smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C(=O)N1CCCC[C@@H]1CN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001025037472 738522899 /nfs/dbraw/zinc/52/28/99/738522899.db2.gz FVGPZQXYSMWRRP-CABCVRRESA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CCc2ccnn2C)C1 ZINC000969698375 732057990 /nfs/dbraw/zinc/05/79/90/732057990.db2.gz CXQPZAQUKMBRMZ-CKEIUWERSA-N 1 3 333.480 0.739 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CCc2ccnn2C)C1 ZINC000969698375 732057994 /nfs/dbraw/zinc/05/79/94/732057994.db2.gz CXQPZAQUKMBRMZ-CKEIUWERSA-N 1 3 333.480 0.739 20 0 ECADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025066561 738591717 /nfs/dbraw/zinc/59/17/17/738591717.db2.gz BDDRRQGLZHTWET-OAHLLOKOSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C1CN(CCCO)C1 ZINC000969834294 732421862 /nfs/dbraw/zinc/42/18/62/732421862.db2.gz WPLVGEKSFCAZEQ-WMLDXEAASA-N 1 3 339.480 0.449 20 0 ECADHO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C1CN(CCCO)C1 ZINC000969834294 732421864 /nfs/dbraw/zinc/42/18/64/732421864.db2.gz WPLVGEKSFCAZEQ-WMLDXEAASA-N 1 3 339.480 0.449 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000969955700 732560439 /nfs/dbraw/zinc/56/04/39/732560439.db2.gz RMXXDPJXDDLSRD-RHSMWYFYSA-N 1 3 344.459 0.818 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000969955700 732560446 /nfs/dbraw/zinc/56/04/46/732560446.db2.gz RMXXDPJXDDLSRD-RHSMWYFYSA-N 1 3 344.459 0.818 20 0 ECADHO CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225364 733068144 /nfs/dbraw/zinc/06/81/44/733068144.db2.gz SPJFOAWUPWYSLU-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225365 733068225 /nfs/dbraw/zinc/06/82/25/733068225.db2.gz SPJFOAWUPWYSLU-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCn2cncn2)CC1 ZINC001167225439 733068667 /nfs/dbraw/zinc/06/86/67/733068667.db2.gz VSYXXXGNILTGGP-OAHLLOKOSA-N 1 3 334.468 0.639 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167232579 733077266 /nfs/dbraw/zinc/07/72/66/733077266.db2.gz IASVSNRDVDIBRW-QGZVFWFLSA-N 1 3 342.459 0.560 20 0 ECADHO C[C@@H]1CCCCN1C(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970490273 733612466 /nfs/dbraw/zinc/61/24/66/733612466.db2.gz NTHVAIPYTGEKMZ-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)CC[N@@H+]1C ZINC000971566618 734754244 /nfs/dbraw/zinc/75/42/44/734754244.db2.gz HUWFUZIZUYMVKD-OWCLPIDISA-N 1 3 334.468 0.541 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)CC[N@H+]1C ZINC000971566618 734754249 /nfs/dbraw/zinc/75/42/49/734754249.db2.gz HUWFUZIZUYMVKD-OWCLPIDISA-N 1 3 334.468 0.541 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCc3cnn(C)c3)C2)CCC1 ZINC000971673279 734938902 /nfs/dbraw/zinc/93/89/02/734938902.db2.gz FRRPFBPUCVZBSG-MRXNPFEDSA-N 1 3 333.480 0.980 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCc3cnn(C)c3)C2)CCC1 ZINC000971673279 734938903 /nfs/dbraw/zinc/93/89/03/734938903.db2.gz FRRPFBPUCVZBSG-MRXNPFEDSA-N 1 3 333.480 0.980 20 0 ECADHO Cn1cc(C[N@H+](CCO)C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC001098562185 735556857 /nfs/dbraw/zinc/55/68/57/735556857.db2.gz TYXSVLKFBPUXQA-UHFFFAOYSA-N 1 3 349.479 0.301 20 0 ECADHO Cn1cc(C[N@@H+](CCO)C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC001098562185 735556859 /nfs/dbraw/zinc/55/68/59/735556859.db2.gz TYXSVLKFBPUXQA-UHFFFAOYSA-N 1 3 349.479 0.301 20 0 ECADHO Cc1nc(C)n(CCN2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001006399433 751350070 /nfs/dbraw/zinc/35/00/70/751350070.db2.gz KHWUFUYLMSXOHY-MRXNPFEDSA-N 1 3 348.495 0.769 20 0 ECADHO Cc1nc(C)n(CCN2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001006399433 751350076 /nfs/dbraw/zinc/35/00/76/751350076.db2.gz KHWUFUYLMSXOHY-MRXNPFEDSA-N 1 3 348.495 0.769 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC001006407224 751358202 /nfs/dbraw/zinc/35/82/02/751358202.db2.gz KMUIFIXBSVFHPG-UHFFFAOYSA-N 1 3 346.475 0.904 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)CCN2CCCC2=O)C1 ZINC000972330104 735953071 /nfs/dbraw/zinc/95/30/71/735953071.db2.gz DNPFBBCIPUHXAU-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)CCN2CCCC2=O)C1 ZINC000972330104 735953078 /nfs/dbraw/zinc/95/30/78/735953078.db2.gz DNPFBBCIPUHXAU-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000972330782 735955947 /nfs/dbraw/zinc/95/59/47/735955947.db2.gz HEATWWXUPHWFDG-RDJZCZTQSA-N 1 3 346.475 0.902 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000972330782 735955949 /nfs/dbraw/zinc/95/59/49/735955949.db2.gz HEATWWXUPHWFDG-RDJZCZTQSA-N 1 3 346.475 0.902 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCc3ccnn3C)C2)C1 ZINC000972335988 735963652 /nfs/dbraw/zinc/96/36/52/735963652.db2.gz TXLAYCABKZFSQC-WBVHZDCISA-N 1 3 333.480 0.837 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCc3ccnn3C)C2)C1 ZINC000972335988 735963655 /nfs/dbraw/zinc/96/36/55/735963655.db2.gz TXLAYCABKZFSQC-WBVHZDCISA-N 1 3 333.480 0.837 20 0 ECADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167627071 736152532 /nfs/dbraw/zinc/15/25/32/736152532.db2.gz JZJVWCSDELNLHW-OAHLLOKOSA-N 1 3 326.485 0.824 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001023128511 736523690 /nfs/dbraw/zinc/52/36/90/736523690.db2.gz HXYOPFXSGDBIEL-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](C(N)=O)N1CCC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706993 737223568 /nfs/dbraw/zinc/22/35/68/737223568.db2.gz GBGDPIXQBGVDHI-CHWSQXEVSA-N 1 3 333.436 0.463 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706993 737223570 /nfs/dbraw/zinc/22/35/70/737223570.db2.gz GBGDPIXQBGVDHI-CHWSQXEVSA-N 1 3 333.436 0.463 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706993 737223574 /nfs/dbraw/zinc/22/35/74/737223574.db2.gz GBGDPIXQBGVDHI-CHWSQXEVSA-N 1 3 333.436 0.463 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]21)C1CC1 ZINC000972647980 737249513 /nfs/dbraw/zinc/24/95/13/737249513.db2.gz CZHFCFAGQVSYDG-NUJGCVRESA-N 1 3 348.491 0.482 20 0 ECADHO CN1CCC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178558 737800232 /nfs/dbraw/zinc/80/02/32/737800232.db2.gz AXKZUWHTLFANOC-DZGCQCFKSA-N 1 3 333.436 0.401 20 0 ECADHO O=C(N1CCC[C@H](CNCc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC001024238866 737845600 /nfs/dbraw/zinc/84/56/00/737845600.db2.gz QSWXTMNXCSJFRI-CYBMUJFWSA-N 1 3 335.477 0.962 20 0 ECADHO Cn1ccc(CNC[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001024239732 737846304 /nfs/dbraw/zinc/84/63/04/737846304.db2.gz ZJGIOFDEAOFMOU-HNNXBMFYSA-N 1 3 331.464 0.844 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001104676243 739456476 /nfs/dbraw/zinc/45/64/76/739456476.db2.gz BBTDCTIJBKMKCI-BRWVUGGUSA-N 1 3 348.495 0.837 20 0 ECADHO CCOC(=O)c1cn(C)c2c1ncnc2NC(=N)NCCCC[NH3+] ZINC001167878040 751506443 /nfs/dbraw/zinc/50/64/43/751506443.db2.gz NLCHCWJAKDVFRJ-UHFFFAOYSA-N 1 3 333.396 0.820 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025967442 740282463 /nfs/dbraw/zinc/28/24/63/740282463.db2.gz XTMJHNKNGCADGD-AALSBFMBSA-N 1 3 334.464 0.043 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025967442 740282467 /nfs/dbraw/zinc/28/24/67/740282467.db2.gz XTMJHNKNGCADGD-AALSBFMBSA-N 1 3 334.464 0.043 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026040849 740326678 /nfs/dbraw/zinc/32/66/78/740326678.db2.gz LOTIWNLYIVFKFK-GAGVYUBLSA-N 1 3 334.464 0.138 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026040849 740326681 /nfs/dbraw/zinc/32/66/81/740326681.db2.gz LOTIWNLYIVFKFK-GAGVYUBLSA-N 1 3 334.464 0.138 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026088641 740363440 /nfs/dbraw/zinc/36/34/40/740363440.db2.gz FLPGRKMBHZMQNN-XFIYOXNOSA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026088641 740363443 /nfs/dbraw/zinc/36/34/43/740363443.db2.gz FLPGRKMBHZMQNN-XFIYOXNOSA-N 1 3 334.464 0.184 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(=O)N4CCC4)[C@@H]3C2)CCC1 ZINC001026285423 740747196 /nfs/dbraw/zinc/74/71/96/740747196.db2.gz ZVSIREURSGTXOC-ARFHVFGLSA-N 1 3 348.491 0.530 20 0 ECADHO O=C(C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]12)N1CCC1 ZINC001026365618 741063885 /nfs/dbraw/zinc/06/38/85/741063885.db2.gz YRFOFUCWPWLIRV-VHDGCEQUSA-N 1 3 331.420 0.011 20 0 ECADHO Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]23)cn1 ZINC001026366517 741067391 /nfs/dbraw/zinc/06/73/91/741067391.db2.gz MFAIKMDYTDMSSA-HYVNUMGLSA-N 1 3 342.447 0.755 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000974277068 741222219 /nfs/dbraw/zinc/22/22/19/741222219.db2.gz NRYBTJUGRXMNLL-BMFZPTHFSA-N 1 3 336.480 0.433 20 0 ECADHO Cc1nnc(CN[C@@H]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]23)[nH]1 ZINC001026400586 741235870 /nfs/dbraw/zinc/23/58/70/741235870.db2.gz LVVPHZNIUWAIIE-RBSFLKMASA-N 1 3 344.463 0.536 20 0 ECADHO COc1nccc(CNC2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001026605141 741605892 /nfs/dbraw/zinc/60/58/92/741605892.db2.gz FFHSANXTKIADRW-NFOMZHRRSA-N 1 3 347.463 0.954 20 0 ECADHO COc1nccc(CNC2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001026605141 741605895 /nfs/dbraw/zinc/60/58/95/741605895.db2.gz FFHSANXTKIADRW-NFOMZHRRSA-N 1 3 347.463 0.954 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000974410541 741638590 /nfs/dbraw/zinc/63/85/90/741638590.db2.gz UVSLDBREUKJZMY-XUWVNRHRSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000974410541 741638594 /nfs/dbraw/zinc/63/85/94/741638594.db2.gz UVSLDBREUKJZMY-XUWVNRHRSA-N 1 3 336.480 0.576 20 0 ECADHO COc1ccc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001026852920 741969618 /nfs/dbraw/zinc/96/96/18/741969618.db2.gz UATSLBXMKSWNSC-IIAWOOMASA-N 1 3 347.463 0.764 20 0 ECADHO COc1ccc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001026852920 741969620 /nfs/dbraw/zinc/96/96/20/741969620.db2.gz UATSLBXMKSWNSC-IIAWOOMASA-N 1 3 347.463 0.764 20 0 ECADHO CCc1nnc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1C ZINC001027064673 742433900 /nfs/dbraw/zinc/43/39/00/742433900.db2.gz IWHPBZMXXNABKY-CABCVRRESA-N 1 3 348.495 0.657 20 0 ECADHO CCc1nnc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1C ZINC001027064673 742433903 /nfs/dbraw/zinc/43/39/03/742433903.db2.gz IWHPBZMXXNABKY-CABCVRRESA-N 1 3 348.495 0.657 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2c(C)nnn2CC)C1)N(C)C ZINC001027070267 742482569 /nfs/dbraw/zinc/48/25/69/742482569.db2.gz NJBYBOWSCUANDH-CABCVRRESA-N 1 3 336.484 0.885 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001027091411 742525057 /nfs/dbraw/zinc/52/50/57/742525057.db2.gz MFLVOXNLTGTBQE-ZIAGYGMSSA-N 1 3 333.436 0.307 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001027139538 742719490 /nfs/dbraw/zinc/71/94/90/742719490.db2.gz LBGTVSGGFMAULV-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)c1ccncc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001028934422 742908745 /nfs/dbraw/zinc/90/87/45/742908745.db2.gz DSTLFIHEWZOHCA-ZDUSSCGKSA-N 1 3 345.447 0.478 20 0 ECADHO CN(C)c1ccncc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001028934422 742908751 /nfs/dbraw/zinc/90/87/51/742908751.db2.gz DSTLFIHEWZOHCA-ZDUSSCGKSA-N 1 3 345.447 0.478 20 0 ECADHO C[C@H](NC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nncn1C ZINC001027173377 743005178 /nfs/dbraw/zinc/00/51/78/743005178.db2.gz OYSGUHFLMSIUGX-KBPBESRZSA-N 1 3 332.452 0.410 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001027217876 743195588 /nfs/dbraw/zinc/19/55/88/743195588.db2.gz RDOHGUYDLOCYKY-NVXWUHKLSA-N 1 3 348.491 0.674 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217871 743195745 /nfs/dbraw/zinc/19/57/45/743195745.db2.gz RBLQCAWWLVIUOI-HNNXBMFYSA-N 1 3 334.468 0.640 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000997242373 743396816 /nfs/dbraw/zinc/39/68/16/743396816.db2.gz GUACHPCNZDZPRB-CQSZACIVSA-N 1 3 333.436 0.462 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000997242373 743396819 /nfs/dbraw/zinc/39/68/19/743396819.db2.gz GUACHPCNZDZPRB-CQSZACIVSA-N 1 3 333.436 0.462 20 0 ECADHO O=C(CN1CCCC1)N1CCC([NH2+][C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000997304233 743467173 /nfs/dbraw/zinc/46/71/73/743467173.db2.gz ZUKWSOZFGMRKRW-KRWDZBQOSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000997611742 743708939 /nfs/dbraw/zinc/70/89/39/743708939.db2.gz GOPNGIVCXVVCFP-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000997613511 743710233 /nfs/dbraw/zinc/71/02/33/743710233.db2.gz NZCYKPZZZUGPOI-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO COc1nccc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001020588727 751851387 /nfs/dbraw/zinc/85/13/87/751851387.db2.gz KQAZUYSBTPWVCE-QEJZJMRPSA-N 1 3 333.436 0.564 20 0 ECADHO COc1nccc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001020588727 751851391 /nfs/dbraw/zinc/85/13/91/751851391.db2.gz KQAZUYSBTPWVCE-QEJZJMRPSA-N 1 3 333.436 0.564 20 0 ECADHO C[C@H](NC(=O)c1ccn2c[nH+]cc2c1)C1CCN(CC(N)=O)CC1 ZINC000997659510 743735713 /nfs/dbraw/zinc/73/57/13/743735713.db2.gz NGABTUHRNXKMBF-LBPRGKRZSA-N 1 3 329.404 0.650 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020592948 751866090 /nfs/dbraw/zinc/86/60/90/751866090.db2.gz SWBKQDLKKNFBCC-CYUUQNCZSA-N 1 3 334.468 0.541 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020592948 751866101 /nfs/dbraw/zinc/86/61/01/751866101.db2.gz SWBKQDLKKNFBCC-CYUUQNCZSA-N 1 3 334.468 0.541 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)CC[N@@H+]1C ZINC000988333672 751869897 /nfs/dbraw/zinc/86/98/97/751869897.db2.gz VFTWTXALEKQYRC-SYAUCNOPSA-N 1 3 347.463 0.788 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)CC[N@H+]1C ZINC000988333672 751869910 /nfs/dbraw/zinc/86/99/10/751869910.db2.gz VFTWTXALEKQYRC-SYAUCNOPSA-N 1 3 347.463 0.788 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081639 743967025 /nfs/dbraw/zinc/96/70/25/743967025.db2.gz KXXZEDVOTDBSEE-PBHICJAKSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081639 743967027 /nfs/dbraw/zinc/96/70/27/743967027.db2.gz KXXZEDVOTDBSEE-PBHICJAKSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998083595 743968805 /nfs/dbraw/zinc/96/88/05/743968805.db2.gz WOMVUDGXKRFKBX-ZBFHGGJFSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998083595 743968808 /nfs/dbraw/zinc/96/88/08/743968808.db2.gz WOMVUDGXKRFKBX-ZBFHGGJFSA-N 1 3 333.480 0.946 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]21 ZINC000976507524 744038042 /nfs/dbraw/zinc/03/80/42/744038042.db2.gz MNFDYOWXWVDYKE-BQJWPVKWSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]21 ZINC000976507524 744038047 /nfs/dbraw/zinc/03/80/47/744038047.db2.gz MNFDYOWXWVDYKE-BQJWPVKWSA-N 1 3 348.491 0.526 20 0 ECADHO COc1nccc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998271759 744090770 /nfs/dbraw/zinc/09/07/70/744090770.db2.gz IOROWMCJICVTRM-OAHLLOKOSA-N 1 3 347.463 0.765 20 0 ECADHO COc1nccc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998271759 744090775 /nfs/dbraw/zinc/09/07/75/744090775.db2.gz IOROWMCJICVTRM-OAHLLOKOSA-N 1 3 347.463 0.765 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC000976606360 744114458 /nfs/dbraw/zinc/11/44/58/744114458.db2.gz DXBJOGZTIVBQRX-DEQQHWRFSA-N 1 3 345.447 0.256 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC000976606360 744114463 /nfs/dbraw/zinc/11/44/63/744114463.db2.gz DXBJOGZTIVBQRX-DEQQHWRFSA-N 1 3 345.447 0.256 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976668818 744202068 /nfs/dbraw/zinc/20/20/68/744202068.db2.gz XPQUBCYEZADYLH-ZOFXXKQRSA-N 1 3 348.491 0.386 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976668818 744202070 /nfs/dbraw/zinc/20/20/70/744202070.db2.gz XPQUBCYEZADYLH-ZOFXXKQRSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000998554692 744225111 /nfs/dbraw/zinc/22/51/11/744225111.db2.gz ZTTGWTFZZFLFJQ-OFLPRAFFSA-N 1 3 344.459 0.959 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000998725199 744299514 /nfs/dbraw/zinc/29/95/14/744299514.db2.gz VOJRXFBVSFGYEI-IAGOWNOFSA-N 1 3 344.459 0.960 20 0 ECADHO Cn1nccc1CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999169163 744546459 /nfs/dbraw/zinc/54/64/59/744546459.db2.gz IYDQJPPMYHMRTM-RDJZCZTQSA-N 1 3 331.464 0.843 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)C1 ZINC000977212088 744790475 /nfs/dbraw/zinc/79/04/75/744790475.db2.gz WXMVOUCYLNKCFB-CNGORYIKSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H](O)CN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977300619 744846010 /nfs/dbraw/zinc/84/60/10/744846010.db2.gz FTEONDLMELCMRF-UKRRQHHQSA-N 1 3 337.468 0.266 20 0 ECADHO CC(C)(C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC000999870386 744971669 /nfs/dbraw/zinc/97/16/69/744971669.db2.gz FXDZBEFHYSFUAE-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO Cn1nncc1CN[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999873065 744977655 /nfs/dbraw/zinc/97/76/55/744977655.db2.gz RWGLNFMNEAVLGX-AWEZNQCLSA-N 1 3 334.468 0.770 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCC(C)CC2)C1 ZINC000999885348 745003251 /nfs/dbraw/zinc/00/32/51/745003251.db2.gz NVFYRRWWVVAXLO-GOEBONIOSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCC(C)CC2)C1 ZINC000999885348 745003257 /nfs/dbraw/zinc/00/32/57/745003257.db2.gz NVFYRRWWVVAXLO-GOEBONIOSA-N 1 3 336.480 0.243 20 0 ECADHO Cn1cc(CCN2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)cn1 ZINC000977472758 745063473 /nfs/dbraw/zinc/06/34/73/745063473.db2.gz HKZNQCIWONARHQ-INIZCTEOSA-N 1 3 345.491 0.885 20 0 ECADHO C[C@@H]([NH2+][C@H]1CCN(C)C1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173271 745214324 /nfs/dbraw/zinc/21/43/24/745214324.db2.gz NKSLWZIOONCJSG-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001000186615 745322974 /nfs/dbraw/zinc/32/29/74/745322974.db2.gz UHBYBEWCFZZUFV-QGZVFWFLSA-N 1 3 348.491 0.530 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001000189198 745325338 /nfs/dbraw/zinc/32/53/38/745325338.db2.gz DBEGYUUXLGHRTL-LSDHHAIUSA-N 1 3 334.468 0.863 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001000189198 745325342 /nfs/dbraw/zinc/32/53/42/745325342.db2.gz DBEGYUUXLGHRTL-LSDHHAIUSA-N 1 3 334.468 0.863 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)n1 ZINC001000189139 745325385 /nfs/dbraw/zinc/32/53/85/745325385.db2.gz CVTGHHYWIRPSCK-PBHICJAKSA-N 1 3 348.495 0.817 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001000190700 745326097 /nfs/dbraw/zinc/32/60/97/745326097.db2.gz HGEUEOAFKWFJPS-WBVHZDCISA-N 1 3 346.475 0.808 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001000190687 745326485 /nfs/dbraw/zinc/32/64/85/745326485.db2.gz HGEUEOAFKWFJPS-DOTOQJQBSA-N 1 3 346.475 0.808 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC2(C3CCN([C@H]4CCCNC4=O)CC3)CC2)C1 ZINC001000332711 745433291 /nfs/dbraw/zinc/43/32/91/745433291.db2.gz JRCZDRVBOWRFHL-HOCLYGCPSA-N 1 3 348.491 0.578 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC2(C3CCN([C@H]4CCCNC4=O)CC3)CC2)C1 ZINC001000332711 745433292 /nfs/dbraw/zinc/43/32/92/745433292.db2.gz JRCZDRVBOWRFHL-HOCLYGCPSA-N 1 3 348.491 0.578 20 0 ECADHO CC(C)N1CC[C@H](N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000713250 745716675 /nfs/dbraw/zinc/71/66/75/745716675.db2.gz WIKMEYNPONIQLB-HOTGVXAUSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCn3cncn3)C2)C1 ZINC001027576081 745718279 /nfs/dbraw/zinc/71/82/79/745718279.db2.gz JXMDYCMEUWZXSN-CVEARBPZSA-N 1 3 334.468 0.543 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)C1 ZINC001027576081 745718282 /nfs/dbraw/zinc/71/82/82/745718282.db2.gz JXMDYCMEUWZXSN-CVEARBPZSA-N 1 3 334.468 0.543 20 0 ECADHO CO[C@H](C)CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574579 752042046 /nfs/dbraw/zinc/04/20/46/752042046.db2.gz CXUVWYDDYBGVAU-KFWWJZLASA-N 1 3 337.468 0.672 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001000916436 745895864 /nfs/dbraw/zinc/89/58/64/745895864.db2.gz ICYCCVWSUOMJLG-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001000916436 745895870 /nfs/dbraw/zinc/89/58/70/745895870.db2.gz ICYCCVWSUOMJLG-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001001007393 745972233 /nfs/dbraw/zinc/97/22/33/745972233.db2.gz JFRUIBNSIGTOMI-HZPDHXFCSA-N 1 3 334.468 0.733 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001001007467 745972487 /nfs/dbraw/zinc/97/24/87/745972487.db2.gz KPJVFJSPWHSDPQ-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CCN(CCc2cnn(C)c2)CC1 ZINC001001153499 746119702 /nfs/dbraw/zinc/11/97/02/746119702.db2.gz VZYPAHDRSPWXMW-MAUKXSAKSA-N 1 3 345.491 0.909 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(CCc2cnn(C)c2)CC1 ZINC001001153499 746119705 /nfs/dbraw/zinc/11/97/05/746119705.db2.gz VZYPAHDRSPWXMW-MAUKXSAKSA-N 1 3 345.491 0.909 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC2=CCN(CCCN3CCCC3=O)CC2)C1 ZINC001001446504 746384313 /nfs/dbraw/zinc/38/43/13/746384313.db2.gz PTWPYUQFJRFEOT-QGZVFWFLSA-N 1 3 348.491 0.699 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(CCCN3CCCC3=O)CC2)C1 ZINC001001446504 746384319 /nfs/dbraw/zinc/38/43/19/746384319.db2.gz PTWPYUQFJRFEOT-QGZVFWFLSA-N 1 3 348.491 0.699 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027652568 746581344 /nfs/dbraw/zinc/58/13/44/746581344.db2.gz RZUNWZNQMGUMNI-JKSUJKDBSA-N 1 3 334.468 0.543 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027652568 746581350 /nfs/dbraw/zinc/58/13/50/746581350.db2.gz RZUNWZNQMGUMNI-JKSUJKDBSA-N 1 3 334.468 0.543 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087908512 746635187 /nfs/dbraw/zinc/63/51/87/746635187.db2.gz FDIYFRYXPJFJIF-PMPSAXMXSA-N 1 3 332.452 0.153 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087908512 746635190 /nfs/dbraw/zinc/63/51/90/746635190.db2.gz FDIYFRYXPJFJIF-PMPSAXMXSA-N 1 3 332.452 0.153 20 0 ECADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001758482 746694917 /nfs/dbraw/zinc/69/49/17/746694917.db2.gz FPZBCQQTDUNSHJ-CWRNSKLLSA-N 1 3 338.496 0.809 20 0 ECADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001758482 746694919 /nfs/dbraw/zinc/69/49/19/746694919.db2.gz FPZBCQQTDUNSHJ-CWRNSKLLSA-N 1 3 338.496 0.809 20 0 ECADHO CN1CC[C@H](N2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001001798278 746731849 /nfs/dbraw/zinc/73/18/49/746731849.db2.gz QRVBMNKXXJXFOA-INIZCTEOSA-N 1 3 336.480 0.387 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)nn1 ZINC000984805438 746961222 /nfs/dbraw/zinc/96/12/22/746961222.db2.gz SNMSJPBXXWEOQZ-IIAWOOMASA-N 1 3 347.463 0.811 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001002170523 747050671 /nfs/dbraw/zinc/05/06/71/747050671.db2.gz QIPOJJQVDVVCTF-HOTGVXAUSA-N 1 3 345.447 0.544 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001002170523 747050680 /nfs/dbraw/zinc/05/06/80/747050680.db2.gz QIPOJJQVDVVCTF-HOTGVXAUSA-N 1 3 345.447 0.544 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088106391 747392471 /nfs/dbraw/zinc/39/24/71/747392471.db2.gz YJQDXQAYSIJDRP-BBWFWOEESA-N 1 3 346.479 0.543 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088106391 747392474 /nfs/dbraw/zinc/39/24/74/747392474.db2.gz YJQDXQAYSIJDRP-BBWFWOEESA-N 1 3 346.479 0.543 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@@H]2CCc3ncnn32)CC1 ZINC000985332266 747716980 /nfs/dbraw/zinc/71/69/80/747716980.db2.gz KYFLVIHVCRSLQS-HOTGVXAUSA-N 1 3 346.479 0.782 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@@H]2CCc3ncnn32)CC1 ZINC000985332266 747716984 /nfs/dbraw/zinc/71/69/84/747716984.db2.gz KYFLVIHVCRSLQS-HOTGVXAUSA-N 1 3 346.479 0.782 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002829556 747844811 /nfs/dbraw/zinc/84/48/11/747844811.db2.gz YTTNBMIPUIKVJJ-MRXNPFEDSA-N 1 3 332.452 0.201 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CCN(C)C1=O ZINC001029777968 748350615 /nfs/dbraw/zinc/35/06/15/748350615.db2.gz XANHJENJYKSWQJ-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001003322995 748426961 /nfs/dbraw/zinc/42/69/61/748426961.db2.gz DCZAWHBQJZECNJ-ZBFHGGJFSA-N 1 3 347.463 0.647 20 0 ECADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985551908 748470641 /nfs/dbraw/zinc/47/06/41/748470641.db2.gz BAHIQMPPXNSBDK-IRXDYDNUSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)COCC[NH+](C)C ZINC001067626289 748534510 /nfs/dbraw/zinc/53/45/10/748534510.db2.gz ODRVYOOTPBIZLG-UHFFFAOYSA-N 1 3 344.500 0.212 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001067626315 748557996 /nfs/dbraw/zinc/55/79/96/748557996.db2.gz RMPIFJZZZMMUGJ-UHFFFAOYSA-N 1 3 340.512 0.975 20 0 ECADHO Cn1ccc(CN2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)cc1=O ZINC001003544254 748666743 /nfs/dbraw/zinc/66/67/43/748666743.db2.gz MKWLAPFFKZLVEW-UHFFFAOYSA-N 1 3 346.475 0.808 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)C1 ZINC001003626516 748739919 /nfs/dbraw/zinc/73/99/19/748739919.db2.gz RKPLWZBRYSLFKB-OAHLLOKOSA-N 1 3 346.475 0.808 20 0 ECADHO CN(CC(N)=O)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000985646064 748784292 /nfs/dbraw/zinc/78/42/92/748784292.db2.gz GTPWKKRALOROHI-QGZVFWFLSA-N 1 3 342.459 0.607 20 0 ECADHO CN(CC(N)=O)C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000985646064 748784293 /nfs/dbraw/zinc/78/42/93/748784293.db2.gz GTPWKKRALOROHI-QGZVFWFLSA-N 1 3 342.459 0.607 20 0 ECADHO C[N@H+](C[C@@H]1CCNC(=O)CC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675946 748851622 /nfs/dbraw/zinc/85/16/22/748851622.db2.gz ZGUDICGSMUAINE-AWEZNQCLSA-N 1 3 347.463 0.791 20 0 ECADHO C[N@@H+](C[C@@H]1CCNC(=O)CC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675946 748851628 /nfs/dbraw/zinc/85/16/28/748851628.db2.gz ZGUDICGSMUAINE-AWEZNQCLSA-N 1 3 347.463 0.791 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001088380282 748969027 /nfs/dbraw/zinc/96/90/27/748969027.db2.gz DKUAKYGBUHGUSM-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC001029861585 748993937 /nfs/dbraw/zinc/99/39/37/748993937.db2.gz PUKNJFXJQKAGDF-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001088384079 748998147 /nfs/dbraw/zinc/99/81/47/748998147.db2.gz VVRGTXYLFPEJLR-CVEARBPZSA-N 1 3 336.484 0.979 20 0 ECADHO Cn1cc(CCN2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC001003974995 749097869 /nfs/dbraw/zinc/09/78/69/749097869.db2.gz PQNJEDMVPXYPMT-UHFFFAOYSA-N 1 3 331.464 0.639 20 0 ECADHO CN(CC(=O)N1CCCC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985786968 749102444 /nfs/dbraw/zinc/10/24/44/749102444.db2.gz GRNHPHZISMFSAX-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CC(=O)N1CCCC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985786968 749102449 /nfs/dbraw/zinc/10/24/49/749102449.db2.gz GRNHPHZISMFSAX-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(NC1CCN(CCN2CCCC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001003982903 749106184 /nfs/dbraw/zinc/10/61/84/749106184.db2.gz DWWZZBFHEKBRNU-UHFFFAOYSA-N 1 3 334.464 0.285 20 0 ECADHO CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000985793137 749111357 /nfs/dbraw/zinc/11/13/57/749111357.db2.gz UQLBSVJZUCCYAT-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000985793137 749111365 /nfs/dbraw/zinc/11/13/65/749111365.db2.gz UQLBSVJZUCCYAT-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO Cn1ccc(CN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1=O ZINC001004145762 749257393 /nfs/dbraw/zinc/25/73/93/749257393.db2.gz UATXLANEJKGKAN-OAHLLOKOSA-N 1 3 332.448 0.418 20 0 ECADHO Cn1ccc(CN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1=O ZINC001004145762 749257398 /nfs/dbraw/zinc/25/73/98/749257398.db2.gz UATXLANEJKGKAN-OAHLLOKOSA-N 1 3 332.448 0.418 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001059674361 749337908 /nfs/dbraw/zinc/33/79/08/749337908.db2.gz NBYJLGFHNPFDBI-CABCVRRESA-N 1 3 347.463 0.567 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059674361 749337915 /nfs/dbraw/zinc/33/79/15/749337915.db2.gz NBYJLGFHNPFDBI-CABCVRRESA-N 1 3 347.463 0.567 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC001059678053 749388616 /nfs/dbraw/zinc/38/86/16/749388616.db2.gz NSWHPALYHUAFGI-JKSUJKDBSA-N 1 3 336.480 0.389 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC001059678053 749388620 /nfs/dbraw/zinc/38/86/20/749388620.db2.gz NSWHPALYHUAFGI-JKSUJKDBSA-N 1 3 336.480 0.389 20 0 ECADHO CN(Cc1cnn(C)c1)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001029888620 749422818 /nfs/dbraw/zinc/42/28/18/749422818.db2.gz IHKNHSBRAUOIBO-OAHLLOKOSA-N 1 3 331.464 0.796 20 0 ECADHO Cc1nn(C)cc1CN(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001029902726 749525753 /nfs/dbraw/zinc/52/57/53/749525753.db2.gz VVNDVMNKSYZGON-JKSUJKDBSA-N 1 3 333.480 0.961 20 0 ECADHO Cc1nn(C)cc1CN(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001029902726 749525760 /nfs/dbraw/zinc/52/57/60/749525760.db2.gz VVNDVMNKSYZGON-JKSUJKDBSA-N 1 3 333.480 0.961 20 0 ECADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C[C@@H]1CCc2ncnn21 ZINC001029904556 749535490 /nfs/dbraw/zinc/53/54/90/749535490.db2.gz YDUTWIXCEHEQBW-HOTGVXAUSA-N 1 3 346.479 0.642 20 0 ECADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C[C@@H]1CCc2ncnn21 ZINC001029904556 749535494 /nfs/dbraw/zinc/53/54/94/749535494.db2.gz YDUTWIXCEHEQBW-HOTGVXAUSA-N 1 3 346.479 0.642 20 0 ECADHO CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904400 749538890 /nfs/dbraw/zinc/53/88/90/749538890.db2.gz VDFGNEMNWANUJH-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904400 749538896 /nfs/dbraw/zinc/53/88/96/749538896.db2.gz VDFGNEMNWANUJH-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004475991 749545730 /nfs/dbraw/zinc/54/57/30/749545730.db2.gz WJERPXICKWIBMM-HZPDHXFCSA-N 1 3 336.480 0.659 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004475991 749545735 /nfs/dbraw/zinc/54/57/35/749545735.db2.gz WJERPXICKWIBMM-HZPDHXFCSA-N 1 3 336.480 0.659 20 0 ECADHO Cc1nnc(CNC[C@@H]2C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000980691508 749977907 /nfs/dbraw/zinc/97/79/07/749977907.db2.gz DXCWDWMIJTVJFC-OCCSQVGLSA-N 1 3 334.468 0.782 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1)C1CC1 ZINC001029971241 750155918 /nfs/dbraw/zinc/15/59/18/750155918.db2.gz SPHHXPQCBZHPHJ-CVEARBPZSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1)C1CC1 ZINC001029971241 750155920 /nfs/dbraw/zinc/15/59/20/750155920.db2.gz SPHHXPQCBZHPHJ-CVEARBPZSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001005186202 750344129 /nfs/dbraw/zinc/34/41/29/750344129.db2.gz YSCKOULMIIQFTE-IRXDYDNUSA-N 1 3 349.479 0.261 20 0 ECADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCN1C(=O)CN1CCCC1 ZINC000987517201 750924381 /nfs/dbraw/zinc/92/43/81/750924381.db2.gz HUNXBOZNTRRPAO-RHSMWYFYSA-N 1 3 344.459 0.960 20 0 ECADHO Cn1nccc1CCN1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028118374 751008852 /nfs/dbraw/zinc/00/88/52/751008852.db2.gz YTSUKTBDKUUMHC-QGZVFWFLSA-N 1 3 333.480 0.885 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)CC[N@@H+]1C ZINC000981776041 751087156 /nfs/dbraw/zinc/08/71/56/751087156.db2.gz DLPHKOGSYHHUEB-HZPDHXFCSA-N 1 3 346.479 0.543 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)CC[N@H+]1C ZINC000981776041 751087160 /nfs/dbraw/zinc/08/71/60/751087160.db2.gz DLPHKOGSYHHUEB-HZPDHXFCSA-N 1 3 346.479 0.543 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001020933581 752358815 /nfs/dbraw/zinc/35/88/15/752358815.db2.gz JVGZCGPKPUJLIP-HDJSIYSDSA-N 1 3 331.420 0.318 20 0 ECADHO Cn1cc(CN2CC[C@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001028545471 753123736 /nfs/dbraw/zinc/12/37/36/753123736.db2.gz QXDXFELMODIURY-RHSMWYFYSA-N 1 3 331.464 0.700 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051504670 762233834 /nfs/dbraw/zinc/23/38/34/762233834.db2.gz UCUAXEJKWJSXHI-OCCSQVGLSA-N 1 3 335.452 0.566 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051509163 762245232 /nfs/dbraw/zinc/24/52/32/762245232.db2.gz INYFUBDSOQHWDC-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CC(N)=O)CCC1)N(C)C ZINC001105566681 753837710 /nfs/dbraw/zinc/83/77/10/753837710.db2.gz RNYVAQUAMXALHW-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001168335498 754628979 /nfs/dbraw/zinc/62/89/79/754628979.db2.gz KWXJXRJYENEXJV-HUUCEWRRSA-N 1 3 336.480 0.625 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC001168344480 754759308 /nfs/dbraw/zinc/75/93/08/754759308.db2.gz CGQXELXYZMFILE-HNNXBMFYSA-N 1 3 348.495 0.982 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983306944 755121034 /nfs/dbraw/zinc/12/10/34/755121034.db2.gz VMMJEOUHXAEVQQ-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)n1 ZINC000983325037 755215478 /nfs/dbraw/zinc/21/54/78/755215478.db2.gz FGKXZARXEJSLKM-QEJZJMRPSA-N 1 3 333.436 0.564 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001030020183 755577641 /nfs/dbraw/zinc/57/76/41/755577641.db2.gz RLKPVPZJLCQSHW-BHYGNILZSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001010328883 756009254 /nfs/dbraw/zinc/00/92/54/756009254.db2.gz YNOJBDTZFZXHPE-UONOGXRCSA-N 1 3 347.463 0.647 20 0 ECADHO CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076469001 756543993 /nfs/dbraw/zinc/54/39/93/756543993.db2.gz NQBIQNSXYPUTSO-HRCADAONSA-N 1 3 346.475 0.236 20 0 ECADHO CC1CCN(CC(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001011159618 757065230 /nfs/dbraw/zinc/06/52/30/757065230.db2.gz ZWQWLWTWEKHMOS-INIZCTEOSA-N 1 3 336.480 0.341 20 0 ECADHO CC1CCN(CC(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001011159618 757065240 /nfs/dbraw/zinc/06/52/40/757065240.db2.gz ZWQWLWTWEKHMOS-INIZCTEOSA-N 1 3 336.480 0.341 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C1CCC1 ZINC001011281846 757399590 /nfs/dbraw/zinc/39/95/90/757399590.db2.gz RRSQTCZFNNBUIR-UHFFFAOYSA-N 1 3 348.491 0.770 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC000996340683 757411524 /nfs/dbraw/zinc/41/15/24/757411524.db2.gz MGJLZNQEZUVNRU-HNNXBMFYSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000996342691 757413681 /nfs/dbraw/zinc/41/36/81/757413681.db2.gz GOHYZNHKSQWHLT-MRXNPFEDSA-N 1 3 348.491 0.816 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000996428533 757653792 /nfs/dbraw/zinc/65/37/92/757653792.db2.gz GOVYSFOITIQPPZ-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001076971129 757782085 /nfs/dbraw/zinc/78/20/85/757782085.db2.gz QPLWOUWRZCEDRL-UXLLHSPISA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001076971129 757782091 /nfs/dbraw/zinc/78/20/91/757782091.db2.gz QPLWOUWRZCEDRL-UXLLHSPISA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001076973847 757812554 /nfs/dbraw/zinc/81/25/54/757812554.db2.gz CIILXYTZXQBZBN-ZNMIVQPWSA-N 1 3 326.485 0.535 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001076973847 757812567 /nfs/dbraw/zinc/81/25/67/757812567.db2.gz CIILXYTZXQBZBN-ZNMIVQPWSA-N 1 3 326.485 0.535 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001021702384 757823579 /nfs/dbraw/zinc/82/35/79/757823579.db2.gz NDCNZZJIGTWLGX-YQQAZPJKSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001021702384 757823589 /nfs/dbraw/zinc/82/35/89/757823589.db2.gz NDCNZZJIGTWLGX-YQQAZPJKSA-N 1 3 348.491 0.482 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2C1)N(C)C ZINC001049067159 757862925 /nfs/dbraw/zinc/86/29/25/757862925.db2.gz QUKWDKMNUDGBEQ-FZKCQIBNSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2C1)N(C)C ZINC001049067159 757862934 /nfs/dbraw/zinc/86/29/34/757862934.db2.gz QUKWDKMNUDGBEQ-FZKCQIBNSA-N 1 3 336.480 0.338 20 0 ECADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1N[C@@H]1CCCNC1=O ZINC000996517846 757924488 /nfs/dbraw/zinc/92/44/88/757924488.db2.gz AXYWZCLIUDGHSI-ZIAGYGMSSA-N 1 3 334.464 0.187 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001051654404 762602560 /nfs/dbraw/zinc/60/25/60/762602560.db2.gz MPTOHHOQUSQRPX-MRXNPFEDSA-N 1 3 349.479 0.530 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CCO[C@@H](CNCc2cncs2)C1)C1CC1 ZINC001051654405 762602631 /nfs/dbraw/zinc/60/26/31/762602631.db2.gz MQQJHGKNOHABJI-DZGCQCFKSA-N 1 3 338.477 0.800 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022120137 758302907 /nfs/dbraw/zinc/30/29/07/758302907.db2.gz LDFPNVPAQJYADA-FZKCQIBNSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022120137 758302915 /nfs/dbraw/zinc/30/29/15/758302915.db2.gz LDFPNVPAQJYADA-FZKCQIBNSA-N 1 3 334.420 0.583 20 0 ECADHO Cn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)C2)cn1 ZINC001022121172 758307169 /nfs/dbraw/zinc/30/71/69/758307169.db2.gz ZELRKGZUGNZYHZ-TWMKSMIVSA-N 1 3 347.463 0.063 20 0 ECADHO COc1cc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)ccn1 ZINC001049212559 758325304 /nfs/dbraw/zinc/32/53/04/758325304.db2.gz CFUUGHVFAOYKCC-ZACQAIPSSA-N 1 3 344.459 0.932 20 0 ECADHO COc1cc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)ccn1 ZINC001049212559 758325318 /nfs/dbraw/zinc/32/53/18/758325318.db2.gz CFUUGHVFAOYKCC-ZACQAIPSSA-N 1 3 344.459 0.932 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022201495 758412967 /nfs/dbraw/zinc/41/29/67/758412967.db2.gz JMEFOHLJNNETQD-ZNMIVQPWSA-N 1 3 334.468 0.815 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022201495 758412973 /nfs/dbraw/zinc/41/29/73/758412973.db2.gz JMEFOHLJNNETQD-ZNMIVQPWSA-N 1 3 334.468 0.815 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N(C)C ZINC001022217107 758436196 /nfs/dbraw/zinc/43/61/96/758436196.db2.gz FHOWNGKJTJPYKB-HRCADAONSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1)C1CC1 ZINC000996677623 758447951 /nfs/dbraw/zinc/44/79/51/758447951.db2.gz LSDRYRGPCKQCFM-WBVHZDCISA-N 1 3 346.479 0.686 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001060320584 762636794 /nfs/dbraw/zinc/63/67/94/762636794.db2.gz WIEAOKQOSPHIGC-NVXWUHKLSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCn2cncn2)CC[N@@H+]1C ZINC001049484418 758793461 /nfs/dbraw/zinc/79/34/61/758793461.db2.gz GTSROIOHEDYWLV-QBPKDAKJSA-N 1 3 346.479 0.684 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCn2cncn2)CC[N@H+]1C ZINC001049484418 758793467 /nfs/dbraw/zinc/79/34/67/758793467.db2.gz GTSROIOHEDYWLV-QBPKDAKJSA-N 1 3 346.479 0.684 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)C1 ZINC001022713776 759028425 /nfs/dbraw/zinc/02/84/25/759028425.db2.gz MJXFPFWBBJBUCN-APIJFGDWSA-N 1 3 332.452 0.344 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001012100736 759409237 /nfs/dbraw/zinc/40/92/37/759409237.db2.gz KRMZRZOFNNTMJE-IUODEOHRSA-N 1 3 333.436 0.400 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)[C@H](C)C1 ZINC001107040873 759497905 /nfs/dbraw/zinc/49/79/05/759497905.db2.gz RBHOCDZXJKFHDE-OAGGEKHMSA-N 1 3 338.496 0.632 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001050063759 759641691 /nfs/dbraw/zinc/64/16/91/759641691.db2.gz UXIKYSMZMPBGGB-BHYGNILZSA-N 1 3 348.491 0.672 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001050063759 759641700 /nfs/dbraw/zinc/64/17/00/759641700.db2.gz UXIKYSMZMPBGGB-BHYGNILZSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047887693 759655578 /nfs/dbraw/zinc/65/55/78/759655578.db2.gz BHQLYXUTUPMBKJ-HUUCEWRRSA-N 1 3 346.479 0.770 20 0 ECADHO CCn1cc(CN[C@@H](C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001048041517 759870876 /nfs/dbraw/zinc/87/08/76/759870876.db2.gz XZSVZXXFSNXXGT-GJZGRUSLSA-N 1 3 346.479 0.720 20 0 ECADHO C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063715 759904932 /nfs/dbraw/zinc/90/49/32/759904932.db2.gz FPWOTUVARNZIIG-DOTOQJQBSA-N 1 3 346.475 0.808 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001054298000 767907719 /nfs/dbraw/zinc/90/77/19/767907719.db2.gz MLGLXJQFXZGYNP-BFYDXBDKSA-N 1 3 348.495 0.932 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050236594 760021855 /nfs/dbraw/zinc/02/18/55/760021855.db2.gz RHMKPZQGKBTAIE-HOCLYGCPSA-N 1 3 347.463 0.790 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)N2CCCCC2)CC[N@@H+]1C ZINC001127707138 760039921 /nfs/dbraw/zinc/03/99/21/760039921.db2.gz VPVAMJMHDZIZTE-OWCLPIDISA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)N2CCCCC2)CC[N@H+]1C ZINC001127707138 760039929 /nfs/dbraw/zinc/03/99/29/760039929.db2.gz VPVAMJMHDZIZTE-OWCLPIDISA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911163838 760224263 /nfs/dbraw/zinc/22/42/63/760224263.db2.gz ZTXRIVLIXFEUNH-KBRIMQKVSA-N 1 3 344.459 0.575 20 0 ECADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CNCc1nncn1C ZINC001048337965 760331590 /nfs/dbraw/zinc/33/15/90/760331590.db2.gz JSZVXFPAGPRTLP-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCCNC2=O)CC3)CCC1 ZINC001050542542 760461603 /nfs/dbraw/zinc/46/16/03/760461603.db2.gz GGVRUGCCDMJSKH-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050554586 760485256 /nfs/dbraw/zinc/48/52/56/760485256.db2.gz AAZREOPMIVGFNJ-GJZGRUSLSA-N 1 3 338.496 0.632 20 0 ECADHO COCC[NH+]1CCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598896 760551542 /nfs/dbraw/zinc/55/15/42/760551542.db2.gz WCODHSVAQYHOEN-WUJZJPHMSA-N 1 3 349.475 0.420 20 0 ECADHO COc1cc(C[NH2+]C[C@H]2CN(C(=O)CN3CCCC3)C[C@H]2C)on1 ZINC001048477884 760591079 /nfs/dbraw/zinc/59/10/79/760591079.db2.gz WUUMVOLQGOIRAS-KGLIPLIRSA-N 1 3 336.436 0.963 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663369 760639762 /nfs/dbraw/zinc/63/97/62/760639762.db2.gz RVFIOGZVAUABJI-HUUCEWRRSA-N 1 3 336.480 0.659 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663369 760639766 /nfs/dbraw/zinc/63/97/66/760639766.db2.gz RVFIOGZVAUABJI-HUUCEWRRSA-N 1 3 336.480 0.659 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCc1ccccc1 ZINC001127066201 760685093 /nfs/dbraw/zinc/68/50/93/760685093.db2.gz JVXMPVUNRVZJRA-QGZVFWFLSA-N 1 3 346.475 0.881 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCc1ccccc1 ZINC001127066201 760685100 /nfs/dbraw/zinc/68/51/00/760685100.db2.gz JVXMPVUNRVZJRA-QGZVFWFLSA-N 1 3 346.475 0.881 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995868173 760698881 /nfs/dbraw/zinc/69/88/81/760698881.db2.gz BALOXBPFANJNGT-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCC[C@H](C)C1 ZINC001127067153 760708529 /nfs/dbraw/zinc/70/85/29/760708529.db2.gz XDRSCNFIOKPMGU-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCC[C@H](C)C1 ZINC001127067153 760708539 /nfs/dbraw/zinc/70/85/39/760708539.db2.gz XDRSCNFIOKPMGU-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560312 760718314 /nfs/dbraw/zinc/71/83/14/760718314.db2.gz GOBXLWWLSPXGSC-RBVVOMGSSA-N 1 3 336.480 0.433 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001050732716 760750585 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CN(CC(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001070890188 784796399 /nfs/dbraw/zinc/79/63/99/784796399.db2.gz XJYJWRAEXMESSM-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(NC[C@H]1CN(CCCF)CCCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC001073605950 786760563 /nfs/dbraw/zinc/76/05/63/786760563.db2.gz ZHOXAKGUILGFPM-JKSUJKDBSA-N 1 3 327.444 0.895 20 0 ECADHO C[C@@H](O)CN1CCCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073651865 786876409 /nfs/dbraw/zinc/87/64/09/786876409.db2.gz JCUILJLQJVUZKC-CVEARBPZSA-N 1 3 339.480 0.450 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001073672583 786933222 /nfs/dbraw/zinc/93/32/22/786933222.db2.gz MZDWBUFFQAXPMS-IRXDYDNUSA-N 1 3 341.496 0.960 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001073672583 786933235 /nfs/dbraw/zinc/93/32/35/786933235.db2.gz MZDWBUFFQAXPMS-IRXDYDNUSA-N 1 3 341.496 0.960 20 0 ECADHO COC[C@@H](C)N1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861374 787386352 /nfs/dbraw/zinc/38/63/52/787386352.db2.gz CFHAVAPXRAFKOF-HUUCEWRRSA-N 1 3 325.453 0.324 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)C1=O ZINC001074687718 787599633 /nfs/dbraw/zinc/59/96/33/787599633.db2.gz BGZGGIGFBKNAJU-CWRNSKLLSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001074018766 787691493 /nfs/dbraw/zinc/69/14/93/787691493.db2.gz GFCVRBQGVRKVLS-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001074089604 787851975 /nfs/dbraw/zinc/85/19/75/787851975.db2.gz FQLFOHKXDPVAKV-ZFWWWQNUSA-N 1 3 349.479 0.956 20 0 ECADHO C[C@H]1[C@@H](NCc2cnnn2C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832493 788399543 /nfs/dbraw/zinc/39/95/43/788399543.db2.gz UBBNMEZPCVTQCF-YXWQFLTLSA-N 1 3 334.468 0.624 20 0 ECADHO C[C@H]1[C@@H](NCc2cnnn2C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832493 788399558 /nfs/dbraw/zinc/39/95/58/788399558.db2.gz UBBNMEZPCVTQCF-YXWQFLTLSA-N 1 3 334.468 0.624 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001072669289 788551458 /nfs/dbraw/zinc/55/14/58/788551458.db2.gz VOCWJEBGPIONMP-GOEBONIOSA-N 1 3 338.496 0.632 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001072743085 788694421 /nfs/dbraw/zinc/69/44/21/788694421.db2.gz ZKAXAYFHTWUCND-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001072743085 788694422 /nfs/dbraw/zinc/69/44/22/788694422.db2.gz ZKAXAYFHTWUCND-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCN1CCCC1=O)C2)N(C)C ZINC001072851199 788960735 /nfs/dbraw/zinc/96/07/35/788960735.db2.gz NPJUOOAKRVBFCA-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCN1CCCC1=O)C2)N(C)C ZINC001072851199 788960739 /nfs/dbraw/zinc/96/07/39/788960739.db2.gz NPJUOOAKRVBFCA-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001075136653 788963789 /nfs/dbraw/zinc/96/37/89/788963789.db2.gz FSSVWEAPKLXGHC-UONOGXRCSA-N 1 3 335.452 0.790 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]1(C)C[NH2+][C@@H]1CCNC1=O ZINC001075166950 789011208 /nfs/dbraw/zinc/01/12/08/789011208.db2.gz KGTPZDXMXUPOQA-CKEIUWERSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]1(C)C[NH2+][C@H]1CCNC1=O ZINC001075166951 789011762 /nfs/dbraw/zinc/01/17/62/789011762.db2.gz KGTPZDXMXUPOQA-JKIFEVAISA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]1(C)C[NH2+][C@@H]1CCNC1=O ZINC001075168340 789015242 /nfs/dbraw/zinc/01/52/42/789015242.db2.gz XONOEIUWNBOTHE-DDUZABMNSA-N 1 3 336.480 0.433 20 0 ECADHO CN(CCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)[C@H]1CCCN1C ZINC001067009418 792566874 /nfs/dbraw/zinc/56/68/74/792566874.db2.gz RTLLLOPHKMDDLT-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)[C@H](C)NC(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001267422861 837394838 /nfs/dbraw/zinc/39/48/38/837394838.db2.gz REUKWDNEUCCETQ-AWEZNQCLSA-N 1 3 326.485 0.537 20 0 ECADHO CNC(=O)c1ccc(C[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001267429077 837399019 /nfs/dbraw/zinc/39/90/19/837399019.db2.gz NMSVLAXCOSGEBV-HNNXBMFYSA-N 1 3 346.475 0.936 20 0 ECADHO Cc1ncc(CNCCN(C)C(=O)c2cnn(CC[NH+](C)C)c2)cn1 ZINC001267439932 837417651 /nfs/dbraw/zinc/41/76/51/837417651.db2.gz ZSHQCOIFCGBXAJ-UHFFFAOYSA-N 1 3 345.451 0.405 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CCOCCO)C2)CCC1 ZINC001266791249 836309396 /nfs/dbraw/zinc/30/93/96/836309396.db2.gz XECXTPSUSPVSFS-OAHLLOKOSA-N 1 3 327.469 0.308 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001408842692 838634092 /nfs/dbraw/zinc/63/40/92/838634092.db2.gz NVLKPISYYPBFBC-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001408845120 838640634 /nfs/dbraw/zinc/64/06/34/838640634.db2.gz OZNLBVRYOCDLNO-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000428009375 210237332 /nfs/dbraw/zinc/23/73/32/210237332.db2.gz HZVBVZXFJFXKLQ-WBVHZDCISA-N 1 3 336.480 0.088 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000428009375 210237335 /nfs/dbraw/zinc/23/73/35/210237335.db2.gz HZVBVZXFJFXKLQ-WBVHZDCISA-N 1 3 336.480 0.088 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)N1CCC[C@H](C)C1 ZINC000354652662 299086514 /nfs/dbraw/zinc/08/65/14/299086514.db2.gz DRNFVZSWZQOLBP-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCC1 ZINC000354683997 299096114 /nfs/dbraw/zinc/09/61/14/299096114.db2.gz MRINXEUBYGXKOZ-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CCC1 ZINC000354684786 299096944 /nfs/dbraw/zinc/09/69/44/299096944.db2.gz NHOSRHGZFLLOPJ-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CN(C)[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000354711497 299103509 /nfs/dbraw/zinc/10/35/09/299103509.db2.gz LXBKCRMSLRGHJN-IRXDYDNUSA-N 1 3 346.475 0.534 20 0 ECADHO COc1nc(N2CCCN(C)CC2)nc(N2CCC[N@H+](C)CC2)n1 ZINC000426586642 210158041 /nfs/dbraw/zinc/15/80/41/210158041.db2.gz FDWCMNGVASIYEK-UHFFFAOYSA-N 1 3 335.456 0.164 20 0 ECADHO COc1nc(N2CCCN(C)CC2)nc(N2CCC[N@@H+](C)CC2)n1 ZINC000426586642 210158046 /nfs/dbraw/zinc/15/80/46/210158046.db2.gz FDWCMNGVASIYEK-UHFFFAOYSA-N 1 3 335.456 0.164 20 0 ECADHO COc1nc(N2CCCN(C)CC2)nc(N2CCCN(C)CC2)n1 ZINC000426586642 210158040 /nfs/dbraw/zinc/15/80/40/210158040.db2.gz FDWCMNGVASIYEK-UHFFFAOYSA-N 1 3 335.456 0.164 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000423197684 209711362 /nfs/dbraw/zinc/71/13/62/209711362.db2.gz AOPPLOPYCAHDRH-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262115890 296018577 /nfs/dbraw/zinc/01/85/77/296018577.db2.gz VDHYEPWSQWWCDW-IRXDYDNUSA-N 1 3 336.480 0.136 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@@H](C[NH3+])C(C)(C)C)C1 ZINC000420356312 209357968 /nfs/dbraw/zinc/35/79/68/209357968.db2.gz GBNCECSJWKNKCP-CABCVRRESA-N 1 3 328.501 0.422 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@@H](CN)C(C)(C)C)C1 ZINC000420356312 209357969 /nfs/dbraw/zinc/35/79/69/209357969.db2.gz GBNCECSJWKNKCP-CABCVRRESA-N 1 3 328.501 0.422 20 0 ECADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420286875 209347451 /nfs/dbraw/zinc/34/74/51/209347451.db2.gz FWAXADHNQMNGEV-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000420161377 209326799 /nfs/dbraw/zinc/32/67/99/209326799.db2.gz GEUHAYWLFRZCQP-QGZVFWFLSA-N 1 3 348.491 0.889 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000420129486 209315420 /nfs/dbraw/zinc/31/54/20/209315420.db2.gz VDBFTWDLPAUKOB-OAHLLOKOSA-N 1 3 326.485 0.810 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420116350 209310813 /nfs/dbraw/zinc/31/08/13/209310813.db2.gz GYRQJCZDMWSBGP-CJNGLKHVSA-N 1 3 332.448 0.923 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000420104534 209307931 /nfs/dbraw/zinc/30/79/31/209307931.db2.gz PKAKFCQLQZIMHR-RKVPGOIHSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420084468 209301943 /nfs/dbraw/zinc/30/19/43/209301943.db2.gz MRJBJGWKLJGQRR-HNNXBMFYSA-N 1 3 326.485 0.666 20 0 ECADHO NC[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000420069292 209296849 /nfs/dbraw/zinc/29/68/49/209296849.db2.gz VQNOEKLPZCVLNP-VNQPRFMTSA-N 1 3 334.464 0.315 20 0 ECADHO NC[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000420069292 209296852 /nfs/dbraw/zinc/29/68/52/209296852.db2.gz VQNOEKLPZCVLNP-VNQPRFMTSA-N 1 3 334.464 0.315 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420064900 209295342 /nfs/dbraw/zinc/29/53/42/209295342.db2.gz PCKGXUIXBPEVDO-TZMCWYRMSA-N 1 3 340.468 0.205 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000420030897 209282885 /nfs/dbraw/zinc/28/28/85/209282885.db2.gz QJAMIWCHYOKMEH-OAHLLOKOSA-N 1 3 334.464 0.473 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000420020576 209279304 /nfs/dbraw/zinc/27/93/04/209279304.db2.gz FYAIMJHXZLBQHO-ZDUSSCGKSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000420014746 209278107 /nfs/dbraw/zinc/27/81/07/209278107.db2.gz KMWLWMAMOBHTNV-INIZCTEOSA-N 1 3 346.475 0.617 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077924182 781952605 /nfs/dbraw/zinc/95/26/05/781952605.db2.gz WUQTZWJFEHZLBW-USXIJHARSA-N 1 3 339.480 0.305 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419939515 209254436 /nfs/dbraw/zinc/25/44/36/209254436.db2.gz YIAOOSDBMASUBQ-HOCLYGCPSA-N 1 3 332.448 0.651 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419939515 209254440 /nfs/dbraw/zinc/25/44/40/209254440.db2.gz YIAOOSDBMASUBQ-HOCLYGCPSA-N 1 3 332.448 0.651 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419913982 209247639 /nfs/dbraw/zinc/24/76/39/209247639.db2.gz NKRKJDFZOXVXAM-CVEARBPZSA-N 1 3 332.448 0.745 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419877876 209235104 /nfs/dbraw/zinc/23/51/04/209235104.db2.gz QBMPIIZQEHTJDO-HUUCEWRRSA-N 1 3 326.485 0.953 20 0 ECADHO CN(C)CCN(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000356100423 299352027 /nfs/dbraw/zinc/35/20/27/299352027.db2.gz SPXPKJYGESCRQP-UHFFFAOYSA-N 1 3 327.473 0.132 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000419844155 209222272 /nfs/dbraw/zinc/22/22/72/209222272.db2.gz KYDUTYHROOROBP-UHFFFAOYSA-N 1 3 326.466 0.364 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000419771740 209201434 /nfs/dbraw/zinc/20/14/34/209201434.db2.gz GWAZDWGURBBBDR-RRFJBIMHSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@@H]1C[NH3+] ZINC000419768328 209201023 /nfs/dbraw/zinc/20/10/23/209201023.db2.gz CJDPCLBOQOROEE-QLFBSQMISA-N 1 3 338.496 0.666 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)NC[C@H]2C)CC1=O ZINC000356370723 299382546 /nfs/dbraw/zinc/38/25/46/299382546.db2.gz OIDCKUBWULMWRX-ZJIFWQFVSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)NC[C@H]2C)CC1=O ZINC000356370723 299382549 /nfs/dbraw/zinc/38/25/49/299382549.db2.gz OIDCKUBWULMWRX-ZJIFWQFVSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419694490 209174365 /nfs/dbraw/zinc/17/43/65/209174365.db2.gz JOXPKYRFJPQZCQ-ARFHVFGLSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CCC[NH2+]C1 ZINC000419694271 209174090 /nfs/dbraw/zinc/17/40/90/209174090.db2.gz KDYOBGXDMOQCPI-KSSFIOAISA-N 1 3 336.480 0.625 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000419656738 209160055 /nfs/dbraw/zinc/16/00/55/209160055.db2.gz IQZHYJYSONFKTF-XIRDDKMYSA-N 1 3 344.459 0.715 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000419645597 209155578 /nfs/dbraw/zinc/15/55/78/209155578.db2.gz PHGLRWCSGXKUMG-DLBZAZTESA-N 1 3 346.475 0.998 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000419643779 209154455 /nfs/dbraw/zinc/15/44/55/209154455.db2.gz NSZOKBGGIPQEHY-GOSISDBHSA-N 1 3 332.448 0.562 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000419640353 209153259 /nfs/dbraw/zinc/15/32/59/209153259.db2.gz KIALZSVLVDXQDQ-OAHLLOKOSA-N 1 3 346.475 0.870 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419590374 209134039 /nfs/dbraw/zinc/13/40/39/209134039.db2.gz QFAXSICFKQIDGY-JKSUJKDBSA-N 1 3 332.448 0.793 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000445867290 211123361 /nfs/dbraw/zinc/12/33/61/211123361.db2.gz UIPQDXPIMWTRRO-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](N2CCCC2)C1 ZINC000433371608 296306834 /nfs/dbraw/zinc/30/68/34/296306834.db2.gz BSOGCWCEZYOGEH-LSDHHAIUSA-N 1 3 332.452 0.903 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420042487 284878773 /nfs/dbraw/zinc/87/87/73/284878773.db2.gz QUKUTOKZDYEALG-STQMWFEESA-N 1 3 328.457 0.016 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN[C@@H](C[NH3+])C(C)(C)C)C1 ZINC000420356313 209357472 /nfs/dbraw/zinc/35/74/72/209357472.db2.gz GBNCECSJWKNKCP-GJZGRUSLSA-N 1 3 328.501 0.422 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CN)C(C)(C)C)C1 ZINC000420356313 209357478 /nfs/dbraw/zinc/35/74/78/209357478.db2.gz GBNCECSJWKNKCP-GJZGRUSLSA-N 1 3 328.501 0.422 20 0 ECADHO COCCN1CCC(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433396424 210522766 /nfs/dbraw/zinc/52/27/66/210522766.db2.gz WIEAEMCMXNHCOR-AWEZNQCLSA-N 1 3 336.440 0.043 20 0 ECADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000415868688 208591291 /nfs/dbraw/zinc/59/12/91/208591291.db2.gz QNHMZZXINJYRCD-INIZCTEOSA-N 1 3 348.447 0.572 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(CCN)Cc2ccccc2)CC1 ZINC000418836750 208868518 /nfs/dbraw/zinc/86/85/18/208868518.db2.gz QJZZZIVLTAUPDX-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000418860650 208882228 /nfs/dbraw/zinc/88/22/28/208882228.db2.gz LYPKDPTWFYBETE-HOCLYGCPSA-N 1 3 334.464 0.991 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)N1CCC(C)CC1 ZINC000419155943 209003918 /nfs/dbraw/zinc/00/39/18/209003918.db2.gz IZXRAHSUJLJHPU-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO CCOC(=O)N1CCC(NC(=[NH2+])NCCCN(C)CCOC)CC1 ZINC000496117780 255072604 /nfs/dbraw/zinc/07/26/04/255072604.db2.gz BBPVPHYHJFRYAW-UHFFFAOYSA-N 1 3 343.472 0.690 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419175172 209013887 /nfs/dbraw/zinc/01/38/87/209013887.db2.gz WUMUQDRGAHXUQU-INIZCTEOSA-N 1 3 338.496 0.955 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419232022 209035586 /nfs/dbraw/zinc/03/55/86/209035586.db2.gz TZBHWJHICJMREW-RDJZCZTQSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419336567 209062313 /nfs/dbraw/zinc/06/23/13/209062313.db2.gz PQRYNWYFQLNWLK-WMLDXEAASA-N 1 3 344.459 0.573 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419336569 209063282 /nfs/dbraw/zinc/06/32/82/209063282.db2.gz PQRYNWYFQLNWLK-YOEHRIQHSA-N 1 3 344.459 0.573 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)C1 ZINC000419370823 209071232 /nfs/dbraw/zinc/07/12/32/209071232.db2.gz KEUQBRXCZNEUMF-HOTGVXAUSA-N 1 3 338.496 0.679 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000419368063 209071780 /nfs/dbraw/zinc/07/17/80/209071780.db2.gz FDDPZGNCHVMSOJ-SJORKVTESA-N 1 3 346.475 0.534 20 0 ECADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000183075422 289068935 /nfs/dbraw/zinc/06/89/35/289068935.db2.gz JYRCPQXNBFHUTI-CVEARBPZSA-N 1 3 331.526 0.958 20 0 ECADHO Cc1csc(=O)n1CCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211013 296634553 /nfs/dbraw/zinc/63/45/53/296634553.db2.gz KQDBNISMZIYKPF-UHFFFAOYSA-N 1 3 328.482 0.560 20 0 ECADHO COCCCS(=O)(=O)NCCN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300524 292371671 /nfs/dbraw/zinc/37/16/71/292371671.db2.gz WOGLECMHUNRSKR-AWEZNQCLSA-N 1 3 333.498 0.406 20 0 ECADHO COCCCS(=O)(=O)NCCN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300525 292371767 /nfs/dbraw/zinc/37/17/67/292371767.db2.gz WOGLECMHUNRSKR-CQSZACIVSA-N 1 3 333.498 0.406 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324790 292372603 /nfs/dbraw/zinc/37/26/03/292372603.db2.gz HPORXZOTWMRHPZ-LSDHHAIUSA-N 1 3 333.498 0.264 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419414995 298530934 /nfs/dbraw/zinc/53/09/34/298530934.db2.gz FOBVBXTWQZZALU-ZBFHGGJFSA-N 1 3 332.448 0.745 20 0 ECADHO CC(C)c1nnnn1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174151363 164866977 /nfs/dbraw/zinc/86/69/77/164866977.db2.gz VLAQSRIPLRYRLI-UHFFFAOYSA-N 1 3 349.483 0.471 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262245314 165316248 /nfs/dbraw/zinc/31/62/48/165316248.db2.gz LEGRYRJMLKAZSZ-HLLBOEOZSA-N 1 3 335.423 0.734 20 0 ECADHO O=C(C1C[NH2+]C1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000262300981 165325840 /nfs/dbraw/zinc/32/58/40/165325840.db2.gz ZSJZIEZAZOZUNV-MRXNPFEDSA-N 1 3 343.475 0.662 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262328858 165330546 /nfs/dbraw/zinc/33/05/46/165330546.db2.gz DSLIGKGXDYHQLK-HOTGVXAUSA-N 1 3 346.431 0.174 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262328860 165330895 /nfs/dbraw/zinc/33/08/95/165330895.db2.gz DSLIGKGXDYHQLK-JKSUJKDBSA-N 1 3 346.431 0.174 20 0 ECADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C)N2CCN(CC)CC2)C1(C)C ZINC000262769336 165385007 /nfs/dbraw/zinc/38/50/07/165385007.db2.gz HDVJXHFUXYTEFE-HDMKZQKVSA-N 1 3 340.512 0.661 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1=O ZINC000262848806 165394460 /nfs/dbraw/zinc/39/44/60/165394460.db2.gz JUWIWQYREVRVNZ-KLHDSHLOSA-N 1 3 336.480 0.576 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])Cc1ccccc1 ZINC000419383001 209074829 /nfs/dbraw/zinc/07/48/29/209074829.db2.gz ZQKHOCXPBBBZPA-ZBFHGGJFSA-N 1 3 334.464 0.519 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000419411782 209085584 /nfs/dbraw/zinc/08/55/84/209085584.db2.gz BSWXIKBKBWHWOK-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+](CC)CCO)cc2)CC1 ZINC000183977904 263158135 /nfs/dbraw/zinc/15/81/35/263158135.db2.gz QBYVYWAXFBOGRV-UHFFFAOYSA-N 1 3 348.491 0.873 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+](CC)CCO)cc2)CC1 ZINC000183977904 263158137 /nfs/dbraw/zinc/15/81/37/263158137.db2.gz QBYVYWAXFBOGRV-UHFFFAOYSA-N 1 3 348.491 0.873 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[NH2+]CC2CC2)cc1 ZINC000262668048 263177292 /nfs/dbraw/zinc/17/72/92/263177292.db2.gz LHVIFSGQWBOHCY-UHFFFAOYSA-N 1 3 332.448 0.594 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000285101455 264278989 /nfs/dbraw/zinc/27/89/89/264278989.db2.gz XJIFNNNITUEVCD-UHFFFAOYSA-N 1 3 336.436 0.380 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccnn1CCN(C)C ZINC000297596615 265163627 /nfs/dbraw/zinc/16/36/27/265163627.db2.gz ZLGYFLGBHUVKRN-CQSZACIVSA-N 1 3 340.472 0.923 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418848938 276788822 /nfs/dbraw/zinc/78/88/22/276788822.db2.gz LZOQKVUVMMMVNY-CVEARBPZSA-N 1 3 332.448 0.144 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC000262468700 277104992 /nfs/dbraw/zinc/10/49/92/277104992.db2.gz WORQEJVTVAHQLD-BZSNNMDCSA-N 1 3 346.475 0.204 20 0 ECADHO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000429766835 277244073 /nfs/dbraw/zinc/24/40/73/277244073.db2.gz AOUDKRJHGHSRHI-ZACQAIPSSA-N 1 3 346.475 0.910 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418616607 278221886 /nfs/dbraw/zinc/22/18/86/278221886.db2.gz MPMICDRAOSMRBB-LSDHHAIUSA-N 1 3 326.485 0.911 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411025039 279034000 /nfs/dbraw/zinc/03/40/00/279034000.db2.gz MBCBSWGARYRLRK-HOTGVXAUSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411025039 279034002 /nfs/dbraw/zinc/03/40/02/279034002.db2.gz MBCBSWGARYRLRK-HOTGVXAUSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411025037 279038221 /nfs/dbraw/zinc/03/82/21/279038221.db2.gz MBCBSWGARYRLRK-CVEARBPZSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411025037 279038222 /nfs/dbraw/zinc/03/82/22/279038222.db2.gz MBCBSWGARYRLRK-CVEARBPZSA-N 1 3 338.496 0.728 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC3(CC[NH2+]3)CC2)CC1=O ZINC000424050550 279304035 /nfs/dbraw/zinc/30/40/35/279304035.db2.gz DODIMTZFZLVRGC-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000459996633 279323304 /nfs/dbraw/zinc/32/33/04/279323304.db2.gz QPXCNKCULDJLEY-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459996633 279323308 /nfs/dbraw/zinc/32/33/08/279323308.db2.gz QPXCNKCULDJLEY-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])N1CCC(C)CC1 ZINC000419373675 280240087 /nfs/dbraw/zinc/24/00/87/280240087.db2.gz OQQCKPLLLCEUEK-CABCVRRESA-N 1 3 326.485 0.713 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416004176 281821003 /nfs/dbraw/zinc/82/10/03/281821003.db2.gz ICLWDSOFXBOPDX-NWDGAFQWSA-N 1 3 340.390 0.658 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343638354 437609916 /nfs/dbraw/zinc/60/99/16/437609916.db2.gz KOHFOCDSPMQOHD-BBRMVZONSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343638354 437609920 /nfs/dbraw/zinc/60/99/20/437609920.db2.gz KOHFOCDSPMQOHD-BBRMVZONSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000495555219 289136297 /nfs/dbraw/zinc/13/62/97/289136297.db2.gz KKLSFGMGRJCQLR-CQSZACIVSA-N 1 3 342.484 0.948 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417688994 295226148 /nfs/dbraw/zinc/22/61/48/295226148.db2.gz SJCHFULZAXHXGX-UKRRQHHQSA-N 1 3 337.468 0.252 20 0 ECADHO [NH3+]CCCOC1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000430564644 295232017 /nfs/dbraw/zinc/23/20/17/295232017.db2.gz BVQSCBMJYGUSSX-UHFFFAOYSA-N 1 3 338.452 0.681 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423222797 295414779 /nfs/dbraw/zinc/41/47/79/295414779.db2.gz CPQLDHVETDUPNT-ULQDDVLXSA-N 1 3 348.491 0.531 20 0 ECADHO CN1CCN(CC2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000333846420 297151907 /nfs/dbraw/zinc/15/19/07/297151907.db2.gz PFEHSKZFZKTDCN-KRWDZBQOSA-N 1 3 337.512 0.798 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333886146 297154134 /nfs/dbraw/zinc/15/41/34/297154134.db2.gz XGPHGIHAKSDGSE-CABCVRRESA-N 1 3 325.501 0.700 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[NH2+]1 ZINC000333897073 297154871 /nfs/dbraw/zinc/15/48/71/297154871.db2.gz ZGJYVXBFKPZNLT-ILXRZTDVSA-N 1 3 337.468 0.075 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)N1CCN(C)CC1 ZINC000333928566 297155826 /nfs/dbraw/zinc/15/58/26/297155826.db2.gz XMNSXMMXUMDWBJ-JYJNAYRXSA-N 1 3 325.501 0.556 20 0 ECADHO CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000334126766 297164625 /nfs/dbraw/zinc/16/46/25/297164625.db2.gz PZAVWWITPFRCSS-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO CC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000334126766 297164627 /nfs/dbraw/zinc/16/46/27/297164627.db2.gz PZAVWWITPFRCSS-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000339741560 297376448 /nfs/dbraw/zinc/37/64/48/297376448.db2.gz DNACPILYJKKGEJ-QGZVFWFLSA-N 1 3 344.459 0.671 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C)CN1CCCCC1)C[NH+]1CCCC1 ZINC000340766152 297537513 /nfs/dbraw/zinc/53/75/13/297537513.db2.gz HPCDPARZSOPBQB-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000342753703 297772233 /nfs/dbraw/zinc/77/22/33/297772233.db2.gz HGIOMLXKNASEPL-OAGGEKHMSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C2(C[NH3+])CCOCC2)C[C@@H](C)O1 ZINC000344495587 298029267 /nfs/dbraw/zinc/02/92/67/298029267.db2.gz YZBBIHBIQDSURT-HUUCEWRRSA-N 1 3 327.469 0.748 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351689597 298817025 /nfs/dbraw/zinc/81/70/25/298817025.db2.gz ZOLGWTQWRNUOFE-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000353261586 299029339 /nfs/dbraw/zinc/02/93/39/299029339.db2.gz KYFZFVIOMGCKNZ-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000353261586 299029341 /nfs/dbraw/zinc/02/93/41/299029341.db2.gz KYFZFVIOMGCKNZ-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000360854274 300032552 /nfs/dbraw/zinc/03/25/52/300032552.db2.gz YNDPSZGCVLAEMC-IXDOHACOSA-N 1 3 336.480 0.977 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000361866409 300135546 /nfs/dbraw/zinc/13/55/46/300135546.db2.gz ADQIALYUAQNIKI-BZUAXINKSA-N 1 3 336.480 0.624 20 0 ECADHO CCOC(=O)c1nn(C)cc1CN[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363812472 300296102 /nfs/dbraw/zinc/29/61/02/300296102.db2.gz DCGXSYOZMRMGEC-HNNXBMFYSA-N 1 3 349.479 0.855 20 0 ECADHO CCOC(=O)c1nn(C)cc1CN[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363812472 300296104 /nfs/dbraw/zinc/29/61/04/300296104.db2.gz DCGXSYOZMRMGEC-HNNXBMFYSA-N 1 3 349.479 0.855 20 0 ECADHO COc1cc(CNC(=O)[C@]2(F)CC[NH2+]C2)ccc1OCCN(C)C ZINC000364863229 300395738 /nfs/dbraw/zinc/39/57/38/300395738.db2.gz AWYOYDXMUWYQEN-KRWDZBQOSA-N 1 3 339.411 0.953 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)CN1CCN(C)CC1 ZINC000074656978 436133372 /nfs/dbraw/zinc/13/33/72/436133372.db2.gz BJNNLRHKMGULIN-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)CN1CCN(C)CC1 ZINC000074656978 436133377 /nfs/dbraw/zinc/13/33/77/436133377.db2.gz BJNNLRHKMGULIN-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000377593681 301362891 /nfs/dbraw/zinc/36/28/91/301362891.db2.gz REIYIOFEZUAQQW-AWEZNQCLSA-N 1 3 337.424 0.588 20 0 ECADHO CC1CC[NH+](CCCNC(=O)NCC2(O)CCN(C)CC2)CC1 ZINC000077756354 436251637 /nfs/dbraw/zinc/25/16/37/436251637.db2.gz DKYSDXOVDJSGLE-UHFFFAOYSA-N 1 3 326.485 0.864 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ncn(C)n1 ZINC000092378634 436470048 /nfs/dbraw/zinc/47/00/48/436470048.db2.gz SEMLAZGECLCHHM-CQSZACIVSA-N 1 3 337.472 0.373 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ncn(C)n1 ZINC000092378634 436470052 /nfs/dbraw/zinc/47/00/52/436470052.db2.gz SEMLAZGECLCHHM-CQSZACIVSA-N 1 3 337.472 0.373 20 0 ECADHO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000237217011 436726922 /nfs/dbraw/zinc/72/69/22/436726922.db2.gz DVMFYXPPZVIRIQ-OAHLLOKOSA-N 1 3 346.475 0.984 20 0 ECADHO CC(C)[C@@H]1CN(C)CCN1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000246191346 436774257 /nfs/dbraw/zinc/77/42/57/436774257.db2.gz MLJSDACBEKWIDJ-IRXDYDNUSA-N 1 3 339.528 0.852 20 0 ECADHO C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126458224 436787214 /nfs/dbraw/zinc/78/72/14/436787214.db2.gz XBDZAEQXXMAINK-RDJZCZTQSA-N 1 3 340.512 0.628 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2CC[NH2+]CC2)CC1=O ZINC000247452599 436795141 /nfs/dbraw/zinc/79/51/41/436795141.db2.gz ZYHMWNDLYGVKJZ-JKSUJKDBSA-N 1 3 336.480 0.435 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000262222032 436915601 /nfs/dbraw/zinc/91/56/01/436915601.db2.gz JOKAIVOZJJOSBZ-UHFFFAOYSA-N 1 3 335.448 0.999 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000261604032 436878708 /nfs/dbraw/zinc/87/87/08/436878708.db2.gz CGBNGEZZSLNXNS-GDBMZVCRSA-N 1 3 330.432 0.727 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000420430095 302805928 /nfs/dbraw/zinc/80/59/28/302805928.db2.gz VJWZXKIVXPKPBW-KBPBESRZSA-N 1 3 343.497 0.610 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1Cl ZINC000262443121 436933504 /nfs/dbraw/zinc/93/35/04/436933504.db2.gz TVMSVWRZVKRXNT-WCQYABFASA-N 1 3 327.812 0.942 20 0 ECADHO O=C(CNC[C@H]1CCCO1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000168846455 436942909 /nfs/dbraw/zinc/94/29/09/436942909.db2.gz CTGNYEWUYASNCS-MRXNPFEDSA-N 1 3 339.480 0.906 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000262976851 436946893 /nfs/dbraw/zinc/94/68/93/436946893.db2.gz YGQLMACQMMDFIA-MSOLQXFVSA-N 1 3 348.491 0.845 20 0 ECADHO NC(=O)[C@H]1CCCN(Cc2cccc(CNC3=[NH+]CCCN3)c2)C1 ZINC000263110836 436951597 /nfs/dbraw/zinc/95/15/97/436951597.db2.gz AXBYHHQSEBWEIT-INIZCTEOSA-N 1 3 329.448 0.823 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC000331511240 437109938 /nfs/dbraw/zinc/10/99/38/437109938.db2.gz RDUKYEOJLZVVGG-JKSUJKDBSA-N 1 3 337.512 0.962 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000331511240 437109942 /nfs/dbraw/zinc/10/99/42/437109942.db2.gz RDUKYEOJLZVVGG-JKSUJKDBSA-N 1 3 337.512 0.962 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCC3)CC[C@H]21 ZINC000331688846 437144146 /nfs/dbraw/zinc/14/41/46/437144146.db2.gz UFHCNJRCKGVFBS-BZUAXINKSA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCC3)CC[C@H]21 ZINC000331688846 437144151 /nfs/dbraw/zinc/14/41/51/437144151.db2.gz UFHCNJRCKGVFBS-BZUAXINKSA-N 1 3 336.480 0.563 20 0 ECADHO [NH3+][C@H]1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000419678043 303487620 /nfs/dbraw/zinc/48/76/20/303487620.db2.gz OFQDJBKQIWBTBY-HNNXBMFYSA-N 1 3 336.480 0.709 20 0 ECADHO C[C@@H]1C[C@H](CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC000333126939 437259798 /nfs/dbraw/zinc/25/97/98/437259798.db2.gz JCSQIGBTOXKHAF-BZUAXINKSA-N 1 3 345.509 0.501 20 0 ECADHO CN(C)CCN(C)C(=O)c1cncc(C(=O)N(C)CC[NH+](C)C)c1 ZINC000267074433 437285802 /nfs/dbraw/zinc/28/58/02/437285802.db2.gz FGJYDLCWMORVMI-UHFFFAOYSA-N 1 3 335.452 0.349 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000339612114 437479305 /nfs/dbraw/zinc/47/93/05/437479305.db2.gz AANZCSJZOYAPMP-UHFFFAOYSA-N 1 3 326.485 0.822 20 0 ECADHO CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000339630878 437479712 /nfs/dbraw/zinc/47/97/12/437479712.db2.gz IXEWTOJJRXEAQJ-MRXNPFEDSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000339630878 437479714 /nfs/dbraw/zinc/47/97/14/437479714.db2.gz IXEWTOJJRXEAQJ-MRXNPFEDSA-N 1 3 336.480 0.578 20 0 ECADHO CNC(=O)NC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339657611 437485523 /nfs/dbraw/zinc/48/55/23/437485523.db2.gz BEEJHNNDCOCBLC-PBWFPOADSA-N 1 3 326.441 0.406 20 0 ECADHO CNC(=O)NC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339657611 437485531 /nfs/dbraw/zinc/48/55/31/437485531.db2.gz BEEJHNNDCOCBLC-PBWFPOADSA-N 1 3 326.441 0.406 20 0 ECADHO CC[N@H+](CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1)C1CC1 ZINC000185680879 437448299 /nfs/dbraw/zinc/44/82/99/437448299.db2.gz XWCXGYLGYKRTSN-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CC[N@@H+](CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1)C1CC1 ZINC000185680879 437448300 /nfs/dbraw/zinc/44/83/00/437448300.db2.gz XWCXGYLGYKRTSN-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000339667938 437488780 /nfs/dbraw/zinc/48/87/80/437488780.db2.gz LOGMOAOAEDAPOK-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000339666694 437489210 /nfs/dbraw/zinc/48/92/10/437489210.db2.gz JFBXFBQEPKTCPZ-HNNXBMFYSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340481889 437663787 /nfs/dbraw/zinc/66/37/87/437663787.db2.gz UTFKGJHGRMPNQZ-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340481889 437663789 /nfs/dbraw/zinc/66/37/89/437663789.db2.gz UTFKGJHGRMPNQZ-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO COCCN(C)CCCNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000340570226 437699059 /nfs/dbraw/zinc/69/90/59/437699059.db2.gz CLRYALNDMOGPOO-UHFFFAOYSA-N 1 3 342.484 0.060 20 0 ECADHO CC(C)NC(=O)NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000344030022 437720936 /nfs/dbraw/zinc/72/09/36/437720936.db2.gz BOHYAGOSTVWXTI-AWEZNQCLSA-N 1 3 329.489 0.424 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2)C[NH+](C)C ZINC000415271180 437773090 /nfs/dbraw/zinc/77/30/90/437773090.db2.gz PYYRJGZFEFUZKR-LLVKDONJSA-N 1 3 336.411 0.724 20 0 ECADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000423746394 437824030 /nfs/dbraw/zinc/82/40/30/437824030.db2.gz REKSECRHXOLPIR-SJORKVTESA-N 1 3 338.496 0.384 20 0 ECADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000423746394 437824034 /nfs/dbraw/zinc/82/40/34/437824034.db2.gz REKSECRHXOLPIR-SJORKVTESA-N 1 3 338.496 0.384 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423760524 437825952 /nfs/dbraw/zinc/82/59/52/437825952.db2.gz QFMFAWPPXOAFPJ-UKRRQHHQSA-N 1 3 327.469 0.997 20 0 ECADHO CN(C)CCN(Cc1ccccc1F)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423636552 437785635 /nfs/dbraw/zinc/78/56/35/437785635.db2.gz GIOQMWILUOKKQQ-UHFFFAOYSA-N 1 3 348.426 0.970 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000347080707 437828979 /nfs/dbraw/zinc/82/89/79/437828979.db2.gz GGINNFBDPPTOTO-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH3+])Cc1ccco1 ZINC000423650469 437791651 /nfs/dbraw/zinc/79/16/51/437791651.db2.gz QSSZYFUHHFINEU-CQSZACIVSA-N 1 3 336.436 0.510 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000415379325 437794420 /nfs/dbraw/zinc/79/44/20/437794420.db2.gz OELPUSWGVDQIEM-AWEZNQCLSA-N 1 3 334.420 0.434 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000347080710 437829314 /nfs/dbraw/zinc/82/93/14/437829314.db2.gz GGINNFBDPPTOTO-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000415434075 437802292 /nfs/dbraw/zinc/80/22/92/437802292.db2.gz AOUZHGRTKDVLGN-XJKSGUPXSA-N 1 3 348.447 0.761 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)ccc1OCCN(C)C ZINC000415442548 437805266 /nfs/dbraw/zinc/80/52/66/437805266.db2.gz BKFVCFJSSCRKJW-HNNXBMFYSA-N 1 3 348.447 0.727 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000341161322 437806015 /nfs/dbraw/zinc/80/60/15/437806015.db2.gz PDEQJOVVHHMWMQ-RBSFLKMASA-N 1 3 339.484 0.356 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000341161322 437806018 /nfs/dbraw/zinc/80/60/18/437806018.db2.gz PDEQJOVVHHMWMQ-RBSFLKMASA-N 1 3 339.484 0.356 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)CC[C@H]1[NH3+] ZINC000415463741 437809257 /nfs/dbraw/zinc/80/92/57/437809257.db2.gz QIBHHCMIQDXMSO-CZUORRHYSA-N 1 3 348.447 0.761 20 0 ECADHO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423711963 437810226 /nfs/dbraw/zinc/81/02/26/437810226.db2.gz NJRZKHCZIKRADO-DLBZAZTESA-N 1 3 344.459 0.588 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415536314 437815598 /nfs/dbraw/zinc/81/55/98/437815598.db2.gz FBCQADSBGJQEGZ-ZIAGYGMSSA-N 1 3 332.448 0.925 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415870597 437876972 /nfs/dbraw/zinc/87/69/72/437876972.db2.gz PDJHGYXAGQVAMS-JKSUJKDBSA-N 1 3 344.459 0.797 20 0 ECADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N(C)C1CNC1 ZINC000415729342 437848283 /nfs/dbraw/zinc/84/82/83/437848283.db2.gz CEKMGCNYMZBVRS-UHFFFAOYSA-N 1 3 348.447 0.776 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN1C(C)=O ZINC000357159589 437926265 /nfs/dbraw/zinc/92/62/65/437926265.db2.gz RNBLWGWFNDUJKT-SJORKVTESA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN1C(C)=O ZINC000357159589 437926270 /nfs/dbraw/zinc/92/62/70/437926270.db2.gz RNBLWGWFNDUJKT-SJORKVTESA-N 1 3 338.496 0.872 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000342022466 437944197 /nfs/dbraw/zinc/94/41/97/437944197.db2.gz NWQVLAWHWCVXHY-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](C(=O)NCCCN1CCN(c2ccncc2)CC1)C1C[NH2+]C1 ZINC000357252439 437948999 /nfs/dbraw/zinc/94/89/99/437948999.db2.gz CZBPLCLMOLXAHF-HNNXBMFYSA-N 1 3 331.464 0.565 20 0 ECADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424483942 437953900 /nfs/dbraw/zinc/95/39/00/437953900.db2.gz ZGIDNZXDPNVCID-CWRNSKLLSA-N 1 3 336.484 0.977 20 0 ECADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424483942 437953904 /nfs/dbraw/zinc/95/39/04/437953904.db2.gz ZGIDNZXDPNVCID-CWRNSKLLSA-N 1 3 336.484 0.977 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C[C@H]1C ZINC000342087028 437965125 /nfs/dbraw/zinc/96/51/25/437965125.db2.gz NWVWYSQQJOWITQ-YCPHGPKFSA-N 1 3 338.496 0.917 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C[C@H]1C ZINC000342087028 437965130 /nfs/dbraw/zinc/96/51/30/437965130.db2.gz NWVWYSQQJOWITQ-YCPHGPKFSA-N 1 3 338.496 0.917 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417201923 438030694 /nfs/dbraw/zinc/03/06/94/438030694.db2.gz WVNPDBDECNAJJW-DLBZAZTESA-N 1 3 333.480 0.362 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCN2CC)CC1 ZINC000357680354 438041012 /nfs/dbraw/zinc/04/10/12/438041012.db2.gz FGHDWEJKNGYQQQ-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCNCC1 ZINC000417367471 438043194 /nfs/dbraw/zinc/04/31/94/438043194.db2.gz MNWGZEHKUGSZJN-UHFFFAOYSA-N 1 3 332.452 0.209 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000348021171 438000439 /nfs/dbraw/zinc/00/04/39/438000439.db2.gz QSCSFYZUWJYPKK-HUUCEWRRSA-N 1 3 342.484 0.060 20 0 ECADHO O=C(CNCC1CC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417848639 438084944 /nfs/dbraw/zinc/08/49/44/438084944.db2.gz VYEQXLRBGCFCFL-UHFFFAOYSA-N 1 3 332.448 0.909 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1)C1=CCN(C)CC1 ZINC000348761188 438094017 /nfs/dbraw/zinc/09/40/17/438094017.db2.gz IFGPCTLTPRGURI-OAHLLOKOSA-N 1 3 348.491 0.840 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccn1 ZINC000417952511 438095130 /nfs/dbraw/zinc/09/51/30/438095130.db2.gz OJUGXGUNOFFTDR-HIFRSBDPSA-N 1 3 335.452 0.949 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NC[C@H]2CCC[NH2+]C2)ccn1 ZINC000417952517 438095610 /nfs/dbraw/zinc/09/56/10/438095610.db2.gz OJYGNXIYGBNPAQ-HNNXBMFYSA-N 1 3 335.452 0.821 20 0 ECADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417951936 438095656 /nfs/dbraw/zinc/09/56/56/438095656.db2.gz NSDGEUZBBNYGKC-DZGCQCFKSA-N 1 3 335.452 0.819 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3)cc2)C1 ZINC000357903426 438095628 /nfs/dbraw/zinc/09/56/28/438095628.db2.gz GLNUIRYBLLLAME-BMFZPTHFSA-N 1 3 346.431 0.045 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3)cc2)C1 ZINC000357903426 438095632 /nfs/dbraw/zinc/09/56/32/438095632.db2.gz GLNUIRYBLLLAME-BMFZPTHFSA-N 1 3 346.431 0.045 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)nc2)CC1 ZINC000357919576 438099760 /nfs/dbraw/zinc/09/97/60/438099760.db2.gz KNDXZMMNBHMHNM-HUUCEWRRSA-N 1 3 333.436 0.273 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000417511357 438057222 /nfs/dbraw/zinc/05/72/22/438057222.db2.gz YVFAADRNDQPGND-ROUUACIJSA-N 1 3 346.475 0.839 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000417511357 438057228 /nfs/dbraw/zinc/05/72/28/438057228.db2.gz YVFAADRNDQPGND-ROUUACIJSA-N 1 3 346.475 0.839 20 0 ECADHO CCCN(C(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000417741260 438072525 /nfs/dbraw/zinc/07/25/25/438072525.db2.gz AAVYEGOJPLRYCH-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1(C)C ZINC000418169490 438113693 /nfs/dbraw/zinc/11/36/93/438113693.db2.gz MPASJGSYEIPBLD-OAHLLOKOSA-N 1 3 325.501 0.829 20 0 ECADHO O=C(C[C@@H]1CNCCO1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000430781973 438121307 /nfs/dbraw/zinc/12/13/07/438121307.db2.gz GGJRCFKJUYRCFP-MRXNPFEDSA-N 1 3 325.453 0.468 20 0 ECADHO CN(CCCN(C)C(=O)NCCN1CC[NH2+]CC1)Cc1ccco1 ZINC000418293947 438124865 /nfs/dbraw/zinc/12/48/65/438124865.db2.gz GTIKNMRNEUJWIY-UHFFFAOYSA-N 1 3 337.468 0.648 20 0 ECADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418289644 438124902 /nfs/dbraw/zinc/12/49/02/438124902.db2.gz OZQDRIRNURONFD-YESZJQIVSA-N 1 3 337.512 0.653 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418296386 438125173 /nfs/dbraw/zinc/12/51/73/438125173.db2.gz GQBIQKCQIGAWJD-UHFFFAOYSA-N 1 3 337.468 0.078 20 0 ECADHO Cc1c(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000430890457 438126577 /nfs/dbraw/zinc/12/65/77/438126577.db2.gz QNUKHTAUNZJGSH-OAHLLOKOSA-N 1 3 332.452 0.820 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418451743 438147224 /nfs/dbraw/zinc/14/72/24/438147224.db2.gz WMPKIGCEVMRDIV-HNNXBMFYSA-N 1 3 341.500 0.795 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418462506 438147369 /nfs/dbraw/zinc/14/73/69/438147369.db2.gz BNCCATSWXGIRAH-PVAVHDDUSA-N 1 3 334.464 0.763 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000358089100 438149781 /nfs/dbraw/zinc/14/97/81/438149781.db2.gz BUGIRBADPRFAEG-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000358089100 438149784 /nfs/dbraw/zinc/14/97/84/438149784.db2.gz BUGIRBADPRFAEG-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(NCCNc1ccncc1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418690436 438176829 /nfs/dbraw/zinc/17/68/29/438176829.db2.gz WZOVNMDSAKDWAH-DLBZAZTESA-N 1 3 325.416 0.970 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418769236 438183924 /nfs/dbraw/zinc/18/39/24/438183924.db2.gz TUENBOZWBNONGZ-CQSZACIVSA-N 1 3 339.509 0.725 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000349930334 438188965 /nfs/dbraw/zinc/18/89/65/438188965.db2.gz FCNUZYKWBYXJSZ-HZPDHXFCSA-N 1 3 342.484 0.099 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358111488 438156053 /nfs/dbraw/zinc/15/60/53/438156053.db2.gz PDQUKIBUWDMALF-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418580684 438162227 /nfs/dbraw/zinc/16/22/27/438162227.db2.gz SYFYBKDANXGKMO-SZVBFZGTSA-N 1 3 346.475 0.921 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418855815 438220658 /nfs/dbraw/zinc/22/06/58/438220658.db2.gz VOTYPUYRKUGSNR-GDBMZVCRSA-N 1 3 334.464 0.247 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000418866154 438226155 /nfs/dbraw/zinc/22/61/55/438226155.db2.gz NJHOPPMUUSTTQQ-CYBMUJFWSA-N 1 3 326.485 0.857 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000418872398 438228182 /nfs/dbraw/zinc/22/81/82/438228182.db2.gz WNIKZZRGKXCFNI-KGLIPLIRSA-N 1 3 326.485 0.857 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418871891 438228728 /nfs/dbraw/zinc/22/87/28/438228728.db2.gz FLYKRTCXZWPFLT-ULQDDVLXSA-N 1 3 346.475 0.519 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418875274 438229830 /nfs/dbraw/zinc/22/98/30/438229830.db2.gz KFSWXLQEFNTTLZ-MRXNPFEDSA-N 1 3 334.464 0.343 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418875573 438230045 /nfs/dbraw/zinc/23/00/45/438230045.db2.gz KTHMJGKYEQDUAX-HZPDHXFCSA-N 1 3 332.448 0.129 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000350970840 438242990 /nfs/dbraw/zinc/24/29/90/438242990.db2.gz CZPCESBYGBGPCI-RBSFLKMASA-N 1 3 326.485 0.774 20 0 ECADHO COCC1(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC[NH2+]CC1 ZINC000367374360 438201797 /nfs/dbraw/zinc/20/17/97/438201797.db2.gz HVQDVRNVFLHHFB-PMUMKWKESA-N 1 3 339.480 0.651 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418829344 438205052 /nfs/dbraw/zinc/20/50/52/438205052.db2.gz DPFGPUHAIWGDFJ-HZPDHXFCSA-N 1 3 334.464 0.375 20 0 ECADHO CC(C)(CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000418836461 438205875 /nfs/dbraw/zinc/20/58/75/438205875.db2.gz PYSBBXAFDCIKOP-OAHLLOKOSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418969245 438267768 /nfs/dbraw/zinc/26/77/68/438267768.db2.gz VFJFGZKIEZDUMI-DOTOQJQBSA-N 1 3 346.475 0.739 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000418973098 438269418 /nfs/dbraw/zinc/26/94/18/438269418.db2.gz ZVBXPQCPHIRAEB-GDBMZVCRSA-N 1 3 332.448 0.443 20 0 ECADHO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000358661330 438273145 /nfs/dbraw/zinc/27/31/45/438273145.db2.gz JRWUMMWCJSDZOM-AEFFLSMTSA-N 1 3 332.448 0.627 20 0 ECADHO C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000358661330 438273150 /nfs/dbraw/zinc/27/31/50/438273150.db2.gz JRWUMMWCJSDZOM-AEFFLSMTSA-N 1 3 332.448 0.627 20 0 ECADHO CN(CCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)Cc1ccccc1 ZINC000418993591 438277052 /nfs/dbraw/zinc/27/70/52/438277052.db2.gz HENNFDISXPBJHG-KRWDZBQOSA-N 1 3 346.475 0.883 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000418996542 438277851 /nfs/dbraw/zinc/27/78/51/438277851.db2.gz NSACSFDQVZSXRB-UHFFFAOYSA-N 1 3 346.475 0.822 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419022850 438291951 /nfs/dbraw/zinc/29/19/51/438291951.db2.gz IUPJOQIVGAJMQH-QXSJWSMHSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000376832008 438294959 /nfs/dbraw/zinc/29/49/59/438294959.db2.gz UFOSVPKSXLZMCB-CABCVRRESA-N 1 3 334.468 1.535 20 0 ECADHO C[C@H]1CN(CCCNC(=O)NCCOCC[NH+](C)C)CCCO1 ZINC000433464531 438251507 /nfs/dbraw/zinc/25/15/07/438251507.db2.gz CQQHEPLUDAKAJV-HNNXBMFYSA-N 1 3 330.473 0.365 20 0 ECADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC[NH3+] ZINC000419101093 438320744 /nfs/dbraw/zinc/32/07/44/438320744.db2.gz HIKHOLFZRHGOSF-HNNXBMFYSA-N 1 3 332.448 0.478 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419119900 438330985 /nfs/dbraw/zinc/33/09/85/438330985.db2.gz KBLMVKNBMCOSIJ-CQSZACIVSA-N 1 3 326.485 0.810 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351767839 438336415 /nfs/dbraw/zinc/33/64/15/438336415.db2.gz HAVBKVQQMHKKRN-LSDHHAIUSA-N 1 3 342.484 0.060 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000368183319 438297735 /nfs/dbraw/zinc/29/77/35/438297735.db2.gz HESJWHANEKNGAL-ZJIFWQFVSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419030590 438297796 /nfs/dbraw/zinc/29/77/96/438297796.db2.gz TYFUCGABPMHAKQ-QRJUGERDSA-N 1 3 338.496 0.665 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419084487 438315178 /nfs/dbraw/zinc/31/51/78/438315178.db2.gz YRDGJPXRAZYANH-OWCLPIDISA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)N1CCC(C)CC1 ZINC000419373155 438355585 /nfs/dbraw/zinc/35/55/85/438355585.db2.gz NRIVRHBDSAILQO-INIZCTEOSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419433569 438356827 /nfs/dbraw/zinc/35/68/27/438356827.db2.gz ZODCMELTKXJRLZ-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO CC(C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000435361063 438360688 /nfs/dbraw/zinc/36/06/88/438360688.db2.gz CWZHFSRINONQBO-DZGCQCFKSA-N 1 3 339.461 0.985 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)C1 ZINC000419699736 438370312 /nfs/dbraw/zinc/37/03/12/438370312.db2.gz RNHQDXGSKJDIEM-HOTGVXAUSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000420023547 438381173 /nfs/dbraw/zinc/38/11/73/438381173.db2.gz AQVGRCRZKAFMHL-MJBXVCDLSA-N 1 3 340.468 0.016 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000420023547 438381178 /nfs/dbraw/zinc/38/11/78/438381178.db2.gz AQVGRCRZKAFMHL-MJBXVCDLSA-N 1 3 340.468 0.016 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000420059069 438385455 /nfs/dbraw/zinc/38/54/55/438385455.db2.gz KGGBDQGRUUXWON-KBPBESRZSA-N 1 3 340.468 0.160 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C1CCCC1 ZINC000420091582 438385856 /nfs/dbraw/zinc/38/58/56/438385856.db2.gz UXQGLNLVTHWCQZ-JKSUJKDBSA-N 1 3 336.480 0.707 20 0 ECADHO CCCN1CCN(C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC1 ZINC000369158474 438429075 /nfs/dbraw/zinc/42/90/75/438429075.db2.gz XVMFTJSURNIHNA-SFHVURJKSA-N 1 3 335.496 0.736 20 0 ECADHO CN(CCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000369243384 438443260 /nfs/dbraw/zinc/44/32/60/438443260.db2.gz MEYDAMCQQFSRKG-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C1CC1 ZINC000369243384 438443264 /nfs/dbraw/zinc/44/32/64/438443264.db2.gz MEYDAMCQQFSRKG-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO Cc1cc(NC(=O)CCN2CCCC[C@@H]2CNC(=O)CC[NH3+])no1 ZINC000436057920 438396532 /nfs/dbraw/zinc/39/65/32/438396532.db2.gz WYYXVVXYDCHHSE-CYBMUJFWSA-N 1 3 337.424 0.631 20 0 ECADHO CO[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H](C[NH3+])C1 ZINC000420316810 438400166 /nfs/dbraw/zinc/40/01/66/438400166.db2.gz YNSCMWILIAYDPV-KZNAEPCWSA-N 1 3 348.491 0.844 20 0 ECADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000420337714 438400556 /nfs/dbraw/zinc/40/05/56/438400556.db2.gz WYQJJZJTFVEMKL-BRWVUGGUSA-N 1 3 336.480 0.435 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420430990 438407354 /nfs/dbraw/zinc/40/73/54/438407354.db2.gz NSKJWBXKKLQBOS-BXUZGUMPSA-N 1 3 343.497 0.338 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000359325989 438411189 /nfs/dbraw/zinc/41/11/89/438411189.db2.gz UPEFECFKCCCCCO-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CC1 ZINC000359325989 438411192 /nfs/dbraw/zinc/41/11/92/438411192.db2.gz UPEFECFKCCCCCO-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CN(Cc1ccccc1C[N@H+](C)[C@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352816574 438480210 /nfs/dbraw/zinc/48/02/10/438480210.db2.gz PKNKDDMKDFPPLL-MHORFTMASA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccccc1C[N@@H+](C)[C@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352816574 438480216 /nfs/dbraw/zinc/48/02/16/438480216.db2.gz PKNKDDMKDFPPLL-MHORFTMASA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccccc1C[N@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@@H]1O ZINC000352816574 438480219 /nfs/dbraw/zinc/48/02/19/438480219.db2.gz PKNKDDMKDFPPLL-MHORFTMASA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccccc1C[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@@H]1O ZINC000352816574 438480223 /nfs/dbraw/zinc/48/02/23/438480223.db2.gz PKNKDDMKDFPPLL-MHORFTMASA-N 1 3 336.432 0.070 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)[NH+]1CCCCC1 ZINC000359705316 438482522 /nfs/dbraw/zinc/48/25/22/438482522.db2.gz NLAVBZYKLSMBQQ-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCN(CCC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000359736098 438487072 /nfs/dbraw/zinc/48/70/72/438487072.db2.gz NDLGPLRZFGYAFL-MRXNPFEDSA-N 1 3 328.526 0.568 20 0 ECADHO CC[NH+]1CCN(CCNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000438890729 438490615 /nfs/dbraw/zinc/49/06/15/438490615.db2.gz PYZXKZFCEUYALJ-KRWDZBQOSA-N 1 3 343.475 0.791 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000422112220 438521439 /nfs/dbraw/zinc/52/14/39/438521439.db2.gz DUJCFSLXGMSGFV-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000369927175 438530468 /nfs/dbraw/zinc/53/04/68/438530468.db2.gz OHFPGFWOMPDLMR-INIZCTEOSA-N 1 3 338.496 0.587 20 0 ECADHO CC(C)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000369927175 438530470 /nfs/dbraw/zinc/53/04/70/438530470.db2.gz OHFPGFWOMPDLMR-INIZCTEOSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)[NH+]1CCC(C)CC1 ZINC000422262800 438538790 /nfs/dbraw/zinc/53/87/90/438538790.db2.gz ADHPBXRALHJPHZ-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000410473547 438588618 /nfs/dbraw/zinc/58/86/18/438588618.db2.gz VGSFXRKWXOTEFF-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CCn1ccnc1CN(C(=O)CNCCOC)[C@@H]1CC12CC[NH2+]CC2 ZINC000370165645 438557726 /nfs/dbraw/zinc/55/77/26/438557726.db2.gz WILWFXAOKGMUFO-OAHLLOKOSA-N 1 3 349.479 0.610 20 0 ECADHO CCOC(=O)C1([C@@H](C)NCCS(=O)(=O)NC(C)C)CC[NH2+]CC1 ZINC000422937904 438618786 /nfs/dbraw/zinc/61/87/86/438618786.db2.gz DEIWWJXPUBKIMP-CYBMUJFWSA-N 1 3 349.497 0.225 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000423278474 438656481 /nfs/dbraw/zinc/65/64/81/438656481.db2.gz QZJDOZYKPSTDLP-HZPDHXFCSA-N 1 3 338.496 0.905 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000410728276 438642961 /nfs/dbraw/zinc/64/29/61/438642961.db2.gz DRQUGRQSOFWQJI-CABCVRRESA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423189545 438646498 /nfs/dbraw/zinc/64/64/98/438646498.db2.gz MVGHXXPZMIKAHF-MRXNPFEDSA-N 1 3 338.496 0.907 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423358806 438664794 /nfs/dbraw/zinc/66/47/94/438664794.db2.gz CCJFJWJGJVRHBE-UHFFFAOYSA-N 1 3 336.436 0.367 20 0 ECADHO CC(C)[C@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@@H](C)[NH3+] ZINC000423389833 438671505 /nfs/dbraw/zinc/67/15/05/438671505.db2.gz JUEWWQKLKMZIPX-ILXRZTDVSA-N 1 3 326.485 0.665 20 0 ECADHO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)N(C)Cc1ccccc1 ZINC000423413506 438673630 /nfs/dbraw/zinc/67/36/30/438673630.db2.gz ZFWPDRMCMXKLCP-AWEZNQCLSA-N 1 3 330.436 0.877 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000447444682 438676812 /nfs/dbraw/zinc/67/68/12/438676812.db2.gz XIVNZQUMLIRQOZ-HUUCEWRRSA-N 1 3 348.447 0.686 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414698883 438715970 /nfs/dbraw/zinc/71/59/70/438715970.db2.gz IGIBAYBCPREVQL-AWEZNQCLSA-N 1 3 348.447 0.953 20 0 ECADHO CCN(CCNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)C1CC1 ZINC000414868417 438719330 /nfs/dbraw/zinc/71/93/30/438719330.db2.gz ALXQOLQFRGYBNK-UHFFFAOYSA-N 1 3 334.420 0.563 20 0 ECADHO C[C@H](C[C@@H]1CCCO1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000557314915 438798496 /nfs/dbraw/zinc/79/84/96/438798496.db2.gz LBSWBYYSKUYJQT-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000576388796 438780334 /nfs/dbraw/zinc/78/03/34/438780334.db2.gz KBRSBBXCQZMXRB-QKPAOTATSA-N 1 3 334.464 0.140 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000497245819 438784377 /nfs/dbraw/zinc/78/43/77/438784377.db2.gz NLTUQCNXAVOJJL-ZDUSSCGKSA-N 1 3 326.441 0.346 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000556797054 438788889 /nfs/dbraw/zinc/78/88/89/438788889.db2.gz PJBVOKIUCQYZJU-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000556797054 438788892 /nfs/dbraw/zinc/78/88/92/438788892.db2.gz PJBVOKIUCQYZJU-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)C1CCCCC1 ZINC000577054543 438809849 /nfs/dbraw/zinc/80/98/49/438809849.db2.gz AFBXBWJEQUBYHP-QZTJIDSGSA-N 1 3 326.529 0.695 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000577054543 438809851 /nfs/dbraw/zinc/80/98/51/438809851.db2.gz AFBXBWJEQUBYHP-QZTJIDSGSA-N 1 3 326.529 0.695 20 0 ECADHO CN(C)[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)C1CCCCC1 ZINC000577054536 438810377 /nfs/dbraw/zinc/81/03/77/438810377.db2.gz AFBXBWJEQUBYHP-MSOLQXFVSA-N 1 3 326.529 0.695 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000577054536 438810378 /nfs/dbraw/zinc/81/03/78/438810378.db2.gz AFBXBWJEQUBYHP-MSOLQXFVSA-N 1 3 326.529 0.695 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)C[C@H]2N)cn1 ZINC000514855332 438835159 /nfs/dbraw/zinc/83/51/59/438835159.db2.gz JYSNIWYILSBXOK-SCTDSRPQSA-N 1 3 339.443 0.605 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000515003989 438844284 /nfs/dbraw/zinc/84/42/84/438844284.db2.gz LWHLNWFGRNBWFE-UHFFFAOYSA-N 1 3 325.501 0.701 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)C2)C1 ZINC000515165079 438853488 /nfs/dbraw/zinc/85/34/88/438853488.db2.gz UNWBGAUPHPYOTR-FPXQBCRKSA-N 1 3 348.491 0.517 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000578185447 438903044 /nfs/dbraw/zinc/90/30/44/438903044.db2.gz FGKQVQQHCFZQTQ-JJXSEGSLSA-N 1 3 334.464 0.140 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CF)C(=O)OC)CC2)CC1 ZINC000577864637 438878012 /nfs/dbraw/zinc/87/80/12/438878012.db2.gz QJVHQRYTRXWJPF-OAHLLOKOSA-N 1 3 343.443 0.810 20 0 ECADHO COC(=O)CCN1CCC[C@H](N2CCC([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000595895585 438878095 /nfs/dbraw/zinc/87/80/95/438878095.db2.gz PRUQUWDXBUYAOR-HOTGVXAUSA-N 1 3 337.464 0.862 20 0 ECADHO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000577946835 438883095 /nfs/dbraw/zinc/88/30/95/438883095.db2.gz XQLULLWDFQACRB-APWZRJJASA-N 1 3 348.491 0.675 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000564935816 438891088 /nfs/dbraw/zinc/89/10/88/438891088.db2.gz CDGPVXGGMWINCE-UONOGXRCSA-N 1 3 335.452 0.669 20 0 ECADHO CN(C)CCn1ccc(NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)n1 ZINC000578304676 438913099 /nfs/dbraw/zinc/91/30/99/438913099.db2.gz DYVVZFKYEZWDRM-ZDUSSCGKSA-N 1 3 343.435 1.300 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](CC3CC3)CC2)C[C@@H](C)O1 ZINC000516862034 438929284 /nfs/dbraw/zinc/92/92/84/438929284.db2.gz FKUYYQVTFDTCTG-IIDMSEBBSA-N 1 3 325.497 0.921 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(CC3CC3)CC2)C[C@@H](C)O1 ZINC000516862034 438929291 /nfs/dbraw/zinc/92/92/91/438929291.db2.gz FKUYYQVTFDTCTG-IIDMSEBBSA-N 1 3 325.497 0.921 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C[NH+]1CCCCC1 ZINC000578524516 438930338 /nfs/dbraw/zinc/93/03/38/438930338.db2.gz ILOJDMBIQIPEBP-QLFBSQMISA-N 1 3 337.468 0.062 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000459268662 438953412 /nfs/dbraw/zinc/95/34/12/438953412.db2.gz SKMIAMJYPGUJLT-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000459268662 438953416 /nfs/dbraw/zinc/95/34/16/438953416.db2.gz SKMIAMJYPGUJLT-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000517539676 438969048 /nfs/dbraw/zinc/96/90/48/438969048.db2.gz SJOMQJDSGZBGKZ-JKSUJKDBSA-N 1 3 325.501 0.781 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000517539676 438969052 /nfs/dbraw/zinc/96/90/52/438969052.db2.gz SJOMQJDSGZBGKZ-JKSUJKDBSA-N 1 3 325.501 0.781 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000565706129 438971061 /nfs/dbraw/zinc/97/10/61/438971061.db2.gz UTTRQVAUWQNBMK-ROUUACIJSA-N 1 3 345.491 0.854 20 0 ECADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)Cn2ccnn2)CC1 ZINC000459702088 438989723 /nfs/dbraw/zinc/98/97/23/438989723.db2.gz RCUNTDUJBTWXAH-QGZVFWFLSA-N 1 3 344.463 0.571 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000566058474 438999824 /nfs/dbraw/zinc/99/98/24/438999824.db2.gz OZYTUFVQEJRKCK-GJZGRUSLSA-N 1 3 325.501 0.700 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H](C)O1 ZINC000517359665 438960500 /nfs/dbraw/zinc/96/05/00/438960500.db2.gz LHLZNGGSNBVIKN-TVFCKZIOSA-N 1 3 343.512 0.547 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)C[C@@H](C)O1 ZINC000517359665 438960504 /nfs/dbraw/zinc/96/05/04/438960504.db2.gz LHLZNGGSNBVIKN-TVFCKZIOSA-N 1 3 343.512 0.547 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000519707046 439057481 /nfs/dbraw/zinc/05/74/81/439057481.db2.gz BJUQXHJOZHOWDL-LSDHHAIUSA-N 1 3 337.468 0.075 20 0 ECADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1CCCNCC1 ZINC000519754923 439060539 /nfs/dbraw/zinc/06/05/39/439060539.db2.gz GIKHGOKPGTVJIS-MRXNPFEDSA-N 1 3 336.480 0.722 20 0 ECADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCCNCC1 ZINC000519754923 439060545 /nfs/dbraw/zinc/06/05/45/439060545.db2.gz GIKHGOKPGTVJIS-MRXNPFEDSA-N 1 3 336.480 0.722 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000459904330 439028452 /nfs/dbraw/zinc/02/84/52/439028452.db2.gz ZXPQSBRZOQDCEY-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000459904330 439028456 /nfs/dbraw/zinc/02/84/56/439028456.db2.gz ZXPQSBRZOQDCEY-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)CN1CCCCC1 ZINC000602472818 439093452 /nfs/dbraw/zinc/09/34/52/439093452.db2.gz LKRPZQDRVVNKHK-JLCFBVMHSA-N 1 3 329.510 0.725 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000580182034 439068303 /nfs/dbraw/zinc/06/83/03/439068303.db2.gz SOPFTAPFLBQTIB-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCCC[NH2+]2)cn1 ZINC000566622105 439075712 /nfs/dbraw/zinc/07/57/12/439075712.db2.gz PSRNEZRYGOBNHK-CQSZACIVSA-N 1 3 336.440 0.032 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000580904580 439147094 /nfs/dbraw/zinc/14/70/94/439147094.db2.gz YHIRIFLLISAVJC-HRCADAONSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000567880229 439191843 /nfs/dbraw/zinc/19/18/43/439191843.db2.gz DXAZAZZWJXJGCN-LSDHHAIUSA-N 1 3 334.464 0.867 20 0 ECADHO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)on1 ZINC000597943324 439202663 /nfs/dbraw/zinc/20/26/63/439202663.db2.gz YCLRIQHCAWEBQP-NSHDSACASA-N 1 3 326.397 0.463 20 0 ECADHO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)on1 ZINC000597943324 439202669 /nfs/dbraw/zinc/20/26/69/439202669.db2.gz YCLRIQHCAWEBQP-NSHDSACASA-N 1 3 326.397 0.463 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000568288219 439235830 /nfs/dbraw/zinc/23/58/30/439235830.db2.gz XPSOZJHYSLXAJD-IBGZPJMESA-N 1 3 346.475 0.965 20 0 ECADHO [NH3+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000581661210 439238987 /nfs/dbraw/zinc/23/89/87/439238987.db2.gz AFAVKEFFWHNKLH-MRXNPFEDSA-N 1 3 336.480 0.661 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000581654835 439239100 /nfs/dbraw/zinc/23/91/00/439239100.db2.gz RLMSMLMUDVJIGA-UHFFFAOYSA-N 1 3 348.447 0.307 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568853440 439284555 /nfs/dbraw/zinc/28/45/55/439284555.db2.gz XBYAASRGDDEJQU-YVEFUNNKSA-N 1 3 342.443 0.870 20 0 ECADHO CN1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000582290825 439313846 /nfs/dbraw/zinc/31/38/46/439313846.db2.gz MDHDFLWKRLIIJY-QZTJIDSGSA-N 1 3 345.491 0.793 20 0 ECADHO CN1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000582290825 439313851 /nfs/dbraw/zinc/31/38/51/439313851.db2.gz MDHDFLWKRLIIJY-QZTJIDSGSA-N 1 3 345.491 0.793 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000592964440 439324604 /nfs/dbraw/zinc/32/46/04/439324604.db2.gz GPMYGJBYEMPORJ-GJZGRUSLSA-N 1 3 344.450 0.858 20 0 ECADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582121496 439293026 /nfs/dbraw/zinc/29/30/26/439293026.db2.gz RGFHDDITLYZJCG-SOUVJXGZSA-N 1 3 337.468 0.107 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCN(CCN(C)C)CC2)C[C@H](C)O1 ZINC000569095876 439304186 /nfs/dbraw/zinc/30/41/86/439304186.db2.gz MTOQDHLOMUHMBW-JZXOWHBKSA-N 1 3 342.528 0.072 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000569146211 439309247 /nfs/dbraw/zinc/30/92/47/439309247.db2.gz MUDOYFZFXKGURK-HNNXBMFYSA-N 1 3 338.496 0.683 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000569767844 439361307 /nfs/dbraw/zinc/36/13/07/439361307.db2.gz QPTCKPMXMUTOKE-ZBFHGGJFSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000569767844 439361312 /nfs/dbraw/zinc/36/13/12/439361312.db2.gz QPTCKPMXMUTOKE-ZBFHGGJFSA-N 1 3 336.480 0.528 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)(C)C ZINC000582856314 439389438 /nfs/dbraw/zinc/38/94/38/439389438.db2.gz IBQGKHCJLMYEBK-RDBSUJKOSA-N 1 3 339.484 0.306 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000570298425 439409941 /nfs/dbraw/zinc/40/99/41/439409941.db2.gz ZMUMHCVVOGQLJU-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000570298425 439409944 /nfs/dbraw/zinc/40/99/44/439409944.db2.gz ZMUMHCVVOGQLJU-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000570500986 439425471 /nfs/dbraw/zinc/42/54/71/439425471.db2.gz ADMYKIDMOBUVRY-IRXDYDNUSA-N 1 3 331.464 0.464 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000570697549 439443043 /nfs/dbraw/zinc/44/30/43/439443043.db2.gz VKFWQWXREYLFJF-DLBZAZTESA-N 1 3 346.475 0.473 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000607232889 439446898 /nfs/dbraw/zinc/44/68/98/439446898.db2.gz QTXHAKLFPYMPNX-CVEARBPZSA-N 1 3 325.501 0.748 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000607232889 439446902 /nfs/dbraw/zinc/44/69/02/439446902.db2.gz QTXHAKLFPYMPNX-CVEARBPZSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000607280719 439449246 /nfs/dbraw/zinc/44/92/46/439449246.db2.gz MDLSZBVYFKXPBP-IJEWVQPXSA-N 1 3 336.480 0.800 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000607280719 439449250 /nfs/dbraw/zinc/44/92/50/439449250.db2.gz MDLSZBVYFKXPBP-IJEWVQPXSA-N 1 3 336.480 0.800 20 0 ECADHO O=C(NCC1CC[NH2+]CC1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000570941302 439463108 /nfs/dbraw/zinc/46/31/08/439463108.db2.gz UQAXCIURTIPMJU-LJQANCHMSA-N 1 3 346.475 0.922 20 0 ECADHO O=C(C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000583558700 439481123 /nfs/dbraw/zinc/48/11/23/439481123.db2.gz PXYJGNBLLVTAPR-QAPCUYQASA-N 1 3 334.464 0.285 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000530210001 439491670 /nfs/dbraw/zinc/49/16/70/439491670.db2.gz JLIOZKHAAYTMNV-HOCLYGCPSA-N 1 3 336.480 0.707 20 0 ECADHO CC[NH+](CC)CCSCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000571715528 439525871 /nfs/dbraw/zinc/52/58/71/439525871.db2.gz OOPWNNMNRAKOFZ-INIZCTEOSA-N 1 3 329.510 0.634 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000583984839 439534626 /nfs/dbraw/zinc/53/46/26/439534626.db2.gz ZLLAHAZDSFSGIG-WMLDXEAASA-N 1 3 344.459 0.586 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000583984839 439534630 /nfs/dbraw/zinc/53/46/30/439534630.db2.gz ZLLAHAZDSFSGIG-WMLDXEAASA-N 1 3 344.459 0.586 20 0 ECADHO C[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000608692626 439535062 /nfs/dbraw/zinc/53/50/62/439535062.db2.gz FEDURWSUNBGLDO-HZPDHXFCSA-N 1 3 339.528 0.899 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000584008793 439539343 /nfs/dbraw/zinc/53/93/43/439539343.db2.gz IANFXOQYINUHLD-ZBFHGGJFSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000584008793 439539348 /nfs/dbraw/zinc/53/93/48/439539348.db2.gz IANFXOQYINUHLD-ZBFHGGJFSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000584114007 439550780 /nfs/dbraw/zinc/55/07/80/439550780.db2.gz WJJLVROMWANOSF-LZWOXQAQSA-N 1 3 334.464 0.518 20 0 ECADHO CC(=O)NCCN(C)Cc1ccc(C[N@H+](C)CCNC(C)=O)cc1 ZINC000584527897 439597105 /nfs/dbraw/zinc/59/71/05/439597105.db2.gz OJDOOFYWAZVQPA-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO CC(=O)NCCN(C)Cc1ccc(C[N@@H+](C)CCNC(C)=O)cc1 ZINC000584527897 439597107 /nfs/dbraw/zinc/59/71/07/439597107.db2.gz OJDOOFYWAZVQPA-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC(C)(C)C1 ZINC000572819181 439610629 /nfs/dbraw/zinc/61/06/29/439610629.db2.gz ZPSVEPZHDFZXGY-HNNXBMFYSA-N 1 3 340.512 0.833 20 0 ECADHO N[C@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)[C@H](C[NH3+])CCC4)CCN2C1=O ZINC000594880767 439639880 /nfs/dbraw/zinc/63/98/80/439639880.db2.gz XKJMXUMZSGMZGC-ZOBUZTSGSA-N 1 3 342.443 0.449 20 0 ECADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000573609998 439657267 /nfs/dbraw/zinc/65/72/67/439657267.db2.gz PPDGNLMXOAXDTI-VNQPRFMTSA-N 1 3 336.480 0.420 20 0 ECADHO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000574385545 439702277 /nfs/dbraw/zinc/70/22/77/439702277.db2.gz WXTSRYWQOSYNCX-CQSZACIVSA-N 1 3 346.422 0.737 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C[C@H](O)C[N@H+](C)C(C)C)C2)CC1 ZINC000595339152 439706803 /nfs/dbraw/zinc/70/68/03/439706803.db2.gz NUSHODJTXGUHED-ZWKOTPCHSA-N 1 3 326.529 0.788 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C[C@H](O)C[N@@H+](C)C(C)C)C2)CC1 ZINC000595339152 439706805 /nfs/dbraw/zinc/70/68/05/439706805.db2.gz NUSHODJTXGUHED-ZWKOTPCHSA-N 1 3 326.529 0.788 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1cccc(OC)c1 ZINC000574261638 439694796 /nfs/dbraw/zinc/69/47/96/439694796.db2.gz MMAJUWZSLZZFOR-INIZCTEOSA-N 1 3 348.447 0.282 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000612545088 439725541 /nfs/dbraw/zinc/72/55/41/439725541.db2.gz IQWBMJCLLZQWGV-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N(CC)CCC[NH+]2CCCC2)C1 ZINC000612543677 439725681 /nfs/dbraw/zinc/72/56/81/439725681.db2.gz RPWMPZMHCTVWGG-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000612545086 439726216 /nfs/dbraw/zinc/72/62/16/439726216.db2.gz IQWBMJCLLZQWGV-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@H](C(=O)N[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000614985220 439791748 /nfs/dbraw/zinc/79/17/48/439791748.db2.gz QAOMYNJFYRCVHR-JKIFEVAISA-N 1 3 326.485 0.774 20 0 ECADHO CCN1CCN(CCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662757732 439877987 /nfs/dbraw/zinc/87/79/87/439877987.db2.gz LWCXQTVHILZDIZ-CQSZACIVSA-N 1 3 336.402 0.672 20 0 ECADHO CN(C(=O)c1ccnc(CN)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901052 439931309 /nfs/dbraw/zinc/93/13/09/439931309.db2.gz SNACHAMCXYOGFI-KRWDZBQOSA-N 1 3 331.464 0.781 20 0 ECADHO CN(C(=O)c1ccnc(CN)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901052 439931313 /nfs/dbraw/zinc/93/13/13/439931313.db2.gz SNACHAMCXYOGFI-KRWDZBQOSA-N 1 3 331.464 0.781 20 0 ECADHO CN(C(=O)c1ccnc(CN)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901052 439931324 /nfs/dbraw/zinc/93/13/24/439931324.db2.gz SNACHAMCXYOGFI-KRWDZBQOSA-N 1 3 331.464 0.781 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)N1CCOCC1 ZINC000617507404 439899830 /nfs/dbraw/zinc/89/98/30/439899830.db2.gz VPLKUDILAVVBAW-HNNXBMFYSA-N 1 3 328.501 0.485 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)N1CCOCC1 ZINC000617507404 439899838 /nfs/dbraw/zinc/89/98/38/439899838.db2.gz VPLKUDILAVVBAW-HNNXBMFYSA-N 1 3 328.501 0.485 20 0 ECADHO CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505797 439901779 /nfs/dbraw/zinc/90/17/79/439901779.db2.gz QOILDWMPSSPKQZ-KBPBESRZSA-N 1 3 344.525 0.686 20 0 ECADHO CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505797 439901783 /nfs/dbraw/zinc/90/17/83/439901783.db2.gz QOILDWMPSSPKQZ-KBPBESRZSA-N 1 3 344.525 0.686 20 0 ECADHO CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617503916 439902236 /nfs/dbraw/zinc/90/22/36/439902236.db2.gz AMOXTHYPJCHLLX-GOEBONIOSA-N 1 3 326.485 0.633 20 0 ECADHO CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617503916 439902240 /nfs/dbraw/zinc/90/22/40/439902240.db2.gz AMOXTHYPJCHLLX-GOEBONIOSA-N 1 3 326.485 0.633 20 0 ECADHO CO[C@H]1COCC[C@@H]1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507913 439904592 /nfs/dbraw/zinc/90/45/92/439904592.db2.gz OLJAHJJFQDHBCP-XHSDSOJGSA-N 1 3 329.485 0.816 20 0 ECADHO CO[C@H]1COCC[C@@H]1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507913 439904594 /nfs/dbraw/zinc/90/45/94/439904594.db2.gz OLJAHJJFQDHBCP-XHSDSOJGSA-N 1 3 329.485 0.816 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N(C)Cc1ccccc1 ZINC000652671529 439909252 /nfs/dbraw/zinc/90/92/52/439909252.db2.gz GHUTXMCGHZRPQS-HNNXBMFYSA-N 1 3 346.475 0.868 20 0 ECADHO C(CN1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1)N1CCOCC1 ZINC000641786111 439914581 /nfs/dbraw/zinc/91/45/81/439914581.db2.gz NYRLPSMCQQUXGK-CEXWTWQISA-N 1 3 336.524 0.999 20 0 ECADHO C(CN1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1)N1CCOCC1 ZINC000641786111 439914585 /nfs/dbraw/zinc/91/45/85/439914585.db2.gz NYRLPSMCQQUXGK-CEXWTWQISA-N 1 3 336.524 0.999 20 0 ECADHO O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858872 439915929 /nfs/dbraw/zinc/91/59/29/439915929.db2.gz JBGXZTUZNDLHDT-IRXDYDNUSA-N 1 3 349.500 0.965 20 0 ECADHO CCN(CC[NH3+])C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000626966400 439973267 /nfs/dbraw/zinc/97/32/67/439973267.db2.gz URQIYTNCYZSSFE-UHFFFAOYSA-N 1 3 335.452 0.468 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642330397 439974339 /nfs/dbraw/zinc/97/43/39/439974339.db2.gz FCFDMWIMYNIWEC-QCODTGAPSA-N 1 3 336.480 0.147 20 0 ECADHO C[C@H]1CCC[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000658534369 439985123 /nfs/dbraw/zinc/98/51/23/439985123.db2.gz AQDGSHYDLBMCGB-LSDHHAIUSA-N 1 3 342.484 0.012 20 0 ECADHO [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000652714321 439935708 /nfs/dbraw/zinc/93/57/08/439935708.db2.gz IKBNAUIQKINXTI-OAHLLOKOSA-N 1 3 336.480 0.709 20 0 ECADHO N[C@H]1CCCCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000631834526 439938983 /nfs/dbraw/zinc/93/89/83/439938983.db2.gz ZCZCWKAWJQJLDN-INIZCTEOSA-N 1 3 346.479 0.719 20 0 ECADHO N[C@H]1CCCCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000631834526 439938991 /nfs/dbraw/zinc/93/89/91/439938991.db2.gz ZCZCWKAWJQJLDN-INIZCTEOSA-N 1 3 346.479 0.719 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)CC1=O ZINC000662923756 439946027 /nfs/dbraw/zinc/94/60/27/439946027.db2.gz ZOCANCLOYILUTO-DIODGJHASA-N 1 3 334.464 0.187 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652731892 439951783 /nfs/dbraw/zinc/95/17/83/439951783.db2.gz XWPJHIHZNRBEBB-HNNXBMFYSA-N 1 3 326.485 0.763 20 0 ECADHO CN(C)[C@H](CNC(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000626922358 439959445 /nfs/dbraw/zinc/95/94/45/439959445.db2.gz UZGZJPQPBPZQRQ-INIZCTEOSA-N 1 3 334.464 0.966 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000642247034 439961698 /nfs/dbraw/zinc/96/16/98/439961698.db2.gz DTSQPYYWROBQMC-INIZCTEOSA-N 1 3 332.448 0.651 20 0 ECADHO CN(C)CCOCCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627018841 439990388 /nfs/dbraw/zinc/99/03/88/439990388.db2.gz IANABXXYIJKAPA-RYUDHWBXSA-N 1 3 340.390 0.733 20 0 ECADHO O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663018867 439991628 /nfs/dbraw/zinc/99/16/28/439991628.db2.gz QTFLMQPDSYWLIM-GJZGRUSLSA-N 1 3 346.479 0.525 20 0 ECADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663020561 439993089 /nfs/dbraw/zinc/99/30/89/439993089.db2.gz YIWGUFMCIQQVJG-CPUCHLNUSA-N 1 3 348.495 0.899 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000642699732 440007519 /nfs/dbraw/zinc/00/75/19/440007519.db2.gz JCPRNSQWGYLFKF-YCPHGPKFSA-N 1 3 332.448 0.477 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])Cc1ccccc1 ZINC000642723045 440016489 /nfs/dbraw/zinc/01/64/89/440016489.db2.gz QQHBWFDJVBXPTM-GDBMZVCRSA-N 1 3 334.464 0.519 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)C[NH2+]1 ZINC000627007496 439988668 /nfs/dbraw/zinc/98/86/68/439988668.db2.gz ZSEUNQDVMXENIL-UKRRQHHQSA-N 1 3 335.452 0.962 20 0 ECADHO C[NH+](C)CC[C@H](N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000653111331 440067643 /nfs/dbraw/zinc/06/76/43/440067643.db2.gz MJOIKNHAGLEWBI-AWEZNQCLSA-N 1 3 328.526 0.743 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642979923 440072897 /nfs/dbraw/zinc/07/28/97/440072897.db2.gz PVDWZMYYFDLBRE-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CC(C)OCC[NH+]1CCC(NC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000636884842 440083115 /nfs/dbraw/zinc/08/31/15/440083115.db2.gz KMRROWAYEQARHJ-MRXNPFEDSA-N 1 3 342.484 0.242 20 0 ECADHO C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000653166018 440087113 /nfs/dbraw/zinc/08/71/13/440087113.db2.gz QZJMEJBWQPKXJQ-OKZBNKHCSA-N 1 3 330.476 0.998 20 0 ECADHO C[NH+](C)CCOC1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000632027298 440048087 /nfs/dbraw/zinc/04/80/87/440048087.db2.gz YQXWBVQHPSYUCF-UHFFFAOYSA-N 1 3 347.525 0.845 20 0 ECADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642900731 440052173 /nfs/dbraw/zinc/05/21/73/440052173.db2.gz QQOKCVLDNNGAFD-XYPWUTKMSA-N 1 3 348.491 0.863 20 0 ECADHO NC1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CCCC1 ZINC000647700598 440124000 /nfs/dbraw/zinc/12/40/00/440124000.db2.gz PQQDSWNFBORDNX-UHFFFAOYSA-N 1 3 326.422 0.134 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653374176 440138388 /nfs/dbraw/zinc/13/83/88/440138388.db2.gz ATJUXGFAFJIHSJ-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000653374176 440138393 /nfs/dbraw/zinc/13/83/93/440138393.db2.gz ATJUXGFAFJIHSJ-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N(C)Cc1ccccc1 ZINC000627303912 440108147 /nfs/dbraw/zinc/10/81/47/440108147.db2.gz GWCTWZSXXOZNHA-VYDXJSESSA-N 1 3 346.475 0.880 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000643494634 440186948 /nfs/dbraw/zinc/18/69/48/440186948.db2.gz RGSIBWOTHKTGFP-IXDOHACOSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)C(=O)[C@@H]1CC[C@@H](CNC2CC[NH+](CC(C)(C)O)CC2)O1 ZINC000647909868 440187804 /nfs/dbraw/zinc/18/78/04/440187804.db2.gz PYQPCZMJFSGUNN-GJZGRUSLSA-N 1 3 327.469 0.447 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643503531 440189985 /nfs/dbraw/zinc/18/99/85/440189985.db2.gz RFNRNOVAGGXEOV-NVXWUHKLSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C[C@@H]1C[NH3+] ZINC000643498917 440190090 /nfs/dbraw/zinc/19/00/90/440190090.db2.gz VUKVICBIJNEZSK-PMPSAXMXSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000643516677 440194991 /nfs/dbraw/zinc/19/49/91/440194991.db2.gz IVXMZOISKGTUPJ-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627427313 440197907 /nfs/dbraw/zinc/19/79/07/440197907.db2.gz BPBRCWVWQSIJJK-GDBMZVCRSA-N 1 3 348.491 0.910 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643524309 440198110 /nfs/dbraw/zinc/19/81/10/440198110.db2.gz GCVBGAVYMAIPSC-UHFFFAOYSA-N 1 3 336.436 0.510 20 0 ECADHO CCN(C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(CC)C1 ZINC000658829887 440145909 /nfs/dbraw/zinc/14/59/09/440145909.db2.gz NWRHCZZQELUXIM-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(CC)C1 ZINC000658829887 440145914 /nfs/dbraw/zinc/14/59/14/440145914.db2.gz NWRHCZZQELUXIM-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653390076 440147771 /nfs/dbraw/zinc/14/77/71/440147771.db2.gz RKRWHJVCARLUMI-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653390076 440147776 /nfs/dbraw/zinc/14/77/76/440147776.db2.gz RKRWHJVCARLUMI-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@@H]1CCC[C@@](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)([NH+](C)C)C1 ZINC000647994634 440208884 /nfs/dbraw/zinc/20/88/84/440208884.db2.gz XIVYQRPMIAJZDM-WBTNSWJXSA-N 1 3 326.485 0.813 20 0 ECADHO C[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[N@H+](C)C1CC1 ZINC000663998189 440209679 /nfs/dbraw/zinc/20/96/79/440209679.db2.gz KJTAEEOYOWHANW-ZDUSSCGKSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000663998189 440209684 /nfs/dbraw/zinc/20/96/84/440209684.db2.gz KJTAEEOYOWHANW-ZDUSSCGKSA-N 1 3 327.473 0.131 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627445593 440210262 /nfs/dbraw/zinc/21/02/62/440210262.db2.gz RAUUSQZRHUPFNW-QLFBSQMISA-N 1 3 334.464 0.472 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627446939 440211617 /nfs/dbraw/zinc/21/16/17/440211617.db2.gz XTRMPIRHWGJCAM-KFWWJZLASA-N 1 3 336.480 0.766 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[NH2+]1 ZINC000627481773 440232954 /nfs/dbraw/zinc/23/29/54/440232954.db2.gz ICYQSZMJGPHXHJ-CABCVRRESA-N 1 3 336.480 0.720 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643531723 440204137 /nfs/dbraw/zinc/20/41/37/440204137.db2.gz AVTHWJASXBHJFK-QGZVFWFLSA-N 1 3 346.475 0.787 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643531961 440204286 /nfs/dbraw/zinc/20/42/86/440204286.db2.gz HVQZZPUMDZJZOX-LSDHHAIUSA-N 1 3 342.484 0.141 20 0 ECADHO C[C@H](CCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+](C)C ZINC000659094643 440243348 /nfs/dbraw/zinc/24/33/48/440243348.db2.gz ORWJZDRBAXWVDA-CZUORRHYSA-N 1 3 348.447 0.742 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000637497944 440287769 /nfs/dbraw/zinc/28/77/69/440287769.db2.gz BUBBUTGRMZKIGO-INIZCTEOSA-N 1 3 325.501 0.796 20 0 ECADHO [NH3+]CCCn1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)nn1 ZINC000659369611 440306313 /nfs/dbraw/zinc/30/63/13/440306313.db2.gz RZAHRAICGIUMSP-OAHLLOKOSA-N 1 3 330.392 0.540 20 0 ECADHO C[NH+](C)CC[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(C)(C)C ZINC000654446522 440319892 /nfs/dbraw/zinc/31/98/92/440319892.db2.gz PAPMFISWUODINX-RRFJBIMHSA-N 1 3 326.485 0.813 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661699 440372554 /nfs/dbraw/zinc/37/25/54/440372554.db2.gz LWVPSXBVZWQIJD-OAGGEKHMSA-N 1 3 325.501 0.652 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCC(=O)N1 ZINC000664778806 440374293 /nfs/dbraw/zinc/37/42/93/440374293.db2.gz LWEYZQWCYXTWRH-KBPBESRZSA-N 1 3 327.473 0.226 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCC(=O)N1 ZINC000664778806 440374298 /nfs/dbraw/zinc/37/42/98/440374298.db2.gz LWEYZQWCYXTWRH-KBPBESRZSA-N 1 3 327.473 0.226 20 0 ECADHO CCN1CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1=O ZINC000664845465 440380475 /nfs/dbraw/zinc/38/04/75/440380475.db2.gz HRTYYCYDKQQARU-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO CCN1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1=O ZINC000664845465 440380479 /nfs/dbraw/zinc/38/04/79/440380479.db2.gz HRTYYCYDKQQARU-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000665044026 440409238 /nfs/dbraw/zinc/40/92/38/440409238.db2.gz IFKMYVFVTACTHI-GOOCMWNKSA-N 1 3 339.484 0.273 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000665044026 440409241 /nfs/dbraw/zinc/40/92/41/440409241.db2.gz IFKMYVFVTACTHI-GOOCMWNKSA-N 1 3 339.484 0.273 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)Cc1ccccc1 ZINC000659673760 440410875 /nfs/dbraw/zinc/41/08/75/440410875.db2.gz GZKGZTUNOHADRU-MRXNPFEDSA-N 1 3 346.475 0.663 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC2CC1(CN)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000659676165 440412110 /nfs/dbraw/zinc/41/21/10/440412110.db2.gz FOJUNLIMTGOZPE-MLBPIDQTSA-N 1 3 348.491 0.705 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC2CC1(CN)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000659676165 440412114 /nfs/dbraw/zinc/41/21/14/440412114.db2.gz FOJUNLIMTGOZPE-MLBPIDQTSA-N 1 3 348.491 0.705 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CC[NH2+]1 ZINC000659723929 440461776 /nfs/dbraw/zinc/46/17/76/440461776.db2.gz UPLVMIIQAZQDAE-ILXRZTDVSA-N 1 3 336.480 0.766 20 0 ECADHO CCN1CC[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC000633204831 440467083 /nfs/dbraw/zinc/46/70/83/440467083.db2.gz CSGKWGBJUJZUJV-JKSUJKDBSA-N 1 3 335.452 0.380 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659736222 440474516 /nfs/dbraw/zinc/47/45/16/440474516.db2.gz LTMMJIHXXKQRDF-HOCLYGCPSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000659741576 440478566 /nfs/dbraw/zinc/47/85/66/440478566.db2.gz OWIAMXFEKPOOFA-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO CCN(CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)C1CC1 ZINC000638097583 440433116 /nfs/dbraw/zinc/43/31/16/440433116.db2.gz VOAHTHWNZGXNBM-LLVKDONJSA-N 1 3 342.394 0.964 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633083730 440435821 /nfs/dbraw/zinc/43/58/21/440435821.db2.gz WCWGBMPLSYFWPB-IYBDPMFKSA-N 1 3 338.496 0.776 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000649299226 440446894 /nfs/dbraw/zinc/44/68/94/440446894.db2.gz AMARSJFTUMVXLZ-ZDUSSCGKSA-N 1 3 334.420 0.564 20 0 ECADHO COc1cc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)ccc1OCCN(C)C ZINC000649302022 440449669 /nfs/dbraw/zinc/44/96/69/440449669.db2.gz KQDFQAXLJOCJJW-HALDLXJZSA-N 1 3 333.432 0.717 20 0 ECADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CNCCC1(F)F ZINC000644131139 440450805 /nfs/dbraw/zinc/45/08/05/440450805.db2.gz KPXCNXPOLCYMGW-UWVGGRQHSA-N 1 3 344.328 0.184 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659717012 440451440 /nfs/dbraw/zinc/45/14/40/440451440.db2.gz DFQURZKAQXAEBT-RWMBFGLXSA-N 1 3 340.468 0.205 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659717012 440451445 /nfs/dbraw/zinc/45/14/45/440451445.db2.gz DFQURZKAQXAEBT-RWMBFGLXSA-N 1 3 340.468 0.205 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c1 ZINC000649311321 440452011 /nfs/dbraw/zinc/45/20/11/440452011.db2.gz HTZHFGKXOLAJQT-OAGGEKHMSA-N 1 3 330.432 0.345 20 0 ECADHO C[C@H]1CCN(CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638125949 440452605 /nfs/dbraw/zinc/45/26/05/440452605.db2.gz HLQLAEXKUKEWLQ-WDEREUQCSA-N 1 3 342.394 0.822 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(CO)COC)CC2)CC1 ZINC000655001076 440455785 /nfs/dbraw/zinc/45/57/85/440455785.db2.gz OXTMOQXVXMDQPQ-SFHVURJKSA-N 1 3 341.496 0.696 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665553364 440490560 /nfs/dbraw/zinc/49/05/60/440490560.db2.gz SDLCNAONVBPCIA-CQSZACIVSA-N 1 3 341.500 0.521 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665553364 440490567 /nfs/dbraw/zinc/49/05/67/440490567.db2.gz SDLCNAONVBPCIA-CQSZACIVSA-N 1 3 341.500 0.521 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCc1cnccn1 ZINC000665761075 440523195 /nfs/dbraw/zinc/52/31/95/440523195.db2.gz WIJJTAXAUWBWOG-HNNXBMFYSA-N 1 3 336.484 0.933 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCc1cnccn1 ZINC000665761075 440523198 /nfs/dbraw/zinc/52/31/98/440523198.db2.gz WIJJTAXAUWBWOG-HNNXBMFYSA-N 1 3 336.484 0.933 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638387186 440525083 /nfs/dbraw/zinc/52/50/83/440525083.db2.gz UZTAVQSLVSLKFY-SFHVURJKSA-N 1 3 348.491 0.673 20 0 ECADHO CC(C)C[C@]1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCNC1=O ZINC000633613766 440525327 /nfs/dbraw/zinc/52/53/27/440525327.db2.gz FTTDOIGSWURTMY-MAUKXSAKSA-N 1 3 340.512 0.927 20 0 ECADHO CC(C)C[C@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCNC1=O ZINC000633613766 440525333 /nfs/dbraw/zinc/52/53/33/440525333.db2.gz FTTDOIGSWURTMY-MAUKXSAKSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(F)(F)C[C@@H]1CO ZINC000665761425 440526321 /nfs/dbraw/zinc/52/63/21/440526321.db2.gz CQCGTMZRRLHRKJ-QWHCGFSZSA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(F)(F)C[C@@H]1CO ZINC000665761425 440526326 /nfs/dbraw/zinc/52/63/26/440526326.db2.gz CQCGTMZRRLHRKJ-QWHCGFSZSA-N 1 3 336.427 0.670 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1=O ZINC000638506131 440557130 /nfs/dbraw/zinc/55/71/30/440557130.db2.gz QZJSZTMPKCRJTH-ARFHVFGLSA-N 1 3 348.491 0.720 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000638527603 440561326 /nfs/dbraw/zinc/56/13/26/440561326.db2.gz VLWMVVHAEAQOFE-GJZGRUSLSA-N 1 3 334.420 0.280 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000628834203 440561924 /nfs/dbraw/zinc/56/19/24/440561924.db2.gz GJQVCQRMPNYHLM-INIZCTEOSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655447035 440564011 /nfs/dbraw/zinc/56/40/11/440564011.db2.gz JFXWYEFSKZQSLH-MPGHIAIKSA-N 1 3 336.480 0.435 20 0 ECADHO CO[C@@H](CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCOCC1 ZINC000638571788 440568776 /nfs/dbraw/zinc/56/87/76/440568776.db2.gz ZEAZSHPJLIEAFA-CVEARBPZSA-N 1 3 327.469 0.605 20 0 ECADHO CO[C@@H](CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCOCC1 ZINC000638571788 440568782 /nfs/dbraw/zinc/56/87/82/440568782.db2.gz ZEAZSHPJLIEAFA-CVEARBPZSA-N 1 3 327.469 0.605 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC[C@H]1C(F)(F)F ZINC000638565082 440569646 /nfs/dbraw/zinc/56/96/46/440569646.db2.gz YGCPMSJILOXOBM-XQHKEYJVSA-N 1 3 335.370 0.835 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N[C@@]3(C)CC[NH2+]C3)ccc2[nH]c1=O ZINC000638438272 440538359 /nfs/dbraw/zinc/53/83/59/440538359.db2.gz ATGVRQYWNSNUDH-KRWDZBQOSA-N 1 3 331.420 0.785 20 0 ECADHO O=C1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CCCN1 ZINC000638463192 440543973 /nfs/dbraw/zinc/54/39/73/440543973.db2.gz RHCDVOYXFRESBX-MRXNPFEDSA-N 1 3 331.464 0.852 20 0 ECADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655714346 440621325 /nfs/dbraw/zinc/62/13/25/440621325.db2.gz AYONCGXJNFBULK-RDJZCZTQSA-N 1 3 338.496 0.417 20 0 ECADHO O=C(C[C@@H]1CSCCN1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638785187 440623600 /nfs/dbraw/zinc/62/36/00/440623600.db2.gz ZYJUCLSHUMMQRN-CABCVRRESA-N 1 3 327.494 0.699 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530241 440639013 /nfs/dbraw/zinc/63/90/13/440639013.db2.gz ZLMJYBXSGSRNEG-LSDHHAIUSA-N 1 3 345.443 0.965 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530241 440639019 /nfs/dbraw/zinc/63/90/19/440639019.db2.gz ZLMJYBXSGSRNEG-LSDHHAIUSA-N 1 3 345.443 0.965 20 0 ECADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530241 440639024 /nfs/dbraw/zinc/63/90/24/440639024.db2.gz ZLMJYBXSGSRNEG-LSDHHAIUSA-N 1 3 345.443 0.965 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1=O ZINC000638877133 440635862 /nfs/dbraw/zinc/63/58/62/440635862.db2.gz HIJHJVZZILTELS-SJORKVTESA-N 1 3 346.475 0.473 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000655976352 440665331 /nfs/dbraw/zinc/66/53/31/440665331.db2.gz WSPWAXBVPKYYGU-HZMVEIRTSA-N 1 3 346.479 0.873 20 0 ECADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000666658826 440671117 /nfs/dbraw/zinc/67/11/17/440671117.db2.gz OLCNCQHUORMQPC-BHYGNILZSA-N 1 3 336.480 0.854 20 0 ECADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000666658826 440671120 /nfs/dbraw/zinc/67/11/20/440671120.db2.gz OLCNCQHUORMQPC-BHYGNILZSA-N 1 3 336.480 0.854 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000650688333 440672196 /nfs/dbraw/zinc/67/21/96/440672196.db2.gz FFAMRRSFHARZTE-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1=O ZINC000650688333 440672202 /nfs/dbraw/zinc/67/22/02/440672202.db2.gz FFAMRRSFHARZTE-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655909308 440639677 /nfs/dbraw/zinc/63/96/77/440639677.db2.gz GILKCUGCUNJAOL-LSDHHAIUSA-N 1 3 332.404 0.451 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655909308 440639683 /nfs/dbraw/zinc/63/96/83/440639683.db2.gz GILKCUGCUNJAOL-LSDHHAIUSA-N 1 3 332.404 0.451 20 0 ECADHO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000656021843 440694486 /nfs/dbraw/zinc/69/44/86/440694486.db2.gz LOILAQSSOJGOQO-ZACQAIPSSA-N 1 3 344.459 0.936 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656027841 440696397 /nfs/dbraw/zinc/69/63/97/440696397.db2.gz GBAPPEIBVIRKRH-CWRNSKLLSA-N 1 3 336.480 0.705 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656027172 440697554 /nfs/dbraw/zinc/69/75/54/440697554.db2.gz BSKHOECXCTUJRJ-JYJNAYRXSA-N 1 3 336.480 0.578 20 0 ECADHO OC1CCN(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634720565 440698078 /nfs/dbraw/zinc/69/80/78/440698078.db2.gz LRGZTMFYYDUGRW-IBGZPJMESA-N 1 3 333.476 0.670 20 0 ECADHO OC1CCN(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634720565 440698080 /nfs/dbraw/zinc/69/80/80/440698080.db2.gz LRGZTMFYYDUGRW-IBGZPJMESA-N 1 3 333.476 0.670 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656024484 440693808 /nfs/dbraw/zinc/69/38/08/440693808.db2.gz QILATLQBFRLSJV-ZHCJQAHYSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@](O)(C[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000634707300 440694085 /nfs/dbraw/zinc/69/40/85/440694085.db2.gz CUACEZLZTKGTHN-XSLAGTTESA-N 1 3 326.481 0.866 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CN(C)C[C@H]32)CC1=O ZINC000644824776 440698702 /nfs/dbraw/zinc/69/87/02/440698702.db2.gz ZQQLAGWYVUBEAA-YLFCFFPRSA-N 1 3 348.491 0.482 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CN(C)C[C@H]32)CC1=O ZINC000644824776 440698708 /nfs/dbraw/zinc/69/87/08/440698708.db2.gz ZQQLAGWYVUBEAA-YLFCFFPRSA-N 1 3 348.491 0.482 20 0 ECADHO CS(=O)(=O)N1CC[C@H](CN2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639682894 440757702 /nfs/dbraw/zinc/75/77/02/440757702.db2.gz CSVSZRUHWSUJFG-OAHLLOKOSA-N 1 3 338.477 0.875 20 0 ECADHO NC(=O)c1ccccc1N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000629560115 440727477 /nfs/dbraw/zinc/72/74/77/440727477.db2.gz DDMMWVXTUQHFEG-GJZGRUSLSA-N 1 3 332.448 0.411 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000667067813 440733826 /nfs/dbraw/zinc/73/38/26/440733826.db2.gz XAKGCHFPUDXYMT-AWEZNQCLSA-N 1 3 348.447 0.953 20 0 ECADHO CC[NH+]1CCC(N2CCCN(CCN3C(=O)CNC3=O)CC2)CC1 ZINC000660832702 440737066 /nfs/dbraw/zinc/73/70/66/440737066.db2.gz AIHPWMYUOILTLQ-UHFFFAOYSA-N 1 3 337.468 0.030 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000645263681 440773665 /nfs/dbraw/zinc/77/36/65/440773665.db2.gz STFPGDNBLRMLRH-CQSZACIVSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H](CNC(=O)c1ccccc1CC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000635254427 440796781 /nfs/dbraw/zinc/79/67/81/440796781.db2.gz DTUUNIWYBIDDAV-LSDHHAIUSA-N 1 3 348.491 0.975 20 0 ECADHO C[C@H](CNC(=O)c1ccccc1CC(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000635254427 440796788 /nfs/dbraw/zinc/79/67/88/440796788.db2.gz DTUUNIWYBIDDAV-LSDHHAIUSA-N 1 3 348.491 0.975 20 0 ECADHO C(N1CC[C@H]2COC[C@H]2C1)C1(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)COC1 ZINC000662038019 440958795 /nfs/dbraw/zinc/95/87/95/440958795.db2.gz VIXFFMCATWJEGK-FZDBZEDMSA-N 1 3 336.476 0.940 20 0 ECADHO C(N1CC[C@H]2COC[C@H]2C1)C1(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)COC1 ZINC000662038019 440958800 /nfs/dbraw/zinc/95/88/00/440958800.db2.gz VIXFFMCATWJEGK-FZDBZEDMSA-N 1 3 336.476 0.940 20 0 ECADHO C(N1CC[C@@H]2COC[C@@H]2C1)C1(C[N@@H+]2CC[C@H]3COC[C@H]3C2)COC1 ZINC000662038019 440958804 /nfs/dbraw/zinc/95/88/04/440958804.db2.gz VIXFFMCATWJEGK-FZDBZEDMSA-N 1 3 336.476 0.940 20 0 ECADHO C(N1CC[C@@H]2COC[C@@H]2C1)C1(C[N@H+]2CC[C@H]3COC[C@H]3C2)COC1 ZINC000662038019 440958807 /nfs/dbraw/zinc/95/88/07/440958807.db2.gz VIXFFMCATWJEGK-FZDBZEDMSA-N 1 3 336.476 0.940 20 0 ECADHO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249742 440994067 /nfs/dbraw/zinc/99/40/67/440994067.db2.gz ZDALZXOGXFYVBQ-OCCSQVGLSA-N 1 3 339.461 0.848 20 0 ECADHO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249741 440994417 /nfs/dbraw/zinc/99/44/17/440994417.db2.gz ZDALZXOGXFYVBQ-JSGCOSHPSA-N 1 3 339.461 0.848 20 0 ECADHO CN(C)[C@@H](CNC(=O)Cn1cc(CCC[NH3+])nn1)c1ccccc1 ZINC000640836125 440999773 /nfs/dbraw/zinc/99/97/73/440999773.db2.gz AIUPGUJLMPOLSI-INIZCTEOSA-N 1 3 330.436 0.589 20 0 ECADHO CN(C)CC[NH+]1CCC(NCc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631039844 441001182 /nfs/dbraw/zinc/00/11/82/441001182.db2.gz MWMHNLCDISZNQF-HNNXBMFYSA-N 1 3 336.484 0.430 20 0 ECADHO O=C1c2ccccc2C(=O)N1CCCCNC1(CO)CC[NH2+]CC1 ZINC000662285889 441004798 /nfs/dbraw/zinc/00/47/98/441004798.db2.gz LETYUQWCOYIXQH-UHFFFAOYSA-N 1 3 331.416 0.767 20 0 ECADHO CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297840 441008331 /nfs/dbraw/zinc/00/83/31/441008331.db2.gz SIOZIEDMVLIQJL-MRXNPFEDSA-N 1 3 338.496 0.683 20 0 ECADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000662336332 441016017 /nfs/dbraw/zinc/01/60/17/441016017.db2.gz CPMKUYDRPBNIOL-INIZCTEOSA-N 1 3 348.495 0.331 20 0 ECADHO CN1CCN(CCCCNC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662382973 441025300 /nfs/dbraw/zinc/02/53/00/441025300.db2.gz GNPXJBCCCAZGRE-UHFFFAOYSA-N 1 3 349.479 0.899 20 0 ECADHO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[C@@H](N2CCCC2)C1 ZINC000662396889 441027167 /nfs/dbraw/zinc/02/71/67/441027167.db2.gz OHGOAIUVVHCHJD-OAHLLOKOSA-N 1 3 332.452 0.903 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652239608 441034917 /nfs/dbraw/zinc/03/49/17/441034917.db2.gz XZTXIBSWIXGCAH-AWEZNQCLSA-N 1 3 337.468 0.063 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2CCCN2CCCO)c(F)c1 ZINC000652270160 441044245 /nfs/dbraw/zinc/04/42/45/441044245.db2.gz XMJDZLZSULQWNO-HNNXBMFYSA-N 1 3 338.427 0.930 20 0 ECADHO CCS(=O)(=O)NCCCN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363938 441059701 /nfs/dbraw/zinc/05/97/01/441059701.db2.gz SQBNFTVJULVYQQ-KFWWJZLASA-N 1 3 333.498 0.677 20 0 ECADHO C[C@H]([NH3+])CNC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000641414288 441114941 /nfs/dbraw/zinc/11/49/41/441114941.db2.gz XCHGTDDMPUILAD-HNNXBMFYSA-N 1 3 349.479 0.806 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)N1CCOCC1 ZINC000339703288 321000059 /nfs/dbraw/zinc/00/00/59/321000059.db2.gz ZOJZGDFWBFXFFX-IRXDYDNUSA-N 1 3 340.512 0.582 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)N1CCOCC1 ZINC000339703288 321000060 /nfs/dbraw/zinc/00/00/60/321000060.db2.gz ZOJZGDFWBFXFFX-IRXDYDNUSA-N 1 3 340.512 0.582 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000340232256 321026345 /nfs/dbraw/zinc/02/63/45/321026345.db2.gz PZOVCEXPCNEKFT-KRWDZBQOSA-N 1 3 340.512 0.367 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000340232256 321026347 /nfs/dbraw/zinc/02/63/47/321026347.db2.gz PZOVCEXPCNEKFT-KRWDZBQOSA-N 1 3 340.512 0.367 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000340263235 321032075 /nfs/dbraw/zinc/03/20/75/321032075.db2.gz HHNGKENLEXROEJ-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340267740 321033118 /nfs/dbraw/zinc/03/31/18/321033118.db2.gz KWRCVEFCCDPMGE-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC[N@@H+]1C ZINC000340424572 321043757 /nfs/dbraw/zinc/04/37/57/321043757.db2.gz RJQKEKPDKMOVGS-DVOMOZLQSA-N 1 3 342.509 0.139 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC[N@H+]1C ZINC000340424572 321043758 /nfs/dbraw/zinc/04/37/58/321043758.db2.gz RJQKEKPDKMOVGS-DVOMOZLQSA-N 1 3 342.509 0.139 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000342035642 321073352 /nfs/dbraw/zinc/07/33/52/321073352.db2.gz KMHWDTLVJVQWEK-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000342035642 321073353 /nfs/dbraw/zinc/07/33/53/321073353.db2.gz KMHWDTLVJVQWEK-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000346157798 321216527 /nfs/dbraw/zinc/21/65/27/321216527.db2.gz ARMFIZBUVDTZMS-OAGGEKHMSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CCN1C ZINC000347957387 321259301 /nfs/dbraw/zinc/25/93/01/321259301.db2.gz APOYVSCGWVDYHU-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCN1C ZINC000348030592 321262995 /nfs/dbraw/zinc/26/29/95/321262995.db2.gz XSNLEGJXXITLRB-HIFRSBDPSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN(C)C(=O)c1cccs1 ZINC000531118545 322035579 /nfs/dbraw/zinc/03/55/79/322035579.db2.gz VPMFUTDZQPLHAM-UHFFFAOYSA-N 1 3 340.493 0.772 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCOc1ncccc1F ZINC000532613973 322057554 /nfs/dbraw/zinc/05/75/54/322057554.db2.gz YOHUCFOJMBAMMA-UHFFFAOYSA-N 1 3 341.431 0.734 20 0 ECADHO C[C@@H]1CCC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1C ZINC000559351866 322218971 /nfs/dbraw/zinc/21/89/71/322218971.db2.gz HHDACIBTLNRPCB-PMPSAXMXSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)S(C)(=O)=O ZINC000562987819 322291098 /nfs/dbraw/zinc/29/10/98/322291098.db2.gz RJGQWFNEDAGTDQ-HNNXBMFYSA-N 1 3 340.493 0.616 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000563495997 322323360 /nfs/dbraw/zinc/32/33/60/322323360.db2.gz QBPKVOYIPFFERO-HIFRSBDPSA-N 1 3 346.431 0.516 20 0 ECADHO CC(C)OCCN1CCC([NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC000563528932 322326055 /nfs/dbraw/zinc/32/60/55/322326055.db2.gz OSGZKWBRWYXCDU-GOSISDBHSA-N 1 3 342.528 0.074 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1CC[NH2+]CC1 ZINC000564063031 322359320 /nfs/dbraw/zinc/35/93/20/322359320.db2.gz OJSQFKCIABMMKC-HNNXBMFYSA-N 1 3 339.484 0.228 20 0 ECADHO [NH3+]CCc1nc(C(=O)Nc2ccc(N3CCNCC3)cn2)cs1 ZINC000564799361 322394418 /nfs/dbraw/zinc/39/44/18/322394418.db2.gz WBLGZFZCGHAQBZ-UHFFFAOYSA-N 1 3 332.433 0.701 20 0 ECADHO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000564824854 322396456 /nfs/dbraw/zinc/39/64/56/322396456.db2.gz BKZPHIANDFMXHX-YJBOKZPZSA-N 1 3 334.464 0.285 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)CCN(C)C)CC1 ZINC000565249563 322445886 /nfs/dbraw/zinc/44/58/86/322445886.db2.gz JYMQYBLAFWPQOC-UHFFFAOYSA-N 1 3 327.473 0.180 20 0 ECADHO CCOCC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000567377851 322581373 /nfs/dbraw/zinc/58/13/73/322581373.db2.gz FSJFRLKTBUEXSV-INIZCTEOSA-N 1 3 329.485 0.160 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000570159903 322677893 /nfs/dbraw/zinc/67/78/93/322677893.db2.gz QTSXTKAUWCPVQC-FXUDXRNXSA-N 1 3 325.501 0.780 20 0 ECADHO CN[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000573814259 322768380 /nfs/dbraw/zinc/76/83/80/322768380.db2.gz COAZIAQEKHYRDX-ZDUSSCGKSA-N 1 3 332.448 0.973 20 0 ECADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NC2CNC2)CC1 ZINC000577593903 322839739 /nfs/dbraw/zinc/83/97/39/322839739.db2.gz ADORWHHRIKWZKS-CYBMUJFWSA-N 1 3 330.432 0.416 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000263259863 535891936 /nfs/dbraw/zinc/89/19/36/535891936.db2.gz LYLQBNNFACYYME-HOTGVXAUSA-N 1 3 332.448 0.722 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000236660220 545927617 /nfs/dbraw/zinc/92/76/17/545927617.db2.gz FODHDTVOVDWNEV-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248711095 545943124 /nfs/dbraw/zinc/94/31/24/545943124.db2.gz MUDLNJJGIJZICQ-OAGGEKHMSA-N 1 3 337.512 0.937 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000248711095 545943126 /nfs/dbraw/zinc/94/31/26/545943126.db2.gz MUDLNJJGIJZICQ-OAGGEKHMSA-N 1 3 337.512 0.937 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)nn1 ZINC000324931496 545999916 /nfs/dbraw/zinc/99/99/16/545999916.db2.gz VLDMELXSNMVDJI-INIZCTEOSA-N 1 3 328.420 0.804 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000342973699 546087144 /nfs/dbraw/zinc/08/71/44/546087144.db2.gz CIMIHNZZQXGCJZ-CQSZACIVSA-N 1 3 342.484 0.060 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000342981066 546087997 /nfs/dbraw/zinc/08/79/97/546087997.db2.gz ZPYIDENJBHJKCB-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000342981065 546088311 /nfs/dbraw/zinc/08/83/11/546088311.db2.gz ZPYIDENJBHJKCB-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417749820 546210113 /nfs/dbraw/zinc/21/01/13/546210113.db2.gz JWGQMNQXUFBGND-BZUAXINKSA-N 1 3 325.501 0.829 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000417568957 546210357 /nfs/dbraw/zinc/21/03/57/546210357.db2.gz UPJQQVJYVNUIHU-OAHLLOKOSA-N 1 3 341.500 0.746 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621643396 546533900 /nfs/dbraw/zinc/53/39/00/546533900.db2.gz FQSDXVQFQKAJAI-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622026036 546607931 /nfs/dbraw/zinc/60/79/31/546607931.db2.gz CCDLSTIZJBWZLC-KBXCAEBGSA-N 1 3 336.480 0.659 20 0 ECADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1nc(N)nc(N)n1 ZINC000624080119 546876311 /nfs/dbraw/zinc/87/63/11/546876311.db2.gz FRXLLWJSVJJYOS-UHFFFAOYSA-N 1 3 328.424 0.835 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000625456072 547105463 /nfs/dbraw/zinc/10/54/63/547105463.db2.gz XKBVXOURKWCWMM-DLBZAZTESA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H]1C[C@@H]1C[N@H+](CCCCN(C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000625932067 547254809 /nfs/dbraw/zinc/25/48/09/547254809.db2.gz OZKACHXFACIONU-WCVJEAGWSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1C[C@@H]1C[N@@H+](CCCCN(C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000625932067 547254811 /nfs/dbraw/zinc/25/48/11/547254811.db2.gz OZKACHXFACIONU-WCVJEAGWSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc2c1NC(=O)CO2 ZINC000635503675 547385867 /nfs/dbraw/zinc/38/58/67/547385867.db2.gz XFXCPLDUYBCZKN-UHFFFAOYSA-N 1 3 334.420 0.583 20 0 ECADHO CCN(C(=O)C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CCN(CC)C1 ZINC000668359353 547633892 /nfs/dbraw/zinc/63/38/92/547633892.db2.gz VVKNYLFQOXRSQP-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668499592 547671092 /nfs/dbraw/zinc/67/10/92/547671092.db2.gz HWRSAMDNRBDMCP-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668499592 547671094 /nfs/dbraw/zinc/67/10/94/547671094.db2.gz HWRSAMDNRBDMCP-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668502398 547672292 /nfs/dbraw/zinc/67/22/92/547672292.db2.gz TXQJZIHMFOEYPB-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668502398 547672295 /nfs/dbraw/zinc/67/22/95/547672295.db2.gz TXQJZIHMFOEYPB-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000668876046 547775343 /nfs/dbraw/zinc/77/53/43/547775343.db2.gz LVHPMHMTMSYZQX-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000669232948 547857280 /nfs/dbraw/zinc/85/72/80/547857280.db2.gz USDMEIXJACWCIM-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC1CC[NH+](CCNC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1 ZINC000669303703 547872045 /nfs/dbraw/zinc/87/20/45/547872045.db2.gz IANMGMSLOZOJGI-INIZCTEOSA-N 1 3 349.483 0.815 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000669561142 547906910 /nfs/dbraw/zinc/90/69/10/547906910.db2.gz NXJZTCNFSHPART-PVAVHDDUSA-N 1 3 332.448 0.876 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC1CCN(C2CC2)CC1)C1CC[NH+](C)CC1 ZINC000670783601 548049245 /nfs/dbraw/zinc/04/92/45/548049245.db2.gz UOAHTMZMFCEENK-CYBMUJFWSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000670983486 548075231 /nfs/dbraw/zinc/07/52/31/548075231.db2.gz HFXAAOMGGZQZME-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000670985069 548076962 /nfs/dbraw/zinc/07/69/62/548076962.db2.gz GCUNIBDBHZTSFR-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000671099682 548091249 /nfs/dbraw/zinc/09/12/49/548091249.db2.gz GHXJFCAATXZNOF-OAGGEKHMSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000671099682 548091253 /nfs/dbraw/zinc/09/12/53/548091253.db2.gz GHXJFCAATXZNOF-OAGGEKHMSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000671182111 548107303 /nfs/dbraw/zinc/10/73/03/548107303.db2.gz JWYRQNFEBWYDIX-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000671182111 548107305 /nfs/dbraw/zinc/10/73/05/548107305.db2.gz JWYRQNFEBWYDIX-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CC1(N(C)C)CCC1)C1CC[NH+](C)CC1 ZINC000672013648 548255491 /nfs/dbraw/zinc/25/54/91/548255491.db2.gz MMNYQRHXGGZROE-CQSZACIVSA-N 1 3 338.496 0.776 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672307262 548303932 /nfs/dbraw/zinc/30/39/32/548303932.db2.gz RWZVXAQUKHKUFF-YESZJQIVSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672307262 548303934 /nfs/dbraw/zinc/30/39/34/548303934.db2.gz RWZVXAQUKHKUFF-YESZJQIVSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC[C@H]21 ZINC000672312463 548309062 /nfs/dbraw/zinc/30/90/62/548309062.db2.gz PRTCOVIEYXCXHJ-BRWVUGGUSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC[C@H]21 ZINC000672312463 548309066 /nfs/dbraw/zinc/30/90/66/548309066.db2.gz PRTCOVIEYXCXHJ-BRWVUGGUSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC[C@@H]21 ZINC000672312466 548309227 /nfs/dbraw/zinc/30/92/27/548309227.db2.gz PRTCOVIEYXCXHJ-ZACQAIPSSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC[C@@H]21 ZINC000672312466 548309233 /nfs/dbraw/zinc/30/92/33/548309233.db2.gz PRTCOVIEYXCXHJ-ZACQAIPSSA-N 1 3 348.491 0.530 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676093584 548787686 /nfs/dbraw/zinc/78/76/86/548787686.db2.gz WYQUTARYPKOLIV-CYBMUJFWSA-N 1 3 338.456 0.230 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H]2CCCN(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000677896078 548968326 /nfs/dbraw/zinc/96/83/26/548968326.db2.gz INEPTAUPDKIWJT-IKGGRYGDSA-N 1 3 337.512 0.748 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000678589450 549038174 /nfs/dbraw/zinc/03/81/74/549038174.db2.gz YKILWPTTWMKNLB-GJZGRUSLSA-N 1 3 325.453 0.862 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000678589450 549038178 /nfs/dbraw/zinc/03/81/78/549038178.db2.gz YKILWPTTWMKNLB-GJZGRUSLSA-N 1 3 325.453 0.862 20 0 ECADHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681211575 549236425 /nfs/dbraw/zinc/23/64/25/549236425.db2.gz UZXIVCZFNLSNQL-WBVHZDCISA-N 1 3 337.512 0.891 20 0 ECADHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681211575 549236426 /nfs/dbraw/zinc/23/64/26/549236426.db2.gz UZXIVCZFNLSNQL-WBVHZDCISA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC000683369336 549482555 /nfs/dbraw/zinc/48/25/55/549482555.db2.gz PBFFHTSGWHGGBZ-GJZGRUSLSA-N 1 3 326.485 0.820 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000683369336 549482557 /nfs/dbraw/zinc/48/25/57/549482557.db2.gz PBFFHTSGWHGGBZ-GJZGRUSLSA-N 1 3 326.485 0.820 20 0 ECADHO COC1CCN(CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000751093840 579363340 /nfs/dbraw/zinc/36/33/40/579363340.db2.gz GPFKVVUVNYNIDA-GOEBONIOSA-N 1 3 340.468 0.260 20 0 ECADHO COC1CCN(CCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000751093840 579363341 /nfs/dbraw/zinc/36/33/41/579363341.db2.gz GPFKVVUVNYNIDA-GOEBONIOSA-N 1 3 340.468 0.260 20 0 ECADHO CN1CCN(CCCCNC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760473048 579511071 /nfs/dbraw/zinc/51/10/71/579511071.db2.gz BTFAQHAEIFWGOL-UHFFFAOYSA-N 1 3 341.569 0.820 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793696091 578935281 /nfs/dbraw/zinc/93/52/81/578935281.db2.gz FHBBUIWWCDNJTL-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)CCNC(=S)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000767688724 579113834 /nfs/dbraw/zinc/11/38/34/579113834.db2.gz ZVKOZEJHVDKFPF-LSDHHAIUSA-N 1 3 328.526 0.780 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@H]3C[N@H+](C)CC[C@@H]31)C2=O ZINC000768499833 579126805 /nfs/dbraw/zinc/12/68/05/579126805.db2.gz MQZLGTGAFFFRQI-GJZGRUSLSA-N 1 3 349.479 0.376 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@H]3C[N@@H+](C)CC[C@@H]31)C2=O ZINC000768499833 579126806 /nfs/dbraw/zinc/12/68/06/579126806.db2.gz MQZLGTGAFFFRQI-GJZGRUSLSA-N 1 3 349.479 0.376 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)N1CCCCC1 ZINC000774852889 579257548 /nfs/dbraw/zinc/25/75/48/579257548.db2.gz FKNNNOMTCMXOPD-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CCCN1CCCO ZINC000840775354 588973475 /nfs/dbraw/zinc/97/34/75/588973475.db2.gz DXKFDAQARGEVSC-LSDHHAIUSA-N 1 3 328.526 0.782 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CCCN1CCCO ZINC000840775354 588973476 /nfs/dbraw/zinc/97/34/76/588973476.db2.gz DXKFDAQARGEVSC-LSDHHAIUSA-N 1 3 328.526 0.782 20 0 ECADHO [NH3+]CCOc1cccc(NC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000841281909 588985824 /nfs/dbraw/zinc/98/58/24/588985824.db2.gz MUQQCJFUBLKGQG-HNNXBMFYSA-N 1 3 336.436 0.992 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000841933317 589006394 /nfs/dbraw/zinc/00/63/94/589006394.db2.gz MLJGMKVHRORBHQ-KRWDZBQOSA-N 1 3 334.464 0.834 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)N1CCCCC1 ZINC000842015171 589008036 /nfs/dbraw/zinc/00/80/36/589008036.db2.gz HGGPXSTVQLSQQK-CQSZACIVSA-N 1 3 344.459 0.897 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000842225778 589022157 /nfs/dbraw/zinc/02/21/57/589022157.db2.gz CNZPTFLORGALKR-KRWDZBQOSA-N 1 3 346.475 0.473 20 0 ECADHO CC[NH+](CC)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891464249 586169706 /nfs/dbraw/zinc/16/97/06/586169706.db2.gz WGLGGZVEDVVUFM-CVEARBPZSA-N 1 3 326.485 0.959 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891483040 586170830 /nfs/dbraw/zinc/17/08/30/586170830.db2.gz MJJVGLHXJPACLP-QLFBSQMISA-N 1 3 337.468 0.075 20 0 ECADHO O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000891514204 586172786 /nfs/dbraw/zinc/17/27/86/586172786.db2.gz OANDFSXENQHBOZ-DLBZAZTESA-N 1 3 344.459 0.995 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891577967 586178903 /nfs/dbraw/zinc/17/89/03/586178903.db2.gz VDVPNFUYHUUPDI-HUUCEWRRSA-N 1 3 340.468 0.165 20 0 ECADHO O=C(NCc1ccccc1CN1CCC(O)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891646411 586184795 /nfs/dbraw/zinc/18/47/95/586184795.db2.gz LAFQLHJLNCAUFV-IRXDYDNUSA-N 1 3 344.459 0.899 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000895628147 586194240 /nfs/dbraw/zinc/19/42/40/586194240.db2.gz YIZWCLPFZCTIQW-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000895628147 586194242 /nfs/dbraw/zinc/19/42/42/586194242.db2.gz YIZWCLPFZCTIQW-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895628147 586194245 /nfs/dbraw/zinc/19/42/45/586194245.db2.gz YIZWCLPFZCTIQW-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H]1CN(C(=O)NCC2([NH3+])CCOCC2)CCN1c1ccncc1 ZINC000892279060 586241779 /nfs/dbraw/zinc/24/17/79/586241779.db2.gz MHNYAEMYYSGGPZ-AWEZNQCLSA-N 1 3 333.436 0.810 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892444504 586266890 /nfs/dbraw/zinc/26/68/90/586266890.db2.gz FTGNKWJIAVOKAZ-WKILWMFISA-N 1 3 325.501 0.783 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)C1 ZINC000892470221 586267700 /nfs/dbraw/zinc/26/77/00/586267700.db2.gz MKKMFPPBJNADNL-UPTPFMHGSA-N 1 3 335.496 0.774 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892490017 586269308 /nfs/dbraw/zinc/26/93/08/586269308.db2.gz OFQDJKKGZSITCU-HNNXBMFYSA-N 1 3 327.517 0.899 20 0 ECADHO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000892549239 586272847 /nfs/dbraw/zinc/27/28/47/586272847.db2.gz YELIQROEHLDVQJ-IXDOHACOSA-N 1 3 332.448 0.790 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892596065 586275497 /nfs/dbraw/zinc/27/54/97/586275497.db2.gz MUZMFMIRKZJPLP-BJWYYQGGSA-N 1 3 337.512 0.796 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000892789647 586291156 /nfs/dbraw/zinc/29/11/56/586291156.db2.gz RBYLLCJDGNDFOU-QZTJIDSGSA-N 1 3 343.475 0.390 20 0 ECADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)C1CN(C2CCOCC2)C1 ZINC000897634770 586353725 /nfs/dbraw/zinc/35/37/25/586353725.db2.gz OFQBJMMBSVNHIQ-HNNXBMFYSA-N 1 3 327.469 0.306 20 0 ECADHO CN1C[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)[C@@H]2C1 ZINC000893742462 586355895 /nfs/dbraw/zinc/35/58/95/586355895.db2.gz JZFLRLMWETWLJM-RKTXRCNFSA-N 1 3 336.480 0.710 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccn1 ZINC000893913211 586366487 /nfs/dbraw/zinc/36/64/87/586366487.db2.gz CUBPZNDMKCNUIE-IYBDPMFKSA-N 1 3 347.463 0.725 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccn1 ZINC000893913211 586366490 /nfs/dbraw/zinc/36/64/90/586366490.db2.gz CUBPZNDMKCNUIE-IYBDPMFKSA-N 1 3 347.463 0.725 20 0 ECADHO CN1c2ccc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2CCC1=O ZINC000843048136 589047863 /nfs/dbraw/zinc/04/78/63/589047863.db2.gz OYAUYDQGPLTGCO-MRXNPFEDSA-N 1 3 344.459 0.883 20 0 ECADHO CN1CCCN(CCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000894378441 586389617 /nfs/dbraw/zinc/38/96/17/586389617.db2.gz QQHQSKXZDBOJNS-UHFFFAOYSA-N 1 3 344.459 0.900 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843262251 589058356 /nfs/dbraw/zinc/05/83/56/589058356.db2.gz NSDMJVICLPRRHY-UHFFFAOYSA-N 1 3 326.485 0.955 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000900682359 586655703 /nfs/dbraw/zinc/65/57/03/586655703.db2.gz QPYLRVNTOODPGR-QGZVFWFLSA-N 1 3 327.469 0.402 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(-n3ccnc3)nc1)C2 ZINC000903493826 586779533 /nfs/dbraw/zinc/77/95/33/586779533.db2.gz XGUNAKHZAXGDPL-DAYGRLMNSA-N 1 3 341.415 0.980 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCn1c(C)csc1=O)C2 ZINC000903491892 586779557 /nfs/dbraw/zinc/77/95/57/586779557.db2.gz FNLSKYLPGSECIH-ZOWXZIJZSA-N 1 3 325.434 0.431 20 0 ECADHO CCC[C@H](C)NC(=O)[C@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492263 586779666 /nfs/dbraw/zinc/77/96/66/586779666.db2.gz KUGKWQFCIBQUSE-CGEFAEBTSA-N 1 3 325.453 0.892 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000903497205 586780039 /nfs/dbraw/zinc/78/00/39/586780039.db2.gz QDSKFASNYWWESK-BRWVUGGUSA-N 1 3 340.512 0.376 20 0 ECADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790435 586813072 /nfs/dbraw/zinc/81/30/72/586813072.db2.gz IPUSCNKCYOUHOD-ZDUSSCGKSA-N 1 3 338.496 0.796 20 0 ECADHO NC(=O)Cc1cccc2c1CCN(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903777358 586814236 /nfs/dbraw/zinc/81/42/36/586814236.db2.gz APBDQHPQHZBUBW-QFBILLFUSA-N 1 3 329.444 0.841 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H](Cn3ccnn3)C2)cnn1C ZINC000903898659 586824075 /nfs/dbraw/zinc/82/40/75/586824075.db2.gz MTIMBBMIRVHMFM-HOTGVXAUSA-N 1 3 331.468 0.850 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cnn1C ZINC000903898659 586824078 /nfs/dbraw/zinc/82/40/78/586824078.db2.gz MTIMBBMIRVHMFM-HOTGVXAUSA-N 1 3 331.468 0.850 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@H](Cn3ccnn3)C2)cnn1C ZINC000903898659 586824081 /nfs/dbraw/zinc/82/40/81/586824081.db2.gz MTIMBBMIRVHMFM-HOTGVXAUSA-N 1 3 331.468 0.850 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908952 586825072 /nfs/dbraw/zinc/82/50/72/586825072.db2.gz QFMPYUKMVNTYSV-DOTOQJQBSA-N 1 3 348.495 0.888 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(-c2ccccc2)n1 ZINC000103212088 586825560 /nfs/dbraw/zinc/82/55/60/586825560.db2.gz KBCZAKPGHGCKIO-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO COCc1noc(CN2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000903910579 586825787 /nfs/dbraw/zinc/82/57/87/586825787.db2.gz OEMSSXRUZLUTDD-GOOCMWNKSA-N 1 3 335.452 0.864 20 0 ECADHO COC(=O)[C@@H]1CN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C[C@H]1C1CC1 ZINC000903932207 586826751 /nfs/dbraw/zinc/82/67/51/586826751.db2.gz OPKIYKOBJNOIBB-RRQGHBQHSA-N 1 3 334.464 0.977 20 0 ECADHO COC(=O)[C@@H]1C[N@H+](C[C@H](CN)Cc2cnn(C)c2C)C[C@H]1C1CC1 ZINC000903932207 586826753 /nfs/dbraw/zinc/82/67/53/586826753.db2.gz OPKIYKOBJNOIBB-RRQGHBQHSA-N 1 3 334.464 0.977 20 0 ECADHO COC(=O)[C@@H]1C[N@@H+](C[C@H](CN)Cc2cnn(C)c2C)C[C@H]1C1CC1 ZINC000903932207 586826754 /nfs/dbraw/zinc/82/67/54/586826754.db2.gz OPKIYKOBJNOIBB-RRQGHBQHSA-N 1 3 334.464 0.977 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]2CC[C@@]21CN ZINC000904971421 586851558 /nfs/dbraw/zinc/85/15/58/586851558.db2.gz INABAPWGCJMHAH-MAUKXSAKSA-N 1 3 336.480 0.661 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000904971493 586851664 /nfs/dbraw/zinc/85/16/64/586851664.db2.gz IJEWXIDXFDIJDW-TXPKVOOTSA-N 1 3 348.491 0.803 20 0 ECADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@]43CN)C2)CC1 ZINC000905008596 586859345 /nfs/dbraw/zinc/85/93/45/586859345.db2.gz NYSXADYHBVBUDW-MDZRGWNJSA-N 1 3 348.491 0.517 20 0 ECADHO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@H]1CCCN1C(C)C ZINC000906123170 586933946 /nfs/dbraw/zinc/93/39/46/586933946.db2.gz KDBRUTUNPJTYMK-WBVHZDCISA-N 1 3 327.469 0.665 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)C[C@]2(C)C1 ZINC000906708055 586969108 /nfs/dbraw/zinc/96/91/08/586969108.db2.gz VXKYVYPYZJOJNX-KDOFPFPSSA-N 1 3 328.416 0.638 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)C[C@]2(C)C1 ZINC000906708055 586969110 /nfs/dbraw/zinc/96/91/10/586969110.db2.gz VXKYVYPYZJOJNX-KDOFPFPSSA-N 1 3 328.416 0.638 20 0 ECADHO COC[C@]1(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000844171660 589098164 /nfs/dbraw/zinc/09/81/64/589098164.db2.gz PJYGDOQBTASUOP-WBVHZDCISA-N 1 3 325.453 0.372 20 0 ECADHO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1[nH]nc2c1CNCC2 ZINC000844172388 589098457 /nfs/dbraw/zinc/09/84/57/589098457.db2.gz WTRFDIVRSRWDRP-CYBMUJFWSA-N 1 3 333.436 0.429 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000827936988 588147843 /nfs/dbraw/zinc/14/78/43/588147843.db2.gz ZIWBAJVMKMYANE-QZTJIDSGSA-N 1 3 329.444 0.968 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000845023750 589128585 /nfs/dbraw/zinc/12/85/85/589128585.db2.gz VRXXLMZDYANFDP-CABCVRRESA-N 1 3 339.484 0.275 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000848615886 589303992 /nfs/dbraw/zinc/30/39/92/589303992.db2.gz DGYNMNWOAZWVGP-CVEARBPZSA-N 1 3 348.491 0.722 20 0 ECADHO CC(C)(C)N1CC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000857841776 589712736 /nfs/dbraw/zinc/71/27/36/589712736.db2.gz FBTPILJIPNUATR-HUUCEWRRSA-N 1 3 336.480 0.800 20 0 ECADHO CC(C)(C)N1CC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000857841776 589712739 /nfs/dbraw/zinc/71/27/39/589712739.db2.gz FBTPILJIPNUATR-HUUCEWRRSA-N 1 3 336.480 0.800 20 0 ECADHO CCOC(=O)CCCCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712004 589762087 /nfs/dbraw/zinc/76/20/87/589762087.db2.gz PPSOZVOBUCXUIR-ZNMIVQPWSA-N 1 3 339.436 0.977 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867515356 589797613 /nfs/dbraw/zinc/79/76/13/589797613.db2.gz KDEUDBHFMONRJQ-UGUYLWEFSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867515356 589797616 /nfs/dbraw/zinc/79/76/16/589797616.db2.gz KDEUDBHFMONRJQ-UGUYLWEFSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000861540779 589861552 /nfs/dbraw/zinc/86/15/52/589861552.db2.gz YFIDXVVGBKCTBZ-AWEZNQCLSA-N 1 3 347.463 0.573 20 0 ECADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1 ZINC000868262096 589886814 /nfs/dbraw/zinc/88/68/14/589886814.db2.gz XZOSMWMKUSYJJI-HNNXBMFYSA-N 1 3 348.447 0.306 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)CC[C@H]21 ZINC000868310187 589891388 /nfs/dbraw/zinc/89/13/88/589891388.db2.gz RYJRUHOQDNIRAR-RHSMWYFYSA-N 1 3 342.443 0.823 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)CC[C@H]21 ZINC000868310187 589891390 /nfs/dbraw/zinc/89/13/90/589891390.db2.gz RYJRUHOQDNIRAR-RHSMWYFYSA-N 1 3 342.443 0.823 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000868406807 589902692 /nfs/dbraw/zinc/90/26/92/589902692.db2.gz PJSAIFFQMQUISR-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000868928304 589935946 /nfs/dbraw/zinc/93/59/46/589935946.db2.gz ZEGLVGBXQDSZAP-KGLIPLIRSA-N 1 3 342.484 0.994 20 0 ECADHO C[C@H](CCNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000869242798 589955778 /nfs/dbraw/zinc/95/57/78/589955778.db2.gz NXBGIHXIKVMEHB-OLZOCXBDSA-N 1 3 330.473 0.898 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000869764193 589977484 /nfs/dbraw/zinc/97/74/84/589977484.db2.gz OFBGHYVHSMLHHS-QGZVFWFLSA-N 1 3 338.496 0.193 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000863769075 590036967 /nfs/dbraw/zinc/03/69/67/590036967.db2.gz HNAXOBVDAFSKCI-LBPRGKRZSA-N 1 3 326.466 0.444 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870885262 590037571 /nfs/dbraw/zinc/03/75/71/590037571.db2.gz SASPNWYLDODWBP-CTYIDZIISA-N 1 3 325.453 0.895 20 0 ECADHO NC[C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000870998086 590044111 /nfs/dbraw/zinc/04/41/11/590044111.db2.gz UCKMOEPXRKVDNI-QXSJWSMHSA-N 1 3 344.415 0.122 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCCN(C3CCCC3)CC1)C2 ZINC000872187709 590100581 /nfs/dbraw/zinc/10/05/81/590100581.db2.gz JLYZYWILWOQRPI-HNAYVOBHSA-N 1 3 348.491 0.531 20 0 ECADHO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000872195421 590102571 /nfs/dbraw/zinc/10/25/71/590102571.db2.gz LYJLXOICNRJBNE-OAHLLOKOSA-N 1 3 336.480 0.803 20 0 ECADHO CN1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCN2C2CCCCCC2)CC1 ZINC000872236868 590107375 /nfs/dbraw/zinc/10/73/75/590107375.db2.gz UWXGLSSOFUATSG-RBUKOAKNSA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000872236868 590107377 /nfs/dbraw/zinc/10/73/77/590107377.db2.gz UWXGLSSOFUATSG-RBUKOAKNSA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000872236868 590107378 /nfs/dbraw/zinc/10/73/78/590107378.db2.gz UWXGLSSOFUATSG-RBUKOAKNSA-N 1 3 338.540 0.981 20 0 ECADHO COC(=O)C(C)(C)CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257647 590108901 /nfs/dbraw/zinc/10/89/01/590108901.db2.gz UUSFJTFUVICJBU-UPJWGTAASA-N 1 3 325.409 0.443 20 0 ECADHO O=C1OC[C@]2(C[NH2+]C3CCN(c4ccncc4)CC3)COCCN12 ZINC000872261318 590109493 /nfs/dbraw/zinc/10/94/93/590109493.db2.gz MLOWYEHSDNKJOR-KRWDZBQOSA-N 1 3 332.404 0.861 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NCc3cn(C[C@H]4CCCO4)nn3)C2)CC1 ZINC000865460164 590146655 /nfs/dbraw/zinc/14/66/55/590146655.db2.gz HFDNLGXXBLOZSR-MAUKXSAKSA-N 1 3 348.495 0.715 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NCc3cn(C[C@H]4CCCO4)nn3)C2)CC1 ZINC000865460164 590146656 /nfs/dbraw/zinc/14/66/56/590146656.db2.gz HFDNLGXXBLOZSR-MAUKXSAKSA-N 1 3 348.495 0.715 20 0 ECADHO COC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000873228160 590187115 /nfs/dbraw/zinc/18/71/15/590187115.db2.gz AKNFZHSOWKYETA-GJZGRUSLSA-N 1 3 325.453 0.849 20 0 ECADHO COC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000873228160 590187116 /nfs/dbraw/zinc/18/71/16/590187116.db2.gz AKNFZHSOWKYETA-GJZGRUSLSA-N 1 3 325.453 0.849 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875088143 590269712 /nfs/dbraw/zinc/26/97/12/590269712.db2.gz YAMALKDDMKKLGC-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875088143 590269713 /nfs/dbraw/zinc/26/97/13/590269713.db2.gz YAMALKDDMKKLGC-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC[C@H]21 ZINC000875179053 590278893 /nfs/dbraw/zinc/27/88/93/590278893.db2.gz ZHTFKVDHVKNRRK-OWCLPIDISA-N 1 3 334.464 0.140 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC[C@H]21 ZINC000875179053 590278895 /nfs/dbraw/zinc/27/88/95/590278895.db2.gz ZHTFKVDHVKNRRK-OWCLPIDISA-N 1 3 334.464 0.140 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C1=CC[N@H+](C)CC1 ZINC000875360466 590296003 /nfs/dbraw/zinc/29/60/03/590296003.db2.gz INGRUKTWOGHUCY-CQSZACIVSA-N 1 3 336.480 0.696 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000875360466 590296005 /nfs/dbraw/zinc/29/60/05/590296005.db2.gz INGRUKTWOGHUCY-CQSZACIVSA-N 1 3 336.480 0.696 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876748502 590408579 /nfs/dbraw/zinc/40/85/79/590408579.db2.gz DJCLMYQJVDRWPB-AISUJJHZSA-N 1 3 336.480 0.601 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876759174 590410586 /nfs/dbraw/zinc/41/05/86/590410586.db2.gz NXZDOORXRNBZMI-LLYBFZRZSA-N 1 3 336.480 0.601 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876781173 590414670 /nfs/dbraw/zinc/41/46/70/590414670.db2.gz DMGXVEWQKDPJGO-RDJZCZTQSA-N 1 3 349.454 0.658 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876841433 590418435 /nfs/dbraw/zinc/41/84/35/590418435.db2.gz RNANXCTXIAZOCC-QGZVFWFLSA-N 1 3 327.469 0.573 20 0 ECADHO C[NH+]1CCC(n2cc(NC(=O)c3n[nH]c4c3CNCC4)cn2)CC1 ZINC000877195105 590443943 /nfs/dbraw/zinc/44/39/43/590443943.db2.gz FIOZGWVKMIUMAO-UHFFFAOYSA-N 1 3 329.408 0.771 20 0 ECADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206058 590444604 /nfs/dbraw/zinc/44/46/04/590444604.db2.gz BBSNDPQVAKXUGD-AKTXMBNYSA-N 1 3 340.431 0.754 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCn2cnnn2)CC1 ZINC000878292371 590513202 /nfs/dbraw/zinc/51/32/02/590513202.db2.gz YTZABPZPLXCNAH-UHFFFAOYSA-N 1 3 349.483 0.377 20 0 ECADHO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NC3CCN(C)CC3)[C@@H]2C1 ZINC000878623216 590531659 /nfs/dbraw/zinc/53/16/59/590531659.db2.gz HLIHUFJMNXANRF-UAGQMJEPSA-N 1 3 336.480 0.433 20 0 ECADHO CN(CCN)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883609612 590630783 /nfs/dbraw/zinc/63/07/83/590630783.db2.gz AQYBNQFOINBHJT-MRXNPFEDSA-N 1 3 345.447 0.327 20 0 ECADHO CN(CCN)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883609612 590630787 /nfs/dbraw/zinc/63/07/87/590630787.db2.gz AQYBNQFOINBHJT-MRXNPFEDSA-N 1 3 345.447 0.327 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CCN1c1ccncc1 ZINC000883639700 590637224 /nfs/dbraw/zinc/63/72/24/590637224.db2.gz WNSRXGOGTVKCTQ-KSSFIOAISA-N 1 3 345.447 0.316 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CCN1c1ccncc1 ZINC000883639956 590638658 /nfs/dbraw/zinc/63/86/58/590638658.db2.gz CPLOEQXCBQEMLK-CQSZACIVSA-N 1 3 345.447 0.459 20 0 ECADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000884975850 590659404 /nfs/dbraw/zinc/65/94/04/590659404.db2.gz HMUVUIOASNGVJB-MRXNPFEDSA-N 1 3 338.496 0.953 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885156286 590689781 /nfs/dbraw/zinc/68/97/81/590689781.db2.gz QCKYQTBFLYIVDU-SJORKVTESA-N 1 3 344.459 0.418 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885156286 590689785 /nfs/dbraw/zinc/68/97/85/590689785.db2.gz QCKYQTBFLYIVDU-SJORKVTESA-N 1 3 344.459 0.418 20 0 ECADHO C[NH+](C)C1(CNC(=O)c2ccnc(N3CCNCC3)c2)CCOCC1 ZINC000884219249 590779230 /nfs/dbraw/zinc/77/92/30/590779230.db2.gz LALBHAWKTQPSNM-UHFFFAOYSA-N 1 3 347.463 0.332 20 0 ECADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000885893241 590780032 /nfs/dbraw/zinc/78/00/32/590780032.db2.gz MUUGAQJPPWGFPZ-DOTOQJQBSA-N 1 3 325.453 0.203 20 0 ECADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000885893241 590780037 /nfs/dbraw/zinc/78/00/37/590780037.db2.gz MUUGAQJPPWGFPZ-DOTOQJQBSA-N 1 3 325.453 0.203 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000884291366 590799009 /nfs/dbraw/zinc/79/90/09/590799009.db2.gz WUNORJTWSKOWAT-KRWDZBQOSA-N 1 3 343.475 0.953 20 0 ECADHO C[NH2+]CCOc1ccccc1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000884311664 590801805 /nfs/dbraw/zinc/80/18/05/590801805.db2.gz IYEWDUBMVCWYDM-UHFFFAOYSA-N 1 3 348.491 0.994 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CCSC1 ZINC000884612316 590871946 /nfs/dbraw/zinc/87/19/46/590871946.db2.gz JILLAVOBGHIWDP-CJNGLKHVSA-N 1 3 342.509 0.270 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CCCCCC[NH3+])CCSC1 ZINC000884612878 590871961 /nfs/dbraw/zinc/87/19/61/590871961.db2.gz WUCIPFFASMVEOZ-INIZCTEOSA-N 1 3 344.525 0.517 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000884618147 590873390 /nfs/dbraw/zinc/87/33/90/590873390.db2.gz XUUPGIQJPJECCL-HNNXBMFYSA-N 1 3 326.485 0.955 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1=CCN(C)CC1 ZINC000884623788 590874968 /nfs/dbraw/zinc/87/49/68/590874968.db2.gz OPZDOETVYLBOPY-LUYZLQTOSA-N 1 3 334.464 0.400 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000884651951 590884119 /nfs/dbraw/zinc/88/41/19/590884119.db2.gz DYMPWUAJVKIHMT-HOCLYGCPSA-N 1 3 344.459 0.715 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)C1(CN)CCCCC1)C[NH+]1CCCC1 ZINC000884669583 590887596 /nfs/dbraw/zinc/88/75/96/590887596.db2.gz AAFKWTQOPCDDOH-HNNXBMFYSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884683030 590892497 /nfs/dbraw/zinc/89/24/97/590892497.db2.gz SKOCKEOBUDXSTO-CABCVRRESA-N 1 3 345.447 0.377 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884690682 590897527 /nfs/dbraw/zinc/89/75/27/590897527.db2.gz IYFNOQUZMZNCBY-OAHLLOKOSA-N 1 3 347.463 0.623 20 0 ECADHO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884705711 590902446 /nfs/dbraw/zinc/90/24/46/590902446.db2.gz FIWOPQURDXNXAQ-OLZOCXBDSA-N 1 3 340.468 0.158 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884705711 590902449 /nfs/dbraw/zinc/90/24/49/590902449.db2.gz FIWOPQURDXNXAQ-OLZOCXBDSA-N 1 3 340.468 0.158 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884705711 590902450 /nfs/dbraw/zinc/90/24/50/590902450.db2.gz FIWOPQURDXNXAQ-OLZOCXBDSA-N 1 3 340.468 0.158 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884715928 590906447 /nfs/dbraw/zinc/90/64/47/590906447.db2.gz IJPQACSPIIYDGF-HUUCEWRRSA-N 1 3 345.447 0.377 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887081717 590940425 /nfs/dbraw/zinc/94/04/25/590940425.db2.gz YZSXYVJPAQZTJH-GOSISDBHSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889743756 591076624 /nfs/dbraw/zinc/07/66/24/591076624.db2.gz IEHHVBPIHJXCCU-DLBZAZTESA-N 1 3 337.464 0.155 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000890065832 591124436 /nfs/dbraw/zinc/12/44/36/591124436.db2.gz NPHLTEXOLXYGTI-IAGOWNOFSA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000890065832 591124439 /nfs/dbraw/zinc/12/44/39/591124439.db2.gz NPHLTEXOLXYGTI-IAGOWNOFSA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000890065832 591124443 /nfs/dbraw/zinc/12/44/43/591124443.db2.gz NPHLTEXOLXYGTI-IAGOWNOFSA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000890065837 591124467 /nfs/dbraw/zinc/12/44/67/591124467.db2.gz NPHLTEXOLXYGTI-SJORKVTESA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000890065837 591124468 /nfs/dbraw/zinc/12/44/68/591124468.db2.gz NPHLTEXOLXYGTI-SJORKVTESA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000890065837 591124470 /nfs/dbraw/zinc/12/44/70/591124470.db2.gz NPHLTEXOLXYGTI-SJORKVTESA-N 1 3 337.512 0.891 20 0 ECADHO C[NH+]1CCC2(CCN2C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000929991555 611376625 /nfs/dbraw/zinc/37/66/25/611376625.db2.gz GTCNYYTVTKCAMO-OAHLLOKOSA-N 1 3 334.464 0.284 20 0 ECADHO COCCC[N@H+](C)CCN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924696946 611423838 /nfs/dbraw/zinc/42/38/38/611423838.db2.gz XHTZONKKYDUJDC-CQSZACIVSA-N 1 3 326.441 0.361 20 0 ECADHO COCCC[N@@H+](C)CCN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924696946 611423839 /nfs/dbraw/zinc/42/38/39/611423839.db2.gz XHTZONKKYDUJDC-CQSZACIVSA-N 1 3 326.441 0.361 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2CC1 ZINC000946798043 611486955 /nfs/dbraw/zinc/48/69/55/611486955.db2.gz OWHNPIKVOJPGJX-VNHYZAJKSA-N 1 3 331.420 0.011 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1 ZINC000946798043 611486957 /nfs/dbraw/zinc/48/69/57/611486957.db2.gz OWHNPIKVOJPGJX-VNHYZAJKSA-N 1 3 331.420 0.011 20 0 ECADHO NC(=O)[C@@](O)(C[NH+]1CCC(N2CCCOCC2)CC1)c1ccccc1 ZINC000931284916 611528800 /nfs/dbraw/zinc/52/88/00/611528800.db2.gz DRCLPYURFKQNGJ-LJQANCHMSA-N 1 3 347.459 0.546 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000931538327 611548175 /nfs/dbraw/zinc/54/81/75/611548175.db2.gz HWTIWSUROBMYPZ-CVEARBPZSA-N 1 3 336.480 0.800 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000931538327 611548177 /nfs/dbraw/zinc/54/81/77/611548177.db2.gz HWTIWSUROBMYPZ-CVEARBPZSA-N 1 3 336.480 0.800 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC000954838496 608638549 /nfs/dbraw/zinc/63/85/49/608638549.db2.gz CZBYAODVCUFZLN-CXAGYDPISA-N 1 3 336.480 0.338 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC000954838496 608638551 /nfs/dbraw/zinc/63/85/51/608638551.db2.gz CZBYAODVCUFZLN-CXAGYDPISA-N 1 3 336.480 0.338 20 0 ECADHO CC(C)n1nnc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000933455649 608754878 /nfs/dbraw/zinc/75/48/78/608754878.db2.gz RKFRDFYWCCLLKM-LBPRGKRZSA-N 1 3 326.449 0.648 20 0 ECADHO CC(C)n1nnc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000933455649 608754881 /nfs/dbraw/zinc/75/48/81/608754881.db2.gz RKFRDFYWCCLLKM-LBPRGKRZSA-N 1 3 326.449 0.648 20 0 ECADHO CCO[C@@H](CNC(=O)NC[C@@H]1CCCCN1CCO)C[NH+](C)C ZINC000926847423 609061018 /nfs/dbraw/zinc/06/10/18/609061018.db2.gz ULLWTSFRQXEEFX-GJZGRUSLSA-N 1 3 330.473 0.099 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CCN1c1cc[nH+]cc1 ZINC000910553162 609731760 /nfs/dbraw/zinc/73/17/60/609731760.db2.gz DKGWGHWGUYNRLM-CQSZACIVSA-N 1 3 333.436 0.139 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C[C@]2(C)C1 ZINC000910603822 609738055 /nfs/dbraw/zinc/73/80/55/609738055.db2.gz VBTYSGRPIFMYNY-VKJFTORMSA-N 1 3 334.464 0.093 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C[C@]2(C)C1 ZINC000910603822 609738056 /nfs/dbraw/zinc/73/80/56/609738056.db2.gz VBTYSGRPIFMYNY-VKJFTORMSA-N 1 3 334.464 0.093 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)N1CCCCC1 ZINC000910946210 609784920 /nfs/dbraw/zinc/78/49/20/609784920.db2.gz HUXJPWFEVMMMIN-HDMKZQKVSA-N 1 3 336.480 0.625 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000910972067 609786118 /nfs/dbraw/zinc/78/61/18/609786118.db2.gz OXPPGSIHJWYQAX-HZPDHXFCSA-N 1 3 346.475 0.471 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911027592 609791909 /nfs/dbraw/zinc/79/19/09/609791909.db2.gz FBQUUOOOMULYMQ-OWCLPIDISA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N(C)Cc1ccccc1 ZINC000911010168 609793886 /nfs/dbraw/zinc/79/38/86/609793886.db2.gz WQXKMJNALIPOIJ-QMCVQRASSA-N 1 3 344.459 0.632 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911055343 609796029 /nfs/dbraw/zinc/79/60/29/609796029.db2.gz NKWNUKCTEMZCAG-RKVPGOIHSA-N 1 3 336.480 0.707 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911077843 609801862 /nfs/dbraw/zinc/80/18/62/609801862.db2.gz IMZOVXRKQZRYTC-XJNFMUPTSA-N 1 3 344.459 0.716 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C[NH+]1CCCC1 ZINC000911269883 609834274 /nfs/dbraw/zinc/83/42/74/609834274.db2.gz PNRPXTKTCZHGBX-KBRIMQKVSA-N 1 3 344.459 0.575 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000911324339 609847831 /nfs/dbraw/zinc/84/78/31/609847831.db2.gz APKOZDFJPPSVNZ-CYJAXWMASA-N 1 3 348.491 0.849 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000938567762 609874841 /nfs/dbraw/zinc/87/48/41/609874841.db2.gz GGXIOXHYKPQGHJ-CVEARBPZSA-N 1 3 345.447 0.353 20 0 ECADHO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000911528723 609885820 /nfs/dbraw/zinc/88/58/20/609885820.db2.gz QJXFTRLKKLCTPI-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000911537021 609896193 /nfs/dbraw/zinc/89/61/93/609896193.db2.gz QLIHDZDJHHFWOW-NUEKZKHPSA-N 1 3 334.464 0.472 20 0 ECADHO CN1CCNC[C@@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000911744003 609909065 /nfs/dbraw/zinc/90/90/65/609909065.db2.gz FNIFOUYSBCZGRD-MRXNPFEDSA-N 1 3 346.431 0.438 20 0 ECADHO CC(C)CN1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000917064992 609960177 /nfs/dbraw/zinc/96/01/77/609960177.db2.gz XHOMWWOOFYEIQN-UHFFFAOYSA-N 1 3 337.468 0.234 20 0 ECADHO CCn1nncc1CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939256897 610131898 /nfs/dbraw/zinc/13/18/98/610131898.db2.gz GHSJDFIXWBSRFJ-RHSMWYFYSA-N 1 3 348.495 0.966 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908317 610168490 /nfs/dbraw/zinc/16/84/90/610168490.db2.gz MTDCZQKXFNKMDT-HNNXBMFYSA-N 1 3 345.447 0.640 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908685 610168992 /nfs/dbraw/zinc/16/89/92/610168992.db2.gz SGJVFQQNZNETGX-ZFWWWQNUSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908685 610168993 /nfs/dbraw/zinc/16/89/93/610168993.db2.gz SGJVFQQNZNETGX-ZFWWWQNUSA-N 1 3 333.436 0.353 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000942248720 610356710 /nfs/dbraw/zinc/35/67/10/610356710.db2.gz ONQGEDRKLSHYFK-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000942248720 610356711 /nfs/dbraw/zinc/35/67/11/610356711.db2.gz ONQGEDRKLSHYFK-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)CC1 ZINC000941545302 610370060 /nfs/dbraw/zinc/37/00/60/610370060.db2.gz WEAOZQSZDRFIEE-UHFFFAOYSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@@H]1CN(CC(=O)N(C)C)CC[C@H]1NC(=O)c1ccn2cncc2c1 ZINC000942289905 610381696 /nfs/dbraw/zinc/38/16/96/610381696.db2.gz YNBUPAISXZGTEG-CZUORRHYSA-N 1 3 343.431 0.863 20 0 ECADHO C[C@@H]1C[N@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)c1ccn2cncc2c1 ZINC000942289905 610381698 /nfs/dbraw/zinc/38/16/98/610381698.db2.gz YNBUPAISXZGTEG-CZUORRHYSA-N 1 3 343.431 0.863 20 0 ECADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)c1ccn2cncc2c1 ZINC000942289905 610381701 /nfs/dbraw/zinc/38/17/01/610381701.db2.gz YNBUPAISXZGTEG-CZUORRHYSA-N 1 3 343.431 0.863 20 0 ECADHO O=C(N1CCN(C2CN(CC3CCC3)C2)CC1)C12CC[NH+](CC1)C2 ZINC000941641130 610434799 /nfs/dbraw/zinc/43/47/99/610434799.db2.gz VFCWNNPMRAOOKQ-UHFFFAOYSA-N 1 3 332.492 0.711 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000940952164 610445709 /nfs/dbraw/zinc/44/57/09/610445709.db2.gz KHALWTAENVPVGX-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000940952164 610445712 /nfs/dbraw/zinc/44/57/12/610445712.db2.gz KHALWTAENVPVGX-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000941931558 610568971 /nfs/dbraw/zinc/56/89/71/610568971.db2.gz CHTQWAPPDYRNGR-CABCVRRESA-N 1 3 345.447 0.320 20 0 ECADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000942715340 610580531 /nfs/dbraw/zinc/58/05/31/610580531.db2.gz OAKPIUOCMAPOMO-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000941991762 610599147 /nfs/dbraw/zinc/59/91/47/610599147.db2.gz WNOMNBAOBAAERC-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC000941216253 610601087 /nfs/dbraw/zinc/60/10/87/610601087.db2.gz MJEWYECDFKLYKJ-OAGGEKHMSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC000941216253 610601090 /nfs/dbraw/zinc/60/10/90/610601090.db2.gz MJEWYECDFKLYKJ-OAGGEKHMSA-N 1 3 338.496 0.728 20 0 ECADHO CCOC(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000923198523 611213665 /nfs/dbraw/zinc/21/36/65/611213665.db2.gz IFJXEABSNJEOPT-GJZGRUSLSA-N 1 3 342.484 0.853 20 0 ECADHO CCOC(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000923198523 611213663 /nfs/dbraw/zinc/21/36/63/611213663.db2.gz IFJXEABSNJEOPT-GJZGRUSLSA-N 1 3 342.484 0.853 20 0 ECADHO COC[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000923199892 611213674 /nfs/dbraw/zinc/21/36/74/611213674.db2.gz YFCIHZFHCSACMV-LSDHHAIUSA-N 1 3 330.473 0.315 20 0 ECADHO COC[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000923199892 611213675 /nfs/dbraw/zinc/21/36/75/611213675.db2.gz YFCIHZFHCSACMV-LSDHHAIUSA-N 1 3 330.473 0.315 20 0 ECADHO CCN(CC)C(=O)CN1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923318113 611227892 /nfs/dbraw/zinc/22/78/92/611227892.db2.gz DPEIMOOTTQOXNF-MRXNPFEDSA-N 1 3 338.496 0.241 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCO[C@@H]2CCOC2)CC1 ZINC000923398082 611237961 /nfs/dbraw/zinc/23/79/61/611237961.db2.gz HAOCKYYNHZHNSX-QLFBSQMISA-N 1 3 325.409 0.049 20 0 ECADHO CCOCCOCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397769 611238127 /nfs/dbraw/zinc/23/81/27/611238127.db2.gz DLTKDYUWPKJDQG-CABCVRRESA-N 1 3 327.425 0.297 20 0 ECADHO C[C@H]1CN(CC(=O)NCCOc2ccc3c(c2)OCO3)CC[C@H]1C[NH3+] ZINC000923495828 611251040 /nfs/dbraw/zinc/25/10/40/611251040.db2.gz FLVKMWIOPYAAKM-KBPBESRZSA-N 1 3 349.431 0.827 20 0 ECADHO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518607 611297506 /nfs/dbraw/zinc/29/75/06/611297506.db2.gz ZEABOVKNOFPPEE-XHSDSOJGSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518607 611297509 /nfs/dbraw/zinc/29/75/09/611297509.db2.gz ZEABOVKNOFPPEE-XHSDSOJGSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)N2CCNCC2)C1 ZINC000923608322 611328703 /nfs/dbraw/zinc/32/87/03/611328703.db2.gz PZDKQXFNPIUJGL-AWEZNQCLSA-N 1 3 332.514 0.627 20 0 ECADHO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)N2CCNCC2)C1 ZINC000923608322 611328704 /nfs/dbraw/zinc/32/87/04/611328704.db2.gz PZDKQXFNPIUJGL-AWEZNQCLSA-N 1 3 332.514 0.627 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000951238544 612096814 /nfs/dbraw/zinc/09/68/14/612096814.db2.gz KHOZKTNKNZVHEF-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000951425801 612225286 /nfs/dbraw/zinc/22/52/86/612225286.db2.gz HEGBOBMKZBJSPG-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000953904953 612420309 /nfs/dbraw/zinc/42/03/09/612420309.db2.gz NWXDVEPJFAKFMX-MRXNPFEDSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000955340294 612462073 /nfs/dbraw/zinc/46/20/73/612462073.db2.gz JQBRAVMKCIFTOE-IIAWOOMASA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000955340294 612462076 /nfs/dbraw/zinc/46/20/76/612462076.db2.gz JQBRAVMKCIFTOE-IIAWOOMASA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@H](C(=O)N1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000953947636 612476856 /nfs/dbraw/zinc/47/68/56/612476856.db2.gz DQVGMAIMTHROLE-GOEBONIOSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000953947636 612476859 /nfs/dbraw/zinc/47/68/59/612476859.db2.gz DQVGMAIMTHROLE-GOEBONIOSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC(N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000955445625 612595631 /nfs/dbraw/zinc/59/56/31/612595631.db2.gz MBYNAEMPDGNALO-STQMWFEESA-N 1 3 333.436 0.352 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC(N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000955445625 612595633 /nfs/dbraw/zinc/59/56/33/612595633.db2.gz MBYNAEMPDGNALO-STQMWFEESA-N 1 3 333.436 0.352 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325314 612856586 /nfs/dbraw/zinc/85/65/86/612856586.db2.gz GSDXUFKHHLYNJN-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325314 612856590 /nfs/dbraw/zinc/85/65/90/612856590.db2.gz GSDXUFKHHLYNJN-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954326746 612858173 /nfs/dbraw/zinc/85/81/73/612858173.db2.gz UVYACMGDRSKXLO-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954326746 612858175 /nfs/dbraw/zinc/85/81/75/612858175.db2.gz UVYACMGDRSKXLO-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C2CN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000955083339 612890339 /nfs/dbraw/zinc/89/03/39/612890339.db2.gz SXGUJPLJRIJVTR-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C2CN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000955083339 612890341 /nfs/dbraw/zinc/89/03/41/612890341.db2.gz SXGUJPLJRIJVTR-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@H](F)CN(CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098561032 735457247 /nfs/dbraw/zinc/45/72/47/735457247.db2.gz NOKKWHXXDVXDOP-CABCVRRESA-N 1 3 329.460 0.972 20 0 ECADHO CC[C@H](F)CN(CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098561032 735457252 /nfs/dbraw/zinc/45/72/52/735457252.db2.gz NOKKWHXXDVXDOP-CABCVRRESA-N 1 3 329.460 0.972 20 0 ECADHO O=C(NC[C@H]1CCCCCN1CCn1cncn1)C12CC[NH+](CC1)C2 ZINC000969118489 731485887 /nfs/dbraw/zinc/48/58/87/731485887.db2.gz QEAHDZZVJDWVHZ-MRXNPFEDSA-N 1 3 346.479 0.735 20 0 ECADHO O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H](NCc2cncs2)C1 ZINC000969408512 731811497 /nfs/dbraw/zinc/81/14/97/731811497.db2.gz PAEORJRRDNOPBG-PTSUJKEJSA-N 1 3 348.472 0.697 20 0 ECADHO O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@@H](NCc2cncs2)C1 ZINC000969408512 731811499 /nfs/dbraw/zinc/81/14/99/731811499.db2.gz PAEORJRRDNOPBG-PTSUJKEJSA-N 1 3 348.472 0.697 20 0 ECADHO CCCCNC(=O)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405869 731869987 /nfs/dbraw/zinc/86/99/87/731869987.db2.gz QECNKZXUNZZVSG-UHFFFAOYSA-N 1 3 338.496 0.871 20 0 ECADHO O=C(CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1)N1CCC1 ZINC000969458827 731907746 /nfs/dbraw/zinc/90/77/46/731907746.db2.gz ZZIXXBHIELOZTK-WBVHZDCISA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)(C(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1)[NH+]1CCCC1 ZINC000969561018 731974907 /nfs/dbraw/zinc/97/49/07/731974907.db2.gz YVQGRIKXQJSKBR-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CN(C(C)C)CCO3)C2)on1 ZINC000969704593 732062340 /nfs/dbraw/zinc/06/23/40/732062340.db2.gz CBEAXVNRRNLUNE-ZBFHGGJFSA-N 1 3 336.436 0.783 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000969948911 732554653 /nfs/dbraw/zinc/55/46/53/732554653.db2.gz NGSZXUDXHKRDKA-GOEBONIOSA-N 1 3 332.448 0.560 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000969952486 732557105 /nfs/dbraw/zinc/55/71/05/732557105.db2.gz WXYQHDOTQQTMPG-DZGCQCFKSA-N 1 3 334.468 0.781 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000969952486 732557108 /nfs/dbraw/zinc/55/71/08/732557108.db2.gz WXYQHDOTQQTMPG-DZGCQCFKSA-N 1 3 334.468 0.781 20 0 ECADHO Cn1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)cc1=O ZINC001025100441 738647838 /nfs/dbraw/zinc/64/78/38/738647838.db2.gz IGTQEANURALMSB-MRXNPFEDSA-N 1 3 343.431 0.822 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CCn3cncn3)CC2)C1 ZINC001167232904 733077653 /nfs/dbraw/zinc/07/76/53/733077653.db2.gz UECPOJNCXGEWCJ-OAHLLOKOSA-N 1 3 334.468 0.496 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(CNCc2cnnn2C)CC1 ZINC001167236846 733083750 /nfs/dbraw/zinc/08/37/50/733083750.db2.gz QPYMVKSPAXPCLG-HIFRSBDPSA-N 1 3 334.468 0.389 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(CNCc2cnnn2C)CC1 ZINC001167236846 733083753 /nfs/dbraw/zinc/08/37/53/733083753.db2.gz QPYMVKSPAXPCLG-HIFRSBDPSA-N 1 3 334.468 0.389 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NCC(C)C)CC1)N(C)C ZINC001167260798 733105057 /nfs/dbraw/zinc/10/50/57/733105057.db2.gz KKDNJXDCGDNLFS-HNNXBMFYSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCCS(C)(=O)=O)CC1)N(C)C ZINC001167260976 733105158 /nfs/dbraw/zinc/10/51/58/733105158.db2.gz SVOXHVMEQYTHFC-AWEZNQCLSA-N 1 3 347.525 0.637 20 0 ECADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(CCc2ccnn2C)C1 ZINC000970366192 733424816 /nfs/dbraw/zinc/42/48/16/733424816.db2.gz JRHYCTAVZBZESQ-CQSZACIVSA-N 1 3 333.480 0.741 20 0 ECADHO O=C(CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCCCCC1 ZINC000970490349 733609744 /nfs/dbraw/zinc/60/97/44/733609744.db2.gz PWNHAYPWGBSCPX-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104287322 733723153 /nfs/dbraw/zinc/72/31/53/733723153.db2.gz CPMUKDOJFZLYTO-HZPDHXFCSA-N 1 3 348.495 0.837 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104288416 733740339 /nfs/dbraw/zinc/74/03/39/733740339.db2.gz ZLFMMICVAZSCJN-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000970718335 733869273 /nfs/dbraw/zinc/86/92/73/733869273.db2.gz SEIIDSLTWSDKBQ-LSDHHAIUSA-N 1 3 343.493 0.098 20 0 ECADHO Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)cn1 ZINC000970725642 733881138 /nfs/dbraw/zinc/88/11/38/733881138.db2.gz IAQQSMMDXQPRMD-GOEBONIOSA-N 1 3 347.463 0.444 20 0 ECADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211257847 734227834 /nfs/dbraw/zinc/22/78/34/734227834.db2.gz VNNKUJFKEXASCS-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO Cc1cccc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174291 782427202 /nfs/dbraw/zinc/42/72/02/782427202.db2.gz HNPLKPYPUPPEOF-KBAYOESNSA-N 1 3 331.460 0.916 20 0 ECADHO Cc1cccc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174291 782427207 /nfs/dbraw/zinc/42/72/07/782427207.db2.gz HNPLKPYPUPPEOF-KBAYOESNSA-N 1 3 331.460 0.916 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971543523 734732066 /nfs/dbraw/zinc/73/20/66/734732066.db2.gz RFKSWYMJRXXQAW-DLBZAZTESA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000971561125 734753726 /nfs/dbraw/zinc/75/37/26/734753726.db2.gz SGJRPFPHSWNPBU-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000971561125 734753731 /nfs/dbraw/zinc/75/37/31/734753731.db2.gz SGJRPFPHSWNPBU-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)NC(C)C)CC1 ZINC001167480640 734821340 /nfs/dbraw/zinc/82/13/40/734821340.db2.gz OJRSTOZDBYGNBU-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCc3cnn(C)c3)C2)C1 ZINC000972336713 735964251 /nfs/dbraw/zinc/96/42/51/735964251.db2.gz YWCKDDHGGADNSK-NVXWUHKLSA-N 1 3 333.480 0.837 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCc3cnn(C)c3)C2)C1 ZINC000972336713 735964252 /nfs/dbraw/zinc/96/42/52/735964252.db2.gz YWCKDDHGGADNSK-NVXWUHKLSA-N 1 3 333.480 0.837 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022973705 736346955 /nfs/dbraw/zinc/34/69/55/736346955.db2.gz VIFZQXQVNXKMGG-SOUVJXGZSA-N 1 3 334.468 0.685 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022973705 736346960 /nfs/dbraw/zinc/34/69/60/736346960.db2.gz VIFZQXQVNXKMGG-SOUVJXGZSA-N 1 3 334.468 0.685 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN([C@H]3CCCNC3=O)C2)CC1 ZINC001023569721 737023710 /nfs/dbraw/zinc/02/37/10/737023710.db2.gz QJGXGFBNQRKSMK-ZBFHGGJFSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(N1CC[C@]2(C1)CN(C[C@H]1CCOC1)CCO2)C12CC[NH+](CC1)C2 ZINC000972640919 737204900 /nfs/dbraw/zinc/20/49/00/737204900.db2.gz OVDNFHPHBSKAQK-VQIMIIECSA-N 1 3 349.475 0.422 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(CCN3CCCC3=O)C2)C1 ZINC001023750287 737296340 /nfs/dbraw/zinc/29/63/40/737296340.db2.gz JSUSWDBXKVZPEQ-HZPDHXFCSA-N 1 3 336.480 0.389 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(CCN3CCCC3=O)C2)C1 ZINC001023750287 737296345 /nfs/dbraw/zinc/29/63/45/737296345.db2.gz JSUSWDBXKVZPEQ-HZPDHXFCSA-N 1 3 336.480 0.389 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)nn1 ZINC001023889358 737464401 /nfs/dbraw/zinc/46/44/01/737464401.db2.gz NCPZPDOBRCITQZ-HOCLYGCPSA-N 1 3 347.463 0.908 20 0 ECADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738210 737574833 /nfs/dbraw/zinc/57/48/33/737574833.db2.gz SSPIBSYTLYLKBU-HLLBOEOZSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738210 737574836 /nfs/dbraw/zinc/57/48/36/737574836.db2.gz SSPIBSYTLYLKBU-HLLBOEOZSA-N 1 3 348.491 0.482 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001024211650 737816086 /nfs/dbraw/zinc/81/60/86/737816086.db2.gz FQXOEDSYIGDMNK-HOTGVXAUSA-N 1 3 336.480 0.435 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024237960 737844940 /nfs/dbraw/zinc/84/49/40/737844940.db2.gz XODVTHHFFSMSQI-HUUCEWRRSA-N 1 3 334.468 0.485 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024237960 737844943 /nfs/dbraw/zinc/84/49/43/737844943.db2.gz XODVTHHFFSMSQI-HUUCEWRRSA-N 1 3 334.468 0.485 20 0 ECADHO O=C(NC[C@H]1CCCC[N@H+]1CCCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001024561578 738108822 /nfs/dbraw/zinc/10/88/22/738108822.db2.gz SFOPUDLUPUALOK-NDUQDZPOSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(NC[C@H]1CCCC[N@@H+]1CCCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001024561578 738108824 /nfs/dbraw/zinc/10/88/24/738108824.db2.gz SFOPUDLUPUALOK-NDUQDZPOSA-N 1 3 337.464 0.203 20 0 ECADHO CC[C@@H](C(=O)N1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001006456259 751404639 /nfs/dbraw/zinc/40/46/39/751404639.db2.gz KTJCMUHIWVYBNT-HIFRSBDPSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001006460167 751410115 /nfs/dbraw/zinc/41/01/15/751410115.db2.gz ZLSYTNIIVKVXNV-LSDHHAIUSA-N 1 3 348.491 0.387 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025809016 739975600 /nfs/dbraw/zinc/97/56/00/739975600.db2.gz MVWAGNLVTOALRB-JKJDWNRSSA-N 1 3 334.464 0.186 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025809016 739975603 /nfs/dbraw/zinc/97/56/03/739975603.db2.gz MVWAGNLVTOALRB-JKJDWNRSSA-N 1 3 334.464 0.186 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818060 739992040 /nfs/dbraw/zinc/99/20/40/739992040.db2.gz OJDAPIWEIMYUJG-ZBRFXRBCSA-N 1 3 343.475 0.946 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818060 739992043 /nfs/dbraw/zinc/99/20/43/739992043.db2.gz OJDAPIWEIMYUJG-ZBRFXRBCSA-N 1 3 343.475 0.946 20 0 ECADHO Cc1cc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001026045311 740331963 /nfs/dbraw/zinc/33/19/63/740331963.db2.gz YJOSJGUNZHFSEV-ZVGAHRMSSA-N 1 3 345.491 0.744 20 0 ECADHO Cc1cc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001026045311 740331969 /nfs/dbraw/zinc/33/19/69/740331969.db2.gz YJOSJGUNZHFSEV-ZVGAHRMSSA-N 1 3 345.491 0.744 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001104939465 740983312 /nfs/dbraw/zinc/98/33/12/740983312.db2.gz QUNQBTJWPODCPZ-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO Cn1nccc1CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]12 ZINC001026368215 741076139 /nfs/dbraw/zinc/07/61/39/741076139.db2.gz YBYZOFCSGBXCFL-XOKHGSTOSA-N 1 3 342.447 0.755 20 0 ECADHO CCn1nncc1CNCC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008263 741160476 /nfs/dbraw/zinc/16/04/76/741160476.db2.gz WILICRWIUKXLHJ-BZUAXINKSA-N 1 3 348.495 0.824 20 0 ECADHO CCn1nncc1CNCC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008263 741160478 /nfs/dbraw/zinc/16/04/78/741160478.db2.gz WILICRWIUKXLHJ-BZUAXINKSA-N 1 3 348.495 0.824 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(N)=O)[C@H]2C1 ZINC001026426334 741354695 /nfs/dbraw/zinc/35/46/95/741354695.db2.gz KGZJQRXVQVVTNQ-XIRDDKMYSA-N 1 3 344.459 0.674 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001105243694 741542850 /nfs/dbraw/zinc/54/28/50/741542850.db2.gz GGOAMRCPXUQFRY-HOCLYGCPSA-N 1 3 348.451 0.024 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001105243694 741542853 /nfs/dbraw/zinc/54/28/53/741542853.db2.gz GGOAMRCPXUQFRY-HOCLYGCPSA-N 1 3 348.451 0.024 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001026735037 741733666 /nfs/dbraw/zinc/73/36/66/741733666.db2.gz YESSUDVTQUOWPF-UKRRQHHQSA-N 1 3 333.436 0.518 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001026735100 741734101 /nfs/dbraw/zinc/73/41/01/741734101.db2.gz YOIOGMCKPSLNPR-DOTOQJQBSA-N 1 3 344.459 0.818 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026734291 741738935 /nfs/dbraw/zinc/73/89/35/741738935.db2.gz MLDXDHUVVGZQRX-GJZGRUSLSA-N 1 3 334.468 0.639 20 0 ECADHO C[NH+](C)CCC(=O)N1CC(n2cc(CNCC3CCCC3)nn2)C1 ZINC001105320772 741775009 /nfs/dbraw/zinc/77/50/09/741775009.db2.gz IWGDESOLTCRFBC-UHFFFAOYSA-N 1 3 334.468 0.893 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001026848031 741956745 /nfs/dbraw/zinc/95/67/45/741956745.db2.gz RYDBQXXXUDXGPQ-CZUORRHYSA-N 1 3 348.447 0.963 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)CCC1 ZINC001026885980 742026391 /nfs/dbraw/zinc/02/63/91/742026391.db2.gz QISDQACRNXJHLX-MRXNPFEDSA-N 1 3 346.475 0.808 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC001026891541 742034716 /nfs/dbraw/zinc/03/47/16/742034716.db2.gz XRZBNOJGKZNRKL-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001026901983 742053223 /nfs/dbraw/zinc/05/32/23/742053223.db2.gz XNOREUBTHJGHLG-HOCLYGCPSA-N 1 3 336.484 0.822 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccnc(OC)n2)C1)N(C)C ZINC001026916533 742092692 /nfs/dbraw/zinc/09/26/92/742092692.db2.gz JJAVXGYDQSRULC-DZGCQCFKSA-N 1 3 335.452 0.764 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)nn2)C1)N(C)C ZINC001027068798 742425282 /nfs/dbraw/zinc/42/52/82/742425282.db2.gz DXBWBGRQIMPCSJ-HIFRSBDPSA-N 1 3 335.452 0.764 20 0 ECADHO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001027066114 742439150 /nfs/dbraw/zinc/43/91/50/742439150.db2.gz LZSFKASHTPZBDY-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1=O ZINC001020543192 751780448 /nfs/dbraw/zinc/78/04/48/751780448.db2.gz CNGHNOGKXYAODM-HDJSIYSDSA-N 1 3 349.431 0.727 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001027170950 742991636 /nfs/dbraw/zinc/99/16/36/742991636.db2.gz RMYIRHOJNOMSMJ-KBPBESRZSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027170950 742991644 /nfs/dbraw/zinc/99/16/44/742991644.db2.gz RMYIRHOJNOMSMJ-KBPBESRZSA-N 1 3 336.436 0.963 20 0 ECADHO C[C@@H]1CCCN(C(=O)C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000997041587 743162425 /nfs/dbraw/zinc/16/24/25/743162425.db2.gz LZDBDIFJZUBRBR-CQSZACIVSA-N 1 3 347.463 0.791 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027235592 743251387 /nfs/dbraw/zinc/25/13/87/743251387.db2.gz SPMGVOULMASBSW-RHSMWYFYSA-N 1 3 344.459 0.688 20 0 ECADHO CC1CCN(CC(=O)N2CCC([NH2+]CCn3cncn3)CC2)CC1 ZINC000997115242 743252177 /nfs/dbraw/zinc/25/21/77/743252177.db2.gz KXBIPCLOODEGJU-UHFFFAOYSA-N 1 3 334.468 0.591 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CNCc2nncn2C)C1 ZINC001027235853 743252462 /nfs/dbraw/zinc/25/24/62/743252462.db2.gz WYSBSEKQQHVCJT-HUUCEWRRSA-N 1 3 334.468 0.628 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CNCc2nncn2C)C1 ZINC001027235853 743252466 /nfs/dbraw/zinc/25/24/66/743252466.db2.gz WYSBSEKQQHVCJT-HUUCEWRRSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H](NC(=O)c1ccn2c[nH+]cc2c1)C1CCN(CC(N)=O)CC1 ZINC000997205583 743350514 /nfs/dbraw/zinc/35/05/14/743350514.db2.gz NGABTUHRNXKMBF-GFCCVEGCSA-N 1 3 329.404 0.650 20 0 ECADHO COc1coc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)cc1=O ZINC001020587457 751848156 /nfs/dbraw/zinc/84/81/56/751848156.db2.gz GZMOACNRIRBQRV-MGPQQGTHSA-N 1 3 349.431 0.870 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC000976534668 744060336 /nfs/dbraw/zinc/06/03/36/744060336.db2.gz BBKKVMHZAAJTRN-RBZJEDDUSA-N 1 3 336.480 0.097 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000976534668 744060339 /nfs/dbraw/zinc/06/03/39/744060339.db2.gz BBKKVMHZAAJTRN-RBZJEDDUSA-N 1 3 336.480 0.097 20 0 ECADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC(NCc2cnnn2C)C1 ZINC000998780376 744333439 /nfs/dbraw/zinc/33/34/39/744333439.db2.gz NWIQMXNMGPEULK-XUJLQICISA-N 1 3 332.452 0.236 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1)N(C)C ZINC000998934687 744413796 /nfs/dbraw/zinc/41/37/96/744413796.db2.gz RMNQDRVRVCEWDJ-INIZCTEOSA-N 1 3 338.496 0.774 20 0 ECADHO Cc1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n[nH]1 ZINC000999173638 744548805 /nfs/dbraw/zinc/54/88/05/744548805.db2.gz KYCRVXRDDINQPQ-HUUCEWRRSA-N 1 3 332.452 0.536 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3n[nH]c(C)n3)C2)CC[N@@H+]1C ZINC000999206131 744565970 /nfs/dbraw/zinc/56/59/70/744565970.db2.gz IANFNFNECUBAAU-QLFBSQMISA-N 1 3 334.468 0.924 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3n[nH]c(C)n3)C2)CC[N@H+]1C ZINC000999206131 744565973 /nfs/dbraw/zinc/56/59/73/744565973.db2.gz IANFNFNECUBAAU-QLFBSQMISA-N 1 3 334.468 0.924 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC000999346920 744641559 /nfs/dbraw/zinc/64/15/59/744641559.db2.gz HKFNMGUWGMQBEX-MRXNPFEDSA-N 1 3 348.495 0.960 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC000999405258 744680054 /nfs/dbraw/zinc/68/00/54/744680054.db2.gz DSKFXWHSBSTWMX-FHERZECASA-N 1 3 336.480 0.672 20 0 ECADHO COc1ccc(CNC2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC000999409507 744681982 /nfs/dbraw/zinc/68/19/82/744681982.db2.gz QITZHYWXJHCVIJ-JEYLPNPQSA-N 1 3 347.463 0.906 20 0 ECADHO COc1ccc(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC000999409507 744681984 /nfs/dbraw/zinc/68/19/84/744681984.db2.gz QITZHYWXJHCVIJ-JEYLPNPQSA-N 1 3 347.463 0.906 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999847281 744939849 /nfs/dbraw/zinc/93/98/49/744939849.db2.gz JKSYQZMICGGFNG-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020676198 751959639 /nfs/dbraw/zinc/95/96/39/751959639.db2.gz VZZVAPFQJFKTJE-JYJNAYRXSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC000999869070 744969255 /nfs/dbraw/zinc/96/92/55/744969255.db2.gz DCYAOWQFPADKFU-LRVUVFPRSA-N 1 3 332.448 0.815 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000983704736 745085313 /nfs/dbraw/zinc/08/53/13/745085313.db2.gz MNAFUPWDFIPYBJ-RRCSTGOVSA-N 1 3 347.463 0.810 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000983704736 745085320 /nfs/dbraw/zinc/08/53/20/745085320.db2.gz MNAFUPWDFIPYBJ-RRCSTGOVSA-N 1 3 347.463 0.810 20 0 ECADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000983714909 745089864 /nfs/dbraw/zinc/08/98/64/745089864.db2.gz CJMRJDDICQUTFD-KCYZZUKISA-N 1 3 348.447 0.831 20 0 ECADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000983714909 745089874 /nfs/dbraw/zinc/08/98/74/745089874.db2.gz CJMRJDDICQUTFD-KCYZZUKISA-N 1 3 348.447 0.831 20 0 ECADHO Cn1cncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000983716512 745093409 /nfs/dbraw/zinc/09/34/09/745093409.db2.gz PNOXPROZUNAKQR-ANQUJSFKSA-N 1 3 347.463 0.268 20 0 ECADHO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccnc2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC000983717137 745094575 /nfs/dbraw/zinc/09/45/75/745094575.db2.gz XGEHUTIXVAGMNC-XLAORIBOSA-N 1 3 344.459 0.929 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029107585 745099499 /nfs/dbraw/zinc/09/94/99/745099499.db2.gz POZOSQYNFTVSLH-DYVFJYSZSA-N 1 3 348.495 0.872 20 0 ECADHO C[C@H]([NH2+][C@H]1CCNC1=O)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108880 745102452 /nfs/dbraw/zinc/10/24/52/745102452.db2.gz UJEFRMLROPBSQA-BBRMVZONSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105360623 751976396 /nfs/dbraw/zinc/97/63/96/751976396.db2.gz CUOMOKDOATYSBN-CQSZACIVSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105360623 751976397 /nfs/dbraw/zinc/97/63/97/751976397.db2.gz CUOMOKDOATYSBN-CQSZACIVSA-N 1 3 334.468 0.749 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029147575 745167120 /nfs/dbraw/zinc/16/71/20/745167120.db2.gz XBBKISHPYKPCCE-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001029147672 745168075 /nfs/dbraw/zinc/16/80/75/745168075.db2.gz ZGJRQYDATSFOJO-BBRMVZONSA-N 1 3 336.484 0.872 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001029170468 745200148 /nfs/dbraw/zinc/20/01/48/745200148.db2.gz PZHJKDOULADHQZ-ZFWWWQNUSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001029170468 745200150 /nfs/dbraw/zinc/20/01/50/745200150.db2.gz PZHJKDOULADHQZ-ZFWWWQNUSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)c2occc2CN(C)C)C1 ZINC001027546433 745303669 /nfs/dbraw/zinc/30/36/69/745303669.db2.gz NTOXVIMXYYWRIG-JSGCOSHPSA-N 1 3 336.436 0.751 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)c2occc2CN(C)C)C1 ZINC001027546433 745303676 /nfs/dbraw/zinc/30/36/76/745303676.db2.gz NTOXVIMXYYWRIG-JSGCOSHPSA-N 1 3 336.436 0.751 20 0 ECADHO CCn1nncc1CN[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001000189189 745325253 /nfs/dbraw/zinc/32/52/53/745325253.db2.gz DBEGYUUXLGHRTL-CABCVRRESA-N 1 3 334.468 0.863 20 0 ECADHO CCn1nncc1CN[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001000189189 745325255 /nfs/dbraw/zinc/32/52/55/745325255.db2.gz DBEGYUUXLGHRTL-CABCVRRESA-N 1 3 334.468 0.863 20 0 ECADHO CN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001000198999 745336514 /nfs/dbraw/zinc/33/65/14/745336514.db2.gz MQPXMLJCIDZZCB-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CCC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001027547389 745350773 /nfs/dbraw/zinc/35/07/73/745350773.db2.gz XWHGHSJVPUYAFH-GJZGRUSLSA-N 1 3 348.447 0.766 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CCC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001027547389 745350778 /nfs/dbraw/zinc/35/07/78/745350778.db2.gz XWHGHSJVPUYAFH-GJZGRUSLSA-N 1 3 348.447 0.766 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112536118 745351062 /nfs/dbraw/zinc/35/10/62/745351062.db2.gz QRKRNRVKWHMLCH-YOEHRIQHSA-N 1 3 343.435 0.462 20 0 ECADHO O=C(NC[C@H]1CCCN1C[C@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001028268448 752013677 /nfs/dbraw/zinc/01/36/77/752013677.db2.gz STIFSNVAOIFYQP-HUUCEWRRSA-N 1 3 344.463 0.442 20 0 ECADHO Cc1nn(C)cc1CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000707919 745713391 /nfs/dbraw/zinc/71/33/91/745713391.db2.gz CJQDNFJGDVHLMZ-MRXNPFEDSA-N 1 3 331.464 0.905 20 0 ECADHO Cc1nc([C@@H](C)N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC001000713768 745716357 /nfs/dbraw/zinc/71/63/57/745716357.db2.gz WWZOSIOEMWQTAC-TZMCWYRMSA-N 1 3 332.452 0.851 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC000978069701 745875658 /nfs/dbraw/zinc/87/56/58/745875658.db2.gz PBZYWWMDRCQRFJ-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001001007394 745972345 /nfs/dbraw/zinc/97/23/45/745972345.db2.gz JFRUIBNSIGTOMI-JKSUJKDBSA-N 1 3 334.468 0.733 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1CCn1cncn1 ZINC001087574587 746081689 /nfs/dbraw/zinc/08/16/89/746081689.db2.gz OGFMORFBUKSLIV-IXDOHACOSA-N 1 3 346.479 0.589 20 0 ECADHO CNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978316626 746196710 /nfs/dbraw/zinc/19/67/10/746196710.db2.gz BPFWLDXZKBBLBI-FPCVCCKLSA-N 1 3 348.491 0.291 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1CCn1cncn1 ZINC001087701917 746209316 /nfs/dbraw/zinc/20/93/16/746209316.db2.gz UUYYKWAGZIHTKZ-LUKYLMHMSA-N 1 3 348.495 0.978 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1CCn1cncn1 ZINC001087701917 746209318 /nfs/dbraw/zinc/20/93/18/746209318.db2.gz UUYYKWAGZIHTKZ-LUKYLMHMSA-N 1 3 348.495 0.978 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001794599 746729213 /nfs/dbraw/zinc/72/92/13/746729213.db2.gz IZLYJCCXGOQQEU-AWEZNQCLSA-N 1 3 338.496 0.633 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)n1 ZINC000984801074 746956739 /nfs/dbraw/zinc/95/67/39/746956739.db2.gz XVGHEKDQTRHUCR-IIAWOOMASA-N 1 3 347.463 0.954 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCc4ncnn43)C2)C1 ZINC000984806506 746961901 /nfs/dbraw/zinc/96/19/01/746961901.db2.gz YIBDNMPOIFFGEQ-VGWMRTNUSA-N 1 3 346.479 0.592 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC000984806542 746962420 /nfs/dbraw/zinc/96/24/20/746962420.db2.gz YSWANJNCSYBOBB-KLHDSHLOSA-N 1 3 336.480 0.433 20 0 ECADHO CCN1CC[C@@H](N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002122259 747003397 /nfs/dbraw/zinc/00/33/97/747003397.db2.gz BFAHJJLUFFOXNC-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CC[C@@H](N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002122259 747003401 /nfs/dbraw/zinc/00/34/01/747003401.db2.gz BFAHJJLUFFOXNC-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 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ZINC000980700941 749984760 /nfs/dbraw/zinc/98/47/60/749984760.db2.gz VWHGDZQCQGLLNS-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1C[C@@H](CNCc2cn(C)nn2)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000980700941 749984762 /nfs/dbraw/zinc/98/47/62/749984762.db2.gz VWHGDZQCQGLLNS-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC001029947269 750028435 /nfs/dbraw/zinc/02/84/35/750028435.db2.gz MMMGDYWIZSKHSK-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC001029947269 750028443 /nfs/dbraw/zinc/02/84/43/750028443.db2.gz MMMGDYWIZSKHSK-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C[C@H](CNCc2nccn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766628 750119440 /nfs/dbraw/zinc/11/94/40/750119440.db2.gz FDCVEZFVKOUVCI-HUUCEWRRSA-N 1 3 331.464 0.843 20 0 ECADHO CC(C)OCC[NH+]1CCC(NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000262944005 750156991 /nfs/dbraw/zinc/15/69/91/750156991.db2.gz AJPOCXQHWFYMIM-INIZCTEOSA-N 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750957826 /nfs/dbraw/zinc/95/78/26/750957826.db2.gz XOKNZJIMJCOAFW-CQSZACIVSA-N 1 3 325.478 0.862 20 0 ECADHO CN(C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000987835877 751254846 /nfs/dbraw/zinc/25/48/46/751254846.db2.gz LIPNLBBRBCACSY-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO CO[C@H](C)CN1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360618 752327712 /nfs/dbraw/zinc/32/77/12/752327712.db2.gz SHZKHDJLIYAVHQ-HUUCEWRRSA-N 1 3 337.468 0.674 20 0 ECADHO CCn1nncc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001021096015 752535838 /nfs/dbraw/zinc/53/58/38/752535838.db2.gz FZNRUYUCNNFSPH-DZKIICNBSA-N 1 3 334.468 0.909 20 0 ECADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O)N1CCCC1 ZINC001021343713 752789157 /nfs/dbraw/zinc/78/91/57/752789157.db2.gz RVLFNAZVZKBGHH-WTXIUTQJSA-N 1 3 348.491 0.861 20 0 ECADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O)N1CCCC1 ZINC001021343713 752789160 /nfs/dbraw/zinc/78/91/60/752789160.db2.gz RVLFNAZVZKBGHH-WTXIUTQJSA-N 1 3 348.491 0.861 20 0 ECADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CCn3cncn3)C[C@]2(C)C1)N(C)C ZINC000982561571 752908033 /nfs/dbraw/zinc/90/80/33/752908033.db2.gz VIPFQHRDMIGYQH-RYQLBKOJSA-N 1 3 348.495 0.789 20 0 ECADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CCn3cncn3)C[C@]2(C)C1)N(C)C ZINC000982561571 752908037 /nfs/dbraw/zinc/90/80/37/752908037.db2.gz VIPFQHRDMIGYQH-RYQLBKOJSA-N 1 3 348.495 0.789 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)CN(C)C1CCC1 ZINC000988964651 753087026 /nfs/dbraw/zinc/08/70/26/753087026.db2.gz DETGBBNKKFFVFZ-KBPBESRZSA-N 1 3 337.468 0.075 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000982779643 753544764 /nfs/dbraw/zinc/54/47/64/753544764.db2.gz UJTYHDYRRCZQLS-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001008395880 753695023 /nfs/dbraw/zinc/69/50/23/753695023.db2.gz QZQFCMKCXFAFQH-ZFWWWQNUSA-N 1 3 347.463 0.566 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001008395880 753695026 /nfs/dbraw/zinc/69/50/26/753695026.db2.gz QZQFCMKCXFAFQH-ZFWWWQNUSA-N 1 3 347.463 0.566 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001008407076 753710997 /nfs/dbraw/zinc/71/09/97/753710997.db2.gz PXWBHHLTDQIKRR-CVEARBPZSA-N 1 3 346.479 0.688 20 0 ECADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051508741 762243303 /nfs/dbraw/zinc/24/33/03/762243303.db2.gz FZNZJOGFCVTKFU-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)Cc1c[nH]cn1 ZINC001014100673 762247984 /nfs/dbraw/zinc/24/79/84/762247984.db2.gz OOMGOLBMOJYSLA-GXTWGEPZSA-N 1 3 331.420 0.154 20 0 ECADHO C[C@H]1C[C@@H](NCc2ccnn2C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989619192 754196624 /nfs/dbraw/zinc/19/66/24/754196624.db2.gz SVPVIHHDWRKHHQ-LSDHHAIUSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H]1C[C@H](NCC(=O)N2CCCCC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989682222 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345.491 0.837 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)C1 ZINC001076242499 756270893 /nfs/dbraw/zinc/27/08/93/756270893.db2.gz HHYQNJSFSHKNDP-YESZJQIVSA-N 1 3 331.464 0.758 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)C1 ZINC001076242499 756270897 /nfs/dbraw/zinc/27/08/97/756270897.db2.gz HHYQNJSFSHKNDP-YESZJQIVSA-N 1 3 331.464 0.758 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076243634 756273851 /nfs/dbraw/zinc/27/38/51/756273851.db2.gz AVIPXKNLDFKEDX-JJRVBVJISA-N 1 3 327.444 0.724 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076243634 756273856 /nfs/dbraw/zinc/27/38/56/756273856.db2.gz AVIPXKNLDFKEDX-JJRVBVJISA-N 1 3 327.444 0.724 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076418690 756489627 /nfs/dbraw/zinc/48/96/27/756489627.db2.gz KHGPGGXNNMFXGL-GVDBMIGSSA-N 1 3 348.491 0.528 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC001076461904 756550191 /nfs/dbraw/zinc/55/01/91/756550191.db2.gz ANXVYZALTWFQEC-IXDOHACOSA-N 1 3 348.491 0.483 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC001076461904 756550197 /nfs/dbraw/zinc/55/01/97/756550197.db2.gz ANXVYZALTWFQEC-IXDOHACOSA-N 1 3 348.491 0.483 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001076628462 756749864 /nfs/dbraw/zinc/74/98/64/756749864.db2.gz OHPIWQSGXZXJMB-XJKSGUPXSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3cncn3C)C2)CC[N@@H+]1C ZINC001051623356 762498827 /nfs/dbraw/zinc/49/88/27/762498827.db2.gz GDRJVXBIUMOYMP-VNQPRFMTSA-N 1 3 335.452 0.077 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3cncn3C)C2)CC[N@H+]1C ZINC001051623356 762498833 /nfs/dbraw/zinc/49/88/33/762498833.db2.gz GDRJVXBIUMOYMP-VNQPRFMTSA-N 1 3 335.452 0.077 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001011178224 757130955 /nfs/dbraw/zinc/13/09/55/757130955.db2.gz QRVKKSKWTZAWRW-RDJZCZTQSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001011178223 757131347 /nfs/dbraw/zinc/13/13/47/757131347.db2.gz QRVKKSKWTZAWRW-NVXWUHKLSA-N 1 3 348.491 0.341 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@@H]3C2)CCC1 ZINC001048860333 757206026 /nfs/dbraw/zinc/20/60/26/757206026.db2.gz PZGDQPQJIAVXLO-IYBDPMFKSA-N 1 3 345.491 0.837 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCc4ccnn4C)C[C@@H]3C2)CCC1 ZINC001048860333 757206032 /nfs/dbraw/zinc/20/60/32/757206032.db2.gz PZGDQPQJIAVXLO-IYBDPMFKSA-N 1 3 345.491 0.837 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1)C1CC1 ZINC001048863574 757218718 /nfs/dbraw/zinc/21/87/18/757218718.db2.gz HNGSSWMUDBOPLX-JZXOWHBKSA-N 1 3 348.491 0.339 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1)N(C)C ZINC001048888754 757304280 /nfs/dbraw/zinc/30/42/80/757304280.db2.gz WZGWWRFHFDINTA-QKPAOTATSA-N 1 3 346.479 0.496 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1)N(C)C ZINC001048888754 757304293 /nfs/dbraw/zinc/30/42/93/757304293.db2.gz WZGWWRFHFDINTA-QKPAOTATSA-N 1 3 346.479 0.496 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996302836 757314570 /nfs/dbraw/zinc/31/45/70/757314570.db2.gz ZVLGYSFCAUUTTM-PXAZEXFGSA-N 1 3 342.459 0.511 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996302836 757314577 /nfs/dbraw/zinc/31/45/77/757314577.db2.gz ZVLGYSFCAUUTTM-PXAZEXFGSA-N 1 3 342.459 0.511 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2cncn2C)C1 ZINC001051647189 762574056 /nfs/dbraw/zinc/57/40/56/762574056.db2.gz LPHOSPZRWZHKLP-IRXDYDNUSA-N 1 3 349.479 0.612 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2cncn2C)C1 ZINC001051647189 762574062 /nfs/dbraw/zinc/57/40/62/762574062.db2.gz LPHOSPZRWZHKLP-IRXDYDNUSA-N 1 3 349.479 0.612 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049059250 757823029 /nfs/dbraw/zinc/82/30/29/757823029.db2.gz OOMCQINFVGOFFW-NXOAAHMSSA-N 1 3 348.491 0.339 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049059250 757823042 /nfs/dbraw/zinc/82/30/42/757823042.db2.gz OOMCQINFVGOFFW-NXOAAHMSSA-N 1 3 348.491 0.339 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2C1)N(C)C ZINC001049067160 757862446 /nfs/dbraw/zinc/86/24/46/757862446.db2.gz QUKWDKMNUDGBEQ-XUWVNRHRSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2C1)N(C)C ZINC001049067160 757862455 /nfs/dbraw/zinc/86/24/55/757862455.db2.gz QUKWDKMNUDGBEQ-XUWVNRHRSA-N 1 3 336.480 0.338 20 0 ECADHO CN1CC[C@@H](N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1=O ZINC000996521436 757932244 /nfs/dbraw/zinc/93/22/44/757932244.db2.gz SDDAIAHKWIPOQV-ZIAGYGMSSA-N 1 3 334.464 0.140 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001049100515 757958126 /nfs/dbraw/zinc/95/81/26/757958126.db2.gz KVNOMIIOFJPQRW-OWCLPIDISA-N 1 3 336.480 0.372 20 0 ECADHO CN(C)[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1)C1CC1 ZINC001051653933 762598820 /nfs/dbraw/zinc/59/88/20/762598820.db2.gz CDTQYAWOXOPYBV-IRXDYDNUSA-N 1 3 332.448 0.739 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011643689 758195834 /nfs/dbraw/zinc/19/58/34/758195834.db2.gz OSMJCQOUOHCFCP-HOCLYGCPSA-N 1 3 347.463 0.743 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011647710 758206589 /nfs/dbraw/zinc/20/65/89/758206589.db2.gz JPHAENOMHQZVIK-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001011647710 758206599 /nfs/dbraw/zinc/20/65/99/758206599.db2.gz JPHAENOMHQZVIK-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001011657966 758225278 /nfs/dbraw/zinc/22/52/78/758225278.db2.gz MQZJLUPODFJONU-OAHLLOKOSA-N 1 3 334.464 0.095 20 0 ECADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)N1CCCCC1 ZINC001022081842 758250534 /nfs/dbraw/zinc/25/05/34/758250534.db2.gz PKOXSLIWWXBWSR-GASCZTMLSA-N 1 3 334.468 0.779 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001022097381 758272567 /nfs/dbraw/zinc/27/25/67/758272567.db2.gz VWWVXNNNDZZZRZ-GASCZTMLSA-N 1 3 346.435 0.792 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022120140 758303335 /nfs/dbraw/zinc/30/33/35/758303335.db2.gz LDFPNVPAQJYADA-XUWVNRHRSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022120140 758303344 /nfs/dbraw/zinc/30/33/44/758303344.db2.gz LDFPNVPAQJYADA-XUWVNRHRSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)n1 ZINC000996663443 758380972 /nfs/dbraw/zinc/38/09/72/758380972.db2.gz FZENTLYLZLRVPO-UHFFFAOYSA-N 1 3 348.495 0.960 20 0 ECADHO CN(C)C1(C(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)CCC1 ZINC000996666434 758393971 /nfs/dbraw/zinc/39/39/71/758393971.db2.gz QJZRCQNEIDGGED-UHFFFAOYSA-N 1 3 337.468 0.077 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN1CCCC1 ZINC001011769974 758531792 /nfs/dbraw/zinc/53/17/92/758531792.db2.gz AZZXMBBZHIMUMI-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO CCn1ncnc1CN[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022370675 758637037 /nfs/dbraw/zinc/63/70/37/758637037.db2.gz RYHMDKMNZVYRJW-OKILXGFUSA-N 1 3 339.403 0.996 20 0 ECADHO Cn1ncc(CN[C@H]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC001022370790 758637140 /nfs/dbraw/zinc/63/71/40/758637140.db2.gz VZORGOHJVCTVBO-BETUJISGSA-N 1 3 325.376 0.513 20 0 ECADHO CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001022712975 759026973 /nfs/dbraw/zinc/02/69/73/759026973.db2.gz FICRVZCORAPOKQ-WCVJEAGWSA-N 1 3 336.480 0.574 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001107037212 759491398 /nfs/dbraw/zinc/49/13/98/759491398.db2.gz XDADJXGBJNDARH-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](NCc1nncn1C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047887688 759655319 /nfs/dbraw/zinc/65/53/19/759655319.db2.gz BHQLYXUTUPMBKJ-CABCVRRESA-N 1 3 346.479 0.770 20 0 ECADHO C[C@H](NCc1nncn1C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047958923 759748651 /nfs/dbraw/zinc/74/86/51/759748651.db2.gz IVOWAYWPBGWFQI-ZFWWWQNUSA-N 1 3 334.468 0.484 20 0 ECADHO Cc1nnc(CN[C@H](C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001047960375 759749872 /nfs/dbraw/zinc/74/98/72/759749872.db2.gz SKFXEYFWCKRLGD-IUODEOHRSA-N 1 3 334.468 0.782 20 0 ECADHO C[C@H](NCc1ncnn1C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047974980 759760394 /nfs/dbraw/zinc/76/03/94/759760394.db2.gz HCSOYSSGMWVZGQ-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1ncnn1C)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047974980 759760398 /nfs/dbraw/zinc/76/03/98/759760398.db2.gz 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CN(C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CCNC1=O ZINC001017163383 767669654 /nfs/dbraw/zinc/66/96/54/767669654.db2.gz ZCYXBEKHVVZTCX-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1NCC(N)=O ZINC001054929696 768436198 /nfs/dbraw/zinc/43/61/98/768436198.db2.gz HCJNIQRIVTUJTB-XJKSGUPXSA-N 1 3 332.448 0.326 20 0 ECADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106663233 768573443 /nfs/dbraw/zinc/57/34/43/768573443.db2.gz XMHYAKOUJYHSSX-OWCLPIDISA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCc3cnn(C)c3)[C@H](C)C2)C1 ZINC001106666539 768579653 /nfs/dbraw/zinc/57/96/53/768579653.db2.gz NULSUSSIODMDCO-LZLYRXPVSA-N 1 3 347.507 0.989 20 0 ECADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705178 768694028 /nfs/dbraw/zinc/69/40/28/768694028.db2.gz VDQVSZBWDSWJSS-RBSFLKMASA-N 1 3 349.479 0.892 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1)N(C)C ZINC001055384920 768843316 /nfs/dbraw/zinc/84/33/16/768843316.db2.gz DSRFQXMSCCVOHD-OWCLPIDISA-N 1 3 338.496 0.585 20 0 ECADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797323 769013380 /nfs/dbraw/zinc/01/33/80/769013380.db2.gz NTIUOLSJKKMRLT-BRWVUGGUSA-N 1 3 341.496 0.410 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000993805693 769649106 /nfs/dbraw/zinc/64/91/06/769649106.db2.gz IGIUAWHSNTYVJI-HNNXBMFYSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000993805693 769649114 /nfs/dbraw/zinc/64/91/14/769649114.db2.gz IGIUAWHSNTYVJI-HNNXBMFYSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000993828718 769696149 /nfs/dbraw/zinc/69/61/49/769696149.db2.gz IBWZTHOPUURYQL-KBPBESRZSA-N 1 3 336.480 0.671 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000993961976 769899688 /nfs/dbraw/zinc/89/96/88/769899688.db2.gz VNSPBJNTGUOZBV-SJORKVTESA-N 1 3 348.491 0.815 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000993961976 769899702 /nfs/dbraw/zinc/89/97/02/769899702.db2.gz VNSPBJNTGUOZBV-SJORKVTESA-N 1 3 348.491 0.815 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994027881 770042646 /nfs/dbraw/zinc/04/26/46/770042646.db2.gz ACVSAYANDUKBLT-MGPQQGTHSA-N 1 3 333.436 0.115 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994027881 770042660 /nfs/dbraw/zinc/04/26/60/770042660.db2.gz ACVSAYANDUKBLT-MGPQQGTHSA-N 1 3 333.436 0.115 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@@H]2CCN(C(C)C)C2=O)C1)[NH+](C)C ZINC001018999410 770528910 /nfs/dbraw/zinc/52/89/10/770528910.db2.gz QXEZNLIJTGPAFM-XHSDSOJGSA-N 1 3 338.496 0.772 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001019002410 770536215 /nfs/dbraw/zinc/53/62/15/770536215.db2.gz UYVOMSUXACMCQL-ZOBUZTSGSA-N 1 3 338.496 0.679 20 0 ECADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001019030894 770604408 /nfs/dbraw/zinc/60/44/08/770604408.db2.gz YTMJNJJIWKBLJL-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)C1)N(C)C ZINC001019034960 770613705 /nfs/dbraw/zinc/61/37/05/770613705.db2.gz UWNJLZHPAZZCQL-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001019038701 770629583 /nfs/dbraw/zinc/62/95/83/770629583.db2.gz YSCUJXRHKLYJOW-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001019038701 770629590 /nfs/dbraw/zinc/62/95/90/770629590.db2.gz YSCUJXRHKLYJOW-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO CC(C)(C(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1)[NH+]1CCCC1 ZINC001019230259 771033693 /nfs/dbraw/zinc/03/36/93/771033693.db2.gz YVQGRIKXQJSKBR-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)C1(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001078411526 782895907 /nfs/dbraw/zinc/89/59/07/782895907.db2.gz PFPVDQHIZYUKSH-MRXNPFEDSA-N 1 3 349.479 0.612 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)CC1 ZINC001019321891 771153274 /nfs/dbraw/zinc/15/32/74/771153274.db2.gz WZMASIGBXLZSHM-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001019383154 771231047 /nfs/dbraw/zinc/23/10/47/771231047.db2.gz XRPDRWVOXXGYGF-YOEHRIQHSA-N 1 3 344.459 0.818 20 0 ECADHO CC[C@@H](N[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1)C(N)=O ZINC001019383994 771232273 /nfs/dbraw/zinc/23/22/73/771232273.db2.gz RMYLYPJAEAJMPY-DLBZAZTESA-N 1 3 346.475 0.859 20 0 ECADHO Cc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)CN3CCOCC3)C2)cn1 ZINC001019780083 771790269 /nfs/dbraw/zinc/79/02/69/771790269.db2.gz IAQQSMMDXQPRMD-ZBFHGGJFSA-N 1 3 347.463 0.444 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001019812240 771826790 /nfs/dbraw/zinc/82/67/90/771826790.db2.gz DUXZAFWHGJASGT-RDJZCZTQSA-N 1 3 344.459 0.783 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178778 772249090 /nfs/dbraw/zinc/24/90/90/772249090.db2.gz DSXQUNIDLNTZPG-KCYZZUKISA-N 1 3 345.447 0.385 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178778 772249093 /nfs/dbraw/zinc/24/90/93/772249093.db2.gz DSXQUNIDLNTZPG-KCYZZUKISA-N 1 3 345.447 0.385 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179303 772251619 /nfs/dbraw/zinc/25/16/19/772251619.db2.gz WEXSSFOXPGEFBZ-RZLSGREXSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020179303 772251622 /nfs/dbraw/zinc/25/16/22/772251622.db2.gz WEXSSFOXPGEFBZ-RZLSGREXSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)n1 ZINC001044751481 774579466 /nfs/dbraw/zinc/57/94/66/774579466.db2.gz UEBFFIYPIMNULN-IUODEOHRSA-N 1 3 345.451 0.830 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)CN1CCCC1 ZINC001044857232 774680899 /nfs/dbraw/zinc/68/08/99/774680899.db2.gz GPPBVBVMDOOXMK-WBVHZDCISA-N 1 3 346.475 0.950 20 0 ECADHO C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)CN1CCCC1 ZINC001044857229 774681041 /nfs/dbraw/zinc/68/10/41/774681041.db2.gz GPPBVBVMDOOXMK-DOTOQJQBSA-N 1 3 346.475 0.950 20 0 ECADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001045039931 774883113 /nfs/dbraw/zinc/88/31/13/774883113.db2.gz QYBGJXPGYMGESM-RDJZCZTQSA-N 1 3 331.464 0.843 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001045205692 775145994 /nfs/dbraw/zinc/14/59/94/775145994.db2.gz SDQJNFIWWVFOBQ-HOTGVXAUSA-N 1 3 334.464 0.806 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001045251373 775234373 /nfs/dbraw/zinc/23/43/73/775234373.db2.gz PPNHMPHFNLHQBS-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)CC1 ZINC001045262162 775262058 /nfs/dbraw/zinc/26/20/58/775262058.db2.gz JZUCOMZOTRYVSN-HOTGVXAUSA-N 1 3 336.480 0.576 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCc2n[nH]c(C3CC3)n2)C1 ZINC001045308737 775375697 /nfs/dbraw/zinc/37/56/97/775375697.db2.gz IQBOSSGXHZTEMG-KGLIPLIRSA-N 1 3 332.452 0.714 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCc2n[nH]c(C3CC3)n2)C1 ZINC001045308737 775375707 /nfs/dbraw/zinc/37/57/07/775375707.db2.gz IQBOSSGXHZTEMG-KGLIPLIRSA-N 1 3 332.452 0.714 20 0 ECADHO CCN(C(=O)C1(N(C)C)CCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079943427 777120990 /nfs/dbraw/zinc/12/09/90/777120990.db2.gz CAFDOLDIBJMTFW-CQSZACIVSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C1(N(C)C)CCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079943427 777120996 /nfs/dbraw/zinc/12/09/96/777120996.db2.gz CAFDOLDIBJMTFW-CQSZACIVSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)[C@H](C(C)C)N(C)C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079952070 777140110 /nfs/dbraw/zinc/14/01/10/777140110.db2.gz RZXPCIHWAFUBDT-INIZCTEOSA-N 1 3 326.485 0.584 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001080191828 777529145 /nfs/dbraw/zinc/52/91/45/777529145.db2.gz CAGAXCPHGZFIIF-KRWDZBQOSA-N 1 3 340.512 0.974 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078507324 780041675 /nfs/dbraw/zinc/04/16/75/780041675.db2.gz AKOOUYKEEVNJTO-ZBFHGGJFSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078507324 780041680 /nfs/dbraw/zinc/04/16/80/780041680.db2.gz AKOOUYKEEVNJTO-ZBFHGGJFSA-N 1 3 335.452 0.079 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCc3cncs3)C2)C1 ZINC001078507706 780043961 /nfs/dbraw/zinc/04/39/61/780043961.db2.gz GBKCKZGWCMTFGZ-KGLIPLIRSA-N 1 3 338.477 0.802 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCc3cncs3)C2)C1 ZINC001078507706 780043972 /nfs/dbraw/zinc/04/39/72/780043972.db2.gz GBKCKZGWCMTFGZ-KGLIPLIRSA-N 1 3 338.477 0.802 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c1 ZINC001078820685 780536738 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O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419857796 209228281 /nfs/dbraw/zinc/22/82/81/209228281.db2.gz VHBGDUYUBLFKDN-MRXNPFEDSA-N 1 3 336.480 0.722 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419856526 209227395 /nfs/dbraw/zinc/22/73/95/209227395.db2.gz IYVOMCNFAQENTB-CQSZACIVSA-N 1 3 336.436 0.286 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419769231 209201308 /nfs/dbraw/zinc/20/13/08/209201308.db2.gz DLFPAWPQZOBREK-ZIAGYGMSSA-N 1 3 326.485 0.857 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000419726675 209189599 /nfs/dbraw/zinc/18/95/99/209189599.db2.gz VIINPCAGRAMESR-UHFFFAOYSA-N 1 3 344.459 0.765 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419705442 209180584 /nfs/dbraw/zinc/18/05/84/209180584.db2.gz ZOZQUQTUULWRTP-HZPDHXFCSA-N 1 3 338.496 0.871 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419699612 209177150 /nfs/dbraw/zinc/17/71/50/209177150.db2.gz WRCMSSKYQPYIKJ-GOEBONIOSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419697168 209176309 /nfs/dbraw/zinc/17/63/09/209176309.db2.gz QEZHKOIGAXCPPN-ZNMIVQPWSA-N 1 3 336.480 0.624 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419595092 209134085 /nfs/dbraw/zinc/13/40/85/209134085.db2.gz VTTPJBGLUCDBPR-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419587510 209133741 /nfs/dbraw/zinc/13/37/41/209133741.db2.gz PSANCWATNVOLJW-HNNXBMFYSA-N 1 3 330.498 0.174 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419577828 209130219 /nfs/dbraw/zinc/13/02/19/209130219.db2.gz FBUSIKIMHDKFRP-BBRMVZONSA-N 1 3 344.525 0.372 20 0 ECADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420032726 284621692 /nfs/dbraw/zinc/62/16/92/284621692.db2.gz UTPLGOMNBZYBGV-ZDUSSCGKSA-N 1 3 340.493 0.882 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420064898 209295761 /nfs/dbraw/zinc/29/57/61/209295761.db2.gz PCKGXUIXBPEVDO-JSGCOSHPSA-N 1 3 340.468 0.205 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000444186794 211058257 /nfs/dbraw/zinc/05/82/57/211058257.db2.gz RNRHSXALHHFOPG-MRXNPFEDSA-N 1 3 330.432 0.490 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000420150389 209322400 /nfs/dbraw/zinc/32/24/00/209322400.db2.gz XBIBJWBZXRINNB-CABCVRRESA-N 1 3 326.485 0.714 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000420150389 209322403 /nfs/dbraw/zinc/32/24/03/209322403.db2.gz XBIBJWBZXRINNB-CABCVRRESA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000411022555 208054022 /nfs/dbraw/zinc/05/40/22/208054022.db2.gz JNBRBBDUEKJCFC-CRAIPNDOSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000411022555 208054029 /nfs/dbraw/zinc/05/40/29/208054029.db2.gz JNBRBBDUEKJCFC-CRAIPNDOSA-N 1 3 336.480 0.482 20 0 ECADHO CCc1ccccc1[C@@H](N)CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000417834252 208757548 /nfs/dbraw/zinc/75/75/48/208757548.db2.gz MRBSZSKSJATTKD-JKSUJKDBSA-N 1 3 332.448 0.623 20 0 ECADHO CCCN(CCN1CCCCC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418305048 208794008 /nfs/dbraw/zinc/79/40/08/208794008.db2.gz ZPRDMXHCMHWREF-UHFFFAOYSA-N 1 3 325.501 0.799 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2C[NH2+]CCN2C)o1 ZINC000418765863 208845613 /nfs/dbraw/zinc/84/56/13/208845613.db2.gz PENAXRHJGARDJJ-OAHLLOKOSA-N 1 3 337.468 0.565 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(=O)N(C)C ZINC000173449448 285244354 /nfs/dbraw/zinc/24/43/54/285244354.db2.gz JDBJKHOHWLOJKR-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(=O)N(C)C ZINC000173449448 285244355 /nfs/dbraw/zinc/24/43/55/285244355.db2.gz JDBJKHOHWLOJKR-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419171235 209010112 /nfs/dbraw/zinc/01/01/12/209010112.db2.gz ONQYRSKDTWTWEN-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000419213248 209027506 /nfs/dbraw/zinc/02/75/06/209027506.db2.gz LFRKMAAHZFAJNN-MRXNPFEDSA-N 1 3 348.447 0.097 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCC2)c1 ZINC000419216023 209029592 /nfs/dbraw/zinc/02/95/92/209029592.db2.gz OVDSACWFTFRUNR-UHFFFAOYSA-N 1 3 348.447 0.241 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419183559 209015778 /nfs/dbraw/zinc/01/57/78/209015778.db2.gz DOUGQWAGILQLHT-INIZCTEOSA-N 1 3 344.459 0.635 20 0 ECADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419227536 209034384 /nfs/dbraw/zinc/03/43/84/209034384.db2.gz KSBKIDPTHJOSID-HOCLYGCPSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419234710 209036738 /nfs/dbraw/zinc/03/67/38/209036738.db2.gz XYCNGUBEMDOYAE-KBMXLJTQSA-N 1 3 336.480 0.481 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000417748307 285321200 /nfs/dbraw/zinc/32/12/00/285321200.db2.gz KEIYZVCSDRUWJM-ZACQAIPSSA-N 1 3 339.528 0.947 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000417748306 285321483 /nfs/dbraw/zinc/32/14/83/285321483.db2.gz KEIYZVCSDRUWJM-IXDOHACOSA-N 1 3 339.528 0.947 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCCC2)nn1 ZINC000108814550 296637293 /nfs/dbraw/zinc/63/72/93/296637293.db2.gz IMIRRWGOEVPZOA-UHFFFAOYSA-N 1 3 334.468 0.642 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000246383795 165132761 /nfs/dbraw/zinc/13/27/61/165132761.db2.gz KCQWFXQGPHSUEV-CVEARBPZSA-N 1 3 338.496 0.491 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000246383795 165132769 /nfs/dbraw/zinc/13/27/69/165132769.db2.gz KCQWFXQGPHSUEV-CVEARBPZSA-N 1 3 338.496 0.491 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000262311971 165327846 /nfs/dbraw/zinc/32/78/46/165327846.db2.gz APBYRNHPSRNVQH-HNNXBMFYSA-N 1 3 326.485 0.145 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262409664 165345962 /nfs/dbraw/zinc/34/59/62/165345962.db2.gz PATXCGFJFYEKAA-ZFWWWQNUSA-N 1 3 325.453 0.766 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@H]1N(C)C ZINC000331638754 296950738 /nfs/dbraw/zinc/95/07/38/296950738.db2.gz IJTDAFJTRWGMLJ-VNQPRFMTSA-N 1 3 336.480 0.243 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000174351834 263149844 /nfs/dbraw/zinc/14/98/44/263149844.db2.gz SWGWALMDTLGHOH-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000174351834 263149845 /nfs/dbraw/zinc/14/98/45/263149845.db2.gz SWGWALMDTLGHOH-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000283636469 264137122 /nfs/dbraw/zinc/13/71/22/264137122.db2.gz RYXNUCLVVSUOSC-UHFFFAOYSA-N 1 3 346.475 0.787 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000284357120 264203520 /nfs/dbraw/zinc/20/35/20/264203520.db2.gz SMWREPMAXYNTJX-UHFFFAOYSA-N 1 3 346.475 0.571 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000284357120 264203523 /nfs/dbraw/zinc/20/35/23/264203523.db2.gz SMWREPMAXYNTJX-UHFFFAOYSA-N 1 3 346.475 0.571 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415605830 273797317 /nfs/dbraw/zinc/79/73/17/273797317.db2.gz QYNCPYDNYHJURG-IBGZPJMESA-N 1 3 344.459 0.941 20 0 ECADHO C[NH2+]CCNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417026144 277271908 /nfs/dbraw/zinc/27/19/08/277271908.db2.gz SGGRPSITTVKVBW-KRWDZBQOSA-N 1 3 333.480 0.884 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419695314 277387713 /nfs/dbraw/zinc/38/77/13/277387713.db2.gz KWSYRQDXAXYMIM-XHSDSOJGSA-N 1 3 336.480 0.291 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340207848 437598078 /nfs/dbraw/zinc/59/80/78/437598078.db2.gz YIVGCNDVNKXRDY-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419701974 278226675 /nfs/dbraw/zinc/22/66/75/278226675.db2.gz ZREUKQWUSJAFLJ-LZWOXQAQSA-N 1 3 336.480 0.848 20 0 ECADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423839596 278240869 /nfs/dbraw/zinc/24/08/69/278240869.db2.gz JEQOZZNYKFXGGP-GOEBONIOSA-N 1 3 332.448 0.491 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419481347 278248460 /nfs/dbraw/zinc/24/84/60/278248460.db2.gz WZKZDXIHZKELOK-YQQAZPJKSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419481347 278248462 /nfs/dbraw/zinc/24/84/62/278248462.db2.gz WZKZDXIHZKELOK-YQQAZPJKSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000419016861 278304919 /nfs/dbraw/zinc/30/49/19/278304919.db2.gz ACVBVACMMVHUIU-QLFBSQMISA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418843630 278976055 /nfs/dbraw/zinc/97/60/55/278976055.db2.gz KIZZIPKGCXWWFQ-AWEZNQCLSA-N 1 3 326.485 0.855 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000416945287 279139317 /nfs/dbraw/zinc/13/93/17/279139317.db2.gz FEVUUZYFYKWCRN-CVEARBPZSA-N 1 3 327.517 0.931 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423150916 280276769 /nfs/dbraw/zinc/27/67/69/280276769.db2.gz JFGVEBVGPDOHFB-JKSUJKDBSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000340215677 437605048 /nfs/dbraw/zinc/60/50/48/437605048.db2.gz WYPQZZGXMZDLLY-BZUAXINKSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343640425 437609773 /nfs/dbraw/zinc/60/97/73/437609773.db2.gz MVJHHKMYIIPGRM-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000343640425 437609781 /nfs/dbraw/zinc/60/97/81/437609781.db2.gz MVJHHKMYIIPGRM-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)CCNC(=O)C12CCC(C(=O)NCC[NH+](C)C)(CC1)CC2 ZINC000193670204 289160572 /nfs/dbraw/zinc/16/05/72/289160572.db2.gz CNHPBHNDXTXUCP-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO COC[C@]1(CNC(=O)NCC2(SC)CCN(C)CC2)CCC[NH2+]1 ZINC000418195464 293290137 /nfs/dbraw/zinc/29/01/37/293290137.db2.gz GAZVYJUOMJBSJV-OAHLLOKOSA-N 1 3 344.525 0.882 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000332405081 297038166 /nfs/dbraw/zinc/03/81/66/297038166.db2.gz OPPQVYWHQOXRDY-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C1CCCC1 ZINC000420091578 295262119 /nfs/dbraw/zinc/26/21/19/295262119.db2.gz UXQGLNLVTHWCQZ-HOTGVXAUSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(C(=O)N1CCCC[C@@H](N2CCCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423228516 295414242 /nfs/dbraw/zinc/41/42/42/295414242.db2.gz ZXOGDHCDLFWYAD-OWCLPIDISA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H]1NCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]1C ZINC000333641215 297146055 /nfs/dbraw/zinc/14/60/55/297146055.db2.gz IHDMRPMYPNGJPL-SRVKXCTJSA-N 1 3 337.390 0.214 20 0 ECADHO O=S(=O)([C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000333654684 297146834 /nfs/dbraw/zinc/14/68/34/297146834.db2.gz KKJVHTNBCCFFRG-LSDHHAIUSA-N 1 3 331.482 0.112 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333886151 297154004 /nfs/dbraw/zinc/15/40/04/297154004.db2.gz XGPHGIHAKSDGSE-LSDHHAIUSA-N 1 3 325.501 0.700 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000338021752 297234070 /nfs/dbraw/zinc/23/40/70/297234070.db2.gz HMEIMWYELVNKQL-KRWDZBQOSA-N 1 3 340.512 0.487 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000338836714 297299900 /nfs/dbraw/zinc/29/99/00/297299900.db2.gz LXVBOCLWKJFYMR-HUUCEWRRSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000338836714 297299902 /nfs/dbraw/zinc/29/99/02/297299902.db2.gz LXVBOCLWKJFYMR-HUUCEWRRSA-N 1 3 339.484 0.323 20 0 ECADHO CCN1CC[NH+](CCCCNC(=O)NCCn2ccnc2C)CC1 ZINC000339716327 297371078 /nfs/dbraw/zinc/37/10/78/297371078.db2.gz OKNQHWOLYUFQFJ-UHFFFAOYSA-N 1 3 336.484 0.908 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000340501849 297500023 /nfs/dbraw/zinc/50/00/23/297500023.db2.gz AWCTUTAUIOETOZ-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC1 ZINC000341029025 297589442 /nfs/dbraw/zinc/58/94/42/297589442.db2.gz ULGABWIHIMNZBN-SFHVURJKSA-N 1 3 335.496 0.734 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000342905908 297791724 /nfs/dbraw/zinc/79/17/24/297791724.db2.gz UKMZLILHSVAOBS-OAHLLOKOSA-N 1 3 338.496 0.918 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCNC(=O)c2cnccn2)[C@H](C)C1 ZINC000346786669 298343105 /nfs/dbraw/zinc/34/31/05/298343105.db2.gz BWMGEYSNBNLIJS-HZPDHXFCSA-N 1 3 349.479 0.933 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCNC(=O)c2cnccn2)[C@H](C)C1 ZINC000346786669 298343109 /nfs/dbraw/zinc/34/31/09/298343109.db2.gz BWMGEYSNBNLIJS-HZPDHXFCSA-N 1 3 349.479 0.933 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000347040292 298392370 /nfs/dbraw/zinc/39/23/70/298392370.db2.gz BEQGNKRDUASWKR-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO CN1CCC(CNC(=O)CCOC2CNC2)([NH+]2CCCCC2)CC1 ZINC000348997424 298643045 /nfs/dbraw/zinc/64/30/45/298643045.db2.gz YUCGMKZNHNGGCM-UHFFFAOYSA-N 1 3 338.496 0.431 20 0 ECADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccn[nH]1 ZINC000360991385 300049671 /nfs/dbraw/zinc/04/96/71/300049671.db2.gz VGFPOUGLSITPHX-RBSFLKMASA-N 1 3 335.452 0.619 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccn[nH]1 ZINC000360991385 300049673 /nfs/dbraw/zinc/04/96/73/300049673.db2.gz VGFPOUGLSITPHX-RBSFLKMASA-N 1 3 335.452 0.619 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1=O ZINC000361461304 300097974 /nfs/dbraw/zinc/09/79/74/300097974.db2.gz IJMXLUSZVXAEFB-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1=O ZINC000361461304 300097976 /nfs/dbraw/zinc/09/79/76/300097976.db2.gz IJMXLUSZVXAEFB-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000361826469 300130443 /nfs/dbraw/zinc/13/04/43/300130443.db2.gz YAMYBOPWARTSCT-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000361826469 300130446 /nfs/dbraw/zinc/13/04/46/300130446.db2.gz YAMYBOPWARTSCT-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO COCC[NH+]1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000364218158 300337278 /nfs/dbraw/zinc/33/72/78/300337278.db2.gz WSYBTUDQWSMHMF-RVKKMQEKSA-N 1 3 339.480 0.746 20 0 ECADHO CN(C)Cc1ccc(N2CCN(C(=O)/C=C/C[NH+](C)C)CC2)nc1 ZINC000369566573 300750716 /nfs/dbraw/zinc/75/07/16/300750716.db2.gz DTWNFOLWEGGLDJ-AATRIKPKSA-N 1 3 331.464 0.910 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCn1cncn1 ZINC000074054106 436103534 /nfs/dbraw/zinc/10/35/34/436103534.db2.gz FURDJJOPQZPPFN-HNNXBMFYSA-N 1 3 337.472 0.336 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCn1cncn1 ZINC000074054106 436103539 /nfs/dbraw/zinc/10/35/39/436103539.db2.gz FURDJJOPQZPPFN-HNNXBMFYSA-N 1 3 337.472 0.336 20 0 ECADHO CC(C)[C@@H]1CN(C)CCN1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000074656216 436132488 /nfs/dbraw/zinc/13/24/88/436132488.db2.gz MLJSDACBEKWIDJ-SJORKVTESA-N 1 3 339.528 0.852 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074250619 436117984 /nfs/dbraw/zinc/11/79/84/436117984.db2.gz COWPTSKVMKIABS-MRXNPFEDSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000372572526 301009708 /nfs/dbraw/zinc/00/97/08/301009708.db2.gz PBWPPUVTROTCTK-VNHYZAJKSA-N 1 3 347.463 0.675 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000372572526 301009713 /nfs/dbraw/zinc/00/97/13/301009713.db2.gz PBWPPUVTROTCTK-VNHYZAJKSA-N 1 3 347.463 0.675 20 0 ECADHO C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000077797933 436253469 /nfs/dbraw/zinc/25/34/69/436253469.db2.gz VSDGOYSYYBJKBP-OAHLLOKOSA-N 1 3 326.485 0.863 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000519548003 301745509 /nfs/dbraw/zinc/74/55/09/301745509.db2.gz POWHBSHWYCWGMB-KRWDZBQOSA-N 1 3 344.459 0.672 20 0 ECADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000089596550 436414251 /nfs/dbraw/zinc/41/42/51/436414251.db2.gz OWCSUBDSSUTAPR-LVQVYYBASA-N 1 3 347.525 0.793 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2sccn2c1=O ZINC000103211256 436553927 /nfs/dbraw/zinc/55/39/27/436553927.db2.gz OFVINIJTYNSESS-UHFFFAOYSA-N 1 3 337.449 0.321 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(-n2cncn2)c1 ZINC000104533615 436559289 /nfs/dbraw/zinc/55/92/89/436559289.db2.gz RTXNUADWQYKCEY-UHFFFAOYSA-N 1 3 331.424 0.228 20 0 ECADHO CN1CCN(CC2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529352777 301942324 /nfs/dbraw/zinc/94/23/24/301942324.db2.gz MQKKWZXKSKKWDM-QGZVFWFLSA-N 1 3 349.523 0.940 20 0 ECADHO C[N@H+](CCNC(=O)NCC1CCN(CCO)CC1)C1CCCC1 ZINC000111858159 436632435 /nfs/dbraw/zinc/63/24/35/436632435.db2.gz ITJFUYQAOFKFRS-UHFFFAOYSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@@H+](CCNC(=O)NCC1CCN(CCO)CC1)C1CCCC1 ZINC000111858159 436632436 /nfs/dbraw/zinc/63/24/36/436632436.db2.gz ITJFUYQAOFKFRS-UHFFFAOYSA-N 1 3 326.485 0.864 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(CO)c(F)c1 ZINC000536064253 302133021 /nfs/dbraw/zinc/13/30/21/302133021.db2.gz BDGRUFIKZLHEOA-UHFFFAOYSA-N 1 3 340.443 0.953 20 0 ECADHO CC1CCN(CC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000137490494 436658044 /nfs/dbraw/zinc/65/80/44/436658044.db2.gz WLRVORWMZRWXSD-MRXNPFEDSA-N 1 3 336.480 0.659 20 0 ECADHO CC1CCN(CC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000137490494 436658047 /nfs/dbraw/zinc/65/80/47/436658047.db2.gz WLRVORWMZRWXSD-MRXNPFEDSA-N 1 3 336.480 0.659 20 0 ECADHO CN(CCC[NH+]1CCN(C)CC1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120230204 436681816 /nfs/dbraw/zinc/68/18/16/436681816.db2.gz AGVOGWSNABCFFA-INIZCTEOSA-N 1 3 348.495 0.485 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)COC[C@H]3CCCO3)CC2)CC1 ZINC000126651731 436789717 /nfs/dbraw/zinc/78/97/17/436789717.db2.gz YVCOEQCFPBNAPC-QGZVFWFLSA-N 1 3 339.480 0.857 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000130564784 436838262 /nfs/dbraw/zinc/83/82/62/436838262.db2.gz DWKFPFSGCGDQPJ-UHFFFAOYSA-N 1 3 342.390 0.855 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000136333347 436931838 /nfs/dbraw/zinc/93/18/38/436931838.db2.gz SPTHSANWEMUCTL-HNNXBMFYSA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc21 ZINC000166620921 436939138 /nfs/dbraw/zinc/93/91/38/436939138.db2.gz AGVLHKXIBQWZJV-MRXNPFEDSA-N 1 3 336.367 0.796 20 0 ECADHO NC(=O)[C@@H]1CCCN(Cc2cccc(CNC3=[NH+]CCCN3)c2)C1 ZINC000263110838 436952968 /nfs/dbraw/zinc/95/29/68/436952968.db2.gz AXBYHHQSEBWEIT-MRXNPFEDSA-N 1 3 329.448 0.823 20 0 ECADHO C[C@@H]1CC2(CN1CC(=O)NC(=O)NCC(F)(F)F)CC[NH2+]CC2 ZINC000331509476 437108608 /nfs/dbraw/zinc/10/86/08/437108608.db2.gz BTQVLFQBSCYREL-SNVBAGLBSA-N 1 3 336.358 0.839 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)CCN1C(=O)NC(C)(C)C1=O ZINC000177384464 437182091 /nfs/dbraw/zinc/18/20/91/437182091.db2.gz APLHCESGVYNIDN-UHFFFAOYSA-N 1 3 339.484 0.275 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000332344476 437214047 /nfs/dbraw/zinc/21/40/47/437214047.db2.gz STDMQYAFNBCQKL-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO COCCNCC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000178874634 437235369 /nfs/dbraw/zinc/23/53/69/437235369.db2.gz GQCHZGDXKFUFRR-SFHVURJKSA-N 1 3 348.491 0.717 20 0 ECADHO COCC[NH2+]CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000178874634 437235373 /nfs/dbraw/zinc/23/53/73/437235373.db2.gz GQCHZGDXKFUFRR-SFHVURJKSA-N 1 3 348.491 0.717 20 0 ECADHO C[C@@H]1C[C@@H](CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC000333127531 437260691 /nfs/dbraw/zinc/26/06/91/437260691.db2.gz JCSQIGBTOXKHAF-PMPSAXMXSA-N 1 3 345.509 0.501 20 0 ECADHO COC[C@@H](O)CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179450127 437264633 /nfs/dbraw/zinc/26/46/33/437264633.db2.gz IOOMKDSXNKUUEG-KRWDZBQOSA-N 1 3 341.496 0.698 20 0 ECADHO O[C@@H]1CC[C@@H]2CN(CC3(C[N@@H+]4C[C@@H]5CC[C@H](O)[C@@H]5C4)COC3)C[C@@H]12 ZINC000329281832 437345585 /nfs/dbraw/zinc/34/55/85/437345585.db2.gz AFTUTTFOICACKS-HVKXIDHRSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2CN(CC3(C[N@H+]4C[C@@H]5CC[C@H](O)[C@@H]5C4)COC3)C[C@@H]12 ZINC000329281832 437345587 /nfs/dbraw/zinc/34/55/87/437345587.db2.gz AFTUTTFOICACKS-HVKXIDHRSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2C[N@@H+](CC3(CN4C[C@@H]5CC[C@H](O)[C@@H]5C4)COC3)C[C@@H]12 ZINC000329281832 437345590 /nfs/dbraw/zinc/34/55/90/437345590.db2.gz AFTUTTFOICACKS-HVKXIDHRSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2C[N@H+](CC3(CN4C[C@@H]5CC[C@H](O)[C@@H]5C4)COC3)C[C@@H]12 ZINC000329281832 437345594 /nfs/dbraw/zinc/34/55/94/437345594.db2.gz AFTUTTFOICACKS-HVKXIDHRSA-N 1 3 336.476 0.408 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000339580507 437473623 /nfs/dbraw/zinc/47/36/23/437473623.db2.gz SNCMVFZFZVJYRZ-MRXNPFEDSA-N 1 3 338.496 0.635 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000339580507 437473625 /nfs/dbraw/zinc/47/36/25/437473625.db2.gz SNCMVFZFZVJYRZ-MRXNPFEDSA-N 1 3 338.496 0.635 20 0 ECADHO [NH3+][C@@H]1CC[C@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000269244877 437474040 /nfs/dbraw/zinc/47/40/40/437474040.db2.gz DAYPRQKJECHZGG-JKSUJKDBSA-N 1 3 331.464 0.837 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000339629933 437480602 /nfs/dbraw/zinc/48/06/02/437480602.db2.gz FINRCOTWIYQWSU-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NC2CCN(C)CC2)([NH+](C)C)C1 ZINC000339636760 437481817 /nfs/dbraw/zinc/48/18/17/437481817.db2.gz OHMKAEGTNIIWTQ-KDOFPFPSSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC1CCN(C2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000339953414 437528372 /nfs/dbraw/zinc/52/83/72/437528372.db2.gz QAIZVDXFQRAQBH-CYBMUJFWSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C1=CCN(C)CC1 ZINC000339951184 437528417 /nfs/dbraw/zinc/52/84/17/437528417.db2.gz WHPAPVTUXZFYJH-CYBMUJFWSA-N 1 3 334.464 0.496 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000343291745 437547333 /nfs/dbraw/zinc/54/73/33/437547333.db2.gz CJMKEIMQDUOGLK-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000343701383 437632531 /nfs/dbraw/zinc/63/25/31/437632531.db2.gz XDCDVWUCYYTABU-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340434077 437644662 /nfs/dbraw/zinc/64/46/62/437644662.db2.gz RHEJSQSVABNFFF-XJKSGUPXSA-N 1 3 344.525 0.386 20 0 ECADHO C[C@H]1CN(CCCS(=O)(=O)N(C)C)CCN1C1CC[NH+](C)CC1 ZINC000343751475 437646604 /nfs/dbraw/zinc/64/66/04/437646604.db2.gz PNKQRFGLQVCMRL-HNNXBMFYSA-N 1 3 346.541 0.368 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343781993 437655702 /nfs/dbraw/zinc/65/57/02/437655702.db2.gz NGQPJDJUSGEPSO-KEYYUXOJSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000343781993 437655703 /nfs/dbraw/zinc/65/57/03/437655703.db2.gz NGQPJDJUSGEPSO-KEYYUXOJSA-N 1 3 348.491 0.718 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343781718 437656294 /nfs/dbraw/zinc/65/62/94/437656294.db2.gz MRCIQBOZKLZEAH-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000343781718 437656297 /nfs/dbraw/zinc/65/62/97/437656297.db2.gz MRCIQBOZKLZEAH-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340476705 437657846 /nfs/dbraw/zinc/65/78/46/437657846.db2.gz AWTGTLVMBGYODP-BFYDXBDKSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340476705 437657851 /nfs/dbraw/zinc/65/78/51/437657851.db2.gz AWTGTLVMBGYODP-BFYDXBDKSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000343837222 437669816 /nfs/dbraw/zinc/66/98/16/437669816.db2.gz SAKSKEZMUMGZNB-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000340509128 437678491 /nfs/dbraw/zinc/67/84/91/437678491.db2.gz FIPMDKIFGVPOQJ-LSDHHAIUSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000340509128 437678497 /nfs/dbraw/zinc/67/84/97/437678497.db2.gz FIPMDKIFGVPOQJ-LSDHHAIUSA-N 1 3 348.491 0.720 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340510690 437679674 /nfs/dbraw/zinc/67/96/74/437679674.db2.gz PDETWUZQGLVFMI-OIISXLGYSA-N 1 3 348.491 0.672 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340510690 437679677 /nfs/dbraw/zinc/67/96/77/437679677.db2.gz PDETWUZQGLVFMI-OIISXLGYSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000355407960 437705228 /nfs/dbraw/zinc/70/52/28/437705228.db2.gz DJAGRMYTJZZCKX-XHSDSOJGSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000355407960 437705233 /nfs/dbraw/zinc/70/52/33/437705233.db2.gz DJAGRMYTJZZCKX-XHSDSOJGSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCOCCS(C)(=O)=O ZINC000362302915 437729277 /nfs/dbraw/zinc/72/92/77/437729277.db2.gz GNBIKKFRRLYMBP-BZUAXINKSA-N 1 3 348.509 0.527 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCOCCS(C)(=O)=O ZINC000362302915 437729281 /nfs/dbraw/zinc/72/92/81/437729281.db2.gz GNBIKKFRRLYMBP-BZUAXINKSA-N 1 3 348.509 0.527 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000423728028 437817342 /nfs/dbraw/zinc/81/73/42/437817342.db2.gz VRMGMHLHEBNMPI-BZUAXINKSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000423728028 437817346 /nfs/dbraw/zinc/81/73/46/437817346.db2.gz VRMGMHLHEBNMPI-BZUAXINKSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423775133 437829957 /nfs/dbraw/zinc/82/99/57/437829957.db2.gz LYMSLWJHUBODDX-GDBMZVCRSA-N 1 3 342.447 0.877 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000423771199 437828433 /nfs/dbraw/zinc/82/84/33/437828433.db2.gz IEOLJZUCECPXQR-HNNXBMFYSA-N 1 3 340.493 0.738 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1=O ZINC000363302221 437778112 /nfs/dbraw/zinc/77/81/12/437778112.db2.gz GOBKYSXVMXEPHM-LTIDMASMSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1=O ZINC000363302221 437778116 /nfs/dbraw/zinc/77/81/16/437778116.db2.gz GOBKYSXVMXEPHM-LTIDMASMSA-N 1 3 348.491 0.339 20 0 ECADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423620637 437783019 /nfs/dbraw/zinc/78/30/19/437783019.db2.gz JWUBPICSMSQWIE-MRXNPFEDSA-N 1 3 338.496 0.907 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000341048000 437785390 /nfs/dbraw/zinc/78/53/90/437785390.db2.gz GLUROSFWIJNFHW-HOTGVXAUSA-N 1 3 327.517 0.899 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)C2)C1 ZINC000423643624 437787816 /nfs/dbraw/zinc/78/78/16/437787816.db2.gz YRGUJLUZPFAPFB-IBGZPJMESA-N 1 3 348.491 0.533 20 0 ECADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423649915 437791433 /nfs/dbraw/zinc/79/14/33/437791433.db2.gz TXDOJVPVABAREB-UHFFFAOYSA-N 1 3 348.426 0.970 20 0 ECADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)ccc1OCCN(C)C ZINC000415377175 437793740 /nfs/dbraw/zinc/79/37/40/437793740.db2.gz LQSQBLAUHWVWLN-HNNXBMFYSA-N 1 3 348.447 0.742 20 0 ECADHO C[C@@H](CNC(=O)NCCN1CCSCC1)C[NH+]1CCN(C)CC1 ZINC000341125956 437797534 /nfs/dbraw/zinc/79/75/34/437797534.db2.gz MELHHQLKXOESAP-HNNXBMFYSA-N 1 3 343.541 0.218 20 0 ECADHO C[NH+](C)CC1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)CC1 ZINC000423676685 437801138 /nfs/dbraw/zinc/80/11/38/437801138.db2.gz GKKGKQGUGRXPLR-UHFFFAOYSA-N 1 3 346.475 0.774 20 0 ECADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC1 ZINC000423716731 437810458 /nfs/dbraw/zinc/81/04/58/437810458.db2.gz IXVPHBZZVFTPCO-AWEZNQCLSA-N 1 3 326.485 0.763 20 0 ECADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC1 ZINC000423716731 437810459 /nfs/dbraw/zinc/81/04/59/437810459.db2.gz IXVPHBZZVFTPCO-AWEZNQCLSA-N 1 3 326.485 0.763 20 0 ECADHO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423711970 437810684 /nfs/dbraw/zinc/81/06/84/437810684.db2.gz NJRZKHCZIKRADO-IRXDYDNUSA-N 1 3 344.459 0.588 20 0 ECADHO O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@H]1C[C@@H](O)CN1 ZINC000365153395 437868314 /nfs/dbraw/zinc/86/83/14/437868314.db2.gz FOICUPRDBKGHRV-UKRRQHHQSA-N 1 3 333.388 0.257 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415866713 437873417 /nfs/dbraw/zinc/87/34/17/437873417.db2.gz VTZVOFNYEWECPN-OAHLLOKOSA-N 1 3 348.447 0.571 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415866711 437874565 /nfs/dbraw/zinc/87/45/65/437874565.db2.gz VTZVOFNYEWECPN-HNNXBMFYSA-N 1 3 348.447 0.571 20 0 ECADHO [NH3+]C1(CNC(=O)[C@H]2CSCN2)CCN(Cc2ccccc2)CC1 ZINC000424022333 437879185 /nfs/dbraw/zinc/87/91/85/437879185.db2.gz STWSDKXPYXWWIH-OAHLLOKOSA-N 1 3 334.489 0.759 20 0 ECADHO COCC[C@@]1(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC[NH2+]C1 ZINC000370775067 437835649 /nfs/dbraw/zinc/83/56/49/437835649.db2.gz UTJUMYZAUTYPAZ-RDJZCZTQSA-N 1 3 326.485 0.002 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000423896191 437851621 /nfs/dbraw/zinc/85/16/21/437851621.db2.gz GLSSIZFMUXBKEE-KMFMINBZSA-N 1 3 336.480 0.561 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000423896191 437851626 /nfs/dbraw/zinc/85/16/26/437851626.db2.gz GLSSIZFMUXBKEE-KMFMINBZSA-N 1 3 336.480 0.561 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)ccc1OCCN(C)C ZINC000415751983 437854914 /nfs/dbraw/zinc/85/49/14/437854914.db2.gz WTRCHJAZWBDNPL-ZFWWWQNUSA-N 1 3 348.447 0.822 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCCC2)CC1=O ZINC000416336170 437919663 /nfs/dbraw/zinc/91/96/63/437919663.db2.gz YDXONLIDXCAJPP-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415958235 437883552 /nfs/dbraw/zinc/88/35/52/437883552.db2.gz WKOUUXWVQPNYOS-UHFFFAOYSA-N 1 3 347.467 0.836 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415967980 437883862 /nfs/dbraw/zinc/88/38/62/437883862.db2.gz BUGHWJLTNZPOMV-MRXNPFEDSA-N 1 3 345.447 0.916 20 0 ECADHO COCCN1CCC(NC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000424140023 437893179 /nfs/dbraw/zinc/89/31/79/437893179.db2.gz AVETZSVWKRLJTA-ZDUSSCGKSA-N 1 3 335.452 0.717 20 0 ECADHO C[C@@H](C(=O)NCC1(N(C)C)CC1)[C@@H](C)C(=O)NCC1([NH+](C)C)CC1 ZINC000416305122 437911810 /nfs/dbraw/zinc/91/18/10/437911810.db2.gz ALNLPQYCXKQTAA-ZIAGYGMSSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])N1CCN(C)CC1 ZINC000424450760 437940159 /nfs/dbraw/zinc/94/01/59/437940159.db2.gz BAHRBNZTBVDIBC-BZUAXINKSA-N 1 3 325.501 0.828 20 0 ECADHO C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000365617751 437941593 /nfs/dbraw/zinc/94/15/93/437941593.db2.gz NTLMZLWAEZUIHB-MRXNPFEDSA-N 1 3 347.463 0.028 20 0 ECADHO CN1CCC(CNC(=O)C[C@H]2COCCN2)([NH+]2CCCCC2)CC1 ZINC000357246078 437945772 /nfs/dbraw/zinc/94/57/72/437945772.db2.gz WZNHISXLRXFNQA-INIZCTEOSA-N 1 3 338.496 0.431 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1)N(C)C1CC1 ZINC000342073798 437959099 /nfs/dbraw/zinc/95/90/99/437959099.db2.gz KHQYYVWTXAXRPT-AWEZNQCLSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)N(C)C1CC1 ZINC000342072718 437959836 /nfs/dbraw/zinc/95/98/36/437959836.db2.gz IPZVGPQAHRUILS-CQSZACIVSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342091094 437963342 /nfs/dbraw/zinc/96/33/42/437963342.db2.gz ULUXKOIUYPGZLO-BMFZPTHFSA-N 1 3 336.480 0.671 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000342091094 437963346 /nfs/dbraw/zinc/96/33/46/437963346.db2.gz ULUXKOIUYPGZLO-BMFZPTHFSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424550998 437972511 /nfs/dbraw/zinc/97/25/11/437972511.db2.gz UQSRLZQNJCNNNX-BHYGNILZSA-N 1 3 344.459 0.573 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000347984042 437988914 /nfs/dbraw/zinc/98/89/14/437988914.db2.gz VLPIDPNWMKBWOO-HRCADAONSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347984042 437988919 /nfs/dbraw/zinc/98/89/19/437988919.db2.gz VLPIDPNWMKBWOO-HRCADAONSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417195648 438030986 /nfs/dbraw/zinc/03/09/86/438030986.db2.gz OCZMOZGAORQKBJ-DLBZAZTESA-N 1 3 334.464 0.919 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1CNCCO1 ZINC000417371811 438042861 /nfs/dbraw/zinc/04/28/61/438042861.db2.gz VZAKOCLREILGAZ-OAHLLOKOSA-N 1 3 336.436 0.415 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000348007677 437996406 /nfs/dbraw/zinc/99/64/06/437996406.db2.gz WITLUHHURIKZQL-MRXNPFEDSA-N 1 3 326.485 0.938 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000348007677 437996407 /nfs/dbraw/zinc/99/64/07/437996407.db2.gz WITLUHHURIKZQL-MRXNPFEDSA-N 1 3 326.485 0.938 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C=C[C@H](CO)C3)CC2)CC1 ZINC000357856631 438083158 /nfs/dbraw/zinc/08/31/58/438083158.db2.gz STWKGANETXKQIN-HOCLYGCPSA-N 1 3 336.480 0.781 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000348767556 438096877 /nfs/dbraw/zinc/09/68/77/438096877.db2.gz WVGVAJHKSGWWSC-HUUCEWRRSA-N 1 3 336.480 0.553 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000348767556 438096881 /nfs/dbraw/zinc/09/68/81/438096881.db2.gz WVGVAJHKSGWWSC-HUUCEWRRSA-N 1 3 336.480 0.553 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000348767902 438097686 /nfs/dbraw/zinc/09/76/86/438097686.db2.gz YGIXHDQFAUKPKM-HNNXBMFYSA-N 1 3 338.496 0.799 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000348767902 438097690 /nfs/dbraw/zinc/09/76/90/438097690.db2.gz YGIXHDQFAUKPKM-HNNXBMFYSA-N 1 3 338.496 0.799 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000348768616 438098424 /nfs/dbraw/zinc/09/84/24/438098424.db2.gz CLUQSEGXGRUBCT-OAHLLOKOSA-N 1 3 338.496 0.943 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@H](O)CN3)nc2)CC1 ZINC000357919577 438099106 /nfs/dbraw/zinc/09/91/06/438099106.db2.gz KNDXZMMNBHMHNM-LSDHHAIUSA-N 1 3 333.436 0.273 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NC[C@@H]1CCC[NH2+]1 ZINC000417993036 438099565 /nfs/dbraw/zinc/09/95/65/438099565.db2.gz NJOZUJUSNOGTFU-DLBZAZTESA-N 1 3 332.448 0.804 20 0 ECADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000342753705 438057706 /nfs/dbraw/zinc/05/77/06/438057706.db2.gz HGIOMLXKNASEPL-PMPSAXMXSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000417623296 438063094 /nfs/dbraw/zinc/06/30/94/438063094.db2.gz IMMYCEQQTOIZDL-CQSZACIVSA-N 1 3 325.457 0.110 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CNCCO2)[C@H](C)C1 ZINC000417671264 438066927 /nfs/dbraw/zinc/06/69/27/438066927.db2.gz PYOMPHJUOZYANT-PMPSAXMXSA-N 1 3 342.484 0.411 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CNCCO2)[C@H](C)C1 ZINC000417671264 438066930 /nfs/dbraw/zinc/06/69/30/438066930.db2.gz PYOMPHJUOZYANT-PMPSAXMXSA-N 1 3 342.484 0.411 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000417743557 438074106 /nfs/dbraw/zinc/07/41/06/438074106.db2.gz CEADZGWHDUERFV-IAGOWNOFSA-N 1 3 339.528 0.949 20 0 ECADHO CN1CCC[C@H]1C(=O)N(C1CC1)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000357974102 438112643 /nfs/dbraw/zinc/11/26/43/438112643.db2.gz MJMGSSIMOOQMOV-BBWFWOEESA-N 1 3 348.491 0.767 20 0 ECADHO CN1CCC[C@H]1C(=O)N(C1CC1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000357974102 438112645 /nfs/dbraw/zinc/11/26/45/438112645.db2.gz MJMGSSIMOOQMOV-BBWFWOEESA-N 1 3 348.491 0.767 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC([C@H](C)[NH3+])CC2)C1 ZINC000430947858 438133721 /nfs/dbraw/zinc/13/37/21/438133721.db2.gz CLRDEFHIACINOO-RDJZCZTQSA-N 1 3 340.512 0.519 20 0 ECADHO O=C(NCCC[NH2+]Cc1cccnc1)NCCNc1ccncc1 ZINC000418322314 438130543 /nfs/dbraw/zinc/13/05/43/438130543.db2.gz COCTXCMQCPGGJM-UHFFFAOYSA-N 1 3 328.420 0.790 20 0 ECADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418333175 438131854 /nfs/dbraw/zinc/13/18/54/438131854.db2.gz GJGLXWNJNHOPOZ-QFBILLFUSA-N 1 3 346.475 0.922 20 0 ECADHO C[NH2+]C[C@H]1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430955511 438135921 /nfs/dbraw/zinc/13/59/21/438135921.db2.gz AUENDJFFAWQBGF-MRXNPFEDSA-N 1 3 331.464 0.662 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418405202 438140927 /nfs/dbraw/zinc/14/09/27/438140927.db2.gz DFHMDFINJBCONK-HZPDHXFCSA-N 1 3 325.501 0.783 20 0 ECADHO [NH3+]C[C@@H](NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000418413268 438143012 /nfs/dbraw/zinc/14/30/12/438143012.db2.gz YWDRONMEPXKFPZ-SJLPKXTDSA-N 1 3 332.448 0.660 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000358089034 438148201 /nfs/dbraw/zinc/14/82/01/438148201.db2.gz BHRKGHGQWNHYNJ-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@@H](CCCC[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418696711 438176969 /nfs/dbraw/zinc/17/69/69/438176969.db2.gz MORSTTUUHIYUMA-HNNXBMFYSA-N 1 3 341.500 0.795 20 0 ECADHO CCC[NH2+]CCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418486853 438150534 /nfs/dbraw/zinc/15/05/34/438150534.db2.gz GVUMDYITNRFDGO-SFHVURJKSA-N 1 3 334.464 0.922 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000431284987 438152660 /nfs/dbraw/zinc/15/26/60/438152660.db2.gz SGRPLPIVBKXMIE-OAHLLOKOSA-N 1 3 341.500 0.618 20 0 ECADHO [NH3+]CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418508937 438153094 /nfs/dbraw/zinc/15/30/94/438153094.db2.gz LQVNPUNACOTGPT-DLBZAZTESA-N 1 3 334.464 0.908 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000358106064 438153603 /nfs/dbraw/zinc/15/36/03/438153603.db2.gz FDSMIMHOOZGFGQ-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CN1CCC[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431293232 438155080 /nfs/dbraw/zinc/15/50/80/438155080.db2.gz DSIYRHOBYFSUMM-HNNXBMFYSA-N 1 3 339.484 0.372 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000358130573 438162221 /nfs/dbraw/zinc/16/22/21/438162221.db2.gz MIIPFNVNIGGNHB-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000358130573 438162223 /nfs/dbraw/zinc/16/22/23/438162223.db2.gz MIIPFNVNIGGNHB-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418849801 438216157 /nfs/dbraw/zinc/21/61/57/438216157.db2.gz DJVJTRIZUCOMCR-HOTGVXAUSA-N 1 3 332.448 0.144 20 0 ECADHO CC(C)[C@H](C[NH3+])C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000433148927 438227499 /nfs/dbraw/zinc/22/74/99/438227499.db2.gz SEVSLVWXHLZFHG-INIZCTEOSA-N 1 3 334.464 0.825 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433147479 438228315 /nfs/dbraw/zinc/22/83/15/438228315.db2.gz COKRAYHLBKYMLV-KRWDZBQOSA-N 1 3 340.512 0.663 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CC[NH2+]C)C1 ZINC000418869654 438228762 /nfs/dbraw/zinc/22/87/62/438228762.db2.gz SKPCHXZOULJGIF-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418875572 438230727 /nfs/dbraw/zinc/23/07/27/438230727.db2.gz KTHMJGKYEQDUAX-HOTGVXAUSA-N 1 3 332.448 0.129 20 0 ECADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000418909474 438243321 /nfs/dbraw/zinc/24/33/21/438243321.db2.gz JETGFLQHUXKZNO-JSGCOSHPSA-N 1 3 340.468 0.206 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000350982155 438245329 /nfs/dbraw/zinc/24/53/29/438245329.db2.gz IBZRLUFHGGDHBS-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358329378 438201860 /nfs/dbraw/zinc/20/18/60/438201860.db2.gz VRBQECNGTVOETK-HWOWSKLDSA-N 1 3 336.480 0.720 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418825717 438202862 /nfs/dbraw/zinc/20/28/62/438202862.db2.gz USKMTNABTVYHTC-IBGZPJMESA-N 1 3 346.475 0.835 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[C@H]1[NH3+] ZINC000418830235 438205013 /nfs/dbraw/zinc/20/50/13/438205013.db2.gz FQHMXVDCTNKCAU-DJIMGWMZSA-N 1 3 346.475 0.471 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000418832139 438205325 /nfs/dbraw/zinc/20/53/25/438205325.db2.gz YZYNOWQVITXOTQ-APWZRJJASA-N 1 3 344.459 0.717 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)COCC(F)(F)F ZINC000432780885 438210463 /nfs/dbraw/zinc/21/04/63/438210463.db2.gz JDOVQDPIXMUQHP-CQSZACIVSA-N 1 3 341.418 0.884 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)COCC(F)(F)F ZINC000432780885 438210468 /nfs/dbraw/zinc/21/04/68/438210468.db2.gz JDOVQDPIXMUQHP-CQSZACIVSA-N 1 3 341.418 0.884 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(CCCS(=O)(=O)N(C)C)C1 ZINC000350371484 438211080 /nfs/dbraw/zinc/21/10/80/438211080.db2.gz YFMQYMYJSBPKKN-HNNXBMFYSA-N 1 3 335.514 0.701 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419022773 438290175 /nfs/dbraw/zinc/29/01/75/438290175.db2.gz IPHFDAXPWRLITK-QLFBSQMISA-N 1 3 336.480 0.505 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419023186 438290292 /nfs/dbraw/zinc/29/02/92/438290292.db2.gz JGKUVODHEVFYBO-KFWWJZLASA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419022669 438290705 /nfs/dbraw/zinc/29/07/05/438290705.db2.gz IKPYICZKTKBLBK-QLFBSQMISA-N 1 3 340.512 0.912 20 0 ECADHO CCOC(=O)[C@](C)(O)CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000368389958 438323220 /nfs/dbraw/zinc/32/32/20/438323220.db2.gz LCDAOQDIQFUMJP-NVXWUHKLSA-N 1 3 327.469 0.260 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419125458 438333709 /nfs/dbraw/zinc/33/37/09/438333709.db2.gz UBAXZZFEJRXBJS-OWCLPIDISA-N 1 3 338.496 0.953 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000419138095 438340659 /nfs/dbraw/zinc/34/06/59/438340659.db2.gz QDQGADGGIUBFPE-IAGOWNOFSA-N 1 3 346.475 0.963 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000419034007 438299123 /nfs/dbraw/zinc/29/91/23/438299123.db2.gz YXIHPXCJDCJZEE-CABCVRRESA-N 1 3 338.496 0.681 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC000358787801 438302866 /nfs/dbraw/zinc/30/28/66/438302866.db2.gz ONYDKTJJEBVSCP-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC000358787801 438302872 /nfs/dbraw/zinc/30/28/72/438302872.db2.gz ONYDKTJJEBVSCP-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000420123138 438388608 /nfs/dbraw/zinc/38/86/08/438388608.db2.gz AVWRUKDLRPZGJS-ZNMIVQPWSA-N 1 3 326.485 0.951 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000420123138 438388613 /nfs/dbraw/zinc/38/86/13/438388613.db2.gz AVWRUKDLRPZGJS-ZNMIVQPWSA-N 1 3 326.485 0.951 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419146591 438348470 /nfs/dbraw/zinc/34/84/70/438348470.db2.gz BIOFNRWDAADTBZ-HOCLYGCPSA-N 1 3 332.448 0.131 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419146591 438348474 /nfs/dbraw/zinc/34/84/74/438348474.db2.gz BIOFNRWDAADTBZ-HOCLYGCPSA-N 1 3 332.448 0.131 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NCCC[NH+]1CCCC1 ZINC000351865729 438352005 /nfs/dbraw/zinc/35/20/05/438352005.db2.gz PBYTZPILZXMUGZ-UHFFFAOYSA-N 1 3 325.501 0.751 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C[C@H]1[NH3+] ZINC000419425806 438357230 /nfs/dbraw/zinc/35/72/30/438357230.db2.gz PSRJNASPWYUBQM-OIISXLGYSA-N 1 3 344.459 0.745 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1CN ZINC000419772476 438371364 /nfs/dbraw/zinc/37/13/64/438371364.db2.gz HXEITPNSTLSXBV-CJNGLKHVSA-N 1 3 336.480 0.563 20 0 ECADHO CN1CC[C@@H](N2CCC3(CC[N@@H+]([C@@H]4CCN(C)C4=O)C3)CC2)C1=O ZINC000368764565 438378005 /nfs/dbraw/zinc/37/80/05/438378005.db2.gz HSZQTFMLXDTVDI-HUUCEWRRSA-N 1 3 334.464 0.236 20 0 ECADHO CN1CC[C@@H](N2CCC3(CC[N@H+]([C@@H]4CCN(C)C4=O)C3)CC2)C1=O ZINC000368764565 438378010 /nfs/dbraw/zinc/37/80/10/438378010.db2.gz HSZQTFMLXDTVDI-HUUCEWRRSA-N 1 3 334.464 0.236 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000352097308 438381922 /nfs/dbraw/zinc/38/19/22/438381922.db2.gz QYMJWEXEIQVEHR-ZBFHGGJFSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000352097308 438381926 /nfs/dbraw/zinc/38/19/26/438381926.db2.gz QYMJWEXEIQVEHR-ZBFHGGJFSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000352096504 438382750 /nfs/dbraw/zinc/38/27/50/438382750.db2.gz GYQIAJHRVWQING-NVXWUHKLSA-N 1 3 340.512 0.959 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420032508 438383602 /nfs/dbraw/zinc/38/36/02/438383602.db2.gz ICCJZQKRPTVZDU-KGLIPLIRSA-N 1 3 342.484 0.262 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000359267409 438398705 /nfs/dbraw/zinc/39/87/05/438398705.db2.gz VSTOVLMJRYBWQO-AWEZNQCLSA-N 1 3 326.485 0.822 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC(=O)NC ZINC000436360588 438407632 /nfs/dbraw/zinc/40/76/32/438407632.db2.gz IRQNUQVLARTWAM-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC(=O)NC ZINC000436360588 438407635 /nfs/dbraw/zinc/40/76/35/438407635.db2.gz IRQNUQVLARTWAM-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CCN(C)CC2)CC1=O ZINC000369034862 438414992 /nfs/dbraw/zinc/41/49/92/438414992.db2.gz BCPMVRQHJDLVFU-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CCN(C)CC2)CC1=O ZINC000369034862 438414998 /nfs/dbraw/zinc/41/49/98/438414998.db2.gz BCPMVRQHJDLVFU-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)[NH+]1CCCCC1 ZINC000359704932 438482100 /nfs/dbraw/zinc/48/21/00/438482100.db2.gz NLAVBZYKLSMBQQ-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000421522806 438490483 /nfs/dbraw/zinc/49/04/83/438490483.db2.gz SJQLLYGUXBFWTH-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000421522806 438490489 /nfs/dbraw/zinc/49/04/89/438490489.db2.gz SJQLLYGUXBFWTH-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000421791404 438501316 /nfs/dbraw/zinc/50/13/16/438501316.db2.gz IHSFAURBXNOYQY-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422296578 438548301 /nfs/dbraw/zinc/54/83/01/438548301.db2.gz PAGKYOKPKZYXGU-LSDHHAIUSA-N 1 3 326.485 0.774 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422296578 438548304 /nfs/dbraw/zinc/54/83/04/438548304.db2.gz PAGKYOKPKZYXGU-LSDHHAIUSA-N 1 3 326.485 0.774 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@@H+](C4CCCC4)CC3)C[C@@H]21 ZINC000410447747 438585182 /nfs/dbraw/zinc/58/51/82/438585182.db2.gz MQWKVIXSGXPOBI-WBVHZDCISA-N 1 3 348.491 0.626 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@H+](C4CCCC4)CC3)C[C@@H]21 ZINC000410447747 438585185 /nfs/dbraw/zinc/58/51/85/438585185.db2.gz MQWKVIXSGXPOBI-WBVHZDCISA-N 1 3 348.491 0.626 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000410474074 438589132 /nfs/dbraw/zinc/58/91/32/438589132.db2.gz WLBSCXHLDNDTFC-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000410474074 438589135 /nfs/dbraw/zinc/58/91/35/438589135.db2.gz WLBSCXHLDNDTFC-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410584682 438605482 /nfs/dbraw/zinc/60/54/82/438605482.db2.gz LUZWJIQEHXOFIC-DOTOQJQBSA-N 1 3 348.491 0.768 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC(C[NH+](C)C)CC2)CC1(C)C ZINC000442612335 438612786 /nfs/dbraw/zinc/61/27/86/438612786.db2.gz XNIPWWMGJOSYPS-UHFFFAOYSA-N 1 3 339.528 0.996 20 0 ECADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCN(C(C)C)C2=O)CC[NH2+]CC1 ZINC000422980578 438624581 /nfs/dbraw/zinc/62/45/81/438624581.db2.gz LULWNEBCSJOCDB-UONOGXRCSA-N 1 3 325.453 0.907 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423066320 438635012 /nfs/dbraw/zinc/63/50/12/438635012.db2.gz WNCFOPHCLTWXME-DZGCQCFKSA-N 1 3 336.411 0.099 20 0 ECADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423096399 438637787 /nfs/dbraw/zinc/63/77/87/438637787.db2.gz OTTIBFLMZBKBHI-AWEZNQCLSA-N 1 3 336.411 0.276 20 0 ECADHO NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443075262 438640979 /nfs/dbraw/zinc/64/09/79/438640979.db2.gz RIMDPTSYYIFULA-KRWDZBQOSA-N 1 3 346.475 0.951 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[C@@H]1C ZINC000410736548 438649364 /nfs/dbraw/zinc/64/93/64/438649364.db2.gz NZWUSUSLDQGMIG-HRCADAONSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[C@@H]1C ZINC000410736548 438649367 /nfs/dbraw/zinc/64/93/67/438649367.db2.gz NZWUSUSLDQGMIG-HRCADAONSA-N 1 3 338.496 0.870 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423220636 438649762 /nfs/dbraw/zinc/64/97/62/438649762.db2.gz YORPOYARIYSNIA-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423231490 438651495 /nfs/dbraw/zinc/65/14/95/438651495.db2.gz LHVXGCANHOJIHH-UHFFFAOYSA-N 1 3 346.475 0.571 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423238290 438651630 /nfs/dbraw/zinc/65/16/30/438651630.db2.gz JABJPLRDEPLOJT-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CCSC1 ZINC000423336819 438663573 /nfs/dbraw/zinc/66/35/73/438663573.db2.gz JUFCQLSHXMDEPZ-HOCLYGCPSA-N 1 3 337.493 0.975 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423341072 438663864 /nfs/dbraw/zinc/66/38/64/438663864.db2.gz JVXBCEVPPHJLKH-INIZCTEOSA-N 1 3 344.463 0.920 20 0 ECADHO CC(C)[C@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H](C)[NH3+] ZINC000423389835 438671342 /nfs/dbraw/zinc/67/13/42/438671342.db2.gz JUEWWQKLKMZIPX-KFWWJZLASA-N 1 3 326.485 0.665 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)C1)N(C)C ZINC000411371652 438675389 /nfs/dbraw/zinc/67/53/89/438675389.db2.gz APBXJQIZUKLZHR-TUVASFSCSA-N 1 3 326.485 0.535 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)C1)N(C)C ZINC000411371652 438675395 /nfs/dbraw/zinc/67/53/95/438675395.db2.gz APBXJQIZUKLZHR-TUVASFSCSA-N 1 3 326.485 0.535 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423518124 438683273 /nfs/dbraw/zinc/68/32/73/438683273.db2.gz IICZMAPHKOXQOR-UHFFFAOYSA-N 1 3 336.480 0.530 20 0 ECADHO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414703139 438715554 /nfs/dbraw/zinc/71/55/54/438715554.db2.gz XSLXKDGZLAYGAS-CVEARBPZSA-N 1 3 338.496 0.812 20 0 ECADHO CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414703139 438715556 /nfs/dbraw/zinc/71/55/56/438715556.db2.gz XSLXKDGZLAYGAS-CVEARBPZSA-N 1 3 338.496 0.812 20 0 ECADHO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414753480 438716641 /nfs/dbraw/zinc/71/66/41/438716641.db2.gz MNNNIGFHNRBGNY-ARFHVFGLSA-N 1 3 347.525 0.747 20 0 ECADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000414745131 438716650 /nfs/dbraw/zinc/71/66/50/438716650.db2.gz PBEAWEYPTSAAFN-CQSZACIVSA-N 1 3 346.479 0.606 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000454576017 438720822 /nfs/dbraw/zinc/72/08/22/438720822.db2.gz IJNPHDYNIZJUOO-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000454576017 438720824 /nfs/dbraw/zinc/72/08/24/438720824.db2.gz IJNPHDYNIZJUOO-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000454592545 438720964 /nfs/dbraw/zinc/72/09/64/438720964.db2.gz RUKBZJUQPBCCSQ-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000454592545 438720967 /nfs/dbraw/zinc/72/09/67/438720967.db2.gz RUKBZJUQPBCCSQ-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000574928366 438728845 /nfs/dbraw/zinc/72/88/45/438728845.db2.gz SZZMJXZEPICZED-CVEARBPZSA-N 1 3 345.447 0.072 20 0 ECADHO C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000574928366 438728846 /nfs/dbraw/zinc/72/88/46/438728846.db2.gz SZZMJXZEPICZED-CVEARBPZSA-N 1 3 345.447 0.072 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000576094131 438767769 /nfs/dbraw/zinc/76/77/69/438767769.db2.gz RRYIPWZJIDCPKL-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000576108032 438768967 /nfs/dbraw/zinc/76/89/67/438768967.db2.gz KGFLGDYQYAIMPC-STQMWFEESA-N 1 3 329.466 0.164 20 0 ECADHO COC(=O)C[C@H]1CSCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000576108032 438768970 /nfs/dbraw/zinc/76/89/70/438768970.db2.gz KGFLGDYQYAIMPC-STQMWFEESA-N 1 3 329.466 0.164 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000576373689 438780145 /nfs/dbraw/zinc/78/01/45/438780145.db2.gz MYVRXSBRTPYRRJ-NJAFHUGGSA-N 1 3 344.459 0.757 20 0 ECADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CCCC3(CCOCC3)C2)C1=O ZINC000556045258 438781215 /nfs/dbraw/zinc/78/12/15/438781215.db2.gz MLPSKQYPWAANQY-HNNXBMFYSA-N 1 3 337.464 0.958 20 0 ECADHO CN1CCN(CCCCNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000576568835 438788969 /nfs/dbraw/zinc/78/89/69/438788969.db2.gz VARJNGIDHAKPSQ-UHFFFAOYSA-N 1 3 325.501 0.975 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1CCCN1CCCO)C[NH+]1CCCC1 ZINC000457885217 438837823 /nfs/dbraw/zinc/83/78/23/438837823.db2.gz PRPRZWPSJGRDFD-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC000577475377 438844793 /nfs/dbraw/zinc/84/47/93/438844793.db2.gz UGNIFLJVADCVKU-HUUCEWRRSA-N 1 3 325.501 0.829 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NCC2CCN(CCO)CC2)C1 ZINC000458379246 438879421 /nfs/dbraw/zinc/87/94/21/438879421.db2.gz NAQBGRRTKXBWKE-INIZCTEOSA-N 1 3 326.485 0.722 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)NCC2CCN(CCO)CC2)C1 ZINC000458379246 438879425 /nfs/dbraw/zinc/87/94/25/438879425.db2.gz NAQBGRRTKXBWKE-INIZCTEOSA-N 1 3 326.485 0.722 20 0 ECADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)C1CC1 ZINC000577999564 438886736 /nfs/dbraw/zinc/88/67/36/438886736.db2.gz VCPKMHHEEVOSNL-MRXNPFEDSA-N 1 3 330.432 0.101 20 0 ECADHO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000565159024 438921867 /nfs/dbraw/zinc/92/18/67/438921867.db2.gz VLCIQFUCUMMTJS-QZTJIDSGSA-N 1 3 342.528 0.026 20 0 ECADHO COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000565159024 438921868 /nfs/dbraw/zinc/92/18/68/438921868.db2.gz VLCIQFUCUMMTJS-QZTJIDSGSA-N 1 3 342.528 0.026 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000578433753 438922684 /nfs/dbraw/zinc/92/26/84/438922684.db2.gz AAQGGADTDJHGBQ-ZBFHGGJFSA-N 1 3 336.480 0.659 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000516734863 438924413 /nfs/dbraw/zinc/92/44/13/438924413.db2.gz KMWKVPMAXUAESS-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)CNC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000516862033 438930044 /nfs/dbraw/zinc/93/00/44/438930044.db2.gz FKUYYQVTFDTCTG-DAYGRLMNSA-N 1 3 325.497 0.921 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCN(CC3CC3)CC2)C[C@H](C)O1 ZINC000516862033 438930047 /nfs/dbraw/zinc/93/00/47/438930047.db2.gz FKUYYQVTFDTCTG-DAYGRLMNSA-N 1 3 325.497 0.921 20 0 ECADHO CC(C)(CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C[NH+]1CCCC1 ZINC000516879101 438931437 /nfs/dbraw/zinc/93/14/37/438931437.db2.gz LZRXXTGQJWLTJI-UONOGXRCSA-N 1 3 337.468 0.062 20 0 ECADHO CS(=O)(=O)N1CCC[C@H](CN2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000517031516 438947272 /nfs/dbraw/zinc/94/72/72/438947272.db2.gz JNIJJCYCGGSWPJ-CABCVRRESA-N 1 3 345.509 0.345 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000565470151 438953220 /nfs/dbraw/zinc/95/32/20/438953220.db2.gz GAZONMXZRHEZHM-BBWFWOEESA-N 1 3 337.512 0.938 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000459268664 438954561 /nfs/dbraw/zinc/95/45/61/438954561.db2.gz SKMIAMJYPGUJLT-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000459268664 438954564 /nfs/dbraw/zinc/95/45/64/438954564.db2.gz SKMIAMJYPGUJLT-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000565610400 438966255 /nfs/dbraw/zinc/96/62/55/438966255.db2.gz RUKWQEFHTVRXQE-LSDHHAIUSA-N 1 3 326.485 0.713 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000578979664 438971126 /nfs/dbraw/zinc/97/11/26/438971126.db2.gz PMLODKXRMZQIFR-SJORKVTESA-N 1 3 332.448 0.939 20 0 ECADHO CC(C)N1CCC(N(C)C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000579358518 439002133 /nfs/dbraw/zinc/00/21/33/439002133.db2.gz PDJNJVGNZYEPHR-CQSZACIVSA-N 1 3 334.468 0.975 20 0 ECADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC1CNC1 ZINC000579454318 439007987 /nfs/dbraw/zinc/00/79/87/439007987.db2.gz RTUKZMKLCGQQNG-OAHLLOKOSA-N 1 3 330.432 0.055 20 0 ECADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC1CNC1 ZINC000579454318 439007993 /nfs/dbraw/zinc/00/79/93/439007993.db2.gz RTUKZMKLCGQQNG-OAHLLOKOSA-N 1 3 330.432 0.055 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)CC2 ZINC000519364385 439031631 /nfs/dbraw/zinc/03/16/31/439031631.db2.gz SIZQJEBISNKFNY-WCVJEAGWSA-N 1 3 336.480 0.574 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CNCc2ccccc21 ZINC000580645773 439114678 /nfs/dbraw/zinc/11/46/78/439114678.db2.gz YKPIKPOWWYIWLN-DOTOQJQBSA-N 1 3 344.459 0.720 20 0 ECADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C)C[C@H]1CN ZINC000567147090 439117881 /nfs/dbraw/zinc/11/78/81/439117881.db2.gz NDIKVGPHOWRRNK-JKSUJKDBSA-N 1 3 325.501 0.925 20 0 ECADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C)C[C@H]1CN ZINC000567147090 439117884 /nfs/dbraw/zinc/11/78/84/439117884.db2.gz NDIKVGPHOWRRNK-JKSUJKDBSA-N 1 3 325.501 0.925 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580291257 439078888 /nfs/dbraw/zinc/07/88/88/439078888.db2.gz DAVXIHRCFGIIIS-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000580291257 439078896 /nfs/dbraw/zinc/07/88/96/439078896.db2.gz DAVXIHRCFGIIIS-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO CCOC(=O)CC[C@H](O)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000566733462 439084920 /nfs/dbraw/zinc/08/49/20/439084920.db2.gz UFFGTTONALJPQI-HOCLYGCPSA-N 1 3 328.453 0.781 20 0 ECADHO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000602735997 439129782 /nfs/dbraw/zinc/12/97/82/439129782.db2.gz SVISBHTVAFLKPH-STQMWFEESA-N 1 3 334.420 0.706 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000567368886 439137528 /nfs/dbraw/zinc/13/75/28/439137528.db2.gz LMDWACRRNZBSAG-SFHVURJKSA-N 1 3 345.491 0.985 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000567477877 439147683 /nfs/dbraw/zinc/14/76/83/439147683.db2.gz KLCWXMXPPDLPEF-JKSUJKDBSA-N 1 3 347.463 0.773 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000567623634 439158950 /nfs/dbraw/zinc/15/89/50/439158950.db2.gz YSPBISRXAKZNDE-JKSUJKDBSA-N 1 3 331.464 0.932 20 0 ECADHO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)no1 ZINC000597942292 439201123 /nfs/dbraw/zinc/20/11/23/439201123.db2.gz LBQXATLXZYSUSC-NSHDSACASA-N 1 3 326.397 0.463 20 0 ECADHO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)no1 ZINC000597942292 439201127 /nfs/dbraw/zinc/20/11/27/439201127.db2.gz LBQXATLXZYSUSC-NSHDSACASA-N 1 3 326.397 0.463 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000582259884 439312251 /nfs/dbraw/zinc/31/22/51/439312251.db2.gz SGCRAPXRQKAXIT-QDMKHBRRSA-N 1 3 342.484 0.010 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592958903 439321042 /nfs/dbraw/zinc/32/10/42/439321042.db2.gz NRQSPCGEDUCUOD-KBPBESRZSA-N 1 3 335.452 0.560 20 0 ECADHO C[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)CN1CCN(C)CC1 ZINC000592960665 439324253 /nfs/dbraw/zinc/32/42/53/439324253.db2.gz BOJYZHXWLFLTPC-GJZGRUSLSA-N 1 3 348.495 0.333 20 0 ECADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)C1 ZINC000604656284 439325193 /nfs/dbraw/zinc/32/51/93/439325193.db2.gz LCWDPGMLJNKVOL-WBVHZDCISA-N 1 3 335.496 0.645 20 0 ECADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)C1 ZINC000604656284 439325200 /nfs/dbraw/zinc/32/52/00/439325200.db2.gz LCWDPGMLJNKVOL-WBVHZDCISA-N 1 3 335.496 0.645 20 0 ECADHO CC(C)[NH+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)C ZINC000570106536 439392934 /nfs/dbraw/zinc/39/29/34/439392934.db2.gz DGXVYQYIQQLFQM-GJZGRUSLSA-N 1 3 339.484 0.449 20 0 ECADHO C[N@H+](C[C@H](O)CNC[C@@H](CO)Cc1ccncc1Cl)C1CC1 ZINC000570213016 439402364 /nfs/dbraw/zinc/40/23/64/439402364.db2.gz TUAZSXNYBIHNLH-SWLSCSKDSA-N 1 3 327.856 0.931 20 0 ECADHO C[N@@H+](C[C@H](O)CNC[C@@H](CO)Cc1ccncc1Cl)C1CC1 ZINC000570213016 439402368 /nfs/dbraw/zinc/40/23/68/439402368.db2.gz TUAZSXNYBIHNLH-SWLSCSKDSA-N 1 3 327.856 0.931 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000570272761 439405335 /nfs/dbraw/zinc/40/53/35/439405335.db2.gz GHUNIGUQLAIAEP-RTBURBONSA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000570272761 439405338 /nfs/dbraw/zinc/40/53/38/439405338.db2.gz GHUNIGUQLAIAEP-RTBURBONSA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(CCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000570335347 439412126 /nfs/dbraw/zinc/41/21/26/439412126.db2.gz AGEPJIAYWJOVFF-INIZCTEOSA-N 1 3 334.468 0.175 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529366033 439412792 /nfs/dbraw/zinc/41/27/92/439412792.db2.gz MALCDHNZGLLDLE-HNNXBMFYSA-N 1 3 349.479 0.221 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000570321035 439408470 /nfs/dbraw/zinc/40/84/70/439408470.db2.gz AJVAQXRFYNLBTO-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)NC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736173 439457359 /nfs/dbraw/zinc/45/73/59/439457359.db2.gz IQARLSNDPWKUFM-XQLPTFJDSA-N 1 3 340.468 0.827 20 0 ECADHO CC(C)NC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736174 439457954 /nfs/dbraw/zinc/45/79/54/439457954.db2.gz IQARLSNDPWKUFM-ZQDZILKHSA-N 1 3 340.468 0.827 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000584226112 439563335 /nfs/dbraw/zinc/56/33/35/439563335.db2.gz OWXRDTYOJGMURI-OAGGEKHMSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(NC1CC(N2CCCCC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000573321899 439639592 /nfs/dbraw/zinc/63/95/92/439639592.db2.gz CIQFVWYJOZSCQS-WLYUNCDWSA-N 1 3 332.452 0.777 20 0 ECADHO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000574385544 439701149 /nfs/dbraw/zinc/70/11/49/439701149.db2.gz WXTSRYWQOSYNCX-AWEZNQCLSA-N 1 3 346.422 0.737 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000574411365 439703818 /nfs/dbraw/zinc/70/38/18/439703818.db2.gz FKJPJKXDYHWFNH-OAHLLOKOSA-N 1 3 336.484 0.201 20 0 ECADHO N[C@H]1C[C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595275003 439687972 /nfs/dbraw/zinc/68/79/72/439687972.db2.gz DEXLSXJYMYMLKR-CVEARBPZSA-N 1 3 349.479 0.062 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000574216319 439690782 /nfs/dbraw/zinc/69/07/82/439690782.db2.gz GCNBFLXYCROSCE-OAHLLOKOSA-N 1 3 346.475 0.936 20 0 ECADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612925410 439746228 /nfs/dbraw/zinc/74/62/28/439746228.db2.gz VHRPBPYVWNZIOD-MELADBBJSA-N 1 3 349.483 0.444 20 0 ECADHO CCN(C(=O)C(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CCN(CC)C1 ZINC000611991683 439741979 /nfs/dbraw/zinc/74/19/79/439741979.db2.gz RLRDLBRXWAPZBO-GPANFISMSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CCCCNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CCCN1C ZINC000615123459 439794518 /nfs/dbraw/zinc/79/45/18/439794518.db2.gz UZZYYKGAVTXMDS-PMPSAXMXSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CCCCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)[C@@H]1CCCN1C ZINC000615123459 439794519 /nfs/dbraw/zinc/79/45/19/439794519.db2.gz UZZYYKGAVTXMDS-PMPSAXMXSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CNC(=O)c1cccc2c1CC[NH2+]C2)CN1CCN(C)CC1 ZINC000662756468 439878499 /nfs/dbraw/zinc/87/84/99/439878499.db2.gz IABPNVKNTPASHP-HNNXBMFYSA-N 1 3 330.476 0.946 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000652546153 439888191 /nfs/dbraw/zinc/88/81/91/439888191.db2.gz WABTXCKGFOFBPN-SFHVURJKSA-N 1 3 336.480 0.485 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000652546153 439888196 /nfs/dbraw/zinc/88/81/96/439888196.db2.gz WABTXCKGFOFBPN-SFHVURJKSA-N 1 3 336.480 0.485 20 0 ECADHO CN1CCN(CCCCNS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631737461 439905683 /nfs/dbraw/zinc/90/56/83/439905683.db2.gz PCOQXGXMOVQWDI-UHFFFAOYSA-N 1 3 346.541 0.419 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662834665 439909454 /nfs/dbraw/zinc/90/94/54/439909454.db2.gz IMRBFFAPDIABMF-FMKPAKJESA-N 1 3 332.452 0.777 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652675458 439912836 /nfs/dbraw/zinc/91/28/36/439912836.db2.gz XWHNRSFXNSHXGU-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000626859071 439918668 /nfs/dbraw/zinc/91/86/68/439918668.db2.gz KOAJHNHDGJLLLD-UHFFFAOYSA-N 1 3 348.447 0.353 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000626945144 439967369 /nfs/dbraw/zinc/96/73/69/439967369.db2.gz QLDZSXIVJUGLGK-INIZCTEOSA-N 1 3 334.464 0.966 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000626973886 439976553 /nfs/dbraw/zinc/97/65/53/439976553.db2.gz KXSQABXENNDTCP-LSDHHAIUSA-N 1 3 339.484 0.369 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000652719110 439942171 /nfs/dbraw/zinc/94/21/71/439942171.db2.gz UWKAOGYPWIJXOF-INIZCTEOSA-N 1 3 332.448 0.575 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC3CC2(C[NH3+])C3)o1 ZINC000662924934 439945756 /nfs/dbraw/zinc/94/57/56/439945756.db2.gz BCNIZAYTZSUYJL-UHFFFAOYSA-N 1 3 348.447 0.428 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000662930959 439948686 /nfs/dbraw/zinc/94/86/86/439948686.db2.gz ZXVMJPDDHAABCW-UHFFFAOYSA-N 1 3 346.475 0.917 20 0 ECADHO CN(CCN)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642252524 439961110 /nfs/dbraw/zinc/96/11/10/439961110.db2.gz RRKMUVMHHWYYBL-MRXNPFEDSA-N 1 3 332.448 0.432 20 0 ECADHO CN(CCN)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642252524 439961115 /nfs/dbraw/zinc/96/11/15/439961115.db2.gz RRKMUVMHHWYYBL-MRXNPFEDSA-N 1 3 332.448 0.432 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1=O ZINC000662943734 439961195 /nfs/dbraw/zinc/96/11/95/439961195.db2.gz BNBUBJYPRXCCAZ-BYNSBNAKSA-N 1 3 340.443 0.217 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1=O ZINC000662943734 439961198 /nfs/dbraw/zinc/96/11/98/439961198.db2.gz BNBUBJYPRXCCAZ-BYNSBNAKSA-N 1 3 340.443 0.217 20 0 ECADHO CC(C)(C[NH3+])C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663015407 439989345 /nfs/dbraw/zinc/98/93/45/439989345.db2.gz VIVVOGJIQIILFQ-CYBMUJFWSA-N 1 3 334.468 0.510 20 0 ECADHO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014350 439990290 /nfs/dbraw/zinc/99/02/90/439990290.db2.gz LFNIULMYNCPPSM-HUUCEWRRSA-N 1 3 346.479 0.667 20 0 ECADHO CN(C)CCOCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627018842 439990795 /nfs/dbraw/zinc/99/07/95/439990795.db2.gz IANABXXYIJKAPA-VXGBXAGGSA-N 1 3 340.390 0.733 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)NC2(C[NH3+])CCOCC2)CCCO1 ZINC000627020432 439991637 /nfs/dbraw/zinc/99/16/37/439991637.db2.gz IISVHHISPXNGJT-CQSZACIVSA-N 1 3 328.457 0.294 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642641297 439996128 /nfs/dbraw/zinc/99/61/28/439996128.db2.gz HFDMQTQZRGSKKV-ZBFHGGJFSA-N 1 3 334.464 0.723 20 0 ECADHO COCC1(CNS(=O)(=O)CCCN2CCCC2)CC[NH2+]CC1 ZINC000631937774 439996999 /nfs/dbraw/zinc/99/69/99/439996999.db2.gz ZSXXJMZSNFUZFO-UHFFFAOYSA-N 1 3 333.498 0.408 20 0 ECADHO NCCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640842 439997784 /nfs/dbraw/zinc/99/77/84/439997784.db2.gz BFFSKSJAZGBPBA-GVDBMIGSSA-N 1 3 344.459 0.478 20 0 ECADHO NCCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640842 439997791 /nfs/dbraw/zinc/99/77/91/439997791.db2.gz BFFSKSJAZGBPBA-GVDBMIGSSA-N 1 3 344.459 0.478 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000636701218 440001289 /nfs/dbraw/zinc/00/12/89/440001289.db2.gz KGKRENLIFRVBIZ-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971818 440020885 /nfs/dbraw/zinc/02/08/85/440020885.db2.gz YTUNZTQAAADAHM-OKILXGFUSA-N 1 3 341.481 0.186 20 0 ECADHO CN(C)CCN1C(=O)C[C@@H]([N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)C1=O ZINC000663222932 440038717 /nfs/dbraw/zinc/03/87/17/440038717.db2.gz OPAVBBZDAHUKAG-OLMNPRSZSA-N 1 3 335.448 0.568 20 0 ECADHO CN(C)CCN1C(=O)C[C@@H]([N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)C1=O ZINC000663222932 440038722 /nfs/dbraw/zinc/03/87/22/440038722.db2.gz OPAVBBZDAHUKAG-OLMNPRSZSA-N 1 3 335.448 0.568 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000636672930 439987762 /nfs/dbraw/zinc/98/77/62/439987762.db2.gz OAJSPWBXNWGLJT-RDJZCZTQSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000636672930 439987771 /nfs/dbraw/zinc/98/77/71/439987771.db2.gz OAJSPWBXNWGLJT-RDJZCZTQSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000636672930 439987777 /nfs/dbraw/zinc/98/77/77/439987777.db2.gz OAJSPWBXNWGLJT-RDJZCZTQSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@]1(C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]C1 ZINC000663014657 439988704 /nfs/dbraw/zinc/98/87/04/439988704.db2.gz MYDRFVIKOXVKFM-RDTXWAMCSA-N 1 3 346.479 0.525 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CCC[NH2+]C1 ZINC000642973373 440073957 /nfs/dbraw/zinc/07/39/57/440073957.db2.gz JQDAJWBQAPDXAI-SFHVURJKSA-N 1 3 345.447 0.236 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636870837 440074446 /nfs/dbraw/zinc/07/44/46/440074446.db2.gz DFMCJGAZJKNXMU-XOKHGSTOSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636870837 440074452 /nfs/dbraw/zinc/07/44/52/440074452.db2.gz DFMCJGAZJKNXMU-XOKHGSTOSA-N 1 3 348.491 0.718 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1nc2c(s1)CNCC2 ZINC000663493796 440085180 /nfs/dbraw/zinc/08/51/80/440085180.db2.gz KDRRHNGKXOCQOB-GFCCVEGCSA-N 1 3 337.493 0.608 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000642809739 440046972 /nfs/dbraw/zinc/04/69/72/440046972.db2.gz CTCWZFJDRZSNRN-XQLPTFJDSA-N 1 3 336.480 0.419 20 0 ECADHO CN1CCN(CC2CCN(C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC000627217579 440048631 /nfs/dbraw/zinc/04/86/31/440048631.db2.gz QKRNVZKUFGUUNA-UHFFFAOYSA-N 1 3 341.500 0.021 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000627312293 440116200 /nfs/dbraw/zinc/11/62/00/440116200.db2.gz VRLPRCSBXDCHGV-DGXTUMSLSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000627333008 440129785 /nfs/dbraw/zinc/12/97/85/440129785.db2.gz QQHKELUNVNWDGN-QGZVFWFLSA-N 1 3 346.475 0.474 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000627333008 440129790 /nfs/dbraw/zinc/12/97/90/440129790.db2.gz QQHKELUNVNWDGN-QGZVFWFLSA-N 1 3 346.475 0.474 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(CC)([NH+](C)C)CC2)C1 ZINC000637021162 440134399 /nfs/dbraw/zinc/13/43/99/440134399.db2.gz XVPCAISOOSMXFZ-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1)[C@H]1CCN(CC)C1 ZINC000658826349 440141790 /nfs/dbraw/zinc/14/17/90/440141790.db2.gz PFEUTZPQQOLYJR-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1)[C@H]1CCN(CC)C1 ZINC000658826349 440141792 /nfs/dbraw/zinc/14/17/92/440141792.db2.gz PFEUTZPQQOLYJR-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)[C@H]1CCN(CC)C1 ZINC000658826350 440142875 /nfs/dbraw/zinc/14/28/75/440142875.db2.gz PFEUTZPQQOLYJR-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)[C@H]1CCN(CC)C1 ZINC000658826350 440142880 /nfs/dbraw/zinc/14/28/80/440142880.db2.gz PFEUTZPQQOLYJR-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@H]1CCN(CC)C1 ZINC000658827682 440142969 /nfs/dbraw/zinc/14/29/69/440142969.db2.gz WLGFKAVZPBNSAL-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCc2ccc(C[NH3+])cc2F)CC1=O ZINC000653224051 440098061 /nfs/dbraw/zinc/09/80/61/440098061.db2.gz HWOQDQWXYCRCGF-CQSZACIVSA-N 1 3 336.411 0.311 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N(C)Cc1ccccc1 ZINC000627303910 440107522 /nfs/dbraw/zinc/10/75/22/440107522.db2.gz GWCTWZSXXOZNHA-HLLBOEOZSA-N 1 3 346.475 0.880 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627311647 440113796 /nfs/dbraw/zinc/11/37/96/440113796.db2.gz DOZJXFRZABTUTC-QLFBSQMISA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CN1C1CC1 ZINC000653426301 440166731 /nfs/dbraw/zinc/16/67/31/440166731.db2.gz NYRPDJGIDNLBHW-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000653432061 440172281 /nfs/dbraw/zinc/17/22/81/440172281.db2.gz ZNBCMHZOHHSLDS-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000653432061 440172284 /nfs/dbraw/zinc/17/22/84/440172284.db2.gz ZNBCMHZOHHSLDS-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627394809 440177048 /nfs/dbraw/zinc/17/70/48/440177048.db2.gz QUXXEPAZCNDDSO-KGLIPLIRSA-N 1 3 336.480 0.624 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000643494633 440187244 /nfs/dbraw/zinc/18/72/44/440187244.db2.gz RGSIBWOTHKTGFP-GVDBMIGSSA-N 1 3 348.491 0.531 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@]4(O)C[C@H]4C3)CC2)CC1 ZINC000663876436 440188180 /nfs/dbraw/zinc/18/81/80/440188180.db2.gz GQAXVICOKKWPOL-KBXCAEBGSA-N 1 3 336.480 0.711 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643500551 440189806 /nfs/dbraw/zinc/18/98/06/440189806.db2.gz ASQSHGZKIWXQSI-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000643516675 440196242 /nfs/dbraw/zinc/19/62/42/440196242.db2.gz IVXMZOISKGTUPJ-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627427316 440197455 /nfs/dbraw/zinc/19/74/55/440197455.db2.gz BPBRCWVWQSIJJK-ZBFHGGJFSA-N 1 3 348.491 0.910 20 0 ECADHO COC[C@@H](CCC[NH3+])NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000647800549 440154391 /nfs/dbraw/zinc/15/43/91/440154391.db2.gz FDHIIDKTCHKGQO-OLZOCXBDSA-N 1 3 328.434 0.565 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCN(c2ccncc2)CC1 ZINC000627445942 440211739 /nfs/dbraw/zinc/21/17/39/440211739.db2.gz BXUXUJCVLQNIFF-HNNXBMFYSA-N 1 3 343.431 0.131 20 0 ECADHO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000643592275 440213927 /nfs/dbraw/zinc/21/39/27/440213927.db2.gz WVZPAUOMWHODNJ-QGZVFWFLSA-N 1 3 344.459 0.671 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000643593732 440217087 /nfs/dbraw/zinc/21/70/87/440217087.db2.gz MBZBVLCUNWNSRG-HZMVEIRTSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000643594587 440217879 /nfs/dbraw/zinc/21/78/79/440217879.db2.gz VLFNDRKYRAYXDO-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)C[NH+](C)C ZINC000659080464 440232547 /nfs/dbraw/zinc/23/25/47/440232547.db2.gz AUQDSJHZFXCZPV-XJKSGUPXSA-N 1 3 348.447 0.600 20 0 ECADHO CC(=O)N1CCN(C(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647976722 440203258 /nfs/dbraw/zinc/20/32/58/440203258.db2.gz SPMYHHRJZQZQFB-IRXDYDNUSA-N 1 3 336.480 0.389 20 0 ECADHO CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976747 440204169 /nfs/dbraw/zinc/20/41/69/440204169.db2.gz SYRDIHAZKZIRNJ-JKSUJKDBSA-N 1 3 338.496 0.683 20 0 ECADHO CC(=O)N1CCN(C(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647976721 440205233 /nfs/dbraw/zinc/20/52/33/440205233.db2.gz SPMYHHRJZQZQFB-IAGOWNOFSA-N 1 3 336.480 0.389 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000627499505 440241756 /nfs/dbraw/zinc/24/17/56/440241756.db2.gz PGDOYXSMPFDVCP-GXTWGEPZSA-N 1 3 338.477 0.505 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000664128571 440240601 /nfs/dbraw/zinc/24/06/01/440240601.db2.gz MDTIFEQRMISKFG-GJZGRUSLSA-N 1 3 325.501 0.794 20 0 ECADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000648152937 440246567 /nfs/dbraw/zinc/24/65/67/440246567.db2.gz QBOJOFCZQYZBTJ-HUUCEWRRSA-N 1 3 344.450 0.860 20 0 ECADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000648152937 440246572 /nfs/dbraw/zinc/24/65/72/440246572.db2.gz QBOJOFCZQYZBTJ-HUUCEWRRSA-N 1 3 344.450 0.860 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000659103703 440249910 /nfs/dbraw/zinc/24/99/10/440249910.db2.gz UWAGYHJDGSUZJN-AWEZNQCLSA-N 1 3 330.432 0.871 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc(N2CCOCC2)ncn1 ZINC000664197297 440257030 /nfs/dbraw/zinc/25/70/30/440257030.db2.gz VDFRVUIKPWMODV-HNNXBMFYSA-N 1 3 336.484 0.997 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc(N2CCOCC2)ncn1 ZINC000664197297 440257032 /nfs/dbraw/zinc/25/70/32/440257032.db2.gz VDFRVUIKPWMODV-HNNXBMFYSA-N 1 3 336.484 0.997 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)N[C@H]1CCC[NH2+]C1 ZINC000659518471 440354052 /nfs/dbraw/zinc/35/40/52/440354052.db2.gz XUFMRMKLBODILD-DLBZAZTESA-N 1 3 332.448 0.804 20 0 ECADHO CO[C@@]1(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCOC1 ZINC000664672133 440356113 /nfs/dbraw/zinc/35/61/13/440356113.db2.gz SFGHKLQCFGGTOB-GOEBONIOSA-N 1 3 330.473 0.363 20 0 ECADHO CO[C@@]1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCOC1 ZINC000664672133 440356118 /nfs/dbraw/zinc/35/61/18/440356118.db2.gz SFGHKLQCFGGTOB-GOEBONIOSA-N 1 3 330.473 0.363 20 0 ECADHO [NH3+][C@H](CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)C1CC1 ZINC000659527443 440356569 /nfs/dbraw/zinc/35/65/69/440356569.db2.gz LBAMOBLLWKSZLL-DLBZAZTESA-N 1 3 332.448 0.790 20 0 ECADHO [NH3+]CCC[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659545067 440358506 /nfs/dbraw/zinc/35/85/06/440358506.db2.gz HSQOHSODHDMTPW-CQSZACIVSA-N 1 3 344.419 0.920 20 0 ECADHO O=C(NC[C@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659556610 440364019 /nfs/dbraw/zinc/36/40/19/440364019.db2.gz ZMOSDWOAWAXQAW-PMPSAXMXSA-N 1 3 336.411 0.559 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659558371 440365099 /nfs/dbraw/zinc/36/50/99/440365099.db2.gz FBTKMTDZVAUOIX-UHFFFAOYSA-N 1 3 330.392 0.360 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000654659688 440372817 /nfs/dbraw/zinc/37/28/17/440372817.db2.gz IYPFMVXZLRLIHU-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659680239 440415476 /nfs/dbraw/zinc/41/54/76/440415476.db2.gz CLCYKLKMZVZTLW-VNSJNIRKSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000633038987 440417603 /nfs/dbraw/zinc/41/76/03/440417603.db2.gz RKMOAWLXDIVCFQ-QWHCGFSZSA-N 1 3 334.420 0.514 20 0 ECADHO CC[C@@H](CNC(=O)CN1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000638070146 440422680 /nfs/dbraw/zinc/42/26/80/440422680.db2.gz VGDFRNRQJPHQFY-SFHVURJKSA-N 1 3 330.476 0.845 20 0 ECADHO CCCN1CC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000659613310 440375918 /nfs/dbraw/zinc/37/59/18/440375918.db2.gz ZQLBIJGEZWEULR-HUUCEWRRSA-N 1 3 339.484 0.500 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)NC(N)=O ZINC000654679564 440378309 /nfs/dbraw/zinc/37/83/09/440378309.db2.gz ZFKSLGHIJVPCNK-ZIAGYGMSSA-N 1 3 327.473 0.308 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)NC(N)=O ZINC000654679564 440378313 /nfs/dbraw/zinc/37/83/13/440378313.db2.gz ZFKSLGHIJVPCNK-ZIAGYGMSSA-N 1 3 327.473 0.308 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000649075480 440385123 /nfs/dbraw/zinc/38/51/23/440385123.db2.gz DIPLAXAFHCBSTQ-CQSZACIVSA-N 1 3 332.448 0.940 20 0 ECADHO CN(C(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1)C1CC([NH3+])C1 ZINC000633004942 440404795 /nfs/dbraw/zinc/40/47/95/440404795.db2.gz GDGQFWZIPFTQAX-UHFFFAOYSA-N 1 3 334.424 0.036 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC2CC1(CN)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000659676166 440412034 /nfs/dbraw/zinc/41/20/34/440412034.db2.gz FOJUNLIMTGOZPE-PPXVZNSRSA-N 1 3 348.491 0.705 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC2CC1(CN)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000659676166 440412039 /nfs/dbraw/zinc/41/20/39/440412039.db2.gz FOJUNLIMTGOZPE-PPXVZNSRSA-N 1 3 348.491 0.705 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638137839 440461443 /nfs/dbraw/zinc/46/14/43/440461443.db2.gz PAUPRYJIRWQZJR-WBVHZDCISA-N 1 3 326.485 0.132 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000649321197 440461969 /nfs/dbraw/zinc/46/19/69/440461969.db2.gz OCUZAQSNJFHCEQ-DAXOMENPSA-N 1 3 333.436 0.158 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659725159 440462824 /nfs/dbraw/zinc/46/28/24/440462824.db2.gz YFCXBDBUYQXWGE-IIAWOOMASA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C[NH+]1CCCC1 ZINC000644196983 440469664 /nfs/dbraw/zinc/46/96/64/440469664.db2.gz JXFMUUVDHVXVHB-VNQPRFMTSA-N 1 3 334.468 0.588 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659734617 440471712 /nfs/dbraw/zinc/47/17/12/440471712.db2.gz ACOZSRWXLOLCAK-CQSZACIVSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659740160 440475857 /nfs/dbraw/zinc/47/58/57/440475857.db2.gz DNVONAITOGPOCW-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000633086150 440434161 /nfs/dbraw/zinc/43/41/61/440434161.db2.gz JLAHBFQKLFYQIU-HUUCEWRRSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)[C@H](C[NH3+])C1 ZINC000659701738 440437698 /nfs/dbraw/zinc/43/76/98/440437698.db2.gz ISDJNHWHBMSXGJ-PBHICJAKSA-N 1 3 346.475 0.950 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000659704362 440439271 /nfs/dbraw/zinc/43/92/71/440439271.db2.gz LGJGQGPHEICZCC-HNNXBMFYSA-N 1 3 338.496 0.873 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659708111 440441991 /nfs/dbraw/zinc/44/19/91/440441991.db2.gz MZQLSHLQTLPTJR-UHFFFAOYSA-N 1 3 342.484 0.188 20 0 ECADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC000649295920 440445670 /nfs/dbraw/zinc/44/56/70/440445670.db2.gz GUJGWVUSAJUPDE-FVQHAEBGSA-N 1 3 342.443 0.788 20 0 ECADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCC[NH3+])C1 ZINC000659711313 440446820 /nfs/dbraw/zinc/44/68/20/440446820.db2.gz ZECTTXVZUMDHRN-MRXNPFEDSA-N 1 3 332.448 0.227 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659754255 440490162 /nfs/dbraw/zinc/49/01/62/440490162.db2.gz CJROBDVIWLRQNO-CQSZACIVSA-N 1 3 334.464 0.821 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000665763006 440524283 /nfs/dbraw/zinc/52/42/83/440524283.db2.gz XCQYEUORKYAZSD-YOEHRIQHSA-N 1 3 339.484 0.180 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000665763006 440524288 /nfs/dbraw/zinc/52/42/88/440524288.db2.gz XCQYEUORKYAZSD-YOEHRIQHSA-N 1 3 339.484 0.180 20 0 ECADHO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294601 440525019 /nfs/dbraw/zinc/52/50/19/440525019.db2.gz CHKMJPPAKIEGLZ-OKZBNKHCSA-N 1 3 329.444 0.786 20 0 ECADHO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294601 440525025 /nfs/dbraw/zinc/52/50/25/440525025.db2.gz CHKMJPPAKIEGLZ-OKZBNKHCSA-N 1 3 329.444 0.786 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000665759762 440525162 /nfs/dbraw/zinc/52/51/62/440525162.db2.gz OVHKHFWYXRMCKK-AWEZNQCLSA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000665759762 440525167 /nfs/dbraw/zinc/52/51/67/440525167.db2.gz OVHKHFWYXRMCKK-AWEZNQCLSA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H](O)[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665764148 440528558 /nfs/dbraw/zinc/52/85/58/440528558.db2.gz WBRBVVRLAGJJJW-ZNMIVQPWSA-N 1 3 330.473 0.050 20 0 ECADHO C[C@@H](O)[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665764148 440528564 /nfs/dbraw/zinc/52/85/64/440528564.db2.gz WBRBVVRLAGJJJW-ZNMIVQPWSA-N 1 3 330.473 0.050 20 0 ECADHO O=C(CCC1C[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638438817 440541575 /nfs/dbraw/zinc/54/15/75/440541575.db2.gz DCWWUZBGYLBSDW-OAHLLOKOSA-N 1 3 346.479 0.525 20 0 ECADHO CCn1ncnc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000638462385 440542607 /nfs/dbraw/zinc/54/26/07/440542607.db2.gz MFYLZVXBDUXQCD-UHFFFAOYSA-N 1 3 329.452 0.995 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H](C(N)=O)C3)CC2)CC1 ZINC000628776572 440542682 /nfs/dbraw/zinc/54/26/82/440542682.db2.gz SKUGUFLDBODXCF-SHTZXODSSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCNC(=O)C2)cc1 ZINC000638874271 440638047 /nfs/dbraw/zinc/63/80/47/440638047.db2.gz XPSLNBOWHHZBIP-INIZCTEOSA-N 1 3 332.448 0.736 20 0 ECADHO C[C@H](NC(=O)NC[C@H]1CCCCN1CCO)C1CC[NH+](C)CC1 ZINC000655576638 440593423 /nfs/dbraw/zinc/59/34/23/440593423.db2.gz ORSRSMUICCNXKS-GOEBONIOSA-N 1 3 326.485 0.863 20 0 ECADHO O=C(Nc1ccc2c(c1)OCCNC2)c1cn(C2CC[NH2+]CC2)nn1 ZINC000638667967 440598312 /nfs/dbraw/zinc/59/83/12/440598312.db2.gz GFPKCCPZININNM-UHFFFAOYSA-N 1 3 342.403 0.937 20 0 ECADHO CCCN(C)CC(=O)N1CC2CN(C(=O)C[N@H+](C)CCC)CC2C1 ZINC000650400265 440634080 /nfs/dbraw/zinc/63/40/80/440634080.db2.gz UNHNAEURNDGCDQ-UHFFFAOYSA-N 1 3 338.496 0.587 20 0 ECADHO CCCN(C)CC(=O)N1CC2CN(C(=O)C[N@@H+](C)CCC)CC2C1 ZINC000650400265 440634087 /nfs/dbraw/zinc/63/40/87/440634087.db2.gz UNHNAEURNDGCDQ-UHFFFAOYSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655923815 440647336 /nfs/dbraw/zinc/64/73/36/440647336.db2.gz BYXOPVPFCZWMBD-WDEREUQCSA-N 1 3 325.379 0.201 20 0 ECADHO COCCOC[C@@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000644577199 440648807 /nfs/dbraw/zinc/64/88/07/440648807.db2.gz AOHNMFALXQGAJZ-KRWDZBQOSA-N 1 3 343.512 0.550 20 0 ECADHO C[C@H]1CN(CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)CCCO1 ZINC000655929739 440650083 /nfs/dbraw/zinc/65/00/83/440650083.db2.gz WGGOHKGFBQLVIK-WDEREUQCSA-N 1 3 326.363 0.676 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638928924 440652788 /nfs/dbraw/zinc/65/27/88/440652788.db2.gz CMIYDEIQEZTNCV-DGCLKSJQSA-N 1 3 331.420 0.865 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000650669598 440668436 /nfs/dbraw/zinc/66/84/36/440668436.db2.gz IZVJSBLATQIVDO-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000650669598 440668441 /nfs/dbraw/zinc/66/84/41/440668441.db2.gz IZVJSBLATQIVDO-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCN4C[C@H](O)C[C@H]4C3)cc2C1 ZINC000655909147 440640715 /nfs/dbraw/zinc/64/07/15/440640715.db2.gz ATJGUIXDZGVEOR-VHDGCEQUSA-N 1 3 331.420 0.180 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CCC[NH2+]C1 ZINC000656020670 440692078 /nfs/dbraw/zinc/69/20/78/440692078.db2.gz VDEQTVOYVZPUPT-JJXSEGSLSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000634709820 440693751 /nfs/dbraw/zinc/69/37/51/440693751.db2.gz ONAXVXDHQDAFEE-YTQUADARSA-N 1 3 333.476 0.932 20 0 ECADHO C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000634709820 440693756 /nfs/dbraw/zinc/69/37/56/440693756.db2.gz ONAXVXDHQDAFEE-YTQUADARSA-N 1 3 333.476 0.932 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656029374 440699515 /nfs/dbraw/zinc/69/95/15/440699515.db2.gz ZAHWLHCCDHBRJR-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)N(C)CC[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000650922374 440710242 /nfs/dbraw/zinc/71/02/42/440710242.db2.gz GPSKOLFVLXKRPN-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO O=C1CC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CCN1 ZINC000634957765 440726237 /nfs/dbraw/zinc/72/62/37/440726237.db2.gz WXPOFTRBQUFHNB-INIZCTEOSA-N 1 3 331.464 0.852 20 0 ECADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCNC(=O)CC2)cc1 ZINC000634963655 440728478 /nfs/dbraw/zinc/72/84/78/440728478.db2.gz ZRHRSTOZJTVGDQ-INIZCTEOSA-N 1 3 332.448 0.736 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000660830327 440738576 /nfs/dbraw/zinc/73/85/76/440738576.db2.gz LNNWEXOVNJAOCQ-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000660830327 440738578 /nfs/dbraw/zinc/73/85/78/440738578.db2.gz LNNWEXOVNJAOCQ-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO [NH3+]CCCCn1cc(C(=O)N2CCN(c3ccncc3)CC2)nn1 ZINC000645221282 440766246 /nfs/dbraw/zinc/76/62/46/440766246.db2.gz LNTUKJOJKSZGFT-UHFFFAOYSA-N 1 3 329.408 0.374 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nnc2n1CCC2 ZINC000656540214 440818071 /nfs/dbraw/zinc/81/80/71/440818071.db2.gz DHDXZIHXYSIWMN-ZDUSSCGKSA-N 1 3 337.472 0.296 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nnc2n1CCC2 ZINC000656540214 440818075 /nfs/dbraw/zinc/81/80/75/440818075.db2.gz DHDXZIHXYSIWMN-ZDUSSCGKSA-N 1 3 337.472 0.296 20 0 ECADHO COCCN(C)C[C@@H](O)CN1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000639880492 440824405 /nfs/dbraw/zinc/82/44/05/440824405.db2.gz PHFUBKDGXSAARX-IAGOWNOFSA-N 1 3 343.512 0.501 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C2)C1 ZINC000661988508 440949608 /nfs/dbraw/zinc/94/96/08/440949608.db2.gz YBFJHGDMMXEFLW-AEFFLSMTSA-N 1 3 336.480 0.977 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C2)C1 ZINC000661988508 440949614 /nfs/dbraw/zinc/94/96/14/440949614.db2.gz YBFJHGDMMXEFLW-AEFFLSMTSA-N 1 3 336.480 0.977 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000640568946 440953727 /nfs/dbraw/zinc/95/37/27/440953727.db2.gz BOVXYNUEICQIFI-FUHWJXTLSA-N 1 3 337.512 0.798 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000645958610 440958142 /nfs/dbraw/zinc/95/81/42/440958142.db2.gz PMPYHOKYKQSFRE-GOEBONIOSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)[C@@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@H](C)[NH3+] ZINC000646075321 440987646 /nfs/dbraw/zinc/98/76/46/440987646.db2.gz BFDSBOLQWBCSNA-SWLSCSKDSA-N 1 3 338.456 0.119 20 0 ECADHO O=C(NCC(F)(F)F)C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662251937 440995205 /nfs/dbraw/zinc/99/52/05/440995205.db2.gz IYXSAVSLZMAXTE-GFCCVEGCSA-N 1 3 335.370 0.898 20 0 ECADHO O=C1CNCCN1[C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662266086 441001369 /nfs/dbraw/zinc/00/13/69/441001369.db2.gz FAAPUJUGCSLRRH-KRWDZBQOSA-N 1 3 328.460 0.729 20 0 ECADHO C[NH+]1CCC(O)(CNCc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631077505 441006182 /nfs/dbraw/zinc/00/61/82/441006182.db2.gz GJLUXAYSJHIXEG-UHFFFAOYSA-N 1 3 347.868 0.534 20 0 ECADHO CN1CCC(C[NH2+]Cc2cnn3c2CCC3)(N2CCOCC2)CC1 ZINC000657490147 441008484 /nfs/dbraw/zinc/00/84/84/441008484.db2.gz GCVHTDGIGAWPEJ-UHFFFAOYSA-N 1 3 333.480 0.716 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662316897 441011421 /nfs/dbraw/zinc/01/14/21/441011421.db2.gz XJXSMKAFBMIUNB-HUUCEWRRSA-N 1 3 335.514 0.782 20 0 ECADHO c1ncn(CCN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662337879 441017888 /nfs/dbraw/zinc/01/78/88/441017888.db2.gz NCQJKCQVCPACBD-AWEZNQCLSA-N 1 3 330.440 0.290 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662406247 441032375 /nfs/dbraw/zinc/03/23/75/441032375.db2.gz WOHZABNTHHHFJB-HOCLYGCPSA-N 1 3 330.432 0.535 20 0 ECADHO CC(C)OC[C@H](N)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000662427046 441037692 /nfs/dbraw/zinc/03/76/92/441037692.db2.gz AWFXJSFVAICOKF-KRWDZBQOSA-N 1 3 349.479 0.462 20 0 ECADHO COCCCN1CCC(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662439539 441041164 /nfs/dbraw/zinc/04/11/64/441041164.db2.gz OQOUWRJVWLEKFZ-CYBMUJFWSA-N 1 3 335.452 0.717 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652319168 441049733 /nfs/dbraw/zinc/04/97/33/441049733.db2.gz NTQKBVAULNCTOU-OAHLLOKOSA-N 1 3 325.501 0.701 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662492863 441056669 /nfs/dbraw/zinc/05/66/69/441056669.db2.gz AZCSGARCVCCYKC-LSDHHAIUSA-N 1 3 348.495 0.490 20 0 ECADHO C[N@H+](C[C@@H](O)Cn1cc(COc2ccccc2CN)nn1)C1CC1 ZINC000641221737 441078561 /nfs/dbraw/zinc/07/85/61/441078561.db2.gz IIJJUKVANKLMNU-MRXNPFEDSA-N 1 3 331.420 0.771 20 0 ECADHO C[N@@H+](C[C@@H](O)Cn1cc(COc2ccccc2CN)nn1)C1CC1 ZINC000641221737 441078565 /nfs/dbraw/zinc/07/85/65/441078565.db2.gz IIJJUKVANKLMNU-MRXNPFEDSA-N 1 3 331.420 0.771 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000187915836 320538043 /nfs/dbraw/zinc/53/80/43/320538043.db2.gz AQGGSIJNJUPUAX-UONOGXRCSA-N 1 3 327.494 0.841 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000339673419 320996189 /nfs/dbraw/zinc/99/61/89/320996189.db2.gz VJEAMHQDOXQYQR-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340202240 321020552 /nfs/dbraw/zinc/02/05/52/321020552.db2.gz CZUBKPFDYNIVHV-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000340205197 321021516 /nfs/dbraw/zinc/02/15/16/321021516.db2.gz ZMHHGHSACVFMJB-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000340205197 321021517 /nfs/dbraw/zinc/02/15/17/321021517.db2.gz ZMHHGHSACVFMJB-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000340218820 321024030 /nfs/dbraw/zinc/02/40/30/321024030.db2.gz VQMCDCLBIZVTJP-GJZGRUSLSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000340218820 321024031 /nfs/dbraw/zinc/02/40/31/321024031.db2.gz VQMCDCLBIZVTJP-GJZGRUSLSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[N@@H+]1C ZINC000340424574 321043661 /nfs/dbraw/zinc/04/36/61/321043661.db2.gz RJQKEKPDKMOVGS-WWGRRREGSA-N 1 3 342.509 0.139 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[N@H+]1C ZINC000340424574 321043662 /nfs/dbraw/zinc/04/36/62/321043662.db2.gz RJQKEKPDKMOVGS-WWGRRREGSA-N 1 3 342.509 0.139 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000342032907 321072850 /nfs/dbraw/zinc/07/28/50/321072850.db2.gz IHTRCMSATMBMSL-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000342032907 321072852 /nfs/dbraw/zinc/07/28/52/321072852.db2.gz IHTRCMSATMBMSL-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000342043654 321073310 /nfs/dbraw/zinc/07/33/10/321073310.db2.gz RXDWRPJAGANNEP-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)N(C)C1CC1 ZINC000342902089 321109022 /nfs/dbraw/zinc/10/90/22/321109022.db2.gz FTSNMYQVNGUTIS-ZDUSSCGKSA-N 1 3 338.496 0.964 20 0 ECADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000343254381 321130422 /nfs/dbraw/zinc/13/04/22/321130422.db2.gz XGRNTAKOCMFCEA-YYIAUSFCSA-N 1 3 338.496 0.321 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000344646569 321158384 /nfs/dbraw/zinc/15/83/84/321158384.db2.gz QNMFIKFEIKHHQD-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000344646569 321158385 /nfs/dbraw/zinc/15/83/85/321158385.db2.gz QNMFIKFEIKHHQD-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000347052839 321228815 /nfs/dbraw/zinc/22/88/15/321228815.db2.gz KOBKVFNSICLHPV-HOCLYGCPSA-N 1 3 338.496 0.824 20 0 ECADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000352519655 321363319 /nfs/dbraw/zinc/36/33/19/321363319.db2.gz QONVYIBNBMCWPU-INIZCTEOSA-N 1 3 346.479 0.719 20 0 ECADHO COCC[NH+]1CCC(NC[C@@]2(CO)COCC3(CCC3)N2C)CC1 ZINC000527945873 322015837 /nfs/dbraw/zinc/01/58/37/322015837.db2.gz GESVLLOYIBLJTE-GOSISDBHSA-N 1 3 341.496 0.303 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000545883748 322111060 /nfs/dbraw/zinc/11/10/60/322111060.db2.gz ZRYRWBDTXFJVSX-WBVHZDCISA-N 1 3 326.485 0.720 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000545883748 322111064 /nfs/dbraw/zinc/11/10/64/322111064.db2.gz ZRYRWBDTXFJVSX-WBVHZDCISA-N 1 3 326.485 0.720 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cncc(-n2ccnn2)c1 ZINC000549341453 322160931 /nfs/dbraw/zinc/16/09/31/322160931.db2.gz YWGRHHSPODFWRX-UHFFFAOYSA-N 1 3 331.424 0.228 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@]3(O)CCOC3)CC2)CC1 ZINC000557656178 322207810 /nfs/dbraw/zinc/20/78/10/322207810.db2.gz CWPQZTJWYRZMKW-SFHVURJKSA-N 1 3 339.480 0.450 20 0 ECADHO Cc1cnc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000557892044 322211815 /nfs/dbraw/zinc/21/18/15/322211815.db2.gz PNCIPSKOZUVQLJ-UHFFFAOYSA-N 1 3 341.481 0.020 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000558029473 322213554 /nfs/dbraw/zinc/21/35/54/322213554.db2.gz AXORCJIHKUKRER-BYNSBNAKSA-N 1 3 326.485 0.535 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000561256816 322257922 /nfs/dbraw/zinc/25/79/22/322257922.db2.gz PFXNNEKGKNCSHY-HUUCEWRRSA-N 1 3 326.485 0.870 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000563093931 322297229 /nfs/dbraw/zinc/29/72/29/322297229.db2.gz XQQQXZHYJOVZNM-UONOGXRCSA-N 1 3 349.479 0.903 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc3c2CCNC3)CCC1 ZINC000563444330 322319955 /nfs/dbraw/zinc/31/99/55/322319955.db2.gz BXENDBNCZMWAPA-UHFFFAOYSA-N 1 3 330.432 0.871 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000563692465 322338919 /nfs/dbraw/zinc/33/89/19/322338919.db2.gz RFQLWMKJCQWHEP-SJORKVTESA-N 1 3 333.480 0.444 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000563804857 322344689 /nfs/dbraw/zinc/34/46/89/322344689.db2.gz NYCKBMCXBMTZNK-CQSZACIVSA-N 1 3 330.432 0.823 20 0 ECADHO CO[C@H]1CN[C@@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000563888309 322351116 /nfs/dbraw/zinc/35/11/16/322351116.db2.gz IABVLFPTWLLRLN-HUUCEWRRSA-N 1 3 334.420 0.892 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000563946581 322354813 /nfs/dbraw/zinc/35/48/13/322354813.db2.gz AQHDEYGBIGMMOA-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000563960720 322356039 /nfs/dbraw/zinc/35/60/39/322356039.db2.gz VONVAIUUSYSYTO-INIZCTEOSA-N 1 3 335.452 0.071 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000564328233 322369143 /nfs/dbraw/zinc/36/91/43/322369143.db2.gz LQNXBVJRQRGNTB-IRXDYDNUSA-N 1 3 332.448 0.788 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000567266908 322577770 /nfs/dbraw/zinc/57/77/70/322577770.db2.gz MYGLMSUJVJZTTA-UONOGXRCSA-N 1 3 327.473 0.308 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000567863254 322602048 /nfs/dbraw/zinc/60/20/48/322602048.db2.gz GYANRSZYKJBIAP-RISCZKNCSA-N 1 3 343.497 0.419 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000569344457 322651312 /nfs/dbraw/zinc/65/13/12/322651312.db2.gz MCPMGLFVAJRWAA-DOTOQJQBSA-N 1 3 348.495 0.563 20 0 ECADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000576838149 322817770 /nfs/dbraw/zinc/81/77/70/322817770.db2.gz HKKNQSCVTQLURO-ZIAGYGMSSA-N 1 3 337.468 0.203 20 0 ECADHO C[C@@H](CC[N@H+](C)CCN1CCOCC1)N(C)CCN1CCOCC1 ZINC000153482643 545823341 /nfs/dbraw/zinc/82/33/41/545823341.db2.gz WRIPWFDXYJIIJV-SFHVURJKSA-N 1 3 342.528 0.293 20 0 ECADHO C[C@@H](CC[N@@H+](C)CCN1CCOCC1)N(C)CCN1CCOCC1 ZINC000153482643 545823348 /nfs/dbraw/zinc/82/33/48/545823348.db2.gz WRIPWFDXYJIIJV-SFHVURJKSA-N 1 3 342.528 0.293 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000161644710 545853942 /nfs/dbraw/zinc/85/39/42/545853942.db2.gz BYIPDWPASGRVGJ-QKPAOTATSA-N 1 3 336.480 0.705 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000342997844 546091372 /nfs/dbraw/zinc/09/13/72/546091372.db2.gz XALXDAXPUCDHIP-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO OC[C@@H]1CSCCN1CCCCC[N@@H+]1CCSC[C@H]1CO ZINC000343710340 546099325 /nfs/dbraw/zinc/09/93/25/546099325.db2.gz DTSKKJWFEVJUEM-HUUCEWRRSA-N 1 3 334.551 0.976 20 0 ECADHO OC[C@@H]1CSCCN1CCCCC[N@H+]1CCSC[C@H]1CO ZINC000343710340 546099330 /nfs/dbraw/zinc/09/93/30/546099330.db2.gz DTSKKJWFEVJUEM-HUUCEWRRSA-N 1 3 334.551 0.976 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353300206 546146979 /nfs/dbraw/zinc/14/69/79/546146979.db2.gz CEUBOCFUYNFXEB-INIZCTEOSA-N 1 3 327.517 0.996 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622026544 546608715 /nfs/dbraw/zinc/60/87/15/546608715.db2.gz MFDKNXJZBRGMQC-SIIHOXLZSA-N 1 3 336.480 0.515 20 0 ECADHO CN1CCN(Cc2ccc(CNC[C@@H](O)C[N@H+](C)C3CC3)cc2)CC1 ZINC000644521440 547407726 /nfs/dbraw/zinc/40/77/26/547407726.db2.gz HTMOVMCQNIZFRD-HXUWFJFHSA-N 1 3 346.519 0.979 20 0 ECADHO CN1CCN(Cc2ccc(CNC[C@@H](O)C[N@@H+](C)C3CC3)cc2)CC1 ZINC000644521440 547407733 /nfs/dbraw/zinc/40/77/33/547407733.db2.gz HTMOVMCQNIZFRD-HXUWFJFHSA-N 1 3 346.519 0.979 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000667541814 547530230 /nfs/dbraw/zinc/53/02/30/547530230.db2.gz BKTHLYYTBIVXDR-GOEBONIOSA-N 1 3 330.432 0.897 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC000668302372 547614827 /nfs/dbraw/zinc/61/48/27/547614827.db2.gz FTLJJZZSQHVHAD-XHSDSOJGSA-N 1 3 338.496 0.633 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000668329532 547619064 /nfs/dbraw/zinc/61/90/64/547619064.db2.gz ZLCBFRMTUINTCF-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO CC1[C@H](C(=O)N[C@H]2CCCN(C)C2)[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000668329710 547619449 /nfs/dbraw/zinc/61/94/49/547619449.db2.gz AXCWXQZJGUHPPF-VGWMRTNUSA-N 1 3 336.480 0.289 20 0 ECADHO CC1[C@H](C(=O)N[C@H]2CCCN(C)C2)[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000668329710 547619453 /nfs/dbraw/zinc/61/94/53/547619453.db2.gz AXCWXQZJGUHPPF-VGWMRTNUSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000668499018 547670256 /nfs/dbraw/zinc/67/02/56/547670256.db2.gz ZUNVJSKEOMDBBP-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000668499018 547670261 /nfs/dbraw/zinc/67/02/61/547670261.db2.gz ZUNVJSKEOMDBBP-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000668682486 547723329 /nfs/dbraw/zinc/72/33/29/547723329.db2.gz IFMQRHAUTBRENP-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000668933078 547792970 /nfs/dbraw/zinc/79/29/70/547792970.db2.gz AMEUBUVKARUVED-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCNC[C@@](C)(F)C3)C2)CC1 ZINC000669484159 547894782 /nfs/dbraw/zinc/89/47/82/547894782.db2.gz FTCNHRSLVYOTHY-RHSMWYFYSA-N 1 3 341.475 0.498 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCNC[C@@](C)(F)C3)C2)CC1 ZINC000669484159 547894787 /nfs/dbraw/zinc/89/47/87/547894787.db2.gz FTCNHRSLVYOTHY-RHSMWYFYSA-N 1 3 341.475 0.498 20 0 ECADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCNC[C@@](C)(F)C3)C2)CC1 ZINC000669484159 547894788 /nfs/dbraw/zinc/89/47/88/547894788.db2.gz FTCNHRSLVYOTHY-RHSMWYFYSA-N 1 3 341.475 0.498 20 0 ECADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000670783544 548049719 /nfs/dbraw/zinc/04/97/19/548049719.db2.gz AYOIHZUFBVQOOC-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000670783544 548049721 /nfs/dbraw/zinc/04/97/21/548049721.db2.gz AYOIHZUFBVQOOC-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000670983086 548074834 /nfs/dbraw/zinc/07/48/34/548074834.db2.gz DQIVTDKOPBZSBM-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C[NH+]1CCCC1 ZINC000671172564 548104740 /nfs/dbraw/zinc/10/47/40/548104740.db2.gz IMSAWQWEDMCDOP-ZBFHGGJFSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671180782 548105971 /nfs/dbraw/zinc/10/59/71/548105971.db2.gz WHFJRZCJOWQYNL-BZUAXINKSA-N 1 3 334.464 0.330 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671180782 548105972 /nfs/dbraw/zinc/10/59/72/548105972.db2.gz WHFJRZCJOWQYNL-BZUAXINKSA-N 1 3 334.464 0.330 20 0 ECADHO CN1CC[C@H]([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)[C@@H]2CCC[C@H]21 ZINC000671747828 548225916 /nfs/dbraw/zinc/22/59/16/548225916.db2.gz PXJCRLUEFQRLPL-YDZRNGNQSA-N 1 3 336.524 0.855 20 0 ECADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@@H]2CCC[C@H]21 ZINC000671747828 548225919 /nfs/dbraw/zinc/22/59/19/548225919.db2.gz PXJCRLUEFQRLPL-YDZRNGNQSA-N 1 3 336.524 0.855 20 0 ECADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@@H]2CCC[C@H]21 ZINC000671747828 548225922 /nfs/dbraw/zinc/22/59/22/548225922.db2.gz PXJCRLUEFQRLPL-YDZRNGNQSA-N 1 3 336.524 0.855 20 0 ECADHO CN1CC[C@H]([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000671747826 548226295 /nfs/dbraw/zinc/22/62/95/548226295.db2.gz PXJCRLUEFQRLPL-XWSJACJDSA-N 1 3 336.524 0.855 20 0 ECADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000671747826 548226297 /nfs/dbraw/zinc/22/62/97/548226297.db2.gz PXJCRLUEFQRLPL-XWSJACJDSA-N 1 3 336.524 0.855 20 0 ECADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000671747826 548226300 /nfs/dbraw/zinc/22/63/00/548226300.db2.gz PXJCRLUEFQRLPL-XWSJACJDSA-N 1 3 336.524 0.855 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000671963500 548246809 /nfs/dbraw/zinc/24/68/09/548246809.db2.gz QGTLVHTTYUDFMO-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013278 548256233 /nfs/dbraw/zinc/25/62/33/548256233.db2.gz CZQNMFQDJNTFPY-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672308085 548303478 /nfs/dbraw/zinc/30/34/78/548303478.db2.gz YPFLECSPRMHAGC-KLAILNCOSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000681161222 549228662 /nfs/dbraw/zinc/22/86/62/549228662.db2.gz QMFOIHSRDDCXJT-WBVHZDCISA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000681161222 549228668 /nfs/dbraw/zinc/22/86/68/549228668.db2.gz QMFOIHSRDDCXJT-WBVHZDCISA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000685309774 549677517 /nfs/dbraw/zinc/67/75/17/549677517.db2.gz JOTCCXWJRWVZQE-XOUADPBQSA-N 1 3 336.480 0.526 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000685309774 549677519 /nfs/dbraw/zinc/67/75/19/549677519.db2.gz JOTCCXWJRWVZQE-XOUADPBQSA-N 1 3 336.480 0.526 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC000749373381 579337346 /nfs/dbraw/zinc/33/73/46/579337346.db2.gz GGEHGSAQLWCOKH-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC000749373381 579337347 /nfs/dbraw/zinc/33/73/47/579337347.db2.gz GGEHGSAQLWCOKH-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000749373381 579337348 /nfs/dbraw/zinc/33/73/48/579337348.db2.gz GGEHGSAQLWCOKH-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000749373381 579337349 /nfs/dbraw/zinc/33/73/49/579337349.db2.gz GGEHGSAQLWCOKH-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCN1CCOCC1 ZINC000725716904 578133151 /nfs/dbraw/zinc/13/31/51/578133151.db2.gz AWQZOACIPVZWJO-KRWDZBQOSA-N 1 3 340.512 0.583 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCN1CCOCC1 ZINC000725716904 578133152 /nfs/dbraw/zinc/13/31/52/578133152.db2.gz AWQZOACIPVZWJO-KRWDZBQOSA-N 1 3 340.512 0.583 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000788574270 578840099 /nfs/dbraw/zinc/84/00/99/578840099.db2.gz RWHKWQYXQDARAG-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000788574270 578840100 /nfs/dbraw/zinc/84/01/00/578840100.db2.gz RWHKWQYXQDARAG-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nnnn1C1CC1 ZINC000790724063 578879327 /nfs/dbraw/zinc/87/93/27/578879327.db2.gz OJZHQVPTSJKCMT-LBPRGKRZSA-N 1 3 338.460 0.204 20 0 ECADHO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793697161 578935509 /nfs/dbraw/zinc/93/55/09/578935509.db2.gz HBNLEGSVCNHQIG-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CN1CCC(NC(=S)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000767691168 579113955 /nfs/dbraw/zinc/11/39/55/579113955.db2.gz SJTCPOUHDYBVPY-CVEARBPZSA-N 1 3 340.537 0.923 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)C3(O)CCSCC3)CC2)CC1 ZINC000764936329 579581212 /nfs/dbraw/zinc/58/12/12/579581212.db2.gz GQUSBBHUWPXRDH-UHFFFAOYSA-N 1 3 341.521 0.919 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743394327 579797535 /nfs/dbraw/zinc/79/75/35/579797535.db2.gz JQWGDNQIYBIHAJ-AWEZNQCLSA-N 1 3 337.468 0.376 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000842189048 589019396 /nfs/dbraw/zinc/01/93/96/589019396.db2.gz MHSQHBCIRRUMAZ-IBGZPJMESA-N 1 3 346.475 0.741 20 0 ECADHO C[C@@H](CNC(=O)N1CC[NH2+]CCC12CCC2)CN1CCN(C)CC1 ZINC000891601054 586180420 /nfs/dbraw/zinc/18/04/20/586180420.db2.gz FPPRAQYRZMZQJX-INIZCTEOSA-N 1 3 337.512 0.798 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000891710082 586191098 /nfs/dbraw/zinc/19/10/98/586191098.db2.gz GMMWIMYTRWNCDM-IRXDYDNUSA-N 1 3 336.480 0.854 20 0 ECADHO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000891766879 586195679 /nfs/dbraw/zinc/19/56/79/586195679.db2.gz YOLQRVHHAQHZGJ-XKQJLSEDSA-N 1 3 332.448 0.790 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892037944 586217282 /nfs/dbraw/zinc/21/72/82/586217282.db2.gz PJTUUXUOTISEFR-HNNXBMFYSA-N 1 3 325.501 0.781 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896139205 586223348 /nfs/dbraw/zinc/22/33/48/586223348.db2.gz YXIZAVVAKYRTEI-INIZCTEOSA-N 1 3 325.453 0.324 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000892281764 586242083 /nfs/dbraw/zinc/24/20/83/586242083.db2.gz LVWDKHWNPGRDKU-AWEZNQCLSA-N 1 3 333.436 0.810 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)[NH2+]C1 ZINC000892384178 586261821 /nfs/dbraw/zinc/26/18/21/586261821.db2.gz PRBLODQXAMQTMH-LSDHHAIUSA-N 1 3 326.485 0.911 20 0 ECADHO COC(=O)c1cc(C)c(C(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000896678749 586268234 /nfs/dbraw/zinc/26/82/34/586268234.db2.gz ANFQAMDNFSANEV-UHFFFAOYSA-N 1 3 325.409 0.940 20 0 ECADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C1CN(C2CCOCC2)C1 ZINC000897235972 586290459 /nfs/dbraw/zinc/29/04/59/586290459.db2.gz VRLBSBWCVFQHNJ-QGZVFWFLSA-N 1 3 339.480 0.450 20 0 ECADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C1CN(C2CCOCC2)C1 ZINC000897235972 586290460 /nfs/dbraw/zinc/29/04/60/586290460.db2.gz VRLBSBWCVFQHNJ-QGZVFWFLSA-N 1 3 339.480 0.450 20 0 ECADHO CCC1([NH3+])CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000892924743 586300664 /nfs/dbraw/zinc/30/06/64/586300664.db2.gz COMRFCOHKNTDFA-HNNXBMFYSA-N 1 3 325.501 0.925 20 0 ECADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000897340943 586301213 /nfs/dbraw/zinc/30/12/13/586301213.db2.gz BHRVQNPATUIWFG-AWEZNQCLSA-N 1 3 345.447 0.329 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000893236894 586318081 /nfs/dbraw/zinc/31/80/81/586318081.db2.gz DUXLIYWGPCPZGW-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000893236894 586318084 /nfs/dbraw/zinc/31/80/84/586318084.db2.gz DUXLIYWGPCPZGW-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](C)C1)CN1CCN(C)CC1 ZINC000893239232 586319009 /nfs/dbraw/zinc/31/90/09/586319009.db2.gz ZASAKFUTHQRGKK-HOTGVXAUSA-N 1 3 325.501 0.511 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](C)C1)CN1CCN(C)CC1 ZINC000893239232 586319011 /nfs/dbraw/zinc/31/90/11/586319011.db2.gz ZASAKFUTHQRGKK-HOTGVXAUSA-N 1 3 325.501 0.511 20 0 ECADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000893867888 586364331 /nfs/dbraw/zinc/36/43/31/586364331.db2.gz TTYIGLYZFIZRPX-IAGOWNOFSA-N 1 3 337.512 0.891 20 0 ECADHO COC(=O)[C@H]1[C@@H](CN2CCC(C(=O)NCC[NH+](C)C)CC2)C1(F)F ZINC000893978595 586369163 /nfs/dbraw/zinc/36/91/63/586369163.db2.gz UGJRIPGIAUTKLT-CHWSQXEVSA-N 1 3 347.406 0.431 20 0 ECADHO CC1(C)CC[N@H+](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000898590287 586434585 /nfs/dbraw/zinc/43/45/85/586434585.db2.gz FVVDXQUBGLTWII-HNNXBMFYSA-N 1 3 326.485 0.864 20 0 ECADHO CC1(C)CC[N@@H+](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000898590287 586434587 /nfs/dbraw/zinc/43/45/87/586434587.db2.gz FVVDXQUBGLTWII-HNNXBMFYSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1[C@@H](C)N(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)[C@H]1CCCN1C ZINC000898987574 586460818 /nfs/dbraw/zinc/46/08/18/586460818.db2.gz OTTXENQNODMMMQ-KLHDSHLOSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1[C@@H](C)N(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)[C@H]1CCCN1C ZINC000898987574 586460820 /nfs/dbraw/zinc/46/08/20/586460820.db2.gz OTTXENQNODMMMQ-KLHDSHLOSA-N 1 3 336.480 0.623 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000899664698 586494274 /nfs/dbraw/zinc/49/42/74/586494274.db2.gz OGXHINOXXZOXCS-OWCLPIDISA-N 1 3 340.537 0.876 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000899664698 586494275 /nfs/dbraw/zinc/49/42/75/586494275.db2.gz OGXHINOXXZOXCS-OWCLPIDISA-N 1 3 340.537 0.876 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900338786 586625619 /nfs/dbraw/zinc/62/56/19/586625619.db2.gz IEUOWOGIKLJNRK-GOSISDBHSA-N 1 3 347.463 0.619 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900338786 586625620 /nfs/dbraw/zinc/62/56/20/586625620.db2.gz IEUOWOGIKLJNRK-GOSISDBHSA-N 1 3 347.463 0.619 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)C12CC[NH+](CC1)C2 ZINC000900455482 586632582 /nfs/dbraw/zinc/63/25/82/586632582.db2.gz SIQJGLPHYPHJON-UHFFFAOYSA-N 1 3 343.475 0.806 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000843265160 589058781 /nfs/dbraw/zinc/05/87/81/589058781.db2.gz QSQHZVFXQSFROK-HOTGVXAUSA-N 1 3 348.491 0.861 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000901162234 586699796 /nfs/dbraw/zinc/69/97/96/586699796.db2.gz LFCVEVIXTMPVBJ-LHHMISFZSA-N 1 3 339.480 0.543 20 0 ECADHO O=C(NC[C@H]1CCCN1C(=O)C12CCN(CC1)C2)C12CC[NH+](CC1)C2 ZINC000901160337 586699841 /nfs/dbraw/zinc/69/98/41/586699841.db2.gz ZFTVKDLBFFIUHI-OAHLLOKOSA-N 1 3 346.475 0.285 20 0 ECADHO CC1(OCC(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CNC1 ZINC000843331901 589061943 /nfs/dbraw/zinc/06/19/43/589061943.db2.gz FYODLVOHYJODFI-HNNXBMFYSA-N 1 3 347.415 0.912 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)NCCC(C)C)C2 ZINC000903492344 586779448 /nfs/dbraw/zinc/77/94/48/586779448.db2.gz NPQLXHFFMPRKKJ-ZJOBFFGXSA-N 1 3 325.453 0.750 20 0 ECADHO C[C@@H]1CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)CCO1 ZINC000903510507 586780779 /nfs/dbraw/zinc/78/07/79/586780779.db2.gz RGTOLECLIAKIEH-OIISXLGYSA-N 1 3 336.480 0.134 20 0 ECADHO C[C@@H]1CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)CCO1 ZINC000903510507 586780782 /nfs/dbraw/zinc/78/07/82/586780782.db2.gz RGTOLECLIAKIEH-OIISXLGYSA-N 1 3 336.480 0.134 20 0 ECADHO COCCc1noc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000903510882 586780995 /nfs/dbraw/zinc/78/09/95/586780995.db2.gz SSQCUGNDKYCMGO-GASCZTMLSA-N 1 3 335.452 0.659 20 0 ECADHO COCCc1noc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000903510882 586780996 /nfs/dbraw/zinc/78/09/96/586780996.db2.gz SSQCUGNDKYCMGO-GASCZTMLSA-N 1 3 335.452 0.659 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@@H]1N ZINC000903719844 586801917 /nfs/dbraw/zinc/80/19/17/586801917.db2.gz YHSIPXCHCGSMOE-HNNXBMFYSA-N 1 3 336.480 0.659 20 0 ECADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000838301388 586803853 /nfs/dbraw/zinc/80/38/53/586803853.db2.gz CYMNGYJRPKSMID-BQFCYCMXSA-N 1 3 336.480 0.977 20 0 ECADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000838301388 586803854 /nfs/dbraw/zinc/80/38/54/586803854.db2.gz CYMNGYJRPKSMID-BQFCYCMXSA-N 1 3 336.480 0.977 20 0 ECADHO COC(=O)CCN(C[C@@H]1CCCO1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752607 586805335 /nfs/dbraw/zinc/80/53/35/586805335.db2.gz OFZSTDUHFPUJHO-YQQAZPJKSA-N 1 3 326.437 0.799 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@H]1CC[NH3+] ZINC000903737472 586805975 /nfs/dbraw/zinc/80/59/75/586805975.db2.gz BQLWJGFSPDRSBP-BZUAXINKSA-N 1 3 336.480 0.517 20 0 ECADHO CC(C)OC(=O)C1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000903953702 586827874 /nfs/dbraw/zinc/82/78/74/586827874.db2.gz JFQGYGNMBGYKQR-CQSZACIVSA-N 1 3 325.453 0.847 20 0 ECADHO NC(=O)COc1ccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000904391758 586836652 /nfs/dbraw/zinc/83/66/52/586836652.db2.gz JJCVMLWRQSZKQH-MRXNPFEDSA-N 1 3 333.432 0.881 20 0 ECADHO C[NH+]1CCC(NC[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905026759 586866373 /nfs/dbraw/zinc/86/63/73/586866373.db2.gz OMIBXKZTLYYLMI-CQSZACIVSA-N 1 3 347.525 0.672 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905081010 586867093 /nfs/dbraw/zinc/86/70/93/586867093.db2.gz GEFRFPNGWREOLW-CVEARBPZSA-N 1 3 341.496 0.467 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905081010 586867095 /nfs/dbraw/zinc/86/70/95/586867095.db2.gz GEFRFPNGWREOLW-CVEARBPZSA-N 1 3 341.496 0.467 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC[C@H](O)C2(O)CCOCC2)cc1 ZINC000905089373 586868210 /nfs/dbraw/zinc/86/82/10/586868210.db2.gz OXZKKXZCDSZVEZ-KRWDZBQOSA-N 1 3 338.448 0.619 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000817912773 587391613 /nfs/dbraw/zinc/39/16/13/587391613.db2.gz RUDFLAWIQDIGLN-CMPLNLGQSA-N 1 3 325.425 0.838 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000817926440 587392309 /nfs/dbraw/zinc/39/23/09/587392309.db2.gz IUQGREVOQKOBHK-QGZVFWFLSA-N 1 3 346.475 0.440 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1CN1CCCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817942879 587392945 /nfs/dbraw/zinc/39/29/45/587392945.db2.gz GXVJPJUIVYRBEV-YJBOKZPZSA-N 1 3 334.464 0.428 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817966217 587393827 /nfs/dbraw/zinc/39/38/27/587393827.db2.gz IZOCYKLFTZFAHN-RKVPGOIHSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000844171303 589098263 /nfs/dbraw/zinc/09/82/63/589098263.db2.gz ORGIDBKWYCMBIT-KBPBESRZSA-N 1 3 331.407 0.991 20 0 ECADHO COC[C@@]1(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000844171658 589098313 /nfs/dbraw/zinc/09/83/13/589098313.db2.gz PJYGDOQBTASUOP-NVXWUHKLSA-N 1 3 325.453 0.372 20 0 ECADHO NCc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000825627644 587953863 /nfs/dbraw/zinc/95/38/63/587953863.db2.gz OJEZRWFYCACVFU-WBVHZDCISA-N 1 3 344.459 0.866 20 0 ECADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000826839610 588086697 /nfs/dbraw/zinc/08/66/97/588086697.db2.gz BMPWRXXDHVCCJK-LSDHHAIUSA-N 1 3 341.500 0.868 20 0 ECADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000826839610 588086699 /nfs/dbraw/zinc/08/66/99/588086699.db2.gz BMPWRXXDHVCCJK-LSDHHAIUSA-N 1 3 341.500 0.868 20 0 ECADHO O[C@@H]1COCCN(CCCCCCCC[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000830633751 588379717 /nfs/dbraw/zinc/37/97/17/588379717.db2.gz YWXKGKNCLQTODM-ROUUACIJSA-N 1 3 344.496 0.713 20 0 ECADHO O[C@@H]1COCCN(CCCCCCCC[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000830633751 588379718 /nfs/dbraw/zinc/37/97/18/588379718.db2.gz YWXKGKNCLQTODM-ROUUACIJSA-N 1 3 344.496 0.713 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000846144959 589188740 /nfs/dbraw/zinc/18/87/40/589188740.db2.gz LHAHEMGTDOIHMD-JKSUJKDBSA-N 1 3 340.468 0.260 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000848615643 589304041 /nfs/dbraw/zinc/30/40/41/589304041.db2.gz BZRMRKOKXQFGFA-MDZRGWNJSA-N 1 3 348.491 0.722 20 0 ECADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)NC(C)(C)C ZINC000849070376 589319334 /nfs/dbraw/zinc/31/93/34/589319334.db2.gz PXYHJIQWYPHYDE-LBPRGKRZSA-N 1 3 333.502 0.303 20 0 ECADHO CCN1CCC[C@H]1CNC(=S)NCCN(C)CCC[NH+](C)C ZINC000849280630 589324301 /nfs/dbraw/zinc/32/43/01/589324301.db2.gz YIELLIDXNLGEDX-HNNXBMFYSA-N 1 3 329.558 0.818 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849524473 589339683 /nfs/dbraw/zinc/33/96/83/589339683.db2.gz IEAJTRFUICXACI-YESZJQIVSA-N 1 3 349.479 0.292 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849524473 589339685 /nfs/dbraw/zinc/33/96/85/589339685.db2.gz IEAJTRFUICXACI-YESZJQIVSA-N 1 3 349.479 0.292 20 0 ECADHO NC[C@@H]1CC(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)=NO1 ZINC000852796703 589512295 /nfs/dbraw/zinc/51/22/95/589512295.db2.gz STVMPIJRWQQNCO-KGLIPLIRSA-N 1 3 346.387 0.638 20 0 ECADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852907645 589524330 /nfs/dbraw/zinc/52/43/30/589524330.db2.gz ODEFFCYANXUCCL-HOTGVXAUSA-N 1 3 330.432 0.865 20 0 ECADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852907645 589524332 /nfs/dbraw/zinc/52/43/32/589524332.db2.gz ODEFFCYANXUCCL-HOTGVXAUSA-N 1 3 330.432 0.865 20 0 ECADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000852906381 589524475 /nfs/dbraw/zinc/52/44/75/589524475.db2.gz CIMHKRGCUZANJA-ZOBUZTSGSA-N 1 3 346.431 0.751 20 0 ECADHO C[NH+]1CCC(NC(=S)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000853030033 589529617 /nfs/dbraw/zinc/52/96/17/589529617.db2.gz RYGYADDILWOTOQ-OAHLLOKOSA-N 1 3 326.510 0.798 20 0 ECADHO C[C@H]1CC[N@H+](CCNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000866270928 589731232 /nfs/dbraw/zinc/73/12/32/589731232.db2.gz YHLINYDTQNRGSP-KBPBESRZSA-N 1 3 342.484 0.899 20 0 ECADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000866270928 589731234 /nfs/dbraw/zinc/73/12/34/589731234.db2.gz YHLINYDTQNRGSP-KBPBESRZSA-N 1 3 342.484 0.899 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867443597 589786304 /nfs/dbraw/zinc/78/63/04/589786304.db2.gz LDEYYPFOKKPMPV-JKSUJKDBSA-N 1 3 336.480 0.339 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867443597 589786306 /nfs/dbraw/zinc/78/63/06/589786306.db2.gz LDEYYPFOKKPMPV-JKSUJKDBSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867515355 589797693 /nfs/dbraw/zinc/79/76/93/589797693.db2.gz KDEUDBHFMONRJQ-LVQVYYBASA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867515355 589797695 /nfs/dbraw/zinc/79/76/95/589797695.db2.gz KDEUDBHFMONRJQ-LVQVYYBASA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000861769064 589889991 /nfs/dbraw/zinc/88/99/91/589889991.db2.gz DBYJXIZEKWFLGL-AWEZNQCLSA-N 1 3 332.448 0.573 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)CC[C@@H]21 ZINC000868309590 589891354 /nfs/dbraw/zinc/89/13/54/589891354.db2.gz LWVDBXDPHBJOGM-YOEHRIQHSA-N 1 3 342.443 0.823 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)CC[C@@H]21 ZINC000868309590 589891355 /nfs/dbraw/zinc/89/13/55/589891355.db2.gz LWVDBXDPHBJOGM-YOEHRIQHSA-N 1 3 342.443 0.823 20 0 ECADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cn1 ZINC000861914855 589904425 /nfs/dbraw/zinc/90/44/25/589904425.db2.gz XHFGHFDZBBVXGN-MTSZKFMLSA-N 1 3 331.464 0.474 20 0 ECADHO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000863558248 590023585 /nfs/dbraw/zinc/02/35/85/590023585.db2.gz YYJNWMRPMOLHDM-CABCVRRESA-N 1 3 343.468 0.669 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(CC)C(N)=O)CC2)CC1 ZINC000888546102 590043415 /nfs/dbraw/zinc/04/34/15/590043415.db2.gz JIQTXASCSMEVOM-GOSISDBHSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C2 ZINC000872187835 590100798 /nfs/dbraw/zinc/10/07/98/590100798.db2.gz KEKATQWACMQXGA-RLFYNMQTSA-N 1 3 334.464 0.141 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NCc3cn(C[C@H]4CCCO4)nn3)C2)CC1 ZINC000865460163 590146709 /nfs/dbraw/zinc/14/67/09/590146709.db2.gz HFDNLGXXBLOZSR-CRAIPNDOSA-N 1 3 348.495 0.715 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NCc3cn(C[C@H]4CCCO4)nn3)C2)CC1 ZINC000865460163 590146710 /nfs/dbraw/zinc/14/67/10/590146710.db2.gz HFDNLGXXBLOZSR-CRAIPNDOSA-N 1 3 348.495 0.715 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1(C)C ZINC000875225608 590284198 /nfs/dbraw/zinc/28/41/98/590284198.db2.gz PEVBKOPIKUYXCA-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CN1C1CC1 ZINC000875329770 590293725 /nfs/dbraw/zinc/29/37/25/590293725.db2.gz SJIIHGWFUUMRQF-UONOGXRCSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CN1C1CC1 ZINC000875329770 590293726 /nfs/dbraw/zinc/29/37/26/590293726.db2.gz SJIIHGWFUUMRQF-UONOGXRCSA-N 1 3 336.480 0.671 20 0 ECADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN(C)C[C@@H]1CN ZINC000876542832 590385850 /nfs/dbraw/zinc/38/58/50/590385850.db2.gz WMHVKZHJJDXXBP-ZDUSSCGKSA-N 1 3 337.493 0.633 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000876719545 590403403 /nfs/dbraw/zinc/40/34/03/590403403.db2.gz NZXBOEDQMDPMER-HLLBOEOZSA-N 1 3 325.453 0.513 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876748504 590408873 /nfs/dbraw/zinc/40/88/73/590408873.db2.gz DJCLMYQJVDRWPB-FHQWLQQXSA-N 1 3 336.480 0.601 20 0 ECADHO CCN1CCN(CCNC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781977 590414739 /nfs/dbraw/zinc/41/47/39/590414739.db2.gz TZSGREDIGTYXEQ-MRXNPFEDSA-N 1 3 348.495 0.483 20 0 ECADHO CN(C)CCn1cc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cn1 ZINC000876801183 590416567 /nfs/dbraw/zinc/41/65/67/590416567.db2.gz XSIMCUOUMBBHML-UHFFFAOYSA-N 1 3 331.424 0.818 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C(=O)c1[nH]nc2c1CNCC2 ZINC000877133250 590439635 /nfs/dbraw/zinc/43/96/35/590439635.db2.gz ZDUCNIPSTOVWQH-UHFFFAOYSA-N 1 3 335.452 0.486 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000877134595 590440273 /nfs/dbraw/zinc/44/02/73/590440273.db2.gz VCNXQAQAKVKOMZ-FVQBIDKESA-N 1 3 330.432 0.974 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000877134595 590440275 /nfs/dbraw/zinc/44/02/75/590440275.db2.gz VCNXQAQAKVKOMZ-FVQBIDKESA-N 1 3 330.432 0.974 20 0 ECADHO NC1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)Cc2ccccc2C1 ZINC000877335694 590458610 /nfs/dbraw/zinc/45/86/10/590458610.db2.gz DPVABHIWPWRMNL-MRXNPFEDSA-N 1 3 329.444 0.758 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000877339716 590458973 /nfs/dbraw/zinc/45/89/73/590458973.db2.gz GIOCTKZZSIWRCN-GJZGRUSLSA-N 1 3 325.416 0.931 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](CCc2ccc(C(N)=O)cc2)CC1 ZINC000878230124 590508544 /nfs/dbraw/zinc/50/85/44/590508544.db2.gz DFZQJGBTEWYGMG-UHFFFAOYSA-N 1 3 346.475 0.718 20 0 ECADHO C[C@H]1COCCN1C1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878634626 590532199 /nfs/dbraw/zinc/53/21/99/590532199.db2.gz BSBYHIBJUSZKSN-HNNXBMFYSA-N 1 3 338.496 0.382 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c2c(nn1C)CCSC2 ZINC000878969533 590554767 /nfs/dbraw/zinc/55/47/67/590554767.db2.gz VNRLYKJWGBYXCA-UHFFFAOYSA-N 1 3 339.509 0.775 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1Cl ZINC000130574521 590599320 /nfs/dbraw/zinc/59/93/20/590599320.db2.gz GASMDEPJEVVDNF-UHFFFAOYSA-N 1 3 341.843 0.625 20 0 ECADHO C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CCN1c1ccncc1 ZINC000883639210 590637412 /nfs/dbraw/zinc/63/74/12/590637412.db2.gz JHNKZGXGZCMWIB-HNNXBMFYSA-N 1 3 335.452 0.880 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884875303 590638867 /nfs/dbraw/zinc/63/88/67/590638867.db2.gz ATYGOYLLCKXLHM-KBPBESRZSA-N 1 3 338.496 0.870 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884889425 590643514 /nfs/dbraw/zinc/64/35/14/590643514.db2.gz GLBFKPQCAUFAJW-SJORKVTESA-N 1 3 346.475 0.663 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000884486203 590840981 /nfs/dbraw/zinc/84/09/81/590840981.db2.gz QMLWIXMQLZXZAT-DZGCQCFKSA-N 1 3 348.447 0.191 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)CCC1 ZINC000884529281 590851257 /nfs/dbraw/zinc/85/12/57/590851257.db2.gz KORDUFSORZGAPT-MRXNPFEDSA-N 1 3 344.459 0.418 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)CN1C1CC1 ZINC000884554423 590856641 /nfs/dbraw/zinc/85/66/41/590856641.db2.gz UDGRDSVCLNSBDG-KBPBESRZSA-N 1 3 334.464 0.472 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000884576229 590861745 /nfs/dbraw/zinc/86/17/45/590861745.db2.gz CFENMSDABVNOFV-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884576101 590861759 /nfs/dbraw/zinc/86/17/59/590861759.db2.gz AAOKBTZJTALDHG-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884576724 590861798 /nfs/dbraw/zinc/86/17/98/590861798.db2.gz OUFOZVLDQSYQFI-LVQVYYBASA-N 1 3 336.480 0.481 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884631371 590878661 /nfs/dbraw/zinc/87/86/61/590878661.db2.gz HYENXRWIZWXLAN-VQIMIIECSA-N 1 3 348.491 0.579 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC[C@@H]21 ZINC000884690514 590897655 /nfs/dbraw/zinc/89/76/55/590897655.db2.gz CFWURNHUVOZUNI-OAGGEKHMSA-N 1 3 330.432 0.355 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC[C@@H]21 ZINC000884690514 590897658 /nfs/dbraw/zinc/89/76/58/590897658.db2.gz CFWURNHUVOZUNI-OAGGEKHMSA-N 1 3 330.432 0.355 20 0 ECADHO O=S(=O)(CCCN1CCCC1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886899176 590904451 /nfs/dbraw/zinc/90/44/51/590904451.db2.gz DJMXLOCQSZHDBG-LBPRGKRZSA-N 1 3 325.425 0.637 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CCN1c1ccncc1 ZINC000884715664 590906350 /nfs/dbraw/zinc/90/63/50/590906350.db2.gz AMPQGHLRQQBDHX-GJZGRUSLSA-N 1 3 345.447 0.377 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884720324 590908536 /nfs/dbraw/zinc/90/85/36/590908536.db2.gz KVPXJYHLEHJCKU-LSDHHAIUSA-N 1 3 347.463 0.752 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884720140 590908748 /nfs/dbraw/zinc/90/87/48/590908748.db2.gz GWADOSOTBQADOM-FMKPAKJESA-N 1 3 345.447 0.233 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884720920 590908806 /nfs/dbraw/zinc/90/88/06/590908806.db2.gz WSOOEWLHHHDMTA-FMKPAKJESA-N 1 3 345.447 0.233 20 0 ECADHO O=C(C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000887081318 590939697 /nfs/dbraw/zinc/93/96/97/590939697.db2.gz QIECOGKKCFENFC-QFBILLFUSA-N 1 3 348.491 0.675 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887081718 590940276 /nfs/dbraw/zinc/94/02/76/590940276.db2.gz YZSXYVJPAQZTJH-SFHVURJKSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000887093440 590942920 /nfs/dbraw/zinc/94/29/20/590942920.db2.gz KXISRGQDHMOENV-RBSFLKMASA-N 1 3 345.447 0.172 20 0 ECADHO COC(=O)[C@@H](F)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000888014567 591027841 /nfs/dbraw/zinc/02/78/41/591027841.db2.gz KLFYAUDMYPEHEM-AWEZNQCLSA-N 1 3 344.431 0.355 20 0 ECADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889743758 591075813 /nfs/dbraw/zinc/07/58/13/591075813.db2.gz IEHHVBPIHJXCCU-IRXDYDNUSA-N 1 3 337.464 0.155 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2CC1)C1CC1 ZINC000946623180 611370696 /nfs/dbraw/zinc/37/06/96/611370696.db2.gz FXHOAOYNLNRPPZ-YVSFHVDLSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1)C1CC1 ZINC000946623180 611370700 /nfs/dbraw/zinc/37/07/00/611370700.db2.gz FXHOAOYNLNRPPZ-YVSFHVDLSA-N 1 3 348.491 0.386 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642688 611383274 /nfs/dbraw/zinc/38/32/74/611383274.db2.gz PQHUTZGZSNCXCM-YVSFHVDLSA-N 1 3 348.491 0.659 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642688 611383277 /nfs/dbraw/zinc/38/32/77/611383277.db2.gz PQHUTZGZSNCXCM-YVSFHVDLSA-N 1 3 348.491 0.659 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000930114628 611392446 /nfs/dbraw/zinc/39/24/46/611392446.db2.gz OMZPBWRYWBZWKH-QGZVFWFLSA-N 1 3 348.495 0.523 20 0 ECADHO C[NH+](C)[C@]1(CN2C(=O)N[C@H](CN3CCCCC3)C2=O)CCSC1 ZINC000924484339 611407488 /nfs/dbraw/zinc/40/74/88/611407488.db2.gz WXUYKOWUVBSODL-CJNGLKHVSA-N 1 3 340.493 0.830 20 0 ECADHO COCC[N@@H+]1CCC[C@@H]1CN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924583129 611416280 /nfs/dbraw/zinc/41/62/80/611416280.db2.gz XHCOCYJCHFUKKZ-CABCVRRESA-N 1 3 338.452 0.504 20 0 ECADHO COCC[N@H+]1CCC[C@@H]1CN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924583129 611416282 /nfs/dbraw/zinc/41/62/82/611416282.db2.gz XHCOCYJCHFUKKZ-CABCVRRESA-N 1 3 338.452 0.504 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697005 611418948 /nfs/dbraw/zinc/41/89/48/611418948.db2.gz KJCYLOSGUGEKJN-SOLBZPMBSA-N 1 3 348.491 0.517 20 0 ECADHO CC(C)OCC[NH+]1CCC(N2C(=O)N[C@@H](CN(C)C)C2=O)CC1 ZINC000924761490 611428567 /nfs/dbraw/zinc/42/85/67/611428567.db2.gz VSYOJZOQBZPTTI-AWEZNQCLSA-N 1 3 326.441 0.358 20 0 ECADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924855104 611435608 /nfs/dbraw/zinc/43/56/08/611435608.db2.gz VINBUMQFPFTDJD-QWHCGFSZSA-N 1 3 341.477 0.936 20 0 ECADHO CC1(C)[C@H](N[C@H]2CCN(CCN3CCOCC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925498759 611485687 /nfs/dbraw/zinc/48/56/87/611485687.db2.gz SDTNBXUAMMLOFQ-XWTMOSNGSA-N 1 3 336.524 0.759 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926345983 611538973 /nfs/dbraw/zinc/53/89/73/611538973.db2.gz HYKCQWGGTFQWKB-CQSZACIVSA-N 1 3 336.436 0.367 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000926358844 611541240 /nfs/dbraw/zinc/54/12/40/611541240.db2.gz AUWGCDPQDKOZTJ-JONQDZQNSA-N 1 3 336.480 0.515 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1)C1CC1 ZINC000947072398 611576039 /nfs/dbraw/zinc/57/60/39/611576039.db2.gz DBQHGBYJZQMKHK-INIZCTEOSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000948413939 611580652 /nfs/dbraw/zinc/58/06/52/611580652.db2.gz RNWBFKHPYGHNBY-OAHLLOKOSA-N 1 3 348.491 0.531 20 0 ECADHO Cc1cccc(NCCNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)n1 ZINC000927484431 611606426 /nfs/dbraw/zinc/60/64/26/611606426.db2.gz VBQIWUJBTBAJOG-HUUCEWRRSA-N 1 3 335.452 0.898 20 0 ECADHO Cc1cccc(NCCNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)n1 ZINC000927484431 611606427 /nfs/dbraw/zinc/60/64/27/611606427.db2.gz VBQIWUJBTBAJOG-HUUCEWRRSA-N 1 3 335.452 0.898 20 0 ECADHO COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927648492 611624802 /nfs/dbraw/zinc/62/48/02/611624802.db2.gz MIRUXEQLGGBLSP-INIZCTEOSA-N 1 3 342.484 0.459 20 0 ECADHO CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCCN(CC(N)=O)CC1 ZINC000948595490 611665119 /nfs/dbraw/zinc/66/51/19/611665119.db2.gz ZTCAMXNFMCOAAW-AWEZNQCLSA-N 1 3 329.404 0.746 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000938007651 609456949 /nfs/dbraw/zinc/45/69/49/609456949.db2.gz IXPRYWHFJHALOO-XHSDSOJGSA-N 1 3 336.480 0.386 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)N2CCC[C@H](N3CCOCC3)CC2)C1 ZINC000907991818 609634544 /nfs/dbraw/zinc/63/45/44/609634544.db2.gz STKMSZKVHHHMNQ-KRWDZBQOSA-N 1 3 338.496 0.193 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@H](N3CCOCC3)CC2)C1 ZINC000907991818 609634545 /nfs/dbraw/zinc/63/45/45/609634545.db2.gz STKMSZKVHHHMNQ-KRWDZBQOSA-N 1 3 338.496 0.193 20 0 ECADHO CN1CCC(NC(=S)NCCC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000920309486 609679493 /nfs/dbraw/zinc/67/94/93/609679493.db2.gz FQUSIUGXESMCAA-UHFFFAOYSA-N 1 3 341.525 0.132 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC2CN(C)C2)CCN1c1cc[nH+]cc1 ZINC000910774284 609761848 /nfs/dbraw/zinc/76/18/48/609761848.db2.gz IVSCLVMFIKMLGP-CQSZACIVSA-N 1 3 345.447 0.139 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3nc[nH]c3C)C2)CC[N@@H+]1C ZINC000938388716 609770054 /nfs/dbraw/zinc/77/00/54/609770054.db2.gz JYKVNRYSIMRNIQ-OFQRWUPVSA-N 1 3 347.463 0.708 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3nc[nH]c3C)C2)CC[N@H+]1C ZINC000938388716 609770056 /nfs/dbraw/zinc/77/00/56/609770056.db2.gz JYKVNRYSIMRNIQ-OFQRWUPVSA-N 1 3 347.463 0.708 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@H]1C[NH3+] ZINC000910958752 609782908 /nfs/dbraw/zinc/78/29/08/609782908.db2.gz PAVZIKQLNPCOOC-GJZGRUSLSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+])N1CCCCC1 ZINC000910947377 609785238 /nfs/dbraw/zinc/78/52/38/609785238.db2.gz WVKSZOPWJUVFLG-RVKKMQEKSA-N 1 3 336.480 0.707 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911054945 609795569 /nfs/dbraw/zinc/79/55/69/609795569.db2.gz LQIRHTHTNVAJIQ-XHSDSOJGSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(NC12CCN(CC1)C2)C1(C(=O)NC23CC[NH+](CC2)C3)CCC1 ZINC000913631582 609805582 /nfs/dbraw/zinc/80/55/82/609805582.db2.gz SRWJHWHGILMXFO-UHFFFAOYSA-N 1 3 332.448 0.086 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000911089388 609807566 /nfs/dbraw/zinc/80/75/66/609807566.db2.gz BMDFZOCDDXNVNS-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911163322 609818142 /nfs/dbraw/zinc/81/81/42/609818142.db2.gz VZSWAUQSBJJAIT-HDMKZQKVSA-N 1 3 336.480 0.625 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000911206410 609825292 /nfs/dbraw/zinc/82/52/92/609825292.db2.gz DWVYIUMTGMWRCV-IIDMSEBBSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000911222280 609829064 /nfs/dbraw/zinc/82/90/64/609829064.db2.gz BYZNWZVVLNKRQB-HDMKZQKVSA-N 1 3 334.464 0.317 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000911269557 609834496 /nfs/dbraw/zinc/83/44/96/609834496.db2.gz LRGVHRHUBRMOHE-QBPKDAKJSA-N 1 3 342.443 0.470 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000911269557 609834499 /nfs/dbraw/zinc/83/44/99/609834499.db2.gz LRGVHRHUBRMOHE-QBPKDAKJSA-N 1 3 342.443 0.470 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@H]1CC[NH3+] ZINC000911257324 609837685 /nfs/dbraw/zinc/83/76/85/609837685.db2.gz GQFANZJSBOANDV-RBSFLKMASA-N 1 3 338.496 0.666 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)C[C@]2(C)C1 ZINC000911282815 609846120 /nfs/dbraw/zinc/84/61/20/609846120.db2.gz BMCGJEJZWBMBKT-VKJFTORMSA-N 1 3 330.432 0.213 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)C[C@]2(C)C1 ZINC000911282815 609846122 /nfs/dbraw/zinc/84/61/22/609846122.db2.gz BMCGJEJZWBMBKT-VKJFTORMSA-N 1 3 330.432 0.213 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000911373736 609863871 /nfs/dbraw/zinc/86/38/71/609863871.db2.gz JDFBTKWZWVEYOJ-HYVNUMGLSA-N 1 3 344.459 0.443 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911517322 609890058 /nfs/dbraw/zinc/89/00/58/609890058.db2.gz RZHPIELUBAHFTF-NUEKZKHPSA-N 1 3 330.432 0.280 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@H]21 ZINC000911520286 609890960 /nfs/dbraw/zinc/89/09/60/609890960.db2.gz NGWSEFUAXGHIPE-MWQQHZPXSA-N 1 3 342.443 0.280 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@H]21 ZINC000911520286 609890962 /nfs/dbraw/zinc/89/09/62/609890962.db2.gz NGWSEFUAXGHIPE-MWQQHZPXSA-N 1 3 342.443 0.280 20 0 ECADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000911549835 609893255 /nfs/dbraw/zinc/89/32/55/609893255.db2.gz QLIHDZDJHHFWOW-VNQPRFMTSA-N 1 3 334.464 0.472 20 0 ECADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000911542190 609897089 /nfs/dbraw/zinc/89/70/89/609897089.db2.gz MENVBHLHZMFTBG-ZJIFWQFVSA-N 1 3 334.464 0.472 20 0 ECADHO CCN1CCN([C@H](C)CNC(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000916002268 609928683 /nfs/dbraw/zinc/92/86/83/609928683.db2.gz FWVVDVQVTWWXQL-CVEARBPZSA-N 1 3 341.569 0.961 20 0 ECADHO CCN1CCN([C@H](C)CNC(=S)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000916002268 609928685 /nfs/dbraw/zinc/92/86/85/609928685.db2.gz FWVVDVQVTWWXQL-CVEARBPZSA-N 1 3 341.569 0.961 20 0 ECADHO CC[C@H](C(=O)N1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000947255775 610035644 /nfs/dbraw/zinc/03/56/44/610035644.db2.gz ZTIZACVIFNHPGS-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000947255775 610035646 /nfs/dbraw/zinc/03/56/46/610035646.db2.gz ZTIZACVIFNHPGS-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000938917996 610044408 /nfs/dbraw/zinc/04/44/08/610044408.db2.gz MPOBPXCMUAYFHW-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000940512668 610293863 /nfs/dbraw/zinc/29/38/63/610293863.db2.gz IXXNQDFXIDSQMU-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000940512668 610293864 /nfs/dbraw/zinc/29/38/64/610293864.db2.gz IXXNQDFXIDSQMU-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000941490562 610340046 /nfs/dbraw/zinc/34/00/46/610340046.db2.gz YGUTUQMQFRNJED-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000941490562 610340047 /nfs/dbraw/zinc/34/00/47/610340047.db2.gz YGUTUQMQFRNJED-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CNC(=O)CN1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942289035 610381437 /nfs/dbraw/zinc/38/14/37/610381437.db2.gz USFYSMRJVFPOGR-DOMZBBRYSA-N 1 3 329.404 0.521 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941566981 610387238 /nfs/dbraw/zinc/38/72/38/610387238.db2.gz NMMWBTDRBRGOMU-YJBOKZPZSA-N 1 3 334.508 0.813 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941566981 610387241 /nfs/dbraw/zinc/38/72/41/610387241.db2.gz NMMWBTDRBRGOMU-YJBOKZPZSA-N 1 3 334.508 0.813 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000941634718 610420449 /nfs/dbraw/zinc/42/04/49/610420449.db2.gz GNTGTTIGRSMEIZ-BRWVUGGUSA-N 1 3 348.491 0.672 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000940952012 610445103 /nfs/dbraw/zinc/44/51/03/610445103.db2.gz IHVKUPLKOJRYCL-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000940952012 610445106 /nfs/dbraw/zinc/44/51/06/610445106.db2.gz IHVKUPLKOJRYCL-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(CCn3cncn3)CC2(C)C)CC1 ZINC000940992411 610485529 /nfs/dbraw/zinc/48/55/29/610485529.db2.gz CJBHLASUHHCYAF-INIZCTEOSA-N 1 3 348.495 0.837 20 0 ECADHO C[C@@H]1CN(CCn2cncn2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943288289 610781655 /nfs/dbraw/zinc/78/16/55/610781655.db2.gz MLVNJHINYAYONJ-WBVHZDCISA-N 1 3 348.495 0.837 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000943385465 610830806 /nfs/dbraw/zinc/83/08/06/610830806.db2.gz UTYKOLRFKRAIJL-CQSZACIVSA-N 1 3 345.447 0.545 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000923516851 611253657 /nfs/dbraw/zinc/25/36/57/611253657.db2.gz VUHRGKWBZXVTBT-RCCFBDPRSA-N 1 3 330.476 0.947 20 0 ECADHO CN(C)C1(CS(=O)(=O)NCCCCC[NH+]2CCNCC2)CC1 ZINC000923680219 611341724 /nfs/dbraw/zinc/34/17/24/611341724.db2.gz UJHGJTWBDPMLKN-UHFFFAOYSA-N 1 3 332.514 0.076 20 0 ECADHO C[C@H](O)C[NH+]1CCC2(CC1)CN(C(=O)CN1CC[C@H](C)C1)CCO2 ZINC000949189418 611894284 /nfs/dbraw/zinc/89/42/84/611894284.db2.gz UVBLNHKHDFXANT-HOTGVXAUSA-N 1 3 339.480 0.402 20 0 ECADHO C[C@H](O)C[NH+]1CCC2(CC1)CN(C(=O)CN1CCC[C@H]1C)CCO2 ZINC000949189104 611894357 /nfs/dbraw/zinc/89/43/57/611894357.db2.gz HQCJGMIWGJIMMV-CVEARBPZSA-N 1 3 339.480 0.545 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000950863499 611952550 /nfs/dbraw/zinc/95/25/50/611952550.db2.gz XTKOTXVLFJZTLE-KBPBESRZSA-N 1 3 333.436 0.320 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000950863499 611952552 /nfs/dbraw/zinc/95/25/52/611952552.db2.gz XTKOTXVLFJZTLE-KBPBESRZSA-N 1 3 333.436 0.320 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000949568551 612033078 /nfs/dbraw/zinc/03/30/78/612033078.db2.gz KMQSQZZSBKUCQB-UHFFFAOYSA-N 1 3 345.447 0.403 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)CN2CCC[C@H]2C)C1)[NH+](C)C ZINC000955340619 612462288 /nfs/dbraw/zinc/46/22/88/612462288.db2.gz PQBGBKWNMGBRET-RHSMWYFYSA-N 1 3 338.496 0.726 20 0 ECADHO CN(CC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC000956063985 612668253 /nfs/dbraw/zinc/66/82/53/612668253.db2.gz COTQMDRKGNXWPF-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000956063985 612668256 /nfs/dbraw/zinc/66/82/56/612668256.db2.gz COTQMDRKGNXWPF-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954815642 612709219 /nfs/dbraw/zinc/70/92/19/612709219.db2.gz UTNVMZAEOLVHHL-GOSISDBHSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000954847459 612741708 /nfs/dbraw/zinc/74/17/08/612741708.db2.gz WZGNAKYRDJAICU-OAHLLOKOSA-N 1 3 336.480 0.338 20 0 ECADHO CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954284662 612822751 /nfs/dbraw/zinc/82/27/51/612822751.db2.gz HXVZAASLXBJIKO-HIFRSBDPSA-N 1 3 345.447 0.496 20 0 ECADHO CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954284662 612822753 /nfs/dbraw/zinc/82/27/53/612822753.db2.gz HXVZAASLXBJIKO-HIFRSBDPSA-N 1 3 345.447 0.496 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000954325021 612856058 /nfs/dbraw/zinc/85/60/58/612856058.db2.gz VJXMRVHJBYMYNG-INIZCTEOSA-N 1 3 334.464 0.093 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000954326031 612857601 /nfs/dbraw/zinc/85/76/01/612857601.db2.gz MYSVXGHJJXQMOG-SFHVURJKSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000954353698 612872571 /nfs/dbraw/zinc/87/25/71/612872571.db2.gz AXUNTSQKVUVDFK-RHSMWYFYSA-N 1 3 348.491 0.339 20 0 ECADHO CN([C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)[C@H]1CCN(C)C1=O ZINC000971873030 735291521 /nfs/dbraw/zinc/29/15/21/735291521.db2.gz SVMRCUHCBMRBEK-HOCLYGCPSA-N 1 3 341.415 0.711 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1CNCc1cnnn1C)[NH+](C)C ZINC001024991475 738466455 /nfs/dbraw/zinc/46/64/55/738466455.db2.gz DKHKWKWZBFDBGQ-HOCLYGCPSA-N 1 3 336.484 0.872 20 0 ECADHO CC(C)N1CC[C@H](N[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000969199929 731588293 /nfs/dbraw/zinc/58/82/93/731588293.db2.gz IQOWDHUBCCEKGC-CVEARBPZSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1CN(CCCF)C1 ZINC000969686479 732047949 /nfs/dbraw/zinc/04/79/49/732047949.db2.gz FEQDNMVMPYISMF-CYBMUJFWSA-N 1 3 325.432 0.854 20 0 ECADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1CNCc1cnnn1C)[NH+](C)C ZINC001025073309 738599916 /nfs/dbraw/zinc/59/99/16/738599916.db2.gz DKHKWKWZBFDBGQ-GOEBONIOSA-N 1 3 336.484 0.872 20 0 ECADHO CCn1cc(CC[NH2+][C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cn1 ZINC000969954169 732554744 /nfs/dbraw/zinc/55/47/44/732554744.db2.gz APNNBAFNYBITRN-NVXWUHKLSA-N 1 3 333.480 0.978 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1CNCc1cnnn1C ZINC001025084813 738621293 /nfs/dbraw/zinc/62/12/93/738621293.db2.gz IKFPJDUKPYLINR-LSDHHAIUSA-N 1 3 334.468 0.770 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1CNCc1cnnn1C ZINC001025084813 738621295 /nfs/dbraw/zinc/62/12/95/738621295.db2.gz IKFPJDUKPYLINR-LSDHHAIUSA-N 1 3 334.468 0.770 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1)N(C)C ZINC000969985930 732588679 /nfs/dbraw/zinc/58/86/79/732588679.db2.gz OSORWNNCLRMUDX-KFWWJZLASA-N 1 3 345.509 0.342 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCN2CCNC2=O)CC1)N(C)C ZINC001167260925 733105148 /nfs/dbraw/zinc/10/51/48/733105148.db2.gz QLBKLJMDHBUFEW-AWEZNQCLSA-N 1 3 339.484 0.228 20 0 ECADHO Cc1nc(CN[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000970383810 733452516 /nfs/dbraw/zinc/45/25/16/733452516.db2.gz YOVKAGRDGJZBJW-OAHLLOKOSA-N 1 3 334.468 0.924 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCCC3)C2)C1 ZINC000970711217 733858391 /nfs/dbraw/zinc/85/83/91/733858391.db2.gz CMTLUXSCFDDTCL-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCCC3)C2)C1 ZINC000970711217 733858396 /nfs/dbraw/zinc/85/83/96/733858396.db2.gz CMTLUXSCFDDTCL-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO Cn1nnc2cc(C[NH2+][C@@H]3CCN(C(=O)CN4CCCC4)C3)ccc21 ZINC000970719615 733871752 /nfs/dbraw/zinc/87/17/52/733871752.db2.gz JLUGTQMKLLLKOO-OAHLLOKOSA-N 1 3 342.447 0.755 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000970800759 733952235 /nfs/dbraw/zinc/95/22/35/733952235.db2.gz SXAXJNOFCLWLER-CABCVRRESA-N 1 3 337.468 0.077 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104292259 734008742 /nfs/dbraw/zinc/00/87/42/734008742.db2.gz RDOWBUQNABJLRY-DJIMGWMZSA-N 1 3 348.495 0.693 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001104322600 734301368 /nfs/dbraw/zinc/30/13/68/734301368.db2.gz TVWQMGLWACBZKI-INMHGKMJSA-N 1 3 340.512 0.735 20 0 ECADHO Cc1cccc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174290 782426283 /nfs/dbraw/zinc/42/62/83/782426283.db2.gz HNPLKPYPUPPEOF-CGTJXYLNSA-N 1 3 331.460 0.916 20 0 ECADHO Cc1cccc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174290 782426289 /nfs/dbraw/zinc/42/62/89/782426289.db2.gz HNPLKPYPUPPEOF-CGTJXYLNSA-N 1 3 331.460 0.916 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078174429 782427804 /nfs/dbraw/zinc/42/78/04/782427804.db2.gz KYVYDVNNPHHIIX-BRWVUGGUSA-N 1 3 339.480 0.306 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078174429 782427809 /nfs/dbraw/zinc/42/78/09/782427809.db2.gz KYVYDVNNPHHIIX-BRWVUGGUSA-N 1 3 339.480 0.306 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001104363028 734723020 /nfs/dbraw/zinc/72/30/20/734723020.db2.gz VQCTZNKGRVGXHR-QLFBSQMISA-N 1 3 340.512 0.925 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)NCC2CC2)CC1 ZINC001167480887 734825571 /nfs/dbraw/zinc/82/55/71/734825571.db2.gz VUZPVZYECHFZPZ-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971640364 734864071 /nfs/dbraw/zinc/86/40/71/734864071.db2.gz DZMVXDRBENPMMN-JKSUJKDBSA-N 1 3 334.468 0.685 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971640364 734864073 /nfs/dbraw/zinc/86/40/73/734864073.db2.gz DZMVXDRBENPMMN-JKSUJKDBSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCn1cncn1 ZINC000947497353 735691610 /nfs/dbraw/zinc/69/16/10/735691610.db2.gz HVXYEUJVCJHHGY-HOTGVXAUSA-N 1 3 346.479 0.876 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)CCN3CCCC3=O)C2)C1 ZINC000972334515 735959977 /nfs/dbraw/zinc/95/99/77/735959977.db2.gz HYDCUDIUBQWWFJ-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)CCN3CCCC3=O)C2)C1 ZINC000972334515 735959983 /nfs/dbraw/zinc/95/99/83/735959983.db2.gz HYDCUDIUBQWWFJ-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022973704 736347147 /nfs/dbraw/zinc/34/71/47/736347147.db2.gz VIFZQXQVNXKMGG-KFWWJZLASA-N 1 3 334.468 0.685 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022973704 736347151 /nfs/dbraw/zinc/34/71/51/736347151.db2.gz VIFZQXQVNXKMGG-KFWWJZLASA-N 1 3 334.468 0.685 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001023025162 736405841 /nfs/dbraw/zinc/40/58/41/736405841.db2.gz YDYWVJOBZDNIIJ-XQQFMLRXSA-N 1 3 329.408 0.276 20 0 ECADHO COc1ncc(CNC2CC(CNC(=O)CC[NH+](C)C)C2)c(C)n1 ZINC001100637057 736901379 /nfs/dbraw/zinc/90/13/79/736901379.db2.gz ZULSNJIYIVAUBT-UHFFFAOYSA-N 1 3 335.452 0.730 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN([C@@H]3CCCNC3=O)C2)CC1 ZINC001023569718 737022891 /nfs/dbraw/zinc/02/28/91/737022891.db2.gz QJGXGFBNQRKSMK-GDBMZVCRSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(N1CC[C@@]2(C1)CN(C[C@H]1CCOC1)CCO2)C12CC[NH+](CC1)C2 ZINC000972640916 737205267 /nfs/dbraw/zinc/20/52/67/737205267.db2.gz OVDNFHPHBSKAQK-APWZRJJASA-N 1 3 349.475 0.422 20 0 ECADHO C[C@H](C(N)=O)N1CCC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706994 737223912 /nfs/dbraw/zinc/22/39/12/737223912.db2.gz GBGDPIXQBGVDHI-OLZOCXBDSA-N 1 3 333.436 0.463 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706994 737223914 /nfs/dbraw/zinc/22/39/14/737223914.db2.gz GBGDPIXQBGVDHI-OLZOCXBDSA-N 1 3 333.436 0.463 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706994 737223916 /nfs/dbraw/zinc/22/39/16/737223916.db2.gz GBGDPIXQBGVDHI-OLZOCXBDSA-N 1 3 333.436 0.463 20 0 ECADHO CN(CCCN(C)C(=O)CN1CCCC1)C(=O)CCC[NH+](C)C ZINC001067465801 737411743 /nfs/dbraw/zinc/41/17/43/737411743.db2.gz MHSZUYJBMCCIAU-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001024016372 737615976 /nfs/dbraw/zinc/61/59/76/737615976.db2.gz DPHOQFJWSZOLJT-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001024018884 737623705 /nfs/dbraw/zinc/62/37/05/737623705.db2.gz SWKOGTXQSOHYKE-YOEHRIQHSA-N 1 3 348.495 0.966 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)n1 ZINC001087261044 737673711 /nfs/dbraw/zinc/67/37/11/737673711.db2.gz PWQAGQBFGAVGCL-UONOGXRCSA-N 1 3 333.436 0.925 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)n1 ZINC001087261044 737673713 /nfs/dbraw/zinc/67/37/13/737673713.db2.gz PWQAGQBFGAVGCL-UONOGXRCSA-N 1 3 333.436 0.925 20 0 ECADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001024136183 737746645 /nfs/dbraw/zinc/74/66/45/737746645.db2.gz VIMYDGZSQUUMPY-CQSZACIVSA-N 1 3 334.468 0.783 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001024155932 737782488 /nfs/dbraw/zinc/78/24/88/737782488.db2.gz DXJFYOSYSXBICT-GJZGRUSLSA-N 1 3 336.480 0.435 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001024155933 737782720 /nfs/dbraw/zinc/78/27/20/737782720.db2.gz DXJFYOSYSXBICT-HUUCEWRRSA-N 1 3 336.480 0.435 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025809049 739977076 /nfs/dbraw/zinc/97/70/76/739977076.db2.gz VCNYNSIHZUBELB-JJTUDDRGSA-N 1 3 348.491 0.528 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025809049 739977081 /nfs/dbraw/zinc/97/70/81/739977081.db2.gz VCNYNSIHZUBELB-JJTUDDRGSA-N 1 3 348.491 0.528 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001025813359 739985470 /nfs/dbraw/zinc/98/54/70/739985470.db2.gz GCRDXNSNURTECH-DMRKSPOLSA-N 1 3 346.475 0.328 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001025813359 739985473 /nfs/dbraw/zinc/98/54/73/739985473.db2.gz GCRDXNSNURTECH-DMRKSPOLSA-N 1 3 346.475 0.328 20 0 ECADHO C[C@@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908657 740216148 /nfs/dbraw/zinc/21/61/48/740216148.db2.gz QALYSFQLXAOABC-YEPCUASBSA-N 1 3 337.439 0.644 20 0 ECADHO C[C@@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908657 740216151 /nfs/dbraw/zinc/21/61/51/740216151.db2.gz QALYSFQLXAOABC-YEPCUASBSA-N 1 3 337.439 0.644 20 0 ECADHO CC(C)(C(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(N)=O)[C@H]2C1)N1CCCCC1 ZINC001026268123 740696384 /nfs/dbraw/zinc/69/63/84/740696384.db2.gz WBZPWKNINHLFKH-KKUMJFAQSA-N 1 3 336.480 0.563 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001104937769 740975234 /nfs/dbraw/zinc/97/52/34/740975234.db2.gz GVQDELMVUAQHTR-QLFBSQMISA-N 1 3 326.485 0.537 20 0 ECADHO Cc1nnc(CN[C@@H]2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)[nH]1 ZINC001026400587 741235912 /nfs/dbraw/zinc/23/59/12/741235912.db2.gz LVVPHZNIUWAIIE-RRFJBIMHSA-N 1 3 344.463 0.536 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001105064303 741273020 /nfs/dbraw/zinc/27/30/20/741273020.db2.gz IQQQOBOQLFUDJY-HUUCEWRRSA-N 1 3 347.525 0.445 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001105067347 741283118 /nfs/dbraw/zinc/28/31/18/741283118.db2.gz XNCBUAJGBSFAQI-HZPDHXFCSA-N 1 3 336.484 0.693 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CCn3cncn3)CC2)C1 ZINC001026561294 741556450 /nfs/dbraw/zinc/55/64/50/741556450.db2.gz UZTAGNMYTWZJDI-FHERZECASA-N 1 3 334.468 0.637 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105321128 741774941 /nfs/dbraw/zinc/77/49/41/741774941.db2.gz WJLYQOIKIZULHO-MRXNPFEDSA-N 1 3 336.484 0.993 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006683759 751667979 /nfs/dbraw/zinc/66/79/79/751667979.db2.gz ZYQOMMPRSKHMSZ-MJBXVCDLSA-N 1 3 347.463 0.646 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006683759 751667985 /nfs/dbraw/zinc/66/79/85/751667985.db2.gz ZYQOMMPRSKHMSZ-MJBXVCDLSA-N 1 3 347.463 0.646 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC001026889206 742029028 /nfs/dbraw/zinc/02/90/28/742029028.db2.gz UCBAGULUNROKMB-CXAGYDPISA-N 1 3 347.463 0.764 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001026888592 742046153 /nfs/dbraw/zinc/04/61/53/742046153.db2.gz IMIURBRQHDTTNP-CZUORRHYSA-N 1 3 334.468 0.576 20 0 ECADHO Cc1nnc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)[nH]1 ZINC001027021986 742315063 /nfs/dbraw/zinc/31/50/63/742315063.db2.gz YGZWNADCFZZWHZ-CFVMTHIKSA-N 1 3 334.468 0.782 20 0 ECADHO Cc1nnc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)[nH]1 ZINC001027021986 742315068 /nfs/dbraw/zinc/31/50/68/742315068.db2.gz YGZWNADCFZZWHZ-CFVMTHIKSA-N 1 3 334.468 0.782 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](CNCc3cn(C)nn3)C2)CC1 ZINC001027151281 742796840 /nfs/dbraw/zinc/79/68/40/742796840.db2.gz VFLGBXDLBNGHPA-OAHLLOKOSA-N 1 3 348.495 0.874 20 0 ECADHO COC(=O)[C@@H](CCC[NH3+])Nc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001167897459 751775541 /nfs/dbraw/zinc/77/55/41/751775541.db2.gz INHXSJUTDHBCCI-UONOGXRCSA-N 1 3 333.436 0.978 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027171406 742993620 /nfs/dbraw/zinc/99/36/20/742993620.db2.gz YXHGVPLDYHMFND-LSDHHAIUSA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027171406 742993627 /nfs/dbraw/zinc/99/36/27/742993627.db2.gz YXHGVPLDYHMFND-LSDHHAIUSA-N 1 3 334.468 0.578 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CCn3cncn3)CC2)C1 ZINC000997000604 743112003 /nfs/dbraw/zinc/11/20/03/743112003.db2.gz RQJIDUBREUBKAQ-UHFFFAOYSA-N 1 3 334.468 0.591 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC000997006592 743121222 /nfs/dbraw/zinc/12/12/22/743121222.db2.gz NCKOJYINGMUEIR-HNNXBMFYSA-N 1 3 333.480 0.885 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCN3CCCC3=O)CC2)C1 ZINC000997008579 743122904 /nfs/dbraw/zinc/12/29/04/743122904.db2.gz VQVPFBHWPHLZIT-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO Cn1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1=O ZINC000997043120 743162932 /nfs/dbraw/zinc/16/29/32/743162932.db2.gz UZHGDZQPJFSRQO-UHFFFAOYSA-N 1 3 329.404 0.432 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CNCc3cc4n(n3)CCC4)C2)C1 ZINC001027216138 743191298 /nfs/dbraw/zinc/19/12/98/743191298.db2.gz RRFUTIAFNBDAMJ-GJZGRUSLSA-N 1 3 331.464 0.719 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CNCc3cc4n(n3)CCC4)C2)C1 ZINC001027216138 743191307 /nfs/dbraw/zinc/19/13/07/743191307.db2.gz RRFUTIAFNBDAMJ-GJZGRUSLSA-N 1 3 331.464 0.719 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001027217931 743195858 /nfs/dbraw/zinc/19/58/58/743195858.db2.gz SZNMHGWLCYXVJJ-HNNXBMFYSA-N 1 3 331.464 0.863 20 0 ECADHO Cc1cc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nn1C ZINC000997195318 743339786 /nfs/dbraw/zinc/33/97/86/743339786.db2.gz VNQDCTWNNHFYJD-UHFFFAOYSA-N 1 3 331.464 0.905 20 0 ECADHO NC(=O)c1cccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000997307805 743471649 /nfs/dbraw/zinc/47/16/49/743471649.db2.gz WALNSMHAWGRYOL-UHFFFAOYSA-N 1 3 344.459 0.962 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000976088758 743538997 /nfs/dbraw/zinc/53/89/97/743538997.db2.gz NOLUGKUQYHSHKI-LZWOXQAQSA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000976088758 743539005 /nfs/dbraw/zinc/53/90/05/743539005.db2.gz NOLUGKUQYHSHKI-LZWOXQAQSA-N 1 3 345.447 0.353 20 0 ECADHO CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020586426 751843583 /nfs/dbraw/zinc/84/35/83/751843583.db2.gz OEBQQNLHWJVELD-QEJZJMRPSA-N 1 3 334.468 0.828 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001020586513 751844622 /nfs/dbraw/zinc/84/46/22/751844622.db2.gz PRXPNBLCJMOPSK-KBUPBQIOSA-N 1 3 332.452 0.487 20 0 ECADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001020587720 751847944 /nfs/dbraw/zinc/84/79/44/751847944.db2.gz RQNUVCFIIRYFRT-YWDSYVAPSA-N 1 3 328.432 0.310 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)C1 ZINC001020588613 751850200 /nfs/dbraw/zinc/85/02/00/751850200.db2.gz GYOYZPUXCXEZLE-KLHDSHLOSA-N 1 3 336.480 0.481 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976598355 744122960 /nfs/dbraw/zinc/12/29/60/744122960.db2.gz CUCPQZHLBDXYKN-PTENTFFRSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@H]32)CC[N@H+]1C ZINC000976598355 744122963 /nfs/dbraw/zinc/12/29/63/744122963.db2.gz CUCPQZHLBDXYKN-PTENTFFRSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000976762552 744303607 /nfs/dbraw/zinc/30/36/07/744303607.db2.gz XAQKEXBRLRZGQD-KMANFZQXSA-N 1 3 348.491 0.386 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)C1 ZINC000998897469 744390493 /nfs/dbraw/zinc/39/04/93/744390493.db2.gz FETXGRFVBUYHNW-FHERZECASA-N 1 3 348.495 0.872 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)C1 ZINC000998897469 744390497 /nfs/dbraw/zinc/39/04/97/744390497.db2.gz FETXGRFVBUYHNW-FHERZECASA-N 1 3 348.495 0.872 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000976862018 744414351 /nfs/dbraw/zinc/41/43/51/744414351.db2.gz NCNKDSNJMULTOO-DEQQHWRFSA-N 1 3 336.480 0.241 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000976862018 744414352 /nfs/dbraw/zinc/41/43/52/744414352.db2.gz NCNKDSNJMULTOO-DEQQHWRFSA-N 1 3 336.480 0.241 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000976872444 744430909 /nfs/dbraw/zinc/43/09/09/744430909.db2.gz ZDVQMSPPDLWJGE-JJXSEGSLSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC001020632993 751919139 /nfs/dbraw/zinc/91/91/39/751919139.db2.gz BRSRQEPMMSUUPZ-GUTXKFCHSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC001020632993 751919144 /nfs/dbraw/zinc/91/91/44/751919144.db2.gz BRSRQEPMMSUUPZ-GUTXKFCHSA-N 1 3 333.436 0.400 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCN2CCNC2=O)C1)N(C)C ZINC001027461853 744604651 /nfs/dbraw/zinc/60/46/51/744604651.db2.gz QOLOWVQODQIYHX-HUUCEWRRSA-N 1 3 339.484 0.275 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCN2CCNC2=O)C1)N(C)C ZINC001027461853 744604653 /nfs/dbraw/zinc/60/46/53/744604653.db2.gz QOLOWVQODQIYHX-HUUCEWRRSA-N 1 3 339.484 0.275 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC000999363801 744655234 /nfs/dbraw/zinc/65/52/34/744655234.db2.gz KELXPINGIXBLDG-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N(C)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC000999871038 744973840 /nfs/dbraw/zinc/97/38/40/744973840.db2.gz SOABEHZMGGIPIE-DQPZFDDXSA-N 1 3 344.459 0.829 20 0 ECADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001100378395 751960633 /nfs/dbraw/zinc/96/06/33/751960633.db2.gz XVHKHVQEUPAJEF-YMAMQOFZSA-N 1 3 344.475 0.629 20 0 ECADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000999986670 745140628 /nfs/dbraw/zinc/14/06/28/745140628.db2.gz UMMKKWAMTJUOBV-ZBFHGGJFSA-N 1 3 336.480 0.849 20 0 ECADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999986670 745140631 /nfs/dbraw/zinc/14/06/31/745140631.db2.gz UMMKKWAMTJUOBV-ZBFHGGJFSA-N 1 3 336.480 0.849 20 0 ECADHO Cc1nnc(CN[C@H](C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001029170259 745200393 /nfs/dbraw/zinc/20/03/93/745200393.db2.gz LKDIBNCIYQTIOF-DOMZBBRYSA-N 1 3 334.468 0.782 20 0 ECADHO Cc1nnc(CN[C@H](C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001029170259 745200401 /nfs/dbraw/zinc/20/04/01/745200401.db2.gz LKDIBNCIYQTIOF-DOMZBBRYSA-N 1 3 334.468 0.782 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001000114297 745274597 /nfs/dbraw/zinc/27/45/97/745274597.db2.gz ULKFTLYZFXKHJA-NVXWUHKLSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000208547 745348457 /nfs/dbraw/zinc/34/84/57/745348457.db2.gz MCTGJCMZILRWMZ-BLLLJJGKSA-N 1 3 328.432 0.265 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000208547 745348461 /nfs/dbraw/zinc/34/84/61/745348461.db2.gz MCTGJCMZILRWMZ-BLLLJJGKSA-N 1 3 328.432 0.265 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000208547 745348464 /nfs/dbraw/zinc/34/84/64/745348464.db2.gz MCTGJCMZILRWMZ-BLLLJJGKSA-N 1 3 328.432 0.265 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001000546280 745583052 /nfs/dbraw/zinc/58/30/52/745583052.db2.gz NYXWZVZADVLUOD-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1)N(C)C ZINC000977940694 745672871 /nfs/dbraw/zinc/67/28/71/745672871.db2.gz DHCWIKDCGKTCJO-CVEARBPZSA-N 1 3 338.496 0.728 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001000917663 745897051 /nfs/dbraw/zinc/89/70/51/745897051.db2.gz LSPZJPGQVCDBMU-KBPBESRZSA-N 1 3 332.452 0.714 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001000917663 745897056 /nfs/dbraw/zinc/89/70/56/745897056.db2.gz LSPZJPGQVCDBMU-KBPBESRZSA-N 1 3 332.452 0.714 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001000919600 745900107 /nfs/dbraw/zinc/90/01/07/745900107.db2.gz PWQSCKWNUBLLAV-SJORKVTESA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001000919600 745900109 /nfs/dbraw/zinc/90/01/09/745900109.db2.gz PWQSCKWNUBLLAV-SJORKVTESA-N 1 3 344.459 0.818 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CCOC ZINC001087665402 746169072 /nfs/dbraw/zinc/16/90/72/746169072.db2.gz NCOFPJSQUOIPAE-SYGRHNPNSA-N 1 3 337.464 0.465 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CCOC ZINC001087665402 746169074 /nfs/dbraw/zinc/16/90/74/746169074.db2.gz NCOFPJSQUOIPAE-SYGRHNPNSA-N 1 3 337.464 0.465 20 0 ECADHO Cn1cc(CCN2CC=C(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001001454727 746394249 /nfs/dbraw/zinc/39/42/49/746394249.db2.gz ZFCMZDCADGDYAA-KRWDZBQOSA-N 1 3 331.464 0.663 20 0 ECADHO Cn1cc(CCN2CC=C(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001001454727 746394252 /nfs/dbraw/zinc/39/42/52/746394252.db2.gz ZFCMZDCADGDYAA-KRWDZBQOSA-N 1 3 331.464 0.663 20 0 ECADHO CCCN(C)CC(=O)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001203442690 746501007 /nfs/dbraw/zinc/50/10/07/746501007.db2.gz LXOUFNCGXGRDTG-INIZCTEOSA-N 1 3 337.468 0.166 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027652565 746581643 /nfs/dbraw/zinc/58/16/43/746581643.db2.gz RZUNWZNQMGUMNI-HOTGVXAUSA-N 1 3 334.468 0.543 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027652565 746581646 /nfs/dbraw/zinc/58/16/46/746581646.db2.gz RZUNWZNQMGUMNI-HOTGVXAUSA-N 1 3 334.468 0.543 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC001002258070 747133009 /nfs/dbraw/zinc/13/30/09/747133009.db2.gz KVXSOPWJSDTOME-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC001002258070 747133018 /nfs/dbraw/zinc/13/30/18/747133018.db2.gz KVXSOPWJSDTOME-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC000985074696 747326438 /nfs/dbraw/zinc/32/64/38/747326438.db2.gz ZESYVEFBNXWBFZ-KKUMJFAQSA-N 1 3 347.463 0.661 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)C1 ZINC001088106776 747400025 /nfs/dbraw/zinc/40/00/25/747400025.db2.gz QFUUQFHKKHLSER-BBWFWOEESA-N 1 3 346.479 0.400 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)C1 ZINC001088106776 747400028 /nfs/dbraw/zinc/40/00/28/747400028.db2.gz QFUUQFHKKHLSER-BBWFWOEESA-N 1 3 346.479 0.400 20 0 ECADHO Cc1nc(C)c(CNCCCNC(=O)c2cnn(CC[NH+](C)C)c2)o1 ZINC001168052809 747444334 /nfs/dbraw/zinc/44/43/34/747444334.db2.gz XGMWELWOBOABFT-UHFFFAOYSA-N 1 3 348.451 0.959 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC000985155361 747480963 /nfs/dbraw/zinc/48/09/63/747480963.db2.gz XZBMRMIBQVYULE-DZKIICNBSA-N 1 3 334.468 0.674 20 0 ECADHO C[C@@H](NCc1ccnn1C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC000979369687 747695717 /nfs/dbraw/zinc/69/57/17/747695717.db2.gz JKRUKZSVTJBZFI-RHSMWYFYSA-N 1 3 349.479 0.467 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000985328139 747712999 /nfs/dbraw/zinc/71/29/99/747712999.db2.gz QZOCFFFPCULIJO-QGZVFWFLSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000985328139 747713006 /nfs/dbraw/zinc/71/30/06/747713006.db2.gz QZOCFFFPCULIJO-QGZVFWFLSA-N 1 3 348.495 0.912 20 0 ECADHO Cn1nccc1CCN1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002833939 747853725 /nfs/dbraw/zinc/85/37/25/747853725.db2.gz QYEVZAVCYIPEQL-SFHVURJKSA-N 1 3 345.491 0.885 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001002917069 747957279 /nfs/dbraw/zinc/95/72/79/747957279.db2.gz IFNOOSPVEDOHOB-AWEZNQCLSA-N 1 3 336.480 0.387 20 0 ECADHO CO[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003334799 748438295 /nfs/dbraw/zinc/43/82/95/748438295.db2.gz XDZXVUNEWONURN-GEMJLEDKSA-N 1 3 337.464 0.465 20 0 ECADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985615099 748752742 /nfs/dbraw/zinc/75/27/42/748752742.db2.gz UJRMCOQTWBJMIL-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001088335100 748792640 /nfs/dbraw/zinc/79/26/40/748792640.db2.gz VVRGTXYLFPEJLR-JKSUJKDBSA-N 1 3 336.484 0.979 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)CC(=O)N3CCC3)CC2)C1 ZINC000985652172 748806432 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750337445 /nfs/dbraw/zinc/33/74/45/750337445.db2.gz DTQKNVXHHOFKIN-CVEARBPZSA-N 1 3 346.479 0.782 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001005182605 750337856 /nfs/dbraw/zinc/33/78/56/750337856.db2.gz DTQKNVXHHOFKIN-HOTGVXAUSA-N 1 3 346.479 0.782 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001005186201 750344604 /nfs/dbraw/zinc/34/46/04/750344604.db2.gz YSCKOULMIIQFTE-IAGOWNOFSA-N 1 3 349.479 0.261 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000987168085 750561747 /nfs/dbraw/zinc/56/17/47/750561747.db2.gz YSYUMFCPQASQDU-GJZGRUSLSA-N 1 3 347.463 0.791 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000987168085 750561751 /nfs/dbraw/zinc/56/17/51/750561751.db2.gz YSYUMFCPQASQDU-GJZGRUSLSA-N 1 3 347.463 0.791 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000981485442 750737548 /nfs/dbraw/zinc/73/75/48/750737548.db2.gz IVYHXCMLQQUFPK-HUUCEWRRSA-N 1 3 347.463 0.900 20 0 ECADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCN1CCC([NH3+])CC1 ZINC000925816263 750957577 /nfs/dbraw/zinc/95/75/77/750957577.db2.gz XOKNZJIMJCOAFW-AWEZNQCLSA-N 1 3 325.478 0.862 20 0 ECADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006119711 751038740 /nfs/dbraw/zinc/03/87/40/751038740.db2.gz RPZDLBWTTVNTKI-KBPBESRZSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006119711 751038747 /nfs/dbraw/zinc/03/87/47/751038747.db2.gz RPZDLBWTTVNTKI-KBPBESRZSA-N 1 3 336.480 0.386 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001020927699 752348575 /nfs/dbraw/zinc/34/85/75/752348575.db2.gz OQPSZVMOVDWEPT-KBUPBQIOSA-N 1 3 334.468 0.672 20 0 ECADHO Cn1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O ZINC001028316780 752367129 /nfs/dbraw/zinc/36/71/29/752367129.db2.gz VBVMGORJVKSXEY-HZPDHXFCSA-N 1 3 332.448 0.418 20 0 ECADHO Cn1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001028316780 752367138 /nfs/dbraw/zinc/36/71/38/752367138.db2.gz VBVMGORJVKSXEY-HZPDHXFCSA-N 1 3 332.448 0.418 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)c1 ZINC001021090856 752531098 /nfs/dbraw/zinc/53/10/98/752531098.db2.gz MBRHLVRXOOZNDX-QAQDUYKDSA-N 1 3 344.459 0.831 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)c1 ZINC001021090742 752531115 /nfs/dbraw/zinc/53/11/15/752531115.db2.gz JRRRYQVSDUEUBV-BRWVUGGUSA-N 1 3 344.459 0.829 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC000938040056 752738499 /nfs/dbraw/zinc/73/84/99/752738499.db2.gz TXPWAKKTDQHUJN-CAOSSQGBSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC000938040056 752738502 /nfs/dbraw/zinc/73/85/02/752738502.db2.gz TXPWAKKTDQHUJN-CAOSSQGBSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000938040181 752739136 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WDERIXJZXDYQHU-BPLDGKMQSA-N 1 3 347.463 0.646 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(N)=O)CCC1)N(C)C ZINC001105544725 753815709 /nfs/dbraw/zinc/81/57/09/753815709.db2.gz RNYVAQUAMXALHW-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]([NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1)C(N)=O ZINC001105566738 753837898 /nfs/dbraw/zinc/83/78/98/753837898.db2.gz UGUBOZRGSIULCK-HIFRSBDPSA-N 1 3 347.463 0.967 20 0 ECADHO CCn1cc(CC[NH2+][C@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC000989493476 754026793 /nfs/dbraw/zinc/02/67/93/754026793.db2.gz UWQHWYYGDFTMOA-BBRMVZONSA-N 1 3 330.436 0.990 20 0 ECADHO C[C@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989521924 754076250 /nfs/dbraw/zinc/07/62/50/754076250.db2.gz LWQMQMJYPPPADG-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC000982898080 754126375 /nfs/dbraw/zinc/12/63/75/754126375.db2.gz QGICBSMBTYAKOS-HNNXBMFYSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1C[C@H](NCc2ccnn2C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989619187 754196163 /nfs/dbraw/zinc/19/61/63/754196163.db2.gz SVPVIHHDWRKHHQ-CABCVRRESA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H]1C[C@H](NCc2ccnn2C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989619188 754196642 /nfs/dbraw/zinc/19/66/42/754196642.db2.gz SVPVIHHDWRKHHQ-GJZGRUSLSA-N 1 3 349.479 0.610 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000982924729 754212219 /nfs/dbraw/zinc/21/22/19/754212219.db2.gz GEUASQXPENTIOL-GOEBONIOSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989800310 754436656 /nfs/dbraw/zinc/43/66/56/754436656.db2.gz QPUUFTMXUUONNU-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829258 754498813 /nfs/dbraw/zinc/49/88/13/754498813.db2.gz PUFFAQWWCQQQEI-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC(=O)N(C)C2CC2)CC1 ZINC001168320841 754514056 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20 0 ECADHO CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076469000 756543538 /nfs/dbraw/zinc/54/35/38/756543538.db2.gz NQBIQNSXYPUTSO-ARFHVFGLSA-N 1 3 346.475 0.236 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001076628370 756750191 /nfs/dbraw/zinc/75/01/91/756750191.db2.gz KPYDFZWFZGEARH-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001076628370 756750193 /nfs/dbraw/zinc/75/01/93/756750193.db2.gz KPYDFZWFZGEARH-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829824 757131029 /nfs/dbraw/zinc/13/10/29/757131029.db2.gz ZGZRUDBTJNVTGM-DGADGQDISA-N 1 3 336.480 0.194 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829824 757131033 /nfs/dbraw/zinc/13/10/33/757131033.db2.gz ZGZRUDBTJNVTGM-DGADGQDISA-N 1 3 336.480 0.194 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)N(C)C ZINC001011178162 757131527 /nfs/dbraw/zinc/13/15/27/757131527.db2.gz OBSGHVYBLWKKBY-HOTGVXAUSA-N 1 3 336.480 0.339 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@H]3C2)C1=O ZINC001048862945 757216151 /nfs/dbraw/zinc/21/61/51/757216151.db2.gz BQRUBSQDQNQXKG-TWMKSMIVSA-N 1 3 348.491 0.338 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@H]3C2)C1=O ZINC001048862945 757216162 /nfs/dbraw/zinc/21/61/62/757216162.db2.gz BQRUBSQDQNQXKG-TWMKSMIVSA-N 1 3 348.491 0.338 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996313557 757344133 /nfs/dbraw/zinc/34/41/33/757344133.db2.gz FNTYYSUYHYZPHM-KRWDZBQOSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1)N(C)C ZINC001011267756 757345028 /nfs/dbraw/zinc/34/50/28/757345028.db2.gz FJFNJZMZEOSSKF-INIZCTEOSA-N 1 3 338.496 0.585 20 0 ECADHO Cn1cc(CN2C[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]3C2)cn1 ZINC001048919409 757412350 /nfs/dbraw/zinc/41/23/50/757412350.db2.gz YISXCUGXVQRXCN-CALCHBBNSA-N 1 3 343.475 0.939 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)C34CCC[NH+]3CCC4)C2)CCC1 ZINC000996343140 757415542 /nfs/dbraw/zinc/41/55/42/757415542.db2.gz KNJOHRGNHLEKRP-UHFFFAOYSA-N 1 3 334.464 0.426 20 0 ECADHO Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996353905 757454125 /nfs/dbraw/zinc/45/41/25/757454125.db2.gz FCYXJQDIJFJZDH-OAHLLOKOSA-N 1 3 330.436 0.755 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2cnn(C)c2)C1 ZINC001051646839 762572937 /nfs/dbraw/zinc/57/29/37/762572937.db2.gz DHLZAVAMHHUVQC-IRXDYDNUSA-N 1 3 349.479 0.612 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2cnn(C)c2)C1 ZINC001051646839 762572939 /nfs/dbraw/zinc/57/29/39/762572939.db2.gz DHLZAVAMHHUVQC-IRXDYDNUSA-N 1 3 349.479 0.612 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C)N(C)C ZINC001076971301 757782232 /nfs/dbraw/zinc/78/22/32/757782232.db2.gz YJOLLHAURYXPND-HOCLYGCPSA-N 1 3 344.500 0.162 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049057192 757806182 /nfs/dbraw/zinc/80/61/82/757806182.db2.gz MPAGUNVVTIMMFO-JONQDZQNSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049057192 757806203 /nfs/dbraw/zinc/80/62/03/757806203.db2.gz MPAGUNVVTIMMFO-JONQDZQNSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@@H]3C2)C1 ZINC001049057289 757807315 /nfs/dbraw/zinc/80/73/15/757807315.db2.gz DEEKBQYTWQOORF-ZACQAIPSSA-N 1 3 345.491 0.695 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCc4ccnn4C)C[C@@H]3C2)C1 ZINC001049057289 757807331 /nfs/dbraw/zinc/80/73/31/757807331.db2.gz DEEKBQYTWQOORF-ZACQAIPSSA-N 1 3 345.491 0.695 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049060145 757830035 /nfs/dbraw/zinc/83/00/35/757830035.db2.gz NGGPSOHVDYXIEM-JKIFEVAISA-N 1 3 327.444 0.581 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049060145 757830047 /nfs/dbraw/zinc/83/00/47/757830047.db2.gz NGGPSOHVDYXIEM-JKIFEVAISA-N 1 3 327.444 0.581 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+]C[C@@H]3CCCOC3)C2)CCC1 ZINC001051650931 762588613 /nfs/dbraw/zinc/58/86/13/762588613.db2.gz FQVFVRAXCPZJSK-JKSUJKDBSA-N 1 3 339.480 0.714 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001051653847 762598702 /nfs/dbraw/zinc/59/87/02/762598702.db2.gz ANTBIRUIMAXFQE-HNNXBMFYSA-N 1 3 335.452 0.221 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CCO1 ZINC001051655303 762605712 /nfs/dbraw/zinc/60/57/12/762605712.db2.gz ZQLAPXHUSYXKGF-IAGOWNOFSA-N 1 3 349.479 0.386 20 0 ECADHO CCN(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001077108464 758190932 /nfs/dbraw/zinc/19/09/32/758190932.db2.gz FQEKZFWJMMCLQR-UONOGXRCSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001077108464 758190937 /nfs/dbraw/zinc/19/09/37/758190937.db2.gz FQEKZFWJMMCLQR-UONOGXRCSA-N 1 3 326.485 0.679 20 0 ECADHO CN(C)[C@](C)(C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1)c1ccccc1 ZINC001049165917 758192777 /nfs/dbraw/zinc/19/27/77/758192777.db2.gz IRYGUCMSMIJEFW-KHYOSLBOSA-N 1 3 344.459 0.339 20 0 ECADHO CN(C)[C@](C)(C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)c1ccccc1 ZINC001049165917 758192781 /nfs/dbraw/zinc/19/27/81/758192781.db2.gz IRYGUCMSMIJEFW-KHYOSLBOSA-N 1 3 344.459 0.339 20 0 ECADHO Cc1oncc1CN1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001049174726 758223757 /nfs/dbraw/zinc/22/37/57/758223757.db2.gz YDNBUFMTFWXPRO-IYBDPMFKSA-N 1 3 330.432 0.969 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001022090416 758263699 /nfs/dbraw/zinc/26/36/99/758263699.db2.gz YGBFIHPIUCXIGW-QLFBSQMISA-N 1 3 344.463 0.761 20 0 ECADHO Cc1cc(CNC2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)on1 ZINC000996625204 758272562 /nfs/dbraw/zinc/27/25/62/758272562.db2.gz ZSUTXGZHXCRPSX-NVXWUHKLSA-N 1 3 348.447 0.927 20 0 ECADHO Cc1cc(CNC2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)on1 ZINC000996625204 758272565 /nfs/dbraw/zinc/27/25/65/758272565.db2.gz ZSUTXGZHXCRPSX-NVXWUHKLSA-N 1 3 348.447 0.927 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049212450 758325551 /nfs/dbraw/zinc/32/55/51/758325551.db2.gz CCJRYIKXPJTGSH-BHYGNILZSA-N 1 3 331.464 0.570 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049212450 758325562 /nfs/dbraw/zinc/32/55/62/758325562.db2.gz CCJRYIKXPJTGSH-BHYGNILZSA-N 1 3 331.464 0.570 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001077151141 758351989 /nfs/dbraw/zinc/35/19/89/758351989.db2.gz GBJDNEGVMCLJLT-UONOGXRCSA-N 1 3 326.485 0.679 20 0 ECADHO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)nn1 ZINC000996677462 758447840 /nfs/dbraw/zinc/44/78/40/758447840.db2.gz JTDVJBQKPQPBBM-KRWDZBQOSA-N 1 3 347.463 0.906 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001022274244 758508230 /nfs/dbraw/zinc/50/82/30/758508230.db2.gz RVENDPBBBXDAOL-OKILXGFUSA-N 1 3 332.452 0.428 20 0 ECADHO CNC(=O)CN1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439279 758567925 /nfs/dbraw/zinc/56/79/25/758567925.db2.gz URRJSJPYFPCRNI-UWWQBHOKSA-N 1 3 336.480 0.433 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCNC(=O)CC2)CC1)N(C)C ZINC000996713298 758568185 /nfs/dbraw/zinc/56/81/85/758568185.db2.gz SPTFSRYULXNCLJ-GDBMZVCRSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001060320585 762636713 /nfs/dbraw/zinc/63/67/13/762636713.db2.gz WIEAOKQOSPHIGC-RDJZCZTQSA-N 1 3 340.512 0.879 20 0 ECADHO O=C(NCCNCc1ccnc(Cl)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779191 758644129 /nfs/dbraw/zinc/64/41/29/758644129.db2.gz JUDJMQWVTDLDHJ-ZIAGYGMSSA-N 1 3 338.839 0.804 20 0 ECADHO O=C(NCCNCc1ccnc(Cl)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779191 758644134 /nfs/dbraw/zinc/64/41/34/758644134.db2.gz JUDJMQWVTDLDHJ-ZIAGYGMSSA-N 1 3 338.839 0.804 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671243 762655169 /nfs/dbraw/zinc/65/51/69/762655169.db2.gz FNWATQKLDGJJDX-UONOGXRCSA-N 1 3 335.452 0.647 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671243 762655173 /nfs/dbraw/zinc/65/51/73/762655173.db2.gz FNWATQKLDGJJDX-UONOGXRCSA-N 1 3 335.452 0.647 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022454929 758746652 /nfs/dbraw/zinc/74/66/52/758746652.db2.gz COFKZOYDYGGTMI-ITBUKVITSA-N 1 3 349.475 0.656 20 0 ECADHO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671845 762656012 /nfs/dbraw/zinc/65/60/12/762656012.db2.gz MZIRZMKTPFBWBL-KBPBESRZSA-N 1 3 347.463 0.647 20 0 ECADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785618 758769631 /nfs/dbraw/zinc/76/96/31/758769631.db2.gz OURJEMUPEOIKDP-SJORKVTESA-N 1 3 349.479 0.841 20 0 ECADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785618 758769639 /nfs/dbraw/zinc/76/96/39/758769639.db2.gz OURJEMUPEOIKDP-SJORKVTESA-N 1 3 349.479 0.841 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001022612947 758953834 /nfs/dbraw/zinc/95/38/34/758953834.db2.gz LNDQVKVMTZCKOS-BETUJISGSA-N 1 3 332.408 0.520 20 0 ECADHO CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022715833 759030486 /nfs/dbraw/zinc/03/04/86/759030486.db2.gz NMVYVDISSQLKHC-AEGPPILISA-N 1 3 334.468 0.685 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1=O ZINC001022717427 759033228 /nfs/dbraw/zinc/03/32/28/759033228.db2.gz WKQFBBNGBVGYTP-GUIRCDHDSA-N 1 3 349.431 0.583 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc1=O ZINC001022717427 759033237 /nfs/dbraw/zinc/03/32/37/759033237.db2.gz WKQFBBNGBVGYTP-GUIRCDHDSA-N 1 3 349.431 0.583 20 0 ECADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1)N(C)C ZINC001051683987 762682727 /nfs/dbraw/zinc/68/27/27/762682727.db2.gz UOMZHXPEJRIXQW-ZWKOTPCHSA-N 1 3 349.475 0.836 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCn2cncn2)C1 ZINC001049719274 759127909 /nfs/dbraw/zinc/12/79/09/759127909.db2.gz LMNBTJTVWMTUSN-IKGGRYGDSA-N 1 3 346.479 0.685 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCn2cncn2)C1 ZINC001049719274 759127916 /nfs/dbraw/zinc/12/79/16/759127916.db2.gz LMNBTJTVWMTUSN-IKGGRYGDSA-N 1 3 346.479 0.685 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047871460 759632795 /nfs/dbraw/zinc/63/27/95/759632795.db2.gz YBVRNFWBXVRTPY-KGLIPLIRSA-N 1 3 334.468 0.626 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001050063357 759640892 /nfs/dbraw/zinc/64/08/92/759640892.db2.gz HYZQDFNMVHNYBX-BHYGNILZSA-N 1 3 348.491 0.624 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001050063357 759640895 /nfs/dbraw/zinc/64/08/95/759640895.db2.gz HYZQDFNMVHNYBX-BHYGNILZSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@H](NCc1cnn(C)n1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047975893 759761473 /nfs/dbraw/zinc/76/14/73/759761473.db2.gz PAAORDBGJBQGHM-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1cnn(C)n1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047975893 759761477 /nfs/dbraw/zinc/76/14/77/759761477.db2.gz PAAORDBGJBQGHM-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001054296481 767904179 /nfs/dbraw/zinc/90/41/79/767904179.db2.gz PZKHIYUZXIDLFX-BZUAXINKSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNCc3ncnn3C)CC2)CC[N@@H+]1C ZINC001050328861 760135844 /nfs/dbraw/zinc/13/58/44/760135844.db2.gz NPHBQGPKGGSJKA-KLHDSHLOSA-N 1 3 348.495 0.920 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNCc3ncnn3C)CC2)CC[N@H+]1C ZINC001050328861 760135847 /nfs/dbraw/zinc/13/58/47/760135847.db2.gz NPHBQGPKGGSJKA-KLHDSHLOSA-N 1 3 348.495 0.920 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2=O)CC1 ZINC001050368111 760190754 /nfs/dbraw/zinc/19/07/54/760190754.db2.gz SAMXDABGPMGRJR-VGWMRTNUSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001048392946 760429968 /nfs/dbraw/zinc/42/99/68/760429968.db2.gz NDPDQUWURVCWQX-HIFRSBDPSA-N 1 3 343.431 0.535 20 0 ECADHO CN(C)C(=O)CN1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050545327 760465874 /nfs/dbraw/zinc/46/58/74/760465874.db2.gz AOHJGGSIQCRACM-MRXNPFEDSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050553937 760483811 /nfs/dbraw/zinc/48/38/11/760483811.db2.gz NCMFIWJPUYUQFI-CABCVRRESA-N 1 3 338.496 0.761 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNCc1nccn1C ZINC001048441522 760535779 /nfs/dbraw/zinc/53/57/79/760535779.db2.gz QDYNFMAMYVCIGO-CABCVRRESA-N 1 3 331.464 0.700 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995799044 760623110 /nfs/dbraw/zinc/62/31/10/760623110.db2.gz QWDBHYIHPJCORL-HZPDHXFCSA-N 1 3 348.495 0.978 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050662726 760638427 /nfs/dbraw/zinc/63/84/27/760638427.db2.gz MWGWRONVAUGXOS-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050662726 760638429 /nfs/dbraw/zinc/63/84/29/760638429.db2.gz MWGWRONVAUGXOS-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663367 760640053 /nfs/dbraw/zinc/64/00/53/760640053.db2.gz RVFIOGZVAUABJI-CABCVRRESA-N 1 3 336.480 0.659 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663367 760640058 /nfs/dbraw/zinc/64/00/58/760640058.db2.gz RVFIOGZVAUABJI-CABCVRRESA-N 1 3 336.480 0.659 20 0 ECADHO Cc1nc(CN[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2(C)C)n[nH]1 ZINC000995819238 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766457661 /nfs/dbraw/zinc/45/76/61/766457661.db2.gz XGXFLGOMCVPRGS-IXDOHACOSA-N 1 3 349.479 0.022 20 0 ECADHO NC(=O)c1ccc(CNCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC001127254173 766509789 /nfs/dbraw/zinc/50/97/89/766509789.db2.gz CLOJOTNYAKYTPZ-SJORKVTESA-N 1 3 344.459 0.866 20 0 ECADHO NC(=O)c1ccc(CNCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC001127254173 766509791 /nfs/dbraw/zinc/50/97/91/766509791.db2.gz CLOJOTNYAKYTPZ-SJORKVTESA-N 1 3 344.459 0.866 20 0 ECADHO COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035756 766722647 /nfs/dbraw/zinc/72/26/47/766722647.db2.gz RZRDMIJNYROHLV-MRXNPFEDSA-N 1 3 338.496 0.336 20 0 ECADHO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035756 766722652 /nfs/dbraw/zinc/72/26/52/766722652.db2.gz RZRDMIJNYROHLV-MRXNPFEDSA-N 1 3 338.496 0.336 20 0 ECADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC2)C1 ZINC001046047493 766777247 /nfs/dbraw/zinc/77/72/47/766777247.db2.gz RIRPFMNDNRJDLP-ISXWCOSWSA-N 1 3 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ZINC000994854863 767036845 /nfs/dbraw/zinc/03/68/45/767036845.db2.gz NHJWRMGMKJUPBO-HOTGVXAUSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)CC(F)(F)F)CC[N@@H+]1C ZINC001127644073 767393601 /nfs/dbraw/zinc/39/36/01/767393601.db2.gz TYZJWMVHIYMHTQ-GHMZBOCLSA-N 1 3 338.374 0.053 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)CC(F)(F)F)CC[N@H+]1C ZINC001127644073 767393610 /nfs/dbraw/zinc/39/36/10/767393610.db2.gz TYZJWMVHIYMHTQ-GHMZBOCLSA-N 1 3 338.374 0.053 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CC(N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC001017107540 767597305 /nfs/dbraw/zinc/59/73/05/767597305.db2.gz MLPGXQBHZXZJPQ-DISOXQEGSA-N 1 3 347.463 0.788 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CC(N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC001017107540 767597309 /nfs/dbraw/zinc/59/73/09/767597309.db2.gz MLPGXQBHZXZJPQ-DISOXQEGSA-N 1 3 347.463 0.788 20 0 ECADHO CN(C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCN(C)C1=O ZINC001017250737 767769718 /nfs/dbraw/zinc/76/97/18/767769718.db2.gz IZSGSQNIFXILSI-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1)N(C)C ZINC001106674430 768584456 /nfs/dbraw/zinc/58/44/56/768584456.db2.gz VDJMCDCWAOOMNY-KFWWJZLASA-N 1 3 340.512 0.925 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099259704 768795822 /nfs/dbraw/zinc/79/58/22/768795822.db2.gz UFSQDPOWUQXNOQ-JHJVBQTASA-N 1 3 337.386 0.832 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099259704 768795826 /nfs/dbraw/zinc/79/58/26/768795826.db2.gz UFSQDPOWUQXNOQ-JHJVBQTASA-N 1 3 337.386 0.832 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCCN1CCCO ZINC000993371539 768893456 /nfs/dbraw/zinc/89/34/56/768893456.db2.gz ZQENDUGKPHZHFA-CABCVRRESA-N 1 3 337.468 0.410 20 0 ECADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(N)=O ZINC001106798527 769021185 /nfs/dbraw/zinc/02/11/85/769021185.db2.gz JNAJFPKLZPMSQY-BZUAXINKSA-N 1 3 338.496 0.666 20 0 ECADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798608 769021328 /nfs/dbraw/zinc/02/13/28/769021328.db2.gz MQNBTCGNWHYAOK-BZUAXINKSA-N 1 3 338.496 0.537 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000993828724 769696175 /nfs/dbraw/zinc/69/61/75/769696175.db2.gz IBWZTHOPUURYQL-ZIAGYGMSSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000993949813 769932899 /nfs/dbraw/zinc/93/28/99/769932899.db2.gz NQICQRCBGKLHQH-JKSUJKDBSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000993949813 769932908 /nfs/dbraw/zinc/93/29/08/769932908.db2.gz NQICQRCBGKLHQH-JKSUJKDBSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)C1 ZINC001019038222 770626226 /nfs/dbraw/zinc/62/62/26/770626226.db2.gz LXYIMUDYEVZOLL-HZPDHXFCSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)C1 ZINC001019038222 770626229 /nfs/dbraw/zinc/62/62/29/770626229.db2.gz LXYIMUDYEVZOLL-HZPDHXFCSA-N 1 3 348.491 0.341 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001019241544 771048951 /nfs/dbraw/zinc/04/89/51/771048951.db2.gz HVJNGPABTKPVEA-SOUVJXGZSA-N 1 3 343.493 0.096 20 0 ECADHO CC(C)N1CC[C@H](N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001019326598 771160484 /nfs/dbraw/zinc/16/04/84/771160484.db2.gz VPKFPJXIHWEWDB-HOTGVXAUSA-N 1 3 336.480 0.528 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)cc1 ZINC001019386667 771236246 /nfs/dbraw/zinc/23/62/46/771236246.db2.gz SVBYDMXHMNYIIV-DLBZAZTESA-N 1 3 344.459 0.483 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)cc1 ZINC001019386669 771236270 /nfs/dbraw/zinc/23/62/70/771236270.db2.gz SVBYDMXHMNYIIV-IRXDYDNUSA-N 1 3 344.459 0.483 20 0 ECADHO CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466477 771284637 /nfs/dbraw/zinc/28/46/37/771284637.db2.gz LXEALOPDZQSBEI-HIFRSBDPSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN(C(=O)CN2CCCC2)C3)C1 ZINC001019443476 771294854 /nfs/dbraw/zinc/29/48/54/771294854.db2.gz PWSCANBQTLIYBA-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)CN2CCCC2)C3)C1 ZINC001019443476 771294855 /nfs/dbraw/zinc/29/48/55/771294855.db2.gz PWSCANBQTLIYBA-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO C[NH+](C)CCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH]cn1 ZINC001056572082 771392918 /nfs/dbraw/zinc/39/29/18/771392918.db2.gz FFWHUXCRZABEHW-CVEARBPZSA-N 1 3 347.463 0.886 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001020162044 772231667 /nfs/dbraw/zinc/23/16/67/772231667.db2.gz YGBFIHPIUCXIGW-RBSFLKMASA-N 1 3 344.463 0.761 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178776 772249040 /nfs/dbraw/zinc/24/90/40/772249040.db2.gz DSXQUNIDLNTZPG-ANQUJSFKSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178776 772249041 /nfs/dbraw/zinc/24/90/41/772249041.db2.gz DSXQUNIDLNTZPG-ANQUJSFKSA-N 1 3 345.447 0.385 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC[C@H]1C)NC(=O)COCC[NH+](C)C ZINC001078466224 783000025 /nfs/dbraw/zinc/00/00/25/783000025.db2.gz WDNMLNFQKWRNQD-LSDHHAIUSA-N 1 3 342.484 0.060 20 0 ECADHO Cn1cnc2cc(C(=O)N[C@@H]3C[C@@H]([NH2+]Cc4ncnn4C)C3)ccc21 ZINC001020316625 772438066 /nfs/dbraw/zinc/43/80/66/772438066.db2.gz PVRKNYCIAXGULU-JOCQHMNTSA-N 1 3 339.403 0.752 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CCc2ccnn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC001044752001 774580464 /nfs/dbraw/zinc/58/04/64/774580464.db2.gz WCRYVRNHCOSELL-ZIAGYGMSSA-N 1 3 330.436 0.898 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccnn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751999 774580491 /nfs/dbraw/zinc/58/04/91/774580491.db2.gz WCRYVRNHCOSELL-KGLIPLIRSA-N 1 3 330.436 0.898 20 0 ECADHO C[C@@H]1C[C@H](NCc2nccn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044822468 774651510 /nfs/dbraw/zinc/65/15/10/774651510.db2.gz KMZFBTZRHPUVDD-HUUCEWRRSA-N 1 3 331.464 0.985 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)n1 ZINC001044857610 774680951 /nfs/dbraw/zinc/68/09/51/774680951.db2.gz LSHWMNWNUXMZNZ-RHSMWYFYSA-N 1 3 348.495 0.960 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001044959688 774768971 /nfs/dbraw/zinc/76/89/71/774768971.db2.gz LTMPDHZHTFBXEO-JKSUJKDBSA-N 1 3 332.448 0.560 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)C1=O ZINC001045070516 774930635 /nfs/dbraw/zinc/93/06/35/774930635.db2.gz JBKBSPQLMPELMZ-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CC1(NC(=O)c2ccn3c[nH+]cc3c2)CCN([C@@H]2CCNC2=O)CC1 ZINC001045493577 775700112 /nfs/dbraw/zinc/70/01/12/775700112.db2.gz ZOGTYAANHKFXJL-OAHLLOKOSA-N 1 3 341.415 0.807 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001079807125 776911348 /nfs/dbraw/zinc/91/13/48/776911348.db2.gz KZHHKLRHVUKACB-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)[C@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001079945558 777125219 /nfs/dbraw/zinc/12/52/19/777125219.db2.gz PTTPIAWHOLPKMP-HOTGVXAUSA-N 1 3 336.480 0.480 20 0 ECADHO CCN(C(=O)CN(C)C1CCC1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079966996 777169449 /nfs/dbraw/zinc/16/94/49/777169449.db2.gz RBXAAFMJRBFZJP-AWEZNQCLSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)CN(C)C1CCC1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079966996 777169452 /nfs/dbraw/zinc/16/94/52/777169452.db2.gz RBXAAFMJRBFZJP-AWEZNQCLSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001080141233 777452148 /nfs/dbraw/zinc/45/21/48/777452148.db2.gz AYTGYKSGOCGDKH-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080141233 777452151 /nfs/dbraw/zinc/45/21/51/777452151.db2.gz AYTGYKSGOCGDKH-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001080147717 777466369 /nfs/dbraw/zinc/46/63/69/777466369.db2.gz JNYXNNPSXRGIQB-HOCLYGCPSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001080147717 777466374 /nfs/dbraw/zinc/46/63/74/777466374.db2.gz JNYXNNPSXRGIQB-HOCLYGCPSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001080190445 777524105 /nfs/dbraw/zinc/52/41/05/777524105.db2.gz RGZZHQVNCURUEP-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CN1CCC[C@H]1C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001080557768 778023470 /nfs/dbraw/zinc/02/34/70/778023470.db2.gz DJUBNCUMYAYOOT-OAHLLOKOSA-N 1 3 348.491 0.626 20 0 ECADHO CCN(C(=O)CN1CCC[C@@H]1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080558454 778027665 /nfs/dbraw/zinc/02/76/65/778027665.db2.gz UGWCQQNTCGSDTI-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)CN1CCC[C@@H]1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080558454 778027675 /nfs/dbraw/zinc/02/76/75/778027675.db2.gz UGWCQQNTCGSDTI-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001078478815 779946724 /nfs/dbraw/zinc/94/67/24/779946724.db2.gz MJUPQIMVYBIUBO-INIZCTEOSA-N 1 3 336.436 0.586 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCCO2)cn1 ZINC001078497857 780016901 /nfs/dbraw/zinc/01/69/01/780016901.db2.gz AFETVZLXTDMHMU-MRXNPFEDSA-N 1 3 347.463 0.223 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001077655861 781437259 /nfs/dbraw/zinc/43/72/59/781437259.db2.gz KOSSADZGZCGIQT-RRFJBIMHSA-N 1 3 326.485 0.678 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001077665366 781460049 /nfs/dbraw/zinc/46/00/49/781460049.db2.gz PUEGLHSMFHNHSK-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001077665366 781460051 /nfs/dbraw/zinc/46/00/51/781460051.db2.gz PUEGLHSMFHNHSK-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CNC(=O)CN1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041447366 781536194 /nfs/dbraw/zinc/53/61/94/781536194.db2.gz YDQBOXWFRXSKFO-SFHVURJKSA-N 1 3 341.415 0.618 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001070275520 783780487 /nfs/dbraw/zinc/78/04/87/783780487.db2.gz QHDWWIAFMALOMI-CVEARBPZSA-N 1 3 346.479 0.762 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070567824 784284775 /nfs/dbraw/zinc/28/47/75/784284775.db2.gz JARKRUSUNJYVJU-USXIJHARSA-N 1 3 349.479 0.171 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001070754186 784654083 /nfs/dbraw/zinc/65/40/83/784654083.db2.gz AQJNVDKLHUQJPW-XHSDSOJGSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001070754186 784654091 /nfs/dbraw/zinc/65/40/91/784654091.db2.gz AQJNVDKLHUQJPW-XHSDSOJGSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001070865197 784766295 /nfs/dbraw/zinc/76/62/95/784766295.db2.gz KYWYWALWHXTWJQ-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001070873818 784779139 /nfs/dbraw/zinc/77/91/39/784779139.db2.gz XIAWAENQYFFNBT-WBVHZDCISA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001071254723 784848293 /nfs/dbraw/zinc/84/82/93/784848293.db2.gz RACOKQZRAIUUKC-ZBFHGGJFSA-N 1 3 326.485 0.632 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001072287690 785984915 /nfs/dbraw/zinc/98/49/15/785984915.db2.gz ZTGNGBLYFHVBCY-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001072287690 785984921 /nfs/dbraw/zinc/98/49/21/785984921.db2.gz ZTGNGBLYFHVBCY-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1nncn1C ZINC001072356765 786073260 /nfs/dbraw/zinc/07/32/60/786073260.db2.gz PATZSWASFKYAGM-GDBMZVCRSA-N 1 3 348.495 0.731 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](NC(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001072480340 786250627 /nfs/dbraw/zinc/25/06/27/786250627.db2.gz CSFOETOVPYMOKR-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001074016984 787687322 /nfs/dbraw/zinc/68/73/22/787687322.db2.gz MVAIKJQREFDFEB-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832286 788399223 /nfs/dbraw/zinc/39/92/23/788399223.db2.gz AUQJBWIBAKDIDA-UVPYHEFZSA-N 1 3 336.480 0.526 20 0 ECADHO C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832286 788399236 /nfs/dbraw/zinc/39/92/36/788399236.db2.gz AUQJBWIBAKDIDA-UVPYHEFZSA-N 1 3 336.480 0.526 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001072624073 788455554 /nfs/dbraw/zinc/45/55/54/788455554.db2.gz IQLZQOYPZZBLFM-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001072626454 788462993 /nfs/dbraw/zinc/46/29/93/788462993.db2.gz HWTALRKAOKECHS-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)[C@@H]1C ZINC001074877679 788477001 /nfs/dbraw/zinc/47/70/01/788477001.db2.gz GWWRYVCZIQKZRW-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001072668558 788550369 /nfs/dbraw/zinc/55/03/69/788550369.db2.gz LKBBEGBQNHLCEK-HOCLYGCPSA-N 1 3 338.496 0.633 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001072740868 788683817 /nfs/dbraw/zinc/68/38/17/788683817.db2.gz NEYCQMQADOOXRO-KRWDZBQOSA-N 1 3 343.475 0.759 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001072742496 788691210 /nfs/dbraw/zinc/69/12/10/788691210.db2.gz RDHULHBGIZMLTK-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001072742496 788691213 /nfs/dbraw/zinc/69/12/13/788691213.db2.gz RDHULHBGIZMLTK-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001072742707 788692403 /nfs/dbraw/zinc/69/24/03/788692403.db2.gz UCMOHFWKUNBMBF-SWLSCSKDSA-N 1 3 335.452 0.566 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001072742707 788692409 /nfs/dbraw/zinc/69/24/09/788692409.db2.gz UCMOHFWKUNBMBF-SWLSCSKDSA-N 1 3 335.452 0.566 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072762506 788744102 /nfs/dbraw/zinc/74/41/02/788744102.db2.gz VQUBRVGEJWQOLA-CABCVRRESA-N 1 3 340.512 0.879 20 0 ECADHO C[C@H]1[C@@H](NCc2cccc(C(N)=O)c2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075106466 788914010 /nfs/dbraw/zinc/91/40/10/788914010.db2.gz CWUYENWQOSZOBP-JQFCIGGWSA-N 1 3 344.459 0.816 20 0 ECADHO C[C@H]1[C@@H](NCc2cccc(C(N)=O)c2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075106466 788914020 /nfs/dbraw/zinc/91/40/20/788914020.db2.gz CWUYENWQOSZOBP-JQFCIGGWSA-N 1 3 344.459 0.816 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001075167772 789012449 /nfs/dbraw/zinc/01/24/49/789012449.db2.gz PPAHFNOHCDSDOX-BASYENTBSA-N 1 3 338.496 0.679 20 0 ECADHO CNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001072923236 789122296 /nfs/dbraw/zinc/12/22/96/789122296.db2.gz UUPMPEIGUOBSDP-ZDUSSCGKSA-N 1 3 348.447 0.624 20 0 ECADHO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001072923236 789122300 /nfs/dbraw/zinc/12/23/00/789122300.db2.gz UUPMPEIGUOBSDP-ZDUSSCGKSA-N 1 3 348.447 0.624 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001072983388 789218269 /nfs/dbraw/zinc/21/82/69/789218269.db2.gz UZAMZEJMSGAXLA-KRWDZBQOSA-N 1 3 327.444 0.726 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001072983388 789218275 /nfs/dbraw/zinc/21/82/75/789218275.db2.gz UZAMZEJMSGAXLA-KRWDZBQOSA-N 1 3 327.444 0.726 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]Cc1ccnn1C ZINC001075334649 789227608 /nfs/dbraw/zinc/22/76/08/789227608.db2.gz BDGWJRQFPVIFEB-KBPBESRZSA-N 1 3 330.436 0.960 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001075334652 789227737 /nfs/dbraw/zinc/22/77/37/789227737.db2.gz BDGWJRQFPVIFEB-ZIAGYGMSSA-N 1 3 330.436 0.960 20 0 ECADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001067009067 792565955 /nfs/dbraw/zinc/56/59/55/792565955.db2.gz IAUXAKGRJUXPNR-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001067009067 792565965 /nfs/dbraw/zinc/56/59/65/792565965.db2.gz IAUXAKGRJUXPNR-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CN(CCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)Cc1c[nH]cn1 ZINC001068041975 792596824 /nfs/dbraw/zinc/59/68/24/792596824.db2.gz WXRJRTJOGVLFDT-UHFFFAOYSA-N 1 3 335.452 0.601 20 0 ECADHO CCCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266243817 835550060 /nfs/dbraw/zinc/55/00/60/835550060.db2.gz CKCHXTSUODNTOU-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CCCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266243817 835550062 /nfs/dbraw/zinc/55/00/62/835550062.db2.gz CKCHXTSUODNTOU-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH+]1CCC(C(=O)NCCCN2CCN(CCCF)CC2)CC1 ZINC001266272071 835594454 /nfs/dbraw/zinc/59/44/54/835594454.db2.gz WVFHJMXZOOARGG-UHFFFAOYSA-N 1 3 328.476 0.812 20 0 ECADHO C[C@H](NC(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001266701823 836166620 /nfs/dbraw/zinc/16/66/20/836166620.db2.gz GJUFXZKSKFEFTF-BBRMVZONSA-N 1 3 336.480 0.291 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001267388101 837327715 /nfs/dbraw/zinc/32/77/15/837327715.db2.gz XUSFBHKAYKYZFR-INIZCTEOSA-N 1 3 334.464 0.920 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)n1 ZINC001267953026 838852355 /nfs/dbraw/zinc/85/23/55/838852355.db2.gz BZFRGIAXFNEHKJ-HZPDHXFCSA-N 1 3 334.468 0.570 20 0 ECADHO CCCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001267961062 838872633 /nfs/dbraw/zinc/87/26/33/838872633.db2.gz VDWFSSYWJNTIGA-ARFHVFGLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CNCCS(C)(=O)=O)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268069550 839257142 /nfs/dbraw/zinc/25/71/42/839257142.db2.gz YMANTXBRPYBMCK-UONOGXRCSA-N 1 3 333.498 0.342 20 0 ECADHO C[C@@H](CNCCS(C)(=O)=O)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268069550 839257153 /nfs/dbraw/zinc/25/71/53/839257153.db2.gz YMANTXBRPYBMCK-UONOGXRCSA-N 1 3 333.498 0.342 20 0 ECADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1CCCC1=O)N(C)C ZINC001268086275 839287596 /nfs/dbraw/zinc/28/75/96/839287596.db2.gz XJPTZTUMOUQNPC-GDBMZVCRSA-N 1 3 326.485 0.632 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420024010 282092662 /nfs/dbraw/zinc/09/26/62/282092662.db2.gz AAPZANGVBQSMQW-MRXNPFEDSA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)Cc1ccccc1 ZINC000416858313 282176048 /nfs/dbraw/zinc/17/60/48/282176048.db2.gz YWSZYIZTUHGKCD-IAGOWNOFSA-N 1 3 333.480 0.362 20 0 ECADHO Cn1ccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000354644926 299084753 /nfs/dbraw/zinc/08/47/53/299084753.db2.gz BYXQTJJHLYCECX-UHFFFAOYSA-N 1 3 348.495 0.820 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354700491 299099911 /nfs/dbraw/zinc/09/99/11/299099911.db2.gz WPFRYUXRPFKQPX-IRXDYDNUSA-N 1 3 346.475 0.534 20 0 ECADHO NC(=O)[C@H]1CCCN1CCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425894163 210117943 /nfs/dbraw/zinc/11/79/43/210117943.db2.gz FSNFLMRGZZVULD-MRXNPFEDSA-N 1 3 335.452 0.571 20 0 ECADHO CCS(=O)(=O)N1CC(CNCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425897988 210119077 /nfs/dbraw/zinc/11/90/77/210119077.db2.gz XBPYNHGBIACECM-UHFFFAOYSA-N 1 3 342.465 0.513 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354788073 299127332 /nfs/dbraw/zinc/12/73/32/299127332.db2.gz KUNROWOPMMVYRJ-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)C[C@@H]21 ZINC000410931228 283079713 /nfs/dbraw/zinc/07/97/13/283079713.db2.gz SVLJTTDGMSLGIF-BBWFWOEESA-N 1 3 348.491 0.339 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355297424 299233079 /nfs/dbraw/zinc/23/30/79/299233079.db2.gz KPVPVWNFIMXKLP-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423419308 283231651 /nfs/dbraw/zinc/23/16/51/283231651.db2.gz VQYNSADLXCLBES-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000355885791 299314728 /nfs/dbraw/zinc/31/47/28/299314728.db2.gz BNJBJTJBLNOTEI-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO NC1(CNC(=O)C(=O)N2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000420209524 209341376 /nfs/dbraw/zinc/34/13/76/209341376.db2.gz SYPHRLOXFIUUHF-UHFFFAOYSA-N 1 3 330.432 0.328 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000420115910 209309982 /nfs/dbraw/zinc/30/99/82/209309982.db2.gz GUFSVYIIUPYKCU-CYBMUJFWSA-N 1 3 332.448 0.875 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000420100060 209305810 /nfs/dbraw/zinc/30/58/10/209305810.db2.gz MYEZFBGRQFIZMN-KGLIPLIRSA-N 1 3 326.485 0.857 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)C2CCCC2)C[C@H]1C ZINC000420092192 209302465 /nfs/dbraw/zinc/30/24/65/209302465.db2.gz VNKDNEMNSXYMAR-VNQPRFMTSA-N 1 3 338.496 0.951 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)C2CCCC2)C[C@H]1C ZINC000420092192 209302462 /nfs/dbraw/zinc/30/24/62/209302462.db2.gz VNKDNEMNSXYMAR-VNQPRFMTSA-N 1 3 338.496 0.951 20 0 ECADHO CN1CCN(CCCNC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000324926256 201078552 /nfs/dbraw/zinc/07/85/52/201078552.db2.gz SYEZKCBOUCUUDV-UHFFFAOYSA-N 1 3 333.480 0.780 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000271137912 201243478 /nfs/dbraw/zinc/24/34/78/201243478.db2.gz SPWMTHHBVBJHGE-KRWDZBQOSA-N 1 3 334.464 0.724 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000271137912 201243481 /nfs/dbraw/zinc/24/34/81/201243481.db2.gz SPWMTHHBVBJHGE-KRWDZBQOSA-N 1 3 334.464 0.724 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000420001584 209274178 /nfs/dbraw/zinc/27/41/78/209274178.db2.gz VJEIINCXYABEGT-HNNXBMFYSA-N 1 3 338.496 0.955 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419961685 209260654 /nfs/dbraw/zinc/26/06/54/209260654.db2.gz SVPRDAYBKLMWPX-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419939864 209254629 /nfs/dbraw/zinc/25/46/29/209254629.db2.gz YWJLYAAPTKKLOQ-INIZCTEOSA-N 1 3 344.459 0.889 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419927732 209251802 /nfs/dbraw/zinc/25/18/02/209251802.db2.gz KEGDHOSRQRSGTE-GDBMZVCRSA-N 1 3 332.448 0.603 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419927732 209251805 /nfs/dbraw/zinc/25/18/05/209251805.db2.gz KEGDHOSRQRSGTE-GDBMZVCRSA-N 1 3 332.448 0.603 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(CCN)Cc1ccccc1)C[NH+]1CCCC1 ZINC000419825469 209214836 /nfs/dbraw/zinc/21/48/36/209214836.db2.gz NIYKRIBIQZRIGC-INIZCTEOSA-N 1 3 346.475 0.822 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419772997 209201499 /nfs/dbraw/zinc/20/14/99/209201499.db2.gz IFWADMCJZGBTNE-ZDUSSCGKSA-N 1 3 326.485 0.857 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCc2cccc(C[NH+](C)C)c2)CC1=O ZINC000072859622 203249253 /nfs/dbraw/zinc/24/92/53/203249253.db2.gz BTJBMFOMPJOLHN-QGZVFWFLSA-N 1 3 346.475 0.775 20 0 ECADHO CN1CCCN(CCC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000246025060 205171669 /nfs/dbraw/zinc/17/16/69/205171669.db2.gz KWLIUOGSPOVBJE-JKSUJKDBSA-N 1 3 331.526 0.959 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000419507710 209112032 /nfs/dbraw/zinc/11/20/32/209112032.db2.gz PMKJZQMGDFDWAD-DOTOQJQBSA-N 1 3 344.459 0.478 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000419507710 209112034 /nfs/dbraw/zinc/11/20/34/209112034.db2.gz PMKJZQMGDFDWAD-DOTOQJQBSA-N 1 3 344.459 0.478 20 0 ECADHO CC1CCN(CCNC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000111817859 220197365 /nfs/dbraw/zinc/19/73/65/220197365.db2.gz CVZZFEVFCKGMAB-UHFFFAOYSA-N 1 3 326.485 0.722 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000339576615 297361249 /nfs/dbraw/zinc/36/12/49/297361249.db2.gz RIYOIOAYQZTUNY-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H]1CN1CCCC1 ZINC000237879693 296279701 /nfs/dbraw/zinc/27/97/01/296279701.db2.gz JHGHMCBPYBMNOL-HNNXBMFYSA-N 1 3 332.452 0.903 20 0 ECADHO CNS(=O)(=O)c1cccc([C@H](C)NCCOCC[NH+](C)C)c1 ZINC000447596352 211196211 /nfs/dbraw/zinc/19/62/11/211196211.db2.gz PXZIOKIBLFSDHA-ZDUSSCGKSA-N 1 3 329.466 0.824 20 0 ECADHO CN(CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)C1CC1 ZINC000446052523 211130781 /nfs/dbraw/zinc/13/07/81/211130781.db2.gz LAHGMZBQTSJQTN-UHFFFAOYSA-N 1 3 332.448 0.940 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444267438 211065053 /nfs/dbraw/zinc/06/50/53/211065053.db2.gz GPDCRQHJZZEVIT-MJGOQNOKSA-N 1 3 343.475 0.710 20 0 ECADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357094427 299517443 /nfs/dbraw/zinc/51/74/43/299517443.db2.gz ZPBCDHKGNXBGFX-CZUORRHYSA-N 1 3 336.480 0.420 20 0 ECADHO CC[C@@H](C(=O)NCCN(C(=O)[C@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000413319430 208310468 /nfs/dbraw/zinc/31/04/68/208310468.db2.gz DBJZPCAKYVKCEU-GJZGRUSLSA-N 1 3 326.485 0.774 20 0 ECADHO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cccc(OCCN(C)C)c1 ZINC000414201393 208397173 /nfs/dbraw/zinc/39/71/73/208397173.db2.gz YEEHRDPYZYVWIA-GDBMZVCRSA-N 1 3 333.436 0.930 20 0 ECADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430651833 210394552 /nfs/dbraw/zinc/39/45/52/210394552.db2.gz MGZFPAXZQQEYFC-DOTOQJQBSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419477478 209105254 /nfs/dbraw/zinc/10/52/54/209105254.db2.gz IDBOORXSELKIDM-BZUAXINKSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419030622 208953440 /nfs/dbraw/zinc/95/34/40/208953440.db2.gz UCDGPBJCWPCPQB-KLHDSHLOSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419431685 209093983 /nfs/dbraw/zinc/09/39/83/209093983.db2.gz XPYHVNWNAIVXRJ-BZUAXINKSA-N 1 3 338.496 0.810 20 0 ECADHO C[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000496572153 255111168 /nfs/dbraw/zinc/11/11/68/255111168.db2.gz PGIDXBXIKBQESB-ZDUSSCGKSA-N 1 3 328.457 0.640 20 0 ECADHO C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000496572153 255111169 /nfs/dbraw/zinc/11/11/69/255111169.db2.gz PGIDXBXIKBQESB-ZDUSSCGKSA-N 1 3 328.457 0.640 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419221909 209031016 /nfs/dbraw/zinc/03/10/16/209031016.db2.gz AXSAMFPCFCVZER-DOTOQJQBSA-N 1 3 346.475 0.739 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419224534 209032191 /nfs/dbraw/zinc/03/21/91/209032191.db2.gz FTLMVFLKZZPMEP-OAGGEKHMSA-N 1 3 334.464 0.187 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419229571 209033117 /nfs/dbraw/zinc/03/31/17/209033117.db2.gz OULFPYYPHPWSCC-MRXNPFEDSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419227537 209033452 /nfs/dbraw/zinc/03/34/52/209033452.db2.gz KSBKIDPTHJOSID-ZBFHGGJFSA-N 1 3 336.480 0.483 20 0 ECADHO [NH3+]C1CCC(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419235765 209037779 /nfs/dbraw/zinc/03/77/79/209037779.db2.gz ZLZICCSKSQZICB-GPANFISMSA-N 1 3 336.480 0.753 20 0 ECADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261941091 165266141 /nfs/dbraw/zinc/26/61/41/165266141.db2.gz XNTFHNKVNUAWHG-KBPBESRZSA-N 1 3 344.381 0.509 20 0 ECADHO O=c1cc(CN2CCN(CC3CC[NH2+]CC3)CC2)nc2sccn21 ZINC000262052650 165282698 /nfs/dbraw/zinc/28/26/98/165282698.db2.gz ZTHCSOLUPAUWLF-UHFFFAOYSA-N 1 3 347.488 0.873 20 0 ECADHO CC[C@@H]1CN(CC)CCN1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000458422199 287188683 /nfs/dbraw/zinc/18/86/83/287188683.db2.gz BOPUZBBFUWPQQA-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H]1CN ZINC000418813589 287325493 /nfs/dbraw/zinc/32/54/93/287325493.db2.gz YOZHOILIHOJSGK-CABCVRRESA-N 1 3 338.496 0.810 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000331373560 296923986 /nfs/dbraw/zinc/92/39/86/296923986.db2.gz CTYFVOJNZYRUKF-JYJNAYRXSA-N 1 3 336.480 0.420 20 0 ECADHO C[NH+]1CCC(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000192794411 263166149 /nfs/dbraw/zinc/16/61/49/263166149.db2.gz AQWPWOUIEDAXMX-GOSISDBHSA-N 1 3 346.475 0.799 20 0 ECADHO CN(C)C/C=C/C(=O)NC1CCC(NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000269971365 263215637 /nfs/dbraw/zinc/21/56/37/263215637.db2.gz XLUGQURAADLYNO-KQQUZDAGSA-N 1 3 336.480 0.766 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419416409 276265208 /nfs/dbraw/zinc/26/52/08/276265208.db2.gz GZGADUAJUSRBII-INIZCTEOSA-N 1 3 332.448 0.665 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCN2C)CC1=O ZINC000246329554 276371160 /nfs/dbraw/zinc/37/11/60/276371160.db2.gz AVGYVIHBTDVHAN-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCN2C)CC1=O ZINC000246329554 276371162 /nfs/dbraw/zinc/37/11/62/276371162.db2.gz AVGYVIHBTDVHAN-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000419756317 277023110 /nfs/dbraw/zinc/02/31/10/277023110.db2.gz APGFAGHXPOUQLJ-KRWDZBQOSA-N 1 3 346.475 0.691 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419230722 277026962 /nfs/dbraw/zinc/02/69/62/277026962.db2.gz QJMJLTLOBHSFQS-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000419162891 278196694 /nfs/dbraw/zinc/19/66/94/278196694.db2.gz VOEANTCUJFGUKZ-XHSDSOJGSA-N 1 3 338.496 0.809 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@@H]1CCCN1CCCO ZINC000418620093 278221834 /nfs/dbraw/zinc/22/18/34/278221834.db2.gz QJRKXXUDVVRNGL-LSDHHAIUSA-N 1 3 326.485 0.911 20 0 ECADHO C[C@H]1CCN(C(=O)NC2CCN(CCN(C)C)CC2)C[C@@H]1C[NH3+] ZINC000416980419 278358726 /nfs/dbraw/zinc/35/87/26/278358726.db2.gz UEKIYPPANQQJJX-GJZGRUSLSA-N 1 3 325.501 0.639 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419023930 279135568 /nfs/dbraw/zinc/13/55/68/279135568.db2.gz KLQFKNPCAIYHBL-QLFBSQMISA-N 1 3 326.485 0.713 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)C1CC1 ZINC000419522450 279189489 /nfs/dbraw/zinc/18/94/89/279189489.db2.gz MLZGMMRKINGBFY-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000423199319 279871985 /nfs/dbraw/zinc/87/19/85/279871985.db2.gz JRAZMXIRIOKPJL-HOTGVXAUSA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419081206 288195749 /nfs/dbraw/zinc/19/57/49/288195749.db2.gz RGXIVIXLYRFKRR-CVEARBPZSA-N 1 3 338.496 0.873 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422296577 280097365 /nfs/dbraw/zinc/09/73/65/280097365.db2.gz PAGKYOKPKZYXGU-HUUCEWRRSA-N 1 3 326.485 0.774 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422296577 280097366 /nfs/dbraw/zinc/09/73/66/280097366.db2.gz PAGKYOKPKZYXGU-HUUCEWRRSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419173473 280234425 /nfs/dbraw/zinc/23/44/25/280234425.db2.gz VFQZANSRQYQTOG-SJORKVTESA-N 1 3 346.475 0.737 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])N1CCC(C)CC1 ZINC000419336313 280239844 /nfs/dbraw/zinc/23/98/44/280239844.db2.gz AAWIBHPXABDNII-CABCVRRESA-N 1 3 326.485 0.570 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423366331 280990624 /nfs/dbraw/zinc/99/06/24/280990624.db2.gz CLISVQQTSOWQSO-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)N2CCCN(C3CC3)CC2)CC1 ZINC000179280583 282050843 /nfs/dbraw/zinc/05/08/43/282050843.db2.gz NINRAIJNAAVNCO-UHFFFAOYSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C[C@@H]1[NH+](C)C ZINC000343639029 437609363 /nfs/dbraw/zinc/60/93/63/437609363.db2.gz LCEYNMCOENOQPE-FMKPAKJESA-N 1 3 336.480 0.528 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332113042 297003682 /nfs/dbraw/zinc/00/36/82/297003682.db2.gz CNQIYNFXZAOSKS-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332113042 297003683 /nfs/dbraw/zinc/00/36/83/297003683.db2.gz CNQIYNFXZAOSKS-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332477227 297043181 /nfs/dbraw/zinc/04/31/81/297043181.db2.gz LOOVSYSHZJPQFN-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332477227 297043182 /nfs/dbraw/zinc/04/31/82/297043182.db2.gz LOOVSYSHZJPQFN-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CC2(CN1CC(=O)N1CCN(C(=O)C3CC3)CC1)CC[NH2+]CC2 ZINC000333601134 297144338 /nfs/dbraw/zinc/14/43/38/297144338.db2.gz QLHXHAWJGZKNEP-OAHLLOKOSA-N 1 3 348.491 0.531 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333884949 297154049 /nfs/dbraw/zinc/15/40/49/297154049.db2.gz WZQUVGZFVQHPCM-HNNXBMFYSA-N 1 3 339.484 0.324 20 0 ECADHO CC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000334126765 297164739 /nfs/dbraw/zinc/16/47/39/297164739.db2.gz PZAVWWITPFRCSS-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO CC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000334126765 297164741 /nfs/dbraw/zinc/16/47/41/297164741.db2.gz PZAVWWITPFRCSS-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000337123728 297180330 /nfs/dbraw/zinc/18/03/30/297180330.db2.gz CBTFDSDABYLKGU-UHFFFAOYSA-N 1 3 339.528 0.996 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000339579467 297361520 /nfs/dbraw/zinc/36/15/20/297361520.db2.gz AVYPVGZTMUPCMA-MRXNPFEDSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000339579467 297361522 /nfs/dbraw/zinc/36/15/22/297361522.db2.gz AVYPVGZTMUPCMA-MRXNPFEDSA-N 1 3 340.512 0.929 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339634828 297366842 /nfs/dbraw/zinc/36/68/42/297366842.db2.gz HVTSXTNVTYUDLU-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339634828 297366843 /nfs/dbraw/zinc/36/68/43/297366843.db2.gz HVTSXTNVTYUDLU-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC[N@@H+]1C ZINC000339746528 297377624 /nfs/dbraw/zinc/37/76/24/297377624.db2.gz UFLVICSYHLKXRK-WMLDXEAASA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC[N@H+]1C ZINC000339746528 297377627 /nfs/dbraw/zinc/37/76/27/297377627.db2.gz UFLVICSYHLKXRK-WMLDXEAASA-N 1 3 346.475 0.963 20 0 ECADHO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCN(C)C)CC1 ZINC000340518333 297504988 /nfs/dbraw/zinc/50/49/88/297504988.db2.gz SFFYYFNBNCLGKG-UHFFFAOYSA-N 1 3 336.440 0.156 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCn2cncn2)CC1 ZINC000343493277 297887269 /nfs/dbraw/zinc/88/72/69/297887269.db2.gz JVVNFHBGRUGIDA-UHFFFAOYSA-N 1 3 348.495 0.982 20 0 ECADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000343915960 297956786 /nfs/dbraw/zinc/95/67/86/297956786.db2.gz GDMVQALJNYMUNF-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000344521022 298032017 /nfs/dbraw/zinc/03/20/17/298032017.db2.gz URYOVELNUXMIQJ-CQSZACIVSA-N 1 3 341.500 0.569 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345718284 298187235 /nfs/dbraw/zinc/18/72/35/298187235.db2.gz OHDMZQISPSAOIN-MPGHIAIKSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000346530847 298287835 /nfs/dbraw/zinc/28/78/35/298287835.db2.gz DIZDEHQNICMSOE-DJIMGWMZSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000419162889 298676487 /nfs/dbraw/zinc/67/64/87/298676487.db2.gz VOEANTCUJFGUKZ-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO CN1CCC(NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000360945000 300045315 /nfs/dbraw/zinc/04/53/15/300045315.db2.gz BPQNQIXRJIIKGN-UHFFFAOYSA-N 1 3 348.447 0.776 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C1CCN([C@H]2COC[C@H]2O)CC1 ZINC000361323739 300082732 /nfs/dbraw/zinc/08/27/32/300082732.db2.gz ITKQOTAUGPJIEV-DLBZAZTESA-N 1 3 339.480 0.450 20 0 ECADHO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000362264298 300177191 /nfs/dbraw/zinc/17/71/91/300177191.db2.gz YUXPKMOKWPFTBF-INIZCTEOSA-N 1 3 346.541 0.275 20 0 ECADHO CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000362264298 300177192 /nfs/dbraw/zinc/17/71/92/300177192.db2.gz YUXPKMOKWPFTBF-INIZCTEOSA-N 1 3 346.541 0.275 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000362264298 300177194 /nfs/dbraw/zinc/17/71/94/300177194.db2.gz YUXPKMOKWPFTBF-INIZCTEOSA-N 1 3 346.541 0.275 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000362571044 300200027 /nfs/dbraw/zinc/20/00/27/300200027.db2.gz UUJFFPCLTGYKTH-GJZGRUSLSA-N 1 3 347.463 0.671 20 0 ECADHO CCOC(=O)[C@](C)(O)CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364340608 300347273 /nfs/dbraw/zinc/34/72/73/300347273.db2.gz HDVBLTCSGBAJQM-KLZNWCGWSA-N 1 3 328.453 0.780 20 0 ECADHO CCOC(=O)[C@](C)(O)CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364340608 300347275 /nfs/dbraw/zinc/34/72/75/300347275.db2.gz HDVBLTCSGBAJQM-KLZNWCGWSA-N 1 3 328.453 0.780 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000364468100 300360381 /nfs/dbraw/zinc/36/03/81/300360381.db2.gz OQXNLHIPPHQDMD-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO CN1CCC(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000070726532 435991323 /nfs/dbraw/zinc/99/13/23/435991323.db2.gz IJSCQTJUFQHDII-UHFFFAOYSA-N 1 3 348.447 0.776 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000074105002 436106451 /nfs/dbraw/zinc/10/64/51/436106451.db2.gz WSTKLQKOEJKORF-INIZCTEOSA-N 1 3 339.528 0.901 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCC[N@H+](C)C2CCCCC2)CC1=O ZINC000073086497 436066703 /nfs/dbraw/zinc/06/67/03/436066703.db2.gz SMXSGNLBILHSHX-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCC[N@@H+](C)C2CCCCC2)CC1=O ZINC000073086497 436066707 /nfs/dbraw/zinc/06/67/07/436066707.db2.gz SMXSGNLBILHSHX-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000074676449 436136447 /nfs/dbraw/zinc/13/64/47/436136447.db2.gz JHMATSBRUXWHTQ-JKSUJKDBSA-N 1 3 326.485 0.097 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000373122482 301049108 /nfs/dbraw/zinc/04/91/08/301049108.db2.gz LCNRZQUNKFHNEO-YYIAUSFCSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000373122482 301049109 /nfs/dbraw/zinc/04/91/09/301049109.db2.gz LCNRZQUNKFHNEO-YYIAUSFCSA-N 1 3 336.480 0.975 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)[C@H]2C1 ZINC000376823332 301295199 /nfs/dbraw/zinc/29/51/99/301295199.db2.gz OMUQFZUIZZJBCZ-WBVHZDCISA-N 1 3 337.512 0.748 20 0 ECADHO CN(CCCN(C)CC(=O)N1CCOC[C@@H]1C1CC1)CC[NH+](C)C ZINC000377608926 301364795 /nfs/dbraw/zinc/36/47/95/301364795.db2.gz UYBUMDPHOMRXIW-QGZVFWFLSA-N 1 3 340.512 0.439 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420430993 301466340 /nfs/dbraw/zinc/46/63/40/301466340.db2.gz NSKJWBXKKLQBOS-FZMZJTMJSA-N 1 3 343.497 0.338 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000077817060 436252891 /nfs/dbraw/zinc/25/28/91/436252891.db2.gz LITGEOUABWATGD-CQSZACIVSA-N 1 3 348.447 0.633 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000077817060 436252895 /nfs/dbraw/zinc/25/28/95/436252895.db2.gz LITGEOUABWATGD-CQSZACIVSA-N 1 3 348.447 0.633 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000089833897 436416716 /nfs/dbraw/zinc/41/67/16/436416716.db2.gz IMIQOWQXFJZOHY-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CCOCCOCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050796848 436477739 /nfs/dbraw/zinc/47/77/39/436477739.db2.gz CXYBQSQZOMCSIR-UHFFFAOYSA-N 1 3 327.469 0.714 20 0 ECADHO CCC(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000103212706 436554204 /nfs/dbraw/zinc/55/42/04/436554204.db2.gz SEKCYXMHIQQIKJ-OAHLLOKOSA-N 1 3 326.485 0.587 20 0 ECADHO CC(=O)Nc1nc(C(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000103212344 436554302 /nfs/dbraw/zinc/55/43/02/436554302.db2.gz VHUVHOARSPYLTA-UHFFFAOYSA-N 1 3 327.454 0.667 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC1CC[NH+](C)CC1)N1CCN(C)CC1 ZINC000105105895 436570331 /nfs/dbraw/zinc/57/03/31/436570331.db2.gz ANZSNRVURNKCBH-KRWDZBQOSA-N 1 3 339.528 0.899 20 0 ECADHO O=C(CCN1CCN(c2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195267026 436686182 /nfs/dbraw/zinc/68/61/82/436686182.db2.gz VVNYXDLVPQIZCG-CALCHBBNSA-N 1 3 328.460 0.877 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000237172099 436725356 /nfs/dbraw/zinc/72/53/56/436725356.db2.gz VYHIWTIUINCIHY-SFHVURJKSA-N 1 3 332.448 0.594 20 0 ECADHO C[C@H](CNC(=O)[C@H]1NCCc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000237469664 436736894 /nfs/dbraw/zinc/73/68/94/436736894.db2.gz VHCDEXTZRXDHJX-QAPCUYQASA-N 1 3 330.476 0.873 20 0 ECADHO CNC(=O)c1cccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000153710521 436762052 /nfs/dbraw/zinc/76/20/52/436762052.db2.gz KGUUIFPRHDHYME-UHFFFAOYSA-N 1 3 349.479 0.681 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)[C@@H](C)C1 ZINC000249301557 436818463 /nfs/dbraw/zinc/81/84/63/436818463.db2.gz NRWQYTBWVQQJBN-DZGCQCFKSA-N 1 3 340.468 0.701 20 0 ECADHO CN1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000246025053 436772630 /nfs/dbraw/zinc/77/26/30/436772630.db2.gz KWLIUOGSPOVBJE-HOTGVXAUSA-N 1 3 331.526 0.959 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ncn(-c2ccccc2)n1 ZINC000157626443 436832689 /nfs/dbraw/zinc/83/26/89/436832689.db2.gz OABPYHAODLHDFQ-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)CC1 ZINC000261862305 436892337 /nfs/dbraw/zinc/89/23/37/436892337.db2.gz SHPOCGXOMNPFTP-MSOLQXFVSA-N 1 3 346.475 0.557 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000136197213 436930042 /nfs/dbraw/zinc/93/00/42/436930042.db2.gz BPBIUMYNHLWILW-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000136244903 436930085 /nfs/dbraw/zinc/93/00/85/436930085.db2.gz SUBFMLDFLJHHLZ-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000263275603 436961278 /nfs/dbraw/zinc/96/12/78/436961278.db2.gz YHODERZKZYTHSS-ZFWWWQNUSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000263275603 436961280 /nfs/dbraw/zinc/96/12/80/436961280.db2.gz YHODERZKZYTHSS-ZFWWWQNUSA-N 1 3 326.485 0.713 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000173828615 437065152 /nfs/dbraw/zinc/06/51/52/437065152.db2.gz VSSGBYFYCWITTM-HZPDHXFCSA-N 1 3 327.517 0.899 20 0 ECADHO CN(C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000331437788 437095188 /nfs/dbraw/zinc/09/51/88/437095188.db2.gz BBBFKRUFTHVGJH-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCC(=O)Nc1cccnc1 ZINC000436053737 303372948 /nfs/dbraw/zinc/37/29/48/303372948.db2.gz GQMCCITYPVWFAQ-HNNXBMFYSA-N 1 3 333.436 0.730 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331725148 437151760 /nfs/dbraw/zinc/15/17/60/437151760.db2.gz WPWFKRHSSMNVPI-UGUYLWEFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331725148 437151763 /nfs/dbraw/zinc/15/17/63/437151763.db2.gz WPWFKRHSSMNVPI-UGUYLWEFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)N(C)C1CC1 ZINC000303987642 437156714 /nfs/dbraw/zinc/15/67/14/437156714.db2.gz JIGQLQOETXXPTL-HOCLYGCPSA-N 1 3 326.485 0.861 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CCSC1 ZINC000276749296 437157232 /nfs/dbraw/zinc/15/72/32/437157232.db2.gz CEVUCMQCFDNISM-BBRMVZONSA-N 1 3 337.493 0.975 20 0 ECADHO C[C@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)N(C)C1CC1 ZINC000175732824 437114994 /nfs/dbraw/zinc/11/49/94/437114994.db2.gz FKJIVKFDHHOLOW-CQSZACIVSA-N 1 3 325.501 0.794 20 0 ECADHO CC(C)[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)N1CCN(C)CC1 ZINC000316709674 437188590 /nfs/dbraw/zinc/18/85/90/437188590.db2.gz JZPBCUHVHBTYRK-GJZGRUSLSA-N 1 3 328.526 0.470 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000310912221 437170631 /nfs/dbraw/zinc/17/06/31/437170631.db2.gz PLCLDEAHDJPJEJ-KRWDZBQOSA-N 1 3 344.459 0.447 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000310912221 437170635 /nfs/dbraw/zinc/17/06/35/437170635.db2.gz PLCLDEAHDJPJEJ-KRWDZBQOSA-N 1 3 344.459 0.447 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333358859 437267393 /nfs/dbraw/zinc/26/73/93/437267393.db2.gz KSPFPPGEUQOLKP-IRXDYDNUSA-N 1 3 337.512 0.940 20 0 ECADHO CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)C(=O)OC ZINC000323869749 437224259 /nfs/dbraw/zinc/22/42/59/437224259.db2.gz LHVHGMQAEJIKBX-TTZDDIAXSA-N 1 3 325.453 0.622 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000332647335 437239330 /nfs/dbraw/zinc/23/93/30/437239330.db2.gz STTYVVADDYENDP-CAOSSQGBSA-N 1 3 336.480 0.515 20 0 ECADHO O=C(CNC(=O)N[C@H]1CCC[NH2+]C1)NCCN1CCCCCC1 ZINC000418373970 303625894 /nfs/dbraw/zinc/62/58/94/303625894.db2.gz CHZWTGPLUPVXGM-AWEZNQCLSA-N 1 3 325.457 0.030 20 0 ECADHO CN1CCN(CCNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1(C)C ZINC000333800709 437287526 /nfs/dbraw/zinc/28/75/26/437287526.db2.gz OBFAHIZUCIYWJU-XHSDSOJGSA-N 1 3 337.512 0.781 20 0 ECADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C12CCCN1CCC2 ZINC000423633948 303783807 /nfs/dbraw/zinc/78/38/07/303783807.db2.gz PTEBVIBADOOZHA-GFCCVEGCSA-N 1 3 334.386 0.567 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000185059608 437425536 /nfs/dbraw/zinc/42/55/36/437425536.db2.gz NOAODBILVYWTJK-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1=O ZINC000185140085 437428447 /nfs/dbraw/zinc/42/84/47/437428447.db2.gz ICNRFUKCOFUFHK-UTSKFRMZSA-N 1 3 348.491 0.515 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339636971 437481237 /nfs/dbraw/zinc/48/12/37/437481237.db2.gz BMEIONXBHHUBSC-UHFFFAOYSA-N 1 3 342.484 0.060 20 0 ECADHO C[C@H](NC[C@H](O)CN1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689867 437447887 /nfs/dbraw/zinc/44/78/87/437447887.db2.gz ORHQVFXBTNXHFE-BQFCYCMXSA-N 1 3 325.497 0.922 20 0 ECADHO C[C@H](NC[C@H](O)CN1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185689867 437447890 /nfs/dbraw/zinc/44/78/90/437447890.db2.gz ORHQVFXBTNXHFE-BQFCYCMXSA-N 1 3 325.497 0.922 20 0 ECADHO C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000185689867 437447893 /nfs/dbraw/zinc/44/78/93/437447893.db2.gz ORHQVFXBTNXHFE-BQFCYCMXSA-N 1 3 325.497 0.922 20 0 ECADHO C[C@H](CNC(=O)N[C@@H](C)CCN1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000185827760 437453303 /nfs/dbraw/zinc/45/33/03/437453303.db2.gz XNJYQEMRNQRQBB-LSDHHAIUSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](CNC(=O)N[C@@H](C)CCN1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000185827760 437453304 /nfs/dbraw/zinc/45/33/04/437453304.db2.gz XNJYQEMRNQRQBB-LSDHHAIUSA-N 1 3 325.501 0.794 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](CN)OC)c1 ZINC000290043761 437460151 /nfs/dbraw/zinc/46/01/51/437460151.db2.gz STARIPBRQRCATO-HNNXBMFYSA-N 1 3 336.436 0.670 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000343173544 437526638 /nfs/dbraw/zinc/52/66/38/437526638.db2.gz NUXOJJISNNBGNB-QKPAOTATSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000343173544 437526641 /nfs/dbraw/zinc/52/66/41/437526641.db2.gz NUXOJJISNNBGNB-QKPAOTATSA-N 1 3 338.496 0.822 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340434062 437646111 /nfs/dbraw/zinc/64/61/11/437646111.db2.gz RHEJSQSVABNFFF-CJNGLKHVSA-N 1 3 344.525 0.386 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000340478733 437659233 /nfs/dbraw/zinc/65/92/33/437659233.db2.gz HKUZWPDWLLXDMU-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000340478733 437659239 /nfs/dbraw/zinc/65/92/39/437659239.db2.gz HKUZWPDWLLXDMU-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340479526 437661089 /nfs/dbraw/zinc/66/10/89/437661089.db2.gz RROAYDTXYJOCCI-IKGGRYGDSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340479526 437661094 /nfs/dbraw/zinc/66/10/94/437661094.db2.gz RROAYDTXYJOCCI-IKGGRYGDSA-N 1 3 348.491 0.816 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340479992 437661277 /nfs/dbraw/zinc/66/12/77/437661277.db2.gz JAIYOHFPIRCFSF-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340479992 437661284 /nfs/dbraw/zinc/66/12/84/437661284.db2.gz JAIYOHFPIRCFSF-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CCOC(=O)[C@](C)(O)CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000331046831 437678350 /nfs/dbraw/zinc/67/83/50/437678350.db2.gz GIKZWGMIGGBVNB-WMLDXEAASA-N 1 3 327.469 0.401 20 0 ECADHO CCOC(=O)[C@](C)(O)CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000331046831 437678352 /nfs/dbraw/zinc/67/83/52/437678352.db2.gz GIKZWGMIGGBVNB-WMLDXEAASA-N 1 3 327.469 0.401 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Cc1ccco1 ZINC000344037661 437723436 /nfs/dbraw/zinc/72/34/36/437723436.db2.gz YHAKMKZRWQZIMR-KRWDZBQOSA-N 1 3 334.464 0.950 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1C[N@H+]2CCN1CCC2)Cc1ccco1 ZINC000344037661 437723439 /nfs/dbraw/zinc/72/34/39/437723439.db2.gz YHAKMKZRWQZIMR-KRWDZBQOSA-N 1 3 334.464 0.950 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000340775686 437729269 /nfs/dbraw/zinc/72/92/69/437729269.db2.gz NIAXJQATLRAPQL-PMPSAXMXSA-N 1 3 338.496 0.633 20 0 ECADHO CCCN(CCN1CC[NH+](CC)CC1)CC(=O)N1CCN(C)CC1 ZINC000344135624 437737957 /nfs/dbraw/zinc/73/79/57/437737957.db2.gz SBBGYSLDKOAZML-UHFFFAOYSA-N 1 3 339.528 0.110 20 0 ECADHO CC(C)CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000423755391 437826637 /nfs/dbraw/zinc/82/66/37/437826637.db2.gz DWCYHUPRWMNQBW-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415596726 437827955 /nfs/dbraw/zinc/82/79/55/437827955.db2.gz IKZKXOXVNZUZCZ-CQSZACIVSA-N 1 3 348.447 0.953 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000415299978 437778136 /nfs/dbraw/zinc/77/81/36/437778136.db2.gz ZWSRNDRWOFAQDA-CYBMUJFWSA-N 1 3 334.420 0.434 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000415301266 437778756 /nfs/dbraw/zinc/77/87/56/437778756.db2.gz QAKYEECDMOPFIM-CQSZACIVSA-N 1 3 348.447 0.694 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000341048003 437784252 /nfs/dbraw/zinc/78/42/52/437784252.db2.gz GLUROSFWIJNFHW-HZPDHXFCSA-N 1 3 327.517 0.899 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363425635 437789951 /nfs/dbraw/zinc/78/99/51/437789951.db2.gz FHGVAVDEPUAVQX-IAGOWNOFSA-N 1 3 348.491 0.627 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363425635 437789955 /nfs/dbraw/zinc/78/99/55/437789955.db2.gz FHGVAVDEPUAVQX-IAGOWNOFSA-N 1 3 348.491 0.627 20 0 ECADHO CCN1CC[NH+](CCCCNC(=O)[C@H]2CN(C(C)C)CCO2)CC1 ZINC000370484049 437791170 /nfs/dbraw/zinc/79/11/70/437791170.db2.gz KMPDCSUFIFKTOR-QGZVFWFLSA-N 1 3 340.512 0.630 20 0 ECADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000370650644 437813979 /nfs/dbraw/zinc/81/39/79/437813979.db2.gz FGPIROPBWXAHDB-IKGGRYGDSA-N 1 3 338.496 0.239 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423724707 437814658 /nfs/dbraw/zinc/81/46/58/437814658.db2.gz MWVQJSJLLZEZQZ-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1=O ZINC000423974068 437868504 /nfs/dbraw/zinc/86/85/04/437868504.db2.gz RPGQTZSMURDGKO-IAGOWNOFSA-N 1 3 346.475 0.993 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415952966 437879770 /nfs/dbraw/zinc/87/97/70/437879770.db2.gz LSEQZVCMOHPFEN-ZDUSSCGKSA-N 1 3 335.456 0.738 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415952966 437879772 /nfs/dbraw/zinc/87/97/72/437879772.db2.gz LSEQZVCMOHPFEN-ZDUSSCGKSA-N 1 3 335.456 0.738 20 0 ECADHO CCN(CCO)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000347203739 437852015 /nfs/dbraw/zinc/85/20/15/437852015.db2.gz PXYASYKQFZPEKX-UHFFFAOYSA-N 1 3 342.484 0.245 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000415782746 437857782 /nfs/dbraw/zinc/85/77/82/437857782.db2.gz HDJYZPHOOJKEQO-ZDUSSCGKSA-N 1 3 336.436 0.727 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCN1C(C)=O ZINC000357159582 437925250 /nfs/dbraw/zinc/92/52/50/437925250.db2.gz RNBLWGWFNDUJKT-IAGOWNOFSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCN1C(C)=O ZINC000357159582 437925253 /nfs/dbraw/zinc/92/52/53/437925253.db2.gz RNBLWGWFNDUJKT-IAGOWNOFSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)N(C)C1CC1 ZINC000341938623 437927332 /nfs/dbraw/zinc/92/73/32/437927332.db2.gz DPVLFMSRQQLKOP-YCPHGPKFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)N(C)C1CC1 ZINC000341938623 437927338 /nfs/dbraw/zinc/92/73/38/437927338.db2.gz DPVLFMSRQQLKOP-YCPHGPKFSA-N 1 3 336.480 0.528 20 0 ECADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N[C@@H]3CCCN(CCCO)C3)cc2C1 ZINC000415961299 437883729 /nfs/dbraw/zinc/88/37/29/437883729.db2.gz OKWYANAOOAAWSW-HUUCEWRRSA-N 1 3 347.463 0.866 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@H]([NH3+])Cc3ccccc32)CC1=O ZINC000424081591 437884845 /nfs/dbraw/zinc/88/48/45/437884845.db2.gz VUMATVSMTHIVTA-LSDHHAIUSA-N 1 3 330.432 0.313 20 0 ECADHO O=C(NCCCNCc1cccnc1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424064256 437886007 /nfs/dbraw/zinc/88/60/07/437886007.db2.gz YJPYQTVNCKHPSV-OAHLLOKOSA-N 1 3 343.435 0.507 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000371269746 437908863 /nfs/dbraw/zinc/90/88/63/437908863.db2.gz BNDBGYXZMICLPR-HNNXBMFYSA-N 1 3 348.495 0.629 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000371270972 437909237 /nfs/dbraw/zinc/90/92/37/437909237.db2.gz KQPAUKWHIFMIIN-OAHLLOKOSA-N 1 3 348.495 0.486 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCCC[NH+]3CCCCC3)C[C@H]2N)cn1 ZINC000424450905 437939566 /nfs/dbraw/zinc/93/95/66/437939566.db2.gz BTNUZYHNVITFBP-JKSUJKDBSA-N 1 3 334.468 0.732 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](NC)c2cnn(C)c2)CC1 ZINC000357247851 437945356 /nfs/dbraw/zinc/94/53/56/437945356.db2.gz QHMZLTJZNLBDPC-HOCLYGCPSA-N 1 3 336.484 0.070 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000342020541 437945496 /nfs/dbraw/zinc/94/54/96/437945496.db2.gz OEUPMIKXHSNKOI-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000365664974 437946188 /nfs/dbraw/zinc/94/61/88/437946188.db2.gz DIZZTIIBHYOCCH-MRXNPFEDSA-N 1 3 328.501 0.438 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000365664974 437946193 /nfs/dbraw/zinc/94/61/93/437946193.db2.gz DIZZTIIBHYOCCH-MRXNPFEDSA-N 1 3 328.501 0.438 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000365664974 437946197 /nfs/dbraw/zinc/94/61/97/437946197.db2.gz DIZZTIIBHYOCCH-MRXNPFEDSA-N 1 3 328.501 0.438 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000342029950 437948701 /nfs/dbraw/zinc/94/87/01/437948701.db2.gz YNFMKUOPDGDZJN-MRXNPFEDSA-N 1 3 338.496 0.966 20 0 ECADHO [NH3+][C@H]1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000417033946 438015647 /nfs/dbraw/zinc/01/56/47/438015647.db2.gz ZZAZDTLAJQRGNF-SFHVURJKSA-N 1 3 345.491 0.937 20 0 ECADHO COCCN(C)CCCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417089027 438022317 /nfs/dbraw/zinc/02/23/17/438022317.db2.gz INKPVRHIIKGWLB-HOTGVXAUSA-N 1 3 326.485 0.986 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417195649 438030246 /nfs/dbraw/zinc/03/02/46/438030246.db2.gz OCZMOZGAORQKBJ-IAGOWNOFSA-N 1 3 334.464 0.919 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417195651 438030313 /nfs/dbraw/zinc/03/03/13/438030313.db2.gz OCZMOZGAORQKBJ-SJORKVTESA-N 1 3 334.464 0.919 20 0 ECADHO [NH3+][C@@H]1CCCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417368133 438043296 /nfs/dbraw/zinc/04/32/96/438043296.db2.gz NNEBKYNWPMZWSX-MRXNPFEDSA-N 1 3 346.479 0.726 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417370754 438043561 /nfs/dbraw/zinc/04/35/61/438043561.db2.gz STKFWJIZQSSQJI-CQSZACIVSA-N 1 3 340.493 0.923 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH3+])CCO ZINC000417837131 438082416 /nfs/dbraw/zinc/08/24/16/438082416.db2.gz XJERERUBDGEYAE-WBVHZDCISA-N 1 3 334.464 0.860 20 0 ECADHO C[C@H]1NCCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H]1C ZINC000417951848 438094543 /nfs/dbraw/zinc/09/45/43/438094543.db2.gz NMKQWJVHXKDNTF-ZIAGYGMSSA-N 1 3 335.452 0.914 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417951938 438095620 /nfs/dbraw/zinc/09/56/20/438095620.db2.gz NSDGEUZBBNYGKC-HIFRSBDPSA-N 1 3 335.452 0.819 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000417475600 438053693 /nfs/dbraw/zinc/05/36/93/438053693.db2.gz PKRNCEYWAFCENY-INIZCTEOSA-N 1 3 347.463 0.515 20 0 ECADHO C[C@H](CNC(=O)NCC1([NH3+])CCCCC1)CN1CCN(C)CC1 ZINC000417754883 438076102 /nfs/dbraw/zinc/07/61/02/438076102.db2.gz QEXDQHGSZGEEHV-OAHLLOKOSA-N 1 3 325.501 0.831 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417757301 438076459 /nfs/dbraw/zinc/07/64/59/438076459.db2.gz TXMPJXBRNIZHRC-HNNXBMFYSA-N 1 3 325.501 0.701 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369442 438079072 /nfs/dbraw/zinc/07/90/72/438079072.db2.gz YQFZFHLGLHMVHB-ZFWWWQNUSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@H]1CCN[C@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1 ZINC000417783410 438080003 /nfs/dbraw/zinc/08/00/03/438080003.db2.gz NDINDVQSJRQADW-FZMZJTMJSA-N 1 3 340.449 0.250 20 0 ECADHO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000372842781 438113046 /nfs/dbraw/zinc/11/30/46/438113046.db2.gz QJPYPIKLHMFHDL-KRWDZBQOSA-N 1 3 338.496 0.382 20 0 ECADHO CN1CCC[C@H]1C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000357974107 438113222 /nfs/dbraw/zinc/11/32/22/438113222.db2.gz MJMGSSIMOOQMOV-ZACQAIPSSA-N 1 3 348.491 0.767 20 0 ECADHO CN1CCC[C@H]1C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000357974107 438113228 /nfs/dbraw/zinc/11/32/28/438113228.db2.gz MJMGSSIMOOQMOV-ZACQAIPSSA-N 1 3 348.491 0.767 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000357977364 438113656 /nfs/dbraw/zinc/11/36/56/438113656.db2.gz VDBKJXBSCSXHCD-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO Cc1nccn1CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000357983600 438117082 /nfs/dbraw/zinc/11/70/82/438117082.db2.gz UAMPDVNDIHRFRW-AWEZNQCLSA-N 1 3 335.452 0.544 20 0 ECADHO CN(C)CCOc1cnccc1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418196523 438118537 /nfs/dbraw/zinc/11/85/37/438118537.db2.gz RDXVMNNGWCLKAI-OAHLLOKOSA-N 1 3 335.452 0.963 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418366928 438135826 /nfs/dbraw/zinc/13/58/26/438135826.db2.gz KOSRJVZKRNFCND-BZSNNMDCSA-N 1 3 346.475 0.921 20 0 ECADHO O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418388322 438139326 /nfs/dbraw/zinc/13/93/26/438139326.db2.gz UURRPKGJPWHOHM-KZNAEPCWSA-N 1 3 346.475 0.921 20 0 ECADHO CC(C)([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418427691 438141960 /nfs/dbraw/zinc/14/19/60/438141960.db2.gz LKNLSEHUEQMYRA-CVEARBPZSA-N 1 3 334.464 0.906 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418728702 438177832 /nfs/dbraw/zinc/17/78/32/438177832.db2.gz NKAAACZSMQVBFV-HOTGVXAUSA-N 1 3 349.479 0.312 20 0 ECADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418729950 438178442 /nfs/dbraw/zinc/17/84/42/438178442.db2.gz RQBLDEBTBHHYQX-OTRWWLKZSA-N 1 3 334.464 0.904 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000349776330 438179383 /nfs/dbraw/zinc/17/93/83/438179383.db2.gz MKILSHAEQWUDKI-UHFFFAOYSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C(=O)NCCN(C)C ZINC000418770113 438185560 /nfs/dbraw/zinc/18/55/60/438185560.db2.gz QMWQZNQRXZOJJG-ILXRZTDVSA-N 1 3 341.500 0.506 20 0 ECADHO O=C(N[C@H]1CCC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418502291 438150943 /nfs/dbraw/zinc/15/09/43/438150943.db2.gz UURRPKGJPWHOHM-BZSNNMDCSA-N 1 3 346.475 0.921 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418876520 438232374 /nfs/dbraw/zinc/23/23/74/438232374.db2.gz MLXPUPSIVUFRHR-JKSUJKDBSA-N 1 3 332.448 0.129 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418881830 438234351 /nfs/dbraw/zinc/23/43/51/438234351.db2.gz XZECUYBPRLYWNK-IRXDYDNUSA-N 1 3 346.475 0.534 20 0 ECADHO CC(C)[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N1CCc2ccccc2C1 ZINC000432531133 438200107 /nfs/dbraw/zinc/20/01/07/438200107.db2.gz NKLKNQMVDXKGQE-RCCFBDPRSA-N 1 3 331.460 0.908 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000418958192 438264161 /nfs/dbraw/zinc/26/41/61/438264161.db2.gz FRZKSWKSISOLLB-NVXWUHKLSA-N 1 3 346.475 0.691 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000418961922 438265921 /nfs/dbraw/zinc/26/59/21/438265921.db2.gz KGAHJDSDKDWPQX-YQQAZPJKSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N(C)Cc1ccccc1 ZINC000418961920 438266528 /nfs/dbraw/zinc/26/65/28/438266528.db2.gz KGAHJDSDKDWPQX-HLLBOEOZSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418985420 438273896 /nfs/dbraw/zinc/27/38/96/438273896.db2.gz MWZSEGVPUBJRNG-XJKSGUPXSA-N 1 3 332.448 0.479 20 0 ECADHO CN(CCCNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418989190 438274959 /nfs/dbraw/zinc/27/49/59/438274959.db2.gz BTBXYFFREOLMIO-INIZCTEOSA-N 1 3 332.448 0.432 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418992409 438274969 /nfs/dbraw/zinc/27/49/69/438274969.db2.gz FWPSPEQSQWMUQY-KBPBESRZSA-N 1 3 340.468 0.208 20 0 ECADHO CN(CCCNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419006058 438281556 /nfs/dbraw/zinc/28/15/56/438281556.db2.gz SJQVYDXAOJYSBO-IAGOWNOFSA-N 1 3 346.475 0.868 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000419007618 438283033 /nfs/dbraw/zinc/28/30/33/438283033.db2.gz URTAPISDAUKJAJ-WBVHZDCISA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000419020846 438292193 /nfs/dbraw/zinc/29/21/93/438292193.db2.gz GEYNVLFPTIAOPA-XFIYOXNOSA-N 1 3 338.496 0.665 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000419024344 438294250 /nfs/dbraw/zinc/29/42/50/438294250.db2.gz KPFUFONFMGGFNJ-JYJNAYRXSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419097274 438319314 /nfs/dbraw/zinc/31/93/14/438319314.db2.gz DMVFHJHWSWKZHH-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC[NH3+] ZINC000419101095 438321542 /nfs/dbraw/zinc/32/15/42/438321542.db2.gz HIKHOLFZRHGOSF-OAHLLOKOSA-N 1 3 332.448 0.478 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000351734077 438329193 /nfs/dbraw/zinc/32/91/93/438329193.db2.gz LKRPJLCKGAQBAR-ZACQAIPSSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000351734077 438329198 /nfs/dbraw/zinc/32/91/98/438329198.db2.gz LKRPJLCKGAQBAR-ZACQAIPSSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCN(C(=O)CCN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000368481924 438335328 /nfs/dbraw/zinc/33/53/28/438335328.db2.gz HYPQGIREIJYFIN-GVDBMIGSSA-N 1 3 338.496 0.334 20 0 ECADHO CC(C)N1CCC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1=O ZINC000358995659 438342793 /nfs/dbraw/zinc/34/27/93/438342793.db2.gz RJDMVZILEXJZGW-KRWDZBQOSA-N 1 3 340.512 0.366 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419030625 438297246 /nfs/dbraw/zinc/29/72/46/438297246.db2.gz UCDGPBJCWPCPQB-XUWVNRHRSA-N 1 3 338.496 0.727 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419073797 438311379 /nfs/dbraw/zinc/31/13/79/438311379.db2.gz CSFVQQALOTUWNP-ARFHVFGLSA-N 1 3 338.496 0.871 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419081209 438313001 /nfs/dbraw/zinc/31/30/01/438313001.db2.gz RGXIVIXLYRFKRR-JKSUJKDBSA-N 1 3 338.496 0.873 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419081885 438315378 /nfs/dbraw/zinc/31/53/78/438315378.db2.gz SRAVHAMHBKGHQG-OAHLLOKOSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000358853359 438316552 /nfs/dbraw/zinc/31/65/52/438316552.db2.gz OINPTVGGXYVIEH-AWEZNQCLSA-N 1 3 328.501 0.878 20 0 ECADHO C[C@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000358864147 438317858 /nfs/dbraw/zinc/31/78/58/438317858.db2.gz JWDFEOMPCYNDLW-RHSMWYFYSA-N 1 3 336.455 0.868 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C1CC1 ZINC000359263794 438394645 /nfs/dbraw/zinc/39/46/45/438394645.db2.gz OKPNUOQPKMDWNI-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CC[C@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)C[C@@H]21 ZINC000378463129 438390583 /nfs/dbraw/zinc/39/05/83/438390583.db2.gz ZXOSIEFTKNTGEX-RDJZCZTQSA-N 1 3 337.512 0.748 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000419168686 438348515 /nfs/dbraw/zinc/34/85/15/438348515.db2.gz QNBVCDOLXWCMEG-QGZVFWFLSA-N 1 3 348.491 0.937 20 0 ECADHO CCN(CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)C1CC1 ZINC000359252260 438393950 /nfs/dbraw/zinc/39/39/50/438393950.db2.gz OSKRXKWSSNZJDL-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N1CCC(C)CC1 ZINC000419370280 438356407 /nfs/dbraw/zinc/35/64/07/438356407.db2.gz JNXJZNBKUHRMAP-JKSUJKDBSA-N 1 3 338.496 0.713 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000419762578 438371168 /nfs/dbraw/zinc/37/11/68/438371168.db2.gz MEGQXSUXVKCYHI-WMLDXEAASA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420013785 438381633 /nfs/dbraw/zinc/38/16/33/438381633.db2.gz JMTGCMFMIFINEC-XUWVNRHRSA-N 1 3 338.496 0.999 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420085573 438385902 /nfs/dbraw/zinc/38/59/02/438385902.db2.gz NQQXVSFBJQTBFQ-GDBMZVCRSA-N 1 3 338.496 0.714 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420085573 438385904 /nfs/dbraw/zinc/38/59/04/438385904.db2.gz NQQXVSFBJQTBFQ-GDBMZVCRSA-N 1 3 338.496 0.714 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420081439 438386786 /nfs/dbraw/zinc/38/67/86/438386786.db2.gz IBKUOJISBJUZGB-HOCLYGCPSA-N 1 3 338.496 0.810 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420081439 438386790 /nfs/dbraw/zinc/38/67/90/438386790.db2.gz IBKUOJISBJUZGB-HOCLYGCPSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000389889637 438430565 /nfs/dbraw/zinc/43/05/65/438430565.db2.gz UXNFDYNRCRLDSD-ZFWWWQNUSA-N 1 3 328.420 0.487 20 0 ECADHO CC(C)OC(=O)CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000420327246 438398718 /nfs/dbraw/zinc/39/87/18/438398718.db2.gz YJEZQFRJRVPRAT-CABCVRRESA-N 1 3 325.453 0.908 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN[C@H]2CC[NH2+]CC2(C)C)C1 ZINC000420360908 438401392 /nfs/dbraw/zinc/40/13/92/438401392.db2.gz LQALYHFTSUGEJG-HOTGVXAUSA-N 1 3 340.512 0.437 20 0 ECADHO O[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)CN1CCCC1 ZINC000382250317 438413584 /nfs/dbraw/zinc/41/35/84/438413584.db2.gz LDXXNMZZTQCXBH-MOPGFXCFSA-N 1 3 333.476 0.934 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000421541698 438491296 /nfs/dbraw/zinc/49/12/96/438491296.db2.gz BQXIAVFQKVRNIQ-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000421541698 438491301 /nfs/dbraw/zinc/49/13/01/438491301.db2.gz BQXIAVFQKVRNIQ-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO C[NH+](C)C1(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CCOCC1 ZINC000369921325 438528832 /nfs/dbraw/zinc/52/88/32/438528832.db2.gz WFGZYVCOHJBHGL-HBUWYVDXSA-N 1 3 339.480 0.746 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000422419378 438564755 /nfs/dbraw/zinc/56/47/55/438564755.db2.gz XZODXXLMNKKMDD-YCPHGPKFSA-N 1 3 336.480 0.669 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000422419378 438564758 /nfs/dbraw/zinc/56/47/58/438564758.db2.gz XZODXXLMNKKMDD-YCPHGPKFSA-N 1 3 336.480 0.669 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000422970518 438621844 /nfs/dbraw/zinc/62/18/44/438621844.db2.gz GNFCFJVFGSSVMU-XJKSGUPXSA-N 1 3 332.448 0.875 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1)C(C)C ZINC000410677348 438627044 /nfs/dbraw/zinc/62/70/44/438627044.db2.gz RHCRZAXACPVDSK-CVEARBPZSA-N 1 3 340.512 0.972 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000423061784 438634199 /nfs/dbraw/zinc/63/41/99/438634199.db2.gz LOCZEPNJPPCWGD-AWEZNQCLSA-N 1 3 326.485 0.618 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000423128575 438640930 /nfs/dbraw/zinc/64/09/30/438640930.db2.gz LCMZQPBGWCGSOX-MRXNPFEDSA-N 1 3 340.512 0.881 20 0 ECADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000423146600 438643163 /nfs/dbraw/zinc/64/31/63/438643163.db2.gz AXWVYCCWBJVSBB-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000423255172 438653302 /nfs/dbraw/zinc/65/33/02/438653302.db2.gz BBRLKRTUNGFGLT-UHFFFAOYSA-N 1 3 348.491 0.953 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CCSC1 ZINC000423336820 438663342 /nfs/dbraw/zinc/66/33/42/438663342.db2.gz JUFCQLSHXMDEPZ-ZBFHGGJFSA-N 1 3 337.493 0.975 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410882351 438665910 /nfs/dbraw/zinc/66/59/10/438665910.db2.gz FGIAUURDINPLFL-JKSUJKDBSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410882351 438665915 /nfs/dbraw/zinc/66/59/15/438665915.db2.gz FGIAUURDINPLFL-JKSUJKDBSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000423379042 438669417 /nfs/dbraw/zinc/66/94/17/438669417.db2.gz GGHGHRPQQYKIAU-YOEHRIQHSA-N 1 3 346.475 0.982 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)N(C)C1CC1 ZINC000414878068 438719770 /nfs/dbraw/zinc/71/97/70/438719770.db2.gz NFBPYZMWKLZGLB-GFCCVEGCSA-N 1 3 334.420 0.562 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000575780101 438755372 /nfs/dbraw/zinc/75/53/72/438755372.db2.gz VVMODDSKZSACGT-NVXWUHKLSA-N 1 3 332.448 0.893 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000575780101 438755374 /nfs/dbraw/zinc/75/53/74/438755374.db2.gz VVMODDSKZSACGT-NVXWUHKLSA-N 1 3 332.448 0.893 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[NH2+]CCc2ccc3c(c2)OCCO3)C1 ZINC000415090593 438730500 /nfs/dbraw/zinc/73/05/00/438730500.db2.gz YDMCOMBHBUBBHA-HNNXBMFYSA-N 1 3 333.432 0.787 20 0 ECADHO Cc1ncc2n1C[C@@H](C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)CC2 ZINC000553221662 438748073 /nfs/dbraw/zinc/74/80/73/438748073.db2.gz LMMLJNDDLLFMKT-ZBFHGGJFSA-N 1 3 333.480 0.896 20 0 ECADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)N(C)CC(F)(F)F ZINC000554515940 438766302 /nfs/dbraw/zinc/76/63/02/438766302.db2.gz PIMOLQDPJLTXBK-GFCCVEGCSA-N 1 3 326.407 0.821 20 0 ECADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000514616443 438817250 /nfs/dbraw/zinc/81/72/50/438817250.db2.gz OZYABBDXPCCUIA-MCIONIFRSA-N 1 3 325.457 0.060 20 0 ECADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000514616443 438817253 /nfs/dbraw/zinc/81/72/53/438817253.db2.gz OZYABBDXPCCUIA-MCIONIFRSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000577165595 438818800 /nfs/dbraw/zinc/81/88/00/438818800.db2.gz NPRLVXGZGKRDNO-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C)C(=O)C3)CC2)CC1 ZINC000514623091 438820323 /nfs/dbraw/zinc/82/03/23/438820323.db2.gz YCJXRMBEANAJKM-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000564968227 438896236 /nfs/dbraw/zinc/89/62/36/438896236.db2.gz UMZFITAHHUHZDX-FZMZJTMJSA-N 1 3 343.497 0.419 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000564994302 438901999 /nfs/dbraw/zinc/90/19/99/438901999.db2.gz OUPUMQRVXRPFOB-OAHLLOKOSA-N 1 3 325.453 0.910 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000515233279 438857513 /nfs/dbraw/zinc/85/75/13/438857513.db2.gz UHRIXFKVJDNSJW-JONQDZQNSA-N 1 3 334.464 0.140 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@H+](C)CCOC)CC1 ZINC000458226832 438866178 /nfs/dbraw/zinc/86/61/78/438866178.db2.gz CRNUWQKVPGJVNN-UHFFFAOYSA-N 1 3 343.516 0.280 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000458226832 438866180 /nfs/dbraw/zinc/86/61/80/438866180.db2.gz CRNUWQKVPGJVNN-UHFFFAOYSA-N 1 3 343.516 0.280 20 0 ECADHO C[NH+]1CCC(CCNC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000458287045 438869506 /nfs/dbraw/zinc/86/95/06/438869506.db2.gz PEMIJPDFLAEWKC-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO CC[C@@H]1CN(CC)CCN1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000458422201 438884287 /nfs/dbraw/zinc/88/42/87/438884287.db2.gz BOPUZBBFUWPQQA-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)CCCN2CCN(C)CC2)C1(C)C ZINC000564930174 438889521 /nfs/dbraw/zinc/88/95/21/438889521.db2.gz IHKRXAUKYCZDMX-QAPCUYQASA-N 1 3 340.512 0.615 20 0 ECADHO C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)NCCN(C)C ZINC000578520724 438930127 /nfs/dbraw/zinc/93/01/27/438930127.db2.gz AXTZHZWXHGIOJJ-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CN1C1CC1 ZINC000517022645 438946141 /nfs/dbraw/zinc/94/61/41/438946141.db2.gz WODFFJMROWLIFK-VYDXJSESSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@@H]1CCC[C@](CNC[C@@H](O)CN2CCN(C)CC2)([NH+](C)C)C1 ZINC000565409049 438949391 /nfs/dbraw/zinc/94/93/91/438949391.db2.gz DZUDIPHEVOVFLL-KURKYZTESA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H]1CCC[C@](C[NH2+]C[C@@H](O)CN2CCN(C)CC2)(N(C)C)C1 ZINC000565409049 438949395 /nfs/dbraw/zinc/94/93/95/438949395.db2.gz DZUDIPHEVOVFLL-KURKYZTESA-N 1 3 326.529 0.695 20 0 ECADHO COC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596693060 438990135 /nfs/dbraw/zinc/99/01/35/438990135.db2.gz QRNYKCLBHNJUNL-GJZGRUSLSA-N 1 3 342.484 0.853 20 0 ECADHO COC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596693060 438990139 /nfs/dbraw/zinc/99/01/39/438990139.db2.gz QRNYKCLBHNJUNL-GJZGRUSLSA-N 1 3 342.484 0.853 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000518514634 439002326 /nfs/dbraw/zinc/00/23/26/439002326.db2.gz DTEKLAFOMZLLMY-BIVLZKPYSA-N 1 3 348.491 0.657 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000602063282 439004953 /nfs/dbraw/zinc/00/49/53/439004953.db2.gz FONRKHJAFJZOJP-CQSZACIVSA-N 1 3 325.453 0.720 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000602063282 439004956 /nfs/dbraw/zinc/00/49/56/439004956.db2.gz FONRKHJAFJZOJP-CQSZACIVSA-N 1 3 325.453 0.720 20 0 ECADHO CN1CCC(C[NH2+]C[C@H](O)C(F)(F)F)(N2CCOCC2)CC1 ZINC000566118720 439007249 /nfs/dbraw/zinc/00/72/49/439007249.db2.gz GLPPLIBBBUVODU-LBPRGKRZSA-N 1 3 325.375 0.296 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000518753918 439008210 /nfs/dbraw/zinc/00/82/10/439008210.db2.gz WYDVCHWXTJFVNO-HOTGVXAUSA-N 1 3 334.464 0.141 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000460020481 439057242 /nfs/dbraw/zinc/05/72/42/439057242.db2.gz DAAPEJJUFZZSRZ-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000579580867 439020230 /nfs/dbraw/zinc/02/02/30/439020230.db2.gz UEUPAZOBPYXJEZ-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000459910892 439031062 /nfs/dbraw/zinc/03/10/62/439031062.db2.gz SYEPBXFIJDZCEX-SFHVURJKSA-N 1 3 338.496 0.587 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000459910892 439031065 /nfs/dbraw/zinc/03/10/65/439031065.db2.gz SYEPBXFIJDZCEX-SFHVURJKSA-N 1 3 338.496 0.587 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000459909419 439032068 /nfs/dbraw/zinc/03/20/68/439032068.db2.gz RIWZNJKPFPCONI-UHFFFAOYSA-N 1 3 340.512 0.833 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000459913407 439033554 /nfs/dbraw/zinc/03/35/54/439033554.db2.gz WKLRPRLQTZZXKM-MRXNPFEDSA-N 1 3 340.512 0.833 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459913407 439033560 /nfs/dbraw/zinc/03/35/60/439033560.db2.gz WKLRPRLQTZZXKM-MRXNPFEDSA-N 1 3 340.512 0.833 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000567147087 439118417 /nfs/dbraw/zinc/11/84/17/439118417.db2.gz NDIKVGPHOWRRNK-CVEARBPZSA-N 1 3 325.501 0.925 20 0 ECADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000567147087 439118421 /nfs/dbraw/zinc/11/84/21/439118421.db2.gz NDIKVGPHOWRRNK-CVEARBPZSA-N 1 3 325.501 0.925 20 0 ECADHO COCCN1CC[C@@H](NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000521040041 439102847 /nfs/dbraw/zinc/10/28/47/439102847.db2.gz XMIUDPTWHNAPRZ-WBVHZDCISA-N 1 3 332.448 0.975 20 0 ECADHO [NH3+]CCCCn1cc(C(=O)NC[C@H]2NCCc3ccccc32)nn1 ZINC000567109507 439113097 /nfs/dbraw/zinc/11/30/97/439113097.db2.gz LRFHUHJQWAPRRT-OAHLLOKOSA-N 1 3 328.420 0.634 20 0 ECADHO C[C@@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C1=CCN(C)CC1 ZINC000567709969 439169551 /nfs/dbraw/zinc/16/95/51/439169551.db2.gz DYFKGXYMDPCGOD-UKRRQHHQSA-N 1 3 343.427 0.884 20 0 ECADHO C[C@@H]([NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)C1=CCN(C)CC1 ZINC000567709968 439170493 /nfs/dbraw/zinc/17/04/93/439170493.db2.gz DYFKGXYMDPCGOD-HIFRSBDPSA-N 1 3 343.427 0.884 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567180691 439121014 /nfs/dbraw/zinc/12/10/14/439121014.db2.gz QYCMPBQVAGGEOQ-RBSFLKMASA-N 1 3 337.468 0.060 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567180691 439121019 /nfs/dbraw/zinc/12/10/19/439121019.db2.gz QYCMPBQVAGGEOQ-RBSFLKMASA-N 1 3 337.468 0.060 20 0 ECADHO C[C@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000567262527 439128841 /nfs/dbraw/zinc/12/88/41/439128841.db2.gz SLUSWJKVKBFGNY-DLBZAZTESA-N 1 3 326.529 0.695 20 0 ECADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000567262527 439128844 /nfs/dbraw/zinc/12/88/44/439128844.db2.gz SLUSWJKVKBFGNY-DLBZAZTESA-N 1 3 326.529 0.695 20 0 ECADHO C[C@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000567262527 439128850 /nfs/dbraw/zinc/12/88/50/439128850.db2.gz SLUSWJKVKBFGNY-DLBZAZTESA-N 1 3 326.529 0.695 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000567455404 439142264 /nfs/dbraw/zinc/14/22/64/439142264.db2.gz LTVZPEBWCNWDOB-ZDUSSCGKSA-N 1 3 347.454 0.699 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000522288388 439152806 /nfs/dbraw/zinc/15/28/06/439152806.db2.gz GYAHGODLNBMUAT-OAHLLOKOSA-N 1 3 349.479 0.173 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000522288388 439152811 /nfs/dbraw/zinc/15/28/11/439152811.db2.gz GYAHGODLNBMUAT-OAHLLOKOSA-N 1 3 349.479 0.173 20 0 ECADHO COc1ccc(CCNC[C@H]2CCC[NH2+]C2)cc1S(N)(=O)=O ZINC000567588810 439155320 /nfs/dbraw/zinc/15/53/20/439155320.db2.gz KKQSCEBCQJHBMT-ZDUSSCGKSA-N 1 3 327.450 0.474 20 0 ECADHO CN1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H](CN)C1 ZINC000568847611 439281271 /nfs/dbraw/zinc/28/12/71/439281271.db2.gz SDGIOQOCADOEMA-MRXNPFEDSA-N 1 3 325.501 0.925 20 0 ECADHO CN1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H](CN)C1 ZINC000568847611 439281272 /nfs/dbraw/zinc/28/12/72/439281272.db2.gz SDGIOQOCADOEMA-MRXNPFEDSA-N 1 3 325.501 0.925 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)COC2CC[NH2+]CC2)CC1 ZINC000568263456 439233300 /nfs/dbraw/zinc/23/33/00/439233300.db2.gz WJIDVFWWADOSFY-HNNXBMFYSA-N 1 3 326.485 0.145 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000592560279 439255298 /nfs/dbraw/zinc/25/52/98/439255298.db2.gz KYLOEHJXMYAJQD-UHFFFAOYSA-N 1 3 341.452 0.146 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000582363382 439325113 /nfs/dbraw/zinc/32/51/13/439325113.db2.gz UCAUQHFARIIHMZ-QYZOEREBSA-N 1 3 333.476 0.571 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000582363382 439325117 /nfs/dbraw/zinc/32/51/17/439325117.db2.gz UCAUQHFARIIHMZ-QYZOEREBSA-N 1 3 333.476 0.571 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000582363382 439325120 /nfs/dbraw/zinc/32/51/20/439325120.db2.gz UCAUQHFARIIHMZ-QYZOEREBSA-N 1 3 333.476 0.571 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(=O)N(C)C)CC2)CC1 ZINC000569393041 439330850 /nfs/dbraw/zinc/33/08/50/439330850.db2.gz MJWMRVOKDZMLHT-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000582052223 439285006 /nfs/dbraw/zinc/28/50/06/439285006.db2.gz YKBJALBYFPRWFI-FUHWJXTLSA-N 1 3 345.491 0.854 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568853438 439285532 /nfs/dbraw/zinc/28/55/32/439285532.db2.gz XBYAASRGDDEJQU-SJCJKPOMSA-N 1 3 342.443 0.870 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000582606328 439356715 /nfs/dbraw/zinc/35/67/15/439356715.db2.gz OAMSBESKPIFCIA-OLZOCXBDSA-N 1 3 336.436 0.808 20 0 ECADHO CC(C)(CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000582616940 439358582 /nfs/dbraw/zinc/35/85/82/439358582.db2.gz IFJARXDQYNUQOC-KGLIPLIRSA-N 1 3 337.468 0.204 20 0 ECADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000582719657 439371412 /nfs/dbraw/zinc/37/14/12/439371412.db2.gz AVUAUVGHRBRRNF-DOTOQJQBSA-N 1 3 333.480 0.690 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@@H]1CN)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582775047 439379059 /nfs/dbraw/zinc/37/90/59/439379059.db2.gz LSHJXIABCCWJIM-ZOBUZTSGSA-N 1 3 337.512 0.924 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@@H]1CN)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582775047 439379064 /nfs/dbraw/zinc/37/90/64/439379064.db2.gz LSHJXIABCCWJIM-ZOBUZTSGSA-N 1 3 337.512 0.924 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)(C)C ZINC000582856310 439390989 /nfs/dbraw/zinc/39/09/89/439390989.db2.gz IBQGKHCJLMYEBK-MCIONIFRSA-N 1 3 339.484 0.306 20 0 ECADHO CN1CCN(CCCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000605955569 439394269 /nfs/dbraw/zinc/39/42/69/439394269.db2.gz JVPTXZHXQOYCDD-INIZCTEOSA-N 1 3 337.512 0.798 20 0 ECADHO CN1CCN(CCCCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000605955569 439394273 /nfs/dbraw/zinc/39/42/73/439394273.db2.gz JVPTXZHXQOYCDD-INIZCTEOSA-N 1 3 337.512 0.798 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000570035835 439385693 /nfs/dbraw/zinc/38/56/93/439385693.db2.gz ZZKKWQWGKPXHMB-HUUCEWRRSA-N 1 3 338.496 0.905 20 0 ECADHO NC[C@H]1C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CCCO1 ZINC000583207483 439435126 /nfs/dbraw/zinc/43/51/26/439435126.db2.gz RHYRJHBIEUDBAV-INIZCTEOSA-N 1 3 347.463 0.170 20 0 ECADHO NC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CCCO1 ZINC000583207483 439435133 /nfs/dbraw/zinc/43/51/33/439435133.db2.gz RHYRJHBIEUDBAV-INIZCTEOSA-N 1 3 347.463 0.170 20 0 ECADHO CN1CCC(O)(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000607167069 439442365 /nfs/dbraw/zinc/44/23/65/439442365.db2.gz HKRGUWDSGSGKQL-UHFFFAOYSA-N 1 3 327.450 0.604 20 0 ECADHO COC(=O)CCN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)[C@@H](C)C1 ZINC000571203772 439483679 /nfs/dbraw/zinc/48/36/79/439483679.db2.gz GTECMSWIIOSNRL-STQMWFEESA-N 1 3 349.435 0.196 20 0 ECADHO CN(C)C/C=C\C(=O)N1CCC[C@H]2CN(C(=O)/C=C/C[NH+](C)C)C[C@H]21 ZINC000492057223 439487994 /nfs/dbraw/zinc/48/79/94/439487994.db2.gz KQIBYGVKDFJKEL-XONHBZOCSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C)C/C=C/C(=O)N1C[C@@H]2CCCN(C(=O)/C=C\C[NH+](C)C)[C@@H]2C1 ZINC000492057223 439487999 /nfs/dbraw/zinc/48/79/99/439487999.db2.gz KQIBYGVKDFJKEL-XONHBZOCSA-N 1 3 348.491 0.671 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000571326374 439495163 /nfs/dbraw/zinc/49/51/63/439495163.db2.gz DRVYLRKCGHIHNB-QGZVFWFLSA-N 1 3 344.459 0.625 20 0 ECADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000572493150 439586557 /nfs/dbraw/zinc/58/65/57/439586557.db2.gz GZHIJJLFTPBPJE-MRXNPFEDSA-N 1 3 328.416 0.577 20 0 ECADHO CC(C)OC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000584716769 439609478 /nfs/dbraw/zinc/60/94/78/439609478.db2.gz MZAOGSBGXYAWCE-MRXNPFEDSA-N 1 3 329.485 0.159 20 0 ECADHO O=C(Nc1cccc2c1CCNC2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000572876396 439615048 /nfs/dbraw/zinc/61/50/48/439615048.db2.gz CRQMBEGFVIFJAS-CYBMUJFWSA-N 1 3 326.404 0.928 20 0 ECADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CCCN(C)C3)C2)CC1 ZINC000610733010 439643278 /nfs/dbraw/zinc/64/32/78/439643278.db2.gz BJRIECXGWGYVKD-SJORKVTESA-N 1 3 337.512 0.891 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC(CC[NH3+])CC2)CC1(C)C ZINC000573616683 439656335 /nfs/dbraw/zinc/65/63/35/439656335.db2.gz MBZFVLYCHICRBQ-UHFFFAOYSA-N 1 3 325.501 0.783 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000573786887 439666748 /nfs/dbraw/zinc/66/67/48/439666748.db2.gz UKWODVZTACIOOT-ZWKOTPCHSA-N 1 3 347.507 0.877 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000573831143 439669491 /nfs/dbraw/zinc/66/94/91/439669491.db2.gz SURLSLIJGKYHIG-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000611647976 439714036 /nfs/dbraw/zinc/71/40/36/439714036.db2.gz HIAGUJMCQCGOLY-KBMXLJTQSA-N 1 3 336.480 0.528 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000611647976 439714040 /nfs/dbraw/zinc/71/40/40/439714040.db2.gz HIAGUJMCQCGOLY-KBMXLJTQSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574268960 439694435 /nfs/dbraw/zinc/69/44/35/439694435.db2.gz NUYVVZSKBRULDA-QAPCUYQASA-N 1 3 336.480 0.389 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000612547022 439726792 /nfs/dbraw/zinc/72/67/92/439726792.db2.gz YBAPMTYYQMFRQG-CVEARBPZSA-N 1 3 338.496 0.681 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000612547022 439726795 /nfs/dbraw/zinc/72/67/95/439726795.db2.gz YBAPMTYYQMFRQG-CVEARBPZSA-N 1 3 338.496 0.681 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C1 ZINC000612546839 439726823 /nfs/dbraw/zinc/72/68/23/439726823.db2.gz WCQMMISNRSMJNW-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC000612546839 439726827 /nfs/dbraw/zinc/72/68/27/439726827.db2.gz WCQMMISNRSMJNW-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000612552005 439728674 /nfs/dbraw/zinc/72/86/74/439728674.db2.gz RVOBPINDLAICDL-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000612551216 439728819 /nfs/dbraw/zinc/72/88/19/439728819.db2.gz FELZYXXJGQIBTR-HNNXBMFYSA-N 1 3 345.447 0.331 20 0 ECADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614845630 439788744 /nfs/dbraw/zinc/78/87/44/439788744.db2.gz CYZMYGUWGUUPMO-ROUUACIJSA-N 1 3 333.476 0.980 20 0 ECADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614845630 439788745 /nfs/dbraw/zinc/78/87/45/439788745.db2.gz CYZMYGUWGUUPMO-ROUUACIJSA-N 1 3 333.476 0.980 20 0 ECADHO C[C@@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)[NH+](C)C)c1N)N(C)C ZINC000616489162 439818958 /nfs/dbraw/zinc/81/89/58/439818958.db2.gz PCVXBLMHEOWFOM-STQMWFEESA-N 1 3 349.479 0.629 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652466593 439859606 /nfs/dbraw/zinc/85/96/06/439859606.db2.gz ZJMFGUHUOPYORX-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc(C(C)(C)N)no3)C2)CC1 ZINC000662734339 439863336 /nfs/dbraw/zinc/86/33/36/439863336.db2.gz FMRKMCFKRJCQFO-GFCCVEGCSA-N 1 3 335.452 0.767 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652486923 439867874 /nfs/dbraw/zinc/86/78/74/439867874.db2.gz HHCAGMXSLDCWQY-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652486923 439867881 /nfs/dbraw/zinc/86/78/81/439867881.db2.gz HHCAGMXSLDCWQY-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662759485 439878027 /nfs/dbraw/zinc/87/80/27/439878027.db2.gz YDHNYVOGSUAFMT-UONOGXRCSA-N 1 3 334.468 0.242 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000652408682 439840931 /nfs/dbraw/zinc/84/09/31/439840931.db2.gz MIVQCCHGXMUQPM-INIZCTEOSA-N 1 3 338.496 0.731 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000652408682 439840935 /nfs/dbraw/zinc/84/09/35/439840935.db2.gz MIVQCCHGXMUQPM-INIZCTEOSA-N 1 3 338.496 0.731 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000652429460 439846472 /nfs/dbraw/zinc/84/64/72/439846472.db2.gz RYBXCDDCZGZSDI-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000652429460 439846477 /nfs/dbraw/zinc/84/64/77/439846477.db2.gz RYBXCDDCZGZSDI-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662709722 439855934 /nfs/dbraw/zinc/85/59/34/439855934.db2.gz DWAUQWIUQHSHSA-HNNXBMFYSA-N 1 3 336.480 0.720 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000652697824 439924616 /nfs/dbraw/zinc/92/46/16/439924616.db2.gz OIQSIYPAKVSQEJ-MRXNPFEDSA-N 1 3 332.448 0.747 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cccc2c1CCNC2 ZINC000662776764 439885581 /nfs/dbraw/zinc/88/55/81/439885581.db2.gz ZQUVRQGPNMHUNK-OAHLLOKOSA-N 1 3 344.459 0.792 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662792159 439890494 /nfs/dbraw/zinc/89/04/94/439890494.db2.gz ZPSUKLOIAVMLMO-AWEZNQCLSA-N 1 3 336.402 0.624 20 0 ECADHO COCCN(CCN(C)C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662791953 439892504 /nfs/dbraw/zinc/89/25/04/439892504.db2.gz UELSXCRFWDPPTF-CQSZACIVSA-N 1 3 338.456 0.243 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2CCCCN2CCO)cn1 ZINC000652631296 439895779 /nfs/dbraw/zinc/89/57/79/439895779.db2.gz INCQTZNKKTWQPI-HNNXBMFYSA-N 1 3 338.456 0.413 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000617507033 439901500 /nfs/dbraw/zinc/90/15/00/439901500.db2.gz FXPRHWATRWIFEY-KKUMJFAQSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000617507033 439901508 /nfs/dbraw/zinc/90/15/08/439901508.db2.gz FXPRHWATRWIFEY-KKUMJFAQSA-N 1 3 326.485 0.666 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652667469 439906994 /nfs/dbraw/zinc/90/69/94/439906994.db2.gz SAOFTROOZPZDMW-MRXNPFEDSA-N 1 3 346.475 0.521 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000626975015 439975529 /nfs/dbraw/zinc/97/55/29/439975529.db2.gz ZVNZTRWBULDHIW-ZFWWWQNUSA-N 1 3 339.484 0.369 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636658551 439980117 /nfs/dbraw/zinc/98/01/17/439980117.db2.gz RKOSFQNVMOXTQX-HOCLYGCPSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636658551 439980125 /nfs/dbraw/zinc/98/01/25/439980125.db2.gz RKOSFQNVMOXTQX-HOCLYGCPSA-N 1 3 338.496 0.966 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1)C1CC1 ZINC000636657570 439981847 /nfs/dbraw/zinc/98/18/47/439981847.db2.gz FZRNOQYUYUFVLK-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CCC[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000658534367 439985180 /nfs/dbraw/zinc/98/51/80/439985180.db2.gz AQDGSHYDLBMCGB-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO CCN1CCC(NC(=O)CN2CCOc3ccc(C[NH3+])cc32)CC1 ZINC000631830820 439938577 /nfs/dbraw/zinc/93/85/77/439938577.db2.gz FBADXBVHNOOQBF-UHFFFAOYSA-N 1 3 332.448 0.945 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000652720350 439941088 /nfs/dbraw/zinc/94/10/88/439941088.db2.gz BLXHUXUVBFCABW-QGZVFWFLSA-N 1 3 344.459 0.719 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000626896857 439946960 /nfs/dbraw/zinc/94/69/60/439946960.db2.gz KSYHOVLXPLRYFX-UHFFFAOYSA-N 1 3 336.436 0.163 20 0 ECADHO CC(C)[C@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015115 439989174 /nfs/dbraw/zinc/98/91/74/439989174.db2.gz QRUWLHPCEDHDSQ-BBRMVZONSA-N 1 3 334.468 0.509 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000631927750 439991869 /nfs/dbraw/zinc/99/18/69/439991869.db2.gz IAWRUBZKVMJUJA-HIFRSBDPSA-N 1 3 330.498 0.331 20 0 ECADHO [NH3+]C1(CC(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CC1 ZINC000663017842 439992657 /nfs/dbraw/zinc/99/26/57/439992657.db2.gz RKPVDGFKOYAJPF-ZDUSSCGKSA-N 1 3 332.452 0.407 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627019177 439993065 /nfs/dbraw/zinc/99/30/65/439993065.db2.gz SSUDNEZCHVCDHO-MRXNPFEDSA-N 1 3 342.484 0.365 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCC(C)CC1 ZINC000642644502 439995996 /nfs/dbraw/zinc/99/59/96/439995996.db2.gz UERIPYNVDSDZRN-PMPSAXMXSA-N 1 3 336.480 0.433 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CCCCC1 ZINC000642785746 440038624 /nfs/dbraw/zinc/03/86/24/440038624.db2.gz GSRMIHHWCCQEKC-HZPDHXFCSA-N 1 3 336.480 0.611 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000627165453 440025793 /nfs/dbraw/zinc/02/57/93/440025793.db2.gz WJVCBXNRNNSSFQ-TWMKSMIVSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000642540811 439988336 /nfs/dbraw/zinc/98/83/36/439988336.db2.gz OTRVJSKOXITOQB-CHWSQXEVSA-N 1 3 338.477 0.540 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@H](CNC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000663372542 440061844 /nfs/dbraw/zinc/06/18/44/440061844.db2.gz NAKNSQJQDUAVQM-UXHICEINSA-N 1 3 346.519 0.847 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@H](CNC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000663372542 440061848 /nfs/dbraw/zinc/06/18/48/440061848.db2.gz NAKNSQJQDUAVQM-UXHICEINSA-N 1 3 346.519 0.847 20 0 ECADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1)C1CC1 ZINC000663372542 440061855 /nfs/dbraw/zinc/06/18/55/440061855.db2.gz NAKNSQJQDUAVQM-UXHICEINSA-N 1 3 346.519 0.847 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC[NH2+]C2CC2)o1 ZINC000642918870 440063531 /nfs/dbraw/zinc/06/35/31/440063531.db2.gz FTRGUYUBWQZKAD-UHFFFAOYSA-N 1 3 336.436 0.346 20 0 ECADHO C[NH+](C)CC[C@@H](N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000653166019 440088157 /nfs/dbraw/zinc/08/81/57/440088157.db2.gz QZJMEJBWQPKXJQ-RCCFBDPRSA-N 1 3 330.476 0.998 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000632129038 440088904 /nfs/dbraw/zinc/08/89/04/440088904.db2.gz CRHHWLHLNBQZOK-RBSFLKMASA-N 1 3 333.498 0.451 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)N2CCC(CN3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627204660 440042476 /nfs/dbraw/zinc/04/24/76/440042476.db2.gz YKLUEIPPJURHNW-RDJZCZTQSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000627338730 440132927 /nfs/dbraw/zinc/13/29/27/440132927.db2.gz OQFHLDKCITVPBE-XJKSGUPXSA-N 1 3 348.447 0.110 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653369211 440134183 /nfs/dbraw/zinc/13/41/83/440134183.db2.gz NAZIOEZOBQWLEK-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CCN(C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000658820937 440135611 /nfs/dbraw/zinc/13/56/11/440135611.db2.gz HJJKFQCBDAMUPV-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[C@H]1CCN(CC)C1 ZINC000658825734 440142144 /nfs/dbraw/zinc/14/21/44/440142144.db2.gz MMFKFOQSABHBJD-YJBOKZPZSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[C@H]1CCN(CC)C1 ZINC000658825734 440142151 /nfs/dbraw/zinc/14/21/51/440142151.db2.gz MMFKFOQSABHBJD-YJBOKZPZSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[C@@H]1CCN(CC)C1 ZINC000658825732 440142391 /nfs/dbraw/zinc/14/23/91/440142391.db2.gz MMFKFOQSABHBJD-QAPCUYQASA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[C@@H]1CCN(CC)C1 ZINC000658825732 440142397 /nfs/dbraw/zinc/14/23/97/440142397.db2.gz MMFKFOQSABHBJD-QAPCUYQASA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627311648 440114530 /nfs/dbraw/zinc/11/45/30/440114530.db2.gz DOZJXFRZABTUTC-RBSFLKMASA-N 1 3 336.480 0.624 20 0 ECADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000643453452 440168363 /nfs/dbraw/zinc/16/83/63/440168363.db2.gz CKDPWQGFXDUNTG-BZUAXINKSA-N 1 3 344.525 0.074 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000643503539 440188511 /nfs/dbraw/zinc/18/85/11/440188511.db2.gz SKSFIPKRSRGGLJ-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643503537 440189214 /nfs/dbraw/zinc/18/92/14/440189214.db2.gz SKSFIPKRSRGGLJ-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000643500683 440190295 /nfs/dbraw/zinc/19/02/95/440190295.db2.gz VMCTVFSBDNDVFX-CABCVRRESA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000643518540 440194940 /nfs/dbraw/zinc/19/49/40/440194940.db2.gz VSBKKPOTQAGWFU-GCSSGZNBSA-N 1 3 334.464 0.267 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000643545279 440208605 /nfs/dbraw/zinc/20/86/05/440208605.db2.gz VTLWQZBFDILZLI-FPCVCCKLSA-N 1 3 336.480 0.657 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCC1 ZINC000643552849 440212536 /nfs/dbraw/zinc/21/25/36/440212536.db2.gz RPGVOSGDNNCFAV-KKUMJFAQSA-N 1 3 336.480 0.515 20 0 ECADHO CN(C/C=C\C[N@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCC(=O)N(C)C1 ZINC000653698729 440230818 /nfs/dbraw/zinc/23/08/18/440230818.db2.gz CVCMLSKRWLBZJA-ILNYKDOHSA-N 1 3 336.480 0.648 20 0 ECADHO CN(C/C=C\C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCC(=O)N(C)C1 ZINC000653698729 440230824 /nfs/dbraw/zinc/23/08/24/440230824.db2.gz CVCMLSKRWLBZJA-ILNYKDOHSA-N 1 3 336.480 0.648 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627442401 440206463 /nfs/dbraw/zinc/20/64/63/440206463.db2.gz IXAVTAKQHSIAOI-HIFRSBDPSA-N 1 3 336.480 0.576 20 0 ECADHO O[C@@H]1C[C@H]2CN(CCCN3CCN(c4ccccc4)CC3)CC[N@@H+]2C1 ZINC000653829306 440254079 /nfs/dbraw/zinc/25/40/79/440254079.db2.gz ITMUXTUEYJHEMT-VQTJNVASSA-N 1 3 344.503 0.950 20 0 ECADHO O[C@@H]1C[C@H]2CN(CCCN3CCN(c4ccccc4)CC3)CC[N@H+]2C1 ZINC000653829306 440254086 /nfs/dbraw/zinc/25/40/86/440254086.db2.gz ITMUXTUEYJHEMT-VQTJNVASSA-N 1 3 344.503 0.950 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659105353 440252310 /nfs/dbraw/zinc/25/23/10/440252310.db2.gz GCTAKJMBAFXAEK-UHFFFAOYSA-N 1 3 346.431 0.434 20 0 ECADHO CCN(C(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664220477 440261302 /nfs/dbraw/zinc/26/13/02/440261302.db2.gz NASAZBPZXLJUPO-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO CCN(C(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664220477 440261306 /nfs/dbraw/zinc/26/13/06/440261306.db2.gz NASAZBPZXLJUPO-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CCN1 ZINC000637839175 440345203 /nfs/dbraw/zinc/34/52/03/440345203.db2.gz ALCHXQKAPYEZJB-LBPRGKRZSA-N 1 3 331.420 0.737 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC2CC[NH+](C3CCC3)CC2)n1 ZINC000659499908 440346751 /nfs/dbraw/zinc/34/67/51/440346751.db2.gz BWKZEYFIVXXPIP-UHFFFAOYSA-N 1 3 334.424 0.457 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000637864073 440349976 /nfs/dbraw/zinc/34/99/76/440349976.db2.gz LDGWVEGBTIQJMB-SFHVURJKSA-N 1 3 348.491 0.802 20 0 ECADHO C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000659510021 440350333 /nfs/dbraw/zinc/35/03/33/440350333.db2.gz JHJIJFUKOOIIIP-ZIAGYGMSSA-N 1 3 327.473 0.036 20 0 ECADHO C[C@@H]1CN(C(=O)NCC2([NH3+])CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000659573129 440367125 /nfs/dbraw/zinc/36/71/25/440367125.db2.gz KYMRFROTESXQBJ-HZPDHXFCSA-N 1 3 337.512 0.925 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000659611162 440373758 /nfs/dbraw/zinc/37/37/58/440373758.db2.gz PZVZUXKUAQOJAA-HIFRSBDPSA-N 1 3 335.456 0.568 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000659611162 440373762 /nfs/dbraw/zinc/37/37/62/440373762.db2.gz PZVZUXKUAQOJAA-HIFRSBDPSA-N 1 3 335.456 0.568 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000654461987 440324171 /nfs/dbraw/zinc/32/41/71/440324171.db2.gz VWLQMSUUGCUZGN-HRCADAONSA-N 1 3 325.501 0.509 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1([NH3+])CCCC1 ZINC000659448267 440328332 /nfs/dbraw/zinc/32/83/32/440328332.db2.gz OZQJUPBMKAGSEU-CQSZACIVSA-N 1 3 339.484 0.500 20 0 ECADHO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664557629 440329864 /nfs/dbraw/zinc/32/98/64/440329864.db2.gz RSPBYJZCIGZWHB-KKUMJFAQSA-N 1 3 341.500 0.472 20 0 ECADHO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664557629 440329868 /nfs/dbraw/zinc/32/98/68/440329868.db2.gz RSPBYJZCIGZWHB-KKUMJFAQSA-N 1 3 341.500 0.472 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659681649 440417320 /nfs/dbraw/zinc/41/73/20/440417320.db2.gz YIWBQZMJTHWWSV-QJYBKRKXSA-N 1 3 336.480 0.419 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000638069670 440423431 /nfs/dbraw/zinc/42/34/31/440423431.db2.gz LVRRLCKNEUANAH-KRWDZBQOSA-N 1 3 335.448 0.528 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000659693000 440427427 /nfs/dbraw/zinc/42/74/27/440427427.db2.gz CYTUYIQBJMGYGQ-ZOBUZTSGSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629994 440383345 /nfs/dbraw/zinc/38/33/45/440383345.db2.gz KITIDAVVLSWDGX-DGCLKSJQSA-N 1 3 334.424 0.409 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000628019223 440394689 /nfs/dbraw/zinc/39/46/89/440394689.db2.gz WUWVZXFFNBZGIF-MLHJIOFPSA-N 1 3 329.444 0.609 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000628019223 440394692 /nfs/dbraw/zinc/39/46/92/440394692.db2.gz WUWVZXFFNBZGIF-MLHJIOFPSA-N 1 3 329.444 0.609 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000633001994 440404059 /nfs/dbraw/zinc/40/40/59/440404059.db2.gz HWYPMNSAXMTMTR-OAHLLOKOSA-N 1 3 348.451 0.299 20 0 ECADHO COc1cccc([C@H](CNC(=O)CN2CC[NH2+]CC2)N2CCCC2)c1 ZINC000638051324 440410587 /nfs/dbraw/zinc/41/05/87/440410587.db2.gz FMETWPHBQWYVIQ-SFHVURJKSA-N 1 3 346.475 0.854 20 0 ECADHO [NH3+]CC1(CCNC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659729606 440467842 /nfs/dbraw/zinc/46/78/42/440467842.db2.gz TVBXBUUCYNJWCX-CQSZACIVSA-N 1 3 336.480 0.755 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000659743171 440480244 /nfs/dbraw/zinc/48/02/44/440480244.db2.gz XWIDJSWORJIQSD-JYJNAYRXSA-N 1 3 336.480 0.433 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCCC1 ZINC000659733668 440468983 /nfs/dbraw/zinc/46/89/83/440468983.db2.gz FLTCOHLFHZKLNQ-OAHLLOKOSA-N 1 3 336.480 0.851 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000659739516 440477067 /nfs/dbraw/zinc/47/70/67/440477067.db2.gz WPPPOGVKRGXGHF-MRXNPFEDSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)C[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347422 440479370 /nfs/dbraw/zinc/47/93/70/440479370.db2.gz WHQZLHNNOLRQTA-KBPBESRZSA-N 1 3 346.431 0.210 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000654932537 440439431 /nfs/dbraw/zinc/43/94/31/440439431.db2.gz ACQSIRYWNQYFBI-HYVNUMGLSA-N 1 3 349.479 0.768 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000659705255 440439643 /nfs/dbraw/zinc/43/96/43/440439643.db2.gz VIUGKJRRRLDPIE-UHFFFAOYSA-N 1 3 348.491 0.849 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000665293810 440447175 /nfs/dbraw/zinc/44/71/75/440447175.db2.gz DGXLFGZDWWNJNT-KBXCAEBGSA-N 1 3 341.415 0.986 20 0 ECADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659712887 440447224 /nfs/dbraw/zinc/44/72/24/440447224.db2.gz GTOUMUHBGJNKPI-HUUCEWRRSA-N 1 3 336.480 0.768 20 0 ECADHO CC1(OCC(=O)Nc2cccc(CN3CCC(O)CC3)c2)C[NH2+]C1 ZINC000649296074 440447733 /nfs/dbraw/zinc/44/77/33/440447733.db2.gz XDGAIYPQIKDQCQ-UHFFFAOYSA-N 1 3 333.432 0.960 20 0 ECADHO COc1cccc([C@H](N)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000638137582 440458565 /nfs/dbraw/zinc/45/85/65/440458565.db2.gz LWINQQNIJWQKLD-PBHICJAKSA-N 1 3 334.464 0.695 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659722869 440458726 /nfs/dbraw/zinc/45/87/26/440458726.db2.gz PRUSELSOGJLEAL-HUUCEWRRSA-N 1 3 336.480 0.768 20 0 ECADHO COc1cccc([C@@H](N)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000638137584 440459362 /nfs/dbraw/zinc/45/93/62/440459362.db2.gz LWINQQNIJWQKLD-WMLDXEAASA-N 1 3 334.464 0.695 20 0 ECADHO CCN1CCN(CCCCNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638137964 440460510 /nfs/dbraw/zinc/46/05/10/440460510.db2.gz RMTKIFNTFAVGNC-NVXWUHKLSA-N 1 3 326.485 0.287 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659756440 440492849 /nfs/dbraw/zinc/49/28/49/440492849.db2.gz QQUZNOMULQGDQS-INIZCTEOSA-N 1 3 336.480 0.564 20 0 ECADHO CN(C)C1(CNC(=O)[C@@H]2CC[C@H]2C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000633447648 440499074 /nfs/dbraw/zinc/49/90/74/440499074.db2.gz XCSIOIXYYKBCPE-ZIAGYGMSSA-N 1 3 336.480 0.433 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000638367338 440520254 /nfs/dbraw/zinc/52/02/54/440520254.db2.gz URTKTGXSKNTPAO-MRXNPFEDSA-N 1 3 341.496 0.962 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638366941 440520948 /nfs/dbraw/zinc/52/09/48/440520948.db2.gz AZXNLHKCQCTDRD-HNNXBMFYSA-N 1 3 327.469 0.762 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000665764056 440528689 /nfs/dbraw/zinc/52/86/89/440528689.db2.gz SSLZBYOKSBRGEP-QWHCGFSZSA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000665764056 440528693 /nfs/dbraw/zinc/52/86/93/440528693.db2.gz SSLZBYOKSBRGEP-QWHCGFSZSA-N 1 3 336.427 0.670 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000638405919 440531550 /nfs/dbraw/zinc/53/15/50/440531550.db2.gz GRYJZWQMXNULDO-LNLFQRSKSA-N 1 3 347.459 0.636 20 0 ECADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000659744767 440482735 /nfs/dbraw/zinc/48/27/35/440482735.db2.gz KVVNTQKTRUYPMQ-UHFFFAOYSA-N 1 3 334.464 0.332 20 0 ECADHO CCCN1CC[C@@H](NC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638428038 440535817 /nfs/dbraw/zinc/53/58/17/440535817.db2.gz YKMFQOIJFSNDMT-MNOVXSKESA-N 1 3 342.394 0.964 20 0 ECADHO CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638439412 440539612 /nfs/dbraw/zinc/53/96/12/440539612.db2.gz HYGGWHIJOSAHSG-ZIAGYGMSSA-N 1 3 334.468 0.523 20 0 ECADHO CN1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000633693983 440542898 /nfs/dbraw/zinc/54/28/98/440542898.db2.gz LQAQCBUHLNYXGT-VGWMRTNUSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000633693983 440542912 /nfs/dbraw/zinc/54/29/12/440542912.db2.gz LQAQCBUHLNYXGT-VGWMRTNUSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N(C)CCOCC[NH3+])ccc2[nH]c1=O ZINC000638674909 440600927 /nfs/dbraw/zinc/60/09/27/440600927.db2.gz ZBIWETRFAJQNOA-UHFFFAOYSA-N 1 3 349.435 0.351 20 0 ECADHO CN(CCOCC[NH3+])C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000638675142 440602149 /nfs/dbraw/zinc/60/21/49/440602149.db2.gz BPUFSJPEWBQILO-UHFFFAOYSA-N 1 3 334.464 0.632 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(N)=O)nc1 ZINC000666352065 440622466 /nfs/dbraw/zinc/62/24/66/440622466.db2.gz XDJIIBQKRONYRL-LBPRGKRZSA-N 1 3 336.440 0.574 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(N)=O)nc1 ZINC000666352065 440622472 /nfs/dbraw/zinc/62/24/72/440622472.db2.gz XDJIIBQKRONYRL-LBPRGKRZSA-N 1 3 336.440 0.574 20 0 ECADHO COC[C@]1(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638786171 440624577 /nfs/dbraw/zinc/62/45/77/440624577.db2.gz KMWVJZWAZYLHJF-AEFFLSMTSA-N 1 3 339.480 0.762 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655923813 440647264 /nfs/dbraw/zinc/64/72/64/440647264.db2.gz BYXOPVPFCZWMBD-MNOVXSKESA-N 1 3 325.379 0.201 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639020702 440666294 /nfs/dbraw/zinc/66/62/94/440666294.db2.gz LCILDDDBZMVYOK-CVEARBPZSA-N 1 3 327.469 0.572 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC000639043576 440668054 /nfs/dbraw/zinc/66/80/54/440668054.db2.gz TWEDGRQPZSMTEY-YHUYYLMFSA-N 1 3 336.480 0.705 20 0 ECADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(S(N)(=O)=O)cc1 ZINC000638882135 440640377 /nfs/dbraw/zinc/64/03/77/440640377.db2.gz WAQIAUIRAPRAQC-AWEZNQCLSA-N 1 3 329.466 0.780 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650826221 440690874 /nfs/dbraw/zinc/69/08/74/440690874.db2.gz LOUSSDLGKQJCNE-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650826221 440690876 /nfs/dbraw/zinc/69/08/76/440690876.db2.gz LOUSSDLGKQJCNE-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CCCC1 ZINC000656023394 440695897 /nfs/dbraw/zinc/69/58/97/440695897.db2.gz ANYIALGJTZBNTD-JYJNAYRXSA-N 1 3 336.480 0.753 20 0 ECADHO O[C@H](CN1CCCN(c2cc[nH+]cc2)CC1)CC1(O)CCOCC1 ZINC000639684069 440757798 /nfs/dbraw/zinc/75/77/98/440757798.db2.gz DOWWZMBZRTYWNO-KRWDZBQOSA-N 1 3 335.448 0.886 20 0 ECADHO NCC(=O)N1CCC[C@H](CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629655264 440747346 /nfs/dbraw/zinc/74/73/46/440747346.db2.gz UTWPOMFFMCFJDC-UPJWGTAASA-N 1 3 336.402 0.643 20 0 ECADHO CN1CCC2(CC1)CN(C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)CCO2 ZINC000645175054 440759527 /nfs/dbraw/zinc/75/95/27/440759527.db2.gz QJCGKGZPLHKOSV-OAHLLOKOSA-N 1 3 336.480 0.977 20 0 ECADHO CN1CCC2(CC1)CN(C(=O)NC[C@H]1CC[N@H+](C3CC3)C1)CCO2 ZINC000645175054 440759533 /nfs/dbraw/zinc/75/95/33/440759533.db2.gz QJCGKGZPLHKOSV-OAHLLOKOSA-N 1 3 336.480 0.977 20 0 ECADHO O[C@@H]1C[C@H]2CN(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CCN2C1 ZINC000639749541 440784049 /nfs/dbraw/zinc/78/40/49/440784049.db2.gz NGNSTVUCICLRCB-IPMKNSEASA-N 1 3 331.460 0.374 20 0 ECADHO O[C@@H]1C[C@H]2CN(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CCN2C1 ZINC000639749541 440784052 /nfs/dbraw/zinc/78/40/52/440784052.db2.gz NGNSTVUCICLRCB-IPMKNSEASA-N 1 3 331.460 0.374 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O ZINC000661514601 440870104 /nfs/dbraw/zinc/87/01/04/440870104.db2.gz NGQNYJZCAXUUIS-CQSZACIVSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1=O ZINC000661514601 440870109 /nfs/dbraw/zinc/87/01/09/440870109.db2.gz NGQNYJZCAXUUIS-CQSZACIVSA-N 1 3 339.484 0.275 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000661568207 440881251 /nfs/dbraw/zinc/88/12/51/440881251.db2.gz GFGRLHKMNMUUQO-OAHLLOKOSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C)CCN1C(=O)C[C@H](N2CCC(C)([NH+]3CCCC3)CC2)C1=O ZINC000630382203 440896857 /nfs/dbraw/zinc/89/68/57/440896857.db2.gz GBCKVJIZYCKCTM-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CC[C@](O)(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631113456 441012622 /nfs/dbraw/zinc/01/26/22/441012622.db2.gz YDOWPGOOJHQTGH-IBGZPJMESA-N 1 3 349.475 0.554 20 0 ECADHO Cn1cc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000662336425 441016508 /nfs/dbraw/zinc/01/65/08/441016508.db2.gz DDPXOBVZZCJOEO-HNNXBMFYSA-N 1 3 329.452 0.932 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)c1cc[nH]c1CC(=O)N[C@@H](C)C[NH+](C)C ZINC000635928512 441041958 /nfs/dbraw/zinc/04/19/58/441041958.db2.gz IAFIRVHPORZREI-STQMWFEESA-N 1 3 337.468 0.303 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)Cc1[nH]ccc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000635928512 441041965 /nfs/dbraw/zinc/04/19/65/441041965.db2.gz IAFIRVHPORZREI-STQMWFEESA-N 1 3 337.468 0.303 20 0 ECADHO CO[C@@H](CN)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000290088087 320677840 /nfs/dbraw/zinc/67/78/40/320677840.db2.gz JGDAMPWUIBWBPX-SJORKVTESA-N 1 3 335.448 0.522 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCCCCC2)CC1 ZINC000339668386 320995218 /nfs/dbraw/zinc/99/52/18/320995218.db2.gz GWJLOXDLFUFGMF-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000339684841 320997769 /nfs/dbraw/zinc/99/77/69/320997769.db2.gz VCROOYAYFSFCKL-WBVHZDCISA-N 1 3 348.491 0.732 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340256206 321030504 /nfs/dbraw/zinc/03/05/04/321030504.db2.gz PDAFDNURTZVZLE-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340257665 321030830 /nfs/dbraw/zinc/03/08/30/321030830.db2.gz RSHKUKYBUBMTSN-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000340257665 321030832 /nfs/dbraw/zinc/03/08/32/321030832.db2.gz RSHKUKYBUBMTSN-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000343044754 321118812 /nfs/dbraw/zinc/11/88/12/321118812.db2.gz YQOIBPCBALVVPS-INIZCTEOSA-N 1 3 327.469 0.666 20 0 ECADHO CS[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC000343634049 321140484 /nfs/dbraw/zinc/14/04/84/321140484.db2.gz FTFORBZNBXLVIN-YIDVYQOGSA-N 1 3 331.526 0.434 20 0 ECADHO CC[N@H+](CCCC1CCN(CC(=O)N(C)C)CC1)CC(=O)N(C)C ZINC000346468381 321222554 /nfs/dbraw/zinc/22/25/54/321222554.db2.gz XWJDLCQUHVNLEN-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CC[N@@H+](CCCC1CCN(CC(=O)N(C)C)CC1)CC(=O)N(C)C ZINC000346468381 321222555 /nfs/dbraw/zinc/22/25/55/321222555.db2.gz XWJDLCQUHVNLEN-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000347958291 321259264 /nfs/dbraw/zinc/25/92/64/321259264.db2.gz DWWJAXNCXYWTLP-MGPQQGTHSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347977406 321262125 /nfs/dbraw/zinc/26/21/25/321262125.db2.gz OJEIULYEMCXGTR-ARFHVFGLSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347977406 321262127 /nfs/dbraw/zinc/26/21/27/321262127.db2.gz OJEIULYEMCXGTR-ARFHVFGLSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000348416849 321274629 /nfs/dbraw/zinc/27/46/29/321274629.db2.gz PHFPSSCUINXDMM-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000349856408 321317007 /nfs/dbraw/zinc/31/70/07/321317007.db2.gz FQOCLXHZDMXOTD-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000533111287 322064324 /nfs/dbraw/zinc/06/43/24/322064324.db2.gz AOERHLNXSUODFE-MSOLQXFVSA-N 1 3 335.448 0.052 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)NC(C)C)CC2)CC1 ZINC000561081196 322253117 /nfs/dbraw/zinc/25/31/17/322253117.db2.gz DSROCEGLIHIZRM-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000561229884 322257058 /nfs/dbraw/zinc/25/70/58/322257058.db2.gz HBWICYMOHHSBTM-IAGOWNOFSA-N 1 3 346.475 0.473 20 0 ECADHO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000561267187 322258413 /nfs/dbraw/zinc/25/84/13/322258413.db2.gz XWPWLIRLKLFRBZ-INIZCTEOSA-N 1 3 336.480 0.579 20 0 ECADHO O=C1CNC(=O)N1CC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000562741045 322283153 /nfs/dbraw/zinc/28/31/53/322283153.db2.gz CLZMREHMQNBAKW-IAGOWNOFSA-N 1 3 342.443 0.992 20 0 ECADHO O=C1CNC(=O)N1CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000562741045 322283155 /nfs/dbraw/zinc/28/31/55/322283155.db2.gz CLZMREHMQNBAKW-IAGOWNOFSA-N 1 3 342.443 0.992 20 0 ECADHO CN1CCN(Cc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000563061098 322295016 /nfs/dbraw/zinc/29/50/16/322295016.db2.gz WSCOOIYAQNSIJY-KRWDZBQOSA-N 1 3 332.448 0.751 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)CN1CCOCC1 ZINC000564321669 322368853 /nfs/dbraw/zinc/36/88/53/322368853.db2.gz QGOOIXBZGGLRAQ-KRWDZBQOSA-N 1 3 337.464 0.410 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)CN1CCOCC1 ZINC000564321670 322368875 /nfs/dbraw/zinc/36/88/75/322368875.db2.gz QGOOIXBZGGLRAQ-QGZVFWFLSA-N 1 3 337.464 0.410 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)c2cn(CCC[NH3+])nn2)C[C@@H](C)O1 ZINC000564731265 322390214 /nfs/dbraw/zinc/39/02/14/322390214.db2.gz CSURSHLEPRTWQJ-ZIAGYGMSSA-N 1 3 338.456 0.246 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000567266907 322577575 /nfs/dbraw/zinc/57/75/75/322577575.db2.gz MYGLMSUJVJZTTA-KGLIPLIRSA-N 1 3 327.473 0.308 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000567566487 322587363 /nfs/dbraw/zinc/58/73/63/322587363.db2.gz RPDWAGPIWDNNDM-IYBDPMFKSA-N 1 3 338.496 0.587 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000569573834 322657815 /nfs/dbraw/zinc/65/78/15/322657815.db2.gz BUAOAPDSPZPCRR-JSGCOSHPSA-N 1 3 348.447 0.891 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569846159 322667027 /nfs/dbraw/zinc/66/70/27/322667027.db2.gz REMHWZFCKSMVKJ-VXGBXAGGSA-N 1 3 336.436 0.937 20 0 ECADHO N[C@H]1C[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000570291735 322682765 /nfs/dbraw/zinc/68/27/65/322682765.db2.gz DNUSHLGEBSPYLH-SJORKVTESA-N 1 3 342.443 0.666 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C[NH+]1CCCC1 ZINC000574062221 322772755 /nfs/dbraw/zinc/77/27/55/322772755.db2.gz AJIUCOLILYFIEO-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)(CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000575733282 322795344 /nfs/dbraw/zinc/79/53/44/322795344.db2.gz RMZSSSHRDMAXOB-INIZCTEOSA-N 1 3 337.512 0.940 20 0 ECADHO CS(=O)(=O)C1(C(=O)N2C[C@@H](N)Cc3ccccc32)CC[NH2+]CC1 ZINC000576469099 322807966 /nfs/dbraw/zinc/80/79/66/322807966.db2.gz NCLWAZHGPUFMII-ZDUSSCGKSA-N 1 3 337.445 0.070 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000577607937 322840524 /nfs/dbraw/zinc/84/05/24/322840524.db2.gz JONREULKPNQQJG-UONOGXRCSA-N 1 3 327.473 0.404 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000579589626 322901156 /nfs/dbraw/zinc/90/11/56/322901156.db2.gz JHZPOQRIDIMEBU-KBPBESRZSA-N 1 3 325.457 0.062 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCc3ccccc3)C[C@H]2O)C1 ZINC001078005999 782120411 /nfs/dbraw/zinc/12/04/11/782120411.db2.gz PGBSEPUGWZQOOX-RCCFBDPRSA-N 1 3 331.460 0.732 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCc3ccccc3)C[C@H]2O)C1 ZINC001078005999 782120414 /nfs/dbraw/zinc/12/04/14/782120414.db2.gz PGBSEPUGWZQOOX-RCCFBDPRSA-N 1 3 331.460 0.732 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000342983251 546087748 /nfs/dbraw/zinc/08/77/48/546087748.db2.gz ANIQJEOTTPWTCB-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621370255 546509470 /nfs/dbraw/zinc/50/94/70/546509470.db2.gz FTAXRFJDFTVNSW-FZDBZEDMSA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621370255 546509476 /nfs/dbraw/zinc/50/94/76/546509476.db2.gz FTAXRFJDFTVNSW-FZDBZEDMSA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621370255 546509480 /nfs/dbraw/zinc/50/94/80/546509480.db2.gz FTAXRFJDFTVNSW-FZDBZEDMSA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CC[N@H+](CCOCCN2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621370255 546509490 /nfs/dbraw/zinc/50/94/90/546509490.db2.gz FTAXRFJDFTVNSW-FZDBZEDMSA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@H](CO)C1 ZINC000621532000 546520939 /nfs/dbraw/zinc/52/09/39/546520939.db2.gz OOMGDQRMBKURCL-JYJNAYRXSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@H](CO)C1 ZINC000621532000 546520943 /nfs/dbraw/zinc/52/09/43/546520943.db2.gz OOMGDQRMBKURCL-JYJNAYRXSA-N 1 3 328.501 0.918 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000623395356 546783098 /nfs/dbraw/zinc/78/30/98/546783098.db2.gz IMNNNTRIQFSCAF-ZIAGYGMSSA-N 1 3 325.457 0.232 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000623395356 546783103 /nfs/dbraw/zinc/78/31/03/546783103.db2.gz IMNNNTRIQFSCAF-ZIAGYGMSSA-N 1 3 325.457 0.232 20 0 ECADHO CN1CC[C@H]([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1(C)C ZINC000623426019 546788841 /nfs/dbraw/zinc/78/88/41/546788841.db2.gz YKWPOWLCKPGJTN-HOTGVXAUSA-N 1 3 338.496 0.382 20 0 ECADHO C[NH+](C)[C@@H](CNc1nc(N)nc(N)n1)c1cccc(C(F)(F)F)c1 ZINC000624107557 546879626 /nfs/dbraw/zinc/87/96/26/546879626.db2.gz OCRRSQTUJJKGEG-JTQLQIEISA-N 1 3 341.341 0.852 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cncc(N2CCCC2=O)c1 ZINC000625285816 547062324 /nfs/dbraw/zinc/06/23/24/547062324.db2.gz HFISICUFHPWEAI-UHFFFAOYSA-N 1 3 347.463 0.774 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000625456073 547105965 /nfs/dbraw/zinc/10/59/65/547105965.db2.gz XKBVXOURKWCWMM-IAGOWNOFSA-N 1 3 348.491 0.816 20 0 ECADHO CN(C)C[C@](C)(O)CNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667337185 547503608 /nfs/dbraw/zinc/50/36/08/547503608.db2.gz ZFZDNKPTVTYTHW-QGZVFWFLSA-N 1 3 326.485 0.720 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CCN(C)C)CCO1 ZINC000667404122 547516370 /nfs/dbraw/zinc/51/63/70/547516370.db2.gz BIQNXYFPGXFLLP-CJNGLKHVSA-N 1 3 348.447 0.304 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000667541813 547530529 /nfs/dbraw/zinc/53/05/29/547530529.db2.gz BKTHLYYTBIVXDR-GDBMZVCRSA-N 1 3 330.432 0.897 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC(=O)N1C ZINC000667811389 547559356 /nfs/dbraw/zinc/55/93/56/547559356.db2.gz LFDWERSPYSOGGA-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC(=O)N1C ZINC000667811389 547559361 /nfs/dbraw/zinc/55/93/61/547559361.db2.gz LFDWERSPYSOGGA-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC000668302371 547614570 /nfs/dbraw/zinc/61/45/70/547614570.db2.gz FTLJJZZSQHVHAD-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@H]1CCN(CC)C1 ZINC000668502845 547672454 /nfs/dbraw/zinc/67/24/54/547672454.db2.gz VFDLIBPONMBVLB-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668776268 547746542 /nfs/dbraw/zinc/74/65/42/547746542.db2.gz CVWLEETWMPMFHL-ZIAGYGMSSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668776268 547746545 /nfs/dbraw/zinc/74/65/45/547746545.db2.gz CVWLEETWMPMFHL-ZIAGYGMSSA-N 1 3 326.485 0.822 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCN(CC)C1 ZINC000668824016 547758672 /nfs/dbraw/zinc/75/86/72/547758672.db2.gz DNXDWYYHKBRGBO-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCN(CC)C1 ZINC000668824016 547758673 /nfs/dbraw/zinc/75/86/73/547758673.db2.gz DNXDWYYHKBRGBO-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000669086157 547825997 /nfs/dbraw/zinc/82/59/97/547825997.db2.gz HSILSKRSNDUREX-WZYMTQMTSA-N 1 3 336.480 0.718 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000669086157 547825998 /nfs/dbraw/zinc/82/59/98/547825998.db2.gz HSILSKRSNDUREX-WZYMTQMTSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000670985068 548077260 /nfs/dbraw/zinc/07/72/60/548077260.db2.gz GCUNIBDBHZTSFR-CABCVRRESA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000670997432 548078496 /nfs/dbraw/zinc/07/84/96/548078496.db2.gz HXZIBSDOWWNCKM-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO COCCN(C)CCCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000671134721 548098590 /nfs/dbraw/zinc/09/85/90/548098590.db2.gz TYSIKBQWKJHWPZ-OAHLLOKOSA-N 1 3 342.484 0.060 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000671323231 548117147 /nfs/dbraw/zinc/11/71/47/548117147.db2.gz OREPLPIQIAPQHX-INIZCTEOSA-N 1 3 346.475 0.394 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672310303 548307256 /nfs/dbraw/zinc/30/72/56/548307256.db2.gz OEASVLJPFGHEFL-IAGOWNOFSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000672699039 548375162 /nfs/dbraw/zinc/37/51/62/548375162.db2.gz WPDIHTCJIMTENQ-FMKPAKJESA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCCO1 ZINC000672976249 548421589 /nfs/dbraw/zinc/42/15/89/548421589.db2.gz IHFWOBPAXKDJDX-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673513171 548502483 /nfs/dbraw/zinc/50/24/83/548502483.db2.gz CIPJKALPHFZSAA-CVEARBPZSA-N 1 3 347.459 0.908 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000675086373 548707524 /nfs/dbraw/zinc/70/75/24/548707524.db2.gz NFGJYVHGCHBCIO-GDBMZVCRSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000675086373 548707527 /nfs/dbraw/zinc/70/75/27/548707527.db2.gz NFGJYVHGCHBCIO-GDBMZVCRSA-N 1 3 337.512 0.794 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676095890 548788722 /nfs/dbraw/zinc/78/87/22/548788722.db2.gz FEGVUEHGLFLZNJ-ZDUSSCGKSA-N 1 3 338.456 0.230 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676095890 548788725 /nfs/dbraw/zinc/78/87/25/548788725.db2.gz FEGVUEHGLFLZNJ-ZDUSSCGKSA-N 1 3 338.456 0.230 20 0 ECADHO CN1CCC(NC(=S)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000749003925 579332306 /nfs/dbraw/zinc/33/23/06/579332306.db2.gz AJPPKBNGGPWFDE-UHFFFAOYSA-N 1 3 327.542 0.571 20 0 ECADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)C1CCN(C)CC1 ZINC000781089301 578705277 /nfs/dbraw/zinc/70/52/77/578705277.db2.gz WPGWLPCYRKSGHJ-UHFFFAOYSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000788574265 578840119 /nfs/dbraw/zinc/84/01/19/578840119.db2.gz RWHKWQYXQDARAG-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000788574265 578840120 /nfs/dbraw/zinc/84/01/20/578840120.db2.gz RWHKWQYXQDARAG-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000790273511 578871119 /nfs/dbraw/zinc/87/11/19/578871119.db2.gz NBRMSVBYGLITJM-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000790273511 578871121 /nfs/dbraw/zinc/87/11/21/578871121.db2.gz NBRMSVBYGLITJM-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)N1CCCCC1 ZINC000793716659 578937271 /nfs/dbraw/zinc/93/72/71/578937271.db2.gz KQAISTXZTAQOLQ-CABCVRRESA-N 1 3 336.480 0.744 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)N1CCCCC1 ZINC000793716659 578937272 /nfs/dbraw/zinc/93/72/72/578937272.db2.gz KQAISTXZTAQOLQ-CABCVRRESA-N 1 3 336.480 0.744 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)N1CCCCC1 ZINC000793725327 578937849 /nfs/dbraw/zinc/93/78/49/578937849.db2.gz ZEVJKNYHJNIPNA-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H]3[C@@H](CCC[N@@H+]3C)C1)C2=O ZINC000765107441 579061502 /nfs/dbraw/zinc/06/15/02/579061502.db2.gz SWPNTRYZAQQKTI-GJZGRUSLSA-N 1 3 349.479 0.376 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)C2=O ZINC000765107441 579061503 /nfs/dbraw/zinc/06/15/03/579061503.db2.gz SWPNTRYZAQQKTI-GJZGRUSLSA-N 1 3 349.479 0.376 20 0 ECADHO CN(C)CCNC(=S)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000767688722 579113801 /nfs/dbraw/zinc/11/38/01/579113801.db2.gz ZVKOZEJHVDKFPF-GJZGRUSLSA-N 1 3 328.526 0.780 20 0 ECADHO CN1CCC(NC(=S)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000767691176 579114006 /nfs/dbraw/zinc/11/40/06/579114006.db2.gz SJTCPOUHDYBVPY-HZPDHXFCSA-N 1 3 340.537 0.923 20 0 ECADHO CO[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C(F)(F)F ZINC000741088540 579765697 /nfs/dbraw/zinc/76/56/97/579765697.db2.gz XRKWGPQCTFZGFA-NSHDSACASA-N 1 3 328.379 0.699 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000841255574 588984943 /nfs/dbraw/zinc/98/49/43/588984943.db2.gz KTMCHSVRMXLVKU-KGLIPLIRSA-N 1 3 347.463 0.619 20 0 ECADHO C[C@H](CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[NH+]1CCCCC1 ZINC000841727381 588999405 /nfs/dbraw/zinc/99/94/05/588999405.db2.gz ZDUDBAUJILFKPD-GDBMZVCRSA-N 1 3 349.483 0.958 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000842016796 589008504 /nfs/dbraw/zinc/00/85/04/589008504.db2.gz YKXDQHZERBMSNX-IHRRRGAJSA-N 1 3 340.468 0.206 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891339455 586163567 /nfs/dbraw/zinc/16/35/67/586163567.db2.gz BBIZDBNQOBWOFM-ACHSLPGTSA-N 1 3 337.512 0.842 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000895319697 586176380 /nfs/dbraw/zinc/17/63/80/586176380.db2.gz QPLHHPYYWLFSHZ-ZACQAIPSSA-N 1 3 338.496 0.959 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000895319697 586176381 /nfs/dbraw/zinc/17/63/81/586176381.db2.gz QPLHHPYYWLFSHZ-ZACQAIPSSA-N 1 3 338.496 0.959 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891574987 586178462 /nfs/dbraw/zinc/17/84/62/586178462.db2.gz CMWRRXRYXHHGLL-IRXDYDNUSA-N 1 3 332.448 0.721 20 0 ECADHO C[C@H](CNC(=O)N1CC[NH2+]CCC12CCC2)CN1CCN(C)CC1 ZINC000891601055 586180300 /nfs/dbraw/zinc/18/03/00/586180300.db2.gz FPPRAQYRZMZQJX-MRXNPFEDSA-N 1 3 337.512 0.798 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)CN1CCN(C)CC1 ZINC000891602287 586181234 /nfs/dbraw/zinc/18/12/34/586181234.db2.gz KMRIJKYSFYGQLY-UONOGXRCSA-N 1 3 347.454 0.414 20 0 ECADHO CN(C)CCOCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891842646 586200553 /nfs/dbraw/zinc/20/05/53/586200553.db2.gz VVVLYAYDGLSPKP-QWRGUYRKSA-N 1 3 326.363 0.343 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000891891245 586203630 /nfs/dbraw/zinc/20/36/30/586203630.db2.gz NSUVLXYFRGHAGF-IXDOHACOSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000891891245 586203632 /nfs/dbraw/zinc/20/36/32/586203632.db2.gz NSUVLXYFRGHAGF-IXDOHACOSA-N 1 3 338.496 0.959 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000896096932 586221121 /nfs/dbraw/zinc/22/11/21/586221121.db2.gz LCTKMORQBMZTMD-UHFFFAOYSA-N 1 3 339.480 0.714 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C[NH+]1CCCC1 ZINC000892118041 586222865 /nfs/dbraw/zinc/22/28/65/586222865.db2.gz SVQOXCSHXNCHOK-IKGGRYGDSA-N 1 3 338.496 0.959 20 0 ECADHO O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@H]1CCCCN1CCO ZINC000892332009 586252512 /nfs/dbraw/zinc/25/25/12/586252512.db2.gz HTGZHDGEBSDBKK-QGZVFWFLSA-N 1 3 346.475 0.978 20 0 ECADHO Cn1cnc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000892522347 586271427 /nfs/dbraw/zinc/27/14/27/586271427.db2.gz XXOBODZLMNNXAH-UHFFFAOYSA-N 1 3 334.468 0.778 20 0 ECADHO CN(C)[C@]1(CNC(=O)C2C[NH+](C3CCOCC3)C2)CCSC1 ZINC000896837784 586273249 /nfs/dbraw/zinc/27/32/49/586273249.db2.gz JRHLPWUUXYZUKD-INIZCTEOSA-N 1 3 327.494 0.651 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000892641907 586278343 /nfs/dbraw/zinc/27/83/43/586278343.db2.gz ZKRGOHQMYXKROK-IAGOWNOFSA-N 1 3 338.496 0.959 20 0 ECADHO CN1CCC(N2CCC([NH2+]C3CC(S(C)(=O)=O)C3)CC2)CC1 ZINC000892762554 586288339 /nfs/dbraw/zinc/28/83/39/586288339.db2.gz FIYAJJJBNWCECU-UHFFFAOYSA-N 1 3 329.510 0.710 20 0 ECADHO CS[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1N(C)C ZINC000897237428 586290198 /nfs/dbraw/zinc/29/01/98/586290198.db2.gz INKBMVZTSXUYPW-CABCVRRESA-N 1 3 327.494 0.601 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000897313543 586297028 /nfs/dbraw/zinc/29/70/28/586297028.db2.gz GRICSYQBENNHQW-HNNXBMFYSA-N 1 3 347.463 0.577 20 0 ECADHO C[C@@H]1CCCN1CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000897482349 586331692 /nfs/dbraw/zinc/33/16/92/586331692.db2.gz QJMJBNPCKWYPID-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H]1CCCN1CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000897482349 586331694 /nfs/dbraw/zinc/33/16/94/586331694.db2.gz QJMJBNPCKWYPID-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000897557508 586344483 /nfs/dbraw/zinc/34/44/83/586344483.db2.gz NKXVUKQYXMAYHD-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000897557508 586344485 /nfs/dbraw/zinc/34/44/85/586344485.db2.gz NKXVUKQYXMAYHD-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000897560856 586344978 /nfs/dbraw/zinc/34/49/78/586344978.db2.gz TXMAGRNFKSVNKI-HUUCEWRRSA-N 1 3 347.463 0.575 20 0 ECADHO COC(=O)[C@@H]1[C@@H](C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)C1(F)F ZINC000894242517 586382049 /nfs/dbraw/zinc/38/20/49/586382049.db2.gz NWEJOHMOXGBHHF-TUAOUCFPSA-N 1 3 333.379 0.218 20 0 ECADHO COC(=O)[C@@H]1CC[C@H](NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000894854071 586415903 /nfs/dbraw/zinc/41/59/03/586415903.db2.gz CMHLOOMEFLKQFG-CABCVRRESA-N 1 3 325.453 0.910 20 0 ECADHO CN1CCN(c2cc[nH+]cc2NC(=O)C2CN([C@H]3CCOC3)C2)CC1 ZINC000900338662 586625359 /nfs/dbraw/zinc/62/53/59/586625359.db2.gz CTSOIOPVRPAQNQ-HNNXBMFYSA-N 1 3 345.447 0.493 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867324204 589059114 /nfs/dbraw/zinc/05/91/14/589059114.db2.gz UWQLEFDQHBSMPW-HOTGVXAUSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867324204 589059116 /nfs/dbraw/zinc/05/91/16/589059116.db2.gz UWQLEFDQHBSMPW-HOTGVXAUSA-N 1 3 338.496 0.585 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)NCCC(C)C)C2 ZINC000903492343 586779593 /nfs/dbraw/zinc/77/95/93/586779593.db2.gz NPQLXHFFMPRKKJ-OEUWWYETSA-N 1 3 325.453 0.750 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCc1nnn(C(C)(C)C)n1)C2 ZINC000903494881 586779903 /nfs/dbraw/zinc/77/99/03/586779903.db2.gz ORFPBNHEODGADR-OZVIIMIRSA-N 1 3 336.440 0.183 20 0 ECADHO C[C@@H](C(=O)NC(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510519 586780864 /nfs/dbraw/zinc/78/08/64/586780864.db2.gz RTCKCJHOBMVJTP-VBNZEHGJSA-N 1 3 349.479 0.264 20 0 ECADHO C[C@@H](C(=O)NC(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510519 586780865 /nfs/dbraw/zinc/78/08/65/586780865.db2.gz RTCKCJHOBMVJTP-VBNZEHGJSA-N 1 3 349.479 0.264 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903553167 586788199 /nfs/dbraw/zinc/78/81/99/586788199.db2.gz AWNFCORVFBNLEV-ZDUSSCGKSA-N 1 3 343.497 0.338 20 0 ECADHO C[NH2+]CCN(C(C)C)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000903591501 586796120 /nfs/dbraw/zinc/79/61/20/586796120.db2.gz OCBKMQAWQZMRQL-UHFFFAOYSA-N 1 3 345.513 0.680 20 0 ECADHO CN(C[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000903758775 586813147 /nfs/dbraw/zinc/81/31/47/586813147.db2.gz MJLGZGWMCYREHM-HRCADAONSA-N 1 3 345.509 0.358 20 0 ECADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3C[C@H](N)C(C)(C)C3)C2)CC1 ZINC000903759019 586813171 /nfs/dbraw/zinc/81/31/71/586813171.db2.gz MUYRHRHKEJPZOF-CABCVRRESA-N 1 3 336.480 0.372 20 0 ECADHO NS(=O)(=O)c1ccc(OCCN2C[C@@H]3C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000903847543 586820512 /nfs/dbraw/zinc/82/05/12/586820512.db2.gz KLIIWHAJVMCPPT-XQQFMLRXSA-N 1 3 325.434 0.524 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@H](CN3CCOCC3)C2)cnn1C ZINC000903896312 586823880 /nfs/dbraw/zinc/82/38/80/586823880.db2.gz ARFUBFRCEJYXEV-IAGOWNOFSA-N 1 3 335.496 0.500 20 0 ECADHO [NH3+]CC[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C(F)(F)F ZINC000904515917 586839670 /nfs/dbraw/zinc/83/96/70/586839670.db2.gz QNXPMSNHYACWOJ-TUAOUCFPSA-N 1 3 338.374 0.507 20 0 ECADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843488586 589071599 /nfs/dbraw/zinc/07/15/99/589071599.db2.gz GLVYLARECKALCV-WMLDXEAASA-N 1 3 343.443 0.954 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC[C@H](O)C[C@@]2(O)CCOC2)c1 ZINC000905089740 586868020 /nfs/dbraw/zinc/86/80/20/586868020.db2.gz PVWUCDMUCQJIAI-AEFFLSMTSA-N 1 3 338.448 0.619 20 0 ECADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)C[C@]1(O)CCOC1 ZINC000905172261 586876573 /nfs/dbraw/zinc/87/65/73/586876573.db2.gz CVHNZODIYPBYEL-XWTMOSNGSA-N 1 3 342.480 0.246 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(O)CCOCC1 ZINC000906489055 586950602 /nfs/dbraw/zinc/95/06/02/586950602.db2.gz RZZVHRJZEATXOI-MRXNPFEDSA-N 1 3 341.496 0.793 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(O)CCOCC1 ZINC000906489055 586950605 /nfs/dbraw/zinc/95/06/05/586950605.db2.gz RZZVHRJZEATXOI-MRXNPFEDSA-N 1 3 341.496 0.793 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906720829 586971135 /nfs/dbraw/zinc/97/11/35/586971135.db2.gz ZQOJRRJPECMDEG-BFHYXJOUSA-N 1 3 346.431 0.704 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)cn1 ZINC000906733920 586972760 /nfs/dbraw/zinc/97/27/60/586972760.db2.gz BMDOQYXNUTWEMZ-CYBMUJFWSA-N 1 3 336.440 0.032 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)ccc1OCCN(C)C ZINC000906741536 586973473 /nfs/dbraw/zinc/97/34/73/586973473.db2.gz KNAUKDSHOPWBAH-CTYIDZIISA-N 1 3 348.447 0.727 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000806327510 587093026 /nfs/dbraw/zinc/09/30/26/587093026.db2.gz AOPOKFADYGHQJT-OAGGEKHMSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC000815207108 587284102 /nfs/dbraw/zinc/28/41/02/587284102.db2.gz SQCHMGLPKOGOJX-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC000815207108 587284103 /nfs/dbraw/zinc/28/41/03/587284103.db2.gz SQCHMGLPKOGOJX-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817901342 587391259 /nfs/dbraw/zinc/39/12/59/587391259.db2.gz CBABSBDHKATZBD-KOLCDFICSA-N 1 3 329.388 0.888 20 0 ECADHO CCNCC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000844181926 589100070 /nfs/dbraw/zinc/10/00/70/589100070.db2.gz VJUBXJQRBRMZOX-MRXNPFEDSA-N 1 3 332.448 0.610 20 0 ECADHO CCNCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000844181926 589100072 /nfs/dbraw/zinc/10/00/72/589100072.db2.gz VJUBXJQRBRMZOX-MRXNPFEDSA-N 1 3 332.448 0.610 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000820080893 587507647 /nfs/dbraw/zinc/50/76/47/587507647.db2.gz OIXXRZHFUIUNMF-QWHCGFSZSA-N 1 3 336.427 0.934 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000820080893 587507649 /nfs/dbraw/zinc/50/76/49/587507649.db2.gz OIXXRZHFUIUNMF-QWHCGFSZSA-N 1 3 336.427 0.934 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000822890764 587688485 /nfs/dbraw/zinc/68/84/85/587688485.db2.gz PLJJHENTBGRFLP-UHFFFAOYSA-N 1 3 327.469 0.668 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000827936702 588147672 /nfs/dbraw/zinc/14/76/72/588147672.db2.gz ULZASPSINWLMGC-LMMKCTJWSA-N 1 3 329.444 0.897 20 0 ECADHO [NH3+]CCCCCCN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000846221529 589191608 /nfs/dbraw/zinc/19/16/08/589191608.db2.gz ZWWDBVFUUSDGDO-HNNXBMFYSA-N 1 3 333.498 0.632 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867419021 589199957 /nfs/dbraw/zinc/19/99/57/589199957.db2.gz ZBPUFAABJNCJRH-JKSUJKDBSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000867419021 589199959 /nfs/dbraw/zinc/19/99/59/589199959.db2.gz ZBPUFAABJNCJRH-JKSUJKDBSA-N 1 3 336.480 0.482 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N(CCN(C)C)CC(=O)N(C)C ZINC000849292346 589325102 /nfs/dbraw/zinc/32/51/02/589325102.db2.gz CSDUOJNHFAEOJQ-AWEZNQCLSA-N 1 3 343.541 0.297 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=S)N(CCN(C)C)CC(=O)N(C)C ZINC000849292346 589325104 /nfs/dbraw/zinc/32/51/04/589325104.db2.gz CSDUOJNHFAEOJQ-AWEZNQCLSA-N 1 3 343.541 0.297 20 0 ECADHO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CCN(C3CC3)C2)cn1 ZINC000849507324 589338624 /nfs/dbraw/zinc/33/86/24/589338624.db2.gz DAJFAFYOILLJDQ-BHYGNILZSA-N 1 3 331.464 0.808 20 0 ECADHO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H]2CCN(C3CC3)C2)cn1 ZINC000849507324 589338626 /nfs/dbraw/zinc/33/86/26/589338626.db2.gz DAJFAFYOILLJDQ-BHYGNILZSA-N 1 3 331.464 0.808 20 0 ECADHO COCCN(C)CCNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849515409 589339209 /nfs/dbraw/zinc/33/92/09/589339209.db2.gz GFWCNYKSJGRTOV-HOTGVXAUSA-N 1 3 337.468 0.150 20 0 ECADHO COCCN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849515409 589339212 /nfs/dbraw/zinc/33/92/12/589339212.db2.gz GFWCNYKSJGRTOV-HOTGVXAUSA-N 1 3 337.468 0.150 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000850827469 589385859 /nfs/dbraw/zinc/38/58/59/589385859.db2.gz UAUYXLSZNDTACE-UHFFFAOYSA-N 1 3 347.463 0.574 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000851629964 589409275 /nfs/dbraw/zinc/40/92/75/589409275.db2.gz DHZPSTRHYRSYFJ-UHFFFAOYSA-N 1 3 343.435 0.631 20 0 ECADHO [NH3+]C[C@@H]1CC(C(=O)NCC2CCN(Cc3ccncc3)CC2)=NO1 ZINC000852903851 589524114 /nfs/dbraw/zinc/52/41/14/589524114.db2.gz IZWLOTNLPRBZMN-HNNXBMFYSA-N 1 3 331.420 0.513 20 0 ECADHO CN(C)C[C@H](CO)NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000854463712 589587402 /nfs/dbraw/zinc/58/74/02/589587402.db2.gz FDURBJQUARBDDL-BSDKJSHOSA-N 1 3 335.448 0.679 20 0 ECADHO CC(C)N1CCN(C2CCN(C(=O)NCC[C@H](C)[NH3+])CC2)CC1 ZINC000857111872 589687335 /nfs/dbraw/zinc/68/73/35/589687335.db2.gz YMHCFONTBCWDIZ-HNNXBMFYSA-N 1 3 325.501 0.924 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCN1C ZINC000867521979 589798619 /nfs/dbraw/zinc/79/86/19/589798619.db2.gz FYMQVNQFVKQEAD-QXSJWSMHSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCN1C ZINC000867521979 589798621 /nfs/dbraw/zinc/79/86/21/589798621.db2.gz FYMQVNQFVKQEAD-QXSJWSMHSA-N 1 3 336.480 0.480 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)[C@@H]2C1 ZINC000867800351 589845349 /nfs/dbraw/zinc/84/53/49/589845349.db2.gz XVATZQGRWJRFGS-XUWVNRHRSA-N 1 3 334.464 0.092 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)[C@@H]2C1 ZINC000867800351 589845352 /nfs/dbraw/zinc/84/53/52/589845352.db2.gz XVATZQGRWJRFGS-XUWVNRHRSA-N 1 3 334.464 0.092 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)[C@@H]2C1 ZINC000867800352 589845599 /nfs/dbraw/zinc/84/55/99/589845599.db2.gz XVATZQGRWJRFGS-YHUYYLMFSA-N 1 3 334.464 0.092 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)[C@@H]2C1 ZINC000867800352 589845600 /nfs/dbraw/zinc/84/56/00/589845600.db2.gz XVATZQGRWJRFGS-YHUYYLMFSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)CC1 ZINC000868166696 589877528 /nfs/dbraw/zinc/87/75/28/589877528.db2.gz ACTGKXUNKKLODZ-LBPRGKRZSA-N 1 3 337.390 0.297 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])Cc1ccccc1 ZINC000861755821 589887844 /nfs/dbraw/zinc/88/78/44/589887844.db2.gz QCKFXELHIJINKZ-WBVHZDCISA-N 1 3 348.491 0.861 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000868309768 589891223 /nfs/dbraw/zinc/89/12/23/589891223.db2.gz MFYOWYDSUMKURU-XJKSGUPXSA-N 1 3 328.416 0.781 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000868309768 589891226 /nfs/dbraw/zinc/89/12/26/589891226.db2.gz MFYOWYDSUMKURU-XJKSGUPXSA-N 1 3 328.416 0.781 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000868368415 589897091 /nfs/dbraw/zinc/89/70/91/589897091.db2.gz KELJQTMVQXPWGR-KBXCAEBGSA-N 1 3 338.496 0.763 20 0 ECADHO Cc1cc(C)n(CCN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)n1 ZINC000863548675 590022504 /nfs/dbraw/zinc/02/25/04/590022504.db2.gz VHNAUQMPGGXQRE-CVEARBPZSA-N 1 3 333.436 0.757 20 0 ECADHO CNS(=O)(=O)c1ccc(CCNC[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000872234893 590106945 /nfs/dbraw/zinc/10/69/45/590106945.db2.gz JCGBCLQZZDKIIM-OAHLLOKOSA-N 1 3 341.477 0.182 20 0 ECADHO CNS(=O)(=O)c1ccc(CCNC[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000872234893 590106946 /nfs/dbraw/zinc/10/69/46/590106946.db2.gz JCGBCLQZZDKIIM-OAHLLOKOSA-N 1 3 341.477 0.182 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2nc3c(s2)CNCC3)C1 ZINC000872257067 590109055 /nfs/dbraw/zinc/10/90/55/590109055.db2.gz KETWWACPCKCTKG-KGYLQXTDSA-N 1 3 349.460 0.156 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(CC)CC ZINC000872303241 590112295 /nfs/dbraw/zinc/11/22/95/590112295.db2.gz DWVQFYXFOBNWIQ-XQLPTFJDSA-N 1 3 338.452 0.500 20 0 ECADHO COCC[C@@H](CNC[C@]1(O)CC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865528989 590149112 /nfs/dbraw/zinc/14/91/12/590149112.db2.gz SZSDHMMKRMPAJK-XJKSGUPXSA-N 1 3 331.457 0.572 20 0 ECADHO COCC[C@@H](CNC[C@]1(O)CC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865528989 590149115 /nfs/dbraw/zinc/14/91/15/590149115.db2.gz SZSDHMMKRMPAJK-XJKSGUPXSA-N 1 3 331.457 0.572 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C[NH+]1CCCC1 ZINC000875096838 590270503 /nfs/dbraw/zinc/27/05/03/590270503.db2.gz WDCSYLFDUMVGNV-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C[NH+]1CCCC1 ZINC000875118887 590272918 /nfs/dbraw/zinc/27/29/18/590272918.db2.gz VHJNJTJEBXOOTB-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCC1(C)C ZINC000875408049 590299980 /nfs/dbraw/zinc/29/99/80/590299980.db2.gz NQXDRWIDKTVIIG-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCC1(C)C ZINC000875408049 590299982 /nfs/dbraw/zinc/29/99/82/590299982.db2.gz NQXDRWIDKTVIIG-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CC[NH+](C2CCN(C[C@@H](O)COCc3ccco3)CC2)CC1 ZINC000879590771 590327289 /nfs/dbraw/zinc/32/72/89/590327289.db2.gz DJECBFFAUIFZSV-QGZVFWFLSA-N 1 3 337.464 0.869 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nonc1C ZINC000876439412 590377347 /nfs/dbraw/zinc/37/73/47/590377347.db2.gz KYDSBKLVZSIXFJ-AWEZNQCLSA-N 1 3 338.456 0.936 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nonc1C ZINC000876439412 590377349 /nfs/dbraw/zinc/37/73/49/590377349.db2.gz KYDSBKLVZSIXFJ-AWEZNQCLSA-N 1 3 338.456 0.936 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000876719546 590403387 /nfs/dbraw/zinc/40/33/87/590403387.db2.gz NZXBOEDQMDPMER-VYDXJSESSA-N 1 3 325.453 0.513 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876752005 590408809 /nfs/dbraw/zinc/40/88/09/590408809.db2.gz DGDYZHXCKRBMCQ-PTZVLDCSSA-N 1 3 336.480 0.555 20 0 ECADHO COC1CC[NH+](C2(CNC(=O)[C@@H](N)CN(C)C)CCCC2)CC1 ZINC000876758657 590410395 /nfs/dbraw/zinc/41/03/95/590410395.db2.gz LEWQSISTJCRGEZ-HNNXBMFYSA-N 1 3 326.485 0.415 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cn1 ZINC000876770990 590412702 /nfs/dbraw/zinc/41/27/02/590412702.db2.gz LQIDTARSPUMGDD-GXMNPTEKSA-N 1 3 348.451 0.055 20 0 ECADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCCN1CCN(C)CC1 ZINC000876779933 590413687 /nfs/dbraw/zinc/41/36/87/590413687.db2.gz OJDRXWFWJYVXBL-INIZCTEOSA-N 1 3 348.495 0.483 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876879508 590421842 /nfs/dbraw/zinc/42/18/42/590421842.db2.gz BIBYGWJKPWEXOZ-IYKSTZQJSA-N 1 3 337.464 0.934 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876880799 590422088 /nfs/dbraw/zinc/42/20/88/590422088.db2.gz NBAKCBRMKFUYSH-ZIAGYGMSSA-N 1 3 329.416 0.325 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C(=O)CNC[C@@H]1CCCO1 ZINC000877132974 590439622 /nfs/dbraw/zinc/43/96/22/590439622.db2.gz SHXOSGQXNHADHB-INIZCTEOSA-N 1 3 327.469 0.572 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000877132670 590439753 /nfs/dbraw/zinc/43/97/53/590439753.db2.gz KEYJRMIDDUYJBX-UHFFFAOYSA-N 1 3 338.456 0.057 20 0 ECADHO C[NH+](C)C1CCN(CCNCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877159552 590441595 /nfs/dbraw/zinc/44/15/95/590441595.db2.gz YIVXRYOCZUUUCF-UHFFFAOYSA-N 1 3 340.493 0.450 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cnnn1C1CC[NH2+]CC1 ZINC000877340407 590459100 /nfs/dbraw/zinc/45/91/00/590459100.db2.gz MRFJWUKTDOVIHP-HNNXBMFYSA-N 1 3 340.431 0.647 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000877362256 590460844 /nfs/dbraw/zinc/46/08/44/590460844.db2.gz ZPQSNBIVNVWUNU-CHWSQXEVSA-N 1 3 336.402 0.610 20 0 ECADHO COCC[N@H+](C[C@@H](O)COC1CCOCC1)CC1CCN(C)CC1 ZINC000879124824 590565476 /nfs/dbraw/zinc/56/54/76/590565476.db2.gz FLWUMSJOMKTMNL-QGZVFWFLSA-N 1 3 344.496 0.833 20 0 ECADHO COCC[N@@H+](C[C@@H](O)COC1CCOCC1)CC1CCN(C)CC1 ZINC000879124824 590565479 /nfs/dbraw/zinc/56/54/79/590565479.db2.gz FLWUMSJOMKTMNL-QGZVFWFLSA-N 1 3 344.496 0.833 20 0 ECADHO C[NH+](C)CCCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883038166 590602775 /nfs/dbraw/zinc/60/27/75/590602775.db2.gz ZQUDBMMQCSRUEL-UHFFFAOYSA-N 1 3 339.484 0.454 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC([NH3+])CC2)CCN1c1ccncc1 ZINC000883639604 590637677 /nfs/dbraw/zinc/63/76/77/590637677.db2.gz UDUKCRJQOLBINS-CYBMUJFWSA-N 1 3 331.420 0.068 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884541 590641540 /nfs/dbraw/zinc/64/15/40/590641540.db2.gz DDVWLGDHOQKSEV-CABCVRRESA-N 1 3 338.496 0.822 20 0 ECADHO O=C(C(=O)N1CCNCCC12CCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000883658219 590645430 /nfs/dbraw/zinc/64/54/30/590645430.db2.gz WCNRMOYEAZPDKV-MRXNPFEDSA-N 1 3 348.491 0.818 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000884966932 590656911 /nfs/dbraw/zinc/65/69/11/590656911.db2.gz XQDIXKHAEZYFAB-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@H]1CN ZINC000884986719 590664102 /nfs/dbraw/zinc/66/41/02/590664102.db2.gz UUSWEYOBUXADLT-GBRKPNRJSA-N 1 3 338.496 0.951 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885007143 590667838 /nfs/dbraw/zinc/66/78/38/590667838.db2.gz GDBHEZPDIQRZPO-JJTUDDRGSA-N 1 3 348.491 0.718 20 0 ECADHO COCC[C@@H](N)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000884217625 590778983 /nfs/dbraw/zinc/77/89/83/590778983.db2.gz SGEIPKXZFKZFKN-OAHLLOKOSA-N 1 3 327.469 0.890 20 0 ECADHO COCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000884405490 590821321 /nfs/dbraw/zinc/82/13/21/590821321.db2.gz RZHFURRJRAOQLW-BPLDGKMQSA-N 1 3 339.411 0.760 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000884566235 590859096 /nfs/dbraw/zinc/85/90/96/590859096.db2.gz DTUITSPSLBTHNW-CZUORRHYSA-N 1 3 344.459 0.150 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884576102 590861661 /nfs/dbraw/zinc/86/16/61/590861661.db2.gz AAOKBTZJTALDHG-GJZGRUSLSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000884577452 590862332 /nfs/dbraw/zinc/86/23/32/590862332.db2.gz FMHDKCDWRXVWOO-PVAVHDDUSA-N 1 3 344.459 0.888 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884577277 590862381 /nfs/dbraw/zinc/86/23/81/590862381.db2.gz AYHKQJCVEOIIRX-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000884578103 590862410 /nfs/dbraw/zinc/86/24/10/590862410.db2.gz SXTQZHIOHOBKRH-WMLDXEAASA-N 1 3 344.459 0.499 20 0 ECADHO Cn1ccn2c(CCN[C@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)nnc2c1=O ZINC000886698402 590870984 /nfs/dbraw/zinc/87/09/84/590870984.db2.gz FAWXBRAOLAEJEU-RDBSUJKOSA-N 1 3 330.436 0.433 20 0 ECADHO Cn1ccn2c(CCN[C@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)nnc2c1=O ZINC000886698402 590870985 /nfs/dbraw/zinc/87/09/85/590870985.db2.gz FAWXBRAOLAEJEU-RDBSUJKOSA-N 1 3 330.436 0.433 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CCCCCC[NH3+])CCSC1 ZINC000884612879 590871758 /nfs/dbraw/zinc/87/17/58/590871758.db2.gz WUCIPFFASMVEOZ-MRXNPFEDSA-N 1 3 344.525 0.517 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)N(C)C1CC1 ZINC000884617457 590872866 /nfs/dbraw/zinc/87/28/66/590872866.db2.gz MTPNNDKAMFGDGO-GOEBONIOSA-N 1 3 346.475 0.662 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884618011 590873492 /nfs/dbraw/zinc/87/34/92/590873492.db2.gz VQPPRTLWKNQXAB-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO CCN(C(=O)C(=O)NCc1cccc(CN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000884625790 590876002 /nfs/dbraw/zinc/87/60/02/590876002.db2.gz SBPDJNJLCXKBHE-MRXNPFEDSA-N 1 3 332.448 0.575 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000884651950 590884153 /nfs/dbraw/zinc/88/41/53/590884153.db2.gz DYMPWUAJVKIHMT-GOEBONIOSA-N 1 3 344.459 0.715 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000884674877 590889316 /nfs/dbraw/zinc/88/93/16/590889316.db2.gz KQTOVUWMEHELPW-CQSZACIVSA-N 1 3 345.447 0.235 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884681711 590892539 /nfs/dbraw/zinc/89/25/39/590892539.db2.gz DFWJIIGJIVFQFK-CABCVRRESA-N 1 3 345.447 0.235 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884716967 590907240 /nfs/dbraw/zinc/90/72/40/590907240.db2.gz OGJCMGWPHUGLJU-YCPHGPKFSA-N 1 3 345.447 0.233 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000884724782 590911485 /nfs/dbraw/zinc/91/14/85/590911485.db2.gz FTBMRVLSBIWCLP-ILXRZTDVSA-N 1 3 345.447 0.362 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCCCCCC[NH3+])CCN1c1ccncc1 ZINC000884732861 590913964 /nfs/dbraw/zinc/91/39/64/590913964.db2.gz UTMMEOXXGKDBOE-OAHLLOKOSA-N 1 3 347.463 0.754 20 0 ECADHO COc1cnccc1N1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000935767430 611399747 /nfs/dbraw/zinc/39/97/47/611399747.db2.gz JHKSWACZPNXTHJ-UHFFFAOYSA-N 1 3 348.447 0.850 20 0 ECADHO CC1(C)C[C@@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C[C@@H]([NH3+])C1 ZINC000925569605 611487712 /nfs/dbraw/zinc/48/77/12/611487712.db2.gz HHTFXTWAZKTKQO-PMPSAXMXSA-N 1 3 338.496 0.415 20 0 ECADHO NC(=O)c1cn(CCCC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)nn1 ZINC000925690428 611495163 /nfs/dbraw/zinc/49/51/63/611495163.db2.gz JWWGUFOHIMVLMU-CABCVRRESA-N 1 3 334.468 0.915 20 0 ECADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000925810832 611502814 /nfs/dbraw/zinc/50/28/14/611502814.db2.gz BBQUIUZKTFICKG-MELADBBJSA-N 1 3 347.525 0.969 20 0 ECADHO COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931286087 611528301 /nfs/dbraw/zinc/52/83/01/611528301.db2.gz ADSJYOWYVPGXMF-RDJZCZTQSA-N 1 3 330.469 0.586 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000926294236 611531945 /nfs/dbraw/zinc/53/19/45/611531945.db2.gz SOWVQIPHMJEYSC-GJZGRUSLSA-N 1 3 326.485 0.476 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@H]1C[NH3+] ZINC000926325088 611535012 /nfs/dbraw/zinc/53/50/12/611535012.db2.gz YVRBLIBPCMENSO-GJZGRUSLSA-N 1 3 338.496 0.763 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC[C@@H]1C[NH3+] ZINC000926334757 611536599 /nfs/dbraw/zinc/53/65/99/611536599.db2.gz UGDVAFIVBIYBLR-BZUAXINKSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000948411140 611578116 /nfs/dbraw/zinc/57/81/16/611578116.db2.gz YKVSLJLCZXTHJO-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000948411140 611578119 /nfs/dbraw/zinc/57/81/19/611578119.db2.gz YKVSLJLCZXTHJO-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1)C[NH+](C)C ZINC000932471136 611632187 /nfs/dbraw/zinc/63/21/87/611632187.db2.gz VYRULALKFPGCEC-CABCVRRESA-N 1 3 342.484 0.010 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000927816923 611638516 /nfs/dbraw/zinc/63/85/16/611638516.db2.gz XFCVWPVBRWLNJG-HIFRSBDPSA-N 1 3 332.448 0.967 20 0 ECADHO COC(=O)CCNC(=O)CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925717494 608626767 /nfs/dbraw/zinc/62/67/67/608626767.db2.gz KKWAJXLHWLFKJY-HUUCEWRRSA-N 1 3 325.453 0.814 20 0 ECADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCNCCNCC1 ZINC000927877975 611649782 /nfs/dbraw/zinc/64/97/82/611649782.db2.gz KSHXHPLGSBHUCU-UHFFFAOYSA-N 1 3 347.463 0.017 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000925598937 609126113 /nfs/dbraw/zinc/12/61/13/609126113.db2.gz NWIACBCQBQFMSC-CMPLNLGQSA-N 1 3 325.425 0.981 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@@H]3CCN(C)[C@H]3C)CCC2)CC[N@@H+]1C ZINC000928435976 611687740 /nfs/dbraw/zinc/68/77/40/611687740.db2.gz DYRXLZWRPNWZRA-LXTVHRRPSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@@H]3CCN(C)[C@H]3C)CCC2)CC[N@H+]1C ZINC000928435976 611687742 /nfs/dbraw/zinc/68/77/42/611687742.db2.gz DYRXLZWRPNWZRA-LXTVHRRPSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)CCC2)CCN1C ZINC000928435976 611687746 /nfs/dbraw/zinc/68/77/46/611687746.db2.gz DYRXLZWRPNWZRA-LXTVHRRPSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)CCC2)CCN1C ZINC000928435976 611687749 /nfs/dbraw/zinc/68/77/49/611687749.db2.gz DYRXLZWRPNWZRA-LXTVHRRPSA-N 1 3 336.480 0.574 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000932949650 611691286 /nfs/dbraw/zinc/69/12/86/611691286.db2.gz NDYLJDAARVYMRK-OAHLLOKOSA-N 1 3 332.514 0.013 20 0 ECADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000932949650 611691288 /nfs/dbraw/zinc/69/12/88/611691288.db2.gz NDYLJDAARVYMRK-OAHLLOKOSA-N 1 3 332.514 0.013 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](C)CN1CCN(C)CC1 ZINC000920993312 609695628 /nfs/dbraw/zinc/69/56/28/609695628.db2.gz IFQAYGPCSUOOEK-JKSUJKDBSA-N 1 3 341.569 0.818 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H](C)CN1CCN(C)CC1 ZINC000920993312 609695629 /nfs/dbraw/zinc/69/56/29/609695629.db2.gz IFQAYGPCSUOOEK-JKSUJKDBSA-N 1 3 341.569 0.818 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000921112002 609698604 /nfs/dbraw/zinc/69/86/04/609698604.db2.gz NAYAVHIAEXEBPC-OAGGEKHMSA-N 1 3 327.469 0.306 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CCN1C ZINC000925334489 609698619 /nfs/dbraw/zinc/69/86/19/609698619.db2.gz KVUGLZVHHVOJPF-NVXWUHKLSA-N 1 3 337.512 0.748 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC000938320173 609733755 /nfs/dbraw/zinc/73/37/55/609733755.db2.gz DCEBKRSGQCRPOA-LSDHHAIUSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N(C)Cc1ccccc1 ZINC000911010224 609793785 /nfs/dbraw/zinc/79/37/85/609793785.db2.gz XJEMRRRIZUTCCV-BFYDXBDKSA-N 1 3 346.475 0.676 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911161239 609817655 /nfs/dbraw/zinc/81/76/55/609817655.db2.gz JJDZMWDIKIGILM-RKVPGOIHSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CCSC1 ZINC000911201621 609823954 /nfs/dbraw/zinc/82/39/54/609823954.db2.gz XKSFHSMJSPASSP-CJNGLKHVSA-N 1 3 342.509 0.188 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000911279754 609836504 /nfs/dbraw/zinc/83/65/04/609836504.db2.gz FFXQBRYDTNVMQC-UHFFFAOYSA-N 1 3 346.475 0.652 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)C(C)C ZINC000911257267 609837702 /nfs/dbraw/zinc/83/77/02/609837702.db2.gz FVXQQPYZLPHAIZ-CQSZACIVSA-N 1 3 326.485 0.679 20 0 ECADHO CN1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[N@@H+]3C)cn2)CC1 ZINC000913983718 609840162 /nfs/dbraw/zinc/84/01/62/609840162.db2.gz VHOIMFFPJWWEFK-HNNXBMFYSA-N 1 3 332.452 0.337 20 0 ECADHO CN1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[N@H+]3C)cn2)CC1 ZINC000913983718 609840163 /nfs/dbraw/zinc/84/01/63/609840163.db2.gz VHOIMFFPJWWEFK-HNNXBMFYSA-N 1 3 332.452 0.337 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911328358 609849231 /nfs/dbraw/zinc/84/92/31/609849231.db2.gz GCNRUZJEQVYQFA-YJBOKZPZSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCCNCC1)c1cccnc1 ZINC000911421074 609865035 /nfs/dbraw/zinc/86/50/35/609865035.db2.gz UEZFJIUUNWSHFO-OAHLLOKOSA-N 1 3 333.436 0.013 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)N1CCC[C@@H](C)C1 ZINC000911401120 609867248 /nfs/dbraw/zinc/86/72/48/609867248.db2.gz OTIMGYGNQMQUBT-LVQVYYBASA-N 1 3 338.496 0.585 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000911402800 609868163 /nfs/dbraw/zinc/86/81/63/609868163.db2.gz ZQZRKUDQHPGEKE-OAGGEKHMSA-N 1 3 336.480 0.435 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911519176 609891052 /nfs/dbraw/zinc/89/10/52/609891052.db2.gz GIKZTBUUDRNYDF-CQSZACIVSA-N 1 3 336.436 0.284 20 0 ECADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCc1cncn1C ZINC000939421708 610191213 /nfs/dbraw/zinc/19/12/13/610191213.db2.gz KKFRJNXNXUDFII-RHSMWYFYSA-N 1 3 349.479 0.467 20 0 ECADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941410614 610301557 /nfs/dbraw/zinc/30/15/57/610301557.db2.gz JPDWLGQBJLQYMA-GOSISDBHSA-N 1 3 334.508 0.957 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000940616719 610319844 /nfs/dbraw/zinc/31/98/44/610319844.db2.gz IXPRYWHFJHALOO-OWCLPIDISA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)N(C)C ZINC000941489005 610339569 /nfs/dbraw/zinc/33/95/69/610339569.db2.gz SLNZMZHVJZJRPO-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)N(C)C ZINC000941489005 610339570 /nfs/dbraw/zinc/33/95/70/610339570.db2.gz SLNZMZHVJZJRPO-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941675645 610448517 /nfs/dbraw/zinc/44/85/17/610448517.db2.gz BJUGBYGPXRADQD-MRXNPFEDSA-N 1 3 348.491 0.485 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC000941693749 610467313 /nfs/dbraw/zinc/46/73/13/610467313.db2.gz DCEBKRSGQCRPOA-HUUCEWRRSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000941305285 610657518 /nfs/dbraw/zinc/65/75/18/610657518.db2.gz IMAXXNHFZZSBTD-GOEBONIOSA-N 1 3 336.480 0.387 20 0 ECADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000942875453 610667054 /nfs/dbraw/zinc/66/70/54/610667054.db2.gz PNYBGMVEIBIVGG-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO CC1CC(C[NH+]2CC(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)C2)C1 ZINC000941345579 610683018 /nfs/dbraw/zinc/68/30/18/610683018.db2.gz XXTJAYWFLUCUMP-HTWSVDAQSA-N 1 3 334.508 0.955 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000944081300 611117217 /nfs/dbraw/zinc/11/72/17/611117217.db2.gz QRPWIOGIUZJLJK-CVEARBPZSA-N 1 3 348.491 0.530 20 0 ECADHO NCC(C[NH3+])NCc1cc2c(cc1Br)OCCCO2 ZINC000923358749 611232679 /nfs/dbraw/zinc/23/26/79/611232679.db2.gz GXLVOABZNPSTNL-UHFFFAOYSA-N 1 3 330.226 0.986 20 0 ECADHO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1 ZINC000946893083 611232710 /nfs/dbraw/zinc/23/27/10/611232710.db2.gz ZWFMNEIFGRNOID-IYBDPMFKSA-N 1 3 336.480 0.341 20 0 ECADHO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1 ZINC000946893083 611232711 /nfs/dbraw/zinc/23/27/11/611232711.db2.gz ZWFMNEIFGRNOID-IYBDPMFKSA-N 1 3 336.480 0.341 20 0 ECADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC000923387355 611236648 /nfs/dbraw/zinc/23/66/48/611236648.db2.gz DCXALSVFQXBDKN-KQNIOZCHSA-N 1 3 328.478 0.651 20 0 ECADHO O=C1c2ccccc2C(=O)N1CCCCN1CCNCC[NH2+]CC1 ZINC000923465890 611246333 /nfs/dbraw/zinc/24/63/33/611246333.db2.gz FYPMDWXPHXCRER-UHFFFAOYSA-N 1 3 330.432 0.558 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923499901 611251990 /nfs/dbraw/zinc/25/19/90/611251990.db2.gz MVAFOWLNHPTGLV-ZIAGYGMSSA-N 1 3 326.441 0.204 20 0 ECADHO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)N1CCNCC1 ZINC000923590465 611270997 /nfs/dbraw/zinc/27/09/97/611270997.db2.gz XMIQOVZWIPFQHP-UHFFFAOYSA-N 1 3 340.493 0.766 20 0 ECADHO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)N1CCNCC1 ZINC000923590465 611270999 /nfs/dbraw/zinc/27/09/99/611270999.db2.gz XMIQOVZWIPFQHP-UHFFFAOYSA-N 1 3 340.493 0.766 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949089852 611850674 /nfs/dbraw/zinc/85/06/74/611850674.db2.gz RLXQMCYWTDIRQF-INIZCTEOSA-N 1 3 339.480 0.545 20 0 ECADHO CN(CC(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC000951240137 612098288 /nfs/dbraw/zinc/09/82/88/612098288.db2.gz CRKLMXQDLKCUNI-OAHLLOKOSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000951421379 612222582 /nfs/dbraw/zinc/22/25/82/612222582.db2.gz OCULTUQXIAVHGV-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000953815706 612311259 /nfs/dbraw/zinc/31/12/59/612311259.db2.gz AYJZKHXZMUKKBV-MRXNPFEDSA-N 1 3 348.491 0.626 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954495900 612329070 /nfs/dbraw/zinc/32/90/70/612329070.db2.gz MZYVUZTXLDWDAH-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954495900 612329074 /nfs/dbraw/zinc/32/90/74/612329074.db2.gz MZYVUZTXLDWDAH-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954502962 612340149 /nfs/dbraw/zinc/34/01/49/612340149.db2.gz DCUNGRMPBKJKBQ-INIZCTEOSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954814870 612708677 /nfs/dbraw/zinc/70/86/77/612708677.db2.gz JUCTWFYJKJARPF-DLBZAZTESA-N 1 3 348.491 0.624 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954276330 612817650 /nfs/dbraw/zinc/81/76/50/612817650.db2.gz RKAGYYNARRTGGZ-HOTGVXAUSA-N 1 3 336.480 0.623 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954276330 612817651 /nfs/dbraw/zinc/81/76/51/612817651.db2.gz RKAGYYNARRTGGZ-HOTGVXAUSA-N 1 3 336.480 0.623 20 0 ECADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CCC1 ZINC000954357460 612874788 /nfs/dbraw/zinc/87/47/88/612874788.db2.gz UWWZVCDTUZQALQ-INIZCTEOSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000954410018 612896139 /nfs/dbraw/zinc/89/61/39/612896139.db2.gz HUVQCNPHQPQJKH-IIAWOOMASA-N 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ZINC001078073476 782252913 /nfs/dbraw/zinc/25/29/13/782252913.db2.gz HZXBAPQETXOSLX-DZGCQCFKSA-N 1 3 338.496 0.679 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1=O ZINC000969956458 732561381 /nfs/dbraw/zinc/56/13/81/732561381.db2.gz WMWIYHPOEKDEJE-ZIAGYGMSSA-N 1 3 349.431 0.681 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1=O ZINC000969956458 732561385 /nfs/dbraw/zinc/56/13/85/732561385.db2.gz WMWIYHPOEKDEJE-ZIAGYGMSSA-N 1 3 349.431 0.681 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)CCC[NH+](C)C)N(C)C ZINC001078083371 782276764 /nfs/dbraw/zinc/27/67/64/782276764.db2.gz AVMOFHWODHRLOC-HOCLYGCPSA-N 1 3 328.501 0.925 20 0 ECADHO Cn1cc(CN2CC[C@]3(CCN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)cn1 ZINC001041829377 782290385 /nfs/dbraw/zinc/29/03/85/782290385.db2.gz STQIYHRZZGBRNB-WMZOPIPTSA-N 1 3 331.464 0.796 20 0 ECADHO Cn1cc(CN2CC[C@]3(CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)cn1 ZINC001041829377 782290393 /nfs/dbraw/zinc/29/03/93/782290393.db2.gz 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CN1CC[C@H](N[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1=O ZINC000970271158 733286144 /nfs/dbraw/zinc/28/61/44/733286144.db2.gz YDBPJRLOGJJTRH-SJORKVTESA-N 1 3 344.459 0.783 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC000970478090 733592350 /nfs/dbraw/zinc/59/23/50/733592350.db2.gz HLNJLARFZAYSHG-GOEBONIOSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC000970478090 733592354 /nfs/dbraw/zinc/59/23/54/733592354.db2.gz HLNJLARFZAYSHG-GOEBONIOSA-N 1 3 347.463 0.826 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000970478546 733593168 /nfs/dbraw/zinc/59/31/68/733593168.db2.gz LNLQLVWPRSFUHE-DOTOQJQBSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000970478546 733593170 /nfs/dbraw/zinc/59/31/70/733593170.db2.gz LNLQLVWPRSFUHE-DOTOQJQBSA-N 1 3 344.459 0.818 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000971204514 734357985 /nfs/dbraw/zinc/35/79/85/734357985.db2.gz LQSTUQLEGRUFFU-HOTGVXAUSA-N 1 3 334.468 0.522 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000971204514 734357987 /nfs/dbraw/zinc/35/79/87/734357987.db2.gz LQSTUQLEGRUFFU-HOTGVXAUSA-N 1 3 334.468 0.522 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)C1 ZINC000971667015 734932426 /nfs/dbraw/zinc/93/24/26/734932426.db2.gz HFOOONUNMDTWGK-DLBZAZTESA-N 1 3 348.495 0.789 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)C1 ZINC000971667015 734932428 /nfs/dbraw/zinc/93/24/28/734932428.db2.gz HFOOONUNMDTWGK-DLBZAZTESA-N 1 3 348.495 0.789 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCc3ccnn3C)C2)CCC1 ZINC000971675092 734935988 /nfs/dbraw/zinc/93/59/88/734935988.db2.gz XIGASZKQQOFJPQ-INIZCTEOSA-N 1 3 333.480 0.980 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccnn3C)C2)CCC1 ZINC000971675092 734935989 /nfs/dbraw/zinc/93/59/89/734935989.db2.gz XIGASZKQQOFJPQ-INIZCTEOSA-N 1 3 333.480 0.980 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC000971677340 734941400 /nfs/dbraw/zinc/94/14/00/734941400.db2.gz ISZBPJCANXYEBK-INIZCTEOSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC000971677340 734941403 /nfs/dbraw/zinc/94/14/03/734941403.db2.gz ISZBPJCANXYEBK-INIZCTEOSA-N 1 3 348.495 0.912 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971678096 734941674 /nfs/dbraw/zinc/94/16/74/734941674.db2.gz MCIILGJKNKBDDP-NVXWUHKLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1)C1CC1 ZINC000971684486 734949988 /nfs/dbraw/zinc/94/99/88/734949988.db2.gz HWGNMLBCLWDPHF-DLBZAZTESA-N 1 3 333.480 0.836 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2ccnn2C)C1)C1CC1 ZINC000971684486 734949990 /nfs/dbraw/zinc/94/99/90/734949990.db2.gz HWGNMLBCLWDPHF-DLBZAZTESA-N 1 3 333.480 0.836 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC000971800075 735078432 /nfs/dbraw/zinc/07/84/32/735078432.db2.gz HURSJVQIZJOQNI-IRXDYDNUSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC000971800075 735078433 /nfs/dbraw/zinc/07/84/33/735078433.db2.gz HURSJVQIZJOQNI-IRXDYDNUSA-N 1 3 348.495 0.912 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)CCN2CCCC2=O)C1)[NH+](C)C ZINC000972267943 735865157 /nfs/dbraw/zinc/86/51/57/735865157.db2.gz VQTQGUXISUCBMF-DOTOQJQBSA-N 1 3 338.496 0.728 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)Cc3nc[nH]c3C)C2)n1 ZINC001023024995 736408880 /nfs/dbraw/zinc/40/88/80/736408880.db2.gz QANVTJSYQAKCQN-OKILXGFUSA-N 1 3 331.424 0.406 20 0 ECADHO C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNCc2cnnn2C)C1 ZINC001087236784 736492380 /nfs/dbraw/zinc/49/23/80/736492380.db2.gz LEPOXVVSZFUVRR-CABCVRRESA-N 1 3 346.479 0.628 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001023125450 736520735 /nfs/dbraw/zinc/52/07/35/736520735.db2.gz QZTPQHWDHIGAAS-TUVASFSCSA-N 1 3 334.468 0.908 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001023130474 736525782 /nfs/dbraw/zinc/52/57/82/736525782.db2.gz QBAAUBTWHAXUBE-BBWFWOEESA-N 1 3 346.475 0.997 20 0 ECADHO COCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023499945 736924396 /nfs/dbraw/zinc/92/43/96/736924396.db2.gz MKSJVZUHLOLJKN-JBCIKUTRSA-N 1 3 337.464 0.324 20 0 ECADHO COCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023499945 736924401 /nfs/dbraw/zinc/92/44/01/736924401.db2.gz MKSJVZUHLOLJKN-JBCIKUTRSA-N 1 3 337.464 0.324 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000972734075 737563782 /nfs/dbraw/zinc/56/37/82/737563782.db2.gz VHLMMUQAFGHOQX-IRXDYDNUSA-N 1 3 348.495 0.769 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000972734075 737563784 /nfs/dbraw/zinc/56/37/84/737563784.db2.gz VHLMMUQAFGHOQX-IRXDYDNUSA-N 1 3 348.495 0.769 20 0 ECADHO CN(CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001024017327 737620042 /nfs/dbraw/zinc/62/00/42/737620042.db2.gz DOCGJOGUCREPRO-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000973295736 739060794 /nfs/dbraw/zinc/06/07/94/739060794.db2.gz OQHONFYMCULAOT-YHUYYLMFSA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000973295736 739060798 /nfs/dbraw/zinc/06/07/98/739060798.db2.gz OQHONFYMCULAOT-YHUYYLMFSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001006460183 751410266 /nfs/dbraw/zinc/41/02/66/751410266.db2.gz ZQURCWVZAIHNNX-CZUORRHYSA-N 1 3 348.491 0.386 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cc3nc[nH]c3C)C2)CC[N@@H+]1C ZINC000973334384 739108707 /nfs/dbraw/zinc/10/87/07/739108707.db2.gz FJRFVUXZJZTBBR-RZLSGREXSA-N 1 3 347.463 0.754 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cc3nc[nH]c3C)C2)CC[N@H+]1C ZINC000973334384 739108710 /nfs/dbraw/zinc/10/87/10/739108710.db2.gz FJRFVUXZJZTBBR-RZLSGREXSA-N 1 3 347.463 0.754 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001104641480 739350317 /nfs/dbraw/zinc/35/03/17/739350317.db2.gz TVWQMGLWACBZKI-BFYDXBDKSA-N 1 3 340.512 0.735 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001104676390 739457196 /nfs/dbraw/zinc/45/71/96/739457196.db2.gz IBXWAFXBJKUEEV-BZUAXINKSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000973550039 739513643 /nfs/dbraw/zinc/51/36/43/739513643.db2.gz UVSLDBREUKJZMY-FZKCQIBNSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000973550039 739513646 /nfs/dbraw/zinc/51/36/46/739513646.db2.gz UVSLDBREUKJZMY-FZKCQIBNSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025780043 739938221 /nfs/dbraw/zinc/93/82/21/739938221.db2.gz MYALIPFEHVPEGB-DMRKSPOLSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025780043 739938222 /nfs/dbraw/zinc/93/82/22/739938222.db2.gz MYALIPFEHVPEGB-DMRKSPOLSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025780045 739938308 /nfs/dbraw/zinc/93/83/08/739938308.db2.gz NIIKMGFWZGYBCW-JKJDWNRSSA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025780045 739938309 /nfs/dbraw/zinc/93/83/09/739938309.db2.gz NIIKMGFWZGYBCW-JKJDWNRSSA-N 1 3 334.464 0.184 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025782061 739940851 /nfs/dbraw/zinc/94/08/51/739940851.db2.gz XXKXEGIORHEFQU-SMLCLMEVSA-N 1 3 344.463 0.199 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025782061 739940857 /nfs/dbraw/zinc/94/08/57/739940857.db2.gz XXKXEGIORHEFQU-SMLCLMEVSA-N 1 3 344.463 0.199 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799075 739968416 /nfs/dbraw/zinc/96/84/16/739968416.db2.gz SZNRWKVBADZITI-IECFSIQFSA-N 1 3 349.475 0.323 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799075 739968417 /nfs/dbraw/zinc/96/84/17/739968417.db2.gz SZNRWKVBADZITI-IECFSIQFSA-N 1 3 349.475 0.323 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001026140090 740409840 /nfs/dbraw/zinc/40/98/40/740409840.db2.gz HFNVBHZNLYGPDG-SMLCLMEVSA-N 1 3 346.479 0.445 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001104809738 740543283 /nfs/dbraw/zinc/54/32/83/740543283.db2.gz QCXCNNUMPJAPAE-HUUCEWRRSA-N 1 3 336.484 0.731 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001104809712 740543384 /nfs/dbraw/zinc/54/33/84/740543384.db2.gz PRERQBITOHMVGY-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(=O)N4CCC4)[C@H]3C2)CCC1 ZINC001026285425 740747106 /nfs/dbraw/zinc/74/71/06/740747106.db2.gz ZVSIREURSGTXOC-JYJNAYRXSA-N 1 3 348.491 0.530 20 0 ECADHO Cn1ncnc1CN[C@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001026346176 740975153 /nfs/dbraw/zinc/97/51/53/740975153.db2.gz FDVFTKVDCAFJFW-JYJNAYRXSA-N 1 3 346.479 0.484 20 0 ECADHO CCn1nncc1CNCC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008264 741160426 /nfs/dbraw/zinc/16/04/26/741160426.db2.gz WILICRWIUKXLHJ-OAGGEKHMSA-N 1 3 348.495 0.824 20 0 ECADHO CCn1nncc1CNCC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008264 741160428 /nfs/dbraw/zinc/16/04/28/741160428.db2.gz WILICRWIUKXLHJ-OAGGEKHMSA-N 1 3 348.495 0.824 20 0 ECADHO O=C(N1C[C@@H]2CC[C@@H](NCc3cnns3)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001026400027 741238269 /nfs/dbraw/zinc/23/82/69/741238269.db2.gz CBYKCWKDNZWHGX-NWANDNLSSA-N 1 3 347.488 0.961 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105243084 741543998 /nfs/dbraw/zinc/54/39/98/741543998.db2.gz UPMKSXLDUKFAHY-KRWDZBQOSA-N 1 3 346.479 0.749 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001026728154 741719671 /nfs/dbraw/zinc/71/96/71/741719671.db2.gz ZOQDBZIPSRZJLA-RDJZCZTQSA-N 1 3 344.459 0.818 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001026853303 741970841 /nfs/dbraw/zinc/97/08/41/741970841.db2.gz CTZSMLFYKJYPDD-VNHYZAJKSA-N 1 3 336.436 0.962 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001026853303 741970843 /nfs/dbraw/zinc/97/08/43/741970843.db2.gz CTZSMLFYKJYPDD-VNHYZAJKSA-N 1 3 336.436 0.962 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC001026885696 742026517 /nfs/dbraw/zinc/02/65/17/742026517.db2.gz LVNRBEAVZAILOM-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)nn1 ZINC001026920834 742087072 /nfs/dbraw/zinc/08/70/72/742087072.db2.gz IMNAQZCFKLFTPF-HOCLYGCPSA-N 1 3 347.463 0.908 20 0 ECADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001026938262 742129845 /nfs/dbraw/zinc/12/98/45/742129845.db2.gz BDKSGNFHMOKZOX-OAHLLOKOSA-N 1 3 331.464 0.987 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001027065377 742437080 /nfs/dbraw/zinc/43/70/80/742437080.db2.gz XJYJOWWORADLAL-HUUCEWRRSA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001027065377 742437084 /nfs/dbraw/zinc/43/70/84/742437084.db2.gz XJYJOWWORADLAL-HUUCEWRRSA-N 1 3 334.468 0.578 20 0 ECADHO CN1CCC[C@@H](N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028933865 742906291 /nfs/dbraw/zinc/90/62/91/742906291.db2.gz UOJLPLKIBJCCDO-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027171403 742993655 /nfs/dbraw/zinc/99/36/55/742993655.db2.gz YXHGVPLDYHMFND-CABCVRRESA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027171403 742993661 /nfs/dbraw/zinc/99/36/61/742993661.db2.gz YXHGVPLDYHMFND-CABCVRRESA-N 1 3 334.468 0.578 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065140 743472204 /nfs/dbraw/zinc/47/22/04/743472204.db2.gz CWGVSGVJUDJKQN-XJKSGUPXSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC000997392270 743564978 /nfs/dbraw/zinc/56/49/78/743564978.db2.gz IIXVDGDEKPOQIM-UKRRQHHQSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC000997392270 743564982 /nfs/dbraw/zinc/56/49/82/743564982.db2.gz IIXVDGDEKPOQIM-UKRRQHHQSA-N 1 3 336.480 0.386 20 0 ECADHO COc1nccc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001020586195 751845321 /nfs/dbraw/zinc/84/53/21/751845321.db2.gz IAAGHYXXSGLJNX-BPLDGKMQSA-N 1 3 333.436 0.706 20 0 ECADHO COc1nccc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001020586195 751845331 /nfs/dbraw/zinc/84/53/31/751845331.db2.gz IAAGHYXXSGLJNX-BPLDGKMQSA-N 1 3 333.436 0.706 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)C1 ZINC001020589943 751853533 /nfs/dbraw/zinc/85/35/33/751853533.db2.gz IGVMDLCWTXNZJU-QBYUYEEZSA-N 1 3 348.491 0.718 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1=O ZINC001020590431 751855932 /nfs/dbraw/zinc/85/59/32/751855932.db2.gz WKQFBBNGBVGYTP-ABHRYQDASA-N 1 3 349.431 0.583 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1=O ZINC001020590431 751855938 /nfs/dbraw/zinc/85/59/38/751855938.db2.gz WKQFBBNGBVGYTP-ABHRYQDASA-N 1 3 349.431 0.583 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN([C@@H]2CCCNC2=O)CC1 ZINC000997835976 743844139 /nfs/dbraw/zinc/84/41/39/743844139.db2.gz FGHLJMGODDOINW-GOEBONIOSA-N 1 3 348.491 0.578 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001020593108 751865373 /nfs/dbraw/zinc/86/53/73/751865373.db2.gz XFCIXDHGRHLOTQ-MXAVVETBSA-N 1 3 333.436 0.420 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001020593108 751865381 /nfs/dbraw/zinc/86/53/81/751865381.db2.gz XFCIXDHGRHLOTQ-MXAVVETBSA-N 1 3 333.436 0.420 20 0 ECADHO Cn1cc(CNCC2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)nn1 ZINC000998080907 743965857 /nfs/dbraw/zinc/96/58/57/743965857.db2.gz FOSXXLJKCCJMBM-UHFFFAOYSA-N 1 3 348.495 0.875 20 0 ECADHO Cn1cc(CNCC2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)nn1 ZINC000998080907 743965859 /nfs/dbraw/zinc/96/58/59/743965859.db2.gz FOSXXLJKCCJMBM-UHFFFAOYSA-N 1 3 348.495 0.875 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC000998082197 743967962 /nfs/dbraw/zinc/96/79/62/743967962.db2.gz OEIPGTOWBJESNO-ZBFHGGJFSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000976534663 744060141 /nfs/dbraw/zinc/06/01/41/744060141.db2.gz BBKKVMHZAAJTRN-OWYFMNJBSA-N 1 3 336.480 0.097 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000976534663 744060143 /nfs/dbraw/zinc/06/01/43/744060143.db2.gz BBKKVMHZAAJTRN-OWYFMNJBSA-N 1 3 336.480 0.097 20 0 ECADHO O=C(N1CCC(CNCc2cnns2)CC1)C12CC[NH+](CC1)C2 ZINC000998224073 744061557 /nfs/dbraw/zinc/06/15/57/744061557.db2.gz WWSJRPQHMNJSLH-UHFFFAOYSA-N 1 3 335.477 0.962 20 0 ECADHO COc1nccc(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998271756 744091098 /nfs/dbraw/zinc/09/10/98/744091098.db2.gz IOROWMCJICVTRM-HNNXBMFYSA-N 1 3 347.463 0.765 20 0 ECADHO COc1nccc(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998271756 744091103 /nfs/dbraw/zinc/09/11/03/744091103.db2.gz IOROWMCJICVTRM-HNNXBMFYSA-N 1 3 347.463 0.765 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976663910 744196440 /nfs/dbraw/zinc/19/64/40/744196440.db2.gz UQLKRRJIIFUFOS-RMWBKXBUSA-N 1 3 348.491 0.528 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000998725197 744299506 /nfs/dbraw/zinc/29/95/06/744299506.db2.gz VOJRXFBVSFGYEI-DLBZAZTESA-N 1 3 344.459 0.960 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CCn2cncn2)CC1 ZINC001167900939 751912203 /nfs/dbraw/zinc/91/22/03/751912203.db2.gz NZRMGHUEBHJPKV-UHFFFAOYSA-N 1 3 331.424 0.428 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000976867735 744423480 /nfs/dbraw/zinc/42/34/80/744423480.db2.gz MACNKEZJHRHMDB-DNBIXMRYSA-N 1 3 348.491 0.241 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000976867735 744423483 /nfs/dbraw/zinc/42/34/83/744423483.db2.gz MACNKEZJHRHMDB-DNBIXMRYSA-N 1 3 348.491 0.241 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CCC1 ZINC000999349732 744643664 /nfs/dbraw/zinc/64/36/64/744643664.db2.gz UIPRINJDSWTJDR-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1)C1CC1 ZINC000999370976 744662166 /nfs/dbraw/zinc/66/21/66/744662166.db2.gz MATBFCRPXVSCKM-WBVHZDCISA-N 1 3 333.480 0.883 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999373678 744664111 /nfs/dbraw/zinc/66/41/11/744664111.db2.gz QWVTZYRFKPBTEC-ZBFHGGJFSA-N 1 3 334.468 0.719 20 0 ECADHO C[N@H+]([C@H]1CCNC1=O)[C@@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC001027481474 744730683 /nfs/dbraw/zinc/73/06/83/744730683.db2.gz RYOPBETVXAWSRH-ZBFHGGJFSA-N 1 3 341.415 0.759 20 0 ECADHO C[N@@H+]([C@H]1CCNC1=O)[C@@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC001027481474 744730684 /nfs/dbraw/zinc/73/06/84/744730684.db2.gz RYOPBETVXAWSRH-ZBFHGGJFSA-N 1 3 341.415 0.759 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC000977198067 744773471 /nfs/dbraw/zinc/77/34/71/744773471.db2.gz XTKTXPVKOXSOMA-POORBHPNSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC000977198067 744773473 /nfs/dbraw/zinc/77/34/73/744773473.db2.gz XTKTXPVKOXSOMA-POORBHPNSA-N 1 3 348.491 0.528 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020675715 751959367 /nfs/dbraw/zinc/95/93/67/751959367.db2.gz BVBKGYLHPUWOHM-JYJNAYRXSA-N 1 3 334.468 0.778 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000999876332 744984163 /nfs/dbraw/zinc/98/41/63/744984163.db2.gz GZOXJHJFQUCQNN-ILXRZTDVSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000999876332 744984165 /nfs/dbraw/zinc/98/41/65/744984165.db2.gz GZOXJHJFQUCQNN-ILXRZTDVSA-N 1 3 336.480 0.386 20 0 ECADHO CC1(C)CCN(CC(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000999895873 745028354 /nfs/dbraw/zinc/02/83/54/745028354.db2.gz MGXUKHMSAYLDDV-MRXNPFEDSA-N 1 3 348.491 0.387 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CC(NC(=O)CN2CCC(C)(C)C2)C1)C1CC1 ZINC000999906213 745044557 /nfs/dbraw/zinc/04/45/57/745044557.db2.gz UYQBHGOVVDRQPL-MRXNPFEDSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000999906177 745044972 /nfs/dbraw/zinc/04/49/72/745044972.db2.gz UOBTXZIFOQJLSM-DZGCQCFKSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000999906177 745044975 /nfs/dbraw/zinc/04/49/75/745044975.db2.gz UOBTXZIFOQJLSM-DZGCQCFKSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101436 745073550 /nfs/dbraw/zinc/07/35/50/745073550.db2.gz GMOSCNKOFNBVPG-CKEIUWERSA-N 1 3 348.495 0.872 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101436 745073556 /nfs/dbraw/zinc/07/35/56/745073556.db2.gz GMOSCNKOFNBVPG-CKEIUWERSA-N 1 3 348.495 0.872 20 0 ECADHO Cc1nnc(CN[C@H](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001029170260 745200239 /nfs/dbraw/zinc/20/02/39/745200239.db2.gz LKDIBNCIYQTIOF-IUODEOHRSA-N 1 3 334.468 0.782 20 0 ECADHO Cc1nnc(CN[C@H](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001029170260 745200242 /nfs/dbraw/zinc/20/02/42/745200242.db2.gz LKDIBNCIYQTIOF-IUODEOHRSA-N 1 3 334.468 0.782 20 0 ECADHO CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535796 745212268 /nfs/dbraw/zinc/21/22/68/745212268.db2.gz ASWNCVLQQVVXFA-IGCXYCKISA-N 1 3 333.436 0.305 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)n1 ZINC001000195239 745330983 /nfs/dbraw/zinc/33/09/83/745330983.db2.gz XUDIMKRDVNFRQG-YOEHRIQHSA-N 1 3 348.495 0.960 20 0 ECADHO Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC001000315718 745423804 /nfs/dbraw/zinc/42/38/04/745423804.db2.gz CPSMLLDBKWATDI-CQSZACIVSA-N 1 3 329.404 0.432 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000977813882 745515548 /nfs/dbraw/zinc/51/55/48/745515548.db2.gz FYJUOLZDRWASGH-BPLDGKMQSA-N 1 3 333.436 0.352 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000977813882 745515550 /nfs/dbraw/zinc/51/55/50/745515550.db2.gz FYJUOLZDRWASGH-BPLDGKMQSA-N 1 3 333.436 0.352 20 0 ECADHO O=C(NC[C@H]1CCCN1CCCN1CCCC1=O)C12CC[NH+](CC1)C2 ZINC001028268562 752015158 /nfs/dbraw/zinc/01/51/58/752015158.db2.gz VOQAWCZMVRLXDI-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO CCN1CC[C@H](N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000712953 745716542 /nfs/dbraw/zinc/71/65/42/745716542.db2.gz UFBUSEDACYALQZ-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001000916439 745895543 /nfs/dbraw/zinc/89/55/43/745895543.db2.gz ICYCCVWSUOMJLG-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001000916439 745895547 /nfs/dbraw/zinc/89/55/47/745895547.db2.gz ICYCCVWSUOMJLG-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978158 745947500 /nfs/dbraw/zinc/94/75/00/745947500.db2.gz SOATWMDKWOUNNI-WAZRQNRBSA-N 1 3 349.475 0.633 20 0 ECADHO CO[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978158 745947504 /nfs/dbraw/zinc/94/75/04/745947504.db2.gz SOATWMDKWOUNNI-WAZRQNRBSA-N 1 3 349.475 0.633 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001000990719 745956820 /nfs/dbraw/zinc/95/68/20/745956820.db2.gz HSTJSWRWYQTYPT-IAGOWNOFSA-N 1 3 344.459 0.831 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001059351401 746181680 /nfs/dbraw/zinc/18/16/80/746181680.db2.gz CIBDFBXWZWRCGM-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001059351401 746181683 /nfs/dbraw/zinc/18/16/83/746181683.db2.gz CIBDFBXWZWRCGM-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(NCC1CCN([C@@H]2CCCNC2=O)CC1)C12CCC[NH+]1CCC2 ZINC001001582876 746512744 /nfs/dbraw/zinc/51/27/44/746512744.db2.gz PHODSMRNZJAAHK-MRXNPFEDSA-N 1 3 348.491 0.722 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000978845312 746772702 /nfs/dbraw/zinc/77/27/02/746772702.db2.gz ZZZYLDGSIMZBIQ-MELADBBJSA-N 1 3 333.436 0.223 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978845312 746772706 /nfs/dbraw/zinc/77/27/06/746772706.db2.gz ZZZYLDGSIMZBIQ-MELADBBJSA-N 1 3 333.436 0.223 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000978875619 746841459 /nfs/dbraw/zinc/84/14/59/746841459.db2.gz QKTQIZMUAGCLFL-APIJFGDWSA-N 1 3 347.463 0.612 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000978875619 746841464 /nfs/dbraw/zinc/84/14/64/746841464.db2.gz QKTQIZMUAGCLFL-APIJFGDWSA-N 1 3 347.463 0.612 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000984900337 747077432 /nfs/dbraw/zinc/07/74/32/747077432.db2.gz ZJASEBJEGNMBBS-VHDGCEQUSA-N 1 3 333.436 0.400 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000984900337 747077442 /nfs/dbraw/zinc/07/74/42/747077442.db2.gz ZJASEBJEGNMBBS-VHDGCEQUSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC001002243397 747119008 /nfs/dbraw/zinc/11/90/08/747119008.db2.gz SULNENJNOGICMK-UKRRQHHQSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC001002243397 747119013 /nfs/dbraw/zinc/11/90/13/747119013.db2.gz SULNENJNOGICMK-UKRRQHHQSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C)C(=O)C12CC[NH+](CC1)C2 ZINC001002277657 747156083 /nfs/dbraw/zinc/15/60/83/747156083.db2.gz LCZFTSKVGXYGBA-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000985161537 747491035 /nfs/dbraw/zinc/49/10/35/747491035.db2.gz YTEWLKNWMJCQKT-CWRNSKLLSA-N 1 3 347.463 0.790 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000985161537 747491037 /nfs/dbraw/zinc/49/10/37/747491037.db2.gz YTEWLKNWMJCQKT-CWRNSKLLSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000979317485 747630295 /nfs/dbraw/zinc/63/02/95/747630295.db2.gz ORZIAXTXJVJDMW-HOCLYGCPSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@@H](NCc1ccnn1C)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC000979369683 747695829 /nfs/dbraw/zinc/69/58/29/747695829.db2.gz JKRUKZSVTJBZFI-PBHICJAKSA-N 1 3 349.479 0.467 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCCN(C)C2=O)CC1 ZINC000985327097 747710538 /nfs/dbraw/zinc/71/05/38/747710538.db2.gz CETLONAGWMNVQR-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCCN(C)C2=O)CC1 ZINC000985327097 747710542 /nfs/dbraw/zinc/71/05/42/747710542.db2.gz CETLONAGWMNVQR-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccn(C)c(=O)c2)CC1 ZINC000985328948 747719995 /nfs/dbraw/zinc/71/99/95/747719995.db2.gz ZNKXNMZGKBWAKL-KRWDZBQOSA-N 1 3 346.475 0.902 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccn(C)c(=O)c2)CC1 ZINC000985328948 747719997 /nfs/dbraw/zinc/71/99/97/747719997.db2.gz ZNKXNMZGKBWAKL-KRWDZBQOSA-N 1 3 346.475 0.902 20 0 ECADHO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529889 747753198 /nfs/dbraw/zinc/75/31/98/747753198.db2.gz UCOIGHWVUDVQCX-VKJFTORMSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](NCc1cnn(C)c1)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979453771 747869128 /nfs/dbraw/zinc/86/91/28/747869128.db2.gz QYBQHELRYBKVID-GOEBONIOSA-N 1 3 347.463 0.221 20 0 ECADHO C[C@@H](NCc1cncn1C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979457578 747878176 /nfs/dbraw/zinc/87/81/76/747878176.db2.gz 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C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC001003630037 748743330 /nfs/dbraw/zinc/74/33/30/748743330.db2.gz IGGCHNUGVKHXAK-RHSMWYFYSA-N 1 3 346.475 0.664 20 0 ECADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985619321 748750863 /nfs/dbraw/zinc/75/08/63/748750863.db2.gz QFVSJSIJFVWWSQ-INIZCTEOSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985786413 749097640 /nfs/dbraw/zinc/09/76/40/749097640.db2.gz BVGWRZOERXDHEJ-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985786413 749097648 /nfs/dbraw/zinc/09/76/48/749097648.db2.gz BVGWRZOERXDHEJ-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)C1=O ZINC001051348743 761927691 /nfs/dbraw/zinc/92/76/91/761927691.db2.gz WWVRWFNANJRORM-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001051356861 761932656 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ZINC001049059516 757820841 /nfs/dbraw/zinc/82/08/41/757820841.db2.gz SKOHBTUZXUOLET-HRCADAONSA-N 1 3 332.452 0.010 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)C1 ZINC001049059516 757820857 /nfs/dbraw/zinc/82/08/57/757820857.db2.gz SKOHBTUZXUOLET-HRCADAONSA-N 1 3 332.452 0.010 20 0 ECADHO Cc1nc(CN[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)n[nH]1 ZINC000996519772 757929214 /nfs/dbraw/zinc/92/92/14/757929214.db2.gz LCXXYMPEGHZLQQ-ZDUSSCGKSA-N 1 3 332.452 0.536 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(CCO[C@H]4CC4(F)F)C[C@H]3C2)C1 ZINC001049214769 758337964 /nfs/dbraw/zinc/33/79/64/758337964.db2.gz VPGGTCJWMJAYPX-XQLPTFJDSA-N 1 3 343.418 0.753 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(CCO[C@H]4CC4(F)F)C[C@H]3C2)C1 ZINC001049214769 758337974 /nfs/dbraw/zinc/33/79/74/758337974.db2.gz VPGGTCJWMJAYPX-XQLPTFJDSA-N 1 3 343.418 0.753 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(CCO[C@@H]4CC4(F)F)C[C@H]3C2)C1 ZINC001049214767 758338346 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ECADHO O=C(N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602504 759248175 /nfs/dbraw/zinc/24/81/75/759248175.db2.gz ZBIHQOKENLQFGK-XHSDSOJGSA-N 1 3 337.464 0.203 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001107036671 759464207 /nfs/dbraw/zinc/46/42/07/759464207.db2.gz OWQHSXJZVHBAKU-ZACQAIPSSA-N 1 3 341.496 0.554 20 0 ECADHO COCCN1C[C@@H]2CCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001050048315 759614553 /nfs/dbraw/zinc/61/45/53/759614553.db2.gz QIXHKRCYWIQWOM-DOTOQJQBSA-N 1 3 349.479 0.628 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047867541 759627370 /nfs/dbraw/zinc/62/73/70/759627370.db2.gz KFFFLHBAACKWKB-KBPBESRZSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047891021 759661544 /nfs/dbraw/zinc/66/15/44/759661544.db2.gz PNKCMMLKJIREKB-CABCVRRESA-N 1 3 346.479 0.770 20 0 ECADHO C[C@@H](NCc1cnn(C)n1)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047975890 759761570 /nfs/dbraw/zinc/76/15/70/759761570.db2.gz PAAORDBGJBQGHM-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1cnn(C)n1)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047975890 759761579 /nfs/dbraw/zinc/76/15/79/759761579.db2.gz PAAORDBGJBQGHM-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO COc1cncc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001048061278 759902379 /nfs/dbraw/zinc/90/23/79/759902379.db2.gz AMAQJLWWXQKBPP-CABCVRRESA-N 1 3 347.463 0.908 20 0 ECADHO CN1CCC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050238648 760028987 /nfs/dbraw/zinc/02/89/87/760028987.db2.gz ZJMSHBOSCGTDTN-UKRRQHHQSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001050367518 760189506 /nfs/dbraw/zinc/18/95/06/760189506.db2.gz NBIQGLITMMWSFR-VGWMRTNUSA-N 1 3 336.480 0.481 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000945399909 760221851 /nfs/dbraw/zinc/22/18/51/760221851.db2.gz USQMUKXPXMYXBK-GDBMZVCRSA-N 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ZINC001048441215 760536168 /nfs/dbraw/zinc/53/61/68/760536168.db2.gz OLAWXSWXKXWYQG-GJZGRUSLSA-N 1 3 346.479 0.578 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN([C@H]1CCN(C)C1=O)CC2 ZINC001050662680 760638370 /nfs/dbraw/zinc/63/83/70/760638370.db2.gz MDKYWKNCQYEIDN-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN([C@H]1CCN(C)C1=O)CC2 ZINC001050662680 760638372 /nfs/dbraw/zinc/63/83/72/760638372.db2.gz MDKYWKNCQYEIDN-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2)N(C)C ZINC001050669080 760649307 /nfs/dbraw/zinc/64/93/07/760649307.db2.gz OXGNZGKKGIDRPE-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001048546923 760694456 /nfs/dbraw/zinc/69/44/56/760694456.db2.gz JBRUIJKIZWMPGZ-AJGVQQJJSA-N 1 3 349.475 0.201 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001048546923 760694465 /nfs/dbraw/zinc/69/44/65/760694465.db2.gz JBRUIJKIZWMPGZ-AJGVQQJJSA-N 1 3 349.475 0.201 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753377 760778965 /nfs/dbraw/zinc/77/89/65/760778965.db2.gz KBHZZWXWNARRNE-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753377 760778969 /nfs/dbraw/zinc/77/89/69/760778969.db2.gz KBHZZWXWNARRNE-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO Cn1cc(CN2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)CC2)cn1 ZINC001050754265 760782723 /nfs/dbraw/zinc/78/27/23/760782723.db2.gz UBOZWBHUNWMCQO-INIZCTEOSA-N 1 3 331.464 0.796 20 0 ECADHO Cn1cc(CN2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)CC2)cn1 ZINC001050754265 760782732 /nfs/dbraw/zinc/78/27/32/760782732.db2.gz UBOZWBHUNWMCQO-INIZCTEOSA-N 1 3 331.464 0.796 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N(Cc2ccccn2)C2CCN(CCO)CC2)C1 ZINC001048628783 760815548 /nfs/dbraw/zinc/81/55/48/760815548.db2.gz IQAUXRNKLPOMRH-INIZCTEOSA-N 1 3 346.475 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761029731 /nfs/dbraw/zinc/02/97/31/761029731.db2.gz RUSWHQSXDFXKBN-OWCLPIDISA-N 1 3 347.463 0.795 20 0 ECADHO Cc1noc(CCC[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]3C2)n1 ZINC001048720861 761029741 /nfs/dbraw/zinc/02/97/41/761029741.db2.gz RUSWHQSXDFXKBN-OWCLPIDISA-N 1 3 347.463 0.795 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001017463890 768011031 /nfs/dbraw/zinc/01/10/31/768011031.db2.gz CCTHNRLAOUZJDB-IAGOWNOFSA-N 1 3 348.491 0.697 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001017463890 768011039 /nfs/dbraw/zinc/01/10/39/768011039.db2.gz CCTHNRLAOUZJDB-IAGOWNOFSA-N 1 3 348.491 0.697 20 0 ECADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)N(C)C ZINC001106246827 768011136 /nfs/dbraw/zinc/01/11/36/768011136.db2.gz REGGQWRHWZYALM-QLFBSQMISA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255472 768023171 /nfs/dbraw/zinc/02/31/71/768023171.db2.gz 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CC(C)N1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046904613 763353839 /nfs/dbraw/zinc/35/38/39/763353839.db2.gz VYWUJBASDNFCMA-QAPCUYQASA-N 1 3 347.463 0.790 20 0 ECADHO Cc1ccncc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051930614 763363884 /nfs/dbraw/zinc/36/38/84/763363884.db2.gz PJBYAVQUJQZOQR-DOTOQJQBSA-N 1 3 332.448 0.659 20 0 ECADHO Cc1ccncc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051930614 763363891 /nfs/dbraw/zinc/36/38/91/763363891.db2.gz PJBYAVQUJQZOQR-DOTOQJQBSA-N 1 3 332.448 0.659 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CCO2)cn1 ZINC001051943114 763408398 /nfs/dbraw/zinc/40/83/98/763408398.db2.gz IRORKHJDLYTNJG-QGZVFWFLSA-N 1 3 349.479 0.613 20 0 ECADHO Cc1noc(CCC[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)n1 ZINC001014964283 763559562 /nfs/dbraw/zinc/55/95/62/763559562.db2.gz QOPLDVLPZFBGJY-HUUCEWRRSA-N 1 3 335.452 0.985 20 0 ECADHO Cc1noc(CCC[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)n1 ZINC001014964283 763559569 /nfs/dbraw/zinc/55/95/69/763559569.db2.gz QOPLDVLPZFBGJY-HUUCEWRRSA-N 1 3 335.452 0.985 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@@H](C)C(C)C)CC[N@@H+]1C ZINC001127695657 763563159 /nfs/dbraw/zinc/56/31/59/763563159.db2.gz RZAOWMCVAGRKGM-SOUVJXGZSA-N 1 3 326.485 0.583 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@@H](C)C(C)C)CC[N@H+]1C ZINC001127695657 763563163 /nfs/dbraw/zinc/56/31/63/763563163.db2.gz RZAOWMCVAGRKGM-SOUVJXGZSA-N 1 3 326.485 0.583 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CCN(CC4CC4)CC3)C2)CC[N@@H+]1C ZINC001052029800 763626754 /nfs/dbraw/zinc/62/67/54/763626754.db2.gz BLEHZGKAEVNPOY-BPQIPLTHSA-N 1 3 334.508 0.955 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CCN(CC4CC4)CC3)C2)CC[N@H+]1C ZINC001052029800 763626758 /nfs/dbraw/zinc/62/67/58/763626758.db2.gz BLEHZGKAEVNPOY-BPQIPLTHSA-N 1 3 334.508 0.955 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)Cc1c[nH]cn1 ZINC001015034066 763712769 /nfs/dbraw/zinc/71/27/69/763712769.db2.gz JECJFWNROOQWLH-BBRMVZONSA-N 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764782171 /nfs/dbraw/zinc/78/21/71/764782171.db2.gz UCTCDIUUHZYDGB-NDUQDZPOSA-N 1 3 337.464 0.467 20 0 ECADHO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573129 764782344 /nfs/dbraw/zinc/78/23/44/764782344.db2.gz UCTCDIUUHZYDGB-GARNVTTQSA-N 1 3 337.464 0.467 20 0 ECADHO COCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573129 764782349 /nfs/dbraw/zinc/78/23/49/764782349.db2.gz UCTCDIUUHZYDGB-GARNVTTQSA-N 1 3 337.464 0.467 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCCN1CCCC1=O ZINC001089039550 764841743 /nfs/dbraw/zinc/84/17/43/764841743.db2.gz SQSZDXQBTQQSQK-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCCN1CCCC1=O ZINC001089039550 764841748 /nfs/dbraw/zinc/84/17/48/764841748.db2.gz SQSZDXQBTQQSQK-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(CC2CC(F)(F)C2)C[C@@H]1O ZINC001047629299 764933602 /nfs/dbraw/zinc/93/36/02/764933602.db2.gz 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C[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2N(CCn2cncn2)CC3)CC1 ZINC000992143288 765645372 /nfs/dbraw/zinc/64/53/72/765645372.db2.gz MJPGRIRZOZOPSJ-WMZOPIPTSA-N 1 3 346.479 0.733 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001053290925 765919300 /nfs/dbraw/zinc/91/93/00/765919300.db2.gz XMUMRWZLRKSWNK-HOTGVXAUSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001053503426 766248950 /nfs/dbraw/zinc/24/89/50/766248950.db2.gz LDNCCVLSCSLJOS-HUUCEWRRSA-N 1 3 349.479 0.895 20 0 ECADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001053503711 766249936 /nfs/dbraw/zinc/24/99/36/766249936.db2.gz OVJMRHOEEATQDV-ZIAGYGMSSA-N 1 3 335.452 0.505 20 0 ECADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001053503711 766249941 /nfs/dbraw/zinc/24/99/41/766249941.db2.gz OVJMRHOEEATQDV-ZIAGYGMSSA-N 1 3 335.452 0.505 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001016531365 766448246 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0.438 20 0 ECADHO COCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741458 766829529 /nfs/dbraw/zinc/82/95/29/766829529.db2.gz XHEGWHUMKMQOAA-BWRBCVJASA-N 1 3 349.475 0.467 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)C34CCC[NH+](CCC3)C4)C2)CCC1 ZINC000994848150 766982764 /nfs/dbraw/zinc/98/27/64/766982764.db2.gz RCRJSXNFQXCUBW-UHFFFAOYSA-N 1 3 348.491 0.674 20 0 ECADHO COc1ccc(CNCCNC(=O)c2ccn(CC[NH+](C)C)n2)cn1 ZINC001127575996 767054642 /nfs/dbraw/zinc/05/46/42/767054642.db2.gz GSMXNHCPWJGMKA-UHFFFAOYSA-N 1 3 346.435 0.368 20 0 ECADHO CN(C(=O)CN1CCCC1)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000938683924 767063943 /nfs/dbraw/zinc/06/39/43/767063943.db2.gz SORAABSAYPAXAD-NVXWUHKLSA-N 1 3 336.480 0.482 20 0 ECADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106907972 767104836 /nfs/dbraw/zinc/10/48/36/767104836.db2.gz KLYNKWCXACECBI-BZUAXINKSA-N 1 3 340.512 0.927 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)CN2CC[C@H](C)C2)C1)[NH+](C)C ZINC000938827246 767125524 /nfs/dbraw/zinc/12/55/24/767125524.db2.gz QUNQQOXHUKTUBO-ZOBUZTSGSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)CN2CC[C@H](C)C2)C1)[NH+](C)C ZINC000938827245 767125692 /nfs/dbraw/zinc/12/56/92/767125692.db2.gz QUNQQOXHUKTUBO-YQQAZPJKSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016932926 767341012 /nfs/dbraw/zinc/34/10/12/767341012.db2.gz HCXIOSINMMJKSX-KBPBESRZSA-N 1 3 334.464 0.317 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@]2(C)CCN(C[C@H]3CCc4ncnn43)C2)CC1 ZINC001046596575 767349816 /nfs/dbraw/zinc/34/98/16/767349816.db2.gz ZTUAQRJDGIOABM-QAPCUYQASA-N 1 3 346.479 0.688 20 0 ECADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)[C@@H]2CCNC2=O)C1)C1CCC1 ZINC001017142735 767644595 /nfs/dbraw/zinc/64/45/95/767644595.db2.gz PDFSUDLCZNUCMN-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1)C1CCC1 ZINC001017142735 767644598 /nfs/dbraw/zinc/64/45/98/767644598.db2.gz PDFSUDLCZNUCMN-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NC1CC1 ZINC001127357101 768465110 /nfs/dbraw/zinc/46/51/10/768465110.db2.gz ROMQYESBLZWYBY-AWEZNQCLSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NC1CC1 ZINC001127357101 768465113 /nfs/dbraw/zinc/46/51/13/768465113.db2.gz ROMQYESBLZWYBY-AWEZNQCLSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]CCO ZINC001106666069 768578460 /nfs/dbraw/zinc/57/84/60/768578460.db2.gz GXYDPNRXVBHBJP-CPUCHLNUSA-N 1 3 329.460 0.875 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666056 768578689 /nfs/dbraw/zinc/57/86/89/768578689.db2.gz GIAUQCOQJHDLDR-BZUAXINKSA-N 1 3 338.496 0.491 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106665775 768578745 /nfs/dbraw/zinc/57/87/45/768578745.db2.gz BETRBSKNYRTRFR-RBSFLKMASA-N 1 3 345.509 0.057 20 0 ECADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(N)=O ZINC001106672399 768587218 /nfs/dbraw/zinc/58/72/18/768587218.db2.gz UETFAGBTIXCVIQ-HZSPNIEDSA-N 1 3 326.485 0.522 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1)N(C)C ZINC001106673112 768587793 /nfs/dbraw/zinc/58/77/93/768587793.db2.gz CMUXZFBMDDKNPI-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704929 768693117 /nfs/dbraw/zinc/69/31/17/768693117.db2.gz JNLNUVZYNLZPQW-ZIAGYGMSSA-N 1 3 335.452 0.505 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC2CC2)[C@H](C)C1 ZINC001106784630 768959151 /nfs/dbraw/zinc/95/91/51/768959151.db2.gz KITQGLKRQBVISV-RBSFLKMASA-N 1 3 338.496 0.679 20 0 ECADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797324 769012542 /nfs/dbraw/zinc/01/25/42/769012542.db2.gz NTIUOLSJKKMRLT-ZACQAIPSSA-N 1 3 341.496 0.410 20 0 ECADHO Cn1nnc2cc(C[NH2+][C@H]3CCN(C(=O)[C@@H]4CCCN4C)C3)ccc21 ZINC001018629089 769681565 /nfs/dbraw/zinc/68/15/65/769681565.db2.gz ZNGCRPDJGHFQLM-YOEHRIQHSA-N 1 3 342.447 0.753 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C2)C1CC1 ZINC001019107871 770802432 /nfs/dbraw/zinc/80/24/32/770802432.db2.gz AEZLSYAENCOJQN-HOTGVXAUSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2)C1CC1 ZINC001019107871 770802444 /nfs/dbraw/zinc/80/24/44/770802444.db2.gz AEZLSYAENCOJQN-HOTGVXAUSA-N 1 3 348.491 0.339 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001019381782 771228943 /nfs/dbraw/zinc/22/89/43/771228943.db2.gz UYRACZCSZKYKOX-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001019386632 771236562 /nfs/dbraw/zinc/23/65/62/771236562.db2.gz RZPYWJNLVJTTIH-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CCC(C)(C)NC(=O)[C@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466479 771284722 /nfs/dbraw/zinc/28/47/22/771284722.db2.gz LXEALOPDZQSBEI-ZFWWWQNUSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001127473655 771303125 /nfs/dbraw/zinc/30/31/25/771303125.db2.gz BMNLAXAFSIEEIY-HOCLYGCPSA-N 1 3 336.480 0.293 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001056546016 771370238 /nfs/dbraw/zinc/37/02/38/771370238.db2.gz PUYABKSKIMQJFS-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC1 ZINC001019560385 771487239 /nfs/dbraw/zinc/48/72/39/771487239.db2.gz CUXLLTJQNZCLEV-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)CC1 ZINC001019593059 771560897 /nfs/dbraw/zinc/56/08/97/771560897.db2.gz GAQPXQNHDUBLOH-HOTGVXAUSA-N 1 3 336.480 0.576 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CC[C@H](n2cc(CNCC3CC3)nn2)C1)C1CC1 ZINC001089584143 771582770 /nfs/dbraw/zinc/58/27/70/771582770.db2.gz LVEIXWRFLVKRJH-DLBZAZTESA-N 1 3 346.479 0.891 20 0 ECADHO Cn1nnc2cc(C[NH2+][C@H]3CCN(C(=O)CN4CCCC4)C3)ccc21 ZINC001019775849 771784653 /nfs/dbraw/zinc/78/46/53/771784653.db2.gz JLUGTQMKLLLKOO-HNNXBMFYSA-N 1 3 342.447 0.755 20 0 ECADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)N1CCCCC1 ZINC001020151498 772221448 /nfs/dbraw/zinc/22/14/48/772221448.db2.gz ZMCKTSQVZOTDMD-SHTZXODSSA-N 1 3 336.480 0.720 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001020161744 772230922 /nfs/dbraw/zinc/23/09/22/772230922.db2.gz NJIUMFDPTUPQFD-BZUAXINKSA-N 1 3 345.447 0.564 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178779 772248870 /nfs/dbraw/zinc/24/88/70/772248870.db2.gz DSXQUNIDLNTZPG-QBYUYEEZSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178779 772248875 /nfs/dbraw/zinc/24/88/75/772248875.db2.gz DSXQUNIDLNTZPG-QBYUYEEZSA-N 1 3 345.447 0.385 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001020179043 772250045 /nfs/dbraw/zinc/25/00/45/772250045.db2.gz LZDKJHTTXKWPKN-VQHPVUNQSA-N 1 3 337.464 0.513 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001078466330 783000820 /nfs/dbraw/zinc/00/08/20/783000820.db2.gz ZABSXOHVKALSFZ-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001078466330 783000824 /nfs/dbraw/zinc/00/08/24/783000824.db2.gz ZABSXOHVKALSFZ-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N3CCC3)C1)CC2 ZINC001020316420 772437822 /nfs/dbraw/zinc/43/78/22/772437822.db2.gz MNRXANRFPFRREN-IHRRRGAJSA-N 1 3 345.447 0.292 20 0 ECADHO Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N3CCC3)C1)C2 ZINC001020316420 772437828 /nfs/dbraw/zinc/43/78/28/772437828.db2.gz MNRXANRFPFRREN-IHRRRGAJSA-N 1 3 345.447 0.292 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C[C@@H]2C)CC1 ZINC001044794715 774618954 /nfs/dbraw/zinc/61/89/54/774618954.db2.gz YIZRJLBAOUHQQB-DLBZAZTESA-N 1 3 348.495 0.979 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccn(C)c(=O)c2)CCC1 ZINC001045065665 774923761 /nfs/dbraw/zinc/92/37/61/774923761.db2.gz CCJJMIITNXWQLZ-INIZCTEOSA-N 1 3 346.475 0.950 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001045181530 775103328 /nfs/dbraw/zinc/10/33/28/775103328.db2.gz KLDLJUNLZXQQLN-HNNXBMFYSA-N 1 3 334.468 0.720 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001045251299 775232810 /nfs/dbraw/zinc/23/28/10/775232810.db2.gz MWCLNWKGSWCXLI-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO NC(=O)c1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC001045310724 775381598 /nfs/dbraw/zinc/38/15/98/775381598.db2.gz RVZUQPVVHFCCDI-KRWDZBQOSA-N 1 3 344.459 0.962 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001045311627 775385313 /nfs/dbraw/zinc/38/53/13/775385313.db2.gz NGNUFVVJLQPYBQ-HOTGVXAUSA-N 1 3 336.480 0.579 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001079807221 776911587 /nfs/dbraw/zinc/91/15/87/776911587.db2.gz OHGLGDXROIWIKE-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001079807221 776911595 /nfs/dbraw/zinc/91/15/95/776911595.db2.gz OHGLGDXROIWIKE-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO CCN(C(=O)[C@@H]1CCCCN1CC)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079928785 777098844 /nfs/dbraw/zinc/09/88/44/777098844.db2.gz TVUTVVZKTLRVSE-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001079930308 777102628 /nfs/dbraw/zinc/10/26/28/777102628.db2.gz JSKBTNNHYOFYOG-OAHLLOKOSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001079930308 777102633 /nfs/dbraw/zinc/10/26/33/777102633.db2.gz JSKBTNNHYOFYOG-OAHLLOKOSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001079930116 777103380 /nfs/dbraw/zinc/10/33/80/777103380.db2.gz BKOOTUVIXGEJOT-OAHLLOKOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001079930116 777103381 /nfs/dbraw/zinc/10/33/81/777103381.db2.gz BKOOTUVIXGEJOT-OAHLLOKOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)[C@H](C1CC1)[NH+](C)C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001079947407 777128415 /nfs/dbraw/zinc/12/84/15/777128415.db2.gz YOHIMJQJKJQIBR-KRWDZBQOSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001080182675 777512734 /nfs/dbraw/zinc/51/27/34/777512734.db2.gz UAXDSHBYEYVHID-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CCC[N@H+](C)CCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080189101 777521078 /nfs/dbraw/zinc/52/10/78/777521078.db2.gz FHEXLLIYKLKWPV-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080189101 777521083 /nfs/dbraw/zinc/52/10/83/777521083.db2.gz FHEXLLIYKLKWPV-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001080191810 777529615 /nfs/dbraw/zinc/52/96/15/777529615.db2.gz BGQUQPAEWKGILP-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001078478556 779947628 /nfs/dbraw/zinc/94/76/28/779947628.db2.gz ICKDDHSDTHLHQH-ZBFHGGJFSA-N 1 3 336.436 0.586 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001077664363 781456707 /nfs/dbraw/zinc/45/67/07/781456707.db2.gz ZXWAYAFPAYCHAS-HOCLYGCPSA-N 1 3 328.501 0.925 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041488852 781617125 /nfs/dbraw/zinc/61/71/25/781617125.db2.gz LIHQPKRDHIAVHV-DPCKTDSQSA-N 1 3 349.475 0.156 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041488852 781617129 /nfs/dbraw/zinc/61/71/29/781617129.db2.gz LIHQPKRDHIAVHV-DPCKTDSQSA-N 1 3 349.475 0.156 20 0 ECADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001037863922 783653808 /nfs/dbraw/zinc/65/38/08/783653808.db2.gz ZEYQFUCYKJIEIQ-RDJZCZTQSA-N 1 3 348.495 0.979 20 0 ECADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCN1CCCC1=O ZINC001037937216 783714366 /nfs/dbraw/zinc/71/43/66/783714366.db2.gz YOJJCLBSDFBZNQ-ZBFHGGJFSA-N 1 3 347.463 0.791 20 0 ECADHO CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1NCc1nnc(C)[nH]1 ZINC001037957791 783736300 /nfs/dbraw/zinc/73/63/00/783736300.db2.gz BUQZHGVEOSYMAC-GJZGRUSLSA-N 1 3 346.479 0.926 20 0 ECADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275484 783780688 /nfs/dbraw/zinc/78/06/88/783780688.db2.gz OVLFPGFSXMYVIX-CABCVRRESA-N 1 3 334.468 0.760 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@]2(CCN(CCO)C2)O1 ZINC001071203482 784727447 /nfs/dbraw/zinc/72/74/47/784727447.db2.gz BMGZXKWYRQSAAJ-PBHICJAKSA-N 1 3 325.453 0.012 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070865209 784766978 /nfs/dbraw/zinc/76/69/78/784766978.db2.gz MGFWMQVGKYZLKN-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001070867663 784771759 /nfs/dbraw/zinc/77/17/59/784771759.db2.gz ZJGBIRSVYSDYIA-BZUAXINKSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001070867663 784771763 /nfs/dbraw/zinc/77/17/63/784771763.db2.gz ZJGBIRSVYSDYIA-BZUAXINKSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001072286537 785978655 /nfs/dbraw/zinc/97/86/55/785978655.db2.gz LPGRNICTYFTJLF-CABCVRRESA-N 1 3 338.496 0.632 20 0 ECADHO O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001073633943 786826952 /nfs/dbraw/zinc/82/69/52/786826952.db2.gz KAXBXEQBBCGTLQ-DLBZAZTESA-N 1 3 339.480 0.593 20 0 ECADHO O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001073633943 786826959 /nfs/dbraw/zinc/82/69/59/786826959.db2.gz KAXBXEQBBCGTLQ-DLBZAZTESA-N 1 3 339.480 0.593 20 0 ECADHO O=C(NC[C@H]1CN(CCCO)CCCO1)C12CCC[NH+](CCC1)C2 ZINC001073652037 786875128 /nfs/dbraw/zinc/87/51/28/786875128.db2.gz NLHSAXLGKUPHQB-INIZCTEOSA-N 1 3 339.480 0.452 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677346 786947397 /nfs/dbraw/zinc/94/73/97/786947397.db2.gz DUEMMBCTWMCISY-OAHLLOKOSA-N 1 3 325.453 0.468 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073854192 787368666 /nfs/dbraw/zinc/36/86/66/787368666.db2.gz YUAOHEQLUZAVTC-SJORKVTESA-N 1 3 341.496 0.840 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073854192 787368678 /nfs/dbraw/zinc/36/86/78/787368678.db2.gz YUAOHEQLUZAVTC-SJORKVTESA-N 1 3 341.496 0.840 20 0 ECADHO C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CN(CCO)CCCO2)c1 ZINC001073899395 787474153 /nfs/dbraw/zinc/47/41/53/787474153.db2.gz SFTSBSBKIFIVGG-QGZVFWFLSA-N 1 3 335.448 0.561 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001074028121 787719907 /nfs/dbraw/zinc/71/99/07/787719907.db2.gz ZKMXRHHZQOISGY-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072627704 788466692 /nfs/dbraw/zinc/46/66/92/788466692.db2.gz YVAVWZBOADPSSE-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)[C@@H]1C)N(C)C ZINC001074885578 788486560 /nfs/dbraw/zinc/48/65/60/788486560.db2.gz MPEIDDVPKQLZCS-VGWMRTNUSA-N 1 3 338.496 0.822 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCn2nc(C)nc2C)[C@@H]1C)N(C)C ZINC001074885420 788486760 /nfs/dbraw/zinc/48/67/60/788486760.db2.gz CBDBCHPVRMXAHH-RCBQFDQVSA-N 1 3 336.484 0.814 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072799962 788826801 /nfs/dbraw/zinc/82/68/01/788826801.db2.gz VJPQABPMVCQECC-MRXNPFEDSA-N 1 3 346.479 0.687 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072799962 788826807 /nfs/dbraw/zinc/82/68/07/788826807.db2.gz VJPQABPMVCQECC-MRXNPFEDSA-N 1 3 346.479 0.687 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)C1=O ZINC001075169936 789018734 /nfs/dbraw/zinc/01/87/34/789018734.db2.gz PIPXYMHBXMZBDZ-DDUZABMNSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072981195 789207715 /nfs/dbraw/zinc/20/77/15/789207715.db2.gz AHVGHQMZGZFERQ-LSDHHAIUSA-N 1 3 332.452 0.010 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072981195 789207727 /nfs/dbraw/zinc/20/77/27/789207727.db2.gz AHVGHQMZGZFERQ-LSDHHAIUSA-N 1 3 332.452 0.010 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]Cc1cncn1C ZINC001075336127 789230697 /nfs/dbraw/zinc/23/06/97/789230697.db2.gz YCKIXIXPRZWCIJ-UONOGXRCSA-N 1 3 330.436 0.960 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2OCCC[C@H]2[NH2+]CCO)CC1 ZINC001075415938 789344495 /nfs/dbraw/zinc/34/44/95/789344495.db2.gz QTBPREKYZWMVAE-NVXWUHKLSA-N 1 3 336.436 0.320 20 0 ECADHO CC(C)N(C)CC(=O)NC1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001073240180 789647204 /nfs/dbraw/zinc/64/72/04/789647204.db2.gz YTXWBOXMJZJROB-UHFFFAOYSA-N 1 3 326.485 0.776 20 0 ECADHO CCC1(NC(=O)CC[NH+](C)C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001069644890 789946658 /nfs/dbraw/zinc/94/66/58/789946658.db2.gz KBUDSXSJYAECJP-UHFFFAOYSA-N 1 3 335.452 0.791 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001067009352 792568253 /nfs/dbraw/zinc/56/82/53/792568253.db2.gz QVTITYUPSLLYLA-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001067009352 792568268 /nfs/dbraw/zinc/56/82/68/792568268.db2.gz QVTITYUPSLLYLA-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001068009504 792569174 /nfs/dbraw/zinc/56/91/74/792569174.db2.gz MBJCRILWDNCAAL-GJZGRUSLSA-N 1 3 349.479 0.989 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001068009504 792569181 /nfs/dbraw/zinc/56/91/81/792569181.db2.gz MBJCRILWDNCAAL-GJZGRUSLSA-N 1 3 349.479 0.989 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001067010482 792571173 /nfs/dbraw/zinc/57/11/73/792571173.db2.gz MZOMLSICFQCLCN-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001067010482 792571179 /nfs/dbraw/zinc/57/11/79/792571179.db2.gz MZOMLSICFQCLCN-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCCN1CCN(CCO)CC1 ZINC001266274026 835597003 /nfs/dbraw/zinc/59/70/03/835597003.db2.gz XCWPXPVDFRRODI-KRWDZBQOSA-N 1 3 340.512 0.366 20 0 ECADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCCN1CCN(CCO)CC1 ZINC001266274026 835597013 /nfs/dbraw/zinc/59/70/13/835597013.db2.gz XCWPXPVDFRRODI-KRWDZBQOSA-N 1 3 340.512 0.366 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(=O)NCCNCCF)C2)C1 ZINC001267002234 836595607 /nfs/dbraw/zinc/59/56/07/836595607.db2.gz GZLSWHMYZJRSLH-GJZGRUSLSA-N 1 3 342.459 0.242 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(=O)NCCNCCF)C2)C1 ZINC001267002234 836595615 /nfs/dbraw/zinc/59/56/15/836595615.db2.gz GZLSWHMYZJRSLH-GJZGRUSLSA-N 1 3 342.459 0.242 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001267005152 836603514 /nfs/dbraw/zinc/60/35/14/836603514.db2.gz VBBKIJVILOCMKP-KBPBESRZSA-N 1 3 333.498 0.055 20 0 ECADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267012563 836613989 /nfs/dbraw/zinc/61/39/89/836613989.db2.gz UDECILRKAIHFIK-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267012563 836613994 /nfs/dbraw/zinc/61/39/94/836613994.db2.gz UDECILRKAIHFIK-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)N1CCCCC1 ZINC001267109507 836794677 /nfs/dbraw/zinc/79/46/77/836794677.db2.gz HPMAXMLVPMJOFI-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCNC(=O)CN1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001267178676 836921706 /nfs/dbraw/zinc/92/17/06/836921706.db2.gz DKGSCTYWCXYXGX-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)CN(C)C1CCC1 ZINC001408799988 838459063 /nfs/dbraw/zinc/45/90/63/838459063.db2.gz IULGTCDHNXPTPT-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)CN(C)C1CCC1 ZINC001408799988 838459065 /nfs/dbraw/zinc/45/90/65/838459065.db2.gz IULGTCDHNXPTPT-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000418987429 282147832 /nfs/dbraw/zinc/14/78/32/282147832.db2.gz PVFUVNSLQQYVOE-IRXDYDNUSA-N 1 3 344.459 0.432 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000419034089 290637225 /nfs/dbraw/zinc/63/72/25/290637225.db2.gz ZFFOAPVXGMPAGV-RBSFLKMASA-N 1 3 338.496 0.679 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)NCC(C)(C)N2CCCCC2)CCC1 ZINC000354650073 299085184 /nfs/dbraw/zinc/08/51/84/299085184.db2.gz LLPGLEUBMKKXLL-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO Cc1ccc([C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000354689329 299096696 /nfs/dbraw/zinc/09/66/96/299096696.db2.gz KLNZKEXCZLVKTR-IRXDYDNUSA-N 1 3 346.475 0.972 20 0 ECADHO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426432468 210150065 /nfs/dbraw/zinc/15/00/65/210150065.db2.gz HGOANEZCSCQDDC-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419022667 295933125 /nfs/dbraw/zinc/93/31/25/295933125.db2.gz IKPYICZKTKBLBK-KFWWJZLASA-N 1 3 340.512 0.912 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423420978 283232357 /nfs/dbraw/zinc/23/23/57/283232357.db2.gz XKHZUILDOLLBQC-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420220171 209343187 /nfs/dbraw/zinc/34/31/87/209343187.db2.gz XYVFNOBKWQSNBH-BZUAXINKSA-N 1 3 338.496 0.537 20 0 ECADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000420210016 209342191 /nfs/dbraw/zinc/34/21/91/209342191.db2.gz RZTKLOAMCWSTTI-OWCLPIDISA-N 1 3 336.480 0.707 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000420150390 209322592 /nfs/dbraw/zinc/32/25/92/209322592.db2.gz XBIBJWBZXRINNB-GJZGRUSLSA-N 1 3 326.485 0.714 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000420150390 209322595 /nfs/dbraw/zinc/32/25/95/209322595.db2.gz XBIBJWBZXRINNB-GJZGRUSLSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172049 209330283 /nfs/dbraw/zinc/33/02/83/209330283.db2.gz VCOLSDURZADAGE-RBSFLKMASA-N 1 3 338.496 0.726 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000420113356 209310767 /nfs/dbraw/zinc/31/07/67/209310767.db2.gz IIDAYECURJNACB-UKRRQHHQSA-N 1 3 336.436 0.284 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000420096614 209305104 /nfs/dbraw/zinc/30/51/04/209305104.db2.gz GUFRHTACGOAYNX-KRWDZBQOSA-N 1 3 344.459 0.847 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)C2CCCC2)C[C@H]1C ZINC000420092190 209302758 /nfs/dbraw/zinc/30/27/58/209302758.db2.gz VNKDNEMNSXYMAR-KBMXLJTQSA-N 1 3 338.496 0.951 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)C2CCCC2)C[C@H]1C ZINC000420092190 209302761 /nfs/dbraw/zinc/30/27/61/209302761.db2.gz VNKDNEMNSXYMAR-KBMXLJTQSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420014391 209277079 /nfs/dbraw/zinc/27/70/79/209277079.db2.gz NRVCQGOCQTXAFT-BMFZPTHFSA-N 1 3 330.432 0.040 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420014391 209277081 /nfs/dbraw/zinc/27/70/81/209277081.db2.gz NRVCQGOCQTXAFT-BMFZPTHFSA-N 1 3 330.432 0.040 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419980793 209268574 /nfs/dbraw/zinc/26/85/74/209268574.db2.gz RIGLVTDYWFXOHR-XHSDSOJGSA-N 1 3 338.496 0.871 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)C[NH3+])c1 ZINC000419942743 209255654 /nfs/dbraw/zinc/25/56/54/209255654.db2.gz OZSMRDSFEHLIBA-HNNXBMFYSA-N 1 3 334.464 0.596 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419882760 209236646 /nfs/dbraw/zinc/23/66/46/209236646.db2.gz ISCQZRHUVYPIJT-JYJNAYRXSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419858176 209227292 /nfs/dbraw/zinc/22/72/92/209227292.db2.gz WDNSVNSHJOJBJA-MRXNPFEDSA-N 1 3 336.480 0.722 20 0 ECADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCCC[NH3+] ZINC000419837360 209219118 /nfs/dbraw/zinc/21/91/18/209219118.db2.gz ZVRRCHGGVQABSK-UHFFFAOYSA-N 1 3 338.427 0.571 20 0 ECADHO NCCNC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000419827732 209214461 /nfs/dbraw/zinc/21/44/61/209214461.db2.gz BUNQGBYKJWYOSM-UHFFFAOYSA-N 1 3 344.459 0.576 20 0 ECADHO NCCNC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000419827732 209214465 /nfs/dbraw/zinc/21/44/65/209214465.db2.gz BUNQGBYKJWYOSM-UHFFFAOYSA-N 1 3 344.459 0.576 20 0 ECADHO NCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419814159 209212182 /nfs/dbraw/zinc/21/21/82/209212182.db2.gz HXIKCAFFKCYLHQ-SJORKVTESA-N 1 3 344.459 0.574 20 0 ECADHO NCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419814159 209212187 /nfs/dbraw/zinc/21/21/87/209212187.db2.gz HXIKCAFFKCYLHQ-SJORKVTESA-N 1 3 344.459 0.574 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419802205 209208249 /nfs/dbraw/zinc/20/82/49/209208249.db2.gz AMDOYELCWXUWLU-IAGOWNOFSA-N 1 3 344.459 0.717 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419802205 209208252 /nfs/dbraw/zinc/20/82/52/209208252.db2.gz AMDOYELCWXUWLU-IAGOWNOFSA-N 1 3 344.459 0.717 20 0 ECADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C1CC1 ZINC000419761801 209200289 /nfs/dbraw/zinc/20/02/89/209200289.db2.gz KWRIVBXMCHVABJ-SJORKVTESA-N 1 3 344.459 0.573 20 0 ECADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000419766600 209199560 /nfs/dbraw/zinc/19/95/60/209199560.db2.gz RTDCBGYGANHXIF-MRXNPFEDSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000419759379 209198915 /nfs/dbraw/zinc/19/89/15/209198915.db2.gz GUCKZAYOWPRABE-CZUORRHYSA-N 1 3 332.448 0.477 20 0 ECADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@H](CN)C2CC2)cc1 ZINC000419713074 209182768 /nfs/dbraw/zinc/18/27/68/209182768.db2.gz QFYJXLFJBULNTM-MRXNPFEDSA-N 1 3 332.448 0.260 20 0 ECADHO CC[C@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262634540 245084412 /nfs/dbraw/zinc/08/44/12/245084412.db2.gz HBNWSAUVWICIDG-HOTGVXAUSA-N 1 3 332.448 0.737 20 0 ECADHO CC[C@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262634540 245084413 /nfs/dbraw/zinc/08/44/13/245084413.db2.gz HBNWSAUVWICIDG-HOTGVXAUSA-N 1 3 332.448 0.737 20 0 ECADHO CC[C@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262634539 245084658 /nfs/dbraw/zinc/08/46/58/245084658.db2.gz HBNWSAUVWICIDG-CVEARBPZSA-N 1 3 332.448 0.737 20 0 ECADHO CC[C@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262634539 245084664 /nfs/dbraw/zinc/08/46/64/245084664.db2.gz HBNWSAUVWICIDG-CVEARBPZSA-N 1 3 332.448 0.737 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCC2CC[NH+](C3CC3)CC2)CC1=O ZINC000446445957 211144434 /nfs/dbraw/zinc/14/44/34/211144434.db2.gz YTWHLNMVAPXBKR-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)CC1=O ZINC000444264532 211062572 /nfs/dbraw/zinc/06/25/72/211062572.db2.gz PMHFTHQICVQVFY-BZUAXINKSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419481342 209106099 /nfs/dbraw/zinc/10/60/99/209106099.db2.gz WZKZDXIHZKELOK-BFYDXBDKSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419481342 209106101 /nfs/dbraw/zinc/10/61/01/209106101.db2.gz WZKZDXIHZKELOK-BFYDXBDKSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCn4cncn4)C3)C2)C1 ZINC001041677959 781972199 /nfs/dbraw/zinc/97/21/99/781972199.db2.gz DZEHULLPLASNEM-WMZOPIPTSA-N 1 3 346.479 0.544 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCn4cncn4)C3)C2)C1 ZINC001041677959 781972205 /nfs/dbraw/zinc/97/22/05/781972205.db2.gz DZEHULLPLASNEM-WMZOPIPTSA-N 1 3 346.479 0.544 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423401158 285037485 /nfs/dbraw/zinc/03/74/85/285037485.db2.gz WXTUZLNQOZRGLV-HOTGVXAUSA-N 1 3 335.452 0.648 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000411022560 208053678 /nfs/dbraw/zinc/05/36/78/208053678.db2.gz JNBRBBDUEKJCFC-QAPCUYQASA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000411022560 208053682 /nfs/dbraw/zinc/05/36/82/208053682.db2.gz JNBRBBDUEKJCFC-QAPCUYQASA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000430710981 210398294 /nfs/dbraw/zinc/39/82/94/210398294.db2.gz CIWWNGBIXSBXJD-KRWDZBQOSA-N 1 3 346.475 0.788 20 0 ECADHO O=C(CNC[C@H]1CCCO1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000430778209 210402874 /nfs/dbraw/zinc/40/28/74/210402874.db2.gz PMYTYHXHHHMFPX-GDBMZVCRSA-N 1 3 325.453 0.372 20 0 ECADHO CCN1CCN(C(=O)[C@H](C)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000430558363 210381575 /nfs/dbraw/zinc/38/15/75/210381575.db2.gz ABZPZVSCQQLVLH-HNNXBMFYSA-N 1 3 326.485 0.369 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418843399 208873121 /nfs/dbraw/zinc/87/31/21/208873121.db2.gz RSYDQXGMYMOLNI-CQSZACIVSA-N 1 3 326.485 0.857 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471650574 254816250 /nfs/dbraw/zinc/81/62/50/254816250.db2.gz VKIQYXOFDFHKNB-UHFFFAOYSA-N 1 3 344.500 0.753 20 0 ECADHO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCCN1CCC(O)CC1 ZINC000496178357 255078402 /nfs/dbraw/zinc/07/84/02/255078402.db2.gz LRGVERJWNUSXNC-UHFFFAOYSA-N 1 3 343.472 0.472 20 0 ECADHO [NH3+][C@H](CNC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000419427247 209093199 /nfs/dbraw/zinc/09/31/99/209093199.db2.gz ROYWSJOJJKHAJJ-SJORKVTESA-N 1 3 344.459 0.793 20 0 ECADHO C[NH+](C)C[C@@H](O)CNC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496420247 255098463 /nfs/dbraw/zinc/09/84/63/255098463.db2.gz ZSXHJFOCFVYPTR-LSDHHAIUSA-N 1 3 345.484 0.507 20 0 ECADHO C[N@H+](C[C@@H](O)CN[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC1 ZINC000496826145 255133214 /nfs/dbraw/zinc/13/32/14/255133214.db2.gz FADINLSZFXCWNY-BYNSBNAKSA-N 1 3 325.453 0.896 20 0 ECADHO C[N@@H+](C[C@@H](O)CN[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC1 ZINC000496826145 255133216 /nfs/dbraw/zinc/13/32/16/255133216.db2.gz FADINLSZFXCWNY-BYNSBNAKSA-N 1 3 325.453 0.896 20 0 ECADHO [NH3+][C@H](CNC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000419427245 209092897 /nfs/dbraw/zinc/09/28/97/209092897.db2.gz ROYWSJOJJKHAJJ-IAGOWNOFSA-N 1 3 344.459 0.793 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166181 209009138 /nfs/dbraw/zinc/00/91/38/209009138.db2.gz HBYRYTISSORNFR-NVXWUHKLSA-N 1 3 346.475 0.473 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166181 209009143 /nfs/dbraw/zinc/00/91/43/209009143.db2.gz HBYRYTISSORNFR-NVXWUHKLSA-N 1 3 346.475 0.473 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419170098 209011182 /nfs/dbraw/zinc/01/11/82/209011182.db2.gz NBLZSDSZIUPULK-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419198240 209020999 /nfs/dbraw/zinc/02/09/99/209020999.db2.gz YUTVWIFTTZAVDE-KRWDZBQOSA-N 1 3 344.459 0.554 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419225276 209032672 /nfs/dbraw/zinc/03/26/72/209032672.db2.gz GYMNDCVQVQUWLD-BMFZPTHFSA-N 1 3 336.480 0.563 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419230994 209033285 /nfs/dbraw/zinc/03/32/85/209033285.db2.gz QUPOIOINUQCNGC-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232485 209036185 /nfs/dbraw/zinc/03/61/85/209036185.db2.gz UQNPPYKLGXKFCV-BPUTZDHNSA-N 1 3 336.480 0.563 20 0 ECADHO CCN1CCN(CCC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000432549202 285315551 /nfs/dbraw/zinc/31/55/51/285315551.db2.gz IBYFZXZYRJNMIU-QGZVFWFLSA-N 1 3 340.512 0.631 20 0 ECADHO CCN1CCN(CCC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000432549202 285315552 /nfs/dbraw/zinc/31/55/52/285315552.db2.gz IBYFZXZYRJNMIU-QGZVFWFLSA-N 1 3 340.512 0.631 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000419373421 209072466 /nfs/dbraw/zinc/07/24/66/209072466.db2.gz ODRUFEPNHUFRNC-MRXNPFEDSA-N 1 3 340.512 0.927 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000357681490 299613865 /nfs/dbraw/zinc/61/38/65/299613865.db2.gz MBEFOWWGKMKQCQ-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000423150579 296499146 /nfs/dbraw/zinc/49/91/46/296499146.db2.gz JBAPKQUPSMEXSD-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO CCN1CCN(CCCNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262712859 165376849 /nfs/dbraw/zinc/37/68/49/165376849.db2.gz FWUGEZGZZMUOHS-MRXNPFEDSA-N 1 3 348.495 0.565 20 0 ECADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000187337179 263160369 /nfs/dbraw/zinc/16/03/69/263160369.db2.gz XIUYGJFNICOPHI-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000187337179 263160370 /nfs/dbraw/zinc/16/03/70/263160370.db2.gz XIUYGJFNICOPHI-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[NH2+]C[C@H]2CCCO2)C[C@@H](C)O1 ZINC000237501581 263173983 /nfs/dbraw/zinc/17/39/83/263173983.db2.gz QJZWLLSRQCMYDI-BZUAXINKSA-N 1 3 327.469 0.761 20 0 ECADHO O=C1CCN(CNCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000273065112 263392199 /nfs/dbraw/zinc/39/21/99/263392199.db2.gz JOPKUVOSBZSUEX-UHFFFAOYSA-N 1 3 331.464 0.806 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000420101448 276779616 /nfs/dbraw/zinc/77/96/16/276779616.db2.gz MEBVXMLYIPFEBU-MRXNPFEDSA-N 1 3 330.432 0.459 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343520455 437597852 /nfs/dbraw/zinc/59/78/52/437597852.db2.gz PVIZLTLCESYXPE-ZACQAIPSSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C1=CCN(C)CC1 ZINC000419632883 278233994 /nfs/dbraw/zinc/23/39/94/278233994.db2.gz YCZRBXXQCQQJMQ-XJKSGUPXSA-N 1 3 336.480 0.777 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1CN ZINC000419531807 278338782 /nfs/dbraw/zinc/33/87/82/278338782.db2.gz LMGBXYGYYQWZSK-SLTXQBBLSA-N 1 3 336.480 0.705 20 0 ECADHO CCN1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000416841160 279260266 /nfs/dbraw/zinc/26/02/66/279260266.db2.gz GUAZTYCNGFMIBB-OAHLLOKOSA-N 1 3 339.484 0.500 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCCNCC1)[NH+]1CCCCCC1 ZINC000419124423 279838317 /nfs/dbraw/zinc/83/83/17/279838317.db2.gz IDJLTLPDGOLLNX-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340214652 437605155 /nfs/dbraw/zinc/60/51/55/437605155.db2.gz NLZBOXMBTVBJME-IJEWVQPXSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000340214652 437605159 /nfs/dbraw/zinc/60/51/59/437605159.db2.gz NLZBOXMBTVBJME-IJEWVQPXSA-N 1 3 336.480 0.433 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCC1 ZINC000354687322 282027457 /nfs/dbraw/zinc/02/74/57/282027457.db2.gz QMYXWRHPJRLOIY-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417431088 289019453 /nfs/dbraw/zinc/01/94/53/289019453.db2.gz QNFFEJUGCLMKMI-HUUCEWRRSA-N 1 3 339.484 0.228 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000460037467 289107434 /nfs/dbraw/zinc/10/74/34/289107434.db2.gz HJQSFQRXBVGMSW-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418798359 289138200 /nfs/dbraw/zinc/13/82/00/289138200.db2.gz VJZROMRMBHDMTH-GJZGRUSLSA-N 1 3 328.457 0.117 20 0 ECADHO CN(C)[C@@H](CNC(=O)CN1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000420392391 289277186 /nfs/dbraw/zinc/27/71/86/289277186.db2.gz PLNMHNXEWOUQBA-SJORKVTESA-N 1 3 334.464 0.455 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)C[C@@H]21 ZINC000410777205 290160656 /nfs/dbraw/zinc/16/06/56/290160656.db2.gz BIEZWNYGIQVRPG-WCVJEAGWSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)C[C@@H]21 ZINC000410777205 290160660 /nfs/dbraw/zinc/16/06/60/290160660.db2.gz BIEZWNYGIQVRPG-WCVJEAGWSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N(C)CCN1CCCC1)[NH+]1CCCCC1 ZINC000359701066 299880792 /nfs/dbraw/zinc/88/07/92/299880792.db2.gz AZHMKKVPQMHWBH-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCCN1CCCO)C(F)(F)F ZINC000416042315 295235963 /nfs/dbraw/zinc/23/59/63/295235963.db2.gz JTTITFVLQYENAM-WDEREUQCSA-N 1 3 326.363 0.412 20 0 ECADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CCS(=O)(=O)CC1 ZINC000333027541 297102137 /nfs/dbraw/zinc/10/21/37/297102137.db2.gz BKWQLPAUVCZTNX-CQSZACIVSA-N 1 3 331.526 0.815 20 0 ECADHO C[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCC[C@@H](C)C1 ZINC000333932308 297156352 /nfs/dbraw/zinc/15/63/52/297156352.db2.gz GRLVMIPGXILVHJ-IKGGRYGDSA-N 1 3 337.512 0.796 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCCCC1=O ZINC000338081555 297239662 /nfs/dbraw/zinc/23/96/62/297239662.db2.gz CPZBZIHCACXJTP-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCCCC1=O ZINC000338081555 297239663 /nfs/dbraw/zinc/23/96/63/297239663.db2.gz CPZBZIHCACXJTP-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000338836715 297299885 /nfs/dbraw/zinc/29/98/85/297299885.db2.gz LXVBOCLWKJFYMR-LSDHHAIUSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000338836715 297299887 /nfs/dbraw/zinc/29/98/87/297299887.db2.gz LXVBOCLWKJFYMR-LSDHHAIUSA-N 1 3 339.484 0.323 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000339576902 297361080 /nfs/dbraw/zinc/36/10/80/297361080.db2.gz CJNQHUAKTOYZKU-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000339577384 297361225 /nfs/dbraw/zinc/36/12/25/297361225.db2.gz ZMCSSVNRBKUJTM-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000339578260 297361563 /nfs/dbraw/zinc/36/15/63/297361563.db2.gz ZATXHQRBWRTQNO-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C(C)C ZINC000339615509 297364953 /nfs/dbraw/zinc/36/49/53/297364953.db2.gz SNIVROQKDMIVCB-HNNXBMFYSA-N 1 3 338.496 0.988 20 0 ECADHO COCCN(C)CCCNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339636324 297367489 /nfs/dbraw/zinc/36/74/89/297367489.db2.gz NYLNRZULCXSTPC-UHFFFAOYSA-N 1 3 342.484 0.060 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000346531727 298287689 /nfs/dbraw/zinc/28/76/89/298287689.db2.gz FREKLAPQELNUHQ-XEZPLFJOSA-N 1 3 334.464 0.352 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000346531727 298287693 /nfs/dbraw/zinc/28/76/93/298287693.db2.gz FREKLAPQELNUHQ-XEZPLFJOSA-N 1 3 334.464 0.352 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](CC)CC ZINC000361867239 300135257 /nfs/dbraw/zinc/13/52/57/300135257.db2.gz FYSUOOHTYQCPQY-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000362713124 300212319 /nfs/dbraw/zinc/21/23/19/300212319.db2.gz ASQCNGMRLJAUIY-YOEHRIQHSA-N 1 3 346.475 0.792 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000362713124 300212322 /nfs/dbraw/zinc/21/23/22/300212322.db2.gz ASQCNGMRLJAUIY-YOEHRIQHSA-N 1 3 346.475 0.792 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C(=O)NCCN(C)C ZINC000362962738 300236920 /nfs/dbraw/zinc/23/69/20/300236920.db2.gz GJSLHIYILQHHJU-KKUMJFAQSA-N 1 3 326.485 0.393 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C(=O)NCCN(C)C ZINC000362962738 300236923 /nfs/dbraw/zinc/23/69/23/300236923.db2.gz GJSLHIYILQHHJU-KKUMJFAQSA-N 1 3 326.485 0.393 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@]2(F)CC[NH2+]C2)c1 ZINC000364871316 300395959 /nfs/dbraw/zinc/39/59/59/300395959.db2.gz ZUQMFBFVDRASAX-KRWDZBQOSA-N 1 3 336.411 0.296 20 0 ECADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000366305497 300537395 /nfs/dbraw/zinc/53/73/95/300537395.db2.gz JNPSYRHSMFHTFO-OAHLLOKOSA-N 1 3 343.479 0.993 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000072815119 436058486 /nfs/dbraw/zinc/05/84/86/436058486.db2.gz GLIDLOQIESLIHI-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000072815119 436058487 /nfs/dbraw/zinc/05/84/87/436058487.db2.gz GLIDLOQIESLIHI-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1=O ZINC000073474269 436078805 /nfs/dbraw/zinc/07/88/05/436078805.db2.gz ZERKKOZZJMLZKK-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC[NH+](CC)CCOC1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000075007590 436146736 /nfs/dbraw/zinc/14/67/36/436146736.db2.gz DZQVBOPNFFNFQG-UHFFFAOYSA-N 1 3 325.453 0.958 20 0 ECADHO CC[C@H](C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1)N(C)C ZINC000376099801 301235112 /nfs/dbraw/zinc/23/51/12/301235112.db2.gz FBBRPYVMEVLPCT-MRXNPFEDSA-N 1 3 326.485 0.193 20 0 ECADHO CC[C@H](C(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1)N(C)C ZINC000376099801 301235114 /nfs/dbraw/zinc/23/51/14/301235114.db2.gz FBBRPYVMEVLPCT-MRXNPFEDSA-N 1 3 326.485 0.193 20 0 ECADHO [NH3+][C@H](CC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)c1ccccc1 ZINC000376719032 301285241 /nfs/dbraw/zinc/28/52/41/301285241.db2.gz BXBQARIOYGWROX-ZWKOTPCHSA-N 1 3 346.475 0.599 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)C2)CC1 ZINC000377195453 301329704 /nfs/dbraw/zinc/32/97/04/301329704.db2.gz FIUYOUQHDJGRBE-AEFFLSMTSA-N 1 3 330.476 0.841 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)C2)CC1 ZINC000377195453 301329707 /nfs/dbraw/zinc/32/97/07/301329707.db2.gz FIUYOUQHDJGRBE-AEFFLSMTSA-N 1 3 330.476 0.841 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000377526550 301356557 /nfs/dbraw/zinc/35/65/57/301356557.db2.gz WASYYPVPXHSYPA-AWEZNQCLSA-N 1 3 341.452 0.418 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000377582570 301361572 /nfs/dbraw/zinc/36/15/72/301361572.db2.gz GBSSXKVVDZHZBJ-GJZGRUSLSA-N 1 3 325.453 0.991 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)nn1 ZINC000514671768 301612263 /nfs/dbraw/zinc/61/22/63/301612263.db2.gz FCFJWAPQYJTYBI-HZPDHXFCSA-N 1 3 346.410 0.782 20 0 ECADHO CCC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050796831 436477451 /nfs/dbraw/zinc/47/74/51/436477451.db2.gz HXWKDDOKUKGWHU-OAHLLOKOSA-N 1 3 339.484 0.498 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000110992339 436628915 /nfs/dbraw/zinc/62/89/15/436628915.db2.gz BXEKFDUVKNFJLD-DLBZAZTESA-N 1 3 337.512 0.940 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000110992339 436628917 /nfs/dbraw/zinc/62/89/17/436628917.db2.gz BXEKFDUVKNFJLD-DLBZAZTESA-N 1 3 337.512 0.940 20 0 ECADHO COCC1(O)CCN(CCCC[NH+]2CCC(O)(COC)CC2)CC1 ZINC000535007566 302115578 /nfs/dbraw/zinc/11/55/78/302115578.db2.gz QIMBVDRVAQDOPU-UHFFFAOYSA-N 1 3 344.496 0.713 20 0 ECADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000195519271 436694207 /nfs/dbraw/zinc/69/42/07/436694207.db2.gz UHDTYTMGVXYRQS-UHFFFAOYSA-N 1 3 332.448 0.675 20 0 ECADHO CCC(=O)N1CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000151608188 436706919 /nfs/dbraw/zinc/70/69/19/436706919.db2.gz ZBOWAUZACYCKQA-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO C[NH2+]C[C@H](C)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000237333784 436730979 /nfs/dbraw/zinc/73/09/79/436730979.db2.gz DVMFYXPPZVIRIQ-HNNXBMFYSA-N 1 3 346.475 0.984 20 0 ECADHO Cc1c(C(=O)NCCN2CCC[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237465174 436736271 /nfs/dbraw/zinc/73/62/71/436736271.db2.gz GPDGNVDUYIPWAJ-CYBMUJFWSA-N 1 3 334.468 0.973 20 0 ECADHO COC(=O)C[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000128558833 436817398 /nfs/dbraw/zinc/81/73/98/436817398.db2.gz NCRRGSMYXJYRLN-ZDUSSCGKSA-N 1 3 325.453 0.860 20 0 ECADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000248060986 436799033 /nfs/dbraw/zinc/79/90/33/436799033.db2.gz PBYBQCJHAGKVPI-DOTOQJQBSA-N 1 3 339.528 0.994 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000130087668 436833371 /nfs/dbraw/zinc/83/33/71/436833371.db2.gz GBKIFBREIIWMPF-HNNXBMFYSA-N 1 3 349.479 0.875 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000130087668 436833374 /nfs/dbraw/zinc/83/33/74/436833374.db2.gz GBKIFBREIIWMPF-HNNXBMFYSA-N 1 3 349.479 0.875 20 0 ECADHO C[NH+](C)C1(CNC(=O)[C@@H](N)C2CCOCC2)Cc2ccccc2C1 ZINC000261829715 436891010 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437303342 /nfs/dbraw/zinc/30/33/42/437303342.db2.gz QDVLRQCXVUEQNR-ZIFCJYIRSA-N 1 3 338.540 0.932 20 0 ECADHO C[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000333631673 437279246 /nfs/dbraw/zinc/27/92/46/437279246.db2.gz VVRVADPELKKRBO-BHYGNILZSA-N 1 3 348.495 0.977 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1(C)C ZINC000333731657 437283556 /nfs/dbraw/zinc/28/35/56/437283556.db2.gz HXKOBMDOQWPBEC-BZUAXINKSA-N 1 3 337.512 0.700 20 0 ECADHO O=CN1CCC([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000278770993 437341732 /nfs/dbraw/zinc/34/17/32/437341732.db2.gz PDVHGORICPEGNT-UHFFFAOYSA-N 1 3 331.464 0.804 20 0 ECADHO CCN1CCO[C@H](C(=O)NC(C)(C)CCN2CCN(C)CC2)C1 ZINC000184212323 437399089 /nfs/dbraw/zinc/39/90/89/437399089.db2.gz NBCVSRLEDKWLRE-HNNXBMFYSA-N 1 3 326.485 0.239 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338291473 437400121 /nfs/dbraw/zinc/40/01/21/437400121.db2.gz XICKWCNBLROTBD-HNNXBMFYSA-N 1 3 346.541 0.226 20 0 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437676542 /nfs/dbraw/zinc/67/65/42/437676542.db2.gz FLSMTORMPZLVOJ-HLLBOEOZSA-N 1 3 327.469 0.258 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000344010042 437717312 /nfs/dbraw/zinc/71/73/12/437717312.db2.gz KYKCBMYHTKZBIE-DLBZAZTESA-N 1 3 338.496 0.336 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1)C[NH+]1CCCC1 ZINC000340783323 437732038 /nfs/dbraw/zinc/73/20/38/437732038.db2.gz WCKBDDLQNVOWIV-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN(C)C2CCC(NC(C)=O)CC2)CC1 ZINC000344149083 437738318 /nfs/dbraw/zinc/73/83/18/437738318.db2.gz SFTVRKBHEGCLEG-UHFFFAOYSA-N 1 3 338.496 0.966 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000331373271 437745922 /nfs/dbraw/zinc/74/59/22/437745922.db2.gz CTYFVOJNZYRUKF-ARFHVFGLSA-N 1 3 336.480 0.420 20 0 ECADHO Cc1cc(NC(=O)CCN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)no1 ZINC000362641850 437747127 /nfs/dbraw/zinc/74/71/27/437747127.db2.gz QTUSCGMBUJIZAT-CQSZACIVSA-N 1 3 349.479 1.412 20 0 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/nfs/dbraw/zinc/80/89/00/437808900.db2.gz BDQCIWJAHQOITD-DLBZAZTESA-N 1 3 344.459 0.384 20 0 ECADHO CN(CCN)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423703010 437808908 /nfs/dbraw/zinc/80/89/08/437808908.db2.gz BDQCIWJAHQOITD-DLBZAZTESA-N 1 3 344.459 0.384 20 0 ECADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000423984411 437869827 /nfs/dbraw/zinc/86/98/27/437869827.db2.gz BPMUYVMIEOKPCX-QGZVFWFLSA-N 1 3 332.448 0.303 20 0 ECADHO [NH3+]C1(CNC(=O)[C@@H]2CSCN2)CCN(Cc2ccccc2)CC1 ZINC000424022332 437877945 /nfs/dbraw/zinc/87/79/45/437877945.db2.gz STWSDKXPYXWWIH-HNNXBMFYSA-N 1 3 334.489 0.759 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000423772135 437830374 /nfs/dbraw/zinc/83/03/74/437830374.db2.gz KMAWINVRFQZHKK-ZNMIVQPWSA-N 1 3 332.452 0.729 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415948845 437881053 /nfs/dbraw/zinc/88/10/53/437881053.db2.gz DUURMXDEFCOEDD-UHFFFAOYSA-N 1 3 335.456 0.740 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415948845 437881056 /nfs/dbraw/zinc/88/10/56/437881056.db2.gz DUURMXDEFCOEDD-UHFFFAOYSA-N 1 3 335.456 0.740 20 0 ECADHO NC(=O)CC[C@H](N)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000365243321 437881319 /nfs/dbraw/zinc/88/13/19/437881319.db2.gz LBNCKNSYBDLTSF-LBPRGKRZSA-N 1 3 328.482 0.057 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000371271090 437909251 /nfs/dbraw/zinc/90/92/51/437909251.db2.gz MHABFCAGMALXMG-HUUCEWRRSA-N 1 3 348.495 0.614 20 0 ECADHO CN(C)CCOc1ccccc1N1CCN(CCOCC[NH3+])CC1 ZINC000357085434 437909780 /nfs/dbraw/zinc/90/97/80/437909780.db2.gz SXVWTXDZHWUDKM-UHFFFAOYSA-N 1 3 336.480 0.724 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424490930 437955024 /nfs/dbraw/zinc/95/50/24/437955024.db2.gz BBTQANMZUPPDPK-HYVNUMGLSA-N 1 3 344.459 0.525 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)[N@H+](C)C1CC1 ZINC000342075919 437960729 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/nfs/dbraw/zinc/09/84/87/438098487.db2.gz DSPCJOVGRNAYFV-RDTXWAMCSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N(C)C1CC1 ZINC000417549873 438059028 /nfs/dbraw/zinc/05/90/28/438059028.db2.gz KDUUGGKPXYPBGU-HIFRSBDPSA-N 1 3 339.484 0.498 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417743561 438073460 /nfs/dbraw/zinc/07/34/60/438073460.db2.gz CEADZGWHDUERFV-SJORKVTESA-N 1 3 339.528 0.949 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427048878 438076057 /nfs/dbraw/zinc/07/60/57/438076057.db2.gz JUDWADLCFVZIHG-HZPDHXFCSA-N 1 3 334.464 0.378 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427048878 438076059 /nfs/dbraw/zinc/07/60/59/438076059.db2.gz JUDWADLCFVZIHG-HZPDHXFCSA-N 1 3 334.464 0.378 20 0 ECADHO CCNC(=O)NC(=O)[C@@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369441 438077651 /nfs/dbraw/zinc/07/76/51/438077651.db2.gz YQFZFHLGLHMVHB-UKRRQHHQSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)NCCCN2CC[NH2+]CC2)CCCO1 ZINC000418115069 438107428 /nfs/dbraw/zinc/10/74/28/438107428.db2.gz NIFGVBRWFJDONO-MRXNPFEDSA-N 1 3 341.500 0.082 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000430612416 438117606 /nfs/dbraw/zinc/11/76/06/438117606.db2.gz RFKDJMXTRORCQO-ZDUSSCGKSA-N 1 3 343.431 0.665 20 0 ECADHO CN(C)CCOc1cnccc1CNC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418199000 438118558 /nfs/dbraw/zinc/11/85/58/438118558.db2.gz WMCVUJDCFWVIBJ-DZGCQCFKSA-N 1 3 335.452 0.949 20 0 ECADHO CSc1ccc([C@@H](CNC(=O)N(CC[NH3+])CCO)N(C)C)cc1 ZINC000418239090 438121394 /nfs/dbraw/zinc/12/13/94/438121394.db2.gz YCZKEIKYEMFVDQ-OAHLLOKOSA-N 1 3 340.493 0.974 20 0 ECADHO O=C(CNC[C@H]1CCCO1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000430778210 438122287 /nfs/dbraw/zinc/12/22/87/438122287.db2.gz PMYTYHXHHHMFPX-GOEBONIOSA-N 1 3 325.453 0.372 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418301844 438126947 /nfs/dbraw/zinc/12/69/47/438126947.db2.gz PELAUQKQCNWGGG-UHFFFAOYSA-N 1 3 339.484 0.324 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000430947859 438134218 /nfs/dbraw/zinc/13/42/18/438134218.db2.gz CLRDEFHIACINOO-WBVHZDCISA-N 1 3 340.512 0.519 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000349146774 438138839 /nfs/dbraw/zinc/13/88/39/438138839.db2.gz WSGMJKGNPXLJPE-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000349146774 438138843 /nfs/dbraw/zinc/13/88/43/438138843.db2.gz WSGMJKGNPXLJPE-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000418336680 438134701 /nfs/dbraw/zinc/13/47/01/438134701.db2.gz IPPYTDORCDEUBI-HNNXBMFYSA-N 1 3 339.484 0.182 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418673233 438175345 /nfs/dbraw/zinc/17/53/45/438175345.db2.gz OONREKSKUPNJTJ-QXDIGNSFSA-N 1 3 344.459 0.386 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C2CCN(CCO)CC2)CC1 ZINC000358195708 438179376 /nfs/dbraw/zinc/17/93/76/438179376.db2.gz KPNMINPXIDSDKA-UHFFFAOYSA-N 1 3 340.512 0.364 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418755703 438181938 /nfs/dbraw/zinc/18/19/38/438181938.db2.gz GECINUJXYZZMMK-HNNXBMFYSA-N 1 3 339.509 0.725 20 0 ECADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418752471 438182306 /nfs/dbraw/zinc/18/23/06/438182306.db2.gz BVPUCJUNFWAULM-INIZCTEOSA-N 1 3 325.501 0.798 20 0 ECADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000349832449 438182592 /nfs/dbraw/zinc/18/25/92/438182592.db2.gz JPESEPNFULLKAP-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418752478 438182978 /nfs/dbraw/zinc/18/29/78/438182978.db2.gz BVPUCJUNFWAULM-MRXNPFEDSA-N 1 3 325.501 0.798 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418756735 438183440 /nfs/dbraw/zinc/18/34/40/438183440.db2.gz ALHJFFQMVLRKQI-HUUCEWRRSA-N 1 3 339.484 0.309 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1C[NH3+] ZINC000418843609 438212391 /nfs/dbraw/zinc/21/23/91/438212391.db2.gz RZXQZXDCNLUXRJ-HUUCEWRRSA-N 1 3 338.496 0.810 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418849125 438214178 /nfs/dbraw/zinc/21/41/78/438214178.db2.gz CPYKKLCIUCLFAV-IAGOWNOFSA-N 1 3 346.475 0.486 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418851423 438216707 /nfs/dbraw/zinc/21/67/07/438216707.db2.gz PWJFBXCUSUWKHK-PVAVHDDUSA-N 1 3 346.475 0.390 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[C@H]1[NH3+] ZINC000418830236 438204477 /nfs/dbraw/zinc/20/44/77/438204477.db2.gz FQHMXVDCTNKCAU-HYVNUMGLSA-N 1 3 346.475 0.471 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000418829900 438205224 /nfs/dbraw/zinc/20/52/24/438205224.db2.gz DYZHXXRWEFJHKU-CVEARBPZSA-N 1 3 332.448 0.144 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419027951 438295941 /nfs/dbraw/zinc/29/59/41/438295941.db2.gz PIXSMKDXSTVRPI-IIDMSEBBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418945743 438260757 /nfs/dbraw/zinc/26/07/57/438260757.db2.gz LUZDEVWJANGTHD-HYVNUMGLSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000418958185 438263363 /nfs/dbraw/zinc/26/33/63/438263363.db2.gz FQHBYFQIQJCCKE-LNRIEFBSSA-N 1 3 344.459 0.762 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000418958185 438263367 /nfs/dbraw/zinc/26/33/67/438263367.db2.gz FQHBYFQIQJCCKE-LNRIEFBSSA-N 1 3 344.459 0.762 20 0 ECADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]12 ZINC000351497091 438270268 /nfs/dbraw/zinc/27/02/68/438270268.db2.gz SPCCIBQQLOFORP-ARFHVFGLSA-N 1 3 344.463 0.184 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418983270 438272868 /nfs/dbraw/zinc/27/28/68/438272868.db2.gz CVNXOOVNULZOIQ-MRXNPFEDSA-N 1 3 334.464 0.998 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000418996219 438277782 /nfs/dbraw/zinc/27/77/82/438277782.db2.gz JUOVQPGJCKGLRY-OAHLLOKOSA-N 1 3 326.485 0.858 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000351524494 438278692 /nfs/dbraw/zinc/27/86/92/438278692.db2.gz QWHSIPPLOSDHSV-SJORKVTESA-N 1 3 344.459 0.635 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000419010129 438283557 /nfs/dbraw/zinc/28/35/57/438283557.db2.gz XFVBYTUMIUOMAX-CQSZACIVSA-N 1 3 332.448 0.704 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419017540 438288608 /nfs/dbraw/zinc/28/86/08/438288608.db2.gz BBKPQIWUBBVWOO-NPJQDHAYSA-N 1 3 338.496 0.713 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419024915 438292630 /nfs/dbraw/zinc/29/26/30/438292630.db2.gz LGXMPAUYIUFSAL-QKPAOTATSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H]1CN(CCCNC(=O)NCCNc2cc[nH+]cc2)CCCO1 ZINC000433453589 438251817 /nfs/dbraw/zinc/25/18/17/438251817.db2.gz ZYAXZTAXVKJTKG-HNNXBMFYSA-N 1 3 335.452 0.716 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000419115571 438330006 /nfs/dbraw/zinc/33/00/06/438330006.db2.gz JYFGRVDZVGHTEI-HNNXBMFYSA-N 1 3 326.485 0.713 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419130400 438337456 /nfs/dbraw/zinc/33/74/56/438337456.db2.gz BCKADTTWMDMROC-CYBMUJFWSA-N 1 3 338.477 0.412 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000351783369 438339387 /nfs/dbraw/zinc/33/93/87/438339387.db2.gz LNAHPMHRPZAOOJ-MRXNPFEDSA-N 1 3 327.517 0.901 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000351783369 438339389 /nfs/dbraw/zinc/33/93/89/438339389.db2.gz LNAHPMHRPZAOOJ-MRXNPFEDSA-N 1 3 327.517 0.901 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)C1 ZINC000419030877 438297382 /nfs/dbraw/zinc/29/73/82/438297382.db2.gz ULVVULPJPZDKDD-JONQDZQNSA-N 1 3 338.496 0.537 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000419043723 438302587 /nfs/dbraw/zinc/30/25/87/438302587.db2.gz KHHBZTOFUIBBID-NFOMZHRRSA-N 1 3 338.496 0.999 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000420130821 438388037 /nfs/dbraw/zinc/38/80/37/438388037.db2.gz WNXSKZBNBOIZMX-QLFBSQMISA-N 1 3 326.485 0.999 20 0 ECADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000420135357 438388058 /nfs/dbraw/zinc/38/80/58/438388058.db2.gz GZMPODZQWDDUTM-INIZCTEOSA-N 1 3 334.464 0.499 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C1CC1 ZINC000359246817 438390894 /nfs/dbraw/zinc/39/08/94/438390894.db2.gz DKMFPTHYKTWLQH-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C1CC1 ZINC000359246817 438390898 /nfs/dbraw/zinc/39/08/98/438390898.db2.gz DKMFPTHYKTWLQH-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419377711 438355080 /nfs/dbraw/zinc/35/50/80/438355080.db2.gz UIYJXHLZSVOYCJ-CYBMUJFWSA-N 1 3 332.448 0.055 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419418688 438358227 /nfs/dbraw/zinc/35/82/27/438358227.db2.gz IRNNOXYWGFTPTE-QGZVFWFLSA-N 1 3 344.459 0.371 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000419756318 438371954 /nfs/dbraw/zinc/37/19/54/438371954.db2.gz APGFAGHXPOUQLJ-QGZVFWFLSA-N 1 3 346.475 0.691 20 0 ECADHO C[C@H]1[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCCN1C ZINC000352082160 438377262 /nfs/dbraw/zinc/37/72/62/438377262.db2.gz IAVJMHHFOQDAOR-HOCLYGCPSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@H]1[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCN1C ZINC000352082160 438377266 /nfs/dbraw/zinc/37/72/66/438377266.db2.gz IAVJMHHFOQDAOR-HOCLYGCPSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC2(CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC000368761086 438378628 /nfs/dbraw/zinc/37/86/28/438378628.db2.gz IUAGRIACMLEFAC-GJZGRUSLSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC2(CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC000368761086 438378630 /nfs/dbraw/zinc/37/86/30/438378630.db2.gz IUAGRIACMLEFAC-GJZGRUSLSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420013782 438381584 /nfs/dbraw/zinc/38/15/84/438381584.db2.gz JMTGCMFMIFINEC-FZKCQIBNSA-N 1 3 338.496 0.999 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000420793618 438439096 /nfs/dbraw/zinc/43/90/96/438439096.db2.gz KUXWUDLNKHZKCC-LSDHHAIUSA-N 1 3 339.484 0.309 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000420793618 438439100 /nfs/dbraw/zinc/43/91/00/438439100.db2.gz KUXWUDLNKHZKCC-LSDHHAIUSA-N 1 3 339.484 0.309 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000359260193 438396704 /nfs/dbraw/zinc/39/67/04/438396704.db2.gz BOLOOFLESJWDTC-CVEARBPZSA-N 1 3 340.512 0.927 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000359260193 438396708 /nfs/dbraw/zinc/39/67/08/438396708.db2.gz BOLOOFLESJWDTC-CVEARBPZSA-N 1 3 340.512 0.927 20 0 ECADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCc1ccc2c(c1)OCO2 ZINC000420326431 438399581 /nfs/dbraw/zinc/39/95/81/438399581.db2.gz CGWNXHAJZADAOT-GASCZTMLSA-N 1 3 331.416 0.963 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@H]2CC[NH2+]CC2(C)C)C1 ZINC000420360905 438402306 /nfs/dbraw/zinc/40/23/06/438402306.db2.gz LQALYHFTSUGEJG-CVEARBPZSA-N 1 3 340.512 0.437 20 0 ECADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)NCC(F)(F)F ZINC000420340619 438402466 /nfs/dbraw/zinc/40/24/66/438402466.db2.gz MXGYSNZTLGTPDR-MNOVXSKESA-N 1 3 336.358 0.696 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420451986 438408527 /nfs/dbraw/zinc/40/85/27/438408527.db2.gz RVPRYONPSYLIQU-AWEZNQCLSA-N 1 3 343.497 0.482 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CCN(C)CC2)CC1=O ZINC000369034860 438413920 /nfs/dbraw/zinc/41/39/20/438413920.db2.gz BCPMVRQHJDLVFU-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CCN(C)CC2)CC1=O ZINC000369034860 438413925 /nfs/dbraw/zinc/41/39/25/438413925.db2.gz BCPMVRQHJDLVFU-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000359334672 438414348 /nfs/dbraw/zinc/41/43/48/438414348.db2.gz WKSURXRWDKOCBQ-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1)[NH+]1CCCCC1 ZINC000359704930 438482402 /nfs/dbraw/zinc/48/24/02/438482402.db2.gz NLAVBZYKLSMBQQ-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000369362229 438460004 /nfs/dbraw/zinc/46/00/04/438460004.db2.gz DTHCMYAWKICKPT-MRXNPFEDSA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000369362229 438460005 /nfs/dbraw/zinc/46/00/05/438460005.db2.gz DTHCMYAWKICKPT-MRXNPFEDSA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)N1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000369362229 438460010 /nfs/dbraw/zinc/46/00/10/438460010.db2.gz DTHCMYAWKICKPT-MRXNPFEDSA-N 1 3 337.512 0.891 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000422089473 438516569 /nfs/dbraw/zinc/51/65/69/438516569.db2.gz ACHTXYPSXDPZMP-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422291232 438545871 /nfs/dbraw/zinc/54/58/71/438545871.db2.gz GBBZJHBOFIGNJE-NFOMZHRRSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000422963886 438620689 /nfs/dbraw/zinc/62/06/89/438620689.db2.gz HCXNSVAYLOPBTO-BMFZPTHFSA-N 1 3 325.478 0.959 20 0 ECADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423137196 438642117 /nfs/dbraw/zinc/64/21/17/438642117.db2.gz ZVYQQZHKUFNDRD-ZNMIVQPWSA-N 1 3 332.514 0.754 20 0 ECADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CN ZINC000423137196 438642120 /nfs/dbraw/zinc/64/21/20/438642120.db2.gz ZVYQQZHKUFNDRD-ZNMIVQPWSA-N 1 3 332.514 0.754 20 0 ECADHO COC[C@H](CCC[NH3+])NCCn1cc(Br)ccc1=O ZINC000423147197 438643317 /nfs/dbraw/zinc/64/33/17/438643317.db2.gz RJMQNKRJERZQLT-LBPRGKRZSA-N 1 3 332.242 0.954 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N(C)CC[NH3+] ZINC000423211775 438647984 /nfs/dbraw/zinc/64/79/84/438647984.db2.gz YWGQPLYJNOLSRW-UHFFFAOYSA-N 1 3 342.390 0.272 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CC[C@H]1[NH3+] ZINC000423222912 438649861 /nfs/dbraw/zinc/64/98/61/438649861.db2.gz DEUZTWXZYUNGIK-BZUAXINKSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CC[C@H]1[NH3+] ZINC000423222914 438650012 /nfs/dbraw/zinc/65/00/12/438650012.db2.gz DEUZTWXZYUNGIK-OWCLPIDISA-N 1 3 336.480 0.659 20 0 ECADHO CC(CN(CCO)C1CCOCC1)C[N@H+](CCO)C1CCOCC1 ZINC000444772087 438663516 /nfs/dbraw/zinc/66/35/16/438663516.db2.gz SXXKMWXBEDECEP-UHFFFAOYSA-N 1 3 344.496 0.569 20 0 ECADHO CC(CN(CCO)C1CCOCC1)C[N@@H+](CCO)C1CCOCC1 ZINC000444772087 438663519 /nfs/dbraw/zinc/66/35/19/438663519.db2.gz SXXKMWXBEDECEP-UHFFFAOYSA-N 1 3 344.496 0.569 20 0 ECADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)C[C@H]21 ZINC000410848223 438665717 /nfs/dbraw/zinc/66/57/17/438665717.db2.gz YFYOPYQKCAAFLV-IXDOHACOSA-N 1 3 348.491 0.339 20 0 ECADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@H](C[N@@H+](C)CC4CC4)C3)C[C@H]21 ZINC000410848223 438665721 /nfs/dbraw/zinc/66/57/21/438665721.db2.gz YFYOPYQKCAAFLV-IXDOHACOSA-N 1 3 348.491 0.339 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000410917131 438667671 /nfs/dbraw/zinc/66/76/71/438667671.db2.gz TWSALOAUAPZRKT-GOSISDBHSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000410917131 438667675 /nfs/dbraw/zinc/66/76/75/438667675.db2.gz TWSALOAUAPZRKT-GOSISDBHSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000410944690 438668341 /nfs/dbraw/zinc/66/83/41/438668341.db2.gz LMVOEGYSZXCGLX-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000410944690 438668344 /nfs/dbraw/zinc/66/83/44/438668344.db2.gz LMVOEGYSZXCGLX-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423377025 438668607 /nfs/dbraw/zinc/66/86/07/438668607.db2.gz VNRABYPXKMONMI-CYBMUJFWSA-N 1 3 338.477 0.588 20 0 ECADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)CCN ZINC000423485163 438680029 /nfs/dbraw/zinc/68/00/29/438680029.db2.gz VGDJROOXYVXLJB-QGZVFWFLSA-N 1 3 346.475 0.774 20 0 ECADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)CCN ZINC000423485163 438680033 /nfs/dbraw/zinc/68/00/33/438680033.db2.gz VGDJROOXYVXLJB-QGZVFWFLSA-N 1 3 346.475 0.774 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414186320 438699497 /nfs/dbraw/zinc/69/94/97/438699497.db2.gz HOSVBJRGPRIJCA-AEFFLSMTSA-N 1 3 336.524 0.855 20 0 ECADHO CN1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC000453942245 438702012 /nfs/dbraw/zinc/70/20/12/438702012.db2.gz VZJZEVWDPIVZDX-GOEBONIOSA-N 1 3 330.432 0.849 20 0 ECADHO CCOC(=O)CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CCCC1 ZINC000414713550 438715396 /nfs/dbraw/zinc/71/53/96/438715396.db2.gz WBYCIZMSPHXSNX-CQSZACIVSA-N 1 3 325.453 0.991 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000574785330 438720145 /nfs/dbraw/zinc/72/01/45/438720145.db2.gz KICHBMRCBJGVJI-PMPSAXMXSA-N 1 3 325.501 0.557 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414960849 438724179 /nfs/dbraw/zinc/72/41/79/438724179.db2.gz UQKHSOBLLXBEKZ-PXAZEXFGSA-N 1 3 342.443 0.870 20 0 ECADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415219209 438738721 /nfs/dbraw/zinc/73/87/21/438738721.db2.gz VWQKTIZAYNXICL-HNNXBMFYSA-N 1 3 348.447 0.953 20 0 ECADHO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)N1C ZINC000575878699 438758733 /nfs/dbraw/zinc/75/87/33/438758733.db2.gz FQUXAUUUKDUARH-IYBDPMFKSA-N 1 3 325.501 0.748 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)C1 ZINC000575986604 438762898 /nfs/dbraw/zinc/76/28/98/438762898.db2.gz ITYHQDUBYQOEGM-IXDOHACOSA-N 1 3 332.448 0.739 20 0 ECADHO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000575974576 438763688 /nfs/dbraw/zinc/76/36/88/438763688.db2.gz RYKDVACFDPYDRM-MRXNPFEDSA-N 1 3 336.480 0.579 20 0 ECADHO O=C1O[C@]2(CN1CN1CCN(CC3CC3)CC1)C[NH+]1CCC2CC1 ZINC000497125612 438768974 /nfs/dbraw/zinc/76/89/74/438768974.db2.gz GPAYRJZQOHRMKP-SFHVURJKSA-N 1 3 334.464 0.888 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)C1 ZINC000576445426 438783703 /nfs/dbraw/zinc/78/37/03/438783703.db2.gz NTOMAUSDFSSPQL-CRAIPNDOSA-N 1 3 334.464 0.237 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)C1 ZINC000576445426 438783705 /nfs/dbraw/zinc/78/37/05/438783705.db2.gz NTOMAUSDFSSPQL-CRAIPNDOSA-N 1 3 334.464 0.237 20 0 ECADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000576564127 438787590 /nfs/dbraw/zinc/78/75/90/438787590.db2.gz GPMAXEABTWPHCX-MRXNPFEDSA-N 1 3 348.491 0.770 20 0 ECADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000576564126 438788045 /nfs/dbraw/zinc/78/80/45/438788045.db2.gz GPMAXEABTWPHCX-INIZCTEOSA-N 1 3 348.491 0.770 20 0 ECADHO CNC(=O)CCOC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000576636746 438791688 /nfs/dbraw/zinc/79/16/88/438791688.db2.gz HTSAJIHMNXAESK-ROUUACIJSA-N 1 3 349.475 0.534 20 0 ECADHO CC[NH2+]CCCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000577269221 438829460 /nfs/dbraw/zinc/82/94/60/438829460.db2.gz IVMMXQQKIXJVPY-AWEZNQCLSA-N 1 3 327.473 0.228 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000577607938 438854341 /nfs/dbraw/zinc/85/43/41/438854341.db2.gz JONREULKPNQQJG-ZIAGYGMSSA-N 1 3 327.473 0.404 20 0 ECADHO C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCSC1 ZINC000458518732 438894791 /nfs/dbraw/zinc/89/47/91/438894791.db2.gz RIWFSECZGRSHSZ-GDBMZVCRSA-N 1 3 344.525 0.570 20 0 ECADHO CS[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@@H]1N1CCCC1 ZINC000601397208 438875145 /nfs/dbraw/zinc/87/51/45/438875145.db2.gz LLILRAYHLNAIJG-KBPBESRZSA-N 1 3 335.539 0.780 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1CCN(c2ccncc2)CC1 ZINC000564932123 438889721 /nfs/dbraw/zinc/88/97/21/438889721.db2.gz XBTCBHGEJQJARX-INIZCTEOSA-N 1 3 345.447 0.282 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000564933981 438891182 /nfs/dbraw/zinc/89/11/82/438891182.db2.gz XCNCWNGEZHFSFU-KLAILNCOSA-N 1 3 340.512 0.663 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000516929717 438937136 /nfs/dbraw/zinc/93/71/36/438937136.db2.gz LVOPWSQYNKSCPT-CYBMUJFWSA-N 1 3 335.477 0.867 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CN1C1CC1 ZINC000517022644 438946261 /nfs/dbraw/zinc/94/62/61/438946261.db2.gz WODFFJMROWLIFK-INMHGKMJSA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])C(=O)NCCN(C)C ZINC000517028994 438946450 /nfs/dbraw/zinc/94/64/50/438946450.db2.gz UKBUNTMEZXUTSC-IHRRRGAJSA-N 1 3 329.489 0.504 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000459322035 438956155 /nfs/dbraw/zinc/95/61/55/438956155.db2.gz SYLAAOWYOIBCGM-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000459322035 438956168 /nfs/dbraw/zinc/95/61/68/438956168.db2.gz SYLAAOWYOIBCGM-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO CN1CCN(CCNC(=O)NCc2ccc(C[NH3+])cc2)CC1(C)C ZINC000578984490 438969537 /nfs/dbraw/zinc/96/95/37/438969537.db2.gz IAXUHCXDULVNGW-UHFFFAOYSA-N 1 3 333.480 0.971 20 0 ECADHO O=C(NC[C@@H]1CNCCO1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000566005040 438994750 /nfs/dbraw/zinc/99/47/50/438994750.db2.gz OJYZWICFDOVJFN-OKZBNKHCSA-N 1 3 344.459 0.891 20 0 ECADHO O=C(NC[C@@H]1CNCCO1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000566005040 438994757 /nfs/dbraw/zinc/99/47/57/438994757.db2.gz OJYZWICFDOVJFN-OKZBNKHCSA-N 1 3 344.459 0.891 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N1CCNCC1 ZINC000519643433 439049735 /nfs/dbraw/zinc/04/97/35/439049735.db2.gz QWIJUDFWUQDGDN-WMZOPIPTSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N1CCNCC1 ZINC000519643433 439049740 /nfs/dbraw/zinc/04/97/40/439049740.db2.gz QWIJUDFWUQDGDN-WMZOPIPTSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCNCC1 ZINC000519643433 439049745 /nfs/dbraw/zinc/04/97/45/439049745.db2.gz QWIJUDFWUQDGDN-WMZOPIPTSA-N 1 3 330.476 0.918 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCC([NH+]2CCCC2)CC1 ZINC000459936141 439040434 /nfs/dbraw/zinc/04/04/34/439040434.db2.gz QPGUGAFJAZTLJK-MRXNPFEDSA-N 1 3 334.464 0.380 20 0 ECADHO CC1CCN(CCCNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC000602468346 439092610 /nfs/dbraw/zinc/09/26/10/439092610.db2.gz PRNGYDRLVWCLII-QFIPXVFZSA-N 1 3 329.510 0.725 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000602480338 439095143 /nfs/dbraw/zinc/09/51/43/439095143.db2.gz GJQSXAJUEAGJAF-RYRKJORJSA-N 1 3 338.496 0.380 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C[C@@H]12 ZINC000580541162 439102348 /nfs/dbraw/zinc/10/23/48/439102348.db2.gz FTTYXACMJHRNGX-KLHDSHLOSA-N 1 3 334.464 0.269 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000580569592 439106390 /nfs/dbraw/zinc/10/63/90/439106390.db2.gz WMJKAINRQLPKPI-CQSZACIVSA-N 1 3 326.466 0.012 20 0 ECADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000566511745 439065977 /nfs/dbraw/zinc/06/59/77/439065977.db2.gz AYPGWKWQWHLFRJ-IRXDYDNUSA-N 1 3 344.459 0.240 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460075589 439074246 /nfs/dbraw/zinc/07/42/46/439074246.db2.gz LUKZLYAEMCHCHB-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCCN1 ZINC000566732182 439085356 /nfs/dbraw/zinc/08/53/56/439085356.db2.gz BCQROULVSXSGJZ-JKSUJKDBSA-N 1 3 346.479 0.636 20 0 ECADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580726642 439125329 /nfs/dbraw/zinc/12/53/29/439125329.db2.gz YLMADTUGSAEGTH-RDBSUJKOSA-N 1 3 325.457 0.060 20 0 ECADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580726642 439125332 /nfs/dbraw/zinc/12/53/32/439125332.db2.gz YLMADTUGSAEGTH-RDBSUJKOSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000567608769 439157328 /nfs/dbraw/zinc/15/73/28/439157328.db2.gz MLLOLPGYLRIKDH-NVXWUHKLSA-N 1 3 331.464 0.708 20 0 ECADHO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC000581071944 439165756 /nfs/dbraw/zinc/16/57/56/439165756.db2.gz JJBOKQDXQUDXIR-SJORKVTESA-N 1 3 336.432 0.675 20 0 ECADHO C[C@H](C(=O)N1CCOCC1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000581551272 439226223 /nfs/dbraw/zinc/22/62/23/439226223.db2.gz HQBMWODMOGCSTK-IAGOWNOFSA-N 1 3 338.496 0.241 20 0 ECADHO C[C@@H](C(=O)N1CCOCC1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000581551271 439226637 /nfs/dbraw/zinc/22/66/37/439226637.db2.gz HQBMWODMOGCSTK-DLBZAZTESA-N 1 3 338.496 0.241 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000581142593 439175721 /nfs/dbraw/zinc/17/57/21/439175721.db2.gz GYRLQUOOKPUDGE-INIZCTEOSA-N 1 3 332.448 0.097 20 0 ECADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000581190353 439182790 /nfs/dbraw/zinc/18/27/90/439182790.db2.gz XTBNAZONQUGZSY-BBWFWOEESA-N 1 3 332.448 0.868 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 ZINC000581199715 439184125 /nfs/dbraw/zinc/18/41/25/439184125.db2.gz LTEYADBWSYUSOD-LJQANCHMSA-N 1 3 331.460 0.977 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581203218 439185027 /nfs/dbraw/zinc/18/50/27/439185027.db2.gz ZOXKYQHLTNNMIZ-BARDWOONSA-N 1 3 337.468 0.203 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581203218 439185031 /nfs/dbraw/zinc/18/50/31/439185031.db2.gz ZOXKYQHLTNNMIZ-BARDWOONSA-N 1 3 337.468 0.203 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000524786074 439194677 /nfs/dbraw/zinc/19/46/77/439194677.db2.gz AYSRHHCHDCRWRS-MRXNPFEDSA-N 1 3 325.501 0.798 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000524786074 439194681 /nfs/dbraw/zinc/19/46/81/439194681.db2.gz AYSRHHCHDCRWRS-MRXNPFEDSA-N 1 3 325.501 0.798 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000568087047 439211860 /nfs/dbraw/zinc/21/18/60/439211860.db2.gz KMIXACNFCACQQX-IAGOWNOFSA-N 1 3 331.464 0.313 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)C(C)(C)C ZINC000525817417 439217666 /nfs/dbraw/zinc/21/76/66/439217666.db2.gz NOKMNXPIDGSGQQ-UHFFFAOYSA-N 1 3 329.489 0.284 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1=O ZINC000581610409 439234894 /nfs/dbraw/zinc/23/48/94/439234894.db2.gz MWENZFIGNPWOQR-ARFHVFGLSA-N 1 3 336.480 0.245 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592558869 439254862 /nfs/dbraw/zinc/25/48/62/439254862.db2.gz BEJAXPFQZHVCPE-HUUCEWRRSA-N 1 3 349.479 0.902 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568738318 439272329 /nfs/dbraw/zinc/27/23/29/439272329.db2.gz YPSNXOOMCNSIKF-MAUKXSAKSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCC2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000582369762 439327356 /nfs/dbraw/zinc/32/73/56/439327356.db2.gz VMDMDGSBGSWKFX-CABCVRRESA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCC2(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000582369762 439327360 /nfs/dbraw/zinc/32/73/60/439327360.db2.gz VMDMDGSBGSWKFX-CABCVRRESA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CCN(CC(=O)NCC2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000582369763 439328443 /nfs/dbraw/zinc/32/84/43/439328443.db2.gz VMDMDGSBGSWKFX-GJZGRUSLSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CCN(CC(=O)NCC2(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000582369763 439328450 /nfs/dbraw/zinc/32/84/50/439328450.db2.gz VMDMDGSBGSWKFX-GJZGRUSLSA-N 1 3 336.480 0.435 20 0 ECADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000569447800 439333806 /nfs/dbraw/zinc/33/38/06/439333806.db2.gz UXOWASRTMWCFGO-HZPDHXFCSA-N 1 3 336.480 0.661 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CCC1 ZINC000568983687 439295276 /nfs/dbraw/zinc/29/52/76/439295276.db2.gz MKYGOXHCDCWZCZ-INIZCTEOSA-N 1 3 344.459 0.672 20 0 ECADHO CN1CCN(C[C@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000568990373 439296594 /nfs/dbraw/zinc/29/65/94/439296594.db2.gz BRWHXDCDNORMSU-LJQANCHMSA-N 1 3 347.507 0.496 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000582655776 439362286 /nfs/dbraw/zinc/36/22/86/439362286.db2.gz DSPFAOOAUPHSHW-MRXNPFEDSA-N 1 3 332.448 0.347 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000569909951 439373193 /nfs/dbraw/zinc/37/31/93/439373193.db2.gz KFRUYQSOWAVCLC-CYBMUJFWSA-N 1 3 334.420 0.645 20 0 ECADHO C[C@H]1CCN(CC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000569986933 439381134 /nfs/dbraw/zinc/38/11/34/439381134.db2.gz KVOWUJCCZOHIAU-INIZCTEOSA-N 1 3 338.496 0.241 20 0 ECADHO CC(C)[C@H]1CNCCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000529291331 439400625 /nfs/dbraw/zinc/40/06/25/439400625.db2.gz XABVFSMQGNLAQB-MRXNPFEDSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@H]1CNCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000529327083 439407693 /nfs/dbraw/zinc/40/76/93/439407693.db2.gz AUKUPOORNAKZLJ-OAHLLOKOSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@H]1CNCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000529327083 439407697 /nfs/dbraw/zinc/40/76/97/439407697.db2.gz AUKUPOORNAKZLJ-OAHLLOKOSA-N 1 3 325.501 0.652 20 0 ECADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529342127 439411339 /nfs/dbraw/zinc/41/13/39/439411339.db2.gz RKZSTSMQXJWAAP-KBPBESRZSA-N 1 3 346.422 0.784 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000570425346 439419147 /nfs/dbraw/zinc/41/91/47/439419147.db2.gz XGFBNMYNASBEGP-INIZCTEOSA-N 1 3 325.501 0.783 20 0 ECADHO C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000606699729 439420634 /nfs/dbraw/zinc/42/06/34/439420634.db2.gz TXQHKKGNQCYSLZ-HOCLYGCPSA-N 1 3 326.485 0.863 20 0 ECADHO O=C(C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000583137914 439424432 /nfs/dbraw/zinc/42/44/32/439424432.db2.gz SELGZZGZTHZLHW-DLBZAZTESA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000583203139 439431978 /nfs/dbraw/zinc/43/19/78/439431978.db2.gz PGIFOKHPINRTGM-BTFYYFJDSA-N 1 3 327.428 0.804 20 0 ECADHO [NH3+]CCCOC1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000583563513 439479076 /nfs/dbraw/zinc/47/90/76/439479076.db2.gz DEWLSBCYZPSJMY-QGZVFWFLSA-N 1 3 339.480 0.986 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CNCCN2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000571276973 439489503 /nfs/dbraw/zinc/48/95/03/439489503.db2.gz DQNCNHKXRKBKQM-JFIYKMOQSA-N 1 3 342.528 0.072 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C\CN(C)C)[C@@H](C)CN1C(=O)/C=C/C[NH+](C)C ZINC000492184703 439505792 /nfs/dbraw/zinc/50/57/92/439505792.db2.gz NHOLIRYDJNQVQQ-IZQBVSJMSA-N 1 3 336.480 0.670 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)[C@@H](C)CN1C(=O)/C=C/CN(C)C ZINC000492184703 439505796 /nfs/dbraw/zinc/50/57/96/439505796.db2.gz NHOLIRYDJNQVQQ-IZQBVSJMSA-N 1 3 336.480 0.670 20 0 ECADHO C[N@H+](CCCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1CC1 ZINC000571752924 439527384 /nfs/dbraw/zinc/52/73/84/439527384.db2.gz XBYTTZDVITZISS-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1CC1 ZINC000571752924 439527387 /nfs/dbraw/zinc/52/73/87/439527387.db2.gz XBYTTZDVITZISS-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCCN1 ZINC000583928525 439528846 /nfs/dbraw/zinc/52/88/46/439528846.db2.gz BCQROULVSXSGJZ-CVEARBPZSA-N 1 3 346.479 0.636 20 0 ECADHO O=C(NCCCNCc1cccnc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000584112559 439551267 /nfs/dbraw/zinc/55/12/67/439551267.db2.gz UUYUTWHGDFKNPS-CQSZACIVSA-N 1 3 328.420 0.791 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000573348679 439640813 /nfs/dbraw/zinc/64/08/13/439640813.db2.gz YCGQNYYDTDWZIR-MRXNPFEDSA-N 1 3 331.464 0.662 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000573348679 439640815 /nfs/dbraw/zinc/64/08/15/439640815.db2.gz YCGQNYYDTDWZIR-MRXNPFEDSA-N 1 3 331.464 0.662 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC[N@@H+]1C ZINC000573684853 439662046 /nfs/dbraw/zinc/66/20/46/439662046.db2.gz PPHDOBQIEWFQBG-UNEWFSDZSA-N 1 3 344.459 0.670 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC[N@H+]1C ZINC000573684853 439662051 /nfs/dbraw/zinc/66/20/51/439662051.db2.gz PPHDOBQIEWFQBG-UNEWFSDZSA-N 1 3 344.459 0.670 20 0 ECADHO COC(=O)[C@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)Cc2ccccc21 ZINC000600770859 439700638 /nfs/dbraw/zinc/70/06/38/439700638.db2.gz CYVIUUQWFUOOMY-YOEHRIQHSA-N 1 3 345.443 0.956 20 0 ECADHO COC(=O)[C@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)Cc2ccccc21 ZINC000600770859 439700641 /nfs/dbraw/zinc/70/06/41/439700641.db2.gz CYVIUUQWFUOOMY-YOEHRIQHSA-N 1 3 345.443 0.956 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000612551174 439728667 /nfs/dbraw/zinc/72/86/67/439728667.db2.gz LSCFGNMYAVNKNQ-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCN(Cc2ccc(C(=O)N[C@H](CO)C[NH+](C)C)cc2)CC1 ZINC000614854293 439788983 /nfs/dbraw/zinc/78/89/83/439788983.db2.gz MKPLLTRRHMYCMD-KRWDZBQOSA-N 1 3 334.464 0.086 20 0 ECADHO CC[C@H](C(=O)N[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1)N(C)C ZINC000614985219 439791576 /nfs/dbraw/zinc/79/15/76/439791576.db2.gz QAOMYNJFYRCVHR-CPUCHLNUSA-N 1 3 326.485 0.774 20 0 ECADHO CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000615277651 439798371 /nfs/dbraw/zinc/79/83/71/439798371.db2.gz XNUKTEBIUQMTAZ-CVEARBPZSA-N 1 3 335.452 0.380 20 0 ECADHO NC1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC2(CCC2)C1 ZINC000662762649 439881747 /nfs/dbraw/zinc/88/17/47/439881747.db2.gz XNUBXHSZPDWGOY-HUUCEWRRSA-N 1 3 348.491 0.755 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000662747909 439870997 /nfs/dbraw/zinc/87/09/97/439870997.db2.gz GIUQWLMNPZKDGD-MSOLQXFVSA-N 1 3 347.459 0.623 20 0 ECADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662717702 439856995 /nfs/dbraw/zinc/85/69/95/439856995.db2.gz RFAKGKMJDLKROF-DLBZAZTESA-N 1 3 335.448 0.650 20 0 ECADHO CC(C)OC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899413 439930157 /nfs/dbraw/zinc/93/01/57/439930157.db2.gz CPGMFNDPBMDEQY-HOTGVXAUSA-N 1 3 326.485 0.366 20 0 ECADHO CC(C)OC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899413 439930165 /nfs/dbraw/zinc/93/01/65/439930165.db2.gz CPGMFNDPBMDEQY-HOTGVXAUSA-N 1 3 326.485 0.366 20 0 ECADHO CC(C)OC[C@H](N)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899413 439930172 /nfs/dbraw/zinc/93/01/72/439930172.db2.gz CPGMFNDPBMDEQY-HOTGVXAUSA-N 1 3 326.485 0.366 20 0 ECADHO Cn1c2cc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)ccc2oc1=O ZINC000631820776 439932962 /nfs/dbraw/zinc/93/29/62/439932962.db2.gz FVYGIMFSLXWBQA-CYBMUJFWSA-N 1 3 332.404 0.418 20 0 ECADHO CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626803195 439887026 /nfs/dbraw/zinc/88/70/26/439887026.db2.gz DLRRVNFSNYGAOP-AWEZNQCLSA-N 1 3 332.404 0.318 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cnnn2)cn1 ZINC000617502138 439898183 /nfs/dbraw/zinc/89/81/83/439898183.db2.gz DNYNVGCEGNZGFD-ZDUSSCGKSA-N 1 3 346.439 0.059 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cnnn2)cn1 ZINC000617502138 439898191 /nfs/dbraw/zinc/89/81/91/439898191.db2.gz DNYNVGCEGNZGFD-ZDUSSCGKSA-N 1 3 346.439 0.059 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cn2cccn2)on1 ZINC000617507566 439899023 /nfs/dbraw/zinc/89/90/23/439899023.db2.gz AGOFCEUAIMKNAQ-AWEZNQCLSA-N 1 3 348.451 0.921 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cn2cccn2)on1 ZINC000617507566 439899029 /nfs/dbraw/zinc/89/90/29/439899029.db2.gz AGOFCEUAIMKNAQ-AWEZNQCLSA-N 1 3 348.451 0.921 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000658388399 439911977 /nfs/dbraw/zinc/91/19/77/439911977.db2.gz DHVKVWLJISUXTC-UHFFFAOYSA-N 1 3 331.486 0.419 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642329796 439973689 /nfs/dbraw/zinc/97/36/89/439973689.db2.gz SWSRDJAASQFWCM-UGUYLWEFSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[NH2+]1 ZINC000626964753 439973984 /nfs/dbraw/zinc/97/39/84/439973984.db2.gz XAXYXLHOAHZXOH-QLFBSQMISA-N 1 3 339.484 0.369 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626971407 439975257 /nfs/dbraw/zinc/97/52/57/439975257.db2.gz GVMACLVKKPTXPY-UHFFFAOYSA-N 1 3 330.473 0.493 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000631916871 439978691 /nfs/dbraw/zinc/97/86/91/439978691.db2.gz BMJBFTDEAOWCDW-MRXNPFEDSA-N 1 3 344.525 0.865 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000642439843 439981105 /nfs/dbraw/zinc/98/11/05/439981105.db2.gz PFIUGGJFXHSPAL-GJZGRUSLSA-N 1 3 326.485 0.809 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000642094925 439948219 /nfs/dbraw/zinc/94/82/19/439948219.db2.gz SPOYRWUQYHGZNB-IRXDYDNUSA-N 1 3 346.475 0.534 20 0 ECADHO COCCNCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627083372 440006300 /nfs/dbraw/zinc/00/63/00/440006300.db2.gz RITDVCIIADXDGU-GHMZBOCLSA-N 1 3 326.363 0.391 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000631974071 440019792 /nfs/dbraw/zinc/01/97/92/440019792.db2.gz SKDNHSCIBXHRBW-MFKMUULPSA-N 1 3 329.470 0.172 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000642785896 440036944 /nfs/dbraw/zinc/03/69/44/440036944.db2.gz PCQYXEGPGOCOGE-GUYCJALGSA-N 1 3 344.459 0.923 20 0 ECADHO CC1(C(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C[NH2+]C1 ZINC000663016126 439988828 /nfs/dbraw/zinc/98/88/28/439988828.db2.gz ABQOIGJOPUSJDY-ZDUSSCGKSA-N 1 3 332.452 0.135 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000632060521 440063086 /nfs/dbraw/zinc/06/30/86/440063086.db2.gz OTOZXRXTUHKMIU-HNNXBMFYSA-N 1 3 335.514 0.701 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000642973899 440072697 /nfs/dbraw/zinc/07/26/97/440072697.db2.gz SJOROFWQXAFJSX-RVKKMQEKSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)N2CCC(CN3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627204661 440043906 /nfs/dbraw/zinc/04/39/06/440043906.db2.gz YKLUEIPPJURHNW-WBVHZDCISA-N 1 3 337.512 0.796 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000642809737 440046880 /nfs/dbraw/zinc/04/68/80/440046880.db2.gz CTCWZFJDRZSNRN-AJNGGQMLSA-N 1 3 336.480 0.419 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000642894366 440052924 /nfs/dbraw/zinc/05/29/24/440052924.db2.gz UQICDVSLLCAGNX-QGZVFWFLSA-N 1 3 344.459 0.588 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663312334 440054909 /nfs/dbraw/zinc/05/49/09/440054909.db2.gz VRMULBMPNFYJLT-AWEZNQCLSA-N 1 3 329.470 0.092 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)[C@@H]2C1 ZINC000627231393 440056809 /nfs/dbraw/zinc/05/68/09/440056809.db2.gz LMBUNNUFLIARHE-BPLDGKMQSA-N 1 3 333.440 0.048 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000642906807 440057123 /nfs/dbraw/zinc/05/71/23/440057123.db2.gz OFZJJAADDZNNJC-HUUCEWRRSA-N 1 3 345.447 0.235 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000627291926 440099962 /nfs/dbraw/zinc/09/99/62/440099962.db2.gz IGPGDFXUTXBVKK-CWRNSKLLSA-N 1 3 332.448 0.142 20 0 ECADHO C[C@@H](CN1CCCC1=O)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663755067 440166196 /nfs/dbraw/zinc/16/61/96/440166196.db2.gz JUNFZHQNCOWZRP-GJZGRUSLSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@@H](CN1CCCC1=O)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663755067 440166202 /nfs/dbraw/zinc/16/62/02/440166202.db2.gz JUNFZHQNCOWZRP-GJZGRUSLSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653426050 440167775 /nfs/dbraw/zinc/16/77/75/440167775.db2.gz ITALFEOADYMGOG-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653435620 440173675 /nfs/dbraw/zinc/17/36/75/440173675.db2.gz ABHSJGXTBWPDDF-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653435620 440173679 /nfs/dbraw/zinc/17/36/79/440173679.db2.gz ABHSJGXTBWPDDF-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000663787952 440174407 /nfs/dbraw/zinc/17/44/07/440174407.db2.gz MPQZQWJXPSIUJS-OAHLLOKOSA-N 1 3 341.500 0.380 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000663787952 440174413 /nfs/dbraw/zinc/17/44/13/440174413.db2.gz MPQZQWJXPSIUJS-OAHLLOKOSA-N 1 3 341.500 0.380 20 0 ECADHO CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000653445978 440179017 /nfs/dbraw/zinc/17/90/17/440179017.db2.gz INYRIJRQFABFKI-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000627425787 440194652 /nfs/dbraw/zinc/19/46/52/440194652.db2.gz ZQNDVBBXKYDMHZ-RBSFLKMASA-N 1 3 334.464 0.520 20 0 ECADHO CCN(C(=O)C(=O)N1CCC(C[NH+](C)C)CC1)[C@H]1CCN(CC)C1 ZINC000658829512 440145869 /nfs/dbraw/zinc/14/58/69/440145869.db2.gz LGEORIBDSLAIBN-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000653391704 440150505 /nfs/dbraw/zinc/15/05/05/440150505.db2.gz IUEUXMZSOPKMHE-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000653391704 440150510 /nfs/dbraw/zinc/15/05/10/440150510.db2.gz IUEUXMZSOPKMHE-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO [NH3+]CC[C@@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)C(F)(F)F ZINC000659023694 440209107 /nfs/dbraw/zinc/20/91/07/440209107.db2.gz LZQAAADNLJMXRL-NWDGAFQWSA-N 1 3 338.374 0.819 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000637264035 440221277 /nfs/dbraw/zinc/22/12/77/440221277.db2.gz JOSUYGPTWMXOOC-RRFJBIMHSA-N 1 3 330.473 0.098 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000637264035 440221282 /nfs/dbraw/zinc/22/12/82/440221282.db2.gz JOSUYGPTWMXOOC-RRFJBIMHSA-N 1 3 330.473 0.098 20 0 ECADHO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659071554 440224315 /nfs/dbraw/zinc/22/43/15/440224315.db2.gz OKABFDJHDGJAJP-HNNXBMFYSA-N 1 3 348.447 0.742 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[NH2+]1 ZINC000627481889 440234454 /nfs/dbraw/zinc/23/44/54/440234454.db2.gz JIMJPKRJOMOWBU-ZIAGYGMSSA-N 1 3 336.436 0.427 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N1CCC[C@@H](C)C1 ZINC000627440229 440206958 /nfs/dbraw/zinc/20/69/58/440206958.db2.gz GJRCFEGHQUNRDM-ILXRZTDVSA-N 1 3 336.480 0.624 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627498577 440242493 /nfs/dbraw/zinc/24/24/93/440242493.db2.gz CUTJLYAXEZMTJG-LSDHHAIUSA-N 1 3 326.485 0.679 20 0 ECADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507116 440244243 /nfs/dbraw/zinc/24/42/43/440244243.db2.gz AYPGWKWQWHLFRJ-IAGOWNOFSA-N 1 3 344.459 0.240 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000664189003 440254692 /nfs/dbraw/zinc/25/46/92/440254692.db2.gz VQNGVPWXWHHTRV-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000664189003 440254698 /nfs/dbraw/zinc/25/46/98/440254698.db2.gz VQNGVPWXWHHTRV-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654373787 440303359 /nfs/dbraw/zinc/30/33/59/440303359.db2.gz BLOMGJQDRSWAFZ-VVLHAWIVSA-N 1 3 338.496 0.815 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654373787 440303365 /nfs/dbraw/zinc/30/33/65/440303365.db2.gz BLOMGJQDRSWAFZ-VVLHAWIVSA-N 1 3 338.496 0.815 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664499396 440319569 /nfs/dbraw/zinc/31/95/69/440319569.db2.gz XDPHGJGAMXWNBT-JYJNAYRXSA-N 1 3 326.485 0.671 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664499396 440319573 /nfs/dbraw/zinc/31/95/73/440319573.db2.gz XDPHGJGAMXWNBT-JYJNAYRXSA-N 1 3 326.485 0.671 20 0 ECADHO O=C1NC(=O)[C@@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]12 ZINC000648749806 440319986 /nfs/dbraw/zinc/31/99/86/440319986.db2.gz BVACGRYRXPOZNQ-CALCHBBNSA-N 1 3 343.427 0.866 20 0 ECADHO COc1ccccc1[C@H](N)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000637805290 440338638 /nfs/dbraw/zinc/33/86/38/440338638.db2.gz XRQLENFSBMMOTA-OAHLLOKOSA-N 1 3 331.420 0.883 20 0 ECADHO N[C@H]1CCCCN(CC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1=O ZINC000643800992 440326880 /nfs/dbraw/zinc/32/68/80/440326880.db2.gz OPGIRSMDAYOEND-HOTGVXAUSA-N 1 3 332.448 0.923 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659466765 440333691 /nfs/dbraw/zinc/33/36/91/440333691.db2.gz JYHRKIUDEGQPLW-GFCCVEGCSA-N 1 3 336.440 0.418 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659466765 440333696 /nfs/dbraw/zinc/33/36/96/440333696.db2.gz JYHRKIUDEGQPLW-GFCCVEGCSA-N 1 3 336.440 0.418 20 0 ECADHO CCCN1CC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000659613313 440375384 /nfs/dbraw/zinc/37/53/84/440375384.db2.gz ZQLBIJGEZWEULR-LSDHHAIUSA-N 1 3 339.484 0.500 20 0 ECADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630247 440381969 /nfs/dbraw/zinc/38/19/69/440381969.db2.gz MNWDMWDZRHXDDG-WCQYABFASA-N 1 3 334.424 0.409 20 0 ECADHO CCCN(CC[NH+](CC)CC)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630870 440385070 /nfs/dbraw/zinc/38/50/70/440385070.db2.gz OFDNQRVRXILUNV-UHFFFAOYSA-N 1 3 338.456 0.904 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)cn1 ZINC000633012175 440406762 /nfs/dbraw/zinc/40/67/62/440406762.db2.gz IXDHWTPLUBWIJC-CYBMUJFWSA-N 1 3 336.440 0.113 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000659677955 440411941 /nfs/dbraw/zinc/41/19/41/440411941.db2.gz JDNJKPYWTIUYCR-WBVHZDCISA-N 1 3 346.475 0.739 20 0 ECADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638149668 440467590 /nfs/dbraw/zinc/46/75/90/440467590.db2.gz SONPWSACKFYMGG-HRCADAONSA-N 1 3 338.496 0.857 20 0 ECADHO CC1([NH3+])CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659737836 440474419 /nfs/dbraw/zinc/47/44/19/440474419.db2.gz WAVZPZPXFJCZRW-AWEZNQCLSA-N 1 3 336.480 0.849 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCO)COC)CC2)CC1 ZINC000654917662 440435795 /nfs/dbraw/zinc/43/57/95/440435795.db2.gz STXWDZARZCPQMG-INIZCTEOSA-N 1 3 341.496 0.696 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000659704311 440438998 /nfs/dbraw/zinc/43/89/98/440438998.db2.gz MGNNUYBBIRQIPE-ZOBUZTSGSA-N 1 3 346.475 0.880 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633101780 440445596 /nfs/dbraw/zinc/44/55/96/440445596.db2.gz YIJKFNDYXRSFFI-XHSDSOJGSA-N 1 3 336.480 0.802 20 0 ECADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659712885 440447349 /nfs/dbraw/zinc/44/73/49/440447349.db2.gz GTOUMUHBGJNKPI-CABCVRRESA-N 1 3 336.480 0.768 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNCC2)[C@H](C)C1 ZINC000638117673 440450461 /nfs/dbraw/zinc/45/04/61/440450461.db2.gz SQVKCHNHEUEYRC-HZPDHXFCSA-N 1 3 326.485 0.145 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CN2CCNCC2)[C@H](C)C1 ZINC000638117673 440450468 /nfs/dbraw/zinc/45/04/68/440450468.db2.gz SQVKCHNHEUEYRC-HZPDHXFCSA-N 1 3 326.485 0.145 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659719504 440455963 /nfs/dbraw/zinc/45/59/63/440455963.db2.gz VWHYWAOOYWRSAH-AWEZNQCLSA-N 1 3 347.463 0.121 20 0 ECADHO CC1(C)CN[C@@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000644161494 440456915 /nfs/dbraw/zinc/45/69/15/440456915.db2.gz KRVWATMZSKSCOS-MRXNPFEDSA-N 1 3 332.448 0.907 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000638135798 440457047 /nfs/dbraw/zinc/45/70/47/440457047.db2.gz WFRIQDIXOKIUSA-DOTOQJQBSA-N 1 3 327.469 0.759 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638136658 440457152 /nfs/dbraw/zinc/45/71/52/440457152.db2.gz KGDLRWHZKCGQMX-UHFFFAOYSA-N 1 3 345.491 0.668 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000659756569 440492463 /nfs/dbraw/zinc/49/24/63/440492463.db2.gz RXCXEMPTMAGXIO-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cn1 ZINC000633561081 440519915 /nfs/dbraw/zinc/51/99/15/440519915.db2.gz CSNFOOKMRIGZBY-UHFFFAOYSA-N 1 3 335.452 0.382 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(F)(F)C[C@H]1CO ZINC000665761426 440524753 /nfs/dbraw/zinc/52/47/53/440524753.db2.gz CQCGTMZRRLHRKJ-STQMWFEESA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(F)(F)C[C@H]1CO ZINC000665761426 440524757 /nfs/dbraw/zinc/52/47/57/440524757.db2.gz CQCGTMZRRLHRKJ-STQMWFEESA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000665762777 440525242 /nfs/dbraw/zinc/52/52/42/440525242.db2.gz PKIQVBUZVVTFDX-HRCADAONSA-N 1 3 327.517 0.992 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000638392793 440528087 /nfs/dbraw/zinc/52/80/87/440528087.db2.gz IZXWWGVYYQDLPO-BBWFWOEESA-N 1 3 349.479 0.946 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC(=O)N1CCCC1 ZINC000665764572 440530155 /nfs/dbraw/zinc/53/01/55/440530155.db2.gz JLFJQJNFSNFCIH-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC(=O)N1CCCC1 ZINC000665764572 440530158 /nfs/dbraw/zinc/53/01/58/440530158.db2.gz JLFJQJNFSNFCIH-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296869 440531645 /nfs/dbraw/zinc/53/16/45/440531645.db2.gz CTTGWXYIFOQRKC-JKSUJKDBSA-N 1 3 337.464 0.299 20 0 ECADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296869 440531653 /nfs/dbraw/zinc/53/16/53/440531653.db2.gz CTTGWXYIFOQRKC-JKSUJKDBSA-N 1 3 337.464 0.299 20 0 ECADHO N[C@@H]1CCCCN(CC(=O)N2CCCc3cccc(C[NH3+])c32)C1=O ZINC000638543718 440567941 /nfs/dbraw/zinc/56/79/41/440567941.db2.gz ORHBAVBAYASQQN-OAHLLOKOSA-N 1 3 330.432 0.764 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cn1 ZINC000633658707 440536237 /nfs/dbraw/zinc/53/62/37/440536237.db2.gz ZXOPIPRVYTYNMG-INIZCTEOSA-N 1 3 337.468 0.628 20 0 ECADHO COC[C@]1(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCCCN1 ZINC000638432502 440537002 /nfs/dbraw/zinc/53/70/02/440537002.db2.gz KEIAMKNBHDYPID-RDJZCZTQSA-N 1 3 327.469 0.714 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000638725607 440607394 /nfs/dbraw/zinc/60/73/94/440607394.db2.gz CFPOTMBIUSGOFK-CABCVRRESA-N 1 3 325.453 0.454 20 0 ECADHO N[C@H](Cc1ccccc1)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987509 440659898 /nfs/dbraw/zinc/65/98/98/440659898.db2.gz RYGWJSGGXVIALT-MRXNPFEDSA-N 1 3 325.416 1.000 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)N1CCCC1 ZINC000666624516 440665257 /nfs/dbraw/zinc/66/52/57/440665257.db2.gz JMCQJKXASJDVTH-CYBMUJFWSA-N 1 3 334.420 0.563 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000639057311 440671512 /nfs/dbraw/zinc/67/15/12/440671512.db2.gz LYMOGEKGSPNGMJ-MRXNPFEDSA-N 1 3 326.529 0.837 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@@H](C(N)=O)C3)CC2)CC1 ZINC000650797828 440682586 /nfs/dbraw/zinc/68/25/86/440682586.db2.gz FASJOMNQWXKTSQ-XBXGTLAGSA-N 1 3 337.468 0.108 20 0 ECADHO CCCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660585592 440685560 /nfs/dbraw/zinc/68/55/60/440685560.db2.gz RVPSNBBZDWLSSV-CABCVRRESA-N 1 3 339.484 0.357 20 0 ECADHO CCCN1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660585592 440685567 /nfs/dbraw/zinc/68/55/67/440685567.db2.gz RVPSNBBZDWLSSV-CABCVRRESA-N 1 3 339.484 0.357 20 0 ECADHO NC[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)C(F)(F)F ZINC000655918197 440642937 /nfs/dbraw/zinc/64/29/37/440642937.db2.gz GZGDTDUOTNNUGU-GHMZBOCLSA-N 1 3 326.363 0.412 20 0 ECADHO NC[C@@H](NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO)C(F)(F)F ZINC000655918197 440642943 /nfs/dbraw/zinc/64/29/43/440642943.db2.gz GZGDTDUOTNNUGU-GHMZBOCLSA-N 1 3 326.363 0.412 20 0 ECADHO O=C(CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000634699036 440689880 /nfs/dbraw/zinc/68/98/80/440689880.db2.gz DMWXWTHZLZGQPO-LJQANCHMSA-N 1 3 347.459 0.462 20 0 ECADHO O=C(CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000634699036 440689887 /nfs/dbraw/zinc/68/98/87/440689887.db2.gz DMWXWTHZLZGQPO-LJQANCHMSA-N 1 3 347.459 0.462 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000656017656 440691569 /nfs/dbraw/zinc/69/15/69/440691569.db2.gz BQROGQLYJBYMBO-HUUCEWRRSA-N 1 3 336.480 0.897 20 0 ECADHO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634702956 440692462 /nfs/dbraw/zinc/69/24/62/440692462.db2.gz NKSJFJWAPYBVKJ-UYAOXDASSA-N 1 3 346.519 0.849 20 0 ECADHO C[C@H](CN1CCN(C)CC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634702956 440692466 /nfs/dbraw/zinc/69/24/66/440692466.db2.gz NKSJFJWAPYBVKJ-UYAOXDASSA-N 1 3 346.519 0.849 20 0 ECADHO C[C@H](CN1CCN(C)CC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634702956 440692472 /nfs/dbraw/zinc/69/24/72/440692472.db2.gz NKSJFJWAPYBVKJ-UYAOXDASSA-N 1 3 346.519 0.849 20 0 ECADHO OC[C@@H](CN1CCCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634722524 440697400 /nfs/dbraw/zinc/69/74/00/440697400.db2.gz QJEYBXLDRXFSSR-RTBURBONSA-N 1 3 333.476 0.670 20 0 ECADHO OC[C@@H](CN1CCCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722524 440697404 /nfs/dbraw/zinc/69/74/04/440697404.db2.gz QJEYBXLDRXFSSR-RTBURBONSA-N 1 3 333.476 0.670 20 0 ECADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)CC2(O)CCOCC2)CCCO1 ZINC000634712898 440694152 /nfs/dbraw/zinc/69/41/52/440694152.db2.gz NOYKXUYYIFLMFX-CVEARBPZSA-N 1 3 330.469 0.369 20 0 ECADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)CC2(O)CCOCC2)CCCO1 ZINC000634712898 440694158 /nfs/dbraw/zinc/69/41/58/440694158.db2.gz NOYKXUYYIFLMFX-CVEARBPZSA-N 1 3 330.469 0.369 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@H]1C[NH3+] ZINC000656028469 440700664 /nfs/dbraw/zinc/70/06/64/440700664.db2.gz LJLDDQCONBDDMI-FPCVCCKLSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000656306494 440757366 /nfs/dbraw/zinc/75/73/66/440757366.db2.gz ARBQXPQNDQRSCZ-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO C[NH2+]CCOCCN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000629530349 440717720 /nfs/dbraw/zinc/71/77/20/440717720.db2.gz DHOOJODNLPAJCW-HNNXBMFYSA-N 1 3 327.450 0.537 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000629561090 440728962 /nfs/dbraw/zinc/72/89/62/440728962.db2.gz ZTPGYCHGBDHRCJ-GOSISDBHSA-N 1 3 348.491 0.524 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000645451165 440808536 /nfs/dbraw/zinc/80/85/36/440808536.db2.gz FINGHWKQGBTFMD-CQSZACIVSA-N 1 3 339.484 0.622 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000645451165 440808539 /nfs/dbraw/zinc/80/85/39/440808539.db2.gz FINGHWKQGBTFMD-CQSZACIVSA-N 1 3 339.484 0.622 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1C ZINC000629798707 440766390 /nfs/dbraw/zinc/76/63/90/440766390.db2.gz BQMYFKDPHNJPRF-NONVJHHQSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000645259627 440771347 /nfs/dbraw/zinc/77/13/47/440771347.db2.gz CXBQLDFBCNVELI-KBPBESRZSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000645259627 440771355 /nfs/dbraw/zinc/77/13/55/440771355.db2.gz CXBQLDFBCNVELI-KBPBESRZSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C[N@@H+]1C1CC1 ZINC000645268391 440774015 /nfs/dbraw/zinc/77/40/15/440774015.db2.gz SJKSAOUMOXFGOX-MGPQQGTHSA-N 1 3 337.468 0.373 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C[N@H+]1C1CC1 ZINC000645268391 440774018 /nfs/dbraw/zinc/77/40/18/440774018.db2.gz SJKSAOUMOXFGOX-MGPQQGTHSA-N 1 3 337.468 0.373 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645360786 440790009 /nfs/dbraw/zinc/79/00/09/440790009.db2.gz DXZMYYIKMBPSFG-GOEBONIOSA-N 1 3 336.480 0.975 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635489350 440870667 /nfs/dbraw/zinc/87/06/67/440870667.db2.gz YYDGJITYBRANAE-GDBMZVCRSA-N 1 3 336.480 0.707 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635489350 440870673 /nfs/dbraw/zinc/87/06/73/440870673.db2.gz YYDGJITYBRANAE-GDBMZVCRSA-N 1 3 336.480 0.707 20 0 ECADHO CO[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@](C)(C[NH3+])C1 ZINC000630363190 440888580 /nfs/dbraw/zinc/88/85/80/440888580.db2.gz CHPVDMQFZNGTQB-LNLFQRSKSA-N 1 3 348.491 0.844 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000635640936 440932521 /nfs/dbraw/zinc/93/25/21/440932521.db2.gz QOCHYACUMRTRGC-GVDBMIGSSA-N 1 3 339.480 0.809 20 0 ECADHO O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H]1CC[NH2+]C1 ZINC000646071121 440988462 /nfs/dbraw/zinc/98/84/62/440988462.db2.gz MURFXIBWSSAWNL-QAPCUYQASA-N 1 3 328.416 0.792 20 0 ECADHO CCN1CCN(CCCCNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652129065 441016813 /nfs/dbraw/zinc/01/68/13/441016813.db2.gz UQIXFTKTWSBSNJ-UHFFFAOYSA-N 1 3 325.501 0.832 20 0 ECADHO Cn1cc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000662336427 441017097 /nfs/dbraw/zinc/01/70/97/441017097.db2.gz DDPXOBVZZCJOEO-OAHLLOKOSA-N 1 3 329.452 0.932 20 0 ECADHO O=C(C[C@@H]1NCc2ccccc21)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000662426684 441038441 /nfs/dbraw/zinc/03/84/41/441038441.db2.gz ZPBWVPXBINWYID-ZDUSSCGKSA-N 1 3 327.392 0.387 20 0 ECADHO COCC[N@H+](C)C[C@@H](O)Cn1cc(CNC2CCCCC2)nn1 ZINC000641224828 441078751 /nfs/dbraw/zinc/07/87/51/441078751.db2.gz WXQNESGAGBYIED-MRXNPFEDSA-N 1 3 325.457 0.640 20 0 ECADHO COCC[N@@H+](C)C[C@@H](O)Cn1cc(CNC2CCCCC2)nn1 ZINC000641224828 441078755 /nfs/dbraw/zinc/07/87/55/441078755.db2.gz WXQNESGAGBYIED-MRXNPFEDSA-N 1 3 325.457 0.640 20 0 ECADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)N1CCOCC1 ZINC000339703593 321000097 /nfs/dbraw/zinc/00/00/97/321000097.db2.gz YIRXNVWXMDLBSY-HNNXBMFYSA-N 1 3 338.496 0.382 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000340252020 321029456 /nfs/dbraw/zinc/02/94/56/321029456.db2.gz FAYDGPBTLUCPTF-HUUCEWRRSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000340252020 321029457 /nfs/dbraw/zinc/02/94/57/321029457.db2.gz FAYDGPBTLUCPTF-HUUCEWRRSA-N 1 3 336.480 0.744 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(C)C ZINC000340425797 321044008 /nfs/dbraw/zinc/04/40/08/321044008.db2.gz UKUOKWMLXLZPRQ-INIZCTEOSA-N 1 3 344.525 0.386 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(C)C ZINC000340425797 321044009 /nfs/dbraw/zinc/04/40/09/321044009.db2.gz UKUOKWMLXLZPRQ-INIZCTEOSA-N 1 3 344.525 0.386 20 0 ECADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000343139103 321124008 /nfs/dbraw/zinc/12/40/08/321124008.db2.gz PBRIOKUKOLAUHW-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000343139103 321124010 /nfs/dbraw/zinc/12/40/10/321124010.db2.gz PBRIOKUKOLAUHW-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000353508492 321396462 /nfs/dbraw/zinc/39/64/62/321396462.db2.gz GCGBFRRQFFEPRB-XHSDSOJGSA-N 1 3 338.496 0.679 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000368010834 321711044 /nfs/dbraw/zinc/71/10/44/321711044.db2.gz UJHRQQNBSPUYFC-UKRRQHHQSA-N 1 3 325.453 0.766 20 0 ECADHO CN(C)CCOCCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000520426530 321972875 /nfs/dbraw/zinc/97/28/75/321972875.db2.gz LCYBGMKIBAQCRE-OAHLLOKOSA-N 1 3 329.510 0.898 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)Cc1ccccc1 ZINC000550032501 322164725 /nfs/dbraw/zinc/16/47/25/322164725.db2.gz OXHPMAWEETWDCQ-KRWDZBQOSA-N 1 3 348.491 0.686 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000563093929 322297223 /nfs/dbraw/zinc/29/72/23/322297223.db2.gz XQQQXZHYJOVZNM-KBPBESRZSA-N 1 3 349.479 0.903 20 0 ECADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000563101429 322298025 /nfs/dbraw/zinc/29/80/25/322298025.db2.gz NBRKLEOCLWHPNG-UHFFFAOYSA-N 1 3 341.419 0.155 20 0 ECADHO CN1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@@H](C[NH3+])C1 ZINC000563102113 322298363 /nfs/dbraw/zinc/29/83/63/322298363.db2.gz WYBIDXKEDCXRMR-KRWDZBQOSA-N 1 3 325.416 0.962 20 0 ECADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCS1 ZINC000563147602 322301157 /nfs/dbraw/zinc/30/11/57/322301157.db2.gz OYPFFENARKTCSG-AWEZNQCLSA-N 1 3 344.525 0.292 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000564328444 322370042 /nfs/dbraw/zinc/37/00/42/322370042.db2.gz OIJBHIUFDGNZJQ-AWEZNQCLSA-N 1 3 342.403 0.764 20 0 ECADHO CCC1(CC)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000564543431 322378921 /nfs/dbraw/zinc/37/89/21/322378921.db2.gz AJQAOMWURWZVFH-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CSCC[C@@H](N)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000564936372 322410551 /nfs/dbraw/zinc/41/05/51/322410551.db2.gz FYJXEJVTPZWGKF-CHWSQXEVSA-N 1 3 330.498 0.174 20 0 ECADHO COc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cc1S(N)(=O)=O ZINC000569988512 322672223 /nfs/dbraw/zinc/67/22/23/322672223.db2.gz QYNLWGVHMPGRBH-QWHCGFSZSA-N 1 3 327.450 0.745 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000572377135 322743686 /nfs/dbraw/zinc/74/36/86/322743686.db2.gz MKRKWEUUDFMUFQ-HNNXBMFYSA-N 1 3 348.495 0.855 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000577269737 322830293 /nfs/dbraw/zinc/83/02/93/322830293.db2.gz AVHHHCUKBFJNID-SFHVURJKSA-N 1 3 336.480 0.579 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000578353970 322862182 /nfs/dbraw/zinc/86/21/82/322862182.db2.gz CZTPXWDBXGMITB-WTXIUTQJSA-N 1 3 337.464 0.010 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000103596121 517636458 /nfs/dbraw/zinc/63/64/58/517636458.db2.gz AJOZXUGAWFMWLT-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000120168820 545749948 /nfs/dbraw/zinc/74/99/48/545749948.db2.gz YRPKNWGJEUDAOY-UHFFFAOYSA-N 1 3 338.456 0.087 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C[C@@H](C)O1 ZINC000162789456 545858284 /nfs/dbraw/zinc/85/82/84/545858284.db2.gz DZKQTHUMMONBDY-DUQPFJRNSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C[C@@H](C)O1 ZINC000162789456 545858287 /nfs/dbraw/zinc/85/82/87/545858287.db2.gz DZKQTHUMMONBDY-DUQPFJRNSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)C[C@@H](C)O1 ZINC000162789456 545858292 /nfs/dbraw/zinc/85/82/92/545858292.db2.gz DZKQTHUMMONBDY-DUQPFJRNSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)C[C@@H](C)O1 ZINC000162789456 545858293 /nfs/dbraw/zinc/85/82/93/545858293.db2.gz DZKQTHUMMONBDY-DUQPFJRNSA-N 1 3 325.497 0.873 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000343017297 546093435 /nfs/dbraw/zinc/09/34/35/546093435.db2.gz SMTMTDXYAVNPCA-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CN1Cc1ccccc1 ZINC000398171133 546195144 /nfs/dbraw/zinc/19/51/44/546195144.db2.gz UUCDJKWNKPDUJR-ZFWWWQNUSA-N 1 3 328.420 0.630 20 0 ECADHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1(C)C ZINC000623426021 546788975 /nfs/dbraw/zinc/78/89/75/546788975.db2.gz YKWPOWLCKPGJTN-JKSUJKDBSA-N 1 3 338.496 0.382 20 0 ECADHO Nc1nc(N)nc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000624213412 546890416 /nfs/dbraw/zinc/89/04/16/546890416.db2.gz BNWMJNXWXUMHGM-QGZVFWFLSA-N 1 3 325.420 0.799 20 0 ECADHO Nc1nc(N)nc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000624213412 546890420 /nfs/dbraw/zinc/89/04/20/546890420.db2.gz BNWMJNXWXUMHGM-QGZVFWFLSA-N 1 3 325.420 0.799 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000667559366 547531340 /nfs/dbraw/zinc/53/13/40/547531340.db2.gz KSNLSCNYOOLLCJ-CQSZACIVSA-N 1 3 348.447 0.953 20 0 ECADHO CCN(C(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCN(CC)C1 ZINC000668421268 547651551 /nfs/dbraw/zinc/65/15/51/547651551.db2.gz UNIFNBRRIGMCLK-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000668542771 547681931 /nfs/dbraw/zinc/68/19/31/547681931.db2.gz CHGVMUCBFFIYOE-QLFBSQMISA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000668542771 547681933 /nfs/dbraw/zinc/68/19/33/547681933.db2.gz CHGVMUCBFFIYOE-QLFBSQMISA-N 1 3 336.480 0.718 20 0 ECADHO CCN(C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)[C@H]1CCN(CC)C1 ZINC000668625582 547705184 /nfs/dbraw/zinc/70/51/84/547705184.db2.gz VDFFQDGRHCKOFX-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])[C@H](c1ccccc1)N(C)C ZINC000669583509 547909755 /nfs/dbraw/zinc/90/97/55/547909755.db2.gz PVNNTBWHAMSRPZ-USXIJHARSA-N 1 3 333.480 0.962 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000670431012 548008602 /nfs/dbraw/zinc/00/86/02/548008602.db2.gz FAISHXWIMLYASK-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000670431012 548008604 /nfs/dbraw/zinc/00/86/04/548008604.db2.gz FAISHXWIMLYASK-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000670983958 548075899 /nfs/dbraw/zinc/07/58/99/548075899.db2.gz CRRYQVRAMIBOBL-HOCLYGCPSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000670983958 548075900 /nfs/dbraw/zinc/07/59/00/548075900.db2.gz CRRYQVRAMIBOBL-HOCLYGCPSA-N 1 3 336.480 0.435 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000671123149 548096551 /nfs/dbraw/zinc/09/65/51/548096551.db2.gz XXJSEFUYYJCNHP-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000671123149 548096556 /nfs/dbraw/zinc/09/65/56/548096556.db2.gz XXJSEFUYYJCNHP-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671181483 548106409 /nfs/dbraw/zinc/10/64/09/548106409.db2.gz KEXDVVOIQNOQIS-WCXIOVBPSA-N 1 3 348.491 0.815 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671181483 548106413 /nfs/dbraw/zinc/10/64/13/548106413.db2.gz KEXDVVOIQNOQIS-WCXIOVBPSA-N 1 3 348.491 0.815 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CCCC1 ZINC000672307940 548303593 /nfs/dbraw/zinc/30/35/93/548303593.db2.gz SOKXRTZEWHILQY-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CCCC1 ZINC000672307940 548303599 /nfs/dbraw/zinc/30/35/99/548303599.db2.gz SOKXRTZEWHILQY-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672307260 548304532 /nfs/dbraw/zinc/30/45/32/548304532.db2.gz RWZVXAQUKHKUFF-GVDBMIGSSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672307260 548304535 /nfs/dbraw/zinc/30/45/35/548304535.db2.gz RWZVXAQUKHKUFF-GVDBMIGSSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CCCC1 ZINC000672307941 548304565 /nfs/dbraw/zinc/30/45/65/548304565.db2.gz SOKXRTZEWHILQY-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CCCC1 ZINC000672307941 548304567 /nfs/dbraw/zinc/30/45/67/548304567.db2.gz SOKXRTZEWHILQY-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310003 548305579 /nfs/dbraw/zinc/30/55/79/548305579.db2.gz CFFZMATZMVPJNM-IVMMDQJWSA-N 1 3 334.464 0.186 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310003 548305581 /nfs/dbraw/zinc/30/55/81/548305581.db2.gz CFFZMATZMVPJNM-IVMMDQJWSA-N 1 3 334.464 0.186 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000672516875 548340349 /nfs/dbraw/zinc/34/03/49/548340349.db2.gz KKFKMZXUWWNMFY-YHUYYLMFSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000672516875 548340355 /nfs/dbraw/zinc/34/03/55/548340355.db2.gz KKFKMZXUWWNMFY-YHUYYLMFSA-N 1 3 340.512 0.925 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000672699755 548375732 /nfs/dbraw/zinc/37/57/32/548375732.db2.gz GANBCFTXKBUASO-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO COCCN1CCC(NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673870366 548552569 /nfs/dbraw/zinc/55/25/69/548552569.db2.gz ZVRDVHWAZDFPNX-UHFFFAOYSA-N 1 3 338.456 0.677 20 0 ECADHO C[C@H](C(=O)N[C@@H]1CCCN(C)C1)[C@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000682893503 549445907 /nfs/dbraw/zinc/44/59/07/549445907.db2.gz WJCMDOSEVHTYCY-CAOSSQGBSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](C(=O)N[C@@H]1CCCN(C)C1)[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000682893503 549445908 /nfs/dbraw/zinc/44/59/08/549445908.db2.gz WJCMDOSEVHTYCY-CAOSSQGBSA-N 1 3 338.496 0.679 20 0 ECADHO CN(C)CCN1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727069728 578154270 /nfs/dbraw/zinc/15/42/70/578154270.db2.gz GNQAQBKCEHYVAH-UHFFFAOYSA-N 1 3 329.558 0.628 20 0 ECADHO C[NH+](C)CCN1CCC(CNC(=O)CCN2CCOCC2)CC1 ZINC000733976087 578350725 /nfs/dbraw/zinc/35/07/25/578350725.db2.gz FKJMPKSLDKOYKU-UHFFFAOYSA-N 1 3 326.485 0.099 20 0 ECADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000793937760 578567078 /nfs/dbraw/zinc/56/70/78/578567078.db2.gz QGVHLNUWPIJIHN-UHFFFAOYSA-N 1 3 346.475 0.917 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841039759 588976942 /nfs/dbraw/zinc/97/69/42/588976942.db2.gz ATAJGLKUKXFEFC-CQSZACIVSA-N 1 3 334.420 0.563 20 0 ECADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000841941690 589006518 /nfs/dbraw/zinc/00/65/18/589006518.db2.gz OPGPGSKNTUQOPU-FUHWJXTLSA-N 1 3 332.448 0.627 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842053255 589010019 /nfs/dbraw/zinc/01/00/19/589010019.db2.gz REBRQRTXISQRMB-VKJFTORMSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000842226304 589022227 /nfs/dbraw/zinc/02/22/27/589022227.db2.gz OADHENSDNLWNIW-INIZCTEOSA-N 1 3 332.448 0.097 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000891355901 586164979 /nfs/dbraw/zinc/16/49/79/586164979.db2.gz BMSNYCRQVPEYSA-HOTGVXAUSA-N 1 3 325.501 0.973 20 0 ECADHO C[C@H](CNC(=O)N1CCCCC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000891603937 586181038 /nfs/dbraw/zinc/18/10/38/586181038.db2.gz TUFDNMQRYAHTAV-CVEARBPZSA-N 1 3 325.501 0.783 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1)N1CCN(C)CC1 ZINC000891752925 586193890 /nfs/dbraw/zinc/19/38/90/586193890.db2.gz PVLXTQCKEIDRMO-SJORKVTESA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](C)C1)N1CCN(C)CC1 ZINC000891752925 586193892 /nfs/dbraw/zinc/19/38/92/586193892.db2.gz PVLXTQCKEIDRMO-SJORKVTESA-N 1 3 339.528 0.899 20 0 ECADHO CN1CCN(CCNC(=O)NC2(C[NH3+])CCCCC2)CC1(C)C ZINC000891880212 586202819 /nfs/dbraw/zinc/20/28/19/586202819.db2.gz CZVGEFAATISAAN-UHFFFAOYSA-N 1 3 325.501 0.973 20 0 ECADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CNCCO1 ZINC000892183721 586228031 /nfs/dbraw/zinc/22/80/31/586228031.db2.gz JYJATHGZSYKKKQ-MRXNPFEDSA-N 1 3 326.485 0.984 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000892229636 586237279 /nfs/dbraw/zinc/23/72/79/586237279.db2.gz ULFPLVKPSBETFM-AWEZNQCLSA-N 1 3 338.427 0.929 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892486266 586269058 /nfs/dbraw/zinc/26/90/58/586269058.db2.gz MLXMEEIQZXMEGA-CQSZACIVSA-N 1 3 341.500 0.426 20 0 ECADHO CN1C[C@H]2[C@@H](CCN2C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000892521729 586271395 /nfs/dbraw/zinc/27/13/95/586271395.db2.gz CKPXBZNPQHLTSD-YJBOKZPZSA-N 1 3 349.523 0.891 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000892789692 586291340 /nfs/dbraw/zinc/29/13/40/586291340.db2.gz RRDPJZUOGGJFCH-ZWKOTPCHSA-N 1 3 343.475 0.390 20 0 ECADHO C[NH+]1CCC(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000893440714 586332361 /nfs/dbraw/zinc/33/23/61/586332361.db2.gz NIGXVYCEFBRZMW-MRXNPFEDSA-N 1 3 345.509 0.455 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900561975 586641962 /nfs/dbraw/zinc/64/19/62/586641962.db2.gz TYSHHJXBWLCWTG-SJORKVTESA-N 1 3 348.491 0.770 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900561975 586641964 /nfs/dbraw/zinc/64/19/64/586641964.db2.gz TYSHHJXBWLCWTG-SJORKVTESA-N 1 3 348.491 0.770 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCCCCC[NH3+])N1CCC[C@H](C)C1 ZINC000843262369 589058317 /nfs/dbraw/zinc/05/83/17/589058317.db2.gz PMMNXTPIEUVMKT-LSDHHAIUSA-N 1 3 326.485 0.858 20 0 ECADHO CN1CCC[C@](O)(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000900760490 586660313 /nfs/dbraw/zinc/66/03/13/586660313.db2.gz WERHETBTZFAZJN-YJBOKZPZSA-N 1 3 339.480 0.450 20 0 ECADHO CN(C)CCn1nccc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000900946374 586675897 /nfs/dbraw/zinc/67/58/97/586675897.db2.gz QPNUVHGDJKAWOM-HNNXBMFYSA-N 1 3 325.482 0.612 20 0 ECADHO CC1(OCC(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)CNC1 ZINC000843329861 589061615 /nfs/dbraw/zinc/06/16/15/589061615.db2.gz OCOLUNQBDFROHB-UHFFFAOYSA-N 1 3 347.415 0.912 20 0 ECADHO O=C(CCOC1CNC1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000843335598 589062278 /nfs/dbraw/zinc/06/22/78/589062278.db2.gz NRJASJMTBRDYRW-CYBMUJFWSA-N 1 3 347.415 0.912 20 0 ECADHO CNC(=O)[C@H](NC(=O)CN(C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843355462 589063553 /nfs/dbraw/zinc/06/35/53/589063553.db2.gz QNMXTLLMSASMBA-VMBOVVBDSA-N 1 3 332.448 0.792 20 0 ECADHO CN(CC(F)(F)F)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509353 586780519 /nfs/dbraw/zinc/78/05/19/586780519.db2.gz GCKURZUFTOYFFB-OKILXGFUSA-N 1 3 348.413 0.908 20 0 ECADHO CN(CC(F)(F)F)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509353 586780520 /nfs/dbraw/zinc/78/05/20/586780520.db2.gz GCKURZUFTOYFFB-OKILXGFUSA-N 1 3 348.413 0.908 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C[C@H]1N ZINC000903774065 586811266 /nfs/dbraw/zinc/81/12/66/586811266.db2.gz WBOJPUUJZAMPRI-CQSZACIVSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790332 586813104 /nfs/dbraw/zinc/81/31/04/586813104.db2.gz CGPKZPCMKIVXAG-KBPBESRZSA-N 1 3 338.496 0.796 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)CC1 ZINC000903775201 586813648 /nfs/dbraw/zinc/81/36/48/586813648.db2.gz BNAPHRIJLAJIPF-AWEZNQCLSA-N 1 3 336.480 0.659 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCC(Cn3cncn3)CC2)cnn1C ZINC000903915088 586823892 /nfs/dbraw/zinc/82/38/92/586823892.db2.gz XZPTVSWJRSLLIA-MRXNPFEDSA-N 1 3 331.468 0.850 20 0 ECADHO Cn1ccnc1[C@@H]1CNCCN1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904350179 586835331 /nfs/dbraw/zinc/83/53/31/586835331.db2.gz HWJTVCDBSMYIDS-HNNXBMFYSA-N 1 3 330.436 0.569 20 0 ECADHO [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CCc2c(F)cc([O-])cc2F)C1 ZINC000904433120 586837785 /nfs/dbraw/zinc/83/77/85/586837785.db2.gz KPQRIFURRBLTFB-LLVKDONJSA-N 1 3 327.375 1.000 20 0 ECADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@@]32CN)CC1 ZINC000904971740 586851834 /nfs/dbraw/zinc/85/18/34/586851834.db2.gz KCOVDIAXKFQMEA-MAUKXSAKSA-N 1 3 336.480 0.517 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@@]43CN)CC[C@H]21 ZINC000904974961 586853045 /nfs/dbraw/zinc/85/30/45/586853045.db2.gz UGBADKGPSFPPQQ-YKTARERQSA-N 1 3 348.491 0.659 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@@]43CN)CC[C@H]21 ZINC000904974961 586853049 /nfs/dbraw/zinc/85/30/49/586853049.db2.gz UGBADKGPSFPPQQ-YKTARERQSA-N 1 3 348.491 0.659 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)C2(O)CCCC2)CC1 ZINC000905104053 586870110 /nfs/dbraw/zinc/87/01/10/586870110.db2.gz DDNNMJQIXKFCFY-OAHLLOKOSA-N 1 3 327.469 0.185 20 0 ECADHO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC000906123169 586933858 /nfs/dbraw/zinc/93/38/58/586933858.db2.gz KDBRUTUNPJTYMK-RDJZCZTQSA-N 1 3 327.469 0.665 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(=O)N1C ZINC000906489041 586950844 /nfs/dbraw/zinc/95/08/44/586950844.db2.gz RMYOXMHMWDHGNJ-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(=O)N1C ZINC000906489041 586950845 /nfs/dbraw/zinc/95/08/45/586950845.db2.gz RMYOXMHMWDHGNJ-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)CCOCCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664131 586963250 /nfs/dbraw/zinc/96/32/50/586963250.db2.gz JJIWYIBCISTJIE-UHFFFAOYSA-N 1 3 336.436 0.513 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC000906696415 586971817 /nfs/dbraw/zinc/97/18/17/586971817.db2.gz FCSAERILTPJTBH-UHFFFAOYSA-N 1 3 345.447 0.375 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817901341 587391268 /nfs/dbraw/zinc/39/12/68/587391268.db2.gz CBABSBDHKATZBD-GXSJLCMTSA-N 1 3 329.388 0.888 20 0 ECADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817920160 587391864 /nfs/dbraw/zinc/39/18/64/587391864.db2.gz CGRBGMNFKGCILY-SFHVURJKSA-N 1 3 343.431 0.085 20 0 ECADHO CON(C)C(=O)CC[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000819111890 587469005 /nfs/dbraw/zinc/46/90/05/587469005.db2.gz YJVFWZKDLXCZTF-UHFFFAOYSA-N 1 3 326.485 0.936 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000822362316 587655560 /nfs/dbraw/zinc/65/55/60/587655560.db2.gz YZWGXUFWVNPPHX-HIFRSBDPSA-N 1 3 348.438 0.936 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)CC[C@H]21 ZINC000867441855 587877725 /nfs/dbraw/zinc/87/77/25/587877725.db2.gz KNCCJWXMXFRTIO-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)CC[C@H]21 ZINC000867441855 587877726 /nfs/dbraw/zinc/87/77/26/587877726.db2.gz KNCCJWXMXFRTIO-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000825701811 587956914 /nfs/dbraw/zinc/95/69/14/587956914.db2.gz FNBRCTMAVFTHFQ-HNNXBMFYSA-N 1 3 339.484 0.480 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)CCCCCC[NH3+])CC1 ZINC000829069583 588314726 /nfs/dbraw/zinc/31/47/26/588314726.db2.gz CQAKHYJQGIRBKP-UHFFFAOYSA-N 1 3 326.485 0.955 20 0 ECADHO CC1(C)CCCN(CCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000849105755 589320395 /nfs/dbraw/zinc/32/03/95/589320395.db2.gz XWKNEWJZAMRSLA-UHFFFAOYSA-N 1 3 325.501 0.945 20 0 ECADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852858063 589518819 /nfs/dbraw/zinc/51/88/19/589518819.db2.gz ONONJWUMLKAXSK-ZFWWWQNUSA-N 1 3 347.463 0.860 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852873320 589521103 /nfs/dbraw/zinc/52/11/03/589521103.db2.gz RNESIKMMFVXXFU-MRXNPFEDSA-N 1 3 345.447 0.866 20 0 ECADHO NC[C@H]1CC(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)=NO1 ZINC000852889093 589522424 /nfs/dbraw/zinc/52/24/24/589522424.db2.gz BPJRQTIKMODKCK-CYBMUJFWSA-N 1 3 347.419 0.013 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000852906726 589524487 /nfs/dbraw/zinc/52/44/87/589524487.db2.gz POLLCDWVXBICNE-DZKIICNBSA-N 1 3 332.404 0.361 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCN1C ZINC000867521977 589798576 /nfs/dbraw/zinc/79/85/76/589798576.db2.gz FYMQVNQFVKQEAD-KLHDSHLOSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCN1C ZINC000867521977 589798579 /nfs/dbraw/zinc/79/85/79/589798579.db2.gz FYMQVNQFVKQEAD-KLHDSHLOSA-N 1 3 336.480 0.480 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)[C@H]1CCN(CC)C1 ZINC000867628507 589817423 /nfs/dbraw/zinc/81/74/23/589817423.db2.gz CHKIXYIEUMQVLN-PMPSAXMXSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)[C@H]1CCN(CC)C1 ZINC000867628507 589817425 /nfs/dbraw/zinc/81/74/25/589817425.db2.gz CHKIXYIEUMQVLN-PMPSAXMXSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000861732817 589883198 /nfs/dbraw/zinc/88/31/98/589883198.db2.gz MBBBPDQLKPKNRS-GDBMZVCRSA-N 1 3 334.464 0.991 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000868305417 589890701 /nfs/dbraw/zinc/89/07/01/589890701.db2.gz ZCERSWAQTNVYLN-JOCQHMNTSA-N 1 3 334.420 0.549 20 0 ECADHO CCN(C(=O)C(F)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(C)C1 ZINC000869238194 589955254 /nfs/dbraw/zinc/95/52/54/589955254.db2.gz FGNNJVYYDXHGCT-ZIAGYGMSSA-N 1 3 342.459 0.430 20 0 ECADHO CCN(C(=O)C(F)C(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C)C1 ZINC000869238194 589955256 /nfs/dbraw/zinc/95/52/56/589955256.db2.gz FGNNJVYYDXHGCT-ZIAGYGMSSA-N 1 3 342.459 0.430 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000863752060 590034178 /nfs/dbraw/zinc/03/41/78/590034178.db2.gz AICHASYBJFSITA-CYBMUJFWSA-N 1 3 338.427 0.522 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863751669 590034221 /nfs/dbraw/zinc/03/42/21/590034221.db2.gz NFJGXRWVFCPCRA-AWEZNQCLSA-N 1 3 334.464 0.902 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000871811755 590088666 /nfs/dbraw/zinc/08/86/66/590088666.db2.gz RMSOCXOXXCPAKB-HNNXBMFYSA-N 1 3 338.477 0.219 20 0 ECADHO [NH3+]C[C@H]1CN(S(=O)(=O)CCCN2CCCC2)C[C@@H]1C(F)(F)F ZINC000871813386 590089090 /nfs/dbraw/zinc/08/90/90/590089090.db2.gz RDMPJDVJUGUODZ-RYUDHWBXSA-N 1 3 343.415 0.871 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN(C)CCCCCC[NH3+])CC1 ZINC000872155075 590099156 /nfs/dbraw/zinc/09/91/56/590099156.db2.gz BNUZWRGYBLCOEN-UHFFFAOYSA-N 1 3 328.457 0.738 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304593 590112852 /nfs/dbraw/zinc/11/28/52/590112852.db2.gz ZBILPBUYBXQMKZ-YJNKXOJESA-N 1 3 336.436 0.254 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1COc2ccc(O)cc2O1 ZINC000865177837 590130003 /nfs/dbraw/zinc/13/00/03/590130003.db2.gz MNTKNXYEHGSVME-INIZCTEOSA-N 1 3 337.420 0.484 20 0 ECADHO NS(=O)(=O)C[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204871 590186316 /nfs/dbraw/zinc/18/63/16/590186316.db2.gz KBWUKZNKRPGOMQ-NSHDSACASA-N 1 3 329.491 0.894 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874823074 590252862 /nfs/dbraw/zinc/25/28/62/590252862.db2.gz MXUMUFPJDKYGTL-HZPDHXFCSA-N 1 3 327.469 0.666 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874823074 590252863 /nfs/dbraw/zinc/25/28/63/590252863.db2.gz MXUMUFPJDKYGTL-HZPDHXFCSA-N 1 3 327.469 0.666 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875112093 590272550 /nfs/dbraw/zinc/27/25/50/590272550.db2.gz DFOBZDQBEFSTOL-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CCN1C ZINC000875207475 590281836 /nfs/dbraw/zinc/28/18/36/590281836.db2.gz AUNBBDQKXHOITF-GBRKPNRJSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880258285 590379410 /nfs/dbraw/zinc/37/94/10/590379410.db2.gz FBIVKRFGHDHRLJ-BEFAXECRSA-N 1 3 340.427 0.965 20 0 ECADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN(C)C[C@H]1CN ZINC000876542831 590385939 /nfs/dbraw/zinc/38/59/39/590385939.db2.gz WMHVKZHJJDXXBP-CYBMUJFWSA-N 1 3 337.493 0.633 20 0 ECADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000876743440 590407342 /nfs/dbraw/zinc/40/73/42/590407342.db2.gz CMVSIWVBDWQABH-PMPSAXMXSA-N 1 3 347.463 0.709 20 0 ECADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000880949453 590427137 /nfs/dbraw/zinc/42/71/37/590427137.db2.gz FWTOZNIHLWVCMU-JKSUJKDBSA-N 1 3 341.496 0.741 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876962034 590430106 /nfs/dbraw/zinc/43/01/06/590430106.db2.gz YRAQFGYPKMWHIK-IXDOHACOSA-N 1 3 335.423 0.817 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)/C=C/[C@@H]3CCC[NH2+]C3)c2)nn1 ZINC000877206554 590444899 /nfs/dbraw/zinc/44/48/99/590444899.db2.gz KFFAJZYZWFQZQT-UZYOAWRESA-N 1 3 340.431 0.898 20 0 ECADHO CN1CCC(NC(=O)Cn2cc(-c3ccc(C[NH3+])cc3)nn2)CC1 ZINC000881330041 590447276 /nfs/dbraw/zinc/44/72/76/590447276.db2.gz KFZFJLKWAKTODD-UHFFFAOYSA-N 1 3 328.420 0.614 20 0 ECADHO COc1ccc([C@@H]2CN(C(=O)CNC[C@@H]3CCCO3)C[C@H]2[NH3+])cc1 ZINC000877235470 590447369 /nfs/dbraw/zinc/44/73/69/590447369.db2.gz ISKDNTUFDBQESV-YESZJQIVSA-N 1 3 333.432 0.717 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1=O ZINC000877393473 590463107 /nfs/dbraw/zinc/46/31/07/590463107.db2.gz YEDOMHNSKXEXOD-OAFZBRQQSA-N 1 3 348.491 0.720 20 0 ECADHO CS[C@@H]1CN(CC(=O)NC2CCN(C)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000878429715 590521021 /nfs/dbraw/zinc/52/10/21/590521021.db2.gz NGUXZXROMLNEGB-JKSUJKDBSA-N 1 3 340.537 0.708 20 0 ECADHO CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865048 590548248 /nfs/dbraw/zinc/54/82/48/590548248.db2.gz DHXMATFKZIGDNN-UONOGXRCSA-N 1 3 338.385 0.959 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCN1c1ccncc1 ZINC000883641367 590638246 /nfs/dbraw/zinc/63/82/46/590638246.db2.gz NCSSGODGTFMOMM-VNSJNIRKSA-N 1 3 343.431 0.068 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C2(CN)CCCCC2)C1 ZINC000883653867 590644081 /nfs/dbraw/zinc/64/40/81/590644081.db2.gz LYIHIZBSYFMBAI-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C2(CN)CCCCC2)C1 ZINC000883653867 590644084 /nfs/dbraw/zinc/64/40/84/590644084.db2.gz LYIHIZBSYFMBAI-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCNCCC12CCC2 ZINC000883657978 590645003 /nfs/dbraw/zinc/64/50/03/590645003.db2.gz PNQDSKMLKBROOO-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCNCCC12CCC2 ZINC000883657978 590645006 /nfs/dbraw/zinc/64/50/06/590645006.db2.gz PNQDSKMLKBROOO-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885014407 590668964 /nfs/dbraw/zinc/66/89/64/590668964.db2.gz GVRVTPYEYFFMRV-QKPAOTATSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(CC2CC2)C1 ZINC000889333159 590684265 /nfs/dbraw/zinc/68/42/65/590684265.db2.gz UZNWOTJGSGICDC-AWEZNQCLSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(CC2CC2)C1 ZINC000889333159 590684267 /nfs/dbraw/zinc/68/42/67/590684267.db2.gz UZNWOTJGSGICDC-AWEZNQCLSA-N 1 3 339.484 0.480 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885284843 590703454 /nfs/dbraw/zinc/70/34/54/590703454.db2.gz DESWFVOCMIMRTC-ZDUSSCGKSA-N 1 3 346.422 0.290 20 0 ECADHO N[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)c1ccccc1 ZINC000884026729 590706532 /nfs/dbraw/zinc/70/65/32/590706532.db2.gz KMBLXTJYZLYKEI-INIZCTEOSA-N 1 3 325.416 0.921 20 0 ECADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000885893242 590779558 /nfs/dbraw/zinc/77/95/58/590779558.db2.gz MUUGAQJPPWGFPZ-NVXWUHKLSA-N 1 3 325.453 0.203 20 0 ECADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000885893242 590779561 /nfs/dbraw/zinc/77/95/61/590779561.db2.gz MUUGAQJPPWGFPZ-NVXWUHKLSA-N 1 3 325.453 0.203 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C1 ZINC000884576258 590861627 /nfs/dbraw/zinc/86/16/27/590861627.db2.gz CSCNOFDFLYAUMP-OAHLLOKOSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884577534 590862284 /nfs/dbraw/zinc/86/22/84/590862284.db2.gz HJDZBZXKHBUYRI-JONQDZQNSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)[N@H+](C)C1CC1 ZINC000884617904 590873647 /nfs/dbraw/zinc/87/36/47/590873647.db2.gz UPTMVRJQBQCDNQ-CZUORRHYSA-N 1 3 344.459 0.416 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)[N@@H+](C)C1CC1 ZINC000884617904 590873649 /nfs/dbraw/zinc/87/36/49/590873649.db2.gz UPTMVRJQBQCDNQ-CZUORRHYSA-N 1 3 344.459 0.416 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884659019 590885522 /nfs/dbraw/zinc/88/55/22/590885522.db2.gz GKORSQPBEIMXQN-KRWDZBQOSA-N 1 3 346.475 0.665 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884659019 590885527 /nfs/dbraw/zinc/88/55/27/590885527.db2.gz GKORSQPBEIMXQN-KRWDZBQOSA-N 1 3 346.475 0.665 20 0 ECADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCNCCC12CCC2 ZINC000884669973 590887462 /nfs/dbraw/zinc/88/74/62/590887462.db2.gz LSBWZOOTUHPVAN-LSDHHAIUSA-N 1 3 334.464 0.474 20 0 ECADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCNCCC12CCC2 ZINC000884669973 590887464 /nfs/dbraw/zinc/88/74/64/590887464.db2.gz LSBWZOOTUHPVAN-LSDHHAIUSA-N 1 3 334.464 0.474 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884676575 590889845 /nfs/dbraw/zinc/88/98/45/590889845.db2.gz QQJXXOYWPPCDGG-AWEZNQCLSA-N 1 3 333.436 0.235 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884676642 590890115 /nfs/dbraw/zinc/89/01/15/590890115.db2.gz SQWNABLSEYUGME-CQSZACIVSA-N 1 3 333.436 0.235 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000884722478 590909932 /nfs/dbraw/zinc/90/99/32/590909932.db2.gz XDHWANLHAQMIKS-CQSZACIVSA-N 1 3 343.431 0.155 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000884724784 590911527 /nfs/dbraw/zinc/91/15/27/590911527.db2.gz FTBMRVLSBIWCLP-QLFBSQMISA-N 1 3 345.447 0.362 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000884776673 590920140 /nfs/dbraw/zinc/92/01/40/590920140.db2.gz XRKUKVNZXZGOJS-GJZGRUSLSA-N 1 3 336.480 0.849 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCN(C3CCCCC3)C1)C2 ZINC000884782150 590921540 /nfs/dbraw/zinc/92/15/40/590921540.db2.gz BUFFIMKMNOHGKX-QMTMVMCOSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884785653 590922766 /nfs/dbraw/zinc/92/27/66/590922766.db2.gz BRLUMPVYFCAIHW-JYJNAYRXSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000887091558 590942452 /nfs/dbraw/zinc/94/24/52/590942452.db2.gz NZQKLRXDMDMAQY-KDOFPFPSSA-N 1 3 345.447 0.316 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000887087938 590942456 /nfs/dbraw/zinc/94/24/56/590942456.db2.gz DCOGSHWLSFJHPM-NUEKZKHPSA-N 1 3 334.464 0.411 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000887087938 590942457 /nfs/dbraw/zinc/94/24/57/590942457.db2.gz DCOGSHWLSFJHPM-NUEKZKHPSA-N 1 3 334.464 0.411 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000929956594 611371756 /nfs/dbraw/zinc/37/17/56/611371756.db2.gz VFRHELBHIJTGHV-HDMKZQKVSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000929956594 611371760 /nfs/dbraw/zinc/37/17/60/611371760.db2.gz VFRHELBHIJTGHV-HDMKZQKVSA-N 1 3 336.480 0.387 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC[C@@H]2C1 ZINC000946642687 611383451 /nfs/dbraw/zinc/38/34/51/611383451.db2.gz PQHUTZGZSNCXCM-VVLHAWIVSA-N 1 3 348.491 0.659 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC[C@@H]2C1 ZINC000946642687 611383453 /nfs/dbraw/zinc/38/34/53/611383453.db2.gz PQHUTZGZSNCXCM-VVLHAWIVSA-N 1 3 348.491 0.659 20 0 ECADHO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784857 611476644 /nfs/dbraw/zinc/47/66/44/611476644.db2.gz XHJKLSNLPZOKAE-QXSJWSMHSA-N 1 3 338.496 0.761 20 0 ECADHO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784857 611476646 /nfs/dbraw/zinc/47/66/46/611476646.db2.gz XHJKLSNLPZOKAE-QXSJWSMHSA-N 1 3 338.496 0.761 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)C[C@]2(C)C1 ZINC000930958327 611489193 /nfs/dbraw/zinc/48/91/93/611489193.db2.gz VBXGCJZLPYWNRR-JEWRLFTDSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)C[C@]2(C)C1 ZINC000930958327 611489195 /nfs/dbraw/zinc/48/91/95/611489195.db2.gz VBXGCJZLPYWNRR-JEWRLFTDSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000946804089 611492373 /nfs/dbraw/zinc/49/23/73/611492373.db2.gz DWZMTVIGRUMKGY-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000946804089 611492376 /nfs/dbraw/zinc/49/23/76/611492376.db2.gz DWZMTVIGRUMKGY-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO NC(=O)c1cn(CCCC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)nn1 ZINC000925690431 611495270 /nfs/dbraw/zinc/49/52/70/611495270.db2.gz JWWGUFOHIMVLMU-GJZGRUSLSA-N 1 3 334.468 0.915 20 0 ECADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCN1Cc2ccccc2OCC1=O ZINC000925805992 611502266 /nfs/dbraw/zinc/50/22/66/611502266.db2.gz NJVHPCJSFFUQOZ-NUEKZKHPSA-N 1 3 333.432 0.750 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926335132 611536892 /nfs/dbraw/zinc/53/68/92/611536892.db2.gz QDWZZFCJQRINPT-QAPCUYQASA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000931516452 611547448 /nfs/dbraw/zinc/54/74/48/611547448.db2.gz UBCVIAPAGPQFSC-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000931516452 611547449 /nfs/dbraw/zinc/54/74/49/611547449.db2.gz UBCVIAPAGPQFSC-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000948414666 611581953 /nfs/dbraw/zinc/58/19/53/611581953.db2.gz ZDWMUIFGDCBSGE-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000948414666 611581954 /nfs/dbraw/zinc/58/19/54/611581954.db2.gz ZDWMUIFGDCBSGE-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000936908960 608644277 /nfs/dbraw/zinc/64/42/77/608644277.db2.gz DKFMGFJXEJSABL-HUUCEWRRSA-N 1 3 334.464 0.236 20 0 ECADHO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1CN([C@@H]2CCOC2)C1 ZINC000928072306 608671394 /nfs/dbraw/zinc/67/13/94/608671394.db2.gz FZEPHJOPLMJBJR-RBSFLKMASA-N 1 3 325.478 0.403 20 0 ECADHO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C1CN([C@@H]2CCOC2)C1 ZINC000928072306 608671396 /nfs/dbraw/zinc/67/13/96/608671396.db2.gz FZEPHJOPLMJBJR-RBSFLKMASA-N 1 3 325.478 0.403 20 0 ECADHO O=C(N[C@@H]1CCCN2CCSC[C@H]12)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000928072306 608671398 /nfs/dbraw/zinc/67/13/98/608671398.db2.gz FZEPHJOPLMJBJR-RBSFLKMASA-N 1 3 325.478 0.403 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000937486627 608813905 /nfs/dbraw/zinc/81/39/05/608813905.db2.gz ZKMUDYCLJLHVOH-INIZCTEOSA-N 1 3 347.463 0.791 20 0 ECADHO C[C@H](NC[C@]1(O)CCS(=O)(=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926510044 608879626 /nfs/dbraw/zinc/87/96/26/608879626.db2.gz XZHFVWGZQSALDV-XJKSGUPXSA-N 1 3 326.462 0.948 20 0 ECADHO CN1CCC(O)(C[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000925119516 608886860 /nfs/dbraw/zinc/88/68/60/608886860.db2.gz XTNSJRQBRDZPNZ-CQSZACIVSA-N 1 3 343.468 0.669 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000937940844 609410505 /nfs/dbraw/zinc/41/05/05/609410505.db2.gz MEYJYOJGIVSSBY-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000927033729 609489549 /nfs/dbraw/zinc/48/95/49/609489549.db2.gz QBIMGFJYONBTLZ-UKRRQHHQSA-N 1 3 344.477 0.683 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000938195505 609522104 /nfs/dbraw/zinc/52/21/04/609522104.db2.gz IMAXXNHFZZSBTD-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[C@H](C(=O)NC[C@H]2CCN2C)[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928560979 611700805 /nfs/dbraw/zinc/70/08/05/611700805.db2.gz WYQHPRIYPQKQFU-QMHWVQJVSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H]1C[C@H](C(=O)NC[C@H]2CCN2C)[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928560979 611700808 /nfs/dbraw/zinc/70/08/08/611700808.db2.gz WYQHPRIYPQKQFU-QMHWVQJVSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2C)[C@@H](C(=O)NC[C@@H]2CCN2C)C1 ZINC000928560979 611700811 /nfs/dbraw/zinc/70/08/11/611700811.db2.gz WYQHPRIYPQKQFU-QMHWVQJVSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[N@H+]2C)[C@@H](C(=O)NC[C@@H]2CCN2C)C1 ZINC000928560979 611700813 /nfs/dbraw/zinc/70/08/13/611700813.db2.gz WYQHPRIYPQKQFU-QMHWVQJVSA-N 1 3 336.480 0.289 20 0 ECADHO O=C(CNC(=O)C12CCC[NH+](CCC1)C2)NCCN1CCCCC1 ZINC000909312461 609693482 /nfs/dbraw/zinc/69/34/82/609693482.db2.gz JPOVVOZHZOXBGE-UHFFFAOYSA-N 1 3 336.480 0.581 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)Cc1ccccc1 ZINC000910961194 609783437 /nfs/dbraw/zinc/78/34/37/609783437.db2.gz BCJVDGAGGQLNQQ-JKSUJKDBSA-N 1 3 346.475 0.471 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000911160903 609817457 /nfs/dbraw/zinc/81/74/57/609817457.db2.gz GJVFXUVPZGPPSV-SFHVURJKSA-N 1 3 336.480 0.579 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000911214598 609827120 /nfs/dbraw/zinc/82/71/20/609827120.db2.gz IMGUOHNSUUDKEJ-MUIFIZLQSA-N 1 3 342.443 0.470 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000911214598 609827122 /nfs/dbraw/zinc/82/71/22/609827122.db2.gz IMGUOHNSUUDKEJ-MUIFIZLQSA-N 1 3 342.443 0.470 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911257310 609837519 /nfs/dbraw/zinc/83/75/19/609837519.db2.gz GOFDQJIYNCRHJA-KDOFPFPSSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911328347 609849083 /nfs/dbraw/zinc/84/90/83/609849083.db2.gz GCNRUZJEQVYQFA-MAUKXSAKSA-N 1 3 336.480 0.578 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000914177114 609862788 /nfs/dbraw/zinc/86/27/88/609862788.db2.gz ZIOOKXSUUNWDHK-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000914177114 609862790 /nfs/dbraw/zinc/86/27/90/609862790.db2.gz ZIOOKXSUUNWDHK-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911440888 609873202 /nfs/dbraw/zinc/87/32/02/609873202.db2.gz NUURVWUFQDQXAS-YYAJDYIMSA-N 1 3 348.491 0.720 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000938567765 609874941 /nfs/dbraw/zinc/87/49/41/609874941.db2.gz GGXIOXHYKPQGHJ-JKSUJKDBSA-N 1 3 345.447 0.353 20 0 ECADHO Cc1cccc(NCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1 ZINC000911480438 609880653 /nfs/dbraw/zinc/88/06/53/609880653.db2.gz HZFPBOVNULFYBZ-OKILXGFUSA-N 1 3 331.420 0.271 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912375800 609952119 /nfs/dbraw/zinc/95/21/19/609952119.db2.gz ZHHOJJBMLOZXLS-QGZVFWFLSA-N 1 3 327.469 0.572 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912375800 609952121 /nfs/dbraw/zinc/95/21/21/609952121.db2.gz ZHHOJJBMLOZXLS-QGZVFWFLSA-N 1 3 327.469 0.572 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000938768615 609985525 /nfs/dbraw/zinc/98/55/25/609985525.db2.gz MPOBPXCMUAYFHW-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000940424437 610281617 /nfs/dbraw/zinc/28/16/17/610281617.db2.gz SOMMOEZHRMCEBW-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000940424437 610281618 /nfs/dbraw/zinc/28/16/18/610281618.db2.gz SOMMOEZHRMCEBW-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000940622003 610314034 /nfs/dbraw/zinc/31/40/34/610314034.db2.gz IXPRYWHFJHALOO-PMPSAXMXSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)CCN1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941640954 610415966 /nfs/dbraw/zinc/41/59/66/610415966.db2.gz LBAMSQVMURFJJP-UHFFFAOYSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000942433276 610457705 /nfs/dbraw/zinc/45/77/05/610457705.db2.gz YCHCBLQXFQUCSV-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000941929754 610567664 /nfs/dbraw/zinc/56/76/64/610567664.db2.gz AWIMZKAYIZJWMJ-ZIAGYGMSSA-N 1 3 333.436 0.320 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000941929754 610567665 /nfs/dbraw/zinc/56/76/65/610567665.db2.gz AWIMZKAYIZJWMJ-ZIAGYGMSSA-N 1 3 333.436 0.320 20 0 ECADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000942715338 610580277 /nfs/dbraw/zinc/58/02/77/610580277.db2.gz OAKPIUOCMAPOMO-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941408441 610722446 /nfs/dbraw/zinc/72/24/46/610722446.db2.gz GFMXOACLFJALPU-LJQANCHMSA-N 1 3 346.519 0.957 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000944184609 610774522 /nfs/dbraw/zinc/77/45/22/610774522.db2.gz BSQXLAMTWPYBTF-IXDOHACOSA-N 1 3 348.491 0.530 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000943341937 610810032 /nfs/dbraw/zinc/81/00/32/610810032.db2.gz QPSGNMCGDQHKAT-HNNXBMFYSA-N 1 3 347.463 0.791 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000922987458 611190280 /nfs/dbraw/zinc/19/02/80/611190280.db2.gz HAGKJJLSLNWKSC-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C2CCC1(C(N)=O)CC2 ZINC000923199575 611213832 /nfs/dbraw/zinc/21/38/32/611213832.db2.gz UEUHUYBZRXXCMF-CBCUQQMYSA-N 1 3 339.484 0.450 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C2CCC1(C(N)=O)CC2 ZINC000923199575 611213834 /nfs/dbraw/zinc/21/38/34/611213834.db2.gz UEUHUYBZRXXCMF-CBCUQQMYSA-N 1 3 339.484 0.450 20 0 ECADHO CC(C)OCCCNC(=O)C1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923303898 611226804 /nfs/dbraw/zinc/22/68/04/611226804.db2.gz LMDMNGRURQTJKK-JYJNAYRXSA-N 1 3 327.469 0.480 20 0 ECADHO CC(C)OC[C@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923400385 611238132 /nfs/dbraw/zinc/23/81/32/611238132.db2.gz WOEPUNKFFARQAQ-KFWWJZLASA-N 1 3 327.425 0.029 20 0 ECADHO O=C1c2ccccc2C(=O)N1CCOCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515985 611253560 /nfs/dbraw/zinc/25/35/60/611253560.db2.gz PNYFJCIRKNYZQT-LSDHHAIUSA-N 1 3 343.427 0.841 20 0 ECADHO CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C)CC[C@@H]3C2)C1=O ZINC000946517160 611296196 /nfs/dbraw/zinc/29/61/96/611296196.db2.gz AGEYMQFIIJBQFI-TWMKSMIVSA-N 1 3 348.491 0.482 20 0 ECADHO CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C)CC[C@@H]3C2)C1=O ZINC000946517160 611296197 /nfs/dbraw/zinc/29/61/97/611296197.db2.gz AGEYMQFIIJBQFI-TWMKSMIVSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCN1CCCC1=O ZINC000947934286 611746393 /nfs/dbraw/zinc/74/63/93/611746393.db2.gz KFYAUBMRSNNUMF-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO OC[C@@H](O)CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000929424370 611754127 /nfs/dbraw/zinc/75/41/27/611754127.db2.gz PLUZCTCIOYBDTO-IRXDYDNUSA-N 1 3 334.464 0.269 20 0 ECADHO CS(=O)(=O)N1CC(CN2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000929763646 611791574 /nfs/dbraw/zinc/79/15/74/611791574.db2.gz NIGCNEIDXWCMQL-UHFFFAOYSA-N 1 3 345.509 0.455 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000950783501 611907785 /nfs/dbraw/zinc/90/77/85/611907785.db2.gz PNOWWAWJRLFTNG-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950823327 611926204 /nfs/dbraw/zinc/92/62/04/611926204.db2.gz DQKRJIWHYXTKGJ-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000949552614 612030013 /nfs/dbraw/zinc/03/00/13/612030013.db2.gz IBTQBTKJRVGHOT-CQSZACIVSA-N 1 3 333.436 0.259 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000949552614 612030015 /nfs/dbraw/zinc/03/00/15/612030015.db2.gz IBTQBTKJRVGHOT-CQSZACIVSA-N 1 3 333.436 0.259 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000951238319 612096568 /nfs/dbraw/zinc/09/65/68/612096568.db2.gz HEGBOBMKZBJSPG-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000955342476 612467341 /nfs/dbraw/zinc/46/73/41/612467341.db2.gz ZRQDQNDCNQNQPV-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955342476 612467344 /nfs/dbraw/zinc/46/73/44/612467344.db2.gz ZRQDQNDCNQNQPV-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)CN1CCC(C)(C)C1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000955345524 612473585 /nfs/dbraw/zinc/47/35/85/612473585.db2.gz WJJLNOUNVFRZSO-CQSZACIVSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)CN1CCC(C)(C)C1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955345524 612473587 /nfs/dbraw/zinc/47/35/87/612473587.db2.gz WJJLNOUNVFRZSO-CQSZACIVSA-N 1 3 336.480 0.339 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000952610309 612550315 /nfs/dbraw/zinc/55/03/15/612550315.db2.gz CBNZAKGCYMJRJP-IMJJTQAJSA-N 1 3 345.447 0.496 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000952610309 612550316 /nfs/dbraw/zinc/55/03/16/612550316.db2.gz CBNZAKGCYMJRJP-IMJJTQAJSA-N 1 3 345.447 0.496 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000955443887 612590694 /nfs/dbraw/zinc/59/06/94/612590694.db2.gz MHSYRAMMWPBZRK-HOCLYGCPSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000955443887 612590697 /nfs/dbraw/zinc/59/06/97/612590697.db2.gz MHSYRAMMWPBZRK-HOCLYGCPSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954952368 612814674 /nfs/dbraw/zinc/81/46/74/612814674.db2.gz DIFVKJLTSJQNGF-UHFFFAOYSA-N 1 3 336.480 0.626 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC000954952780 612814681 /nfs/dbraw/zinc/81/46/81/612814681.db2.gz NQXJGFGFZYZSQA-HNNXBMFYSA-N 1 3 338.496 0.870 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000955062878 612876534 /nfs/dbraw/zinc/87/65/34/612876534.db2.gz ITGHSEOSXLUNNU-CQSZACIVSA-N 1 3 347.463 0.743 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000955062878 612876536 /nfs/dbraw/zinc/87/65/36/612876536.db2.gz ITGHSEOSXLUNNU-CQSZACIVSA-N 1 3 347.463 0.743 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000955075492 612883840 /nfs/dbraw/zinc/88/38/40/612883840.db2.gz VYHKTISHXZPMKQ-OFQRWUPVSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000955075492 612883842 /nfs/dbraw/zinc/88/38/42/612883842.db2.gz VYHKTISHXZPMKQ-OFQRWUPVSA-N 1 3 336.480 0.480 20 0 ECADHO Cn1cc(CN2CC[C@@H]3CN(c4cc(C[NH3+])ncn4)C[C@@H]3C2)cn1 ZINC001164773938 721107233 /nfs/dbraw/zinc/10/72/33/721107233.db2.gz ZIQZCWPOKPCMLT-CABCVRRESA-N 1 3 327.436 0.627 20 0 ECADHO C[N@H+]([C@H]1CCN(C(=O)c2ccn3cncc3c2)C1)[C@H]1CCCNC1=O ZINC000971871228 735286472 /nfs/dbraw/zinc/28/64/72/735286472.db2.gz CHQFVOOGDRGQEX-HOCLYGCPSA-N 1 3 341.415 0.759 20 0 ECADHO C[N@@H+]([C@H]1CCN(C(=O)c2ccn3cncc3c2)C1)[C@H]1CCCNC1=O ZINC000971871228 735286476 /nfs/dbraw/zinc/28/64/76/735286476.db2.gz CHQFVOOGDRGQEX-HOCLYGCPSA-N 1 3 341.415 0.759 20 0 ECADHO O=C(C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(=O)[nH]c1)N1CCC1 ZINC000969135626 731517777 /nfs/dbraw/zinc/51/77/77/731517777.db2.gz CYXWUPZMQWXLHY-HNNXBMFYSA-N 1 3 346.431 0.994 20 0 ECADHO O=C(C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(=O)[nH]c1)N1CCC1 ZINC000969135626 731517778 /nfs/dbraw/zinc/51/77/78/731517778.db2.gz CYXWUPZMQWXLHY-HNNXBMFYSA-N 1 3 346.431 0.994 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)C1 ZINC000969960999 732564869 /nfs/dbraw/zinc/56/48/69/732564869.db2.gz XRPDRWVOXXGYGF-WMLDXEAASA-N 1 3 344.459 0.818 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)CC1 ZINC000970178503 733135380 /nfs/dbraw/zinc/13/53/80/733135380.db2.gz UIQSZXAONSZYFA-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001025121724 738687608 /nfs/dbraw/zinc/68/76/08/738687608.db2.gz GFHWQGLHOZQXTN-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)cc1 ZINC000970271037 733285580 /nfs/dbraw/zinc/28/55/80/733285580.db2.gz WPZXLOBFIKHYNG-SJORKVTESA-N 1 3 344.459 0.831 20 0 ECADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1=O ZINC000970337818 733371445 /nfs/dbraw/zinc/37/14/45/733371445.db2.gz WZKQLOPRQMDKLB-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)CC1 ZINC000970337626 733371517 /nfs/dbraw/zinc/37/15/17/733371517.db2.gz STBASQXERVZISS-CVEARBPZSA-N 1 3 346.479 0.688 20 0 ECADHO CC[C@H](N[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC000970451448 733550237 /nfs/dbraw/zinc/55/02/37/733550237.db2.gz RCTNBXJJWQDVBJ-CVEARBPZSA-N 1 3 336.480 0.563 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001210585013 733868016 /nfs/dbraw/zinc/86/80/16/733868016.db2.gz NYHHKJUOEARCHA-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001210585013 733868021 /nfs/dbraw/zinc/86/80/21/733868021.db2.gz NYHHKJUOEARCHA-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000970720668 733870555 /nfs/dbraw/zinc/87/05/55/733870555.db2.gz YGRJMIRYZKAFSK-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970720358 733870567 /nfs/dbraw/zinc/87/05/67/733870567.db2.gz RCCBUIKPZJCPNZ-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970866980 734026836 /nfs/dbraw/zinc/02/68/36/734026836.db2.gz AMRVAVYTRQNCLP-HIFRSBDPSA-N 1 3 332.448 0.274 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970866980 734026839 /nfs/dbraw/zinc/02/68/39/734026839.db2.gz AMRVAVYTRQNCLP-HIFRSBDPSA-N 1 3 332.448 0.274 20 0 ECADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211286196 734250826 /nfs/dbraw/zinc/25/08/26/734250826.db2.gz UECZIVLKEORAOV-OAHLLOKOSA-N 1 3 347.525 0.732 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001067477638 734288739 /nfs/dbraw/zinc/28/87/39/734288739.db2.gz HGUJUWSPMHGKTG-HOTGVXAUSA-N 1 3 340.512 0.833 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001067477638 734288741 /nfs/dbraw/zinc/28/87/41/734288741.db2.gz HGUJUWSPMHGKTG-HOTGVXAUSA-N 1 3 340.512 0.833 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCc3ccccc3)C[C@H]2O)C1 ZINC001078175795 782432600 /nfs/dbraw/zinc/43/26/00/782432600.db2.gz MOZKMSUIKVQUIF-RCCFBDPRSA-N 1 3 331.460 0.732 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCc3ccccc3)C[C@H]2O)C1 ZINC001078175795 782432606 /nfs/dbraw/zinc/43/26/06/782432606.db2.gz MOZKMSUIKVQUIF-RCCFBDPRSA-N 1 3 331.460 0.732 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1)[NH+](C)C ZINC000971736950 735010237 /nfs/dbraw/zinc/01/02/37/735010237.db2.gz ULXZZNZWWJKLEC-GJZGRUSLSA-N 1 3 339.484 0.131 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972074152 735613761 /nfs/dbraw/zinc/61/37/61/735613761.db2.gz XLEVUJFNTOAXLE-HNNXBMFYSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)CCN3CCCC3=O)C2)C1 ZINC000972334516 735960356 /nfs/dbraw/zinc/96/03/56/735960356.db2.gz HYDCUDIUBQWWFJ-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)CCN3CCCC3=O)C2)C1 ZINC000972334516 735960357 /nfs/dbraw/zinc/96/03/57/735960357.db2.gz HYDCUDIUBQWWFJ-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001023131035 736526416 /nfs/dbraw/zinc/52/64/16/736526416.db2.gz UKKUBPSMCZHWOP-QKPAOTATSA-N 1 3 346.479 0.877 20 0 ECADHO O=C(NC[C@H]1CCCN(CCn2cncn2)C1)C12CC[NH+](CC1)C2 ZINC001023703288 737213650 /nfs/dbraw/zinc/21/36/50/737213650.db2.gz GGBZWTQPKDXHHH-OAHLLOKOSA-N 1 3 332.452 0.202 20 0 ECADHO O=C(NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1)[C@@H]1C[NH+]2CCC1CC2 ZINC001087256896 737410712 /nfs/dbraw/zinc/41/07/12/737410712.db2.gz QFTBVLALBTUYOE-OAHLLOKOSA-N 1 3 345.447 0.640 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)n1 ZINC001087257027 737410996 /nfs/dbraw/zinc/41/09/96/737410996.db2.gz WQSHPAFQGMXHGQ-TZMCWYRMSA-N 1 3 333.436 0.782 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)n1 ZINC001087257027 737410998 /nfs/dbraw/zinc/41/09/98/737410998.db2.gz WQSHPAFQGMXHGQ-TZMCWYRMSA-N 1 3 333.436 0.782 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)n1 ZINC001087257852 737414496 /nfs/dbraw/zinc/41/44/96/737414496.db2.gz LGSRYNPPJLQKFZ-ZIAGYGMSSA-N 1 3 333.436 0.925 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)n1 ZINC001087257852 737414497 /nfs/dbraw/zinc/41/44/97/737414497.db2.gz LGSRYNPPJLQKFZ-ZIAGYGMSSA-N 1 3 333.436 0.925 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]Cc3cnnn3C)C2)CCC1 ZINC001024016255 737618470 /nfs/dbraw/zinc/61/84/70/737618470.db2.gz CAAWZHJCLHCXQQ-AWEZNQCLSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067466715 737630309 /nfs/dbraw/zinc/63/03/09/737630309.db2.gz GKSKIFPCVRDYHK-HZPDHXFCSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067466715 737630313 /nfs/dbraw/zinc/63/03/13/737630313.db2.gz GKSKIFPCVRDYHK-HZPDHXFCSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](CNCc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001024120028 737737106 /nfs/dbraw/zinc/73/71/06/737737106.db2.gz JKQYFZVATWLHMO-JYJNAYRXSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](CNCc3cn(C)nn3)C2)CC[N@H+]1C ZINC001024120028 737737110 /nfs/dbraw/zinc/73/71/10/737737110.db2.gz JKQYFZVATWLHMO-JYJNAYRXSA-N 1 3 348.495 0.874 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001024134636 737746095 /nfs/dbraw/zinc/74/60/95/737746095.db2.gz GINUZDBVZDNFBY-CQSZACIVSA-N 1 3 334.468 0.485 20 0 ECADHO O=C(NC[C@@H]1CCCC[N@H+]1CCCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001024561577 738108745 /nfs/dbraw/zinc/10/87/45/738108745.db2.gz SFOPUDLUPUALOK-LPMVOBIJSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(NC[C@@H]1CCCC[N@@H+]1CCCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001024561577 738108748 /nfs/dbraw/zinc/10/87/48/738108748.db2.gz SFOPUDLUPUALOK-LPMVOBIJSA-N 1 3 337.464 0.203 20 0 ECADHO C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001006446803 751392955 /nfs/dbraw/zinc/39/29/55/751392955.db2.gz APKMDEIIAJGVPB-GOEBONIOSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001006451193 751397051 /nfs/dbraw/zinc/39/70/51/751397051.db2.gz APKMDEIIAJGVPB-HOCLYGCPSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006456734 751405413 /nfs/dbraw/zinc/40/54/13/751405413.db2.gz MGVGJQHTROIQSJ-AWEZNQCLSA-N 1 3 348.491 0.530 20 0 ECADHO CCn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)nn1 ZINC001112522934 739837708 /nfs/dbraw/zinc/83/77/08/739837708.db2.gz VBSMADYHOOIHQY-YJBOKZPZSA-N 1 3 348.495 0.968 20 0 ECADHO CC1CC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001025908384 740214702 /nfs/dbraw/zinc/21/47/02/740214702.db2.gz FDDXMBURBDZLOO-QNDZWZHHSA-N 1 3 345.487 0.942 20 0 ECADHO CC1CC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001025908384 740214710 /nfs/dbraw/zinc/21/47/10/740214710.db2.gz FDDXMBURBDZLOO-QNDZWZHHSA-N 1 3 345.487 0.942 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001026044550 740329023 /nfs/dbraw/zinc/32/90/23/740329023.db2.gz PZRBIULZENAOHP-HBRVENNYSA-N 1 3 343.471 0.923 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001026044550 740329026 /nfs/dbraw/zinc/32/90/26/740329026.db2.gz PZRBIULZENAOHP-HBRVENNYSA-N 1 3 343.471 0.923 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026043613 740335923 /nfs/dbraw/zinc/33/59/23/740335923.db2.gz TXAGUUAYRHSWBQ-JSEZXORMSA-N 1 3 344.463 0.154 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026043613 740335926 /nfs/dbraw/zinc/33/59/26/740335926.db2.gz TXAGUUAYRHSWBQ-JSEZXORMSA-N 1 3 344.463 0.154 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)[C@H]2C1)C1CCC1 ZINC001026283172 740741416 /nfs/dbraw/zinc/74/14/16/740741416.db2.gz DAROJNNAXNVYGC-BHYGNILZSA-N 1 3 348.491 0.530 20 0 ECADHO O=C(NC1CCC([NH2+]CCF)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001026531153 741519223 /nfs/dbraw/zinc/51/92/23/741519223.db2.gz VGHNBIULFIVYPU-UZZMVUAXSA-N 1 3 325.428 0.836 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105243085 741543969 /nfs/dbraw/zinc/54/39/69/741543969.db2.gz UPMKSXLDUKFAHY-QGZVFWFLSA-N 1 3 346.479 0.749 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001026735038 741733577 /nfs/dbraw/zinc/73/35/77/741733577.db2.gz YESSUDVTQUOWPF-ZFWWWQNUSA-N 1 3 333.436 0.518 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N(C)C ZINC000974585110 741922114 /nfs/dbraw/zinc/92/21/14/741922114.db2.gz UPLSVYKQIKECGH-BZUAXINKSA-N 1 3 348.491 0.482 20 0 ECADHO Cn1cc(CNC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001027105279 742573388 /nfs/dbraw/zinc/57/33/88/742573388.db2.gz IYKXNGNVHSTVDI-OAHLLOKOSA-N 1 3 334.468 0.485 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]21 ZINC000975209171 742607275 /nfs/dbraw/zinc/60/72/75/742607275.db2.gz CETSYNTWHSHAGF-GVDBMIGSSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]21 ZINC000975209171 742607278 /nfs/dbraw/zinc/60/72/78/742607278.db2.gz CETSYNTWHSHAGF-GVDBMIGSSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)N1CC[C@@H](N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028930965 742893671 /nfs/dbraw/zinc/89/36/71/742893671.db2.gz HTBFJXKDTAKQIB-JKSUJKDBSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC000996996949 743108352 /nfs/dbraw/zinc/10/83/52/743108352.db2.gz CKJLBFBDVLHZIM-GOEBONIOSA-N 1 3 346.479 0.830 20 0 ECADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1=O ZINC000996997720 743110010 /nfs/dbraw/zinc/11/00/10/743110010.db2.gz FYJIIYDMHDTCFN-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005104 743118410 /nfs/dbraw/zinc/11/84/10/743118410.db2.gz CTLOAXMDDGXJLH-BBRMVZONSA-N 1 3 347.463 0.764 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005104 743118412 /nfs/dbraw/zinc/11/84/12/743118412.db2.gz CTLOAXMDDGXJLH-BBRMVZONSA-N 1 3 347.463 0.764 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)nn1 ZINC000997008946 743124745 /nfs/dbraw/zinc/12/47/45/743124745.db2.gz NJAWSUSKDPKINV-CZUORRHYSA-N 1 3 347.463 0.764 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1 ZINC000997008946 743124748 /nfs/dbraw/zinc/12/47/48/743124748.db2.gz NJAWSUSKDPKINV-CZUORRHYSA-N 1 3 347.463 0.764 20 0 ECADHO CC(C)n1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027216678 743192055 /nfs/dbraw/zinc/19/20/55/743192055.db2.gz WKWDLBNDMAYDHX-HUUCEWRRSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)n1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027216678 743192063 /nfs/dbraw/zinc/19/20/63/743192063.db2.gz WKWDLBNDMAYDHX-HUUCEWRRSA-N 1 3 334.468 0.749 20 0 ECADHO COc1coc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC001027218150 743195238 /nfs/dbraw/zinc/19/52/38/743195238.db2.gz YRIRGFOPQDJPGD-CQSZACIVSA-N 1 3 349.431 0.682 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217872 743195559 /nfs/dbraw/zinc/19/55/59/743195559.db2.gz RBLQCAWWLVIUOI-OAHLLOKOSA-N 1 3 334.468 0.640 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001027218176 743196996 /nfs/dbraw/zinc/19/69/96/743196996.db2.gz ZCGAAAWBWSNKLM-JKSUJKDBSA-N 1 3 336.480 0.437 20 0 ECADHO Cc1nccnc1CNC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997189677 743332792 /nfs/dbraw/zinc/33/27/92/743332792.db2.gz UDIMFGJFMACCMA-UHFFFAOYSA-N 1 3 329.448 0.961 20 0 ECADHO COc1ncc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c(C)n1 ZINC000997306269 743468721 /nfs/dbraw/zinc/46/87/21/743468721.db2.gz BFYGHFUZDVUSAO-UHFFFAOYSA-N 1 3 347.463 0.970 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)C1 ZINC001020589942 751853610 /nfs/dbraw/zinc/85/36/10/751853610.db2.gz IGVMDLCWTXNZJU-KCYZZUKISA-N 1 3 348.491 0.718 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1=O ZINC001020590432 751855119 /nfs/dbraw/zinc/85/51/19/751855119.db2.gz WKQFBBNGBVGYTP-BHPKHCPMSA-N 1 3 349.431 0.583 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1=O ZINC001020590432 751855124 /nfs/dbraw/zinc/85/51/24/751855124.db2.gz WKQFBBNGBVGYTP-BHPKHCPMSA-N 1 3 349.431 0.583 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN([C@H]2CCCNC2=O)CC1 ZINC000997835980 743844126 /nfs/dbraw/zinc/84/41/26/743844126.db2.gz FGHLJMGODDOINW-HOCLYGCPSA-N 1 3 348.491 0.578 20 0 ECADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCc3ncnn32)CC1)N(C)C ZINC000997856335 743853986 /nfs/dbraw/zinc/85/39/86/743853986.db2.gz UIDRDVQQESHRLF-JKSUJKDBSA-N 1 3 348.495 0.934 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000998172336 744027423 /nfs/dbraw/zinc/02/74/23/744027423.db2.gz BDFAVXZGKXWRPS-KBPBESRZSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000998172336 744027427 /nfs/dbraw/zinc/02/74/27/744027427.db2.gz BDFAVXZGKXWRPS-KBPBESRZSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000998173986 744028848 /nfs/dbraw/zinc/02/88/48/744028848.db2.gz NVOLFVSCHGXJMM-ILXRZTDVSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000998173986 744028851 /nfs/dbraw/zinc/02/88/51/744028851.db2.gz NVOLFVSCHGXJMM-ILXRZTDVSA-N 1 3 336.480 0.528 20 0 ECADHO COc1nccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000998270782 744089819 /nfs/dbraw/zinc/08/98/19/744089819.db2.gz ZJTGXUNSKMMHLU-UHFFFAOYSA-N 1 3 347.463 0.909 20 0 ECADHO COc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c(C)n1 ZINC000998724454 744299046 /nfs/dbraw/zinc/29/90/46/744299046.db2.gz UEIWGNQTRPWPHC-CVEARBPZSA-N 1 3 347.463 0.968 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC000976871602 744429599 /nfs/dbraw/zinc/42/95/99/744429599.db2.gz QLJYLCMZSYWFQB-AIANPOQGSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC000976871602 744429601 /nfs/dbraw/zinc/42/96/01/744429601.db2.gz QLJYLCMZSYWFQB-AIANPOQGSA-N 1 3 348.491 0.386 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000976935788 744490982 /nfs/dbraw/zinc/49/09/82/744490982.db2.gz WMDFFGOKKIQJBS-QXSJWSMHSA-N 1 3 348.491 0.528 20 0 ECADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1)N(C)C ZINC000982306619 751927454 /nfs/dbraw/zinc/92/74/54/751927454.db2.gz VOXOIEINRXXSQX-DTDBQYNISA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1)N(C)C ZINC000982306619 751927457 /nfs/dbraw/zinc/92/74/57/751927457.db2.gz VOXOIEINRXXSQX-DTDBQYNISA-N 1 3 336.480 0.386 20 0 ECADHO Cn1cc(CN[C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000999171222 744547697 /nfs/dbraw/zinc/54/76/97/744547697.db2.gz UZVJVLAWWPJRLW-IRXDYDNUSA-N 1 3 331.464 0.843 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC000999205960 744565868 /nfs/dbraw/zinc/56/58/68/744565868.db2.gz GXCXRGAXAOJVBR-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC000999205960 744565871 /nfs/dbraw/zinc/56/58/71/744565871.db2.gz GXCXRGAXAOJVBR-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC000999403475 744678979 /nfs/dbraw/zinc/67/89/79/744678979.db2.gz PQEIIFVNFUAZLN-UHFFFAOYSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(CN[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1)N1CCC1 ZINC000999793288 744905980 /nfs/dbraw/zinc/90/59/80/744905980.db2.gz PYTNIROXZKREJW-FUHWJXTLSA-N 1 3 348.491 0.674 20 0 ECADHO CC1(C)CCN(CC(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000999895872 745028696 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348.495 0.874 20 0 ECADHO Cn1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1=O ZINC000977590675 745220647 /nfs/dbraw/zinc/22/06/47/745220647.db2.gz UHFNBGZBSPGZMD-HZPDHXFCSA-N 1 3 346.475 0.664 20 0 ECADHO Cn1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1=O ZINC000977590675 745220651 /nfs/dbraw/zinc/22/06/51/745220651.db2.gz UHFNBGZBSPGZMD-HZPDHXFCSA-N 1 3 346.475 0.664 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001000182759 745318338 /nfs/dbraw/zinc/31/83/38/745318338.db2.gz GFDOEJHYLLNYBU-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001000204646 745345400 /nfs/dbraw/zinc/34/54/00/745345400.db2.gz MNSGDGFWMKVJEW-UHFFFAOYSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H](N[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1)C(N)=O ZINC001000462987 745516917 /nfs/dbraw/zinc/51/69/17/745516917.db2.gz ADSQBKDSPBNQMO-BBRMVZONSA-N 1 3 332.448 0.816 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)[C@H]1CCCN1C)C(=O)C1CC[NH+](C)CC1 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C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC001027651925 746544792 /nfs/dbraw/zinc/54/47/92/746544792.db2.gz OIVVOCNUIOTIIG-QWHCGFSZSA-N 1 3 333.436 0.558 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC001027651925 746544797 /nfs/dbraw/zinc/54/47/97/746544797.db2.gz OIVVOCNUIOTIIG-QWHCGFSZSA-N 1 3 333.436 0.558 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027649973 746550477 /nfs/dbraw/zinc/55/04/77/746550477.db2.gz XIGAKEIGGQCRBR-INIZCTEOSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)C1 ZINC000984804690 746961391 /nfs/dbraw/zinc/96/13/91/746961391.db2.gz PZYFMXLJBWOYKU-VGWMRTNUSA-N 1 3 336.480 0.433 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC000984806551 746962268 /nfs/dbraw/zinc/96/22/68/746962268.db2.gz YSWANJNCSYBOBB-YHUYYLMFSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@@H](N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O 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CC[C@@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000985655274 748816339 /nfs/dbraw/zinc/81/63/39/748816339.db2.gz HTRAJBVSDSILGA-UONOGXRCSA-N 1 3 338.452 0.055 20 0 ECADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000985655274 748816346 /nfs/dbraw/zinc/81/63/46/748816346.db2.gz HTRAJBVSDSILGA-UONOGXRCSA-N 1 3 338.452 0.055 20 0 ECADHO Cn1nccc1CC[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674839 748852642 /nfs/dbraw/zinc/85/26/42/748852642.db2.gz KZZNXPNGRIRSQM-UHFFFAOYSA-N 1 3 330.436 0.851 20 0 ECADHO Cn1nccc1CC[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674839 748852650 /nfs/dbraw/zinc/85/26/50/748852650.db2.gz KZZNXPNGRIRSQM-UHFFFAOYSA-N 1 3 330.436 0.851 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088367887 748922873 /nfs/dbraw/zinc/92/28/73/748922873.db2.gz WDELBASSGMGWAV-CVEARBPZSA-N 1 3 338.496 0.955 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088367887 748922876 /nfs/dbraw/zinc/92/28/76/748922876.db2.gz WDELBASSGMGWAV-CVEARBPZSA-N 1 3 338.496 0.955 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1)[NH+]1CCCC1 ZINC000985800957 749131052 /nfs/dbraw/zinc/13/10/52/749131052.db2.gz YZCLSDBDDBOFQE-GOEBONIOSA-N 1 3 338.496 0.903 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000980398809 749492811 /nfs/dbraw/zinc/49/28/11/749492811.db2.gz ZYMXALLVUOGDQW-HOTGVXAUSA-N 1 3 334.468 0.379 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000980398809 749492815 /nfs/dbraw/zinc/49/28/15/749492815.db2.gz ZYMXALLVUOGDQW-HOTGVXAUSA-N 1 3 334.468 0.379 20 0 ECADHO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351543 749838297 /nfs/dbraw/zinc/83/82/97/749838297.db2.gz CJRDHZAEMBFKAB-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)n1 ZINC000986351529 749838586 /nfs/dbraw/zinc/83/85/86/749838586.db2.gz CGDOZHMUGWJPCX-SUMWQHHRSA-N 1 3 348.495 0.958 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987126710 750512452 /nfs/dbraw/zinc/51/24/52/750512452.db2.gz WMPCKKAWTUHZSS-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000981488196 750739960 /nfs/dbraw/zinc/73/99/60/750739960.db2.gz UZMNXTZGMONMRE-ZIAGYGMSSA-N 1 3 331.424 0.569 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000981541406 750791390 /nfs/dbraw/zinc/79/13/90/750791390.db2.gz KMJXMQKIALDTBZ-GJZGRUSLSA-N 1 3 332.448 0.864 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005995640 750902302 /nfs/dbraw/zinc/90/23/02/750902302.db2.gz IMCSSCKBINDXBX-OAHLLOKOSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005995640 750902303 /nfs/dbraw/zinc/90/23/03/750902303.db2.gz IMCSSCKBINDXBX-OAHLLOKOSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000987835391 751273915 /nfs/dbraw/zinc/27/39/15/751273915.db2.gz LIPNLBBRBCACSY-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001021089971 752530699 /nfs/dbraw/zinc/53/06/99/752530699.db2.gz DRTJQADNRGCXTR-VGWMRTNUSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000988780115 752812710 /nfs/dbraw/zinc/81/27/10/752812710.db2.gz KRMZRZOFNNTMJE-DOMZBBRYSA-N 1 3 333.436 0.400 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000938090084 753035862 /nfs/dbraw/zinc/03/58/62/753035862.db2.gz IHVKUPLKOJRYCL-XHSDSOJGSA-N 1 3 338.496 0.918 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000938090084 753035867 /nfs/dbraw/zinc/03/58/67/753035867.db2.gz IHVKUPLKOJRYCL-XHSDSOJGSA-N 1 3 338.496 0.918 20 0 ECADHO O=C(N[C@H]1CCCN(CCCF)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001007991840 753182779 /nfs/dbraw/zinc/18/27/79/753182779.db2.gz UCBBRLIKEFIWQR-KRIMKBQASA-N 1 3 325.428 0.790 20 0 ECADHO O=C(N[C@H]1CCCN(CCCF)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001007991840 753182785 /nfs/dbraw/zinc/18/27/85/753182785.db2.gz UCBBRLIKEFIWQR-KRIMKBQASA-N 1 3 325.428 0.790 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000982778301 753533086 /nfs/dbraw/zinc/53/30/86/753533086.db2.gz KHHJRGTWJQSEBG-HNNXBMFYSA-N 1 3 334.464 0.143 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)CC1 ZINC001008287448 753550919 /nfs/dbraw/zinc/55/09/19/753550919.db2.gz CKMQNZKMDYWYSP-OAHLLOKOSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@H]1[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000925324605 754346460 /nfs/dbraw/zinc/34/64/60/754346460.db2.gz VSTHPXWJGPUPOD-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO C[C@H]1[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000925324605 754346467 /nfs/dbraw/zinc/34/64/67/754346467.db2.gz VSTHPXWJGPUPOD-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000983018312 754440921 /nfs/dbraw/zinc/44/09/21/754440921.db2.gz GEUASQXPENTIOL-HOCLYGCPSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000983020360 754449343 /nfs/dbraw/zinc/44/93/43/754449343.db2.gz NYYXYZWRBFLPDW-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO COC[C@@H](C)N1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983048259 754505131 /nfs/dbraw/zinc/50/51/31/754505131.db2.gz YBKZPRPSAJWRFX-OAHLLOKOSA-N 1 3 327.469 0.666 20 0 ECADHO Cn1nccc1CCN1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009200448 754643876 /nfs/dbraw/zinc/64/38/76/754643876.db2.gz HDLMPKSMGULNFD-HOTGVXAUSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CCN1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009200448 754643878 /nfs/dbraw/zinc/64/38/78/754643878.db2.gz HDLMPKSMGULNFD-HOTGVXAUSA-N 1 3 333.480 0.885 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC000990027551 754650260 /nfs/dbraw/zinc/65/02/60/754650260.db2.gz VFKMYTARZOYIKJ-VKJFTORMSA-N 1 3 334.464 0.426 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC000990027551 754650264 /nfs/dbraw/zinc/65/02/64/754650264.db2.gz VFKMYTARZOYIKJ-VKJFTORMSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)CN1C(=O)Cc1c[nH]cn1 ZINC001010328327 756008415 /nfs/dbraw/zinc/00/84/15/756008415.db2.gz SZZDIUFUKYDGND-KBPBESRZSA-N 1 3 345.447 0.401 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001010727007 756448914 /nfs/dbraw/zinc/44/89/14/756448914.db2.gz BUWJBEMSJJOEFF-JKSUJKDBSA-N 1 3 334.464 0.093 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC001076569188 756669897 /nfs/dbraw/zinc/66/98/97/756669897.db2.gz MZFNTHYHROTAKO-HRCADAONSA-N 1 3 334.464 0.093 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC001076569188 756669904 /nfs/dbraw/zinc/66/99/04/756669904.db2.gz MZFNTHYHROTAKO-HRCADAONSA-N 1 3 334.464 0.093 20 0 ECADHO CN1CC[C@H](N2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)C1=O ZINC001076605801 756725698 /nfs/dbraw/zinc/72/56/98/756725698.db2.gz UGSJNFVEAJIJOQ-YESZJQIVSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)(C(=O)N1C[C@H](N[C@H]2CCNC2=O)C(C)(C)C1)[NH+]1CCCC1 ZINC000996139347 757019281 /nfs/dbraw/zinc/01/92/81/757019281.db2.gz XWRZEPWMVRQCAE-KBPBESRZSA-N 1 3 336.480 0.576 20 0 ECADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001048814883 757083976 /nfs/dbraw/zinc/08/39/76/757083976.db2.gz FGGCRDPDHLZDDM-LVQVYYBASA-N 1 3 336.480 0.384 20 0 ECADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001048814883 757083983 /nfs/dbraw/zinc/08/39/83/757083983.db2.gz FGGCRDPDHLZDDM-LVQVYYBASA-N 1 3 336.480 0.384 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN([C@@H](C)C(=O)NC)C[C@H]3C2)CC[N@@H+]1C ZINC001048830734 757132415 /nfs/dbraw/zinc/13/24/15/757132415.db2.gz RPESRZJIRVKPPD-ARKGTOAJSA-N 1 3 336.480 0.241 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN([C@@H](C)C(=O)NC)C[C@H]3C2)CC[N@H+]1C ZINC001048830734 757132418 /nfs/dbraw/zinc/13/24/18/757132418.db2.gz RPESRZJIRVKPPD-ARKGTOAJSA-N 1 3 336.480 0.241 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C1)C1CC1 ZINC001048863005 757216226 /nfs/dbraw/zinc/21/62/26/757216226.db2.gz CVSXLWDIMFIQQM-JZXOWHBKSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2C1)C1CC1 ZINC001048863005 757216234 /nfs/dbraw/zinc/21/62/34/757216234.db2.gz CVSXLWDIMFIQQM-JZXOWHBKSA-N 1 3 348.491 0.339 20 0 ECADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001048873074 757247845 /nfs/dbraw/zinc/24/78/45/757247845.db2.gz MVTCBMGDQYWBTE-LVQVYYBASA-N 1 3 336.480 0.386 20 0 ECADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001048873074 757247849 /nfs/dbraw/zinc/24/78/49/757247849.db2.gz MVTCBMGDQYWBTE-LVQVYYBASA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1)N(C)C ZINC001048876432 757262052 /nfs/dbraw/zinc/26/20/52/757262052.db2.gz XWJGIQGEFPNGTO-BBWFWOEESA-N 1 3 333.480 0.860 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1)N(C)C ZINC001048876432 757262060 /nfs/dbraw/zinc/26/20/60/757262060.db2.gz XWJGIQGEFPNGTO-BBWFWOEESA-N 1 3 333.480 0.860 20 0 ECADHO CN(C)C1(C(=O)N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CCC1 ZINC001011262951 757326155 /nfs/dbraw/zinc/32/61/55/757326155.db2.gz ZCPCGFYSVYNKHC-HNNXBMFYSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001011264541 757334685 /nfs/dbraw/zinc/33/46/85/757334685.db2.gz IGPRGNIFUMMLTH-YOEHRIQHSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001011264541 757334696 /nfs/dbraw/zinc/33/46/96/757334696.db2.gz IGPRGNIFUMMLTH-YOEHRIQHSA-N 1 3 336.480 0.482 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)C(C)(C)C2)C1 ZINC000996311186 757338975 /nfs/dbraw/zinc/33/89/75/757338975.db2.gz QMCWCATZMJFQQS-ZIAGYGMSSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC001011267854 757345056 /nfs/dbraw/zinc/34/50/56/757345056.db2.gz RDTBGKBSRHBBOS-HNNXBMFYSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282570 757403739 /nfs/dbraw/zinc/40/37/39/757403739.db2.gz XRHWEBGBCRDNOZ-HOCLYGCPSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282570 757403742 /nfs/dbraw/zinc/40/37/42/757403742.db2.gz XRHWEBGBCRDNOZ-HOCLYGCPSA-N 1 3 336.480 0.339 20 0 ECADHO C[NH+]1CCC(CC(=O)N2C[C@@H](N[C@@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996386046 757514452 /nfs/dbraw/zinc/51/44/52/757514452.db2.gz MFSYXADRSVYLHV-HUUCEWRRSA-N 1 3 336.480 0.433 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048959354 757519115 /nfs/dbraw/zinc/51/91/15/757519115.db2.gz GIJHYEFICHFMGV-VVLHAWIVSA-N 1 3 348.491 0.515 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)cc1 ZINC000996415129 757591142 /nfs/dbraw/zinc/59/11/42/757591142.db2.gz SKSOMTGIIIEYPE-HNNXBMFYSA-N 1 3 332.448 0.674 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001076925731 757640957 /nfs/dbraw/zinc/64/09/57/757640957.db2.gz WUBSNKLARLVGLP-GJZGRUSLSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001076925731 757640961 /nfs/dbraw/zinc/64/09/61/757640961.db2.gz WUBSNKLARLVGLP-GJZGRUSLSA-N 1 3 326.485 0.822 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000996428534 757653619 /nfs/dbraw/zinc/65/36/19/757653619.db2.gz GOVYSFOITIQPPZ-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000996430121 757659432 /nfs/dbraw/zinc/65/94/32/757659432.db2.gz NKAHUHJCRXWDRQ-SWLSCSKDSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001076952403 757719563 /nfs/dbraw/zinc/71/95/63/757719563.db2.gz VJMQVIOKPKSBMX-ZFWWWQNUSA-N 1 3 338.496 0.822 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1 ZINC001051646840 762573033 /nfs/dbraw/zinc/57/30/33/762573033.db2.gz DHLZAVAMHHUVQC-SJORKVTESA-N 1 3 349.479 0.612 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1 ZINC001051646840 762573035 /nfs/dbraw/zinc/57/30/35/762573035.db2.gz DHLZAVAMHHUVQC-SJORKVTESA-N 1 3 349.479 0.612 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057373 757804785 /nfs/dbraw/zinc/80/47/85/757804785.db2.gz PFNMKIZOGHNSST-YHUYYLMFSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057373 757804800 /nfs/dbraw/zinc/80/48/00/757804800.db2.gz PFNMKIZOGHNSST-YHUYYLMFSA-N 1 3 336.480 0.338 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001049060146 757830376 /nfs/dbraw/zinc/83/03/76/757830376.db2.gz NGGPSOHVDYXIEM-VBQJREDUSA-N 1 3 327.444 0.581 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049060146 757830388 /nfs/dbraw/zinc/83/03/88/757830388.db2.gz NGGPSOHVDYXIEM-VBQJREDUSA-N 1 3 327.444 0.581 20 0 ECADHO Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC2)cn1 ZINC000996617371 758254170 /nfs/dbraw/zinc/25/41/70/758254170.db2.gz ALGMNRPCKZTWPH-IAGOWNOFSA-N 1 3 347.463 0.364 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)o1 ZINC001022119431 758301855 /nfs/dbraw/zinc/30/18/55/758301855.db2.gz GBAWLDGVIRMZMO-DLTWYDFYSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)o1 ZINC001022119431 758301865 /nfs/dbraw/zinc/30/18/65/758301865.db2.gz GBAWLDGVIRMZMO-DLTWYDFYSA-N 1 3 348.447 0.891 20 0 ECADHO CN(CC(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1)C1CCC1 ZINC000996671569 758434915 /nfs/dbraw/zinc/43/49/15/758434915.db2.gz HSASHXFYHDOYFV-INIZCTEOSA-N 1 3 346.479 0.830 20 0 ECADHO C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001077183358 758437471 /nfs/dbraw/zinc/43/74/71/758437471.db2.gz IPCRWJSHYKVQDV-CABCVRRESA-N 1 3 338.496 0.681 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)n1 ZINC000996676462 758445779 /nfs/dbraw/zinc/44/57/79/758445779.db2.gz HMWVVOQIGYHKSZ-QGZVFWFLSA-N 1 3 348.495 0.816 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001022360868 758623397 /nfs/dbraw/zinc/62/33/97/758623397.db2.gz JLWFUMKELZLRPA-OKILXGFUSA-N 1 3 332.452 0.663 20 0 ECADHO C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN(C)C1CCC1 ZINC001011834793 758710023 /nfs/dbraw/zinc/71/00/23/758710023.db2.gz GCCTYVIBXTWSMC-GOEBONIOSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001022712680 759027191 /nfs/dbraw/zinc/02/71/91/759027191.db2.gz XOYZDZGATTVGQH-BARDWOONSA-N 1 3 343.493 0.142 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001022719517 759037938 /nfs/dbraw/zinc/03/79/38/759037938.db2.gz LGILCVPPZOWHHS-DEQVHRJGSA-N 1 3 332.452 0.617 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001022719517 759037951 /nfs/dbraw/zinc/03/79/51/759037951.db2.gz LGILCVPPZOWHHS-DEQVHRJGSA-N 1 3 332.452 0.617 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)n[nH]1 ZINC001022719381 759038170 /nfs/dbraw/zinc/03/81/70/759038170.db2.gz KNDBLVAPFUMDGI-MQYQWHSLSA-N 1 3 334.468 0.863 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)n[nH]1 ZINC001022719381 759038178 /nfs/dbraw/zinc/03/81/78/759038178.db2.gz KNDBLVAPFUMDGI-MQYQWHSLSA-N 1 3 334.468 0.863 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001022806827 759128357 /nfs/dbraw/zinc/12/83/57/759128357.db2.gz BIJYYMYZGASJOS-QXSJWSMHSA-N 1 3 336.480 0.717 20 0 ECADHO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001022880328 759241596 /nfs/dbraw/zinc/24/15/96/759241596.db2.gz SINUCTZFNYHQLP-GASCZTMLSA-N 1 3 334.468 0.767 20 0 ECADHO C[C@@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048040320 759870607 /nfs/dbraw/zinc/87/06/07/759870607.db2.gz SBBNUXZWYJDJGX-ZIAGYGMSSA-N 1 3 332.452 0.238 20 0 ECADHO CCn1cc(CN[C@H](C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001048041522 759871037 /nfs/dbraw/zinc/87/10/37/759871037.db2.gz XZSVZXXFSNXXGT-HUUCEWRRSA-N 1 3 346.479 0.720 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001050183934 759894271 /nfs/dbraw/zinc/89/42/71/759894271.db2.gz XIWBRYJNHMFJMA-YESZJQIVSA-N 1 3 346.479 0.543 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001050183934 759894282 /nfs/dbraw/zinc/89/42/82/759894282.db2.gz XIWBRYJNHMFJMA-YESZJQIVSA-N 1 3 346.479 0.543 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](CC[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001050232730 760005142 /nfs/dbraw/zinc/00/51/42/760005142.db2.gz DAEAQVNMVGVOEM-CVEARBPZSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2cnn(C)n2)CC1 ZINC001050366152 760187165 /nfs/dbraw/zinc/18/71/65/760187165.db2.gz PJTZYRKXAIGWCY-ANQUJSFKSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2cnn(C)n2)CC1 ZINC001050366152 760187171 /nfs/dbraw/zinc/18/71/71/760187171.db2.gz PJTZYRKXAIGWCY-ANQUJSFKSA-N 1 3 348.495 0.777 20 0 ECADHO Cn1ncnc1CNC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001050390033 760219937 /nfs/dbraw/zinc/21/99/37/760219937.db2.gz KHNZLVRCKXZHLB-RBSFLKMASA-N 1 3 334.468 0.531 20 0 ECADHO Cn1ncnc1CNC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001050390033 760219946 /nfs/dbraw/zinc/21/99/46/760219946.db2.gz KHNZLVRCKXZHLB-RBSFLKMASA-N 1 3 334.468 0.531 20 0 ECADHO CN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CCCN4C)C3)CC2)C1=O ZINC001050456574 760293324 /nfs/dbraw/zinc/29/33/24/760293324.db2.gz MGBPZVFSHHUEEU-LSDHHAIUSA-N 1 3 334.464 0.236 20 0 ECADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000911488923 760342045 /nfs/dbraw/zinc/34/20/45/760342045.db2.gz LMVVYLWAJGPJAT-XHSDSOJGSA-N 1 3 336.480 0.707 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995799039 760622945 /nfs/dbraw/zinc/62/29/45/760622945.db2.gz QWDBHYIHPJCORL-HOTGVXAUSA-N 1 3 348.495 0.978 20 0 ECADHO CN1CC[C@H](N2CCC3(CN(C(=O)C45CC[NH+](CC4)C5)C3)CC2)C1=O ZINC001050732235 760749886 /nfs/dbraw/zinc/74/98/86/760749886.db2.gz NIVOMVHSXZIOIS-HNNXBMFYSA-N 1 3 346.475 0.237 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)N2CCC2)C1 ZINC001048587242 760758907 /nfs/dbraw/zinc/75/89/07/760758907.db2.gz HENJFVWUROJPAZ-NXOAAHMSSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)N2CCC2)C1 ZINC001048587242 760758915 /nfs/dbraw/zinc/75/89/15/760758915.db2.gz HENJFVWUROJPAZ-NXOAAHMSSA-N 1 3 348.491 0.530 20 0 ECADHO CN(CC(=O)N1C[C@H]([NH2+][C@@H]2CCCNC2=O)C(C)(C)C1)C1CCC1 ZINC000995919440 760777281 /nfs/dbraw/zinc/77/72/81/760777281.db2.gz QWHIHPVJHNLMGJ-CABCVRRESA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050773909 760825204 /nfs/dbraw/zinc/82/52/04/760825204.db2.gz WNWKHFAURPGQRO-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050773911 760825284 /nfs/dbraw/zinc/82/52/84/760825284.db2.gz WNWKHFAURPGQRO-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001127078455 760842256 /nfs/dbraw/zinc/84/22/56/760842256.db2.gz NWHRNOJKQSDOEA-HZPDHXFCSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001127078455 760842269 /nfs/dbraw/zinc/84/22/69/760842269.db2.gz NWHRNOJKQSDOEA-HZPDHXFCSA-N 1 3 336.480 0.718 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050801282 760879326 /nfs/dbraw/zinc/87/93/26/760879326.db2.gz ZIVWYZQTOQKENE-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127081888 761014584 /nfs/dbraw/zinc/01/45/84/761014584.db2.gz FITUKTLPSJNWOS-LSDHHAIUSA-N 1 3 326.485 0.870 20 0 ECADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127081888 761014596 /nfs/dbraw/zinc/01/45/96/761014596.db2.gz FITUKTLPSJNWOS-LSDHHAIUSA-N 1 3 326.485 0.870 20 0 ECADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127081936 761016011 /nfs/dbraw/zinc/01/60/11/761016011.db2.gz GROQDAUEBJMNQR-LSDHHAIUSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127081936 761016020 /nfs/dbraw/zinc/01/60/20/761016020.db2.gz GROQDAUEBJMNQR-LSDHHAIUSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000991476348 761113867 /nfs/dbraw/zinc/11/38/67/761113867.db2.gz CCXZXPUENNAKJB-JKSUJKDBSA-N 1 3 336.480 0.526 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000991476348 761113875 /nfs/dbraw/zinc/11/38/75/761113875.db2.gz CCXZXPUENNAKJB-JKSUJKDBSA-N 1 3 336.480 0.526 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCOCCO ZINC001106255416 768022821 /nfs/dbraw/zinc/02/28/21/768022821.db2.gz QPCZJPZINIJCOF-HUUCEWRRSA-N 1 3 327.469 0.164 20 0 ECADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249869 768017955 /nfs/dbraw/zinc/01/79/55/768017955.db2.gz UCPXHBCTMFWFOZ-FRFSOERESA-N 1 3 338.496 0.535 20 0 ECADHO Cn1nccc1CCN1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014461107 762716480 /nfs/dbraw/zinc/71/64/80/762716480.db2.gz ZMMAVSSAZIYHKQ-NVXWUHKLSA-N 1 3 331.464 0.495 20 0 ECADHO CC[C@H](CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)OC ZINC001014460831 762717178 /nfs/dbraw/zinc/71/71/78/762717178.db2.gz NNUFHOZYZHPGCT-LSDHHAIUSA-N 1 3 337.468 0.674 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CCO2)cn1 ZINC001051751747 762877430 /nfs/dbraw/zinc/87/74/30/762877430.db2.gz YERKLIAQSSRNRM-MRXNPFEDSA-N 1 3 349.479 0.612 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)CN2CCC[C@H]2C)CCO1 ZINC001051825886 763058395 /nfs/dbraw/zinc/05/83/95/763058395.db2.gz XEKKAISLQNWFSV-PBHICJAKSA-N 1 3 349.479 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001046891826 763316639 /nfs/dbraw/zinc/31/66/39/763316639.db2.gz KJBUZBZVXVBAEB-WMLDXEAASA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1)N(C)C ZINC001106313373 768139431 /nfs/dbraw/zinc/13/94/31/768139431.db2.gz YIVFEUBCCSQSOF-DJIMGWMZSA-N 1 3 335.496 0.987 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@H](N3CCN(CC4CC4)CC3)C2)CC1 ZINC001052073966 763778304 /nfs/dbraw/zinc/77/83/04/763778304.db2.gz QLSILFOOXCRLQZ-GOSISDBHSA-N 1 3 334.508 0.957 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NCC(C)C)CC[N@@H+]1C ZINC001127706570 764289674 /nfs/dbraw/zinc/28/96/74/764289674.db2.gz NLQDLYHLACWIDW-SOUVJXGZSA-N 1 3 326.485 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332.448 0.469 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1)N(C)C ZINC001019396932 771247798 /nfs/dbraw/zinc/24/77/98/771247798.db2.gz AZNFHLPEBNPHJD-HOCLYGCPSA-N 1 3 344.463 0.999 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001019441469 771289648 /nfs/dbraw/zinc/28/96/48/771289648.db2.gz MAFLVELZWDKKMN-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001019441469 771289652 /nfs/dbraw/zinc/28/96/52/771289652.db2.gz MAFLVELZWDKKMN-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001019651825 771669009 /nfs/dbraw/zinc/66/90/09/771669009.db2.gz DMPPXWCVEUKRNQ-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001019651825 771669010 /nfs/dbraw/zinc/66/90/10/771669010.db2.gz DMPPXWCVEUKRNQ-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO 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ECADHO CC[C@H](C(=O)N(C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C)N(C)C ZINC001408609370 837457797 /nfs/dbraw/zinc/45/77/97/837457797.db2.gz BEBCBTBAUWUBOX-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C(=O)N(C)CCNC(=O)CC[C@H]1CCC[N@H+]1C)N(C)C ZINC001408609370 837457803 /nfs/dbraw/zinc/45/78/03/837457803.db2.gz BEBCBTBAUWUBOX-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C(=O)N(C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)N(C)C ZINC001408609371 837458618 /nfs/dbraw/zinc/45/86/18/837458618.db2.gz BEBCBTBAUWUBOX-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C(=O)N(C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C)N(C)C ZINC001408609371 837458629 /nfs/dbraw/zinc/45/86/29/837458629.db2.gz BEBCBTBAUWUBOX-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCCS(C)(=O)=O)N(C)C ZINC001266869855 836414782 /nfs/dbraw/zinc/41/47/82/836414782.db2.gz CRILWWUHKZXHCE-LSDHHAIUSA-N 1 3 347.525 0.732 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N2CCC[C@H](C)C2)CC[N@@H+]1C ZINC001267374648 837281597 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ECADHO Cc1nc(C)n(CC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)n1 ZINC001267953025 838852573 /nfs/dbraw/zinc/85/25/73/838852573.db2.gz BZFRGIAXFNEHKJ-CVEARBPZSA-N 1 3 334.468 0.570 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CC1=O ZINC000423981620 282102842 /nfs/dbraw/zinc/10/28/42/282102842.db2.gz TYIHNEZXQNRFPO-BZUAXINKSA-N 1 3 336.480 0.387 20 0 ECADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000427870510 210225931 /nfs/dbraw/zinc/22/59/31/210225931.db2.gz GATKJUQZQLAHOP-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000427870510 210225933 /nfs/dbraw/zinc/22/59/33/210225933.db2.gz GATKJUQZQLAHOP-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418829290 290688283 /nfs/dbraw/zinc/68/82/83/290688283.db2.gz DLKCOEBAZZBJDS-DLBZAZTESA-N 1 3 346.475 0.486 20 0 ECADHO COCC[C@@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000354774236 299122609 /nfs/dbraw/zinc/12/26/09/299122609.db2.gz XGPAHTZUADHSMU-HNNXBMFYSA-N 1 3 342.484 0.242 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)[C@@H]2C1 ZINC000425380637 210047410 /nfs/dbraw/zinc/04/74/10/210047410.db2.gz FEINIMJFKASGEB-MWDXBVQZSA-N 1 3 348.491 0.482 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)[C@@H]2C1 ZINC000425380637 210047413 /nfs/dbraw/zinc/04/74/13/210047413.db2.gz FEINIMJFKASGEB-MWDXBVQZSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)Cc1ccc(N2CCN(C(=O)C3CC[NH2+]CC3)CC2)nc1 ZINC000182167199 234479863 /nfs/dbraw/zinc/47/98/63/234479863.db2.gz GZQKESUQGPZZRP-UHFFFAOYSA-N 1 3 331.464 0.791 20 0 ECADHO CN(C)[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)Cc1ccccc1 ZINC000423306811 209722202 /nfs/dbraw/zinc/72/22/02/209722202.db2.gz MAJASESKFXHMAI-HNNXBMFYSA-N 1 3 330.436 0.530 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000355278674 299229928 /nfs/dbraw/zinc/22/99/28/299229928.db2.gz LDMXPXANBVPBIO-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000355295699 299233114 /nfs/dbraw/zinc/23/31/14/299233114.db2.gz GOBVCMFJAAJDPA-KFWWJZLASA-N 1 3 326.485 0.679 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420428904 209364507 /nfs/dbraw/zinc/36/45/07/209364507.db2.gz LTULRDDLKRHNNY-FZMZJTMJSA-N 1 3 343.497 0.480 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000420423421 209364035 /nfs/dbraw/zinc/36/40/35/209364035.db2.gz OHEHWAGCMDOVFZ-CQSZACIVSA-N 1 3 343.497 0.419 20 0 ECADHO CCC([NH3+])(CC)CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420464475 209372198 /nfs/dbraw/zinc/37/21/98/209372198.db2.gz URJDHESRYOTBMR-UHFFFAOYSA-N 1 3 345.513 0.857 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420144869 209320121 /nfs/dbraw/zinc/32/01/21/209320121.db2.gz NXJKQPIWCDPTFA-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420138062 209317688 /nfs/dbraw/zinc/31/76/88/209317688.db2.gz MFEFISVPCAYJEO-MRXNPFEDSA-N 1 3 334.464 0.499 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000420076058 209298319 /nfs/dbraw/zinc/29/83/19/209298319.db2.gz LEAFVOMHNKRYGP-KRWDZBQOSA-N 1 3 342.443 0.976 20 0 ECADHO CS(=O)(=O)N1CCC[C@@H](CN2CCC(OCCC[NH3+])CC2)C1 ZINC000317638621 201070007 /nfs/dbraw/zinc/07/00/07/201070007.db2.gz XKXDHTHYKAYPDJ-AWEZNQCLSA-N 1 3 333.498 0.488 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000263259820 201207095 /nfs/dbraw/zinc/20/70/95/201207095.db2.gz SEYMQDYGENUWOF-AEFFLSMTSA-N 1 3 346.475 0.867 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000263259820 201207098 /nfs/dbraw/zinc/20/70/98/201207098.db2.gz SEYMQDYGENUWOF-AEFFLSMTSA-N 1 3 346.475 0.867 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419991045 209270639 /nfs/dbraw/zinc/27/06/39/209270639.db2.gz DAQPHKDAZSBJFX-OAHLLOKOSA-N 1 3 342.484 0.062 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000419950068 209258154 /nfs/dbraw/zinc/25/81/54/209258154.db2.gz LZCMKRGXDTUMTO-OAHLLOKOSA-N 1 3 340.512 0.929 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419938584 209254491 /nfs/dbraw/zinc/25/44/91/209254491.db2.gz XEIOUPZUMQNONR-INIZCTEOSA-N 1 3 332.448 0.747 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419901920 209244191 /nfs/dbraw/zinc/24/41/91/209244191.db2.gz VHKCEKXBHFLMFO-KGLIPLIRSA-N 1 3 336.436 0.556 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@H]1C[NH3+] ZINC000419768324 209201246 /nfs/dbraw/zinc/20/12/46/209201246.db2.gz CJDPCLBOQOROEE-KFWWJZLASA-N 1 3 338.496 0.666 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419720525 209186340 /nfs/dbraw/zinc/18/63/40/209186340.db2.gz IBWUVSVESUVXSH-KRWDZBQOSA-N 1 3 344.459 0.621 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCC(C)CC1 ZINC000356468939 299392161 /nfs/dbraw/zinc/39/21/61/299392161.db2.gz ZSGWJOBHOWARRS-ARFHVFGLSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCC(C)CC1 ZINC000356468939 299392163 /nfs/dbraw/zinc/39/21/63/299392163.db2.gz ZSGWJOBHOWARRS-ARFHVFGLSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000263265217 245374802 /nfs/dbraw/zinc/37/48/02/245374802.db2.gz UVVUCTWIUXLCRS-KRWDZBQOSA-N 1 3 346.475 0.301 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000419643730 209155057 /nfs/dbraw/zinc/15/50/57/209155057.db2.gz NMZODNZBZPBOMJ-DLBZAZTESA-N 1 3 344.459 0.432 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419643416 209154928 /nfs/dbraw/zinc/15/49/28/209154928.db2.gz GOVDAGKFAIVDAX-AWEZNQCLSA-N 1 3 334.464 0.958 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000419643731 209154200 /nfs/dbraw/zinc/15/42/00/209154200.db2.gz NMZODNZBZPBOMJ-IAGOWNOFSA-N 1 3 344.459 0.432 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)cc1 ZINC000419575180 209130787 /nfs/dbraw/zinc/13/07/87/209130787.db2.gz AGKJHDOSHUGOPB-STQMWFEESA-N 1 3 332.448 0.921 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@@H]1CCCCN1CC)C1CC[NH2+]CC1 ZINC000419577329 209130544 /nfs/dbraw/zinc/13/05/44/209130544.db2.gz CVTSTZFAPKRFPA-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3C[NH2+]CCCO3)cc2)CC1 ZINC000449712932 211294016 /nfs/dbraw/zinc/29/40/16/211294016.db2.gz VBPAPRQPUGPMGY-GOSISDBHSA-N 1 3 346.475 0.937 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)CC1=O ZINC000444264540 211064839 /nfs/dbraw/zinc/06/48/39/211064839.db2.gz PMHFTHQICVQVFY-XHSDSOJGSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419483516 209106211 /nfs/dbraw/zinc/10/62/11/209106211.db2.gz RTRDGQULFCSHPF-LZWOXQAQSA-N 1 3 338.496 0.714 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419483516 209106212 /nfs/dbraw/zinc/10/62/12/209106212.db2.gz RTRDGQULFCSHPF-LZWOXQAQSA-N 1 3 338.496 0.714 20 0 ECADHO CCO[C@@H]1C[C@](CO)(NCC(=O)NC2CC[NH+](CC)CC2)C1(C)C ZINC000411614538 208123432 /nfs/dbraw/zinc/12/34/32/208123432.db2.gz QUCBSVSQQICJEJ-CRAIPNDOSA-N 1 3 341.496 0.743 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)[C@@H]1C[NH3+] ZINC000423718839 296365008 /nfs/dbraw/zinc/36/50/08/296365008.db2.gz CGWFLOQFRUWYTO-OWCLPIDISA-N 1 3 336.480 0.659 20 0 ECADHO CC[C@H](C(=O)N(CCNC(=O)[C@H](CC)N(C)C)C1CC1)[NH+](C)C ZINC000413319432 208310514 /nfs/dbraw/zinc/31/05/14/208310514.db2.gz DBJZPCAKYVKCEU-LSDHHAIUSA-N 1 3 326.485 0.774 20 0 ECADHO CN(C)C(=O)c1cccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430620256 210390696 /nfs/dbraw/zinc/39/06/96/210390696.db2.gz AXQFJNCOFZKZSK-INIZCTEOSA-N 1 3 332.448 0.675 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)OC ZINC000495581318 255021665 /nfs/dbraw/zinc/02/16/65/255021665.db2.gz AXMBWMQYAXYWKY-AWEZNQCLSA-N 1 3 328.457 0.559 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)OC ZINC000495581318 255021667 /nfs/dbraw/zinc/02/16/67/255021667.db2.gz AXMBWMQYAXYWKY-AWEZNQCLSA-N 1 3 328.457 0.559 20 0 ECADHO [NH3+]CCCCNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419433578 209094115 /nfs/dbraw/zinc/09/41/15/209094115.db2.gz ZPAIFGDZISUZPC-UHFFFAOYSA-N 1 3 332.448 0.406 20 0 ECADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000419429034 209093142 /nfs/dbraw/zinc/09/31/42/209093142.db2.gz UKJATMCQIOCHBW-QGZVFWFLSA-N 1 3 344.459 0.762 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419222356 209030326 /nfs/dbraw/zinc/03/03/26/209030326.db2.gz BRPFLIZROCJWES-XIRDDKMYSA-N 1 3 344.459 0.573 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419198774 209021037 /nfs/dbraw/zinc/02/10/37/209021037.db2.gz CUEWKRMPDCHXAB-ZDUSSCGKSA-N 1 3 336.436 0.049 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000419202244 209021966 /nfs/dbraw/zinc/02/19/66/209021966.db2.gz GRLPBKJVUOALKJ-HNNXBMFYSA-N 1 3 348.447 0.111 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419225514 209032574 /nfs/dbraw/zinc/03/25/74/209032574.db2.gz HHBUITJOSPRODP-VNQPRFMTSA-N 1 3 336.480 0.481 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000419236113 209037826 /nfs/dbraw/zinc/03/78/26/209037826.db2.gz NKYAGKVWXNUVKI-OAHLLOKOSA-N 1 3 326.485 0.857 20 0 ECADHO CCCN(C(=O)C(=O)NCCN1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000419417844 209089366 /nfs/dbraw/zinc/08/93/66/209089366.db2.gz XQNNDLTXYWESEE-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N1CCC(C)CC1 ZINC000419370275 209071706 /nfs/dbraw/zinc/07/17/06/209071706.db2.gz JNXJZNBKUHRMAP-CVEARBPZSA-N 1 3 338.496 0.713 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(Cc2ccccc2)nn1 ZINC000103210807 296634717 /nfs/dbraw/zinc/63/47/17/296634717.db2.gz OENVWKUARBGFFQ-UHFFFAOYSA-N 1 3 344.463 0.892 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)NCCN1CCC([NH+](C)C)CC1)CC2 ZINC000248139069 165170250 /nfs/dbraw/zinc/17/02/50/165170250.db2.gz YBMREHSULFYYSB-SJORKVTESA-N 1 3 337.512 0.891 20 0 ECADHO NC(=O)CC1CCN(C/C=C\C[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000255301704 165209485 /nfs/dbraw/zinc/20/94/85/165209485.db2.gz GOHIGOOVIJIOEG-UPHRSURJSA-N 1 3 336.480 0.717 20 0 ECADHO CN1CCN(c2ncc(CN3CCC4(C3)CC[NH2+]CC4)cn2)CC1 ZINC000261952031 165267566 /nfs/dbraw/zinc/26/75/66/165267566.db2.gz GCFMUDFLQWCIRJ-UHFFFAOYSA-N 1 3 330.480 0.804 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261977466 165270578 /nfs/dbraw/zinc/27/05/78/165270578.db2.gz LWFXBUPIWPJTEV-STQMWFEESA-N 1 3 336.402 0.813 20 0 ECADHO C[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)CN1CCN(C)CC1 ZINC000262763123 165384383 /nfs/dbraw/zinc/38/43/83/165384383.db2.gz LOHBTKILSFKNPO-HZPDHXFCSA-N 1 3 348.495 0.421 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419402336 209081462 /nfs/dbraw/zinc/08/14/62/209081462.db2.gz CHBIXSXESTUJOL-HZSPNIEDSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419402336 209081464 /nfs/dbraw/zinc/08/14/64/209081464.db2.gz CHBIXSXESTUJOL-HZSPNIEDSA-N 1 3 340.468 0.064 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000359462432 299854153 /nfs/dbraw/zinc/85/41/53/299854153.db2.gz WCEHDULSNLDGSD-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000174711044 263150835 /nfs/dbraw/zinc/15/08/35/263150835.db2.gz UIGNMZQLOZGSQE-INIZCTEOSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H](CS(C)(=O)=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000271702153 263324317 /nfs/dbraw/zinc/32/43/17/263324317.db2.gz MTXZIVDUOBLUCP-HNNXBMFYSA-N 1 3 340.493 0.616 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000340200339 437594148 /nfs/dbraw/zinc/59/41/48/437594148.db2.gz ANRAGTGGIJRJAW-HOCLYGCPSA-N 1 3 336.480 0.433 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420049876 276072206 /nfs/dbraw/zinc/07/22/06/276072206.db2.gz YOERLGVKPVMHDY-RDBSUJKOSA-N 1 3 340.468 0.016 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420049876 276072207 /nfs/dbraw/zinc/07/22/07/276072207.db2.gz YOERLGVKPVMHDY-RDBSUJKOSA-N 1 3 340.468 0.016 20 0 ECADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)N(C)C)C1CC1)[NH+](C)C ZINC000360402168 437595761 /nfs/dbraw/zinc/59/57/61/437595761.db2.gz MAGJGQWYBJYYEL-KFWWJZLASA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000360402168 437595764 /nfs/dbraw/zinc/59/57/64/437595764.db2.gz MAGJGQWYBJYYEL-KFWWJZLASA-N 1 3 326.485 0.678 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000418853918 276775638 /nfs/dbraw/zinc/77/56/38/276775638.db2.gz SPFGESCIMDWXNP-JKSUJKDBSA-N 1 3 332.448 0.225 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419018813 277579380 /nfs/dbraw/zinc/57/93/80/277579380.db2.gz CORUFLNHUIQDAS-OXLPJUHDSA-N 1 3 338.496 0.855 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N(C)C1CC1 ZINC000419576347 278267903 /nfs/dbraw/zinc/26/79/03/278267903.db2.gz CCOTUWXHUXUZJL-BBRMVZONSA-N 1 3 336.480 0.576 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419667801 278723179 /nfs/dbraw/zinc/72/31/79/278723179.db2.gz STYGCVJZFOZZBZ-AWEZNQCLSA-N 1 3 326.485 0.858 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000411025041 279033988 /nfs/dbraw/zinc/03/39/88/279033988.db2.gz MBCBSWGARYRLRK-JKSUJKDBSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000411025041 279033990 /nfs/dbraw/zinc/03/39/90/279033990.db2.gz MBCBSWGARYRLRK-JKSUJKDBSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419960063 279037973 /nfs/dbraw/zinc/03/79/73/279037973.db2.gz DZGKRVNUDQGBQJ-GDBMZVCRSA-N 1 3 338.496 0.810 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419960063 279037974 /nfs/dbraw/zinc/03/79/74/279037974.db2.gz DZGKRVNUDQGBQJ-GDBMZVCRSA-N 1 3 338.496 0.810 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000418935626 279126274 /nfs/dbraw/zinc/12/62/74/279126274.db2.gz JTGIJQVDHYHNFH-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000419947764 279135720 /nfs/dbraw/zinc/13/57/20/279135720.db2.gz DIIGUUHUYMSNNW-RBSFLKMASA-N 1 3 326.485 0.855 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417426420 279139218 /nfs/dbraw/zinc/13/92/18/279139218.db2.gz GONIHOVBVBQUQF-HUUCEWRRSA-N 1 3 341.500 0.602 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419778438 279155533 /nfs/dbraw/zinc/15/55/33/279155533.db2.gz LEKNTCZFZUVCKD-UKRRQHHQSA-N 1 3 326.485 0.857 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CC1 ZINC000424530508 279189485 /nfs/dbraw/zinc/18/94/85/279189485.db2.gz VTIGXQCWQRMDMM-AWEZNQCLSA-N 1 3 336.480 0.578 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000104411380 279264530 /nfs/dbraw/zinc/26/45/30/279264530.db2.gz WAMXKEJMXUHDPE-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000104411380 279264532 /nfs/dbraw/zinc/26/45/32/279264532.db2.gz WAMXKEJMXUHDPE-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449748273 279304428 /nfs/dbraw/zinc/30/44/28/279304428.db2.gz BDDJLOJAEBCTIJ-RRFJBIMHSA-N 1 3 336.480 0.576 20 0 ECADHO COC(=O)[C@](C)(O)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000330734101 437601786 /nfs/dbraw/zinc/60/17/86/437601786.db2.gz LDXPPRPILKXXNX-GRDNDAEWSA-N 1 3 328.453 0.732 20 0 ECADHO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[C@@H](N2CCCCC2)C1 ZINC000261636485 280224201 /nfs/dbraw/zinc/22/42/01/280224201.db2.gz HYMKLXRZBQTROJ-OAHLLOKOSA-N 1 3 332.452 0.903 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410464540 289289849 /nfs/dbraw/zinc/28/98/49/289289849.db2.gz DNCLJIHYRBPFKN-CRAIPNDOSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410464540 289289853 /nfs/dbraw/zinc/28/98/53/289289853.db2.gz DNCLJIHYRBPFKN-CRAIPNDOSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000410471466 289290134 /nfs/dbraw/zinc/29/01/34/289290134.db2.gz QHMUSMONQWVNFY-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000410471466 289290137 /nfs/dbraw/zinc/29/01/37/289290137.db2.gz QHMUSMONQWVNFY-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000423166392 289508069 /nfs/dbraw/zinc/50/80/69/289508069.db2.gz CMNIBJVUKAZZRI-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419096453 289574080 /nfs/dbraw/zinc/57/40/80/289574080.db2.gz CMPPCPHFAVFCJA-ARFHVFGLSA-N 1 3 338.496 0.953 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@]3(CC[N@H+](C)C3)C1)CC2 ZINC000410727779 290184811 /nfs/dbraw/zinc/18/48/11/290184811.db2.gz CGDCAGGVZLGDJQ-RVKKMQEKSA-N 1 3 334.464 0.236 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@]3(CC[N@@H+](C)C3)C1)CC2 ZINC000410727779 290184812 /nfs/dbraw/zinc/18/48/12/290184812.db2.gz CGDCAGGVZLGDJQ-RVKKMQEKSA-N 1 3 334.464 0.236 20 0 ECADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H](CN)C1 ZINC000419552118 293723737 /nfs/dbraw/zinc/72/37/37/293723737.db2.gz WUAJCZKSEYSGNM-MELADBBJSA-N 1 3 342.484 0.044 20 0 ECADHO NC[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000420069285 295261913 /nfs/dbraw/zinc/26/19/13/295261913.db2.gz VQNOEKLPZCVLNP-BPUTZDHNSA-N 1 3 334.464 0.315 20 0 ECADHO NC[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000420069285 295261915 /nfs/dbraw/zinc/26/19/15/295261915.db2.gz VQNOEKLPZCVLNP-BPUTZDHNSA-N 1 3 334.464 0.315 20 0 ECADHO CN(C)[C@@]1(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCSC1 ZINC000333299097 297122416 /nfs/dbraw/zinc/12/24/16/297122416.db2.gz ISEWSXYRKDVNFS-GDBMZVCRSA-N 1 3 341.525 0.113 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000333565308 297142044 /nfs/dbraw/zinc/14/20/44/297142044.db2.gz LQDDMEPTOGBHGE-BHYGNILZSA-N 1 3 348.495 0.977 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000333565308 297142045 /nfs/dbraw/zinc/14/20/45/297142045.db2.gz LQDDMEPTOGBHGE-BHYGNILZSA-N 1 3 348.495 0.977 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333890187 297154393 /nfs/dbraw/zinc/15/43/93/297154393.db2.gz YAKVNOSFWBPGDB-LSDHHAIUSA-N 1 3 339.484 0.180 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000339575061 297360772 /nfs/dbraw/zinc/36/07/72/297360772.db2.gz UOOILNYXKIQARH-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000339576277 297361199 /nfs/dbraw/zinc/36/11/99/297361199.db2.gz YOTWRZQYLFVAFG-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CCN1C ZINC000339591670 297362135 /nfs/dbraw/zinc/36/21/35/297362135.db2.gz WWAVCXGOXRJPHS-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339612795 297363865 /nfs/dbraw/zinc/36/38/65/297363865.db2.gz GQGDUAGMHDEPTJ-HNNXBMFYSA-N 1 3 326.485 0.822 20 0 ECADHO CN1CCC(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000339636016 297367638 /nfs/dbraw/zinc/36/76/38/297367638.db2.gz KTEKHNNAHYQPFS-UHFFFAOYSA-N 1 3 332.448 0.575 20 0 ECADHO C[NH+](C)CCOCCN[C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340367613 297478854 /nfs/dbraw/zinc/47/88/54/297478854.db2.gz XNNMRFHKQVWZTO-INIZCTEOSA-N 1 3 341.477 0.879 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000340766153 297537559 /nfs/dbraw/zinc/53/75/59/297537559.db2.gz 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ZINC000362013584 300153116 /nfs/dbraw/zinc/15/31/16/300153116.db2.gz JRDVYUCTZAANHJ-HZPDHXFCSA-N 1 3 325.453 0.513 20 0 ECADHO CCO[C@H]1COCC[C@@H]1NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362013582 300153195 /nfs/dbraw/zinc/15/31/95/300153195.db2.gz JRDVYUCTZAANHJ-HOTGVXAUSA-N 1 3 325.453 0.513 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000362694432 300210865 /nfs/dbraw/zinc/21/08/65/300210865.db2.gz OOSSYFSYXUYOIY-WMZOPIPTSA-N 1 3 345.491 0.908 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000362694432 300210868 /nfs/dbraw/zinc/21/08/68/300210868.db2.gz OOSSYFSYXUYOIY-WMZOPIPTSA-N 1 3 345.491 0.908 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442600188 300219455 /nfs/dbraw/zinc/21/94/55/300219455.db2.gz QLSPBEDREHUUNB-JKSUJKDBSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442600188 300219456 /nfs/dbraw/zinc/21/94/56/300219456.db2.gz QLSPBEDREHUUNB-JKSUJKDBSA-N 1 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/nfs/dbraw/zinc/61/81/60/301618160.db2.gz DCBNEPDRMCGZPL-WMLDXEAASA-N 1 3 327.469 0.746 20 0 ECADHO CC(C)OCC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000515347842 301638021 /nfs/dbraw/zinc/63/80/21/301638021.db2.gz ORVUNGOJSRAHKI-QGZVFWFLSA-N 1 3 343.512 0.549 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000515387010 301640315 /nfs/dbraw/zinc/64/03/15/301640315.db2.gz WAUGBIGGSZOHOU-OVAAFMSASA-N 1 3 336.480 0.622 20 0 ECADHO Cc1ccc(C(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000530880571 302033186 /nfs/dbraw/zinc/03/31/86/302033186.db2.gz FPOCKBDVORHGKY-UHFFFAOYSA-N 1 3 348.491 0.985 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C ZINC000548813329 302328454 /nfs/dbraw/zinc/32/84/54/302328454.db2.gz LVSBVNPRESJYCW-OWCLPIDISA-N 1 3 340.512 0.879 20 0 ECADHO C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000549882993 302342376 /nfs/dbraw/zinc/34/23/76/302342376.db2.gz YRVQISIWKMICQN-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(=O)n(C)n1 ZINC000125551800 436772869 /nfs/dbraw/zinc/77/28/69/436772869.db2.gz TVODCJYGDBIEIY-AWEZNQCLSA-N 1 3 335.452 0.268 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(=O)n(C)n1 ZINC000125551800 436772872 /nfs/dbraw/zinc/77/28/72/436772872.db2.gz TVODCJYGDBIEIY-AWEZNQCLSA-N 1 3 335.452 0.268 20 0 ECADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000246446602 436779601 /nfs/dbraw/zinc/77/96/01/436779601.db2.gz OWCSUBDSSUTAPR-KLHDSHLOSA-N 1 3 347.525 0.793 20 0 ECADHO C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000155342051 436793942 /nfs/dbraw/zinc/79/39/42/436793942.db2.gz ZODSBERRIXHDLI-INIZCTEOSA-N 1 3 338.496 0.959 20 0 ECADHO C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000155342051 436793945 /nfs/dbraw/zinc/79/39/45/436793945.db2.gz ZODSBERRIXHDLI-INIZCTEOSA-N 1 3 338.496 0.959 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)ccc1F ZINC000130618227 436840975 /nfs/dbraw/zinc/84/09/75/436840975.db2.gz POPKGTIVUVBVHY-UHFFFAOYSA-N 1 3 342.390 0.855 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1cnccc1=O ZINC000293082078 436847548 /nfs/dbraw/zinc/84/75/48/436847548.db2.gz OWJQWWPIQOVDON-MRXNPFEDSA-N 1 3 349.479 0.508 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1cnccc1=O ZINC000293082078 436847553 /nfs/dbraw/zinc/84/75/53/436847553.db2.gz OWJQWWPIQOVDON-MRXNPFEDSA-N 1 3 349.479 0.508 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000131735372 436857855 /nfs/dbraw/zinc/85/78/55/436857855.db2.gz UOMCBXBMTCTAKE-WBVHZDCISA-N 1 3 328.501 0.966 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000131735372 436857857 /nfs/dbraw/zinc/85/78/57/436857857.db2.gz UOMCBXBMTCTAKE-WBVHZDCISA-N 1 3 328.501 0.966 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420439581 302805905 /nfs/dbraw/zinc/80/59/05/302805905.db2.gz BFNRUVUDIQYDES-ZIAGYGMSSA-N 1 3 343.497 0.467 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000332086635 437207428 /nfs/dbraw/zinc/20/74/28/437207428.db2.gz HLNMUSDHGHSNFI-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000332086635 437207433 /nfs/dbraw/zinc/20/74/33/437207433.db2.gz HLNMUSDHGHSNFI-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000332579626 437234653 /nfs/dbraw/zinc/23/46/53/437234653.db2.gz AWTAVECXSHDXGE-BZUAXINKSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1C[C@@H](CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC000333127530 437259953 /nfs/dbraw/zinc/25/99/53/437259953.db2.gz JCSQIGBTOXKHAF-OWCLPIDISA-N 1 3 345.509 0.501 20 0 ECADHO O=S(=O)([C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1)N1CCOCC1 ZINC000333482995 437272850 /nfs/dbraw/zinc/27/28/50/437272850.db2.gz CJKKRFVWUCDKRJ-HOTGVXAUSA-N 1 3 345.509 0.503 20 0 ECADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333820557 437290345 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C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185689834 437446844 /nfs/dbraw/zinc/44/68/44/437446844.db2.gz ORHQVFXBTNXHFE-JZXOWHBKSA-N 1 3 325.497 0.922 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000339671526 437489792 /nfs/dbraw/zinc/48/97/92/437489792.db2.gz TXTXUGJWUMLCRE-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000187013527 437490474 /nfs/dbraw/zinc/49/04/74/437490474.db2.gz SXQIBZYINFLLEC-KBPBESRZSA-N 1 3 328.457 0.559 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)NCCN(C)C1CC1)C(C)C ZINC000343286659 437545104 /nfs/dbraw/zinc/54/51/04/437545104.db2.gz NGANKZMPKPOHLI-UHFFFAOYSA-N 1 3 326.485 0.774 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000360172427 437545685 /nfs/dbraw/zinc/54/56/85/437545685.db2.gz SPHMLJXBPSHWRP-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CN(C)CCOCCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000360273982 437572023 /nfs/dbraw/zinc/57/20/23/437572023.db2.gz VTMGFFVOWSKEBF-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CN(C)CCOCCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000360273982 437572028 /nfs/dbraw/zinc/57/20/28/437572028.db2.gz VTMGFFVOWSKEBF-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000343424348 437580471 /nfs/dbraw/zinc/58/04/71/437580471.db2.gz IKTJOBSFUCSEMX-ROUUACIJSA-N 1 3 349.523 0.005 20 0 ECADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000343424348 437580476 /nfs/dbraw/zinc/58/04/76/437580476.db2.gz IKTJOBSFUCSEMX-ROUUACIJSA-N 1 3 349.523 0.005 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343453655 437586839 /nfs/dbraw/zinc/58/68/39/437586839.db2.gz UVYGDMCAUXRJEK-SOLBZPMBSA-N 1 3 349.523 0.891 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360676844 437631985 /nfs/dbraw/zinc/63/19/85/437631985.db2.gz RNDCBBPYWZCYQQ-HNNXBMFYSA-N 1 3 332.514 0.691 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360676844 437631987 /nfs/dbraw/zinc/63/19/87/437631987.db2.gz RNDCBBPYWZCYQQ-HNNXBMFYSA-N 1 3 332.514 0.691 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340476706 437657562 /nfs/dbraw/zinc/65/75/62/437657562.db2.gz AWTGTLVMBGYODP-HLLBOEOZSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340476706 437657566 /nfs/dbraw/zinc/65/75/66/437657566.db2.gz AWTGTLVMBGYODP-HLLBOEOZSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000362950518 437763444 /nfs/dbraw/zinc/76/34/44/437763444.db2.gz DFTMRPXOZOQJCN-ILXRZTDVSA-N 1 3 345.509 0.152 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000362950518 437763446 /nfs/dbraw/zinc/76/34/46/437763446.db2.gz DFTMRPXOZOQJCN-ILXRZTDVSA-N 1 3 345.509 0.152 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)N1CCN(C)CC1 ZINC000340952756 437763501 /nfs/dbraw/zinc/76/35/01/437763501.db2.gz BNMNADFQAZJSCD-MSOLQXFVSA-N 1 3 349.523 0.914 20 0 ECADHO CCN1CC[NH+](CCCCNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000363049261 437767179 /nfs/dbraw/zinc/76/71/79/437767179.db2.gz HDSKEZCWDYDUOH-INIZCTEOSA-N 1 3 326.485 0.241 20 0 ECADHO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)NCCN)c2)CC1 ZINC000415264722 437770218 /nfs/dbraw/zinc/77/02/18/437770218.db2.gz CYVCWFIXFSFKNC-UHFFFAOYSA-N 1 3 332.448 0.974 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000415278104 437772140 /nfs/dbraw/zinc/77/21/40/437772140.db2.gz ZIHREEJPZOJUSG-CQSZACIVSA-N 1 3 348.447 0.824 20 0 ECADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOCCS(C)(=O)=O ZINC000362302917 437730151 /nfs/dbraw/zinc/73/01/51/437730151.db2.gz GNBIKKFRRLYMBP-OWCLPIDISA-N 1 3 348.509 0.527 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOCCS(C)(=O)=O ZINC000362302917 437730154 /nfs/dbraw/zinc/73/01/54/437730154.db2.gz GNBIKKFRRLYMBP-OWCLPIDISA-N 1 3 348.509 0.527 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1)C[NH+]1CCCC1 ZINC000340783322 437732123 /nfs/dbraw/zinc/73/21/23/437732123.db2.gz WCKBDDLQNVOWIV-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000423759437 437825532 /nfs/dbraw/zinc/82/55/32/437825532.db2.gz PDRRHJQMZRFXLT-CABCVRRESA-N 1 3 325.453 0.766 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000341154150 437803664 /nfs/dbraw/zinc/80/36/64/437803664.db2.gz DKMDOVBHASQYFV-HOTGVXAUSA-N 1 3 349.479 0.230 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000341154150 437803667 /nfs/dbraw/zinc/80/36/67/437803667.db2.gz DKMDOVBHASQYFV-HOTGVXAUSA-N 1 3 349.479 0.230 20 0 ECADHO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423712391 437810344 /nfs/dbraw/zinc/81/03/44/437810344.db2.gz OFDOKGOJZFZOQY-HZPDHXFCSA-N 1 3 333.432 1.000 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)CCCO1 ZINC000424019249 437878589 /nfs/dbraw/zinc/87/85/89/437878589.db2.gz JQUWCLCJENKPMG-OAHLLOKOSA-N 1 3 325.453 0.598 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415640247 437835595 /nfs/dbraw/zinc/83/55/95/437835595.db2.gz IKZKXOXVNZUZCZ-AWEZNQCLSA-N 1 3 348.447 0.953 20 0 ECADHO COc1ccc([C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CCCN2C)cc1 ZINC000365331705 437895601 /nfs/dbraw/zinc/89/56/01/437895601.db2.gz PLXYEMWDLPUZDO-CYGHRXIMSA-N 1 3 347.459 0.917 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000371271091 437907449 /nfs/dbraw/zinc/90/74/49/437907449.db2.gz MHABFCAGMALXMG-LSDHHAIUSA-N 1 3 348.495 0.614 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1NCCc2ccccc21 ZINC000357240583 437942689 /nfs/dbraw/zinc/94/26/89/437942689.db2.gz LPGXUCGUBMAKAD-HZPDHXFCSA-N 1 3 330.432 0.248 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)[C@@H](C)C1 ZINC000342070448 437959893 /nfs/dbraw/zinc/95/98/93/437959893.db2.gz FHECSYVAFLGPOD-LZWOXQAQSA-N 1 3 338.496 0.774 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)[C@@H](C)C1 ZINC000342070448 437959895 /nfs/dbraw/zinc/95/98/95/437959895.db2.gz FHECSYVAFLGPOD-LZWOXQAQSA-N 1 3 338.496 0.774 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417385841 438045372 /nfs/dbraw/zinc/04/53/72/438045372.db2.gz MJNRCOXKWPUVTL-MRXNPFEDSA-N 1 3 348.495 0.748 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417428375 438048823 /nfs/dbraw/zinc/04/88/23/438048823.db2.gz KVDMMCOMTIKTCJ-KGLIPLIRSA-N 1 3 327.473 0.212 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000348761631 438094509 /nfs/dbraw/zinc/09/45/09/438094509.db2.gz JHZKHPSEFXAZRV-RDJZCZTQSA-N 1 3 348.491 0.840 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000348761631 438094515 /nfs/dbraw/zinc/09/45/15/438094515.db2.gz JHZKHPSEFXAZRV-RDJZCZTQSA-N 1 3 348.491 0.840 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000417955850 438095354 /nfs/dbraw/zinc/09/53/54/438095354.db2.gz SGBHJYYFPFHBBK-HNNXBMFYSA-N 1 3 335.452 0.915 20 0 ECADHO CC[C@@H]([NH3+])CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417479978 438057343 /nfs/dbraw/zinc/05/73/43/438057343.db2.gz UTYPKSFZAYBXEZ-OAHLLOKOSA-N 1 3 335.452 0.515 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000357971132 438112269 /nfs/dbraw/zinc/11/22/69/438112269.db2.gz FSDKQBSDXZHRQI-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccco1 ZINC000418168276 438113317 /nfs/dbraw/zinc/11/33/17/438113317.db2.gz NYFCUCUBVBBPPO-SOUVJXGZSA-N 1 3 337.468 0.912 20 0 ECADHO COc1ccc([C@H](CNC(=O)COC2C[NH2+]C2)N2CCCC2)cc1 ZINC000430851555 438127989 /nfs/dbraw/zinc/12/79/89/438127989.db2.gz PFFRBFBFJNWQQY-KRWDZBQOSA-N 1 3 333.432 0.937 20 0 ECADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000418198948 438118164 /nfs/dbraw/zinc/11/81/64/438118164.db2.gz WFGPBZAIVBCADS-UONOGXRCSA-N 1 3 335.452 0.914 20 0 ECADHO CCN(CCO)CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000366744444 438119464 /nfs/dbraw/zinc/11/94/64/438119464.db2.gz IUTXPIAXAUNHBU-UHFFFAOYSA-N 1 3 338.456 0.586 20 0 ECADHO O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1NCCc2ccccc21 ZINC000418285468 438122981 /nfs/dbraw/zinc/12/29/81/438122981.db2.gz FTAPUPMNPGHRJL-QGZVFWFLSA-N 1 3 331.464 0.468 20 0 ECADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000418294689 438125561 /nfs/dbraw/zinc/12/55/61/438125561.db2.gz GWDGVJBQLXWCQU-QGZVFWFLSA-N 1 3 349.479 0.502 20 0 ECADHO [NH3+]CCCNC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418310404 438129936 /nfs/dbraw/zinc/12/99/36/438129936.db2.gz JTNLUNYWBYJNGM-GOSISDBHSA-N 1 3 345.491 0.937 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418369238 438135578 /nfs/dbraw/zinc/13/55/78/438135578.db2.gz NNEYBCKKFKSGRF-FUHWJXTLSA-N 1 3 332.448 0.675 20 0 ECADHO C[C@H]([NH3+])C1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000430966286 438136015 /nfs/dbraw/zinc/13/60/15/438136015.db2.gz MZWKQPALPJRICX-HNNXBMFYSA-N 1 3 346.475 0.950 20 0 ECADHO C[NH2+]C[C@@H]1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430955510 438137057 /nfs/dbraw/zinc/13/70/57/438137057.db2.gz AUENDJFFAWQBGF-INIZCTEOSA-N 1 3 331.464 0.662 20 0 ECADHO CC(C)([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418427694 438143464 /nfs/dbraw/zinc/14/34/64/438143464.db2.gz LKNLSEHUEQMYRA-JKSUJKDBSA-N 1 3 334.464 0.906 20 0 ECADHO N[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000418446190 438147356 /nfs/dbraw/zinc/14/73/56/438147356.db2.gz HSWXCPQSJUNUFL-HOTGVXAUSA-N 1 3 347.463 0.716 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)F)CCN1C1CCN(C)CC1 ZINC000418742436 438181089 /nfs/dbraw/zinc/18/10/89/438181089.db2.gz RCRPLPYUGRGDPG-TZMCWYRMSA-N 1 3 347.454 0.779 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C(=O)NCCN(C)C ZINC000418571272 438160427 /nfs/dbraw/zinc/16/04/27/438160427.db2.gz RHQWOROYBZQNIN-ILXRZTDVSA-N 1 3 341.500 0.648 20 0 ECADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCN2CCC1CC2 ZINC000367081658 438163690 /nfs/dbraw/zinc/16/36/90/438163690.db2.gz UNNOSWBRYBTYKW-HNNXBMFYSA-N 1 3 336.480 0.977 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418593409 438164029 /nfs/dbraw/zinc/16/40/29/438164029.db2.gz RPQVQPNYQRXGAX-HUUCEWRRSA-N 1 3 325.501 0.794 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418607202 438166230 /nfs/dbraw/zinc/16/62/30/438166230.db2.gz CNJLJWXVJPPXFC-LSDHHAIUSA-N 1 3 326.485 0.911 20 0 ECADHO COC[C@]1(CNC(=O)NC[C@@H](O)CN2CCC(C)CC2)CCC[NH2+]1 ZINC000418641718 438170636 /nfs/dbraw/zinc/17/06/36/438170636.db2.gz SKUDSTSTYZDIST-NVXWUHKLSA-N 1 3 342.484 0.147 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418851045 438216235 /nfs/dbraw/zinc/21/62/35/438216235.db2.gz OVPNOHXWPIYSLN-INIZCTEOSA-N 1 3 348.491 0.909 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)Cc1ccccc1 ZINC000418854053 438218856 /nfs/dbraw/zinc/21/88/56/438218856.db2.gz SYRWYRJXIMWJTH-APWZRJJASA-N 1 3 346.475 0.473 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)CCCN2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000433116896 438225350 /nfs/dbraw/zinc/22/53/50/438225350.db2.gz NFXDYVLHTSAFKM-HZPDHXFCSA-N 1 3 340.512 0.805 20 0 ECADHO CC(C)[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)N1CCOCC1 ZINC000433117218 438225882 /nfs/dbraw/zinc/22/58/82/438225882.db2.gz OEACLZUFTFDHAB-KRWDZBQOSA-N 1 3 340.512 0.663 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000418873750 438230954 /nfs/dbraw/zinc/23/09/54/438230954.db2.gz YQSJJAXPABLNLU-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000418872600 438231150 /nfs/dbraw/zinc/23/11/50/438231150.db2.gz WXYOIEGXTYGYTE-UKRRQHHQSA-N 1 3 338.496 0.857 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000418879828 438234670 /nfs/dbraw/zinc/23/46/70/438234670.db2.gz UIOWCQBVGLYIFQ-HOTGVXAUSA-N 1 3 332.448 0.096 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358313763 438197756 /nfs/dbraw/zinc/19/77/56/438197756.db2.gz DASZKQWKUMIOOF-UHFFFAOYSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)N1CCCCC1 ZINC000418828098 438202950 /nfs/dbraw/zinc/20/29/50/438202950.db2.gz FIFYXAQJOVLUFC-OAHLLOKOSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418832492 438203997 /nfs/dbraw/zinc/20/39/97/438203997.db2.gz ZHWNMAKVUTYBMP-KXBFYZLASA-N 1 3 346.475 0.868 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418835017 438206899 /nfs/dbraw/zinc/20/68/99/438206899.db2.gz PFFWGPRLQMHVHO-OLZOCXBDSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418946190 438259975 /nfs/dbraw/zinc/25/99/75/438259975.db2.gz MRWCLCUNBAGLRO-GDBMZVCRSA-N 1 3 332.448 0.491 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000418989459 438275775 /nfs/dbraw/zinc/27/57/75/438275775.db2.gz JNGDCSSAUKYKJU-UHFFFAOYSA-N 1 3 346.475 0.870 20 0 ECADHO [NH3+]CCCNC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000419014784 438287107 /nfs/dbraw/zinc/28/71/07/438287107.db2.gz JRXWJGIFQCHPBF-UHFFFAOYSA-N 1 3 332.448 0.754 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419022308 438291143 /nfs/dbraw/zinc/29/11/43/438291143.db2.gz ICNFDDJNRLRKQM-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)N1CCCNCC1 ZINC000419024394 438292741 /nfs/dbraw/zinc/29/27/41/438292741.db2.gz XJIULWHEOGXPQH-UHFFFAOYSA-N 1 3 344.459 0.721 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000419025153 438294302 /nfs/dbraw/zinc/29/43/02/438294302.db2.gz LZNIXBCMGKDOBS-QLFBSQMISA-N 1 3 338.496 0.727 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000419107534 438323827 /nfs/dbraw/zinc/32/38/27/438323827.db2.gz FLRSYHXKVRJXQJ-HNNXBMFYSA-N 1 3 336.480 0.624 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)C1 ZINC000419123831 438332027 /nfs/dbraw/zinc/33/20/27/438332027.db2.gz QFSCULAPPOVXEC-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@H]2CSCCN2)CC1 ZINC000434885527 438332107 /nfs/dbraw/zinc/33/21/07/438332107.db2.gz FOQRBYJIEBPAPP-AWEZNQCLSA-N 1 3 342.509 0.140 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419127023 438334660 /nfs/dbraw/zinc/33/46/60/438334660.db2.gz YYDBEEADXFWRAU-YJBOKZPZSA-N 1 3 338.496 0.873 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419033664 438298952 /nfs/dbraw/zinc/29/89/52/438298952.db2.gz YNNPFLZOPJVXLH-KBUPBQIOSA-N 1 3 326.485 0.583 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419049143 438304743 /nfs/dbraw/zinc/30/47/43/438304743.db2.gz XBQWLFROWVBRLO-KGLIPLIRSA-N 1 3 326.485 0.585 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CN)C(C)(C)C ZINC000419141370 438345864 /nfs/dbraw/zinc/34/58/64/438345864.db2.gz XBKIUJFBVZGORI-KGLIPLIRSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420118750 438388877 /nfs/dbraw/zinc/38/88/77/438388877.db2.gz MTBLYOQGTUEMOJ-PMPSAXMXSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000351860944 438350773 /nfs/dbraw/zinc/35/07/73/438350773.db2.gz JRPAHAGYCKVFLU-HUUCEWRRSA-N 1 3 332.452 0.184 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419433568 438358367 /nfs/dbraw/zinc/35/83/67/438358367.db2.gz ZODCMELTKXJRLZ-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000419431306 438358459 /nfs/dbraw/zinc/35/84/59/438358459.db2.gz XIFGNKOXYZLZHD-CVEARBPZSA-N 1 3 330.432 0.499 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000419555750 438362140 /nfs/dbraw/zinc/36/21/40/438362140.db2.gz HUGDHYCDOUJZQN-YRGRVCCFSA-N 1 3 338.477 0.711 20 0 ECADHO CN(CC(=O)NCc1cccnc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378292829 438371376 /nfs/dbraw/zinc/37/13/76/438371376.db2.gz LCMXVTLOLZIKHG-SFHVURJKSA-N 1 3 345.491 0.798 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419848954 438373743 /nfs/dbraw/zinc/37/37/43/438373743.db2.gz WMYYNSAZDQQNTD-UHFFFAOYSA-N 1 3 338.496 0.827 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000419900258 438377752 /nfs/dbraw/zinc/37/77/52/438377752.db2.gz SBNWCCWYBICYKA-OWCLPIDISA-N 1 3 336.480 0.849 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC2(CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC000368761087 438378150 /nfs/dbraw/zinc/37/81/50/438378150.db2.gz IUAGRIACMLEFAC-HUUCEWRRSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC2(CC[N@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC000368761087 438378154 /nfs/dbraw/zinc/37/81/54/438378154.db2.gz IUAGRIACMLEFAC-HUUCEWRRSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000352097103 438381987 /nfs/dbraw/zinc/38/19/87/438381987.db2.gz NFABNRPFBFYSQD-ZBFHGGJFSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000352097103 438381990 /nfs/dbraw/zinc/38/19/90/438381990.db2.gz NFABNRPFBFYSQD-ZBFHGGJFSA-N 1 3 326.485 0.714 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420096423 438386408 /nfs/dbraw/zinc/38/64/08/438386408.db2.gz INLYUCYAVSYIDV-DAYGRLMNSA-N 1 3 338.496 0.871 20 0 ECADHO O=C(CN1CC[NH2+]CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391010934 438437058 /nfs/dbraw/zinc/43/70/58/438437058.db2.gz KODIZHICSOHPOP-GOSISDBHSA-N 1 3 346.475 0.299 20 0 ECADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000420337718 438399398 /nfs/dbraw/zinc/39/93/98/438399398.db2.gz WYQJJZJTFVEMKL-IXDOHACOSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327528 438399541 /nfs/dbraw/zinc/39/95/41/438399541.db2.gz LMJUKPMDUGRENR-FPCVCCKLSA-N 1 3 336.480 0.420 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000359276769 438400845 /nfs/dbraw/zinc/40/08/45/438400845.db2.gz RKYRBVXZQMFYLG-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000359276769 438400850 /nfs/dbraw/zinc/40/08/50/438400850.db2.gz RKYRBVXZQMFYLG-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1CC1 ZINC000359298293 438408027 /nfs/dbraw/zinc/40/80/27/438408027.db2.gz YRCIBOXOUMDUMH-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1CC1 ZINC000359298293 438408031 /nfs/dbraw/zinc/40/80/31/438408031.db2.gz YRCIBOXOUMDUMH-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000421559165 438492269 /nfs/dbraw/zinc/49/22/69/438492269.db2.gz OEQURUSHJDDAGL-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000421559165 438492271 /nfs/dbraw/zinc/49/22/71/438492271.db2.gz OEQURUSHJDDAGL-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000422874756 438614179 /nfs/dbraw/zinc/61/41/79/438614179.db2.gz BABQABAGYHAPKR-CVEARBPZSA-N 1 3 346.479 0.622 20 0 ECADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000422874756 438614183 /nfs/dbraw/zinc/61/41/83/438614183.db2.gz BABQABAGYHAPKR-CVEARBPZSA-N 1 3 346.479 0.622 20 0 ECADHO CC[NH+]1CCN(CCCCNC(=O)[C@@H](C)N2CCSCC2)CC1 ZINC000442655008 438616100 /nfs/dbraw/zinc/61/61/00/438616100.db2.gz VCYYSZQTWAIGLL-MRXNPFEDSA-N 1 3 342.553 0.958 20 0 ECADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000422916097 438617345 /nfs/dbraw/zinc/61/73/45/438617345.db2.gz ZXYSXUYVYMMGDV-YHUYYLMFSA-N 1 3 327.469 0.759 20 0 ECADHO COCCNS(=O)(=O)c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422933502 438618896 /nfs/dbraw/zinc/61/88/96/438618896.db2.gz HWIBUWGTXCXABO-GOEBONIOSA-N 1 3 341.477 0.828 20 0 ECADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779111 438624200 /nfs/dbraw/zinc/62/42/00/438624200.db2.gz KZCMLZDSGACHAH-GJZGRUSLSA-N 1 3 332.452 0.184 20 0 ECADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779111 438624203 /nfs/dbraw/zinc/62/42/03/438624203.db2.gz KZCMLZDSGACHAH-GJZGRUSLSA-N 1 3 332.452 0.184 20 0 ECADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779111 438624206 /nfs/dbraw/zinc/62/42/06/438624206.db2.gz KZCMLZDSGACHAH-GJZGRUSLSA-N 1 3 332.452 0.184 20 0 ECADHO COC[C@@H](CCC[NH3+])NCCn1cc(Br)ccc1=O ZINC000423147196 438643554 /nfs/dbraw/zinc/64/35/54/438643554.db2.gz RJMQNKRJERZQLT-GFCCVEGCSA-N 1 3 332.242 0.954 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H](C[NH3+])C2)o1 ZINC000423173443 438645816 /nfs/dbraw/zinc/64/58/16/438645816.db2.gz YQIGSASEFLOQRM-CQSZACIVSA-N 1 3 336.436 0.285 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)[C@@H](C)C1 ZINC000410732677 438646736 /nfs/dbraw/zinc/64/67/36/438646736.db2.gz SSCQXOUZFLYXCZ-GOEBONIOSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)[C@@H](C)C1 ZINC000410732677 438646739 /nfs/dbraw/zinc/64/67/39/438646739.db2.gz SSCQXOUZFLYXCZ-GOEBONIOSA-N 1 3 338.496 0.728 20 0 ECADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCN2CC[NH2+]CC2)c1 ZINC000423183891 438647185 /nfs/dbraw/zinc/64/71/85/438647185.db2.gz SFBAUSLBJMADLK-AWEZNQCLSA-N 1 3 340.493 0.541 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000423186517 438647512 /nfs/dbraw/zinc/64/75/12/438647512.db2.gz KDWAZGGAVPZHKX-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423203331 438648137 /nfs/dbraw/zinc/64/81/37/438648137.db2.gz CFUXIHDIDSMIRG-DLBZAZTESA-N 1 3 344.459 0.494 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000423206709 438649214 /nfs/dbraw/zinc/64/92/14/438649214.db2.gz CQVGEMDKBWRIAP-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000423226088 438649975 /nfs/dbraw/zinc/64/99/75/438649975.db2.gz PJGPQISAUSYKFP-MAUKXSAKSA-N 1 3 336.480 0.661 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CC1 ZINC000423224142 438650056 /nfs/dbraw/zinc/65/00/56/438650056.db2.gz IJENAGNPOZAAAR-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000423224975 438650616 /nfs/dbraw/zinc/65/06/16/438650616.db2.gz KSYPLUODGICZAY-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000410753862 438651755 /nfs/dbraw/zinc/65/17/55/438651755.db2.gz LJNGOZUTXQTORO-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000410753862 438651760 /nfs/dbraw/zinc/65/17/60/438651760.db2.gz LJNGOZUTXQTORO-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423374874 438668828 /nfs/dbraw/zinc/66/88/28/438668828.db2.gz UAXNWNXGNYENSG-QGZVFWFLSA-N 1 3 336.436 0.367 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423379749 438669963 /nfs/dbraw/zinc/66/99/63/438669963.db2.gz NDGSOWVFMYKUCN-GDBMZVCRSA-N 1 3 326.485 0.618 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414834490 438718261 /nfs/dbraw/zinc/71/82/61/438718261.db2.gz CFGUMLPQCKKUDL-UHFFFAOYSA-N 1 3 334.420 0.565 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414846512 438718537 /nfs/dbraw/zinc/71/85/37/438718537.db2.gz SWCAEODFANKIRN-MRXNPFEDSA-N 1 3 330.432 0.871 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)C(C)C ZINC000414881381 438719827 /nfs/dbraw/zinc/71/98/27/438719827.db2.gz RGBRTZRYTQIBDH-UHFFFAOYSA-N 1 3 348.447 0.954 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)C(C)C ZINC000414881381 438719831 /nfs/dbraw/zinc/71/98/31/438719831.db2.gz RGBRTZRYTQIBDH-UHFFFAOYSA-N 1 3 348.447 0.954 20 0 ECADHO CCc1cnc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000574819186 438723033 /nfs/dbraw/zinc/72/30/33/438723033.db2.gz IOBGFBAEHIAXGO-UHFFFAOYSA-N 1 3 341.481 0.596 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414960863 438724059 /nfs/dbraw/zinc/72/40/59/438724059.db2.gz UQKHSOBLLXBEKZ-YVEFUNNKSA-N 1 3 342.443 0.870 20 0 ECADHO C[N@H+](C[C@H](O)CN[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000574917241 438727025 /nfs/dbraw/zinc/72/70/25/438727025.db2.gz YSMXHDFGMGPVMZ-RLLQIKCJSA-N 1 3 347.503 0.914 20 0 ECADHO C[N@@H+](C[C@H](O)CN[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000574917241 438727029 /nfs/dbraw/zinc/72/70/29/438727029.db2.gz YSMXHDFGMGPVMZ-RLLQIKCJSA-N 1 3 347.503 0.914 20 0 ECADHO CN(C[C@H](O)C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000574917241 438727030 /nfs/dbraw/zinc/72/70/30/438727030.db2.gz YSMXHDFGMGPVMZ-RLLQIKCJSA-N 1 3 347.503 0.914 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000575073825 438735635 /nfs/dbraw/zinc/73/56/35/438735635.db2.gz XZLHBMHDSZONBE-SJORKVTESA-N 1 3 337.512 0.796 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N(CC[NH3+])Cc2ccccc2)n1 ZINC000415208991 438738352 /nfs/dbraw/zinc/73/83/52/438738352.db2.gz GFNAAKBLOHTTQT-UHFFFAOYSA-N 1 3 330.436 1.438 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000575780103 438754852 /nfs/dbraw/zinc/75/48/52/438754852.db2.gz VVMODDSKZSACGT-WBVHZDCISA-N 1 3 332.448 0.893 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000575780103 438754853 /nfs/dbraw/zinc/75/48/53/438754853.db2.gz VVMODDSKZSACGT-WBVHZDCISA-N 1 3 332.448 0.893 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000575973978 438763489 /nfs/dbraw/zinc/76/34/89/438763489.db2.gz GHALJGPVDQZAGX-XHSDSOJGSA-N 1 3 340.512 0.973 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccs1 ZINC000555724505 438775603 /nfs/dbraw/zinc/77/56/03/438775603.db2.gz WPUOGBYOCXSRBK-UHFFFAOYSA-N 1 3 340.493 0.359 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3COC[C@H]3O)CC2)CC1 ZINC000576291573 438776789 /nfs/dbraw/zinc/77/67/89/438776789.db2.gz LTKVYDVQGFXKNG-HZPDHXFCSA-N 1 3 325.453 0.059 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(OCC2CC2)cn1 ZINC000556568764 438783034 /nfs/dbraw/zinc/78/30/34/438783034.db2.gz SZWWIRGAHVEQKR-UHFFFAOYSA-N 1 3 335.452 0.831 20 0 ECADHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000457680220 438819279 /nfs/dbraw/zinc/81/92/79/438819279.db2.gz BQEZONHGHTYBTK-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000457680220 438819283 /nfs/dbraw/zinc/81/92/83/438819283.db2.gz BQEZONHGHTYBTK-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000577165673 438819629 /nfs/dbraw/zinc/81/96/29/438819629.db2.gz YKOXVQFQXFPHOG-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000577290345 438831763 /nfs/dbraw/zinc/83/17/63/438831763.db2.gz KXJHRGPEAWHVMA-UHFFFAOYSA-N 1 3 336.480 0.485 20 0 ECADHO CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000577290345 438831766 /nfs/dbraw/zinc/83/17/66/438831766.db2.gz KXJHRGPEAWHVMA-UHFFFAOYSA-N 1 3 336.480 0.485 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H]2CCCN2C)CC1 ZINC000577509926 438849062 /nfs/dbraw/zinc/84/90/62/438849062.db2.gz UOBHOJOHLNYVJE-HNNXBMFYSA-N 1 3 339.484 0.370 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000595954146 438898574 /nfs/dbraw/zinc/89/85/74/438898574.db2.gz GRLAQPOTPOOEHD-AWEZNQCLSA-N 1 3 325.453 0.766 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515491519 438872340 /nfs/dbraw/zinc/87/23/40/438872340.db2.gz GYBQSRHQBGIVLA-TWMKSMIVSA-N 1 3 348.491 0.815 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515491519 438872344 /nfs/dbraw/zinc/87/23/44/438872344.db2.gz GYBQSRHQBGIVLA-TWMKSMIVSA-N 1 3 348.491 0.815 20 0 ECADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2NCCc3ccccc32)n1 ZINC000577829089 438875222 /nfs/dbraw/zinc/87/52/22/438875222.db2.gz OWGPAUYDDCFTSZ-MRXNPFEDSA-N 1 3 342.447 1.453 20 0 ECADHO COC(=O)CCN1CCC[C@@H](N2CCC([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000595895587 438879227 /nfs/dbraw/zinc/87/92/27/438879227.db2.gz PRUQUWDXBUYAOR-JKSUJKDBSA-N 1 3 337.464 0.862 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000458448398 438887237 /nfs/dbraw/zinc/88/72/37/438887237.db2.gz SJEXZHRFIWANSZ-IRXDYDNUSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000458448398 438887240 /nfs/dbraw/zinc/88/72/40/438887240.db2.gz SJEXZHRFIWANSZ-IRXDYDNUSA-N 1 3 339.528 0.994 20 0 ECADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000578322470 438914557 /nfs/dbraw/zinc/91/45/57/438914557.db2.gz GBZNVRZXPFGCGJ-INIZCTEOSA-N 1 3 336.480 0.483 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000516649325 438918665 /nfs/dbraw/zinc/91/86/65/438918665.db2.gz IOACAZSOCMTXAG-GOEBONIOSA-N 1 3 330.432 0.187 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000516879080 438932193 /nfs/dbraw/zinc/93/21/93/438932193.db2.gz KZJDZYPUWGTXLT-NVXWUHKLSA-N 1 3 346.475 0.615 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000565254397 438937138 /nfs/dbraw/zinc/93/71/38/438937138.db2.gz NLBYVGQAZDDVBD-LSDHHAIUSA-N 1 3 338.496 0.809 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000459288702 438954162 /nfs/dbraw/zinc/95/41/62/438954162.db2.gz GGSVPLJYMIUJOV-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000459288702 438954169 /nfs/dbraw/zinc/95/41/69/438954169.db2.gz GGSVPLJYMIUJOV-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CN1CCN(CCCCNC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000590951933 438969787 /nfs/dbraw/zinc/96/97/87/438969787.db2.gz XJLJEASRDBCIIP-UHFFFAOYSA-N 1 3 337.512 0.940 20 0 ECADHO COC(=O)C1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000596692447 438989997 /nfs/dbraw/zinc/98/99/97/438989997.db2.gz GNBBJNZLVXDDPK-AWEZNQCLSA-N 1 3 342.484 0.853 20 0 ECADHO COC(=O)C1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000596692447 438989999 /nfs/dbraw/zinc/98/99/99/438989999.db2.gz GNBBJNZLVXDDPK-AWEZNQCLSA-N 1 3 342.484 0.853 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)C1=CCN(C)CC1 ZINC000579227582 438990493 /nfs/dbraw/zinc/99/04/93/438990493.db2.gz RAJWDAKZIJFZQQ-LSDHHAIUSA-N 1 3 348.491 0.744 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000602063280 439005250 /nfs/dbraw/zinc/00/52/50/439005250.db2.gz FONRKHJAFJZOJP-AWEZNQCLSA-N 1 3 325.453 0.720 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000602063280 439005256 /nfs/dbraw/zinc/00/52/56/439005256.db2.gz FONRKHJAFJZOJP-AWEZNQCLSA-N 1 3 325.453 0.720 20 0 ECADHO COCCOC[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000580064328 439059270 /nfs/dbraw/zinc/05/92/70/439059270.db2.gz XFAYAWLDGIVYFB-ZACQAIPSSA-N 1 3 330.469 0.368 20 0 ECADHO COCCOC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000580064328 439059273 /nfs/dbraw/zinc/05/92/73/439059273.db2.gz XFAYAWLDGIVYFB-ZACQAIPSSA-N 1 3 330.469 0.368 20 0 ECADHO CCn1ccnc1CN(C(=O)[C@H](CN)OC)[C@H]1CC12CC[NH2+]CC2 ZINC000579475239 439012336 /nfs/dbraw/zinc/01/23/36/439012336.db2.gz YLNWVHJFXRMDSJ-KBPBESRZSA-N 1 3 335.452 0.347 20 0 ECADHO Cc1c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)nnn1C1CC[NH2+]CC1 ZINC000566188150 439018641 /nfs/dbraw/zinc/01/86/41/439018641.db2.gz UFGJCTKBPCIDHJ-HIFRSBDPSA-N 1 3 332.452 0.677 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000519382664 439030677 /nfs/dbraw/zinc/03/06/77/439030677.db2.gz SNDKRXIQCSYGHB-JONQDZQNSA-N 1 3 336.480 0.515 20 0 ECADHO CN1CCC[C@H](NC(=O)CCCCC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000591829496 439086755 /nfs/dbraw/zinc/08/67/55/439086755.db2.gz RHVXIABTTBZQGA-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCC[C@H](NC(=O)CCCCC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000591829496 439086758 /nfs/dbraw/zinc/08/67/58/439086758.db2.gz RHVXIABTTBZQGA-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000580540855 439101777 /nfs/dbraw/zinc/10/17/77/439101777.db2.gz XKEAOKZVQJBLGI-HUUCEWRRSA-N 1 3 349.483 0.862 20 0 ECADHO COCCN1CC[C@H](NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000521040040 439102860 /nfs/dbraw/zinc/10/28/60/439102860.db2.gz XMIUDPTWHNAPRZ-RDJZCZTQSA-N 1 3 332.448 0.975 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000521010198 439102883 /nfs/dbraw/zinc/10/28/83/439102883.db2.gz QPLPLZOUDOTEDX-HRCADAONSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)CCn1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)n1 ZINC000567060183 439111696 /nfs/dbraw/zinc/11/16/96/439111696.db2.gz QWCOJEHRXDCHHE-UHFFFAOYSA-N 1 3 336.484 0.201 20 0 ECADHO COCCN(C)C[C@@H](O)C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000580208608 439073578 /nfs/dbraw/zinc/07/35/78/439073578.db2.gz HOOIUYXIJRDMHQ-GOSISDBHSA-N 1 3 343.512 0.360 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567180688 439121852 /nfs/dbraw/zinc/12/18/52/439121852.db2.gz QYCMPBQVAGGEOQ-ILXRZTDVSA-N 1 3 337.468 0.060 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567180688 439121855 /nfs/dbraw/zinc/12/18/55/439121855.db2.gz QYCMPBQVAGGEOQ-ILXRZTDVSA-N 1 3 337.468 0.060 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCC3([NH3+])CCCCCC3)C[C@H]2N)cn1 ZINC000567605482 439155841 /nfs/dbraw/zinc/15/58/41/439155841.db2.gz VJFGLTOKBKTSPC-LSDHHAIUSA-N 1 3 334.468 0.908 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000567821589 439180066 /nfs/dbraw/zinc/18/00/66/439180066.db2.gz DOQKKNSDPQOTIJ-OAHLLOKOSA-N 1 3 335.452 0.384 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000567880628 439191199 /nfs/dbraw/zinc/19/11/99/439191199.db2.gz KLUVNZGRRPWZRD-PBHICJAKSA-N 1 3 346.475 0.918 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000567880628 439191205 /nfs/dbraw/zinc/19/12/05/439191205.db2.gz KLUVNZGRRPWZRD-PBHICJAKSA-N 1 3 346.475 0.918 20 0 ECADHO CN1CCN(CCCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000568756764 439274146 /nfs/dbraw/zinc/27/41/46/439274146.db2.gz QACKPMMKBGRGJM-QGZVFWFLSA-N 1 3 348.495 0.565 20 0 ECADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000582011335 439277886 /nfs/dbraw/zinc/27/78/86/439277886.db2.gz YFXATXKBPRUHTN-NJAFHUGGSA-N 1 3 325.497 0.874 20 0 ECADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000582011335 439277894 /nfs/dbraw/zinc/27/78/94/439277894.db2.gz YFXATXKBPRUHTN-NJAFHUGGSA-N 1 3 325.497 0.874 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000568288220 439235395 /nfs/dbraw/zinc/23/53/95/439235395.db2.gz XPSOZJHYSLXAJD-LJQANCHMSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568738317 439271733 /nfs/dbraw/zinc/27/17/33/439271733.db2.gz YPSNXOOMCNSIKF-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1 ZINC000568741774 439272757 /nfs/dbraw/zinc/27/27/57/439272757.db2.gz DTXSLQMSHWZSBG-MRXNPFEDSA-N 1 3 336.480 0.707 20 0 ECADHO CN1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000582290824 439314899 /nfs/dbraw/zinc/31/48/99/439314899.db2.gz MDHDFLWKRLIIJY-MSOLQXFVSA-N 1 3 345.491 0.793 20 0 ECADHO CN1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000582290824 439314904 /nfs/dbraw/zinc/31/49/04/439314904.db2.gz MDHDFLWKRLIIJY-MSOLQXFVSA-N 1 3 345.491 0.793 20 0 ECADHO COC[C@]1(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CCC[NH2+]1 ZINC000592965218 439323703 /nfs/dbraw/zinc/32/37/03/439323703.db2.gz ULLBAAVHIYVWLX-WMZOPIPTSA-N 1 3 338.496 0.382 20 0 ECADHO CC(C)(C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000582431553 439336821 /nfs/dbraw/zinc/33/68/21/439336821.db2.gz IUOOEILJMMIYLL-RBSFLKMASA-N 1 3 330.432 0.483 20 0 ECADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582121494 439293007 /nfs/dbraw/zinc/29/30/07/439293007.db2.gz RGFHDDITLYZJCG-KKUMJFAQSA-N 1 3 337.468 0.107 20 0 ECADHO NC[C@H]1c2ccccc2CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000582548358 439350345 /nfs/dbraw/zinc/35/03/45/439350345.db2.gz WRCRYLJLVUFEHS-HOTGVXAUSA-N 1 3 330.432 0.329 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000529354761 439411973 /nfs/dbraw/zinc/41/19/73/439411973.db2.gz BNKVHJHMASMNED-HOTGVXAUSA-N 1 3 335.496 0.692 20 0 ECADHO O=C(N[C@@H]1CCN(C2CC2)C1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000570549297 439430467 /nfs/dbraw/zinc/43/04/67/439430467.db2.gz PBPJOSJINADUSJ-HWOWSKLDSA-N 1 3 335.496 0.739 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000583430875 439463007 /nfs/dbraw/zinc/46/30/07/439463007.db2.gz YCTOQSKCOJIMCF-OWCLPIDISA-N 1 3 325.501 0.509 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000583629091 439491209 /nfs/dbraw/zinc/49/12/09/439491209.db2.gz NKRFTDGRUHUZHR-DAYGRLMNSA-N 1 3 341.496 0.728 20 0 ECADHO N[C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000584666784 439607201 /nfs/dbraw/zinc/60/72/01/439607201.db2.gz USTPNDBCWPBTOT-CVEARBPZSA-N 1 3 349.479 0.347 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000584711503 439610149 /nfs/dbraw/zinc/61/01/49/439610149.db2.gz VYTHMSJFKUZRKV-FZKCQIBNSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000573319957 439639779 /nfs/dbraw/zinc/63/97/79/439639779.db2.gz DMHHXCNMTSVEHN-XJKSGUPXSA-N 1 3 332.448 0.592 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000573514038 439650972 /nfs/dbraw/zinc/65/09/72/439650972.db2.gz LYNSZIZFWOVBKZ-UHFFFAOYSA-N 1 3 339.528 0.997 20 0 ECADHO COC[C@]1(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CCC[NH2+]1 ZINC000573562441 439653604 /nfs/dbraw/zinc/65/36/04/439653604.db2.gz IHIBQZGUJUGHGH-BQGCOEIASA-N 1 3 325.453 0.404 20 0 ECADHO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)Cc2ccccc21 ZINC000600770857 439701004 /nfs/dbraw/zinc/70/10/04/439701004.db2.gz CYVIUUQWFUOOMY-RHSMWYFYSA-N 1 3 345.443 0.956 20 0 ECADHO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)Cc2ccccc21 ZINC000600770857 439701006 /nfs/dbraw/zinc/70/10/06/439701006.db2.gz CYVIUUQWFUOOMY-RHSMWYFYSA-N 1 3 345.443 0.956 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000574411364 439703069 /nfs/dbraw/zinc/70/30/69/439703069.db2.gz FKJPJKXDYHWFNH-HNNXBMFYSA-N 1 3 336.484 0.201 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCNC[C@H]1c1cccnc1 ZINC000574571709 439713237 /nfs/dbraw/zinc/71/32/37/439713237.db2.gz XUQSBNFNYSYJOR-WBMJQRKESA-N 1 3 326.404 0.668 20 0 ECADHO CN(C)C[C@@H](CO)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000614853735 439788971 /nfs/dbraw/zinc/78/89/71/439788971.db2.gz HBMIIYOSJFQHRU-SFHVURJKSA-N 1 3 349.475 0.543 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000615225101 439796420 /nfs/dbraw/zinc/79/64/20/439796420.db2.gz AXPDDBQAHNOLLH-OAGGEKHMSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000615225101 439796421 /nfs/dbraw/zinc/79/64/21/439796421.db2.gz AXPDDBQAHNOLLH-OAGGEKHMSA-N 1 3 338.496 0.632 20 0 ECADHO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc(C(C)(C)N)no3)C2)CC1 ZINC000662734340 439862938 /nfs/dbraw/zinc/86/29/38/439862938.db2.gz FMRKMCFKRJCQFO-LBPRGKRZSA-N 1 3 335.452 0.767 20 0 ECADHO CN(C)CCn1cc(C(=O)NCCN2CCC([NH+](C)C)CC2)cn1 ZINC000631624076 439876359 /nfs/dbraw/zinc/87/63/59/439876359.db2.gz ADSIVZSEGXGUCZ-UHFFFAOYSA-N 1 3 336.484 0.201 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000652427379 439842423 /nfs/dbraw/zinc/84/24/23/439842423.db2.gz RTXNPWSFTVXRHT-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000652427379 439842430 /nfs/dbraw/zinc/84/24/30/439842430.db2.gz RTXNPWSFTVXRHT-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cn[n-]c3[C@H]3CC[NH2+]C3)cc2C1 ZINC000662764525 439881392 /nfs/dbraw/zinc/88/13/92/439881392.db2.gz QFNLTUFUPGRHFL-CMPLNLGQSA-N 1 3 326.404 0.950 20 0 ECADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000662716694 439857128 /nfs/dbraw/zinc/85/71/28/439857128.db2.gz VISZLTLVDLVWLI-QZTJIDSGSA-N 1 3 347.459 0.623 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652692667 439923526 /nfs/dbraw/zinc/92/35/26/439923526.db2.gz AHOYLINJMFRMQZ-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000652697713 439926052 /nfs/dbraw/zinc/92/60/52/439926052.db2.gz LNZONVNKTJWBHB-INIZCTEOSA-N 1 3 334.464 0.897 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000652697713 439926057 /nfs/dbraw/zinc/92/60/57/439926057.db2.gz LNZONVNKTJWBHB-INIZCTEOSA-N 1 3 334.464 0.897 20 0 ECADHO CN(CCN1CCN(C(=O)NC/C=C\C[NH3+])CC1)Cc1ccccc1 ZINC000641861771 439931869 /nfs/dbraw/zinc/93/18/69/439931869.db2.gz DSZBWXGRTSPZOB-WAYWQWQTSA-N 1 3 345.491 0.961 20 0 ECADHO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626790728 439883396 /nfs/dbraw/zinc/88/33/96/439883396.db2.gz XXDKIFQKICBAIQ-UHFFFAOYSA-N 1 3 334.420 0.564 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)cn1 ZINC000652621426 439896190 /nfs/dbraw/zinc/89/61/90/439896190.db2.gz JQRXDYUTVZQCPB-OAHLLOKOSA-N 1 3 344.419 0.199 20 0 ECADHO CNc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000626817108 439896794 /nfs/dbraw/zinc/89/67/94/439896794.db2.gz IDYCIADXJUJLOT-UHFFFAOYSA-N 1 3 335.452 0.619 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(C)C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000641808680 439921553 /nfs/dbraw/zinc/92/15/53/439921553.db2.gz OWAZIXDEXZBLER-HNNXBMFYSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000662985339 439981432 /nfs/dbraw/zinc/98/14/32/439981432.db2.gz UQBPGFHTIJCGMD-OAGGEKHMSA-N 1 3 336.480 0.659 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652723425 439943647 /nfs/dbraw/zinc/94/36/47/439943647.db2.gz AFVFNPTUMMWEFU-UHFFFAOYSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)N1CCc2ccccc2C1 ZINC000636587858 439947272 /nfs/dbraw/zinc/94/72/72/439947272.db2.gz NQXOENJKMUEZCT-MAUKXSAKSA-N 1 3 346.475 0.799 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)N1CCc2ccccc2C1 ZINC000636587858 439947278 /nfs/dbraw/zinc/94/72/78/439947278.db2.gz NQXOENJKMUEZCT-MAUKXSAKSA-N 1 3 346.475 0.799 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000652728176 439950364 /nfs/dbraw/zinc/95/03/64/439950364.db2.gz WXBDHOUETBBPGP-MRXNPFEDSA-N 1 3 336.480 0.661 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000662937007 439953325 /nfs/dbraw/zinc/95/33/25/439953325.db2.gz DOUNZUVXAKDSQQ-MRXNPFEDSA-N 1 3 332.448 0.527 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c(OCCN(C)C)c1 ZINC000626913546 439953771 /nfs/dbraw/zinc/95/37/71/439953771.db2.gz METFMBYOEOLQKY-CYBMUJFWSA-N 1 3 334.420 0.352 20 0 ECADHO CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016707 439989855 /nfs/dbraw/zinc/98/98/55/439989855.db2.gz HVHWSLIAXHTPKJ-KBPBESRZSA-N 1 3 334.468 0.523 20 0 ECADHO C[C@H]([NH3+])CCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663019553 439991966 /nfs/dbraw/zinc/99/19/66/439991966.db2.gz TYCJOBYZONRDPL-KBPBESRZSA-N 1 3 334.468 0.653 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C[C@H]21 ZINC000642785901 440038050 /nfs/dbraw/zinc/03/80/50/440038050.db2.gz PFZIQTJETXBUDJ-QKPAOTATSA-N 1 3 334.464 0.173 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642684654 440004673 /nfs/dbraw/zinc/00/46/73/440004673.db2.gz BYNHAKKSEJEWFG-AWEZNQCLSA-N 1 3 332.448 0.539 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1CCCN(CC2CC2)C1 ZINC000631953785 440008986 /nfs/dbraw/zinc/00/89/86/440008986.db2.gz SCXJROUKJVUTFG-HNNXBMFYSA-N 1 3 344.525 0.627 20 0 ECADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627153127 440023590 /nfs/dbraw/zinc/02/35/90/440023590.db2.gz PXKPZMZVMNMAHI-UHFFFAOYSA-N 1 3 335.452 0.663 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000627162982 440027505 /nfs/dbraw/zinc/02/75/05/440027505.db2.gz ZOUWSCMHYMLGRG-DLBZAZTESA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H](CNC(=O)NCCN1CC[C@@H](O)C1)[N@@H+](C)Cc1ccccc1 ZINC000636768619 440032665 /nfs/dbraw/zinc/03/26/65/440032665.db2.gz YHRFHOLHADIPAY-DOTOQJQBSA-N 1 3 334.464 0.873 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000642783362 440035725 /nfs/dbraw/zinc/03/57/25/440035725.db2.gz VKPSMGGMNNNKQG-DZKIICNBSA-N 1 3 332.448 0.619 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000658539731 439987063 /nfs/dbraw/zinc/98/70/63/439987063.db2.gz HOKTVOYWROCNJK-UHFFFAOYSA-N 1 3 332.448 0.749 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000631926722 439988410 /nfs/dbraw/zinc/98/84/10/439988410.db2.gz HBSRGUBXSXRXDP-DZGCQCFKSA-N 1 3 330.498 0.331 20 0 ECADHO C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663015500 439988528 /nfs/dbraw/zinc/98/85/28/439988528.db2.gz OGDGHLMCGFPGJO-UONOGXRCSA-N 1 3 334.468 0.381 20 0 ECADHO [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000663016611 439988553 /nfs/dbraw/zinc/98/85/53/439988553.db2.gz HACKXQVIZPBWSK-MGPQQGTHSA-N 1 3 332.452 0.263 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919352 440064766 /nfs/dbraw/zinc/06/47/66/440064766.db2.gz XWCFQHUAFLBZDO-UHFFFAOYSA-N 1 3 338.477 0.507 20 0 ECADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC1CNC1 ZINC000642924133 440065689 /nfs/dbraw/zinc/06/56/89/440065689.db2.gz VRLUYLJDYLZFAP-MRXNPFEDSA-N 1 3 344.459 0.445 20 0 ECADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC1CNC1 ZINC000642924133 440065695 /nfs/dbraw/zinc/06/56/95/440065695.db2.gz VRLUYLJDYLZFAP-MRXNPFEDSA-N 1 3 344.459 0.445 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000627244476 440066861 /nfs/dbraw/zinc/06/68/61/440066861.db2.gz ADZDPRAIGJELEN-IAOVAPTHSA-N 1 3 332.448 0.803 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642940050 440067078 /nfs/dbraw/zinc/06/70/78/440067078.db2.gz IUNNAPMAJFHPAB-HOCLYGCPSA-N 1 3 332.448 0.430 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000642958570 440070755 /nfs/dbraw/zinc/07/07/55/440070755.db2.gz UMEOHTHUUOQQHF-MCIONIFRSA-N 1 3 340.468 0.205 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000642989719 440078870 /nfs/dbraw/zinc/07/88/70/440078870.db2.gz QRQRTZSGTKCBFV-ARFHVFGLSA-N 1 3 336.480 0.720 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C[C@@H]3CSCCN3)C2)C1 ZINC000653183792 440090686 /nfs/dbraw/zinc/09/06/86/440090686.db2.gz JQAMJDLJSOTLIA-YJNKXOJESA-N 1 3 327.494 0.826 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000632025586 440044699 /nfs/dbraw/zinc/04/46/99/440044699.db2.gz MFMNGBTVCMQRTJ-YESZJQIVSA-N 1 3 349.479 0.768 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000642910554 440059003 /nfs/dbraw/zinc/05/90/03/440059003.db2.gz ISJLBIAOXIANIQ-CYBMUJFWSA-N 1 3 326.485 0.809 20 0 ECADHO CN1CCN(CCC(C)(C)NS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632228845 440125302 /nfs/dbraw/zinc/12/53/02/440125302.db2.gz LNYSGCDVGXGJAB-UHFFFAOYSA-N 1 3 334.530 0.274 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643370860 440127817 /nfs/dbraw/zinc/12/78/17/440127817.db2.gz QPKMPKCBDXBVQK-INIZCTEOSA-N 1 3 345.447 0.283 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000627328771 440128166 /nfs/dbraw/zinc/12/81/66/440128166.db2.gz NCPFXSXUENGZCR-UHFFFAOYSA-N 1 3 326.485 0.668 20 0 ECADHO CCN(C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1)[C@@H]1CCN(CC)C1 ZINC000658821583 440134831 /nfs/dbraw/zinc/13/48/31/440134831.db2.gz MRMXSKXAXVECKP-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000653369837 440138834 /nfs/dbraw/zinc/13/88/34/440138834.db2.gz XRSNVGXSQRHGRK-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO CC1CC[NH+](CCNC(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000653369837 440138842 /nfs/dbraw/zinc/13/88/42/440138842.db2.gz XRSNVGXSQRHGRK-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)N(C)Cc1ccccc1 ZINC000627304208 440110422 /nfs/dbraw/zinc/11/04/22/440110422.db2.gz OMFHNWMHCCQBJL-IJEWVQPXSA-N 1 3 332.448 0.490 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)N(C)Cc1ccccc1 ZINC000627304209 440111419 /nfs/dbraw/zinc/11/14/19/440111419.db2.gz OMFHNWMHCCQBJL-OFQRWUPVSA-N 1 3 332.448 0.490 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627311646 440113127 /nfs/dbraw/zinc/11/31/27/440113127.db2.gz DOZJXFRZABTUTC-KFWWJZLASA-N 1 3 336.480 0.624 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627394808 440176822 /nfs/dbraw/zinc/17/68/22/440176822.db2.gz QUXXEPAZCNDDSO-KBPBESRZSA-N 1 3 336.480 0.624 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494615 440187715 /nfs/dbraw/zinc/18/77/15/440187715.db2.gz OAPBZPYHJVOCSK-BRWVUGGUSA-N 1 3 348.491 0.531 20 0 ECADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643503535 440191101 /nfs/dbraw/zinc/19/11/01/440191101.db2.gz RXPUCTKDOATKEG-OAHLLOKOSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@H]1CCCN3CCCC[C@@H]13)C2 ZINC000627425085 440195913 /nfs/dbraw/zinc/19/59/13/440195913.db2.gz DHOKKNUVNOZHPJ-STEAMIEHSA-N 1 3 348.491 0.578 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)CC2 ZINC000643526225 440199344 /nfs/dbraw/zinc/19/93/44/440199344.db2.gz VMLIYOSOJIXCNY-FZKCQIBNSA-N 1 3 336.480 0.656 20 0 ECADHO CN1CCN(CCNS(=O)(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC000632304448 440163068 /nfs/dbraw/zinc/16/30/68/440163068.db2.gz UHHVTXSPPGZGLU-UHFFFAOYSA-N 1 3 346.541 0.418 20 0 ECADHO CN(CCC(=O)Nc1ccc2c(c1)OCO2)CCN1CC[NH2+]CC1 ZINC000647835130 440164136 /nfs/dbraw/zinc/16/41/36/440164136.db2.gz NVVCXGPSTMPKSH-UHFFFAOYSA-N 1 3 334.420 0.581 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643545443 440208707 /nfs/dbraw/zinc/20/87/07/440208707.db2.gz UUZOGIYVPAXPCZ-WCVJEAGWSA-N 1 3 334.464 0.282 20 0 ECADHO CCn1nncc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000637265589 440219354 /nfs/dbraw/zinc/21/93/54/440219354.db2.gz SKMMPNHPJQNEMY-ZDUSSCGKSA-N 1 3 325.461 0.369 20 0 ECADHO CCn1nncc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000637265589 440219358 /nfs/dbraw/zinc/21/93/58/440219358.db2.gz SKMMPNHPJQNEMY-ZDUSSCGKSA-N 1 3 325.461 0.369 20 0 ECADHO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659079710 440230864 /nfs/dbraw/zinc/23/08/64/440230864.db2.gz WYWOPMJAKFUKKB-OAHLLOKOSA-N 1 3 334.420 0.306 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000659096266 440243162 /nfs/dbraw/zinc/24/31/62/440243162.db2.gz OTRZBACGGZOBBI-AWEZNQCLSA-N 1 3 348.447 0.952 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000627503846 440243911 /nfs/dbraw/zinc/24/39/11/440243911.db2.gz FPDDESCAADYTNX-MRXNPFEDSA-N 1 3 336.480 0.579 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659104933 440253112 /nfs/dbraw/zinc/25/31/12/440253112.db2.gz UQSOCNUWRCCJJD-UHFFFAOYSA-N 1 3 330.432 0.597 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000659111530 440256700 /nfs/dbraw/zinc/25/67/00/440256700.db2.gz HWSDPSWQIWQLHS-NSHDSACASA-N 1 3 340.399 0.429 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000659358956 440306766 /nfs/dbraw/zinc/30/67/66/440306766.db2.gz UYTFFIWYGUHJHZ-KWOWKCNFSA-N 1 3 338.496 0.618 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1([NH3+])CCCCC1 ZINC000659507212 440350227 /nfs/dbraw/zinc/35/02/27/440350227.db2.gz FUWYCVMENYTDEQ-UHFFFAOYSA-N 1 3 327.473 0.309 20 0 ECADHO O=C(NCC[NH2+]C1CC1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659510156 440350254 /nfs/dbraw/zinc/35/02/54/440350254.db2.gz LXLZVWVUPNMPIX-KRWDZBQOSA-N 1 3 332.448 0.804 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000659518476 440354012 /nfs/dbraw/zinc/35/40/12/440354012.db2.gz XUFMRMKLBODILD-SJORKVTESA-N 1 3 332.448 0.804 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000659553648 440361061 /nfs/dbraw/zinc/36/10/61/440361061.db2.gz BTZVUMQEVAFTSX-XOSAIJSUSA-N 1 3 336.480 0.927 20 0 ECADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)NC[C@@H]1CNCCO1 ZINC000659555128 440361909 /nfs/dbraw/zinc/36/19/09/440361909.db2.gz LRAILTDWMKUIOO-INIZCTEOSA-N 1 3 340.468 0.165 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@@H]1O ZINC000664727939 440366938 /nfs/dbraw/zinc/36/69/38/440366938.db2.gz TWAIIFZQUXDPGY-IRXDYDNUSA-N 1 3 334.464 0.607 20 0 ECADHO CN1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)[C@H](CN)C1 ZINC000659576759 440367596 /nfs/dbraw/zinc/36/75/96/440367596.db2.gz KZRFGNJTERWVMC-BRWVUGGUSA-N 1 3 331.464 0.416 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)cc1 ZINC000637717172 440327640 /nfs/dbraw/zinc/32/76/40/440327640.db2.gz FADFULPWDSXHKW-SQNIBIBYSA-N 1 3 346.475 0.886 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)[C@]2(C[NH3+])CCCOC2)c1 ZINC000638064479 440423385 /nfs/dbraw/zinc/42/33/85/440423385.db2.gz ULPOVNCDWHKWHZ-SFHVURJKSA-N 1 3 335.448 0.999 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000638077434 440427153 /nfs/dbraw/zinc/42/71/53/440427153.db2.gz SLDHGXZHQDBVJJ-IVSAIRAKSA-N 1 3 327.469 0.759 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000659622796 440378534 /nfs/dbraw/zinc/37/85/34/440378534.db2.gz WBHOQLGUHCUHGQ-CABCVRRESA-N 1 3 339.484 0.308 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC000637982947 440389016 /nfs/dbraw/zinc/38/90/16/440389016.db2.gz YUFOQYOUFFFBJT-UHFFFAOYSA-N 1 3 340.512 0.487 20 0 ECADHO C[NH+](C)CCCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000654852255 440413267 /nfs/dbraw/zinc/41/32/67/440413267.db2.gz UFVXDDPAPUURFN-UHFFFAOYSA-N 1 3 327.473 0.230 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659727362 440465328 /nfs/dbraw/zinc/46/53/28/440465328.db2.gz DJKDKTNSFCUXKR-AWEZNQCLSA-N 1 3 347.463 0.134 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000638153462 440466942 /nfs/dbraw/zinc/46/69/42/440466942.db2.gz VTXWIOWITLDTCX-UHFFFAOYSA-N 1 3 336.436 0.651 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000638153462 440466945 /nfs/dbraw/zinc/46/69/45/440466945.db2.gz VTXWIOWITLDTCX-UHFFFAOYSA-N 1 3 336.436 0.651 20 0 ECADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H]1CN1CCCCC1 ZINC000633081949 440432022 /nfs/dbraw/zinc/43/20/22/440432022.db2.gz KNRMQNBUZBWNFK-OWCLPIDISA-N 1 3 334.464 0.426 20 0 ECADHO [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000633084895 440435450 /nfs/dbraw/zinc/43/54/50/440435450.db2.gz MJCRUPIDTYYWPX-JKSUJKDBSA-N 1 3 336.480 0.803 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633082877 440435471 /nfs/dbraw/zinc/43/54/71/440435471.db2.gz RRVSWWFBCWYODN-HZPDHXFCSA-N 1 3 340.512 0.866 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000659707730 440441513 /nfs/dbraw/zinc/44/15/13/440441513.db2.gz KKSQDPKZICNODP-PBHICJAKSA-N 1 3 346.475 0.737 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633096414 440441469 /nfs/dbraw/zinc/44/14/69/440441469.db2.gz GDOLROAFYRSABP-BBWFWOEESA-N 1 3 342.443 0.292 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638109009 440446190 /nfs/dbraw/zinc/44/61/90/440446190.db2.gz QQGKYDUNFCKIQH-QGZVFWFLSA-N 1 3 327.469 0.748 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000665293811 440448118 /nfs/dbraw/zinc/44/81/18/440448118.db2.gz DGXLFGZDWWNJNT-KDOFPFPSSA-N 1 3 341.415 0.986 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CNCCC1(F)F ZINC000644124031 440448339 /nfs/dbraw/zinc/44/83/39/440448339.db2.gz BNSFJNIDPLMTPD-VXGBXAGGSA-N 1 3 332.395 0.077 20 0 ECADHO CN1CCC(CNC(=O)c2cnc(CN)nc2)([NH+]2CCCCC2)CC1 ZINC000638139159 440460119 /nfs/dbraw/zinc/46/01/19/440460119.db2.gz JFUMHBPYTAQPOD-UHFFFAOYSA-N 1 3 346.479 0.615 20 0 ECADHO C[NH+]1CCC(CNC(=O)c2cnc(CN)nc2)(N2CCCCC2)CC1 ZINC000638139159 440460124 /nfs/dbraw/zinc/46/01/24/440460124.db2.gz JFUMHBPYTAQPOD-UHFFFAOYSA-N 1 3 346.479 0.615 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000659750949 440488242 /nfs/dbraw/zinc/48/82/42/440488242.db2.gz RGMCXDNTAGQJGL-ZDUSSCGKSA-N 1 3 338.427 0.440 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000659750823 440488789 /nfs/dbraw/zinc/48/87/89/440488789.db2.gz HQJNDGXDHUVELZ-HNNXBMFYSA-N 1 3 346.475 0.834 20 0 ECADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000655272516 440518541 /nfs/dbraw/zinc/51/85/41/440518541.db2.gz RNFMWBLDFHUUFG-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO N[C@@H]1CCO[C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638344504 440518952 /nfs/dbraw/zinc/51/89/52/440518952.db2.gz RMSBRLLEAXGWAV-CVEARBPZSA-N 1 3 332.448 0.212 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]1(O)CCO[C@H]1C ZINC000665762950 440524856 /nfs/dbraw/zinc/52/48/56/440524856.db2.gz VJLJOEQGUQTKAS-OFQRWUPVSA-N 1 3 330.473 0.098 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]1(O)CCO[C@H]1C ZINC000665762950 440524861 /nfs/dbraw/zinc/52/48/61/440524861.db2.gz VJLJOEQGUQTKAS-OFQRWUPVSA-N 1 3 330.473 0.098 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000665763944 440528226 /nfs/dbraw/zinc/52/82/26/440528226.db2.gz PQXAMXYSSYOSGM-HRCADAONSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000665763944 440528236 /nfs/dbraw/zinc/52/82/36/440528236.db2.gz PQXAMXYSSYOSGM-HRCADAONSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(=O)N(C)CC1 ZINC000665764047 440531283 /nfs/dbraw/zinc/53/12/83/440531283.db2.gz SFWNAMUDRVHWEF-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(=O)N(C)CC1 ZINC000665764047 440531286 /nfs/dbraw/zinc/53/12/86/440531286.db2.gz SFWNAMUDRVHWEF-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO COCC1(CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000638223970 440481403 /nfs/dbraw/zinc/48/14/03/440481403.db2.gz BPHJWDRRWGSTQG-KRWDZBQOSA-N 1 3 348.491 0.578 20 0 ECADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000638226316 440481675 /nfs/dbraw/zinc/48/16/75/440481675.db2.gz OFQGQKFYAZWOEJ-CABCVRRESA-N 1 3 337.468 0.063 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000638528085 440561547 /nfs/dbraw/zinc/56/15/47/440561547.db2.gz ULKHTWCIKNAUOU-HOTGVXAUSA-N 1 3 325.501 0.781 20 0 ECADHO CO[C@@]1(C[NH2+]CCCN2CCN(c3ccncc3)CC2)CCOC1 ZINC000638464230 440542465 /nfs/dbraw/zinc/54/24/65/440542465.db2.gz ZBTUZDSQVARFRS-GOSISDBHSA-N 1 3 334.464 0.989 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCc2cn[nH]n2)CC1 ZINC000659942882 440545397 /nfs/dbraw/zinc/54/53/97/440545397.db2.gz PXYUIVIOGXXPRD-UHFFFAOYSA-N 1 3 336.484 0.763 20 0 ECADHO O=C(Nc1ccc2c(c1)OCCNC2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000638669074 440598605 /nfs/dbraw/zinc/59/86/05/440598605.db2.gz XTKVXYRDXAFLFO-CQSZACIVSA-N 1 3 342.403 0.764 20 0 ECADHO O=C(Nc1ccc2c(c1)OCCNC2)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000638670520 440600574 /nfs/dbraw/zinc/60/05/74/440600574.db2.gz HMZRPDUWMNYIPI-CQSZACIVSA-N 1 3 342.403 0.937 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000638732490 440612177 /nfs/dbraw/zinc/61/21/77/440612177.db2.gz PBYJTFIICXDJNG-CALCHBBNSA-N 1 3 327.469 0.429 20 0 ECADHO NC[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(F)(F)F ZINC000655914292 440638915 /nfs/dbraw/zinc/63/89/15/440638915.db2.gz FOWRXMBXHACYRG-NSHDSACASA-N 1 3 338.374 0.820 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000660269647 440628315 /nfs/dbraw/zinc/62/83/15/440628315.db2.gz KXOGVVGRLDAINH-OAGGEKHMSA-N 1 3 338.496 0.774 20 0 ECADHO [NH3+]CCCn1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000638803248 440629924 /nfs/dbraw/zinc/62/99/24/440629924.db2.gz JPRMBXDCNFFGQX-MRXNPFEDSA-N 1 3 342.447 0.879 20 0 ECADHO N[C@H]1CCCCN(CC(=O)NCc2cccc3c2CC[NH2+]C3)C1=O ZINC000638845167 440632476 /nfs/dbraw/zinc/63/24/76/440632476.db2.gz AEWXEMDXGQNQOL-INIZCTEOSA-N 1 3 330.432 0.288 20 0 ECADHO COC[C@H](C)OC[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000644601497 440655208 /nfs/dbraw/zinc/65/52/08/440655208.db2.gz LRXHNISCQQLYTP-RANZSIQMSA-N 1 3 344.496 0.756 20 0 ECADHO COC[C@H](C)OC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000644601497 440655213 /nfs/dbraw/zinc/65/52/13/440655213.db2.gz LRXHNISCQQLYTP-RANZSIQMSA-N 1 3 344.496 0.756 20 0 ECADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000666770592 440687649 /nfs/dbraw/zinc/68/76/49/440687649.db2.gz LQCAHMQQMVDOQI-MRXNPFEDSA-N 1 3 330.432 0.945 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916914 440641597 /nfs/dbraw/zinc/64/15/97/440641597.db2.gz KRDCQODZNJKXOS-NWDGAFQWSA-N 1 3 339.406 0.449 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655924678 440645814 /nfs/dbraw/zinc/64/58/14/440645814.db2.gz OFCQWQBHYHQKJJ-LLVKDONJSA-N 1 3 339.406 0.591 20 0 ECADHO CO[C@@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)[C@@H]1CCOC1 ZINC000639170377 440690384 /nfs/dbraw/zinc/69/03/84/440690384.db2.gz BDXZUJMNQCSCLR-MSOLQXFVSA-N 1 3 325.497 0.997 20 0 ECADHO O[C@@H](CNC[C@@]1(O)CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634718440 440697191 /nfs/dbraw/zinc/69/71/91/440697191.db2.gz BZOZLGJKUOOZGD-OALUTQOASA-N 1 3 333.476 0.670 20 0 ECADHO OC[C@H](CN1CCCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634722522 440699767 /nfs/dbraw/zinc/69/97/67/440699767.db2.gz QJEYBXLDRXFSSR-OALUTQOASA-N 1 3 333.476 0.670 20 0 ECADHO OC[C@H](CN1CCCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722522 440699776 /nfs/dbraw/zinc/69/97/76/440699776.db2.gz QJEYBXLDRXFSSR-OALUTQOASA-N 1 3 333.476 0.670 20 0 ECADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629551579 440725457 /nfs/dbraw/zinc/72/54/57/440725457.db2.gz WCWLGSRKPWBEBD-XOYOTBSWSA-N 1 3 334.464 0.624 20 0 ECADHO NC(=O)[C@H]1C[N@H+](Cc2cccc(CN3CCCCC3)c2)C[C@H]1C(N)=O ZINC000639844384 440803153 /nfs/dbraw/zinc/80/31/53/440803153.db2.gz INAJRJQLEVMPCS-CALCHBBNSA-N 1 3 344.459 0.691 20 0 ECADHO NC(=O)[C@H]1C[N@@H+](Cc2cccc(CN3CCCCC3)c2)C[C@H]1C(N)=O ZINC000639844384 440803160 /nfs/dbraw/zinc/80/31/60/440803160.db2.gz INAJRJQLEVMPCS-CALCHBBNSA-N 1 3 344.459 0.691 20 0 ECADHO NC(=O)[C@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C(N)=O ZINC000639844384 440803166 /nfs/dbraw/zinc/80/31/66/440803166.db2.gz INAJRJQLEVMPCS-CALCHBBNSA-N 1 3 344.459 0.691 20 0 ECADHO COCCN(C)CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645250069 440770481 /nfs/dbraw/zinc/77/04/81/440770481.db2.gz VONNGJFCIDAYOT-UHFFFAOYSA-N 1 3 328.457 0.071 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CN1C1CC1 ZINC000656333556 440775742 /nfs/dbraw/zinc/77/57/42/440775742.db2.gz IWDWHUQLOQLOGN-WTTBNOFXSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CN1C1CC1 ZINC000656333556 440775747 /nfs/dbraw/zinc/77/57/47/440775747.db2.gz IWDWHUQLOQLOGN-WTTBNOFXSA-N 1 3 348.491 0.861 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656336464 440776004 /nfs/dbraw/zinc/77/60/04/440776004.db2.gz FGYNPLVLTXQZQD-PMPSAXMXSA-N 1 3 338.496 0.966 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000635479604 440866152 /nfs/dbraw/zinc/86/61/52/440866152.db2.gz QAMIJLJEVQSTMK-HOTGVXAUSA-N 1 3 325.453 0.467 20 0 ECADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635486519 440865090 /nfs/dbraw/zinc/86/50/90/440865090.db2.gz LNLQYJMUCHQHHG-INIZCTEOSA-N 1 3 348.491 0.803 20 0 ECADHO CN(C)CCN1C(=O)C[C@@H](N2CCC(C)([NH+]3CCCC3)CC2)C1=O ZINC000630382205 440895612 /nfs/dbraw/zinc/89/56/12/440895612.db2.gz GBCKVJIZYCKCTM-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000661686817 440904006 /nfs/dbraw/zinc/90/40/06/440904006.db2.gz JJYGWMXATUKLIY-JKSUJKDBSA-N 1 3 338.496 0.917 20 0 ECADHO CCN1CCN(CCCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630733619 440950108 /nfs/dbraw/zinc/95/01/08/440950108.db2.gz CAPCGPLZXGVAFX-UHFFFAOYSA-N 1 3 336.484 0.202 20 0 ECADHO O=C(CN1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1)N1CCCC1 ZINC000662260062 440998497 /nfs/dbraw/zinc/99/84/97/440998497.db2.gz GCRNLAAJEWPNCV-MRXNPFEDSA-N 1 3 336.480 0.138 20 0 ECADHO CC[C@H]1CN(C)CCCN1C(=O)CC[N@H+](C)CCOCCOC ZINC000635884003 441021893 /nfs/dbraw/zinc/02/18/93/441021893.db2.gz BCPNLWZKABPVPE-INIZCTEOSA-N 1 3 329.485 0.914 20 0 ECADHO CC[C@H]1CN(C)CCCN1C(=O)CC[N@@H+](C)CCOCCOC ZINC000635884003 441021896 /nfs/dbraw/zinc/02/18/96/441021896.db2.gz BCPNLWZKABPVPE-INIZCTEOSA-N 1 3 329.485 0.914 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2CCCN2CCCO)c(F)c1 ZINC000652270161 441043085 /nfs/dbraw/zinc/04/30/85/441043085.db2.gz XMJDZLZSULQWNO-OAHLLOKOSA-N 1 3 338.427 0.930 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000646433281 441062821 /nfs/dbraw/zinc/06/28/21/441062821.db2.gz RHMVUULVLKFQRA-XJKSGUPXSA-N 1 3 332.448 0.592 20 0 ECADHO COC[C@@H]([NH3+])Cc1cn(C[C@@H](O)CN(C)Cc2ccccc2)nn1 ZINC000641215086 441076978 /nfs/dbraw/zinc/07/69/78/441076978.db2.gz MSPDVVALTLYZHD-RDJZCZTQSA-N 1 3 333.436 0.287 20 0 ECADHO CCNCc1ccn(Cc2cn(C[C@@H](O)C[N@H+](C)C(C)C)nn2)n1 ZINC000641221842 441080303 /nfs/dbraw/zinc/08/03/03/441080303.db2.gz LMSYMPYRCKKXAQ-INIZCTEOSA-N 1 3 335.456 0.334 20 0 ECADHO CCNCc1ccn(Cc2cn(C[C@@H](O)C[N@@H+](C)C(C)C)nn2)n1 ZINC000641221842 441080308 /nfs/dbraw/zinc/08/03/08/441080308.db2.gz LMSYMPYRCKKXAQ-INIZCTEOSA-N 1 3 335.456 0.334 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000641477984 441128447 /nfs/dbraw/zinc/12/84/47/441128447.db2.gz UWKBPAHNTMCMFP-AEFFLSMTSA-N 1 3 345.491 0.935 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000339580437 320987095 /nfs/dbraw/zinc/98/70/95/320987095.db2.gz RPSHZTNZYXGENI-HZPDHXFCSA-N 1 3 340.512 0.929 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340257663 321030879 /nfs/dbraw/zinc/03/08/79/321030879.db2.gz RSHKUKYBUBMTSN-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000340257663 321030880 /nfs/dbraw/zinc/03/08/80/321030880.db2.gz RSHKUKYBUBMTSN-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340268300 321033083 /nfs/dbraw/zinc/03/30/83/321033083.db2.gz OBYSCRSOJLDGJR-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340268300 321033086 /nfs/dbraw/zinc/03/30/86/321033086.db2.gz OBYSCRSOJLDGJR-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000342034676 321072859 /nfs/dbraw/zinc/07/28/59/321072859.db2.gz JUGDQKLYEXFDAR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000342034676 321072861 /nfs/dbraw/zinc/07/28/61/321072861.db2.gz JUGDQKLYEXFDAR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342711610 321100450 /nfs/dbraw/zinc/10/04/50/321100450.db2.gz QJKNNRKNHJOGKW-OAHLLOKOSA-N 1 3 341.452 0.370 20 0 ECADHO Cn1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c(-c2cccnc2)n1 ZINC000347026386 321228082 /nfs/dbraw/zinc/22/80/82/321228082.db2.gz TTXMNVKKRKVREN-HNNXBMFYSA-N 1 3 342.447 0.769 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000348765155 321286854 /nfs/dbraw/zinc/28/68/54/321286854.db2.gz QVXUUJODTQXNNU-CQSZACIVSA-N 1 3 336.480 0.742 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000349903462 321317958 /nfs/dbraw/zinc/31/79/58/321317958.db2.gz GKMPNERUGVTODT-HNNXBMFYSA-N 1 3 328.457 0.117 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1=O ZINC000353391135 321389670 /nfs/dbraw/zinc/38/96/70/321389670.db2.gz UXMWZJMPJUGULG-QBPKDAKJSA-N 1 3 348.491 0.387 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1CNC2=O ZINC000554553539 322172858 /nfs/dbraw/zinc/17/28/58/322172858.db2.gz JQMNYDLAWHSKNZ-UHFFFAOYSA-N 1 3 333.436 0.887 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000556360158 322190368 /nfs/dbraw/zinc/19/03/68/322190368.db2.gz JXGKJMMEXJUGQD-BZUAXINKSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000556360158 322190370 /nfs/dbraw/zinc/19/03/70/322190370.db2.gz JXGKJMMEXJUGQD-BZUAXINKSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000557133875 322204365 /nfs/dbraw/zinc/20/43/65/322204365.db2.gz CKNZVNVWZNTXJW-HOTGVXAUSA-N 1 3 325.501 0.783 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000557133875 322204366 /nfs/dbraw/zinc/20/43/66/322204366.db2.gz CKNZVNVWZNTXJW-HOTGVXAUSA-N 1 3 325.501 0.783 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000562760310 322283683 /nfs/dbraw/zinc/28/36/83/322283683.db2.gz VAQJRDZOYJKLST-UHFFFAOYSA-N 1 3 336.436 0.811 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000563119608 322299216 /nfs/dbraw/zinc/29/92/16/322299216.db2.gz UYPZSAUJMPAZCD-RISCZKNCSA-N 1 3 343.497 0.419 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000563653457 322337173 /nfs/dbraw/zinc/33/71/73/322337173.db2.gz YZRUJFHSEZRFCJ-UHFFFAOYSA-N 1 3 326.485 0.953 20 0 ECADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000564328232 322369570 /nfs/dbraw/zinc/36/95/70/322369570.db2.gz LQNXBVJRQRGNTB-IAGOWNOFSA-N 1 3 332.448 0.788 20 0 ECADHO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCN2CCC1CC2 ZINC000571789171 322733665 /nfs/dbraw/zinc/73/36/65/322733665.db2.gz JQMANVNDJCVCGD-IRXDYDNUSA-N 1 3 336.480 0.854 20 0 ECADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000575749592 322795693 /nfs/dbraw/zinc/79/56/93/322795693.db2.gz CHDZVNFKDARJNF-RHSMWYFYSA-N 1 3 340.431 0.728 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000577111333 322825666 /nfs/dbraw/zinc/82/56/66/322825666.db2.gz PSLWORUAZKOLSV-MRXNPFEDSA-N 1 3 332.448 0.529 20 0 ECADHO CSCC[C@H]([NH3+])C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000577749084 322845388 /nfs/dbraw/zinc/84/53/88/322845388.db2.gz KGOMQZFJILORQC-GJZGRUSLSA-N 1 3 328.526 0.694 20 0 ECADHO CC[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000578738225 322872914 /nfs/dbraw/zinc/87/29/14/322872914.db2.gz VFKLAEJXQHWPMM-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO O=C(N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011783 782134226 /nfs/dbraw/zinc/13/42/26/782134226.db2.gz HKMMMPLSCQETFC-ARFHVFGLSA-N 1 3 337.464 0.203 20 0 ECADHO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCNC2)C1CC1 ZINC000567710117 517910029 /nfs/dbraw/zinc/91/00/29/517910029.db2.gz PNFSHQVRQGAQPQ-INIZCTEOSA-N 1 3 330.432 0.727 20 0 ECADHO CC(C)[NH+]1CCN(CCCN2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000191498748 529041276 /nfs/dbraw/zinc/04/12/76/529041276.db2.gz CPUCAFBORGGRNA-HNNXBMFYSA-N 1 3 332.514 0.026 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621845050 546575326 /nfs/dbraw/zinc/57/53/26/546575326.db2.gz AZRAYNBTDNSROV-DEYYWGMASA-N 1 3 336.480 0.563 20 0 ECADHO Nc1nc(N)nc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000624097962 546878065 /nfs/dbraw/zinc/87/80/65/546878065.db2.gz KRYMDSOVTLAEHZ-RRFJBIMHSA-N 1 3 339.447 0.831 20 0 ECADHO Nc1nc(N)nc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000624097962 546878067 /nfs/dbraw/zinc/87/80/67/546878067.db2.gz KRYMDSOVTLAEHZ-RRFJBIMHSA-N 1 3 339.447 0.831 20 0 ECADHO CC(C)[C@@H]1CNCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000626978446 547366528 /nfs/dbraw/zinc/36/65/28/547366528.db2.gz DALYQBMCUNJSKQ-WBVHZDCISA-N 1 3 337.512 0.794 20 0 ECADHO CC(C)[C@@H]1CNCCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000626978446 547366534 /nfs/dbraw/zinc/36/65/34/547366534.db2.gz DALYQBMCUNJSKQ-WBVHZDCISA-N 1 3 337.512 0.794 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)NCCN2CC[C@H](O)C2)[NH+](C)C)cc1 ZINC000636662335 547389703 /nfs/dbraw/zinc/38/97/03/547389703.db2.gz NACUBGGBZCDXEI-DLBZAZTESA-N 1 3 334.464 0.964 20 0 ECADHO C[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@@H+](C2CCC2)C1 ZINC000659631005 547446651 /nfs/dbraw/zinc/44/66/51/547446651.db2.gz YSFNXPXHZSCIPK-LBPRGKRZSA-N 1 3 348.451 0.657 20 0 ECADHO C[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@H+](C2CCC2)C1 ZINC000659631005 547446654 /nfs/dbraw/zinc/44/66/54/547446654.db2.gz YSFNXPXHZSCIPK-LBPRGKRZSA-N 1 3 348.451 0.657 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000667264412 547492633 /nfs/dbraw/zinc/49/26/33/547492633.db2.gz MEMQCFXHTKKEPV-HNNXBMFYSA-N 1 3 348.447 0.824 20 0 ECADHO CN(C)C1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000667680545 547543096 /nfs/dbraw/zinc/54/30/96/547543096.db2.gz JXLXSWCILGKRRD-UHFFFAOYSA-N 1 3 331.464 0.804 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668625082 547705276 /nfs/dbraw/zinc/70/52/76/547705276.db2.gz ZZMCDDXNVSMYGK-ZIAGYGMSSA-N 1 3 326.485 0.822 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000668686948 547725342 /nfs/dbraw/zinc/72/53/42/547725342.db2.gz BSESWGBVDNDXAO-AWEZNQCLSA-N 1 3 333.480 0.999 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000668686948 547725346 /nfs/dbraw/zinc/72/53/46/547725346.db2.gz BSESWGBVDNDXAO-AWEZNQCLSA-N 1 3 333.480 0.999 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000668891343 547778581 /nfs/dbraw/zinc/77/85/81/547778581.db2.gz BBPLGTBFVKQMDP-ARFHVFGLSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000668891343 547778586 /nfs/dbraw/zinc/77/85/86/547778586.db2.gz BBPLGTBFVKQMDP-ARFHVFGLSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000668891345 547778840 /nfs/dbraw/zinc/77/88/40/547778840.db2.gz BBPLGTBFVKQMDP-HRCADAONSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000668891345 547778845 /nfs/dbraw/zinc/77/88/45/547778845.db2.gz BBPLGTBFVKQMDP-HRCADAONSA-N 1 3 338.496 0.822 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669452030 547891019 /nfs/dbraw/zinc/89/10/19/547891019.db2.gz XNHRDJPODWUXLS-JKSUJKDBSA-N 1 3 326.485 0.986 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669500061 547900081 /nfs/dbraw/zinc/90/00/81/547900081.db2.gz HSLJXDKNEFWOGU-HZPDHXFCSA-N 1 3 325.501 0.701 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccn1 ZINC000669547200 547904933 /nfs/dbraw/zinc/90/49/33/547904933.db2.gz WRFMDZYKEGCCHY-CVEARBPZSA-N 1 3 347.463 0.915 20 0 ECADHO CN1CCC(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000670545587 548029982 /nfs/dbraw/zinc/02/99/82/548029982.db2.gz BFSSDMSKQMZJRR-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000670895121 548066909 /nfs/dbraw/zinc/06/69/09/548066909.db2.gz QSWHGFJODOHXLH-KRWDZBQOSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671123247 548096667 /nfs/dbraw/zinc/09/66/67/548096667.db2.gz DXVOVNWTJXHWAI-IIAWOOMASA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000671123247 548096670 /nfs/dbraw/zinc/09/66/70/548096670.db2.gz DXVOVNWTJXHWAI-IIAWOOMASA-N 1 3 334.464 0.282 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671180785 548105308 /nfs/dbraw/zinc/10/53/08/548105308.db2.gz WHFJRZCJOWQYNL-PMPSAXMXSA-N 1 3 334.464 0.330 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671180785 548105311 /nfs/dbraw/zinc/10/53/11/548105311.db2.gz WHFJRZCJOWQYNL-PMPSAXMXSA-N 1 3 334.464 0.330 20 0 ECADHO C[N@@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H]2CCC[C@H]21 ZINC000671746701 548225882 /nfs/dbraw/zinc/22/58/82/548225882.db2.gz YZSOXFFPVNLNQR-HRCADAONSA-N 1 3 344.525 0.026 20 0 ECADHO C[N@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H]2CCC[C@H]21 ZINC000671746701 548225885 /nfs/dbraw/zinc/22/58/85/548225885.db2.gz YZSOXFFPVNLNQR-HRCADAONSA-N 1 3 344.525 0.026 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672012015 548254672 /nfs/dbraw/zinc/25/46/72/548254672.db2.gz YZRIIOAQAWLZRM-HOCLYGCPSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000672098941 548269937 /nfs/dbraw/zinc/26/99/37/548269937.db2.gz QZBVDHIJYICNSA-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000672098941 548269942 /nfs/dbraw/zinc/26/99/42/548269942.db2.gz QZBVDHIJYICNSA-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672307641 548304084 /nfs/dbraw/zinc/30/40/84/548304084.db2.gz HROGDFISYMNWDS-INIZCTEOSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCC23CCN(C)CC3)CC[N@@H+]1C ZINC000672593385 548357063 /nfs/dbraw/zinc/35/70/63/548357063.db2.gz STCZMYUEEKYEBQ-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCC23CCN(C)CC3)CC[N@H+]1C ZINC000672593385 548357068 /nfs/dbraw/zinc/35/70/68/548357068.db2.gz STCZMYUEEKYEBQ-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000672698059 548374786 /nfs/dbraw/zinc/37/47/86/548374786.db2.gz ISEZKXDMKZHZLY-XHSDSOJGSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000672698059 548374790 /nfs/dbraw/zinc/37/47/90/548374790.db2.gz ISEZKXDMKZHZLY-XHSDSOJGSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCCO1 ZINC000672976247 548421147 /nfs/dbraw/zinc/42/11/47/548421147.db2.gz IHFWOBPAXKDJDX-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCC1 ZINC000672982841 548423035 /nfs/dbraw/zinc/42/30/35/548423035.db2.gz BCYLVZLRSNVMCQ-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCC1 ZINC000672982841 548423037 /nfs/dbraw/zinc/42/30/37/548423037.db2.gz BCYLVZLRSNVMCQ-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000675086374 548707000 /nfs/dbraw/zinc/70/70/00/548707000.db2.gz NFGJYVHGCHBCIO-GOEBONIOSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000675086374 548707004 /nfs/dbraw/zinc/70/70/04/548707004.db2.gz NFGJYVHGCHBCIO-GOEBONIOSA-N 1 3 337.512 0.794 20 0 ECADHO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000677860045 548961586 /nfs/dbraw/zinc/96/15/86/548961586.db2.gz LSJSDABQCRJDCO-SJORKVTESA-N 1 3 336.480 0.090 20 0 ECADHO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000677860045 548961591 /nfs/dbraw/zinc/96/15/91/548961591.db2.gz LSJSDABQCRJDCO-SJORKVTESA-N 1 3 336.480 0.090 20 0 ECADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CN2CCN1CCC2 ZINC000678577627 549037718 /nfs/dbraw/zinc/03/77/18/549037718.db2.gz HDAFOIFEAVXCTR-GOSISDBHSA-N 1 3 343.475 0.804 20 0 ECADHO CN1CC[NH+](CC2CCN(C(=O)N[C@@H]3CCCN(C)C3)CC2)CC1 ZINC000683375128 549483492 /nfs/dbraw/zinc/48/34/92/549483492.db2.gz WYRFCRRUCUBARD-QGZVFWFLSA-N 1 3 337.512 0.750 20 0 ECADHO C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCSC1 ZINC000748627669 579327371 /nfs/dbraw/zinc/32/73/71/579327371.db2.gz LNZAWAGKARWOFI-DZKIICNBSA-N 1 3 342.509 0.586 20 0 ECADHO CN(C(=O)CCN1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732558576 578327413 /nfs/dbraw/zinc/32/74/13/578327413.db2.gz BSQKDNLWZBFXNA-QGZVFWFLSA-N 1 3 338.496 0.336 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C(F)F)c1 ZINC000784395116 578751481 /nfs/dbraw/zinc/75/14/81/578751481.db2.gz YCBJTQUOHMXNLS-UHFFFAOYSA-N 1 3 346.382 0.169 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793696144 578935295 /nfs/dbraw/zinc/93/52/95/578935295.db2.gz FQQUSHXNICDYMY-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793696144 578935296 /nfs/dbraw/zinc/93/52/96/578935296.db2.gz FQQUSHXNICDYMY-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793708193 578936529 /nfs/dbraw/zinc/93/65/29/578936529.db2.gz LPIZGLKEUGIYPJ-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000760476431 579511033 /nfs/dbraw/zinc/51/10/33/579511033.db2.gz ODEOPAZMIPHKOE-HNNXBMFYSA-N 1 3 341.569 0.676 20 0 ECADHO CN(C)CCNC(=S)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000741873856 579778465 /nfs/dbraw/zinc/77/84/65/579778465.db2.gz FWZQGKYUQYLSLF-UHFFFAOYSA-N 1 3 341.569 0.962 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)N1CCCCC1 ZINC000842015169 589008340 /nfs/dbraw/zinc/00/83/40/589008340.db2.gz HGGPXSTVQLSQQK-AWEZNQCLSA-N 1 3 344.459 0.897 20 0 ECADHO CCN(C(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000891536206 586174977 /nfs/dbraw/zinc/17/49/77/586174977.db2.gz PUSLDFDLIIATAA-OAHLLOKOSA-N 1 3 339.484 0.323 20 0 ECADHO CN1CCN(CCCCNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891579509 586179023 /nfs/dbraw/zinc/17/90/23/586179023.db2.gz GFGMBVHJCLAQSH-BJWYYQGGSA-N 1 3 337.512 0.844 20 0 ECADHO COc1nc(N[C@@H]2CCN(C)[C@@H]2C)nc(N[C@@H]2CCN(C)[C@@H]2C)n1 ZINC000895741054 586201494 /nfs/dbraw/zinc/20/14/94/586201494.db2.gz XQVHVIFKVNLZSU-FDYHWXHSSA-N 1 3 335.456 0.889 20 0 ECADHO COc1nc(N[C@@H]2CCN(C)[C@@H]2C)nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC000895741054 586201495 /nfs/dbraw/zinc/20/14/95/586201495.db2.gz XQVHVIFKVNLZSU-FDYHWXHSSA-N 1 3 335.456 0.889 20 0 ECADHO COc1nc(N[C@@H]2CCN(C)[C@@H]2C)nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC000895741054 586201497 /nfs/dbraw/zinc/20/14/97/586201497.db2.gz XQVHVIFKVNLZSU-FDYHWXHSSA-N 1 3 335.456 0.889 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1(C)C ZINC000891884776 586203187 /nfs/dbraw/zinc/20/31/87/586203187.db2.gz LHFYCZVNFGPBCP-ZDUSSCGKSA-N 1 3 347.454 0.556 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CC2)CC1 ZINC000892156594 586225339 /nfs/dbraw/zinc/22/53/39/586225339.db2.gz LJCQKYMKHFXUKJ-AWEZNQCLSA-N 1 3 345.438 0.405 20 0 ECADHO CN(C)CC[NH+]1CCC(CNC(=O)C2CN([C@H]3CCOC3)C2)CC1 ZINC000896409880 586240468 /nfs/dbraw/zinc/24/04/68/586240468.db2.gz HUKJPLQRJVIYNZ-KRWDZBQOSA-N 1 3 338.496 0.097 20 0 ECADHO C[NH+](C)CCN1CCC(CNC(=O)C2CN([C@H]3CCOC3)C2)CC1 ZINC000896409880 586240469 /nfs/dbraw/zinc/24/04/69/586240469.db2.gz HUKJPLQRJVIYNZ-KRWDZBQOSA-N 1 3 338.496 0.097 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)NC[C@@H]2CCCN2CCCO)[NH2+]C1 ZINC000892383850 586261832 /nfs/dbraw/zinc/26/18/32/586261832.db2.gz NDUJLBFFRVENHL-GJZGRUSLSA-N 1 3 326.485 0.911 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000892481043 586268794 /nfs/dbraw/zinc/26/87/94/586268794.db2.gz LORBIZBSNHAWJP-LSDHHAIUSA-N 1 3 326.485 0.911 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892486264 586268959 /nfs/dbraw/zinc/26/89/59/586268959.db2.gz MLXMEEIQZXMEGA-AWEZNQCLSA-N 1 3 341.500 0.426 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000892602217 586276167 /nfs/dbraw/zinc/27/61/67/586276167.db2.gz XNKYHIUWFADVQG-XMTFNYHQSA-N 1 3 349.523 0.938 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000892789645 586291030 /nfs/dbraw/zinc/29/10/30/586291030.db2.gz RBYLLCJDGNDFOU-MSOLQXFVSA-N 1 3 343.475 0.390 20 0 ECADHO C[C@H]1CCN(CCNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000897435987 586318665 /nfs/dbraw/zinc/31/86/65/586318665.db2.gz SRYHREHPLQYNKN-DLBZAZTESA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H]1CCN(CCNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000897435987 586318667 /nfs/dbraw/zinc/31/86/67/586318667.db2.gz SRYHREHPLQYNKN-DLBZAZTESA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000897560187 586344563 /nfs/dbraw/zinc/34/45/63/586344563.db2.gz JNZATLMMGDVOKL-HUUCEWRRSA-N 1 3 347.463 0.575 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000897560857 586345192 /nfs/dbraw/zinc/34/51/92/586345192.db2.gz TXMAGRNFKSVNKI-LSDHHAIUSA-N 1 3 347.463 0.575 20 0 ECADHO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000897584290 586347371 /nfs/dbraw/zinc/34/73/71/586347371.db2.gz AGCIESNLLYQFBL-KRWDZBQOSA-N 1 3 325.453 0.012 20 0 ECADHO CC1(C)CCN(CCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000898588476 586433977 /nfs/dbraw/zinc/43/39/77/586433977.db2.gz JYJMYNVFHQNLSL-MRXNPFEDSA-N 1 3 338.496 0.959 20 0 ECADHO CC1(C)CCN(CCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000898588476 586433978 /nfs/dbraw/zinc/43/39/78/586433978.db2.gz JYJMYNVFHQNLSL-MRXNPFEDSA-N 1 3 338.496 0.959 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000899666059 586494319 /nfs/dbraw/zinc/49/43/19/586494319.db2.gz BNQKMSZOVQHALD-LSDHHAIUSA-N 1 3 342.553 0.980 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000900006856 586518198 /nfs/dbraw/zinc/51/81/98/586518198.db2.gz CCTWWMNJCJKDEO-UHFFFAOYSA-N 1 3 328.420 0.802 20 0 ECADHO COC(=O)C1CCCN(Cc2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1=O ZINC000900017174 586519042 /nfs/dbraw/zinc/51/90/42/586519042.db2.gz YDTYRZQGNFFNNF-PSEXLTFBSA-N 1 3 348.403 0.979 20 0 ECADHO COC(=O)C1CCCN(Cc2nc(CC3CC[NH2+]CC3)no2)C1=O ZINC000900017456 586519171 /nfs/dbraw/zinc/51/91/71/586519171.db2.gz IGSGWFNFSFZMOM-GFCCVEGCSA-N 1 3 336.392 0.523 20 0 ECADHO C=CC(=O)N(CC)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000900446040 586634720 /nfs/dbraw/zinc/63/47/20/586634720.db2.gz MBTWHBZCAXBTQI-UHFFFAOYSA-N 1 3 336.480 0.696 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCCCCC[NH3+])N1CCC[C@@H](C)C1 ZINC000843262367 589058265 /nfs/dbraw/zinc/05/82/65/589058265.db2.gz PMMNXTPIEUVMKT-HUUCEWRRSA-N 1 3 326.485 0.858 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900585959 586647993 /nfs/dbraw/zinc/64/79/93/586647993.db2.gz FFRBAACXIQETAP-DOTOQJQBSA-N 1 3 327.469 0.402 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900585959 586647995 /nfs/dbraw/zinc/64/79/95/586647995.db2.gz FFRBAACXIQETAP-DOTOQJQBSA-N 1 3 327.469 0.402 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867324206 589058902 /nfs/dbraw/zinc/05/89/02/589058902.db2.gz UWQLEFDQHBSMPW-JKSUJKDBSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867324206 589058905 /nfs/dbraw/zinc/05/89/05/589058905.db2.gz UWQLEFDQHBSMPW-JKSUJKDBSA-N 1 3 338.496 0.585 20 0 ECADHO [NH3+][C@@H]1CC[C@H](CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000903454958 586776852 /nfs/dbraw/zinc/77/68/52/586776852.db2.gz OWOIJJAFGZWNCO-ZNMIVQPWSA-N 1 3 331.482 0.240 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903587333 586791434 /nfs/dbraw/zinc/79/14/34/586791434.db2.gz SHJUVDBTEBCSKV-CYBMUJFWSA-N 1 3 343.497 0.419 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H]1C(F)(F)F ZINC000903736698 586805991 /nfs/dbraw/zinc/80/59/91/586805991.db2.gz ZLRUMUNCAPVTJY-QJPTWQEYSA-N 1 3 348.369 0.031 20 0 ECADHO C[C@H](NC[C@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccc(S(N)(=O)=O)cc1 ZINC000903791303 586812956 /nfs/dbraw/zinc/81/29/56/586812956.db2.gz RLWGMRGHRYPCDB-JGGQBBKZSA-N 1 3 339.461 0.753 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCOC2CCSCC2)C1 ZINC000903777701 586814257 /nfs/dbraw/zinc/81/42/57/586814257.db2.gz CNQUPGDXPHUYSY-AEGPPILISA-N 1 3 341.477 0.766 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H](CN3CCOCC3)C2)cnn1C ZINC000903909215 586824986 /nfs/dbraw/zinc/82/49/86/586824986.db2.gz RUECBDZDHDTZNX-MSOLQXFVSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cnn1C ZINC000903909215 586824988 /nfs/dbraw/zinc/82/49/88/586824988.db2.gz RUECBDZDHDTZNX-MSOLQXFVSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cnn1C ZINC000903909215 586824989 /nfs/dbraw/zinc/82/49/89/586824989.db2.gz RUECBDZDHDTZNX-MSOLQXFVSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@H](CN)C[N@H+](CCN2CCOCC2)CC2CC2)cnn1C ZINC000903933277 586827019 /nfs/dbraw/zinc/82/70/19/586827019.db2.gz NWWVZWCHTRQGMY-GOSISDBHSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@H](CN)C[N@@H+](CCN2CCOCC2)CC2CC2)cnn1C ZINC000903933277 586827020 /nfs/dbraw/zinc/82/70/20/586827020.db2.gz NWWVZWCHTRQGMY-GOSISDBHSA-N 1 3 349.523 0.890 20 0 ECADHO [NH3+][C@H]1C[C@@H](CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C1 ZINC000904336647 586835524 /nfs/dbraw/zinc/83/55/24/586835524.db2.gz ICDRTLPTRTXXGA-BETUJISGSA-N 1 3 333.461 0.611 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@]32CN)C1 ZINC000904970079 586851689 /nfs/dbraw/zinc/85/16/89/586851689.db2.gz FZHRQZQHCXJNHI-RKVPGOIHSA-N 1 3 336.480 0.705 20 0 ECADHO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000905000050 586857492 /nfs/dbraw/zinc/85/74/92/586857492.db2.gz IQDMYXXBDRHWRS-KDOFPFPSSA-N 1 3 343.431 0.070 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000806933713 587112478 /nfs/dbraw/zinc/11/24/78/587112478.db2.gz NPQXBPAIPOQKLR-UHFFFAOYSA-N 1 3 341.843 0.399 20 0 ECADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817920159 587392034 /nfs/dbraw/zinc/39/20/34/587392034.db2.gz CGRBGMNFKGCILY-GOSISDBHSA-N 1 3 343.431 0.085 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C[C@H]1[NH3+] ZINC000817926288 587392358 /nfs/dbraw/zinc/39/23/58/587392358.db2.gz DRMYVSKNXQJZJK-NVXWUHKLSA-N 1 3 346.475 0.425 20 0 ECADHO CCNCC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000844181925 589099906 /nfs/dbraw/zinc/09/99/06/589099906.db2.gz VJUBXJQRBRMZOX-INIZCTEOSA-N 1 3 332.448 0.610 20 0 ECADHO CCNCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000844181925 589099908 /nfs/dbraw/zinc/09/99/08/589099908.db2.gz VJUBXJQRBRMZOX-INIZCTEOSA-N 1 3 332.448 0.610 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]12CCOC2=O ZINC000820080892 587507893 /nfs/dbraw/zinc/50/78/93/587507893.db2.gz OGVHKQKACMZZLO-YOEHRIQHSA-N 1 3 340.468 0.750 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]12CCOC2=O ZINC000820080892 587507894 /nfs/dbraw/zinc/50/78/94/587507894.db2.gz OGVHKQKACMZZLO-YOEHRIQHSA-N 1 3 340.468 0.750 20 0 ECADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000820836825 587559281 /nfs/dbraw/zinc/55/92/81/587559281.db2.gz RSBYZLGBAULFFC-OAHLLOKOSA-N 1 3 328.453 0.733 20 0 ECADHO CN1CCC2(CC1)CN(C(=O)COC1CC[NH+](C)CC1)CCO2 ZINC000823673593 587737258 /nfs/dbraw/zinc/73/72/58/587737258.db2.gz OEBMYJNHBXXRHW-UHFFFAOYSA-N 1 3 325.453 0.420 20 0 ECADHO CCO[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN(C)C ZINC000831745703 588446688 /nfs/dbraw/zinc/44/66/88/588446688.db2.gz VFWGDMBAGBRIBI-IEBWSBKVSA-N 1 3 349.475 0.706 20 0 ECADHO CCO[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN(C)C ZINC000831745703 588446690 /nfs/dbraw/zinc/44/66/90/588446690.db2.gz VFWGDMBAGBRIBI-IEBWSBKVSA-N 1 3 349.475 0.706 20 0 ECADHO CC[N@H+](CCNC(=O)N1CCN(CCN(C)C)C(=O)C1)C(C)C ZINC000844946002 589126510 /nfs/dbraw/zinc/12/65/10/589126510.db2.gz OMQCYBITNJCQPK-UHFFFAOYSA-N 1 3 327.473 0.132 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CCN(CCN(C)C)C(=O)C1)C(C)C ZINC000844946002 589126512 /nfs/dbraw/zinc/12/65/12/589126512.db2.gz OMQCYBITNJCQPK-UHFFFAOYSA-N 1 3 327.473 0.132 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000848615640 589303862 /nfs/dbraw/zinc/30/38/62/589303862.db2.gz BZRMRKOKXQFGFA-GJYPPUQNSA-N 1 3 348.491 0.722 20 0 ECADHO CN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CCC([NH3+])CC1 ZINC000848616381 589304111 /nfs/dbraw/zinc/30/41/11/589304111.db2.gz KVCIDMLGYBANJZ-FJBKBRRZSA-N 1 3 336.480 0.848 20 0 ECADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCn1nc2n(c1=O)CCCC2 ZINC000849069452 589319221 /nfs/dbraw/zinc/31/92/21/589319221.db2.gz LBTOIHYNURCOPP-AWEZNQCLSA-N 1 3 349.483 0.369 20 0 ECADHO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CCN(C3CC3)C2)cn1 ZINC000849507523 589338300 /nfs/dbraw/zinc/33/83/00/589338300.db2.gz DAJFAFYOILLJDQ-XIRDDKMYSA-N 1 3 331.464 0.808 20 0 ECADHO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H]2CCN(C3CC3)C2)cn1 ZINC000849507523 589338301 /nfs/dbraw/zinc/33/83/01/589338301.db2.gz DAJFAFYOILLJDQ-XIRDDKMYSA-N 1 3 331.464 0.808 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000850833248 589386226 /nfs/dbraw/zinc/38/62/26/589386226.db2.gz IKWFNXBYGSRGOA-AWEZNQCLSA-N 1 3 348.447 0.952 20 0 ECADHO COC(=O)CCN1CC[C@@H](N2CCCC3(CC[NH+](C)CC3)C2)C1=O ZINC000852009064 589437860 /nfs/dbraw/zinc/43/78/60/589437860.db2.gz XLHBRACWEKTYMF-OAHLLOKOSA-N 1 3 337.464 0.958 20 0 ECADHO [NH3+]C[C@H]1CC(C(=O)NCC2(N3CCSCC3)CCCC2)=NO1 ZINC000852860655 589518980 /nfs/dbraw/zinc/51/89/80/589518980.db2.gz UEEPDUZWLZWBGQ-GFCCVEGCSA-N 1 3 326.466 0.568 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CSc1cccc[n+]1[O-] ZINC000855346289 589627746 /nfs/dbraw/zinc/62/77/46/589627746.db2.gz VKALFUPEFHEWJA-AWEZNQCLSA-N 1 3 340.493 0.800 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CSc1cccc[n+]1[O-] ZINC000855346289 589627748 /nfs/dbraw/zinc/62/77/48/589627748.db2.gz VKALFUPEFHEWJA-AWEZNQCLSA-N 1 3 340.493 0.800 20 0 ECADHO CN(CC[Si](C)(C)CCN(C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000859209879 589808008 /nfs/dbraw/zinc/80/80/08/589808008.db2.gz NYJHLIBGNBVJBV-KBPBESRZSA-N 1 3 340.544 0.335 20 0 ECADHO CN(CC[Si](C)(C)CC[N@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000859209879 589808011 /nfs/dbraw/zinc/80/80/11/589808011.db2.gz NYJHLIBGNBVJBV-KBPBESRZSA-N 1 3 340.544 0.335 20 0 ECADHO CN(CC[Si](C)(C)CC[N@@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000859209879 589808014 /nfs/dbraw/zinc/80/80/14/589808014.db2.gz NYJHLIBGNBVJBV-KBPBESRZSA-N 1 3 340.544 0.335 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000867601299 589813757 /nfs/dbraw/zinc/81/37/57/589813757.db2.gz UOHIDDAHYAYKAJ-JYJNAYRXSA-N 1 3 336.480 0.480 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000867601299 589813761 /nfs/dbraw/zinc/81/37/61/589813761.db2.gz UOHIDDAHYAYKAJ-JYJNAYRXSA-N 1 3 336.480 0.480 20 0 ECADHO CN1CCCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000861543593 589862575 /nfs/dbraw/zinc/86/25/75/589862575.db2.gz DGZAANKNUBNGKX-OAHLLOKOSA-N 1 3 345.447 0.245 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000861751379 589887176 /nfs/dbraw/zinc/88/71/76/589887176.db2.gz RRRXTXMKASPEEB-ZOBUZTSGSA-N 1 3 346.475 0.819 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])Cc1ccccc1 ZINC000861755819 589887959 /nfs/dbraw/zinc/88/79/59/589887959.db2.gz QCKFXELHIJINKZ-NVXWUHKLSA-N 1 3 348.491 0.861 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000861756024 589888311 /nfs/dbraw/zinc/88/83/11/589888311.db2.gz SJPZZIUMDRHMDC-GJZGRUSLSA-N 1 3 326.485 0.665 20 0 ECADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000868308691 589891051 /nfs/dbraw/zinc/89/10/51/589891051.db2.gz CNNMKUBTMZPTLF-HOCLYGCPSA-N 1 3 330.432 0.945 20 0 ECADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000868308691 589891053 /nfs/dbraw/zinc/89/10/53/589891053.db2.gz CNNMKUBTMZPTLF-HOCLYGCPSA-N 1 3 330.432 0.945 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(CN(C)C)cc2)C[NH2+]1 ZINC000861805973 589894068 /nfs/dbraw/zinc/89/40/68/589894068.db2.gz RSVDTHNBPSIQFV-PBHICJAKSA-N 1 3 346.475 0.963 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCC1(C)C ZINC000868404825 589902794 /nfs/dbraw/zinc/90/27/94/589902794.db2.gz GPYLENNMDOJOAF-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)(O)C[NH+]1CCC(NC[C@]23COC(=O)N2CCOC3)CC1 ZINC000872261829 590109345 /nfs/dbraw/zinc/10/93/45/590109345.db2.gz ZJZOPGUJQDRZNM-INIZCTEOSA-N 1 3 327.425 0.033 20 0 ECADHO O=C(N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1(NC2CC2)CCC1 ZINC000872305043 590113021 /nfs/dbraw/zinc/11/30/21/590113021.db2.gz RCKIKJVGENEIBH-MJBXVCDLSA-N 1 3 334.420 0.055 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872808124 590151118 /nfs/dbraw/zinc/15/11/18/590151118.db2.gz DKLWGPPASUOZBI-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250105 590187168 /nfs/dbraw/zinc/18/71/68/590187168.db2.gz PCTQQOAYUKPORZ-APHBMKBZSA-N 1 3 346.431 0.580 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1)N(C)C1CC1 ZINC000875172236 590278042 /nfs/dbraw/zinc/27/80/42/590278042.db2.gz XOQVLNXEPMMLSP-WRSVWVKZSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C1=CCN(C)CC1 ZINC000875362264 590296317 /nfs/dbraw/zinc/29/63/17/590296317.db2.gz YPTCNQASKRAOAK-BPUTZDHNSA-N 1 3 334.464 0.306 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C1=CCN(C)CC1 ZINC000875362264 590296319 /nfs/dbraw/zinc/29/63/19/590296319.db2.gz YPTCNQASKRAOAK-BPUTZDHNSA-N 1 3 334.464 0.306 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876879845 590421599 /nfs/dbraw/zinc/42/15/99/590421599.db2.gz DEULBHOIDFNFLF-QAPCUYQASA-N 1 3 337.464 0.910 20 0 ECADHO C[S@@](=O)C1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000877339397 590459085 /nfs/dbraw/zinc/45/90/85/590459085.db2.gz ZFHNQGIQJCDKQI-NPMXOYFQSA-N 1 3 335.473 0.318 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000881622485 590461154 /nfs/dbraw/zinc/46/11/54/590461154.db2.gz NEHROHQYWWZFEH-HNNXBMFYSA-N 1 3 336.480 0.803 20 0 ECADHO COC(=O)CCN(CC(=O)NC1CC[NH+](C)CC1)C1CCOCC1 ZINC000878151358 590501659 /nfs/dbraw/zinc/50/16/59/590501659.db2.gz AKGKBOSUPJJDIM-UHFFFAOYSA-N 1 3 341.452 0.241 20 0 ECADHO CN(CC(=O)NC1CC[NH+](C)CC1)CC(C)(C)CN1CCOCC1 ZINC000878296824 590513577 /nfs/dbraw/zinc/51/35/77/590513577.db2.gz XALBBTKHZXGUPS-UHFFFAOYSA-N 1 3 340.512 0.487 20 0 ECADHO C[NH+]1CCC2(CCN(CC(=O)N3CCC4(CC3)OCCO4)C2)CC1 ZINC000878865896 590547930 /nfs/dbraw/zinc/54/79/30/590547930.db2.gz DSJXUDOLIZHMSI-UHFFFAOYSA-N 1 3 337.464 0.770 20 0 ECADHO C[C@@H]1CN(S(=O)(=O)CCCN(C)C)CCN1c1cc[nH+]cc1 ZINC000882619317 590564526 /nfs/dbraw/zinc/56/45/26/590564526.db2.gz GFXMTUPWRNSRHB-CQSZACIVSA-N 1 3 326.466 0.874 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2CCCCCCNC(=O)CC2)CC1 ZINC000879253007 590573953 /nfs/dbraw/zinc/57/39/53/590573953.db2.gz FOBUORJZSZCYQY-UHFFFAOYSA-N 1 3 338.496 0.969 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCC1 ZINC000884876438 590639629 /nfs/dbraw/zinc/63/96/29/590639629.db2.gz BHZJOVFSIRDDQQ-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)[NH2+]C1 ZINC000884882437 590641229 /nfs/dbraw/zinc/64/12/29/590641229.db2.gz CKGAEIDNPAGJQB-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH2+]CCOc1cccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000884207659 590774809 /nfs/dbraw/zinc/77/48/09/590774809.db2.gz BTDLJLUNULZJFR-WBVHZDCISA-N 1 3 333.432 0.878 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCOCC1)C1C[NH+](C2CCOCC2)C1 ZINC000885890478 590778613 /nfs/dbraw/zinc/77/86/13/590778613.db2.gz FFFBVDNUYFCCAE-KRWDZBQOSA-N 1 3 337.464 0.467 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000884518317 590848825 /nfs/dbraw/zinc/84/88/25/590848825.db2.gz LLYDYLANTKBIKD-UKRRQHHQSA-N 1 3 348.447 0.191 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCCC(C)(C)[NH3+])Cc2ccccc2C1 ZINC000884567000 590858894 /nfs/dbraw/zinc/85/88/94/590858894.db2.gz ZFLHVEFVZVCSCD-UHFFFAOYSA-N 1 3 346.475 0.445 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C1 ZINC000884576257 590861677 /nfs/dbraw/zinc/86/16/77/590861677.db2.gz CSCNOFDFLYAUMP-HNNXBMFYSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)CCCCCC[NH3+])C1 ZINC000884576476 590861701 /nfs/dbraw/zinc/86/17/01/590861701.db2.gz ILPHPKJZTQCCEE-HNNXBMFYSA-N 1 3 326.485 0.812 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC[C@@H]21 ZINC000884690516 590897701 /nfs/dbraw/zinc/89/77/01/590897701.db2.gz CFWURNHUVOZUNI-PMPSAXMXSA-N 1 3 330.432 0.355 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC[C@@H]21 ZINC000884690516 590897702 /nfs/dbraw/zinc/89/77/02/590897702.db2.gz CFWURNHUVOZUNI-PMPSAXMXSA-N 1 3 330.432 0.355 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000884776056 590919502 /nfs/dbraw/zinc/91/95/02/590919502.db2.gz NVLRSBYZCKQTJI-ZHCJQAHYSA-N 1 3 348.491 0.766 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884785618 590922432 /nfs/dbraw/zinc/92/24/32/590922432.db2.gz AWHAODKMTOSDMW-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884834879 590931727 /nfs/dbraw/zinc/93/17/27/590931727.db2.gz GPUXIBWMKGDXLD-BFYDXBDKSA-N 1 3 346.475 0.676 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884834879 590931728 /nfs/dbraw/zinc/93/17/28/590931728.db2.gz GPUXIBWMKGDXLD-BFYDXBDKSA-N 1 3 346.475 0.676 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000887091355 590942489 /nfs/dbraw/zinc/94/24/89/590942489.db2.gz INIJQFADFLOQQZ-AWEZNQCLSA-N 1 3 347.463 0.562 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000887091763 590942962 /nfs/dbraw/zinc/94/29/62/590942962.db2.gz VSSNAAWODBFDOP-KBPBESRZSA-N 1 3 331.420 0.068 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000887093439 590943147 /nfs/dbraw/zinc/94/31/47/590943147.db2.gz KXISRGQDHMOENV-QLFBSQMISA-N 1 3 345.447 0.172 20 0 ECADHO COC1CC[NH+](C(C)(C)CN2C(=O)N[C@H](CN(C)C)C2=O)CC1 ZINC000925308735 611468432 /nfs/dbraw/zinc/46/84/32/611468432.db2.gz ZZZVEMRJCSYICG-CYBMUJFWSA-N 1 3 326.441 0.358 20 0 ECADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000925569602 611487822 /nfs/dbraw/zinc/48/78/22/611487822.db2.gz HHTFXTWAZKTKQO-BZUAXINKSA-N 1 3 338.496 0.415 20 0 ECADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCN[C@H]2C)N(c2cc(N(C)C)ncn2)C1 ZINC000925730865 611495858 /nfs/dbraw/zinc/49/58/58/611495858.db2.gz RDWKPOWMSKNURI-VGWMRTNUSA-N 1 3 348.495 0.866 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC[NH2+]C(C)(C)C ZINC000931516276 611547270 /nfs/dbraw/zinc/54/72/70/611547270.db2.gz RCNUDUHRQLEACM-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO CCO[C@H](CNC(=O)Nc1ccnn1CCN(C)C)C[NH+](C)C ZINC000931568082 611551053 /nfs/dbraw/zinc/55/10/53/611551053.db2.gz QAKOGLQEWFKOLZ-CYBMUJFWSA-N 1 3 326.445 0.533 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000948417272 611583501 /nfs/dbraw/zinc/58/35/01/611583501.db2.gz BQAVHKZVCQEZTO-IUODEOHRSA-N 1 3 347.463 0.566 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000948417272 611583504 /nfs/dbraw/zinc/58/35/04/611583504.db2.gz BQAVHKZVCQEZTO-IUODEOHRSA-N 1 3 347.463 0.566 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCS1 ZINC000932664845 611651625 /nfs/dbraw/zinc/65/16/25/611651625.db2.gz GUYKIIIVIJRJLU-UONOGXRCSA-N 1 3 344.525 0.339 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000926378869 608812405 /nfs/dbraw/zinc/81/24/05/608812405.db2.gz DGGMKRCHMXEUFB-YJBOKZPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000066246628 608939347 /nfs/dbraw/zinc/93/93/47/608939347.db2.gz DLHYRZIMYSTSFL-UONOGXRCSA-N 1 3 325.457 0.012 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000937949710 609415394 /nfs/dbraw/zinc/41/53/94/609415394.db2.gz WIXXQJCMQLQHFK-HRCADAONSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000937949710 609415395 /nfs/dbraw/zinc/41/53/95/609415395.db2.gz WIXXQJCMQLQHFK-HRCADAONSA-N 1 3 338.496 0.917 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000938008354 609457538 /nfs/dbraw/zinc/45/75/38/609457538.db2.gz PAYMDRGDWRWDSP-DZGCQCFKSA-N 1 3 331.420 0.011 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000910595635 609737295 /nfs/dbraw/zinc/73/72/95/609737295.db2.gz AAHWXBNHTVMCLJ-UHFFFAOYSA-N 1 3 326.485 0.587 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+])N1CCCCC1 ZINC000910954505 609782339 /nfs/dbraw/zinc/78/23/39/609782339.db2.gz AHLXWOIHIGZPDH-KSSFIOAISA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000910969770 609785730 /nfs/dbraw/zinc/78/57/30/609785730.db2.gz GWHWFMJTOXVNDB-SJORKVTESA-N 1 3 346.475 0.473 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000911027556 609791776 /nfs/dbraw/zinc/79/17/76/609791776.db2.gz DLVGSWNPULCPGV-JYJNAYRXSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)N1CCC(C)CC1 ZINC000911089813 609807773 /nfs/dbraw/zinc/80/77/73/609807773.db2.gz DXSLLEJHVGJPAT-CRAIPNDOSA-N 1 3 336.480 0.578 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000911214601 609826788 /nfs/dbraw/zinc/82/67/88/609826788.db2.gz IMGUOHNSUUDKEJ-YALNPMBYSA-N 1 3 342.443 0.470 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000911214601 609826789 /nfs/dbraw/zinc/82/67/89/609826789.db2.gz IMGUOHNSUUDKEJ-YALNPMBYSA-N 1 3 342.443 0.470 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911223266 609828935 /nfs/dbraw/zinc/82/89/35/609828935.db2.gz NEEDYLSHRWTWCQ-QAPCUYQASA-N 1 3 334.464 0.332 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)N1CCN(C)CC1 ZINC000913997847 609841872 /nfs/dbraw/zinc/84/18/72/609841872.db2.gz ALAOAPIUDSTAMQ-OAGGEKHMSA-N 1 3 325.501 0.650 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)N1CCN(C)CC1 ZINC000913997847 609841875 /nfs/dbraw/zinc/84/18/75/609841875.db2.gz ALAOAPIUDSTAMQ-OAGGEKHMSA-N 1 3 325.501 0.650 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)N1CCN(C)CC1 ZINC000913998594 609841986 /nfs/dbraw/zinc/84/19/86/609841986.db2.gz OAAFXVOQHJDGLH-OAHLLOKOSA-N 1 3 325.501 0.652 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1)C(C)C ZINC000911334142 609850134 /nfs/dbraw/zinc/85/01/34/609850134.db2.gz XMMOAGVGJJOGEP-OAHLLOKOSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911334152 609850153 /nfs/dbraw/zinc/85/01/53/609850153.db2.gz XOSVUHATBPWEEY-JKSUJKDBSA-N 1 3 338.496 0.871 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543751 609851312 /nfs/dbraw/zinc/85/13/12/609851312.db2.gz BGRUMUBDSXVOHC-MRXNPFEDSA-N 1 3 348.491 0.770 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000911534611 609887330 /nfs/dbraw/zinc/88/73/30/609887330.db2.gz VOLNMZPFEYOVME-HDICACEKSA-N 1 3 336.480 0.293 20 0 ECADHO CN1CC[C@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000915543112 609915375 /nfs/dbraw/zinc/91/53/75/609915375.db2.gz UFGGEVLOIPUKMW-KRWDZBQOSA-N 1 3 346.479 0.597 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000939881002 610160536 /nfs/dbraw/zinc/16/05/36/610160536.db2.gz XCJSEZUJHWRVEI-FVQBIDKESA-N 1 3 338.496 0.632 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000940407971 610277573 /nfs/dbraw/zinc/27/75/73/610277573.db2.gz MEYJYOJGIVSSBY-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000940622002 610313969 /nfs/dbraw/zinc/31/39/69/610313969.db2.gz IXPRYWHFJHALOO-OAGGEKHMSA-N 1 3 336.480 0.386 20 0 ECADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942798982 610626346 /nfs/dbraw/zinc/62/63/46/610626346.db2.gz QVUDESODBNFPDL-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942798982 610626349 /nfs/dbraw/zinc/62/63/49/610626349.db2.gz QVUDESODBNFPDL-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@@]([NH3+])(CO)C1)c1ccccc1 ZINC000923472784 611249228 /nfs/dbraw/zinc/24/92/28/611249228.db2.gz NANMKYPZFFVAJC-WMZOPIPTSA-N 1 3 334.464 0.191 20 0 ECADHO COCCOc1cccc(CNC(=O)CN2CC[C@@H](CC[NH3+])C2)c1 ZINC000923492488 611251402 /nfs/dbraw/zinc/25/14/02/611251402.db2.gz PSZMOPDAOUMVRD-OAHLLOKOSA-N 1 3 335.448 0.999 20 0 ECADHO C[C@@H]1CN(CC(=O)NCCCN2CCCCCC2=O)CC[C@@H]1C[NH3+] ZINC000923497141 611251803 /nfs/dbraw/zinc/25/18/03/611251803.db2.gz FPLJFQGUIMBISF-HZPDHXFCSA-N 1 3 338.496 0.812 20 0 ECADHO COC(=O)[C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]([C@@H]2CCCO2)C1 ZINC000923550981 611260953 /nfs/dbraw/zinc/26/09/53/611260953.db2.gz IQFGOZHMKPJPAT-QXSJWSMHSA-N 1 3 338.448 0.798 20 0 ECADHO CN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CCOCCO ZINC000922116559 611336619 /nfs/dbraw/zinc/33/66/19/611336619.db2.gz IGYDLTVNNTXIFR-KRWDZBQOSA-N 1 3 341.496 0.840 20 0 ECADHO CN(CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CCOCCO ZINC000922116559 611336622 /nfs/dbraw/zinc/33/66/22/611336622.db2.gz IGYDLTVNNTXIFR-KRWDZBQOSA-N 1 3 341.496 0.840 20 0 ECADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)C2CNC2)cc1 ZINC000923654658 611336692 /nfs/dbraw/zinc/33/66/92/611336692.db2.gz IMCPHWKNGBSZRU-HOTGVXAUSA-N 1 3 339.461 0.422 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC000951237872 612096143 /nfs/dbraw/zinc/09/61/43/612096143.db2.gz GRUZNKJMKNWZKC-AWEZNQCLSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954513328 612352649 /nfs/dbraw/zinc/35/26/49/612352649.db2.gz UBIZNOXJJINCDL-HNNXBMFYSA-N 1 3 347.463 0.884 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954513328 612352656 /nfs/dbraw/zinc/35/26/56/612352656.db2.gz UBIZNOXJJINCDL-HNNXBMFYSA-N 1 3 347.463 0.884 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904925 612420567 /nfs/dbraw/zinc/42/05/67/612420567.db2.gz NFNVIDAUXQCPIL-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904925 612420568 /nfs/dbraw/zinc/42/05/68/612420568.db2.gz NFNVIDAUXQCPIL-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000955338001 612457793 /nfs/dbraw/zinc/45/77/93/612457793.db2.gz ARGOXFGAPCBSAH-HUUCEWRRSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000955338001 612457797 /nfs/dbraw/zinc/45/77/97/612457797.db2.gz ARGOXFGAPCBSAH-HUUCEWRRSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000955338001 612457801 /nfs/dbraw/zinc/45/78/01/612457801.db2.gz ARGOXFGAPCBSAH-HUUCEWRRSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000955338001 612457803 /nfs/dbraw/zinc/45/78/03/612457803.db2.gz ARGOXFGAPCBSAH-HUUCEWRRSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000955341461 612464162 /nfs/dbraw/zinc/46/41/62/612464162.db2.gz PMYZQIPFMBZJOW-CQSZACIVSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)C12CCC[NH+](CCC1)C2)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954644028 612483974 /nfs/dbraw/zinc/48/39/74/612483974.db2.gz ONYKOPRDJSEQCZ-INIZCTEOSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954651471 612493463 /nfs/dbraw/zinc/49/34/63/612493463.db2.gz GHAXQDGWARASPC-RDJZCZTQSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954651471 612493471 /nfs/dbraw/zinc/49/34/71/612493471.db2.gz GHAXQDGWARASPC-RDJZCZTQSA-N 1 3 348.491 0.768 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000954662207 612508054 /nfs/dbraw/zinc/50/80/54/612508054.db2.gz XNMQBLQDMBZJAZ-AWEZNQCLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000951731998 612525103 /nfs/dbraw/zinc/52/51/03/612525103.db2.gz JNHLTTFUYSVFBX-KCQAQPDRSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000951731998 612525108 /nfs/dbraw/zinc/52/51/08/612525108.db2.gz JNHLTTFUYSVFBX-KCQAQPDRSA-N 1 3 333.436 0.400 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000955445697 612595569 /nfs/dbraw/zinc/59/55/69/612595569.db2.gz OKKPDKZMXZFTEF-HOCLYGCPSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000955445697 612595571 /nfs/dbraw/zinc/59/55/71/612595571.db2.gz OKKPDKZMXZFTEF-HOCLYGCPSA-N 1 3 345.447 0.638 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC000954268729 612812180 /nfs/dbraw/zinc/81/21/80/612812180.db2.gz CRJVIQLWJBZIPM-INIZCTEOSA-N 1 3 338.496 0.728 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000954319697 612849406 /nfs/dbraw/zinc/84/94/06/612849406.db2.gz DRLQPZVVAPRJKI-DOTOQJQBSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000954319697 612849408 /nfs/dbraw/zinc/84/94/08/612849408.db2.gz DRLQPZVVAPRJKI-DOTOQJQBSA-N 1 3 348.491 0.768 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000954357615 612874637 /nfs/dbraw/zinc/87/46/37/612874637.db2.gz YPFUULJLBNKLIY-JKSUJKDBSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@@H](F)CN(CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098561034 735457832 /nfs/dbraw/zinc/45/78/32/735457832.db2.gz NOKKWHXXDVXDOP-HUUCEWRRSA-N 1 3 329.460 0.972 20 0 ECADHO CC[C@@H](F)CN(CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098561034 735457836 /nfs/dbraw/zinc/45/78/36/735457836.db2.gz NOKKWHXXDVXDOP-HUUCEWRRSA-N 1 3 329.460 0.972 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972005692 735490787 /nfs/dbraw/zinc/49/07/87/735490787.db2.gz NNPTVSHZLFGODI-IAGOWNOFSA-N 1 3 346.479 0.685 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1CNCc1cnnn1C)[NH+](C)C ZINC001024991514 738466635 /nfs/dbraw/zinc/46/66/35/738466635.db2.gz DKHKWKWZBFDBGQ-ZBFHGGJFSA-N 1 3 336.484 0.872 20 0 ECADHO CC(C)(C(=O)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001025037474 738522752 /nfs/dbraw/zinc/52/27/52/738522752.db2.gz FVGPZQXYSMWRRP-HUUCEWRRSA-N 1 3 336.480 0.720 20 0 ECADHO C[NH+](C)CCc1ccccc1C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000969458272 731903993 /nfs/dbraw/zinc/90/39/93/731903993.db2.gz OFYMWRIEIVYIGI-NVXWUHKLSA-N 1 3 344.459 0.483 20 0 ECADHO Cn1cc(CN2CC[C@@]3(CCN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)cn1 ZINC001041829375 782291129 /nfs/dbraw/zinc/29/11/29/782291129.db2.gz STQIYHRZZGBRNB-FUHWJXTLSA-N 1 3 331.464 0.796 20 0 ECADHO Cn1cc(CN2CC[C@@]3(CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)cn1 ZINC001041829375 782291133 /nfs/dbraw/zinc/29/11/33/782291133.db2.gz STQIYHRZZGBRNB-FUHWJXTLSA-N 1 3 331.464 0.796 20 0 ECADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3cccc(N(C)C)n3)C[C@H]1C2 ZINC001167230052 733074209 /nfs/dbraw/zinc/07/42/09/733074209.db2.gz YUQFSFXYVOEGQI-NPSOMJIGSA-N 1 3 330.432 0.983 20 0 ECADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CCOCCO)CC2)C1 ZINC001167232719 733076973 /nfs/dbraw/zinc/07/69/73/733076973.db2.gz NRALCIMIDZAMIQ-HNNXBMFYSA-N 1 3 327.469 0.213 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CCOCCO)CC2)C1 ZINC001167232720 733077126 /nfs/dbraw/zinc/07/71/26/733077126.db2.gz NRALCIMIDZAMIQ-OAHLLOKOSA-N 1 3 327.469 0.213 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167236297 733083060 /nfs/dbraw/zinc/08/30/60/733083060.db2.gz JVPYHNQBMVMNQD-HOCLYGCPSA-N 1 3 348.495 0.872 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236297 733083065 /nfs/dbraw/zinc/08/30/65/733083065.db2.gz JVPYHNQBMVMNQD-HOCLYGCPSA-N 1 3 348.495 0.872 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC001167260677 733104935 /nfs/dbraw/zinc/10/49/35/733104935.db2.gz DLJGYRXDBACMDM-OLZOCXBDSA-N 1 3 338.452 0.008 20 0 ECADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C[C@H]2CCc3ncnn32)C1 ZINC000970372088 733428390 /nfs/dbraw/zinc/42/83/90/733428390.db2.gz LPNDZEBGBVDVQI-CZUORRHYSA-N 1 3 346.479 0.544 20 0 ECADHO CCn1nncc1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001025160072 738738583 /nfs/dbraw/zinc/73/85/83/738738583.db2.gz XDFRADFJXAWXTD-HUUCEWRRSA-N 1 3 334.468 0.720 20 0 ECADHO CCn1nncc1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001025160072 738738587 /nfs/dbraw/zinc/73/85/87/738738587.db2.gz XDFRADFJXAWXTD-HUUCEWRRSA-N 1 3 334.468 0.720 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)CN2CCCC2)C1=O ZINC001025160754 738738790 /nfs/dbraw/zinc/73/87/90/738738790.db2.gz SSMYEAHITIVMTK-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NC)C1 ZINC001210585014 733868158 /nfs/dbraw/zinc/86/81/58/733868158.db2.gz NYHHKJUOEARCHA-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NC)C1 ZINC001210585014 733868162 /nfs/dbraw/zinc/86/81/62/733868162.db2.gz NYHHKJUOEARCHA-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC000970718339 733869062 /nfs/dbraw/zinc/86/90/62/733869062.db2.gz SFWHMSFMZLTGEA-OAHLLOKOSA-N 1 3 343.493 0.098 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000970788520 733941016 /nfs/dbraw/zinc/94/10/16/733941016.db2.gz OAFSKBRHRPXCNR-MRXNPFEDSA-N 1 3 342.447 0.844 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)C[NH+](CC)CC ZINC001067478203 734316394 /nfs/dbraw/zinc/31/63/94/734316394.db2.gz USBBXEPWOKUDAX-UHFFFAOYSA-N 1 3 328.501 0.977 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001104346788 734480316 /nfs/dbraw/zinc/48/03/16/734480316.db2.gz JCJJIWQZLMONGB-IIAWOOMASA-N 1 3 336.484 0.730 20 0 ECADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1)C1CCC1 ZINC000971686204 734951354 /nfs/dbraw/zinc/95/13/54/734951354.db2.gz ADZUFLAJNBFGLD-QGZVFWFLSA-N 1 3 333.480 0.980 20 0 ECADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1)C1CCC1 ZINC000971686204 734951356 /nfs/dbraw/zinc/95/13/56/734951356.db2.gz ADZUFLAJNBFGLD-QGZVFWFLSA-N 1 3 333.480 0.980 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000972330779 735955871 /nfs/dbraw/zinc/95/58/71/735955871.db2.gz HEATWWXUPHWFDG-DOTOQJQBSA-N 1 3 346.475 0.902 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000972330779 735955873 /nfs/dbraw/zinc/95/58/73/735955873.db2.gz HEATWWXUPHWFDG-DOTOQJQBSA-N 1 3 346.475 0.902 20 0 ECADHO COc1ccc(CNCCCNC(=O)CC2CC[NH+](C)CC2)nn1 ZINC001167655108 736316137 /nfs/dbraw/zinc/31/61/37/736316137.db2.gz FJOZBSOWHCPBMJ-UHFFFAOYSA-N 1 3 335.452 0.813 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001022973446 736346269 /nfs/dbraw/zinc/34/62/69/736346269.db2.gz LEWHPZCPPPAZAB-AEGPPILISA-N 1 3 333.436 0.564 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001022973446 736346272 /nfs/dbraw/zinc/34/62/72/736346272.db2.gz LEWHPZCPPPAZAB-AEGPPILISA-N 1 3 333.436 0.564 20 0 ECADHO C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001087237015 736493516 /nfs/dbraw/zinc/49/35/16/736493516.db2.gz XRKOFGVVQBRBRJ-OWCLPIDISA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)c1 ZINC001023126137 736521454 /nfs/dbraw/zinc/52/14/54/736521454.db2.gz JRRRYQVSDUEUBV-BBWFWOEESA-N 1 3 344.459 0.829 20 0 ECADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001100651700 737182584 /nfs/dbraw/zinc/18/25/84/737182584.db2.gz DXSFGYOSRCIFEM-LEOMRAHMSA-N 1 3 348.491 0.956 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC001087257553 737412747 /nfs/dbraw/zinc/41/27/47/737412747.db2.gz XZPSIRYROWBVCD-CYBMUJFWSA-N 1 3 335.452 0.886 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC001087257553 737412749 /nfs/dbraw/zinc/41/27/49/737412749.db2.gz XZPSIRYROWBVCD-CYBMUJFWSA-N 1 3 335.452 0.886 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)n1 ZINC001087257850 737414507 /nfs/dbraw/zinc/41/45/07/737414507.db2.gz LGSRYNPPJLQKFZ-KGLIPLIRSA-N 1 3 333.436 0.925 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)n1 ZINC001087257850 737414508 /nfs/dbraw/zinc/41/45/08/737414508.db2.gz LGSRYNPPJLQKFZ-KGLIPLIRSA-N 1 3 333.436 0.925 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972741481 737583096 /nfs/dbraw/zinc/58/30/96/737583096.db2.gz CJGSUTWMMDBLEK-SWLSCSKDSA-N 1 3 331.420 0.182 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972741481 737583098 /nfs/dbraw/zinc/58/30/98/737583098.db2.gz CJGSUTWMMDBLEK-SWLSCSKDSA-N 1 3 331.420 0.182 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001024026418 737639706 /nfs/dbraw/zinc/63/97/06/737639706.db2.gz CYRLVCROWXRVDL-HOCLYGCPSA-N 1 3 336.484 0.730 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H](CNCc2nncn2C)C1)[NH+](C)C ZINC001024139544 737753265 /nfs/dbraw/zinc/75/32/65/737753265.db2.gz KRBNKUALXXPUNL-GOEBONIOSA-N 1 3 336.484 0.730 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001024157313 737788392 /nfs/dbraw/zinc/78/83/92/737788392.db2.gz ZBIGRQRUQVCYNL-CVEARBPZSA-N 1 3 348.495 0.968 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024237957 737844580 /nfs/dbraw/zinc/84/45/80/737844580.db2.gz XODVTHHFFSMSQI-GJZGRUSLSA-N 1 3 334.468 0.485 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024237957 737844583 /nfs/dbraw/zinc/84/45/83/737844583.db2.gz XODVTHHFFSMSQI-GJZGRUSLSA-N 1 3 334.468 0.485 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024238150 737844630 /nfs/dbraw/zinc/84/46/30/737844630.db2.gz YHFKJYNEJCEWBG-JKSUJKDBSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024238150 737844635 /nfs/dbraw/zinc/84/46/35/737844635.db2.gz YHFKJYNEJCEWBG-JKSUJKDBSA-N 1 3 348.495 0.968 20 0 ECADHO CC(C)N(C)C(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678183 738004952 /nfs/dbraw/zinc/00/49/52/738004952.db2.gz BXNNWJSEOIPORZ-FHERZECASA-N 1 3 338.496 0.679 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000973295731 739060762 /nfs/dbraw/zinc/06/07/62/739060762.db2.gz OQHONFYMCULAOT-FPCVCCKLSA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973295731 739060767 /nfs/dbraw/zinc/06/07/67/739060767.db2.gz OQHONFYMCULAOT-FPCVCCKLSA-N 1 3 336.480 0.576 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000973311635 739088046 /nfs/dbraw/zinc/08/80/46/739088046.db2.gz MPUSGUFPTSIRMU-RBSFLKMASA-N 1 3 345.447 0.366 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000973366465 739151646 /nfs/dbraw/zinc/15/16/46/739151646.db2.gz YRUMHVFAUVAVJQ-BZUAXINKSA-N 1 3 348.491 0.720 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000988006670 751425941 /nfs/dbraw/zinc/42/59/41/751425941.db2.gz CQZVCHFLAPNQFS-JKSUJKDBSA-N 1 3 336.480 0.341 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000988006670 751425947 /nfs/dbraw/zinc/42/59/47/751425947.db2.gz CQZVCHFLAPNQFS-JKSUJKDBSA-N 1 3 336.480 0.341 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001025778837 739936867 /nfs/dbraw/zinc/93/68/67/739936867.db2.gz IUBAUGOIGOXODO-XFIYOXNOSA-N 1 3 334.464 0.136 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001025778837 739936868 /nfs/dbraw/zinc/93/68/68/739936868.db2.gz IUBAUGOIGOXODO-XFIYOXNOSA-N 1 3 334.464 0.136 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001025817942 739991778 /nfs/dbraw/zinc/99/17/78/739991778.db2.gz GKVJLMWGOSJEHG-ZOFXXKQRSA-N 1 3 344.463 0.341 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001025817942 739991779 /nfs/dbraw/zinc/99/17/79/739991779.db2.gz GKVJLMWGOSJEHG-ZOFXXKQRSA-N 1 3 344.463 0.341 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025817941 739992103 /nfs/dbraw/zinc/99/21/03/739992103.db2.gz GKVJLMWGOSJEHG-UUAJXVIYSA-N 1 3 344.463 0.341 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025817941 739992108 /nfs/dbraw/zinc/99/21/08/739992108.db2.gz GKVJLMWGOSJEHG-UUAJXVIYSA-N 1 3 344.463 0.341 20 0 ECADHO Cc1noc(CCCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001026044250 740329211 /nfs/dbraw/zinc/32/92/11/740329211.db2.gz MRHRDFJKRQCPFW-DHWSYENGSA-N 1 3 347.463 0.555 20 0 ECADHO Cc1noc(CCCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001026044250 740329215 /nfs/dbraw/zinc/32/92/15/740329215.db2.gz MRHRDFJKRQCPFW-DHWSYENGSA-N 1 3 347.463 0.555 20 0 ECADHO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001026043249 740335340 /nfs/dbraw/zinc/33/53/40/740335340.db2.gz GSYQPPRURWDTCV-QDEPRCCBSA-N 1 3 327.444 0.626 20 0 ECADHO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001026043249 740335341 /nfs/dbraw/zinc/33/53/41/740335341.db2.gz GSYQPPRURWDTCV-QDEPRCCBSA-N 1 3 327.444 0.626 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026043615 740336237 /nfs/dbraw/zinc/33/62/37/740336237.db2.gz TXAGUUAYRHSWBQ-YUYGLALOSA-N 1 3 344.463 0.154 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026043615 740336242 /nfs/dbraw/zinc/33/62/42/740336242.db2.gz TXAGUUAYRHSWBQ-YUYGLALOSA-N 1 3 344.463 0.154 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C[C@@H](O)c4ccccc4)C[C@H]32)C1 ZINC001026145816 740419593 /nfs/dbraw/zinc/41/95/93/740419593.db2.gz MCOAEDMAJQQHHU-SFFUCWETSA-N 1 3 329.444 0.718 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C[C@@H](O)c4ccccc4)C[C@H]32)C1 ZINC001026145816 740419596 /nfs/dbraw/zinc/41/95/96/740419596.db2.gz MCOAEDMAJQQHHU-SFFUCWETSA-N 1 3 329.444 0.718 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001026148646 740423432 /nfs/dbraw/zinc/42/34/32/740423432.db2.gz WYNJLAOYTBQTPY-AZLANHEYSA-N 1 3 345.491 0.882 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001026148646 740423433 /nfs/dbraw/zinc/42/34/33/740423433.db2.gz WYNJLAOYTBQTPY-AZLANHEYSA-N 1 3 345.491 0.882 20 0 ECADHO Cn1ncc(CN[C@H]2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)n1 ZINC001026349190 740987513 /nfs/dbraw/zinc/98/75/13/740987513.db2.gz XLRSJWZLTRRRMH-UAGQMJEPSA-N 1 3 346.479 0.484 20 0 ECADHO O=C(C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]12)N1CCC1 ZINC001026365616 741063782 /nfs/dbraw/zinc/06/37/82/741063782.db2.gz YRFOFUCWPWLIRV-BPLDGKMQSA-N 1 3 331.420 0.011 20 0 ECADHO Cn1cc(CN[C@@H]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]23)nn1 ZINC001026399912 741237857 /nfs/dbraw/zinc/23/78/57/741237857.db2.gz AOWWRJGPHDVADT-VNQPRFMTSA-N 1 3 344.463 0.238 20 0 ECADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067053 741285715 /nfs/dbraw/zinc/28/57/15/741285715.db2.gz LFFYFZBMQVXXDT-QLFBSQMISA-N 1 3 326.485 0.535 20 0 ECADHO O=C(CN1CCCC1)N1C[C@@H]2CC[C@H]([NH2+]Cc3cnns3)[C@@H]2C1 ZINC001026420603 741335720 /nfs/dbraw/zinc/33/57/20/741335720.db2.gz KATZVZXPOYQGBF-CFVMTHIKSA-N 1 3 335.477 0.961 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C1 ZINC001026426332 741354366 /nfs/dbraw/zinc/35/43/66/741354366.db2.gz KGZJQRXVQVVTNQ-UAGQMJEPSA-N 1 3 344.459 0.674 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1)C1CC1 ZINC001105259904 741582576 /nfs/dbraw/zinc/58/25/76/741582576.db2.gz RJNGOBZOOZTZDH-QGZVFWFLSA-N 1 3 346.479 0.891 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259867 741586758 /nfs/dbraw/zinc/58/67/58/741586758.db2.gz PSRDVIFKNZMHPW-MRXNPFEDSA-N 1 3 334.468 0.747 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]C[C@H]3CCc4ncnn43)C2)CCC1 ZINC001026885918 742026244 /nfs/dbraw/zinc/02/62/44/742026244.db2.gz OXGIUPWFNYKIFK-LSDHHAIUSA-N 1 3 346.479 0.688 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)on1 ZINC001026889087 742028677 /nfs/dbraw/zinc/02/86/77/742028677.db2.gz RXVBZCQFVNFVTC-MLGOLLRUSA-N 1 3 336.436 0.962 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC001026891542 742035223 /nfs/dbraw/zinc/03/52/23/742035223.db2.gz XRZBNOJGKZNRKL-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001026938853 742131799 /nfs/dbraw/zinc/13/17/99/742131799.db2.gz PYJDZQUMENNCDG-HNNXBMFYSA-N 1 3 331.464 0.987 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027064311 742433576 /nfs/dbraw/zinc/43/35/76/742433576.db2.gz BRFBCZIQNUOHLX-HOCLYGCPSA-N 1 3 348.495 0.886 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001027064978 742435370 /nfs/dbraw/zinc/43/53/70/742435370.db2.gz NZGSSQDLQCZTBB-NVXWUHKLSA-N 1 3 346.475 0.665 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC000996995181 743106249 /nfs/dbraw/zinc/10/62/49/743106249.db2.gz LXZBRWADJPDYSX-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1)N(C)C ZINC000997017314 743136129 /nfs/dbraw/zinc/13/61/29/743136129.db2.gz ZNQSBKYULHUBKW-AWEZNQCLSA-N 1 3 338.452 0.056 20 0 ECADHO Cn1cc(CNC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)nn1 ZINC001027234492 743247208 /nfs/dbraw/zinc/24/72/08/743247208.db2.gz XPLTXGOYYSNQNI-OAHLLOKOSA-N 1 3 334.468 0.629 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000997238504 743391834 /nfs/dbraw/zinc/39/18/34/743391834.db2.gz NOOBGAHFYZUJCE-HNNXBMFYSA-N 1 3 347.463 0.851 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000997238504 743391839 /nfs/dbraw/zinc/39/18/39/743391839.db2.gz NOOBGAHFYZUJCE-HNNXBMFYSA-N 1 3 347.463 0.851 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC000997242636 743397310 /nfs/dbraw/zinc/39/73/10/743397310.db2.gz LTVFLWRHRIKVPK-CQSZACIVSA-N 1 3 347.463 0.710 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC000997242636 743397318 /nfs/dbraw/zinc/39/73/18/743397318.db2.gz LTVFLWRHRIKVPK-CQSZACIVSA-N 1 3 347.463 0.710 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000997299569 743462435 /nfs/dbraw/zinc/46/24/35/743462435.db2.gz PQXRZURZNBCPEP-ZDUSSCGKSA-N 1 3 333.436 0.518 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000997299569 743462441 /nfs/dbraw/zinc/46/24/41/743462441.db2.gz PQXRZURZNBCPEP-ZDUSSCGKSA-N 1 3 333.436 0.518 20 0 ECADHO CC[C@H](C(N)=O)N1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997395293 743566676 /nfs/dbraw/zinc/56/66/76/743566676.db2.gz GLKGTMABINRGTR-UKRRQHHQSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001020586208 751844053 /nfs/dbraw/zinc/84/40/53/751844053.db2.gz IDVQKKPSJHAHOM-FZKCQIBNSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)C1 ZINC001020588615 751849752 /nfs/dbraw/zinc/84/97/52/751849752.db2.gz GYOYZPUXCXEZLE-VGWMRTNUSA-N 1 3 336.480 0.481 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC000997611471 743708218 /nfs/dbraw/zinc/70/82/18/743708218.db2.gz FUZLDQISWDQNAO-HZPDHXFCSA-N 1 3 346.479 0.688 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)n[nH]1 ZINC001020592631 751864863 /nfs/dbraw/zinc/86/48/63/751864863.db2.gz KNDBLVAPFUMDGI-XUXIUFHCSA-N 1 3 334.468 0.863 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)n[nH]1 ZINC001020592631 751864872 /nfs/dbraw/zinc/86/48/72/751864872.db2.gz KNDBLVAPFUMDGI-XUXIUFHCSA-N 1 3 334.468 0.863 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)CN1CCCC1 ZINC000988327857 751865319 /nfs/dbraw/zinc/86/53/19/751865319.db2.gz TZJAOWMKIXTEBZ-FPCVCCKLSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)CN1CCCC1 ZINC000988327857 751865325 /nfs/dbraw/zinc/86/53/25/751865325.db2.gz TZJAOWMKIXTEBZ-FPCVCCKLSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC000998120116 743988308 /nfs/dbraw/zinc/98/83/08/743988308.db2.gz PYSWCXUUYMZFEV-AWEZNQCLSA-N 1 3 347.463 0.697 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001105338785 744086537 /nfs/dbraw/zinc/08/65/37/744086537.db2.gz BGAIUSOJXHSKEQ-UHFFFAOYSA-N 1 3 334.468 0.893 20 0 ECADHO CN1CCC[C@@H]([NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000998269269 744088959 /nfs/dbraw/zinc/08/89/59/744088959.db2.gz LOMKTKXJISIXBX-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC000976762337 744303085 /nfs/dbraw/zinc/30/30/85/744303085.db2.gz UPKPCOMNGVKCOO-XUWVNRHRSA-N 1 3 336.480 0.241 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC000999143396 744533888 /nfs/dbraw/zinc/53/38/88/744533888.db2.gz GWONLGVHEZXYHL-GOEBONIOSA-N 1 3 334.468 0.769 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC000999143396 744533891 /nfs/dbraw/zinc/53/38/91/744533891.db2.gz GWONLGVHEZXYHL-GOEBONIOSA-N 1 3 334.468 0.769 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC000999303669 744612607 /nfs/dbraw/zinc/61/26/07/744612607.db2.gz HXAQAWFCNOIRPV-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC000999303669 744612610 /nfs/dbraw/zinc/61/26/10/744612610.db2.gz HXAQAWFCNOIRPV-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC000999310361 744616975 /nfs/dbraw/zinc/61/69/75/744616975.db2.gz XQVDWUMBPHILHI-GOEBONIOSA-N 1 3 334.468 0.770 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC000999310361 744616979 /nfs/dbraw/zinc/61/69/79/744616979.db2.gz XQVDWUMBPHILHI-GOEBONIOSA-N 1 3 334.468 0.770 20 0 ECADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CCn2cncn2)C1 ZINC000999407125 744680997 /nfs/dbraw/zinc/68/09/97/744680997.db2.gz DGJHGZXIAGIIMJ-UHFFFAOYSA-N 1 3 334.468 0.589 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC000999473281 744715029 /nfs/dbraw/zinc/71/50/29/744715029.db2.gz LINPSRFVHRIIEN-QRMWWUJWSA-N 1 3 329.408 0.310 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029164800 745189247 /nfs/dbraw/zinc/18/92/47/745189247.db2.gz QOCLACLNZLTTCI-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001029164800 745189253 /nfs/dbraw/zinc/18/92/53/745189253.db2.gz QOCLACLNZLTTCI-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)C(N)=O ZINC001112535869 745233495 /nfs/dbraw/zinc/23/34/95/745233495.db2.gz DTCQIUCHVXMLDA-QEORTHHSSA-N 1 3 333.436 0.434 20 0 ECADHO O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)NC1CC1 ZINC001112536201 745364454 /nfs/dbraw/zinc/36/44/54/745364454.db2.gz WIWAFQGFYPHJGQ-UGSOOPFHSA-N 1 3 345.447 0.449 20 0 ECADHO CN1CC[C@H](N2CCC(C3(NC(=O)[C@@H]4CC[N@H+](C)C4)CC3)CC2)C1=O ZINC001000334611 745435344 /nfs/dbraw/zinc/43/53/44/745435344.db2.gz ZRNQNAAYYCKKKF-ZBFHGGJFSA-N 1 3 348.491 0.530 20 0 ECADHO CN1CC[C@H](N2CCC(C3(NC(=O)[C@@H]4CC[N@@H+](C)C4)CC3)CC2)C1=O ZINC001000334611 745435346 /nfs/dbraw/zinc/43/53/46/745435346.db2.gz ZRNQNAAYYCKKKF-ZBFHGGJFSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H](C)CNCc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360789 752011918 /nfs/dbraw/zinc/01/19/18/752011918.db2.gz INPLKDJXKUHPIJ-CQSZACIVSA-N 1 3 346.479 0.893 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001000546287 745583523 /nfs/dbraw/zinc/58/35/23/745583523.db2.gz NYXWZVZADVLUOD-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001020721174 752030662 /nfs/dbraw/zinc/03/06/62/752030662.db2.gz NRBZUSPZMOXQRY-WKILWMFISA-N 1 3 346.435 0.792 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001075808888 745833771 /nfs/dbraw/zinc/83/37/71/745833771.db2.gz HNRQCYOIBZLYHY-YYIAUSFCSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC001075808888 745833782 /nfs/dbraw/zinc/83/37/82/745833782.db2.gz HNRQCYOIBZLYHY-YYIAUSFCSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C[C@H]1CCN1C(=O)[C@H]1CCCN1C)C(=O)C12CC[NH+](CC1)C2 ZINC000978052460 745861817 /nfs/dbraw/zinc/86/18/17/745861817.db2.gz JHIIXBYPCUGHRY-HUUCEWRRSA-N 1 3 334.464 0.236 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001000917665 745896994 /nfs/dbraw/zinc/89/69/94/745896994.db2.gz LSPZJPGQVCDBMU-KGLIPLIRSA-N 1 3 332.452 0.714 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001000917665 745897003 /nfs/dbraw/zinc/89/70/03/745897003.db2.gz LSPZJPGQVCDBMU-KGLIPLIRSA-N 1 3 332.452 0.714 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC001000926411 745905837 /nfs/dbraw/zinc/90/58/37/745905837.db2.gz NUMOYYJDROIUDA-JKSUJKDBSA-N 1 3 349.479 0.469 20 0 ECADHO COc1ncc(C[NH2+][C@H]2CCCN(C(=O)CN3CCCC3)C2)c(C)n1 ZINC001000931078 745909034 /nfs/dbraw/zinc/90/90/34/745909034.db2.gz BALGGDSXYWJWII-INIZCTEOSA-N 1 3 347.463 0.970 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC000978147271 745979994 /nfs/dbraw/zinc/97/99/94/745979994.db2.gz FIBWWXSEFMTHCJ-ARFHVFGLSA-N 1 3 338.496 0.726 20 0 ECADHO C[N@H+](C[C@@H]1CCNC(=O)CC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027595156 746029294 /nfs/dbraw/zinc/02/92/94/746029294.db2.gz VWAIDBRYQDCNNT-GOEBONIOSA-N 1 3 347.463 0.791 20 0 ECADHO C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027595156 746029298 /nfs/dbraw/zinc/02/92/98/746029298.db2.gz VWAIDBRYQDCNNT-GOEBONIOSA-N 1 3 347.463 0.791 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000984257559 746171839 /nfs/dbraw/zinc/17/18/39/746171839.db2.gz DHFIUNCYDSYCGM-FVQBIDKESA-N 1 3 347.463 0.742 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000984257559 746171844 /nfs/dbraw/zinc/17/18/44/746171844.db2.gz DHFIUNCYDSYCGM-FVQBIDKESA-N 1 3 347.463 0.742 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCn1cccn1 ZINC001087797992 746356524 /nfs/dbraw/zinc/35/65/24/746356524.db2.gz VDDOQBLFJFGZBD-JKSUJKDBSA-N 1 3 331.464 0.948 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087908511 746634964 /nfs/dbraw/zinc/63/49/64/746634964.db2.gz FDIYFRYXPJFJIF-OWCLPIDISA-N 1 3 332.452 0.153 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087908511 746634966 /nfs/dbraw/zinc/63/49/66/746634966.db2.gz FDIYFRYXPJFJIF-OWCLPIDISA-N 1 3 332.452 0.153 20 0 ECADHO C[NH+]1CCC(C(=O)NCC2CCN([C@@H]3CCCNC3=O)CC2)CC1 ZINC001001794574 746728974 /nfs/dbraw/zinc/72/89/74/746728974.db2.gz HEYWQASMEYQSHF-MRXNPFEDSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001001885134 746784928 /nfs/dbraw/zinc/78/49/28/746784928.db2.gz GDDKPOFHQPAZHY-MRXNPFEDSA-N 1 3 348.491 0.530 20 0 ECADHO CN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC000984804125 746960668 /nfs/dbraw/zinc/96/06/68/746960668.db2.gz LABASEFSBHNURS-RBSFLKMASA-N 1 3 336.480 0.433 20 0 ECADHO COc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)on1 ZINC000984810859 746967546 /nfs/dbraw/zinc/96/75/46/746967546.db2.gz YTNXBAJUZOKLDJ-BHPKHCPMSA-N 1 3 336.436 0.865 20 0 ECADHO COc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)on1 ZINC000984810859 746967548 /nfs/dbraw/zinc/96/75/48/746967548.db2.gz YTNXBAJUZOKLDJ-BHPKHCPMSA-N 1 3 336.436 0.865 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000979046896 747113906 /nfs/dbraw/zinc/11/39/06/747113906.db2.gz PHWYUCDRZXSQDQ-OAGGEKHMSA-N 1 3 348.491 0.578 20 0 ECADHO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C)C(=O)C12CC[NH+](CC1)C2 ZINC001002277649 747156023 /nfs/dbraw/zinc/15/60/23/747156023.db2.gz LCZFTSKVGXYGBA-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000985075601 747328440 /nfs/dbraw/zinc/32/84/40/747328440.db2.gz KABMCOIOZQZGGI-SHTZXODSSA-N 1 3 343.431 0.644 20 0 ECADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090788 747352093 /nfs/dbraw/zinc/35/20/93/747352093.db2.gz GNHAHJSGDPLUSO-OWCLPIDISA-N 1 3 336.480 0.372 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000979316623 747628025 /nfs/dbraw/zinc/62/80/25/747628025.db2.gz UFLOWOCPVVBQSY-REBRKWNGSA-N 1 3 347.463 0.469 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000979316623 747628028 /nfs/dbraw/zinc/62/80/28/747628028.db2.gz UFLOWOCPVVBQSY-REBRKWNGSA-N 1 3 347.463 0.469 20 0 ECADHO C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000979317475 747630335 /nfs/dbraw/zinc/63/03/35/747630335.db2.gz ORZIAXTXJVJDMW-GDBMZVCRSA-N 1 3 349.479 0.610 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC001002794387 747795945 /nfs/dbraw/zinc/79/59/45/747795945.db2.gz HPYWKDJVSBTOMB-MYPMTAMASA-N 1 3 331.420 0.152 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC001002794387 747795951 /nfs/dbraw/zinc/79/59/51/747795951.db2.gz HPYWKDJVSBTOMB-MYPMTAMASA-N 1 3 331.420 0.152 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001002956140 748005688 /nfs/dbraw/zinc/00/56/88/748005688.db2.gz SMTADBDEGVYLBZ-MRXNPFEDSA-N 1 3 334.468 0.733 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001002956140 748005695 /nfs/dbraw/zinc/00/56/95/748005695.db2.gz SMTADBDEGVYLBZ-MRXNPFEDSA-N 1 3 334.468 0.733 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1)N(C)C ZINC000985480183 748228559 /nfs/dbraw/zinc/22/85/59/748228559.db2.gz BNSUYPHAGOKHDI-CVEARBPZSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1)N(C)C ZINC000985480183 748228567 /nfs/dbraw/zinc/22/85/67/748228567.db2.gz BNSUYPHAGOKHDI-CVEARBPZSA-N 1 3 338.496 0.774 20 0 ECADHO CN([C@@H]1CCN(C)C1=O)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518749 748384207 /nfs/dbraw/zinc/38/42/07/748384207.db2.gz WYPPOGMSHVJTSD-MRXNPFEDSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C)C1(C(=O)N2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)CCC1 ZINC001003301754 748398518 /nfs/dbraw/zinc/39/85/18/748398518.db2.gz OXUZGDBAMATXBM-UHFFFAOYSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001003330761 748432943 /nfs/dbraw/zinc/43/29/43/748432943.db2.gz CNBYOFYTMXEQBX-PSPFXIJKSA-N 1 3 349.475 0.467 20 0 ECADHO COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003331495 748433964 /nfs/dbraw/zinc/43/39/64/748433964.db2.gz GTLBBSIBTXZGAX-DFFOAJLQSA-N 1 3 337.464 0.465 20 0 ECADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CCN2CCNC2=O)CC1)N(C)C ZINC000985657605 748824865 /nfs/dbraw/zinc/82/48/65/748824865.db2.gz RSZQCMNUOPVJJO-HNNXBMFYSA-N 1 3 339.484 0.275 20 0 ECADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CCN2CCNC2=O)CC1)N(C)C ZINC000985657605 748824870 /nfs/dbraw/zinc/82/48/70/748824870.db2.gz RSZQCMNUOPVJJO-HNNXBMFYSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC001029861582 748993668 /nfs/dbraw/zinc/99/36/68/748993668.db2.gz PUKNJFXJQKAGDF-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO Cn1ccc(CN2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)cc1=O ZINC001003981047 749103306 /nfs/dbraw/zinc/10/33/06/749103306.db2.gz YGYGUUSSJHTKLU-UHFFFAOYSA-N 1 3 344.459 0.562 20 0 ECADHO Cc1nc(CN[C@H]2CCCCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001088424677 749162835 /nfs/dbraw/zinc/16/28/35/749162835.db2.gz CUUGMXPUQGOGNZ-CABCVRRESA-N 1 3 334.468 0.926 20 0 ECADHO Cc1nc(CN[C@H]2CCCCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001088424677 749162840 /nfs/dbraw/zinc/16/28/40/749162840.db2.gz CUUGMXPUQGOGNZ-CABCVRRESA-N 1 3 334.468 0.926 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000980398810 749492881 /nfs/dbraw/zinc/49/28/81/749492881.db2.gz ZYMXALLVUOGDQW-HZPDHXFCSA-N 1 3 334.468 0.379 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000980398810 749492887 /nfs/dbraw/zinc/49/28/87/749492887.db2.gz ZYMXALLVUOGDQW-HZPDHXFCSA-N 1 3 334.468 0.379 20 0 ECADHO Cc1cc(C)n(CCN(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000980406736 749507989 /nfs/dbraw/zinc/50/79/89/749507989.db2.gz ROKONIOKFKMKCA-DLBZAZTESA-N 1 3 333.480 0.984 20 0 ECADHO Cc1cc(C)n(CCN(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000980406736 749507991 /nfs/dbraw/zinc/50/79/91/749507991.db2.gz ROKONIOKFKMKCA-DLBZAZTESA-N 1 3 333.480 0.984 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1)N(C)C ZINC001004540071 749606085 /nfs/dbraw/zinc/60/60/85/749606085.db2.gz PUHFHOWFVBFDLT-NVXWUHKLSA-N 1 3 338.496 0.761 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1)N(C)C ZINC001004540071 749606089 /nfs/dbraw/zinc/60/60/89/749606089.db2.gz PUHFHOWFVBFDLT-NVXWUHKLSA-N 1 3 338.496 0.761 20 0 ECADHO CN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC001029947641 750029833 /nfs/dbraw/zinc/02/98/33/750029833.db2.gz URXFKOKUPGFDIO-JKSUJKDBSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CC[C@@H]([N@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC001029947641 750029838 /nfs/dbraw/zinc/02/98/38/750029838.db2.gz URXFKOKUPGFDIO-JKSUJKDBSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1C[C@@H](C[NH2+]Cc2cnnn2C)CN1C(=O)CN1CCC(C)CC1 ZINC000980739439 750055821 /nfs/dbraw/zinc/05/58/21/750055821.db2.gz QWLYKSJQXBUWNV-HOTGVXAUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[C@H](CNCc2ccn(C)n2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766681 750119000 /nfs/dbraw/zinc/11/90/00/750119000.db2.gz FRFDSODTCYIULI-LSDHHAIUSA-N 1 3 331.464 0.843 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001112212279 750203962 /nfs/dbraw/zinc/20/39/62/750203962.db2.gz XNSPTTQVPHIMNE-QJPTWQEYSA-N 1 3 325.375 0.686 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987359445 750754224 /nfs/dbraw/zinc/75/42/24/750754224.db2.gz OMHXSKKUPQUUKA-LSDHHAIUSA-N 1 3 346.479 0.781 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCn1cccn1)C2 ZINC000981666673 750935832 /nfs/dbraw/zinc/93/58/32/750935832.db2.gz YMGYOOLZMWBMHP-INIZCTEOSA-N 1 3 331.464 0.902 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCn1cccn1)C2 ZINC000981666673 750935835 /nfs/dbraw/zinc/93/58/35/750935835.db2.gz YMGYOOLZMWBMHP-INIZCTEOSA-N 1 3 331.464 0.902 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CC2(C1)CCCN(CCn1cncn1)C2)C1CC1 ZINC000981812656 751133784 /nfs/dbraw/zinc/13/37/84/751133784.db2.gz SALCAJKYINNSQY-MRXNPFEDSA-N 1 3 346.479 0.543 20 0 ECADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnccc2N(C)C)C1)c1nncn1C ZINC001020938727 752363957 /nfs/dbraw/zinc/36/39/57/752363957.db2.gz VCYMECXUSSEBHT-AVGNSLFASA-N 1 3 343.435 0.888 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001021096770 752537545 /nfs/dbraw/zinc/53/75/45/752537545.db2.gz XTUFOIRXNBHJKE-RBSFLKMASA-N 1 3 337.468 0.123 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989034645 753178727 /nfs/dbraw/zinc/17/87/27/753178727.db2.gz RFRVOLDAUFCSGJ-PMPSAXMXSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989034645 753178732 /nfs/dbraw/zinc/17/87/32/753178732.db2.gz RFRVOLDAUFCSGJ-PMPSAXMXSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C)N(C)C ZINC000989064012 753201087 /nfs/dbraw/zinc/20/10/87/753201087.db2.gz IBDCIWZLVHRLHQ-QLFBSQMISA-N 1 3 336.480 0.528 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001008407082 753710601 /nfs/dbraw/zinc/71/06/01/753710601.db2.gz PXWBHHLTDQIKRR-HOTGVXAUSA-N 1 3 346.479 0.688 20 0 ECADHO CCN(CC)CC(=O)N1CCOC2(CCC([NH2+]CCO)CC2)C1 ZINC001105483715 753715877 /nfs/dbraw/zinc/71/58/77/753715877.db2.gz BKNPEMIMHNLGFU-UHFFFAOYSA-N 1 3 327.469 0.450 20 0 ECADHO CCN(CC)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051509162 762245739 /nfs/dbraw/zinc/24/57/39/762245739.db2.gz INYFUBDSOQHWDC-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCN(C[C@@H](O)Cn3cccn3)CC2)C1 ZINC000989482434 754019851 /nfs/dbraw/zinc/01/98/51/754019851.db2.gz CODYAVZEWIYZFR-IAGOWNOFSA-N 1 3 349.479 0.120 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCCN(C[C@@H](O)Cn3cccn3)CC2)C1 ZINC000989482434 754019859 /nfs/dbraw/zinc/01/98/59/754019859.db2.gz CODYAVZEWIYZFR-IAGOWNOFSA-N 1 3 349.479 0.120 20 0 ECADHO Cc1nn(C)cc1CN[C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989685051 754304997 /nfs/dbraw/zinc/30/49/97/754304997.db2.gz YCGAQIDJOFLCRV-CJNGLKHVSA-N 1 3 331.464 0.903 20 0 ECADHO CO[C@H](C)CN1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983025107 754459587 /nfs/dbraw/zinc/45/95/87/754459587.db2.gz BTGJVLBLDNMWHD-OAHLLOKOSA-N 1 3 327.469 0.666 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC(=O)N2CCCC2)CC1 ZINC001168320955 754502513 /nfs/dbraw/zinc/50/25/13/754502513.db2.gz WOESKYIRPOVSDU-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC001009083092 754521734 /nfs/dbraw/zinc/52/17/34/754521734.db2.gz LNWMJFVKAMBRRH-FPCVCCKLSA-N 1 3 348.491 0.243 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC001009083092 754521737 /nfs/dbraw/zinc/52/17/37/754521737.db2.gz LNWMJFVKAMBRRH-FPCVCCKLSA-N 1 3 348.491 0.243 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)n1 ZINC001083470271 755279941 /nfs/dbraw/zinc/27/99/41/755279941.db2.gz ILHSUCPWILSQGU-CVEARBPZSA-N 1 3 335.452 0.020 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C[C@@H]1CCc2ncnn21 ZINC001088836109 757008731 /nfs/dbraw/zinc/00/87/31/757008731.db2.gz FVQQIRRMBVPZKB-KBMXLJTQSA-N 1 3 346.479 0.686 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001011162990 757082877 /nfs/dbraw/zinc/08/28/77/757082877.db2.gz FKVRPOXZEJXCKZ-INIZCTEOSA-N 1 3 334.464 0.095 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1)C1CC1 ZINC001048864309 757221088 /nfs/dbraw/zinc/22/10/88/757221088.db2.gz WROADNVVGXABRO-XHSDSOJGSA-N 1 3 332.452 0.009 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1)C1CC1 ZINC001048864309 757221097 /nfs/dbraw/zinc/22/10/97/757221097.db2.gz WROADNVVGXABRO-XHSDSOJGSA-N 1 3 332.452 0.009 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996302063 757311930 /nfs/dbraw/zinc/31/19/30/757311930.db2.gz VYVNTXWJWPCRMI-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)[C@H](C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)C1CC1 ZINC001011263661 757328736 /nfs/dbraw/zinc/32/87/36/757328736.db2.gz CSFONFUAWGSODB-HNNXBMFYSA-N 1 3 334.464 0.093 20 0 ECADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001011317682 757499886 /nfs/dbraw/zinc/49/98/86/757499886.db2.gz WLNCQJZTUVLRJT-HNNXBMFYSA-N 1 3 333.436 0.497 20 0 ECADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001011317682 757499898 /nfs/dbraw/zinc/49/98/98/757499898.db2.gz WLNCQJZTUVLRJT-HNNXBMFYSA-N 1 3 333.436 0.497 20 0 ECADHO C[C@@H](CCNC(=O)[C@H](C1CC1)[NH+](C)C)NC(=O)CN(C)C1CCC1 ZINC001076957552 757748613 /nfs/dbraw/zinc/74/86/13/757748613.db2.gz DGUNJEJZJZUVTO-GUYCJALGSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049057197 757804495 /nfs/dbraw/zinc/80/44/95/757804495.db2.gz MPAGUNVVTIMMFO-WCVJEAGWSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049057197 757804504 /nfs/dbraw/zinc/80/45/04/757804504.db2.gz MPAGUNVVTIMMFO-WCVJEAGWSA-N 1 3 334.464 0.092 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1)N(C)C ZINC001049067342 757863699 /nfs/dbraw/zinc/86/36/99/757863699.db2.gz WZGWWRFHFDINTA-QXSJWSMHSA-N 1 3 346.479 0.496 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1)N(C)C ZINC001049067342 757863706 /nfs/dbraw/zinc/86/37/06/757863706.db2.gz WZGWWRFHFDINTA-QXSJWSMHSA-N 1 3 346.479 0.496 20 0 ECADHO Cn1cc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)cn1 ZINC000996517790 757924754 /nfs/dbraw/zinc/92/47/54/757924754.db2.gz AMBMFKYRWAXJIU-OAHLLOKOSA-N 1 3 331.464 0.843 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001077021376 757958988 /nfs/dbraw/zinc/95/89/88/757958988.db2.gz YPSKFYQVUKSHDW-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001077021376 757958997 /nfs/dbraw/zinc/95/89/97/757958997.db2.gz YPSKFYQVUKSHDW-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC000996543965 757972775 /nfs/dbraw/zinc/97/27/75/757972775.db2.gz HPYWKDJVSBTOMB-RZFFKMDDSA-N 1 3 331.420 0.152 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC000996543965 757972778 /nfs/dbraw/zinc/97/27/78/757972778.db2.gz HPYWKDJVSBTOMB-RZFFKMDDSA-N 1 3 331.420 0.152 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1)C1CC1 ZINC001051653931 762598938 /nfs/dbraw/zinc/59/89/38/762598938.db2.gz CDTQYAWOXOPYBV-DLBZAZTESA-N 1 3 332.448 0.739 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CC2CCOCC2)C1)C1CC1 ZINC001051653875 762599115 /nfs/dbraw/zinc/59/91/15/762599115.db2.gz BKDBIROUFFWLKG-DLBZAZTESA-N 1 3 339.480 0.570 20 0 ECADHO CN(CC(=O)N1CCO[C@H](C[NH2+]C[C@H]2CCCOC2)C1)C1CCC1 ZINC001051654239 762601705 /nfs/dbraw/zinc/60/17/05/762601705.db2.gz JQWKMFRNUPMPFE-NVXWUHKLSA-N 1 3 339.480 0.714 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001051654706 762603839 /nfs/dbraw/zinc/60/38/39/762603839.db2.gz RLDOYWNEXOPXQA-QGZVFWFLSA-N 1 3 349.479 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001011648363 758208133 /nfs/dbraw/zinc/20/81/33/758208133.db2.gz WALYVRXKNYIUPG-HOTGVXAUSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001011648363 758208141 /nfs/dbraw/zinc/20/81/41/758208141.db2.gz WALYVRXKNYIUPG-HOTGVXAUSA-N 1 3 336.480 0.341 20 0 ECADHO O=C(CN1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)N1CCCC1 ZINC001049173409 758217580 /nfs/dbraw/zinc/21/75/80/758217580.db2.gz WPCZNCPNXQXLJA-IYBDPMFKSA-N 1 3 346.475 0.095 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](NCC(=O)N3CCCC3)C(C)(C)C2)C1 ZINC000996610971 758220402 /nfs/dbraw/zinc/22/04/02/758220402.db2.gz LXDKIHJQYFCCOA-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](NCC(=O)N3CCCC3)C(C)(C)C2)C1 ZINC000996610971 758220410 /nfs/dbraw/zinc/22/04/10/758220410.db2.gz LXDKIHJQYFCCOA-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO Cc1ncc(CNC2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)o1 ZINC000996618102 758253492 /nfs/dbraw/zinc/25/34/92/758253492.db2.gz CYUHNXNXWOVXSL-WBVHZDCISA-N 1 3 348.447 0.927 20 0 ECADHO Cc1ncc(CNC2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)o1 ZINC000996618102 758253505 /nfs/dbraw/zinc/25/35/05/758253505.db2.gz CYUHNXNXWOVXSL-WBVHZDCISA-N 1 3 348.447 0.927 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccccn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022121664 758308103 /nfs/dbraw/zinc/30/81/03/758308103.db2.gz IDNIKYHEDYKBCN-YVSFHVDLSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccccn2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001022121664 758308112 /nfs/dbraw/zinc/30/81/12/758308112.db2.gz IDNIKYHEDYKBCN-YVSFHVDLSA-N 1 3 330.432 0.682 20 0 ECADHO CCn1nncc1C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996666345 758391980 /nfs/dbraw/zinc/39/19/80/758391980.db2.gz QPBILODVXSTSIB-UHFFFAOYSA-N 1 3 334.468 0.863 20 0 ECADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3ccn(C)c(=O)c3)CC2)CCC1 ZINC000996668484 758403486 /nfs/dbraw/zinc/40/34/86/758403486.db2.gz DHKXEKQYMRYTFT-UHFFFAOYSA-N 1 3 346.475 0.950 20 0 ECADHO O=C(NCCNCc1ccc(Cl)nc1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780017 758632276 /nfs/dbraw/zinc/63/22/76/758632276.db2.gz UTUICMVEJHAYCN-KBPBESRZSA-N 1 3 338.839 0.804 20 0 ECADHO O=C(NCCNCc1ccc(Cl)nc1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780017 758632280 /nfs/dbraw/zinc/63/22/80/758632280.db2.gz UTUICMVEJHAYCN-KBPBESRZSA-N 1 3 338.839 0.804 20 0 ECADHO Cn1cc(CN[C@H]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)nn1 ZINC001022370434 758636899 /nfs/dbraw/zinc/63/68/99/758636899.db2.gz LCYAWORBSCCUQZ-BETUJISGSA-N 1 3 325.376 0.513 20 0 ECADHO COc1cc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccn1 ZINC001127778477 758637656 /nfs/dbraw/zinc/63/76/56/758637656.db2.gz GAFDZOWOWGRJSH-LSDHHAIUSA-N 1 3 334.420 0.159 20 0 ECADHO COc1cc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)ccn1 ZINC001127778477 758637662 /nfs/dbraw/zinc/63/76/62/758637662.db2.gz GAFDZOWOWGRJSH-LSDHHAIUSA-N 1 3 334.420 0.159 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022452999 758744645 /nfs/dbraw/zinc/74/46/45/758744645.db2.gz VUUDVHISQMHXEJ-LYVRNZQJSA-N 1 3 342.443 0.682 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCn2cncn2)CC[N@@H+]1C ZINC001049484419 758794423 /nfs/dbraw/zinc/79/44/23/758794423.db2.gz GTSROIOHEDYWLV-VQHPVUNQSA-N 1 3 346.479 0.684 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCn2cncn2)CC[N@H+]1C ZINC001049484419 758794427 /nfs/dbraw/zinc/79/44/27/758794427.db2.gz GTSROIOHEDYWLV-VQHPVUNQSA-N 1 3 346.479 0.684 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)C1 ZINC001022713785 759027543 /nfs/dbraw/zinc/02/75/43/759027543.db2.gz MJXFPFWBBJBUCN-XQLPTFJDSA-N 1 3 332.452 0.344 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)C1 ZINC001022713779 759027702 /nfs/dbraw/zinc/02/77/02/759027702.db2.gz MJXFPFWBBJBUCN-BYNSBNAKSA-N 1 3 332.452 0.344 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001022716048 759032170 /nfs/dbraw/zinc/03/21/70/759032170.db2.gz QHEZZPSJDDZAAU-CWRNSKLLSA-N 1 3 332.448 0.464 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCN2CCNC2=O)C1 ZINC001049895241 759369319 /nfs/dbraw/zinc/36/93/19/759369319.db2.gz IWTIQNVZOBMXNL-XHSDSOJGSA-N 1 3 349.479 0.029 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCN2CCNC2=O)C1 ZINC001049895241 759369330 /nfs/dbraw/zinc/36/93/30/759369330.db2.gz IWTIQNVZOBMXNL-XHSDSOJGSA-N 1 3 349.479 0.029 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CCN2CCCC2=O)C1 ZINC001049898242 759375229 /nfs/dbraw/zinc/37/52/29/759375229.db2.gz YBJIRUWZPLUQAI-YESZJQIVSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CCN2CCCC2=O)C1 ZINC001049898242 759375237 /nfs/dbraw/zinc/37/52/37/759375237.db2.gz YBJIRUWZPLUQAI-YESZJQIVSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047976216 759761406 /nfs/dbraw/zinc/76/14/06/759761406.db2.gz SHGPLONTXMGIGQ-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047976216 759761411 /nfs/dbraw/zinc/76/14/11/759761411.db2.gz SHGPLONTXMGIGQ-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001050130395 759770052 /nfs/dbraw/zinc/77/00/52/759770052.db2.gz WTAQOLXXHVFCAM-HRCADAONSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@@H](NCc1cnns1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048041106 759871059 /nfs/dbraw/zinc/87/10/59/759871059.db2.gz WJPZCJLAKLXDMF-CHWSQXEVSA-N 1 3 335.477 0.961 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001048276688 760204226 /nfs/dbraw/zinc/20/42/26/760204226.db2.gz IDGXDDGGXARHQM-KGLIPLIRSA-N 1 3 334.468 0.484 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001050462524 760306584 /nfs/dbraw/zinc/30/65/84/760306584.db2.gz UOVYQTPZBZUTTH-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO CCn1cc(CNC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)nn1 ZINC001048365046 760379416 /nfs/dbraw/zinc/37/94/16/760379416.db2.gz BXGQDEZSUHSING-HOCLYGCPSA-N 1 3 348.495 0.824 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2)C1CC1 ZINC001050547167 760470794 /nfs/dbraw/zinc/47/07/94/760470794.db2.gz XAZFSSCTRLFKIV-CVEARBPZSA-N 1 3 348.491 0.530 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001048526818 760663779 /nfs/dbraw/zinc/66/37/79/760663779.db2.gz BMBZKJAYWTWHKY-IBEHDNSVSA-N 1 3 336.480 0.432 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048526818 760663784 /nfs/dbraw/zinc/66/37/84/760663784.db2.gz BMBZKJAYWTWHKY-IBEHDNSVSA-N 1 3 336.480 0.432 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048527711 760664841 /nfs/dbraw/zinc/66/48/41/760664841.db2.gz SGPWHMJQDUXDPY-FZKCQIBNSA-N 1 3 336.480 0.704 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048527711 760664845 /nfs/dbraw/zinc/66/48/45/760664845.db2.gz SGPWHMJQDUXDPY-FZKCQIBNSA-N 1 3 336.480 0.704 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)C2 ZINC001048538411 760680913 /nfs/dbraw/zinc/68/09/13/760680913.db2.gz UAWAREQBWIFGAP-ZOFXXKQRSA-N 1 3 348.491 0.848 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)C2 ZINC001048538411 760680917 /nfs/dbraw/zinc/68/09/17/760680917.db2.gz UAWAREQBWIFGAP-ZOFXXKQRSA-N 1 3 348.491 0.848 20 0 ECADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C)C(N)=O ZINC000995819425 760686731 /nfs/dbraw/zinc/68/67/31/760686731.db2.gz DBPZMBQNLJXYBM-ZIAGYGMSSA-N 1 3 338.496 0.951 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001127067098 760712818 /nfs/dbraw/zinc/71/28/18/760712818.db2.gz WKGMMXPMQMBOHE-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001127067098 760712825 /nfs/dbraw/zinc/71/28/25/760712825.db2.gz WKGMMXPMQMBOHE-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]([NH2+][C@H]3CCCNC3=O)C(C)(C)C2)CCC1 ZINC000995888882 760769212 /nfs/dbraw/zinc/76/92/12/760769212.db2.gz SQDMGLIQOIAUID-KBPBESRZSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C(C)(C)C2)CCC1 ZINC000995890119 760770298 /nfs/dbraw/zinc/77/02/98/760770298.db2.gz ZDBZWSOCPHUBLX-KGLIPLIRSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1)[NH+]1CCCCCC1 ZINC000991411950 760783968 /nfs/dbraw/zinc/78/39/68/760783968.db2.gz CEIITWULDYIOGB-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050773247 760820846 /nfs/dbraw/zinc/82/08/46/760820846.db2.gz QDXOAJYBCPKPOC-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050773247 760820859 /nfs/dbraw/zinc/82/08/59/760820859.db2.gz QDXOAJYBCPKPOC-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1N[C@H]1CCNC1=O ZINC000995964884 760851542 /nfs/dbraw/zinc/85/15/42/760851542.db2.gz HKRZKJJTMWMYNI-GJZGRUSLSA-N 1 3 348.491 0.578 20 0 ECADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000991428825 760893912 /nfs/dbraw/zinc/89/39/12/760893912.db2.gz SBLGLGYKVFGRFG-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000991428825 760893926 /nfs/dbraw/zinc/89/39/26/760893926.db2.gz SBLGLGYKVFGRFG-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H](N[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C)C(N)=O ZINC000995972120 760902940 /nfs/dbraw/zinc/90/29/40/760902940.db2.gz YCFYFEXDWAFGDE-KGLIPLIRSA-N 1 3 336.480 0.563 20 0 ECADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127081842 761008547 /nfs/dbraw/zinc/00/85/47/761008547.db2.gz DIHXTZBNYRHGFZ-LSDHHAIUSA-N 1 3 342.484 0.106 20 0 ECADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127081842 761008559 /nfs/dbraw/zinc/00/85/59/761008559.db2.gz DIHXTZBNYRHGFZ-LSDHHAIUSA-N 1 3 342.484 0.106 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000991478225 761132521 /nfs/dbraw/zinc/13/25/21/761132521.db2.gz JYEGPLUKLCNRQB-ZBFHGGJFSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000991478225 761132526 /nfs/dbraw/zinc/13/25/26/761132526.db2.gz JYEGPLUKLCNRQB-ZBFHGGJFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001050960309 761226084 /nfs/dbraw/zinc/22/60/84/761226084.db2.gz QOFYZKYKYRJJJO-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106255391 768022785 /nfs/dbraw/zinc/02/27/85/768022785.db2.gz PRQSWCHRUDVZGR-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000991541057 761471151 /nfs/dbraw/zinc/47/11/51/761471151.db2.gz TZEAMWDDMHFAMX-WFASDCNBSA-N 1 3 331.420 0.154 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000991541057 761471157 /nfs/dbraw/zinc/47/11/57/761471157.db2.gz TZEAMWDDMHFAMX-WFASDCNBSA-N 1 3 331.420 0.154 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051902209 763278545 /nfs/dbraw/zinc/27/85/45/763278545.db2.gz XVKRHIDUEPBYFV-HOCLYGCPSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051902209 763278549 /nfs/dbraw/zinc/27/85/49/763278549.db2.gz XVKRHIDUEPBYFV-HOCLYGCPSA-N 1 3 335.452 0.079 20 0 ECADHO Cc1nc(C)n(CCN2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001014963152 763557167 /nfs/dbraw/zinc/55/71/67/763557167.db2.gz NTNWBHMDKNZXPM-HOTGVXAUSA-N 1 3 334.468 0.570 20 0 ECADHO Cc1nc(C)n(CCN2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001014963152 763557171 /nfs/dbraw/zinc/55/71/71/763557171.db2.gz NTNWBHMDKNZXPM-HOTGVXAUSA-N 1 3 334.468 0.570 20 0 ECADHO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001014963152 763557178 /nfs/dbraw/zinc/55/71/78/763557178.db2.gz NTNWBHMDKNZXPM-HOTGVXAUSA-N 1 3 334.468 0.570 20 0 ECADHO Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001014963152 763557182 /nfs/dbraw/zinc/55/71/82/763557182.db2.gz NTNWBHMDKNZXPM-HOTGVXAUSA-N 1 3 334.468 0.570 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106340488 768165048 /nfs/dbraw/zinc/16/50/48/768165048.db2.gz ZWYGQMZDECJNQQ-ZIAGYGMSSA-N 1 3 347.525 0.445 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106339708 768165181 /nfs/dbraw/zinc/16/51/81/768165181.db2.gz ZKBXUCWHHMZUOL-HUUCEWRRSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)(C(=O)NCC[NH2+]CCCS(C)(=O)=O)N1CCCCC1 ZINC001127327009 768181502 /nfs/dbraw/zinc/18/15/02/768181502.db2.gz DKELIENJKPIXSJ-UHFFFAOYSA-N 1 3 333.498 0.391 20 0 ECADHO C[C@@H](C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1)CS(C)(=O)=O ZINC001127327796 768195007 /nfs/dbraw/zinc/19/50/07/768195007.db2.gz XFPOBCONOUNEDZ-AWEZNQCLSA-N 1 3 347.525 0.637 20 0 ECADHO CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CN(CCC2CC2)C[C@@H]1O ZINC001047384550 764179316 /nfs/dbraw/zinc/17/93/16/764179316.db2.gz YKZCBTLXNAVXHY-IRXDYDNUSA-N 1 3 349.479 0.362 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001054734438 768207048 /nfs/dbraw/zinc/20/70/48/768207048.db2.gz ANBOCQZGIRVBRC-YOEHRIQHSA-N 1 3 346.475 0.806 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC001054740681 768216141 /nfs/dbraw/zinc/21/61/41/768216141.db2.gz XRLTVXBMHFJTGV-PBHICJAKSA-N 1 3 333.480 0.883 20 0 ECADHO CO[C@H](C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047501830 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ECADHO C[C@]1(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@@H+](CCCF)C1 ZINC001046500375 767265516 /nfs/dbraw/zinc/26/55/16/767265516.db2.gz AVZQEECMALZPLC-BYLPVYNFSA-N 1 3 325.428 0.790 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCc2ccccc2)CC[N@@H+]1C ZINC001127643905 767392703 /nfs/dbraw/zinc/39/27/03/767392703.db2.gz QTHOBLPIVRVSOA-NVXWUHKLSA-N 1 3 346.475 0.391 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCc2ccccc2)CC[N@H+]1C ZINC001127643905 767392711 /nfs/dbraw/zinc/39/27/11/767392711.db2.gz QTHOBLPIVRVSOA-NVXWUHKLSA-N 1 3 346.475 0.391 20 0 ECADHO Cn1cc(CN2CCC3(C[C@H]3NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001016970016 767413437 /nfs/dbraw/zinc/41/34/37/767413437.db2.gz QRZZMNIFMVGHFY-HZPDHXFCSA-N 1 3 331.464 0.843 20 0 ECADHO Cn1cc(CN2CCC3(C[C@H]3NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001016970016 767413440 /nfs/dbraw/zinc/41/34/40/767413440.db2.gz QRZZMNIFMVGHFY-HZPDHXFCSA-N 1 3 331.464 0.843 20 0 ECADHO O=C(NCC1CN(C[C@@H]2CCCCO2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856571 767444864 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ZINC000993879191 769777688 /nfs/dbraw/zinc/77/76/88/769777688.db2.gz LLTYUMNXUWFBEW-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000993879191 769777696 /nfs/dbraw/zinc/77/76/96/769777696.db2.gz LLTYUMNXUWFBEW-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCCN1CCCO ZINC000993989965 769971099 /nfs/dbraw/zinc/97/10/99/769971099.db2.gz QANGWVIIUICFJT-GOEBONIOSA-N 1 3 337.468 0.410 20 0 ECADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001018854910 770104369 /nfs/dbraw/zinc/10/43/69/770104369.db2.gz ORSZECHTSFNPTM-DLBZAZTESA-N 1 3 329.448 0.817 20 0 ECADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001018857297 770110627 /nfs/dbraw/zinc/11/06/27/770110627.db2.gz SYAWIRVKNLORKK-IRXDYDNUSA-N 1 3 331.464 0.761 20 0 ECADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)n[nH]1 ZINC001018961954 770407268 /nfs/dbraw/zinc/40/72/68/770407268.db2.gz ZGTRNLKHSSAEIB-GJZGRUSLSA-N 1 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C[C@H]1CCCN1CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001019441470 771289436 /nfs/dbraw/zinc/28/94/36/771289436.db2.gz MAFLVELZWDKKMN-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056546640 771371609 /nfs/dbraw/zinc/37/16/09/771371609.db2.gz XRPMOCGTLYVKKI-BZUAXINKSA-N 1 3 338.496 0.870 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)cc1 ZINC001019518634 771400984 /nfs/dbraw/zinc/40/09/84/771400984.db2.gz WPZXLOBFIKHYNG-IRXDYDNUSA-N 1 3 344.459 0.831 20 0 ECADHO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1=O ZINC001019560762 771487859 /nfs/dbraw/zinc/48/78/59/771487859.db2.gz WZKQLOPRQMDKLB-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)C2)c1 ZINC001019810994 771825763 /nfs/dbraw/zinc/82/57/63/771825763.db2.gz UQJKCPUAUVQLNF-IRXDYDNUSA-N 1 3 344.459 0.831 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001020151260 772220983 /nfs/dbraw/zinc/22/09/83/772220983.db2.gz QJHRRJBBYCAQOZ-VGWMRTNUSA-N 1 3 346.479 0.909 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001020151260 772220986 /nfs/dbraw/zinc/22/09/86/772220986.db2.gz QJHRRJBBYCAQOZ-VGWMRTNUSA-N 1 3 346.479 0.909 20 0 ECADHO CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C(C)(C)N3CCCCC3)C2)C1=O ZINC001020156330 772226602 /nfs/dbraw/zinc/22/66/02/772226602.db2.gz HABGCRILSPFZOE-RBSFLKMASA-N 1 3 336.480 0.718 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H](NCc3ccccn3)C2)n1 ZINC001020165222 772234215 /nfs/dbraw/zinc/23/42/15/772234215.db2.gz OWEGJFSLUYJMCQ-WKILWMFISA-N 1 3 342.447 0.890 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001020238911 772334153 /nfs/dbraw/zinc/33/41/53/772334153.db2.gz HUGHQLDZDAGPRN-CKEIUWERSA-N 1 3 346.479 0.959 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001020238911 772334159 /nfs/dbraw/zinc/33/41/59/772334159.db2.gz HUGHQLDZDAGPRN-CKEIUWERSA-N 1 3 346.479 0.959 20 0 ECADHO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1)N1CCOCC1 ZINC001020316770 772437687 /nfs/dbraw/zinc/43/76/87/772437687.db2.gz RYPRWRAJMAXMPW-QCODTGAPSA-N 1 3 335.448 0.518 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H]1C)N(C)C ZINC001020367066 772498103 /nfs/dbraw/zinc/49/81/03/772498103.db2.gz MDBZBTAIIXZSTN-XUWVNRHRSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H]1C)N(C)C ZINC001020367066 772498105 /nfs/dbraw/zinc/49/81/05/772498105.db2.gz MDBZBTAIIXZSTN-XUWVNRHRSA-N 1 3 338.496 0.774 20 0 ECADHO CN(CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCCN(C)C1=O)C1CCC1 ZINC001045070453 774930233 /nfs/dbraw/zinc/93/02/33/774930233.db2.gz GNUGAXDSRGFVQE-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)C1=O ZINC001045311479 775385928 /nfs/dbraw/zinc/38/59/28/775385928.db2.gz MGMACXLUAZTGCG-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001079945560 777125478 /nfs/dbraw/zinc/12/54/78/777125478.db2.gz PTTPIAWHOLPKMP-JKSUJKDBSA-N 1 3 336.480 0.480 20 0 ECADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001080442337 777862712 /nfs/dbraw/zinc/86/27/12/777862712.db2.gz WWYDHCAZTFIMAX-MRXNPFEDSA-N 1 3 326.485 0.584 20 0 ECADHO CCN(C(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080561272 778041973 /nfs/dbraw/zinc/04/19/73/778041973.db2.gz QWPKUPXROAMWRN-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080561272 778041985 /nfs/dbraw/zinc/04/19/85/778041985.db2.gz QWPKUPXROAMWRN-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)CN1CC[C@H](C)C1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080561270 778043953 /nfs/dbraw/zinc/04/39/53/778043953.db2.gz QWPKUPXROAMWRN-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)CN1CC[C@H](C)C1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080561270 778043967 /nfs/dbraw/zinc/04/39/67/778043967.db2.gz QWPKUPXROAMWRN-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001078478555 779945762 /nfs/dbraw/zinc/94/57/62/779945762.db2.gz ICKDDHSDTHLHQH-HOCLYGCPSA-N 1 3 336.436 0.586 20 0 ECADHO O=C(N1CCCO[C@H](CNCc2cccnc2)C1)C12CC[NH+](CC1)C2 ZINC001078498083 780018829 /nfs/dbraw/zinc/01/88/29/780018829.db2.gz FOCMAXWKMQCEFF-QGZVFWFLSA-N 1 3 344.459 0.885 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078507993 780044981 /nfs/dbraw/zinc/04/49/81/780044981.db2.gz KLOSQAAJQBBGJU-GDBMZVCRSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078507993 780044990 /nfs/dbraw/zinc/04/49/90/780044990.db2.gz KLOSQAAJQBBGJU-GDBMZVCRSA-N 1 3 335.452 0.079 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001078884813 780582480 /nfs/dbraw/zinc/58/24/80/780582480.db2.gz OXBBBSBJMTZABA-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)N(C)C ZINC001079260985 780932560 /nfs/dbraw/zinc/93/25/60/780932560.db2.gz YQKCVCPMDKCUDS-HRCADAONSA-N 1 3 339.480 0.258 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041380050 781396121 /nfs/dbraw/zinc/39/61/21/781396121.db2.gz VHCJWPUMQTWESV-WMZOPIPTSA-N 1 3 348.495 0.789 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041380050 781396133 /nfs/dbraw/zinc/39/61/33/781396133.db2.gz VHCJWPUMQTWESV-WMZOPIPTSA-N 1 3 348.495 0.789 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041626099 781879038 /nfs/dbraw/zinc/87/90/38/781879038.db2.gz PPVPQYXOJGGLPX-MAUKXSAKSA-N 1 3 336.480 0.517 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001070213286 783670020 /nfs/dbraw/zinc/67/00/20/783670020.db2.gz JGUCLYITVVHASS-PMPSAXMXSA-N 1 3 334.468 0.616 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]CC2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070284396 783789072 /nfs/dbraw/zinc/78/90/72/783789072.db2.gz AXSXZAGLKUXQJK-CVEARBPZSA-N 1 3 343.435 0.776 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001071204370 784729645 /nfs/dbraw/zinc/72/96/45/784729645.db2.gz OLWFCSNPKGFTHR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1)N(C)C ZINC001070873643 784778371 /nfs/dbraw/zinc/77/83/71/784778371.db2.gz SFQWMAGKSHDTJA-OAGGEKHMSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001071343855 784984531 /nfs/dbraw/zinc/98/45/31/784984531.db2.gz JNJVXNYXLKUWRR-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO COCCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@@H]1C ZINC001071890541 785278231 /nfs/dbraw/zinc/27/82/31/785278231.db2.gz NVRUKRWHVPJULV-HOCLYGCPSA-N 1 3 337.468 0.674 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072151732 785753275 /nfs/dbraw/zinc/75/32/75/785753275.db2.gz GFCMGDLJLBKKFD-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001072480274 786250460 /nfs/dbraw/zinc/25/04/60/786250460.db2.gz BRACODSMWUSIOP-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001072480274 786250463 /nfs/dbraw/zinc/25/04/63/786250463.db2.gz BRACODSMWUSIOP-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599321 786741962 /nfs/dbraw/zinc/74/19/62/786741962.db2.gz BBGLXGDAXKQEDF-CVEARBPZSA-N 1 3 327.469 0.713 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599321 786741968 /nfs/dbraw/zinc/74/19/68/786741968.db2.gz BBGLXGDAXKQEDF-CVEARBPZSA-N 1 3 327.469 0.713 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001073672265 786931517 /nfs/dbraw/zinc/93/15/17/786931517.db2.gz KDBUKCULSBXOTH-DLBZAZTESA-N 1 3 341.496 0.696 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001073672265 786931520 /nfs/dbraw/zinc/93/15/20/786931520.db2.gz KDBUKCULSBXOTH-DLBZAZTESA-N 1 3 341.496 0.696 20 0 ECADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073712475 787026114 /nfs/dbraw/zinc/02/61/14/787026114.db2.gz COFSERHONIYXMY-KRWDZBQOSA-N 1 3 349.475 0.604 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073740327 787092384 /nfs/dbraw/zinc/09/23/84/787092384.db2.gz DMTQMYGJEGWSNI-SJORKVTESA-N 1 3 341.496 0.698 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073740327 787092391 /nfs/dbraw/zinc/09/23/91/787092391.db2.gz DMTQMYGJEGWSNI-SJORKVTESA-N 1 3 341.496 0.698 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)CC[N@@H+]1C ZINC001073745865 787111662 /nfs/dbraw/zinc/11/16/62/787111662.db2.gz JZEBPYASXJAFOS-JYJNAYRXSA-N 1 3 327.469 0.306 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)CC[N@H+]1C ZINC001073745865 787111669 /nfs/dbraw/zinc/11/16/69/787111669.db2.gz JZEBPYASXJAFOS-JYJNAYRXSA-N 1 3 327.469 0.306 20 0 ECADHO C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)[C@H]1CCCN1C ZINC001074561976 787262942 /nfs/dbraw/zinc/26/29/42/787262942.db2.gz RSCRLVLXJNIGLR-CWRNSKLLSA-N 1 3 332.448 0.559 20 0 ECADHO C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073899223 787474213 /nfs/dbraw/zinc/47/42/13/787474213.db2.gz NYOJTBQDAGOHIG-MRXNPFEDSA-N 1 3 335.448 0.561 20 0 ECADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[N@H+](CCCO)CCCO2)c1 ZINC001073899235 787474350 /nfs/dbraw/zinc/47/43/50/787474350.db2.gz OFQQPQUHGSGMJS-SFHVURJKSA-N 1 3 349.475 0.951 20 0 ECADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)c1 ZINC001073899235 787474359 /nfs/dbraw/zinc/47/43/59/787474359.db2.gz OFQQPQUHGSGMJS-SFHVURJKSA-N 1 3 349.475 0.951 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001074655016 787515617 /nfs/dbraw/zinc/51/56/17/787515617.db2.gz RIMBGNPJLLFIGA-BPUTZDHNSA-N 1 3 334.464 0.140 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCn2nc(C)nc2C)[C@@H]1C)N(C)C ZINC001074710659 787657651 /nfs/dbraw/zinc/65/76/51/787657651.db2.gz CBDBCHPVRMXAHH-VBNZEHGJSA-N 1 3 336.484 0.814 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)[C@@H]2C)C1 ZINC001074878118 788478169 /nfs/dbraw/zinc/47/81/69/788478169.db2.gz BGNGQFNMHHUFGH-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001072669291 788551906 /nfs/dbraw/zinc/55/19/06/788551906.db2.gz VOCWJEBGPIONMP-ZBFHGGJFSA-N 1 3 338.496 0.632 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001072740412 788682732 /nfs/dbraw/zinc/68/27/32/788682732.db2.gz YUXFIMWNYAMTQU-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001072740412 788682739 /nfs/dbraw/zinc/68/27/39/788682739.db2.gz YUXFIMWNYAMTQU-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072762509 788744266 /nfs/dbraw/zinc/74/42/66/788744266.db2.gz VQUBRVGEJWQOLA-LSDHHAIUSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001072801358 788831604 /nfs/dbraw/zinc/83/16/04/788831604.db2.gz QGNPPUXXLOZFGL-ZBFHGGJFSA-N 1 3 347.463 0.791 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001075167770 789013148 /nfs/dbraw/zinc/01/31/48/789013148.db2.gz PPAHFNOHCDSDOX-ATNYBXOESA-N 1 3 338.496 0.679 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001075189046 789035310 /nfs/dbraw/zinc/03/53/10/789035310.db2.gz MXTXWDNFOAYJHE-UONOGXRCSA-N 1 3 335.452 0.790 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001075189046 789035317 /nfs/dbraw/zinc/03/53/17/789035317.db2.gz MXTXWDNFOAYJHE-UONOGXRCSA-N 1 3 335.452 0.790 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001073093472 789430052 /nfs/dbraw/zinc/43/00/52/789430052.db2.gz VRGVYQOQZNUYQK-UHFFFAOYSA-N 1 3 326.485 0.776 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)C[C@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073128112 789489028 /nfs/dbraw/zinc/48/90/28/789489028.db2.gz RTVHIFMUBULIBN-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073128112 789489035 /nfs/dbraw/zinc/48/90/35/789489035.db2.gz RTVHIFMUBULIBN-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC(C)(NC(=O)CC[NH+](C)C)CC2)C1 ZINC001073260697 789668442 /nfs/dbraw/zinc/66/84/42/789668442.db2.gz QSACRBFBNCYFRF-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO Cc1cc(C)n(CCN2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)n1 ZINC001073425779 789823617 /nfs/dbraw/zinc/82/36/17/789823617.db2.gz HQCAUISDXWBVIZ-KRWDZBQOSA-N 1 3 345.491 0.986 20 0 ECADHO Cc1cc(C)n(CCN2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)n1 ZINC001073425779 789823620 /nfs/dbraw/zinc/82/36/20/789823620.db2.gz HQCAUISDXWBVIZ-KRWDZBQOSA-N 1 3 345.491 0.986 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)C1CC[NH+](C)CC1)N(C)C ZINC001067712897 792170621 /nfs/dbraw/zinc/17/06/21/792170621.db2.gz FTIVLZBSQSMZLR-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CCNCC(=O)N1CCCCC1)[NH+](C)C ZINC001267425186 837397973 /nfs/dbraw/zinc/39/79/73/837397973.db2.gz PAOSQUACHRCAEM-MRXNPFEDSA-N 1 3 326.485 0.633 20 0 ECADHO CN(CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(=O)Cc1c[nH]cn1 ZINC001408633834 837598591 /nfs/dbraw/zinc/59/85/91/837598591.db2.gz YPORGCPFPHPBBQ-ZFWWWQNUSA-N 1 3 335.452 0.647 20 0 ECADHO CN(CCNCC(=O)N(C)CC1CC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266702124 836167575 /nfs/dbraw/zinc/16/75/75/836167575.db2.gz PLLSOEIXHXVURH-INIZCTEOSA-N 1 3 336.480 0.245 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCOCCO)C1 ZINC001267597705 837904045 /nfs/dbraw/zinc/90/40/45/837904045.db2.gz ZPZXYVYHXFFQHM-IAGOWNOFSA-N 1 3 341.496 0.650 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCOCCO)C1 ZINC001267597705 837904054 /nfs/dbraw/zinc/90/40/54/837904054.db2.gz ZPZXYVYHXFFQHM-IAGOWNOFSA-N 1 3 341.496 0.650 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001408693801 838009969 /nfs/dbraw/zinc/00/99/69/838009969.db2.gz PDEHTHNYEZLCGQ-ZBFHGGJFSA-N 1 3 336.480 0.245 20 0 ECADHO CCN(CCNC(=O)[C@H](C(C)C)N(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001408774881 838394655 /nfs/dbraw/zinc/39/46/55/838394655.db2.gz IFFMUWIGHWEAJQ-GJZGRUSLSA-N 1 3 326.485 0.489 20 0 ECADHO CCN(CCNC(=O)[C@H](C(C)C)N(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408774881 838394662 /nfs/dbraw/zinc/39/46/62/838394662.db2.gz IFFMUWIGHWEAJQ-GJZGRUSLSA-N 1 3 326.485 0.489 20 0 ECADHO CCCN(C)CC(=O)NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001408837780 838617434 /nfs/dbraw/zinc/61/74/34/838617434.db2.gz GYLJOMVRIKBSDY-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001408842587 838632963 /nfs/dbraw/zinc/63/29/63/838632963.db2.gz LGTNCXZBYYMIIT-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCCC1=O)N(C)C ZINC001268086279 839288361 /nfs/dbraw/zinc/28/83/61/839288361.db2.gz XJPTZTUMOUQNPC-GOEBONIOSA-N 1 3 326.485 0.632 20 0 ECADHO O=C(C[C@@H]1CC[NH2+]C1)NCCCN1CCN(c2ccncc2)CC1 ZINC000427270458 210188518 /nfs/dbraw/zinc/18/85/18/210188518.db2.gz UQUXPXWICIQTBK-INIZCTEOSA-N 1 3 331.464 0.710 20 0 ECADHO CN(C)[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000354711494 299103341 /nfs/dbraw/zinc/10/33/41/299103341.db2.gz LXBKCRMSLRGHJN-IAGOWNOFSA-N 1 3 346.475 0.534 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCCC34CC[NH+](C)CC4)[C@@H]2C1 ZINC000425380539 210047463 /nfs/dbraw/zinc/04/74/63/210047463.db2.gz FBKHETIUURVHQJ-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@@H+]1C ZINC000425387274 210046941 /nfs/dbraw/zinc/04/69/41/210046941.db2.gz NCQOYNHBVNAXMJ-QKPAOTATSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@H+]1C ZINC000425387274 210046946 /nfs/dbraw/zinc/04/69/46/210046946.db2.gz NCQOYNHBVNAXMJ-QKPAOTATSA-N 1 3 336.480 0.480 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423418379 283231929 /nfs/dbraw/zinc/23/19/29/283231929.db2.gz UMYFFZPBAYOBRG-LSDHHAIUSA-N 1 3 326.485 0.763 20 0 ECADHO c1nc(N2CCOCC2)cc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000420353297 209357185 /nfs/dbraw/zinc/35/71/85/209357185.db2.gz BNZRQPJYKXTMNO-INIZCTEOSA-N 1 3 346.479 0.435 20 0 ECADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420286870 209347380 /nfs/dbraw/zinc/34/73/80/209347380.db2.gz FWAXADHNQMNGEV-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419031029 296034320 /nfs/dbraw/zinc/03/43/20/296034320.db2.gz USPWKIHGIRLGDU-QKPAOTATSA-N 1 3 338.496 0.727 20 0 ECADHO Cc1noc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000124378766 201095399 /nfs/dbraw/zinc/09/53/99/201095399.db2.gz PFHXQJVEGAXHOG-UHFFFAOYSA-N 1 3 335.452 0.985 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419982105 209268652 /nfs/dbraw/zinc/26/86/52/209268652.db2.gz SRHQTUDPMYJADE-HZPDHXFCSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419952910 209258861 /nfs/dbraw/zinc/25/88/61/209258861.db2.gz KGYSEHOFLPKYJS-OAHLLOKOSA-N 1 3 338.496 0.812 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC2C[NH2+]C2)c1 ZINC000419928714 209251890 /nfs/dbraw/zinc/25/18/90/209251890.db2.gz UFIVIHYVUVTMQC-UHFFFAOYSA-N 1 3 332.448 0.221 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419909861 209246718 /nfs/dbraw/zinc/24/67/18/209246718.db2.gz ZLPKHQLCYBRIGH-GJZGRUSLSA-N 1 3 326.485 0.537 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@H]1C[NH3+] ZINC000419768333 209201574 /nfs/dbraw/zinc/20/15/74/209201574.db2.gz CJDPCLBOQOROEE-RBSFLKMASA-N 1 3 338.496 0.666 20 0 ECADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419722532 209187667 /nfs/dbraw/zinc/18/76/67/209187667.db2.gz DQUIDNQIVOXSMN-GDBMZVCRSA-N 1 3 344.459 0.888 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419700299 209177457 /nfs/dbraw/zinc/17/74/57/209177457.db2.gz SGDZKCLHQUZGPR-HRCADAONSA-N 1 3 338.496 0.809 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419698429 209175754 /nfs/dbraw/zinc/17/57/54/209175754.db2.gz SLJYMSLIYZIVLZ-CABCVRRESA-N 1 3 336.480 0.625 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419689165 209171526 /nfs/dbraw/zinc/17/15/26/209171526.db2.gz ACFCISISKUVUJX-KDOFPFPSSA-N 1 3 334.464 0.332 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000419655321 209159055 /nfs/dbraw/zinc/15/90/55/209159055.db2.gz SQBXEZMDMRFODG-XJKSGUPXSA-N 1 3 336.480 0.611 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000419655321 209159057 /nfs/dbraw/zinc/15/90/57/209159057.db2.gz SQBXEZMDMRFODG-XJKSGUPXSA-N 1 3 336.480 0.611 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000419652650 209158414 /nfs/dbraw/zinc/15/84/14/209158414.db2.gz XPUADEDGFJIEOF-QGZVFWFLSA-N 1 3 346.475 0.822 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000419746810 209195177 /nfs/dbraw/zinc/19/51/77/209195177.db2.gz CQQGEKQFLWUNNV-CYBMUJFWSA-N 1 3 342.484 0.106 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000419645144 209154846 /nfs/dbraw/zinc/15/48/46/209154846.db2.gz OZZAIYGLPJMVLI-INIZCTEOSA-N 1 3 336.480 0.611 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419644374 209154433 /nfs/dbraw/zinc/15/44/33/209154433.db2.gz NWYCFDVQIZTDKX-HZPDHXFCSA-N 1 3 332.448 0.751 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)[C@H]1C[NH3+] ZINC000419584878 209133395 /nfs/dbraw/zinc/13/33/95/209133395.db2.gz MNYQZJJOMMIBKI-WWGRRREGSA-N 1 3 342.509 0.126 20 0 ECADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H](CN)C1 ZINC000419552117 209124147 /nfs/dbraw/zinc/12/41/47/209124147.db2.gz WUAJCZKSEYSGNM-HZSPNIEDSA-N 1 3 342.484 0.044 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C1CC1 ZINC000419526098 209116161 /nfs/dbraw/zinc/11/61/61/209116161.db2.gz SFOGQFVULQDTKN-MRXNPFEDSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](NCCN1C(=O)CNC1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000134115655 205393737 /nfs/dbraw/zinc/39/37/37/205393737.db2.gz NRKSWUUDADEKNW-ZDUSSCGKSA-N 1 3 334.420 0.829 20 0 ECADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420028872 209281524 /nfs/dbraw/zinc/28/15/24/209281524.db2.gz HMMKBJJYANGSJI-MRXNPFEDSA-N 1 3 338.496 0.810 20 0 ECADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420028872 209281527 /nfs/dbraw/zinc/28/15/27/209281527.db2.gz HMMKBJJYANGSJI-MRXNPFEDSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419483513 209106689 /nfs/dbraw/zinc/10/66/89/209106689.db2.gz RTRDGQULFCSHPF-IIAWOOMASA-N 1 3 338.496 0.714 20 0 ECADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCN2CCN(CC)CC2)C1(C)C ZINC000444267997 211064935 /nfs/dbraw/zinc/06/49/35/211064935.db2.gz RHCCPZPVTYNTKG-PBHICJAKSA-N 1 3 326.485 0.273 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420041699 284775933 /nfs/dbraw/zinc/77/59/33/284775933.db2.gz PZFXRTSLHGEZLS-MJBXVCDLSA-N 1 3 340.468 0.158 20 0 ECADHO CNC(=O)[C@H]1CCCN1CCC(C)CC[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000411188489 208070272 /nfs/dbraw/zinc/07/02/72/208070272.db2.gz LTYKUSWFDCFWHV-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CNC(=O)[C@H]1CCCN1CCC(C)CC[N@H+]1CCC[C@@H]1C(=O)NC ZINC000411188489 208070275 /nfs/dbraw/zinc/07/02/75/208070275.db2.gz LTYKUSWFDCFWHV-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CC[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000413538700 208340781 /nfs/dbraw/zinc/34/07/81/208340781.db2.gz AGVJQJLMTFWPLB-HNNXBMFYSA-N 1 3 335.452 0.915 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000430717332 210398518 /nfs/dbraw/zinc/39/85/18/210398518.db2.gz YRGBWBWMAIBBFH-UHFFFAOYSA-N 1 3 327.469 0.761 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000414906317 208439904 /nfs/dbraw/zinc/43/99/04/208439904.db2.gz CKEFRVDXUWUYCN-CYBMUJFWSA-N 1 3 348.422 0.963 20 0 ECADHO [NH3+][C@H]1CCC[C@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418595150 208826947 /nfs/dbraw/zinc/82/69/47/208826947.db2.gz WWGUWTLIVIBFEZ-GJZGRUSLSA-N 1 3 339.484 0.548 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419157357 209006088 /nfs/dbraw/zinc/00/60/88/209006088.db2.gz KUEUYGRCUYPKGC-LSDHHAIUSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431697 209094093 /nfs/dbraw/zinc/09/40/93/209094093.db2.gz XQPYKMQYIVANEH-XHSDSOJGSA-N 1 3 340.512 0.960 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431697 209094094 /nfs/dbraw/zinc/09/40/94/209094094.db2.gz XQPYKMQYIVANEH-XHSDSOJGSA-N 1 3 340.512 0.960 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000419171268 209010674 /nfs/dbraw/zinc/01/06/74/209010674.db2.gz OSDXUDWYELFZAC-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419174356 209011875 /nfs/dbraw/zinc/01/18/75/209011875.db2.gz VIYRRONVILRKOB-PMPSAXMXSA-N 1 3 338.496 0.727 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419175451 209013149 /nfs/dbraw/zinc/01/31/49/209013149.db2.gz XPQBNPHGBPBUCI-GJZGRUSLSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000419219552 209030535 /nfs/dbraw/zinc/03/05/35/209030535.db2.gz UANVAFHZENXMBF-CABCVRRESA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000419219552 209030539 /nfs/dbraw/zinc/03/05/39/209030539.db2.gz UANVAFHZENXMBF-CABCVRRESA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419225261 209031660 /nfs/dbraw/zinc/03/16/60/209031660.db2.gz GXWHGGFYEISIDE-BPUTZDHNSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419230267 209033902 /nfs/dbraw/zinc/03/39/02/209033902.db2.gz PPGBRXQWOPMGRM-DLTWYDFYSA-N 1 3 346.475 0.723 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419230267 209033904 /nfs/dbraw/zinc/03/39/04/209033904.db2.gz PPGBRXQWOPMGRM-DLTWYDFYSA-N 1 3 346.475 0.723 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000419367464 209070908 /nfs/dbraw/zinc/07/09/08/209070908.db2.gz DDFGTGGKGDIEQL-HNNXBMFYSA-N 1 3 326.485 0.585 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)CC[NH3+])Cc1ccccc1 ZINC000419369806 209071135 /nfs/dbraw/zinc/07/11/35/209071135.db2.gz IHZIVCZHGAOEDT-INIZCTEOSA-N 1 3 334.464 0.473 20 0 ECADHO Cc1sc(=O)n(CC(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000103213008 296634669 /nfs/dbraw/zinc/63/46/69/296634669.db2.gz VJFSFYCECHMHEM-UHFFFAOYSA-N 1 3 328.482 0.478 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(-n2cccn2)c1 ZINC000121402063 296647265 /nfs/dbraw/zinc/64/72/65/296647265.db2.gz YYMGBHJNHCTJIN-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CCO[C@H]1C[C@](N)(C(=O)NCCN2CCC([NH+](C)C)CC2)C1(C)C ZINC000188246989 286548607 /nfs/dbraw/zinc/54/86/07/286548607.db2.gz FSZHDFQFLWWRDY-YJBOKZPZSA-N 1 3 340.512 0.661 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419096456 298578871 /nfs/dbraw/zinc/57/88/71/298578871.db2.gz CMPPCPHFAVFCJA-XHSDSOJGSA-N 1 3 338.496 0.953 20 0 ECADHO C[N@H+]1C[C@H]2CN(CCC(=O)N3CCN(c4ccccn4)CC3)C[C@H]2C1 ZINC000193601648 165057656 /nfs/dbraw/zinc/05/76/56/165057656.db2.gz QVZQLHRAGPEGTG-CALCHBBNSA-N 1 3 343.475 0.614 20 0 ECADHO C[N@@H+]1C[C@H]2CN(CCC(=O)N3CCN(c4ccccn4)CC3)C[C@H]2C1 ZINC000193601648 165057660 /nfs/dbraw/zinc/05/76/60/165057660.db2.gz QVZQLHRAGPEGTG-CALCHBBNSA-N 1 3 343.475 0.614 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000195519312 165084952 /nfs/dbraw/zinc/08/49/52/165084952.db2.gz DEIVZQHJSLGRGU-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237018034 165094093 /nfs/dbraw/zinc/09/40/93/165094093.db2.gz UFHUNKCJQGCIKV-GJZGRUSLSA-N 1 3 336.480 0.435 20 0 ECADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261941098 165266234 /nfs/dbraw/zinc/26/62/34/165266234.db2.gz XNTFHNKVNUAWHG-ZIAGYGMSSA-N 1 3 344.381 0.509 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)C[C@@H](C)O1 ZINC000262311727 165327650 /nfs/dbraw/zinc/32/76/50/165327650.db2.gz BMTRKUYUAFCNBR-VDERGJSUSA-N 1 3 325.453 0.057 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419407271 209084062 /nfs/dbraw/zinc/08/40/62/209084062.db2.gz JYOMPCVQBMRNBS-GJZGRUSLSA-N 1 3 326.485 0.666 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237017882 263172833 /nfs/dbraw/zinc/17/28/33/263172833.db2.gz XRCQBWJTALQWCE-KGLIPLIRSA-N 1 3 342.509 0.140 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000283803093 264154029 /nfs/dbraw/zinc/15/40/29/264154029.db2.gz WHBAULUKNRZRQV-KRWDZBQOSA-N 1 3 348.491 0.734 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)[NH+]1CCC(C)CC1 ZINC000340196997 437594238 /nfs/dbraw/zinc/59/42/38/437594238.db2.gz LNUZDNKMPLJLFY-MRXNPFEDSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419156438 276016013 /nfs/dbraw/zinc/01/60/13/276016013.db2.gz BZXZZBJXZQJJHO-KRWDZBQOSA-N 1 3 346.475 0.595 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000423278473 277749607 /nfs/dbraw/zinc/74/96/07/277749607.db2.gz QZJDOZYKPSTDLP-HOTGVXAUSA-N 1 3 338.496 0.905 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000418616600 278223258 /nfs/dbraw/zinc/22/32/58/278223258.db2.gz MPMICDRAOSMRBB-CABCVRRESA-N 1 3 326.485 0.911 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423062239 278856815 /nfs/dbraw/zinc/85/68/15/278856815.db2.gz MSCWEAZUNZWVKQ-RHSMWYFYSA-N 1 3 326.485 0.476 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000449736687 279330573 /nfs/dbraw/zinc/33/05/73/279330573.db2.gz XGYOPUPQKCPOMJ-LUKYLMHMSA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC3(CC[NH2+]3)CC2)CC1=O ZINC000424050547 279331021 /nfs/dbraw/zinc/33/10/21/279331021.db2.gz DODIMTZFZLVRGC-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340211919 437601160 /nfs/dbraw/zinc/60/11/60/437601160.db2.gz GLNXSDGDPHULEA-OAHLLOKOSA-N 1 3 326.485 0.683 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340211919 437601163 /nfs/dbraw/zinc/60/11/63/437601163.db2.gz GLNXSDGDPHULEA-OAHLLOKOSA-N 1 3 326.485 0.683 20 0 ECADHO C[C@@H]1C[NH+](CC2CCN(CCN3C(=O)CCC3=O)CC2)C[C@@H](C)O1 ZINC000171304905 288152829 /nfs/dbraw/zinc/15/28/29/288152829.db2.gz BSBVDUAGXZUFQX-HUUCEWRRSA-N 1 3 337.464 0.957 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000340215678 437602937 /nfs/dbraw/zinc/60/29/37/437602937.db2.gz WYPQZZGXMZDLLY-OAGGEKHMSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)N1CCC(C)CC1 ZINC000419383323 280239745 /nfs/dbraw/zinc/23/97/45/280239745.db2.gz ZYSJQOPZBYISDM-CVEARBPZSA-N 1 3 340.512 0.959 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419078797 280248467 /nfs/dbraw/zinc/24/84/67/280248467.db2.gz LQIRHTHTNVAJIQ-BZUAXINKSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000263254672 280274509 /nfs/dbraw/zinc/27/45/09/280274509.db2.gz QCLGFGTYXYMWQJ-HOCLYGCPSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000340216387 437606557 /nfs/dbraw/zinc/60/65/57/437606557.db2.gz PIKDQNWFYSUJHT-HNNXBMFYSA-N 1 3 338.496 0.683 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1(C)C ZINC000418169489 290043510 /nfs/dbraw/zinc/04/35/10/290043510.db2.gz MPASJGSYEIPBLD-HNNXBMFYSA-N 1 3 325.501 0.829 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H]1CN ZINC000419830466 290422756 /nfs/dbraw/zinc/42/27/56/290422756.db2.gz WFZJPHSZQCFKKK-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422822949 290600981 /nfs/dbraw/zinc/60/09/81/290600981.db2.gz CALUSEKHUROHFQ-DLBZAZTESA-N 1 3 332.496 0.966 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC1 ZINC000332619261 297059094 /nfs/dbraw/zinc/05/90/94/297059094.db2.gz NKEIJLASKQXHAH-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC1 ZINC000332667552 297063859 /nfs/dbraw/zinc/06/38/59/297063859.db2.gz YPEVPLZEMAZILQ-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000332692543 297065769 /nfs/dbraw/zinc/06/57/69/297065769.db2.gz UPKXYTDFPHHAFY-GDBMZVCRSA-N 1 3 336.480 0.659 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417370751 295232110 /nfs/dbraw/zinc/23/21/10/295232110.db2.gz STKFWJIZQSSQJI-AWEZNQCLSA-N 1 3 340.493 0.923 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000332938191 297090641 /nfs/dbraw/zinc/09/06/41/297090641.db2.gz YBZCCSBRWADBPV-PMPSAXMXSA-N 1 3 325.501 0.652 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000332938191 297090643 /nfs/dbraw/zinc/09/06/43/297090643.db2.gz YBZCCSBRWADBPV-PMPSAXMXSA-N 1 3 325.501 0.652 20 0 ECADHO N[C@H]1Cc2ccccc2N(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000333602688 297144407 /nfs/dbraw/zinc/14/44/07/297144407.db2.gz QRRURPVTDFTPJG-UONOGXRCSA-N 1 3 326.404 0.733 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCC[C@@H](C)C1 ZINC000333946770 297156645 /nfs/dbraw/zinc/15/66/45/297156645.db2.gz UZVDQFCEVGYVOO-BRWVUGGUSA-N 1 3 337.512 0.796 20 0 ECADHO CCN1CCN(CCC(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000339182766 297324064 /nfs/dbraw/zinc/32/40/64/297324064.db2.gz OZQFBWVOKFSECY-UHFFFAOYSA-N 1 3 340.512 0.631 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000339578258 297361542 /nfs/dbraw/zinc/36/15/42/297361542.db2.gz ZATXHQRBWRTQNO-HUUCEWRRSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000339613384 297364079 /nfs/dbraw/zinc/36/40/79/297364079.db2.gz DNPHKDMFJIWOFR-CABCVRRESA-N 1 3 326.485 0.820 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C(=O)NC1CCN(C2CC2)CC1 ZINC000339753130 297378934 /nfs/dbraw/zinc/37/89/34/297378934.db2.gz IXCFQTGKRBWJKM-UHFFFAOYSA-N 1 3 336.480 0.722 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000340766190 297537781 /nfs/dbraw/zinc/53/77/81/297537781.db2.gz BGLPGFJKRJQQLM-INIZCTEOSA-N 1 3 340.512 0.881 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCCC(=O)N1 ZINC000345142258 298120580 /nfs/dbraw/zinc/12/05/80/298120580.db2.gz AAPBSSZUIWSDML-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCCC(=O)N1 ZINC000345142258 298120582 /nfs/dbraw/zinc/12/05/82/298120582.db2.gz AAPBSSZUIWSDML-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccn[nH]1 ZINC000360991378 300049384 /nfs/dbraw/zinc/04/93/84/300049384.db2.gz VGFPOUGLSITPHX-ILXRZTDVSA-N 1 3 335.452 0.619 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccn[nH]1 ZINC000360991378 300049386 /nfs/dbraw/zinc/04/93/86/300049386.db2.gz VGFPOUGLSITPHX-ILXRZTDVSA-N 1 3 335.452 0.619 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000362565174 300199358 /nfs/dbraw/zinc/19/93/58/300199358.db2.gz RSVMDDGCPLTYQZ-UONOGXRCSA-N 1 3 333.436 0.281 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C(=O)NCCN(C)C ZINC000362962737 300236771 /nfs/dbraw/zinc/23/67/71/300236771.db2.gz GJSLHIYILQHHJU-KFWWJZLASA-N 1 3 326.485 0.393 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C(=O)NCCN(C)C ZINC000362962737 300236772 /nfs/dbraw/zinc/23/67/72/300236772.db2.gz GJSLHIYILQHHJU-KFWWJZLASA-N 1 3 326.485 0.393 20 0 ECADHO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000363145630 300250054 /nfs/dbraw/zinc/25/00/54/300250054.db2.gz PZPBYOSXBRHAFZ-QGZVFWFLSA-N 1 3 338.496 0.336 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000074228239 436114135 /nfs/dbraw/zinc/11/41/35/436114135.db2.gz XQBJQSWDUPAGHO-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000074228239 436114136 /nfs/dbraw/zinc/11/41/36/436114136.db2.gz XQBJQSWDUPAGHO-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000075178760 436154802 /nfs/dbraw/zinc/15/48/02/436154802.db2.gz CFCMJPSMLVTGMK-HNNXBMFYSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000075178760 436154808 /nfs/dbraw/zinc/15/48/08/436154808.db2.gz CFCMJPSMLVTGMK-HNNXBMFYSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000075178760 436154811 /nfs/dbraw/zinc/15/48/11/436154811.db2.gz CFCMJPSMLVTGMK-HNNXBMFYSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000075178760 436154816 /nfs/dbraw/zinc/15/48/16/436154816.db2.gz CFCMJPSMLVTGMK-HNNXBMFYSA-N 1 3 326.485 0.726 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000377057082 301317747 /nfs/dbraw/zinc/31/77/47/301317747.db2.gz ONCJGFWXNOCMHL-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000377560415 301358893 /nfs/dbraw/zinc/35/88/93/301358893.db2.gz GGHGHRPQQYKIAU-RHSMWYFYSA-N 1 3 346.475 0.982 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377806242 301377966 /nfs/dbraw/zinc/37/79/66/301377966.db2.gz CRCYKLCLEDRONT-DLBZAZTESA-N 1 3 348.491 0.389 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377879633 301386903 /nfs/dbraw/zinc/38/69/03/301386903.db2.gz MWPADYBNQFNVBY-GJZGRUSLSA-N 1 3 328.457 0.117 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377879633 301386905 /nfs/dbraw/zinc/38/69/05/301386905.db2.gz MWPADYBNQFNVBY-GJZGRUSLSA-N 1 3 328.457 0.117 20 0 ECADHO CN(CCNC(=O)NCC1(O)CC[NH+](C)CC1)Cc1ccccc1 ZINC000077787075 436252591 /nfs/dbraw/zinc/25/25/91/436252591.db2.gz GMLLWTWGAFRXOE-UHFFFAOYSA-N 1 3 334.464 0.874 20 0 ECADHO COC[C@]1(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC[NH2+]C1 ZINC000516180119 301659172 /nfs/dbraw/zinc/65/91/72/301659172.db2.gz ZIEVCWKIPUCSFW-WMZOPIPTSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1O ZINC000091726567 436457973 /nfs/dbraw/zinc/45/79/73/436457973.db2.gz PMEYJWIOQLDITM-RHSMWYFYSA-N 1 3 338.496 0.957 20 0 ECADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H]1O ZINC000091726566 436459120 /nfs/dbraw/zinc/45/91/20/436459120.db2.gz PMEYJWIOQLDITM-YOEHRIQHSA-N 1 3 338.496 0.957 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000520793681 301778839 /nfs/dbraw/zinc/77/88/39/301778839.db2.gz DTXRGASWBHXDEZ-XHSDSOJGSA-N 1 3 336.480 0.659 20 0 ECADHO CC(=O)N1CCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050799138 436478282 /nfs/dbraw/zinc/47/82/82/436478282.db2.gz KAFDDHCJPITDSB-QGZVFWFLSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)CCOc1ccc(C[NH2+]CCCNS(C)(=O)=O)cc1 ZINC000051187477 436485187 /nfs/dbraw/zinc/48/51/87/436485187.db2.gz XHCUJSFOYYPGGO-UHFFFAOYSA-N 1 3 329.466 0.656 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCN2C)CC1=O ZINC000105328863 436573805 /nfs/dbraw/zinc/57/38/05/436573805.db2.gz AVGYVIHBTDVHAN-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCN2C)CC1=O ZINC000105328863 436573810 /nfs/dbraw/zinc/57/38/10/436573810.db2.gz AVGYVIHBTDVHAN-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]1CNC(=O)CCCCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000105648156 436576360 /nfs/dbraw/zinc/57/63/60/436576360.db2.gz XABVDIHGOKIJNN-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCC[C@H]1CNC(=O)CCCCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000105648156 436576364 /nfs/dbraw/zinc/57/63/64/436576364.db2.gz XABVDIHGOKIJNN-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO O=c1n(CCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc2ccccn21 ZINC000530243707 301999250 /nfs/dbraw/zinc/99/92/50/301999250.db2.gz XNRVLDKOTKMZRC-MRXNPFEDSA-N 1 3 345.447 0.587 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccsc1 ZINC000530880497 302032912 /nfs/dbraw/zinc/03/29/12/302032912.db2.gz FPVPVLLLDYVIGD-UHFFFAOYSA-N 1 3 326.466 0.430 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000530880713 302033386 /nfs/dbraw/zinc/03/33/86/302033386.db2.gz CNXGGQNGQWLWPC-MRXNPFEDSA-N 1 3 346.475 0.991 20 0 ECADHO c1n[nH]c2c1CC[C@@H]([NH2+]C1CCN(CCN3CCOCC3)CC1)C2 ZINC000531734828 302062443 /nfs/dbraw/zinc/06/24/43/302062443.db2.gz RMVKATVZVQDCSD-QGZVFWFLSA-N 1 3 333.480 0.653 20 0 ECADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000547276295 302253426 /nfs/dbraw/zinc/25/34/26/302253426.db2.gz YBDGCZHZFIAJHV-SFHVURJKSA-N 1 3 332.448 0.789 20 0 ECADHO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000551286175 302355536 /nfs/dbraw/zinc/35/55/36/302355536.db2.gz DELKCAKUNNMAQD-KRWDZBQOSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120915231 436701857 /nfs/dbraw/zinc/70/18/57/436701857.db2.gz DOVJPSQTVBDBNP-KFWWJZLASA-N 1 3 326.485 0.935 20 0 ECADHO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CNCCO2)CC1 ZINC000236955525 436719654 /nfs/dbraw/zinc/71/96/54/436719654.db2.gz KYGKOAIVMMURGN-GOSISDBHSA-N 1 3 346.475 0.429 20 0 ECADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CNCCO3)cc2)CC1 ZINC000236964563 436721749 /nfs/dbraw/zinc/72/17/49/436721749.db2.gz NGQBLIPTYMNDAR-QGZVFWFLSA-N 1 3 332.448 0.751 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000122978373 436739078 /nfs/dbraw/zinc/73/90/78/436739078.db2.gz KMXRBABUMFRFCF-SJLPKXTDSA-N 1 3 336.480 0.771 20 0 ECADHO CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1 ZINC000154528171 436780934 /nfs/dbraw/zinc/78/09/34/436780934.db2.gz JPBIKNNKCRFXCF-IAGOWNOFSA-N 1 3 346.475 0.816 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246561661 436782202 /nfs/dbraw/zinc/78/22/02/436782202.db2.gz ZBNMHZFLOIBUFU-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246561661 436782204 /nfs/dbraw/zinc/78/22/04/436782204.db2.gz ZBNMHZFLOIBUFU-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)C[C@H](C)N1C(=O)/C=C/CN(C)C ZINC000279881971 436847661 /nfs/dbraw/zinc/84/76/61/436847661.db2.gz YQQTWDWLNBRYTL-AANMNFATSA-N 1 3 336.480 0.670 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C/CN(C)C)C[C@H](C)N1C(=O)/C=C/C[NH+](C)C ZINC000279881971 436847667 /nfs/dbraw/zinc/84/76/67/436847667.db2.gz YQQTWDWLNBRYTL-AANMNFATSA-N 1 3 336.480 0.670 20 0 ECADHO C[C@@H]1CC[C@@H](C(N)=O)CN1C/C=C/C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000252443015 436830828 /nfs/dbraw/zinc/83/08/28/436830828.db2.gz KRHBODMJWUVXFK-VCFYFLBXSA-N 1 3 336.480 0.714 20 0 ECADHO C[C@@H]1CC[C@@H](C(N)=O)CN1C/C=C/C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000252443015 436830830 /nfs/dbraw/zinc/83/08/30/436830830.db2.gz KRHBODMJWUVXFK-VCFYFLBXSA-N 1 3 336.480 0.714 20 0 ECADHO C[C@@H]1CC[C@H](C(N)=O)CN1C/C=C/C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000252443015 436830835 /nfs/dbraw/zinc/83/08/35/436830835.db2.gz KRHBODMJWUVXFK-VCFYFLBXSA-N 1 3 336.480 0.714 20 0 ECADHO C[C@@H]1CC[C@H](C(N)=O)CN1C/C=C/C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000252443015 436830838 /nfs/dbraw/zinc/83/08/38/436830838.db2.gz KRHBODMJWUVXFK-VCFYFLBXSA-N 1 3 336.480 0.714 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000166453694 436938446 /nfs/dbraw/zinc/93/84/46/436938446.db2.gz FUSBLGBVNWQQNS-SFHVURJKSA-N 1 3 332.448 0.594 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000263278601 436961396 /nfs/dbraw/zinc/96/13/96/436961396.db2.gz ZHCHXQSUWDZQOR-FMKPAKJESA-N 1 3 340.512 0.959 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331455575 437098720 /nfs/dbraw/zinc/09/87/20/437098720.db2.gz DKNJZNVMZVYWJT-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331455575 437098723 /nfs/dbraw/zinc/09/87/23/437098723.db2.gz DKNJZNVMZVYWJT-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO N[C@H](CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000262830324 303372231 /nfs/dbraw/zinc/37/22/31/303372231.db2.gz UXNKTJWIRYKZKS-JKSUJKDBSA-N 1 3 332.448 0.923 20 0 ECADHO [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)C(F)(F)F ZINC000416044137 303384507 /nfs/dbraw/zinc/38/45/07/303384507.db2.gz LTZYUPJQYHHANZ-WDEREUQCSA-N 1 3 326.363 0.412 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000331491757 437105320 /nfs/dbraw/zinc/10/53/20/437105320.db2.gz JQIXDSTYPCBTBE-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000331491757 437105322 /nfs/dbraw/zinc/10/53/22/437105322.db2.gz JQIXDSTYPCBTBE-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000175551828 437111128 /nfs/dbraw/zinc/11/11/28/437111128.db2.gz ZHKWFCRNEGXTCU-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000175551828 437111132 /nfs/dbraw/zinc/11/11/32/437111132.db2.gz ZHKWFCRNEGXTCU-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO CCN1CCN(CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276674258 437146653 /nfs/dbraw/zinc/14/66/53/437146653.db2.gz SAAADPRVWYZFKR-UHFFFAOYSA-N 1 3 330.476 0.742 20 0 ECADHO CN(CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000265369068 437114786 /nfs/dbraw/zinc/11/47/86/437114786.db2.gz GOHNNGYYOZIRBZ-UHFFFAOYSA-N 1 3 348.447 0.776 20 0 ECADHO CC(C)[C@@](C)(CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000265687842 437177041 /nfs/dbraw/zinc/17/70/41/437177041.db2.gz MELZVAXIEAEANJ-GHDHZZGRSA-N 1 3 338.496 0.869 20 0 ECADHO CC(C)[C@@](C)(CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000265687842 437177042 /nfs/dbraw/zinc/17/70/42/437177042.db2.gz MELZVAXIEAEANJ-GHDHZZGRSA-N 1 3 338.496 0.869 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423228402 303531653 /nfs/dbraw/zinc/53/16/53/303531653.db2.gz ZLULHGJPJYLKOP-QFBILLFUSA-N 1 3 348.491 0.675 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000331844442 437167931 /nfs/dbraw/zinc/16/79/31/437167931.db2.gz UCVCANVNCACACL-CAOSSQGBSA-N 1 3 336.480 0.513 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000332579625 437235178 /nfs/dbraw/zinc/23/51/78/437235178.db2.gz AWTAVECXSHDXGE-ARFHVFGLSA-N 1 3 336.480 0.659 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332640384 437239239 /nfs/dbraw/zinc/23/92/39/437239239.db2.gz HKUADWYTFCKVON-JKSUJKDBSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333394169 437269680 /nfs/dbraw/zinc/26/96/80/437269680.db2.gz XXAWMAZNBCHIJY-DZGCQCFKSA-N 1 3 345.451 0.587 20 0 ECADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333394169 437269684 /nfs/dbraw/zinc/26/96/84/437269684.db2.gz XXAWMAZNBCHIJY-DZGCQCFKSA-N 1 3 345.451 0.587 20 0 ECADHO CC(C)N1CCN(CCC[NH2+][C@H](CC(N)=O)C2CCOCC2)CC1 ZINC000337312230 437347284 /nfs/dbraw/zinc/34/72/84/437347284.db2.gz DUQZHZMCZZIZBE-QGZVFWFLSA-N 1 3 340.512 0.663 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000343173546 437525744 /nfs/dbraw/zinc/52/57/44/437525744.db2.gz NUXOJJISNNBGNB-UGUYLWEFSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000343173546 437525750 /nfs/dbraw/zinc/52/57/50/437525750.db2.gz NUXOJJISNNBGNB-UGUYLWEFSA-N 1 3 338.496 0.822 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340486635 437667801 /nfs/dbraw/zinc/66/78/01/437667801.db2.gz SZBLTSNJZQRNKU-HZPDHXFCSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340486635 437667805 /nfs/dbraw/zinc/66/78/05/437667805.db2.gz SZBLTSNJZQRNKU-HZPDHXFCSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340523905 437682276 /nfs/dbraw/zinc/68/22/76/437682276.db2.gz XCQNZAJBHKVDLQ-WBVHZDCISA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340523905 437682281 /nfs/dbraw/zinc/68/22/81/437682281.db2.gz XCQNZAJBHKVDLQ-WBVHZDCISA-N 1 3 348.491 0.674 20 0 ECADHO CCN1CCN(CCC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000356431936 437764591 /nfs/dbraw/zinc/76/45/91/437764591.db2.gz JAYVJHGGMVZBSF-UHFFFAOYSA-N 1 3 326.485 0.241 20 0 ECADHO C[C@H]1C[C@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@@H+]1C ZINC000356480488 437769832 /nfs/dbraw/zinc/76/98/32/437769832.db2.gz ZWOUVYVGIKTQMP-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1C[C@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@H+]1C ZINC000356480488 437769836 /nfs/dbraw/zinc/76/98/36/437769836.db2.gz ZWOUVYVGIKTQMP-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000423597476 437772851 /nfs/dbraw/zinc/77/28/51/437772851.db2.gz UGIUEXKHLMROSY-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415597138 437828347 /nfs/dbraw/zinc/82/83/47/437828347.db2.gz TZPNAXHGJXPHAG-SFHVURJKSA-N 1 3 330.432 0.899 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423616218 437780224 /nfs/dbraw/zinc/78/02/24/437780224.db2.gz UZFYHJQRKJZQRR-CYBMUJFWSA-N 1 3 338.477 0.446 20 0 ECADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423626127 437782022 /nfs/dbraw/zinc/78/20/22/437782022.db2.gz RYWALHXFKNMXAZ-MRXNPFEDSA-N 1 3 338.496 0.907 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCC1 ZINC000423670120 437797496 /nfs/dbraw/zinc/79/74/96/437797496.db2.gz UJSQHUOHODSCTN-UHFFFAOYSA-N 1 3 346.475 0.917 20 0 ECADHO CCN1CCN(CCC(=O)N2CCCN(CC[NH+](C)C)CC2)CC1 ZINC000363561982 437797974 /nfs/dbraw/zinc/79/79/74/437797974.db2.gz GVQQFJNHGFJKEE-UHFFFAOYSA-N 1 3 339.528 0.110 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000423728034 437816160 /nfs/dbraw/zinc/81/61/60/437816160.db2.gz VRMGMHLHEBNMPI-PMPSAXMXSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000423728034 437816163 /nfs/dbraw/zinc/81/61/63/437816163.db2.gz VRMGMHLHEBNMPI-PMPSAXMXSA-N 1 3 338.496 0.905 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415819409 437862928 /nfs/dbraw/zinc/86/29/28/437862928.db2.gz ZUKSQOITBJXUGM-ZBFHGGJFSA-N 1 3 330.432 0.550 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000415826656 437865563 /nfs/dbraw/zinc/86/55/63/437865563.db2.gz CUPWSYIQFNRAED-ZIAGYGMSSA-N 1 3 348.447 0.680 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424364326 437924368 /nfs/dbraw/zinc/92/43/68/437924368.db2.gz QUGGOSTXPWSSER-ZIAGYGMSSA-N 1 3 343.497 0.610 20 0 ECADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000341950558 437930417 /nfs/dbraw/zinc/93/04/17/437930417.db2.gz IMXGTFNTHWDPPF-KZNAEPCWSA-N 1 3 326.529 0.695 20 0 ECADHO [NH3+][C@@H]1CCc2ncc(NC(=O)NCCNc3ccncc3)cc2C1 ZINC000415966167 437882530 /nfs/dbraw/zinc/88/25/30/437882530.db2.gz VUXOYALOWOTICP-CYBMUJFWSA-N 1 3 326.404 0.948 20 0 ECADHO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C(F)(F)F ZINC000416039426 437885196 /nfs/dbraw/zinc/88/51/96/437885196.db2.gz GMARKZGQUKBFHO-GHMZBOCLSA-N 1 3 326.363 0.412 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424151738 437893458 /nfs/dbraw/zinc/89/34/58/437893458.db2.gz HVSVMHHUNZEHSO-UONOGXRCSA-N 1 3 336.440 0.043 20 0 ECADHO COCC(C)(C)N1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000424218088 437904940 /nfs/dbraw/zinc/90/49/40/437904940.db2.gz QKQOPXLEKVFKNB-UHFFFAOYSA-N 1 3 340.512 0.759 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000371270646 437907931 /nfs/dbraw/zinc/90/79/31/437907931.db2.gz GWMIYKWBQYYUMZ-HNNXBMFYSA-N 1 3 334.468 0.239 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000342007089 437939822 /nfs/dbraw/zinc/93/98/22/437939822.db2.gz GVWMKMDGUVRXFF-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@H+](C)C1CC1 ZINC000342075920 437961536 /nfs/dbraw/zinc/96/15/36/437961536.db2.gz OIHZCQIQFPTGLZ-ZFWWWQNUSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@@H+](C)C1CC1 ZINC000342075920 437961541 /nfs/dbraw/zinc/96/15/41/437961541.db2.gz OIHZCQIQFPTGLZ-ZFWWWQNUSA-N 1 3 338.496 0.822 20 0 ECADHO CN(C)CCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000347811023 437963047 /nfs/dbraw/zinc/96/30/47/437963047.db2.gz VKTFOAAWXRNLDO-UHFFFAOYSA-N 1 3 349.435 0.193 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424518402 437965655 /nfs/dbraw/zinc/96/56/55/437965655.db2.gz HVFPTIRLVDRPSQ-DLBZAZTESA-N 1 3 344.459 0.445 20 0 ECADHO C[C@H]([NH2+]CC1(N)CCC1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000342113788 437968419 /nfs/dbraw/zinc/96/84/19/437968419.db2.gz AGQNURICAGMYAL-ZDUSSCGKSA-N 1 3 334.420 0.424 20 0 ECADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]21 ZINC000342117628 437970408 /nfs/dbraw/zinc/97/04/08/437970408.db2.gz ZAUQXTZTETXTJI-GARJFASQSA-N 1 3 336.358 0.824 20 0 ECADHO COCCCN1CCCN(C(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000371763768 437988591 /nfs/dbraw/zinc/98/85/91/437988591.db2.gz BLZLFBBZWRBWGN-UHFFFAOYSA-N 1 3 344.500 0.709 20 0 ECADHO COCCCN1CCCN(C(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000371763768 437988595 /nfs/dbraw/zinc/98/85/95/437988595.db2.gz BLZLFBBZWRBWGN-UHFFFAOYSA-N 1 3 344.500 0.709 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417019377 438013122 /nfs/dbraw/zinc/01/31/22/438013122.db2.gz IRKNWZCIHRTVFQ-GJZGRUSLSA-N 1 3 339.484 0.357 20 0 ECADHO CN(CC[NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417019689 438013400 /nfs/dbraw/zinc/01/34/00/438013400.db2.gz LPMAVLJHIPTUSI-QGZVFWFLSA-N 1 3 333.480 0.965 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000372100855 438034237 /nfs/dbraw/zinc/03/42/37/438034237.db2.gz FMFOPVNSRIBMIO-HNNXBMFYSA-N 1 3 330.476 0.625 20 0 ECADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC000417317389 438039355 /nfs/dbraw/zinc/03/93/55/438039355.db2.gz WNSIBZNPEJTYDN-IRXDYDNUSA-N 1 3 333.480 0.801 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)NCCN2CC[NH2+]CC2)N(C)C)cc1 ZINC000417318888 438039413 /nfs/dbraw/zinc/03/94/13/438039413.db2.gz ZNFBGOAPKVCURY-QGZVFWFLSA-N 1 3 333.480 0.802 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417385838 438046438 /nfs/dbraw/zinc/04/64/38/438046438.db2.gz MJNRCOXKWPUVTL-INIZCTEOSA-N 1 3 348.495 0.748 20 0 ECADHO CN(C(=O)NCCCN1CCN(c2ccncc2)CC1)C1CC([NH3+])C1 ZINC000417387575 438046521 /nfs/dbraw/zinc/04/65/21/438046521.db2.gz NQYFGRVHPWGEIU-UHFFFAOYSA-N 1 3 346.479 0.725 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417435688 438049537 /nfs/dbraw/zinc/04/95/37/438049537.db2.gz ZAJWVSURQVLQCC-KGLIPLIRSA-N 1 3 325.457 0.062 20 0 ECADHO C[N@H+](CCCNC(=O)N1CCOC2(CNC2)C1)Cc1ccccc1 ZINC000416873605 437999702 /nfs/dbraw/zinc/99/97/02/437999702.db2.gz NWYBQFVTVNZXSI-UHFFFAOYSA-N 1 3 332.448 0.892 20 0 ECADHO C[N@@H+](CCCNC(=O)N1CCOC2(CNC2)C1)Cc1ccccc1 ZINC000416873605 437999706 /nfs/dbraw/zinc/99/97/06/437999706.db2.gz NWYBQFVTVNZXSI-UHFFFAOYSA-N 1 3 332.448 0.892 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1=O ZINC000366556718 438094873 /nfs/dbraw/zinc/09/48/73/438094873.db2.gz QGXBDMZNZKLVOQ-BZUAXINKSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000348766720 438095517 /nfs/dbraw/zinc/09/55/17/438095517.db2.gz UKZMLVKCJUWHOX-OAHLLOKOSA-N 1 3 336.480 0.697 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000417754493 438075923 /nfs/dbraw/zinc/07/59/23/438075923.db2.gz PLHDEGJWPDXUJV-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NC[C@H]2CN3CCCC[C@H]3CO2)CC1 ZINC000372365796 438079933 /nfs/dbraw/zinc/07/99/33/438079933.db2.gz LNBJNHUPCWUOBP-IRXDYDNUSA-N 1 3 338.496 0.384 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418158601 438112147 /nfs/dbraw/zinc/11/21/47/438112147.db2.gz CJHFSIWHXDMEHQ-HUUCEWRRSA-N 1 3 325.501 0.924 20 0 ECADHO COC1CC[NH+](C2(CNC(=O)CCOC3CNC3)CCCC2)CC1 ZINC000348992689 438124005 /nfs/dbraw/zinc/12/40/05/438124005.db2.gz IMYYNTCINXYURX-UHFFFAOYSA-N 1 3 339.480 0.905 20 0 ECADHO C[C@H](CC(N)=O)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000358049874 438131726 /nfs/dbraw/zinc/13/17/26/438131726.db2.gz SFJTYJXLGCPEBM-CQSZACIVSA-N 1 3 332.448 0.866 20 0 ECADHO O=C(NCCC[NH2+]Cc1cccnc1)N[C@H]1CNCCC1(F)F ZINC000418332456 438131753 /nfs/dbraw/zinc/13/17/53/438131753.db2.gz SIWYZILVUXZDSP-ZDUSSCGKSA-N 1 3 327.379 0.858 20 0 ECADHO C[NH2+]CC1CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000430928125 438132362 /nfs/dbraw/zinc/13/23/62/438132362.db2.gz KJPPQHREHRKRGZ-QGZVFWFLSA-N 1 3 340.512 0.391 20 0 ECADHO O=C1NC[C@@H]2[C@H]1CCCN2CCCCC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366862551 438137975 /nfs/dbraw/zinc/13/79/75/438137975.db2.gz BUKDQQAQKCQNLI-QBPKDAKJSA-N 1 3 348.491 0.578 20 0 ECADHO O=C1NC[C@@H]2[C@H]1CCCN2CCCCC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366862551 438137979 /nfs/dbraw/zinc/13/79/79/438137979.db2.gz BUKDQQAQKCQNLI-QBPKDAKJSA-N 1 3 348.491 0.578 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000418373478 438135855 /nfs/dbraw/zinc/13/58/55/438135855.db2.gz VDHJLBJUKJCCTO-HNNXBMFYSA-N 1 3 348.495 0.830 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000418373481 438136746 /nfs/dbraw/zinc/13/67/46/438136746.db2.gz VDHJLBJUKJCCTO-OAHLLOKOSA-N 1 3 348.495 0.830 20 0 ECADHO C[C@@H](CCC[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418696767 438176455 /nfs/dbraw/zinc/17/64/55/438176455.db2.gz FEMJOCQSLZAMKD-AWEZNQCLSA-N 1 3 327.473 0.405 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418691331 438177026 /nfs/dbraw/zinc/17/70/26/438177026.db2.gz DOUDQLGIMHLXFE-YESZJQIVSA-N 1 3 334.464 0.906 20 0 ECADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000367181235 438178953 /nfs/dbraw/zinc/17/89/53/438178953.db2.gz XKJVOTWHQPCNBW-LJIZCISZSA-N 1 3 325.453 0.498 20 0 ECADHO [NH3+][C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000418500996 438151396 /nfs/dbraw/zinc/15/13/96/438151396.db2.gz QLJVYWYZAIDYCY-RCCFBDPRSA-N 1 3 346.475 0.906 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418518973 438154451 /nfs/dbraw/zinc/15/44/51/438154451.db2.gz MXIIDOBXVWYPON-UHFFFAOYSA-N 1 3 325.457 0.063 20 0 ECADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CN3CCN2CCC3)o1 ZINC000367019761 438154703 /nfs/dbraw/zinc/15/47/03/438154703.db2.gz JUJIWNJQOCFVHQ-KRWDZBQOSA-N 1 3 334.464 0.868 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418546274 438158559 /nfs/dbraw/zinc/15/85/59/438158559.db2.gz JIVHCDZPCJVZPY-ZBFHGGJFSA-N 1 3 349.479 0.312 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418580683 438162092 /nfs/dbraw/zinc/16/20/92/438162092.db2.gz SYFYBKDANXGKMO-SUMDDJOVSA-N 1 3 346.475 0.921 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418599544 438163894 /nfs/dbraw/zinc/16/38/94/438163894.db2.gz RNIXRSGYRRGQDD-HUUCEWRRSA-N 1 3 339.484 0.180 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000418849264 438216257 /nfs/dbraw/zinc/21/62/57/438216257.db2.gz MJDNEUSXKARLNY-HOTGVXAUSA-N 1 3 332.448 0.129 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000418851411 438216658 /nfs/dbraw/zinc/21/66/58/438216658.db2.gz PUTOYYNQIQGCTF-HZPDHXFCSA-N 1 3 332.448 0.096 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000418864657 438224828 /nfs/dbraw/zinc/22/48/28/438224828.db2.gz IKGNOPMDMDDBFT-HNNXBMFYSA-N 1 3 326.485 0.858 20 0 ECADHO CC(C)OCCN1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433157094 438228338 /nfs/dbraw/zinc/22/83/38/438228338.db2.gz LGZJOEXZCQTFHV-UHFFFAOYSA-N 1 3 340.512 0.759 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CC[NH2+]C)C1 ZINC000418869655 438228660 /nfs/dbraw/zinc/22/86/60/438228660.db2.gz SKPCHXZOULJGIF-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)CN1CCOCC1 ZINC000433166605 438229832 /nfs/dbraw/zinc/22/98/32/438229832.db2.gz GIUURZHXVHYNAV-OAHLLOKOSA-N 1 3 326.485 0.274 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000418877189 438231476 /nfs/dbraw/zinc/23/14/76/438231476.db2.gz NZPOVZRGPCJLRK-QGZVFWFLSA-N 1 3 346.475 0.486 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[C@H]1[NH3+] ZINC000418876187 438232837 /nfs/dbraw/zinc/23/28/37/438232837.db2.gz LTKWNJMSIKMIMO-DJIMGWMZSA-N 1 3 346.475 0.471 20 0 ECADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418902882 438241069 /nfs/dbraw/zinc/24/10/69/438241069.db2.gz APDCJDFJJXPDFB-INIZCTEOSA-N 1 3 332.448 0.793 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000418831836 438204538 /nfs/dbraw/zinc/20/45/38/438204538.db2.gz GRCWOZCSMZNJDB-KRWDZBQOSA-N 1 3 346.475 0.486 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419027562 438296068 /nfs/dbraw/zinc/29/60/68/438296068.db2.gz OVCCPDHNJRINNL-LJISPDSOSA-N 1 3 326.485 0.441 20 0 ECADHO CN(CC(=O)N1CCNC1=O)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367887106 438261727 /nfs/dbraw/zinc/26/17/27/438261727.db2.gz SKUZCXKVTXTZRC-UHFFFAOYSA-N 1 3 331.420 0.782 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000418960323 438266210 /nfs/dbraw/zinc/26/62/10/438266210.db2.gz IPDNZKAVEQERHQ-ZBFHGGJFSA-N 1 3 332.448 0.573 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000418962642 438267113 /nfs/dbraw/zinc/26/71/13/438267113.db2.gz KZVYRNZNGDKCKP-GDBMZVCRSA-N 1 3 332.448 0.491 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC000419020968 438290470 /nfs/dbraw/zinc/29/04/70/438290470.db2.gz AKTHWWKXHDVEJU-ILXRZTDVSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419023126 438291844 /nfs/dbraw/zinc/29/18/44/438291844.db2.gz JDSNNWKEZNVLDA-KGLIPLIRSA-N 1 3 326.485 0.666 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419024483 438293276 /nfs/dbraw/zinc/29/32/76/438293276.db2.gz KWSZZIWCMLZCBH-ZIAGYGMSSA-N 1 3 326.485 0.857 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000419025757 438293472 /nfs/dbraw/zinc/29/34/72/438293472.db2.gz MUNLVDBSTIDPHC-BZUAXINKSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419027993 438295774 /nfs/dbraw/zinc/29/57/74/438295774.db2.gz PNHWDPMQBVXXKM-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO CCOC(=O)[C@](C)(O)CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000368389957 438322436 /nfs/dbraw/zinc/32/24/36/438322436.db2.gz LCDAOQDIQFUMJP-DOTOQJQBSA-N 1 3 327.469 0.260 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000434866649 438329834 /nfs/dbraw/zinc/32/98/34/438329834.db2.gz XRCQBWJTALQWCE-UONOGXRCSA-N 1 3 342.509 0.140 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419130406 438338344 /nfs/dbraw/zinc/33/83/44/438338344.db2.gz BCKADTTWMDMROC-ZDUSSCGKSA-N 1 3 338.477 0.412 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419141509 438345626 /nfs/dbraw/zinc/34/56/26/438345626.db2.gz AUTHVUMLSNFHPG-QAPCUYQASA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419081883 438315578 /nfs/dbraw/zinc/31/55/78/438315578.db2.gz SRAVHAMHBKGHQG-HNNXBMFYSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000419203072 438351799 /nfs/dbraw/zinc/35/17/99/438351799.db2.gz HKKAWRGONTVWNZ-HUUCEWRRSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000419203072 438351801 /nfs/dbraw/zinc/35/18/01/438351801.db2.gz HKKAWRGONTVWNZ-HUUCEWRRSA-N 1 3 346.475 0.998 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419292758 438353746 /nfs/dbraw/zinc/35/37/46/438353746.db2.gz ZLWAXBHTNMTJQE-UHFFFAOYSA-N 1 3 338.496 0.827 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419379382 438356504 /nfs/dbraw/zinc/35/65/04/438356504.db2.gz WQUSTAFZWIHYBL-HZPDHXFCSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419425383 438357533 /nfs/dbraw/zinc/35/75/33/438357533.db2.gz PPBDPZBYAIYNQS-RDBSUJKOSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1CN ZINC000419662470 438364252 /nfs/dbraw/zinc/36/42/52/438364252.db2.gz HTMNVCJYPIQGAI-LSDHHAIUSA-N 1 3 338.496 0.810 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(C4CCCC4)C3)C[C@H]21 ZINC000419692622 438367424 /nfs/dbraw/zinc/36/74/24/438367424.db2.gz HABQINKTNKPZSX-MUIFIZLQSA-N 1 3 348.491 0.705 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419694531 438367582 /nfs/dbraw/zinc/36/75/82/438367582.db2.gz KOZVSZXATKYJGJ-SQWLQELKSA-N 1 3 336.480 0.753 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419692618 438367722 /nfs/dbraw/zinc/36/77/22/438367722.db2.gz GZNPOKHQLHQKIS-FPCVCCKLSA-N 1 3 348.491 0.624 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038616 438383968 /nfs/dbraw/zinc/38/39/68/438383968.db2.gz NCWSOXHAJREGGV-MJBXVCDLSA-N 1 3 340.468 0.157 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038616 438383972 /nfs/dbraw/zinc/38/39/72/438383972.db2.gz NCWSOXHAJREGGV-MJBXVCDLSA-N 1 3 340.468 0.157 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000420123135 438387218 /nfs/dbraw/zinc/38/72/18/438387218.db2.gz AVWRUKDLRPZGJS-KFWWJZLASA-N 1 3 326.485 0.951 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000420123135 438387231 /nfs/dbraw/zinc/38/72/31/438387231.db2.gz AVWRUKDLRPZGJS-KFWWJZLASA-N 1 3 326.485 0.951 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000389889634 438429580 /nfs/dbraw/zinc/42/95/80/438429580.db2.gz UXNFDYNRCRLDSD-DZGCQCFKSA-N 1 3 328.420 0.487 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000359462428 438439795 /nfs/dbraw/zinc/43/97/95/438439795.db2.gz VZMGSLOSHQNGFR-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CO[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000420316813 438400144 /nfs/dbraw/zinc/40/01/44/438400144.db2.gz YNSCMWILIAYDPV-RCCFBDPRSA-N 1 3 348.491 0.844 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000352729761 438466802 /nfs/dbraw/zinc/46/68/02/438466802.db2.gz WPHJANLOHCWLGN-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1(C)C ZINC000408013345 438486360 /nfs/dbraw/zinc/48/63/60/438486360.db2.gz SLQGBMQELIVWTO-HUUCEWRRSA-N 1 3 331.526 0.958 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000421522689 438490767 /nfs/dbraw/zinc/49/07/67/438490767.db2.gz SGOULLLCVDDQFR-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000421522689 438490769 /nfs/dbraw/zinc/49/07/69/438490769.db2.gz SGOULLLCVDDQFR-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000369783167 438515059 /nfs/dbraw/zinc/51/50/59/438515059.db2.gz RUJMLDBOQHUTBP-HNNXBMFYSA-N 1 3 334.468 1.537 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000422104140 438518962 /nfs/dbraw/zinc/51/89/62/438518962.db2.gz OJPQKAORUZLMAV-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000422434869 438568638 /nfs/dbraw/zinc/56/86/38/438568638.db2.gz QXQSQMAFLHLDLV-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000422434869 438568640 /nfs/dbraw/zinc/56/86/40/438568640.db2.gz QXQSQMAFLHLDLV-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779108 438623527 /nfs/dbraw/zinc/62/35/27/438623527.db2.gz KZCMLZDSGACHAH-CABCVRRESA-N 1 3 332.452 0.184 20 0 ECADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779108 438623532 /nfs/dbraw/zinc/62/35/32/438623532.db2.gz KZCMLZDSGACHAH-CABCVRRESA-N 1 3 332.452 0.184 20 0 ECADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779108 438623536 /nfs/dbraw/zinc/62/35/36/438623536.db2.gz KZCMLZDSGACHAH-CABCVRRESA-N 1 3 332.452 0.184 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795741 438624332 /nfs/dbraw/zinc/62/43/32/438624332.db2.gz VIGWOWMPMBKQQA-HZPDHXFCSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795741 438624333 /nfs/dbraw/zinc/62/43/33/438624333.db2.gz VIGWOWMPMBKQQA-HZPDHXFCSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795741 438624336 /nfs/dbraw/zinc/62/43/36/438624336.db2.gz VIGWOWMPMBKQQA-HZPDHXFCSA-N 1 3 331.464 0.789 20 0 ECADHO CN(C)C/C=C\C(=O)N1CC[C@@](C)(CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000493674792 438641587 /nfs/dbraw/zinc/64/15/87/438641587.db2.gz PMCZLUPFJNDLSF-RKHYSIPHSA-N 1 3 336.480 0.577 20 0 ECADHO CN(C)C/C=C\C(=O)NC[C@]1(C)CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000493674792 438641591 /nfs/dbraw/zinc/64/15/91/438641591.db2.gz PMCZLUPFJNDLSF-RKHYSIPHSA-N 1 3 336.480 0.577 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000410730793 438647339 /nfs/dbraw/zinc/64/73/39/438647339.db2.gz NKRCVHFYWMEDJS-XHSDSOJGSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000410730793 438647341 /nfs/dbraw/zinc/64/73/41/438647341.db2.gz NKRCVHFYWMEDJS-XHSDSOJGSA-N 1 3 336.480 0.482 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423227776 438650527 /nfs/dbraw/zinc/65/05/27/438650527.db2.gz WYJZNEUBEPNBOY-IXDOHACOSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000423261680 438654254 /nfs/dbraw/zinc/65/42/54/438654254.db2.gz SQVAQAOFBAPLFT-UHFFFAOYSA-N 1 3 334.464 0.563 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C[C@@H]21 ZINC000410954624 438667745 /nfs/dbraw/zinc/66/77/45/438667745.db2.gz PJRDSGWYXVLEFM-FZKCQIBNSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C[C@@H]21 ZINC000410954624 438667749 /nfs/dbraw/zinc/66/77/49/438667749.db2.gz PJRDSGWYXVLEFM-FZKCQIBNSA-N 1 3 334.464 0.092 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423514964 438681909 /nfs/dbraw/zinc/68/19/09/438681909.db2.gz UUZPSVQEVIWRPX-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO Cc1ccc(CNC2CC[NH+](CCN3CCOCC3)CC2)c(=O)n1C ZINC000494496486 438694595 /nfs/dbraw/zinc/69/45/95/438694595.db2.gz POKMFTCOFJBUBG-UHFFFAOYSA-N 1 3 348.491 0.580 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414898960 438720392 /nfs/dbraw/zinc/72/03/92/438720392.db2.gz BGZGIZASKWXNSM-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414898960 438720395 /nfs/dbraw/zinc/72/03/95/438720395.db2.gz BGZGIZASKWXNSM-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574771269 438720618 /nfs/dbraw/zinc/72/06/18/438720618.db2.gz RKXAWIFKWVFNQN-ILXRZTDVSA-N 1 3 337.468 0.204 20 0 ECADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574771269 438720621 /nfs/dbraw/zinc/72/06/21/438720621.db2.gz RKXAWIFKWVFNQN-ILXRZTDVSA-N 1 3 337.468 0.204 20 0 ECADHO COCC1(C(=O)NC[C@H](O)CN2CCC(C)CC2)CC[NH2+]CC1 ZINC000574873701 438724566 /nfs/dbraw/zinc/72/45/66/438724566.db2.gz GUNHNHQWACIHAI-HNNXBMFYSA-N 1 3 327.469 0.212 20 0 ECADHO CCOC[C@H](O)CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000575248875 438742915 /nfs/dbraw/zinc/74/29/15/438742915.db2.gz WQHJVSGHGWFUAV-ZWKOTPCHSA-N 1 3 349.475 0.871 20 0 ECADHO CCOC[C@H](O)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000575248875 438742917 /nfs/dbraw/zinc/74/29/17/438742917.db2.gz WQHJVSGHGWFUAV-ZWKOTPCHSA-N 1 3 349.475 0.871 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(=O)N(C4CC4)C3)CC2)CC1 ZINC000553239248 438747722 /nfs/dbraw/zinc/74/77/22/438747722.db2.gz GUPAOXCPOBPXJQ-UHFFFAOYSA-N 1 3 348.491 0.973 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000557186149 438795974 /nfs/dbraw/zinc/79/59/74/438795974.db2.gz NLNKOSCVLPWCSO-HZPDHXFCSA-N 1 3 347.463 0.915 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000576809011 438799943 /nfs/dbraw/zinc/79/99/43/438799943.db2.gz VBXIZOXJXKWMTL-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000576036560 438765482 /nfs/dbraw/zinc/76/54/82/438765482.db2.gz XDHQGRHGTKEUDI-SFHVURJKSA-N 1 3 330.476 0.969 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576054182 438766892 /nfs/dbraw/zinc/76/68/92/438766892.db2.gz SUGCOZLAGVZRON-XHSDSOJGSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000576099462 438767747 /nfs/dbraw/zinc/76/77/47/438767747.db2.gz RDLOMNXVUOYHSA-CQSZACIVSA-N 1 3 338.496 0.905 20 0 ECADHO CN1CCN(C[C@@H](O)CNCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000576487731 438785687 /nfs/dbraw/zinc/78/56/87/438785687.db2.gz DUKGOIBFVJBUFZ-FQEVSTJZSA-N 1 3 346.519 0.980 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(=O)OC)CC2)CC1 ZINC000577089066 438811145 /nfs/dbraw/zinc/81/11/45/438811145.db2.gz JLKVZNOAEIELJO-CYBMUJFWSA-N 1 3 325.453 0.860 20 0 ECADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000514675793 438823056 /nfs/dbraw/zinc/82/30/56/438823056.db2.gz KEDMZBBWTZKIDT-OAHLLOKOSA-N 1 3 346.479 0.493 20 0 ECADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000514675793 438823066 /nfs/dbraw/zinc/82/30/66/438823066.db2.gz KEDMZBBWTZKIDT-OAHLLOKOSA-N 1 3 346.479 0.493 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1CCCN1CCCO)C[NH+]1CCCC1 ZINC000457885214 438838434 /nfs/dbraw/zinc/83/84/34/438838434.db2.gz PRPRZWPSJGRDFD-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000515057352 438848577 /nfs/dbraw/zinc/84/85/77/438848577.db2.gz XSDKROQIPQSQCW-MRXNPFEDSA-N 1 3 348.447 0.653 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595961886 438902967 /nfs/dbraw/zinc/90/29/67/438902967.db2.gz VYPXDIAXXVDYMQ-JKSUJKDBSA-N 1 3 349.431 0.150 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595961886 438902972 /nfs/dbraw/zinc/90/29/72/438902972.db2.gz VYPXDIAXXVDYMQ-JKSUJKDBSA-N 1 3 349.431 0.150 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)N1CCN(C)CC1 ZINC000577830967 438873999 /nfs/dbraw/zinc/87/39/99/438873999.db2.gz LLDKQFUXYUZCOP-KBPBESRZSA-N 1 3 347.454 0.555 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1=O ZINC000595895400 438879902 /nfs/dbraw/zinc/87/99/02/438879902.db2.gz LNLQXJBFPNVCNV-OAGGEKHMSA-N 1 3 337.464 0.862 20 0 ECADHO C[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000458423293 438885313 /nfs/dbraw/zinc/88/53/13/438885313.db2.gz CEXFJWNNHPYAAX-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000458423293 438885318 /nfs/dbraw/zinc/88/53/18/438885318.db2.gz CEXFJWNNHPYAAX-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO CCOC(=O)c1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)on1 ZINC000590632654 438943295 /nfs/dbraw/zinc/94/32/95/438943295.db2.gz KXANBONYIKXBQP-UHFFFAOYSA-N 1 3 326.397 0.417 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000459299062 438958520 /nfs/dbraw/zinc/95/85/20/438958520.db2.gz JZLXDRTYVUNUDP-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000459299062 438958521 /nfs/dbraw/zinc/95/85/21/438958521.db2.gz JZLXDRTYVUNUDP-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO CC[NH+](CC)CCOC1CCN(CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000459367865 438960570 /nfs/dbraw/zinc/96/05/70/438960570.db2.gz VPJFKSWQFRQBOR-AWEZNQCLSA-N 1 3 340.468 0.750 20 0 ECADHO C[C@@H](CNC[C@H](O)CN1C(=O)c2ccccc2C1=O)C[NH+]1CCCC1 ZINC000517556476 438968001 /nfs/dbraw/zinc/96/80/01/438968001.db2.gz KWHSHTYPIUVBBQ-GJZGRUSLSA-N 1 3 345.443 0.965 20 0 ECADHO C[C@@H](C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)CN1CCCC1 ZINC000517556476 438968005 /nfs/dbraw/zinc/96/80/05/438968005.db2.gz KWHSHTYPIUVBBQ-GJZGRUSLSA-N 1 3 345.443 0.965 20 0 ECADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000517721501 438974832 /nfs/dbraw/zinc/97/48/32/438974832.db2.gz MLFOYBSQOMXTLX-UHFFFAOYSA-N 1 3 345.447 0.235 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCN(C)C2)CC1=O ZINC000591642768 439042764 /nfs/dbraw/zinc/04/27/64/439042764.db2.gz JLEHKAWYISCURU-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCN(C)C2)CC1=O ZINC000591642768 439042767 /nfs/dbraw/zinc/04/27/67/439042767.db2.gz JLEHKAWYISCURU-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO COC(=O)C1CCN(C(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000591658939 439051194 /nfs/dbraw/zinc/05/11/94/439051194.db2.gz UQPCFQAYLUSIIW-CQSZACIVSA-N 1 3 337.464 0.862 20 0 ECADHO COCCOC[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000580064325 439059073 /nfs/dbraw/zinc/05/90/73/439059073.db2.gz XFAYAWLDGIVYFB-BRWVUGGUSA-N 1 3 330.469 0.368 20 0 ECADHO COCCOC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000580064325 439059077 /nfs/dbraw/zinc/05/90/77/439059077.db2.gz XFAYAWLDGIVYFB-BRWVUGGUSA-N 1 3 330.469 0.368 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000471662014 439092314 /nfs/dbraw/zinc/09/23/14/439092314.db2.gz ITTUXFDPARNIJU-UHFFFAOYSA-N 1 3 330.473 0.053 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000471662014 439092322 /nfs/dbraw/zinc/09/23/22/439092322.db2.gz ITTUXFDPARNIJU-UHFFFAOYSA-N 1 3 330.473 0.053 20 0 ECADHO C[C@H]1CCCCN1CCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602469441 439093112 /nfs/dbraw/zinc/09/31/12/439093112.db2.gz SZWCOLWAQDOSFH-RCDICMHDSA-N 1 3 329.510 0.868 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000602512066 439102891 /nfs/dbraw/zinc/10/28/91/439102891.db2.gz VUAVPURPCKEJLQ-KRWDZBQOSA-N 1 3 341.452 0.133 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]1 ZINC000580632566 439113795 /nfs/dbraw/zinc/11/37/95/439113795.db2.gz OZFRRHBWTNUGEP-GJZGRUSLSA-N 1 3 337.468 0.077 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000460081692 439076251 /nfs/dbraw/zinc/07/62/51/439076251.db2.gz MMJBHIWGRKRFCZ-SFHVURJKSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000460081692 439076255 /nfs/dbraw/zinc/07/62/55/439076255.db2.gz MMJBHIWGRKRFCZ-SFHVURJKSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)C1(CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CCCCC1 ZINC000602430062 439082830 /nfs/dbraw/zinc/08/28/30/439082830.db2.gz KIRFVLRLBNPUBP-JOCHJYFZSA-N 1 3 329.510 0.868 20 0 ECADHO CN(C)CCOCCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000471637716 439086098 /nfs/dbraw/zinc/08/60/98/439086098.db2.gz YXBQOWYUNYGIRD-INIZCTEOSA-N 1 3 326.485 0.938 20 0 ECADHO CN(C)CCOCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000471637716 439086105 /nfs/dbraw/zinc/08/61/05/439086105.db2.gz YXBQOWYUNYGIRD-INIZCTEOSA-N 1 3 326.485 0.938 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000581126401 439172151 /nfs/dbraw/zinc/17/21/51/439172151.db2.gz JDBKBDICBBUDAF-UHFFFAOYSA-N 1 3 336.465 0.892 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000567262530 439128475 /nfs/dbraw/zinc/12/84/75/439128475.db2.gz SLUSWJKVKBFGNY-SJORKVTESA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000567262530 439128480 /nfs/dbraw/zinc/12/84/80/439128480.db2.gz SLUSWJKVKBFGNY-SJORKVTESA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000567262530 439128483 /nfs/dbraw/zinc/12/84/83/439128483.db2.gz SLUSWJKVKBFGNY-SJORKVTESA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000521875245 439131195 /nfs/dbraw/zinc/13/11/95/439131195.db2.gz WFAPEYNHIXNEMO-OLZOCXBDSA-N 1 3 340.493 0.880 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000567362013 439136304 /nfs/dbraw/zinc/13/63/04/439136304.db2.gz HPGQNHOFBMKFNF-AEFFLSMTSA-N 1 3 345.491 0.854 20 0 ECADHO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H](N2CCCCC2)C1 ZINC000580946519 439150477 /nfs/dbraw/zinc/15/04/77/439150477.db2.gz JFHCFBDBZZUUFO-OWCLPIDISA-N 1 3 334.464 0.426 20 0 ECADHO CCOC(=O)CCCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000602877445 439150834 /nfs/dbraw/zinc/15/08/34/439150834.db2.gz NSJAEQKPNMPBFD-UHFFFAOYSA-N 1 3 325.453 0.864 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccn1 ZINC000580941910 439151034 /nfs/dbraw/zinc/15/10/34/439151034.db2.gz KGRWATRKQWVGGZ-CVEARBPZSA-N 1 3 347.463 0.773 20 0 ECADHO COC(=O)CCN1CCC[C@@H](N2CCC3(C2)CC[NH+](C)CC3)C1=O ZINC000602878399 439151176 /nfs/dbraw/zinc/15/11/76/439151176.db2.gz RJZDDONJQUEJFW-OAHLLOKOSA-N 1 3 337.464 0.958 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000581503908 439219483 /nfs/dbraw/zinc/21/94/83/439219483.db2.gz LGJQVMLQINPMLY-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(CSCC[NH3+])nn1 ZINC000603266824 439225056 /nfs/dbraw/zinc/22/50/56/439225056.db2.gz ZVYZNKVAGSSBFR-MRXNPFEDSA-N 1 3 335.477 0.963 20 0 ECADHO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccn1 ZINC000597942712 439202698 /nfs/dbraw/zinc/20/26/98/439202698.db2.gz LWQPMXGTTRAMPC-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccn1 ZINC000597942712 439202702 /nfs/dbraw/zinc/20/27/02/439202702.db2.gz LWQPMXGTTRAMPC-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO Cc1csc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000582050869 439283435 /nfs/dbraw/zinc/28/34/35/439283435.db2.gz JNAPQYDKVUOYEZ-UHFFFAOYSA-N 1 3 341.481 0.020 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)C2)CC1 ZINC000568508688 439252781 /nfs/dbraw/zinc/25/27/81/439252781.db2.gz LNURRXCENFYGII-DLBZAZTESA-N 1 3 338.496 0.382 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CCSC1 ZINC000592957160 439320028 /nfs/dbraw/zinc/32/00/28/439320028.db2.gz LISFIJXONJILBB-MLGOLLRUSA-N 1 3 337.493 0.886 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582350625 439322639 /nfs/dbraw/zinc/32/26/39/439322639.db2.gz DUYVWTKPXIUCGU-QAPCUYQASA-N 1 3 336.480 0.579 20 0 ECADHO CCN1CCN(CCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592961837 439323796 /nfs/dbraw/zinc/32/37/96/439323796.db2.gz QVVUQQQRXPKJAH-CQSZACIVSA-N 1 3 334.468 0.087 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000604634197 439323910 /nfs/dbraw/zinc/32/39/10/439323910.db2.gz IFCFOFUXWXENGB-QGZVFWFLSA-N 1 3 337.512 0.894 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569334073 439324082 /nfs/dbraw/zinc/32/40/82/439324082.db2.gz WLLLXZUXVPETIQ-ZIAGYGMSSA-N 1 3 347.454 0.556 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000569344459 439326417 /nfs/dbraw/zinc/32/64/17/439326417.db2.gz MCPMGLFVAJRWAA-RDJZCZTQSA-N 1 3 348.495 0.563 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)COC1CCC([NH3+])CC1 ZINC000569807939 439364738 /nfs/dbraw/zinc/36/47/38/439364738.db2.gz FWSRXJOZOPGDAG-UHFFFAOYSA-N 1 3 326.485 0.369 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000569621620 439351225 /nfs/dbraw/zinc/35/12/25/439351225.db2.gz UTCVNHZTFAQXHB-VNQPRFMTSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000569986934 439379341 /nfs/dbraw/zinc/37/93/41/439379341.db2.gz KVOWUJCCZOHIAU-MRXNPFEDSA-N 1 3 338.496 0.241 20 0 ECADHO CC(C)COC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000570155681 439395256 /nfs/dbraw/zinc/39/52/56/439395256.db2.gz OVGDAXIZSUGMAD-QGZVFWFLSA-N 1 3 343.512 0.406 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000570035836 439386223 /nfs/dbraw/zinc/38/62/23/439386223.db2.gz ZZKKWQWGKPXHMB-LSDHHAIUSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000570663727 439438822 /nfs/dbraw/zinc/43/88/22/439438822.db2.gz UMHPEOFUQZJDIA-ZDUSSCGKSA-N 1 3 330.432 0.945 20 0 ECADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000570663727 439438826 /nfs/dbraw/zinc/43/88/26/439438826.db2.gz UMHPEOFUQZJDIA-ZDUSSCGKSA-N 1 3 330.432 0.945 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCN1CCOC(C)(C)C1 ZINC000607239653 439446923 /nfs/dbraw/zinc/44/69/23/439446923.db2.gz AHHXNRQCUCYILB-UHFFFAOYSA-N 1 3 343.516 0.232 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000583375422 439455145 /nfs/dbraw/zinc/45/51/45/439455145.db2.gz DUUBNXZCVDWSPR-HRCADAONSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000583820270 439514952 /nfs/dbraw/zinc/51/49/52/439514952.db2.gz VYTACBDWNUTDGZ-LSDHHAIUSA-N 1 3 332.452 0.327 20 0 ECADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CCCN(C)C3)C2)CC1 ZINC000610733007 439642655 /nfs/dbraw/zinc/64/26/55/439642655.db2.gz BJRIECXGWGYVKD-DLBZAZTESA-N 1 3 337.512 0.891 20 0 ECADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000594945944 439643635 /nfs/dbraw/zinc/64/36/35/439643635.db2.gz JIBXXMZDPNGWCL-OWCLPIDISA-N 1 3 339.480 0.570 20 0 ECADHO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)Cc2ccccc21 ZINC000600770858 439700479 /nfs/dbraw/zinc/70/04/79/439700479.db2.gz CYVIUUQWFUOOMY-WMLDXEAASA-N 1 3 345.443 0.956 20 0 ECADHO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)Cc2ccccc21 ZINC000600770858 439700486 /nfs/dbraw/zinc/70/04/86/439700486.db2.gz CYVIUUQWFUOOMY-WMLDXEAASA-N 1 3 345.443 0.956 20 0 ECADHO O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000574381687 439701807 /nfs/dbraw/zinc/70/18/07/439701807.db2.gz BSNJDNBHQJSMBJ-OAHLLOKOSA-N 1 3 342.443 0.968 20 0 ECADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000612479532 439714364 /nfs/dbraw/zinc/71/43/64/439714364.db2.gz CZOLDNAVSGSANX-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000612479530 439715626 /nfs/dbraw/zinc/71/56/26/439715626.db2.gz CZOLDNAVSGSANX-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO COC(=O)CCN1CCC[C@@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000595296527 439693287 /nfs/dbraw/zinc/69/32/87/439693287.db2.gz KNSJULQXHRBQGC-OAHLLOKOSA-N 1 3 325.453 0.814 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612968597 439747750 /nfs/dbraw/zinc/74/77/50/439747750.db2.gz BVDUTXALYHSPOG-HNNXBMFYSA-N 1 3 349.479 0.078 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000612544423 439726289 /nfs/dbraw/zinc/72/62/89/439726289.db2.gz CQNUVSGYEITJSJ-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612914250 439745462 /nfs/dbraw/zinc/74/54/62/439745462.db2.gz CSUOQQXTWNDCTE-KGLIPLIRSA-N 1 3 349.483 0.446 20 0 ECADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614845631 439788682 /nfs/dbraw/zinc/78/86/82/439788682.db2.gz CYZMYGUWGUUPMO-ZWKOTPCHSA-N 1 3 333.476 0.980 20 0 ECADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614845631 439788683 /nfs/dbraw/zinc/78/86/83/439788683.db2.gz CYZMYGUWGUUPMO-ZWKOTPCHSA-N 1 3 333.476 0.980 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2(NC3CC3)CCC2)CC1 ZINC000662727079 439860791 /nfs/dbraw/zinc/86/07/91/439860791.db2.gz PNQAEPGCEIJTRP-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000636441871 439882149 /nfs/dbraw/zinc/88/21/49/439882149.db2.gz VXQXNESJXOJIGC-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO COCCN(C)CCCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662685585 439846518 /nfs/dbraw/zinc/84/65/18/439846518.db2.gz VHOGTYAZIAZAPK-CQSZACIVSA-N 1 3 338.456 0.291 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNC(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000631803149 439927303 /nfs/dbraw/zinc/92/73/03/439927303.db2.gz NLBYYCLSYUBWJW-UHFFFAOYSA-N 1 3 337.468 0.410 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000652705657 439931652 /nfs/dbraw/zinc/93/16/52/439931652.db2.gz LYQCFSVLUXPWTK-CABCVRRESA-N 1 3 326.485 0.666 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000652705657 439931658 /nfs/dbraw/zinc/93/16/58/439931658.db2.gz LYQCFSVLUXPWTK-CABCVRRESA-N 1 3 326.485 0.666 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000652705659 439933973 /nfs/dbraw/zinc/93/39/73/439933973.db2.gz LYQCFSVLUXPWTK-HUUCEWRRSA-N 1 3 326.485 0.666 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000652705659 439933978 /nfs/dbraw/zinc/93/39/78/439933978.db2.gz LYQCFSVLUXPWTK-HUUCEWRRSA-N 1 3 326.485 0.666 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000662803111 439895253 /nfs/dbraw/zinc/89/52/53/439895253.db2.gz VKBANTUOXXVFKA-KURKYZTESA-N 1 3 347.459 0.758 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCO1 ZINC000646851484 439905129 /nfs/dbraw/zinc/90/51/29/439905129.db2.gz VSYOGPMZDRNPDS-XIRDDKMYSA-N 1 3 332.448 0.868 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673333 439912311 /nfs/dbraw/zinc/91/23/11/439912311.db2.gz LWANWXARJACAIU-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662859469 439917425 /nfs/dbraw/zinc/91/74/25/439917425.db2.gz NEKCQYXNDSJTEV-LNLFQRSKSA-N 1 3 329.444 0.869 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642330490 439971282 /nfs/dbraw/zinc/97/12/82/439971282.db2.gz MQUGFKIOVYRRLX-QXSJWSMHSA-N 1 3 338.496 0.727 20 0 ECADHO CCCN1CCC(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631916749 439979752 /nfs/dbraw/zinc/97/97/52/439979752.db2.gz DMOUJSLQUAFPIK-UHFFFAOYSA-N 1 3 332.514 0.627 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636658549 439980606 /nfs/dbraw/zinc/98/06/06/439980606.db2.gz RKOSFQNVMOXTQX-GDBMZVCRSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636658549 439980612 /nfs/dbraw/zinc/98/06/12/439980612.db2.gz RKOSFQNVMOXTQX-GDBMZVCRSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642431177 439980897 /nfs/dbraw/zinc/98/08/97/439980897.db2.gz MMFWWXGSWRRARF-BZUAXINKSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000642439508 439981972 /nfs/dbraw/zinc/98/19/72/439981972.db2.gz JZBBGWOWINXXOI-FZKCQIBNSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2CCN(C)C)C[NH2+]1 ZINC000626891876 439942426 /nfs/dbraw/zinc/94/24/26/439942426.db2.gz COBNHBDMAWWOLD-ZFWWWQNUSA-N 1 3 332.448 0.986 20 0 ECADHO Cc1cc(NC(=O)C(=O)NCCOCCC[NH3+])ccc1CN(C)C ZINC000626894323 439944366 /nfs/dbraw/zinc/94/43/66/439944366.db2.gz DKEHYYXULJKZPY-UHFFFAOYSA-N 1 3 336.436 0.477 20 0 ECADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000662929175 439947772 /nfs/dbraw/zinc/94/77/72/439947772.db2.gz AVGAYSOYRKXXRN-UHFFFAOYSA-N 1 3 334.464 0.413 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000642094926 439947983 /nfs/dbraw/zinc/94/79/83/439947983.db2.gz SPOYRWUQYHGZNB-SJORKVTESA-N 1 3 346.475 0.534 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000652737862 439957307 /nfs/dbraw/zinc/95/73/07/439957307.db2.gz XEIPMTKUBKYXFH-GOSISDBHSA-N 1 3 336.480 0.533 20 0 ECADHO [NH3+]CCCNC(=O)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000642253623 439961881 /nfs/dbraw/zinc/96/18/81/439961881.db2.gz BUOIHMRPJAGAAV-MRXNPFEDSA-N 1 3 332.448 0.480 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000642262605 439964353 /nfs/dbraw/zinc/96/43/53/439964353.db2.gz KJWXIZOJXQNLMM-RDJZCZTQSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017348 439992833 /nfs/dbraw/zinc/99/28/33/439992833.db2.gz JKOJEGVDDZYQJH-RRFJBIMHSA-N 1 3 346.479 0.523 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642641294 439997592 /nfs/dbraw/zinc/99/75/92/439997592.db2.gz HFDMQTQZRGSKKV-GDBMZVCRSA-N 1 3 334.464 0.723 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631941438 439999780 /nfs/dbraw/zinc/99/97/80/439999780.db2.gz XHFMUHMVZKZTFG-CVEARBPZSA-N 1 3 345.509 0.630 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000631944536 440003159 /nfs/dbraw/zinc/00/31/59/440003159.db2.gz AARSRGGRGKTJHF-GJZGRUSLSA-N 1 3 333.498 0.486 20 0 ECADHO COCCNCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627083375 440005804 /nfs/dbraw/zinc/00/58/04/440005804.db2.gz RITDVCIIADXDGU-WDEREUQCSA-N 1 3 326.363 0.391 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627149954 440021841 /nfs/dbraw/zinc/02/18/41/440021841.db2.gz URVNRSRJVOZDMC-AWEZNQCLSA-N 1 3 340.468 0.389 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000642785867 440038805 /nfs/dbraw/zinc/03/88/05/440038805.db2.gz OOIWUTAHAMXYPB-QGZVFWFLSA-N 1 3 348.491 0.578 20 0 ECADHO [NH3+]C1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCOCC1 ZINC000627164886 440027257 /nfs/dbraw/zinc/02/72/57/440027257.db2.gz ZJPPDUXYVXLZSI-UHFFFAOYSA-N 1 3 340.468 0.248 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000642756424 440028551 /nfs/dbraw/zinc/02/85/51/440028551.db2.gz QCHVCVMOIUGLCU-UHFFFAOYSA-N 1 3 348.447 0.906 20 0 ECADHO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663015054 439988128 /nfs/dbraw/zinc/98/81/28/439988128.db2.gz QFGVTGHDDLRVQO-HUUCEWRRSA-N 1 3 346.479 0.525 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000642943435 440067480 /nfs/dbraw/zinc/06/74/80/440067480.db2.gz LNSIHXNMGOBNOH-HZPDHXFCSA-N 1 3 338.496 0.999 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653113027 440069047 /nfs/dbraw/zinc/06/90/47/440069047.db2.gz QHHUYMZFKQIGEG-YJBOKZPZSA-N 1 3 333.432 0.479 20 0 ECADHO O=C(N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653166143 440088508 /nfs/dbraw/zinc/08/85/08/440088508.db2.gz ZGHGHRDZVQROGK-GNBUJSLZSA-N 1 3 341.455 0.955 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642809743 440047674 /nfs/dbraw/zinc/04/76/74/440047674.db2.gz CUQPTKWNVOQMSQ-KKUMJFAQSA-N 1 3 336.480 0.433 20 0 ECADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000642906645 440058371 /nfs/dbraw/zinc/05/83/71/440058371.db2.gz ZPNVAQVBFIZBBS-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO CCN(C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)[C@H]1CCN(CC)C1 ZINC000658820934 440134696 /nfs/dbraw/zinc/13/46/96/440134696.db2.gz HJJKFQCBDAMUPV-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653386249 440145096 /nfs/dbraw/zinc/14/50/96/440145096.db2.gz UFJBZBLZEHJZSL-UHFFFAOYSA-N 1 3 326.485 0.779 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653386249 440145101 /nfs/dbraw/zinc/14/51/01/440145101.db2.gz UFJBZBLZEHJZSL-UHFFFAOYSA-N 1 3 326.485 0.779 20 0 ECADHO C[C@H](CN1CCOCC1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663639880 440138937 /nfs/dbraw/zinc/13/89/37/440138937.db2.gz YXXKXKZZNTVYDE-JKSUJKDBSA-N 1 3 343.516 0.278 20 0 ECADHO C[C@H](CN1CCOCC1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663639880 440138945 /nfs/dbraw/zinc/13/89/45/440138945.db2.gz YXXKXKZZNTVYDE-JKSUJKDBSA-N 1 3 343.516 0.278 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@@H]1CCN(CC)C1 ZINC000658827761 440140565 /nfs/dbraw/zinc/14/05/65/440140565.db2.gz WLGFKAVZPBNSAL-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO O=C(NC1CCN(C2CC2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663545561 440095616 /nfs/dbraw/zinc/09/56/16/440095616.db2.gz MRQSOEXHCDHLJB-KRWDZBQOSA-N 1 3 336.480 0.854 20 0 ECADHO O=C(NC1CCN(C2CC2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663545561 440095621 /nfs/dbraw/zinc/09/56/21/440095621.db2.gz MRQSOEXHCDHLJB-KRWDZBQOSA-N 1 3 336.480 0.854 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000618299931 440095710 /nfs/dbraw/zinc/09/57/10/440095710.db2.gz GMEMBQYHQKRMIT-UHFFFAOYSA-N 1 3 326.485 0.585 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627312451 440115938 /nfs/dbraw/zinc/11/59/38/440115938.db2.gz YYJROHFSNVUUNO-CQSZACIVSA-N 1 3 342.484 0.095 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000627382643 440167670 /nfs/dbraw/zinc/16/76/70/440167670.db2.gz FKOFXPIDIOOBDO-UHFFFAOYSA-N 1 3 338.496 0.956 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643478750 440178557 /nfs/dbraw/zinc/17/85/57/440178557.db2.gz ASRFUOIIHFOCNK-MRXNPFEDSA-N 1 3 347.463 0.562 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000643478892 440180223 /nfs/dbraw/zinc/18/02/23/440180223.db2.gz MLERNKMBGSULBG-AWEZNQCLSA-N 1 3 345.447 0.316 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643504822 440188597 /nfs/dbraw/zinc/18/85/97/440188597.db2.gz UMKKFHZWXLAIMZ-YESZJQIVSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643504821 440188717 /nfs/dbraw/zinc/18/87/17/440188717.db2.gz UMKKFHZWXLAIMZ-ULQDDVLXSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C[NH2+]1 ZINC000627427865 440196898 /nfs/dbraw/zinc/19/68/98/440196898.db2.gz PGIQFXRUIBMFKI-RBSFLKMASA-N 1 3 336.480 0.766 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000643524347 440198659 /nfs/dbraw/zinc/19/86/59/440198659.db2.gz JRQGCNDBNOWKLZ-CQSZACIVSA-N 1 3 336.436 0.367 20 0 ECADHO CCN(C(=O)C(=O)N1CCC(C[NH+](C)C)CC1)[C@@H]1CCN(CC)C1 ZINC000658829513 440146532 /nfs/dbraw/zinc/14/65/32/440146532.db2.gz LGEORIBDSLAIBN-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000653391983 440151302 /nfs/dbraw/zinc/15/13/02/440151302.db2.gz PJFHJTMGIZKUKX-MRXNPFEDSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000653391983 440151305 /nfs/dbraw/zinc/15/13/05/440151305.db2.gz PJFHJTMGIZKUKX-MRXNPFEDSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H](CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1)[NH+](C)C ZINC000664051324 440222541 /nfs/dbraw/zinc/22/25/41/440222541.db2.gz MQLRRUDJHXFBFT-CQSZACIVSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C[NH2+]1 ZINC000627476118 440228428 /nfs/dbraw/zinc/22/84/28/440228428.db2.gz BCLZBXVFALQYDI-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C[NH+](C)C ZINC000659080453 440231901 /nfs/dbraw/zinc/23/19/01/440231901.db2.gz AUQDSJHZFXCZPV-CJNGLKHVSA-N 1 3 348.447 0.600 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000627440591 440206568 /nfs/dbraw/zinc/20/65/68/440206568.db2.gz OJQBUFTWWREEBA-JKSUJKDBSA-N 1 3 348.491 0.864 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000627445425 440207695 /nfs/dbraw/zinc/20/76/95/440207695.db2.gz MNALXPUUKRWYJU-GJZGRUSLSA-N 1 3 334.464 0.474 20 0 ECADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CN2CCCC[C@@H](N)C2=O)CC1 ZINC000648178547 440254204 /nfs/dbraw/zinc/25/42/04/440254204.db2.gz RYBVPNLWQKQUOB-ZBFHGGJFSA-N 1 3 336.480 0.563 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)ccc1CN(C)C ZINC000659101921 440250799 /nfs/dbraw/zinc/25/07/99/440250799.db2.gz YBMRBXVRKGPHRF-UHFFFAOYSA-N 1 3 330.432 0.945 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000664311220 440286158 /nfs/dbraw/zinc/28/61/58/440286158.db2.gz OQMIEZBNZMVVOC-INIZCTEOSA-N 1 3 345.557 0.606 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)n1 ZINC000627741917 440302031 /nfs/dbraw/zinc/30/20/31/440302031.db2.gz AHUVXIAGJNKMDD-UHFFFAOYSA-N 1 3 349.479 0.772 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)n1 ZINC000627741917 440302033 /nfs/dbraw/zinc/30/20/33/440302033.db2.gz AHUVXIAGJNKMDD-UHFFFAOYSA-N 1 3 349.479 0.772 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664409345 440306566 /nfs/dbraw/zinc/30/65/66/440306566.db2.gz UNNPFSOOZLKWTO-HIFRSBDPSA-N 1 3 339.484 0.131 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664409345 440306569 /nfs/dbraw/zinc/30/65/69/440306569.db2.gz UNNPFSOOZLKWTO-HIFRSBDPSA-N 1 3 339.484 0.131 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659430763 440321103 /nfs/dbraw/zinc/32/11/03/440321103.db2.gz GKCDHHJXNMDLOJ-UHFFFAOYSA-N 1 3 336.440 0.561 20 0 ECADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659556607 440363899 /nfs/dbraw/zinc/36/38/99/440363899.db2.gz ZMOSDWOAWAXQAW-JYJNAYRXSA-N 1 3 336.411 0.559 20 0 ECADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659580190 440368852 /nfs/dbraw/zinc/36/88/52/440368852.db2.gz YLOLOBGKAZAOKO-NUJGCVRESA-N 1 3 332.448 0.498 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659458984 440332041 /nfs/dbraw/zinc/33/20/41/440332041.db2.gz BFNBZMJKUXYKJO-HZPDHXFCSA-N 1 3 327.517 0.933 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000659629199 440383102 /nfs/dbraw/zinc/38/31/02/440383102.db2.gz QQNOTIVIRKTVTC-OLZOCXBDSA-N 1 3 348.451 0.562 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1C ZINC000659632334 440387416 /nfs/dbraw/zinc/38/74/16/440387416.db2.gz VSZORUCHLNPEPH-YPMHNXCESA-N 1 3 336.440 0.655 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1C ZINC000659632334 440387423 /nfs/dbraw/zinc/38/74/23/440387423.db2.gz VSZORUCHLNPEPH-YPMHNXCESA-N 1 3 336.440 0.655 20 0 ECADHO Cc1nnsc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664950973 440395327 /nfs/dbraw/zinc/39/53/27/440395327.db2.gz RCCMNBHDCKBBDN-NSHDSACASA-N 1 3 328.486 0.918 20 0 ECADHO Cc1nnsc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664950973 440395331 /nfs/dbraw/zinc/39/53/31/440395331.db2.gz RCCMNBHDCKBBDN-NSHDSACASA-N 1 3 328.486 0.918 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000659671557 440408395 /nfs/dbraw/zinc/40/83/95/440408395.db2.gz GVDRDDGWEOWHCP-DNVCBOLYSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)CCO1 ZINC000649274673 440428705 /nfs/dbraw/zinc/42/87/05/440428705.db2.gz UKBSEIDYZKGZNG-GJZGRUSLSA-N 1 3 325.453 0.596 20 0 ECADHO COc1cccc([C@@H](N)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000638137583 440461254 /nfs/dbraw/zinc/46/12/54/440461254.db2.gz LWINQQNIJWQKLD-RHSMWYFYSA-N 1 3 334.464 0.695 20 0 ECADHO CCN1CCN(CCNC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638137890 440461314 /nfs/dbraw/zinc/46/13/14/440461314.db2.gz PZXGXJKMVVVSDE-UHFFFAOYSA-N 1 3 330.476 0.629 20 0 ECADHO C[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000638141752 440463178 /nfs/dbraw/zinc/46/31/78/440463178.db2.gz WBOSLHQCLGDKKC-WMZOPIPTSA-N 1 3 347.507 0.198 20 0 ECADHO C[C@@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000638141752 440463185 /nfs/dbraw/zinc/46/31/85/440463185.db2.gz WBOSLHQCLGDKKC-WMZOPIPTSA-N 1 3 347.507 0.198 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)c1 ZINC000644195347 440467812 /nfs/dbraw/zinc/46/78/12/440467812.db2.gz DXZOWWHHKIYBKI-UHFFFAOYSA-N 1 3 344.419 0.789 20 0 ECADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659738046 440475382 /nfs/dbraw/zinc/47/53/82/440475382.db2.gz YJWNKUPOUINVKO-KBXCAEBGSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000659741124 440477619 /nfs/dbraw/zinc/47/76/19/440477619.db2.gz LTXAYESEZJVRMY-OAHLLOKOSA-N 1 3 338.496 0.810 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000649279137 440429220 /nfs/dbraw/zinc/42/92/20/440429220.db2.gz YPOZXZBYJBXXOA-UONOGXRCSA-N 1 3 333.436 0.423 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000649279135 440430162 /nfs/dbraw/zinc/43/01/62/440430162.db2.gz YPOZXZBYJBXXOA-KBPBESRZSA-N 1 3 333.436 0.423 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638083657 440430816 /nfs/dbraw/zinc/43/08/16/440430816.db2.gz HIHYAIVYIMBUAS-SFHVURJKSA-N 1 3 335.448 0.999 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000633085173 440435411 /nfs/dbraw/zinc/43/54/11/440435411.db2.gz UTJHCKCXUIUHDS-BZUAXINKSA-N 1 3 336.480 0.517 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2(N3CCCC3)CCOCC2)C1 ZINC000638103224 440437482 /nfs/dbraw/zinc/43/74/82/440437482.db2.gz ZEXPMTUWTUNJOZ-HOCLYGCPSA-N 1 3 325.453 0.515 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633089250 440438377 /nfs/dbraw/zinc/43/83/77/440438377.db2.gz WVUZMWQKPFUNLN-IRXDYDNUSA-N 1 3 344.459 0.669 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000659707734 440440789 /nfs/dbraw/zinc/44/07/89/440440789.db2.gz KKSQDPKZICNODP-YOEHRIQHSA-N 1 3 346.475 0.737 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CCC2C[NH2+]C2)cc1 ZINC000638106629 440442612 /nfs/dbraw/zinc/44/26/12/440442612.db2.gz CHSHBZYNXVASTO-UHFFFAOYSA-N 1 3 332.448 0.594 20 0 ECADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2(N3CCCCC3)CCOCC2)C1 ZINC000638118529 440447211 /nfs/dbraw/zinc/44/72/11/440447211.db2.gz ZYVGADDXSRKGQT-NVXWUHKLSA-N 1 3 339.480 0.905 20 0 ECADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000649310830 440453907 /nfs/dbraw/zinc/45/39/07/440453907.db2.gz FUCGLJGUDAGNDU-XJNFMUPTSA-N 1 3 339.480 0.711 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000659758193 440492947 /nfs/dbraw/zinc/49/29/47/440492947.db2.gz YVCCXOPNHNUGLL-RDJZCZTQSA-N 1 3 346.475 0.486 20 0 ECADHO COC[C@]1(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCCCN1 ZINC000638338687 440515782 /nfs/dbraw/zinc/51/57/82/440515782.db2.gz DIAWGWUXWWHSQT-NUJGCVRESA-N 1 3 339.480 0.890 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC([C@@H]2CCOC2)C1 ZINC000665763089 440525061 /nfs/dbraw/zinc/52/50/61/440525061.db2.gz YIFYXGHDRXLKHS-LSDHHAIUSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC([C@@H]2CCOC2)C1 ZINC000665763089 440525065 /nfs/dbraw/zinc/52/50/65/440525065.db2.gz YIFYXGHDRXLKHS-LSDHHAIUSA-N 1 3 326.485 0.936 20 0 ECADHO Cc1nc([C@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n[nH]1 ZINC000665762431 440525789 /nfs/dbraw/zinc/52/57/89/440525789.db2.gz DGNXXSVGGHFIJH-RYUDHWBXSA-N 1 3 325.461 0.745 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@H]2CCCN2C)CC1=O ZINC000628647814 440526365 /nfs/dbraw/zinc/52/63/65/440526365.db2.gz AVGYVIHBTDVHAN-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@H]2CCCN2C)CC1=O ZINC000628647814 440526371 /nfs/dbraw/zinc/52/63/71/440526371.db2.gz AVGYVIHBTDVHAN-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)[C@@H]1CCCOC1 ZINC000665764202 440530086 /nfs/dbraw/zinc/53/00/86/440530086.db2.gz YDGOPIJNVNOTEB-ARFHVFGLSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)[C@@H]1CCCOC1 ZINC000665764202 440530094 /nfs/dbraw/zinc/53/00/94/440530094.db2.gz YDGOPIJNVNOTEB-ARFHVFGLSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000665763987 440530750 /nfs/dbraw/zinc/53/07/50/440530750.db2.gz QRDBDMOFLHZXRH-RRFJBIMHSA-N 1 3 326.485 0.861 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000665763987 440530756 /nfs/dbraw/zinc/53/07/56/440530756.db2.gz QRDBDMOFLHZXRH-RRFJBIMHSA-N 1 3 326.485 0.861 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCc4[nH]cnc4C3)C2)CC1 ZINC000633865439 440558155 /nfs/dbraw/zinc/55/81/55/440558155.db2.gz NDNQHULIFAKANL-ZIAGYGMSSA-N 1 3 346.479 0.735 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCc4[nH]cnc4C3)C2)CC1 ZINC000633865439 440558156 /nfs/dbraw/zinc/55/81/56/440558156.db2.gz NDNQHULIFAKANL-ZIAGYGMSSA-N 1 3 346.479 0.735 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000638527605 440562918 /nfs/dbraw/zinc/56/29/18/440562918.db2.gz VLWMVVHAEAQOFE-LSDHHAIUSA-N 1 3 334.420 0.280 20 0 ECADHO COC1(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)CC[NH2+]CC1 ZINC000638526230 440563029 /nfs/dbraw/zinc/56/30/29/440563029.db2.gz INEZXGMZHFFRLP-UHFFFAOYSA-N 1 3 348.447 0.685 20 0 ECADHO CO[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)[C@@H]1CCOC1 ZINC000660057028 440586988 /nfs/dbraw/zinc/58/69/88/440586988.db2.gz SLNMQBBJXKSYRB-CVEARBPZSA-N 1 3 327.469 0.428 20 0 ECADHO CCCN1CC[C@@H](NC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638428036 440538072 /nfs/dbraw/zinc/53/80/72/440538072.db2.gz YKMFQOIJFSNDMT-GHMZBOCLSA-N 1 3 342.394 0.964 20 0 ECADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)C2)CC1 ZINC000655712598 440620890 /nfs/dbraw/zinc/62/08/90/440620890.db2.gz RSCGWKULPZROET-MJGOQNOKSA-N 1 3 336.524 0.998 20 0 ECADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)CC1 ZINC000655712597 440621941 /nfs/dbraw/zinc/62/19/41/440621941.db2.gz RSCGWKULPZROET-IEBWSBKVSA-N 1 3 336.524 0.998 20 0 ECADHO O=C([C@@H]1CNCCC1(F)F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784285 440624139 /nfs/dbraw/zinc/62/41/39/440624139.db2.gz SGXMMVZENNFFHF-KBPBESRZSA-N 1 3 331.407 0.848 20 0 ECADHO O=C([C@H]1CNCCC1(F)F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784287 440624737 /nfs/dbraw/zinc/62/47/37/440624737.db2.gz SGXMMVZENNFFHF-UONOGXRCSA-N 1 3 331.407 0.848 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCOc3ccc(C[NH3+])cc32)CC1=O ZINC000638805553 440627964 /nfs/dbraw/zinc/62/79/64/440627964.db2.gz KCSCZRBHBSHGON-CQSZACIVSA-N 1 3 346.431 0.281 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCOc3ccc(C[NH3+])cc32)cn1 ZINC000638807599 440628460 /nfs/dbraw/zinc/62/84/60/440628460.db2.gz MWHWMGXMISIPSR-UHFFFAOYSA-N 1 3 329.404 0.943 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000634271042 440629532 /nfs/dbraw/zinc/62/95/32/440629532.db2.gz QSPIBVRTJBDNJB-OAHLLOKOSA-N 1 3 325.501 0.844 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000655551659 440587426 /nfs/dbraw/zinc/58/74/26/440587426.db2.gz ACURWHDPOQUZLE-HOTGVXAUSA-N 1 3 337.512 0.891 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000655551659 440587433 /nfs/dbraw/zinc/58/74/33/440587433.db2.gz ACURWHDPOQUZLE-HOTGVXAUSA-N 1 3 337.512 0.891 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000655551659 440587439 /nfs/dbraw/zinc/58/74/39/440587439.db2.gz ACURWHDPOQUZLE-HOTGVXAUSA-N 1 3 337.512 0.891 20 0 ECADHO C[NH+]1CCC(n2cc(NC(=O)CN3CCCC[C@@H](N)C3=O)cn2)CC1 ZINC000638976853 440656862 /nfs/dbraw/zinc/65/68/62/440656862.db2.gz FIHUOPQJWBIKNM-OAHLLOKOSA-N 1 3 348.451 0.428 20 0 ECADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)cc1 ZINC000655958793 440660375 /nfs/dbraw/zinc/66/03/75/440660375.db2.gz PARKARCICMJLFZ-LBPRGKRZSA-N 1 3 346.353 0.735 20 0 ECADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000666770695 440687748 /nfs/dbraw/zinc/68/77/48/440687748.db2.gz RJAVVGWQTIVHQC-INIZCTEOSA-N 1 3 330.432 0.945 20 0 ECADHO C[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CN1CCN(C)CC1 ZINC000655920995 440642701 /nfs/dbraw/zinc/64/27/01/440642701.db2.gz VJJCHFKDOSVYTR-MNOVXSKESA-N 1 3 325.379 0.059 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000656017657 440692721 /nfs/dbraw/zinc/69/27/21/440692721.db2.gz BQROGQLYJBYMBO-LSDHHAIUSA-N 1 3 336.480 0.897 20 0 ECADHO O=C(NCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccn[nH]1 ZINC000634711404 440695368 /nfs/dbraw/zinc/69/53/68/440695368.db2.gz NYJJIXLJQHPOMJ-SFHVURJKSA-N 1 3 343.431 0.366 20 0 ECADHO O=C(NCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccn[nH]1 ZINC000634711404 440695375 /nfs/dbraw/zinc/69/53/75/440695375.db2.gz NYJJIXLJQHPOMJ-SFHVURJKSA-N 1 3 343.431 0.366 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CN(C)C[C@H]32)CC1=O ZINC000644824774 440696888 /nfs/dbraw/zinc/69/68/88/440696888.db2.gz ZQQLAGWYVUBEAA-QBPKDAKJSA-N 1 3 348.491 0.482 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CN(C)C[C@H]32)CC1=O ZINC000644824774 440696896 /nfs/dbraw/zinc/69/68/96/440696896.db2.gz ZQQLAGWYVUBEAA-QBPKDAKJSA-N 1 3 348.491 0.482 20 0 ECADHO O[C@H](CNC[C@]1(O)CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634718442 440698477 /nfs/dbraw/zinc/69/84/77/440698477.db2.gz BZOZLGJKUOOZGD-RTBURBONSA-N 1 3 333.476 0.670 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[C@@H]1[NH3+] ZINC000656028708 440701089 /nfs/dbraw/zinc/70/10/89/440701089.db2.gz PEZIKTPIWVAKLV-QXSJWSMHSA-N 1 3 336.480 0.705 20 0 ECADHO CCS(=O)(=O)N1CCC(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629573578 440734661 /nfs/dbraw/zinc/73/46/61/440734661.db2.gz JNFDVZDJRMQAOU-OAHLLOKOSA-N 1 3 333.498 0.094 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656285719 440750963 /nfs/dbraw/zinc/75/09/63/440750963.db2.gz GCNXFUWPHPUNRJ-HZPDHXFCSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656325528 440770554 /nfs/dbraw/zinc/77/05/54/440770554.db2.gz UNAQYGJFKDLESV-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656325528 440770555 /nfs/dbraw/zinc/77/05/55/440770555.db2.gz UNAQYGJFKDLESV-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656325529 440771220 /nfs/dbraw/zinc/77/12/20/440771220.db2.gz UNAQYGJFKDLESV-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656325529 440771226 /nfs/dbraw/zinc/77/12/26/440771226.db2.gz UNAQYGJFKDLESV-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759723 440786699 /nfs/dbraw/zinc/78/66/99/440786699.db2.gz HQPKILVZRIQQDS-CQSZACIVSA-N 1 3 336.480 0.517 20 0 ECADHO O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H]1C[NH2+]CCO1 ZINC000656612208 440826098 /nfs/dbraw/zinc/82/60/98/440826098.db2.gz RXVAPPQZVMFFPD-QAPCUYQASA-N 1 3 344.415 0.171 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)C1 ZINC000646003138 440968069 /nfs/dbraw/zinc/96/80/69/440968069.db2.gz UEOZHXRGCNKRIN-OKZBNKHCSA-N 1 3 334.508 0.861 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000635779292 440980439 /nfs/dbraw/zinc/98/04/39/440980439.db2.gz JJWJSRWHLSPNOQ-HOTGVXAUSA-N 1 3 327.469 0.524 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000635779292 440980444 /nfs/dbraw/zinc/98/04/44/440980444.db2.gz JJWJSRWHLSPNOQ-HOTGVXAUSA-N 1 3 327.469 0.524 20 0 ECADHO CN(C[C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1)S(C)(=O)=O ZINC000662283149 441000503 /nfs/dbraw/zinc/00/05/03/441000503.db2.gz RIVPGPDNWIALFQ-KBPBESRZSA-N 1 3 331.482 0.111 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662277450 441002710 /nfs/dbraw/zinc/00/27/10/441002710.db2.gz QUEPFRWYUQRIQK-KRWDZBQOSA-N 1 3 340.512 0.535 20 0 ECADHO O=S(=O)(CCC[NH2+]C1(CO)CCNCC1)c1ccc(F)cc1 ZINC000662287046 441005091 /nfs/dbraw/zinc/00/50/91/441005091.db2.gz QUIAGDONVMCPPI-UHFFFAOYSA-N 1 3 330.425 0.694 20 0 ECADHO CN(C)[C@@H](CNC(=O)CNC1(CO)CC[NH2+]CC1)c1ccccc1 ZINC000662285999 441005784 /nfs/dbraw/zinc/00/57/84/441005784.db2.gz FMPVYXJYSMAGSD-INIZCTEOSA-N 1 3 334.464 0.110 20 0 ECADHO COCCNCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652212061 441032349 /nfs/dbraw/zinc/03/23/49/441032349.db2.gz UXGAHZLIZUKGKC-KKUMJFAQSA-N 1 3 328.457 0.150 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCCN(CCCO)C2)c(F)c1 ZINC000652270140 441043347 /nfs/dbraw/zinc/04/33/47/441043347.db2.gz WSIXGRFLBUKIMI-OAHLLOKOSA-N 1 3 338.427 0.930 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3F)C[C@H]2N)cn1 ZINC000652268869 441044157 /nfs/dbraw/zinc/04/41/57/441044157.db2.gz OMXJFKIWEDTHQE-GOEBONIOSA-N 1 3 346.410 0.654 20 0 ECADHO C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)n1cc(CC[NH3+])nn1 ZINC000641005677 441044143 /nfs/dbraw/zinc/04/41/43/441044143.db2.gz VCMIHGBBWBSQSL-GOEBONIOSA-N 1 3 342.447 0.731 20 0 ECADHO C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)n1cc(CC[NH3+])nn1 ZINC000641005679 441044424 /nfs/dbraw/zinc/04/44/24/441044424.db2.gz VCMIHGBBWBSQSL-HOCLYGCPSA-N 1 3 342.447 0.731 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641026269 441047278 /nfs/dbraw/zinc/04/72/78/441047278.db2.gz OZAUKWNNAPQKGE-LSDHHAIUSA-N 1 3 337.468 0.077 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3CC(C[NH+](C)C)C3)ccc2[nH]c1=O ZINC000635975441 441053602 /nfs/dbraw/zinc/05/36/02/441053602.db2.gz KXFAAIGQHAQIIE-UHFFFAOYSA-N 1 3 345.447 0.937 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C[C@H](C)O1 ZINC000652345787 441057863 /nfs/dbraw/zinc/05/78/63/441057863.db2.gz LXLYCXTWBLHPRS-NNXHMXCWSA-N 1 3 339.480 0.841 20 0 ECADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345587 441057978 /nfs/dbraw/zinc/05/79/78/441057978.db2.gz GFIJREKJYMIDFG-XAJHFOFHSA-N 1 3 339.480 0.888 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641215252 441077546 /nfs/dbraw/zinc/07/75/46/441077546.db2.gz QFQBVEBARRSUCW-GOSISDBHSA-N 1 3 344.463 0.176 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332304495 320896738 /nfs/dbraw/zinc/89/67/38/320896738.db2.gz ILDJZWAMMIHSLP-JYJNAYRXSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H](CNC(=O)CN(C)[C@H]1CCSC1)C[NH+]1CCN(C)CC1 ZINC000339979895 321007828 /nfs/dbraw/zinc/00/78/28/321007828.db2.gz HUZVXVXMEVOXOE-CABCVRRESA-N 1 3 328.526 0.423 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000340203409 321021221 /nfs/dbraw/zinc/02/12/21/321021221.db2.gz UMILPOREUCTHGV-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000340219099 321024475 /nfs/dbraw/zinc/02/44/75/321024475.db2.gz GYCWKAGGOFIGIY-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000340219099 321024477 /nfs/dbraw/zinc/02/44/77/321024477.db2.gz GYCWKAGGOFIGIY-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000340251189 321029062 /nfs/dbraw/zinc/02/90/62/321029062.db2.gz BUFZMXDJQIFEIK-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000340251189 321029064 /nfs/dbraw/zinc/02/90/64/321029064.db2.gz BUFZMXDJQIFEIK-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1)C(C)C ZINC000340253180 321029888 /nfs/dbraw/zinc/02/98/88/321029888.db2.gz HWTNQEJVIKTEJN-OAHLLOKOSA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1)C(C)C ZINC000340253180 321029890 /nfs/dbraw/zinc/02/98/90/321029890.db2.gz HWTNQEJVIKTEJN-OAHLLOKOSA-N 1 3 326.485 0.824 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340258906 321031178 /nfs/dbraw/zinc/03/11/78/321031178.db2.gz IJXGXDLIJVTNOO-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCSC1 ZINC000340417979 321042632 /nfs/dbraw/zinc/04/26/32/321042632.db2.gz GAVUNWNXCLACGN-CZUORRHYSA-N 1 3 342.509 0.093 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000342045749 321073584 /nfs/dbraw/zinc/07/35/84/321073584.db2.gz USDBVMQJXUOFHF-OFQRWUPVSA-N 1 3 336.480 0.718 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000342045749 321073586 /nfs/dbraw/zinc/07/35/86/321073586.db2.gz USDBVMQJXUOFHF-OFQRWUPVSA-N 1 3 336.480 0.718 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000342045747 321073805 /nfs/dbraw/zinc/07/38/05/321073805.db2.gz USDBVMQJXUOFHF-IIAWOOMASA-N 1 3 336.480 0.718 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000342045747 321073806 /nfs/dbraw/zinc/07/38/06/321073806.db2.gz USDBVMQJXUOFHF-IIAWOOMASA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000344444678 321151872 /nfs/dbraw/zinc/15/18/72/321151872.db2.gz VXPSTQGCFLUKER-UHFFFAOYSA-N 1 3 341.500 0.569 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000344444678 321151873 /nfs/dbraw/zinc/15/18/73/321151873.db2.gz VXPSTQGCFLUKER-UHFFFAOYSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000347977816 321262113 /nfs/dbraw/zinc/26/21/13/321262113.db2.gz PBQFSZMNUWTQEI-QXSJWSMHSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000347977816 321262115 /nfs/dbraw/zinc/26/21/15/321262115.db2.gz PBQFSZMNUWTQEI-QXSJWSMHSA-N 1 3 338.496 0.822 20 0 ECADHO CN1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@H]2CCC[C@H]21 ZINC000353526994 321398135 /nfs/dbraw/zinc/39/81/35/321398135.db2.gz CACXAVROTAWTFJ-CEXWTWQISA-N 1 3 338.540 0.839 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000354114710 321444191 /nfs/dbraw/zinc/44/41/91/321444191.db2.gz LDNMVPRXOFEAHG-GFCCVEGCSA-N 1 3 345.513 0.680 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000531811328 322045594 /nfs/dbraw/zinc/04/55/94/322045594.db2.gz KKOUMGGPLZISSO-OIISXLGYSA-N 1 3 338.496 0.861 20 0 ECADHO CN1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000547440273 322127625 /nfs/dbraw/zinc/12/76/25/322127625.db2.gz COEQUYWFIPTEFE-HNNXBMFYSA-N 1 3 337.468 0.075 20 0 ECADHO C[NH+](C)CCCCC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000554231361 322169096 /nfs/dbraw/zinc/16/90/96/322169096.db2.gz YLJKZRUSYJXPOW-UHFFFAOYSA-N 1 3 326.485 0.827 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000559781668 322225180 /nfs/dbraw/zinc/22/51/80/322225180.db2.gz PFNCVTIMTDLTBM-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3C[NH2+]CCO3)c2)CC1 ZINC000561009262 322252174 /nfs/dbraw/zinc/25/21/74/322252174.db2.gz KXYWQPULTBLYOW-QGZVFWFLSA-N 1 3 347.463 0.938 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000561199091 322255950 /nfs/dbraw/zinc/25/59/50/322255950.db2.gz MCIWLOAULBWUNT-JKSUJKDBSA-N 1 3 337.512 0.796 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)N2CCNCC2)[C@H](C)C1 ZINC000562956213 322289586 /nfs/dbraw/zinc/28/95/86/322289586.db2.gz OLQBJHYPJHNYBG-HZPDHXFCSA-N 1 3 326.485 0.145 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCC(=O)N2CCNCC2)[C@H](C)C1 ZINC000562956213 322289588 /nfs/dbraw/zinc/28/95/88/322289588.db2.gz OLQBJHYPJHNYBG-HZPDHXFCSA-N 1 3 326.485 0.145 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563620356 322334022 /nfs/dbraw/zinc/33/40/22/322334022.db2.gz IXYXJXCCAZANLL-QLFBSQMISA-N 1 3 338.496 0.585 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000563692675 322338999 /nfs/dbraw/zinc/33/89/99/322338999.db2.gz QJWDWCXQUXKMDA-JKSUJKDBSA-N 1 3 325.501 0.925 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000563692675 322339002 /nfs/dbraw/zinc/33/90/02/322339002.db2.gz QJWDWCXQUXKMDA-JKSUJKDBSA-N 1 3 325.501 0.925 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000564347159 322371614 /nfs/dbraw/zinc/37/16/14/322371614.db2.gz GUGHQIAJJAODRF-CBBWQLFWSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000564347159 322371617 /nfs/dbraw/zinc/37/16/17/322371617.db2.gz GUGHQIAJJAODRF-CBBWQLFWSA-N 1 3 337.468 0.060 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C[C@H]2N)cn1 ZINC000564841798 322398155 /nfs/dbraw/zinc/39/81/55/322398155.db2.gz LXTRPYCKAWDSDV-ZNMIVQPWSA-N 1 3 334.468 0.634 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)nn1 ZINC000565529869 322461164 /nfs/dbraw/zinc/46/11/64/322461164.db2.gz ZNSRRFREBVLBPM-HOTGVXAUSA-N 1 3 349.483 0.991 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)N1CCCC1 ZINC000571027241 322707698 /nfs/dbraw/zinc/70/76/98/322707698.db2.gz BGLDERAGYKHJLU-ZDUSSCGKSA-N 1 3 330.432 0.871 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000575878948 322797589 /nfs/dbraw/zinc/79/75/89/322797589.db2.gz DUJMQZPQYQUECY-UHFFFAOYSA-N 1 3 337.468 0.675 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000576036550 322800547 /nfs/dbraw/zinc/80/05/47/322800547.db2.gz WUHQDBMWBRSQSS-HZPDHXFCSA-N 1 3 338.496 0.907 20 0 ECADHO O=C(C[C@@H]1CNCCO1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000579956952 322911697 /nfs/dbraw/zinc/91/16/97/322911697.db2.gz XZUNDISOFIOTAQ-OAHLLOKOSA-N 1 3 348.447 0.288 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000344744248 546104357 /nfs/dbraw/zinc/10/43/57/546104357.db2.gz BWSZXNACVDNJSY-BBWFWOEESA-N 1 3 339.480 0.570 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)nn1 ZINC000390761373 546193435 /nfs/dbraw/zinc/19/34/35/546193435.db2.gz BJMGFJGHEFWLHN-HNNXBMFYSA-N 1 3 328.420 0.631 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415655036 546207336 /nfs/dbraw/zinc/20/73/36/546207336.db2.gz SLPQFMIHICXFIG-UKRRQHHQSA-N 1 3 348.447 0.952 20 0 ECADHO CN(CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(=O)C1CC1 ZINC000622906785 546708756 /nfs/dbraw/zinc/70/87/56/546708756.db2.gz AOJIKUUKPVCUDY-UHFFFAOYSA-N 1 3 336.480 0.530 20 0 ECADHO Nc1nc(N)nc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000624084926 546876410 /nfs/dbraw/zinc/87/64/10/546876410.db2.gz XZNMNUOIJIEUTK-UHFFFAOYSA-N 1 3 343.435 0.248 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656297868 547439533 /nfs/dbraw/zinc/43/95/33/547439533.db2.gz JTBJCSKEXPCZPV-XIRDDKMYSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656297868 547439538 /nfs/dbraw/zinc/43/95/38/547439538.db2.gz JTBJCSKEXPCZPV-XIRDDKMYSA-N 1 3 348.491 0.720 20 0 ECADHO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N[C@H](CN)C2CC2)cc1 ZINC000667362280 547505585 /nfs/dbraw/zinc/50/55/85/547505585.db2.gz XPFUYFHNNMOBBM-MRXNPFEDSA-N 1 3 348.447 0.809 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1CN(C)C ZINC000667402344 547515594 /nfs/dbraw/zinc/51/55/94/547515594.db2.gz BTJANXPHQXIHIU-XJKSGUPXSA-N 1 3 348.447 0.570 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668329225 547619208 /nfs/dbraw/zinc/61/92/08/547619208.db2.gz PSXFKEURGLUNLZ-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668328741 547619793 /nfs/dbraw/zinc/61/97/93/547619793.db2.gz DPNRCOCYLLKZIJ-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668558876 547686802 /nfs/dbraw/zinc/68/68/02/547686802.db2.gz WKDIQVHFEZKFFZ-CQSZACIVSA-N 1 3 342.484 0.060 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668558876 547686804 /nfs/dbraw/zinc/68/68/04/547686804.db2.gz WKDIQVHFEZKFFZ-CQSZACIVSA-N 1 3 342.484 0.060 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669452027 547890760 /nfs/dbraw/zinc/89/07/60/547890760.db2.gz XNHRDJPODWUXLS-CVEARBPZSA-N 1 3 326.485 0.986 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669567988 547907088 /nfs/dbraw/zinc/90/70/88/547907088.db2.gz NTFDLJJCDOBJBF-HZPDHXFCSA-N 1 3 326.485 0.986 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000670535660 548028478 /nfs/dbraw/zinc/02/84/78/548028478.db2.gz JKTWSTMRGXTMGC-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671122234 548094505 /nfs/dbraw/zinc/09/45/05/548094505.db2.gz AVXBSURMCZTFRR-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671122234 548094510 /nfs/dbraw/zinc/09/45/10/548094510.db2.gz AVXBSURMCZTFRR-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000671170018 548103847 /nfs/dbraw/zinc/10/38/47/548103847.db2.gz CYQNOXILTFLWGK-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671183132 548108149 /nfs/dbraw/zinc/10/81/49/548108149.db2.gz MOAAFCRAOFFXJR-KLHDSHLOSA-N 1 3 334.464 0.425 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671183132 548108153 /nfs/dbraw/zinc/10/81/53/548108153.db2.gz MOAAFCRAOFFXJR-KLHDSHLOSA-N 1 3 334.464 0.425 20 0 ECADHO COCCN(CCOC)C1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000671730264 548224253 /nfs/dbraw/zinc/22/42/53/548224253.db2.gz OFXCWIYGFFXDMW-UHFFFAOYSA-N 1 3 337.464 0.945 20 0 ECADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672305638 548302368 /nfs/dbraw/zinc/30/23/68/548302368.db2.gz WZNXCEYOSUDBTR-MRXNPFEDSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000672330323 548312343 /nfs/dbraw/zinc/31/23/43/548312343.db2.gz ZDHXPWMJLGVMEE-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000672330323 548312347 /nfs/dbraw/zinc/31/23/47/548312347.db2.gz ZDHXPWMJLGVMEE-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000673123301 548448744 /nfs/dbraw/zinc/44/87/44/548448744.db2.gz FOKRBMVXRGAGHC-WTXIUTQJSA-N 1 3 336.480 0.671 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000673123301 548448747 /nfs/dbraw/zinc/44/87/47/548448747.db2.gz FOKRBMVXRGAGHC-WTXIUTQJSA-N 1 3 336.480 0.671 20 0 ECADHO Cc1ccncc1[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673191042 548460494 /nfs/dbraw/zinc/46/04/94/548460494.db2.gz CTEHYTWLGIFZMM-OAHLLOKOSA-N 1 3 349.479 0.519 20 0 ECADHO CON(C)C(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000799165722 578660226 /nfs/dbraw/zinc/66/02/26/578660226.db2.gz LQENIMXUFHKGBU-UHFFFAOYSA-N 1 3 326.485 0.746 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000793705552 578936289 /nfs/dbraw/zinc/93/62/89/578936289.db2.gz FFXHLKOWADVLKV-IIAWOOMASA-N 1 3 336.480 0.576 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793715091 578937155 /nfs/dbraw/zinc/93/71/55/578937155.db2.gz WMZDZZMHZJGQDV-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CO[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C(F)(F)F ZINC000741088539 579765643 /nfs/dbraw/zinc/76/56/43/579765643.db2.gz XRKWGPQCTFZGFA-LLVKDONJSA-N 1 3 328.379 0.699 20 0 ECADHO COC(=O)N1CCC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000741086261 579765652 /nfs/dbraw/zinc/76/56/52/579765652.db2.gz YIUXEFRZRKROJU-AWEZNQCLSA-N 1 3 343.472 0.352 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CSC(=O)N1 ZINC000746194052 579832570 /nfs/dbraw/zinc/83/25/70/579832570.db2.gz XHDCAGXIZSAFTD-CHWSQXEVSA-N 1 3 328.482 0.686 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CSC(=O)N1 ZINC000746194052 579832571 /nfs/dbraw/zinc/83/25/71/579832571.db2.gz XHDCAGXIZSAFTD-CHWSQXEVSA-N 1 3 328.482 0.686 20 0 ECADHO [NH3+]CCOc1cccc(NC(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000841280693 588985766 /nfs/dbraw/zinc/98/57/66/588985766.db2.gz BDWIQOBPLILFEM-HNNXBMFYSA-N 1 3 336.436 0.992 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000841790741 589001239 /nfs/dbraw/zinc/00/12/39/589001239.db2.gz INSOEODOJBKDAP-SJORKVTESA-N 1 3 332.448 0.850 20 0 ECADHO O=C(C[C@@H]1CNCCO1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841847411 589002722 /nfs/dbraw/zinc/00/27/22/589002722.db2.gz XICVCBUSDSJTCP-JKSUJKDBSA-N 1 3 347.415 0.912 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842174766 589016842 /nfs/dbraw/zinc/01/68/42/589016842.db2.gz KCCVEQNQBWSTDG-OAHLLOKOSA-N 1 3 346.475 0.652 20 0 ECADHO CCN1CCN(CCCCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000891357172 586165065 /nfs/dbraw/zinc/16/50/65/586165065.db2.gz ZRQALMVKZSSXQC-DLBZAZTESA-N 1 3 337.512 0.940 20 0 ECADHO CCN1CCN(CCCCNC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000891356096 586165196 /nfs/dbraw/zinc/16/51/96/586165196.db2.gz FGZLKVQQOYXGKK-MRXNPFEDSA-N 1 3 325.501 0.927 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000891497239 586171435 /nfs/dbraw/zinc/17/14/35/586171435.db2.gz HKLGMBZOITUYAR-FZNQNYSPSA-N 1 3 347.463 0.515 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000891766708 586195317 /nfs/dbraw/zinc/19/53/17/586195317.db2.gz XKBVTLCESVZNAK-XYPHTWIQSA-N 1 3 332.448 0.884 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)[NH2+]C1 ZINC000892384177 586261522 /nfs/dbraw/zinc/26/15/22/586261522.db2.gz PRBLODQXAMQTMH-HUUCEWRRSA-N 1 3 326.485 0.911 20 0 ECADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@H]1Cc2ccccc2CN1 ZINC000892793587 586290756 /nfs/dbraw/zinc/29/07/56/586290756.db2.gz NVNGGPFHOVRDFL-MSOLQXFVSA-N 1 3 346.475 0.847 20 0 ECADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC[C@H]1Cc2ccccc2CN1 ZINC000892793587 586290759 /nfs/dbraw/zinc/29/07/59/586290759.db2.gz NVNGGPFHOVRDFL-MSOLQXFVSA-N 1 3 346.475 0.847 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC(C)(C)[NH3+])CC[C@@H]1N1CCN(C)CC1 ZINC000892854969 586296455 /nfs/dbraw/zinc/29/64/55/586296455.db2.gz VHEIBGRASABDNM-CABCVRRESA-N 1 3 325.501 0.781 20 0 ECADHO C[C@H]1CN(C(=O)NCCC(C)(C)[NH3+])CC[C@@H]1N1CCN(C)CC1 ZINC000892854971 586296644 /nfs/dbraw/zinc/29/66/44/586296644.db2.gz VHEIBGRASABDNM-GJZGRUSLSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000897550884 586342828 /nfs/dbraw/zinc/34/28/28/586342828.db2.gz XRXOOFDEAKXVQI-AWEZNQCLSA-N 1 3 345.447 0.329 20 0 ECADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000897557034 586343927 /nfs/dbraw/zinc/34/39/27/586343927.db2.gz DISXMKLVLFGDHI-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000897557034 586343929 /nfs/dbraw/zinc/34/39/29/586343929.db2.gz DISXMKLVLFGDHI-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000893867887 586364676 /nfs/dbraw/zinc/36/46/76/586364676.db2.gz TTYIGLYZFIZRPX-DLBZAZTESA-N 1 3 337.512 0.891 20 0 ECADHO O=C(NC[C@H]1CCCCN1CCO)C1C[NH+](C2CCOCC2)C1 ZINC000897878667 586378118 /nfs/dbraw/zinc/37/81/18/586378118.db2.gz ACJDPTXVXCFZBE-MRXNPFEDSA-N 1 3 325.453 0.060 20 0 ECADHO C[NH+](C)CCOc1cc(-c2noc(C[C@@H]3CNCCO3)n2)ccn1 ZINC000843191015 589053079 /nfs/dbraw/zinc/05/30/79/589053079.db2.gz AEMRGFRPLHJVOO-CYBMUJFWSA-N 1 3 333.392 0.603 20 0 ECADHO CN1CCN(c2cc[nH+]cc2NC(=O)C2CN([C@@H]3CCOC3)C2)CC1 ZINC000900338663 586625292 /nfs/dbraw/zinc/62/52/92/586625292.db2.gz CTSOIOPVRPAQNQ-OAHLLOKOSA-N 1 3 345.447 0.493 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000901229550 586702561 /nfs/dbraw/zinc/70/25/61/586702561.db2.gz UNTVEEKOQADTCJ-KRWDZBQOSA-N 1 3 327.469 0.138 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000901229550 586702562 /nfs/dbraw/zinc/70/25/62/586702562.db2.gz UNTVEEKOQADTCJ-KRWDZBQOSA-N 1 3 327.469 0.138 20 0 ECADHO CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCC([NH3+])CC1 ZINC000843354182 589063334 /nfs/dbraw/zinc/06/33/34/589063334.db2.gz WFRBDYSNKUEZQD-UHFFFAOYSA-N 1 3 340.449 0.474 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000903492243 586779464 /nfs/dbraw/zinc/77/94/64/586779464.db2.gz DZVZJOAEITUXQN-HNNXBMFYSA-N 1 3 345.513 0.713 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N(CC(C)C)C1CC1)C2 ZINC000903491844 586779578 /nfs/dbraw/zinc/77/95/78/586779578.db2.gz CYFJARWXOKLXRM-IYOUNJFTSA-N 1 3 337.464 0.846 20 0 ECADHO O=C(CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)N1CCOCC1 ZINC000903510880 586780907 /nfs/dbraw/zinc/78/09/07/586780907.db2.gz SOERGYWJFSNFDR-CALCHBBNSA-N 1 3 336.480 0.136 20 0 ECADHO O=C(CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)N1CCOCC1 ZINC000903510880 586780908 /nfs/dbraw/zinc/78/09/08/586780908.db2.gz SOERGYWJFSNFDR-CALCHBBNSA-N 1 3 336.480 0.136 20 0 ECADHO O=C(CCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CCOCC1 ZINC000903510880 586780910 /nfs/dbraw/zinc/78/09/10/586780910.db2.gz SOERGYWJFSNFDR-CALCHBBNSA-N 1 3 336.480 0.136 20 0 ECADHO CC(C)OCCOC[C@H](O)CN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726065 586802209 /nfs/dbraw/zinc/80/22/09/586802209.db2.gz JZZSSTBTXJGKMR-BRWVUGGUSA-N 1 3 330.469 0.489 20 0 ECADHO CS(=O)(=O)NCC[C@@H]1CCCCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725455 586802354 /nfs/dbraw/zinc/80/23/54/586802354.db2.gz ZVVBAKUYQGPWJH-JYJNAYRXSA-N 1 3 345.509 0.549 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[C@H]1N ZINC000903747351 586804530 /nfs/dbraw/zinc/80/45/30/586804530.db2.gz MOXIYRXULRXGEW-LSDHHAIUSA-N 1 3 336.480 0.659 20 0 ECADHO O=C1CNCCN1[C@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903744867 586807906 /nfs/dbraw/zinc/80/79/06/586807906.db2.gz YIGBDUPQOSPTEG-HOTGVXAUSA-N 1 3 336.480 0.041 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC000903790672 586813061 /nfs/dbraw/zinc/81/30/61/586813061.db2.gz UWANNSNUFYDPDG-CQSZACIVSA-N 1 3 338.496 0.763 20 0 ECADHO CN1CCN(C)CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000904514504 586839732 /nfs/dbraw/zinc/83/97/32/586839732.db2.gz PYSLDJUJZYEDBW-UHFFFAOYSA-N 1 3 347.463 0.880 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@@]32CN)C1 ZINC000904976773 586853185 /nfs/dbraw/zinc/85/31/85/586853185.db2.gz YXJKREUQFMLXHQ-RLFYNMQTSA-N 1 3 336.480 0.517 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@@]32CN)C1 ZINC000904976773 586853188 /nfs/dbraw/zinc/85/31/88/586853188.db2.gz YXJKREUQFMLXHQ-RLFYNMQTSA-N 1 3 336.480 0.517 20 0 ECADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32CN)C1 ZINC000905004934 586858237 /nfs/dbraw/zinc/85/82/37/586858237.db2.gz CKWOXCUSIUYSDK-TXPKVOOTSA-N 1 3 348.491 0.517 20 0 ECADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32CN)C1 ZINC000905004934 586858241 /nfs/dbraw/zinc/85/82/41/586858241.db2.gz CKWOXCUSIUYSDK-TXPKVOOTSA-N 1 3 348.491 0.517 20 0 ECADHO O=C(C(=O)N1CCC[C@]12CC[NH2+]C2)N1CC[C@@H](N2CCCCC2)C1 ZINC000905015187 586862282 /nfs/dbraw/zinc/86/22/82/586862282.db2.gz UVILANGHBSJPLV-CRAIPNDOSA-N 1 3 334.464 0.428 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@H](O)CCC2(O)CCC2)C1 ZINC000905081569 586866968 /nfs/dbraw/zinc/86/69/68/586866968.db2.gz IDSQYOKOCLAUDD-HUUCEWRRSA-N 1 3 327.469 0.220 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@H](O)CCC2(O)CCC2)C1 ZINC000905081569 586866971 /nfs/dbraw/zinc/86/69/71/586866971.db2.gz IDSQYOKOCLAUDD-HUUCEWRRSA-N 1 3 327.469 0.220 20 0 ECADHO CN1CCN(CC[NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1(C)C ZINC000905246430 586879468 /nfs/dbraw/zinc/87/94/68/586879468.db2.gz HSSSGXAGGPZEFM-INIZCTEOSA-N 1 3 327.513 0.906 20 0 ECADHO CN1CCC(C[NH2+]C[C@H](O)C2(O)CCCC2)(N2CCOCC2)CC1 ZINC000905286700 586883032 /nfs/dbraw/zinc/88/30/32/586883032.db2.gz QPYHFBLOZJHGLK-INIZCTEOSA-N 1 3 341.496 0.039 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000906720149 586971039 /nfs/dbraw/zinc/97/10/39/586971039.db2.gz QGGVOLRNFBMGEZ-NUEKZKHPSA-N 1 3 346.431 0.575 20 0 ECADHO CCN1CCN(CCCCNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844192418 589102034 /nfs/dbraw/zinc/10/20/34/589102034.db2.gz QFDOPFRDRUFMFX-INIZCTEOSA-N 1 3 326.485 0.289 20 0 ECADHO CCN1CC[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC000820588982 587543341 /nfs/dbraw/zinc/54/33/41/587543341.db2.gz YJKRUVJRXUCXRY-JKSUJKDBSA-N 1 3 325.453 0.419 20 0 ECADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000826823306 588085244 /nfs/dbraw/zinc/08/52/44/588085244.db2.gz ZVRBJBQHKCJCEU-HUUCEWRRSA-N 1 3 341.500 0.868 20 0 ECADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000826823306 588085246 /nfs/dbraw/zinc/08/52/46/588085246.db2.gz ZVRBJBQHKCJCEU-HUUCEWRRSA-N 1 3 341.500 0.868 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000828285521 588169846 /nfs/dbraw/zinc/16/98/46/588169846.db2.gz WAKAWJCGCBOBGX-RRFJBIMHSA-N 1 3 338.496 0.964 20 0 ECADHO CCC(C)(C(=O)N[C@@H]1CCN(C)[C@@H]1C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000830110989 588361126 /nfs/dbraw/zinc/36/11/26/588361126.db2.gz KVXDZMXFJYBDSB-KBUPBQIOSA-N 1 3 338.496 0.820 20 0 ECADHO CCC(C)(C(=O)N[C@@H]1CCN(C)[C@@H]1C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000830110989 588361128 /nfs/dbraw/zinc/36/11/28/588361128.db2.gz KVXDZMXFJYBDSB-KBUPBQIOSA-N 1 3 338.496 0.820 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831267854 588417789 /nfs/dbraw/zinc/41/77/89/588417789.db2.gz QJRMHJSDPGJZIB-HNNXBMFYSA-N 1 3 339.484 0.454 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)N[C@@H]3CNCCC3(F)F)C2)C1 ZINC000846178828 589190304 /nfs/dbraw/zinc/19/03/04/589190304.db2.gz XLCUWKODTILQEJ-YIYPIFLZSA-N 1 3 346.422 0.912 20 0 ECADHO CCOCCCNC(=[NH2+])NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000849073970 589319182 /nfs/dbraw/zinc/31/91/82/589319182.db2.gz SNOBFFYTYWLKHX-CQSZACIVSA-N 1 3 327.473 0.470 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000851670192 589411681 /nfs/dbraw/zinc/41/16/81/589411681.db2.gz GBBMVEGHMCKNKX-UHFFFAOYSA-N 1 3 335.452 0.256 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1 ZINC000851799834 589424604 /nfs/dbraw/zinc/42/46/04/589424604.db2.gz TXPZTVJYVPZUHF-HKUYNNGSSA-N 1 3 349.475 0.792 20 0 ECADHO NC[C@@H]1CC(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)=NO1 ZINC000852864119 589519464 /nfs/dbraw/zinc/51/94/64/589519464.db2.gz WYISXNRNNNDXAX-HOTGVXAUSA-N 1 3 330.432 0.771 20 0 ECADHO NC[C@@H]1CC(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)=NO1 ZINC000852864119 589519465 /nfs/dbraw/zinc/51/94/65/589519465.db2.gz WYISXNRNNNDXAX-HOTGVXAUSA-N 1 3 330.432 0.771 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000852906727 589524530 /nfs/dbraw/zinc/52/45/30/589524530.db2.gz POLLCDWVXBICNE-YCPHGPKFSA-N 1 3 332.404 0.361 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOC(=O)N1 ZINC000859039578 589794890 /nfs/dbraw/zinc/79/48/90/589794890.db2.gz HYJOEAJBEVQJIQ-KGLIPLIRSA-N 1 3 326.441 0.359 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOC(=O)N1 ZINC000859039578 589794892 /nfs/dbraw/zinc/79/48/92/589794892.db2.gz HYJOEAJBEVQJIQ-KGLIPLIRSA-N 1 3 326.441 0.359 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@H](CC[N@@H+]3C)C1)CC2 ZINC000867514778 589797022 /nfs/dbraw/zinc/79/70/22/589797022.db2.gz FHBOCJYLFARYTC-WCVJEAGWSA-N 1 3 334.464 0.234 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@H](CC[N@H+]3C)C1)CC2 ZINC000867514778 589797023 /nfs/dbraw/zinc/79/70/23/589797023.db2.gz FHBOCJYLFARYTC-WCVJEAGWSA-N 1 3 334.464 0.234 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867741480 589833121 /nfs/dbraw/zinc/83/31/21/589833121.db2.gz FSRZASXWQPHQNI-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867741480 589833124 /nfs/dbraw/zinc/83/31/24/589833124.db2.gz FSRZASXWQPHQNI-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000861728061 589882505 /nfs/dbraw/zinc/88/25/05/589882505.db2.gz CJFIZNFFIJFQOI-BEFAXECRSA-N 1 3 346.475 0.963 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000868303268 589890600 /nfs/dbraw/zinc/89/06/00/589890600.db2.gz ZCERSWAQTNVYLN-BETUJISGSA-N 1 3 334.420 0.549 20 0 ECADHO CC[NH+]1CCC(NC(=O)N2CCC(N3CCN(C)CC3)CC2)CC1 ZINC000868351738 589895465 /nfs/dbraw/zinc/89/54/65/589895465.db2.gz FFCNZLZWARWIIB-UHFFFAOYSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000868368416 589897016 /nfs/dbraw/zinc/89/70/16/589897016.db2.gz KELJQTMVQXPWGR-KDOFPFPSSA-N 1 3 338.496 0.763 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000868368292 589897402 /nfs/dbraw/zinc/89/74/02/589897402.db2.gz JDLPYHSDXSKSRC-HOTGVXAUSA-N 1 3 330.432 0.279 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868392184 589901101 /nfs/dbraw/zinc/90/11/01/589901101.db2.gz UQLBMMIIPAJCOI-KDOFPFPSSA-N 1 3 338.496 0.763 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870885785 590037719 /nfs/dbraw/zinc/03/77/19/590037719.db2.gz SNEVCKIZFWDKAF-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000872146315 590097818 /nfs/dbraw/zinc/09/78/18/590097818.db2.gz LCKMAJLWNOJOOO-IXDOHACOSA-N 1 3 338.496 0.023 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(CC)CC ZINC000872303239 590112451 /nfs/dbraw/zinc/11/24/51/590112451.db2.gz DWVQFYXFOBNWIQ-TUVASFSCSA-N 1 3 338.452 0.500 20 0 ECADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000864961980 590118617 /nfs/dbraw/zinc/11/86/17/590118617.db2.gz HNKNHULUKHNRBD-KGLIPLIRSA-N 1 3 342.484 0.899 20 0 ECADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000864961980 590118618 /nfs/dbraw/zinc/11/86/18/590118618.db2.gz HNKNHULUKHNRBD-KGLIPLIRSA-N 1 3 342.484 0.899 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000865621274 590152011 /nfs/dbraw/zinc/15/20/11/590152011.db2.gz ZNPMUZLUGWFLLQ-AWEZNQCLSA-N 1 3 342.484 0.994 20 0 ECADHO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242618 590187241 /nfs/dbraw/zinc/18/72/41/590187241.db2.gz CFJGEICABGKGQT-UKRRQHHQSA-N 1 3 330.436 0.583 20 0 ECADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250108 590187283 /nfs/dbraw/zinc/18/72/83/590187283.db2.gz PCTQQOAYUKPORZ-RCBQFDQVSA-N 1 3 346.431 0.580 20 0 ECADHO NCc1cn(-c2cccc(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)c2)nn1 ZINC000873243519 590187293 /nfs/dbraw/zinc/18/72/93/590187293.db2.gz MFZOEHRCJUHCDG-MSOLQXFVSA-N 1 3 342.447 0.583 20 0 ECADHO O=C1COC[C@]2(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)COCCN12 ZINC000873266782 590187506 /nfs/dbraw/zinc/18/75/06/590187506.db2.gz QKBPGMAPGAXGBX-CUSZFKRNSA-N 1 3 337.464 0.515 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875055571 590265723 /nfs/dbraw/zinc/26/57/23/590265723.db2.gz ALJJNWIKHROPDP-RDJZCZTQSA-N 1 3 337.512 0.748 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000875055571 590265725 /nfs/dbraw/zinc/26/57/25/590265725.db2.gz ALJJNWIKHROPDP-RDJZCZTQSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875061244 590266796 /nfs/dbraw/zinc/26/67/96/590266796.db2.gz YGWCHJLLWIUWNN-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875061244 590266798 /nfs/dbraw/zinc/26/67/98/590266798.db2.gz YGWCHJLLWIUWNN-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000879528474 590318124 /nfs/dbraw/zinc/31/81/24/590318124.db2.gz WEWAZWDXNFWZJU-AWEZNQCLSA-N 1 3 342.484 0.994 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875727156 590326319 /nfs/dbraw/zinc/32/63/19/590326319.db2.gz XGVYZNLCWNXNOC-SWKXRBFHSA-N 1 3 338.496 0.918 20 0 ECADHO COC[C@@]1(CN(C)C)COCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000876474470 590379211 /nfs/dbraw/zinc/37/92/11/590379211.db2.gz COOMPRCCQYETBS-SFHVURJKSA-N 1 3 339.480 0.666 20 0 ECADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000876749808 590408705 /nfs/dbraw/zinc/40/87/05/590408705.db2.gz QQXNTDVQUVOFQA-ZLPVVSKCSA-N 1 3 336.480 0.457 20 0 ECADHO C[S@](=O)C1(C(=O)NC[C@@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000876846750 590418731 /nfs/dbraw/zinc/41/87/31/590418731.db2.gz SMCZLYBAHHMCTC-WNSKOXEYSA-N 1 3 335.473 0.490 20 0 ECADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000876876721 590420877 /nfs/dbraw/zinc/42/08/77/590420877.db2.gz JDHXHLVTPZQFTB-GRFNRIFCSA-N 1 3 334.508 0.884 20 0 ECADHO CN1CCN(CCCC[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876928524 590427451 /nfs/dbraw/zinc/42/74/51/590427451.db2.gz HVZNBJZMBKCRLK-UHFFFAOYSA-N 1 3 340.493 0.451 20 0 ECADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(-n3cncn3)nc2)CC1 ZINC000876932851 590427731 /nfs/dbraw/zinc/42/77/31/590427731.db2.gz XZLKOZSWVZIAIY-UHFFFAOYSA-N 1 3 330.436 0.987 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000881624186 590461744 /nfs/dbraw/zinc/46/17/44/590461744.db2.gz IPWIYWGPXQGTLH-INIZCTEOSA-N 1 3 348.491 0.946 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000881624186 590461747 /nfs/dbraw/zinc/46/17/47/590461747.db2.gz IPWIYWGPXQGTLH-INIZCTEOSA-N 1 3 348.491 0.946 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)N(CCOC)CC1CC[NH+](C)CC1 ZINC000879123422 590564898 /nfs/dbraw/zinc/56/48/98/590564898.db2.gz HITYEQWREVOGGY-ZDUSSCGKSA-N 1 3 328.457 0.511 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCN1C ZINC000884879001 590640032 /nfs/dbraw/zinc/64/00/32/590640032.db2.gz PCOZOYGSQBAAGJ-QLFBSQMISA-N 1 3 338.496 0.822 20 0 ECADHO C[NH2+]CCOc1cccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000884207657 590774913 /nfs/dbraw/zinc/77/49/13/590774913.db2.gz BTDLJLUNULZJFR-NVXWUHKLSA-N 1 3 333.432 0.878 20 0 ECADHO C[NH2+]CCOc1ccccc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000884208003 590776171 /nfs/dbraw/zinc/77/61/71/590776171.db2.gz MSJGRHUZVYGDSV-LSDHHAIUSA-N 1 3 333.432 0.878 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884576723 590861788 /nfs/dbraw/zinc/86/17/88/590861788.db2.gz OUFOZVLDQSYQFI-JONQDZQNSA-N 1 3 336.480 0.481 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CCSC1 ZINC000884612315 590871847 /nfs/dbraw/zinc/87/18/47/590871847.db2.gz JILLAVOBGHIWDP-BBRMVZONSA-N 1 3 342.509 0.270 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000884631728 590878858 /nfs/dbraw/zinc/87/88/58/590878858.db2.gz VMLVSMNMCMXXND-GJZGRUSLSA-N 1 3 336.480 0.481 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884683033 590892521 /nfs/dbraw/zinc/89/25/21/590892521.db2.gz SKOCKEOBUDXSTO-LSDHHAIUSA-N 1 3 345.447 0.377 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000884691899 590898204 /nfs/dbraw/zinc/89/82/04/590898204.db2.gz XJYWYERNHNKBFA-GJZGRUSLSA-N 1 3 345.447 0.235 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884692375 590899510 /nfs/dbraw/zinc/89/95/10/590899510.db2.gz VDEVWHPISHWSIZ-HUUCEWRRSA-N 1 3 345.447 0.235 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884700081 590900887 /nfs/dbraw/zinc/90/08/87/590900887.db2.gz MBJTZBOEJXBZSE-LSDHHAIUSA-N 1 3 347.463 0.608 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884720142 590908763 /nfs/dbraw/zinc/90/87/63/590908763.db2.gz GWADOSOTBQADOM-IJEWVQPXSA-N 1 3 345.447 0.233 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884785621 590922521 /nfs/dbraw/zinc/92/25/21/590922521.db2.gz AWHAODKMTOSDMW-JKSUJKDBSA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884810808 590927054 /nfs/dbraw/zinc/92/70/54/590927054.db2.gz KMRRSIRDYSIHEX-VNQPRFMTSA-N 1 3 345.447 0.375 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884838460 590932642 /nfs/dbraw/zinc/93/26/42/590932642.db2.gz HWOSOIXVQXXMPH-UHFFFAOYSA-N 1 3 344.459 0.501 20 0 ECADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CC(=O)NC1CCN(C)CC1 ZINC000887134721 590947428 /nfs/dbraw/zinc/94/74/28/590947428.db2.gz PDDHVQFHMKUAHD-HNNXBMFYSA-N 1 3 331.464 0.803 20 0 ECADHO CC(C)[NH+](CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C(C)C ZINC000887598851 590979559 /nfs/dbraw/zinc/97/95/59/590979559.db2.gz KCGZJEBCRSNOBP-HNNXBMFYSA-N 1 3 341.500 0.867 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000887753880 590999382 /nfs/dbraw/zinc/99/93/82/590999382.db2.gz PJOHNPLSAUZTSB-ILXRZTDVSA-N 1 3 337.468 0.375 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000887753880 590999386 /nfs/dbraw/zinc/99/93/86/590999386.db2.gz PJOHNPLSAUZTSB-ILXRZTDVSA-N 1 3 337.468 0.375 20 0 ECADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889743759 591076236 /nfs/dbraw/zinc/07/62/36/591076236.db2.gz IEHHVBPIHJXCCU-SJORKVTESA-N 1 3 337.464 0.155 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2CC1)N(C)C ZINC000946642332 611383550 /nfs/dbraw/zinc/38/35/50/611383550.db2.gz FKOXPTYAHYKUIU-LVQVYYBASA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2CC1)N(C)C ZINC000946642332 611383553 /nfs/dbraw/zinc/38/35/53/611383553.db2.gz FKOXPTYAHYKUIU-LVQVYYBASA-N 1 3 338.496 0.632 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000948246429 611486708 /nfs/dbraw/zinc/48/67/08/611486708.db2.gz XRAOJROHJLKDEZ-HZPDHXFCSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000948246429 611486711 /nfs/dbraw/zinc/48/67/11/611486711.db2.gz XRAOJROHJLKDEZ-HZPDHXFCSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCCN(CCN3CCOCC3)C1)[NH2+]2 ZINC000925768677 611498845 /nfs/dbraw/zinc/49/88/45/611498845.db2.gz LOTDFDXAXAOZAR-SPOLIRPYSA-N 1 3 336.524 0.902 20 0 ECADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nnc2c(=O)n(C)ccn12 ZINC000925773046 611499548 /nfs/dbraw/zinc/49/95/48/611499548.db2.gz LUHNTDFYUGMNBM-KBPBESRZSA-N 1 3 332.452 0.871 20 0 ECADHO CCOC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000931217773 611520503 /nfs/dbraw/zinc/52/05/03/611520503.db2.gz YOUONJNZFMTHKV-HZPDHXFCSA-N 1 3 337.464 0.860 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000937486636 608814165 /nfs/dbraw/zinc/81/41/65/608814165.db2.gz ZUINLEDXCNFSRK-ZFWWWQNUSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000937486636 608814167 /nfs/dbraw/zinc/81/41/67/608814167.db2.gz ZUINLEDXCNFSRK-ZFWWWQNUSA-N 1 3 333.436 0.401 20 0 ECADHO CCN(C)C[C@@H](O)C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934752328 608857450 /nfs/dbraw/zinc/85/74/50/608857450.db2.gz OADYESFFJQRCFG-IVZQSRNASA-N 1 3 334.530 0.585 20 0 ECADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948631841 611672661 /nfs/dbraw/zinc/67/26/61/611672661.db2.gz QYYADPMSMXHUDN-BNQMIIOLSA-N 1 3 337.464 0.155 20 0 ECADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948631841 611672663 /nfs/dbraw/zinc/67/26/63/611672663.db2.gz QYYADPMSMXHUDN-BNQMIIOLSA-N 1 3 337.464 0.155 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000936283367 609053752 /nfs/dbraw/zinc/05/37/52/609053752.db2.gz TVQPEBRZZKSBHR-ZBFHGGJFSA-N 1 3 347.463 0.932 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000936283367 609053755 /nfs/dbraw/zinc/05/37/55/609053755.db2.gz TVQPEBRZZKSBHR-ZBFHGGJFSA-N 1 3 347.463 0.932 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000937947864 609413596 /nfs/dbraw/zinc/41/35/96/609413596.db2.gz GKICUQMORDKVPN-HRCADAONSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000937947864 609413598 /nfs/dbraw/zinc/41/35/98/609413598.db2.gz GKICUQMORDKVPN-HRCADAONSA-N 1 3 336.480 0.671 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000938005842 609455433 /nfs/dbraw/zinc/45/54/33/609455433.db2.gz CJGCHPQDTJUCBJ-JKSUJKDBSA-N 1 3 334.464 0.141 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000938007802 609456773 /nfs/dbraw/zinc/45/67/73/609456773.db2.gz LBJKLWNRZPOIQP-ARFHVFGLSA-N 1 3 334.464 0.140 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000938320532 609734321 /nfs/dbraw/zinc/73/43/21/609734321.db2.gz IGYWGSYHFXKYNE-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@H](C(N)=O)N1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948743606 611710388 /nfs/dbraw/zinc/71/03/88/611710388.db2.gz ZDPFDBJTJWPCGR-HZPDHXFCSA-N 1 3 338.496 0.905 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000938384935 609766853 /nfs/dbraw/zinc/76/68/53/609766853.db2.gz AQXWHZYHDVRYJH-GJZGRUSLSA-N 1 3 347.463 0.852 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000938384935 609766854 /nfs/dbraw/zinc/76/68/54/609766854.db2.gz AQXWHZYHDVRYJH-GJZGRUSLSA-N 1 3 347.463 0.852 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911028439 609794715 /nfs/dbraw/zinc/79/47/15/609794715.db2.gz IBTNURWMMMUDHN-XUWVNRHRSA-N 1 3 338.496 0.585 20 0 ECADHO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000911222736 609829075 /nfs/dbraw/zinc/82/90/75/609829075.db2.gz HCQYTNOZYOXQEQ-IIDMSEBBSA-N 1 3 334.464 0.235 20 0 ECADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938544279 609849212 /nfs/dbraw/zinc/84/92/12/609849212.db2.gz NZOKPCVRWVTTFO-SJORKVTESA-N 1 3 348.491 0.483 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCCNCC1)c1cccnc1 ZINC000911421073 609865216 /nfs/dbraw/zinc/86/52/16/609865216.db2.gz UEZFJIUUNWSHFO-HNNXBMFYSA-N 1 3 333.436 0.013 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000911535091 609887235 /nfs/dbraw/zinc/88/72/35/609887235.db2.gz ZDBDGIXRYAVBIY-GOSISDBHSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911516075 609888960 /nfs/dbraw/zinc/88/89/60/609888960.db2.gz IOPPRBMWRBLEAH-NUEKZKHPSA-N 1 3 344.459 0.716 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911516075 609888963 /nfs/dbraw/zinc/88/89/63/609888963.db2.gz IOPPRBMWRBLEAH-NUEKZKHPSA-N 1 3 344.459 0.716 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517309 609890052 /nfs/dbraw/zinc/89/00/52/609890052.db2.gz RXQYSIZSOZSHPK-KBRIMQKVSA-N 1 3 344.459 0.528 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517309 609890054 /nfs/dbraw/zinc/89/00/54/609890054.db2.gz RXQYSIZSOZSHPK-KBRIMQKVSA-N 1 3 344.459 0.528 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911558364 609894540 /nfs/dbraw/zinc/89/45/40/609894540.db2.gz WLVJIDOAFZQLCB-JOCQHMNTSA-N 1 3 338.477 0.492 20 0 ECADHO C[NH2+]CC1CCN(C(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)CC1 ZINC000911777823 609910461 /nfs/dbraw/zinc/91/04/61/609910461.db2.gz LMDNBONTJBZPQZ-OAHLLOKOSA-N 1 3 330.432 0.970 20 0 ECADHO CN1CCN(C)[C@H](CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000917951778 609989337 /nfs/dbraw/zinc/98/93/37/609989337.db2.gz DREABFQSFMSQFW-ILXRZTDVSA-N 1 3 341.525 0.111 20 0 ECADHO CN1CCN(C)[C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000917951778 609989340 /nfs/dbraw/zinc/98/93/40/609989340.db2.gz DREABFQSFMSQFW-ILXRZTDVSA-N 1 3 341.525 0.111 20 0 ECADHO O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941414361 610303225 /nfs/dbraw/zinc/30/32/25/610303225.db2.gz RSBRIUULLCXLIL-AEFFLSMTSA-N 1 3 348.491 0.088 20 0 ECADHO O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941414361 610303227 /nfs/dbraw/zinc/30/32/27/610303227.db2.gz RSBRIUULLCXLIL-AEFFLSMTSA-N 1 3 348.491 0.088 20 0 ECADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000941474525 610331051 /nfs/dbraw/zinc/33/10/51/610331051.db2.gz TTXHFUKTUJLOJH-INIZCTEOSA-N 1 3 347.463 0.888 20 0 ECADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000941474525 610331053 /nfs/dbraw/zinc/33/10/53/610331053.db2.gz TTXHFUKTUJLOJH-INIZCTEOSA-N 1 3 347.463 0.888 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C2CC[NH+](C)CC2)CC1)N(C)C ZINC000941488864 610339284 /nfs/dbraw/zinc/33/92/84/610339284.db2.gz HEZGTUVTMJUYSQ-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000941676464 610448929 /nfs/dbraw/zinc/44/89/29/610448929.db2.gz CPZJXLZRJGWRPP-BFYDXBDKSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000941676464 610448931 /nfs/dbraw/zinc/44/89/31/610448931.db2.gz CPZJXLZRJGWRPP-BFYDXBDKSA-N 1 3 338.496 0.632 20 0 ECADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000942715341 610580323 /nfs/dbraw/zinc/58/03/23/610580323.db2.gz OAKPIUOCMAPOMO-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000941995271 610604439 /nfs/dbraw/zinc/60/44/39/610604439.db2.gz YFHNFBQKIVYFLH-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000941995271 610604441 /nfs/dbraw/zinc/60/44/41/610604441.db2.gz YFHNFBQKIVYFLH-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000942878002 610661279 /nfs/dbraw/zinc/66/12/79/610661279.db2.gz PNYBGMVEIBIVGG-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000945550059 611074322 /nfs/dbraw/zinc/07/43/22/611074322.db2.gz OMKXXPFECYPLGO-HIFRSBDPSA-N 1 3 345.447 0.401 20 0 ECADHO C[NH+](C)C1(CNC(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000923013207 611192496 /nfs/dbraw/zinc/19/24/96/611192496.db2.gz GCYRKNMMYJUSDQ-KRWDZBQOSA-N 1 3 346.475 0.799 20 0 ECADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCCN(CCO[C@H]2CCOC2)C1 ZINC000923398027 611237829 /nfs/dbraw/zinc/23/78/29/611237829.db2.gz ITTHPSNUJJONAN-CVEARBPZSA-N 1 3 349.479 0.804 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)c2cnccc2N(C)C)CCN1CC(=O)N(C)C ZINC000947940413 611257805 /nfs/dbraw/zinc/25/78/05/611257805.db2.gz PWJUAGXUBWAFEP-KBPBESRZSA-N 1 3 347.463 0.819 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)c2cnccc2N(C)C)CC[N@@H+]1CC(=O)N(C)C ZINC000947940413 611257807 /nfs/dbraw/zinc/25/78/07/611257807.db2.gz PWJUAGXUBWAFEP-KBPBESRZSA-N 1 3 347.463 0.819 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)c2cnccc2N(C)C)CC[N@H+]1CC(=O)N(C)C ZINC000947940413 611257809 /nfs/dbraw/zinc/25/78/09/611257809.db2.gz PWJUAGXUBWAFEP-KBPBESRZSA-N 1 3 347.463 0.819 20 0 ECADHO O=S(=O)(C1CNC1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923658501 611337306 /nfs/dbraw/zinc/33/73/06/611337306.db2.gz GUCGIZWYLXTKJQ-GFCCVEGCSA-N 1 3 342.490 0.389 20 0 ECADHO CN(CC(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC000951240136 612098056 /nfs/dbraw/zinc/09/80/56/612098056.db2.gz CRKLMXQDLKCUNI-HNNXBMFYSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000952034252 612192464 /nfs/dbraw/zinc/19/24/64/612192464.db2.gz LDWDDWJFWDHMEN-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954502541 612337392 /nfs/dbraw/zinc/33/73/92/612337392.db2.gz ICZAZVKGWKCGTE-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954502541 612337396 /nfs/dbraw/zinc/33/73/96/612337396.db2.gz ICZAZVKGWKCGTE-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C(=O)[C@H]1CCCCN1C)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000954707605 612576628 /nfs/dbraw/zinc/57/66/28/612576628.db2.gz XDTRUNLUIXLAOP-HZPDHXFCSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000954707899 612577229 /nfs/dbraw/zinc/57/72/29/612577229.db2.gz JVFMXBSDDFDRBV-CJNGLKHVSA-N 1 3 347.463 0.599 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000954707899 612577235 /nfs/dbraw/zinc/57/72/35/612577235.db2.gz JVFMXBSDDFDRBV-CJNGLKHVSA-N 1 3 347.463 0.599 20 0 ECADHO CN(C(=O)[C@H]1CCCCN1C)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000954707603 612577293 /nfs/dbraw/zinc/57/72/93/612577293.db2.gz XDTRUNLUIXLAOP-CVEARBPZSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000955443488 612590360 /nfs/dbraw/zinc/59/03/60/612590360.db2.gz ULVCVAAYDCDWQH-DZGCQCFKSA-N 1 3 345.447 0.496 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000955443488 612590364 /nfs/dbraw/zinc/59/03/64/612590364.db2.gz ULVCVAAYDCDWQH-DZGCQCFKSA-N 1 3 345.447 0.496 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000956022083 612622268 /nfs/dbraw/zinc/62/22/68/612622268.db2.gz ZZHRVBNHIIOHMF-INIZCTEOSA-N 1 3 348.491 0.818 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC000954847418 612742041 /nfs/dbraw/zinc/74/20/41/612742041.db2.gz VVCWSEBLCPOHTA-OAHLLOKOSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000956255236 612803193 /nfs/dbraw/zinc/80/31/93/612803193.db2.gz PXYZABUAYJUMPY-DZKIICNBSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000956255236 612803194 /nfs/dbraw/zinc/80/31/94/612803194.db2.gz PXYZABUAYJUMPY-DZKIICNBSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000954353700 612872531 /nfs/dbraw/zinc/87/25/31/612872531.db2.gz AXUNTSQKVUVDFK-YOEHRIQHSA-N 1 3 348.491 0.339 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(N(CCO)Cc3cccnc3)CC2)C1 ZINC001098561245 735480978 /nfs/dbraw/zinc/48/09/78/735480978.db2.gz YIGVUOOGGHYISJ-KRWDZBQOSA-N 1 3 346.475 0.819 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC(N(CCO)Cc3cccnc3)CC2)C1 ZINC001098561245 735480981 /nfs/dbraw/zinc/48/09/81/735480981.db2.gz YIGVUOOGGHYISJ-KRWDZBQOSA-N 1 3 346.475 0.819 20 0 ECADHO COC[C@@H](C)N1CC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969688424 732050409 /nfs/dbraw/zinc/05/04/09/732050409.db2.gz VWVDFHCCNVKQPR-KGLIPLIRSA-N 1 3 337.468 0.530 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000969721760 732083416 /nfs/dbraw/zinc/08/34/16/732083416.db2.gz KDFQLROLBZDYIB-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000969721760 732083422 /nfs/dbraw/zinc/08/34/22/732083422.db2.gz KDFQLROLBZDYIB-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001025098337 738643168 /nfs/dbraw/zinc/64/31/68/738643168.db2.gz OUEQGOLCNCYZOB-HUUCEWRRSA-N 1 3 343.435 0.702 20 0 ECADHO CCCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225669 733068738 /nfs/dbraw/zinc/06/87/38/733068738.db2.gz WOCYQEIMLNHDBV-OAHLLOKOSA-N 1 3 338.496 0.873 20 0 ECADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167236912 733083838 /nfs/dbraw/zinc/08/38/38/733083838.db2.gz SCNLVFPWZPAIGV-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1)C(N)=O ZINC001167240800 733087160 /nfs/dbraw/zinc/08/71/60/733087160.db2.gz UIXNOCRIPDTZGV-CYBMUJFWSA-N 1 3 326.485 0.714 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)N2CCCC2)CC1)N(C)C ZINC001167251380 733095578 /nfs/dbraw/zinc/09/55/78/733095578.db2.gz SDTQXUOIIHPDOT-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)CNC(=O)C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206954766 733126059 /nfs/dbraw/zinc/12/60/59/733126059.db2.gz WFFDLLBYCWTJKC-UHFFFAOYSA-N 1 3 340.512 0.927 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)cc1 ZINC000970270485 733284924 /nfs/dbraw/zinc/28/49/24/733284924.db2.gz OESVTUWTACMHSR-HZPDHXFCSA-N 1 3 330.432 0.441 20 0 ECADHO CCN1CC[C@H](NC[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001025140476 738711381 /nfs/dbraw/zinc/71/13/81/738711381.db2.gz HBBXIARGGJZAAZ-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)N1CCCCC1 ZINC000970492939 733611498 /nfs/dbraw/zinc/61/14/98/733611498.db2.gz YLAQSCQUGKDRMH-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)CCCOC)CC1 ZINC001098540462 733835515 /nfs/dbraw/zinc/83/55/15/733835515.db2.gz NECAOANJQNCXAA-UHFFFAOYSA-N 1 3 329.485 0.650 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)CCCOC)CC1 ZINC001098540462 733835518 /nfs/dbraw/zinc/83/55/18/733835518.db2.gz NECAOANJQNCXAA-UHFFFAOYSA-N 1 3 329.485 0.650 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC000970714734 733863539 /nfs/dbraw/zinc/86/35/39/733863539.db2.gz JUEWVIONWYUWKT-CHWSQXEVSA-N 1 3 335.404 0.291 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000970714734 733863542 /nfs/dbraw/zinc/86/35/42/733863542.db2.gz JUEWVIONWYUWKT-CHWSQXEVSA-N 1 3 335.404 0.291 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000970718842 733866943 /nfs/dbraw/zinc/86/69/43/733866943.db2.gz XHXVKDOGLHPXPM-LSDHHAIUSA-N 1 3 343.493 0.098 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001210585010 733868267 /nfs/dbraw/zinc/86/82/67/733868267.db2.gz NYHHKJUOEARCHA-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001210585010 733868273 /nfs/dbraw/zinc/86/82/73/733868273.db2.gz NYHHKJUOEARCHA-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000970795181 733946388 /nfs/dbraw/zinc/94/63/88/733946388.db2.gz AKVCSFBTCCMVEY-IAGOWNOFSA-N 1 3 346.475 0.950 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104294350 734017012 /nfs/dbraw/zinc/01/70/12/734017012.db2.gz KUEKUOYXOOAHAZ-HZPDHXFCSA-N 1 3 348.495 0.837 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1)C1CC1 ZINC000971676881 734940844 /nfs/dbraw/zinc/94/08/44/734940844.db2.gz IFYAGFDFEVEKEK-IRXDYDNUSA-N 1 3 333.480 0.836 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1)C1CC1 ZINC000971676881 734940849 /nfs/dbraw/zinc/94/08/49/734940849.db2.gz IFYAGFDFEVEKEK-IRXDYDNUSA-N 1 3 333.480 0.836 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001078201132 782482593 /nfs/dbraw/zinc/48/25/93/782482593.db2.gz IJSUDGPUIZOPQV-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3cnn(C)c3)C2)C1 ZINC000972170913 735754214 /nfs/dbraw/zinc/75/42/14/735754214.db2.gz BREZNPXXHKRBPC-SJORKVTESA-N 1 3 349.479 0.562 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cnn(C)c3)C2)C1 ZINC000972170913 735754217 /nfs/dbraw/zinc/75/42/17/735754217.db2.gz BREZNPXXHKRBPC-SJORKVTESA-N 1 3 349.479 0.562 20 0 ECADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167626963 736152314 /nfs/dbraw/zinc/15/23/14/736152314.db2.gz IGICKKQCXWIJFI-OAHLLOKOSA-N 1 3 326.485 0.871 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001022956003 736315283 /nfs/dbraw/zinc/31/52/83/736315283.db2.gz MGZGCKOCKLBBNI-IYBDPMFKSA-N 1 3 346.479 0.674 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001022975571 736345325 /nfs/dbraw/zinc/34/53/25/736345325.db2.gz OQPSZVMOVDWEPT-KBXIAJHMSA-N 1 3 334.468 0.672 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001023086418 736476360 /nfs/dbraw/zinc/47/63/60/736476360.db2.gz LFLREVNPECGGQD-UPJWGTAASA-N 1 3 335.404 0.337 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001023086418 736476362 /nfs/dbraw/zinc/47/63/62/736476362.db2.gz LFLREVNPECGGQD-UPJWGTAASA-N 1 3 335.404 0.337 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001023560047 737011321 /nfs/dbraw/zinc/01/13/21/737011321.db2.gz JYAIBXZRJJUTLE-QWHCGFSZSA-N 1 3 336.436 0.657 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001023560047 737011326 /nfs/dbraw/zinc/01/13/26/737011326.db2.gz JYAIBXZRJJUTLE-QWHCGFSZSA-N 1 3 336.436 0.657 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001067462245 737306089 /nfs/dbraw/zinc/30/60/89/737306089.db2.gz FRPQMZWHUGQBCT-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067462245 737306091 /nfs/dbraw/zinc/30/60/91/737306091.db2.gz FRPQMZWHUGQBCT-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001067463405 737316615 /nfs/dbraw/zinc/31/66/15/737316615.db2.gz ZFRFBAXIKCSZRJ-OAHLLOKOSA-N 1 3 340.512 0.975 20 0 ECADHO CCN(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067463405 737316618 /nfs/dbraw/zinc/31/66/18/737316618.db2.gz ZFRFBAXIKCSZRJ-OAHLLOKOSA-N 1 3 340.512 0.975 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](CNCc2cn(C)nn2)C1 ZINC001024156291 737783314 /nfs/dbraw/zinc/78/33/14/737783314.db2.gz KWZGUXLLPBXMJM-CABCVRRESA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](CNCc2cn(C)nn2)C1 ZINC001024156291 737783320 /nfs/dbraw/zinc/78/33/20/737783320.db2.gz KWZGUXLLPBXMJM-CABCVRRESA-N 1 3 334.468 0.628 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024238149 737844843 /nfs/dbraw/zinc/84/48/43/737844843.db2.gz YHFKJYNEJCEWBG-HZPDHXFCSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024238149 737844848 /nfs/dbraw/zinc/84/48/48/737844848.db2.gz YHFKJYNEJCEWBG-HZPDHXFCSA-N 1 3 348.495 0.968 20 0 ECADHO C[C@H](NC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nncn1C ZINC001024238099 737844862 /nfs/dbraw/zinc/84/48/62/737844862.db2.gz HWGWNGJEPPTYOU-LSDHHAIUSA-N 1 3 346.479 0.800 20 0 ECADHO Cn1cc(CCN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001024800428 738305887 /nfs/dbraw/zinc/30/58/87/738305887.db2.gz FERQTWORUANPHH-IRXDYDNUSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1cc(CCN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001024800428 738305890 /nfs/dbraw/zinc/30/58/90/738305890.db2.gz FERQTWORUANPHH-IRXDYDNUSA-N 1 3 333.480 0.885 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000973466596 739336368 /nfs/dbraw/zinc/33/63/68/739336368.db2.gz SFEVLFKPUJJUBV-KLHDSHLOSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000973466596 739336371 /nfs/dbraw/zinc/33/63/71/739336371.db2.gz SFEVLFKPUJJUBV-KLHDSHLOSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(N)=O ZINC001104684203 739480498 /nfs/dbraw/zinc/48/04/98/739480498.db2.gz ZAGVXZHYLSSQGT-QLFBSQMISA-N 1 3 338.496 0.666 20 0 ECADHO Cc1nc(N)nc2c1nc(NC(=N)NCCCC[NH3+])c(=O)n2C(C)C ZINC001167878383 751509530 /nfs/dbraw/zinc/50/95/30/751509530.db2.gz LJIQRTTYRCFIRV-UHFFFAOYSA-N 1 3 347.427 0.333 20 0 ECADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)NC2CCCC2)C1 ZINC001100769564 740320778 /nfs/dbraw/zinc/32/07/78/740320778.db2.gz PTZXMCKQBZVYOE-UHFFFAOYSA-N 1 3 338.496 0.871 20 0 ECADHO CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026043409 740336150 /nfs/dbraw/zinc/33/61/50/740336150.db2.gz QPOLYSFKRKIBOQ-ZNFSNMQZSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026043409 740336155 /nfs/dbraw/zinc/33/61/55/740336155.db2.gz QPOLYSFKRKIBOQ-ZNFSNMQZSA-N 1 3 348.491 0.526 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001026149217 740424199 /nfs/dbraw/zinc/42/41/99/740424199.db2.gz XLXVLLHMVQDWBG-YXISZKLHSA-N 1 3 331.464 0.802 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001026149217 740424202 /nfs/dbraw/zinc/42/42/02/740424202.db2.gz XLXVLLHMVQDWBG-YXISZKLHSA-N 1 3 331.464 0.802 20 0 ECADHO Cn1cc(CN[C@H]2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)nn1 ZINC001026349032 740987454 /nfs/dbraw/zinc/98/74/54/740987454.db2.gz VFLWZOBBFBRPAZ-XIRDDKMYSA-N 1 3 346.479 0.484 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cc3nc[nH]c3C)C2)CC[N@@H+]1C ZINC000974190227 741077054 /nfs/dbraw/zinc/07/70/54/741077054.db2.gz FJRFVUXZJZTBBR-KNCOVGOOSA-N 1 3 347.463 0.754 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cc3nc[nH]c3C)C2)CC[N@H+]1C ZINC000974190227 741077057 /nfs/dbraw/zinc/07/70/57/741077057.db2.gz FJRFVUXZJZTBBR-KNCOVGOOSA-N 1 3 347.463 0.754 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001105066930 741285293 /nfs/dbraw/zinc/28/52/93/741285293.db2.gz GWDJHPCQYGTCFL-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)c1 ZINC001026427509 741355887 /nfs/dbraw/zinc/35/58/87/741355887.db2.gz OZNGVGFKYFPUFW-GVDBMIGSSA-N 1 3 344.459 0.674 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)[C@H]1CCCN1C ZINC001020456946 751642585 /nfs/dbraw/zinc/64/25/85/751642585.db2.gz WGVZVGZEOKZWAZ-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)[C@H]1CCCN1C ZINC001020456946 751642589 /nfs/dbraw/zinc/64/25/89/751642589.db2.gz WGVZVGZEOKZWAZ-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001020464057 751654876 /nfs/dbraw/zinc/65/48/76/751654876.db2.gz WHAVSMBPBIAEKN-HDJSIYSDSA-N 1 3 334.468 0.909 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)CCC1 ZINC001026886288 742042106 /nfs/dbraw/zinc/04/21/06/742042106.db2.gz UDIQXYVLQPORAF-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001026888590 742046215 /nfs/dbraw/zinc/04/62/15/742046215.db2.gz IMIURBRQHDTTNP-BBRMVZONSA-N 1 3 334.468 0.576 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)nn1 ZINC001026920833 742087088 /nfs/dbraw/zinc/08/70/88/742087088.db2.gz IMNAQZCFKLFTPF-GOEBONIOSA-N 1 3 347.463 0.908 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)nn2)C1)N(C)C ZINC001026916225 742091798 /nfs/dbraw/zinc/09/17/98/742091798.db2.gz DXBWBGRQIMPCSJ-DZGCQCFKSA-N 1 3 335.452 0.764 20 0 ECADHO COCCN1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974825188 742223836 /nfs/dbraw/zinc/22/38/36/742223836.db2.gz KGPJQKZFFWVGGA-DGSCNEQVSA-N 1 3 337.464 0.323 20 0 ECADHO COCCN1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974825188 742223839 /nfs/dbraw/zinc/22/38/39/742223839.db2.gz KGPJQKZFFWVGGA-DGSCNEQVSA-N 1 3 337.464 0.323 20 0 ECADHO CCc1nnc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1C ZINC001027063973 742433049 /nfs/dbraw/zinc/43/30/49/742433049.db2.gz WOTOFCCXMKROJI-LSDHHAIUSA-N 1 3 348.495 0.800 20 0 ECADHO CCc1nnc(CNC[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1C ZINC001027063973 742433051 /nfs/dbraw/zinc/43/30/51/742433051.db2.gz WOTOFCCXMKROJI-LSDHHAIUSA-N 1 3 348.495 0.800 20 0 ECADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1=O ZINC000996997719 743109343 /nfs/dbraw/zinc/10/93/43/743109343.db2.gz FYJIIYDMHDTCFN-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC000996998495 743109739 /nfs/dbraw/zinc/10/97/39/743109739.db2.gz KAYUEAGROBJGEI-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027215481 743187109 /nfs/dbraw/zinc/18/71/09/743187109.db2.gz JKVRGGOIXAGOIP-KBPBESRZSA-N 1 3 333.436 0.375 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027215481 743187115 /nfs/dbraw/zinc/18/71/15/743187115.db2.gz JKVRGGOIXAGOIP-KBPBESRZSA-N 1 3 333.436 0.375 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027215936 743189630 /nfs/dbraw/zinc/18/96/30/743189630.db2.gz OYIKZWHVHTUNMV-KGLIPLIRSA-N 1 3 333.436 0.375 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027215936 743189635 /nfs/dbraw/zinc/18/96/35/743189635.db2.gz OYIKZWHVHTUNMV-KGLIPLIRSA-N 1 3 333.436 0.375 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001027217932 743195432 /nfs/dbraw/zinc/19/54/32/743195432.db2.gz SZNMHGWLCYXVJJ-OAHLLOKOSA-N 1 3 331.464 0.863 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001027218071 743195458 /nfs/dbraw/zinc/19/54/58/743195458.db2.gz XDYNUPOVBMHQRW-AWEZNQCLSA-N 1 3 333.436 0.519 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001027234841 743249679 /nfs/dbraw/zinc/24/96/79/743249679.db2.gz GJEWZOCXZPRZTN-GDBMZVCRSA-N 1 3 334.468 0.628 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001027234841 743249685 /nfs/dbraw/zinc/24/96/85/743249685.db2.gz GJEWZOCXZPRZTN-GDBMZVCRSA-N 1 3 334.468 0.628 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997366302 743537750 /nfs/dbraw/zinc/53/77/50/743537750.db2.gz AMRCMEALYANRCE-KRWDZBQOSA-N 1 3 344.459 0.831 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)n1 ZINC001020589045 751851326 /nfs/dbraw/zinc/85/13/26/751851326.db2.gz VNIUEVBUZCWNRR-RCBQFDQVSA-N 1 3 334.468 0.474 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3cnnn3C)CC2)C1 ZINC000998081551 743966534 /nfs/dbraw/zinc/96/65/34/743966534.db2.gz JJWOYHSMKHGWCA-AWEZNQCLSA-N 1 3 334.468 0.485 20 0 ECADHO O=C(N1CC[C@@H](C(F)(F)F)[C@H](NCCO)C1)C12CCC[NH+]1CCC2 ZINC000998283438 744098074 /nfs/dbraw/zinc/09/80/74/744098074.db2.gz WECHDNALVVMROA-CHWSQXEVSA-N 1 3 349.397 0.976 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]32)CC[N@@H+]1C ZINC000976599422 744124343 /nfs/dbraw/zinc/12/43/43/744124343.db2.gz CSHQAFKHERUEGV-SJRVDFGRSA-N 1 3 348.491 0.384 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]32)CC[N@H+]1C ZINC000976599422 744124346 /nfs/dbraw/zinc/12/43/46/744124346.db2.gz CSHQAFKHERUEGV-SJRVDFGRSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000976601047 744126032 /nfs/dbraw/zinc/12/60/32/744126032.db2.gz JBXDANQUNTTXDB-OAEZHTQQSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000976601047 744126034 /nfs/dbraw/zinc/12/60/34/744126034.db2.gz JBXDANQUNTTXDB-OAEZHTQQSA-N 1 3 348.491 0.384 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976668815 744201662 /nfs/dbraw/zinc/20/16/62/744201662.db2.gz XPQUBCYEZADYLH-FIDHJVLJSA-N 1 3 348.491 0.386 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976668815 744201666 /nfs/dbraw/zinc/20/16/66/744201666.db2.gz XPQUBCYEZADYLH-FIDHJVLJSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CC(NCc2cnnn2C)C1 ZINC000999051813 744486586 /nfs/dbraw/zinc/48/65/86/744486586.db2.gz SGSBHFDTCQXLDP-UHFFFAOYSA-N 1 3 332.452 0.523 20 0 ECADHO CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC(NCc2nncn2C)C1 ZINC000999056970 744490378 /nfs/dbraw/zinc/49/03/78/744490378.db2.gz KLDZJPDVSCILHV-UHFFFAOYSA-N 1 3 339.403 0.856 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1)C1CC1 ZINC000999367041 744657428 /nfs/dbraw/zinc/65/74/28/744657428.db2.gz DLJMNNBMIYSZJT-IRXDYDNUSA-N 1 3 333.480 0.883 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000999369818 744660612 /nfs/dbraw/zinc/66/06/12/744660612.db2.gz KOUXJLYEFALKCE-FUHWJXTLSA-N 1 3 346.475 0.806 20 0 ECADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)C1CCC1 ZINC000999380740 744667434 /nfs/dbraw/zinc/66/74/34/744667434.db2.gz WDSKRYHPDLVOLS-AWEZNQCLSA-N 1 3 337.468 0.077 20 0 ECADHO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC001027481472 744730700 /nfs/dbraw/zinc/73/07/00/744730700.db2.gz RYOPBETVXAWSRH-GOEBONIOSA-N 1 3 341.415 0.759 20 0 ECADHO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC001027481472 744730705 /nfs/dbraw/zinc/73/07/05/744730705.db2.gz RYOPBETVXAWSRH-GOEBONIOSA-N 1 3 341.415 0.759 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000977204731 744762832 /nfs/dbraw/zinc/76/28/32/744762832.db2.gz QAEMGCDWSGKGIA-KMANFZQXSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C[C@H]32)C1 ZINC000977205587 744764940 /nfs/dbraw/zinc/76/49/40/744764940.db2.gz WTAJLYAQRXZFMJ-LCEIHVTHSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)C1 ZINC000977205587 744764942 /nfs/dbraw/zinc/76/49/42/744764942.db2.gz WTAJLYAQRXZFMJ-LCEIHVTHSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H](O)CN1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977300612 744845894 /nfs/dbraw/zinc/84/58/94/744845894.db2.gz FTEONDLMELCMRF-HIFRSBDPSA-N 1 3 337.468 0.266 20 0 ECADHO CN(C)c1ccncc1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000999699254 744850465 /nfs/dbraw/zinc/85/04/65/744850465.db2.gz PFQQWGUGOPTRNZ-UHFFFAOYSA-N 1 3 343.435 0.669 20 0 ECADHO C[C@H]([NH2+]C1CC(N(C)C(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC000999869069 744969462 /nfs/dbraw/zinc/96/94/62/744969462.db2.gz DCYAOWQFPADKFU-GRTSSRMGSA-N 1 3 332.448 0.815 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000999876837 744985016 /nfs/dbraw/zinc/98/50/16/744985016.db2.gz LMOZAIPLZOGZDO-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCNC1=O)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107061 745098293 /nfs/dbraw/zinc/09/82/93/745098293.db2.gz GSGNHADRICFVSK-DZGCQCFKSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001029170466 745200093 /nfs/dbraw/zinc/20/00/93/745200093.db2.gz PZHJKDOULADHQZ-HIFRSBDPSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001029170466 745200097 /nfs/dbraw/zinc/20/00/97/745200097.db2.gz PZHJKDOULADHQZ-HIFRSBDPSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H](N[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1)C(N)=O ZINC001000200059 745338908 /nfs/dbraw/zinc/33/89/08/745338908.db2.gz OOFNEQACLKGZNZ-PBHICJAKSA-N 1 3 346.475 0.859 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000977762465 745488021 /nfs/dbraw/zinc/48/80/21/745488021.db2.gz VMUABMDWIXJYIH-IRXDYDNUSA-N 1 3 348.491 0.483 20 0 ECADHO CO[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978136 745947445 /nfs/dbraw/zinc/94/74/45/745947445.db2.gz SOATWMDKWOUNNI-BBPFYFEFSA-N 1 3 349.475 0.633 20 0 ECADHO CO[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978136 745947446 /nfs/dbraw/zinc/94/74/46/745947446.db2.gz SOATWMDKWOUNNI-BBPFYFEFSA-N 1 3 349.475 0.633 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001001007462 745972168 /nfs/dbraw/zinc/97/21/68/745972168.db2.gz KPJVFJSPWHSDPQ-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001394018 746337270 /nfs/dbraw/zinc/33/72/70/746337270.db2.gz UAZQVRRUSXUUQZ-HOTGVXAUSA-N 1 3 338.496 0.951 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001394018 746337275 /nfs/dbraw/zinc/33/72/75/746337275.db2.gz UAZQVRRUSXUUQZ-HOTGVXAUSA-N 1 3 338.496 0.951 20 0 ECADHO O=C(N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000984375396 746362028 /nfs/dbraw/zinc/36/20/28/746362028.db2.gz YGWAQFLQFJAMHE-ZCJRXKBKSA-N 1 3 349.475 0.371 20 0 ECADHO Cn1nccc1CCN1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001001447901 746386168 /nfs/dbraw/zinc/38/61/68/746386168.db2.gz DTGCFSZPIFCRCG-MRXNPFEDSA-N 1 3 331.464 0.663 20 0 ECADHO Cn1nccc1CCN1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001001447901 746386173 /nfs/dbraw/zinc/38/61/73/746386173.db2.gz DTGCFSZPIFCRCG-MRXNPFEDSA-N 1 3 331.464 0.663 20 0 ECADHO C[NH+](C)CCC(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101351467 746396709 /nfs/dbraw/zinc/39/67/09/746396709.db2.gz GUHTZNBNFWMUQT-QAPCUYQASA-N 1 3 336.480 0.245 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001001884121 746783775 /nfs/dbraw/zinc/78/37/75/746783775.db2.gz BECPNGRYYNIRCY-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001001884121 746783779 /nfs/dbraw/zinc/78/37/79/746783779.db2.gz BECPNGRYYNIRCY-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001001903432 746795708 /nfs/dbraw/zinc/79/57/08/746795708.db2.gz BGZIXHGRCXEOKO-DLBZAZTESA-N 1 3 348.491 0.531 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001001903432 746795712 /nfs/dbraw/zinc/79/57/12/746795712.db2.gz BGZIXHGRCXEOKO-DLBZAZTESA-N 1 3 348.491 0.531 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984710686 746869893 /nfs/dbraw/zinc/86/98/93/746869893.db2.gz VHPHOLMEJSEXNZ-HIFRSBDPSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984710686 746869900 /nfs/dbraw/zinc/86/99/00/746869900.db2.gz VHPHOLMEJSEXNZ-HIFRSBDPSA-N 1 3 333.436 0.353 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001001997621 746873792 /nfs/dbraw/zinc/87/37/92/746873792.db2.gz ATGIYARNCLMJMN-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001001997621 746873797 /nfs/dbraw/zinc/87/37/97/746873797.db2.gz ATGIYARNCLMJMN-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC000984799405 746955177 /nfs/dbraw/zinc/95/51/77/746955177.db2.gz GZAKAASBSONYQE-KKUMJFAQSA-N 1 3 334.468 0.767 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC000984806537 746962071 /nfs/dbraw/zinc/96/20/71/746962071.db2.gz 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748226214 /nfs/dbraw/zinc/22/62/14/748226214.db2.gz CQGVJNHSSHQHLO-IRXDYDNUSA-N 1 3 346.479 0.876 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001003142724 748226221 /nfs/dbraw/zinc/22/62/21/748226221.db2.gz CQGVJNHSSHQHLO-IRXDYDNUSA-N 1 3 346.479 0.876 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1)[NH+](C)C ZINC000985480149 748227144 /nfs/dbraw/zinc/22/71/44/748227144.db2.gz AGRUHXOSVDWJMB-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003334803 748438232 /nfs/dbraw/zinc/43/82/32/748438232.db2.gz XDZXVUNEWONURN-QBPRILJRSA-N 1 3 337.464 0.465 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@H]1CCN(C)C1=O ZINC001029826033 748630432 /nfs/dbraw/zinc/63/04/32/748630432.db2.gz KYVPHGPJDKHKQA-ZBFHGGJFSA-N 1 3 336.480 0.339 20 0 ECADHO C[N@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@@H]1CCNC(=O)CC1 ZINC001029852903 748830511 /nfs/dbraw/zinc/83/05/11/748830511.db2.gz JKHNSWJMFSVPNL-LSDHHAIUSA-N 1 3 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ZINC001004145761 749258063 /nfs/dbraw/zinc/25/80/63/749258063.db2.gz UATXLANEJKGKAN-HNNXBMFYSA-N 1 3 332.448 0.418 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC001004363390 749429007 /nfs/dbraw/zinc/42/90/07/749429007.db2.gz WEUWDZZOIDDWRB-XZDPQHSOSA-N 1 3 345.447 0.542 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC001004363390 749429015 /nfs/dbraw/zinc/42/90/15/749429015.db2.gz WEUWDZZOIDDWRB-XZDPQHSOSA-N 1 3 345.447 0.542 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004388101 749454683 /nfs/dbraw/zinc/45/46/83/749454683.db2.gz PPZOTVZMRPWHPA-LVQVYYBASA-N 1 3 346.475 0.425 20 0 ECADHO Cc1nn(C)cc1CN(C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001029902724 749525117 /nfs/dbraw/zinc/52/51/17/749525117.db2.gz VVNDVMNKSYZGON-HOTGVXAUSA-N 1 3 333.480 0.961 20 0 ECADHO Cc1nn(C)cc1CN(C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001029902724 749525118 /nfs/dbraw/zinc/52/51/18/749525118.db2.gz VVNDVMNKSYZGON-HOTGVXAUSA-N 1 3 333.480 0.961 20 0 ECADHO C[N@@H+](C[C@H]1CCc2ncnn21)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904557 749534917 /nfs/dbraw/zinc/53/49/17/749534917.db2.gz YDUTWIXCEHEQBW-HZPDHXFCSA-N 1 3 346.479 0.642 20 0 ECADHO C[N@H+](C[C@H]1CCc2ncnn21)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904557 749534920 /nfs/dbraw/zinc/53/49/20/749534920.db2.gz YDUTWIXCEHEQBW-HZPDHXFCSA-N 1 3 346.479 0.642 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004475990 749546107 /nfs/dbraw/zinc/54/61/07/749546107.db2.gz WJERPXICKWIBMM-HOTGVXAUSA-N 1 3 336.480 0.659 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004475990 749546114 /nfs/dbraw/zinc/54/61/14/749546114.db2.gz WJERPXICKWIBMM-HOTGVXAUSA-N 1 3 336.480 0.659 20 0 ECADHO CCn1nncc1C[NH2+]CC1(CCNC(=O)CN2CCCC2)CC1 ZINC001168147340 749832626 /nfs/dbraw/zinc/83/26/26/749832626.db2.gz QNVSWMQTTJIAQJ-UHFFFAOYSA-N 1 3 334.468 0.770 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC001005177926 750330926 /nfs/dbraw/zinc/33/09/26/750330926.db2.gz GEUFWHYPWODUHO-QGZVFWFLSA-N 1 3 346.475 0.902 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987358549 750752347 /nfs/dbraw/zinc/75/23/47/750752347.db2.gz IGYJCPJJSPNRMU-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CCn1nncc1CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987359311 750754307 /nfs/dbraw/zinc/75/43/07/750754307.db2.gz NFQSUSSFVXTDOL-UKRRQHHQSA-N 1 3 332.452 0.473 20 0 ECADHO CO[C@@H](C)CN1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646448 750929643 /nfs/dbraw/zinc/92/96/43/750929643.db2.gz KNVWNRPBSNMNLT-UERKLNTKSA-N 1 3 337.464 0.419 20 0 ECADHO CO[C@@H](C)CN1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646448 750929649 /nfs/dbraw/zinc/92/96/49/750929649.db2.gz KNVWNRPBSNMNLT-UERKLNTKSA-N 1 3 337.464 0.419 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001021096213 752536144 /nfs/dbraw/zinc/53/61/44/752536144.db2.gz JIWSLSYEARRHDT-YHUYYLMFSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCCN3CC)C2)C1=O ZINC001021096480 752536684 /nfs/dbraw/zinc/53/66/84/752536684.db2.gz USOBDYSIDPIZAW-KLHDSHLOSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3CC)C2)C1=O ZINC001021096481 752537529 /nfs/dbraw/zinc/53/75/29/752537529.db2.gz USOBDYSIDPIZAW-VGWMRTNUSA-N 1 3 336.480 0.718 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000982546187 752857758 /nfs/dbraw/zinc/85/77/58/752857758.db2.gz LMNOTOHJOMZQSB-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CCCNCc1cn([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098680133 753210967 /nfs/dbraw/zinc/21/09/67/753210967.db2.gz ANIPYIZEUMBREZ-JKSUJKDBSA-N 1 3 334.468 0.891 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000938100588 753289393 /nfs/dbraw/zinc/28/93/93/753289393.db2.gz ALSGQBIRYZQGTM-GJZGRUSLSA-N 1 3 347.463 0.647 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000938100588 753289396 /nfs/dbraw/zinc/28/93/96/753289396.db2.gz ALSGQBIRYZQGTM-GJZGRUSLSA-N 1 3 347.463 0.647 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001030019550 753384745 /nfs/dbraw/zinc/38/47/45/753384745.db2.gz XZINKSLOXLHUEY-SOUVJXGZSA-N 1 3 334.468 0.686 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000989393716 753769614 /nfs/dbraw/zinc/76/96/14/753769614.db2.gz RXBNPWRAZWSSEX-FQLMCAECSA-N 1 3 347.463 0.788 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000989393716 753769620 /nfs/dbraw/zinc/76/96/20/753769620.db2.gz RXBNPWRAZWSSEX-FQLMCAECSA-N 1 3 347.463 0.788 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CCn2cncn2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449315 753944677 /nfs/dbraw/zinc/94/46/77/753944677.db2.gz GOOSIVXXDWDYGK-GJZGRUSLSA-N 1 3 334.468 0.589 20 0 ECADHO CN1CC[C@@H](N2CC[C@H](CNC(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001028624619 753966502 /nfs/dbraw/zinc/96/65/02/753966502.db2.gz DCOLQXAEIAHMEP-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051515722 762261079 /nfs/dbraw/zinc/26/10/79/762261079.db2.gz MJLNEAQXQGDMKE-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051517249 762263682 /nfs/dbraw/zinc/26/36/82/762263682.db2.gz ZNSGQAGKNBEFLF-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CCn2cncn2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605873 754187103 /nfs/dbraw/zinc/18/71/03/754187103.db2.gz NDLASIDLYFPEBG-HOTGVXAUSA-N 1 3 334.468 0.589 20 0 ECADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1N(CC(=O)N1CCCC1)CC2 ZINC000990011637 754647308 /nfs/dbraw/zinc/64/73/08/754647308.db2.gz CMXKQYWXUMHURM-JTDSTZFVSA-N 1 3 348.491 0.816 20 0 ECADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1N(CC(=O)N1CCCC1)CC2 ZINC000990011637 754647312 /nfs/dbraw/zinc/64/73/12/754647312.db2.gz CMXKQYWXUMHURM-JTDSTZFVSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(=O)N1CCCC1)CC2 ZINC000990011637 754647316 /nfs/dbraw/zinc/64/73/16/754647316.db2.gz CMXKQYWXUMHURM-JTDSTZFVSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(=O)N1CCCC1)CC2 ZINC000990011637 754647320 /nfs/dbraw/zinc/64/73/20/754647320.db2.gz CMXKQYWXUMHURM-JTDSTZFVSA-N 1 3 348.491 0.816 20 0 ECADHO NC(=O)c1ccc(CN2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001009532114 754982549 /nfs/dbraw/zinc/98/25/49/754982549.db2.gz WGMYNRUYWWNJEB-KRWDZBQOSA-N 1 3 344.459 0.962 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000983369397 755436247 /nfs/dbraw/zinc/43/62/47/755436247.db2.gz MVLINFJHTXGBLU-VNHYZAJKSA-N 1 3 333.436 0.257 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000983369397 755436248 /nfs/dbraw/zinc/43/62/48/755436248.db2.gz MVLINFJHTXGBLU-VNHYZAJKSA-N 1 3 333.436 0.257 20 0 ECADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001101039614 755603216 /nfs/dbraw/zinc/60/32/16/755603216.db2.gz UXNHFYKBBMRNGC-UHFFFAOYSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)N(C)CC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001142584207 755765822 /nfs/dbraw/zinc/76/58/22/755765822.db2.gz NLTGAZLMMRYKNX-UHFFFAOYSA-N 1 3 344.419 0.984 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001076241351 756252512 /nfs/dbraw/zinc/25/25/12/756252512.db2.gz MAIPVQTZBBFXCS-RYQLBKOJSA-N 1 3 345.491 0.980 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001076241351 756252514 /nfs/dbraw/zinc/25/25/14/756252514.db2.gz MAIPVQTZBBFXCS-RYQLBKOJSA-N 1 3 345.491 0.980 20 0 ECADHO Cn1cc(CCN2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cn1 ZINC001076462217 756551592 /nfs/dbraw/zinc/55/15/92/756551592.db2.gz MFNDWWUFNLVCDX-RYQLBKOJSA-N 1 3 345.491 0.837 20 0 ECADHO Cn1cc(CCN2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cn1 ZINC001076462217 756551595 /nfs/dbraw/zinc/55/15/95/756551595.db2.gz MFNDWWUFNLVCDX-RYQLBKOJSA-N 1 3 345.491 0.837 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001076587764 756692095 /nfs/dbraw/zinc/69/20/95/756692095.db2.gz CNTRBYBXZJUEJR-SOUVJXGZSA-N 1 3 326.485 0.535 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001076587764 756692098 /nfs/dbraw/zinc/69/20/98/756692098.db2.gz CNTRBYBXZJUEJR-SOUVJXGZSA-N 1 3 326.485 0.535 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001076658032 756797496 /nfs/dbraw/zinc/79/74/96/756797496.db2.gz BRICVUUWFWNKAH-HOCLYGCPSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)(C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1)N1CCCC1 ZINC000996127090 756999539 /nfs/dbraw/zinc/99/95/39/756999539.db2.gz MTAUMGSLLQECDF-HNNXBMFYSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001011177867 757128828 /nfs/dbraw/zinc/12/88/28/757128828.db2.gz CCAJMWQAMUWAJA-WBVHZDCISA-N 1 3 348.491 0.483 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1)C1CCC1 ZINC001048864499 757221995 /nfs/dbraw/zinc/22/19/95/757221995.db2.gz HTURWLKIVAUDGT-LZWOXQAQSA-N 1 3 334.464 0.140 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1)C1CCC1 ZINC001048864499 757221999 /nfs/dbraw/zinc/22/19/99/757221999.db2.gz HTURWLKIVAUDGT-LZWOXQAQSA-N 1 3 334.464 0.140 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1)C1CCC1 ZINC001048864925 757223379 /nfs/dbraw/zinc/22/33/79/757223379.db2.gz QJTXCVOISYNFKV-LZWOXQAQSA-N 1 3 334.464 0.092 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1)C1CCC1 ZINC001048864925 757223380 /nfs/dbraw/zinc/22/33/80/757223380.db2.gz QJTXCVOISYNFKV-LZWOXQAQSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001011264774 757334324 /nfs/dbraw/zinc/33/43/24/757334324.db2.gz RBFHPMDVBBSGDA-RHSMWYFYSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001011264774 757334334 /nfs/dbraw/zinc/33/43/34/757334334.db2.gz RBFHPMDVBBSGDA-RHSMWYFYSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000996315208 757349029 /nfs/dbraw/zinc/34/90/29/757349029.db2.gz QWCSJPBDLVUMMD-KDOFPFPSSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001021380870 757372255 /nfs/dbraw/zinc/37/22/55/757372255.db2.gz ZEOIEKZIAPAIPR-MGNMYUMUSA-N 1 3 346.479 0.874 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001021380870 757372265 /nfs/dbraw/zinc/37/22/65/757372265.db2.gz ZEOIEKZIAPAIPR-MGNMYUMUSA-N 1 3 346.479 0.874 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2C1 ZINC001049057959 757809378 /nfs/dbraw/zinc/80/93/78/757809378.db2.gz TVQUMYILZHHWAV-NXHRZFHOSA-N 1 3 345.491 0.837 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2C1 ZINC001049057959 757809392 /nfs/dbraw/zinc/80/93/92/757809392.db2.gz TVQUMYILZHHWAV-NXHRZFHOSA-N 1 3 345.491 0.837 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049097230 757950632 /nfs/dbraw/zinc/95/06/32/757950632.db2.gz IOXLEXZTZZBHHK-YYIAUSFCSA-N 1 3 348.491 0.528 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049097230 757950635 /nfs/dbraw/zinc/95/06/35/757950635.db2.gz IOXLEXZTZZBHHK-YYIAUSFCSA-N 1 3 348.491 0.528 20 0 ECADHO CC1CC(C[NH+]2CC(n3cc(CNC(=O)CN4CCCC4)nn3)C2)C1 ZINC001107235727 758023429 /nfs/dbraw/zinc/02/34/29/758023429.db2.gz KLVCYSIYQCPHRP-UHFFFAOYSA-N 1 3 346.479 0.893 20 0 ECADHO CN(CC(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1)C1CCC1 ZINC001051654329 762601464 /nfs/dbraw/zinc/60/14/64/762601464.db2.gz LJPLQPZGSJELMI-QGZVFWFLSA-N 1 3 332.448 0.883 20 0 ECADHO Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000996624553 758244051 /nfs/dbraw/zinc/24/40/51/758244051.db2.gz YPAUEARVIIMAPW-DOTOQJQBSA-N 1 3 347.463 0.364 20 0 ECADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)n1 ZINC000996623170 758268204 /nfs/dbraw/zinc/26/82/04/758268204.db2.gz VFYAMGDQZUAZJR-IAGOWNOFSA-N 1 3 347.463 0.364 20 0 ECADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)n1 ZINC000996623170 758268211 /nfs/dbraw/zinc/26/82/11/758268211.db2.gz VFYAMGDQZUAZJR-IAGOWNOFSA-N 1 3 347.463 0.364 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022118904 758300172 /nfs/dbraw/zinc/30/01/72/758300172.db2.gz AFIOYIVNWLRVQY-QKPAOTATSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022118904 758300179 /nfs/dbraw/zinc/30/01/79/758300179.db2.gz AFIOYIVNWLRVQY-QKPAOTATSA-N 1 3 334.420 0.583 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001077150316 758348297 /nfs/dbraw/zinc/34/82/97/758348297.db2.gz SXZGYGSOZTUXOX-RRFJBIMHSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001077150316 758348307 /nfs/dbraw/zinc/34/83/07/758348307.db2.gz SXZGYGSOZTUXOX-RRFJBIMHSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@H]2C1 ZINC001049231660 758391108 /nfs/dbraw/zinc/39/11/08/758391108.db2.gz IJDUAXBBEYNADW-FPCVCCKLSA-N 1 3 336.480 0.338 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001022278425 758516898 /nfs/dbraw/zinc/51/68/98/758516898.db2.gz NMHVPRDAFYZCHN-FQLMCAECSA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001022278425 758516903 /nfs/dbraw/zinc/51/69/03/758516903.db2.gz NMHVPRDAFYZCHN-FQLMCAECSA-N 1 3 332.452 0.569 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cncc(OC)n2)CC1)N(C)C ZINC000996712561 758565357 /nfs/dbraw/zinc/56/53/57/758565357.db2.gz QMNXPYACJFOIAK-OAHLLOKOSA-N 1 3 335.452 0.906 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671241 762654973 /nfs/dbraw/zinc/65/49/73/762654973.db2.gz FNWATQKLDGJJDX-KBPBESRZSA-N 1 3 335.452 0.647 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671241 762654975 /nfs/dbraw/zinc/65/49/75/762654975.db2.gz FNWATQKLDGJJDX-KBPBESRZSA-N 1 3 335.452 0.647 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cscn3)C2)C1 ZINC001022592916 758925375 /nfs/dbraw/zinc/92/53/75/758925375.db2.gz DPKKYTOCRASIMW-VNHYZAJKSA-N 1 3 338.477 0.989 20 0 ECADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1)N(C)C ZINC001051680749 762672836 /nfs/dbraw/zinc/67/28/36/762672836.db2.gz QVORELWHTBGHAT-HZPDHXFCSA-N 1 3 327.469 0.570 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCN2CCCC2=O)C1 ZINC001049898240 759373848 /nfs/dbraw/zinc/37/38/48/759373848.db2.gz YBJIRUWZPLUQAI-GVDBMIGSSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCN2CCCC2=O)C1 ZINC001049898240 759373859 /nfs/dbraw/zinc/37/38/59/759373859.db2.gz YBJIRUWZPLUQAI-GVDBMIGSSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001107042430 759502826 /nfs/dbraw/zinc/50/28/26/759502826.db2.gz MJXZKZHQEIVSIN-GDBMZVCRSA-N 1 3 338.496 0.537 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975998 759761819 /nfs/dbraw/zinc/76/18/19/759761819.db2.gz QDICJOXJGCHVTN-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC001050139416 759785877 /nfs/dbraw/zinc/78/58/77/759785877.db2.gz AJYIDFKZQGHXHR-IXDOHACOSA-N 1 3 346.479 0.543 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC001050139416 759785881 /nfs/dbraw/zinc/78/58/81/759785881.db2.gz AJYIDFKZQGHXHR-IXDOHACOSA-N 1 3 346.479 0.543 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048007444 759816145 /nfs/dbraw/zinc/81/61/45/759816145.db2.gz 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ZINC001018634517 769686514 /nfs/dbraw/zinc/68/65/14/769686514.db2.gz INXOGYKILWVUPB-UONOGXRCSA-N 1 3 349.483 0.255 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000993882294 769780189 /nfs/dbraw/zinc/78/01/89/769780189.db2.gz CDSXVQVBDSZZEQ-BMFZPTHFSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000993882294 769780199 /nfs/dbraw/zinc/78/01/99/769780199.db2.gz CDSXVQVBDSZZEQ-BMFZPTHFSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000993871004 769822933 /nfs/dbraw/zinc/82/29/33/769822933.db2.gz VERWCWHGDKCTBO-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000993871004 769822944 /nfs/dbraw/zinc/82/29/44/769822944.db2.gz VERWCWHGDKCTBO-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](CN[C@@H](C)c2nncn2C)[C@H](C)C1 ZINC001106839781 770029488 /nfs/dbraw/zinc/02/94/88/770029488.db2.gz OFEGGDVSMDUMII-QLFBSQMISA-N 1 3 336.484 0.902 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](CN[C@@H](C)c2nncn2C)[C@H](C)C1 ZINC001106839781 770029502 /nfs/dbraw/zinc/02/95/02/770029502.db2.gz OFEGGDVSMDUMII-QLFBSQMISA-N 1 3 336.484 0.902 20 0 ECADHO Cn1cc(CN[C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)cn1 ZINC001018861459 770124211 /nfs/dbraw/zinc/12/42/11/770124211.db2.gz UMPRXNFAUKCOBB-HNNXBMFYSA-N 1 3 345.451 0.183 20 0 ECADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)CN1CCOCCO ZINC001099298299 770480734 /nfs/dbraw/zinc/48/07/34/770480734.db2.gz KKKPGIJDMWIXNH-MRXNPFEDSA-N 1 3 343.512 0.944 20 0 ECADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)CN1CCOCCO ZINC001099298299 770480737 /nfs/dbraw/zinc/48/07/37/770480737.db2.gz KKKPGIJDMWIXNH-MRXNPFEDSA-N 1 3 343.512 0.944 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1)N(C)C ZINC001019032284 770608702 /nfs/dbraw/zinc/60/87/02/770608702.db2.gz OSORWNNCLRMUDX-SOUVJXGZSA-N 1 3 345.509 0.342 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001078396619 782863849 /nfs/dbraw/zinc/86/38/49/782863849.db2.gz AKEMILNJXXUFIA-BBRMVZONSA-N 1 3 326.485 0.679 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001078396619 782863853 /nfs/dbraw/zinc/86/38/53/782863853.db2.gz AKEMILNJXXUFIA-BBRMVZONSA-N 1 3 326.485 0.679 20 0 ECADHO CN(C)C1(C(=O)N2CCCO[C@H](C[NH2+]C[C@@H]3CCOC3)C2)CCC1 ZINC001078411028 782893994 /nfs/dbraw/zinc/89/39/94/782893994.db2.gz CLWPJVBGASCXAJ-JKSUJKDBSA-N 1 3 339.480 0.714 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(C)n1 ZINC001019382944 771230235 /nfs/dbraw/zinc/23/02/35/771230235.db2.gz PZYSYUDKWSYIIB-CJNGLKHVSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(C)n1 ZINC001019382944 771230237 /nfs/dbraw/zinc/23/02/37/771230237.db2.gz PZYSYUDKWSYIIB-CJNGLKHVSA-N 1 3 347.463 0.826 20 0 ECADHO CNC(=O)c1ccc(CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001127474007 771298903 /nfs/dbraw/zinc/29/89/03/771298903.db2.gz FNAIRTRDXNMUAI-QGZVFWFLSA-N 1 3 344.459 0.594 20 0 ECADHO CN1CC[C@H](N[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1=O ZINC001019520346 771403634 /nfs/dbraw/zinc/40/36/34/771403634.db2.gz YDBPJRLOGJJTRH-IRXDYDNUSA-N 1 3 344.459 0.783 20 0 ECADHO C[NH+](C)CCCC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001056712255 771542381 /nfs/dbraw/zinc/54/23/81/771542381.db2.gz SQTUSUNEDZWTSG-GOEBONIOSA-N 1 3 347.463 0.743 20 0 ECADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CCCO1 ZINC001078433110 782940251 /nfs/dbraw/zinc/94/02/51/782940251.db2.gz SRVYRKDKLSTNSH-NDUQDZPOSA-N 1 3 337.464 0.465 20 0 ECADHO CC1CCN(C(=O)C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001019775156 771783552 /nfs/dbraw/zinc/78/35/52/771783552.db2.gz ZXHQOYFGMMHEAA-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N1CCCCC1 ZINC001019774869 771783649 /nfs/dbraw/zinc/78/36/49/771783649.db2.gz LOQACGXVBQBNIE-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001019810966 771825872 /nfs/dbraw/zinc/82/58/72/771825872.db2.gz TUHNPGROUJTJDE-JKSUJKDBSA-N 1 3 332.448 0.816 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@H]1CCCN1C ZINC001020124019 772187502 /nfs/dbraw/zinc/18/75/02/772187502.db2.gz USVMJNLVIIGQPS-HRCADAONSA-N 1 3 348.491 0.815 20 0 ECADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC001020161446 772230487 /nfs/dbraw/zinc/23/04/87/772230487.db2.gz CQSYVYSUPKZUAY-BFYDXBDKSA-N 1 3 329.448 0.864 20 0 ECADHO Cc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001020178980 772250037 /nfs/dbraw/zinc/25/00/37/772250037.db2.gz KKDONAHJHFDVRD-BRSBDYLESA-N 1 3 344.459 0.990 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001020299408 772415337 /nfs/dbraw/zinc/41/53/37/772415337.db2.gz MCPFVZMQCRZURX-BARDWOONSA-N 1 3 347.463 0.706 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001020299408 772415340 /nfs/dbraw/zinc/41/53/40/772415340.db2.gz MCPFVZMQCRZURX-BARDWOONSA-N 1 3 347.463 0.706 20 0 ECADHO Cn1cnc2cc(C(=O)N[C@H]3C[C@H]([NH2+][C@H]4CCCNC4=O)C3)ccc21 ZINC001020316780 772437724 /nfs/dbraw/zinc/43/77/24/772437724.db2.gz SBONROLAGDXIBE-IHRRRGAJSA-N 1 3 341.415 0.702 20 0 ECADHO Cn1cnc2cc(C(=O)N[C@@H]3C[C@@H]([NH2+]Cc4cnnn4C)C3)ccc21 ZINC001020316563 772437786 /nfs/dbraw/zinc/43/77/86/772437786.db2.gz OYCGUOAAISMUIL-JOCQHMNTSA-N 1 3 339.403 0.752 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001079816726 776931139 /nfs/dbraw/zinc/93/11/39/776931139.db2.gz QBCWCNFITLFNBF-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)C(C)(C)[N@H+](C)CC)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001079996261 777205685 /nfs/dbraw/zinc/20/56/85/777205685.db2.gz HXIUUENJNWKOKS-OAHLLOKOSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001079996261 777205693 /nfs/dbraw/zinc/20/56/93/777205693.db2.gz HXIUUENJNWKOKS-OAHLLOKOSA-N 1 3 338.496 0.870 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001080028109 777259336 /nfs/dbraw/zinc/25/93/36/777259336.db2.gz OPQXKIOXRPZIGX-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001080147806 777465837 /nfs/dbraw/zinc/46/58/37/777465837.db2.gz MTSFSKNQMSNXGP-ZBFHGGJFSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001080147806 777465847 /nfs/dbraw/zinc/46/58/47/777465847.db2.gz MTSFSKNQMSNXGP-ZBFHGGJFSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001080384123 777777274 /nfs/dbraw/zinc/77/72/74/777777274.db2.gz LHEYBJVIXPVODP-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001080442336 777862952 /nfs/dbraw/zinc/86/29/52/777862952.db2.gz WWYDHCAZTFIMAX-INIZCTEOSA-N 1 3 326.485 0.584 20 0 ECADHO CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080559683 778036857 /nfs/dbraw/zinc/03/68/57/778036857.db2.gz LMZCBJWNTNWGTO-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080559683 778036868 /nfs/dbraw/zinc/03/68/68/778036868.db2.gz LMZCBJWNTNWGTO-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N(C)CC(=O)NC1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001070144159 790742933 /nfs/dbraw/zinc/74/29/33/790742933.db2.gz WHBRPHSNMWKRIR-UHFFFAOYSA-N 1 3 342.484 0.060 20 0 ECADHO Cn1nncc1CN[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078718059 780394039 /nfs/dbraw/zinc/39/40/39/780394039.db2.gz KKVVMRGINDINQN-HZPDHXFCSA-N 1 3 346.479 0.674 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001077656142 781437776 /nfs/dbraw/zinc/43/77/76/781437776.db2.gz YHILOTVDRUTTSY-RRFJBIMHSA-N 1 3 328.501 0.924 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001077678622 781490569 /nfs/dbraw/zinc/49/05/69/781490569.db2.gz PUFCXOBKYDWVAR-IACUBPJLSA-N 1 3 335.452 0.612 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001077678622 781490575 /nfs/dbraw/zinc/49/05/75/781490575.db2.gz PUFCXOBKYDWVAR-IACUBPJLSA-N 1 3 335.452 0.612 20 0 ECADHO CN1CC[C@@H](N2CC[C@@]3(CCN(C(=O)C4CC[NH+](C)CC4)C3)C2)C1=O ZINC001041626505 781880384 /nfs/dbraw/zinc/88/03/84/781880384.db2.gz UYKOKCWEKKBZKO-VQIMIIECSA-N 1 3 348.491 0.483 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@]3(CCN([C@H]4CCCNC4=O)C3)C2)CC1 ZINC001041633043 781896292 /nfs/dbraw/zinc/89/62/92/781896292.db2.gz OVMVMSFLOGIROM-QFBILLFUSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001070217614 783679194 /nfs/dbraw/zinc/67/91/94/783679194.db2.gz KZVZRWZPOGKFEP-OAGGEKHMSA-N 1 3 334.468 0.760 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001070275327 783780632 /nfs/dbraw/zinc/78/06/32/783780632.db2.gz GRJABLANULRKJQ-UAGQMJEPSA-N 1 3 346.479 0.762 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CCO)C2)CC[N@@H+]1C ZINC001070411439 784001741 /nfs/dbraw/zinc/00/17/41/784001741.db2.gz OJMITNGUGGVDQT-UMVBOHGHSA-N 1 3 335.452 0.148 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CCO)C2)CC[N@H+]1C ZINC001070411439 784001751 /nfs/dbraw/zinc/00/17/51/784001751.db2.gz OJMITNGUGGVDQT-UMVBOHGHSA-N 1 3 335.452 0.148 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001071015108 784419420 /nfs/dbraw/zinc/41/94/20/784419420.db2.gz QMVGVPSJODPTED-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001071015108 784419429 /nfs/dbraw/zinc/41/94/29/784419429.db2.gz QMVGVPSJODPTED-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC1CC1 ZINC001070629837 784461371 /nfs/dbraw/zinc/46/13/71/784461371.db2.gz TUUUIQQJUQCTKT-OAGGEKHMSA-N 1 3 331.464 0.808 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]2(CC[N@H+](CCCO)C2)O1 ZINC001071175569 784663839 /nfs/dbraw/zinc/66/38/39/784663839.db2.gz GWGVSIRNFDMXRE-WBVHZDCISA-N 1 3 339.480 0.545 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071175569 784663843 /nfs/dbraw/zinc/66/38/43/784663843.db2.gz GWGVSIRNFDMXRE-WBVHZDCISA-N 1 3 339.480 0.545 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001071343856 784984697 /nfs/dbraw/zinc/98/46/97/784984697.db2.gz JNJVXNYXLKUWRR-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001072285885 785976338 /nfs/dbraw/zinc/97/63/38/785976338.db2.gz BZHHHWAKQKDOPV-CABCVRRESA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072287085 785981790 /nfs/dbraw/zinc/98/17/90/785981790.db2.gz RPQQDTQGSQJBND-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001072287689 785984996 /nfs/dbraw/zinc/98/49/96/785984996.db2.gz ZTGNGBLYFHVBCY-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001072287689 785985003 /nfs/dbraw/zinc/98/50/03/785985003.db2.gz ZTGNGBLYFHVBCY-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001072299887 786008268 /nfs/dbraw/zinc/00/82/68/786008268.db2.gz HDUXYVIINCZKAD-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001072316407 786029866 /nfs/dbraw/zinc/02/98/66/786029866.db2.gz BUNPBKFBGTWOFN-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001072316407 786029870 /nfs/dbraw/zinc/02/98/70/786029870.db2.gz BUNPBKFBGTWOFN-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNCc1nncn1C ZINC001072356767 786073059 /nfs/dbraw/zinc/07/30/59/786073059.db2.gz PATZSWASFKYAGM-HOCLYGCPSA-N 1 3 348.495 0.731 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073632053 786821395 /nfs/dbraw/zinc/82/13/95/786821395.db2.gz WVQAJLMQRAXGLL-IRXDYDNUSA-N 1 3 341.496 0.554 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073632053 786821409 /nfs/dbraw/zinc/82/14/09/786821409.db2.gz WVQAJLMQRAXGLL-IRXDYDNUSA-N 1 3 341.496 0.554 20 0 ECADHO Cn1cc(CCN2CCCO[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001073892246 787455303 /nfs/dbraw/zinc/45/53/03/787455303.db2.gz ZDXULBGWOULIOM-IRXDYDNUSA-N 1 3 349.479 0.121 20 0 ECADHO Cn1cc(CCN2CCCO[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001073892246 787455313 /nfs/dbraw/zinc/45/53/13/787455313.db2.gz ZDXULBGWOULIOM-IRXDYDNUSA-N 1 3 349.479 0.121 20 0 ECADHO Cn1cc(CCN2CCCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001073892245 787455616 /nfs/dbraw/zinc/45/56/16/787455616.db2.gz ZDXULBGWOULIOM-IAGOWNOFSA-N 1 3 349.479 0.121 20 0 ECADHO Cn1cc(CCN2CCCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001073892245 787455619 /nfs/dbraw/zinc/45/56/19/787455619.db2.gz ZDXULBGWOULIOM-IAGOWNOFSA-N 1 3 349.479 0.121 20 0 ECADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCCO2)c1 ZINC001073899234 787474162 /nfs/dbraw/zinc/47/41/62/787474162.db2.gz OFQQPQUHGSGMJS-GOSISDBHSA-N 1 3 349.475 0.951 20 0 ECADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)c1 ZINC001073899234 787474165 /nfs/dbraw/zinc/47/41/65/787474165.db2.gz OFQQPQUHGSGMJS-GOSISDBHSA-N 1 3 349.475 0.951 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C ZINC001074648853 787504087 /nfs/dbraw/zinc/50/40/87/787504087.db2.gz JTNKFSADDLIZKO-CWRNSKLLSA-N 1 3 334.468 0.767 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C ZINC001074648853 787504094 /nfs/dbraw/zinc/50/40/94/787504094.db2.gz JTNKFSADDLIZKO-CWRNSKLLSA-N 1 3 334.468 0.767 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001072624456 788456700 /nfs/dbraw/zinc/45/67/00/788456700.db2.gz OJJCOGITNGMCRT-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001075030860 788754286 /nfs/dbraw/zinc/75/42/86/788754286.db2.gz RXTZEMFNNZTRCN-RRQGHBQHSA-N 1 3 348.491 0.576 20 0 ECADHO Cc1nc([C@@H](C)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)n[nH]1 ZINC001075044447 788789739 /nfs/dbraw/zinc/78/97/39/788789739.db2.gz LOPCNRNFBGSAHY-DYEKYZERSA-N 1 3 332.452 0.849 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)c(C)n1 ZINC001075107351 788915328 /nfs/dbraw/zinc/91/53/28/788915328.db2.gz YUZRPNVTLLJUMD-LZWOXQAQSA-N 1 3 347.463 0.824 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)c(C)n1 ZINC001075107351 788915336 /nfs/dbraw/zinc/91/53/36/788915336.db2.gz YUZRPNVTLLJUMD-LZWOXQAQSA-N 1 3 347.463 0.824 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCn1nc(C)nc1C)C2)N(C)C ZINC001072849967 788956108 /nfs/dbraw/zinc/95/61/08/788956108.db2.gz OVODTMGYBORZGH-MRXNPFEDSA-N 1 3 348.495 0.769 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCn1nc(C)nc1C)C2)N(C)C ZINC001072849967 788956113 /nfs/dbraw/zinc/95/61/13/788956113.db2.gz OVODTMGYBORZGH-MRXNPFEDSA-N 1 3 348.495 0.769 20 0 ECADHO O=C(N1CC2(C1)CCN(CCn1cncn1)C2)C12CCC[NH+]1CCC2 ZINC001072896553 789058169 /nfs/dbraw/zinc/05/81/69/789058169.db2.gz UNGGOIJNTMQROI-UHFFFAOYSA-N 1 3 344.463 0.441 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCCN(C)C2=O)C3)C1 ZINC001072983434 789217922 /nfs/dbraw/zinc/21/79/22/789217922.db2.gz WFVLHKXQCLTQEA-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCCN(C)C2=O)C3)C1 ZINC001072983434 789217926 /nfs/dbraw/zinc/21/79/26/789217926.db2.gz WFVLHKXQCLTQEA-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2OCCC[C@@H]2[NH2+]CCO)CC1 ZINC001075415939 789344835 /nfs/dbraw/zinc/34/48/35/789344835.db2.gz QTBPREKYZWMVAE-RDJZCZTQSA-N 1 3 336.436 0.320 20 0 ECADHO CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3cnccc3N(C)C)C2)C1 ZINC001073131928 789499618 /nfs/dbraw/zinc/49/96/18/789499618.db2.gz XBWQFJWJCLSOQL-UHFFFAOYSA-N 1 3 345.447 0.384 20 0 ECADHO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)c3cnccc3N(C)C)C2)C1 ZINC001073131928 789499620 /nfs/dbraw/zinc/49/96/20/789499620.db2.gz XBWQFJWJCLSOQL-UHFFFAOYSA-N 1 3 345.447 0.384 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCc2cccc(N3CC[C@@H](NCCF)C3)n2)C1 ZINC001069841075 790075859 /nfs/dbraw/zinc/07/58/59/790075859.db2.gz ZVDJKFROSKRWJL-GDBMZVCRSA-N 1 3 349.454 0.787 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCc2cccc(N3CC[C@@H](NCCF)C3)n2)C1 ZINC001069841075 790075865 /nfs/dbraw/zinc/07/58/65/790075865.db2.gz ZVDJKFROSKRWJL-GDBMZVCRSA-N 1 3 349.454 0.787 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CCNCc1cccc(C(N)=O)c1)[NH+](C)C ZINC001267459271 837447556 /nfs/dbraw/zinc/44/75/56/837447556.db2.gz QBBWWOCVHYDAOF-MRXNPFEDSA-N 1 3 334.464 0.920 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001266881574 836429970 /nfs/dbraw/zinc/42/99/70/836429970.db2.gz YENLDRFURIFDLB-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)(C(=O)NC1CCC([NH2+]CCOCCO)CC1)N1CCCC1 ZINC001266912757 836471556 /nfs/dbraw/zinc/47/15/56/836471556.db2.gz SVEUSKLKIPKDLH-UHFFFAOYSA-N 1 3 341.496 0.887 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCNC(=O)NC(C)C)C1)N(C)C ZINC001267019444 836636257 /nfs/dbraw/zinc/63/62/57/836636257.db2.gz RTWDZXBSFHCWBT-KBPBESRZSA-N 1 3 327.473 0.225 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001408595439 837149983 /nfs/dbraw/zinc/14/99/83/837149983.db2.gz XYTALHCEZYFOKD-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001408595439 837149991 /nfs/dbraw/zinc/14/99/91/837149991.db2.gz XYTALHCEZYFOKD-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)C(=O)CN(C)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001267604633 837936854 /nfs/dbraw/zinc/93/68/54/837936854.db2.gz ZAKHIPANXKQNOL-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001408693798 838008907 /nfs/dbraw/zinc/00/89/07/838008907.db2.gz PDEHTHNYEZLCGQ-GDBMZVCRSA-N 1 3 336.480 0.245 20 0 ECADHO CCOCCCN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267750945 838473220 /nfs/dbraw/zinc/47/32/20/838473220.db2.gz KEHQLPAPCQTCJA-OAHLLOKOSA-N 1 3 327.469 0.714 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@](C)(CNCCS(C)(=O)=O)C2CC2)CC1 ZINC001267857641 838656020 /nfs/dbraw/zinc/65/60/20/838656020.db2.gz DRNCTPKVUIBMFC-INIZCTEOSA-N 1 3 345.509 0.247 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000420101447 282252300 /nfs/dbraw/zinc/25/23/00/282252300.db2.gz MEBVXMLYIPFEBU-INIZCTEOSA-N 1 3 330.432 0.459 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2O)C1 ZINC000426213197 210137796 /nfs/dbraw/zinc/13/77/96/210137796.db2.gz BQHOKQIJRBCOTL-GVDBMIGSSA-N 1 3 341.496 0.695 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2O)C1 ZINC000426213197 210137802 /nfs/dbraw/zinc/13/78/02/210137802.db2.gz BQHOKQIJRBCOTL-GVDBMIGSSA-N 1 3 341.496 0.695 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000423488401 209753261 /nfs/dbraw/zinc/75/32/61/209753261.db2.gz YUCKJQBFTCYIOP-HNNXBMFYSA-N 1 3 348.447 0.145 20 0 ECADHO COC[C@H](CCC[NH3+])NCCNS(=O)(=O)c1ccc(C)s1 ZINC000422990886 209685819 /nfs/dbraw/zinc/68/58/19/209685819.db2.gz AHFWLGAWEVIVBG-LBPRGKRZSA-N 1 3 335.495 0.678 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000355274851 299229269 /nfs/dbraw/zinc/22/92/69/299229269.db2.gz DWUYXHQTXNXFMU-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC000355591149 299278279 /nfs/dbraw/zinc/27/82/79/299278279.db2.gz WXGXZIFYEUTAMW-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC000355591149 299278281 /nfs/dbraw/zinc/27/82/81/299278281.db2.gz WXGXZIFYEUTAMW-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC000355591149 299278284 /nfs/dbraw/zinc/27/82/84/299278284.db2.gz WXGXZIFYEUTAMW-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC000355591149 299278287 /nfs/dbraw/zinc/27/82/87/299278287.db2.gz WXGXZIFYEUTAMW-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000420324118 209353553 /nfs/dbraw/zinc/35/35/53/209353553.db2.gz ZDXBNJLYYNHTOP-OKZBNKHCSA-N 1 3 330.476 0.947 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000418997140 296024417 /nfs/dbraw/zinc/02/44/17/296024417.db2.gz OGWCDIOTSGVAGT-RHSMWYFYSA-N 1 3 346.475 0.950 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420000868 209273082 /nfs/dbraw/zinc/27/30/82/209273082.db2.gz OXSUDZNWGORVFU-CQSZACIVSA-N 1 3 336.436 0.428 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000419973852 209265943 /nfs/dbraw/zinc/26/59/43/209265943.db2.gz HHZYAWBRXMSCED-QLFBSQMISA-N 1 3 326.485 0.713 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000419952662 209258723 /nfs/dbraw/zinc/25/87/23/209258723.db2.gz OWSGSMRXBBLKBI-CYBMUJFWSA-N 1 3 340.493 0.610 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419940164 209253837 /nfs/dbraw/zinc/25/38/37/209253837.db2.gz TYRAPTFKJMAHHV-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419894310 209240832 /nfs/dbraw/zinc/24/08/32/209240832.db2.gz OTWQGWCODFXVOV-WCVJEAGWSA-N 1 3 338.496 0.727 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCC[NH3+])c1 ZINC000419838461 209219737 /nfs/dbraw/zinc/21/97/37/209219737.db2.gz ORNXBWQECNVGLM-UHFFFAOYSA-N 1 3 336.436 0.050 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000419832102 209216795 /nfs/dbraw/zinc/21/67/95/209216795.db2.gz RMQDTUWSVHSZEY-HOCLYGCPSA-N 1 3 332.448 0.651 20 0 ECADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000419764426 209199805 /nfs/dbraw/zinc/19/98/05/209199805.db2.gz PIBFLWRGDMSONZ-IAGOWNOFSA-N 1 3 344.459 0.491 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000419756959 209198280 /nfs/dbraw/zinc/19/82/80/209198280.db2.gz BVACBSZZOCTVJF-RHSMWYFYSA-N 1 3 346.475 0.867 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)NCCNc2ccncc2)CC1 ZINC000356281813 299373854 /nfs/dbraw/zinc/37/38/54/299373854.db2.gz NCCFWHGDNLXFIV-UHFFFAOYSA-N 1 3 335.452 0.716 20 0 ECADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419722538 209188540 /nfs/dbraw/zinc/18/85/40/209188540.db2.gz DQUIDNQIVOXSMN-ZBFHGGJFSA-N 1 3 344.459 0.888 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000419698940 209175729 /nfs/dbraw/zinc/17/57/29/209175729.db2.gz QFULVOLTAVOJSQ-OAGGEKHMSA-N 1 3 338.496 0.870 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419654477 209158460 /nfs/dbraw/zinc/15/84/60/209158460.db2.gz GNLDVVNPRVEDMT-RDJZCZTQSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000419654302 209158484 /nfs/dbraw/zinc/15/84/84/209158484.db2.gz ZRIWQOWSISQQNN-PBHICJAKSA-N 1 3 346.475 0.950 20 0 ECADHO C[C@H](NC(C)(C)CNC(=O)C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000419656538 209159727 /nfs/dbraw/zinc/15/97/27/209159727.db2.gz UZMVPAMOARZRNB-ZDUSSCGKSA-N 1 3 332.448 0.568 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419589832 209132970 /nfs/dbraw/zinc/13/29/70/209132970.db2.gz SODPUPLSLXYTIO-IUODEOHRSA-N 1 3 330.498 0.174 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)N(C)C1CC1 ZINC000419580473 209132180 /nfs/dbraw/zinc/13/21/80/209132180.db2.gz HPXYUDGFWQCULD-CYBMUJFWSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)N(C)C1CC1 ZINC000419577902 209131779 /nfs/dbraw/zinc/13/17/79/209131779.db2.gz DIHCBUULWHLPOO-GFCCVEGCSA-N 1 3 330.432 0.505 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)N(C)C1CC1 ZINC000419575171 209130604 /nfs/dbraw/zinc/13/06/04/209130604.db2.gz AEQLYUJITQDIDQ-OAHLLOKOSA-N 1 3 346.475 0.963 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000419501782 209110434 /nfs/dbraw/zinc/11/04/34/209110434.db2.gz BWVGZLXMQASBBJ-NRXISQOPSA-N 1 3 326.485 0.857 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000418920243 284703014 /nfs/dbraw/zinc/70/30/14/284703014.db2.gz BIUFVBVHMAASGT-YNEHKIRRSA-N 1 3 328.457 0.062 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CC1 ZINC000444381842 211074023 /nfs/dbraw/zinc/07/40/23/211074023.db2.gz CXAHDQBWTNFFBQ-INIZCTEOSA-N 1 3 340.512 0.318 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424151739 285028485 /nfs/dbraw/zinc/02/84/85/285028485.db2.gz HVSVMHHUNZEHSO-ZIAGYGMSSA-N 1 3 336.440 0.043 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)[C@@H]1CN ZINC000423733469 296363154 /nfs/dbraw/zinc/36/31/54/296363154.db2.gz NQYNYXNZJGFNDY-GDBMZVCRSA-N 1 3 338.496 0.763 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000411775165 208144369 /nfs/dbraw/zinc/14/43/69/208144369.db2.gz XELAFCSBONIBQT-MSOLQXFVSA-N 1 3 339.480 0.497 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CNC(C)(C)CN2CCOCC2)CC1 ZINC000412003571 208185425 /nfs/dbraw/zinc/18/54/25/208185425.db2.gz QFXFWGXSNMAIMW-UHFFFAOYSA-N 1 3 340.512 0.676 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000420420905 209364067 /nfs/dbraw/zinc/36/40/67/209364067.db2.gz KLDHACUIXGRFTF-GFCCVEGCSA-N 1 3 345.513 0.857 20 0 ECADHO CSCC[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566206060 322512942 /nfs/dbraw/zinc/51/29/42/322512942.db2.gz MONGYGAKGRHQMU-NXEZZACHSA-N 1 3 328.404 0.019 20 0 ECADHO NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@H](C[NH3+])C2)c1 ZINC000430603248 210386171 /nfs/dbraw/zinc/38/61/71/210386171.db2.gz JLSGGAATTKXERV-GFCCVEGCSA-N 1 3 340.449 0.333 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000430593326 210385050 /nfs/dbraw/zinc/38/50/50/210385050.db2.gz IRNMHPKTQGNWMX-INIZCTEOSA-N 1 3 348.495 0.821 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419473344 209103494 /nfs/dbraw/zinc/10/34/94/209103494.db2.gz AJBMHSNJGABGER-HOTGVXAUSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419473344 209103497 /nfs/dbraw/zinc/10/34/97/209103497.db2.gz AJBMHSNJGABGER-HOTGVXAUSA-N 1 3 338.496 0.955 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000422308493 285195343 /nfs/dbraw/zinc/19/53/43/285195343.db2.gz QHCCNTGEPZJEAA-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000422308493 285195345 /nfs/dbraw/zinc/19/53/45/285195345.db2.gz QHCCNTGEPZJEAA-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419022836 208949417 /nfs/dbraw/zinc/94/94/17/208949417.db2.gz IULHTINRMCQRJO-RBSFLKMASA-N 1 3 338.496 0.666 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH2+]CC ZINC000419148413 209001428 /nfs/dbraw/zinc/00/14/28/209001428.db2.gz DEFDEXUXZNKGII-CABCVRRESA-N 1 3 326.485 0.871 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000419156618 209003822 /nfs/dbraw/zinc/00/38/22/209003822.db2.gz TVJVRUGUXQZCFV-HZPDHXFCSA-N 1 3 340.512 0.960 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000419156618 209003825 /nfs/dbraw/zinc/00/38/25/209003825.db2.gz TVJVRUGUXQZCFV-HZPDHXFCSA-N 1 3 340.512 0.960 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419159230 209005041 /nfs/dbraw/zinc/00/50/41/209005041.db2.gz ZANCOFBGYUCCGW-UHFFFAOYSA-N 1 3 348.447 0.241 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419431688 209093676 /nfs/dbraw/zinc/09/36/76/209093676.db2.gz XPYHVNWNAIVXRJ-OWCLPIDISA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419431688 209093679 /nfs/dbraw/zinc/09/36/79/209093679.db2.gz XPYHVNWNAIVXRJ-OWCLPIDISA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419434005 209093587 /nfs/dbraw/zinc/09/35/87/209093587.db2.gz ZZSCLALWKFIUID-AWEZNQCLSA-N 1 3 332.448 0.405 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000419160985 209006571 /nfs/dbraw/zinc/00/65/71/209006571.db2.gz RBAPHBSJCFXYHM-HZPDHXFCSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419429488 209092005 /nfs/dbraw/zinc/09/20/05/209092005.db2.gz UVKPCMURHMZNPI-HUUCEWRRSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000419172053 209012418 /nfs/dbraw/zinc/01/24/18/209012418.db2.gz QJLLQDOGSPVXLS-GDBMZVCRSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000419172053 209012422 /nfs/dbraw/zinc/01/24/22/209012422.db2.gz QJLLQDOGSPVXLS-GDBMZVCRSA-N 1 3 338.496 0.857 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCCNCC2)c1 ZINC000419197663 209020832 /nfs/dbraw/zinc/02/08/32/209020832.db2.gz BUVQPDMLTCESGT-UHFFFAOYSA-N 1 3 348.447 0.065 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419227518 209033498 /nfs/dbraw/zinc/03/34/98/209033498.db2.gz KQMZYBPQGWXVLS-HLLBOEOZSA-N 1 3 346.475 0.724 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419231174 209034808 /nfs/dbraw/zinc/03/48/08/209034808.db2.gz RHSIPZOVKXPMHI-ZBFHGGJFSA-N 1 3 332.448 0.349 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419231171 209035550 /nfs/dbraw/zinc/03/55/50/209035550.db2.gz RHSIPZOVKXPMHI-GDBMZVCRSA-N 1 3 332.448 0.349 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000419369687 209071406 /nfs/dbraw/zinc/07/14/06/209071406.db2.gz FQRRIEDXAVKQGO-INIZCTEOSA-N 1 3 344.459 0.070 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419377139 209072309 /nfs/dbraw/zinc/07/23/09/209072309.db2.gz TXGVLYGQEXCJDL-INIZCTEOSA-N 1 3 344.459 0.152 20 0 ECADHO c1ccc(-n2nnnc2CN2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000262252872 285471409 /nfs/dbraw/zinc/47/14/09/285471409.db2.gz QEKYLZHREBKZEP-UHFFFAOYSA-N 1 3 341.463 0.780 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)N1CCN(C)CC1 ZINC000333887929 297154512 /nfs/dbraw/zinc/15/45/12/297154512.db2.gz GIBAKEBJIFULOZ-OWCLPIDISA-N 1 3 325.501 0.650 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)N1CCN(C)CC1 ZINC000333887929 297154513 /nfs/dbraw/zinc/15/45/13/297154513.db2.gz GIBAKEBJIFULOZ-OWCLPIDISA-N 1 3 325.501 0.650 20 0 ECADHO COC(=O)[C@@H](O)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000191590853 165034706 /nfs/dbraw/zinc/03/47/06/165034706.db2.gz CGHHFXXEYOKJJF-KRWDZBQOSA-N 1 3 341.496 0.648 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000246434373 165135284 /nfs/dbraw/zinc/13/52/84/165135284.db2.gz BNRKLXNKOANTAF-HLLBOEOZSA-N 1 3 328.501 0.966 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000246434373 165135285 /nfs/dbraw/zinc/13/52/85/165135285.db2.gz BNRKLXNKOANTAF-HLLBOEOZSA-N 1 3 328.501 0.966 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000246449952 165135346 /nfs/dbraw/zinc/13/53/46/165135346.db2.gz XQBJQSWDUPAGHO-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000246449952 165135347 /nfs/dbraw/zinc/13/53/47/165135347.db2.gz XQBJQSWDUPAGHO-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)CSCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000247151033 165156061 /nfs/dbraw/zinc/15/60/61/165156061.db2.gz YODXXQORZBCQAN-ZIAGYGMSSA-N 1 3 342.509 0.140 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)CSCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000247151033 165156065 /nfs/dbraw/zinc/15/60/65/165156065.db2.gz YODXXQORZBCQAN-ZIAGYGMSSA-N 1 3 342.509 0.140 20 0 ECADHO CCN1CCN(CCCCNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262430350 165348239 /nfs/dbraw/zinc/34/82/39/165348239.db2.gz WJJVOJCOPBSIHI-UHFFFAOYSA-N 1 3 339.509 0.792 20 0 ECADHO CCCN(C(=O)C(=O)NCCN1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000419405575 209082685 /nfs/dbraw/zinc/08/26/85/209082685.db2.gz HWCBJWDRRXQNAQ-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000419405474 209083284 /nfs/dbraw/zinc/08/32/84/209083284.db2.gz HQGYFHBEHFRXCB-MRXNPFEDSA-N 1 3 346.475 0.822 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000419412014 209085673 /nfs/dbraw/zinc/08/56/73/209085673.db2.gz QIBGKKHRWUWUBO-BZUAXINKSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000174111842 263149422 /nfs/dbraw/zinc/14/94/22/263149422.db2.gz AQKGPWOJGXFHHQ-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO CC(C)NC(=O)NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177383024 263153714 /nfs/dbraw/zinc/15/37/14/263153714.db2.gz BOHARNWVDFMSOU-AWEZNQCLSA-N 1 3 341.500 0.567 20 0 ECADHO CCN(CCO)CCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000187337200 263160478 /nfs/dbraw/zinc/16/04/78/263160478.db2.gz XIUYGJFNICOPHI-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO CCN(CCO)CCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000187337200 263160479 /nfs/dbraw/zinc/16/04/79/263160479.db2.gz XIUYGJFNICOPHI-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H](CNC(=O)c1cncc(C(=O)NC[C@@H](C)[NH+](C)C)c1)N(C)C ZINC000298601277 265265452 /nfs/dbraw/zinc/26/54/52/265265452.db2.gz GHSLEIBOBZPQOL-CHWSQXEVSA-N 1 3 335.452 0.441 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418825718 277023236 /nfs/dbraw/zinc/02/32/36/277023236.db2.gz USKMTNABTVYHTC-LJQANCHMSA-N 1 3 346.475 0.835 20 0 ECADHO COC[C@@H](C)NC(=O)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300575 277244599 /nfs/dbraw/zinc/24/45/99/277244599.db2.gz WUHMWOMESJPBMP-CHWSQXEVSA-N 1 3 326.441 0.311 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419981240 277437068 /nfs/dbraw/zinc/43/70/68/277437068.db2.gz TUZLWKGVUYEWGS-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000340212231 437598916 /nfs/dbraw/zinc/59/89/16/437598916.db2.gz BQVGCLBOEHZEGV-OAGGEKHMSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000340212231 437598921 /nfs/dbraw/zinc/59/89/21/437598921.db2.gz BQVGCLBOEHZEGV-OAGGEKHMSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418969246 278197057 /nfs/dbraw/zinc/19/70/57/278197057.db2.gz VFJFGZKIEZDUMI-NVXWUHKLSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418620982 278248905 /nfs/dbraw/zinc/24/89/05/278248905.db2.gz RLAXKXSRVNAIRG-FUHWJXTLSA-N 1 3 345.491 0.935 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000419978631 279134828 /nfs/dbraw/zinc/13/48/28/279134828.db2.gz OLIHAWSMTZLQPT-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1=O ZINC000262702923 279306491 /nfs/dbraw/zinc/30/64/91/279306491.db2.gz BCAPZWXIYHPRAW-JJXSEGSLSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419373116 280239443 /nfs/dbraw/zinc/23/94/43/280239443.db2.gz NMQJPWIGKZGBOX-CVEARBPZSA-N 1 3 338.496 0.666 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422975991 280247567 /nfs/dbraw/zinc/24/75/67/280247567.db2.gz CMCSSFSDVUPWLK-OAHLLOKOSA-N 1 3 336.480 0.722 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC000417317388 280944664 /nfs/dbraw/zinc/94/46/64/280944664.db2.gz WNSIBZNPEJTYDN-IAGOWNOFSA-N 1 3 333.480 0.801 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000340217391 437608697 /nfs/dbraw/zinc/60/86/97/437608697.db2.gz DXDJQJVDOOTIOF-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000340217391 437608705 /nfs/dbraw/zinc/60/87/05/437608705.db2.gz DXDJQJVDOOTIOF-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459167820 289036754 /nfs/dbraw/zinc/03/67/54/289036754.db2.gz UXHLGWXFMMBABU-GDBMZVCRSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459167820 289036757 /nfs/dbraw/zinc/03/67/57/289036757.db2.gz UXHLGWXFMMBABU-GDBMZVCRSA-N 1 3 326.485 0.957 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000418987430 289224101 /nfs/dbraw/zinc/22/41/01/289224101.db2.gz PVFUVNSLQQYVOE-SJORKVTESA-N 1 3 344.459 0.432 20 0 ECADHO NC(=O)c1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261800592 295187440 /nfs/dbraw/zinc/18/74/40/295187440.db2.gz AADAODWOVGLIKR-DOTOQJQBSA-N 1 3 344.459 0.866 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCC1 ZINC000420059550 295261994 /nfs/dbraw/zinc/26/19/94/295261994.db2.gz GHMQDLYCRRYRKQ-HOTGVXAUSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CC[C@@H](N2CCCCC2)C1 ZINC000423273919 295413140 /nfs/dbraw/zinc/41/31/40/295413140.db2.gz LMAYZZQEDLMUNL-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO O=C(Nc1cnc(N2CCNCC2)nc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000333339834 297126617 /nfs/dbraw/zinc/12/66/17/297126617.db2.gz POBAVJMPYURRJU-AWEZNQCLSA-N 1 3 331.424 0.198 20 0 ECADHO O=C(Nc1cnc(N2CCNCC2)nc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000333339834 297126618 /nfs/dbraw/zinc/12/66/18/297126618.db2.gz POBAVJMPYURRJU-AWEZNQCLSA-N 1 3 331.424 0.198 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333852902 297152299 /nfs/dbraw/zinc/15/22/99/297152299.db2.gz XQMAMYRZLFRMEN-BRWVUGGUSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CCC[C@@H](C)C1 ZINC000333946773 297156668 /nfs/dbraw/zinc/15/66/68/297156668.db2.gz UZVDQFCEVGYVOO-ZACQAIPSSA-N 1 3 337.512 0.796 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000339577774 297360979 /nfs/dbraw/zinc/36/09/79/297360979.db2.gz QICMQMZURQBLCF-OAHLLOKOSA-N 1 3 326.485 0.683 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000339578204 297361406 /nfs/dbraw/zinc/36/14/06/297361406.db2.gz MLWOCFQNLTZLDZ-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)CCN(C)C1CC1)C(C)C ZINC000339613249 297363953 /nfs/dbraw/zinc/36/39/53/297363953.db2.gz LRNSRFYPXHSWSL-UHFFFAOYSA-N 1 3 326.485 0.774 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000339639892 297367968 /nfs/dbraw/zinc/36/79/68/297367968.db2.gz VZGOPLZRGJWSJS-KRWDZBQOSA-N 1 3 346.475 0.486 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339644354 297368476 /nfs/dbraw/zinc/36/84/76/297368476.db2.gz LZPRGYMTQZKXHK-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339755673 297379734 /nfs/dbraw/zinc/37/97/34/297379734.db2.gz VJGWAPGUELONSV-INIZCTEOSA-N 1 3 338.496 0.969 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000339950073 297410909 /nfs/dbraw/zinc/41/09/09/297410909.db2.gz NICGBNMQNYBMOD-KRWDZBQOSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000344495585 298029274 /nfs/dbraw/zinc/02/92/74/298029274.db2.gz YZBBIHBIQDSURT-GASCZTMLSA-N 1 3 327.469 0.748 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1COCCN1C ZINC000344630849 298047094 /nfs/dbraw/zinc/04/70/94/298047094.db2.gz YLYXOJGRZPKYBY-JKSUJKDBSA-N 1 3 326.485 0.192 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1COCCN1C ZINC000344630849 298047096 /nfs/dbraw/zinc/04/70/96/298047096.db2.gz YLYXOJGRZPKYBY-JKSUJKDBSA-N 1 3 326.485 0.192 20 0 ECADHO C[C@@H](CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[NH+]1CCCCC1 ZINC000345744035 298189175 /nfs/dbraw/zinc/18/91/75/298189175.db2.gz CFWDIUBDBFTRJC-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)N(C)C ZINC000346268744 298246701 /nfs/dbraw/zinc/24/67/01/298246701.db2.gz ULCOCWSJWMPKTG-INIZCTEOSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000346531721 298288319 /nfs/dbraw/zinc/28/83/19/298288319.db2.gz FREKLAPQELNUHQ-DVOMOZLQSA-N 1 3 334.464 0.352 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000346531721 298288322 /nfs/dbraw/zinc/28/83/22/298288322.db2.gz FREKLAPQELNUHQ-DVOMOZLQSA-N 1 3 334.464 0.352 20 0 ECADHO COc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc2c1OCCO2 ZINC000347059420 298396297 /nfs/dbraw/zinc/39/62/97/298396297.db2.gz WWBKXRKLNOKTST-CQSZACIVSA-N 1 3 349.431 0.753 20 0 ECADHO Cc1cc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)n(C2CCN(C)CC2)n1 ZINC000351559322 298787221 /nfs/dbraw/zinc/78/72/21/298787221.db2.gz ILPUZACEJGKDGQ-AWEZNQCLSA-N 1 3 348.451 0.265 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000419907529 299013097 /nfs/dbraw/zinc/01/30/97/299013097.db2.gz XOTGOJDHIHPOMG-HRCADAONSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCN(CC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000354483810 299053859 /nfs/dbraw/zinc/05/38/59/299053859.db2.gz WAKIZQMBLOEPOS-UHFFFAOYSA-N 1 3 339.528 0.156 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418581329 300000202 /nfs/dbraw/zinc/00/02/02/300000202.db2.gz UNDIQXPUXJHQHN-GJZGRUSLSA-N 1 3 339.484 0.276 20 0 ECADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccn[nH]1 ZINC000360991383 300049478 /nfs/dbraw/zinc/04/94/78/300049478.db2.gz VGFPOUGLSITPHX-QLFBSQMISA-N 1 3 335.452 0.619 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccn[nH]1 ZINC000360991383 300049481 /nfs/dbraw/zinc/04/94/81/300049481.db2.gz VGFPOUGLSITPHX-QLFBSQMISA-N 1 3 335.452 0.619 20 0 ECADHO C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184965206 300056574 /nfs/dbraw/zinc/05/65/74/300056574.db2.gz DKJPHTASQDVXNF-XIRDDKMYSA-N 1 3 346.475 0.991 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1)CN1CCN(C)CC1 ZINC000362027876 300155048 /nfs/dbraw/zinc/15/50/48/300155048.db2.gz ZLENKLSNFVRNBP-BRWVUGGUSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1)CN1CCN(C)CC1 ZINC000362027876 300155050 /nfs/dbraw/zinc/15/50/50/300155050.db2.gz ZLENKLSNFVRNBP-BRWVUGGUSA-N 1 3 337.512 0.606 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074227043 436114624 /nfs/dbraw/zinc/11/46/24/436114624.db2.gz CQBLIZZOOHVRIS-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO N=C(NO)[C@H]1CCCCN1CCCN1CCCC[C@@H]1C(=[NH2+])NO ZINC000372310688 300988567 /nfs/dbraw/zinc/98/85/67/300988567.db2.gz VPGDVCYZZLIWMO-CHWSQXEVSA-N 1 3 326.445 0.998 20 0 ECADHO C[C@H]1CN(CC2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000372882135 301033875 /nfs/dbraw/zinc/03/38/75/301033875.db2.gz BMTRKUYUAFCNBR-DARAHFNDSA-N 1 3 325.453 0.057 20 0 ECADHO NC(=O)CC[C@@H](N)C(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000373069696 301044971 /nfs/dbraw/zinc/04/49/71/301044971.db2.gz KSBSSEQSKXKMTR-QGZVFWFLSA-N 1 3 346.475 0.650 20 0 ECADHO COC(=O)[C@@H]1CC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377124095 301322929 /nfs/dbraw/zinc/32/29/29/301322929.db2.gz CPGRMRBLYHXPRD-HZPDHXFCSA-N 1 3 337.464 0.860 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000377506013 301355110 /nfs/dbraw/zinc/35/51/10/301355110.db2.gz RYXJKUPPOMQVTL-HIFRSBDPSA-N 1 3 337.464 0.990 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000377506013 301355111 /nfs/dbraw/zinc/35/51/11/301355111.db2.gz RYXJKUPPOMQVTL-HIFRSBDPSA-N 1 3 337.464 0.990 20 0 ECADHO COC(=O)CC[C@H]([NH3+])C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000377563553 301359834 /nfs/dbraw/zinc/35/98/34/301359834.db2.gz NUBZAQWHENOEOS-ZDUSSCGKSA-N 1 3 343.493 0.745 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000377608587 301364974 /nfs/dbraw/zinc/36/49/74/301364974.db2.gz SIVRHURDJZFRCR-KRWDZBQOSA-N 1 3 340.512 0.582 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000377608587 301364977 /nfs/dbraw/zinc/36/49/77/301364977.db2.gz SIVRHURDJZFRCR-KRWDZBQOSA-N 1 3 340.512 0.582 20 0 ECADHO CN(CCCN(C)[C@H]1CCN(C2CCOCC2)C1=O)CC[NH+](C)C ZINC000377608587 301364980 /nfs/dbraw/zinc/36/49/80/301364980.db2.gz SIVRHURDJZFRCR-KRWDZBQOSA-N 1 3 340.512 0.582 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000077787709 436252510 /nfs/dbraw/zinc/25/25/10/436252510.db2.gz YKKCNIAIPKTYCX-LSDHHAIUSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000077787709 436252513 /nfs/dbraw/zinc/25/25/13/436252513.db2.gz YKKCNIAIPKTYCX-LSDHHAIUSA-N 1 3 326.485 0.863 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000492917040 301514067 /nfs/dbraw/zinc/51/40/67/301514067.db2.gz CFWFWEQRIULWSK-WAYWQWQTSA-N 1 3 327.469 0.690 20 0 ECADHO CC(C)C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000081395406 436345048 /nfs/dbraw/zinc/34/50/48/436345048.db2.gz BOIYGTJMWLEXFA-HUUCEWRRSA-N 1 3 326.485 0.489 20 0 ECADHO COC[C@@]1(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC[NH2+]C1 ZINC000516180117 301658918 /nfs/dbraw/zinc/65/89/18/301658918.db2.gz ZIEVCWKIPUCSFW-FUHWJXTLSA-N 1 3 338.496 0.239 20 0 ECADHO CN(C)Cc1cc(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)ccc1F ZINC000516645528 301674363 /nfs/dbraw/zinc/67/43/63/301674363.db2.gz FIKDUUKCGDTTQV-QGZVFWFLSA-N 1 3 338.471 0.585 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000516929718 301686180 /nfs/dbraw/zinc/68/61/80/301686180.db2.gz LVOPWSQYNKSCPT-ZDUSSCGKSA-N 1 3 335.477 0.867 20 0 ECADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000519591751 301747726 /nfs/dbraw/zinc/74/77/26/301747726.db2.gz DEKWZRLTLSDZMU-ZIAGYGMSSA-N 1 3 333.436 0.920 20 0 ECADHO COC(=O)N(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050798409 436477491 /nfs/dbraw/zinc/47/74/91/436477491.db2.gz CXIJHYJREANBMA-UHFFFAOYSA-N 1 3 326.441 0.359 20 0 ECADHO CCCNC(=O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759389 436496337 /nfs/dbraw/zinc/49/63/37/436496337.db2.gz XTISHIYQUSZKSY-UHFFFAOYSA-N 1 3 339.484 0.370 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000103210882 436554011 /nfs/dbraw/zinc/55/40/11/436554011.db2.gz IKFNKBVMEPPRLP-UHFFFAOYSA-N 1 3 334.420 0.583 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000550732366 302348931 /nfs/dbraw/zinc/34/89/31/302348931.db2.gz PJQMJFAYUNJTBS-MRXNPFEDSA-N 1 3 334.464 0.426 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000237171635 436724961 /nfs/dbraw/zinc/72/49/61/436724961.db2.gz USDYCIWBYXUPNH-UHFFFAOYSA-N 1 3 346.475 0.984 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000152779614 436740382 /nfs/dbraw/zinc/74/03/82/436740382.db2.gz OBUMEAOYPPHSGM-IBGZPJMESA-N 1 3 348.491 0.628 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N(C)C2CC[NH2+]CC2)CC1=O ZINC000236838466 436718779 /nfs/dbraw/zinc/71/87/79/436718779.db2.gz MOBWPBGKUWCMKT-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC[NH+]1CCCC1)C(=O)NCCCCN1CCN(C)CC1 ZINC000154029657 436768906 /nfs/dbraw/zinc/76/89/06/436768906.db2.gz XKIFUIGZMZEVJR-UHFFFAOYSA-N 1 3 325.501 0.751 20 0 ECADHO C[C@H](C(=O)NC[C@H]1CCCO1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126458736 436788100 /nfs/dbraw/zinc/78/81/00/436788100.db2.gz XBDZAEQXXMAINK-NVXWUHKLSA-N 1 3 340.512 0.628 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000159197783 436855492 /nfs/dbraw/zinc/85/54/92/436855492.db2.gz SEZBYENISKLWLI-MRXNPFEDSA-N 1 3 327.517 0.852 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262341141 436926811 /nfs/dbraw/zinc/92/68/11/436926811.db2.gz GCJMMQMJKNTJGR-QZTJIDSGSA-N 1 3 346.475 0.163 20 0 ECADHO CC[C@]1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CCC[NH2+]1 ZINC000134610612 436901026 /nfs/dbraw/zinc/90/10/26/436901026.db2.gz REQNJWPHKHQBQG-MRXNPFEDSA-N 1 3 336.440 0.032 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262018673 436901392 /nfs/dbraw/zinc/90/13/92/436901392.db2.gz OPYNPMYKTMQGIB-XQQFMLRXSA-N 1 3 336.402 0.812 20 0 ECADHO CCN1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@H](C)C1 ZINC000168908076 436942772 /nfs/dbraw/zinc/94/27/72/436942772.db2.gz FTQUSYPYEDYGPA-MSOLQXFVSA-N 1 3 326.529 0.696 20 0 ECADHO CN1CCC[C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000299514229 437085904 /nfs/dbraw/zinc/08/59/04/437085904.db2.gz NGCJDFVGAWWMSH-QGZVFWFLSA-N 1 3 331.464 0.804 20 0 ECADHO NC[C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000261943915 303391457 /nfs/dbraw/zinc/39/14/57/303391457.db2.gz JOPKEJZVFMESHR-ZIAGYGMSSA-N 1 3 344.381 0.681 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN1C ZINC000331712853 437149945 /nfs/dbraw/zinc/14/99/45/437149945.db2.gz LTCUQUZISWUMFX-LVQVYYBASA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCN1C ZINC000331712853 437149948 /nfs/dbraw/zinc/14/99/48/437149948.db2.gz LTCUQUZISWUMFX-LVQVYYBASA-N 1 3 336.480 0.671 20 0 ECADHO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000331658121 437138145 /nfs/dbraw/zinc/13/81/45/437138145.db2.gz SZDORCAKBKZNEX-LSDHHAIUSA-N 1 3 337.468 0.206 20 0 ECADHO NS(=O)(=O)c1ccc(OCCN2CCC(CC[NH3+])CC2)cc1 ZINC000315889629 437182355 /nfs/dbraw/zinc/18/23/55/437182355.db2.gz BHIFNAOIJBAIRD-UHFFFAOYSA-N 1 3 327.450 0.774 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000331844446 437167946 /nfs/dbraw/zinc/16/79/46/437167946.db2.gz UCVCANVNCACACL-VGWMRTNUSA-N 1 3 336.480 0.513 20 0 ECADHO CC[C@H](C)[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)C(=O)OC ZINC000323869747 437225465 /nfs/dbraw/zinc/22/54/65/437225465.db2.gz LHVHGMQAEJIKBX-AYDFFVQHSA-N 1 3 325.453 0.622 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCNC[C@@](C)(F)C2)CC1 ZINC000333391480 437270070 /nfs/dbraw/zinc/27/00/70/437270070.db2.gz OWFCGTSBQRHZAK-NVXWUHKLSA-N 1 3 343.491 0.603 20 0 ECADHO CN(C[C@@H](O)C[NH+]1CCC(CCN2CCOCC2)CC1)C1CC1 ZINC000336876596 437303486 /nfs/dbraw/zinc/30/34/86/437303486.db2.gz UAGIKHFTKJCOPU-GOSISDBHSA-N 1 3 325.497 0.876 20 0 ECADHO C[N@H+](C[C@@H](O)CN1CCC(CCN2CCOCC2)CC1)C1CC1 ZINC000336876596 437303491 /nfs/dbraw/zinc/30/34/91/437303491.db2.gz UAGIKHFTKJCOPU-GOSISDBHSA-N 1 3 325.497 0.876 20 0 ECADHO C[N@@H+](C[C@@H](O)CN1CCC(CCN2CCOCC2)CC1)C1CC1 ZINC000336876596 437303496 /nfs/dbraw/zinc/30/34/96/437303496.db2.gz UAGIKHFTKJCOPU-GOSISDBHSA-N 1 3 325.497 0.876 20 0 ECADHO C[C@@H](CC(N)=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267264325 437311946 /nfs/dbraw/zinc/31/19/46/437311946.db2.gz QUWFZMRCOFXWJX-BBRMVZONSA-N 1 3 332.448 0.737 20 0 ECADHO C[C@@H](CC(N)=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267264325 437311949 /nfs/dbraw/zinc/31/19/49/437311949.db2.gz QUWFZMRCOFXWJX-BBRMVZONSA-N 1 3 332.448 0.737 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000337574605 437365791 /nfs/dbraw/zinc/36/57/91/437365791.db2.gz GWGODFGBSANEBI-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000337574605 437365796 /nfs/dbraw/zinc/36/57/96/437365796.db2.gz GWGODFGBSANEBI-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000339584896 437475634 /nfs/dbraw/zinc/47/56/34/437475634.db2.gz MNZGBPZNJRHCDU-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000339584896 437475639 /nfs/dbraw/zinc/47/56/39/437475639.db2.gz MNZGBPZNJRHCDU-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000339633023 437481590 /nfs/dbraw/zinc/48/15/90/437481590.db2.gz BZZJJQNSAKTWNL-CQSZACIVSA-N 1 3 336.480 0.742 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289992330 437454358 /nfs/dbraw/zinc/45/43/58/437454358.db2.gz RFUNMNZZFQCALD-IAGOWNOFSA-N 1 3 347.459 0.948 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289992330 437454363 /nfs/dbraw/zinc/45/43/63/437454363.db2.gz RFUNMNZZFQCALD-IAGOWNOFSA-N 1 3 347.459 0.948 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000339667132 437489191 /nfs/dbraw/zinc/48/91/91/437489191.db2.gz GTNHSYNHJCCYJB-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000339667132 437489194 /nfs/dbraw/zinc/48/91/94/437489194.db2.gz GTNHSYNHJCCYJB-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343453652 437587324 /nfs/dbraw/zinc/58/73/24/437587324.db2.gz UVYGDMCAUXRJEK-JFIYKMOQSA-N 1 3 349.523 0.891 20 0 ECADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343695755 437629795 /nfs/dbraw/zinc/62/97/95/437629795.db2.gz QRAYBASYCCEMSC-DLBZAZTESA-N 1 3 336.480 0.136 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343781979 437656733 /nfs/dbraw/zinc/65/67/33/437656733.db2.gz NGQPJDJUSGEPSO-CKEIUWERSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000343781979 437656739 /nfs/dbraw/zinc/65/67/39/437656739.db2.gz NGQPJDJUSGEPSO-CKEIUWERSA-N 1 3 348.491 0.718 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340486632 437666700 /nfs/dbraw/zinc/66/67/00/437666700.db2.gz SZBLTSNJZQRNKU-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340486632 437666706 /nfs/dbraw/zinc/66/67/06/437666706.db2.gz SZBLTSNJZQRNKU-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000343837221 437670464 /nfs/dbraw/zinc/67/04/64/437670464.db2.gz SAKSKEZMUMGZNB-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000355220989 437686757 /nfs/dbraw/zinc/68/67/57/437686757.db2.gz FWWMBFVCKIOTPC-UHFFFAOYSA-N 1 3 330.473 0.053 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000355220989 437686762 /nfs/dbraw/zinc/68/67/62/437686762.db2.gz FWWMBFVCKIOTPC-UHFFFAOYSA-N 1 3 330.473 0.053 20 0 ECADHO C[C@H]1CN(CCC(=O)N2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343924370 437698592 /nfs/dbraw/zinc/69/85/92/437698592.db2.gz NPVOVHAYSRAFPI-IRXDYDNUSA-N 1 3 338.496 0.193 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340817411 437742862 /nfs/dbraw/zinc/74/28/62/437742862.db2.gz IRAJHBCWDWRALT-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340817411 437742865 /nfs/dbraw/zinc/74/28/65/437742865.db2.gz IRAJHBCWDWRALT-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000340821391 437744213 /nfs/dbraw/zinc/74/42/13/437744213.db2.gz MJKUSYNPGXZEQT-OAHLLOKOSA-N 1 3 326.485 0.720 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000340821391 437744215 /nfs/dbraw/zinc/74/42/15/437744215.db2.gz MJKUSYNPGXZEQT-OAHLLOKOSA-N 1 3 326.485 0.720 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c(OCCN(C)C)c1 ZINC000415561943 437822307 /nfs/dbraw/zinc/82/23/07/437822307.db2.gz WUKGOPZTSZOTJV-ZDUSSCGKSA-N 1 3 336.436 0.727 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423745317 437822715 /nfs/dbraw/zinc/82/27/15/437822715.db2.gz MFBQVTRKFPXGHB-DLBZAZTESA-N 1 3 349.479 0.990 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423760161 437826364 /nfs/dbraw/zinc/82/63/64/437826364.db2.gz PTVDHYYXXFLWJB-ZFWWWQNUSA-N 1 3 325.453 0.766 20 0 ECADHO C[NH+](C)C[C@H]1CN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCO1 ZINC000423754760 437827278 /nfs/dbraw/zinc/82/72/78/437827278.db2.gz IHTKPXIPYWBVAE-HOCLYGCPSA-N 1 3 330.432 0.827 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000341030282 437779661 /nfs/dbraw/zinc/77/96/61/437779661.db2.gz NUJALNQLSDQPMW-GEEKYZPCSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000341030282 437779668 /nfs/dbraw/zinc/77/96/68/437779668.db2.gz NUJALNQLSDQPMW-GEEKYZPCSA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000370480133 437792379 /nfs/dbraw/zinc/79/23/79/437792379.db2.gz NRNIEQSOIDJECN-KRWDZBQOSA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000370480133 437792381 /nfs/dbraw/zinc/79/23/81/437792381.db2.gz NRNIEQSOIDJECN-KRWDZBQOSA-N 1 3 337.512 0.891 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000415367824 437792719 /nfs/dbraw/zinc/79/27/19/437792719.db2.gz YXQKPHNDZBCIIG-OAHLLOKOSA-N 1 3 332.448 0.940 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000415379326 437794130 /nfs/dbraw/zinc/79/41/30/437794130.db2.gz OELPUSWGVDQIEM-CQSZACIVSA-N 1 3 334.420 0.434 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415407041 437796623 /nfs/dbraw/zinc/79/66/23/437796623.db2.gz FHKAWRRERKTDLA-ZDUSSCGKSA-N 1 3 336.436 0.537 20 0 ECADHO C[NH+](C)CCn1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)n1 ZINC000364210474 437813436 /nfs/dbraw/zinc/81/34/36/437813436.db2.gz DZIVYOWMFPLCPR-SUYBPPKGSA-N 1 3 335.452 0.916 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])c2)CC1 ZINC000415511237 437814605 /nfs/dbraw/zinc/81/46/05/437814605.db2.gz NRWZWFGIRCZSNO-CQSZACIVSA-N 1 3 347.463 0.478 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1=O ZINC000423981625 437869334 /nfs/dbraw/zinc/86/93/34/437869334.db2.gz TYIHNEZXQNRFPO-XHSDSOJGSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415679835 437840172 /nfs/dbraw/zinc/84/01/72/437840172.db2.gz ZMTKVSDFJSVYAE-OKILXGFUSA-N 1 3 346.431 0.243 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000423896198 437851184 /nfs/dbraw/zinc/85/11/84/437851184.db2.gz GLSSIZFMUXBKEE-QRTARXTBSA-N 1 3 336.480 0.561 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000423896198 437851188 /nfs/dbraw/zinc/85/11/88/437851188.db2.gz GLSSIZFMUXBKEE-QRTARXTBSA-N 1 3 336.480 0.561 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415748285 437853304 /nfs/dbraw/zinc/85/33/04/437853304.db2.gz PFKJGNUMFLEIIK-HUUCEWRRSA-N 1 3 330.432 0.755 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000365126068 437863272 /nfs/dbraw/zinc/86/32/72/437863272.db2.gz RJOZPFSRYITBJX-KRWDZBQOSA-N 1 3 348.491 0.626 20 0 ECADHO [NH3+][C@H]1CCc2ncc(NC(=O)NC[C@H]3CCCN3CCCO)cc2C1 ZINC000415953279 437880036 /nfs/dbraw/zinc/88/00/36/437880036.db2.gz FJYUMJHYBQSKNB-GOEBONIOSA-N 1 3 347.463 0.866 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415957368 437883967 /nfs/dbraw/zinc/88/39/67/437883967.db2.gz UGZVEDPXHWFGIE-UHFFFAOYSA-N 1 3 349.483 0.938 20 0 ECADHO CC(C)(C)N1CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1=O ZINC000424137003 437890879 /nfs/dbraw/zinc/89/08/79/437890879.db2.gz LGWGDAMDQNFRJF-MRXNPFEDSA-N 1 3 340.512 0.366 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000357030142 437892179 /nfs/dbraw/zinc/89/21/79/437892179.db2.gz SXVSGZFAOQBJNX-UYTSQGDYSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000357030142 437892180 /nfs/dbraw/zinc/89/21/80/437892180.db2.gz SXVSGZFAOQBJNX-UYTSQGDYSA-N 1 3 336.480 0.718 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCCCCC[NH+]2CCCC2)CC1=O ZINC000357038297 437893465 /nfs/dbraw/zinc/89/34/65/437893465.db2.gz CBWOGLPSXWMAOO-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CCSC1 ZINC000424140662 437893829 /nfs/dbraw/zinc/89/38/29/437893829.db2.gz WMPIVAXITKGDMB-IUODEOHRSA-N 1 3 338.481 0.370 20 0 ECADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357087109 437911682 /nfs/dbraw/zinc/91/16/82/437911682.db2.gz WDBAANQQFSPVCP-BMFZPTHFSA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)N(C)C1CC1 ZINC000424524415 437967921 /nfs/dbraw/zinc/96/79/21/437967921.db2.gz PUTZXNJZONKMPE-KBPBESRZSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC[N@@H+]1C ZINC000347983309 437989295 /nfs/dbraw/zinc/98/92/95/437989295.db2.gz UXSZWKPVQXZSSA-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC[N@H+]1C ZINC000347983309 437989302 /nfs/dbraw/zinc/98/93/02/437989302.db2.gz UXSZWKPVQXZSSA-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO CC[NH2+]CCNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417370079 438043879 /nfs/dbraw/zinc/04/38/79/438043879.db2.gz SFCWPMBFUPNXKY-UHFFFAOYSA-N 1 3 334.468 0.502 20 0 ECADHO CC(C)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N1CCc2ccccc2C1 ZINC000357922618 438099966 /nfs/dbraw/zinc/09/99/66/438099966.db2.gz NKLKNQMVDXKGQE-KSZLIROESA-N 1 3 331.460 0.908 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417471980 438053753 /nfs/dbraw/zinc/05/37/53/438053753.db2.gz HWKPRJBVZMFIKX-INIZCTEOSA-N 1 3 349.479 0.761 20 0 ECADHO CCNc1nc(NC[C@@](C)(O)C[NH+](C)C)nc(NC(C)(C)C)n1 ZINC000342803204 438066434 /nfs/dbraw/zinc/06/64/34/438066434.db2.gz VUQAAHILGZADKE-OAHLLOKOSA-N 1 3 325.461 0.082 20 0 ECADHO COCCCN(C)CCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417754539 438076703 /nfs/dbraw/zinc/07/67/03/438076703.db2.gz PRXHUQTUTCMNPI-HOTGVXAUSA-N 1 3 326.485 0.986 20 0 ECADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000430902337 438128507 /nfs/dbraw/zinc/12/85/07/438128507.db2.gz ZAQYDPMOHXZXLR-INIZCTEOSA-N 1 3 335.448 0.869 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418381622 438137831 /nfs/dbraw/zinc/13/78/31/438137831.db2.gz MEUIITBNFDBOHP-ZACQAIPSSA-N 1 3 332.448 0.531 20 0 ECADHO O=C(CNC(=O)NC[C@H]1CCC[NH2+]1)NCCN1CCCCCC1 ZINC000418366455 438135783 /nfs/dbraw/zinc/13/57/83/438135783.db2.gz KFLFNZIBBVECMZ-CQSZACIVSA-N 1 3 325.457 0.030 20 0 ECADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@H]2CNCCO2)cc1 ZINC000431046362 438145084 /nfs/dbraw/zinc/14/50/84/438145084.db2.gz CVXMYEYHVLVQEY-HNNXBMFYSA-N 1 3 334.420 0.894 20 0 ECADHO CCN(CCO)CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418773766 438187028 /nfs/dbraw/zinc/18/70/28/438187028.db2.gz UQBJYLWNDJGKCI-UHFFFAOYSA-N 1 3 338.496 0.753 20 0 ECADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358254738 438188476 /nfs/dbraw/zinc/18/84/76/438188476.db2.gz PWZJIPJFCMIUFQ-ACJLOTCBSA-N 1 3 349.431 0.847 20 0 ECADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358254738 438188478 /nfs/dbraw/zinc/18/84/78/438188478.db2.gz PWZJIPJFCMIUFQ-ACJLOTCBSA-N 1 3 349.431 0.847 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358100097 438150850 /nfs/dbraw/zinc/15/08/50/438150850.db2.gz RYQFYZGHVICNFQ-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358100097 438150855 /nfs/dbraw/zinc/15/08/55/438150855.db2.gz RYQFYZGHVICNFQ-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(=O)NCCN(C)C ZINC000418584091 438162438 /nfs/dbraw/zinc/16/24/38/438162438.db2.gz XGNZWQAVSWIGJM-QLFBSQMISA-N 1 3 341.500 0.376 20 0 ECADHO [NH3+][C@H]1CCC[C@@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418595152 438164055 /nfs/dbraw/zinc/16/40/55/438164055.db2.gz WWGUWTLIVIBFEZ-LSDHHAIUSA-N 1 3 339.484 0.548 20 0 ECADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418678550 438174065 /nfs/dbraw/zinc/17/40/65/438174065.db2.gz VYAWWWOODAZJIC-HUUCEWRRSA-N 1 3 339.484 0.452 20 0 ECADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374605705 438218677 /nfs/dbraw/zinc/21/86/77/438218677.db2.gz SRYZPUZSRJKENE-MSOLQXFVSA-N 1 3 344.459 0.398 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000418860937 438221971 /nfs/dbraw/zinc/22/19/71/438221971.db2.gz FYGAWIZYVZONGC-GJZGRUSLSA-N 1 3 338.496 0.810 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418883111 438235437 /nfs/dbraw/zinc/23/54/37/438235437.db2.gz UPLKXVCQYMBAPP-LSDHHAIUSA-N 1 3 342.484 0.237 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000358521827 438243996 /nfs/dbraw/zinc/24/39/96/438243996.db2.gz PNQMRQJOIBVQFS-XHSDSOJGSA-N 1 3 325.501 0.604 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000350987107 438245728 /nfs/dbraw/zinc/24/57/28/438245728.db2.gz KODFITPAEAXNTO-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418811802 438197903 /nfs/dbraw/zinc/19/79/03/438197903.db2.gz IIKNCPZDLPGOCB-GOSISDBHSA-N 1 3 332.448 0.493 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358329383 438201562 /nfs/dbraw/zinc/20/15/62/438201562.db2.gz VRBQECNGTVOETK-PCKAHOCUSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418831400 438204527 /nfs/dbraw/zinc/20/45/27/438204527.db2.gz GFSQFMDUAVIWQA-IRXDYDNUSA-N 1 3 346.475 0.391 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]12 ZINC000351497092 438270699 /nfs/dbraw/zinc/27/06/99/438270699.db2.gz SPCCIBQQLOFORP-BZUAXINKSA-N 1 3 344.463 0.184 20 0 ECADHO CN(CCCNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418989193 438274731 /nfs/dbraw/zinc/27/47/31/438274731.db2.gz BTBXYFFREOLMIO-MRXNPFEDSA-N 1 3 332.448 0.432 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351518804 438277318 /nfs/dbraw/zinc/27/73/18/438277318.db2.gz MWPLWNKLHXFWET-HNNXBMFYSA-N 1 3 348.447 0.111 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419028915 438295190 /nfs/dbraw/zinc/29/51/90/438295190.db2.gz QZOOCJKMQQLHRP-BZUAXINKSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419122128 438332762 /nfs/dbraw/zinc/33/27/62/438332762.db2.gz NCMBLQYZRPQWMW-OAGGEKHMSA-N 1 3 338.496 0.810 20 0 ECADHO CN1CCN(C(=O)CCN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000368481927 438335834 /nfs/dbraw/zinc/33/58/34/438335834.db2.gz HYPQGIREIJYFIN-YESZJQIVSA-N 1 3 338.496 0.334 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419032486 438297674 /nfs/dbraw/zinc/29/76/74/438297674.db2.gz WTLWVFUFFMGFOJ-OWCLPIDISA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419032384 438298026 /nfs/dbraw/zinc/29/80/26/438298026.db2.gz WJCGRJJQUMCUDF-WCVJEAGWSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCN1C ZINC000351683368 438317347 /nfs/dbraw/zinc/31/73/47/438317347.db2.gz OJAINEHMTSQEMM-QKPAOTATSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420118747 438388311 /nfs/dbraw/zinc/38/83/11/438388311.db2.gz MTBLYOQGTUEMOJ-OAGGEKHMSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420153194 438390953 /nfs/dbraw/zinc/39/09/53/438390953.db2.gz AYPYZKSJAJMJKX-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419147658 438348185 /nfs/dbraw/zinc/34/81/85/438348185.db2.gz JDRPOLLPPPFCCA-VNQPRFMTSA-N 1 3 332.448 0.396 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419171233 438349055 /nfs/dbraw/zinc/34/90/55/438349055.db2.gz ONQYRSKDTWTWEN-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])N1CCC(C)CC1 ZINC000419382444 438354613 /nfs/dbraw/zinc/35/46/13/438354613.db2.gz YZNZFNFHNUAYAP-CQSZACIVSA-N 1 3 326.485 0.713 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419372733 438356254 /nfs/dbraw/zinc/35/62/54/438356254.db2.gz LKJAUBUTZWMXNG-AWEZNQCLSA-N 1 3 344.459 0.009 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419424825 438356813 /nfs/dbraw/zinc/35/68/13/438356813.db2.gz OTHUXVGAEKGOSY-INIZCTEOSA-N 1 3 332.448 0.618 20 0 ECADHO CCCN(C(=O)C(=O)NCCN(C)[C@@H](C)CC)C1CC[NH2+]CC1 ZINC000419502202 438360222 /nfs/dbraw/zinc/36/02/22/438360222.db2.gz CIIHGGJJJOMFFA-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419653175 438365645 /nfs/dbraw/zinc/36/56/45/438365645.db2.gz FNCSMQFTFVTKBA-DOTOQJQBSA-N 1 3 346.475 0.834 20 0 ECADHO CN(CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622562 438373876 /nfs/dbraw/zinc/37/38/76/438373876.db2.gz RZACIODMSCMKHR-MRXNPFEDSA-N 1 3 346.479 0.589 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419958205 438378604 /nfs/dbraw/zinc/37/86/04/438378604.db2.gz PPLOPJUHILGQLP-HUUCEWRRSA-N 1 3 326.485 0.666 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419958205 438378607 /nfs/dbraw/zinc/37/86/07/438378607.db2.gz PPLOPJUHILGQLP-HUUCEWRRSA-N 1 3 326.485 0.666 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419978097 438378990 /nfs/dbraw/zinc/37/89/90/438378990.db2.gz NSIWAZWXKHHIPH-CVEARBPZSA-N 1 3 336.480 0.579 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000359268655 438398347 /nfs/dbraw/zinc/39/83/47/438398347.db2.gz XDYPIOOXWGPDAS-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000359268655 438398349 /nfs/dbraw/zinc/39/83/49/438398349.db2.gz XDYPIOOXWGPDAS-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000359265169 438398677 /nfs/dbraw/zinc/39/86/77/438398677.db2.gz QRBGRZBNVMKZRV-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000359265169 438398683 /nfs/dbraw/zinc/39/86/83/438398683.db2.gz QRBGRZBNVMKZRV-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C(=O)NCCn1ccnc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368924394 438400851 /nfs/dbraw/zinc/40/08/51/438400851.db2.gz KTJGVMYBFMGATQ-INIZCTEOSA-N 1 3 334.468 0.693 20 0 ECADHO CN(C(=O)NCCn1ccnc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368924395 438401462 /nfs/dbraw/zinc/40/14/62/438401462.db2.gz KTJGVMYBFMGATQ-MRXNPFEDSA-N 1 3 334.468 0.693 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000369401408 438468884 /nfs/dbraw/zinc/46/88/84/438468884.db2.gz MLXLPHWDZUBNCE-HZPDHXFCSA-N 1 3 325.501 0.748 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000352738293 438469187 /nfs/dbraw/zinc/46/91/87/438469187.db2.gz IFTLVTYJOZNXBK-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000352738293 438469197 /nfs/dbraw/zinc/46/91/97/438469197.db2.gz IFTLVTYJOZNXBK-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000422113634 438521501 /nfs/dbraw/zinc/52/15/01/438521501.db2.gz HXVKIZRDEYYOOZ-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000422117163 438523005 /nfs/dbraw/zinc/52/30/05/438523005.db2.gz OUEXFMSMCYGBQN-QAPCUYQASA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000422117163 438523009 /nfs/dbraw/zinc/52/30/09/438523009.db2.gz OUEXFMSMCYGBQN-QAPCUYQASA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)N1CCN(C)CC1 ZINC000353839642 438543209 /nfs/dbraw/zinc/54/32/09/438543209.db2.gz FFPFZKRBAJFBMY-INIZCTEOSA-N 1 3 339.528 0.107 20 0 ECADHO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)N1CCN(C)CC1 ZINC000353839642 438543211 /nfs/dbraw/zinc/54/32/11/438543211.db2.gz FFPFZKRBAJFBMY-INIZCTEOSA-N 1 3 339.528 0.107 20 0 ECADHO C[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)N1CCN(C)CC1 ZINC000353839642 438543216 /nfs/dbraw/zinc/54/32/16/438543216.db2.gz FFPFZKRBAJFBMY-INIZCTEOSA-N 1 3 339.528 0.107 20 0 ECADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422409841 438563953 /nfs/dbraw/zinc/56/39/53/438563953.db2.gz MLBYWYYWHGRORS-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422974648 438623175 /nfs/dbraw/zinc/62/31/75/438623175.db2.gz RLNBBPXRXOCGAQ-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423149389 438642690 /nfs/dbraw/zinc/64/26/90/438642690.db2.gz HPEZVVJHBAAITH-CVEARBPZSA-N 1 3 336.480 0.661 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423148954 438643959 /nfs/dbraw/zinc/64/39/59/438643959.db2.gz GXOCRYMIQRZYDM-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423197789 438648790 /nfs/dbraw/zinc/64/87/90/438648790.db2.gz BEFBPYRQEIMKOC-MRXNPFEDSA-N 1 3 344.459 0.669 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423222796 438650120 /nfs/dbraw/zinc/65/01/20/438650120.db2.gz CPQLDHVETDUPNT-IKGGRYGDSA-N 1 3 348.491 0.531 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410949088 438668593 /nfs/dbraw/zinc/66/85/93/438668593.db2.gz VNQNCFYPWIVLDK-GJYPPUQNSA-N 1 3 348.491 0.626 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410949088 438668597 /nfs/dbraw/zinc/66/85/97/438668597.db2.gz VNQNCFYPWIVLDK-GJYPPUQNSA-N 1 3 348.491 0.626 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423378031 438668695 /nfs/dbraw/zinc/66/86/95/438668695.db2.gz LYWKZDNCDFFGJD-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000411022557 438671340 /nfs/dbraw/zinc/67/13/40/438671340.db2.gz JNBRBBDUEKJCFC-MAUKXSAKSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000411022557 438671344 /nfs/dbraw/zinc/67/13/44/438671344.db2.gz JNBRBBDUEKJCFC-MAUKXSAKSA-N 1 3 336.480 0.482 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)[C@H](C)C1 ZINC000410793520 438657301 /nfs/dbraw/zinc/65/73/01/438657301.db2.gz RBQGUFWHPBRHGP-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)[C@H](C)C1 ZINC000410793520 438657306 /nfs/dbraw/zinc/65/73/06/438657306.db2.gz RBQGUFWHPBRHGP-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCC2CCCCC2)CC(N)=O)C1 ZINC000414686282 438714357 /nfs/dbraw/zinc/71/43/57/438714357.db2.gz AAJGEUYJQWDBTA-INIZCTEOSA-N 1 3 338.496 0.941 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCC2CCCCC2)CC(N)=O)C1 ZINC000414686282 438714360 /nfs/dbraw/zinc/71/43/60/438714360.db2.gz AAJGEUYJQWDBTA-INIZCTEOSA-N 1 3 338.496 0.941 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414872595 438718458 /nfs/dbraw/zinc/71/84/58/438718458.db2.gz FVYWXSQUPIDEGK-HNNXBMFYSA-N 1 3 348.447 0.953 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415056564 438727256 /nfs/dbraw/zinc/72/72/56/438727256.db2.gz SHSJOJARXQSQEG-UHFFFAOYSA-N 1 3 348.447 0.703 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000574986309 438730207 /nfs/dbraw/zinc/73/02/07/438730207.db2.gz CBEPDIPJGVWQQD-ZIAGYGMSSA-N 1 3 332.452 0.777 20 0 ECADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000575029051 438733448 /nfs/dbraw/zinc/73/34/48/438733448.db2.gz GNUQHBGHWNSBJK-JKSUJKDBSA-N 1 3 336.480 0.722 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000554358792 438761710 /nfs/dbraw/zinc/76/17/10/438761710.db2.gz QSUHNBNOTPFLHJ-ARFHVFGLSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000554358796 438762049 /nfs/dbraw/zinc/76/20/49/438762049.db2.gz QSUHNBNOTPFLHJ-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000576146537 438770361 /nfs/dbraw/zinc/77/03/61/438770361.db2.gz MPHASQKPTDBRST-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000577172547 438819094 /nfs/dbraw/zinc/81/90/94/438819094.db2.gz ZJGMPBFTKHKMBS-ZFWWWQNUSA-N 1 3 343.427 0.717 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000577172547 438819097 /nfs/dbraw/zinc/81/90/97/438819097.db2.gz ZJGMPBFTKHKMBS-ZFWWWQNUSA-N 1 3 343.427 0.717 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000577172547 438819103 /nfs/dbraw/zinc/81/91/03/438819103.db2.gz ZJGMPBFTKHKMBS-ZFWWWQNUSA-N 1 3 343.427 0.717 20 0 ECADHO C[C@@H]1C[C@H](CCNC(=O)C(=O)NC2CNC2)C[N@@H+]1Cc1ccccc1 ZINC000577209174 438823700 /nfs/dbraw/zinc/82/37/00/438823700.db2.gz SXWPYNOSBWKBDB-ZBFHGGJFSA-N 1 3 344.459 0.491 20 0 ECADHO C[C@@H]1C[C@H](CCNC(=O)C(=O)NC2CNC2)C[N@H+]1Cc1ccccc1 ZINC000577209174 438823705 /nfs/dbraw/zinc/82/37/05/438823705.db2.gz SXWPYNOSBWKBDB-ZBFHGGJFSA-N 1 3 344.459 0.491 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)C2)C1 ZINC000515165085 438853467 /nfs/dbraw/zinc/85/34/67/438853467.db2.gz UNWBGAUPHPYOTR-RCJHGTSTSA-N 1 3 348.491 0.517 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)C2)C1 ZINC000516308517 438900219 /nfs/dbraw/zinc/90/02/19/438900219.db2.gz GZGLIJBHERYGEW-XSWJXKHESA-N 1 3 334.464 0.126 20 0 ECADHO CS[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@H]1N1CCCC1 ZINC000601397325 438874499 /nfs/dbraw/zinc/87/44/99/438874499.db2.gz LLILRAYHLNAIJG-KGLIPLIRSA-N 1 3 335.539 0.780 20 0 ECADHO CCN1CCN(CCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000564935775 438889909 /nfs/dbraw/zinc/88/99/09/438889909.db2.gz DNHDAYFFTDKFBX-MRXNPFEDSA-N 1 3 334.468 0.175 20 0 ECADHO CN1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)[C@H](C[NH3+])C1 ZINC000578504563 438929231 /nfs/dbraw/zinc/92/92/31/438929231.db2.gz IBZQCTGJBZMGGU-DLBZAZTESA-N 1 3 331.464 0.395 20 0 ECADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516939189 438938729 /nfs/dbraw/zinc/93/87/29/438938729.db2.gz OZYABBDXPCCUIA-MJBXVCDLSA-N 1 3 325.457 0.060 20 0 ECADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516939189 438938731 /nfs/dbraw/zinc/93/87/31/438938731.db2.gz OZYABBDXPCCUIA-MJBXVCDLSA-N 1 3 325.457 0.060 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000565706128 438971661 /nfs/dbraw/zinc/97/16/61/438971661.db2.gz UTTRQVAUWQNBMK-QZTJIDSGSA-N 1 3 345.491 0.854 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000565786701 438978896 /nfs/dbraw/zinc/97/88/96/438978896.db2.gz MEUIITBNFDBOHP-YESZJQIVSA-N 1 3 332.448 0.531 20 0 ECADHO COC(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596692699 438989977 /nfs/dbraw/zinc/98/99/77/438989977.db2.gz LMVHXSQZFOKKRT-KBPBESRZSA-N 1 3 328.457 0.463 20 0 ECADHO COC(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596692699 438989981 /nfs/dbraw/zinc/98/99/81/438989981.db2.gz LMVHXSQZFOKKRT-KBPBESRZSA-N 1 3 328.457 0.463 20 0 ECADHO O=C(NC[C@H]1CNCCO1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000566005041 438995234 /nfs/dbraw/zinc/99/52/34/438995234.db2.gz OJYZWICFDOVJFN-RCCFBDPRSA-N 1 3 344.459 0.891 20 0 ECADHO O=C(NC[C@H]1CNCCO1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000566005041 438995237 /nfs/dbraw/zinc/99/52/37/438995237.db2.gz OJYZWICFDOVJFN-RCCFBDPRSA-N 1 3 344.459 0.891 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000566058449 439001460 /nfs/dbraw/zinc/00/14/60/439001460.db2.gz MCATYSQNPJGVRB-RDJZCZTQSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000566068856 439003257 /nfs/dbraw/zinc/00/32/57/439003257.db2.gz HJSSIYULAAQRPU-HUUCEWRRSA-N 1 3 346.475 0.793 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000518753919 439007869 /nfs/dbraw/zinc/00/78/69/439007869.db2.gz WYDVCHWXTJFVNO-HZPDHXFCSA-N 1 3 334.464 0.141 20 0 ECADHO CN1CCC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)[C@@H]1c1cccs1 ZINC000579936309 439048921 /nfs/dbraw/zinc/04/89/21/439048921.db2.gz CRQAHLGHCPJBAY-BXUZGUMPSA-N 1 3 336.461 0.335 20 0 ECADHO C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)NCCN(C)C ZINC000566463141 439057923 /nfs/dbraw/zinc/05/79/23/439057923.db2.gz VASFEZDRXOYTLE-CQSZACIVSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)NCCN(C)C ZINC000566463141 439057929 /nfs/dbraw/zinc/05/79/29/439057929.db2.gz VASFEZDRXOYTLE-CQSZACIVSA-N 1 3 326.485 0.824 20 0 ECADHO C[NH+](C)[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H]1O ZINC000566453655 439058139 /nfs/dbraw/zinc/05/81/39/439058139.db2.gz SOVMVNQDWGVYNH-IRXDYDNUSA-N 1 3 326.400 0.994 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000519382663 439030767 /nfs/dbraw/zinc/03/07/67/439030767.db2.gz SNDKRXIQCSYGHB-JJXSEGSLSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H]1CCCCN1CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602469438 439092280 /nfs/dbraw/zinc/09/22/80/439092280.db2.gz SZWCOLWAQDOSFH-FPTDNZKUSA-N 1 3 329.510 0.868 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1(C)C ZINC000566842038 439093030 /nfs/dbraw/zinc/09/30/30/439093030.db2.gz HIHDPXJJVAXEOC-OAHLLOKOSA-N 1 3 340.512 0.833 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000602480340 439095574 /nfs/dbraw/zinc/09/55/74/439095574.db2.gz GJQSXAJUEAGJAF-XYJFISCASA-N 1 3 338.496 0.380 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000521010181 439101645 /nfs/dbraw/zinc/10/16/45/439101645.db2.gz ORAGJMIXJIUSCG-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)C[C@@H](C)O1 ZINC000479292809 439114887 /nfs/dbraw/zinc/11/48/87/439114887.db2.gz BMTRKUYUAFCNBR-RRCSTGOVSA-N 1 3 325.453 0.057 20 0 ECADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000479468288 439117129 /nfs/dbraw/zinc/11/71/29/439117129.db2.gz CVQDXBXGHPXJFR-GOEBONIOSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000566508826 439066784 /nfs/dbraw/zinc/06/67/84/439066784.db2.gz LZOJQWWYLHXVMP-CQDKDKBSSA-N 1 3 331.420 0.160 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccn1 ZINC000580941912 439151351 /nfs/dbraw/zinc/15/13/51/439151351.db2.gz KGRWATRKQWVGGZ-HZPDHXFCSA-N 1 3 347.463 0.773 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000581068380 439164853 /nfs/dbraw/zinc/16/48/53/439164853.db2.gz BEKLSWGAGIHHEH-CQSZACIVSA-N 1 3 341.500 0.521 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000581145621 439177142 /nfs/dbraw/zinc/17/71/42/439177142.db2.gz HQMRLKDXNZCPBQ-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000581145621 439177146 /nfs/dbraw/zinc/17/71/46/439177146.db2.gz HQMRLKDXNZCPBQ-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000567801243 439179094 /nfs/dbraw/zinc/17/90/94/439179094.db2.gz JXIYHSNMBKYBOQ-CVEARBPZSA-N 1 3 336.480 0.661 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H](O)C(F)F)CC2)CC1 ZINC000489394276 439227095 /nfs/dbraw/zinc/22/70/95/439227095.db2.gz PJWQKTZQAVMNRP-ZDUSSCGKSA-N 1 3 334.411 0.470 20 0 ECADHO CC(=O)N1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000524937392 439197432 /nfs/dbraw/zinc/19/74/32/439197432.db2.gz KZHMAZBOUCFJGH-UHFFFAOYSA-N 1 3 327.473 0.132 20 0 ECADHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000568089196 439213976 /nfs/dbraw/zinc/21/39/76/439213976.db2.gz LEHASBIQOVOPTF-TVFCKZIOSA-N 1 3 343.512 0.139 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1 ZINC000568286794 439235251 /nfs/dbraw/zinc/23/52/51/439235251.db2.gz GTOXBFRNVALPPT-BZUAXINKSA-N 1 3 345.447 0.243 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000568867432 439284206 /nfs/dbraw/zinc/28/42/06/439284206.db2.gz XGZVUIUEPCPMHQ-OLZOCXBDSA-N 1 3 340.493 0.880 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000569767841 439361487 /nfs/dbraw/zinc/36/14/87/439361487.db2.gz QPTCKPMXMUTOKE-GOEBONIOSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000569767841 439361493 /nfs/dbraw/zinc/36/14/93/439361493.db2.gz QPTCKPMXMUTOKE-GOEBONIOSA-N 1 3 336.480 0.528 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CCCN2CCOC)CC1 ZINC000569934618 439376529 /nfs/dbraw/zinc/37/65/29/439376529.db2.gz KMQNXQFGCOHVKZ-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO CN1CCN(CCCCNC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000605946867 439391323 /nfs/dbraw/zinc/39/13/23/439391323.db2.gz BRGQAKDWYRPRCN-UHFFFAOYSA-N 1 3 325.501 0.799 20 0 ECADHO COCCN(C)C[C@@H](O)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000583032087 439410937 /nfs/dbraw/zinc/41/09/37/439410937.db2.gz JMVCAPDFZRBGKL-ZWKOTPCHSA-N 1 3 342.528 0.027 20 0 ECADHO COCCN(C)C[C@@H](O)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000583032087 439410943 /nfs/dbraw/zinc/41/09/43/439410943.db2.gz JMVCAPDFZRBGKL-ZWKOTPCHSA-N 1 3 342.528 0.027 20 0 ECADHO CC[NH+](CC)CCSCC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593784270 439465523 /nfs/dbraw/zinc/46/55/23/439465523.db2.gz LFKASLZDPFZOKZ-UHFFFAOYSA-N 1 3 344.525 0.294 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@H]1CNCCO1 ZINC000571420177 439502775 /nfs/dbraw/zinc/50/27/75/439502775.db2.gz FWQNHPWAUMXABA-IAGOWNOFSA-N 1 3 332.448 0.796 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1CNCCO1 ZINC000571420177 439502780 /nfs/dbraw/zinc/50/27/80/439502780.db2.gz FWQNHPWAUMXABA-IAGOWNOFSA-N 1 3 332.448 0.796 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000583888527 439525287 /nfs/dbraw/zinc/52/52/87/439525287.db2.gz QIOVJHGUXBXDSP-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC[N@@H+]1C ZINC000608704445 439538228 /nfs/dbraw/zinc/53/82/28/439538228.db2.gz UHLOADFEUYYUNP-IXDOHACOSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC[N@H+]1C ZINC000608704445 439538230 /nfs/dbraw/zinc/53/82/30/439538230.db2.gz UHLOADFEUYYUNP-IXDOHACOSA-N 1 3 337.512 0.891 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC[C@@H]21 ZINC000583798400 439511223 /nfs/dbraw/zinc/51/12/23/439511223.db2.gz SHAIPHRKCSELHA-ZACQAIPSSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC[C@@H]21 ZINC000583798400 439511228 /nfs/dbraw/zinc/51/12/28/439511228.db2.gz SHAIPHRKCSELHA-ZACQAIPSSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000584341555 439579659 /nfs/dbraw/zinc/57/96/59/439579659.db2.gz XXWGJCJCYVAZKJ-UHFFFAOYSA-N 1 3 336.480 0.745 20 0 ECADHO O=C(Nc1cccc2c1CCNC2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000572876397 439614659 /nfs/dbraw/zinc/61/46/59/439614659.db2.gz CRQMBEGFVIFJAS-ZDUSSCGKSA-N 1 3 326.404 0.928 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3COC[C@@H]3OC)CC2)CC1 ZINC000573861908 439671812 /nfs/dbraw/zinc/67/18/12/439671812.db2.gz VRYZNDGJVNKMQQ-SJORKVTESA-N 1 3 339.480 0.713 20 0 ECADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCCC1 ZINC000595261241 439683517 /nfs/dbraw/zinc/68/35/17/439683517.db2.gz NADCCRASMHHOMV-ZIAGYGMSSA-N 1 3 337.468 0.204 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC000613985827 439767235 /nfs/dbraw/zinc/76/72/35/439767235.db2.gz KTUKWQFQDGGRFP-GASCZTMLSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC000613985827 439767236 /nfs/dbraw/zinc/76/72/36/439767236.db2.gz KTUKWQFQDGGRFP-GASCZTMLSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC000613985827 439767237 /nfs/dbraw/zinc/76/72/37/439767237.db2.gz KTUKWQFQDGGRFP-GASCZTMLSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC000613985827 439767238 /nfs/dbraw/zinc/76/72/38/439767238.db2.gz KTUKWQFQDGGRFP-GASCZTMLSA-N 1 3 326.485 0.824 20 0 ECADHO CCc1cccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000652431407 439845838 /nfs/dbraw/zinc/84/58/38/439845838.db2.gz MUADWXAYJHNSJU-UHFFFAOYSA-N 1 3 348.491 0.817 20 0 ECADHO CN(C)CCn1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)n1 ZINC000662705837 439852108 /nfs/dbraw/zinc/85/21/08/439852108.db2.gz RPNJSBYKAFTGAJ-ZDUSSCGKSA-N 1 3 346.439 0.603 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)n3ccc(N)n3)CC2)CC1 ZINC000662700121 439852500 /nfs/dbraw/zinc/85/25/00/439852500.db2.gz MKXXLPFHTWBONV-UHFFFAOYSA-N 1 3 348.495 0.875 20 0 ECADHO [NH3+]C1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC2(CCC2)C1 ZINC000662714799 439853602 /nfs/dbraw/zinc/85/36/02/439853602.db2.gz BXOFQKDNVDKGQW-UHFFFAOYSA-N 1 3 334.464 0.415 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@@H+]1C ZINC000626806165 439888966 /nfs/dbraw/zinc/88/89/66/439888966.db2.gz CGUHEJGCIOXWCC-DOMZBBRYSA-N 1 3 346.431 0.706 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@H+]1C ZINC000626806165 439888975 /nfs/dbraw/zinc/88/89/75/439888975.db2.gz CGUHEJGCIOXWCC-DOMZBBRYSA-N 1 3 346.431 0.706 20 0 ECADHO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626817154 439897064 /nfs/dbraw/zinc/89/70/64/439897064.db2.gz LHRZNWCETMBTGX-UHFFFAOYSA-N 1 3 334.420 0.611 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652635232 439897595 /nfs/dbraw/zinc/89/75/95/439897595.db2.gz NUBCODXJGZHEQU-UHFFFAOYSA-N 1 3 348.447 0.811 20 0 ECADHO COC[C@@]1(CNC(=O)N2CCN(c3ccncc3)CC2)CCC[NH2+]1 ZINC000641819257 439922236 /nfs/dbraw/zinc/92/22/36/439922236.db2.gz OBEXQMIDXLIVEE-KRWDZBQOSA-N 1 3 333.436 0.682 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000642439759 439979919 /nfs/dbraw/zinc/97/99/19/439979919.db2.gz OHSWTVTYZWWYOT-ZJIFWQFVSA-N 1 3 336.480 0.481 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000662986473 439982243 /nfs/dbraw/zinc/98/22/43/439982243.db2.gz GENZXQDCBMMUQJ-ZBFHGGJFSA-N 1 3 345.447 0.316 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652711383 439936286 /nfs/dbraw/zinc/93/62/86/439936286.db2.gz QGJOXGFCMGAHEJ-UHFFFAOYSA-N 1 3 336.436 0.415 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000642094924 439949227 /nfs/dbraw/zinc/94/92/27/439949227.db2.gz SPOYRWUQYHGZNB-IAGOWNOFSA-N 1 3 346.475 0.534 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)Cc1ccccc1 ZINC000642094853 439950145 /nfs/dbraw/zinc/95/01/45/439950145.db2.gz GQAWSRQXNGKNNC-INIZCTEOSA-N 1 3 332.448 0.144 20 0 ECADHO C[C@H]1CCC[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000658534365 439986130 /nfs/dbraw/zinc/98/61/30/439986130.db2.gz AQDGSHYDLBMCGB-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017346 439992937 /nfs/dbraw/zinc/99/29/37/439992937.db2.gz JKOJEGVDDZYQJH-KKUMJFAQSA-N 1 3 346.479 0.523 20 0 ECADHO CO[C@H](CN)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094357 439999128 /nfs/dbraw/zinc/99/91/28/439999128.db2.gz XMDXMMCBTIRMRH-MRXNPFEDSA-N 1 3 335.452 0.556 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000658568900 440010609 /nfs/dbraw/zinc/01/06/09/440010609.db2.gz SYZZNGXFBHWXHR-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000658568900 440010618 /nfs/dbraw/zinc/01/06/18/440010618.db2.gz SYZZNGXFBHWXHR-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CCF)C1 ZINC000658537961 439988090 /nfs/dbraw/zinc/98/80/90/439988090.db2.gz ZHQCESINFCYPTE-HNNXBMFYSA-N 1 3 344.475 0.536 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642940934 440068563 /nfs/dbraw/zinc/06/85/63/440068563.db2.gz KYLPOOFOMPMLAF-CQSZACIVSA-N 1 3 333.436 0.220 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000642966957 440070791 /nfs/dbraw/zinc/07/07/91/440070791.db2.gz FHPBOKXFCYQQBK-HNNXBMFYSA-N 1 3 332.448 0.573 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653116519 440070915 /nfs/dbraw/zinc/07/09/15/440070915.db2.gz KAUQCBKGQRXIDS-CVEARBPZSA-N 1 3 334.464 0.284 20 0 ECADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643006524 440077177 /nfs/dbraw/zinc/07/71/77/440077177.db2.gz OQIAWCNGLBXDRM-CABCVRRESA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@]1(CN2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]C1 ZINC000663512461 440089899 /nfs/dbraw/zinc/08/98/99/440089899.db2.gz MVUUZKHGYKLYIT-CRAIPNDOSA-N 1 3 332.496 0.998 20 0 ECADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658640346 440044761 /nfs/dbraw/zinc/04/47/61/440044761.db2.gz WOYCBAOKNKTRCS-UHFFFAOYSA-N 1 3 326.485 0.587 20 0 ECADHO C[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@H]1N1CCN(C)CC1 ZINC000627216020 440048223 /nfs/dbraw/zinc/04/82/23/440048223.db2.gz NNRZWTIHYPXEKF-HZPDHXFCSA-N 1 3 341.500 0.019 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000642809795 440048536 /nfs/dbraw/zinc/04/85/36/440048536.db2.gz VLUVNHGQBKAVQW-AWEZNQCLSA-N 1 3 326.485 0.727 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccccc2-n2cncn2)C1 ZINC000647489549 440052969 /nfs/dbraw/zinc/05/29/69/440052969.db2.gz MFVKMLIJSYXFDB-OAHLLOKOSA-N 1 3 328.420 0.554 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000642898350 440053323 /nfs/dbraw/zinc/05/33/23/440053323.db2.gz DCBFDXWJCLHZFL-JKSUJKDBSA-N 1 3 330.432 0.197 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000642906808 440058292 /nfs/dbraw/zinc/05/82/92/440058292.db2.gz OFZJJAADDZNNJC-LSDHHAIUSA-N 1 3 345.447 0.235 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000642907712 440058650 /nfs/dbraw/zinc/05/86/50/440058650.db2.gz GBYBOUIBGMYTKA-NSHDSACASA-N 1 3 342.390 0.318 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000653353858 440130677 /nfs/dbraw/zinc/13/06/77/440130677.db2.gz JMVSZFMQGXUEAJ-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000627338418 440131766 /nfs/dbraw/zinc/13/17/66/440131766.db2.gz FJCVHQJLVJAZCJ-UHFFFAOYSA-N 1 3 336.436 0.050 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627342714 440138423 /nfs/dbraw/zinc/13/84/23/440138423.db2.gz NTPYYXZIAPVNSP-UAGQMJEPSA-N 1 3 344.459 0.491 20 0 ECADHO O=C(NC1CCN(C2CC2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663545565 440095790 /nfs/dbraw/zinc/09/57/90/440095790.db2.gz MRQSOEXHCDHLJB-QGZVFWFLSA-N 1 3 336.480 0.854 20 0 ECADHO O=C(NC1CCN(C2CC2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663545565 440095795 /nfs/dbraw/zinc/09/57/95/440095795.db2.gz MRQSOEXHCDHLJB-QGZVFWFLSA-N 1 3 336.480 0.854 20 0 ECADHO CCO[C@@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C[C@H]1C[NH3+] ZINC000653247943 440101713 /nfs/dbraw/zinc/10/17/13/440101713.db2.gz YWUCQXVQMUHLCE-CVXDVXMKSA-N 1 3 325.453 0.341 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@@]1(C)C[NH3+] ZINC000643478983 440180408 /nfs/dbraw/zinc/18/04/08/440180408.db2.gz YRQAWMQVIBQCIA-RDTXWAMCSA-N 1 3 345.447 0.174 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(=O)NC1CCCC1 ZINC000663868286 440186657 /nfs/dbraw/zinc/18/66/57/440186657.db2.gz XNTWQDDMHPRAHM-AWEZNQCLSA-N 1 3 341.500 0.616 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(=O)NC1CCCC1 ZINC000663868286 440186663 /nfs/dbraw/zinc/18/66/63/440186663.db2.gz XNTWQDDMHPRAHM-AWEZNQCLSA-N 1 3 341.500 0.616 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643494650 440187062 /nfs/dbraw/zinc/18/70/62/440187062.db2.gz SOUXMZMXTNYBFD-VQIMIIECSA-N 1 3 348.491 0.675 20 0 ECADHO Cn1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1=O ZINC000647905734 440187159 /nfs/dbraw/zinc/18/71/59/440187159.db2.gz IMSNEJBKCWIUDV-HOTGVXAUSA-N 1 3 332.448 0.466 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643504820 440189074 /nfs/dbraw/zinc/18/90/74/440189074.db2.gz UMKKFHZWXLAIMZ-IXDOHACOSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC[C@H]1[NH3+] ZINC000643510656 440191998 /nfs/dbraw/zinc/19/19/98/440191998.db2.gz LEZVCOYNSAVNLE-OWCLPIDISA-N 1 3 336.480 0.659 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@@H]13)C2 ZINC000627425082 440195810 /nfs/dbraw/zinc/19/58/10/440195810.db2.gz DHOKKNUVNOZHPJ-OHQAAIJDSA-N 1 3 348.491 0.578 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000643518423 440196184 /nfs/dbraw/zinc/19/61/84/440196184.db2.gz FAXVSRDHUDQZJL-KLHDSHLOSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(CC(N)=O)CC1 ZINC000663678397 440149989 /nfs/dbraw/zinc/14/99/89/440149989.db2.gz KLXDRTHSDZWWCH-AWEZNQCLSA-N 1 3 341.500 0.555 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(CC(N)=O)CC1 ZINC000663678397 440149996 /nfs/dbraw/zinc/14/99/96/440149996.db2.gz KLXDRTHSDZWWCH-AWEZNQCLSA-N 1 3 341.500 0.555 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000627364658 440153583 /nfs/dbraw/zinc/15/35/83/440153583.db2.gz UVMZOEWVPCIGIR-HUUCEWRRSA-N 1 3 326.485 0.668 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659100383 440247809 /nfs/dbraw/zinc/24/78/09/440247809.db2.gz OJKKKHCUYYRJDJ-UHFFFAOYSA-N 1 3 330.432 0.679 20 0 ECADHO CCN(C(=O)NC[C@H](C)CN1CCN(C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664220475 440262369 /nfs/dbraw/zinc/26/23/69/440262369.db2.gz NASAZBPZXLJUPO-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO CCN(C(=O)NC[C@H](C)CN1CCN(C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664220475 440262377 /nfs/dbraw/zinc/26/23/77/440262377.db2.gz NASAZBPZXLJUPO-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO CCN(C(=O)NC[C@H](C)CN1CCN(C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000664220479 440263454 /nfs/dbraw/zinc/26/34/54/440263454.db2.gz NASAZBPZXLJUPO-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO CCN(C(=O)NC[C@H](C)CN1CCN(C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000664220479 440263460 /nfs/dbraw/zinc/26/34/60/440263460.db2.gz NASAZBPZXLJUPO-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)C1=CCN(C)CC1 ZINC000664631643 440345643 /nfs/dbraw/zinc/34/56/43/440345643.db2.gz ZCXABCJDURWQJL-OAHLLOKOSA-N 1 3 325.501 0.820 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NCC[NH2+]C3CC3)ccc2[nH]c1=O ZINC000637828009 440346866 /nfs/dbraw/zinc/34/68/66/440346866.db2.gz NBBWMOUONOCINK-UHFFFAOYSA-N 1 3 331.420 0.785 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661698 440373342 /nfs/dbraw/zinc/37/33/42/440373342.db2.gz LWVPSXBVZWQIJD-HRCADAONSA-N 1 3 325.501 0.652 20 0 ECADHO [NH3+]C[C@H](NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)C1CC1 ZINC000659519383 440352750 /nfs/dbraw/zinc/35/27/50/440352750.db2.gz QUAMOOJPUIHOCO-IRXDYDNUSA-N 1 3 332.448 0.790 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000632722946 440356023 /nfs/dbraw/zinc/35/60/23/440356023.db2.gz CALFPCZADLHSQB-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CCCN1CC[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000664540609 440327662 /nfs/dbraw/zinc/32/76/62/440327662.db2.gz YUVXOMBFVZJGAM-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CNC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664557633 440329905 /nfs/dbraw/zinc/32/99/05/440329905.db2.gz RSPBYJZCIGZWHB-SOUVJXGZSA-N 1 3 341.500 0.472 20 0 ECADHO CNC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664557633 440329910 /nfs/dbraw/zinc/32/99/10/440329910.db2.gz RSPBYJZCIGZWHB-SOUVJXGZSA-N 1 3 341.500 0.472 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NCC23CC(C2)C[NH2+]3)ccn1 ZINC000659474691 440336194 /nfs/dbraw/zinc/33/61/94/440336194.db2.gz GUSJMTROHLVRHM-UHFFFAOYSA-N 1 3 333.436 0.573 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659681212 440416356 /nfs/dbraw/zinc/41/63/56/440416356.db2.gz RAWAVUDHCKCQIK-QLFBSQMISA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)(CNC(=O)CN1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000638067983 440423102 /nfs/dbraw/zinc/42/31/02/440423102.db2.gz HZYOALLOTCCMPR-UHFFFAOYSA-N 1 3 330.476 0.845 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCO1 ZINC000649274385 440427272 /nfs/dbraw/zinc/42/72/72/440427272.db2.gz IHLRFXHZERZZLM-WMZOPIPTSA-N 1 3 346.475 0.773 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)NC(N)=O ZINC000654679563 440376715 /nfs/dbraw/zinc/37/67/15/440376715.db2.gz ZFKSLGHIJVPCNK-UONOGXRCSA-N 1 3 327.473 0.308 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)NC(N)=O ZINC000654679563 440376725 /nfs/dbraw/zinc/37/67/25/440376725.db2.gz ZFKSLGHIJVPCNK-UONOGXRCSA-N 1 3 327.473 0.308 20 0 ECADHO [NH3+]CCN(Cc1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659628911 440381438 /nfs/dbraw/zinc/38/14/38/440381438.db2.gz MIOZBHDXXISPKJ-UHFFFAOYSA-N 1 3 330.392 0.311 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1C ZINC000659632332 440386585 /nfs/dbraw/zinc/38/65/85/440386585.db2.gz VSZORUCHLNPEPH-DGCLKSJQSA-N 1 3 336.440 0.655 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1C ZINC000659632332 440386592 /nfs/dbraw/zinc/38/65/92/440386592.db2.gz VSZORUCHLNPEPH-DGCLKSJQSA-N 1 3 336.440 0.655 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000633000801 440405164 /nfs/dbraw/zinc/40/51/64/440405164.db2.gz PTCIKRNPISXMOT-ZDUSSCGKSA-N 1 3 348.451 0.299 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)c1ccccc1 ZINC000659674073 440410225 /nfs/dbraw/zinc/41/02/25/440410225.db2.gz KLBTYQUHFKKKDR-HOCLYGCPSA-N 1 3 334.464 0.910 20 0 ECADHO C[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@H](C)CN1 ZINC000638154498 440466957 /nfs/dbraw/zinc/46/69/57/440466957.db2.gz CBPZRCQOCJKGNX-NXEZZACHSA-N 1 3 342.394 0.963 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000659739553 440476307 /nfs/dbraw/zinc/47/63/07/440476307.db2.gz XFODLMXXTSMYGH-INIZCTEOSA-N 1 3 332.448 0.574 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CCC2C[NH2+]C2)c1 ZINC000638084020 440430917 /nfs/dbraw/zinc/43/09/17/440430917.db2.gz COKOTUYFGWYEIZ-UHFFFAOYSA-N 1 3 332.448 0.594 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000638091233 440433015 /nfs/dbraw/zinc/43/30/15/440433015.db2.gz RQDMIKORTFYOCX-INIZCTEOSA-N 1 3 331.420 0.962 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1)N(C)C ZINC000628215888 440436044 /nfs/dbraw/zinc/43/60/44/440436044.db2.gz XJTGBXRYKZURMQ-RBSFLKMASA-N 1 3 326.485 0.774 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)n1 ZINC000654932536 440440686 /nfs/dbraw/zinc/44/06/86/440440686.db2.gz ACQSIRYWNQYFBI-DJIMGWMZSA-N 1 3 349.479 0.768 20 0 ECADHO NCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659710330 440443611 /nfs/dbraw/zinc/44/36/11/440443611.db2.gz QJDUSJFNRMFMCB-MRXNPFEDSA-N 1 3 344.459 0.480 20 0 ECADHO NCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659710330 440443622 /nfs/dbraw/zinc/44/36/22/440443622.db2.gz QJDUSJFNRMFMCB-MRXNPFEDSA-N 1 3 344.459 0.480 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNCC2)[C@@H](C)C1 ZINC000638117674 440447361 /nfs/dbraw/zinc/44/73/61/440447361.db2.gz SQVKCHNHEUEYRC-JKSUJKDBSA-N 1 3 326.485 0.145 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CN2CCNCC2)[C@@H](C)C1 ZINC000638117674 440447369 /nfs/dbraw/zinc/44/73/69/440447369.db2.gz SQVKCHNHEUEYRC-JKSUJKDBSA-N 1 3 326.485 0.145 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659717014 440451644 /nfs/dbraw/zinc/45/16/44/440451644.db2.gz DFQURZKAQXAEBT-YNEHKIRRSA-N 1 3 340.468 0.205 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659717014 440451647 /nfs/dbraw/zinc/45/16/47/440451647.db2.gz DFQURZKAQXAEBT-YNEHKIRRSA-N 1 3 340.468 0.205 20 0 ECADHO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@H]1CN1CCCC1 ZINC000649309548 440453251 /nfs/dbraw/zinc/45/32/51/440453251.db2.gz WKGGNMYFXGXLDI-CABCVRRESA-N 1 3 332.452 0.731 20 0 ECADHO C[C@H]1CCN(CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638125948 440454041 /nfs/dbraw/zinc/45/40/41/440454041.db2.gz HLQLAEXKUKEWLQ-QWRGUYRKSA-N 1 3 342.394 0.822 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)CC1 ZINC000638137623 440459010 /nfs/dbraw/zinc/45/90/10/440459010.db2.gz XEMHWKHBTVAUSE-ZWKOTPCHSA-N 1 3 346.475 0.557 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659722732 440459413 /nfs/dbraw/zinc/45/94/13/440459413.db2.gz OMGKEYFTIJMLGN-MRXNPFEDSA-N 1 3 330.432 0.507 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CN2CCNCC2)cc1 ZINC000638411001 440532065 /nfs/dbraw/zinc/53/20/65/440532065.db2.gz DQTYOOALDWOCPI-IRXDYDNUSA-N 1 3 332.448 0.162 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000659746612 440486104 /nfs/dbraw/zinc/48/61/04/440486104.db2.gz NPNHAVIJAUALNN-OAHLLOKOSA-N 1 3 342.484 0.045 20 0 ECADHO O=C(CN1CCNCC1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000638256996 440489269 /nfs/dbraw/zinc/48/92/69/440489269.db2.gz YQZCURTXBFAHEU-WBVHZDCISA-N 1 3 334.439 0.540 20 0 ECADHO CN1CCC[C@@H](N2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000649414696 440493148 /nfs/dbraw/zinc/49/31/48/440493148.db2.gz QZJRMDZFXCWSPA-AABGKKOBSA-N 1 3 346.519 0.629 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659756444 440493291 /nfs/dbraw/zinc/49/32/91/440493291.db2.gz QQUZNOMULQGDQS-MRXNPFEDSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638305256 440505466 /nfs/dbraw/zinc/50/54/66/440505466.db2.gz SRAAQBOYXHMPEQ-OAHLLOKOSA-N 1 3 331.464 0.628 20 0 ECADHO Cc1nc([C@@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n[nH]1 ZINC000665762430 440523371 /nfs/dbraw/zinc/52/33/71/440523371.db2.gz DGNXXSVGGHFIJH-NWDGAFQWSA-N 1 3 325.461 0.745 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)C1CCOCC1 ZINC000665758769 440524056 /nfs/dbraw/zinc/52/40/56/440524056.db2.gz OSADLMPRDOKCNR-HOCLYGCPSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)C1CCOCC1 ZINC000665758769 440524060 /nfs/dbraw/zinc/52/40/60/440524060.db2.gz OSADLMPRDOKCNR-HOCLYGCPSA-N 1 3 344.500 0.345 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638379940 440524450 /nfs/dbraw/zinc/52/44/50/440524450.db2.gz ROXVZWKWIHPGTJ-UHFFFAOYSA-N 1 3 327.469 0.701 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(NC(N)=O)CC1 ZINC000665759889 440524987 /nfs/dbraw/zinc/52/49/87/440524987.db2.gz SIXQCDZYOOUPIY-ZDUSSCGKSA-N 1 3 342.488 0.101 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(NC(N)=O)CC1 ZINC000665759889 440524993 /nfs/dbraw/zinc/52/49/93/440524993.db2.gz SIXQCDZYOOUPIY-ZDUSSCGKSA-N 1 3 342.488 0.101 20 0 ECADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638416273 440533331 /nfs/dbraw/zinc/53/33/31/440533331.db2.gz PMDHRZNYAPXSNB-SFHVURJKSA-N 1 3 330.476 0.667 20 0 ECADHO O=C(CNC[C@H]1CCCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638777119 440621701 /nfs/dbraw/zinc/62/17/01/440621701.db2.gz BXOIMYLSUHZCKI-CVEARBPZSA-N 1 3 325.453 0.372 20 0 ECADHO COC[C@@]1(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638786172 440623665 /nfs/dbraw/zinc/62/36/65/440623665.db2.gz KMWVJZWAZYLHJF-FUHWJXTLSA-N 1 3 339.480 0.762 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2CCCN2CCCO)cn1 ZINC000650470543 440647364 /nfs/dbraw/zinc/64/73/64/440647364.db2.gz MUKJEKQNKCHIOZ-HNNXBMFYSA-N 1 3 338.456 0.413 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638928928 440653171 /nfs/dbraw/zinc/65/31/71/440653171.db2.gz CMIYDEIQEZTNCV-YPMHNXCESA-N 1 3 331.420 0.865 20 0 ECADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCC1(N2CCOCC2)CC1 ZINC000644633189 440658816 /nfs/dbraw/zinc/65/88/16/440658816.db2.gz PILMGYIEDIEKRP-SFHVURJKSA-N 1 3 333.476 0.934 20 0 ECADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNCC1(N2CCOCC2)CC1 ZINC000644633189 440658819 /nfs/dbraw/zinc/65/88/19/440658819.db2.gz PILMGYIEDIEKRP-SFHVURJKSA-N 1 3 333.476 0.934 20 0 ECADHO C[C@@H]1NC(=O)CC[C@@H]1NCC1(C[NH2+][C@H]2CCC(=O)N[C@H]2C)CCC1 ZINC000660477045 440662070 /nfs/dbraw/zinc/66/20/70/440662070.db2.gz ILAFVZUICZCQOR-AJNGGQMLSA-N 1 3 336.480 0.670 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCCN4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000655976356 440664638 /nfs/dbraw/zinc/66/46/38/440664638.db2.gz WSPWAXBVPKYYGU-VVLHAWIVSA-N 1 3 346.479 0.873 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911755 440639261 /nfs/dbraw/zinc/63/92/61/440639261.db2.gz MZPCZFJNPBLHFN-LBPRGKRZSA-N 1 3 339.406 0.593 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000656024859 440695046 /nfs/dbraw/zinc/69/50/46/440695046.db2.gz SVXLDXNTABSUGD-AKAXFMLLSA-N 1 3 330.432 0.362 20 0 ECADHO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000656021840 440695788 /nfs/dbraw/zinc/69/57/88/440695788.db2.gz LOILAQSSOJGOQO-BRWVUGGUSA-N 1 3 344.459 0.936 20 0 ECADHO CO[C@@]1(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCOC1 ZINC000639262622 440700737 /nfs/dbraw/zinc/70/07/37/440700737.db2.gz ZYQJUFXPTZKIRC-QGZVFWFLSA-N 1 3 327.469 0.178 20 0 ECADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000639348623 440708806 /nfs/dbraw/zinc/70/88/06/440708806.db2.gz DNIMEUUWLPOVNS-HUUCEWRRSA-N 1 3 347.525 0.672 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656303216 440754853 /nfs/dbraw/zinc/75/48/53/440754853.db2.gz HNSXFXHAFTVLNT-YHUYYLMFSA-N 1 3 338.496 0.679 20 0 ECADHO CN(C)CCN1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1=O ZINC000651147839 440757821 /nfs/dbraw/zinc/75/78/21/440757821.db2.gz CJAPLOSLXAHQQT-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO CN(C)CCN1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1=O ZINC000651147839 440757828 /nfs/dbraw/zinc/75/78/28/440757828.db2.gz CJAPLOSLXAHQQT-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCOC2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629516916 440716286 /nfs/dbraw/zinc/71/62/86/440716286.db2.gz UIOLYJBBVMAUJH-RDJZCZTQSA-N 1 3 339.480 0.762 20 0 ECADHO C[C@@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)C(C)(C)C[NH+](C)C ZINC000650971185 440717744 /nfs/dbraw/zinc/71/77/44/440717744.db2.gz PCZMKGQJERAWPE-CQSZACIVSA-N 1 3 341.500 0.378 20 0 ECADHO C[C@@H](Cn1cc(Br)ccc1=O)NCCOCCC[NH3+] ZINC000629540122 440723117 /nfs/dbraw/zinc/72/31/17/440723117.db2.gz ULQAANIIKUMXMI-NSHDSACASA-N 1 3 332.242 0.954 20 0 ECADHO O=C1c2ccccc2C(=O)N1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629581157 440739354 /nfs/dbraw/zinc/73/93/54/440739354.db2.gz PLGXTSMXAUSQNW-AWEZNQCLSA-N 1 3 331.416 0.719 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000645122682 440751734 /nfs/dbraw/zinc/75/17/34/440751734.db2.gz CQMSVCLWWYWPFE-ZDUSSCGKSA-N 1 3 337.468 0.375 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656302450 440754349 /nfs/dbraw/zinc/75/43/49/440754349.db2.gz JHOQWJVUUKYUMY-XHSDSOJGSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)nc[nH]c2=O ZINC000639835828 440800601 /nfs/dbraw/zinc/80/06/01/440800601.db2.gz HEHLCJDCSDLDRZ-UHFFFAOYSA-N 1 3 331.420 0.901 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656308347 440760826 /nfs/dbraw/zinc/76/08/26/440760826.db2.gz CJSWTCOTVPLOFJ-JKSUJKDBSA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656308347 440760829 /nfs/dbraw/zinc/76/08/29/440760829.db2.gz CJSWTCOTVPLOFJ-JKSUJKDBSA-N 1 3 336.480 0.720 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645260972 440770839 /nfs/dbraw/zinc/77/08/39/440770839.db2.gz RRJHWTHUNIHTEB-ZIAGYGMSSA-N 1 3 327.473 0.478 20 0 ECADHO C[C@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C[NH+]1CCCC1 ZINC000645263337 440774067 /nfs/dbraw/zinc/77/40/67/440774067.db2.gz XLWPTRHVFXYAJZ-HUUCEWRRSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656343111 440779866 /nfs/dbraw/zinc/77/98/66/440779866.db2.gz KWVPGVGEYNKCLI-GEEKYZPCSA-N 1 3 338.496 0.822 20 0 ECADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3CC[NH+](C)C)[C@H]2C1 ZINC000645619866 440862731 /nfs/dbraw/zinc/86/27/31/440862731.db2.gz NBIUMHPFZFQKKV-WBVHZDCISA-N 1 3 344.459 0.892 20 0 ECADHO CN(CCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)CN(C)C1CCC1 ZINC000629949588 440816367 /nfs/dbraw/zinc/81/63/67/440816367.db2.gz JXYGXOHXWZAPAT-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)CN(C)C1CCC1 ZINC000629949588 440816374 /nfs/dbraw/zinc/81/63/74/440816374.db2.gz JXYGXOHXWZAPAT-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000630567465 440916962 /nfs/dbraw/zinc/91/69/62/440916962.db2.gz NAOIJAIFAGLGGP-UHFFFAOYSA-N 1 3 328.420 0.802 20 0 ECADHO O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H]1CC[NH2+]C1 ZINC000646071122 440988011 /nfs/dbraw/zinc/98/80/11/440988011.db2.gz MURFXIBWSSAWNL-YJBOKZPZSA-N 1 3 328.416 0.792 20 0 ECADHO CN(C)C(=O)CCN1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662263519 440997000 /nfs/dbraw/zinc/99/70/00/440997000.db2.gz MQCXLGVWCNUEEP-UHFFFAOYSA-N 1 3 330.476 0.928 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC2CCN(CCN(C)C)CC2)C[C@H]1C[NH3+] ZINC000652125478 441017049 /nfs/dbraw/zinc/01/70/49/441017049.db2.gz VDXYEIMRSRIIKT-GDBMZVCRSA-N 1 3 341.500 0.018 20 0 ECADHO CN1CCN(CCCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652154864 441021363 /nfs/dbraw/zinc/02/13/63/441021363.db2.gz QIDQHOHOUNJOLD-WMZOPIPTSA-N 1 3 337.512 0.784 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc2c1CNC2 ZINC000662560821 441070002 /nfs/dbraw/zinc/07/00/02/441070002.db2.gz HWGSLICBVFOTLK-AWEZNQCLSA-N 1 3 330.432 0.750 20 0 ECADHO [NH3+]CCn1cc(C(=O)N2CCCN(CC3CCCCC3)CC2)nn1 ZINC000662397651 441028164 /nfs/dbraw/zinc/02/81/64/441028164.db2.gz KBRUARHQBMALSE-UHFFFAOYSA-N 1 3 334.468 0.965 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CN2CCCCCC2)CC1 ZINC000339668387 320995072 /nfs/dbraw/zinc/99/50/72/320995072.db2.gz GWJLOXDLFUFGMF-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000339920094 321003675 /nfs/dbraw/zinc/00/36/75/321003675.db2.gz BYNUSRJUKQXBOY-GDBMZVCRSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC(C)CC1)C(C)(C)C[NH+](C)C ZINC000340202653 321020833 /nfs/dbraw/zinc/02/08/33/321020833.db2.gz OBZZTTPJYGNUCH-OAHLLOKOSA-N 1 3 340.512 0.927 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340208627 321022081 /nfs/dbraw/zinc/02/20/81/321022081.db2.gz DDRDRKNGYAVIHC-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340208627 321022083 /nfs/dbraw/zinc/02/20/83/321022083.db2.gz DDRDRKNGYAVIHC-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CN1C1CC1 ZINC000340219364 321024522 /nfs/dbraw/zinc/02/45/22/321024522.db2.gz RWDRKFFLFCZBIQ-ILXRZTDVSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CN1C1CC1 ZINC000340219364 321024523 /nfs/dbraw/zinc/02/45/23/321024523.db2.gz RWDRKFFLFCZBIQ-ILXRZTDVSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCCN1CCN(CCO)CC1 ZINC000340233586 321026824 /nfs/dbraw/zinc/02/68/24/321026824.db2.gz XIMXDIVQUKEFCJ-CALCHBBNSA-N 1 3 340.512 0.366 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCCN1CCN(CCO)CC1 ZINC000340233586 321026825 /nfs/dbraw/zinc/02/68/25/321026825.db2.gz XIMXDIVQUKEFCJ-CALCHBBNSA-N 1 3 340.512 0.366 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000340258996 321031076 /nfs/dbraw/zinc/03/10/76/321031076.db2.gz JETIQQDFRXGIOW-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000340258996 321031078 /nfs/dbraw/zinc/03/10/78/321031078.db2.gz JETIQQDFRXGIOW-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000340266984 321033258 /nfs/dbraw/zinc/03/32/58/321033258.db2.gz GSYCAFHKQMJLKV-FMKPAKJESA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC[N@@H+]1C ZINC000340424956 321044132 /nfs/dbraw/zinc/04/41/32/321044132.db2.gz RJQKEKPDKMOVGS-XJKCOSOUSA-N 1 3 342.509 0.139 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC[N@H+]1C ZINC000340424956 321044134 /nfs/dbraw/zinc/04/41/34/321044134.db2.gz RJQKEKPDKMOVGS-XJKCOSOUSA-N 1 3 342.509 0.139 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000342900105 321108783 /nfs/dbraw/zinc/10/87/83/321108783.db2.gz YXRDEWWQAQOTCZ-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000343158971 321125941 /nfs/dbraw/zinc/12/59/41/321125941.db2.gz VCKHHQOLQXIGNA-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000343158971 321125943 /nfs/dbraw/zinc/12/59/43/321125943.db2.gz VCKHHQOLQXIGNA-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000343634063 321140329 /nfs/dbraw/zinc/14/03/29/321140329.db2.gz FTPRKGRSJSQKBJ-HOCLYGCPSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000343634063 321140330 /nfs/dbraw/zinc/14/03/30/321140330.db2.gz FTPRKGRSJSQKBJ-HOCLYGCPSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)C[N@@H+]1C1CC1 ZINC000346114174 321214704 /nfs/dbraw/zinc/21/47/04/321214704.db2.gz UADALBRSKSTTSO-KEYYUXOJSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)C[N@H+]1C1CC1 ZINC000346114174 321214706 /nfs/dbraw/zinc/21/47/06/321214706.db2.gz UADALBRSKSTTSO-KEYYUXOJSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000346157802 321216519 /nfs/dbraw/zinc/21/65/19/321216519.db2.gz ARMFIZBUVDTZMS-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000346157808 321216597 /nfs/dbraw/zinc/21/65/97/321216597.db2.gz ARMFIZBUVDTZMS-PMPSAXMXSA-N 1 3 336.480 0.482 20 0 ECADHO O=C1CC[C@@H]2CN(CCCCC[N@@H+]3CCN4C(=O)CC[C@@H]4C3)CCN12 ZINC000346466060 321222684 /nfs/dbraw/zinc/22/26/84/321222684.db2.gz VTRHRZAHHYYWOI-IAGOWNOFSA-N 1 3 348.491 0.770 20 0 ECADHO O=C1CC[C@@H]2CN(CCCCC[N@H+]3CCN4C(=O)CC[C@@H]4C3)CCN12 ZINC000346466060 321222685 /nfs/dbraw/zinc/22/26/85/321222685.db2.gz VTRHRZAHHYYWOI-IAGOWNOFSA-N 1 3 348.491 0.770 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347973697 321261403 /nfs/dbraw/zinc/26/14/03/321261403.db2.gz KDRYYZQKRWCWBX-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347973697 321261404 /nfs/dbraw/zinc/26/14/04/321261404.db2.gz KDRYYZQKRWCWBX-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C1=CCN(C)CC1 ZINC000348765149 321286758 /nfs/dbraw/zinc/28/67/58/321286758.db2.gz QVVMZXDIPCASGB-AWEZNQCLSA-N 1 3 348.491 0.744 20 0 ECADHO COCC[NH+](CCOC)C1CCN(CC2(O)CCOCC2)CC1 ZINC000353020459 321378875 /nfs/dbraw/zinc/37/88/75/321378875.db2.gz IIRCAMQSUBTDNK-UHFFFAOYSA-N 1 3 330.469 0.587 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531049961 322034878 /nfs/dbraw/zinc/03/48/78/322034878.db2.gz NKTRDUUAFRFGNY-LJQANCHMSA-N 1 3 349.475 0.708 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531049961 322034881 /nfs/dbraw/zinc/03/48/81/322034881.db2.gz NKTRDUUAFRFGNY-LJQANCHMSA-N 1 3 349.475 0.708 20 0 ECADHO C[C@H]1CCC[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000560326564 322233848 /nfs/dbraw/zinc/23/38/48/322233848.db2.gz IDRLXJAEDJNKEM-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000563545572 322327506 /nfs/dbraw/zinc/32/75/06/322327506.db2.gz FBDYVRROVRFISE-OAGGEKHMSA-N 1 3 325.501 0.639 20 0 ECADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)NC1CNC1 ZINC000563645191 322336310 /nfs/dbraw/zinc/33/63/10/322336310.db2.gz ZZOXZLJRFBWKSE-UHFFFAOYSA-N 1 3 348.447 0.111 20 0 ECADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000565893364 322485491 /nfs/dbraw/zinc/48/54/91/322485491.db2.gz BWOYXMYASSGIIY-MELADBBJSA-N 1 3 337.468 0.107 20 0 ECADHO CC(C)[NH+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)C ZINC000570106538 322676518 /nfs/dbraw/zinc/67/65/18/322676518.db2.gz DGXVYQYIQQLFQM-LSDHHAIUSA-N 1 3 339.484 0.449 20 0 ECADHO CC(C)[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000575228364 322793103 /nfs/dbraw/zinc/79/31/03/322793103.db2.gz SATACRUHCQGLEO-MRXNPFEDSA-N 1 3 340.512 0.833 20 0 ECADHO O=C(N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011784 782134704 /nfs/dbraw/zinc/13/47/04/782134704.db2.gz HKMMMPLSCQETFC-BZUAXINKSA-N 1 3 337.464 0.203 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000342983167 546088674 /nfs/dbraw/zinc/08/86/74/546088674.db2.gz ACPGRZOZNLRNAZ-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000342983167 546088677 /nfs/dbraw/zinc/08/86/77/546088677.db2.gz ACPGRZOZNLRNAZ-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000343013922 546092166 /nfs/dbraw/zinc/09/21/66/546092166.db2.gz NNTCHSXVJFUUSE-SOUVJXGZSA-N 1 3 326.485 0.822 20 0 ECADHO COCC1(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)CC[NH2+]CC1 ZINC000366460564 546181208 /nfs/dbraw/zinc/18/12/08/546181208.db2.gz XNJLEJVZTSLLLO-UHFFFAOYSA-N 1 3 344.419 0.885 20 0 ECADHO CO[C@H]1C[C@@H](CN(C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)[N@H+](C)C1 ZINC000497514639 546255808 /nfs/dbraw/zinc/25/58/08/546255808.db2.gz FTOCNWUQYJDNMB-QEOTZNIISA-N 1 3 329.485 0.107 20 0 ECADHO CO[C@H]1C[C@@H](CN(C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)[N@@H+](C)C1 ZINC000497514639 546255810 /nfs/dbraw/zinc/25/58/10/546255810.db2.gz FTOCNWUQYJDNMB-QEOTZNIISA-N 1 3 329.485 0.107 20 0 ECADHO C[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000621370256 546508246 /nfs/dbraw/zinc/50/82/46/546508246.db2.gz FTAXRFJDFTVNSW-MHORFTMASA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000621370256 546508250 /nfs/dbraw/zinc/50/82/50/546508250.db2.gz FTAXRFJDFTVNSW-MHORFTMASA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](C)[C@H](CO)C2)C[C@H]1CO 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332.448 0.798 20 0 ECADHO C[N@H+]1CC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)[C@@H]1c1ccccc1 ZINC000636984904 547392292 /nfs/dbraw/zinc/39/22/92/547392292.db2.gz MLPMXCRMBVVJRB-IKGGRYGDSA-N 1 3 332.448 0.798 20 0 ECADHO O=C(C[C@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000662865730 547459067 /nfs/dbraw/zinc/45/90/67/547459067.db2.gz CZGWQOOPGOUJHO-XEZPLFJOSA-N 1 3 339.386 0.905 20 0 ECADHO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4)C[C@H]2C1 ZINC000667116364 547474575 /nfs/dbraw/zinc/47/45/75/547474575.db2.gz XWUUOCCRVZBNEE-BETUJISGSA-N 1 3 346.406 0.430 20 0 ECADHO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4)C[C@H]2C1 ZINC000667116364 547474579 /nfs/dbraw/zinc/47/45/79/547474579.db2.gz XWUUOCCRVZBNEE-BETUJISGSA-N 1 3 346.406 0.430 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000668347854 547627611 /nfs/dbraw/zinc/62/76/11/547627611.db2.gz GQIMSJSMCVDOIF-HNNXBMFYSA-N 1 3 326.485 0.822 20 0 ECADHO CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(CC)C1 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C[C@@H](CN1CCOCC1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680010962 549144225 /nfs/dbraw/zinc/14/42/25/549144225.db2.gz PWXBMIHRCSWISH-HOTGVXAUSA-N 1 3 338.496 0.239 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000410429137 578132018 /nfs/dbraw/zinc/13/20/18/578132018.db2.gz BYNPMHWSPADDAM-GOSISDBHSA-N 1 3 336.480 0.485 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000410429137 578132019 /nfs/dbraw/zinc/13/20/19/578132019.db2.gz BYNPMHWSPADDAM-GOSISDBHSA-N 1 3 336.480 0.485 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000788795588 578843909 /nfs/dbraw/zinc/84/39/09/578843909.db2.gz ALDLOXFKUZILQY-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCCCC1 ZINC000788795588 578843910 /nfs/dbraw/zinc/84/39/10/578843910.db2.gz ALDLOXFKUZILQY-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793696151 578935260 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CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc2)CC1 ZINC000841174273 588980953 /nfs/dbraw/zinc/98/09/53/588980953.db2.gz VHHQHIQHZUSVEN-CQSZACIVSA-N 1 3 347.463 0.573 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842053252 589009729 /nfs/dbraw/zinc/00/97/29/589009729.db2.gz REBRQRTXISQRMB-IIDMSEBBSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000891497888 586171785 /nfs/dbraw/zinc/17/17/85/586171785.db2.gz OYRZPQNLRSSDHD-XJKSGUPXSA-N 1 3 347.463 0.609 20 0 ECADHO CS(=O)(=O)C1CC(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000895335776 586177014 /nfs/dbraw/zinc/17/70/14/586177014.db2.gz ACVMVMIUBCWBHT-AQFXKWCLSA-N 1 3 338.473 0.918 20 0 ECADHO CS(=O)(=O)C1CC(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000895335776 586177016 /nfs/dbraw/zinc/17/70/16/586177016.db2.gz ACVMVMIUBCWBHT-AQFXKWCLSA-N 1 3 338.473 0.918 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)CN1CCN(C)CC1 ZINC000891602280 586181194 /nfs/dbraw/zinc/18/11/94/586181194.db2.gz KMRIJKYSFYGQLY-KBPBESRZSA-N 1 3 347.454 0.414 20 0 ECADHO CN1CCN(C2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000892158826 586225548 /nfs/dbraw/zinc/22/55/48/586225548.db2.gz KOHIYYIZBKGDKI-INIZCTEOSA-N 1 3 337.512 0.940 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CNCCO3)C2)cc1 ZINC000892180651 586227881 /nfs/dbraw/zinc/22/78/81/586227881.db2.gz OEVDCHFISWZVKE-IRXDYDNUSA-N 1 3 332.448 0.857 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000892180651 586227884 /nfs/dbraw/zinc/22/78/84/586227884.db2.gz OEVDCHFISWZVKE-IRXDYDNUSA-N 1 3 332.448 0.857 20 0 ECADHO CN(C)CC[NH+]1CCC(CNC(=O)C2CN([C@@H]3CCOC3)C2)CC1 ZINC000896409881 586240179 /nfs/dbraw/zinc/24/01/79/586240179.db2.gz HUKJPLQRJVIYNZ-QGZVFWFLSA-N 1 3 338.496 0.097 20 0 ECADHO C[NH+](C)CCN1CCC(CNC(=O)C2CN([C@@H]3CCOC3)C2)CC1 ZINC000896409881 586240182 /nfs/dbraw/zinc/24/01/82/586240182.db2.gz HUKJPLQRJVIYNZ-QGZVFWFLSA-N 1 3 338.496 0.097 20 0 ECADHO CC[N@H+](CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C(C)C ZINC000892669891 586281302 /nfs/dbraw/zinc/28/13/02/586281302.db2.gz MQMKDNPAFMOTLJ-HOTGVXAUSA-N 1 3 326.485 0.957 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C(C)C ZINC000892669891 586281303 /nfs/dbraw/zinc/28/13/03/586281303.db2.gz MQMKDNPAFMOTLJ-HOTGVXAUSA-N 1 3 326.485 0.957 20 0 ECADHO O=C(NCCNc1ccncc1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892780956 586290219 /nfs/dbraw/zinc/29/02/19/586290219.db2.gz XHQOLHYDOWOQAD-HNNXBMFYSA-N 1 3 333.436 0.373 20 0 ECADHO CN1C[C@@H]2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@@H]2C1 ZINC000892835403 586294965 /nfs/dbraw/zinc/29/49/65/586294965.db2.gz ALUGCHFCNPZZLH-JKSUJKDBSA-N 1 3 336.480 0.977 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)CN1CCN(C)CC1 ZINC000893237586 586318546 /nfs/dbraw/zinc/31/85/46/586318546.db2.gz OWSPMDGIOUBGKH-IKGGRYGDSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)CN1CCN(C)CC1 ZINC000893237586 586318547 /nfs/dbraw/zinc/31/85/47/586318547.db2.gz OWSPMDGIOUBGKH-IKGGRYGDSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)CN1CCN(C)CC1 ZINC000893238337 586318740 /nfs/dbraw/zinc/31/87/40/586318740.db2.gz RMVPMRCBRFRVTD-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)CN1CCN(C)CC1 ZINC000893238337 586318742 /nfs/dbraw/zinc/31/87/42/586318742.db2.gz RMVPMRCBRFRVTD-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000894515134 586397168 /nfs/dbraw/zinc/39/71/68/586397168.db2.gz RJFWXHALHVABKZ-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000894515134 586397170 /nfs/dbraw/zinc/39/71/70/586397170.db2.gz RJFWXHALHVABKZ-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@]1(CNCC2CCN(S(=O)(=O)C(F)F)CC2)CC[NH2+]C1 ZINC000843126948 589051963 /nfs/dbraw/zinc/05/19/63/589051963.db2.gz YCBLPJOJGDXYID-CYBMUJFWSA-N 1 3 325.425 0.840 20 0 ECADHO C[C@@H]1[C@@H](C)N(C(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)[C@@H]1CCCN1C ZINC000898987576 586460694 /nfs/dbraw/zinc/46/06/94/586460694.db2.gz OTTXENQNODMMMQ-WCVJEAGWSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1[C@@H](C)N(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)[C@@H]1CCCN1C ZINC000898987576 586460696 /nfs/dbraw/zinc/46/06/96/586460696.db2.gz OTTXENQNODMMMQ-WCVJEAGWSA-N 1 3 336.480 0.623 20 0 ECADHO CN1CCC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000900446638 586631786 /nfs/dbraw/zinc/63/17/86/586631786.db2.gz RETLWURCUUZBCK-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900647912 586651389 /nfs/dbraw/zinc/65/13/89/586651389.db2.gz UNJFSUQYKZFNTP-UHFFFAOYSA-N 1 3 336.484 0.154 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900694371 586653427 /nfs/dbraw/zinc/65/34/27/586653427.db2.gz GQSBPEPTRKIEDX-WMZOPIPTSA-N 1 3 340.512 0.223 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900694371 586653429 /nfs/dbraw/zinc/65/34/29/586653429.db2.gz GQSBPEPTRKIEDX-WMZOPIPTSA-N 1 3 340.512 0.223 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000901107223 586693736 /nfs/dbraw/zinc/69/37/36/586693736.db2.gz VPPSDMDAIVXBNX-GVDBMIGSSA-N 1 3 348.491 0.768 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000901107223 586693737 /nfs/dbraw/zinc/69/37/37/586693737.db2.gz VPPSDMDAIVXBNX-GVDBMIGSSA-N 1 3 348.491 0.768 20 0 ECADHO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1CN(C2CCOCC2)C1 ZINC000901135588 586697408 /nfs/dbraw/zinc/69/74/08/586697408.db2.gz UVTFVUVDYQRNAZ-INIZCTEOSA-N 1 3 325.453 0.060 20 0 ECADHO COCCCNC(=O)[C@H](C)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903443627 586776329 /nfs/dbraw/zinc/77/63/29/586776329.db2.gz FVYCVLYBWMPNIR-XHSDSOJGSA-N 1 3 326.485 0.273 20 0 ECADHO Cc1cc(NC(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n(C)n1 ZINC000903508749 586780388 /nfs/dbraw/zinc/78/03/88/586780388.db2.gz TXMWWPVDJIPQRM-IYBDPMFKSA-N 1 3 346.479 0.568 20 0 ECADHO Cc1cc(NC(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n(C)n1 ZINC000903508749 586780390 /nfs/dbraw/zinc/78/03/90/586780390.db2.gz TXMWWPVDJIPQRM-IYBDPMFKSA-N 1 3 346.479 0.568 20 0 ECADHO C[C@@H]1CN(CC(=O)NCCCN2CCCCCC2=O)C[C@H]1CC[NH3+] ZINC000903497451 586780532 /nfs/dbraw/zinc/78/05/32/586780532.db2.gz XOPKZEQJZFIICZ-HZPDHXFCSA-N 1 3 338.496 0.812 20 0 ECADHO CC1(C)C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1N ZINC000903558500 586789399 /nfs/dbraw/zinc/78/93/99/586789399.db2.gz MUDPCKMVXMDCJT-HNNXBMFYSA-N 1 3 331.464 0.789 20 0 ECADHO CC1(C)C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1N ZINC000903558500 586789401 /nfs/dbraw/zinc/78/94/01/586789401.db2.gz MUDPCKMVXMDCJT-HNNXBMFYSA-N 1 3 331.464 0.789 20 0 ECADHO CS(=O)(=O)NC[C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903725309 586802183 /nfs/dbraw/zinc/80/21/83/586802183.db2.gz YQHOAMFDCBOCIS-ZNMIVQPWSA-N 1 3 331.482 0.016 20 0 ECADHO CC(C)OCCOC[C@H](O)CN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726068 586802231 /nfs/dbraw/zinc/80/22/31/586802231.db2.gz JZZSSTBTXJGKMR-ZACQAIPSSA-N 1 3 330.469 0.489 20 0 ECADHO CS(=O)(=O)NC[C@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903724446 586802393 /nfs/dbraw/zinc/80/23/93/586802393.db2.gz NQIGVBIQMFWTFQ-CABCVRRESA-N 1 3 345.509 0.406 20 0 ECADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1C[C@H](N)C(C)(C)C1 ZINC000903753132 586805269 /nfs/dbraw/zinc/80/52/69/586805269.db2.gz LODDTLJZXIRPNQ-AWEZNQCLSA-N 1 3 326.485 0.763 20 0 ECADHO COC(=O)c1cn([C@@H]2CCCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC000903757692 586812114 /nfs/dbraw/zinc/81/21/14/586812114.db2.gz FNUBCVLMURHWNJ-CPUCHLNUSA-N 1 3 349.435 0.470 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC(CN2CCOCC2)CC1 ZINC000903879754 586822633 /nfs/dbraw/zinc/82/26/33/586822633.db2.gz IWBIMJQBCFZSBO-KRWDZBQOSA-N 1 3 348.495 0.747 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000903880541 586822825 /nfs/dbraw/zinc/82/28/25/586822825.db2.gz TVFKKLDDTKOUTQ-AEFFLSMTSA-N 1 3 348.495 0.889 20 0 ECADHO CNS(=O)(=O)NC1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903928350 586826484 /nfs/dbraw/zinc/82/64/84/586826484.db2.gz XUJZKUWKTCBJKP-UHFFFAOYSA-N 1 3 338.477 0.351 20 0 ECADHO [NH3+][C@H](CC(F)F)CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000903933861 586826951 /nfs/dbraw/zinc/82/69/51/586826951.db2.gz XDMZMBNQDPGZEX-QWHCGFSZSA-N 1 3 342.438 0.981 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(N2CCNCC2)o1 ZINC000904351624 586835391 /nfs/dbraw/zinc/83/53/91/586835391.db2.gz ZUFMPOCIGLDAEH-OAHLLOKOSA-N 1 3 349.479 0.509 20 0 ECADHO C[C@@H](Cn1ncc2ccccc2c1=O)NC1CCN(CC[NH3+])CC1 ZINC000904360522 586835892 /nfs/dbraw/zinc/83/58/92/586835892.db2.gz MVHQAQJZZDFLCT-AWEZNQCLSA-N 1 3 329.448 0.798 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904512229 586839644 /nfs/dbraw/zinc/83/96/44/586839644.db2.gz WEYAMRCZLJUKBN-SJORKVTESA-N 1 3 345.447 0.790 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904512229 586839647 /nfs/dbraw/zinc/83/96/47/586839647.db2.gz WEYAMRCZLJUKBN-SJORKVTESA-N 1 3 345.447 0.790 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32CN)CC1 ZINC000905010172 586860256 /nfs/dbraw/zinc/86/02/56/586860256.db2.gz UBLDDTJBQXVVQZ-KXBFYZLASA-N 1 3 348.491 0.803 20 0 ECADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CCC[C@]12CC[NH2+]C2 ZINC000905010397 586860958 /nfs/dbraw/zinc/86/09/58/586860958.db2.gz GYCGTDQXIBRCGO-CRAIPNDOSA-N 1 3 334.464 0.428 20 0 ECADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)C[C@@]2(O)CCOC2)ccn1 ZINC000905189943 586875785 /nfs/dbraw/zinc/87/57/85/586875785.db2.gz JXNNXTBKFHOUTH-RDJZCZTQSA-N 1 3 339.436 0.014 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000905358672 586885978 /nfs/dbraw/zinc/88/59/78/586885978.db2.gz QSLGZSHXAJZRAR-ZDUSSCGKSA-N 1 3 343.497 0.480 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000906720942 586971170 /nfs/dbraw/zinc/97/11/70/586971170.db2.gz DUQQZQMAYGZUQM-UHFFFAOYSA-N 1 3 348.447 0.811 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000817913189 587391757 /nfs/dbraw/zinc/39/17/57/587391757.db2.gz HQAVUFIHVDVNHQ-INIZCTEOSA-N 1 3 332.448 0.357 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1CN1CCCCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817934208 587392676 /nfs/dbraw/zinc/39/26/76/587392676.db2.gz COHMUAJTFSMHLK-QFBILLFUSA-N 1 3 348.491 0.818 20 0 ECADHO COC[C@]1(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000844171659 589098303 /nfs/dbraw/zinc/09/83/03/589098303.db2.gz PJYGDOQBTASUOP-RDJZCZTQSA-N 1 3 325.453 0.372 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827220823 588105214 /nfs/dbraw/zinc/10/52/14/588105214.db2.gz VBPBHFWWEGUWPD-HOTGVXAUSA-N 1 3 327.469 0.524 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827220823 588105215 /nfs/dbraw/zinc/10/52/15/588105215.db2.gz VBPBHFWWEGUWPD-HOTGVXAUSA-N 1 3 327.469 0.524 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000827319915 588112384 /nfs/dbraw/zinc/11/23/84/588112384.db2.gz HCARUTNINNHXLI-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000827319300 588112435 /nfs/dbraw/zinc/11/24/35/588112435.db2.gz BIYDBPSUIROYKD-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000827319300 588112437 /nfs/dbraw/zinc/11/24/37/588112437.db2.gz BIYDBPSUIROYKD-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(n4ccnn4)C3)CC2)CC1 ZINC000847684854 589262306 /nfs/dbraw/zinc/26/23/06/589262306.db2.gz BCHHIKTXJPSPIB-UHFFFAOYSA-N 1 3 346.479 0.858 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000850833250 589386181 /nfs/dbraw/zinc/38/61/81/589386181.db2.gz IKWFNXBYGSRGOA-CQSZACIVSA-N 1 3 348.447 0.952 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000851661463 589410908 /nfs/dbraw/zinc/41/09/08/589410908.db2.gz KCIDYRWJBWEMKP-UHFFFAOYSA-N 1 3 330.392 0.142 20 0 ECADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000851689093 589414929 /nfs/dbraw/zinc/41/49/29/589414929.db2.gz JBVCXXCEXAKSFM-HUUCEWRRSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000851690650 589415295 /nfs/dbraw/zinc/41/52/95/589415295.db2.gz GXXBRAGPNTVVKQ-QQFBHYJXSA-N 1 3 338.496 0.951 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000868282950 589888433 /nfs/dbraw/zinc/88/84/33/589888433.db2.gz LQYNFQYCZXQDQH-QGZVFWFLSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000868282950 589888435 /nfs/dbraw/zinc/88/84/35/589888435.db2.gz LQYNFQYCZXQDQH-QGZVFWFLSA-N 1 3 349.523 0.892 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868367765 589897137 /nfs/dbraw/zinc/89/71/37/589897137.db2.gz WBXQLQWIMMWNAA-GOSISDBHSA-N 1 3 338.496 0.764 20 0 ECADHO C[C@@H](CNC(=O)N1CCC(N2CCN(C)CC2)CC1)[N@H+](C)C1CC1 ZINC000868371343 589897759 /nfs/dbraw/zinc/89/77/59/589897759.db2.gz BNDJYJKKKRTHDS-HNNXBMFYSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H](CNC(=O)N1CCC(N2CCN(C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000868371343 589897762 /nfs/dbraw/zinc/89/77/62/589897762.db2.gz BNDJYJKKKRTHDS-HNNXBMFYSA-N 1 3 337.512 0.891 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@H]21 ZINC000868388577 589900362 /nfs/dbraw/zinc/90/03/62/589900362.db2.gz JEENATKIXXDPBZ-IAGOWNOFSA-N 1 3 344.459 0.527 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@H]21 ZINC000868388577 589900364 /nfs/dbraw/zinc/90/03/64/589900364.db2.gz JEENATKIXXDPBZ-IAGOWNOFSA-N 1 3 344.459 0.527 20 0 ECADHO CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCC1(C)C ZINC000868407258 589902680 /nfs/dbraw/zinc/90/26/80/589902680.db2.gz UACJMYBDFLBBFU-KKUMJFAQSA-N 1 3 336.480 0.515 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CCC[C@@H](N2CCCC2)C1 ZINC000868417010 589904047 /nfs/dbraw/zinc/90/40/47/589904047.db2.gz BMTUVFNKWDGADQ-OWCLPIDISA-N 1 3 334.464 0.426 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000863761138 590035701 /nfs/dbraw/zinc/03/57/01/590035701.db2.gz DMWIKMOMYIHPJE-HOCLYGCPSA-N 1 3 332.448 0.525 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(CC)C(N)=O)CC2)CC1 ZINC000888546103 590043364 /nfs/dbraw/zinc/04/33/64/590043364.db2.gz JIQTXASCSMEVOM-SFHVURJKSA-N 1 3 338.496 0.953 20 0 ECADHO Cn1cnc2cc(CN3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)ccc21 ZINC000872256545 590108835 /nfs/dbraw/zinc/10/88/35/590108835.db2.gz WCIMRKITUWJTCW-XYPHTWIQSA-N 1 3 341.415 0.940 20 0 ECADHO CN1CCN(c2ncc(C[NH2+][C@H]3CCN(CC(C)(C)O)C3)cn2)CC1 ZINC000865660395 590153432 /nfs/dbraw/zinc/15/34/32/590153432.db2.gz ZFYUGADUHFYQME-INIZCTEOSA-N 1 3 348.495 0.163 20 0 ECADHO CN1CCN(c2ncc(CN[C@H]3CC[N@H+](CC(C)(C)O)C3)cn2)CC1 ZINC000865660395 590153434 /nfs/dbraw/zinc/15/34/34/590153434.db2.gz ZFYUGADUHFYQME-INIZCTEOSA-N 1 3 348.495 0.163 20 0 ECADHO CN1CCN(c2ncc(CN[C@H]3CC[N@@H+](CC(C)(C)O)C3)cn2)CC1 ZINC000865660395 590153437 /nfs/dbraw/zinc/15/34/37/590153437.db2.gz ZFYUGADUHFYQME-INIZCTEOSA-N 1 3 348.495 0.163 20 0 ECADHO O=C1CNCCN1[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873209233 590186658 /nfs/dbraw/zinc/18/66/58/590186658.db2.gz IRHFDMRHRIVAHL-CQSZACIVSA-N 1 3 334.489 0.790 20 0 ECADHO COc1cccc2c1OC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C2 ZINC000873223546 590186888 /nfs/dbraw/zinc/18/68/88/590186888.db2.gz QHVQFORBPLSIRO-UKRRQHHQSA-N 1 3 333.432 0.786 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)N1CCCCC1 ZINC000875106661 590271709 /nfs/dbraw/zinc/27/17/09/590271709.db2.gz IGRVPXPPWJQOLU-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)N1CCCCC1 ZINC000875106661 590271710 /nfs/dbraw/zinc/27/17/10/590271710.db2.gz IGRVPXPPWJQOLU-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000875114968 590272491 /nfs/dbraw/zinc/27/24/91/590272491.db2.gz BDSYPQJMBAVYHL-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CCC1(C)C ZINC000875422608 590301382 /nfs/dbraw/zinc/30/13/82/590301382.db2.gz RLKMFMCYEFCUJE-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCN(C)OC)CC2)CC1 ZINC000880646094 590413627 /nfs/dbraw/zinc/41/36/27/590413627.db2.gz PFAPEGMJRRSWHN-UHFFFAOYSA-N 1 3 326.485 0.792 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@H](F)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000876780977 590414181 /nfs/dbraw/zinc/41/41/81/590414181.db2.gz LHNACLJBXFLZGB-QZTJIDSGSA-N 1 3 348.466 0.998 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)c2)nn1 ZINC000877207466 590445087 /nfs/dbraw/zinc/44/50/87/590445087.db2.gz XRTWEAYSWVNUOT-DLBZAZTESA-N 1 3 340.431 0.873 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1=O ZINC000877280236 590453039 /nfs/dbraw/zinc/45/30/39/590453039.db2.gz BRVMXKVSIIDULE-NCOADZHNSA-N 1 3 348.491 0.672 20 0 ECADHO O=C1COC[C@@]2(C[NH2+]C3CCN(c4ccncc4)CC3)COCCN12 ZINC000877733324 590479963 /nfs/dbraw/zinc/47/99/63/590479963.db2.gz SORHVQXQZSJUGF-GOSISDBHSA-N 1 3 346.431 0.268 20 0 ECADHO C[NH+]1CCC(NC(=O)CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000878868762 590547937 /nfs/dbraw/zinc/54/79/37/590547937.db2.gz VVLXGQAWFAZYHX-RDJZCZTQSA-N 1 3 339.480 0.497 20 0 ECADHO COCC[N@H+](C[C@@H](O)CC1(O)CCOCC1)CC1CCN(C)CC1 ZINC000879127318 590565646 /nfs/dbraw/zinc/56/56/46/590565646.db2.gz VKIVFVONTCWJKA-KRWDZBQOSA-N 1 3 344.496 0.569 20 0 ECADHO COCC[N@@H+](C[C@@H](O)CC1(O)CCOCC1)CC1CCN(C)CC1 ZINC000879127318 590565648 /nfs/dbraw/zinc/56/56/48/590565648.db2.gz VKIVFVONTCWJKA-KRWDZBQOSA-N 1 3 344.496 0.569 20 0 ECADHO COC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCCOC1 ZINC000883186037 590608706 /nfs/dbraw/zinc/60/87/06/590608706.db2.gz JINPYOSDCKNRJG-PMPSAXMXSA-N 1 3 327.469 0.605 20 0 ECADHO COC[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCCOC1 ZINC000883186037 590608708 /nfs/dbraw/zinc/60/87/08/590608708.db2.gz JINPYOSDCKNRJG-PMPSAXMXSA-N 1 3 327.469 0.605 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCNCCC12CCC2 ZINC000883659363 590646527 /nfs/dbraw/zinc/64/65/27/590646527.db2.gz GPNIMRXUERHPJU-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000884925806 590650132 /nfs/dbraw/zinc/65/01/32/590650132.db2.gz IDYYMWGTUSWJFM-BZUAXINKSA-N 1 3 336.480 0.707 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884966139 590656238 /nfs/dbraw/zinc/65/62/38/590656238.db2.gz DJSJATGPJCUZKF-KBPBESRZSA-N 1 3 338.496 0.870 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000884966933 590656944 /nfs/dbraw/zinc/65/69/44/590656944.db2.gz XQDIXKHAEZYFAB-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCN1C ZINC000884969074 590657507 /nfs/dbraw/zinc/65/75/07/590657507.db2.gz YVVLSHXZLJNMAQ-QLFBSQMISA-N 1 3 338.496 0.822 20 0 ECADHO CO[C@H]1COCC[C@H]1N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000883770460 590664163 /nfs/dbraw/zinc/66/41/63/590664163.db2.gz REHRFNXRPSKXBG-XHSDSOJGSA-N 1 3 344.500 0.704 20 0 ECADHO CO[C@H]1COCC[C@H]1N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000883770460 590664164 /nfs/dbraw/zinc/66/41/64/590664164.db2.gz REHRFNXRPSKXBG-XHSDSOJGSA-N 1 3 344.500 0.704 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000885012853 590668827 /nfs/dbraw/zinc/66/88/27/590668827.db2.gz PZHOUMFBPTXCAS-QKPAOTATSA-N 1 3 334.464 0.330 20 0 ECADHO COC(=O)N[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000889333198 590684116 /nfs/dbraw/zinc/68/41/16/590684116.db2.gz WPFDUNNNHODWLO-KBPBESRZSA-N 1 3 343.472 0.398 20 0 ECADHO COC(=O)N[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000889333198 590684119 /nfs/dbraw/zinc/68/41/19/590684119.db2.gz WPFDUNNNHODWLO-KBPBESRZSA-N 1 3 343.472 0.398 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884193238 590769532 /nfs/dbraw/zinc/76/95/32/590769532.db2.gz ZKLBFNFCTBULKL-HNNXBMFYSA-N 1 3 331.464 0.905 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884193238 590769534 /nfs/dbraw/zinc/76/95/34/590769534.db2.gz ZKLBFNFCTBULKL-HNNXBMFYSA-N 1 3 331.464 0.905 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CN1C1CC1 ZINC000884233481 590784349 /nfs/dbraw/zinc/78/43/49/590784349.db2.gz QVOIDPRJIONTRY-DZGCQCFKSA-N 1 3 329.448 0.846 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCOC)CC1 ZINC000884233843 590785194 /nfs/dbraw/zinc/78/51/94/590785194.db2.gz AKHLMQXVFDZARK-SFHVURJKSA-N 1 3 348.491 0.804 20 0 ECADHO C[C@@H]1C[C@H](C)N(C(=O)c2ccnc(N3CCNCC3)c2)C[C@@H]1C[NH3+] ZINC000884347400 590811797 /nfs/dbraw/zinc/81/17/97/590811797.db2.gz RXEAGQAJTNDZMJ-YCPHGPKFSA-N 1 3 331.464 0.937 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884401581 590820006 /nfs/dbraw/zinc/82/00/06/590820006.db2.gz UUJKQYKHHMYQCL-UHFFFAOYSA-N 1 3 348.495 0.105 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CCC1 ZINC000884529463 590851541 /nfs/dbraw/zinc/85/15/41/590851541.db2.gz OKKDPEDIWSFHIU-UHFFFAOYSA-N 1 3 344.459 0.549 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000884546355 590853371 /nfs/dbraw/zinc/85/33/71/590853371.db2.gz IOIPXEGVVPRUDJ-UHFFFAOYSA-N 1 3 326.485 0.955 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000884576230 590861492 /nfs/dbraw/zinc/86/14/92/590861492.db2.gz CFENMSDABVNOFV-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)N(C)C1CC1 ZINC000884616764 590872824 /nfs/dbraw/zinc/87/28/24/590872824.db2.gz BHPKLOMIQMWKFE-CYBMUJFWSA-N 1 3 344.459 0.547 20 0 ECADHO CN(C)CCn1cc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cn1 ZINC000886935714 590906908 /nfs/dbraw/zinc/90/69/08/590906908.db2.gz UVZRAGWFSYXZJU-NSHDSACASA-N 1 3 330.383 0.811 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)CC[NH2+]1 ZINC000884718663 590907817 /nfs/dbraw/zinc/90/78/17/590907817.db2.gz LXDBXOWWXLCJBA-RBSFLKMASA-N 1 3 345.447 0.375 20 0 ECADHO CCN(C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000886994002 590914809 /nfs/dbraw/zinc/91/48/09/590914809.db2.gz OOIZJGPUCWBSDU-OAHLLOKOSA-N 1 3 348.447 0.776 20 0 ECADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CC(=O)NC1CCN(C)CC1 ZINC000887134722 590947695 /nfs/dbraw/zinc/94/76/95/590947695.db2.gz PDDHVQFHMKUAHD-OAHLLOKOSA-N 1 3 331.464 0.803 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000887753881 590999229 /nfs/dbraw/zinc/99/92/29/590999229.db2.gz PJOHNPLSAUZTSB-KFWWJZLASA-N 1 3 337.468 0.375 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000887753881 590999233 /nfs/dbraw/zinc/99/92/33/590999233.db2.gz PJOHNPLSAUZTSB-KFWWJZLASA-N 1 3 337.468 0.375 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([NH2+]C3CCC3)CC2)CC1=O ZINC000889832881 591104120 /nfs/dbraw/zinc/10/41/20/591104120.db2.gz SGZIFRQLEXEDAK-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000930203446 611400393 /nfs/dbraw/zinc/40/03/93/611400393.db2.gz VCWOLHVMBZWHQY-HDMKZQKVSA-N 1 3 336.480 0.387 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000930203446 611400395 /nfs/dbraw/zinc/40/03/95/611400395.db2.gz VCWOLHVMBZWHQY-HDMKZQKVSA-N 1 3 336.480 0.387 20 0 ECADHO COCC[N@H+](C)CCCN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000925287614 611465466 /nfs/dbraw/zinc/46/54/66/611465466.db2.gz RHKRZNYIOJLKHO-CQSZACIVSA-N 1 3 326.441 0.361 20 0 ECADHO COCC[N@@H+](C)CCCN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000925287614 611465468 /nfs/dbraw/zinc/46/54/68/611465468.db2.gz RHKRZNYIOJLKHO-CQSZACIVSA-N 1 3 326.441 0.361 20 0 ECADHO CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817308 611503372 /nfs/dbraw/zinc/50/33/72/611503372.db2.gz OMJDJXDAAAXMIP-ZWKOTPCHSA-N 1 3 346.475 0.475 20 0 ECADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCN1Cc2ccccc2OCC1=O ZINC000925805990 611502325 /nfs/dbraw/zinc/50/23/25/611502325.db2.gz NJVHPCJSFFUQOZ-IMJJTQAJSA-N 1 3 333.432 0.750 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000931898321 611583645 /nfs/dbraw/zinc/58/36/45/611583645.db2.gz FOKQSPZNGXVBHG-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000931898321 611583648 /nfs/dbraw/zinc/58/36/48/611583648.db2.gz FOKQSPZNGXVBHG-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000926292970 608783163 /nfs/dbraw/zinc/78/31/63/608783163.db2.gz IMGOEEIOIGPNBD-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000066246627 608939391 /nfs/dbraw/zinc/93/93/91/608939391.db2.gz DLHYRZIMYSTSFL-KBPBESRZSA-N 1 3 325.457 0.012 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000937949711 609415927 /nfs/dbraw/zinc/41/59/27/609415927.db2.gz WIXXQJCMQLQHFK-JYJNAYRXSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000937949711 609415928 /nfs/dbraw/zinc/41/59/28/609415928.db2.gz WIXXQJCMQLQHFK-JYJNAYRXSA-N 1 3 338.496 0.917 20 0 ECADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928558352 611699306 /nfs/dbraw/zinc/69/93/06/611699306.db2.gz BKWUOKWMOJZKQB-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928558352 611699307 /nfs/dbraw/zinc/69/93/07/611699307.db2.gz BKWUOKWMOJZKQB-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928558352 611699311 /nfs/dbraw/zinc/69/93/11/611699311.db2.gz BKWUOKWMOJZKQB-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928558352 611699315 /nfs/dbraw/zinc/69/93/15/611699315.db2.gz BKWUOKWMOJZKQB-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO O=C(N[C@H](CO)CN1CCCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000908202568 609647191 /nfs/dbraw/zinc/64/71/91/609647191.db2.gz JNBDEYHQCQQWGA-HKUYNNGSSA-N 1 3 347.459 0.196 20 0 ECADHO O=C(N[C@H](CO)CN1CCCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000908202568 609647192 /nfs/dbraw/zinc/64/71/92/609647192.db2.gz JNBDEYHQCQQWGA-HKUYNNGSSA-N 1 3 347.459 0.196 20 0 ECADHO CC(C)N1CC[NH+](CCC(=O)N2CC(CN3CCOCC3)C2)CC1 ZINC000908334179 609650983 /nfs/dbraw/zinc/65/09/83/609650983.db2.gz KYIDIUYJKHRMTI-UHFFFAOYSA-N 1 3 338.496 0.193 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000938307663 609687939 /nfs/dbraw/zinc/68/79/39/609687939.db2.gz BEZJSZSYWSDJMT-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000910972065 609786052 /nfs/dbraw/zinc/78/60/52/609786052.db2.gz OXPPGSIHJWYQAX-CVEARBPZSA-N 1 3 346.475 0.471 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911161784 609817756 /nfs/dbraw/zinc/81/77/56/609817756.db2.gz MKZNXAZJJPLXJD-CRAIPNDOSA-N 1 3 336.480 0.722 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000911325145 609848555 /nfs/dbraw/zinc/84/85/55/609848555.db2.gz PGACYGCYXSZKHT-JYJNAYRXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911332138 609850013 /nfs/dbraw/zinc/85/00/13/609850013.db2.gz OAJYXJGGONGLLS-OWCLPIDISA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000938549392 609864172 /nfs/dbraw/zinc/86/41/72/609864172.db2.gz PUKQQHJSQVBMEZ-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000938549392 609864174 /nfs/dbraw/zinc/86/41/74/609864174.db2.gz PUKQQHJSQVBMEZ-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517755 609890190 /nfs/dbraw/zinc/89/01/90/609890190.db2.gz LWSXGKSGSZNUHW-DJIMGWMZSA-N 1 3 344.459 0.716 20 0 ECADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000911519484 609890863 /nfs/dbraw/zinc/89/08/63/609890863.db2.gz IRHUMGSOFWKURJ-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)o1 ZINC000911546240 609892468 /nfs/dbraw/zinc/89/24/68/609892468.db2.gz PKDRQDMQFOPPCL-VNQPRFMTSA-N 1 3 348.447 0.487 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC000912304307 609945738 /nfs/dbraw/zinc/94/57/38/609945738.db2.gz ONISWZUUHPYBCM-YOEHRIQHSA-N 1 3 347.463 0.963 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC000912304307 609945739 /nfs/dbraw/zinc/94/57/39/609945739.db2.gz ONISWZUUHPYBCM-YOEHRIQHSA-N 1 3 347.463 0.963 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000912460126 609958908 /nfs/dbraw/zinc/95/89/08/609958908.db2.gz BWDBGIFXVLRBOO-OAHLLOKOSA-N 1 3 326.485 0.587 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000912460126 609958909 /nfs/dbraw/zinc/95/89/09/609958909.db2.gz BWDBGIFXVLRBOO-OAHLLOKOSA-N 1 3 326.485 0.587 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000938915935 610042854 /nfs/dbraw/zinc/04/28/54/610042854.db2.gz PYEAEYVOQWRTAH-HOTGVXAUSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC000939138264 610090518 /nfs/dbraw/zinc/09/05/18/610090518.db2.gz VFNFCKBKEMCBOG-HUUCEWRRSA-N 1 3 334.468 0.447 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000939914102 610166849 /nfs/dbraw/zinc/16/68/49/610166849.db2.gz ORRIXQNOHUSRIL-DZKIICNBSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000939914102 610166850 /nfs/dbraw/zinc/16/68/50/610166850.db2.gz ORRIXQNOHUSRIL-DZKIICNBSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCc1cnn(C)c1 ZINC000939423502 610191819 /nfs/dbraw/zinc/19/18/19/610191819.db2.gz QMWJDIAQLNSJPJ-RHSMWYFYSA-N 1 3 349.479 0.467 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC000941994138 610600248 /nfs/dbraw/zinc/60/02/48/610600248.db2.gz BETMOTMQCDCIRB-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943380601 610814464 /nfs/dbraw/zinc/81/44/64/610814464.db2.gz FYQOMBBZLOWOHF-GJZGRUSLSA-N 1 3 347.463 0.791 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943380601 610814465 /nfs/dbraw/zinc/81/44/65/610814465.db2.gz FYQOMBBZLOWOHF-GJZGRUSLSA-N 1 3 347.463 0.791 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933853155 611753998 /nfs/dbraw/zinc/75/39/98/611753998.db2.gz IRMSNFJETBZOLG-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO O=C(N1CCNCC1)N1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923397006 611237676 /nfs/dbraw/zinc/23/76/76/611237676.db2.gz AOSFPBHTYPWPBO-ALOPSCKCSA-N 1 3 335.496 0.550 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@H](CC[NH3+])C2)C1 ZINC000923481816 611249925 /nfs/dbraw/zinc/24/99/25/611249925.db2.gz MBVJFXJQGUQSRC-HOTGVXAUSA-N 1 3 326.485 0.130 20 0 ECADHO CCOC(=O)N1CCC(NC(=O)CN2CC[C@H](CC[NH3+])C2)CC1 ZINC000923484236 611250433 /nfs/dbraw/zinc/25/04/33/611250433.db2.gz IKJZDIHVMRQVTK-ZDUSSCGKSA-N 1 3 326.441 0.394 20 0 ECADHO O=C1NC[C@@H](O)CC12CCN(Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000923526967 611255719 /nfs/dbraw/zinc/25/57/19/611255719.db2.gz XBLWJCKGLDWPQF-KRWDZBQOSA-N 1 3 329.444 0.795 20 0 ECADHO COC(=O)[C@@H]1CCN(CCN2CC[NH2+]CC2)[C@@H]([C@@H]2CCCO2)C1 ZINC000923554751 611260094 /nfs/dbraw/zinc/26/00/94/611260094.db2.gz OXVWUNBPXBAYJE-OAGGEKHMSA-N 1 3 325.453 0.324 20 0 ECADHO CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C)CC[C@@H]3C2)C1=O ZINC000946517161 611296006 /nfs/dbraw/zinc/29/60/06/611296006.db2.gz AGEYMQFIIJBQFI-VVLHAWIVSA-N 1 3 348.491 0.482 20 0 ECADHO CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C)CC[C@@H]3C2)C1=O ZINC000946517161 611296007 /nfs/dbraw/zinc/29/60/07/611296007.db2.gz AGEYMQFIIJBQFI-VVLHAWIVSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000929713937 611784703 /nfs/dbraw/zinc/78/47/03/611784703.db2.gz ZIJXHGONLKPQRX-MRXNPFEDSA-N 1 3 347.463 0.401 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000950785995 611908521 /nfs/dbraw/zinc/90/85/21/611908521.db2.gz MDCNJUWWYRTPFH-HNNXBMFYSA-N 1 3 345.447 0.545 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC000950821650 611925486 /nfs/dbraw/zinc/92/54/86/611925486.db2.gz WJGNPRLABDKWOQ-HZPDHXFCSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000951426023 612225560 /nfs/dbraw/zinc/22/55/60/612225560.db2.gz KHOZKTNKNZVHEF-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000954502504 612337648 /nfs/dbraw/zinc/33/76/48/612337648.db2.gz FVLQSGZFYQOOTC-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954502504 612337653 /nfs/dbraw/zinc/33/76/53/612337653.db2.gz FVLQSGZFYQOOTC-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000953899670 612408988 /nfs/dbraw/zinc/40/89/88/612408988.db2.gz MFEZXFVLUWEBEG-OAHLLOKOSA-N 1 3 334.464 0.378 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)CN2CCC[C@H]2C)C1)[NH+](C)C ZINC000955338994 612458382 /nfs/dbraw/zinc/45/83/82/612458382.db2.gz PQBGBKWNMGBRET-PBHICJAKSA-N 1 3 338.496 0.726 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000953947413 612476404 /nfs/dbraw/zinc/47/64/04/612476404.db2.gz ADBVZPYQRYYMPZ-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000953947413 612476407 /nfs/dbraw/zinc/47/64/07/612476407.db2.gz ADBVZPYQRYYMPZ-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000951731680 612523828 /nfs/dbraw/zinc/52/38/28/612523828.db2.gz GIDWLMVIGPJJJE-VGWMRTNUSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000951731680 612523832 /nfs/dbraw/zinc/52/38/32/612523832.db2.gz GIDWLMVIGPJJJE-VGWMRTNUSA-N 1 3 338.496 0.774 20 0 ECADHO CN(C(=O)[C@@H]1CCCCN1C)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000954707606 612576488 /nfs/dbraw/zinc/57/64/88/612576488.db2.gz XDTRUNLUIXLAOP-JKSUJKDBSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954835979 612729500 /nfs/dbraw/zinc/72/95/00/612729500.db2.gz BTEHYGXFPKJNLS-ZFWWWQNUSA-N 1 3 347.463 0.742 20 0 ECADHO CC1CCN(CC(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000954315176 612844305 /nfs/dbraw/zinc/84/43/05/612844305.db2.gz CKTHPQYIWHABJO-OAHLLOKOSA-N 1 3 336.480 0.339 20 0 ECADHO CC1CCN(CC(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000954315176 612844307 /nfs/dbraw/zinc/84/43/07/612844307.db2.gz CKTHPQYIWHABJO-OAHLLOKOSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000954325288 612856658 /nfs/dbraw/zinc/85/66/58/612856658.db2.gz FQBQDOYVSHOXNS-RDJZCZTQSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000954325288 612856660 /nfs/dbraw/zinc/85/66/60/612856660.db2.gz FQBQDOYVSHOXNS-RDJZCZTQSA-N 1 3 348.491 0.768 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000956374887 612861653 /nfs/dbraw/zinc/86/16/53/612861653.db2.gz JRKXHAVNZSMJFZ-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000956374887 612861654 /nfs/dbraw/zinc/86/16/54/612861654.db2.gz JRKXHAVNZSMJFZ-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(N)ncn4)C3)O2)CC1 ZINC001164896157 721430987 /nfs/dbraw/zinc/43/09/87/721430987.db2.gz QSMMLEMDZVMXJR-CRAIPNDOSA-N 1 3 346.479 0.824 20 0 ECADHO Cc1nccnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC000969135413 731517729 /nfs/dbraw/zinc/51/77/29/731517729.db2.gz ISWWJHLAWSKUDG-HUUCEWRRSA-N 1 3 340.431 0.935 20 0 ECADHO CN1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C2)CC1=O ZINC000969135628 731517780 /nfs/dbraw/zinc/51/77/80/731517780.db2.gz LWOPIROCXLUJJF-MRXNPFEDSA-N 1 3 334.464 0.451 20 0 ECADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000969152485 731535378 /nfs/dbraw/zinc/53/53/78/731535378.db2.gz VTYALHDXRQDIPK-UKRRQHHQSA-N 1 3 336.480 0.718 20 0 ECADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000969152485 731535380 /nfs/dbraw/zinc/53/53/80/731535380.db2.gz VTYALHDXRQDIPK-UKRRQHHQSA-N 1 3 336.480 0.718 20 0 ECADHO CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2)C1CC1 ZINC000969208597 731599366 /nfs/dbraw/zinc/59/93/66/731599366.db2.gz VHGLODYVNOEAQV-NCOADZHNSA-N 1 3 348.491 0.480 20 0 ECADHO CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2)C1CC1 ZINC000969208597 731599370 /nfs/dbraw/zinc/59/93/70/731599370.db2.gz VHGLODYVNOEAQV-NCOADZHNSA-N 1 3 348.491 0.480 20 0 ECADHO C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000969588799 731986918 /nfs/dbraw/zinc/98/69/18/731986918.db2.gz UFRAAJKAPPNYJY-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000969594970 731992496 /nfs/dbraw/zinc/99/24/96/731992496.db2.gz CSKNSHYVOYJJRE-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(CCc2cnn(C)c2)C1 ZINC000969678734 732043227 /nfs/dbraw/zinc/04/32/27/732043227.db2.gz XUECNHYZAFMLPB-KDOFPFPSSA-N 1 3 345.491 0.741 20 0 ECADHO Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1=O ZINC000969950414 732552561 /nfs/dbraw/zinc/55/25/61/732552561.db2.gz HRWCLYDIRXUWFC-MRXNPFEDSA-N 1 3 346.475 0.808 20 0 ECADHO CN1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC000969965524 732563582 /nfs/dbraw/zinc/56/35/82/732563582.db2.gz RRVOAURTOTWZTH-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO COC[C@H](O)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232884 733077577 /nfs/dbraw/zinc/07/75/77/733077577.db2.gz SUSURFCZTMTBKU-LSDHHAIUSA-N 1 3 327.469 0.212 20 0 ECADHO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167237185 733083779 /nfs/dbraw/zinc/08/37/79/733083779.db2.gz WSAGAPQSKWRYGO-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167241038 733087953 /nfs/dbraw/zinc/08/79/53/733087953.db2.gz YPLHGAAYQWOCRH-AWEZNQCLSA-N 1 3 340.512 0.975 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)CC1 ZINC000970333852 733376414 /nfs/dbraw/zinc/37/64/14/733376414.db2.gz AWKRXBMLFDFSCB-QGZVFWFLSA-N 1 3 346.475 0.808 20 0 ECADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104256878 733417556 /nfs/dbraw/zinc/41/75/56/733417556.db2.gz UDNGILSJWCNOMU-MGPQQGTHSA-N 1 3 330.448 0.226 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)CC1 ZINC000970384545 733452892 /nfs/dbraw/zinc/45/28/92/733452892.db2.gz GAQPXQNHDUBLOH-CVEARBPZSA-N 1 3 336.480 0.576 20 0 ECADHO Cc1ncc(CN[C@@H]2CCN(C(=O)[C@H](C)CN3CCOCC3)C2)o1 ZINC000970728111 733883492 /nfs/dbraw/zinc/88/34/92/733883492.db2.gz VAWFRNYPDLMRID-UKRRQHHQSA-N 1 3 336.436 0.642 20 0 ECADHO Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)CN3CCOCC3)C2)o1 ZINC000970728111 733883494 /nfs/dbraw/zinc/88/34/94/733883494.db2.gz VAWFRNYPDLMRID-UKRRQHHQSA-N 1 3 336.436 0.642 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C[C@H]2CCc3ncnn32)C1 ZINC000970744591 733901280 /nfs/dbraw/zinc/90/12/80/733901280.db2.gz GMVLIDPAGLZKSN-UKRRQHHQSA-N 1 3 344.463 0.298 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1)N(C)C ZINC001104319463 734292539 /nfs/dbraw/zinc/29/25/39/734292539.db2.gz UWBIZDNZNPRMQG-ZACQAIPSSA-N 1 3 343.512 0.656 20 0 ECADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322668 734301678 /nfs/dbraw/zinc/30/16/78/734301678.db2.gz WWLOWVNDLDIYSI-FMKPAKJESA-N 1 3 326.485 0.393 20 0 ECADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CCC1 ZINC000971688265 734949165 /nfs/dbraw/zinc/94/91/65/734949165.db2.gz VJOSZWNOZRXIEY-QGZVFWFLSA-N 1 3 346.475 0.902 20 0 ECADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CCC1 ZINC000971688265 734949168 /nfs/dbraw/zinc/94/91/68/734949168.db2.gz VJOSZWNOZRXIEY-QGZVFWFLSA-N 1 3 346.475 0.902 20 0 ECADHO CC1CCN(CC(=O)NCCC2(C[NH2+]Cc3cnnn3C)CC2)CC1 ZINC001167522932 735565304 /nfs/dbraw/zinc/56/53/04/735565304.db2.gz HVKVPSGMPMTMFQ-UHFFFAOYSA-N 1 3 348.495 0.923 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC001006413478 751364987 /nfs/dbraw/zinc/36/49/87/751364987.db2.gz ZVVGFIDIJJWTQE-MRXNPFEDSA-N 1 3 346.475 0.760 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC001006413478 751364994 /nfs/dbraw/zinc/36/49/94/751364994.db2.gz ZVVGFIDIJJWTQE-MRXNPFEDSA-N 1 3 346.475 0.760 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001167634968 736184678 /nfs/dbraw/zinc/18/46/78/736184678.db2.gz IVPZNJQVWJNGKQ-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972482790 736316644 /nfs/dbraw/zinc/31/66/44/736316644.db2.gz MFNSYZQALPYPOC-MRXNPFEDSA-N 1 3 334.468 0.543 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001023130858 736525853 /nfs/dbraw/zinc/52/58/53/736525853.db2.gz JIWSLSYEARRHDT-QXSJWSMHSA-N 1 3 336.480 0.718 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001067462002 737198233 /nfs/dbraw/zinc/19/82/33/737198233.db2.gz XEDVFQQECZGYAX-CABCVRRESA-N 1 3 326.485 0.585 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001067462002 737198235 /nfs/dbraw/zinc/19/82/35/737198235.db2.gz XEDVFQQECZGYAX-CABCVRRESA-N 1 3 326.485 0.585 20 0 ECADHO CN(C)C1(C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001067462296 737303624 /nfs/dbraw/zinc/30/36/24/737303624.db2.gz GXOKRZIAUZZKOK-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)C1(C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001067462296 737303629 /nfs/dbraw/zinc/30/36/29/737303629.db2.gz GXOKRZIAUZZKOK-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)n1 ZINC001087257026 737410971 /nfs/dbraw/zinc/41/09/71/737410971.db2.gz WQSHPAFQGMXHGQ-OCCSQVGLSA-N 1 3 333.436 0.782 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)n1 ZINC001087257026 737410972 /nfs/dbraw/zinc/41/09/72/737410972.db2.gz WQSHPAFQGMXHGQ-OCCSQVGLSA-N 1 3 333.436 0.782 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001024016369 737616090 /nfs/dbraw/zinc/61/60/90/737616090.db2.gz DPHOQFJWSZOLJT-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCCC3)C2)nn1 ZINC001024266755 737863516 /nfs/dbraw/zinc/86/35/16/737863516.db2.gz SUMKVOKEYWSXID-OAHLLOKOSA-N 1 3 347.463 0.909 20 0 ECADHO COc1cc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001024263286 737870303 /nfs/dbraw/zinc/87/03/03/737870303.db2.gz BYKNNNLCMZOMKU-KBPBESRZSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001024263286 737870307 /nfs/dbraw/zinc/87/03/07/737870307.db2.gz BYKNNNLCMZOMKU-KBPBESRZSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001024263289 737870504 /nfs/dbraw/zinc/87/05/04/737870504.db2.gz BYKNNNLCMZOMKU-ZIAGYGMSSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001024263289 737870506 /nfs/dbraw/zinc/87/05/06/737870506.db2.gz BYKNNNLCMZOMKU-ZIAGYGMSSA-N 1 3 336.436 0.963 20 0 ECADHO CN(CC(=O)NCC1CC([NH2+]Cc2cnnn2C)C1)CC(C)(C)C ZINC001100681188 738081231 /nfs/dbraw/zinc/08/12/31/738081231.db2.gz AGCITDSQVYQEKF-UHFFFAOYSA-N 1 3 336.484 0.777 20 0 ECADHO CC[C@H]([NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001100681435 738085615 /nfs/dbraw/zinc/08/56/15/738085615.db2.gz JJHXHCVEQCZOPZ-RUXDESIVSA-N 1 3 326.485 0.713 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001020413686 751563109 /nfs/dbraw/zinc/56/31/09/751563109.db2.gz PZCQJBKQLMGWMI-KKUMJFAQSA-N 1 3 347.463 0.708 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001020413686 751563111 /nfs/dbraw/zinc/56/31/11/751563111.db2.gz PZCQJBKQLMGWMI-KKUMJFAQSA-N 1 3 347.463 0.708 20 0 ECADHO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]23)cn1 ZINC001026364934 741064805 /nfs/dbraw/zinc/06/48/05/741064805.db2.gz OFWGHTYRDZZXAR-VNQPRFMTSA-N 1 3 328.420 0.713 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000974224610 741134975 /nfs/dbraw/zinc/13/49/75/741134975.db2.gz YRUMHVFAUVAVJQ-XHSDSOJGSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105058476 741262787 /nfs/dbraw/zinc/26/27/87/741262787.db2.gz HZGIKIULRMCHQF-RHSMWYFYSA-N 1 3 346.475 0.921 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)nn1 ZINC001026734239 741738507 /nfs/dbraw/zinc/73/85/07/741738507.db2.gz LRBPIOBETWZTEZ-HIFRSBDPSA-N 1 3 333.436 0.518 20 0 ECADHO C[NH+](C)CC1(C(=O)N2CC(n3cc(CNCC4CCC4)nn3)C2)CC1 ZINC001105313822 741741393 /nfs/dbraw/zinc/74/13/93/741741393.db2.gz IRHRSGVLESDVKW-UHFFFAOYSA-N 1 3 346.479 0.893 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](CNCc2cnns2)C1 ZINC001026846839 741953931 /nfs/dbraw/zinc/95/39/31/741953931.db2.gz FGLVTPMCVAEEID-WFASDCNBSA-N 1 3 335.477 0.818 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026874867 742007205 /nfs/dbraw/zinc/00/72/05/742007205.db2.gz BNMFJGQIMZSVLP-ZBFHGGJFSA-N 1 3 334.468 0.628 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026874867 742007209 /nfs/dbraw/zinc/00/72/09/742007209.db2.gz BNMFJGQIMZSVLP-ZBFHGGJFSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000893392476 742017236 /nfs/dbraw/zinc/01/72/36/742017236.db2.gz IKQIVKQRMQTAIF-ZFWWWQNUSA-N 1 3 341.477 0.935 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001026887038 742042825 /nfs/dbraw/zinc/04/28/25/742042825.db2.gz KIDBGXHITMHOQT-CZUORRHYSA-N 1 3 334.468 0.576 20 0 ECADHO Cc1nnc(CNC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)[nH]1 ZINC001026913051 742074269 /nfs/dbraw/zinc/07/42/69/742074269.db2.gz XRZWISZEQATBGN-OAHLLOKOSA-N 1 3 346.479 0.927 20 0 ECADHO Cn1cc(CNC[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)nn1 ZINC001026972432 742218496 /nfs/dbraw/zinc/21/84/96/742218496.db2.gz GYZSQCNIFNSYCV-RHSMWYFYSA-N 1 3 346.479 0.628 20 0 ECADHO Cn1cc(CNC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)nn1 ZINC001026972433 742218628 /nfs/dbraw/zinc/21/86/28/742218628.db2.gz GYZSQCNIFNSYCV-WMLDXEAASA-N 1 3 346.479 0.628 20 0 ECADHO COCCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974825192 742223655 /nfs/dbraw/zinc/22/36/55/742223655.db2.gz KGPJQKZFFWVGGA-QRHJNKNDSA-N 1 3 337.464 0.323 20 0 ECADHO COCCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974825192 742223659 /nfs/dbraw/zinc/22/36/59/742223659.db2.gz KGPJQKZFFWVGGA-QRHJNKNDSA-N 1 3 337.464 0.323 20 0 ECADHO CCn1nncc1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997009039 743124184 /nfs/dbraw/zinc/12/41/84/743124184.db2.gz XIJCIZCSWGIJGY-CQSZACIVSA-N 1 3 334.468 0.720 20 0 ECADHO CCn1nncc1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997009036 743124780 /nfs/dbraw/zinc/12/47/80/743124780.db2.gz XIJCIZCSWGIJGY-AWEZNQCLSA-N 1 3 334.468 0.720 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001027218174 743196593 /nfs/dbraw/zinc/19/65/93/743196593.db2.gz ZCGAAAWBWSNKLM-HOTGVXAUSA-N 1 3 336.480 0.437 20 0 ECADHO CC1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCN(C)C3=O)CC2)CC1 ZINC000997114784 743252095 /nfs/dbraw/zinc/25/20/95/743252095.db2.gz HCDWPAHOUBFDFV-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000997306670 743469858 /nfs/dbraw/zinc/46/98/58/743469858.db2.gz HVFKOPOPVOULQX-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997312987 743478506 /nfs/dbraw/zinc/47/85/06/743478506.db2.gz LKQPXURMLSQTMH-CYBMUJFWSA-N 1 3 337.424 0.119 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)c1 ZINC000997359601 743531756 /nfs/dbraw/zinc/53/17/56/743531756.db2.gz IGIHEBTWZZWVIA-KRWDZBQOSA-N 1 3 344.459 0.831 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001020584969 751838982 /nfs/dbraw/zinc/83/89/82/751838982.db2.gz ABRDNUYHHIFKSJ-BPUTZDHNSA-N 1 3 332.448 0.606 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020592951 751866838 /nfs/dbraw/zinc/86/68/38/751866838.db2.gz SWBKQDLKKNFBCC-NMFUWQPSSA-N 1 3 334.468 0.541 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020592951 751866847 /nfs/dbraw/zinc/86/68/47/751866847.db2.gz SWBKQDLKKNFBCC-NMFUWQPSSA-N 1 3 334.468 0.541 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000998173988 744028689 /nfs/dbraw/zinc/02/86/89/744028689.db2.gz NVOLFVSCHGXJMM-KKUMJFAQSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000998173988 744028694 /nfs/dbraw/zinc/02/86/94/744028694.db2.gz NVOLFVSCHGXJMM-KKUMJFAQSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000998932526 744412299 /nfs/dbraw/zinc/41/22/99/744412299.db2.gz ACIIHWYYAUIBJI-UHFFFAOYSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000976866220 744420166 /nfs/dbraw/zinc/42/01/66/744420166.db2.gz ATSKZQZZAGJNNS-XHWCBRGXSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000976866220 744420168 /nfs/dbraw/zinc/42/01/68/744420168.db2.gz ATSKZQZZAGJNNS-XHWCBRGXSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)Cc1c[nH]cn1 ZINC001020633012 751919422 /nfs/dbraw/zinc/91/94/22/751919422.db2.gz CVCWFCGUHRRLHH-RCBQFDQVSA-N 1 3 345.447 0.400 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N2CCCC2)C1 ZINC000976947572 744520854 /nfs/dbraw/zinc/52/08/54/744520854.db2.gz NEGXGQSCVRDTQY-WCVJEAGWSA-N 1 3 348.491 0.386 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N2CCCC2)C1 ZINC000976947572 744520857 /nfs/dbraw/zinc/52/08/57/744520857.db2.gz NEGXGQSCVRDTQY-WCVJEAGWSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)CC[N@@H+]1C ZINC000999295168 744605783 /nfs/dbraw/zinc/60/57/83/744605783.db2.gz YJOQVVMUTXYGBD-HESLUPGFSA-N 1 3 334.468 0.624 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)CC[N@H+]1C ZINC000999295168 744605785 /nfs/dbraw/zinc/60/57/85/744605785.db2.gz YJOQVVMUTXYGBD-HESLUPGFSA-N 1 3 334.468 0.624 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000999369799 744660655 /nfs/dbraw/zinc/66/06/55/744660655.db2.gz KOUXJLYEFALKCE-AEFFLSMTSA-N 1 3 346.475 0.806 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)n1 ZINC000999409206 744681959 /nfs/dbraw/zinc/68/19/59/744681959.db2.gz PKDKUFPHPOQEDL-IGEOTXOUSA-N 1 3 348.495 0.816 20 0 ECADHO C[C@H](C(N)=O)N(C)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480073 744725122 /nfs/dbraw/zinc/72/51/22/744725122.db2.gz XSRWVDMNAOYKRQ-OCCSQVGLSA-N 1 3 329.404 0.745 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000977203648 744760828 /nfs/dbraw/zinc/76/08/28/744760828.db2.gz POXBJUSIKGLCPT-RFBLXINOSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000977203648 744760830 /nfs/dbraw/zinc/76/08/30/744760830.db2.gz POXBJUSIKGLCPT-RFBLXINOSA-N 1 3 348.491 0.241 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CN(CCCO)CC2(C)C)cn1 ZINC000977306650 744850851 /nfs/dbraw/zinc/85/08/51/744850851.db2.gz ZBZYHVXUJNBPBU-HNNXBMFYSA-N 1 3 337.468 0.267 20 0 ECADHO Cc1ncc(CNC2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000999708563 744857961 /nfs/dbraw/zinc/85/79/61/744857961.db2.gz NAOIGPRBDPNQNI-UHFFFAOYSA-N 1 3 329.448 0.960 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)C1=O ZINC000999834836 744929944 /nfs/dbraw/zinc/92/99/44/744929944.db2.gz XHTDKPZSNJJIDW-GPANFISMSA-N 1 3 336.480 0.671 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999846441 744939375 /nfs/dbraw/zinc/93/93/75/744939375.db2.gz DVLVWZCLAPNKSV-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999846441 744939376 /nfs/dbraw/zinc/93/93/76/744939376.db2.gz DVLVWZCLAPNKSV-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999850119 744943698 /nfs/dbraw/zinc/94/36/98/744943698.db2.gz WDPQFDCCCLFNNI-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999850119 744943701 /nfs/dbraw/zinc/94/37/01/744943701.db2.gz WDPQFDCCCLFNNI-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020676197 751960065 /nfs/dbraw/zinc/96/00/65/751960065.db2.gz VZZVAPFQJFKTJE-BZUAXINKSA-N 1 3 336.480 0.718 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N(C)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000999871040 744973458 /nfs/dbraw/zinc/97/34/58/744973458.db2.gz SOABEHZMGGIPIE-VMBOVVBDSA-N 1 3 344.459 0.829 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000999906183 745044641 /nfs/dbraw/zinc/04/46/41/745044641.db2.gz UOBTXZIFOQJLSM-ZFWWWQNUSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000999906183 745044648 /nfs/dbraw/zinc/04/46/48/745044648.db2.gz UOBTXZIFOQJLSM-ZFWWWQNUSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101437 745073647 /nfs/dbraw/zinc/07/36/47/745073647.db2.gz GMOSCNKOFNBVPG-JJRVBVJISA-N 1 3 348.495 0.872 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101437 745073652 /nfs/dbraw/zinc/07/36/52/745073652.db2.gz GMOSCNKOFNBVPG-JJRVBVJISA-N 1 3 348.495 0.872 20 0 ECADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)o1 ZINC000983715825 745092483 /nfs/dbraw/zinc/09/24/83/745092483.db2.gz KRCGBCHMKIHZDJ-QBYUYEEZSA-N 1 3 348.447 0.831 20 0 ECADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)o1 ZINC000983715825 745092490 /nfs/dbraw/zinc/09/24/90/745092490.db2.gz KRCGBCHMKIHZDJ-QBYUYEEZSA-N 1 3 348.447 0.831 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001029108045 745100578 /nfs/dbraw/zinc/10/05/78/745100578.db2.gz VWQSVDBMNILLRB-CXAGYDPISA-N 1 3 348.495 0.872 20 0 ECADHO C[C@@H]([NH2+][C@@H]1CCCNC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150834 745172813 /nfs/dbraw/zinc/17/28/13/745172813.db2.gz UQQOPIRAVNHSAD-IUODEOHRSA-N 1 3 333.436 0.448 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@H](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC001029152810 745174912 /nfs/dbraw/zinc/17/49/12/745174912.db2.gz JXCOCVXLLNIFTQ-CZUORRHYSA-N 1 3 347.463 0.790 20 0 ECADHO CCN1CC[C@H](N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000079065 745247718 /nfs/dbraw/zinc/24/77/18/745247718.db2.gz TWJWBWAJDMOUEN-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCC[C@@H](NCC(=O)N3CCCC3)C2)CC1 ZINC001000080869 745249149 /nfs/dbraw/zinc/24/91/49/745249149.db2.gz IACWCKZYVSCEAC-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000208561 745348399 /nfs/dbraw/zinc/34/83/99/745348399.db2.gz MCTGJCMZILRWMZ-WBMJQRKESA-N 1 3 328.432 0.265 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000208561 745348404 /nfs/dbraw/zinc/34/84/04/745348404.db2.gz MCTGJCMZILRWMZ-WBMJQRKESA-N 1 3 328.432 0.265 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000208561 745348409 /nfs/dbraw/zinc/34/84/09/745348409.db2.gz MCTGJCMZILRWMZ-WBMJQRKESA-N 1 3 328.432 0.265 20 0 ECADHO Cn1nccc1CCN1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028265837 752000052 /nfs/dbraw/zinc/00/00/52/752000052.db2.gz LANFVEXAOSJZPB-MRXNPFEDSA-N 1 3 331.464 0.639 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCc4ccnn4C)C[C@H]32)CC[N@@H+]1C ZINC001075809146 745835698 /nfs/dbraw/zinc/83/56/98/745835698.db2.gz VUMFSFORTVLLMC-CYGHRXIMSA-N 1 3 345.491 0.836 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCc4ccnn4C)C[C@H]32)CC[N@H+]1C ZINC001075809146 745835704 /nfs/dbraw/zinc/83/57/04/745835704.db2.gz VUMFSFORTVLLMC-CYGHRXIMSA-N 1 3 345.491 0.836 20 0 ECADHO CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978152 745947671 /nfs/dbraw/zinc/94/76/71/745947671.db2.gz SOATWMDKWOUNNI-JGWYNZBZSA-N 1 3 349.475 0.633 20 0 ECADHO CO[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978152 745947673 /nfs/dbraw/zinc/94/76/73/745947673.db2.gz SOATWMDKWOUNNI-JGWYNZBZSA-N 1 3 349.475 0.633 20 0 ECADHO Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cn1 ZINC000978148279 745981225 /nfs/dbraw/zinc/98/12/25/745981225.db2.gz SDYUQOLCYHBONO-XLAORIBOSA-N 1 3 343.475 0.556 20 0 ECADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)CC1 ZINC001098706103 746404921 /nfs/dbraw/zinc/40/49/21/746404921.db2.gz RGUHUVYJYXKAFJ-MRXNPFEDSA-N 1 3 346.479 0.893 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000978830183 746758837 /nfs/dbraw/zinc/75/88/37/746758837.db2.gz ADYUVLAUVMKBJQ-CAOSSQGBSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000978830183 746758841 /nfs/dbraw/zinc/75/88/41/746758841.db2.gz ADYUVLAUVMKBJQ-CAOSSQGBSA-N 1 3 336.480 0.291 20 0 ECADHO CCN1CC[C@@H](N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002122256 747003694 /nfs/dbraw/zinc/00/36/94/747003694.db2.gz BFAHJJLUFFOXNC-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CC[C@@H](N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002122256 747003705 /nfs/dbraw/zinc/00/37/05/747003705.db2.gz BFAHJJLUFFOXNC-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001211731852 752188947 /nfs/dbraw/zinc/18/89/47/752188947.db2.gz UPNWEXJTCMPMSD-SMDDNHRTSA-N 1 3 329.360 0.396 20 0 ECADHO C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000979305993 747574784 /nfs/dbraw/zinc/57/47/84/747574784.db2.gz BKNQPHXNOGVTAK-WMLDXEAASA-N 1 3 349.479 0.610 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172459 747681295 /nfs/dbraw/zinc/68/12/95/747681295.db2.gz NPQUZWAHSIGLPJ-ILXRZTDVSA-N 1 3 334.464 0.126 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001002919971 747961219 /nfs/dbraw/zinc/96/12/19/747961219.db2.gz XXYWBCTWOWSXGR-INIZCTEOSA-N 1 3 336.480 0.243 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1)N(C)C ZINC000985480184 748228707 /nfs/dbraw/zinc/22/87/07/748228707.db2.gz BNSUYPHAGOKHDI-HOTGVXAUSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1)N(C)C ZINC000985480184 748228714 /nfs/dbraw/zinc/22/87/14/748228714.db2.gz BNSUYPHAGOKHDI-HOTGVXAUSA-N 1 3 338.496 0.774 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCN(C)C3=O)C2)CCC1 ZINC001029755613 748263692 /nfs/dbraw/zinc/26/36/92/748263692.db2.gz NBLNMTRREYZTCM-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)[C@H]3CCN(C)C3=O)C2)CCC1 ZINC001029755613 748263695 /nfs/dbraw/zinc/26/36/95/748263695.db2.gz NBLNMTRREYZTCM-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985497970 748301528 /nfs/dbraw/zinc/30/15/28/748301528.db2.gz DGNQHUAILAVJDN-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985497970 748301535 /nfs/dbraw/zinc/30/15/35/748301535.db2.gz DGNQHUAILAVJDN-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)C1=O ZINC000985502674 748332240 /nfs/dbraw/zinc/33/22/40/748332240.db2.gz RNPKPFSIALFVDK-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)C1=O ZINC000985502674 748332249 /nfs/dbraw/zinc/33/22/49/748332249.db2.gz RNPKPFSIALFVDK-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CCCNC1=O ZINC001029778054 748350263 /nfs/dbraw/zinc/35/02/63/748350263.db2.gz ZNESRFMOGWRNNK-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)[C@H]1CCNC1=O ZINC001029799860 748466631 /nfs/dbraw/zinc/46/66/31/748466631.db2.gz FTNQRLISPLFVNE-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@H]1CCN(C)C1=O ZINC001029826032 748629954 /nfs/dbraw/zinc/62/99/54/748629954.db2.gz KYVPHGPJDKHKQA-HOCLYGCPSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CCN2CCCC2=O)CC1)N(C)C ZINC000985655257 748816653 /nfs/dbraw/zinc/81/66/53/748816653.db2.gz GZTHQNCSKVEJDR-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CCN2CCCC2=O)CC1)N(C)C ZINC000985655257 748816659 /nfs/dbraw/zinc/81/66/59/748816659.db2.gz GZTHQNCSKVEJDR-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)[C@H]3CCCNC3=O)CC2)C1 ZINC000985655682 748818440 /nfs/dbraw/zinc/81/84/40/748818440.db2.gz VYKSREJPCHQROF-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)[C@H]3CCCNC3=O)CC2)C1 ZINC000985655682 748818443 /nfs/dbraw/zinc/81/84/43/748818443.db2.gz VYKSREJPCHQROF-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+](C[C@H]1CCc2ncnn21)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852648 748831538 /nfs/dbraw/zinc/83/15/38/748831538.db2.gz GRCYUNOVGRRIPQ-UKRRQHHQSA-N 1 3 343.435 0.512 20 0 ECADHO C[N@H+](C[C@H]1CCc2ncnn21)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852648 748831540 /nfs/dbraw/zinc/83/15/40/748831540.db2.gz GRCYUNOVGRRIPQ-UKRRQHHQSA-N 1 3 343.435 0.512 20 0 ECADHO Cn1nncc1CN[C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088414272 749101878 /nfs/dbraw/zinc/10/18/78/749101878.db2.gz BJLVUSXIDRQKGC-OAHLLOKOSA-N 1 3 346.479 0.772 20 0 ECADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCCN2CCO)CC1 ZINC001027887951 749135794 /nfs/dbraw/zinc/13/57/94/749135794.db2.gz AZFKJAIWIRRXEH-BBWFWOEESA-N 1 3 339.480 0.306 20 0 ECADHO Cc1nn(C)cc1CN(C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001029902723 749525270 /nfs/dbraw/zinc/52/52/70/749525270.db2.gz VVNDVMNKSYZGON-CVEARBPZSA-N 1 3 333.480 0.961 20 0 ECADHO Cc1nn(C)cc1CN(C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001029902723 749525272 /nfs/dbraw/zinc/52/52/72/749525272.db2.gz VVNDVMNKSYZGON-CVEARBPZSA-N 1 3 333.480 0.961 20 0 ECADHO C[N@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)C[C@@H]1CCc2ncnn21 ZINC001029904555 749535585 /nfs/dbraw/zinc/53/55/85/749535585.db2.gz YDUTWIXCEHEQBW-CVEARBPZSA-N 1 3 346.479 0.642 20 0 ECADHO C[N@@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)C[C@@H]1CCc2ncnn21 ZINC001029904555 749535589 /nfs/dbraw/zinc/53/55/89/749535589.db2.gz YDUTWIXCEHEQBW-CVEARBPZSA-N 1 3 346.479 0.642 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1)N(C)C ZINC001112531697 749840819 /nfs/dbraw/zinc/84/08/19/749840819.db2.gz MNHCTZWEYHTOQZ-BQFCYCMXSA-N 1 3 348.495 0.837 20 0 ECADHO C[C@@H]1C[C@H](C[NH2+]Cc2cnnn2C)CN1C(=O)CN1CCC(C)CC1 ZINC000980739440 750056058 /nfs/dbraw/zinc/05/60/58/750056058.db2.gz QWLYKSJQXBUWNV-HZPDHXFCSA-N 1 3 348.495 0.874 20 0 ECADHO CN(CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)[C@@H]1CCNC1=O ZINC001029975199 750170191 /nfs/dbraw/zinc/17/01/91/750170191.db2.gz RPCMLAKTHKMWMW-MRXNPFEDSA-N 1 3 348.491 0.674 20 0 ECADHO Cc1nnc(CN[C@@H]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000981312744 750575981 /nfs/dbraw/zinc/57/59/81/750575981.db2.gz WPEVUVBSPALMGQ-HUUCEWRRSA-N 1 3 334.468 0.972 20 0 ECADHO C[C@H]1[C@@H](NCc2n[nH]c(C3CC3)n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360460 750755089 /nfs/dbraw/zinc/75/50/89/750755089.db2.gz VCVMLHYMXFSPLW-JSGCOSHPSA-N 1 3 344.463 0.857 20 0 ECADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCN1C(=O)CN1CCCC1 ZINC000987517199 750923970 /nfs/dbraw/zinc/92/39/70/750923970.db2.gz HUNXBOZNTRRPAO-PBHICJAKSA-N 1 3 344.459 0.960 20 0 ECADHO COCCN1CCC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001006115439 751032258 /nfs/dbraw/zinc/03/22/58/751032258.db2.gz FBJOUUOHIIREEM-UHFFFAOYSA-N 1 3 337.468 0.628 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006135478 751059418 /nfs/dbraw/zinc/05/94/18/751059418.db2.gz CFXRGZTTZZNDHG-MLGOLLRUSA-N 1 3 345.447 0.257 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C(N)=O)cc2)C1 ZINC001028316165 752363737 /nfs/dbraw/zinc/36/37/37/752363737.db2.gz KYCVIWBDAHVIAE-IAGOWNOFSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C(N)=O)cc2)C1 ZINC001028316165 752363746 /nfs/dbraw/zinc/36/37/46/752363746.db2.gz KYCVIWBDAHVIAE-IAGOWNOFSA-N 1 3 344.459 0.818 20 0 ECADHO CCn1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnccc3N(C)C)C2)nn1 ZINC001020938597 752363712 /nfs/dbraw/zinc/36/37/12/752363712.db2.gz RYMXFWUKJLFLIJ-JOCQHMNTSA-N 1 3 343.435 0.810 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000982780038 753545180 /nfs/dbraw/zinc/54/51/80/753545180.db2.gz ZMLIOQLDMAXHMP-OAHLLOKOSA-N 1 3 336.480 0.389 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051504669 762233822 /nfs/dbraw/zinc/23/38/22/762233822.db2.gz UCUAXEJKWJSXHI-JSGCOSHPSA-N 1 3 335.452 0.566 20 0 ECADHO CC(C)N(C)CC(=O)N1CCOC2(CCC([NH2+]CCCO)CC2)C1 ZINC001105487067 753723683 /nfs/dbraw/zinc/72/36/83/753723683.db2.gz NZOFSDGNIRLCCN-UHFFFAOYSA-N 1 3 341.496 0.839 20 0 ECADHO COC[C@H](C)N1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008827172 754166540 /nfs/dbraw/zinc/16/65/40/754166540.db2.gz JKMWSMWTYUVCMS-HOCLYGCPSA-N 1 3 337.468 0.674 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605341 754186983 /nfs/dbraw/zinc/18/69/83/754186983.db2.gz KTPSCABMITUUCD-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CC(=O)N1CCOC[C@@]2(CN(C3CCC([NH+](C)C)CC3)CCO2)C1 ZINC001168321086 754504341 /nfs/dbraw/zinc/50/43/41/754504341.db2.gz DCASGXACGDJMKK-ABHNRTSZSA-N 1 3 339.480 0.809 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000990279006 754935043 /nfs/dbraw/zinc/93/50/43/754935043.db2.gz UBFCHFFPBKGFII-KRWDZBQOSA-N 1 3 344.459 0.960 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001030020189 755577615 /nfs/dbraw/zinc/57/76/15/755577615.db2.gz UWOGXKYSKVMCPF-ARFHVFGLSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(CCn2cncn2)CC3)CC[N@@H+]1C ZINC000990792656 755914885 /nfs/dbraw/zinc/91/48/85/755914885.db2.gz UUBNOMLAJPQUEQ-CBZIJGRNSA-N 1 3 346.479 0.732 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(CCn2cncn2)CC3)CC[N@H+]1C ZINC000990792656 755914889 /nfs/dbraw/zinc/91/48/89/755914889.db2.gz UUBNOMLAJPQUEQ-CBZIJGRNSA-N 1 3 346.479 0.732 20 0 ECADHO C[C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001010328877 756008969 /nfs/dbraw/zinc/00/89/69/756008969.db2.gz YNOJBDTZFZXHPE-KBPBESRZSA-N 1 3 347.463 0.647 20 0 ECADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001010368466 756050030 /nfs/dbraw/zinc/05/00/30/756050030.db2.gz DPEDWZQYGMOPCZ-JKSUJKDBSA-N 1 3 330.432 0.570 20 0 ECADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001010368466 756050035 /nfs/dbraw/zinc/05/00/35/756050035.db2.gz DPEDWZQYGMOPCZ-JKSUJKDBSA-N 1 3 330.432 0.570 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001076070310 756055683 /nfs/dbraw/zinc/05/56/83/756055683.db2.gz DFOOWKPONFJFOW-FNYPPERVSA-N 1 3 331.460 0.792 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001076070310 756055688 /nfs/dbraw/zinc/05/56/88/756055688.db2.gz DFOOWKPONFJFOW-FNYPPERVSA-N 1 3 331.460 0.792 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001010896806 756649776 /nfs/dbraw/zinc/64/97/76/756649776.db2.gz BFSOYJPSOXXDSI-CQSZACIVSA-N 1 3 345.447 0.355 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001010896806 756649779 /nfs/dbraw/zinc/64/97/79/756649779.db2.gz BFSOYJPSOXXDSI-CQSZACIVSA-N 1 3 345.447 0.355 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@H]2C1 ZINC001048816741 757088002 /nfs/dbraw/zinc/08/80/02/757088002.db2.gz DAKLYWVUXSPVHA-OWCLPIDISA-N 1 3 336.480 0.338 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@H]2C1 ZINC001048816741 757088010 /nfs/dbraw/zinc/08/80/10/757088010.db2.gz DAKLYWVUXSPVHA-OWCLPIDISA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001011178222 757131316 /nfs/dbraw/zinc/13/13/16/757131316.db2.gz QRVKKSKWTZAWRW-DOTOQJQBSA-N 1 3 348.491 0.341 20 0 ECADHO Cn1cncc1CN1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001048864434 757221256 /nfs/dbraw/zinc/22/12/56/757221256.db2.gz ZBZLNXPSGVUZCB-HLLBOEOZSA-N 1 3 331.464 0.651 20 0 ECADHO Cc1nn(C)cc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048864141 757221395 /nfs/dbraw/zinc/22/13/95/757221395.db2.gz SGMJKMLPMHPGNZ-FGTMMUONSA-N 1 3 345.491 0.959 20 0 ECADHO Cc1nn(C)cc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048864141 757221405 /nfs/dbraw/zinc/22/14/05/757221405.db2.gz SGMJKMLPMHPGNZ-FGTMMUONSA-N 1 3 345.491 0.959 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1)C1CCC1 ZINC001048864924 757223447 /nfs/dbraw/zinc/22/34/47/757223447.db2.gz QJTXCVOISYNFKV-IJEWVQPXSA-N 1 3 334.464 0.092 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1)C1CCC1 ZINC001048864924 757223449 /nfs/dbraw/zinc/22/34/49/757223449.db2.gz QJTXCVOISYNFKV-IJEWVQPXSA-N 1 3 334.464 0.092 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@H]2C1)[NH+](C)C ZINC001048875848 757259401 /nfs/dbraw/zinc/25/94/01/757259401.db2.gz QLRMJSQMHYEICD-WCVJEAGWSA-N 1 3 338.496 0.440 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001011262416 757321869 /nfs/dbraw/zinc/32/18/69/757321869.db2.gz GIBFGDPCRLMTSW-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001011262416 757321879 /nfs/dbraw/zinc/32/18/79/757321879.db2.gz GIBFGDPCRLMTSW-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC000996353502 757452894 /nfs/dbraw/zinc/45/28/94/757452894.db2.gz AHNXHQTXCUXIIC-HIFRSBDPSA-N 1 3 347.463 0.695 20 0 ECADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000996356790 757459784 /nfs/dbraw/zinc/45/97/84/757459784.db2.gz SLUDKGYRJTVYDQ-ZIAGYGMSSA-N 1 3 343.435 0.558 20 0 ECADHO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049056397 757797778 /nfs/dbraw/zinc/79/77/78/757797778.db2.gz XTQWCYWLEXTWBK-QLFBSQMISA-N 1 3 336.480 0.372 20 0 ECADHO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049056397 757797784 /nfs/dbraw/zinc/79/77/84/757797784.db2.gz XTQWCYWLEXTWBK-QLFBSQMISA-N 1 3 336.480 0.372 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057371 757805284 /nfs/dbraw/zinc/80/52/84/757805284.db2.gz PFNMKIZOGHNSST-QXSJWSMHSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057371 757805295 /nfs/dbraw/zinc/80/52/95/757805295.db2.gz PFNMKIZOGHNSST-QXSJWSMHSA-N 1 3 336.480 0.338 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996506567 757813816 /nfs/dbraw/zinc/81/38/16/757813816.db2.gz MQYXNKIZOQVTGN-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996506567 757813822 /nfs/dbraw/zinc/81/38/22/757813822.db2.gz MQYXNKIZOQVTGN-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO CCn1cc(CC[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)cn1 ZINC001049083871 757916940 /nfs/dbraw/zinc/91/69/40/757916940.db2.gz XEKVDAOFVXJZGM-IYBDPMFKSA-N 1 3 342.447 0.802 20 0 ECADHO CCn1cc(CC[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)cn1 ZINC001049083871 757916944 /nfs/dbraw/zinc/91/69/44/757916944.db2.gz XEKVDAOFVXJZGM-IYBDPMFKSA-N 1 3 342.447 0.802 20 0 ECADHO CN1CC[C@H](N[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1=O ZINC000996521420 757932083 /nfs/dbraw/zinc/93/20/83/757932083.db2.gz SDDAIAHKWIPOQV-KBPBESRZSA-N 1 3 334.464 0.140 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001049100516 757957975 /nfs/dbraw/zinc/95/79/75/757957975.db2.gz KVNOMIIOFJPQRW-XHSDSOJGSA-N 1 3 336.480 0.372 20 0 ECADHO CN(C)[C@@](C)(C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1)c1ccccc1 ZINC001049165918 758192560 /nfs/dbraw/zinc/19/25/60/758192560.db2.gz IRYGUCMSMIJEFW-ZRGWGRIASA-N 1 3 344.459 0.339 20 0 ECADHO CN(C)[C@@](C)(C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)c1ccccc1 ZINC001049165918 758192565 /nfs/dbraw/zinc/19/25/65/758192565.db2.gz IRYGUCMSMIJEFW-ZRGWGRIASA-N 1 3 344.459 0.339 20 0 ECADHO CC1CCN(CC(=O)N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001011657115 758222277 /nfs/dbraw/zinc/22/22/77/758222277.db2.gz NOMDCQADHUACIR-UHFFFAOYSA-N 1 3 348.491 0.485 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001022070584 758235685 /nfs/dbraw/zinc/23/56/85/758235685.db2.gz XCNIXQIZLCIPNJ-FZKCQIBNSA-N 1 3 346.479 0.875 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1)N(C)C ZINC001011664475 758244354 /nfs/dbraw/zinc/24/43/54/758244354.db2.gz VIOHRZBBNKSLLK-LSDHHAIUSA-N 1 3 326.485 0.584 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3CC)C2)CC[N@@H+]1C ZINC001022109005 758288573 /nfs/dbraw/zinc/28/85/73/758288573.db2.gz AHNWXYIRQXRUQU-LQKXBSAESA-N 1 3 334.468 0.765 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3CC)C2)CC[N@H+]1C ZINC001022109005 758288581 /nfs/dbraw/zinc/28/85/81/758288581.db2.gz AHNWXYIRQXRUQU-LQKXBSAESA-N 1 3 334.468 0.765 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001022118896 758298387 /nfs/dbraw/zinc/29/83/87/758298387.db2.gz ACHHXUKUYPNTRQ-YALNPMBYSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001022118896 758298395 /nfs/dbraw/zinc/29/83/95/758298395.db2.gz ACHHXUKUYPNTRQ-YALNPMBYSA-N 1 3 345.447 0.385 20 0 ECADHO CN(C)Cc1ccsc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001022155820 758343169 /nfs/dbraw/zinc/34/31/69/758343169.db2.gz NMKCXYJGUUYWST-BETUJISGSA-N 1 3 348.476 0.989 20 0 ECADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1=O ZINC000996681261 758459408 /nfs/dbraw/zinc/45/94/08/758459408.db2.gz YSJDAAVPZFQMLV-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@@H](CNCc2cccnc2)C1)[NH+](C)C ZINC001051667281 762638930 /nfs/dbraw/zinc/63/89/30/762638930.db2.gz NLJRMCJOAAQNSF-IRXDYDNUSA-N 1 3 334.464 0.985 20 0 ECADHO O=C(N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219047 758543960 /nfs/dbraw/zinc/54/39/60/758543960.db2.gz HLCRQJOKWZXIQD-BZUAXINKSA-N 1 3 337.464 0.060 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022455065 758746335 /nfs/dbraw/zinc/74/63/35/758746335.db2.gz FIFKCJIAUMGKJU-XFHVWQCUSA-N 1 3 349.475 0.513 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC001022717799 759035472 /nfs/dbraw/zinc/03/54/72/759035472.db2.gz LHVFSEMEGNAIEJ-YESZJQIVSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC001022717799 759035479 /nfs/dbraw/zinc/03/54/79/759035479.db2.gz LHVFSEMEGNAIEJ-YESZJQIVSA-N 1 3 348.491 0.626 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c(C)n1 ZINC001022720638 759043194 /nfs/dbraw/zinc/04/31/94/759043194.db2.gz SCSRXSPADRXXNC-BQDHKBFISA-N 1 3 347.463 0.728 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)c(C)n1 ZINC001022720638 759043201 /nfs/dbraw/zinc/04/32/01/759043201.db2.gz SCSRXSPADRXXNC-BQDHKBFISA-N 1 3 347.463 0.728 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3cncs3)C2)cn1 ZINC001022838658 759158937 /nfs/dbraw/zinc/15/89/37/759158937.db2.gz VLLDTASDVACXBO-OKILXGFUSA-N 1 3 348.476 0.952 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039206 759510455 /nfs/dbraw/zinc/51/04/55/759510455.db2.gz MYIGVGNPRXJAGU-HUUCEWRRSA-N 1 3 326.485 0.537 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047871461 759632266 /nfs/dbraw/zinc/63/22/66/759632266.db2.gz YBVRNFWBXVRTPY-UONOGXRCSA-N 1 3 334.468 0.626 20 0 ECADHO CCn1cc(CN[C@H](C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001047953078 759741654 /nfs/dbraw/zinc/74/16/54/759741654.db2.gz BGBGQCNFGYYKEH-GDBMZVCRSA-N 1 3 348.495 0.966 20 0 ECADHO COc1nccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001048058592 759898046 /nfs/dbraw/zinc/89/80/46/759898046.db2.gz GKTBGGJIBGTUSM-CABCVRRESA-N 1 3 347.463 0.908 20 0 ECADHO CN(CC(=O)N1CC[C@H](CC[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001050222276 759968340 /nfs/dbraw/zinc/96/83/40/759968340.db2.gz KVUYRZSKEUTFQX-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO Cn1cnnc1CNC[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001050386727 760214462 /nfs/dbraw/zinc/21/44/62/760214462.db2.gz UVGGSMWKXCESNO-BZUAXINKSA-N 1 3 348.495 0.922 20 0 ECADHO Cn1cnnc1CNC[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001050386727 760214470 /nfs/dbraw/zinc/21/44/70/760214470.db2.gz UVGGSMWKXCESNO-BZUAXINKSA-N 1 3 348.495 0.922 20 0 ECADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CNCc1nncn1C ZINC001048397418 760437388 /nfs/dbraw/zinc/43/73/88/760437388.db2.gz QGIPDYGAPLCVRT-ZBFHGGJFSA-N 1 3 348.495 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PVFYVWHZBYDVSL-GJZGRUSLSA-N 1 3 346.475 0.332 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001098780461 767690871 /nfs/dbraw/zinc/69/08/71/767690871.db2.gz WHKMPYZMHJVHDT-WBVHZDCISA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001098780461 767690875 /nfs/dbraw/zinc/69/08/75/767690875.db2.gz WHKMPYZMHJVHDT-WBVHZDCISA-N 1 3 346.479 0.893 20 0 ECADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356492 768458972 /nfs/dbraw/zinc/45/89/72/768458972.db2.gz DYJZFOSBQPBNRK-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356492 768458978 /nfs/dbraw/zinc/45/89/78/768458978.db2.gz DYJZFOSBQPBNRK-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(N)=O ZINC001106672400 768586995 /nfs/dbraw/zinc/58/69/95/768586995.db2.gz UETFAGBTIXCVIQ-MGPQQGTHSA-N 1 3 326.485 0.522 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000993826614 769690991 /nfs/dbraw/zinc/69/09/91/769690991.db2.gz BPUAPLAHZUAMMS-OKILXGFUSA-N 1 3 334.464 0.282 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)nnn3C)C1)N(C)C ZINC001019033147 770609926 /nfs/dbraw/zinc/60/99/26/770609926.db2.gz AZNFHLPEBNPHJD-GOEBONIOSA-N 1 3 344.463 0.999 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N2CCCCC2)C1)N(C)C ZINC001019033131 770610007 /nfs/dbraw/zinc/61/00/07/770610007.db2.gz AMQJBXGPSSLMSC-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](N[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1)C(N)=O ZINC001019383743 771231977 /nfs/dbraw/zinc/23/19/77/771231977.db2.gz LVYSYLHXNVPSQI-BBRMVZONSA-N 1 3 332.448 0.469 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1)N(C)C ZINC001019394910 771246646 /nfs/dbraw/zinc/24/66/46/771246646.db2.gz QJINHMPVXKDIMB-BPUTZDHNSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC[C@@H]2C)C1)N(C)C ZINC001019397264 771247823 /nfs/dbraw/zinc/24/78/23/771247823.db2.gz QLWRARWHTDCTRE-JYJNAYRXSA-N 1 3 338.496 0.918 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056559188 771380506 /nfs/dbraw/zinc/38/05/06/771380506.db2.gz KKIOXICNQPRKPD-CVEARBPZSA-N 1 3 347.463 0.886 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056559188 771380512 /nfs/dbraw/zinc/38/05/12/771380512.db2.gz KKIOXICNQPRKPD-CVEARBPZSA-N 1 3 347.463 0.886 20 0 ECADHO Cc1nc(CN[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC001019593416 771561616 /nfs/dbraw/zinc/56/16/16/771561616.db2.gz YOVKAGRDGJZBJW-HNNXBMFYSA-N 1 3 334.468 0.924 20 0 ECADHO NC(=O)c1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001019775834 771785062 /nfs/dbraw/zinc/78/50/62/771785062.db2.gz ILKNELRCHVNJMH-INIZCTEOSA-N 1 3 330.432 0.572 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@@H]1CCCN1C ZINC001020124020 772187577 /nfs/dbraw/zinc/18/75/77/772187577.db2.gz USVMJNLVIIGQPS-JYJNAYRXSA-N 1 3 348.491 0.815 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001020150222 772220056 /nfs/dbraw/zinc/22/00/56/772220056.db2.gz OJCVRSBABPSPJR-AJNGGQMLSA-N 1 3 332.452 0.426 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001020150222 772220058 /nfs/dbraw/zinc/22/00/58/772220058.db2.gz OJCVRSBABPSPJR-AJNGGQMLSA-N 1 3 332.452 0.426 20 0 ECADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)N1CCCCC1 ZINC001020156528 772227139 /nfs/dbraw/zinc/22/71/39/772227139.db2.gz PKOXSLIWWXBWSR-SHTZXODSSA-N 1 3 334.468 0.779 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001020179040 772249907 /nfs/dbraw/zinc/24/99/07/772249907.db2.gz LZDKJHTTXKWPKN-LUKYLMHMSA-N 1 3 337.464 0.513 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001078465778 782997698 /nfs/dbraw/zinc/99/76/98/782997698.db2.gz JNFJDJMVYOHISN-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001078465778 782997704 /nfs/dbraw/zinc/99/77/04/782997704.db2.gz JNFJDJMVYOHISN-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCC[C@H]1C)N(C)C ZINC001078467785 783005002 /nfs/dbraw/zinc/00/50/02/783005002.db2.gz OCSZDWHRPPMPKL-RRFJBIMHSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC[C@H]1C)N(C)C ZINC001078467785 783005010 /nfs/dbraw/zinc/00/50/10/783005010.db2.gz OCSZDWHRPPMPKL-RRFJBIMHSA-N 1 3 326.485 0.822 20 0 ECADHO Cc1nc2c([nH]1)C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N3CCC3)C1)CC2 ZINC001020316421 772437964 /nfs/dbraw/zinc/43/79/64/772437964.db2.gz MNRXANRFPFRREN-MGPQQGTHSA-N 1 3 345.447 0.292 20 0 ECADHO Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N3CCC3)C1)C2 ZINC001020316421 772437968 /nfs/dbraw/zinc/43/79/68/772437968.db2.gz MNRXANRFPFRREN-MGPQQGTHSA-N 1 3 345.447 0.292 20 0 ECADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001078473194 783020273 /nfs/dbraw/zinc/02/02/73/783020273.db2.gz SMZVFLMWHZDBOL-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406948 772550790 /nfs/dbraw/zinc/55/07/90/772550790.db2.gz GZCDADAEJUFTTR-TWRQYFLMSA-N 1 3 335.448 0.123 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001040638781 783154951 /nfs/dbraw/zinc/15/49/51/783154951.db2.gz QUMJTLJRGRKKHT-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)n1 ZINC001044857611 774681193 /nfs/dbraw/zinc/68/11/93/774681193.db2.gz LSHWMNWNUXMZNZ-WMLDXEAASA-N 1 3 348.495 0.960 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001044959686 774769377 /nfs/dbraw/zinc/76/93/77/774769377.db2.gz LTMPDHZHTFBXEO-HOTGVXAUSA-N 1 3 332.448 0.560 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001044959845 774770646 /nfs/dbraw/zinc/77/06/46/774770646.db2.gz OQTRPBZFVMDRFW-IRXDYDNUSA-N 1 3 344.459 0.960 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)C1=O ZINC001045070517 774930326 /nfs/dbraw/zinc/93/03/26/774930326.db2.gz JBKBSPQLMPELMZ-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC2(C)CCN(CCn3cncn3)CC2)CC[N@@H+]1C ZINC001045536188 775757961 /nfs/dbraw/zinc/75/79/61/775757961.db2.gz KHEZSAVXOYHUHU-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC2(C)CCN(CCn3cncn3)CC2)CC[N@H+]1C ZINC001045536188 775757966 /nfs/dbraw/zinc/75/79/66/775757966.db2.gz KHEZSAVXOYHUHU-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044629735 776542358 /nfs/dbraw/zinc/54/23/58/776542358.db2.gz PBJMCNFXQDAXBV-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CO[C@@H](C)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717500 776754439 /nfs/dbraw/zinc/75/44/39/776754439.db2.gz LEYDEZDQUMBJMR-IJEWVQPXSA-N 1 3 337.468 0.530 20 0 ECADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079718568 776758624 /nfs/dbraw/zinc/75/86/24/776758624.db2.gz JLQSRZRRZYUDKP-DZUCGIPZSA-N 1 3 339.480 0.162 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001079859814 776989805 /nfs/dbraw/zinc/98/98/05/776989805.db2.gz LHACARCYDJTILC-GDBMZVCRSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001079859814 776989811 /nfs/dbraw/zinc/98/98/11/776989811.db2.gz LHACARCYDJTILC-GDBMZVCRSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(C(=O)[C@H]1CCCCN1CC)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079928786 777098556 /nfs/dbraw/zinc/09/85/56/777098556.db2.gz TVUTVVZKTLRVSE-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001079930914 777105465 /nfs/dbraw/zinc/10/54/65/777105465.db2.gz CJLOYEHWYJZLEZ-OAHLLOKOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079930914 777105467 /nfs/dbraw/zinc/10/54/67/777105467.db2.gz CJLOYEHWYJZLEZ-OAHLLOKOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)C1(N(C)C)CCC1)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079943809 777122112 /nfs/dbraw/zinc/12/21/12/777122112.db2.gz NWKVYBNZACMQTM-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001079951959 777139375 /nfs/dbraw/zinc/13/93/75/777139375.db2.gz NMWIAEGNBFZGPX-KRWDZBQOSA-N 1 3 340.512 0.974 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001080018470 777240237 /nfs/dbraw/zinc/24/02/37/777240237.db2.gz WVIOPNKXPAERII-HZPDHXFCSA-N 1 3 340.512 0.972 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001080192033 777531192 /nfs/dbraw/zinc/53/11/92/777531192.db2.gz GTTMDHFJOUMCGO-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001080444944 777867996 /nfs/dbraw/zinc/86/79/96/777867996.db2.gz ZNOIDKQECGPJHK-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001080557864 778027132 /nfs/dbraw/zinc/02/71/32/778027132.db2.gz GSBKOEWGLJTZJC-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080557864 778027136 /nfs/dbraw/zinc/02/71/36/778027136.db2.gz GSBKOEWGLJTZJC-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 ZINC001041445649 781533197 /nfs/dbraw/zinc/53/31/97/781533197.db2.gz MCASRRQFYDTZLH-UGSOOPFHSA-N 1 3 341.415 0.746 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 ZINC001041445649 781533200 /nfs/dbraw/zinc/53/32/00/781533200.db2.gz MCASRRQFYDTZLH-UGSOOPFHSA-N 1 3 341.415 0.746 20 0 ECADHO CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708658 781558532 /nfs/dbraw/zinc/55/85/32/781558532.db2.gz RROJJLCCBSJIGL-XMTFNYHQSA-N 1 3 331.460 0.903 20 0 ECADHO CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708658 781558540 /nfs/dbraw/zinc/55/85/40/781558540.db2.gz RROJJLCCBSJIGL-XMTFNYHQSA-N 1 3 331.460 0.903 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@]3(CCN([C@@H]4CCCNC4=O)C3)C2)CC1 ZINC001041633039 781896546 /nfs/dbraw/zinc/89/65/46/781896546.db2.gz OVMVMSFLOGIROM-APWZRJJASA-N 1 3 348.491 0.531 20 0 ECADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040713704 783315433 /nfs/dbraw/zinc/31/54/33/783315433.db2.gz XXADKZDRVSXWJM-CVEARBPZSA-N 1 3 337.464 0.156 20 0 ECADHO CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037848836 783640333 /nfs/dbraw/zinc/64/03/33/783640333.db2.gz CDKCZLCFKBVBNB-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO CN(CC(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070208887 783659929 /nfs/dbraw/zinc/65/99/29/783659929.db2.gz BWASNWQKXSWJQN-CVEARBPZSA-N 1 3 332.452 0.514 20 0 ECADHO CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1NCc1cnn(C)n1 ZINC001037924951 783705893 /nfs/dbraw/zinc/70/58/93/783705893.db2.gz MNALYJHGXXOLPN-RHSMWYFYSA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001037935117 783712986 /nfs/dbraw/zinc/71/29/86/783712986.db2.gz PAIFPPUCBBILOX-UKRRQHHQSA-N 1 3 348.451 0.194 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070275298 783780540 /nfs/dbraw/zinc/78/05/40/783780540.db2.gz FEVKTBHATDRNFY-OIISXLGYSA-N 1 3 346.479 0.904 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070284457 783789472 /nfs/dbraw/zinc/78/94/72/783789472.db2.gz DOOPVACMGBVKPY-CABCVRRESA-N 1 3 329.408 0.386 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC001070556656 784270408 /nfs/dbraw/zinc/27/04/08/784270408.db2.gz LEPHAVDILIIRMF-BZUAXINKSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001071015110 784419161 /nfs/dbraw/zinc/41/91/61/784419161.db2.gz QMVGVPSJODPTED-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001071015110 784419166 /nfs/dbraw/zinc/41/91/66/784419166.db2.gz QMVGVPSJODPTED-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001070767784 784672502 /nfs/dbraw/zinc/67/25/02/784672502.db2.gz MEZNQBILSKJFNM-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001070767784 784672509 /nfs/dbraw/zinc/67/25/09/784672509.db2.gz MEZNQBILSKJFNM-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001071343997 784984497 /nfs/dbraw/zinc/98/44/97/784984497.db2.gz ORDYWGJHQLKPHS-ARFHVFGLSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001071343997 784984501 /nfs/dbraw/zinc/98/45/01/784984501.db2.gz ORDYWGJHQLKPHS-ARFHVFGLSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001072285886 785976448 /nfs/dbraw/zinc/97/64/48/785976448.db2.gz BZHHHWAKQKDOPV-GJZGRUSLSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001072369507 786091128 /nfs/dbraw/zinc/09/11/28/786091128.db2.gz RAGJXDFLUQWING-UKRRQHHQSA-N 1 3 330.436 0.960 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001072469933 786228709 /nfs/dbraw/zinc/22/87/09/786228709.db2.gz GPUFHHWAEIBIHQ-BBRMVZONSA-N 1 3 349.479 0.956 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001072481305 786254902 /nfs/dbraw/zinc/25/49/02/786254902.db2.gz ORKLIFJHJQEKFL-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001072481881 786257575 /nfs/dbraw/zinc/25/75/75/786257575.db2.gz WQUFIDPNDMBHDI-HOCLYGCPSA-N 1 3 338.496 0.633 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCOC)CCCO1 ZINC001073627343 786805466 /nfs/dbraw/zinc/80/54/66/786805466.db2.gz OGQMJNMAIUTAFS-HZPDHXFCSA-N 1 3 327.469 0.714 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCOC)CCCO1 ZINC001073627343 786805475 /nfs/dbraw/zinc/80/54/75/786805475.db2.gz OGQMJNMAIUTAFS-HZPDHXFCSA-N 1 3 327.469 0.714 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001073801536 787229473 /nfs/dbraw/zinc/22/94/73/787229473.db2.gz NKNYHCOGZNLNML-SJORKVTESA-N 1 3 341.496 0.839 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073801536 787229477 /nfs/dbraw/zinc/22/94/77/787229477.db2.gz NKNYHCOGZNLNML-SJORKVTESA-N 1 3 341.496 0.839 20 0 ECADHO C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001073899519 787475621 /nfs/dbraw/zinc/47/56/21/787475621.db2.gz VYWDSTNMTDQSCN-MAUKXSAKSA-N 1 3 349.475 0.950 20 0 ECADHO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001073899519 787475626 /nfs/dbraw/zinc/47/56/26/787475626.db2.gz VYWDSTNMTDQSCN-MAUKXSAKSA-N 1 3 349.475 0.950 20 0 ECADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072627702 788466844 /nfs/dbraw/zinc/46/68/44/788466844.db2.gz YVAVWZBOADPSSE-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@H](NC(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001072743086 788694840 /nfs/dbraw/zinc/69/48/40/788694840.db2.gz ZKAXAYFHTWUCND-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001072743086 788694848 /nfs/dbraw/zinc/69/48/48/788694848.db2.gz ZKAXAYFHTWUCND-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001075169554 789017551 /nfs/dbraw/zinc/01/75/51/789017551.db2.gz LGKDGGNURZYFNR-ATNYBXOESA-N 1 3 338.496 0.535 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001075170303 789019654 /nfs/dbraw/zinc/01/96/54/789019654.db2.gz UMBOPNPORJJLCE-ZXFNITATSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+][C@H]1CCN(C)C1=O ZINC001075170514 789020132 /nfs/dbraw/zinc/02/01/32/789020132.db2.gz WQERLTUKMOYSKU-HACGYAERSA-N 1 3 333.436 0.257 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001073259721 789667104 /nfs/dbraw/zinc/66/71/04/789667104.db2.gz PSHVJYHAVFZOQK-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCc2cccc(N3CC[C@H](NCCF)C3)n2)C1 ZINC001069841078 790075904 /nfs/dbraw/zinc/07/59/04/790075904.db2.gz ZVDJKFROSKRWJL-ZBFHGGJFSA-N 1 3 349.454 0.787 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCc2cccc(N3CC[C@H](NCCF)C3)n2)C1 ZINC001069841078 790075909 /nfs/dbraw/zinc/07/59/09/790075909.db2.gz ZVDJKFROSKRWJL-ZBFHGGJFSA-N 1 3 349.454 0.787 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001067830430 792336609 /nfs/dbraw/zinc/33/66/09/792336609.db2.gz WLUQOHFAOGZJGJ-CVEARBPZSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001067830430 792336619 /nfs/dbraw/zinc/33/66/19/792336619.db2.gz WLUQOHFAOGZJGJ-CVEARBPZSA-N 1 3 340.512 0.975 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCN1C)[NH+](C)C ZINC001067008901 792562822 /nfs/dbraw/zinc/56/28/22/792562822.db2.gz CLZNPHOUXAISFV-HOTGVXAUSA-N 1 3 340.512 0.974 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001067010481 792571113 /nfs/dbraw/zinc/57/11/13/792571113.db2.gz MZOMLSICFQCLCN-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001067010481 792571117 /nfs/dbraw/zinc/57/11/17/792571117.db2.gz MZOMLSICFQCLCN-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CCCCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267419945 837388457 /nfs/dbraw/zinc/38/84/57/837388457.db2.gz WWAZAUYIYSNLGT-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CCCCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267419945 837388464 /nfs/dbraw/zinc/38/84/64/837388464.db2.gz WWAZAUYIYSNLGT-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267428905 837398973 /nfs/dbraw/zinc/39/89/73/837398973.db2.gz GHRINOPPYKKJRJ-HUUCEWRRSA-N 1 3 345.509 0.201 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267428906 837400243 /nfs/dbraw/zinc/40/02/43/837400243.db2.gz GHRINOPPYKKJRJ-LSDHHAIUSA-N 1 3 345.509 0.201 20 0 ECADHO COCC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001282926674 836012795 /nfs/dbraw/zinc/01/27/95/836012795.db2.gz ZDOOGXCFLRKPGN-HUUCEWRRSA-N 1 3 329.485 0.816 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCN1CCC([NH2+]CCCO)CC1 ZINC001279453669 836036421 /nfs/dbraw/zinc/03/64/21/836036421.db2.gz MJYZJLSZEBIODU-IYBDPMFKSA-N 1 3 340.512 0.412 20 0 ECADHO CCCCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266778219 836292625 /nfs/dbraw/zinc/29/26/25/836292625.db2.gz JTCRRKDSYSZNOG-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCCN2CCCC2=O)C1)N(C)C ZINC001267023077 836641199 /nfs/dbraw/zinc/64/11/99/836641199.db2.gz SPNKJUCJHUQIOS-RDJZCZTQSA-N 1 3 338.496 0.776 20 0 ECADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1=O ZINC001267026531 836646856 /nfs/dbraw/zinc/64/68/56/836646856.db2.gz JFEAOILETVJJSR-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001267067761 836711701 /nfs/dbraw/zinc/71/17/01/836711701.db2.gz AIVIFKHTQZXEIL-ZIAGYGMSSA-N 1 3 331.407 0.945 20 0 ECADHO CN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001267162661 836880248 /nfs/dbraw/zinc/88/02/48/836880248.db2.gz GYMRZGSLKBCIEB-CVEARBPZSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001267162661 836880258 /nfs/dbraw/zinc/88/02/58/836880258.db2.gz GYMRZGSLKBCIEB-CVEARBPZSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNC(=O)CN(C)C1CCC1 ZINC001408601046 837293661 /nfs/dbraw/zinc/29/36/61/837293661.db2.gz ZKKRAESPYWXORQ-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNC(=O)CN(C)C1CCC1 ZINC001408601046 837293670 /nfs/dbraw/zinc/29/36/70/837293670.db2.gz ZKKRAESPYWXORQ-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO CC(=O)N1CCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050799141 214070259 /nfs/dbraw/zinc/07/02/59/214070259.db2.gz KAFDDHCJPITDSB-KRWDZBQOSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCC1 ZINC000354662879 299089096 /nfs/dbraw/zinc/08/90/96/299089096.db2.gz MRNJZGWKRWAGIQ-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354670566 299092008 /nfs/dbraw/zinc/09/20/08/299092008.db2.gz ZHEBDHUGNYBAJT-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354670566 299092011 /nfs/dbraw/zinc/09/20/11/299092011.db2.gz ZHEBDHUGNYBAJT-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C(C)(C)C[NH+](C)C ZINC000419536720 209119841 /nfs/dbraw/zinc/11/98/41/209119841.db2.gz BHJLGDYOPMJECB-YNEHKIRRSA-N 1 3 342.484 0.308 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423745319 209820241 /nfs/dbraw/zinc/82/02/41/209820241.db2.gz MFBQVTRKFPXGHB-IRXDYDNUSA-N 1 3 349.479 0.990 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000419251147 282797038 /nfs/dbraw/zinc/79/70/38/282797038.db2.gz ZSRKYUIVVYXTIP-HOCLYGCPSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423150531 209706570 /nfs/dbraw/zinc/70/65/70/209706570.db2.gz IVXFYBGHLQVHJG-JYJNAYRXSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000355272158 299228559 /nfs/dbraw/zinc/22/85/59/299228559.db2.gz BDFUDJIYNXKXOJ-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO CC1CCN(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000353121640 202082085 /nfs/dbraw/zinc/08/20/85/202082085.db2.gz FNJFKHNUELKBKR-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC1CCN(CC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000353121640 202082088 /nfs/dbraw/zinc/08/20/88/202082088.db2.gz FNJFKHNUELKBKR-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420022910 283218001 /nfs/dbraw/zinc/21/80/01/283218001.db2.gz AFFBGHVHMVBGGG-UONOGXRCSA-N 1 3 342.484 0.406 20 0 ECADHO CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)CN2CCC[C@H](C(=O)NC)C2)C1 ZINC000246875538 283392278 /nfs/dbraw/zinc/39/22/78/283392278.db2.gz JSXNJQLVIKVFHT-PHZGNYQRSA-N 1 3 338.496 0.539 20 0 ECADHO CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](C)CN2CCC[C@H](C(=O)NC)C2)C1 ZINC000246875538 283392283 /nfs/dbraw/zinc/39/22/83/283392283.db2.gz JSXNJQLVIKVFHT-PHZGNYQRSA-N 1 3 338.496 0.539 20 0 ECADHO CNC(=O)[C@@H]1CCCN(C[C@@H](C)C[N@@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000246875538 283392286 /nfs/dbraw/zinc/39/22/86/283392286.db2.gz JSXNJQLVIKVFHT-PHZGNYQRSA-N 1 3 338.496 0.539 20 0 ECADHO CNC(=O)[C@@H]1CCCN(C[C@@H](C)C[N@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000246875538 283392291 /nfs/dbraw/zinc/39/22/91/283392291.db2.gz JSXNJQLVIKVFHT-PHZGNYQRSA-N 1 3 338.496 0.539 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419696546 291196188 /nfs/dbraw/zinc/19/61/88/291196188.db2.gz OTSJTNWYYVALBM-OCCSQVGLSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419696546 291196189 /nfs/dbraw/zinc/19/61/89/291196189.db2.gz OTSJTNWYYVALBM-OCCSQVGLSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422974900 291196199 /nfs/dbraw/zinc/19/61/99/291196199.db2.gz RZGRVHMBPLDUEH-RYSNWHEDSA-N 1 3 340.468 0.205 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000420429089 209364660 /nfs/dbraw/zinc/36/46/60/209364660.db2.gz ZNKDBUUQRQLCDE-CQSZACIVSA-N 1 3 343.497 0.339 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420430096 209364459 /nfs/dbraw/zinc/36/44/59/209364459.db2.gz VJWZXKIVXPKPBW-KGLIPLIRSA-N 1 3 343.497 0.610 20 0 ECADHO NC[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000420077789 209299947 /nfs/dbraw/zinc/29/99/47/209299947.db2.gz YOKFYCUUJUPBLE-GDBMZVCRSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000420007648 209275901 /nfs/dbraw/zinc/27/59/01/209275901.db2.gz ZTQLZCCRCXVOAK-BZUAXINKSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419959992 209261733 /nfs/dbraw/zinc/26/17/33/209261733.db2.gz DSOKFWXBIIBRET-HOCLYGCPSA-N 1 3 338.496 0.858 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419959992 209261739 /nfs/dbraw/zinc/26/17/39/209261739.db2.gz DSOKFWXBIIBRET-HOCLYGCPSA-N 1 3 338.496 0.858 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419936246 209252819 /nfs/dbraw/zinc/25/28/19/209252819.db2.gz KSONSKBJEOJDSY-OAHLLOKOSA-N 1 3 336.480 0.722 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419903896 209244834 /nfs/dbraw/zinc/24/48/34/209244834.db2.gz ASDOWCTWTVAIGR-OAHLLOKOSA-N 1 3 332.448 0.745 20 0 ECADHO N[C@H](CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000419903341 209244365 /nfs/dbraw/zinc/24/43/65/209244365.db2.gz AMFPJGCLUGXJGQ-QGZVFWFLSA-N 1 3 344.459 0.889 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419890584 209240424 /nfs/dbraw/zinc/24/04/24/209240424.db2.gz ISVADGVLKXCDJH-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000419870850 209232667 /nfs/dbraw/zinc/23/26/67/209232667.db2.gz DUVFVCATSFCXFG-OAHLLOKOSA-N 1 3 348.447 0.064 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419853293 209226561 /nfs/dbraw/zinc/22/65/61/209226561.db2.gz FAHLSIWTYOJBTL-HZPDHXFCSA-N 1 3 336.480 0.579 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419852229 209226007 /nfs/dbraw/zinc/22/60/07/209226007.db2.gz CDZUMYIPMNHSDE-MRXNPFEDSA-N 1 3 340.512 0.929 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)o1 ZINC000419846386 209222880 /nfs/dbraw/zinc/22/28/80/209222880.db2.gz RNWSQWUASQGEMQ-CQSZACIVSA-N 1 3 336.436 0.346 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCC[NH2+]C1 ZINC000420106368 291381359 /nfs/dbraw/zinc/38/13/59/291381359.db2.gz RTNILWANZUOYJY-QAPCUYQASA-N 1 3 336.480 0.579 20 0 ECADHO CN(C)CCOc1ccccc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000237185118 242517461 /nfs/dbraw/zinc/51/74/61/242517461.db2.gz ZOQBKKATLBSVOX-UHFFFAOYSA-N 1 3 334.464 0.652 20 0 ECADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419723867 209189604 /nfs/dbraw/zinc/18/96/04/209189604.db2.gz OYKQNWBZZXGPRJ-KRWDZBQOSA-N 1 3 344.459 0.635 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000262887632 245234119 /nfs/dbraw/zinc/23/41/19/245234119.db2.gz OESINJUCFYLAPA-GOSISDBHSA-N 1 3 348.491 0.804 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000419654307 209158404 /nfs/dbraw/zinc/15/84/04/209158404.db2.gz ZRIWQOWSISQQNN-WMLDXEAASA-N 1 3 346.475 0.950 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1CN ZINC000419649582 209157046 /nfs/dbraw/zinc/15/70/46/209157046.db2.gz UBWYUVJYODFECM-CZUORRHYSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C[C@H]1C[NH3+] ZINC000419645568 209156371 /nfs/dbraw/zinc/15/63/71/209156371.db2.gz PGABQBSOXNSQDN-WMLDXEAASA-N 1 3 346.475 0.808 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C1=CCN(C)CC1 ZINC000419632884 209150787 /nfs/dbraw/zinc/15/07/87/209150787.db2.gz YDMYUKLEVUDXAX-DZGCQCFKSA-N 1 3 336.480 0.647 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419511141 209111887 /nfs/dbraw/zinc/11/18/87/209111887.db2.gz XARLGWOCLLKOAC-IAGOWNOFSA-N 1 3 344.459 0.574 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419511141 209111888 /nfs/dbraw/zinc/11/18/88/209111888.db2.gz XARLGWOCLLKOAC-IAGOWNOFSA-N 1 3 344.459 0.574 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418592260 284572391 /nfs/dbraw/zinc/57/23/91/284572391.db2.gz VBXCIRWIKWYMGR-GJZGRUSLSA-N 1 3 339.484 0.452 20 0 ECADHO CC1[C@@H](C(=O)NC[C@H]2CCCN2C)[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000449823308 211298503 /nfs/dbraw/zinc/29/85/03/211298503.db2.gz HBIJCIVGAMPIQP-KLHDSHLOSA-N 1 3 336.480 0.289 20 0 ECADHO CC1[C@@H](C(=O)NC[C@H]2CCCN2C)[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000449823308 211298507 /nfs/dbraw/zinc/29/85/07/211298507.db2.gz HBIJCIVGAMPIQP-KLHDSHLOSA-N 1 3 336.480 0.289 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCC2CC[NH+](C3CC3)CC2)CC1=O ZINC000446445958 211145202 /nfs/dbraw/zinc/14/52/02/211145202.db2.gz YTWHLNMVAPXBKR-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCC1 ZINC000410994538 208047467 /nfs/dbraw/zinc/04/74/67/208047467.db2.gz DMAWUGDQWUMXAB-KRWDZBQOSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCC1 ZINC000410994538 208047473 /nfs/dbraw/zinc/04/74/73/208047473.db2.gz DMAWUGDQWUMXAB-KRWDZBQOSA-N 1 3 336.480 0.483 20 0 ECADHO CNC(=O)[C@@H]1CCCN1CCC(C)CC[N@@H+]1CCC[C@H]1C(=O)NC ZINC000411188484 208070568 /nfs/dbraw/zinc/07/05/68/208070568.db2.gz LTYKUSWFDCFWHV-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CNC(=O)[C@@H]1CCCN1CCC(C)CC[N@H+]1CCC[C@H]1C(=O)NC ZINC000411188484 208070574 /nfs/dbraw/zinc/07/05/74/208070574.db2.gz LTYKUSWFDCFWHV-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)N(C(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CCCC1 ZINC000430626234 210391617 /nfs/dbraw/zinc/39/16/17/210391617.db2.gz LDKSYTMURMJCPK-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1C[NH3+] ZINC000418843610 208873082 /nfs/dbraw/zinc/87/30/82/208873082.db2.gz RZXQZXDCNLUXRJ-LSDHHAIUSA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419151720 209002105 /nfs/dbraw/zinc/00/21/05/209002105.db2.gz NOMLTSHOHCJTBL-HNNXBMFYSA-N 1 3 348.447 0.097 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000419160984 209006853 /nfs/dbraw/zinc/00/68/53/209006853.db2.gz RBAPHBSJCFXYHM-HOTGVXAUSA-N 1 3 338.496 0.681 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419165351 209007416 /nfs/dbraw/zinc/00/74/16/209007416.db2.gz GEJBJHKBOHARDU-OWCLPIDISA-N 1 3 336.480 0.435 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC(=O)NC ZINC000459105825 285278548 /nfs/dbraw/zinc/27/85/48/285278548.db2.gz PGFJYYUBHBTKFN-GJZGRUSLSA-N 1 3 341.500 0.569 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC(=O)NC ZINC000459105825 285278551 /nfs/dbraw/zinc/27/85/51/285278551.db2.gz PGFJYYUBHBTKFN-GJZGRUSLSA-N 1 3 341.500 0.569 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000419165877 209009639 /nfs/dbraw/zinc/00/96/39/209009639.db2.gz GTNRCAPLRKQKNZ-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419174682 209011643 /nfs/dbraw/zinc/01/16/43/209011643.db2.gz WDISPDZMWODDAI-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419221912 209030272 /nfs/dbraw/zinc/03/02/72/209030272.db2.gz AXSAMFPCFCVZER-RDJZCZTQSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N(C)CCN ZINC000419223820 209032693 /nfs/dbraw/zinc/03/26/93/209032693.db2.gz DSNXLIBPYLVBIG-QLPKVWCKSA-N 1 3 346.475 0.676 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N(C)CCN ZINC000419223820 209032696 /nfs/dbraw/zinc/03/26/96/209032696.db2.gz DSNXLIBPYLVBIG-QLPKVWCKSA-N 1 3 346.475 0.676 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419231172 209035753 /nfs/dbraw/zinc/03/57/53/209035753.db2.gz RHSIPZOVKXPMHI-GOEBONIOSA-N 1 3 332.448 0.349 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419416961 209087832 /nfs/dbraw/zinc/08/78/32/209087832.db2.gz HHOOJWFFLJHLIM-AWEZNQCLSA-N 1 3 344.459 0.897 20 0 ECADHO O=C(C[C@H]1CNCCO1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000296340710 258010775 /nfs/dbraw/zinc/01/07/75/258010775.db2.gz YSXMELAWGKJAFP-SJORKVTESA-N 1 3 332.448 0.931 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C(=O)NCCN)cc2)C1 ZINC000419345597 209065057 /nfs/dbraw/zinc/06/50/57/209065057.db2.gz UFWBVDBMGSLXBU-GASCZTMLSA-N 1 3 346.475 0.856 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C(=O)NCCN)cc2)C1 ZINC000419345597 209065059 /nfs/dbraw/zinc/06/50/59/209065059.db2.gz UFWBVDBMGSLXBU-GASCZTMLSA-N 1 3 346.475 0.856 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(-n2ccnn2)c1 ZINC000131513702 296667984 /nfs/dbraw/zinc/66/79/84/296667984.db2.gz GCZLCXJWQKESKI-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NCC2([NH+](C)C)CCOCC2)C1(C)C ZINC000188202766 286416338 /nfs/dbraw/zinc/41/63/38/286416338.db2.gz PEAFHEXYFBCUGO-DYVFJYSZSA-N 1 3 327.469 0.746 20 0 ECADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@]1(F)CC[NH2+]C1 ZINC000167418173 164820340 /nfs/dbraw/zinc/82/03/40/164820340.db2.gz JWAQOORIMKRXFZ-SFHVURJKSA-N 1 3 335.423 0.961 20 0 ECADHO CCN1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000189866454 165016653 /nfs/dbraw/zinc/01/66/53/165016653.db2.gz RBYLEXDVJXIJAW-UHFFFAOYSA-N 1 3 337.468 0.376 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cn1 ZINC000261828329 165249033 /nfs/dbraw/zinc/24/90/33/165249033.db2.gz TXZYMQLSVCVXJU-GXTWGEPZSA-N 1 3 336.440 0.017 20 0 ECADHO CC(C)CN1CCC(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000262355585 165336948 /nfs/dbraw/zinc/33/69/48/165336948.db2.gz JQEPWZDQBGUDJI-UHFFFAOYSA-N 1 3 345.509 0.390 20 0 ECADHO O=C(C[C@H]1CSCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000262836648 165393403 /nfs/dbraw/zinc/39/34/03/165393403.db2.gz WLFBGALAONBKBC-HNNXBMFYSA-N 1 3 327.494 0.652 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419406459 209082953 /nfs/dbraw/zinc/08/29/53/209082953.db2.gz IXFCFXLXRKXHHF-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419412624 209086539 /nfs/dbraw/zinc/08/65/39/209086539.db2.gz CPSSRWRLHNTTOH-KLHDSHLOSA-N 1 3 336.480 0.481 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000167211819 226183764 /nfs/dbraw/zinc/18/37/64/226183764.db2.gz YGPHGLMBNKGFIE-IRXDYDNUSA-N 1 3 346.475 0.615 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000167211819 226183768 /nfs/dbraw/zinc/18/37/68/226183768.db2.gz YGPHGLMBNKGFIE-IRXDYDNUSA-N 1 3 346.475 0.615 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1=O ZINC000174116211 263150425 /nfs/dbraw/zinc/15/04/25/263150425.db2.gz PJBFUOSFNSICLV-CQSZACIVSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000187375659 263160415 /nfs/dbraw/zinc/16/04/15/263160415.db2.gz XGFIFIIRZXUARS-INIZCTEOSA-N 1 3 328.501 0.968 20 0 ECADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000187375659 263160416 /nfs/dbraw/zinc/16/04/16/263160416.db2.gz XGFIFIIRZXUARS-INIZCTEOSA-N 1 3 328.501 0.968 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000284232483 264189013 /nfs/dbraw/zinc/18/90/13/264189013.db2.gz OKESLGIQHRHRTM-UHFFFAOYSA-N 1 3 346.475 0.919 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)Nc1ccnn1CCN(C)C ZINC000297423507 265146868 /nfs/dbraw/zinc/14/68/68/265146868.db2.gz OPCGIWPAYMBZFP-UHFFFAOYSA-N 1 3 326.445 0.535 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)Nc1ccnn1CCN(C)C ZINC000297423507 265146871 /nfs/dbraw/zinc/14/68/71/265146871.db2.gz OPCGIWPAYMBZFP-UHFFFAOYSA-N 1 3 326.445 0.535 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415773065 276794042 /nfs/dbraw/zinc/79/40/42/276794042.db2.gz DEKZYHRUPIRCLY-HZPDHXFCSA-N 1 3 344.459 0.940 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415773064 276794137 /nfs/dbraw/zinc/79/41/37/276794137.db2.gz DEKZYHRUPIRCLY-HOTGVXAUSA-N 1 3 344.459 0.940 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000419417054 277295678 /nfs/dbraw/zinc/29/56/78/277295678.db2.gz HQWNGNRZQKNQSS-IAGOWNOFSA-N 1 3 344.459 0.760 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418808524 277437552 /nfs/dbraw/zinc/43/75/52/277437552.db2.gz QYQLYRXSVUPTOC-AWEZNQCLSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000340201271 437597579 /nfs/dbraw/zinc/59/75/79/437597579.db2.gz FBGGPGRNPDOXBS-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000340201271 437597583 /nfs/dbraw/zinc/59/75/83/437597583.db2.gz FBGGPGRNPDOXBS-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000340201271 437597586 /nfs/dbraw/zinc/59/75/86/437597586.db2.gz FBGGPGRNPDOXBS-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1)C[NH+]1CCN(C)CC1 ZINC000237472673 278206962 /nfs/dbraw/zinc/20/69/62/278206962.db2.gz HRAAVXHUJOLYMQ-CRAIPNDOSA-N 1 3 330.476 0.701 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419021252 278230655 /nfs/dbraw/zinc/23/06/55/278230655.db2.gz GPRDCOFPDQNLEW-FXUDXRNXSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000422970516 278318665 /nfs/dbraw/zinc/31/86/65/278318665.db2.gz GNFCFJVFGSSVMU-CJNGLKHVSA-N 1 3 332.448 0.875 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423420976 278785533 /nfs/dbraw/zinc/78/55/33/278785533.db2.gz XKHZUILDOLLBQC-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420013219 278857058 /nfs/dbraw/zinc/85/70/58/278857058.db2.gz JANHSPBWHWDIKF-LSDHHAIUSA-N 1 3 326.485 0.666 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418950070 279126157 /nfs/dbraw/zinc/12/61/57/279126157.db2.gz SEWNUIJTZVPIQI-HOCLYGCPSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000419968062 279135138 /nfs/dbraw/zinc/13/51/38/279135138.db2.gz CVHZIUUPVNSDNW-HZPDHXFCSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419231142 279259273 /nfs/dbraw/zinc/25/92/73/279259273.db2.gz RAYAEJFVTQSXBQ-UXLLHSPISA-N 1 3 346.475 0.867 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000423215667 280276086 /nfs/dbraw/zinc/27/60/86/280276086.db2.gz OEROZNFDZJZHPE-OAHLLOKOSA-N 1 3 326.485 0.761 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332477237 297043501 /nfs/dbraw/zinc/04/35/01/297043501.db2.gz LOOVSYSHZJPQFN-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332477237 297043502 /nfs/dbraw/zinc/04/35/02/297043502.db2.gz LOOVSYSHZJPQFN-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000332479159 297043854 /nfs/dbraw/zinc/04/38/54/297043854.db2.gz PYHLIEOVBDXNSF-QLFBSQMISA-N 1 3 337.468 0.204 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332626206 297060200 /nfs/dbraw/zinc/06/02/00/297060200.db2.gz DMNQTGLOSKKJMH-HRCADAONSA-N 1 3 336.480 0.659 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000246747929 295498636 /nfs/dbraw/zinc/49/86/36/295498636.db2.gz ZPHPPCGKCBBMQM-IKGGRYGDSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420136206 297104749 /nfs/dbraw/zinc/10/47/49/297104749.db2.gz VYEHGBKBWCLAIO-OAGGEKHMSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH+]1CCC(C)(CNC(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000333289412 297121324 /nfs/dbraw/zinc/12/13/24/297121324.db2.gz JBLLNLCJJXQCGN-UHFFFAOYSA-N 1 3 347.467 0.740 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)C[C@H](C)O1 ZINC000333822767 297150707 /nfs/dbraw/zinc/15/07/07/297150707.db2.gz LCYWLHCAXQHVNU-KJCZYTORSA-N 1 3 336.480 0.735 20 0 ECADHO CN1CCN(CC2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000333846422 297151946 /nfs/dbraw/zinc/15/19/46/297151946.db2.gz PFEHSKZFZKTDCN-QGZVFWFLSA-N 1 3 337.512 0.798 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000333895992 297154848 /nfs/dbraw/zinc/15/48/48/297154848.db2.gz YGTRVACLCKTCOK-PBHICJAKSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1C[C@@H](C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000337568235 297196662 /nfs/dbraw/zinc/19/66/62/297196662.db2.gz BCPTVYYHOLUXGI-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1C[C@@H](C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CC1=O ZINC000337568235 297196664 /nfs/dbraw/zinc/19/66/64/297196664.db2.gz BCPTVYYHOLUXGI-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCCN(C)CC1 ZINC000338532379 297276347 /nfs/dbraw/zinc/27/63/47/297276347.db2.gz RWHMJHQXSMGMTA-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCCN(C)CC1 ZINC000338532379 297276349 /nfs/dbraw/zinc/27/63/49/297276349.db2.gz RWHMJHQXSMGMTA-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)c2ccc(CN(C)C)nc2)CC1 ZINC000339241516 297328038 /nfs/dbraw/zinc/32/80/38/297328038.db2.gz FFKUFOSWKCAZAE-UHFFFAOYSA-N 1 3 333.480 0.901 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC[N@@H+]1C ZINC000339746526 297377453 /nfs/dbraw/zinc/37/74/53/297377453.db2.gz UFLVICSYHLKXRK-PBHICJAKSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC[N@H+]1C ZINC000339746526 297377454 /nfs/dbraw/zinc/37/74/54/297377454.db2.gz UFLVICSYHLKXRK-PBHICJAKSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339748613 297378014 /nfs/dbraw/zinc/37/80/14/297378014.db2.gz GBZFRLQYTCAQDR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340297806 297465380 /nfs/dbraw/zinc/46/53/80/297465380.db2.gz LLWVURPRBVFEIR-HUUCEWRRSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CC1(N(C)C)CCC1)C[NH+]1CCCC1 ZINC000340806073 297551328 /nfs/dbraw/zinc/55/13/28/297551328.db2.gz WJFXGUQDMNQEFK-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000346198404 298237253 /nfs/dbraw/zinc/23/72/53/298237253.db2.gz YVMQUOLDHVFYNU-LSDHHAIUSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000419172434 298676614 /nfs/dbraw/zinc/67/66/14/298676614.db2.gz QWWYBTMALFOTLA-PMPSAXMXSA-N 1 3 338.496 0.951 20 0 ECADHO COC[C@H](CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000353291558 299033349 /nfs/dbraw/zinc/03/33/49/299033349.db2.gz COQOXSWKDBFWEA-HNNXBMFYSA-N 1 3 342.484 0.242 20 0 ECADHO CO[C@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000353453840 299050042 /nfs/dbraw/zinc/05/00/42/299050042.db2.gz SJUNXPYVPOTOOU-HZPDHXFCSA-N 1 3 348.447 0.765 20 0 ECADHO CN(C)[C@@]1(CNC(=O)NCC2CC[NH+](CCO)CC2)CCSC1 ZINC000360668754 300012993 /nfs/dbraw/zinc/01/29/93/300012993.db2.gz KKKKIXHYOAQSSJ-MRXNPFEDSA-N 1 3 344.525 0.427 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000360854273 300032629 /nfs/dbraw/zinc/03/26/29/300032629.db2.gz YNDPSZGCVLAEMC-GVDBMIGSSA-N 1 3 336.480 0.977 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000360854272 300032821 /nfs/dbraw/zinc/03/28/21/300032821.db2.gz YNDPSZGCVLAEMC-BRWVUGGUSA-N 1 3 336.480 0.977 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](CC)CC ZINC000361867241 300135374 /nfs/dbraw/zinc/13/53/74/300135374.db2.gz FYSUOOHTYQCPQY-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343639072 300217695 /nfs/dbraw/zinc/21/76/95/300217695.db2.gz LFDJYYNVNSCLBH-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343639072 300217697 /nfs/dbraw/zinc/21/76/97/300217697.db2.gz LFDJYYNVNSCLBH-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CNC(=O)N1CCCN(CC(C)(C)O)CC1)[N@H+](C)C1CC1 ZINC000364669074 300377562 /nfs/dbraw/zinc/37/75/62/300377562.db2.gz XDKILTCMYZNXCF-AWEZNQCLSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H](CNC(=O)N1CCCN(CC(C)(C)O)CC1)[N@@H+](C)C1CC1 ZINC000364669074 300377564 /nfs/dbraw/zinc/37/75/64/300377564.db2.gz XDKILTCMYZNXCF-AWEZNQCLSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000423226087 300793366 /nfs/dbraw/zinc/79/33/66/300793366.db2.gz PJGPQISAUSYKFP-CRAIPNDOSA-N 1 3 336.480 0.661 20 0 ECADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCOCC1 ZINC000073215184 436072022 /nfs/dbraw/zinc/07/20/22/436072022.db2.gz HXDMZDZUDSKEEM-HUUCEWRRSA-N 1 3 340.468 0.260 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000074160782 436111347 /nfs/dbraw/zinc/11/13/47/436111347.db2.gz GEMZAGSMHUEPSB-JKSUJKDBSA-N 1 3 325.501 0.511 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000074160782 436111352 /nfs/dbraw/zinc/11/13/52/436111352.db2.gz GEMZAGSMHUEPSB-JKSUJKDBSA-N 1 3 325.501 0.511 20 0 ECADHO Cc1c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000373041284 301041783 /nfs/dbraw/zinc/04/17/83/301041783.db2.gz ZKXHZQXRTGWUFL-NHYWBVRUSA-N 1 3 332.452 0.724 20 0 ECADHO CO[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000375607221 301191001 /nfs/dbraw/zinc/19/10/01/301191001.db2.gz LIRBYOZHCYHRQP-QGZVFWFLSA-N 1 3 349.479 0.782 20 0 ECADHO CCCNC(=O)NC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376800495 301293655 /nfs/dbraw/zinc/29/36/55/301293655.db2.gz ZTWNMYXFZBFMHF-HNNXBMFYSA-N 1 3 339.484 0.323 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1[C@H]2COC[C@H]21 ZINC000377298513 301337785 /nfs/dbraw/zinc/33/77/85/301337785.db2.gz UCANHDGHSJYRPC-LUKYLMHMSA-N 1 3 338.496 0.936 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1[C@H]2COC[C@H]21 ZINC000377298513 301337786 /nfs/dbraw/zinc/33/77/86/301337786.db2.gz UCANHDGHSJYRPC-LUKYLMHMSA-N 1 3 338.496 0.936 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000377582568 301361746 /nfs/dbraw/zinc/36/17/46/301361746.db2.gz GBSSXKVVDZHZBJ-CABCVRRESA-N 1 3 325.453 0.991 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(CC2CCOCC2)CC1 ZINC000077601355 436242974 /nfs/dbraw/zinc/24/29/74/436242974.db2.gz OJPBQFYWAYQPHZ-MRXNPFEDSA-N 1 3 336.480 0.977 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(CC2CCOCC2)CC1 ZINC000077601355 436242978 /nfs/dbraw/zinc/24/29/78/436242978.db2.gz OJPBQFYWAYQPHZ-MRXNPFEDSA-N 1 3 336.480 0.977 20 0 ECADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(C[NH3+])CC1 ZINC000430659273 301470675 /nfs/dbraw/zinc/47/06/75/301470675.db2.gz ZDJVYZFVHFGTTD-AWEZNQCLSA-N 1 3 332.452 0.184 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)CC1=O ZINC000081338341 436343731 /nfs/dbraw/zinc/34/37/31/436343731.db2.gz ORCXJHRQHGMTIX-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000081458072 436347428 /nfs/dbraw/zinc/34/74/28/436347428.db2.gz MPVTZOXGZNYGEP-MRXNPFEDSA-N 1 3 338.496 0.635 20 0 ECADHO Cc1cc(C)cc(C(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000081737729 436354420 /nfs/dbraw/zinc/35/44/20/436354420.db2.gz OQPQALJCQRAISN-UHFFFAOYSA-N 1 3 348.491 0.985 20 0 ECADHO CN1CCN([C@H]2CCCCN(C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC000091843976 436462899 /nfs/dbraw/zinc/46/28/99/436462899.db2.gz WNCCEXULEJEKTJ-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038588 436426932 /nfs/dbraw/zinc/42/69/32/436426932.db2.gz RPYYMJXFYLIYIM-AWEZNQCLSA-N 1 3 334.464 0.934 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ncn(C)n1 ZINC000092378635 436469872 /nfs/dbraw/zinc/46/98/72/436469872.db2.gz SEMLAZGECLCHHM-AWEZNQCLSA-N 1 3 337.472 0.373 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ncn(C)n1 ZINC000092378635 436469874 /nfs/dbraw/zinc/46/98/74/436469874.db2.gz SEMLAZGECLCHHM-AWEZNQCLSA-N 1 3 337.472 0.373 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)CNC(=O)C(C)(C)C)CC2)CC1 ZINC000050801177 436478418 /nfs/dbraw/zinc/47/84/18/436478418.db2.gz WUJDFEBAJCZUKC-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(N(C)C)nc1 ZINC000524905348 301827949 /nfs/dbraw/zinc/82/79/49/301827949.db2.gz HYMBLUWOCWNCOA-UHFFFAOYSA-N 1 3 336.484 0.782 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)N1CCN(C)CC1 ZINC000105105890 436570675 /nfs/dbraw/zinc/57/06/75/436570675.db2.gz ANZSNRVURNKCBH-QGZVFWFLSA-N 1 3 339.528 0.899 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000530906570 302034645 /nfs/dbraw/zinc/03/46/45/302034645.db2.gz KFTZPSSHWOAGQX-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000530906570 302034648 /nfs/dbraw/zinc/03/46/48/302034648.db2.gz KFTZPSSHWOAGQX-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111819015 436632465 /nfs/dbraw/zinc/63/24/65/436632465.db2.gz FZSJGRCWURFBQZ-OAHLLOKOSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)n1nnnc1C(C)(C)C ZINC000544626899 302224988 /nfs/dbraw/zinc/22/49/88/302224988.db2.gz XUGLFBQWRLHPTL-CYBMUJFWSA-N 1 3 339.488 0.483 20 0 ECADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000547276282 302253981 /nfs/dbraw/zinc/25/39/81/302253981.db2.gz YBDGCZHZFIAJHV-GOSISDBHSA-N 1 3 332.448 0.789 20 0 ECADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000547296975 302254030 /nfs/dbraw/zinc/25/40/30/302254030.db2.gz KPFLMUCQNNCCIL-WMLDXEAASA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000547296975 302254032 /nfs/dbraw/zinc/25/40/32/302254032.db2.gz KPFLMUCQNNCCIL-WMLDXEAASA-N 1 3 326.485 0.863 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000550654199 302347665 /nfs/dbraw/zinc/34/76/65/302347665.db2.gz MQLWCJYJESSFQG-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000551916528 302371852 /nfs/dbraw/zinc/37/18/52/302371852.db2.gz MPNMQBHHKSGUKX-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000194917693 436674020 /nfs/dbraw/zinc/67/40/20/436674020.db2.gz USEVYWMTXZZTME-GASCZTMLSA-N 1 3 330.432 0.707 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000194917693 436674022 /nfs/dbraw/zinc/67/40/22/436674022.db2.gz USEVYWMTXZZTME-GASCZTMLSA-N 1 3 330.432 0.707 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000153347706 436754247 /nfs/dbraw/zinc/75/42/47/436754247.db2.gz ZHLAWWUSOWWOJJ-INIZCTEOSA-N 1 3 348.495 0.795 20 0 ECADHO CC[N@H+](CCCC1CCN([C@@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC000245726824 436766637 /nfs/dbraw/zinc/76/66/37/436766637.db2.gz IQFLTNUOGMSBIU-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO CC[N@@H+](CCCC1CCN([C@@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC000245726824 436766638 /nfs/dbraw/zinc/76/66/38/436766638.db2.gz IQFLTNUOGMSBIU-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154330354 436776285 /nfs/dbraw/zinc/77/62/85/436776285.db2.gz FLSRVBOHKZGHNF-MRXNPFEDSA-N 1 3 326.485 0.861 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000246905739 436786852 /nfs/dbraw/zinc/78/68/52/436786852.db2.gz ZHKWFCRNEGXTCU-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000246905739 436786855 /nfs/dbraw/zinc/78/68/55/436786855.db2.gz ZHKWFCRNEGXTCU-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000130584788 436839027 /nfs/dbraw/zinc/83/90/27/436839027.db2.gz IHTCSJOAQGXQAV-HNNXBMFYSA-N 1 3 332.448 0.594 20 0 ECADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000263315510 436962303 /nfs/dbraw/zinc/96/23/03/436962303.db2.gz ZKBNYNYKGRIFBL-QAPCUYQASA-N 1 3 336.480 0.661 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420431952 302805836 /nfs/dbraw/zinc/80/58/36/302805836.db2.gz GPHAIYNRZGXZPJ-FZMZJTMJSA-N 1 3 343.497 0.338 20 0 ECADHO CC1CC[NH+](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000136231895 436928656 /nfs/dbraw/zinc/92/86/56/436928656.db2.gz PJHKZYVUVJVBOT-UHFFFAOYSA-N 1 3 336.480 0.485 20 0 ECADHO CS(=O)(=O)N1CC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294126497 436934676 /nfs/dbraw/zinc/93/46/76/436934676.db2.gz FBPDHHRKBDDXIW-CQSZACIVSA-N 1 3 338.477 0.922 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263279439 436960382 /nfs/dbraw/zinc/96/03/82/436960382.db2.gz TZKUJTMOIULDLL-MAUKXSAKSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000331405121 437089937 /nfs/dbraw/zinc/08/99/37/437089937.db2.gz DYSIRASIDNQDIO-GASCZTMLSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000331405121 437089942 /nfs/dbraw/zinc/08/99/42/437089942.db2.gz DYSIRASIDNQDIO-GASCZTMLSA-N 1 3 338.496 0.681 20 0 ECADHO CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000174730013 437086982 /nfs/dbraw/zinc/08/69/82/437086982.db2.gz HWXLYBCVOFGVHJ-QGZVFWFLSA-N 1 3 348.495 0.485 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331436057 437095897 /nfs/dbraw/zinc/09/58/97/437095897.db2.gz QXVPDVMSJYVUJG-QKPAOTATSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000276463798 437109239 /nfs/dbraw/zinc/10/92/39/437109239.db2.gz ARPHOOOZXXBITM-INIZCTEOSA-N 1 3 344.503 0.988 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000175780536 437117800 /nfs/dbraw/zinc/11/78/00/437117800.db2.gz RMCXQTPBQRMOIW-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000331658113 437138362 /nfs/dbraw/zinc/13/83/62/437138362.db2.gz SZDORCAKBKZNEX-CABCVRRESA-N 1 3 337.468 0.206 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000331674354 437140568 /nfs/dbraw/zinc/14/05/68/437140568.db2.gz SGZCSDMUMBNXPC-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000177849028 437200920 /nfs/dbraw/zinc/20/09/20/437200920.db2.gz VBSMOKDFAKBGPL-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000177849028 437200922 /nfs/dbraw/zinc/20/09/22/437200922.db2.gz VBSMOKDFAKBGPL-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H](NC(=O)CN1CCNCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310150398 437171009 /nfs/dbraw/zinc/17/10/09/437171009.db2.gz OXZGLAAKMRUACE-SJLPKXTDSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@@H](NC(=O)CN1CCNCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310150398 437171011 /nfs/dbraw/zinc/17/10/11/437171011.db2.gz OXZGLAAKMRUACE-SJLPKXTDSA-N 1 3 330.476 0.918 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000332591905 437234386 /nfs/dbraw/zinc/23/43/86/437234386.db2.gz GJTWEAJJVAFEFC-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332640381 437237629 /nfs/dbraw/zinc/23/76/29/437237629.db2.gz HKUADWYTFCKVON-HZPDHXFCSA-N 1 3 336.480 0.661 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](C[NH2+]C)C2)CC1=O ZINC000178971815 437244827 /nfs/dbraw/zinc/24/48/27/437244827.db2.gz UPTKNTFRSALGRD-BZUAXINKSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[C@H](CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC000333127529 437259438 /nfs/dbraw/zinc/25/94/38/437259438.db2.gz JCSQIGBTOXKHAF-OAGGEKHMSA-N 1 3 345.509 0.501 20 0 ECADHO CC(C)N1CCN(CCC[N@H+](C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000337257671 437343557 /nfs/dbraw/zinc/34/35/57/437343557.db2.gz UKIREAUCCIBRCQ-GOSISDBHSA-N 1 3 342.528 0.027 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+](C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000337257671 437343559 /nfs/dbraw/zinc/34/35/59/437343559.db2.gz UKIREAUCCIBRCQ-GOSISDBHSA-N 1 3 342.528 0.027 20 0 ECADHO CC(C)N1CCN(CCC[N@H+](C)C[C@H](O)CN2CCOCC2)CC1 ZINC000337257672 437343779 /nfs/dbraw/zinc/34/37/79/437343779.db2.gz UKIREAUCCIBRCQ-SFHVURJKSA-N 1 3 342.528 0.027 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+](C)C[C@H](O)CN2CCOCC2)CC1 ZINC000337257672 437343780 /nfs/dbraw/zinc/34/37/80/437343780.db2.gz UKIREAUCCIBRCQ-SFHVURJKSA-N 1 3 342.528 0.027 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1)C(C)C ZINC000339611989 437478443 /nfs/dbraw/zinc/47/84/43/437478443.db2.gz ATFXIOIUEHEHNZ-HNNXBMFYSA-N 1 3 326.485 0.774 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339651288 437484089 /nfs/dbraw/zinc/48/40/89/437484089.db2.gz LOLLIKIVSNBHAP-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000339656004 437485444 /nfs/dbraw/zinc/48/54/44/437485444.db2.gz ZBCJZNIFOBQPIU-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000339656004 437485445 /nfs/dbraw/zinc/48/54/45/437485445.db2.gz ZBCJZNIFOBQPIU-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000339922045 437519012 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CS[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1N(C)C ZINC000330691323 437590133 /nfs/dbraw/zinc/59/01/33/437590133.db2.gz BEUNEWOOVSBTIJ-OLZOCXBDSA-N 1 3 340.497 0.954 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000343484268 437590850 /nfs/dbraw/zinc/59/08/50/437590850.db2.gz XZIRWKHIHKGNKX-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000343484268 437590853 /nfs/dbraw/zinc/59/08/53/437590853.db2.gz XZIRWKHIHKGNKX-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO C[C@@H]1[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCN1C ZINC000343776178 437653566 /nfs/dbraw/zinc/65/35/66/437653566.db2.gz CUZDIZUAYNVUHT-QLFBSQMISA-N 1 3 339.484 0.356 20 0 ECADHO C[C@@H]1[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCN1C ZINC000343776178 437653570 /nfs/dbraw/zinc/65/35/70/437653570.db2.gz CUZDIZUAYNVUHT-QLFBSQMISA-N 1 3 339.484 0.356 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343789422 437657443 /nfs/dbraw/zinc/65/74/43/437657443.db2.gz WCLBLXAQIZFTKQ-GDBMZVCRSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000343789422 437657446 /nfs/dbraw/zinc/65/74/46/437657446.db2.gz WCLBLXAQIZFTKQ-GDBMZVCRSA-N 1 3 336.480 0.720 20 0 ECADHO CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000331045228 437677049 /nfs/dbraw/zinc/67/70/49/437677049.db2.gz FLSMTORMPZLVOJ-YQQAZPJKSA-N 1 3 327.469 0.258 20 0 ECADHO CCOC(=O)[C@](C)(O)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000331045228 437677054 /nfs/dbraw/zinc/67/70/54/437677054.db2.gz FLSMTORMPZLVOJ-YQQAZPJKSA-N 1 3 327.469 0.258 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340523899 437683171 /nfs/dbraw/zinc/68/31/71/437683171.db2.gz XCQNZAJBHKVDLQ-DOTOQJQBSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340523899 437683175 /nfs/dbraw/zinc/68/31/75/437683175.db2.gz XCQNZAJBHKVDLQ-DOTOQJQBSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)NC(=O)NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000344030023 437721400 /nfs/dbraw/zinc/72/14/00/437721400.db2.gz BOHYAGOSTVWXTI-CQSZACIVSA-N 1 3 329.489 0.424 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000423599650 437772018 /nfs/dbraw/zinc/77/20/18/437772018.db2.gz XPHDLJWHKNDLDV-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccn1 ZINC000362434028 437738797 /nfs/dbraw/zinc/73/87/97/437738797.db2.gz RAYNVLVAZTXBAK-CVEARBPZSA-N 1 3 348.447 0.615 20 0 ECADHO CCC[N@@H+](CCC(=O)N1CCOCC1)CCN1CCN(CC)CC1 ZINC000344157743 437740403 /nfs/dbraw/zinc/74/04/03/437740403.db2.gz WMAVNFOAFIETBE-UHFFFAOYSA-N 1 3 340.512 0.585 20 0 ECADHO CCC[N@H+](CCC(=O)N1CCOCC1)CCN1CCN(CC)CC1 ZINC000344157743 437740405 /nfs/dbraw/zinc/74/04/05/437740405.db2.gz WMAVNFOAFIETBE-UHFFFAOYSA-N 1 3 340.512 0.585 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000331378350 437747131 /nfs/dbraw/zinc/74/71/31/437747131.db2.gz DEELZEJXCFXWTH-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000423743212 437821055 /nfs/dbraw/zinc/82/10/55/437821055.db2.gz JSXLFBMYDTYVKS-JKSUJKDBSA-N 1 3 349.479 0.990 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)CC1=O ZINC000364774986 437824405 /nfs/dbraw/zinc/82/44/05/437824405.db2.gz HJFZNQYQUUCANJ-OWCLPIDISA-N 1 3 336.480 0.578 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1COCCO1 ZINC000341025733 437777434 /nfs/dbraw/zinc/77/74/34/437777434.db2.gz VDHQLRPXPURMHO-JKSUJKDBSA-N 1 3 342.484 0.459 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1COCCO1 ZINC000341025733 437777443 /nfs/dbraw/zinc/77/74/43/437777443.db2.gz VDHQLRPXPURMHO-JKSUJKDBSA-N 1 3 342.484 0.459 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)CC1 ZINC000415350571 437788781 /nfs/dbraw/zinc/78/87/81/437788781.db2.gz GBWLIARGEBHPNV-AWEZNQCLSA-N 1 3 345.447 0.327 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c(OCCN(C)C)c1 ZINC000415378075 437793548 /nfs/dbraw/zinc/79/35/48/437793548.db2.gz HABFRZKYJODRAN-UHFFFAOYSA-N 1 3 336.436 0.727 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000363581404 437800534 /nfs/dbraw/zinc/80/05/34/437800534.db2.gz XPCIQACLTLNVBL-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO CN(C)CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423724956 437814821 /nfs/dbraw/zinc/81/48/21/437814821.db2.gz IUTRKPIERHMXEY-INIZCTEOSA-N 1 3 332.448 0.445 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000365183996 437868757 /nfs/dbraw/zinc/86/87/57/437868757.db2.gz YYWIZPVTCQDCRY-STQMWFEESA-N 1 3 336.484 0.470 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415627935 437833390 /nfs/dbraw/zinc/83/33/90/437833390.db2.gz TUAMBULOFAEYSU-CJNGLKHVSA-N 1 3 348.447 0.680 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000370773871 437836653 /nfs/dbraw/zinc/83/66/53/437836653.db2.gz PPQVYNOXDSDBIQ-SJLPKXTDSA-N 1 3 340.512 0.392 20 0 ECADHO CO[C@@H]1CN[C@@H](C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000365152781 437865281 /nfs/dbraw/zinc/86/52/81/437865281.db2.gz DCXAEBYBBDMOGM-HRCADAONSA-N 1 3 347.415 0.911 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000357107865 437915994 /nfs/dbraw/zinc/91/59/94/437915994.db2.gz DSXUJFUVBRXDJI-IAGOWNOFSA-N 1 3 340.512 0.630 20 0 ECADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000341950556 437929923 /nfs/dbraw/zinc/92/99/23/437929923.db2.gz IMXGTFNTHWDPPF-FGTMMUONSA-N 1 3 326.529 0.695 20 0 ECADHO O=C(NCc1ccc2c(c1)CNC2)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424157286 437894866 /nfs/dbraw/zinc/89/48/66/437894866.db2.gz NCEHIYJJZNPGIX-OAHLLOKOSA-N 1 3 326.404 0.736 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)C1([NH3+])CCCC1 ZINC000371269526 437907100 /nfs/dbraw/zinc/90/71/00/437907100.db2.gz ADFITLQNDSNAJT-UHFFFAOYSA-N 1 3 348.495 0.758 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N(C)C2CC2)[C@H](C)C1 ZINC000342070453 437959009 /nfs/dbraw/zinc/95/90/09/437959009.db2.gz FHECSYVAFLGPOD-YCPHGPKFSA-N 1 3 338.496 0.774 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N(C)C2CC2)[C@H](C)C1 ZINC000342070453 437959016 /nfs/dbraw/zinc/95/90/16/437959016.db2.gz FHECSYVAFLGPOD-YCPHGPKFSA-N 1 3 338.496 0.774 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCNC(C)(C)C2)CC1=O ZINC000357319388 437964721 /nfs/dbraw/zinc/96/47/21/437964721.db2.gz HXFYKYWGWMKTQD-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCNC(C)(C)C2)CC1=O ZINC000357319388 437964726 /nfs/dbraw/zinc/96/47/26/437964726.db2.gz HXFYKYWGWMKTQD-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417008119 438013759 /nfs/dbraw/zinc/01/37/59/438013759.db2.gz IFKMXGQMEWTOCB-OAHLLOKOSA-N 1 3 339.484 0.215 20 0 ECADHO CN1CCC[C@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417285293 438036403 /nfs/dbraw/zinc/03/64/03/438036403.db2.gz LHBLLFINQRPYQX-KBPBESRZSA-N 1 3 325.457 0.110 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000417340962 438042137 /nfs/dbraw/zinc/04/21/37/438042137.db2.gz BACBASPGUJKWQA-OAHLLOKOSA-N 1 3 336.436 0.496 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000357681453 438042597 /nfs/dbraw/zinc/04/25/97/438042597.db2.gz LGWRFGKFLFTHKB-AWEZNQCLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417426767 438048302 /nfs/dbraw/zinc/04/83/02/438048302.db2.gz HUYVXKSFMAVIFT-ILXRZTDVSA-N 1 3 339.484 0.226 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000416980484 438010814 /nfs/dbraw/zinc/01/08/14/438010814.db2.gz UJXDOUOACWJAJH-GJZGRUSLSA-N 1 3 325.501 0.829 20 0 ECADHO CCN1CCN(CCC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000342949491 438092647 /nfs/dbraw/zinc/09/26/47/438092647.db2.gz DGBSDKIYAPZGBB-KRWDZBQOSA-N 1 3 340.512 0.367 20 0 ECADHO CCN1CCN(CCC(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000342949491 438092650 /nfs/dbraw/zinc/09/26/50/438092650.db2.gz DGBSDKIYAPZGBB-KRWDZBQOSA-N 1 3 340.512 0.367 20 0 ECADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000417953258 438094174 /nfs/dbraw/zinc/09/41/74/438094174.db2.gz PDGSIJPNSYAMOC-UONOGXRCSA-N 1 3 335.452 0.914 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000348759526 438095751 /nfs/dbraw/zinc/09/57/51/438095751.db2.gz BHXQAWYJGORGFZ-LSDHHAIUSA-N 1 3 336.480 0.601 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000348759526 438095754 /nfs/dbraw/zinc/09/57/54/438095754.db2.gz BHXQAWYJGORGFZ-LSDHHAIUSA-N 1 3 336.480 0.601 20 0 ECADHO [NH3+]C1(CNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCC1 ZINC000417983757 438097102 /nfs/dbraw/zinc/09/71/02/438097102.db2.gz CNAVZFKAKPEHRC-INIZCTEOSA-N 1 3 332.448 0.934 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000348767903 438097781 /nfs/dbraw/zinc/09/77/81/438097781.db2.gz YGIXHDQFAUKPKM-OAHLLOKOSA-N 1 3 338.496 0.799 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000348767903 438097788 /nfs/dbraw/zinc/09/77/88/438097788.db2.gz YGIXHDQFAUKPKM-OAHLLOKOSA-N 1 3 338.496 0.799 20 0 ECADHO CCN1CCO[C@H](CN2CC[NH+](CCCn3ccnc3C)CC2)C1 ZINC000372255921 438057793 /nfs/dbraw/zinc/05/77/93/438057793.db2.gz PDQKPCXWTKRTCU-SFHVURJKSA-N 1 3 335.496 0.920 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366411274 438069090 /nfs/dbraw/zinc/06/90/90/438069090.db2.gz IGLZSTIAUNAEAF-SJLPKXTDSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366411274 438069095 /nfs/dbraw/zinc/06/90/95/438069095.db2.gz IGLZSTIAUNAEAF-SJLPKXTDSA-N 1 3 337.512 0.750 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)CC1 ZINC000372365795 438079434 /nfs/dbraw/zinc/07/94/34/438079434.db2.gz LNBJNHUPCWUOBP-IAGOWNOFSA-N 1 3 338.496 0.384 20 0 ECADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccncc1OCCN(C)C ZINC000418185838 438116603 /nfs/dbraw/zinc/11/66/03/438116603.db2.gz BMLPOCJJTXUBBQ-HIFRSBDPSA-N 1 3 335.452 0.962 20 0 ECADHO CN(C)CCOc1cnccc1CNC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000418199004 438118092 /nfs/dbraw/zinc/11/80/92/438118092.db2.gz WMCVUJDCFWVIBJ-UKRRQHHQSA-N 1 3 335.452 0.949 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)COC2CNC2)c1 ZINC000430754090 438120787 /nfs/dbraw/zinc/12/07/87/438120787.db2.gz LHVHURNCZJFYPQ-UHFFFAOYSA-N 1 3 348.447 0.685 20 0 ECADHO CCN1CCN(CCC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000349030779 438128072 /nfs/dbraw/zinc/12/80/72/438128072.db2.gz STBIDKRBOCMQSX-HNNXBMFYSA-N 1 3 331.464 0.864 20 0 ECADHO C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CCN(C2CCC2)C1 ZINC000418286689 438124583 /nfs/dbraw/zinc/12/45/83/438124583.db2.gz IKMPWAWDDVBOJM-MRXNPFEDSA-N 1 3 337.512 0.798 20 0 ECADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418289640 438124638 /nfs/dbraw/zinc/12/46/38/438124638.db2.gz OZQDRIRNURONFD-ULQDDVLXSA-N 1 3 337.512 0.653 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)CC1(C)C ZINC000373019265 438126105 /nfs/dbraw/zinc/12/61/05/438126105.db2.gz CXDVCJGKIILXGB-HZPDHXFCSA-N 1 3 337.512 0.748 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)CC1(C)C ZINC000373019265 438126109 /nfs/dbraw/zinc/12/61/09/438126109.db2.gz CXDVCJGKIILXGB-HZPDHXFCSA-N 1 3 337.512 0.748 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000343026014 438106114 /nfs/dbraw/zinc/10/61/14/438106114.db2.gz RTUYCXYIKHPDRA-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000358089104 438150051 /nfs/dbraw/zinc/15/00/51/438150051.db2.gz BUGIRBADPRFAEG-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000358089104 438150056 /nfs/dbraw/zinc/15/00/56/438150056.db2.gz BUGIRBADPRFAEG-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418583308 438162765 /nfs/dbraw/zinc/16/27/65/438162765.db2.gz AWIQDTBHUAVUKL-SZVBFZGTSA-N 1 3 346.475 0.921 20 0 ECADHO CN(CC(=O)NCc1ccco1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117482 438168209 /nfs/dbraw/zinc/16/82/09/438168209.db2.gz PQSSODYBAPVDNE-INIZCTEOSA-N 1 3 334.464 0.996 20 0 ECADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418647890 438171590 /nfs/dbraw/zinc/17/15/90/438171590.db2.gz HACOVRBDBXIZNE-WMZOPIPTSA-N 1 3 345.491 0.938 20 0 ECADHO C[C@H](O)COC(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373897815 438174260 /nfs/dbraw/zinc/17/42/60/438174260.db2.gz CXUSOPRAVIFIIY-JYJNAYRXSA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H](O)COC(=O)CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000373897815 438174265 /nfs/dbraw/zinc/17/42/65/438174265.db2.gz CXUSOPRAVIFIIY-JYJNAYRXSA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H](O)COC(=O)CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000373897815 438174269 /nfs/dbraw/zinc/17/42/69/438174269.db2.gz CXUSOPRAVIFIIY-JYJNAYRXSA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@@H]1C[NH3+] ZINC000418843608 438212676 /nfs/dbraw/zinc/21/26/76/438212676.db2.gz RZXQZXDCNLUXRJ-GJZGRUSLSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@H]1[NH3+] ZINC000418855565 438221222 /nfs/dbraw/zinc/22/12/22/438221222.db2.gz VAIKWTWXMOKKRO-VNQPRFMTSA-N 1 3 332.448 0.081 20 0 ECADHO C[C@@H](CCN1CCOCC1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433127745 438224471 /nfs/dbraw/zinc/22/44/71/438224471.db2.gz UDVDYCHEXBSZQU-HNNXBMFYSA-N 1 3 326.485 0.417 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000418866156 438226119 /nfs/dbraw/zinc/22/61/19/438226119.db2.gz NJHOPPMUUSTTQQ-ZDUSSCGKSA-N 1 3 326.485 0.857 20 0 ECADHO [NH3+]C1CCN(CCCC(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000433137639 438226507 /nfs/dbraw/zinc/22/65/07/438226507.db2.gz ULQYHCOHVRETMI-INIZCTEOSA-N 1 3 338.496 0.370 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000418867936 438226562 /nfs/dbraw/zinc/22/65/62/438226562.db2.gz VGPQFTWCMLDTBU-DJIMGWMZSA-N 1 3 346.475 0.991 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[NH2+]1 ZINC000418878339 438233081 /nfs/dbraw/zinc/23/30/81/438233081.db2.gz QXDIGOYCFGOKSU-OIISXLGYSA-N 1 3 346.475 0.532 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418876761 438233326 /nfs/dbraw/zinc/23/33/26/438233326.db2.gz MOQLOLMMVRLIJK-HYVNUMGLSA-N 1 3 346.475 0.390 20 0 ECADHO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC2(C1)CC[NH2+]CC2 ZINC000358496852 438238394 /nfs/dbraw/zinc/23/83/94/438238394.db2.gz JZVLZKPGXPLTIU-JTQLQIEISA-N 1 3 336.358 0.839 20 0 ECADHO CN1CC[NH+](CC2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)CC1 ZINC000433329881 438238591 /nfs/dbraw/zinc/23/85/91/438238591.db2.gz HWXHKELKIMONJA-KRWDZBQOSA-N 1 3 349.523 0.892 20 0 ECADHO CNC(=O)c1ccc(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)nn1 ZINC000367460925 438209228 /nfs/dbraw/zinc/20/92/28/438209228.db2.gz MUKIAHWRCBFHLK-ZDUSSCGKSA-N 1 3 332.452 0.441 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCC(C)(C)N1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418843405 438210709 /nfs/dbraw/zinc/21/07/09/438210709.db2.gz RUPCREHWMJQDBV-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418937573 438255452 /nfs/dbraw/zinc/25/54/52/438255452.db2.gz CVMCLBQOYFUUFB-HUUCEWRRSA-N 1 3 334.464 0.737 20 0 ECADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)CC1 ZINC000433579842 438258692 /nfs/dbraw/zinc/25/86/92/438258692.db2.gz CQWXRBISUCSQTL-AWEZNQCLSA-N 1 3 345.509 0.437 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000418945246 438260763 /nfs/dbraw/zinc/26/07/63/438260763.db2.gz MNTSCUZSXRCSKM-OAHLLOKOSA-N 1 3 334.464 0.820 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418950309 438261890 /nfs/dbraw/zinc/26/18/90/438261890.db2.gz QKSGOONYMRHLCU-WBVHZDCISA-N 1 3 346.475 0.834 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H](C)CN(CC)CC)C1CC[NH2+]CC1 ZINC000418953099 438264749 /nfs/dbraw/zinc/26/47/49/438264749.db2.gz WCFHCFCXLREGTL-CQSZACIVSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N(C)Cc1ccccc1 ZINC000418963279 438266144 /nfs/dbraw/zinc/26/61/44/438266144.db2.gz LVQHQLIJQWILBD-CQSZACIVSA-N 1 3 332.448 0.621 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418986452 438272802 /nfs/dbraw/zinc/27/28/02/438272802.db2.gz GPOIRRHSSYOKGE-MRXNPFEDSA-N 1 3 334.464 0.854 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000351517893 438276557 /nfs/dbraw/zinc/27/65/57/438276557.db2.gz BPYXGDJZAYXUSU-INIZCTEOSA-N 1 3 348.447 0.111 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000419007569 438283719 /nfs/dbraw/zinc/28/37/19/438283719.db2.gz YJYPUYQLKGGNRB-IRXDYDNUSA-N 1 3 346.475 0.998 20 0 ECADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419012090 438285429 /nfs/dbraw/zinc/28/54/29/438285429.db2.gz UZHVEAKYNPOIES-UHFFFAOYSA-N 1 3 346.475 0.967 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000351559686 438288562 /nfs/dbraw/zinc/28/85/62/438288562.db2.gz VGZCCTIVJQWIBH-IAGOWNOFSA-N 1 3 344.459 0.808 20 0 ECADHO C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000351555950 438288916 /nfs/dbraw/zinc/28/89/16/438288916.db2.gz GBRFKDBTSJXSFX-GOEBONIOSA-N 1 3 332.448 0.491 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419018640 438289476 /nfs/dbraw/zinc/28/94/76/438289476.db2.gz CMIIOGXWJFJIPP-ZNMIVQPWSA-N 1 3 338.496 0.679 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419022310 438291023 /nfs/dbraw/zinc/29/10/23/438291023.db2.gz IDKDIQGOPPKLBE-QLFBSQMISA-N 1 3 326.485 0.537 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000419021889 438291084 /nfs/dbraw/zinc/29/10/84/438291084.db2.gz HJPTZBHZPKCKHL-ILXRZTDVSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419020853 438291462 /nfs/dbraw/zinc/29/14/62/438291462.db2.gz GFGRZXYWXNBMJX-BARDWOONSA-N 1 3 326.485 0.569 20 0 ECADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419024336 438293644 /nfs/dbraw/zinc/29/36/44/438293644.db2.gz KOATZWQMCHXRNY-QLFBSQMISA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419024382 438293884 /nfs/dbraw/zinc/29/38/84/438293884.db2.gz KSCMPYRVPZYTEV-LEOABGAYSA-N 1 3 338.496 0.583 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000418921455 438249465 /nfs/dbraw/zinc/24/94/65/438249465.db2.gz CUFUUFKRIBLRBN-BHYGNILZSA-N 1 3 346.475 0.786 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000419107438 438322314 /nfs/dbraw/zinc/32/23/14/438322314.db2.gz PCQVJOIYKYISBK-MRXNPFEDSA-N 1 3 346.475 0.739 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000351819741 438346347 /nfs/dbraw/zinc/34/63/47/438346347.db2.gz BGTPBTZCYLVNBQ-GJZGRUSLSA-N 1 3 335.514 0.604 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419031033 438297148 /nfs/dbraw/zinc/29/71/48/438297148.db2.gz USPWKIHGIRLGDU-UGUYLWEFSA-N 1 3 338.496 0.727 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000368183317 438299032 /nfs/dbraw/zinc/29/90/32/438299032.db2.gz HESJWHANEKNGAL-XUWVNRHRSA-N 1 3 334.464 0.140 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419078425 438313032 /nfs/dbraw/zinc/31/30/32/438313032.db2.gz LADQYDRUVDZYDU-HOCLYGCPSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171786 438390618 /nfs/dbraw/zinc/39/06/18/438390618.db2.gz UOXIDEUPDWCZBF-RBSFLKMASA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419373747 438355861 /nfs/dbraw/zinc/35/58/61/438355861.db2.gz MZMXSFSTYYSWPT-CYBMUJFWSA-N 1 3 332.448 0.007 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419648839 438364201 /nfs/dbraw/zinc/36/42/01/438364201.db2.gz BHGHIHJWWQHABE-YCPHGPKFSA-N 1 3 332.448 0.619 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419785360 438372164 /nfs/dbraw/zinc/37/21/64/438372164.db2.gz YRFFZOMQGZLZTL-KSSFIOAISA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000369089216 438421951 /nfs/dbraw/zinc/42/19/51/438421951.db2.gz YNVGCYNFXWJMDP-IRXDYDNUSA-N 1 3 338.496 0.072 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000420743670 438432250 /nfs/dbraw/zinc/43/22/50/438432250.db2.gz IFKQFVZBIANNMJ-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)OC(=O)CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000420327247 438399041 /nfs/dbraw/zinc/39/90/41/438399041.db2.gz YJEZQFRJRVPRAT-GJZGRUSLSA-N 1 3 325.453 0.908 20 0 ECADHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CN(C)CCOCC[NH3+])n1 ZINC000420367672 438402156 /nfs/dbraw/zinc/40/21/56/438402156.db2.gz HIOWLTXWDFTWOT-KBPBESRZSA-N 1 3 340.447 0.367 20 0 ECADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)NCC(F)(F)F ZINC000420340618 438402421 /nfs/dbraw/zinc/40/24/21/438402421.db2.gz MXGYSNZTLGTPDR-GHMZBOCLSA-N 1 3 336.358 0.696 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000359289697 438406117 /nfs/dbraw/zinc/40/61/17/438406117.db2.gz OCLPGRUEXYEUTJ-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000359289697 438406119 /nfs/dbraw/zinc/40/61/19/438406119.db2.gz OCLPGRUEXYEUTJ-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000369394391 438464507 /nfs/dbraw/zinc/46/45/07/438464507.db2.gz ROTFQMUSTNLXGS-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000421791405 438501765 /nfs/dbraw/zinc/50/17/65/438501765.db2.gz IHSFAURBXNOYQY-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000422083849 438514995 /nfs/dbraw/zinc/51/49/95/438514995.db2.gz JLWXQRVIYGDHAU-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422112819 438520800 /nfs/dbraw/zinc/52/08/00/438520800.db2.gz GZZZRKVTROOHBA-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422112819 438520804 /nfs/dbraw/zinc/52/08/04/438520804.db2.gz GZZZRKVTROOHBA-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422283884 438544104 /nfs/dbraw/zinc/54/41/04/438544104.db2.gz ODCSJCAELWNSLT-OAHLLOKOSA-N 1 3 326.485 0.683 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422283884 438544108 /nfs/dbraw/zinc/54/41/08/438544108.db2.gz ODCSJCAELWNSLT-OAHLLOKOSA-N 1 3 326.485 0.683 20 0 ECADHO CN(CC[NH+]1CCCC1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442593625 438611579 /nfs/dbraw/zinc/61/15/79/438611579.db2.gz JXZJPXPLSNDKPT-UHFFFAOYSA-N 1 3 325.501 0.750 20 0 ECADHO CCS(=O)(=O)N1CC(CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000423056799 438633378 /nfs/dbraw/zinc/63/33/78/438633378.db2.gz GJXIKUONQWHJKH-CJNGLKHVSA-N 1 3 325.478 0.816 20 0 ECADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443064806 438638882 /nfs/dbraw/zinc/63/88/82/438638882.db2.gz YXYRFQBJZNQKMY-CVEARBPZSA-N 1 3 346.479 0.575 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H]1C ZINC000410726714 438643292 /nfs/dbraw/zinc/64/32/92/438643292.db2.gz XFMUYFLFWBANHC-FXUDXRNXSA-N 1 3 336.480 0.480 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H]1C ZINC000410726714 438643294 /nfs/dbraw/zinc/64/32/94/438643294.db2.gz XFMUYFLFWBANHC-FXUDXRNXSA-N 1 3 336.480 0.480 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000410733735 438646343 /nfs/dbraw/zinc/64/63/43/438646343.db2.gz WDCVOBUXBSJHPD-PMPSAXMXSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423189544 438647490 /nfs/dbraw/zinc/64/74/90/438647490.db2.gz MVGHXXPZMIKAHF-INIZCTEOSA-N 1 3 338.496 0.907 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423219440 438650041 /nfs/dbraw/zinc/65/00/41/438650041.db2.gz WRUQTULXCGUUTB-INIZCTEOSA-N 1 3 336.480 0.389 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000423257203 438652466 /nfs/dbraw/zinc/65/24/66/438652466.db2.gz ICRQTVDNDGPNOB-UHFFFAOYSA-N 1 3 346.475 0.835 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423366977 438667149 /nfs/dbraw/zinc/66/71/49/438667149.db2.gz MCEBRMDVFYSFAV-CYBMUJFWSA-N 1 3 338.477 0.446 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410911211 438668002 /nfs/dbraw/zinc/66/80/02/438668002.db2.gz COPMEGJSKMZUEL-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410911211 438668005 /nfs/dbraw/zinc/66/80/05/438668005.db2.gz COPMEGJSKMZUEL-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(CNC(=O)COC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000423423606 438675993 /nfs/dbraw/zinc/67/59/93/438675993.db2.gz MBLZKVBHCTYJPU-UHFFFAOYSA-N 1 3 331.460 0.970 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423498131 438680327 /nfs/dbraw/zinc/68/03/27/438680327.db2.gz GNJWLLQXCGBOJX-CVEARBPZSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1)[NH+](C)C ZINC000413583536 438695840 /nfs/dbraw/zinc/69/58/40/438695840.db2.gz AZIWBPZRMQRSNE-HNNXBMFYSA-N 1 3 341.500 0.032 20 0 ECADHO CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414703142 438715797 /nfs/dbraw/zinc/71/57/97/438715797.db2.gz XSLXKDGZLAYGAS-JKSUJKDBSA-N 1 3 338.496 0.812 20 0 ECADHO CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414703142 438715798 /nfs/dbraw/zinc/71/57/98/438715798.db2.gz XSLXKDGZLAYGAS-JKSUJKDBSA-N 1 3 338.496 0.812 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414888841 438721391 /nfs/dbraw/zinc/72/13/91/438721391.db2.gz YFGLUIWRSFQKON-UHFFFAOYSA-N 1 3 334.420 0.564 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414888841 438721397 /nfs/dbraw/zinc/72/13/97/438721397.db2.gz YFGLUIWRSFQKON-UHFFFAOYSA-N 1 3 334.420 0.564 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC000455259267 438741403 /nfs/dbraw/zinc/74/14/03/438741403.db2.gz AIBRQVZQQDFOFQ-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC000455259267 438741405 /nfs/dbraw/zinc/74/14/05/438741405.db2.gz AIBRQVZQQDFOFQ-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[NH2+][C@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000576106625 438769102 /nfs/dbraw/zinc/76/91/02/438769102.db2.gz BTKGAUHWRZTLNO-ZDUSSCGKSA-N 1 3 329.470 0.044 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)C1 ZINC000558554880 438812752 /nfs/dbraw/zinc/81/27/52/438812752.db2.gz ZDCBNUPTDJDMTM-ZSHCYNCHSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000577221778 438825239 /nfs/dbraw/zinc/82/52/39/438825239.db2.gz ZQTCHIRXEKLKEJ-KBPBESRZSA-N 1 3 342.484 0.234 20 0 ECADHO CCOC(=O)C1(C)CC(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000601266553 438838049 /nfs/dbraw/zinc/83/80/49/438838049.db2.gz BXXXQWQFHXEDAT-CBCUQQMYSA-N 1 3 325.453 0.895 20 0 ECADHO CCOC(=O)C1(C)CC(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000601266553 438838054 /nfs/dbraw/zinc/83/80/54/438838054.db2.gz BXXXQWQFHXEDAT-CBCUQQMYSA-N 1 3 325.453 0.895 20 0 ECADHO COC[C@@]1(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC[NH2+]C1 ZINC000516180118 438895167 /nfs/dbraw/zinc/89/51/67/438895167.db2.gz ZIEVCWKIPUCSFW-SJLPKXTDSA-N 1 3 338.496 0.239 20 0 ECADHO C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCSC1 ZINC000458518734 438895468 /nfs/dbraw/zinc/89/54/68/438895468.db2.gz RIWFSECZGRSHSZ-HOCLYGCPSA-N 1 3 344.525 0.570 20 0 ECADHO COCCCNC(=O)[C@H](C)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000578196458 438905803 /nfs/dbraw/zinc/90/58/03/438905803.db2.gz IWLINZFHWVSNAD-HOTGVXAUSA-N 1 3 326.485 0.145 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(S(=O)(=O)CCC[NH+](C)C)C2)CC1 ZINC000601370847 438864514 /nfs/dbraw/zinc/86/45/14/438864514.db2.gz ZCYJEZGBXLDBHZ-MRXNPFEDSA-N 1 3 346.541 0.368 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)N[C@@H](C)C[NH+](C)C)C2)CC1 ZINC000515899520 438886892 /nfs/dbraw/zinc/88/68/92/438886892.db2.gz FMFZNHGTQOAJLJ-HOTGVXAUSA-N 1 3 325.501 0.746 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000578300569 438912359 /nfs/dbraw/zinc/91/23/59/438912359.db2.gz NIJYNLDFTOSAAQ-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CCOc1ccnc(N2CCCN(CCN3CC[NH2+]CC3)CC2)n1 ZINC000565093168 438914700 /nfs/dbraw/zinc/91/47/00/438914700.db2.gz PKDGLZBZGLTXFZ-UHFFFAOYSA-N 1 3 334.468 0.293 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000516649326 438918492 /nfs/dbraw/zinc/91/84/92/438918492.db2.gz IOACAZSOCMTXAG-HOCLYGCPSA-N 1 3 330.432 0.187 20 0 ECADHO CN1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000578488656 438926896 /nfs/dbraw/zinc/92/68/96/438926896.db2.gz DQGDPPKBVYULKM-IRXDYDNUSA-N 1 3 331.464 0.545 20 0 ECADHO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCC[C@H](N)C3)CC2)cn1 ZINC000565225307 438930680 /nfs/dbraw/zinc/93/06/80/438930680.db2.gz CJVBOOLJXXIQNZ-GXTWGEPZSA-N 1 3 341.481 0.433 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000459268661 438953236 /nfs/dbraw/zinc/95/32/36/438953236.db2.gz SKMIAMJYPGUJLT-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000459268661 438953241 /nfs/dbraw/zinc/95/32/41/438953241.db2.gz SKMIAMJYPGUJLT-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)N[C@@H](C)C2=O)[C@@H](C)C1 ZINC000459412736 438967488 /nfs/dbraw/zinc/96/74/88/438967488.db2.gz RPHHANNCBZTRGV-KKUMJFAQSA-N 1 3 340.468 0.653 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)N[C@@H](C)C2=O)[C@@H](C)C1 ZINC000459412736 438967490 /nfs/dbraw/zinc/96/74/90/438967490.db2.gz RPHHANNCBZTRGV-KKUMJFAQSA-N 1 3 340.468 0.653 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000565999403 438995359 /nfs/dbraw/zinc/99/53/59/438995359.db2.gz QZFNHLKRYXWFSW-KRWDZBQOSA-N 1 3 331.464 0.465 20 0 ECADHO C[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C(=O)NCCN(C)C ZINC000566463050 439058231 /nfs/dbraw/zinc/05/82/31/439058231.db2.gz SPHUDHSNNPNXKY-ZBFHGGJFSA-N 1 3 334.464 0.862 20 0 ECADHO CC1CCN(CCCNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC000602468345 439093774 /nfs/dbraw/zinc/09/37/74/439093774.db2.gz PRNGYDRLVWCLII-JOCHJYFZSA-N 1 3 329.510 0.725 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000580634399 439112942 /nfs/dbraw/zinc/11/29/42/439112942.db2.gz MYDLBYBFWJODPT-QLFBSQMISA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000479254823 439114705 /nfs/dbraw/zinc/11/47/05/439114705.db2.gz NTZGVXKOQPINDR-YALNPMBYSA-N 1 3 339.480 0.447 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580291259 439078003 /nfs/dbraw/zinc/07/80/03/439078003.db2.gz DAVXIHRCFGIIIS-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000580291259 439078007 /nfs/dbraw/zinc/07/80/07/439078007.db2.gz DAVXIHRCFGIIIS-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000580302490 439078840 /nfs/dbraw/zinc/07/88/40/439078840.db2.gz VYHQKKVXQUUIMG-CABCVRRESA-N 1 3 336.480 0.386 20 0 ECADHO CC(CNC(=O)CN1CC[C@@H](C)C1)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000567290164 439131367 /nfs/dbraw/zinc/13/13/67/439131367.db2.gz XSINKVOQTFHWJA-HUUCEWRRSA-N 1 3 338.496 0.539 20 0 ECADHO CC(CNC(=O)CN1CC[C@@H](C)C1)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000567290164 439131369 /nfs/dbraw/zinc/13/13/69/439131369.db2.gz XSINKVOQTFHWJA-HUUCEWRRSA-N 1 3 338.496 0.539 20 0 ECADHO COC(=O)CN(C)C(=O)CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000602845408 439142283 /nfs/dbraw/zinc/14/22/83/439142283.db2.gz KEDSZGCFDFYMBW-UHFFFAOYSA-N 1 3 334.420 0.615 20 0 ECADHO COC(=O)CN(C)C(=O)CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000602845408 439142285 /nfs/dbraw/zinc/14/22/85/439142285.db2.gz KEDSZGCFDFYMBW-UHFFFAOYSA-N 1 3 334.420 0.615 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000567644369 439161134 /nfs/dbraw/zinc/16/11/34/439161134.db2.gz VSTVVPSAYBLINL-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000524785961 439195054 /nfs/dbraw/zinc/19/50/54/439195054.db2.gz GECJZLDXFBSUCJ-LSDHHAIUSA-N 1 3 339.484 0.215 20 0 ECADHO CN1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000524785961 439195058 /nfs/dbraw/zinc/19/50/58/439195058.db2.gz GECJZLDXFBSUCJ-LSDHHAIUSA-N 1 3 339.484 0.215 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000581384011 439207248 /nfs/dbraw/zinc/20/72/48/439207248.db2.gz FZKGWRRHGRTECG-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000568749710 439274931 /nfs/dbraw/zinc/27/49/31/439274931.db2.gz LRWQFQCUVYOMPL-MISYRCLQSA-N 1 3 347.503 0.914 20 0 ECADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000582011337 439278799 /nfs/dbraw/zinc/27/87/99/439278799.db2.gz YFXATXKBPRUHTN-SZMVWBNQSA-N 1 3 325.497 0.874 20 0 ECADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000582011337 439278803 /nfs/dbraw/zinc/27/88/03/439278803.db2.gz YFXATXKBPRUHTN-SZMVWBNQSA-N 1 3 325.497 0.874 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](COC)OC)CC2)CC1 ZINC000581557403 439229645 /nfs/dbraw/zinc/22/96/45/439229645.db2.gz KDONQYIMBGNMOC-KRWDZBQOSA-N 1 3 341.496 0.960 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568730877 439272368 /nfs/dbraw/zinc/27/23/68/439272368.db2.gz QYNHSZKIQVEXLS-IJEWVQPXSA-N 1 3 336.480 0.866 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000592964442 439323805 /nfs/dbraw/zinc/32/38/05/439323805.db2.gz GPMYGJBYEMPORJ-HUUCEWRRSA-N 1 3 344.450 0.858 20 0 ECADHO Cc1ccc(NC(=O)[C@H]2CCCN(CCN3CC[NH2+]CC3)C2)nc1 ZINC000569367517 439328329 /nfs/dbraw/zinc/32/83/29/439328329.db2.gz FJUMYSJMXMBVNJ-INIZCTEOSA-N 1 3 331.464 0.946 20 0 ECADHO CC[NH+](CC)CCSCC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592872308 439293095 /nfs/dbraw/zinc/29/30/95/439293095.db2.gz LQTJXMGRBLAXSM-CQSZACIVSA-N 1 3 344.525 0.640 20 0 ECADHO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCN1CCCC1 ZINC000605240814 439364092 /nfs/dbraw/zinc/36/40/92/439364092.db2.gz NANXORSXAUHPLB-UHFFFAOYSA-N 1 3 348.447 0.907 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCNC(=O)[C@H]3C)CC2)CC1 ZINC000569621460 439350368 /nfs/dbraw/zinc/35/03/68/439350368.db2.gz NCRGCXRWNUIBCM-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)COC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000570155677 439395420 /nfs/dbraw/zinc/39/54/20/439395420.db2.gz OVGDAXIZSUGMAD-KRWDZBQOSA-N 1 3 343.512 0.406 20 0 ECADHO CN(C)C1(C[NH2+]C[C@H](O)CN2CCN(C)CC2)Cc2ccccc2C1 ZINC000570508817 439425088 /nfs/dbraw/zinc/42/50/88/439425088.db2.gz MFCLXIGAPARMSI-IBGZPJMESA-N 1 3 346.519 0.284 20 0 ECADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583452456 439467420 /nfs/dbraw/zinc/46/74/20/439467420.db2.gz JUPOMHAVZCRUCU-ZNMIVQPWSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000571269178 439489955 /nfs/dbraw/zinc/48/99/55/439489955.db2.gz DSZVDCNUBCAJAV-IIDMSEBBSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCN1CC[NH2+]CC1 ZINC000571521976 439509918 /nfs/dbraw/zinc/50/99/18/439509918.db2.gz MZUPBIYYBYMOCY-CYBMUJFWSA-N 1 3 326.466 0.232 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000584519918 439596688 /nfs/dbraw/zinc/59/66/88/439596688.db2.gz SORQBVSIPINXCC-UHFFFAOYSA-N 1 3 326.485 0.871 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000572824798 439609963 /nfs/dbraw/zinc/60/99/63/439609963.db2.gz XNMBLLJILCQFMJ-IXDOHACOSA-N 1 3 337.512 0.938 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572850899 439613764 /nfs/dbraw/zinc/61/37/64/439613764.db2.gz VFXWVODQMVGYEO-AWEZNQCLSA-N 1 3 335.452 0.782 20 0 ECADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCCN(C)C3)C2)CC1 ZINC000610733008 439642624 /nfs/dbraw/zinc/64/26/24/439642624.db2.gz BJRIECXGWGYVKD-IAGOWNOFSA-N 1 3 337.512 0.891 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC000585694004 439643369 /nfs/dbraw/zinc/64/33/69/439643369.db2.gz GLRSGPIIPIWOGR-AWEZNQCLSA-N 1 3 335.452 0.602 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC000585694004 439643374 /nfs/dbraw/zinc/64/33/74/439643374.db2.gz GLRSGPIIPIWOGR-AWEZNQCLSA-N 1 3 335.452 0.602 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000573699588 439661202 /nfs/dbraw/zinc/66/12/02/439661202.db2.gz VWEHGTYOBAHCKV-HOTGVXAUSA-N 1 3 339.528 0.947 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000573831142 439670948 /nfs/dbraw/zinc/67/09/48/439670948.db2.gz SURLSLIJGKYHIG-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000573942718 439675131 /nfs/dbraw/zinc/67/51/31/439675131.db2.gz MTVACQOKXKSUCI-DZGCQCFKSA-N 1 3 330.432 0.244 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000573942718 439675133 /nfs/dbraw/zinc/67/51/33/439675133.db2.gz MTVACQOKXKSUCI-DZGCQCFKSA-N 1 3 330.432 0.244 20 0 ECADHO COC(=O)CCN1CC[C@@H](N2CCC(CC[NH+](C)C)CC2)C1=O ZINC000595295630 439692902 /nfs/dbraw/zinc/69/29/02/439692902.db2.gz NKJAKYLHSKOJJB-OAHLLOKOSA-N 1 3 325.453 0.814 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612978853 439748104 /nfs/dbraw/zinc/74/81/04/439748104.db2.gz YHMBTDZTBGHXDY-LSDHHAIUSA-N 1 3 349.479 0.077 20 0 ECADHO CCN(C(=O)C(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CCN(CC)C1 ZINC000611991684 439741867 /nfs/dbraw/zinc/74/18/67/439741867.db2.gz RLRDLBRXWAPZBO-UYSNPLJNSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@]1(NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC[NH2+]C1 ZINC000612898687 439744883 /nfs/dbraw/zinc/74/48/83/439744883.db2.gz GQXSBSATCDELQW-AEFFLSMTSA-N 1 3 332.448 0.804 20 0 ECADHO [NH3+]CCCCn1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)nn1 ZINC000662686440 439845281 /nfs/dbraw/zinc/84/52/81/439845281.db2.gz NGDIYHBEYXLKMZ-MRXNPFEDSA-N 1 3 344.419 0.930 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662692291 439848580 /nfs/dbraw/zinc/84/85/80/439848580.db2.gz CSVFGJBEQAGTHV-GJZGRUSLSA-N 1 3 334.468 0.880 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662709502 439854650 /nfs/dbraw/zinc/85/46/50/439854650.db2.gz SEOIWPPIPGPAEE-IAGOWNOFSA-N 1 3 347.463 0.791 20 0 ECADHO c1n[nH]cc1CC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000641825559 439923317 /nfs/dbraw/zinc/92/33/17/439923317.db2.gz ZJJIQOUQHVWHFC-HNNXBMFYSA-N 1 3 329.452 0.965 20 0 ECADHO c1n[nH]cc1CC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000641825559 439923322 /nfs/dbraw/zinc/92/33/22/439923322.db2.gz ZJJIQOUQHVWHFC-HNNXBMFYSA-N 1 3 329.452 0.965 20 0 ECADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCCN1CC[C@@H](O)C1 ZINC000636555692 439929066 /nfs/dbraw/zinc/92/90/66/439929066.db2.gz BMSROYMYHBCCFI-GOSISDBHSA-N 1 3 346.475 0.801 20 0 ECADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)NCCN1CC[C@@H](O)C1 ZINC000636555692 439929073 /nfs/dbraw/zinc/92/90/73/439929073.db2.gz BMSROYMYHBCCFI-GOSISDBHSA-N 1 3 346.475 0.801 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000652701081 439930545 /nfs/dbraw/zinc/93/05/45/439930545.db2.gz YZZHVLKRGSJIAF-HNNXBMFYSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000652701081 439930553 /nfs/dbraw/zinc/93/05/53/439930553.db2.gz YZZHVLKRGSJIAF-HNNXBMFYSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000652522589 439883347 /nfs/dbraw/zinc/88/33/47/439883347.db2.gz NOTHJSCEXDHIDD-HNNXBMFYSA-N 1 3 326.485 0.491 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000652522589 439883352 /nfs/dbraw/zinc/88/33/52/439883352.db2.gz NOTHJSCEXDHIDD-HNNXBMFYSA-N 1 3 326.485 0.491 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626804497 439886824 /nfs/dbraw/zinc/88/68/24/439886824.db2.gz RXHYHCFYGOPTCB-UHFFFAOYSA-N 1 3 334.420 0.565 20 0 ECADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000636458823 439889655 /nfs/dbraw/zinc/88/96/55/439889655.db2.gz QNRYPKNIXOVFOE-INIZCTEOSA-N 1 3 336.480 0.720 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652635366 439897714 /nfs/dbraw/zinc/89/77/14/439897714.db2.gz TWIXOBHDQLGMNQ-UHFFFAOYSA-N 1 3 348.447 0.941 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000617507036 439901998 /nfs/dbraw/zinc/90/19/98/439901998.db2.gz FXPRHWATRWIFEY-ZNMIVQPWSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000617507036 439902002 /nfs/dbraw/zinc/90/20/02/439902002.db2.gz FXPRHWATRWIFEY-ZNMIVQPWSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnn(C)c1-n1cnnc1 ZINC000617507231 439902267 /nfs/dbraw/zinc/90/22/67/439902267.db2.gz NEWTUMGFVGSXAB-ZDUSSCGKSA-N 1 3 348.455 0.003 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnn(C)c1-n1cnnc1 ZINC000617507231 439902272 /nfs/dbraw/zinc/90/22/72/439902272.db2.gz NEWTUMGFVGSXAB-ZDUSSCGKSA-N 1 3 348.455 0.003 20 0 ECADHO Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn2c1OCCC2 ZINC000617508044 439903924 /nfs/dbraw/zinc/90/39/24/439903924.db2.gz SQAHHSQTVAMAFS-ZDUSSCGKSA-N 1 3 337.468 0.976 20 0 ECADHO Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn2c1OCCC2 ZINC000617508044 439903933 /nfs/dbraw/zinc/90/39/33/439903933.db2.gz SQAHHSQTVAMAFS-ZDUSSCGKSA-N 1 3 337.468 0.976 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662858027 439914902 /nfs/dbraw/zinc/91/49/02/439914902.db2.gz DNLSICHGJJJTIV-MSOLQXFVSA-N 1 3 347.459 0.638 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662858027 439914906 /nfs/dbraw/zinc/91/49/06/439914906.db2.gz DNLSICHGJJJTIV-MSOLQXFVSA-N 1 3 347.459 0.638 20 0 ECADHO C[NH+](C)CC[C@H](N)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857962 439914975 /nfs/dbraw/zinc/91/49/75/439914975.db2.gz DCWLCQZQIOBEMO-SJORKVTESA-N 1 3 334.464 0.148 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CCSC1 ZINC000652685636 439920785 /nfs/dbraw/zinc/92/07/85/439920785.db2.gz PVEHLWHQLUWUMX-MRXNPFEDSA-N 1 3 342.509 0.046 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000642329763 439971620 /nfs/dbraw/zinc/97/16/20/439971620.db2.gz IKDUMDRXQSYVPJ-KLHDSHLOSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642330489 439972488 /nfs/dbraw/zinc/97/24/88/439972488.db2.gz MQUGFKIOVYRRLX-QKPAOTATSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[NH2+]1 ZINC000626964751 439973479 /nfs/dbraw/zinc/97/34/79/439973479.db2.gz XAXYXLHOAHZXOH-ILXRZTDVSA-N 1 3 339.484 0.369 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000662986153 439983009 /nfs/dbraw/zinc/98/30/09/439983009.db2.gz KCVVSZXEBUGNJL-PMPSAXMXSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000642048653 439943823 /nfs/dbraw/zinc/94/38/23/439943823.db2.gz ATQBMEPCLKCZCS-RDTXWAMCSA-N 1 3 332.448 0.621 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000662944843 439960492 /nfs/dbraw/zinc/96/04/92/439960492.db2.gz VBQXSLQJADIYPF-IJSAUFJJSA-N 1 3 346.475 0.411 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000662944843 439960501 /nfs/dbraw/zinc/96/05/01/439960501.db2.gz VBQXSLQJADIYPF-IJSAUFJJSA-N 1 3 346.475 0.411 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000662944846 439961335 /nfs/dbraw/zinc/96/13/35/439961335.db2.gz VBQXSLQJADIYPF-XLMXBGDPSA-N 1 3 346.475 0.411 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000662944846 439961343 /nfs/dbraw/zinc/96/13/43/439961343.db2.gz VBQXSLQJADIYPF-XLMXBGDPSA-N 1 3 346.475 0.411 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000642262652 439964244 /nfs/dbraw/zinc/96/42/44/439964244.db2.gz ZBWDHEDKRGOZDR-DOTOQJQBSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000642262606 439964317 /nfs/dbraw/zinc/96/43/17/439964317.db2.gz KJWXIZOJXQNLMM-WBVHZDCISA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017354 439991870 /nfs/dbraw/zinc/99/18/70/439991870.db2.gz JKOJEGVDDZYQJH-ZNMIVQPWSA-N 1 3 346.479 0.523 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000631927751 439992214 /nfs/dbraw/zinc/99/22/14/439992214.db2.gz IAWRUBZKVMJUJA-UKRRQHHQSA-N 1 3 330.498 0.331 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000631944535 440002944 /nfs/dbraw/zinc/00/29/44/440002944.db2.gz AARSRGGRGKTJHF-CABCVRRESA-N 1 3 333.498 0.486 20 0 ECADHO C[NH2+]CCOCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000627173087 440029865 /nfs/dbraw/zinc/02/98/65/440029865.db2.gz MXDNFZBCBQHLLS-AWEZNQCLSA-N 1 3 328.457 0.117 20 0 ECADHO C[C@@H](CNC(=O)NCCN1CC[C@H](O)C1)[N@@H+](C)Cc1ccccc1 ZINC000636768621 440033200 /nfs/dbraw/zinc/03/32/00/440033200.db2.gz YHRFHOLHADIPAY-RDJZCZTQSA-N 1 3 334.464 0.873 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000627239206 440061756 /nfs/dbraw/zinc/06/17/56/440061756.db2.gz CIEVFOROCREFET-YXJHDRRASA-N 1 3 332.448 0.673 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000642966958 440070368 /nfs/dbraw/zinc/07/03/68/440070368.db2.gz FHPBOKXFCYQQBK-OAHLLOKOSA-N 1 3 332.448 0.573 20 0 ECADHO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000642981369 440076213 /nfs/dbraw/zinc/07/62/13/440076213.db2.gz ZMBKOSQKZWYUDN-JKSUJKDBSA-N 1 3 336.480 0.722 20 0 ECADHO [NH3+]CCCn1ccc2cc(C(=O)N3CCOC4(CNC4)C3)ccc21 ZINC000663492283 440087449 /nfs/dbraw/zinc/08/74/49/440087449.db2.gz RQKWRFWKODFONI-UHFFFAOYSA-N 1 3 328.416 0.805 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C(=O)NCCN(C)C ZINC000627201483 440042891 /nfs/dbraw/zinc/04/28/91/440042891.db2.gz IGRGGNUEKMTFQF-KFWWJZLASA-N 1 3 341.500 0.519 20 0 ECADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642796477 440045196 /nfs/dbraw/zinc/04/51/96/440045196.db2.gz BIBRTZXHPYTTRV-UONOGXRCSA-N 1 3 332.448 0.792 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000642893325 440050337 /nfs/dbraw/zinc/05/03/37/440050337.db2.gz CLUYJOBYTFLSSP-SJORKVTESA-N 1 3 344.459 0.588 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)[NH3+])c1 ZINC000642907598 440057905 /nfs/dbraw/zinc/05/79/05/440057905.db2.gz CFSVGYCBPJHWHW-CYBMUJFWSA-N 1 3 336.436 0.049 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(=O)NCC[NH+](C)C ZINC000647717218 440126937 /nfs/dbraw/zinc/12/69/37/440126937.db2.gz CXFXKRZJFYARPU-ZBFHGGJFSA-N 1 3 338.496 0.966 20 0 ECADHO CCN(C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000658820936 440135583 /nfs/dbraw/zinc/13/55/83/440135583.db2.gz HJJKFQCBDAMUPV-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000627291927 440098926 /nfs/dbraw/zinc/09/89/26/440098926.db2.gz IGPGDFXUTXBVKK-NUEKZKHPSA-N 1 3 332.448 0.142 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000627292140 440101479 /nfs/dbraw/zinc/10/14/79/440101479.db2.gz MHWNHUMPGGRNCE-MRXNPFEDSA-N 1 3 334.464 0.993 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627295849 440102511 /nfs/dbraw/zinc/10/25/11/440102511.db2.gz PPLXTZTXWWMHEM-SOUVJXGZSA-N 1 3 338.496 0.870 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000653432737 440172006 /nfs/dbraw/zinc/17/20/06/440172006.db2.gz RUOCGECIEOYYIB-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000653432737 440172013 /nfs/dbraw/zinc/17/20/13/440172013.db2.gz RUOCGECIEOYYIB-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663788333 440174238 /nfs/dbraw/zinc/17/42/38/440174238.db2.gz PNYVOLPCMJRJKW-ILXRZTDVSA-N 1 3 326.485 0.813 20 0 ECADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663788333 440174246 /nfs/dbraw/zinc/17/42/46/440174246.db2.gz PNYVOLPCMJRJKW-ILXRZTDVSA-N 1 3 326.485 0.813 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC[C@H]1[NH3+] ZINC000643492862 440185557 /nfs/dbraw/zinc/18/55/57/440185557.db2.gz SIYVWOLQQJRERO-BZUAXINKSA-N 1 3 336.480 0.659 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C[C@@H]21 ZINC000643504169 440189162 /nfs/dbraw/zinc/18/91/62/440189162.db2.gz NTNPBFVHINYIOS-FXUDXRNXSA-N 1 3 334.464 0.269 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643513906 440193063 /nfs/dbraw/zinc/19/30/63/440193063.db2.gz LMEYRRSFEPETMR-QAPCUYQASA-N 1 3 336.480 0.531 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000643513411 440193228 /nfs/dbraw/zinc/19/32/28/440193228.db2.gz QDJXPXAGXXAQBQ-HOTGVXAUSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000643516674 440194380 /nfs/dbraw/zinc/19/43/80/440194380.db2.gz IVXMZOISKGTUPJ-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000653384570 440146041 /nfs/dbraw/zinc/14/60/41/440146041.db2.gz XCCUCSPFDJLTCL-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000637052211 440148689 /nfs/dbraw/zinc/14/86/89/440148689.db2.gz VYIMXIMSHUQGLA-SZMVWBNQSA-N 1 3 346.475 0.873 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000637052211 440148691 /nfs/dbraw/zinc/14/86/91/440148691.db2.gz VYIMXIMSHUQGLA-SZMVWBNQSA-N 1 3 346.475 0.873 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627372168 440159025 /nfs/dbraw/zinc/15/90/25/440159025.db2.gz FBVCEAJNSDPPLM-OLMNPRSZSA-N 1 3 336.480 0.435 20 0 ECADHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000659023487 440208735 /nfs/dbraw/zinc/20/87/35/440208735.db2.gz ZCKBOTAXGDHNPV-UHFFFAOYSA-N 1 3 335.452 0.890 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627444615 440209007 /nfs/dbraw/zinc/20/90/07/440209007.db2.gz PYEROUODBPJWPE-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)([NH+](C)C)C1 ZINC000647994631 440209478 /nfs/dbraw/zinc/20/94/78/440209478.db2.gz XIVYQRPMIAJZDM-AESZEHBQSA-N 1 3 326.485 0.813 20 0 ECADHO C[C@H]1CCC[C@@](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)([NH+](C)C)C1 ZINC000647994633 440209564 /nfs/dbraw/zinc/20/95/64/440209564.db2.gz XIVYQRPMIAJZDM-QBYUYEEZSA-N 1 3 326.485 0.813 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CCC1 ZINC000643552746 440211935 /nfs/dbraw/zinc/21/19/35/440211935.db2.gz AVYJRKCEEBLYBU-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO CCCN(C(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@H]1CC[NH2+]C1 ZINC000643591191 440215714 /nfs/dbraw/zinc/21/57/14/440215714.db2.gz IBSNAWJEXGIYQZ-INIZCTEOSA-N 1 3 345.447 0.331 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000643594604 440219495 /nfs/dbraw/zinc/21/94/95/440219495.db2.gz XAPLTSOWSMBXIO-XHSDSOJGSA-N 1 3 336.480 0.387 20 0 ECADHO [NH3+]CC[C@@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(F)(F)F ZINC000659023696 440208093 /nfs/dbraw/zinc/20/80/93/440208093.db2.gz LZQAAADNLJMXRL-VXGBXAGGSA-N 1 3 338.374 0.819 20 0 ECADHO C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000664184392 440251845 /nfs/dbraw/zinc/25/18/45/440251845.db2.gz WGBFFYVUMYTNFM-CQSZACIVSA-N 1 3 341.500 0.378 20 0 ECADHO C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1=CCN(C)CC1 ZINC000664630536 440345775 /nfs/dbraw/zinc/34/57/75/440345775.db2.gz SLICLXFPFJQYMR-YOEHRIQHSA-N 1 3 336.480 0.877 20 0 ECADHO C[C@H](NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1=CCN(C)CC1 ZINC000664630536 440345779 /nfs/dbraw/zinc/34/57/79/440345779.db2.gz SLICLXFPFJQYMR-YOEHRIQHSA-N 1 3 336.480 0.877 20 0 ECADHO C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000659510017 440349785 /nfs/dbraw/zinc/34/97/85/440349785.db2.gz JHJIJFUKOOIIIP-KBPBESRZSA-N 1 3 327.473 0.036 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000659519021 440353515 /nfs/dbraw/zinc/35/35/15/440353515.db2.gz CDODJTPOPPFGBD-HNNXBMFYSA-N 1 3 335.452 0.348 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NC[C@H]1CCC[NH2+]1 ZINC000659515524 440353756 /nfs/dbraw/zinc/35/37/56/440353756.db2.gz KGWYIQHUMRQINI-SJORKVTESA-N 1 3 332.448 0.804 20 0 ECADHO [NH3+]C1(CNC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CCC1 ZINC000659530800 440357502 /nfs/dbraw/zinc/35/75/02/440357502.db2.gz UKCBFPXVMQXLIW-INIZCTEOSA-N 1 3 332.448 0.934 20 0 ECADHO CC(C)C[C@H](NC(=O)NCC1([NH3+])CCCC1)C(=O)NCCN(C)C ZINC000659572417 440367185 /nfs/dbraw/zinc/36/71/85/440367185.db2.gz HFLLFWUHYAVFFP-AWEZNQCLSA-N 1 3 341.500 0.650 20 0 ECADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CCOC2(CNC2)C1 ZINC000659581467 440369550 /nfs/dbraw/zinc/36/95/50/440369550.db2.gz MUUBIEQDWFFWJY-HOTGVXAUSA-N 1 3 348.422 0.655 20 0 ECADHO CN1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H]1c1ccccc1 ZINC000664541717 440330681 /nfs/dbraw/zinc/33/06/81/440330681.db2.gz SBWJZVKIUWFGNU-QZWWFDLISA-N 1 3 332.448 0.748 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659681609 440417851 /nfs/dbraw/zinc/41/78/51/440417851.db2.gz XQTNPRBDMJFFQC-MCIONIFRSA-N 1 3 326.485 0.665 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](CN)C1 ZINC000659672501 440408110 /nfs/dbraw/zinc/40/81/10/440408110.db2.gz WWCUXSNMRCVPSA-CABCVRRESA-N 1 3 338.496 0.810 20 0 ECADHO O=C(CN1CC[NH2+]CC1)NCC1CCN(Cc2cccs2)CC1 ZINC000638085157 440428763 /nfs/dbraw/zinc/42/87/63/440428763.db2.gz OEESNZZEKHFUEC-UHFFFAOYSA-N 1 3 336.505 0.982 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638050192 440411543 /nfs/dbraw/zinc/41/15/43/440411543.db2.gz SRDYHGLPLDMQGU-GHMZBOCLSA-N 1 3 342.394 0.964 20 0 ECADHO [NH3+]CCOCC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000649332333 440468827 /nfs/dbraw/zinc/46/88/27/440468827.db2.gz UAUFUMYXBGRDCK-UHFFFAOYSA-N 1 3 334.420 0.426 20 0 ECADHO CN(C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000659737402 440473236 /nfs/dbraw/zinc/47/32/36/440473236.db2.gz UFCFCVKIBYEPDG-CQSZACIVSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)[C@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCN1 ZINC000638196608 440476814 /nfs/dbraw/zinc/47/68/14/440476814.db2.gz GLAYKCBPEHZNCH-GHMZBOCLSA-N 1 3 342.394 0.820 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000659705252 440439514 /nfs/dbraw/zinc/43/95/14/440439514.db2.gz VEUHWEGRNRGJRU-ZDUSSCGKSA-N 1 3 333.436 0.138 20 0 ECADHO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659709647 440444751 /nfs/dbraw/zinc/44/47/51/440444751.db2.gz GYDHTIRMHPMQDN-OAHLLOKOSA-N 1 3 336.480 0.768 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000638112661 440445400 /nfs/dbraw/zinc/44/54/00/440445400.db2.gz JQZSEDYUOXRIMN-CVEARBPZSA-N 1 3 346.431 0.567 20 0 ECADHO CC(C)CC[C@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000638113816 440445456 /nfs/dbraw/zinc/44/54/56/440445456.db2.gz VQVPPEMBNGWXPG-HNNXBMFYSA-N 1 3 326.485 0.809 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NC3COCCOC3)CC2)CC1 ZINC000644133590 440450860 /nfs/dbraw/zinc/45/08/60/440450860.db2.gz NWFMNRQDVWNPNR-UHFFFAOYSA-N 1 3 340.468 0.260 20 0 ECADHO CC1(C)CN[C@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000644161493 440455942 /nfs/dbraw/zinc/45/59/42/440455942.db2.gz KRVWATMZSKSCOS-INIZCTEOSA-N 1 3 332.448 0.907 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@H](c2ccccc2)C1 ZINC000638138202 440458206 /nfs/dbraw/zinc/45/82/06/440458206.db2.gz XQXPXOSUVZUHOI-OKZBNKHCSA-N 1 3 346.475 0.598 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659721641 440458971 /nfs/dbraw/zinc/45/89/71/440458971.db2.gz KAWUGPNYRXRKRQ-YCPHGPKFSA-N 1 3 336.480 0.624 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3OCC[C@@H]3N)nc2)CC1 ZINC000638138670 440459485 /nfs/dbraw/zinc/45/94/85/440459485.db2.gz FKQCAWKDTMYENO-GOEBONIOSA-N 1 3 333.436 0.667 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638137837 440459951 /nfs/dbraw/zinc/45/99/51/440459951.db2.gz PAUPRYJIRWQZJR-NVXWUHKLSA-N 1 3 326.485 0.132 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC[NH2+]1 ZINC000659723936 440460995 /nfs/dbraw/zinc/46/09/95/440460995.db2.gz UPLVMIIQAZQDAE-RBSFLKMASA-N 1 3 336.480 0.766 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(CO)CO)CC2)CC1 ZINC000655110040 440485343 /nfs/dbraw/zinc/48/53/43/440485343.db2.gz FCVJVUBSLPKVTD-UHFFFAOYSA-N 1 3 341.496 0.290 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000659750825 440488082 /nfs/dbraw/zinc/48/80/82/440488082.db2.gz HQJNDGXDHUVELZ-OAHLLOKOSA-N 1 3 346.475 0.834 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249896 440490477 /nfs/dbraw/zinc/49/04/77/440490477.db2.gz ZEJDKJMTBDTSST-FGTMMUONSA-N 1 3 330.476 0.904 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000659756571 440491814 /nfs/dbraw/zinc/49/18/14/440491814.db2.gz RXCXEMPTMAGXIO-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000659758194 440493103 /nfs/dbraw/zinc/49/31/03/440493103.db2.gz YVCCXOPNHNUGLL-WBVHZDCISA-N 1 3 346.475 0.486 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000638276741 440493955 /nfs/dbraw/zinc/49/39/55/440493955.db2.gz PDKTWMRVKBDFHE-WMZOPIPTSA-N 1 3 338.496 0.239 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cn1 ZINC000633410724 440495754 /nfs/dbraw/zinc/49/57/54/440495754.db2.gz RXACBWGZWOSOLC-UHFFFAOYSA-N 1 3 349.479 0.772 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)cn1 ZINC000633410724 440495760 /nfs/dbraw/zinc/49/57/60/440495760.db2.gz RXACBWGZWOSOLC-UHFFFAOYSA-N 1 3 349.479 0.772 20 0 ECADHO C[C@]1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CNCCO1 ZINC000638342050 440517495 /nfs/dbraw/zinc/51/74/95/440517495.db2.gz AEAOFFVDLCEOEQ-GOSISDBHSA-N 1 3 346.475 0.475 20 0 ECADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638364016 440521099 /nfs/dbraw/zinc/52/10/99/440521099.db2.gz VQHHVPVPWUVJDI-AWEZNQCLSA-N 1 3 340.493 0.450 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638375112 440523175 /nfs/dbraw/zinc/52/31/75/440523175.db2.gz DQFLPBSBWMHSQL-HNNXBMFYSA-N 1 3 327.469 0.762 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCN2C)CC1=O ZINC000628647815 440526179 /nfs/dbraw/zinc/52/61/79/440526179.db2.gz AVGYVIHBTDVHAN-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCN2C)CC1=O ZINC000628647815 440526184 /nfs/dbraw/zinc/52/61/84/440526184.db2.gz AVGYVIHBTDVHAN-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+](C)CCNC(=O)c1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000638526214 440560707 /nfs/dbraw/zinc/56/07/07/440560707.db2.gz HKBDJSOBVFOTLD-INIZCTEOSA-N 1 3 348.447 0.685 20 0 ECADHO C[NH+](C)CCNC(=O)c1ccc(NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000638526215 440562789 /nfs/dbraw/zinc/56/27/89/440562789.db2.gz HKBDJSOBVFOTLD-MRXNPFEDSA-N 1 3 348.447 0.685 20 0 ECADHO CC(=O)c1nc(CCN2CCC(C(=O)NCC[NH+](C)C)CC2)[nH]c1C ZINC000660054979 440584421 /nfs/dbraw/zinc/58/44/21/440584421.db2.gz AMOAAELFGGQDDQ-UHFFFAOYSA-N 1 3 349.479 0.853 20 0 ECADHO CO[C@]1(C[NH2+]CCCN2CCN(c3ccncc3)CC2)CCOC1 ZINC000638464231 440543230 /nfs/dbraw/zinc/54/32/30/440543230.db2.gz ZBTUZDSQVARFRS-SFHVURJKSA-N 1 3 334.464 0.989 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1=O ZINC000665855543 440544197 /nfs/dbraw/zinc/54/41/97/440544197.db2.gz VFQVHVYWHHKVKQ-ZDUSSCGKSA-N 1 3 338.496 0.822 20 0 ECADHO CN1CCC(n2cc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000638978106 440657076 /nfs/dbraw/zinc/65/70/76/440657076.db2.gz UWONIPTYRLELBO-HNNXBMFYSA-N 1 3 348.451 0.347 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000638983137 440657216 /nfs/dbraw/zinc/65/72/16/440657216.db2.gz AGKJQPICNWXPFM-HNNXBMFYSA-N 1 3 329.485 0.866 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000639004460 440663730 /nfs/dbraw/zinc/66/37/30/440663730.db2.gz IQGSBOTZUANWML-IAGOWNOFSA-N 1 3 344.459 0.554 20 0 ECADHO CO[C@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)[C@@H]1CCOC1 ZINC000639170378 440690267 /nfs/dbraw/zinc/69/02/67/440690267.db2.gz BDXZUJMNQCSCLR-QZTJIDSGSA-N 1 3 325.497 0.997 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CCC[NH2+]C1 ZINC000656020669 440692215 /nfs/dbraw/zinc/69/22/15/440692215.db2.gz VDEQTVOYVZPUPT-CAOSSQGBSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000634709817 440696219 /nfs/dbraw/zinc/69/62/19/440696219.db2.gz ONAXVXDHQDAFEE-QXAKKESOSA-N 1 3 333.476 0.932 20 0 ECADHO C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000634709817 440696223 /nfs/dbraw/zinc/69/62/23/440696223.db2.gz ONAXVXDHQDAFEE-QXAKKESOSA-N 1 3 333.476 0.932 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656025628 440696816 /nfs/dbraw/zinc/69/68/16/440696816.db2.gz OSCSHSKDFHAWMB-JKSUJKDBSA-N 1 3 334.464 0.546 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656028244 440697906 /nfs/dbraw/zinc/69/79/06/440697906.db2.gz JKAZEYSMPGCGRK-BZUAXINKSA-N 1 3 338.496 0.951 20 0 ECADHO CC[NH+]1CCC(N2CCCN(Cc3cnc(N)nc3N)CC2)CC1 ZINC000639275246 440698136 /nfs/dbraw/zinc/69/81/36/440698136.db2.gz HDHHBBFTFBKGLX-UHFFFAOYSA-N 1 3 333.484 0.294 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000656027060 440698222 /nfs/dbraw/zinc/69/82/22/440698222.db2.gz ARAHAYFIOLNFJZ-LSDHHAIUSA-N 1 3 334.464 0.474 20 0 ECADHO OC[C@@H](CN1CCCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634722521 440698343 /nfs/dbraw/zinc/69/83/43/440698343.db2.gz QJEYBXLDRXFSSR-MOPGFXCFSA-N 1 3 333.476 0.670 20 0 ECADHO OC[C@@H](CN1CCCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722521 440698346 /nfs/dbraw/zinc/69/83/46/440698346.db2.gz QJEYBXLDRXFSSR-MOPGFXCFSA-N 1 3 333.476 0.670 20 0 ECADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656024960 440693876 /nfs/dbraw/zinc/69/38/76/440693876.db2.gz ZHXFMTXWBWZHJY-JKSUJKDBSA-N 1 3 336.480 0.625 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000656029063 440700089 /nfs/dbraw/zinc/70/00/89/440700089.db2.gz UZFBEUBDFYEQTD-ARFHVFGLSA-N 1 3 336.480 0.720 20 0 ECADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000666973966 440717260 /nfs/dbraw/zinc/71/72/60/440717260.db2.gz GQXDERNJUJXBGB-DLBZAZTESA-N 1 3 334.464 0.895 20 0 ECADHO O=C(N1CCNCC1)N1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000629546295 440725638 /nfs/dbraw/zinc/72/56/38/440725638.db2.gz OTLKDDIBAFXQHV-UHFFFAOYSA-N 1 3 343.475 0.475 20 0 ECADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCNC(=O)CC2)c1 ZINC000634959195 440729027 /nfs/dbraw/zinc/72/90/27/440729027.db2.gz KDUKCELEFCXGKA-INIZCTEOSA-N 1 3 332.448 0.736 20 0 ECADHO O[C@H](CNCc1ccccc1CN1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000629574901 440734743 /nfs/dbraw/zinc/73/47/43/440734743.db2.gz PTDFCVORFJKVTG-RTBURBONSA-N 1 3 333.476 0.800 20 0 ECADHO CCC[NH+]1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000645115864 440749964 /nfs/dbraw/zinc/74/99/64/440749964.db2.gz XVBQLSPXQTTXOI-AWEZNQCLSA-N 1 3 339.484 0.622 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656285717 440751713 /nfs/dbraw/zinc/75/17/13/440751713.db2.gz GCNXFUWPHPUNRJ-CVEARBPZSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[N@H+](C)C1CC1 ZINC000656308414 440760391 /nfs/dbraw/zinc/76/03/91/440760391.db2.gz AFONHDNFEBPVQQ-BMFZPTHFSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[N@@H+](C)C1CC1 ZINC000656308414 440760398 /nfs/dbraw/zinc/76/03/98/440760398.db2.gz AFONHDNFEBPVQQ-BMFZPTHFSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC[N@@H+]1C ZINC000656317382 440767036 /nfs/dbraw/zinc/76/70/36/440767036.db2.gz XARHZIPDKBUEDX-LVQVYYBASA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC[N@H+]1C ZINC000656317382 440767038 /nfs/dbraw/zinc/76/70/38/440767038.db2.gz XARHZIPDKBUEDX-LVQVYYBASA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000645262663 440771867 /nfs/dbraw/zinc/77/18/67/440771867.db2.gz IPEQFNJDJWMYGV-LSDHHAIUSA-N 1 3 339.484 0.478 20 0 ECADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000645262663 440771872 /nfs/dbraw/zinc/77/18/72/440771872.db2.gz IPEQFNJDJWMYGV-LSDHHAIUSA-N 1 3 339.484 0.478 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656333416 440771865 /nfs/dbraw/zinc/77/18/65/440771865.db2.gz IABJRVFLRNDBEU-IWCQGFGOSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656333416 440771869 /nfs/dbraw/zinc/77/18/69/440771869.db2.gz IABJRVFLRNDBEU-IWCQGFGOSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C[NH+]1CCCC1 ZINC000645263335 440773763 /nfs/dbraw/zinc/77/37/63/440773763.db2.gz XLWPTRHVFXYAJZ-CABCVRRESA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CN1C1CC1 ZINC000656333555 440775631 /nfs/dbraw/zinc/77/56/31/440775631.db2.gz IWDWHUQLOQLOGN-OHFALNGGSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CN1C1CC1 ZINC000656333555 440775635 /nfs/dbraw/zinc/77/56/35/440775635.db2.gz IWDWHUQLOQLOGN-OHFALNGGSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645360787 440791144 /nfs/dbraw/zinc/79/11/44/440791144.db2.gz DXZMYYIKMBPSFG-HOCLYGCPSA-N 1 3 336.480 0.975 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000635479109 440863067 /nfs/dbraw/zinc/86/30/67/440863067.db2.gz DCMHJYZTDOFYNR-INIZCTEOSA-N 1 3 327.469 0.668 20 0 ECADHO OC(CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661203086 440812967 /nfs/dbraw/zinc/81/29/67/440812967.db2.gz CZYVVMDXJHALBD-ARAZSQDJSA-N 1 3 338.492 0.533 20 0 ECADHO OC(CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661203086 440812973 /nfs/dbraw/zinc/81/29/73/440812973.db2.gz CZYVVMDXJHALBD-ARAZSQDJSA-N 1 3 338.492 0.533 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000635328790 440822844 /nfs/dbraw/zinc/82/28/44/440822844.db2.gz SOUHZZWHCCUQNK-HOTGVXAUSA-N 1 3 327.469 0.714 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000635328790 440822849 /nfs/dbraw/zinc/82/28/49/440822849.db2.gz SOUHZZWHCCUQNK-HOTGVXAUSA-N 1 3 327.469 0.714 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC000635482750 440867094 /nfs/dbraw/zinc/86/70/94/440867094.db2.gz NABPHYDUOPLCMO-UHFFFAOYSA-N 1 3 346.475 0.936 20 0 ECADHO CN(CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CC(C)(C)C ZINC000635489236 440869349 /nfs/dbraw/zinc/86/93/49/440869349.db2.gz XXBGLWISXFQNKB-CQSZACIVSA-N 1 3 326.485 0.668 20 0 ECADHO CN(CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)CC(C)(C)C ZINC000635489236 440869355 /nfs/dbraw/zinc/86/93/55/440869355.db2.gz XXBGLWISXFQNKB-CQSZACIVSA-N 1 3 326.485 0.668 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635489356 440869389 /nfs/dbraw/zinc/86/93/89/440869389.db2.gz YYDGJITYBRANAE-ZBFHGGJFSA-N 1 3 336.480 0.707 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635489356 440869395 /nfs/dbraw/zinc/86/93/95/440869395.db2.gz YYDGJITYBRANAE-ZBFHGGJFSA-N 1 3 336.480 0.707 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000640568948 440951231 /nfs/dbraw/zinc/95/12/31/440951231.db2.gz BOVXYNUEICQIFI-WMZOPIPTSA-N 1 3 337.512 0.798 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000635698709 440954533 /nfs/dbraw/zinc/95/45/33/440954533.db2.gz FCMUTCFYROOSSU-IAGOWNOFSA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000635698709 440954536 /nfs/dbraw/zinc/95/45/36/440954536.db2.gz FCMUTCFYROOSSU-IAGOWNOFSA-N 1 3 341.496 0.914 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000645958612 440956544 /nfs/dbraw/zinc/95/65/44/440956544.db2.gz PMPYHOKYKQSFRE-ZBFHGGJFSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000645803158 440924437 /nfs/dbraw/zinc/92/44/37/440924437.db2.gz BQXODHGPOYGHLQ-CKEIUWERSA-N 1 3 335.452 0.916 20 0 ECADHO CN(C)CCn1cc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cn1 ZINC000645803370 440924491 /nfs/dbraw/zinc/92/44/91/440924491.db2.gz VHEZTEPRGMUVLG-LBPRGKRZSA-N 1 3 332.412 0.041 20 0 ECADHO O=C([C@H]1CN2CCN1CCC2)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640445965 440926704 /nfs/dbraw/zinc/92/67/04/440926704.db2.gz OHWZSWFLHLEZBP-QGZVFWFLSA-N 1 3 329.448 0.510 20 0 ECADHO CN(C)[C@H](CNC(=O)Cn1cc(COCC[NH3+])nn1)c1ccccc1 ZINC000640837547 441003203 /nfs/dbraw/zinc/00/32/03/441003203.db2.gz ULRSMJIWISEIBL-MRXNPFEDSA-N 1 3 346.435 0.173 20 0 ECADHO CCN(C)C(=O)CC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337055 441017351 /nfs/dbraw/zinc/01/73/51/441017351.db2.gz IUQAIQFFRKKUBI-HNNXBMFYSA-N 1 3 348.495 0.867 20 0 ECADHO CCN(C)C(=O)CC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337055 441017354 /nfs/dbraw/zinc/01/73/54/441017354.db2.gz IUQAIQFFRKKUBI-HNNXBMFYSA-N 1 3 348.495 0.867 20 0 ECADHO O[C@@H](CNCc1ccc(OCC[NH+]2CCCC2)cc1)Cn1ccnn1 ZINC000657153028 440973295 /nfs/dbraw/zinc/97/32/95/440973295.db2.gz LRVBHJWHGIOEBG-KRWDZBQOSA-N 1 3 345.447 0.903 20 0 ECADHO [NH3+]CCn1cc(C(=O)NCC2CCN(Cc3cccs3)CC2)nn1 ZINC000662425313 441035424 /nfs/dbraw/zinc/03/54/24/441035424.db2.gz DKPFQWOPTQUFOA-UHFFFAOYSA-N 1 3 348.476 0.940 20 0 ECADHO O=C(CNC(=O)N[C@H]1CCC[NH2+]CC1)NCCN1CCCCCC1 ZINC000641076321 441053535 /nfs/dbraw/zinc/05/35/35/441053535.db2.gz SAKLCJNINJIREZ-HNNXBMFYSA-N 1 3 339.484 0.420 20 0 ECADHO CCC[NH+](CCC)CCCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339638041 320992543 /nfs/dbraw/zinc/99/25/43/320992543.db2.gz LGGLKAIELYLJAP-UHFFFAOYSA-N 1 3 326.485 0.825 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340208652 321021986 /nfs/dbraw/zinc/02/19/86/321021986.db2.gz DWJKMMJUCNVCMA-OAHLLOKOSA-N 1 3 326.485 0.683 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000340218769 321023925 /nfs/dbraw/zinc/02/39/25/321023925.db2.gz SYUXGSHYCFRSSU-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000340218769 321023927 /nfs/dbraw/zinc/02/39/27/321023927.db2.gz SYUXGSHYCFRSSU-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340219187 321024394 /nfs/dbraw/zinc/02/43/94/321024394.db2.gz ZRIDNQMSYMIYDH-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000340251188 321029070 /nfs/dbraw/zinc/02/90/70/321029070.db2.gz BUFZMXDJQIFEIK-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000340251188 321029071 /nfs/dbraw/zinc/02/90/71/321029071.db2.gz BUFZMXDJQIFEIK-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000340253366 321029753 /nfs/dbraw/zinc/02/97/53/321029753.db2.gz IXEQATSOPOGSPU-HNNXBMFYSA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000340262016 321031914 /nfs/dbraw/zinc/03/19/14/321031914.db2.gz LGAGGPNJXATUCK-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[N@@H+]1C ZINC000340424573 321043719 /nfs/dbraw/zinc/04/37/19/321043719.db2.gz RJQKEKPDKMOVGS-IOASZLSFSA-N 1 3 342.509 0.139 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[N@H+]1C ZINC000340424573 321043720 /nfs/dbraw/zinc/04/37/20/321043720.db2.gz RJQKEKPDKMOVGS-IOASZLSFSA-N 1 3 342.509 0.139 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000340575667 321045003 /nfs/dbraw/zinc/04/50/03/321045003.db2.gz NNIFMXBLGWHMEQ-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000340575667 321045005 /nfs/dbraw/zinc/04/50/05/321045005.db2.gz NNIFMXBLGWHMEQ-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO CC(C)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000341240150 321052421 /nfs/dbraw/zinc/05/24/21/321052421.db2.gz NPDOPHGCZABTJM-INIZCTEOSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N(C)C1CC1 ZINC000341987574 321071082 /nfs/dbraw/zinc/07/10/82/321071082.db2.gz YOLKKQBTRACRNK-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N(C)C1CC1 ZINC000341987574 321071083 /nfs/dbraw/zinc/07/10/83/321071083.db2.gz YOLKKQBTRACRNK-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000343157456 321125480 /nfs/dbraw/zinc/12/54/80/321125480.db2.gz ZPPJUVFQSJVGSK-QXSJWSMHSA-N 1 3 340.512 0.925 20 0 ECADHO COCCOc1ccccc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347019998 321227095 /nfs/dbraw/zinc/22/70/95/321227095.db2.gz MPGFSEQDTXDJOV-MRXNPFEDSA-N 1 3 335.448 0.999 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCN1C ZINC000347964115 321260266 /nfs/dbraw/zinc/26/02/66/321260266.db2.gz FMTWEADTVSGXKL-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCN(CCC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000350667192 321325995 /nfs/dbraw/zinc/32/59/95/321325995.db2.gz BDMYCLGIBDUTPE-UHFFFAOYSA-N 1 3 340.512 0.366 20 0 ECADHO O=C(NCCNc1ccncc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356382958 321529132 /nfs/dbraw/zinc/52/91/32/321529132.db2.gz XBKYGXIRWWDBAK-UHFFFAOYSA-N 1 3 347.463 0.860 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000535430684 322079882 /nfs/dbraw/zinc/07/98/82/322079882.db2.gz UCFPUVLOHCROFM-WMLDXEAASA-N 1 3 337.512 0.794 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000556360157 322190624 /nfs/dbraw/zinc/19/06/24/322190624.db2.gz JXGKJMMEXJUGQD-ARFHVFGLSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000556360157 322190626 /nfs/dbraw/zinc/19/06/26/322190626.db2.gz JXGKJMMEXJUGQD-ARFHVFGLSA-N 1 3 334.464 0.426 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCCC[NH+](C)C ZINC000556939970 322200250 /nfs/dbraw/zinc/20/02/50/322200250.db2.gz MOWYOBIXTWKNHP-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000561243402 322257536 /nfs/dbraw/zinc/25/75/36/322257536.db2.gz KFRVASYCVNGABC-ZNMIVQPWSA-N 1 3 326.485 0.585 20 0 ECADHO O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000562958139 322289766 /nfs/dbraw/zinc/28/97/66/322289766.db2.gz PRBLLTRUHQZDBR-IRXDYDNUSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC000563147545 322301345 /nfs/dbraw/zinc/30/13/45/322301345.db2.gz JAMNFAPMPOKHMK-LSDHHAIUSA-N 1 3 326.485 0.443 20 0 ECADHO CCN1CCN(CCCCNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000563715877 322340293 /nfs/dbraw/zinc/34/02/93/322340293.db2.gz LWSNNJAGOAQMPV-UHFFFAOYSA-N 1 3 340.512 0.807 20 0 ECADHO C[C@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)[C@H](c1ccccc1)N(C)C ZINC000564873135 322402263 /nfs/dbraw/zinc/40/22/63/322402263.db2.gz KOICRDNZCYEWDC-QXAKKESOSA-N 1 3 334.508 0.876 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000564936624 322410138 /nfs/dbraw/zinc/41/01/38/322410138.db2.gz HDEKEGQXPYPPTI-LJQANCHMSA-N 1 3 331.460 0.881 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000566236682 322516568 /nfs/dbraw/zinc/51/65/68/322516568.db2.gz INAMSNQTXNJODY-DZKIICNBSA-N 1 3 334.464 0.518 20 0 ECADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000566854630 322557681 /nfs/dbraw/zinc/55/76/81/322557681.db2.gz DHXHIYATGIUCHS-BBWFWOEESA-N 1 3 349.479 0.466 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569846157 322667183 /nfs/dbraw/zinc/66/71/83/322667183.db2.gz REMHWZFCKSMVKJ-NWDGAFQWSA-N 1 3 336.436 0.937 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000570057707 322674602 /nfs/dbraw/zinc/67/46/02/322674602.db2.gz DDEMJSZSBKQFMR-UHFFFAOYSA-N 1 3 332.448 0.574 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)CN(C)C)CC1 ZINC000572015898 322738036 /nfs/dbraw/zinc/73/80/36/322738036.db2.gz DVAXKNNXZARYFS-ZDUSSCGKSA-N 1 3 327.473 0.226 20 0 ECADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000576227954 322803536 /nfs/dbraw/zinc/80/35/36/322803536.db2.gz NVGDXPWSKURGIY-CQSZACIVSA-N 1 3 332.452 0.184 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000576819330 322816738 /nfs/dbraw/zinc/81/67/38/322816738.db2.gz GEZWDEOMAAMDQM-AWEZNQCLSA-N 1 3 343.493 0.473 20 0 ECADHO CCC[NH2+][C@H](C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000576821206 322816976 /nfs/dbraw/zinc/81/69/76/322816976.db2.gz DAYQKEJOEVUMGE-CQSZACIVSA-N 1 3 334.464 0.982 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)C[C@@H]12 ZINC000578858128 322877405 /nfs/dbraw/zinc/87/74/05/322877405.db2.gz UHOYBLBPLCGXNJ-KLHDSHLOSA-N 1 3 334.464 0.269 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000263259868 535891758 /nfs/dbraw/zinc/89/17/58/535891758.db2.gz LYLQBNNFACYYME-JKSUJKDBSA-N 1 3 332.448 0.722 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000263259866 535892127 /nfs/dbraw/zinc/89/21/27/535892127.db2.gz LYLQBNNFACYYME-HZPDHXFCSA-N 1 3 332.448 0.722 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)o2)C1 ZINC000268828626 545954062 /nfs/dbraw/zinc/95/40/62/545954062.db2.gz NSBRKGOCAVMWBA-OKILXGFUSA-N 1 3 348.447 0.832 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)o2)C1 ZINC000268828626 545954066 /nfs/dbraw/zinc/95/40/66/545954066.db2.gz NSBRKGOCAVMWBA-OKILXGFUSA-N 1 3 348.447 0.832 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000417568956 546210671 /nfs/dbraw/zinc/21/06/71/546210671.db2.gz UPJQQVJYVNUIHU-HNNXBMFYSA-N 1 3 341.500 0.746 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028027 546609274 /nfs/dbraw/zinc/60/92/74/546609274.db2.gz KVGPDJJFOULRHR-QAPCUYQASA-N 1 3 338.496 0.907 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000624387380 546912334 /nfs/dbraw/zinc/91/23/34/546912334.db2.gz NMEXWYFQTNZGMZ-UHFFFAOYSA-N 1 3 327.450 0.534 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625543825 547143951 /nfs/dbraw/zinc/14/39/51/547143951.db2.gz WVIPEOXOSBAUMO-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1csc(C(N)=O)c1 ZINC000640182265 547397666 /nfs/dbraw/zinc/39/76/66/547397666.db2.gz ABCRUKJYVXZBNJ-UHFFFAOYSA-N 1 3 327.454 0.804 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000668347855 547627415 /nfs/dbraw/zinc/62/74/15/547627415.db2.gz GQIMSJSMCVDOIF-OAHLLOKOSA-N 1 3 326.485 0.822 20 0 ECADHO CCN(C(=O)C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CCN(CC)C1 ZINC000668682188 547722755 /nfs/dbraw/zinc/72/27/55/547722755.db2.gz AMAKABZKBDXQJZ-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC)[C@H]1CCN(CC)C1 ZINC000668794960 547750985 /nfs/dbraw/zinc/75/09/85/547750985.db2.gz BSYGORKRULFHMR-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC)[C@H]1CCN(CC)C1 ZINC000668794960 547750990 /nfs/dbraw/zinc/75/09/90/547750990.db2.gz BSYGORKRULFHMR-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NCC[NH2+]C2CC2)c1 ZINC000669452574 547891031 /nfs/dbraw/zinc/89/10/31/547891031.db2.gz XVVUODPZXGMJRY-UHFFFAOYSA-N 1 3 347.463 0.529 20 0 ECADHO CCC[C@H]1CNCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000669484237 547895202 /nfs/dbraw/zinc/89/52/02/547895202.db2.gz LIPKWVRDBPHXPN-WBVHZDCISA-N 1 3 337.512 0.938 20 0 ECADHO CCC[C@H]1CNCCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669484237 547895204 /nfs/dbraw/zinc/89/52/04/547895204.db2.gz LIPKWVRDBPHXPN-WBVHZDCISA-N 1 3 337.512 0.938 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1cccnc1 ZINC000670422602 548004879 /nfs/dbraw/zinc/00/48/79/548004879.db2.gz ASDQEHSDCCRYRM-CQSZACIVSA-N 1 3 335.452 0.211 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000670984675 548076663 /nfs/dbraw/zinc/07/66/63/548076663.db2.gz RQJGPNPRWFPCQY-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000670997878 548078276 /nfs/dbraw/zinc/07/82/76/548078276.db2.gz JMKLQGMYXVXFQJ-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000670997431 548078405 /nfs/dbraw/zinc/07/84/05/548078405.db2.gz HXZIBSDOWWNCKM-HOTGVXAUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000670997876 548078581 /nfs/dbraw/zinc/07/85/81/548078581.db2.gz JMKLQGMYXVXFQJ-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671123248 548096583 /nfs/dbraw/zinc/09/65/83/548096583.db2.gz DXVOVNWTJXHWAI-IJEWVQPXSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671123248 548096586 /nfs/dbraw/zinc/09/65/86/548096586.db2.gz DXVOVNWTJXHWAI-IJEWVQPXSA-N 1 3 334.464 0.282 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000671376016 548131406 /nfs/dbraw/zinc/13/14/06/548131406.db2.gz TUWZAQWHADMYIQ-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672308446 548305516 /nfs/dbraw/zinc/30/55/16/548305516.db2.gz OFWYJMVRKCRLBU-INIZCTEOSA-N 1 3 348.491 0.578 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000672694450 548373445 /nfs/dbraw/zinc/37/34/45/548373445.db2.gz UWOKJFSQIKZFIO-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000672695709 548373531 /nfs/dbraw/zinc/37/35/31/548373531.db2.gz SQVMBBXMZXBJJB-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000672695709 548373535 /nfs/dbraw/zinc/37/35/35/548373535.db2.gz SQVMBBXMZXBJJB-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000672698509 548374583 /nfs/dbraw/zinc/37/45/83/548374583.db2.gz RTLNIDCONHLZQS-KFWWJZLASA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)C(=O)NCCN(C)C ZINC000677521323 548939730 /nfs/dbraw/zinc/93/97/30/548939730.db2.gz JJWBYORDYAHYQZ-CABCVRRESA-N 1 3 336.484 0.607 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1(C)C ZINC000685048973 549650165 /nfs/dbraw/zinc/65/01/65/549650165.db2.gz BSTWQAKAHUZZEI-MRXNPFEDSA-N 1 3 337.512 0.796 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1(C)C ZINC000685048973 549650168 /nfs/dbraw/zinc/65/01/68/549650168.db2.gz BSTWQAKAHUZZEI-MRXNPFEDSA-N 1 3 337.512 0.796 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4C[C@]4(CO)C3)CC2)CC1 ZINC000782953947 578736147 /nfs/dbraw/zinc/73/61/47/578736147.db2.gz MGZZLYUYOJASRM-KBXCAEBGSA-N 1 3 336.480 0.569 20 0 ECADHO C[NH+](C)CCOCCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000788017340 578825588 /nfs/dbraw/zinc/82/55/88/578825588.db2.gz JYOWLINSUDMPSP-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CSC(=O)N3)CC2)CC1 ZINC000746185001 579832404 /nfs/dbraw/zinc/83/24/04/579832404.db2.gz LCILYMGBBYIZGB-ZDUSSCGKSA-N 1 3 326.466 0.486 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841139090 588979224 /nfs/dbraw/zinc/97/92/24/588979224.db2.gz AZMIUTQCQJEYRT-HNNXBMFYSA-N 1 3 348.447 0.904 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCCC[NH2+]C)cc2)CC1 ZINC000841155020 588979783 /nfs/dbraw/zinc/97/97/83/588979783.db2.gz LKCGHXDYDAFBOM-UHFFFAOYSA-N 1 3 347.463 0.493 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[NH+]1CCCCC1 ZINC000841727385 588999438 /nfs/dbraw/zinc/99/94/38/588999438.db2.gz ZDUDBAUJILFKPD-HOCLYGCPSA-N 1 3 349.483 0.958 20 0 ECADHO Cc1cc([C@H](N)CC(=O)N2CCN(C)C[C@H]2C[NH3+])cc(Cl)n1 ZINC000841848852 589002923 /nfs/dbraw/zinc/00/29/23/589002923.db2.gz YFJNGEDBZAZOTC-CHWSQXEVSA-N 1 3 325.844 0.535 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CCCCC1 ZINC000842023342 589008785 /nfs/dbraw/zinc/00/87/85/589008785.db2.gz DVIVDOSPDQKZCO-SFHVURJKSA-N 1 3 336.480 0.722 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842229242 589022697 /nfs/dbraw/zinc/02/26/97/589022697.db2.gz DJTLCBVKSJGPKT-QGZVFWFLSA-N 1 3 346.475 0.745 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842266254 589025349 /nfs/dbraw/zinc/02/53/49/589025349.db2.gz GPHXUCPAUMWNIU-RHSMWYFYSA-N 1 3 346.475 0.821 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891355908 586164962 /nfs/dbraw/zinc/16/49/62/586164962.db2.gz BQEORVKWWGQBCO-SJLPKXTDSA-N 1 3 337.512 0.988 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000891483852 586170776 /nfs/dbraw/zinc/17/07/76/586170776.db2.gz SDORQZTXPDTJFO-MGPQQGTHSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891673277 586187798 /nfs/dbraw/zinc/18/77/98/586187798.db2.gz JFTBMHSBACHAAH-FVQBIDKESA-N 1 3 336.480 0.927 20 0 ECADHO CCN(C(=O)NCc1ccnc(OCCN(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000891728347 586191925 /nfs/dbraw/zinc/19/19/25/586191925.db2.gz XFAHVUJJOKJBFQ-HNNXBMFYSA-N 1 3 335.452 0.915 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000895665956 586197338 /nfs/dbraw/zinc/19/73/38/586197338.db2.gz HPCAGNKIOBCPPC-IMJJTQAJSA-N 1 3 326.485 0.983 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000895665956 586197336 /nfs/dbraw/zinc/19/73/36/586197336.db2.gz HPCAGNKIOBCPPC-IMJJTQAJSA-N 1 3 326.485 0.983 20 0 ECADHO CN1CCN(C2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000892158827 586225585 /nfs/dbraw/zinc/22/55/85/586225585.db2.gz KOHIYYIZBKGDKI-MRXNPFEDSA-N 1 3 337.512 0.940 20 0 ECADHO CCOC(=O)CNC(=O)C1CC[NH+](CC2CCN(C)CC2)CC1 ZINC000892231809 586237359 /nfs/dbraw/zinc/23/73/59/586237359.db2.gz GEIUAYVQBWQXHF-UHFFFAOYSA-N 1 3 325.453 0.720 20 0 ECADHO O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@@H]1CCCN1CCCO ZINC000892332626 586252844 /nfs/dbraw/zinc/25/28/44/586252844.db2.gz WSTJETWYIBZULC-KRWDZBQOSA-N 1 3 346.475 0.978 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@]3(C)CCNC3=O)CC2)CC1 ZINC000892522104 586271436 /nfs/dbraw/zinc/27/14/36/586271436.db2.gz PSIZPHJSCCVUIS-KRWDZBQOSA-N 1 3 337.468 0.123 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C[C@H]1C[NH3+] ZINC000892789071 586291027 /nfs/dbraw/zinc/29/10/27/586291027.db2.gz KQTRGGRZZIDVAX-IXDOHACOSA-N 1 3 332.448 0.706 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893384773 586327804 /nfs/dbraw/zinc/32/78/04/586327804.db2.gz ZDOZGCSTLCENNN-HOTGVXAUSA-N 1 3 326.485 0.959 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893384773 586327807 /nfs/dbraw/zinc/32/78/07/586327807.db2.gz ZDOZGCSTLCENNN-HOTGVXAUSA-N 1 3 326.485 0.959 20 0 ECADHO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000897557506 586343714 /nfs/dbraw/zinc/34/37/14/586343714.db2.gz NKXVUKQYXMAYHD-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000897557506 586343717 /nfs/dbraw/zinc/34/37/17/586343717.db2.gz NKXVUKQYXMAYHD-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897557986 586344419 /nfs/dbraw/zinc/34/44/19/586344419.db2.gz CRHYZGXUXUTIAT-OAHLLOKOSA-N 1 3 341.500 0.380 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897557986 586344421 /nfs/dbraw/zinc/34/44/21/586344421.db2.gz CRHYZGXUXUTIAT-OAHLLOKOSA-N 1 3 341.500 0.380 20 0 ECADHO COC(=O)[C@H]1CC[C@@H](NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000894854074 586416015 /nfs/dbraw/zinc/41/60/15/586416015.db2.gz CMHLOOMEFLKQFG-LSDHHAIUSA-N 1 3 325.453 0.910 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000867324104 589057438 /nfs/dbraw/zinc/05/74/38/589057438.db2.gz PXSXESQOSLVLPB-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000867324104 589057439 /nfs/dbraw/zinc/05/74/39/589057439.db2.gz PXSXESQOSLVLPB-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000900694618 586653563 /nfs/dbraw/zinc/65/35/63/586653563.db2.gz FGKRNQQLWRKFMO-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000900688155 586656543 /nfs/dbraw/zinc/65/65/43/586656543.db2.gz ZPQBLCQGROWIGH-OAHLLOKOSA-N 1 3 338.496 0.239 20 0 ECADHO CC1(OCC(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CNC1 ZINC000843329287 589061632 /nfs/dbraw/zinc/06/16/32/589061632.db2.gz FPYVROJBMNOPHZ-UHFFFAOYSA-N 1 3 347.415 0.912 20 0 ECADHO COC[C@@H](CCC[NH3+])NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000902514039 586741255 /nfs/dbraw/zinc/74/12/55/586741255.db2.gz LHPYRKWQMSZBCT-CQSZACIVSA-N 1 3 329.466 0.926 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000903464455 586776384 /nfs/dbraw/zinc/77/63/84/586776384.db2.gz OBGBJXMFGGLPQC-PMPSAXMXSA-N 1 3 332.496 0.854 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)Nc1ccccn1 ZINC000903505881 586778456 /nfs/dbraw/zinc/77/84/56/586778456.db2.gz KPOPDWZVLTWLRF-IYBDPMFKSA-N 1 3 329.448 0.921 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)Nc1ccccn1 ZINC000903505881 586778460 /nfs/dbraw/zinc/77/84/60/586778460.db2.gz KPOPDWZVLTWLRF-IYBDPMFKSA-N 1 3 329.448 0.921 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NCC(F)(F)F ZINC000903511081 586780922 /nfs/dbraw/zinc/78/09/22/586780922.db2.gz NLGFSACPKYPFFY-BETUJISGSA-N 1 3 334.386 0.566 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NCC(F)(F)F ZINC000903511081 586780923 /nfs/dbraw/zinc/78/09/23/586780923.db2.gz NLGFSACPKYPFFY-BETUJISGSA-N 1 3 334.386 0.566 20 0 ECADHO O=S(=O)(CCCN1CCCC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544159 586784313 /nfs/dbraw/zinc/78/43/13/586784313.db2.gz JKFRSIATMVVMTR-HNNXBMFYSA-N 1 3 345.509 0.550 20 0 ECADHO O=C1CNCCN1[C@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903744869 586807700 /nfs/dbraw/zinc/80/77/00/586807700.db2.gz YIGBDUPQOSPTEG-JKSUJKDBSA-N 1 3 336.480 0.041 20 0 ECADHO C[C@H](NC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccc(S(N)(=O)=O)cc1 ZINC000903791302 586813079 /nfs/dbraw/zinc/81/30/79/586813079.db2.gz RLWGMRGHRYPCDB-DUVNUKRYSA-N 1 3 339.461 0.753 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C[C@H]1CC[NH3+] ZINC000903778126 586814038 /nfs/dbraw/zinc/81/40/38/586814038.db2.gz IZEWCTCGBGUJGL-RKVPGOIHSA-N 1 3 336.480 0.374 20 0 ECADHO NC(=O)Cc1cccc2c1CCN(C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903777356 586814198 /nfs/dbraw/zinc/81/41/98/586814198.db2.gz APBDQHPQHZBUBW-LPHOPBHVSA-N 1 3 329.444 0.841 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCC(CN3CCOCC3)CC2)cnn1C ZINC000903880527 586822588 /nfs/dbraw/zinc/82/25/88/586822588.db2.gz SGZLWWMWUOOPBW-GOSISDBHSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCC(Cn3ccnn3)CC2)cnn1C ZINC000903896931 586824463 /nfs/dbraw/zinc/82/44/63/586824463.db2.gz BPFISJCMEUGBJO-MRXNPFEDSA-N 1 3 331.468 0.850 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@H](CN3CCCC3=O)C2)cnn1C ZINC000903933820 586827088 /nfs/dbraw/zinc/82/70/88/586827088.db2.gz WDWBGHPYNVKKSJ-JKSUJKDBSA-N 1 3 333.480 0.790 20 0 ECADHO [NH3+][C@H]1C[C@@H](CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000904341468 586835427 /nfs/dbraw/zinc/83/54/27/586835427.db2.gz ROJMDKYXUVHOOM-GASCZTMLSA-N 1 3 332.452 0.173 20 0 ECADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@]32CN)CC1 ZINC000904971743 586851705 /nfs/dbraw/zinc/85/17/05/586851705.db2.gz KCOVDIAXKFQMEA-QAPCUYQASA-N 1 3 336.480 0.517 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000904973769 586852219 /nfs/dbraw/zinc/85/22/19/586852219.db2.gz QPXZQOKHMJYEIA-RVKKMQEKSA-N 1 3 334.464 0.413 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC[C@H](O)C2(O)CCOCC2)c1 ZINC000905089042 586867647 /nfs/dbraw/zinc/86/76/47/586867647.db2.gz LHLIBXCPXOOCST-KRWDZBQOSA-N 1 3 338.448 0.619 20 0 ECADHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@@H](O)C2(O)CCC2)c1 ZINC000905090098 586868077 /nfs/dbraw/zinc/86/80/77/586868077.db2.gz UQKIXKJOMSGXDU-MRXNPFEDSA-N 1 3 335.448 0.344 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC[C@@H](O)C2(O)CCOCC2)cc1 ZINC000905089374 586868198 /nfs/dbraw/zinc/86/81/98/586868198.db2.gz OXZKKXZCDSZVEZ-QGZVFWFLSA-N 1 3 338.448 0.619 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000843492217 589071989 /nfs/dbraw/zinc/07/19/89/589071989.db2.gz BDJUHODDYPQJRT-HNNXBMFYSA-N 1 3 341.452 0.146 20 0 ECADHO CN(C)CCN1CCC([NH2+]C[C@H](O)CC2(CO)CCCC2)CC1 ZINC000905295376 586881968 /nfs/dbraw/zinc/88/19/68/586881968.db2.gz RYBJBRXLTXQYIP-QGZVFWFLSA-N 1 3 327.513 0.906 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000907085327 587014510 /nfs/dbraw/zinc/01/45/10/587014510.db2.gz SNJQKDHPOQUMEG-MAUKXSAKSA-N 1 3 334.508 0.955 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000907085327 587014513 /nfs/dbraw/zinc/01/45/13/587014513.db2.gz SNJQKDHPOQUMEG-MAUKXSAKSA-N 1 3 334.508 0.955 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000907089764 587015031 /nfs/dbraw/zinc/01/50/31/587015031.db2.gz GKJVZQKTZRIROH-IXDOHACOSA-N 1 3 338.496 0.190 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000817766639 587383176 /nfs/dbraw/zinc/38/31/76/587383176.db2.gz HTRJBHYCLGYSTD-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000817766639 587383178 /nfs/dbraw/zinc/38/31/78/587383178.db2.gz HTRJBHYCLGYSTD-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(CN(C)C)cc2)C1 ZINC000817954305 587393425 /nfs/dbraw/zinc/39/34/25/587393425.db2.gz YGOQPJUALPRMDF-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO O=C(CCOC1CNC1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000818537441 587437796 /nfs/dbraw/zinc/43/77/96/587437796.db2.gz KJHBMWGJTCJCRY-UHFFFAOYSA-N 1 3 347.415 0.912 20 0 ECADHO COC(=O)N1CCC(C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000826545053 588068550 /nfs/dbraw/zinc/06/85/50/588068550.db2.gz WEXKGYTXAKRYOZ-UHFFFAOYSA-N 1 3 328.457 0.417 20 0 ECADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000827936989 588147614 /nfs/dbraw/zinc/14/76/14/588147614.db2.gz ZIWBAJVMKMYANE-ROUUACIJSA-N 1 3 329.444 0.968 20 0 ECADHO CCCCCCN(C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000832526367 588487119 /nfs/dbraw/zinc/48/71/19/588487119.db2.gz ATLZQNJXKVXKDZ-OAHLLOKOSA-N 1 3 326.485 0.812 20 0 ECADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2cncn2)nc1 ZINC000849060336 589319073 /nfs/dbraw/zinc/31/90/73/589319073.db2.gz UDZBMSNOZFWPLV-CQSZACIVSA-N 1 3 328.424 0.761 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000851691161 589415298 /nfs/dbraw/zinc/41/52/98/589415298.db2.gz LVRNFCKAJQSIPP-CRAIPNDOSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852858062 589518856 /nfs/dbraw/zinc/51/88/56/589518856.db2.gz ONONJWUMLKAXSK-UKRRQHHQSA-N 1 3 347.463 0.860 20 0 ECADHO O=C(N[C@@H]1CNCCC1(F)F)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000852881600 589521467 /nfs/dbraw/zinc/52/14/67/589521467.db2.gz NFJLETHNBDDPGG-ZYHUDNBSSA-N 1 3 328.367 0.320 20 0 ECADHO [NH3+][C@@H](CC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000852930237 589527222 /nfs/dbraw/zinc/52/72/22/589527222.db2.gz HEEWMAHVUMEMRF-CABCVRRESA-N 1 3 346.479 0.653 20 0 ECADHO CCN1CCC[C@@H]1CNC(=S)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853044511 589530193 /nfs/dbraw/zinc/53/01/93/589530193.db2.gz XTDUFMOUPPITRA-HZPDHXFCSA-N 1 3 340.537 0.876 20 0 ECADHO CCN1CCC[C@@H]1CNC(=S)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853044511 589530195 /nfs/dbraw/zinc/53/01/95/589530195.db2.gz XTDUFMOUPPITRA-HZPDHXFCSA-N 1 3 340.537 0.876 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC1(C)OCCO1 ZINC000853988044 589567234 /nfs/dbraw/zinc/56/72/34/589567234.db2.gz MDZBVINUYWXLHK-AWEZNQCLSA-N 1 3 330.473 0.711 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC1(C)OCCO1 ZINC000853988044 589567236 /nfs/dbraw/zinc/56/72/36/589567236.db2.gz MDZBVINUYWXLHK-AWEZNQCLSA-N 1 3 330.473 0.711 20 0 ECADHO COc1ncc(/C=C\C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000855346719 589627876 /nfs/dbraw/zinc/62/78/76/589627876.db2.gz KCHWDVSSWPOCKN-DANTVBBOSA-N 1 3 335.452 0.887 20 0 ECADHO COc1ncc(/C=C\C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000855346719 589627877 /nfs/dbraw/zinc/62/78/77/589627877.db2.gz KCHWDVSSWPOCKN-DANTVBBOSA-N 1 3 335.452 0.887 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCC1(C)C ZINC000867741526 589833065 /nfs/dbraw/zinc/83/30/65/589833065.db2.gz HFWQBURDHWAZMG-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CCC1(C)C ZINC000867741526 589833066 /nfs/dbraw/zinc/83/30/66/589833066.db2.gz HFWQBURDHWAZMG-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@H]21 ZINC000868165479 589877586 /nfs/dbraw/zinc/87/75/86/589877586.db2.gz BXBOCIZNUCAHHL-UKRRQHHQSA-N 1 3 345.451 0.444 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@H]21 ZINC000868165479 589877588 /nfs/dbraw/zinc/87/75/88/589877588.db2.gz BXBOCIZNUCAHHL-UKRRQHHQSA-N 1 3 345.451 0.444 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)CN1CCN(C)CC1 ZINC000868357848 589896156 /nfs/dbraw/zinc/89/61/56/589896156.db2.gz IMKJFOFSGNASLX-IXDOHACOSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)CN1CCN(C)CC1 ZINC000868357848 589896158 /nfs/dbraw/zinc/89/61/58/589896158.db2.gz IMKJFOFSGNASLX-IXDOHACOSA-N 1 3 337.512 0.606 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868407484 589902804 /nfs/dbraw/zinc/90/28/04/589902804.db2.gz VTSTXTZJUALCRB-CQSZACIVSA-N 1 3 326.485 0.761 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000868412990 589903425 /nfs/dbraw/zinc/90/34/25/589903425.db2.gz AVEWTERBXDGRBG-DJIMGWMZSA-N 1 3 348.491 0.802 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000868412990 589903426 /nfs/dbraw/zinc/90/34/26/589903426.db2.gz AVEWTERBXDGRBG-DJIMGWMZSA-N 1 3 348.491 0.802 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000868783618 589926902 /nfs/dbraw/zinc/92/69/02/589926902.db2.gz JGYFPGPGEYWLIF-INIZCTEOSA-N 1 3 337.512 0.892 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000868783618 589926904 /nfs/dbraw/zinc/92/69/04/589926904.db2.gz JGYFPGPGEYWLIF-INIZCTEOSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000863749738 590033653 /nfs/dbraw/zinc/03/36/53/590033653.db2.gz AKMIEVLZTJDYGM-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO NC[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000870998084 590044083 /nfs/dbraw/zinc/04/40/83/590044083.db2.gz UCKMOEPXRKVDNI-JONQDZQNSA-N 1 3 344.415 0.122 20 0 ECADHO CN(C)[C@@H](CNC(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000872154158 590099441 /nfs/dbraw/zinc/09/94/41/590099441.db2.gz PJNWSCWZHJQSMN-JENIJYKNSA-N 1 3 330.476 0.947 20 0 ECADHO CN(C)CC[NH+]1CCC(NCc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865411128 590144286 /nfs/dbraw/zinc/14/42/86/590144286.db2.gz BNWTWEZACJCNJF-QGZVFWFLSA-N 1 3 336.484 0.573 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873108696 590183739 /nfs/dbraw/zinc/18/37/39/590183739.db2.gz PONMEIOONQJSSY-HNAYVOBHSA-N 1 3 344.459 0.797 20 0 ECADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)C1 ZINC000873217969 590186992 /nfs/dbraw/zinc/18/69/92/590186992.db2.gz WKDSEKHZLUNAHN-CQSZACIVSA-N 1 3 344.459 0.270 20 0 ECADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCc3c(CC(N)=O)cccc3C2)C1 ZINC000873217969 590186994 /nfs/dbraw/zinc/18/69/94/590186994.db2.gz WKDSEKHZLUNAHN-CQSZACIVSA-N 1 3 344.459 0.270 20 0 ECADHO CN1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CCC1(C)C ZINC000875009557 590262276 /nfs/dbraw/zinc/26/22/76/590262276.db2.gz UUTZKPZUPXADMR-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CN1CCC(NC(=O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880201893 590376192 /nfs/dbraw/zinc/37/61/92/590376192.db2.gz USDDDGSVSOSKBO-QGZVFWFLSA-N 1 3 338.496 0.430 20 0 ECADHO O=C(CN1CCNCC1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876519284 590384727 /nfs/dbraw/zinc/38/47/27/590384727.db2.gz VSDUYXSNCOPKER-UHFFFAOYSA-N 1 3 346.431 0.439 20 0 ECADHO COc1cccc([C@H](CNC(=O)[C@@H](N)C[NH+](C)C)N2CCCC2)c1 ZINC000876709122 590400538 /nfs/dbraw/zinc/40/05/38/590400538.db2.gz JNHGLXBODNWYIE-IRXDYDNUSA-N 1 3 334.464 0.837 20 0 ECADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCCN1CCC(O)CC1 ZINC000876724388 590403838 /nfs/dbraw/zinc/40/38/38/590403838.db2.gz VMIHGNMVINIZQZ-HNNXBMFYSA-N 1 3 349.479 0.693 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876880829 590422463 /nfs/dbraw/zinc/42/24/63/590422463.db2.gz NTKMUCHXQNWUSR-UONOGXRCSA-N 1 3 325.453 0.751 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000877132827 590439653 /nfs/dbraw/zinc/43/96/53/590439653.db2.gz OMAZOXSIJOJDAZ-HNNXBMFYSA-N 1 3 349.479 0.917 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1=O ZINC000877136176 590440137 /nfs/dbraw/zinc/44/01/37/590440137.db2.gz ASYFQECIZIBBQC-VNQPRFMTSA-N 1 3 330.432 0.850 20 0 ECADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206059 590444817 /nfs/dbraw/zinc/44/48/17/590444817.db2.gz BBSNDPQVAKXUGD-OTWGJSKGSA-N 1 3 340.431 0.754 20 0 ECADHO CN1CCC(NC(=O)Cn2cc(CC[NH+]3CCCCC3)nn2)CC1 ZINC000881330103 590447492 /nfs/dbraw/zinc/44/74/92/590447492.db2.gz LHOQGBMFMYKXDO-UHFFFAOYSA-N 1 3 334.468 0.517 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1cnnn1C1CC[NH2+]CC1 ZINC000877340408 590458874 /nfs/dbraw/zinc/45/88/74/590458874.db2.gz MRFJWUKTDOVIHP-OAHLLOKOSA-N 1 3 340.431 0.647 20 0 ECADHO C[S@](=O)C1(C(=O)NC[C@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000877339395 590458921 /nfs/dbraw/zinc/45/89/21/590458921.db2.gz ZFHNQGIQJCDKQI-CMJOXMDJSA-N 1 3 335.473 0.318 20 0 ECADHO CS[C@H]1CN(CC(=O)NC2CCN(C)CC2)C[C@H]1[NH+]1CCCC1 ZINC000878429712 590520690 /nfs/dbraw/zinc/52/06/90/590520690.db2.gz NGUXZXROMLNEGB-CVEARBPZSA-N 1 3 340.537 0.708 20 0 ECADHO CN1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000878491481 590524229 /nfs/dbraw/zinc/52/42/29/590524229.db2.gz LXKWMEBWBQFOBK-IRXDYDNUSA-N 1 3 338.496 0.430 20 0 ECADHO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NC3CCN(C)CC3)[C@@H]2C1 ZINC000878623217 590531615 /nfs/dbraw/zinc/53/16/15/590531615.db2.gz HLIHUFJMNXANRF-USXIJHARSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1COCCN1C1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878634627 590532118 /nfs/dbraw/zinc/53/21/18/590532118.db2.gz BSBYHIBJUSZKSN-OAHLLOKOSA-N 1 3 338.496 0.382 20 0 ECADHO CC(C)N1CCN(CCC[NH+]2CCC([C@@H](F)C(N)=O)CC2)CC1 ZINC000879042352 590560025 /nfs/dbraw/zinc/56/00/25/590560025.db2.gz QFNFDTCBFCAJIE-MRXNPFEDSA-N 1 3 328.476 0.938 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000883626920 590633034 /nfs/dbraw/zinc/63/30/34/590633034.db2.gz MGSAUOYKVKFKPG-UHFFFAOYSA-N 1 3 336.440 0.113 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCN1C ZINC000884879000 590640148 /nfs/dbraw/zinc/64/01/48/590640148.db2.gz PCOZOYGSQBAAGJ-KFWWJZLASA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCN1C ZINC000884878999 590640271 /nfs/dbraw/zinc/64/02/71/590640271.db2.gz PCOZOYGSQBAAGJ-ILXRZTDVSA-N 1 3 338.496 0.822 20 0 ECADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCNCCC34CCC4)C2)C1 ZINC000883659130 590646038 /nfs/dbraw/zinc/64/60/38/590646038.db2.gz YAFUANGYUJOKHC-SFHVURJKSA-N 1 3 348.491 0.675 20 0 ECADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCNCCC34CCC4)C2)C1 ZINC000883659130 590646043 /nfs/dbraw/zinc/64/60/43/590646043.db2.gz YAFUANGYUJOKHC-SFHVURJKSA-N 1 3 348.491 0.675 20 0 ECADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@@H]21 ZINC000883659245 590646484 /nfs/dbraw/zinc/64/64/84/590646484.db2.gz BURBYSIZCLRSIQ-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@@H]21 ZINC000883659245 590646489 /nfs/dbraw/zinc/64/64/89/590646489.db2.gz BURBYSIZCLRSIQ-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885014406 590669184 /nfs/dbraw/zinc/66/91/84/590669184.db2.gz GVRVTPYEYFFMRV-FZKCQIBNSA-N 1 3 336.480 0.574 20 0 ECADHO C[NH2+]CCOc1cccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000884207658 590774924 /nfs/dbraw/zinc/77/49/24/590774924.db2.gz BTDLJLUNULZJFR-RDJZCZTQSA-N 1 3 333.432 0.878 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cn1 ZINC000885888198 590777394 /nfs/dbraw/zinc/77/73/94/590777394.db2.gz DNLVUEFJEWOEHI-INIZCTEOSA-N 1 3 335.452 0.428 20 0 ECADHO N[C@H](CC1CC1)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884423562 590825393 /nfs/dbraw/zinc/82/53/93/590825393.db2.gz ZAKZJEAEUFRGJA-HUUCEWRRSA-N 1 3 346.479 0.653 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884546801 590854092 /nfs/dbraw/zinc/85/40/92/590854092.db2.gz VAQWVQMWBAPYNF-KRWDZBQOSA-N 1 3 346.475 0.665 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884546801 590854095 /nfs/dbraw/zinc/85/40/95/590854095.db2.gz VAQWVQMWBAPYNF-KRWDZBQOSA-N 1 3 346.475 0.665 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N(C)C1CC1 ZINC000884616808 590872469 /nfs/dbraw/zinc/87/24/69/590872469.db2.gz CGTMIKUNFGGLKD-KBXCAEBGSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)C1=CCN(C)CC1 ZINC000884624151 590876063 /nfs/dbraw/zinc/87/60/63/590876063.db2.gz ZMGHQJNROKYYPD-ZFWWWQNUSA-N 1 3 336.480 0.647 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000884625855 590876220 /nfs/dbraw/zinc/87/62/20/590876220.db2.gz UQGAPCMOHWCAFS-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884664708 590885622 /nfs/dbraw/zinc/88/56/22/590885622.db2.gz SPVQTXOPDLZHSG-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@]12CN(C(=O)C(=O)NCCN)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884672828 590888602 /nfs/dbraw/zinc/88/86/02/590888602.db2.gz DYPZUTBKBOWIRX-MAUKXSAKSA-N 1 3 330.432 0.042 20 0 ECADHO C[C@@]12CN(C(=O)C(=O)NCCN)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884672828 590888605 /nfs/dbraw/zinc/88/86/05/590888605.db2.gz DYPZUTBKBOWIRX-MAUKXSAKSA-N 1 3 330.432 0.042 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000884680924 590891685 /nfs/dbraw/zinc/89/16/85/590891685.db2.gz FUIAUKOQIVVECT-LSDHHAIUSA-N 1 3 345.447 0.235 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884703059 590901583 /nfs/dbraw/zinc/90/15/83/590901583.db2.gz QVDWMGUJXXANKJ-DZGCQCFKSA-N 1 3 333.436 0.218 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884712492 590905481 /nfs/dbraw/zinc/90/54/81/590905481.db2.gz RXQLDRNDDRBYLI-CQSZACIVSA-N 1 3 347.463 0.752 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1(C)C ZINC000884726188 590911494 /nfs/dbraw/zinc/91/14/94/590911494.db2.gz KPFOZNOBYILAIA-QLFBSQMISA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000884782087 590921768 /nfs/dbraw/zinc/92/17/68/590921768.db2.gz ACHMVIUYKZPLQR-RBSFLKMASA-N 1 3 336.480 0.563 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884787049 590923617 /nfs/dbraw/zinc/92/36/17/590923617.db2.gz FHMYQJUFHVKLRX-KSSFIOAISA-N 1 3 338.496 0.810 20 0 ECADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946598075 611359588 /nfs/dbraw/zinc/35/95/88/611359588.db2.gz XFMKNJJRMYTHFD-VVLHAWIVSA-N 1 3 337.464 0.012 20 0 ECADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946598075 611359589 /nfs/dbraw/zinc/35/95/89/611359589.db2.gz XFMKNJJRMYTHFD-VVLHAWIVSA-N 1 3 337.464 0.012 20 0 ECADHO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)n1 ZINC000925078215 611452102 /nfs/dbraw/zinc/45/21/02/611452102.db2.gz FPUKJAXVBXGORQ-HOCLYGCPSA-N 1 3 336.484 0.664 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925343635 611472856 /nfs/dbraw/zinc/47/28/56/611472856.db2.gz WNKPODYMUHVUOV-HUUCEWRRSA-N 1 3 325.501 0.794 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925343635 611472858 /nfs/dbraw/zinc/47/28/58/611472858.db2.gz WNKPODYMUHVUOV-HUUCEWRRSA-N 1 3 325.501 0.794 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779618 611473018 /nfs/dbraw/zinc/47/30/18/611473018.db2.gz QSROYGKJXCPGMP-HRCADAONSA-N 1 3 336.480 0.387 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779618 611473020 /nfs/dbraw/zinc/47/30/20/611473020.db2.gz QSROYGKJXCPGMP-HRCADAONSA-N 1 3 336.480 0.387 20 0 ECADHO C[NH+]1CCC2(CCN2C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000930957697 611489056 /nfs/dbraw/zinc/48/90/56/611489056.db2.gz NCDAWZYKTIDTFE-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC000946801281 611490645 /nfs/dbraw/zinc/49/06/45/611490645.db2.gz GXFMXUFXVXXTMO-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC000946801281 611490649 /nfs/dbraw/zinc/49/06/49/611490649.db2.gz GXFMXUFXVXXTMO-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCN(C(=O)CC[NH+]2CCC(N3CCCOCC3)CC2)CC1 ZINC000931286735 611528807 /nfs/dbraw/zinc/52/88/07/611528807.db2.gz IDODTVFTXPHZID-UHFFFAOYSA-N 1 3 338.496 0.337 20 0 ECADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000926327316 611535206 /nfs/dbraw/zinc/53/52/06/611535206.db2.gz UVAKNYMMRSVOSJ-HNNXBMFYSA-N 1 3 336.480 0.661 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926335134 611536779 /nfs/dbraw/zinc/53/67/79/611536779.db2.gz QDWZZFCJQRINPT-YJBOKZPZSA-N 1 3 336.480 0.674 20 0 ECADHO CCO[C@H](CNC(=O)N(C)CCCN1CCN(C)CC1)C[NH+](C)C ZINC000926843848 611571635 /nfs/dbraw/zinc/57/16/35/611571635.db2.gz XTRMRHUCXRTFAP-MRXNPFEDSA-N 1 3 343.516 0.232 20 0 ECADHO CCO[C@H](CNC(=O)NC[C@@H]1CCN1C1CCOCC1)C[NH+](C)C ZINC000926849680 611572791 /nfs/dbraw/zinc/57/27/91/611572791.db2.gz FGYHAHVHYBWNCY-JKSUJKDBSA-N 1 3 342.484 0.506 20 0 ECADHO CC[C@@H](C(=O)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC000947522355 611578234 /nfs/dbraw/zinc/57/82/34/611578234.db2.gz JYKCLBNNESBFMR-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)CC[C@H]21 ZINC000927628541 611620200 /nfs/dbraw/zinc/62/02/00/611620200.db2.gz CIMBWPPPAVLUNM-HYVNUMGLSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)CC[C@H]21 ZINC000927628541 611620202 /nfs/dbraw/zinc/62/02/02/611620202.db2.gz CIMBWPPPAVLUNM-HYVNUMGLSA-N 1 3 336.480 0.975 20 0 ECADHO CCO[C@@H](CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C[NH+](C)C ZINC000932463113 611629994 /nfs/dbraw/zinc/62/99/94/611629994.db2.gz AIQXQFCWKUYHCH-AWEZNQCLSA-N 1 3 342.484 0.012 20 0 ECADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000091537333 608629091 /nfs/dbraw/zinc/62/90/91/608629091.db2.gz OJMUTBADGPCNAB-HZSPNIEDSA-N 1 3 325.457 0.011 20 0 ECADHO C[NH+](C)CCOCCN[C@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC000926257039 608775784 /nfs/dbraw/zinc/77/57/84/608775784.db2.gz ZWYFVSXEPMGXHH-CQSZACIVSA-N 1 3 331.457 0.790 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933846478 608777648 /nfs/dbraw/zinc/77/76/48/608777648.db2.gz CNRVZIRZGPHEEG-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933846478 608777652 /nfs/dbraw/zinc/77/76/52/608777652.db2.gz CNRVZIRZGPHEEG-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO O=S1(=O)CCNC[C@@H]1CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925789760 608969614 /nfs/dbraw/zinc/96/96/14/608969614.db2.gz XKPUJXSOPBJQBB-ARFHVFGLSA-N 1 3 329.510 0.521 20 0 ECADHO CCN1CCN(CC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000928097024 611673857 /nfs/dbraw/zinc/67/38/57/611673857.db2.gz ULCNAMVUZFQIOV-HUUCEWRRSA-N 1 3 326.510 0.320 20 0 ECADHO CCN1CCN(CC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000928097024 611673859 /nfs/dbraw/zinc/67/38/59/611673859.db2.gz ULCNAMVUZFQIOV-HUUCEWRRSA-N 1 3 326.510 0.320 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000938321117 609734785 /nfs/dbraw/zinc/73/47/85/609734785.db2.gz REEJSRLCPDCCQG-GJZGRUSLSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(C)CC2CN(C)C2)CCN1c1cc[nH+]cc1 ZINC000910774283 609761711 /nfs/dbraw/zinc/76/17/11/609761711.db2.gz IVSCLVMFIKMLGP-AWEZNQCLSA-N 1 3 345.447 0.139 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000938402579 609779047 /nfs/dbraw/zinc/77/90/47/609779047.db2.gz YFHNFBQKIVYFLH-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000938402579 609779048 /nfs/dbraw/zinc/77/90/48/609779048.db2.gz YFHNFBQKIVYFLH-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N(C)Cc1ccccc1 ZINC000911011006 609794013 /nfs/dbraw/zinc/79/40/13/609794013.db2.gz ZZQZLUAUPBPFCA-GOEBONIOSA-N 1 3 346.475 0.819 20 0 ECADHO CN1CCN(c2ccnc(NC(=O)C3CN(C)CC[N@H+](C)C3)c2)CC1 ZINC000913665553 609808649 /nfs/dbraw/zinc/80/86/49/609808649.db2.gz LBNWPTWBVDTRQC-UHFFFAOYSA-N 1 3 346.479 0.265 20 0 ECADHO CN1CCN(c2ccnc(NC(=O)C3CN(C)CC[N@@H+](C)C3)c2)CC1 ZINC000913665553 609808650 /nfs/dbraw/zinc/80/86/50/609808650.db2.gz LBNWPTWBVDTRQC-UHFFFAOYSA-N 1 3 346.479 0.265 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)C1=CCN(C)CC1 ZINC000911218883 609828034 /nfs/dbraw/zinc/82/80/34/609828034.db2.gz MAWNYKHCSBNRSG-DDUZABMNSA-N 1 3 334.464 0.401 20 0 ECADHO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911222734 609829050 /nfs/dbraw/zinc/82/90/50/609829050.db2.gz HCQYTNOZYOXQEQ-HDMKZQKVSA-N 1 3 334.464 0.235 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000911269559 609834392 /nfs/dbraw/zinc/83/43/92/609834392.db2.gz LRGVHRHUBRMOHE-WCXIOVBPSA-N 1 3 342.443 0.470 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000911269559 609834394 /nfs/dbraw/zinc/83/43/94/609834394.db2.gz LRGVHRHUBRMOHE-WCXIOVBPSA-N 1 3 342.443 0.470 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000911290293 609839713 /nfs/dbraw/zinc/83/97/13/609839713.db2.gz DXQRORLTTOZSLA-HNNXBMFYSA-N 1 3 338.496 0.858 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543738 609851582 /nfs/dbraw/zinc/85/15/82/609851582.db2.gz BASUFKNOYXJQSS-HNNXBMFYSA-N 1 3 334.464 0.237 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC2([NH3+])CC2)c1 ZINC000911505915 609885007 /nfs/dbraw/zinc/88/50/07/609885007.db2.gz VSVYJGSCAWAPSZ-UHFFFAOYSA-N 1 3 348.447 0.193 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911562747 609892840 /nfs/dbraw/zinc/89/28/40/609892840.db2.gz LQNVHASEMHXSRN-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000911557438 609894739 /nfs/dbraw/zinc/89/47/39/609894739.db2.gz OPHUNZKUEYXLNZ-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)c1 ZINC000911560308 609895003 /nfs/dbraw/zinc/89/50/03/609895003.db2.gz NJEVSMKYKLKRRR-QAQDUYKDSA-N 1 3 346.475 0.739 20 0 ECADHO CN(C)CCCN(CCC[NH+](C)C)c1nccc(S(C)(=O)=O)n1 ZINC000911963465 609924677 /nfs/dbraw/zinc/92/46/77/609924677.db2.gz JNYZIHXHZYPCJY-UHFFFAOYSA-N 1 3 343.497 0.590 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000938898274 610023282 /nfs/dbraw/zinc/02/32/82/610023282.db2.gz NVSGOELOODBJGO-OAHLLOKOSA-N 1 3 345.447 0.640 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054808 610074025 /nfs/dbraw/zinc/07/40/25/610074025.db2.gz PLNAKPAIZHPHJQ-CZUORRHYSA-N 1 3 348.495 0.885 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000941687548 610464520 /nfs/dbraw/zinc/46/45/20/610464520.db2.gz BVVIRERRJHIKFH-CABCVRRESA-N 1 3 336.480 0.386 20 0 ECADHO CN(CC(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC000941694472 610467490 /nfs/dbraw/zinc/46/74/90/610467490.db2.gz KCMLNDLDGHIHAN-CQSZACIVSA-N 1 3 334.464 0.284 20 0 ECADHO CN(C)C1(C(=O)N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CCC1 ZINC000941097210 610545879 /nfs/dbraw/zinc/54/58/79/610545879.db2.gz INLIFYUPRUQXJU-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)C1(C(=O)N2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CCC1 ZINC000941097210 610545881 /nfs/dbraw/zinc/54/58/81/610545881.db2.gz INLIFYUPRUQXJU-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000942715339 610580457 /nfs/dbraw/zinc/58/04/57/610580457.db2.gz OAKPIUOCMAPOMO-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000941271327 610626854 /nfs/dbraw/zinc/62/68/54/610626854.db2.gz IGIRBRHEYHJKBG-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CCOC(=O)C1([C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000933886139 611756622 /nfs/dbraw/zinc/75/66/22/611756622.db2.gz JZJAQSVULNMMIY-HUUCEWRRSA-N 1 3 328.453 0.781 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000943705778 610956712 /nfs/dbraw/zinc/95/67/12/610956712.db2.gz OPOIAZVWNWUDHX-RBSFLKMASA-N 1 3 347.463 0.756 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000943705778 610956713 /nfs/dbraw/zinc/95/67/13/610956713.db2.gz OPOIAZVWNWUDHX-RBSFLKMASA-N 1 3 347.463 0.756 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000923282448 611224363 /nfs/dbraw/zinc/22/43/63/611224363.db2.gz WEGQRZGUSCZQFC-XHDPSFHLSA-N 1 3 327.375 0.785 20 0 ECADHO CCOc1ccc(OC[C@@H](O)CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000923285970 611224585 /nfs/dbraw/zinc/22/45/85/611224585.db2.gz KIDOUXVMOUHFTQ-INIZCTEOSA-N 1 3 337.464 0.662 20 0 ECADHO CC(C)OC[C@@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923400386 611238013 /nfs/dbraw/zinc/23/80/13/611238013.db2.gz WOEPUNKFFARQAQ-ZNMIVQPWSA-N 1 3 327.425 0.029 20 0 ECADHO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)N2CCNCC2)c1 ZINC000923592380 611271429 /nfs/dbraw/zinc/27/14/29/611271429.db2.gz VBFTWXCZELCQDU-UHFFFAOYSA-N 1 3 340.493 0.768 20 0 ECADHO O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)N1CCNCC1 ZINC000923627807 611332220 /nfs/dbraw/zinc/33/22/20/611332220.db2.gz SHKZKUOFFGIZHT-UHFFFAOYSA-N 1 3 330.498 0.523 20 0 ECADHO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923672706 611339316 /nfs/dbraw/zinc/33/93/16/611339316.db2.gz XESAHJFSWWFVLN-UHFFFAOYSA-N 1 3 330.498 0.477 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000929503926 611760041 /nfs/dbraw/zinc/76/00/41/611760041.db2.gz COEXXJSIOJGNHH-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000929503926 611760043 /nfs/dbraw/zinc/76/00/43/611760043.db2.gz COEXXJSIOJGNHH-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000934897229 611829742 /nfs/dbraw/zinc/82/97/42/611829742.db2.gz YRACOCRINZIFBB-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000934897229 611829744 /nfs/dbraw/zinc/82/97/44/611829744.db2.gz YRACOCRINZIFBB-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000951926871 612137574 /nfs/dbraw/zinc/13/75/74/612137574.db2.gz XAYNHPBPFAJORX-MRXNPFEDSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000952034251 612192671 /nfs/dbraw/zinc/19/26/71/612192671.db2.gz LDWDDWJFWDHMEN-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000951413607 612214441 /nfs/dbraw/zinc/21/44/41/612214441.db2.gz NRGITXKSEVXKRC-LSDHHAIUSA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000951413607 612214443 /nfs/dbraw/zinc/21/44/43/612214443.db2.gz NRGITXKSEVXKRC-LSDHHAIUSA-N 1 3 347.463 0.710 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000955443885 612590016 /nfs/dbraw/zinc/59/00/16/612590016.db2.gz MHSYRAMMWPBZRK-GOEBONIOSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000955443885 612590020 /nfs/dbraw/zinc/59/00/20/612590020.db2.gz MHSYRAMMWPBZRK-GOEBONIOSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000954841393 612736789 /nfs/dbraw/zinc/73/67/89/612736789.db2.gz XYNIVHAVRHUDEG-CQSZACIVSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000954841393 612736790 /nfs/dbraw/zinc/73/67/90/612736790.db2.gz XYNIVHAVRHUDEG-CQSZACIVSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954847376 612741774 /nfs/dbraw/zinc/74/17/74/612741774.db2.gz UPWJAEILPLSTNQ-AWEZNQCLSA-N 1 3 334.464 0.236 20 0 ECADHO CN(C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954286798 612823633 /nfs/dbraw/zinc/82/36/33/612823633.db2.gz VNXPSQRLPJFQSO-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954286798 612823635 /nfs/dbraw/zinc/82/36/35/612823635.db2.gz VNXPSQRLPJFQSO-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000954319734 612849239 /nfs/dbraw/zinc/84/92/39/612849239.db2.gz DRLQPZVVAPRJKI-WBVHZDCISA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000954319734 612849242 /nfs/dbraw/zinc/84/92/42/612849242.db2.gz DRLQPZVVAPRJKI-WBVHZDCISA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000955012019 612853429 /nfs/dbraw/zinc/85/34/29/612853429.db2.gz ZUYTVMUTKMOYLA-ZDUSSCGKSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000955012019 612853433 /nfs/dbraw/zinc/85/34/33/612853433.db2.gz ZUYTVMUTKMOYLA-ZDUSSCGKSA-N 1 3 333.436 0.353 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000956379254 612863473 /nfs/dbraw/zinc/86/34/73/612863473.db2.gz UEDMDWCZVIBGLR-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000956379254 612863474 /nfs/dbraw/zinc/86/34/74/612863474.db2.gz UEDMDWCZVIBGLR-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncc3c(n2)CCNC3)C1 ZINC001164731748 720508779 /nfs/dbraw/zinc/50/87/79/720508779.db2.gz QLTNSRUXZJFOAL-ZDUSSCGKSA-N 1 3 327.436 0.517 20 0 ECADHO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(N)ncn4)C3)O2)CC1 ZINC001164896160 721430875 /nfs/dbraw/zinc/43/08/75/721430875.db2.gz QSMMLEMDZVMXJR-QAPCUYQASA-N 1 3 346.479 0.824 20 0 ECADHO CN([C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)[C@H]1CCNC1=O ZINC000971872449 735290331 /nfs/dbraw/zinc/29/03/31/735290331.db2.gz PXQLZBGHBQXJMU-ZFWWWQNUSA-N 1 3 327.388 0.369 20 0 ECADHO CC(C)CN1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083236111 735498724 /nfs/dbraw/zinc/49/87/24/735498724.db2.gz MEFZIJIPSJQNMD-DLBZAZTESA-N 1 3 339.480 0.665 20 0 ECADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+][C@@H]2CCN(C)C2=O)CCC1 ZINC001024982317 738457830 /nfs/dbraw/zinc/45/78/30/738457830.db2.gz LNSYNDNHKXEJHB-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC000969135560 731517608 /nfs/dbraw/zinc/51/76/08/731517608.db2.gz BRLSAVSAOUDGNM-AWEZNQCLSA-N 1 3 334.420 0.850 20 0 ECADHO CN(C)C(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC000969135560 731517611 /nfs/dbraw/zinc/51/76/11/731517611.db2.gz BRLSAVSAOUDGNM-AWEZNQCLSA-N 1 3 334.420 0.850 20 0 ECADHO Cc1nc2c([nH]1)C[C@H](C(=O)N1CC[C@@H]([NH2+]CCn3cncn3)C1)CC2 ZINC000969135660 731517656 /nfs/dbraw/zinc/51/76/56/731517656.db2.gz MHWNNZTZWJVKSF-ZIAGYGMSSA-N 1 3 343.435 0.305 20 0 ECADHO Cc1nc2c([nH]1)CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCn3cncn3)C1)C2 ZINC000969135660 731517658 /nfs/dbraw/zinc/51/76/58/731517658.db2.gz MHWNNZTZWJVKSF-ZIAGYGMSSA-N 1 3 343.435 0.305 20 0 ECADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC000969564112 731972110 /nfs/dbraw/zinc/97/21/10/731972110.db2.gz MDDQESWYGXQOLQ-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO CO[C@@H](C)CN1CC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969686328 732047978 /nfs/dbraw/zinc/04/79/78/732047978.db2.gz AOVKXWOVPJWQSB-KBPBESRZSA-N 1 3 337.468 0.530 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001078074363 782254683 /nfs/dbraw/zinc/25/46/83/782254683.db2.gz CEXPOOMKDQYYOC-AWEZNQCLSA-N 1 3 326.485 0.679 20 0 ECADHO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225743 733069239 /nfs/dbraw/zinc/06/92/39/733069239.db2.gz ZJYXRXSBTCKKIH-GJZGRUSLSA-N 1 3 327.469 0.354 20 0 ECADHO CC[C@H](C(=O)NCC1CC([NH2+]CCCS(C)(=O)=O)C1)N(C)C ZINC001100443666 733127904 /nfs/dbraw/zinc/12/79/04/733127904.db2.gz UOXXSAYJLWYIJS-JXQTWKCFSA-N 1 3 333.498 0.246 20 0 ECADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+][C@H]2CCNC2=O)CC1 ZINC001025121723 738687771 /nfs/dbraw/zinc/68/77/71/738687771.db2.gz GFHWQGLHOZQXTN-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(CCc2cnn(C)c2)C1 ZINC000970743573 733899979 /nfs/dbraw/zinc/89/99/79/733899979.db2.gz BEJFWAJBVGRDOI-CQSZACIVSA-N 1 3 331.464 0.495 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001067478271 734322273 /nfs/dbraw/zinc/32/22/73/734322273.db2.gz WXXUFUNBXLSKFC-HZPDHXFCSA-N 1 3 340.512 0.975 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001067478271 734322276 /nfs/dbraw/zinc/32/22/76/734322276.db2.gz WXXUFUNBXLSKFC-HZPDHXFCSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001104346630 734480252 /nfs/dbraw/zinc/48/02/52/734480252.db2.gz FXZFLELKBFAALX-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001104346499 734481431 /nfs/dbraw/zinc/48/14/31/734481431.db2.gz DQXZRVAKGJGHIZ-RBSFLKMASA-N 1 3 347.525 0.445 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001104362866 734722491 /nfs/dbraw/zinc/72/24/91/734722491.db2.gz NPVYATYAGHPFQI-HUUCEWRRSA-N 1 3 340.512 0.879 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COC)C1 ZINC001104363065 734722995 /nfs/dbraw/zinc/72/29/95/734722995.db2.gz XORZGUXTAQSUJP-BZUAXINKSA-N 1 3 343.512 0.798 20 0 ECADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1)C1CCC1 ZINC000971686203 734951243 /nfs/dbraw/zinc/95/12/43/734951243.db2.gz ADZUFLAJNBFGLD-KRWDZBQOSA-N 1 3 333.480 0.980 20 0 ECADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1)C1CCC1 ZINC000971686203 734951246 /nfs/dbraw/zinc/95/12/46/734951246.db2.gz ADZUFLAJNBFGLD-KRWDZBQOSA-N 1 3 333.480 0.980 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971716051 734981878 /nfs/dbraw/zinc/98/18/78/734981878.db2.gz LDPKTFUDSDXYSN-JKSUJKDBSA-N 1 3 334.468 0.685 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971716051 734981881 /nfs/dbraw/zinc/98/18/81/734981881.db2.gz LDPKTFUDSDXYSN-JKSUJKDBSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972189149 735766516 /nfs/dbraw/zinc/76/65/16/735766516.db2.gz MEOIMGNDSOQKAT-UONOGXRCSA-N 1 3 334.420 0.376 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972189149 735766517 /nfs/dbraw/zinc/76/65/17/735766517.db2.gz MEOIMGNDSOQKAT-UONOGXRCSA-N 1 3 334.420 0.376 20 0 ECADHO CO[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378318 736312108 /nfs/dbraw/zinc/31/21/08/736312108.db2.gz LPQVRBBKFADMEU-IXDOHACOSA-N 1 3 341.496 0.695 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001022975744 736348001 /nfs/dbraw/zinc/34/80/01/736348001.db2.gz SXNPXQRSPOEUFG-BNOWGMLFSA-N 1 3 332.452 0.761 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001022975744 736348003 /nfs/dbraw/zinc/34/80/03/736348003.db2.gz SXNPXQRSPOEUFG-BNOWGMLFSA-N 1 3 332.452 0.761 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(CCn3cncn3)C2)CC[N@@H+]1C ZINC001023376936 736753067 /nfs/dbraw/zinc/75/30/67/736753067.db2.gz BWBQFZDVACQNPC-OWCLPIDISA-N 1 3 334.468 0.447 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(CCn3cncn3)C2)CC[N@H+]1C ZINC001023376936 736753070 /nfs/dbraw/zinc/75/30/70/736753070.db2.gz BWBQFZDVACQNPC-OWCLPIDISA-N 1 3 334.468 0.447 20 0 ECADHO O=C(NC[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001023500391 736925657 /nfs/dbraw/zinc/92/56/57/736925657.db2.gz SKJKYKDEACVYOV-VUGNNNGISA-N 1 3 337.464 0.060 20 0 ECADHO O=C(NC[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001023500391 736925663 /nfs/dbraw/zinc/92/56/63/736925663.db2.gz SKJKYKDEACVYOV-VUGNNNGISA-N 1 3 337.464 0.060 20 0 ECADHO O=C(NC[C@@H]1CCCN([C@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703818 737214357 /nfs/dbraw/zinc/21/43/57/737214357.db2.gz VWILTZXQVXWAPJ-GJZGRUSLSA-N 1 3 334.464 0.189 20 0 ECADHO Cn1cnnc1CNC[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001024018212 737623184 /nfs/dbraw/zinc/62/31/84/737623184.db2.gz LRPGIJHUVVNTHW-CJNGLKHVSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CN2CCCC2)CC[N@@H+]1C ZINC001067466710 737630094 /nfs/dbraw/zinc/63/00/94/737630094.db2.gz GDONHJWUTPWWGS-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CN2CCCC2)CC[N@H+]1C ZINC001067466710 737630095 /nfs/dbraw/zinc/63/00/95/737630095.db2.gz GDONHJWUTPWWGS-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001024037954 737651364 /nfs/dbraw/zinc/65/13/64/737651364.db2.gz CYTQLKIAJPPLGB-GOEBONIOSA-N 1 3 336.484 0.966 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024180184 737801715 /nfs/dbraw/zinc/80/17/15/737801715.db2.gz UQNQLBQZECFQII-GDBMZVCRSA-N 1 3 347.463 0.790 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001024180316 737801794 /nfs/dbraw/zinc/80/17/94/737801794.db2.gz VGFYYMDYWULDMS-LSDHHAIUSA-N 1 3 347.463 0.697 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001006460180 751410523 /nfs/dbraw/zinc/41/05/23/751410523.db2.gz ZQURCWVZAIHNNX-BBRMVZONSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000973313012 739089976 /nfs/dbraw/zinc/08/99/76/739089976.db2.gz ZXBWKPLQWFDTOC-MWQQHZPXSA-N 1 3 348.491 0.576 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000973423583 739251868 /nfs/dbraw/zinc/25/18/68/739251868.db2.gz RQAFAGRUKOKFRI-FVQBIDKESA-N 1 3 336.480 0.576 20 0 ECADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114982782 751441324 /nfs/dbraw/zinc/44/13/24/751441324.db2.gz WKYSWHILLXNHAS-VQFNDLOPSA-N 1 3 341.496 0.554 20 0 ECADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114982782 751441326 /nfs/dbraw/zinc/44/13/26/751441326.db2.gz WKYSWHILLXNHAS-VQFNDLOPSA-N 1 3 341.496 0.554 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000973488662 739386835 /nfs/dbraw/zinc/38/68/35/739386835.db2.gz XQDCAYQBSGFIGM-DOERSZECSA-N 1 3 333.436 0.222 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000973488662 739386841 /nfs/dbraw/zinc/38/68/41/739386841.db2.gz XQDCAYQBSGFIGM-DOERSZECSA-N 1 3 333.436 0.222 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781846 739939875 /nfs/dbraw/zinc/93/98/75/739939875.db2.gz SRRRLGIFMNDYFC-NNPSNHGLSA-N 1 3 343.475 0.804 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781846 739939880 /nfs/dbraw/zinc/93/98/80/739939880.db2.gz SRRRLGIFMNDYFC-NNPSNHGLSA-N 1 3 343.475 0.804 20 0 ECADHO COCCc1noc(-c2ccc(NC(=N)NCCCC[NH3+])nc2)n1 ZINC001167879084 751515726 /nfs/dbraw/zinc/51/57/26/751515726.db2.gz XZBXLISRNBZKPZ-UHFFFAOYSA-N 1 3 333.396 0.996 20 0 ECADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001100769568 740320968 /nfs/dbraw/zinc/32/09/68/740320968.db2.gz PZAQAFGOLASOTN-UHFFFAOYSA-N 1 3 326.485 0.727 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099910 740374112 /nfs/dbraw/zinc/37/41/12/740374112.db2.gz LNWOJBRVOCTOQC-UUAJXVIYSA-N 1 3 344.463 0.341 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099910 740374113 /nfs/dbraw/zinc/37/41/13/740374113.db2.gz LNWOJBRVOCTOQC-UUAJXVIYSA-N 1 3 344.463 0.341 20 0 ECADHO Cn1cncc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]12 ZINC001026364084 741061113 /nfs/dbraw/zinc/06/11/13/741061113.db2.gz CAFGRUXIJWIFBF-UHOFOFEASA-N 1 3 328.420 0.713 20 0 ECADHO CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064342 741272817 /nfs/dbraw/zinc/27/28/17/741272817.db2.gz KJRQIBJTEYRTLA-HZPDHXFCSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000974327275 741327442 /nfs/dbraw/zinc/32/74/42/741327442.db2.gz SFEVLFKPUJJUBV-QXSJWSMHSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000974327275 741327444 /nfs/dbraw/zinc/32/74/44/741327444.db2.gz SFEVLFKPUJJUBV-QXSJWSMHSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)[C@H]1CCCN1C ZINC001020456945 751641776 /nfs/dbraw/zinc/64/17/76/751641776.db2.gz WGVZVGZEOKZWAZ-XUWVNRHRSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)[C@H]1CCCN1C ZINC001020456945 751641780 /nfs/dbraw/zinc/64/17/80/751641780.db2.gz WGVZVGZEOKZWAZ-XUWVNRHRSA-N 1 3 336.480 0.528 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CCN2CCCC2=O)C3)C1 ZINC000982150369 751656571 /nfs/dbraw/zinc/65/65/71/751656571.db2.gz CXIYCNMEMJTYDA-MRXNPFEDSA-N 1 3 348.491 0.485 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CCN2CCCC2=O)C3)C1 ZINC000982150369 751656574 /nfs/dbraw/zinc/65/65/74/751656574.db2.gz CXIYCNMEMJTYDA-MRXNPFEDSA-N 1 3 348.491 0.485 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327164 741812664 /nfs/dbraw/zinc/81/26/64/741812664.db2.gz URRASCAJQBLKTH-CQSZACIVSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327164 741812669 /nfs/dbraw/zinc/81/26/69/741812669.db2.gz URRASCAJQBLKTH-CQSZACIVSA-N 1 3 334.468 0.749 20 0 ECADHO CCc1nnc(CNC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1C ZINC001026887889 742044408 /nfs/dbraw/zinc/04/44/08/742044408.db2.gz XFMFSFHFIUQKPH-GUYCJALGSA-N 1 3 348.495 0.656 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC001026887949 742045013 /nfs/dbraw/zinc/04/50/13/742045013.db2.gz YOFDYQKFNBIPNY-BBRMVZONSA-N 1 3 347.463 0.764 20 0 ECADHO CN(CC(=O)N1CC[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1)C1CCC1 ZINC001026888222 742046195 /nfs/dbraw/zinc/04/61/95/742046195.db2.gz AYAXFQJXMHSPQO-GDBMZVCRSA-N 1 3 346.479 0.688 20 0 ECADHO O=C(c1ccn2cncc2c1)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001026941275 742148354 /nfs/dbraw/zinc/14/83/54/742148354.db2.gz DVTJKLYOQQQFKQ-GFCCVEGCSA-N 1 3 326.360 0.969 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)on1 ZINC001027065189 742436087 /nfs/dbraw/zinc/43/60/87/742436087.db2.gz SIQLPDZLFFCKLK-KBPBESRZSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)on1 ZINC001027065189 742436090 /nfs/dbraw/zinc/43/60/90/742436090.db2.gz SIQLPDZLFFCKLK-KBPBESRZSA-N 1 3 336.436 0.963 20 0 ECADHO CC(C)(C)N1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091148 742524083 /nfs/dbraw/zinc/52/40/83/742524083.db2.gz FEYMDPVJKZFYIG-HIFRSBDPSA-N 1 3 347.463 0.790 20 0 ECADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1=O ZINC000996997721 743109940 /nfs/dbraw/zinc/10/99/40/743109940.db2.gz FYJIIYDMHDTCFN-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC(=O)N3CCCC3)CC2)C1 ZINC000997007044 743120973 /nfs/dbraw/zinc/12/09/73/743120973.db2.gz OCRUUJPZNFGCTO-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001020586733 751843608 /nfs/dbraw/zinc/84/36/08/751843608.db2.gz XOYZDZGATTVGQH-AJNGGQMLSA-N 1 3 343.493 0.142 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001020588667 751849979 /nfs/dbraw/zinc/84/99/79/751849979.db2.gz JAIIWXKCRCRGRG-QEJZJMRPSA-N 1 3 333.436 0.564 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001020588667 751849989 /nfs/dbraw/zinc/84/99/89/751849989.db2.gz JAIIWXKCRCRGRG-QEJZJMRPSA-N 1 3 333.436 0.564 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020590063 751854588 /nfs/dbraw/zinc/85/45/88/751854588.db2.gz LHPSSMXENVAMNL-MRHIQRDNSA-N 1 3 340.443 0.324 20 0 ECADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001020591887 751860074 /nfs/dbraw/zinc/86/00/74/751860074.db2.gz WBNMKXIGFQMKQQ-KKUMJFAQSA-N 1 3 336.480 0.576 20 0 ECADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000997855827 743853723 /nfs/dbraw/zinc/85/37/23/743853723.db2.gz QDXXUBYXOZXEBH-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000998081293 743966656 /nfs/dbraw/zinc/96/66/56/743966656.db2.gz INKOFDFXWHIOSE-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+][C@@H]3CCN(C)C3=O)CC2)C1 ZINC000998082468 743967686 /nfs/dbraw/zinc/96/76/86/743967686.db2.gz PRLBJQPDHDTOOH-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC000976534661 744060591 /nfs/dbraw/zinc/06/05/91/744060591.db2.gz BBKKVMHZAAJTRN-AALSBFMBSA-N 1 3 336.480 0.097 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000976534661 744060594 /nfs/dbraw/zinc/06/05/94/744060594.db2.gz BBKKVMHZAAJTRN-AALSBFMBSA-N 1 3 336.480 0.097 20 0 ECADHO Cn1ccnc1CNCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998223597 744060746 /nfs/dbraw/zinc/06/07/46/744060746.db2.gz SVPNYPDRENFBRG-UHFFFAOYSA-N 1 3 331.464 0.844 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000998558471 744226612 /nfs/dbraw/zinc/22/66/12/744226612.db2.gz XOYQTYVNPMLZBF-GPANFISMSA-N 1 3 332.448 0.559 20 0 ECADHO O=C(CN1CCCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000976854908 744403358 /nfs/dbraw/zinc/40/33/58/744403358.db2.gz SJEMSDCSWJTHJL-QLPKVWCKSA-N 1 3 346.475 0.284 20 0 ECADHO CCn1nncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC000998995901 744456648 /nfs/dbraw/zinc/45/66/48/744456648.db2.gz VXELNKWQHQXXAI-ZBCRRDGASA-N 1 3 334.468 0.861 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000999407990 744681304 /nfs/dbraw/zinc/68/13/04/744681304.db2.gz YYVDKIGPNFPIAT-OOHWJJMZSA-N 1 3 346.475 0.949 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1 ZINC000977196623 744748480 /nfs/dbraw/zinc/74/84/80/744748480.db2.gz NQQCQTCNYKEJIV-RMWBKXBUSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1 ZINC000977196623 744748482 /nfs/dbraw/zinc/74/84/82/744748482.db2.gz NQQCQTCNYKEJIV-RMWBKXBUSA-N 1 3 348.491 0.386 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001020675698 751960278 /nfs/dbraw/zinc/96/02/78/751960278.db2.gz BIJYYMYZGASJOS-YHUYYLMFSA-N 1 3 336.480 0.717 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999875739 744983619 /nfs/dbraw/zinc/98/36/19/744983619.db2.gz AKEIKSFDRKBYHV-ZBCRRDGASA-N 1 3 334.468 0.769 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999875739 744983627 /nfs/dbraw/zinc/98/36/27/744983627.db2.gz AKEIKSFDRKBYHV-ZBCRRDGASA-N 1 3 334.468 0.769 20 0 ECADHO CN(C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000988387329 751977076 /nfs/dbraw/zinc/97/70/76/751977076.db2.gz GSVPSCBQEHTIKR-KGLIPLIRSA-N 1 3 333.436 0.211 20 0 ECADHO CN(C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000988387329 751977082 /nfs/dbraw/zinc/97/70/82/751977082.db2.gz GSVPSCBQEHTIKR-KGLIPLIRSA-N 1 3 333.436 0.211 20 0 ECADHO Cn1nccc1CCN1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977599724 745280968 /nfs/dbraw/zinc/28/09/68/745280968.db2.gz MRAVPFXRXPZYEA-HOCLYGCPSA-N 1 3 333.480 0.741 20 0 ECADHO Cn1nccc1CCN1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977599724 745280974 /nfs/dbraw/zinc/28/09/74/745280974.db2.gz MRAVPFXRXPZYEA-HOCLYGCPSA-N 1 3 333.480 0.741 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001000183350 745319383 /nfs/dbraw/zinc/31/93/83/745319383.db2.gz IULJTLNEKNWMGL-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)C1(N(C)C)CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000977771018 745475144 /nfs/dbraw/zinc/47/51/44/745475144.db2.gz JZGMJOPJZHDITJ-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)C1(N(C)C)CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977771018 745475148 /nfs/dbraw/zinc/47/51/48/745475148.db2.gz JZGMJOPJZHDITJ-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO O=C(NC[C@@H]1CCCN1C[C@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001028268450 752014001 /nfs/dbraw/zinc/01/40/01/752014001.db2.gz STIFSNVAOIFYQP-LSDHHAIUSA-N 1 3 344.463 0.442 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)CC[N@@H+]1C ZINC001075808807 745832335 /nfs/dbraw/zinc/83/23/35/745832335.db2.gz CYGQKCPEUGWSIY-QKPAOTATSA-N 1 3 332.452 0.151 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)CC[N@H+]1C ZINC001075808807 745832339 /nfs/dbraw/zinc/83/23/39/745832339.db2.gz CYGQKCPEUGWSIY-QKPAOTATSA-N 1 3 332.452 0.151 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+][C@H]3CCNC3=O)C2)c1 ZINC001000991040 745956876 /nfs/dbraw/zinc/95/68/76/745956876.db2.gz HSTJSWRWYQTYPT-IRXDYDNUSA-N 1 3 344.459 0.831 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)c2occc2CN(C)C)CC1 ZINC001001091244 746065688 /nfs/dbraw/zinc/06/56/88/746065688.db2.gz CKWPXGRAKSVWCJ-HNNXBMFYSA-N 1 3 348.447 0.967 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)c2occc2CN(C)C)CC1 ZINC001001091244 746065693 /nfs/dbraw/zinc/06/56/93/746065693.db2.gz CKWPXGRAKSVWCJ-HNNXBMFYSA-N 1 3 348.447 0.967 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000984408984 746409082 /nfs/dbraw/zinc/40/90/82/746409082.db2.gz RUUCVLHCEIHEAL-HOCLYGCPSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000984408984 746409084 /nfs/dbraw/zinc/40/90/84/746409084.db2.gz RUUCVLHCEIHEAL-HOCLYGCPSA-N 1 3 347.463 0.743 20 0 ECADHO O=C(NCC1CCN([C@H]2CCCNC2=O)CC1)C12CCC[NH+]1CCC2 ZINC001001582873 746512801 /nfs/dbraw/zinc/51/28/01/746512801.db2.gz PHODSMRNZJAAHK-INIZCTEOSA-N 1 3 348.491 0.722 20 0 ECADHO CC[C@@H](C(=O)N1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC001001883628 746783686 /nfs/dbraw/zinc/78/36/86/746783686.db2.gz HPRRPVWGBJTNEL-JKSUJKDBSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC001001883628 746783688 /nfs/dbraw/zinc/78/36/88/746783688.db2.gz HPRRPVWGBJTNEL-JKSUJKDBSA-N 1 3 338.496 0.774 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)n1 ZINC000984810713 746967317 /nfs/dbraw/zinc/96/73/17/746967317.db2.gz XVAUIYJWTPFHGW-RRCSTGOVSA-N 1 3 347.463 0.667 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)n1 ZINC000984810713 746967323 /nfs/dbraw/zinc/96/73/23/746967323.db2.gz XVAUIYJWTPFHGW-RRCSTGOVSA-N 1 3 347.463 0.667 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979054551 747095315 /nfs/dbraw/zinc/09/53/15/747095315.db2.gz VPRJRMLYHHQBFF-DZUCGIPZSA-N 1 3 331.464 0.474 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979054551 747095323 /nfs/dbraw/zinc/09/53/23/747095323.db2.gz VPRJRMLYHHQBFF-DZUCGIPZSA-N 1 3 331.464 0.474 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002242716 747119085 /nfs/dbraw/zinc/11/90/85/747119085.db2.gz MDZSWTSDZYZZLB-IIAWOOMASA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002242716 747119091 /nfs/dbraw/zinc/11/90/91/747119091.db2.gz MDZSWTSDZYZZLB-IIAWOOMASA-N 1 3 336.480 0.386 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000985031276 747288661 /nfs/dbraw/zinc/28/86/61/747288661.db2.gz IKJASXHPUYPZGX-DZKIICNBSA-N 1 3 347.463 0.811 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985031276 747288665 /nfs/dbraw/zinc/28/86/65/747288665.db2.gz IKJASXHPUYPZGX-DZKIICNBSA-N 1 3 347.463 0.811 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088106392 747392261 /nfs/dbraw/zinc/39/22/61/747392261.db2.gz YJQDXQAYSIJDRP-ZACQAIPSSA-N 1 3 346.479 0.543 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088106392 747392268 /nfs/dbraw/zinc/39/22/68/747392268.db2.gz YJQDXQAYSIJDRP-ZACQAIPSSA-N 1 3 346.479 0.543 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC000985147516 747466147 /nfs/dbraw/zinc/46/61/47/747466147.db2.gz BJNZPYGFWQJTPT-DJIMGWMZSA-N 1 3 344.459 0.735 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC000985155363 747480717 /nfs/dbraw/zinc/48/07/17/747480717.db2.gz XZBMRMIBQVYULE-IIAWOOMASA-N 1 3 334.468 0.674 20 0 ECADHO C[C@H]([NH2+]CC1CCOCC1)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC000979405754 747752344 /nfs/dbraw/zinc/75/23/44/747752344.db2.gz NZABMDYSWLDTPP-XJKSGUPXSA-N 1 3 336.436 0.584 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001029755614 748263610 /nfs/dbraw/zinc/26/36/10/748263610.db2.gz NBLNMTRREYZTCM-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)[C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001029755614 748263615 /nfs/dbraw/zinc/26/36/15/748263615.db2.gz NBLNMTRREYZTCM-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@H+](C)CCN2CCNC2=O)CC1)N(C)C ZINC000985497094 748301393 /nfs/dbraw/zinc/30/13/93/748301393.db2.gz RSZQCMNUOPVJJO-OAHLLOKOSA-N 1 3 339.484 0.275 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CCN2CCNC2=O)CC1)N(C)C ZINC000985497094 748301400 /nfs/dbraw/zinc/30/14/00/748301400.db2.gz RSZQCMNUOPVJJO-OAHLLOKOSA-N 1 3 339.484 0.275 20 0 ECADHO CC[C@H](C(N)=O)N1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003251259 748344695 /nfs/dbraw/zinc/34/46/95/748344695.db2.gz VFYRNWFIZSGDKZ-OAHLLOKOSA-N 1 3 329.404 0.792 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1)N(C)C ZINC000985635601 748772048 /nfs/dbraw/zinc/77/20/48/748772048.db2.gz BNSUYPHAGOKHDI-JKSUJKDBSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1)N(C)C ZINC000985635601 748772051 /nfs/dbraw/zinc/77/20/51/748772051.db2.gz BNSUYPHAGOKHDI-JKSUJKDBSA-N 1 3 338.496 0.774 20 0 ECADHO NC(=O)CN[C@@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001088333230 748773604 /nfs/dbraw/zinc/77/36/04/748773604.db2.gz FAPHQIOTHVTGNW-OAHLLOKOSA-N 1 3 336.480 0.709 20 0 ECADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001088334391 748789445 /nfs/dbraw/zinc/78/94/45/748789445.db2.gz HCNDKAUHRWTXKS-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000985655273 748816250 /nfs/dbraw/zinc/81/62/50/748816250.db2.gz HTRAJBVSDSILGA-KBPBESRZSA-N 1 3 338.452 0.055 20 0 ECADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000985655273 748816255 /nfs/dbraw/zinc/81/62/55/748816255.db2.gz HTRAJBVSDSILGA-KBPBESRZSA-N 1 3 338.452 0.055 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000980065918 748894474 /nfs/dbraw/zinc/89/44/74/748894474.db2.gz NXPUXIWHXJSRNQ-JYJNAYRXSA-N 1 3 348.491 0.435 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001088390171 749010228 /nfs/dbraw/zinc/01/02/28/749010228.db2.gz HLNODQVKLQJLER-HNNXBMFYSA-N 1 3 347.463 0.935 20 0 ECADHO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2cnccc2N(C)C)CC1 ZINC001003984011 749107062 /nfs/dbraw/zinc/10/70/62/749107062.db2.gz YMUAQQIZMHLMMC-CQSZACIVSA-N 1 3 333.436 0.606 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccn(C)c(=O)c2)CC[N@@H+]1C ZINC001027891800 749165192 /nfs/dbraw/zinc/16/51/92/749165192.db2.gz HZCNJMLWBWGXKT-DJIMGWMZSA-N 1 3 346.475 0.806 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccn(C)c(=O)c2)CC[N@H+]1C ZINC001027891800 749165196 /nfs/dbraw/zinc/16/51/96/749165196.db2.gz HZCNJMLWBWGXKT-DJIMGWMZSA-N 1 3 346.475 0.806 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001004444541 749506384 /nfs/dbraw/zinc/50/63/84/749506384.db2.gz SQBDRWAEUGZWGW-XJKSGUPXSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001004444541 749506389 /nfs/dbraw/zinc/50/63/89/749506389.db2.gz SQBDRWAEUGZWGW-XJKSGUPXSA-N 1 3 336.480 0.243 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000980550728 749738841 /nfs/dbraw/zinc/73/88/41/749738841.db2.gz UFLOWOCPVVBQSY-MXAVVETBSA-N 1 3 347.463 0.469 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000980550728 749738844 /nfs/dbraw/zinc/73/88/44/749738844.db2.gz UFLOWOCPVVBQSY-MXAVVETBSA-N 1 3 347.463 0.469 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000980550729 749738931 /nfs/dbraw/zinc/73/89/31/749738931.db2.gz UFLOWOCPVVBQSY-NGFQHRJXSA-N 1 3 347.463 0.469 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000980550729 749738934 /nfs/dbraw/zinc/73/89/34/749738934.db2.gz UFLOWOCPVVBQSY-NGFQHRJXSA-N 1 3 347.463 0.469 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)N(C)C ZINC001112531497 749799108 /nfs/dbraw/zinc/79/91/08/749799108.db2.gz AHQIHYDUTAQNBV-BQFCYCMXSA-N 1 3 341.496 0.554 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCCC2(CNCC(=O)Nc3ccon3)CC2)C1 ZINC001168147396 749857900 /nfs/dbraw/zinc/85/79/00/749857900.db2.gz RSFBGCXEIDNQQA-CYBMUJFWSA-N 1 3 349.435 0.441 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCCC2(CNCC(=O)Nc3ccon3)CC2)C1 ZINC001168147396 749857906 /nfs/dbraw/zinc/85/79/06/749857906.db2.gz RSFBGCXEIDNQQA-CYBMUJFWSA-N 1 3 349.435 0.441 20 0 ECADHO CCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206611 750071619 /nfs/dbraw/zinc/07/16/19/750071619.db2.gz XEWPBDIYYSEGGG-JHJVBQTASA-N 1 3 337.386 0.954 20 0 ECADHO CCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206611 750071627 /nfs/dbraw/zinc/07/16/27/750071627.db2.gz XEWPBDIYYSEGGG-JHJVBQTASA-N 1 3 337.386 0.954 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)NCC(C)C)CC1 ZINC001167836303 750514792 /nfs/dbraw/zinc/51/47/92/750514792.db2.gz SLBWJGPEFKDBGL-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO Cc1ncc(CN[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)cn1 ZINC000987361244 750754774 /nfs/dbraw/zinc/75/47/74/750754774.db2.gz ZCIFUOUDVMZHSP-BBRMVZONSA-N 1 3 329.448 0.960 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001059799968 750820004 /nfs/dbraw/zinc/82/00/04/750820004.db2.gz HRZSWABGEBQFPT-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)CN1CCCC1 ZINC000987518532 750926135 /nfs/dbraw/zinc/92/61/35/750926135.db2.gz LIDVHJISYQZEFM-GOEBONIOSA-N 1 3 332.448 0.560 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)n1 ZINC000987523464 750941945 /nfs/dbraw/zinc/94/19/45/750941945.db2.gz JPQYZLXVAKLISZ-XJKSGUPXSA-N 1 3 334.468 0.570 20 0 ECADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006335148 751256747 /nfs/dbraw/zinc/25/67/47/751256747.db2.gz DGFQTFCHZQMXNU-GFCCVEGCSA-N 1 3 333.436 0.257 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCCN(CCCF)C2)n1 ZINC001007359139 752326524 /nfs/dbraw/zinc/32/65/24/752326524.db2.gz AEWGNQNFGWBQLG-AWEZNQCLSA-N 1 3 325.432 0.999 20 0 ECADHO CO[C@H](C)CN1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360610 752327592 /nfs/dbraw/zinc/32/75/92/752327592.db2.gz SHZKHDJLIYAVHQ-CABCVRRESA-N 1 3 337.468 0.674 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001020928096 752348728 /nfs/dbraw/zinc/34/87/28/752348728.db2.gz VIFZQXQVNXKMGG-KKUMJFAQSA-N 1 3 334.468 0.685 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020928096 752348738 /nfs/dbraw/zinc/34/87/38/752348738.db2.gz VIFZQXQVNXKMGG-KKUMJFAQSA-N 1 3 334.468 0.685 20 0 ECADHO Cc1noc(CCCN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001028315146 752360521 /nfs/dbraw/zinc/36/05/21/752360521.db2.gz HOCQLYIBKOUWLG-LSDHHAIUSA-N 1 3 335.452 0.843 20 0 ECADHO Cc1noc(CCCN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001028315146 752360529 /nfs/dbraw/zinc/36/05/29/752360529.db2.gz HOCQLYIBKOUWLG-LSDHHAIUSA-N 1 3 335.452 0.843 20 0 ECADHO Cc1noc(CCCN2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001028315142 752360736 /nfs/dbraw/zinc/36/07/36/752360736.db2.gz HOCQLYIBKOUWLG-GJZGRUSLSA-N 1 3 335.452 0.843 20 0 ECADHO Cc1noc(CCCN2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001028315142 752360744 /nfs/dbraw/zinc/36/07/44/752360744.db2.gz HOCQLYIBKOUWLG-GJZGRUSLSA-N 1 3 335.452 0.843 20 0 ECADHO CN1CCN(Cc2cccc(-c3noc([C@H]4C[NH2+]C[C@@H]4N)n3)c2)CC1 ZINC001211755358 752529476 /nfs/dbraw/zinc/52/94/76/752529476.db2.gz JDVVTGUHDSOODA-HOTGVXAUSA-N 1 3 342.447 0.498 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C)N(C)C ZINC000988775532 752784499 /nfs/dbraw/zinc/78/44/99/752784499.db2.gz MXKHFIZGNBKDIA-VNQPRFMTSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1)N(C)C ZINC000982561598 752908294 /nfs/dbraw/zinc/90/82/94/752908294.db2.gz VOXOIEINRXXSQX-IHETXDGRSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1)N(C)C ZINC000982561598 752908299 /nfs/dbraw/zinc/90/82/99/752908299.db2.gz VOXOIEINRXXSQX-IHETXDGRSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H](C)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372486 753671524 /nfs/dbraw/zinc/67/15/24/753671524.db2.gz JRBZDLJXBJQGDR-ZIAGYGMSSA-N 1 3 334.468 0.749 20 0 ECADHO CC[C@@H](C)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372486 753671527 /nfs/dbraw/zinc/67/15/27/753671527.db2.gz JRBZDLJXBJQGDR-ZIAGYGMSSA-N 1 3 334.468 0.749 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(C[C@H](O)Cn3cccn3)C2)CC1 ZINC001008398786 753698076 /nfs/dbraw/zinc/69/80/76/753698076.db2.gz JARWCPVUPCDDGA-IRXDYDNUSA-N 1 3 349.479 0.166 20 0 ECADHO CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCN3C)[C@@H](O)C2)c1 ZINC001083368671 753705430 /nfs/dbraw/zinc/70/54/30/753705430.db2.gz TYUIMGDGWUYXQN-KURKYZTESA-N 1 3 346.475 0.508 20 0 ECADHO CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCN3C)[C@@H](O)C2)c1 ZINC001083368671 753705433 /nfs/dbraw/zinc/70/54/33/753705433.db2.gz TYUIMGDGWUYXQN-KURKYZTESA-N 1 3 346.475 0.508 20 0 ECADHO C[C@@H]1C[C@H](NCC(=O)N2CCCC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989380538 753743431 /nfs/dbraw/zinc/74/34/31/753743431.db2.gz NZGOXIBFUNBUCW-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449405 753944474 /nfs/dbraw/zinc/94/44/74/753944474.db2.gz GXRHJRITPBQALD-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1nc(CN[C@@H]2C[C@@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)n[nH]1 ZINC000989519306 754072774 /nfs/dbraw/zinc/07/27/74/754072774.db2.gz LJUUNSJZCGOZGV-IUODEOHRSA-N 1 3 334.468 0.924 20 0 ECADHO Cc1nc(CN[C@H]2C[C@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)n[nH]1 ZINC000989519308 754073533 /nfs/dbraw/zinc/07/35/33/754073533.db2.gz LJUUNSJZCGOZGV-WFASDCNBSA-N 1 3 334.468 0.924 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000982924725 754212199 /nfs/dbraw/zinc/21/21/99/754212199.db2.gz GEUASQXPENTIOL-GDBMZVCRSA-N 1 3 338.496 0.633 20 0 ECADHO Cc1nn(C)cc1CN[C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989685052 754304618 /nfs/dbraw/zinc/30/46/18/754304618.db2.gz YCGAQIDJOFLCRV-CZUORRHYSA-N 1 3 331.464 0.903 20 0 ECADHO Cc1nn(C)cc1CN[C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989685050 754304629 /nfs/dbraw/zinc/30/46/29/754304629.db2.gz YCGAQIDJOFLCRV-BBRMVZONSA-N 1 3 331.464 0.903 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000925324616 754346261 /nfs/dbraw/zinc/34/62/61/754346261.db2.gz VSTHPXWJGPUPOD-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000925324616 754346268 /nfs/dbraw/zinc/34/62/68/754346268.db2.gz VSTHPXWJGPUPOD-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC001168345263 754762917 /nfs/dbraw/zinc/76/29/17/754762917.db2.gz MKPVYOHZDWCEFI-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990279054 754936276 /nfs/dbraw/zinc/93/62/76/754936276.db2.gz UVGGUAKNRUSMKB-OAHLLOKOSA-N 1 3 334.468 0.781 20 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ZINC000990792660 755914945 /nfs/dbraw/zinc/91/49/45/755914945.db2.gz UUBNOMLAJPQUEQ-XLMAVXFVSA-N 1 3 346.479 0.732 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(CCn2cncn2)CC3)CC[N@H+]1C ZINC000990792660 755914949 /nfs/dbraw/zinc/91/49/49/755914949.db2.gz UUBNOMLAJPQUEQ-XLMAVXFVSA-N 1 3 346.479 0.732 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)CC1 ZINC001076203854 756209574 /nfs/dbraw/zinc/20/95/74/756209574.db2.gz GUOPCBHPELBUJN-JKSUJKDBSA-N 1 3 332.452 0.153 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001076628605 756749800 /nfs/dbraw/zinc/74/98/00/756749800.db2.gz UYEFAZINYGIUIJ-GOEBONIOSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001076658214 756798008 /nfs/dbraw/zinc/79/80/08/756798008.db2.gz MELDOUJFQNMCFX-HOCLYGCPSA-N 1 3 338.496 0.679 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001011137873 757007240 /nfs/dbraw/zinc/00/72/40/757007240.db2.gz DYXDYIOLDBDUAO-GOEBONIOSA-N 1 3 345.447 0.497 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001011137873 757007251 /nfs/dbraw/zinc/00/72/51/757007251.db2.gz DYXDYIOLDBDUAO-GOEBONIOSA-N 1 3 345.447 0.497 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001011137871 757008241 /nfs/dbraw/zinc/00/82/41/757008241.db2.gz DYXDYIOLDBDUAO-GDBMZVCRSA-N 1 3 345.447 0.497 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001011137871 757008249 /nfs/dbraw/zinc/00/82/49/757008249.db2.gz DYXDYIOLDBDUAO-GDBMZVCRSA-N 1 3 345.447 0.497 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011159894 757066343 /nfs/dbraw/zinc/06/63/43/757066343.db2.gz HZCIFVWBKCSHGM-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001011159894 757066352 /nfs/dbraw/zinc/06/63/52/757066352.db2.gz HZCIFVWBKCSHGM-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001011162970 757083155 /nfs/dbraw/zinc/08/31/55/757083155.db2.gz YXYFSQKIFDIACD-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001011162970 757083161 /nfs/dbraw/zinc/08/31/61/757083161.db2.gz YXYFSQKIFDIACD-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001048814881 757083453 /nfs/dbraw/zinc/08/34/53/757083453.db2.gz FGGCRDPDHLZDDM-CAOSSQGBSA-N 1 3 336.480 0.384 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001048814881 757083456 /nfs/dbraw/zinc/08/34/56/757083456.db2.gz FGGCRDPDHLZDDM-CAOSSQGBSA-N 1 3 336.480 0.384 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001048823610 757111738 /nfs/dbraw/zinc/11/17/38/757111738.db2.gz GETVAVRLUHQFEQ-SIXLDLHFSA-N 1 3 348.491 0.195 20 0 ECADHO CN1CC[C@H](N[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)C1=O ZINC000996222678 757137894 /nfs/dbraw/zinc/13/78/94/757137894.db2.gz ORECWCCYCTZJMK-GJZGRUSLSA-N 1 3 336.480 0.386 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@H]3C2)C1=O ZINC001048862948 757216705 /nfs/dbraw/zinc/21/67/05/757216705.db2.gz BQRUBSQDQNQXKG-YVSFHVDLSA-N 1 3 348.491 0.338 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@H]3C2)C1=O ZINC001048862948 757216714 /nfs/dbraw/zinc/21/67/14/757216714.db2.gz BQRUBSQDQNQXKG-YVSFHVDLSA-N 1 3 348.491 0.338 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2C1)C1CC1 ZINC001048864049 757218304 /nfs/dbraw/zinc/21/83/04/757218304.db2.gz RKXXDXOFAXRVJD-JZXOWHBKSA-N 1 3 345.491 0.693 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2C1)C1CC1 ZINC001048864049 757218315 /nfs/dbraw/zinc/21/83/15/757218315.db2.gz RKXXDXOFAXRVJD-JZXOWHBKSA-N 1 3 345.491 0.693 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001048918601 757408821 /nfs/dbraw/zinc/40/88/21/757408821.db2.gz KNEVPKORNSZBKN-OAGGEKHMSA-N 1 3 348.491 0.482 20 0 ECADHO Cn1cc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)cn1 ZINC000996355889 757458735 /nfs/dbraw/zinc/45/87/35/757458735.db2.gz OLZOBSFBCWYRCP-HNNXBMFYSA-N 1 3 330.436 0.755 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001011329585 757532889 /nfs/dbraw/zinc/53/28/89/757532889.db2.gz SRYZHTLREGFFRH-HNNXBMFYSA-N 1 3 336.480 0.341 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)cc1 ZINC000996415130 757591746 /nfs/dbraw/zinc/59/17/46/757591746.db2.gz SKSOMTGIIIEYPE-OAHLLOKOSA-N 1 3 332.448 0.674 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001076924559 757612258 /nfs/dbraw/zinc/61/22/58/757612258.db2.gz SKHRHZXDQVZNQZ-HOCLYGCPSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001076925301 757617601 /nfs/dbraw/zinc/61/76/01/757617601.db2.gz CYRAJNNGRIKWNR-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001076925301 757617609 /nfs/dbraw/zinc/61/76/09/757617609.db2.gz CYRAJNNGRIKWNR-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1 ZINC001049057338 757805785 /nfs/dbraw/zinc/80/57/85/757805785.db2.gz OJVGGCGSROOZAP-NXOAAHMSSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1 ZINC001049057338 757805804 /nfs/dbraw/zinc/80/58/04/757805804.db2.gz OJVGGCGSROOZAP-NXOAAHMSSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049059048 757818060 /nfs/dbraw/zinc/81/80/60/757818060.db2.gz LTJVLUINEVLSBQ-YHUYYLMFSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049059048 757818074 /nfs/dbraw/zinc/81/80/74/757818074.db2.gz LTJVLUINEVLSBQ-YHUYYLMFSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059048 757818087 /nfs/dbraw/zinc/81/80/87/757818087.db2.gz LTJVLUINEVLSBQ-YHUYYLMFSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059048 757818095 /nfs/dbraw/zinc/81/80/95/757818095.db2.gz LTJVLUINEVLSBQ-YHUYYLMFSA-N 1 3 336.480 0.195 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@@H]2C1 ZINC001049060141 757829845 /nfs/dbraw/zinc/82/98/45/757829845.db2.gz NEXYRECKDKXZLA-VIBAHUMZSA-N 1 3 345.491 0.816 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@@H]2C1 ZINC001049060141 757829857 /nfs/dbraw/zinc/82/98/57/757829857.db2.gz NEXYRECKDKXZLA-VIBAHUMZSA-N 1 3 345.491 0.816 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+]CC3CCOCC3)C2)CCC1 ZINC001051651781 762591737 /nfs/dbraw/zinc/59/17/37/762591737.db2.gz MULSXJMVBJLPNN-MRXNPFEDSA-N 1 3 339.480 0.714 20 0 ECADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)CC1 ZINC001049132159 758072276 /nfs/dbraw/zinc/07/22/76/758072276.db2.gz OPQYYDXZBNTSHO-BBWFWOEESA-N 1 3 348.491 0.339 20 0 ECADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)CC1 ZINC001049132159 758072291 /nfs/dbraw/zinc/07/22/91/758072291.db2.gz OPQYYDXZBNTSHO-BBWFWOEESA-N 1 3 348.491 0.339 20 0 ECADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)CC1 ZINC001049132160 758072332 /nfs/dbraw/zinc/07/23/32/758072332.db2.gz OPQYYDXZBNTSHO-IXDOHACOSA-N 1 3 348.491 0.339 20 0 ECADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)CC1 ZINC001049132160 758072342 /nfs/dbraw/zinc/07/23/42/758072342.db2.gz OPQYYDXZBNTSHO-IXDOHACOSA-N 1 3 348.491 0.339 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001051654403 762602649 /nfs/dbraw/zinc/60/26/49/762602649.db2.gz MPTOHHOQUSQRPX-INIZCTEOSA-N 1 3 349.479 0.530 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CCO1 ZINC001051655305 762606178 /nfs/dbraw/zinc/60/61/78/762606178.db2.gz ZQLAPXHUSYXKGF-SJORKVTESA-N 1 3 349.479 0.386 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011643690 758196205 /nfs/dbraw/zinc/19/62/05/758196205.db2.gz OSMJCQOUOHCFCP-ZBFHGGJFSA-N 1 3 347.463 0.743 20 0 ECADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996623268 758269311 /nfs/dbraw/zinc/26/93/11/758269311.db2.gz WLBVYDBEKHFRMD-SJORKVTESA-N 1 3 347.463 0.327 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccc(F)cn2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022120118 758303099 /nfs/dbraw/zinc/30/30/99/758303099.db2.gz KUXNZISANBZCLJ-VVLHAWIVSA-N 1 3 348.422 0.821 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccc(F)cn2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001022120118 758303112 /nfs/dbraw/zinc/30/31/12/758303112.db2.gz KUXNZISANBZCLJ-VVLHAWIVSA-N 1 3 348.422 0.821 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121201 758307666 /nfs/dbraw/zinc/30/76/66/758307666.db2.gz ZYKWTBSZJGIZFS-JYYAWHABSA-N 1 3 348.447 0.837 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022121201 758307673 /nfs/dbraw/zinc/30/76/73/758307673.db2.gz ZYKWTBSZJGIZFS-JYYAWHABSA-N 1 3 348.447 0.837 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049233996 758398553 /nfs/dbraw/zinc/39/85/53/758398553.db2.gz URUVHSQGRHZUCL-TWMKSMIVSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049233996 758398559 /nfs/dbraw/zinc/39/85/59/758398559.db2.gz URUVHSQGRHZUCL-TWMKSMIVSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049233999 758399256 /nfs/dbraw/zinc/39/92/56/758399256.db2.gz URUVHSQGRHZUCL-YYIAUSFCSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049233999 758399267 /nfs/dbraw/zinc/39/92/67/758399267.db2.gz URUVHSQGRHZUCL-YYIAUSFCSA-N 1 3 348.491 0.482 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2CCn1cncn1)[NH+](C)C ZINC001049533302 758878568 /nfs/dbraw/zinc/87/85/68/758878568.db2.gz NBWYEMFFAJFIGM-IKGGRYGDSA-N 1 3 348.495 0.930 20 0 ECADHO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001077366435 758916026 /nfs/dbraw/zinc/91/60/26/758916026.db2.gz HQGTULKSFIQSLB-APHBMKBZSA-N 1 3 345.403 0.077 20 0 ECADHO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001077366435 758916028 /nfs/dbraw/zinc/91/60/28/758916028.db2.gz HQGTULKSFIQSLB-APHBMKBZSA-N 1 3 345.403 0.077 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001022712225 759025986 /nfs/dbraw/zinc/02/59/86/759025986.db2.gz MVRUPHWTDFRIOZ-AEGPPILISA-N 1 3 333.436 0.706 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001022712225 759025995 /nfs/dbraw/zinc/02/59/95/759025995.db2.gz MVRUPHWTDFRIOZ-AEGPPILISA-N 1 3 333.436 0.706 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001022712683 759028630 /nfs/dbraw/zinc/02/86/30/759028630.db2.gz XOYZDZGATTVGQH-ZQDZILKHSA-N 1 3 343.493 0.142 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001022721446 759045590 /nfs/dbraw/zinc/04/55/90/759045590.db2.gz XFCIXDHGRHLOTQ-SPWCGHHHSA-N 1 3 333.436 0.420 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001022721446 759045600 /nfs/dbraw/zinc/04/56/00/759045600.db2.gz XFCIXDHGRHLOTQ-SPWCGHHHSA-N 1 3 333.436 0.420 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001022807797 759129971 /nfs/dbraw/zinc/12/99/71/759129971.db2.gz NKVUIEWRBSELEM-QXSJWSMHSA-N 1 3 336.480 0.765 20 0 ECADHO Cc1nnc(CN[C@H](C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001047960374 759750193 /nfs/dbraw/zinc/75/01/93/759750193.db2.gz SKFXEYFWCKRLGD-DOMZBBRYSA-N 1 3 334.468 0.782 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001050222836 759970926 /nfs/dbraw/zinc/97/09/26/759970926.db2.gz NBMRAUBLUHYBAJ-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@@H](CC[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001050235555 760017887 /nfs/dbraw/zinc/01/78/87/760017887.db2.gz NQKUCMYOFHYEDN-HUUCEWRRSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNCc1nncn1C ZINC001048397416 760437240 /nfs/dbraw/zinc/43/72/40/760437240.db2.gz QGIPDYGAPLCVRT-GOEBONIOSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNCc1cn(C)nn1 ZINC001048396432 760437285 /nfs/dbraw/zinc/43/72/85/760437285.db2.gz MIADOGKNARXVGZ-GDBMZVCRSA-N 1 3 348.495 0.731 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2)C1CC1 ZINC001050547173 760470446 /nfs/dbraw/zinc/47/04/46/760470446.db2.gz XAZFSSCTRLFKIV-HZPDHXFCSA-N 1 3 348.491 0.530 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2O)C1 ZINC001083782973 760492247 /nfs/dbraw/zinc/49/22/47/760492247.db2.gz VBHVGEHVNQHTIM-XHSDSOJGSA-N 1 3 339.480 0.449 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)C1 ZINC001083782973 760492254 /nfs/dbraw/zinc/49/22/54/760492254.db2.gz VBHVGEHVNQHTIM-XHSDSOJGSA-N 1 3 339.480 0.449 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCC[C@@H]1C ZINC001127061301 760617612 /nfs/dbraw/zinc/61/76/12/760617612.db2.gz PJCWGARTCYHFGS-HOTGVXAUSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCC[C@@H]1C ZINC001127061301 760617616 /nfs/dbraw/zinc/61/76/16/760617616.db2.gz PJCWGARTCYHFGS-HOTGVXAUSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCC[C@H]1C ZINC001127061302 760617800 /nfs/dbraw/zinc/61/78/00/760617800.db2.gz PJCWGARTCYHFGS-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCC[C@H]1C ZINC001127061302 760617807 /nfs/dbraw/zinc/61/78/07/760617807.db2.gz PJCWGARTCYHFGS-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995868177 760698829 /nfs/dbraw/zinc/69/88/29/760698829.db2.gz BALOXBPFANJNGT-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048570822 760731857 /nfs/dbraw/zinc/73/18/57/760731857.db2.gz WZIQQSUJMFBGMQ-KSWRQPAISA-N 1 3 348.491 0.848 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048570822 760731866 /nfs/dbraw/zinc/73/18/66/760731866.db2.gz WZIQQSUJMFBGMQ-KSWRQPAISA-N 1 3 348.491 0.848 20 0 ECADHO CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(=O)N1CCC1 ZINC000995994447 760918043 /nfs/dbraw/zinc/91/80/43/760918043.db2.gz DMKZYKZPWWRAKT-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1)C1CCC1 ZINC000991446764 760985168 /nfs/dbraw/zinc/98/51/68/760985168.db2.gz PHKWPDWOBHPFTO-UHFFFAOYSA-N 1 3 336.480 0.530 20 0 ECADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127081840 761007884 /nfs/dbraw/zinc/00/78/84/761007884.db2.gz DIHXTZBNYRHGFZ-GJZGRUSLSA-N 1 3 342.484 0.106 20 0 ECADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127081840 761007893 /nfs/dbraw/zinc/00/78/93/761007893.db2.gz DIHXTZBNYRHGFZ-GJZGRUSLSA-N 1 3 342.484 0.106 20 0 ECADHO CC1(C)CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CCF ZINC000996072810 761012179 /nfs/dbraw/zinc/01/21/79/761012179.db2.gz RLCYSVGFOKGSIE-DLOXAQCQSA-N 1 3 325.428 0.646 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991478287 761132391 /nfs/dbraw/zinc/13/23/91/761132391.db2.gz KINQFWXKSRMRMO-HOTGVXAUSA-N 1 3 338.496 0.772 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000991478287 761132394 /nfs/dbraw/zinc/13/23/94/761132394.db2.gz KINQFWXKSRMRMO-HOTGVXAUSA-N 1 3 338.496 0.772 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000991478220 761132477 /nfs/dbraw/zinc/13/24/77/761132477.db2.gz JYEGPLUKLCNRQB-GOEBONIOSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991478220 761132481 /nfs/dbraw/zinc/13/24/81/761132481.db2.gz JYEGPLUKLCNRQB-GOEBONIOSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106281974 768065802 /nfs/dbraw/zinc/06/58/02/768065802.db2.gz NMWUERWQUNVMFW-KFWWJZLASA-N 1 3 347.525 0.301 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001105944919 762996200 /nfs/dbraw/zinc/99/62/00/762996200.db2.gz DPDXIYOJVINUKO-MGPQQGTHSA-N 1 3 349.435 0.391 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO2)cn1 ZINC001051807286 763013815 /nfs/dbraw/zinc/01/38/15/763013815.db2.gz PPVXQHFWSAVBDA-DLBZAZTESA-N 1 3 349.479 0.688 20 0 ECADHO CC[C@H](C[NH+]1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)OC ZINC001031857100 763090200 /nfs/dbraw/zinc/09/02/00/763090200.db2.gz QAYJSSGYIZOICS-WKPSDNRBSA-N 1 3 337.464 0.323 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001051857392 763126732 /nfs/dbraw/zinc/12/67/32/763126732.db2.gz HGYFLLZPAGSLEC-QGZVFWFLSA-N 1 3 349.479 0.469 20 0 ECADHO CNC(=O)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089850082 763178683 /nfs/dbraw/zinc/17/86/83/763178683.db2.gz LVDHDTDAXICJSU-YVSFHVDLSA-N 1 3 348.491 0.243 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@@](C)(C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001046903089 763350804 /nfs/dbraw/zinc/35/08/04/763350804.db2.gz OAFSVAUPSSUCRU-KSSFIOAISA-N 1 3 336.480 0.435 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000940526144 763388903 /nfs/dbraw/zinc/38/89/03/763388903.db2.gz QRYJVHATYQNCLZ-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000940526144 763388912 /nfs/dbraw/zinc/38/89/12/763388912.db2.gz QRYJVHATYQNCLZ-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO CNC(=O)c1ccc(CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001127685195 763413737 /nfs/dbraw/zinc/41/37/37/763413737.db2.gz HIIHBONBIZCWKX-CZUORRHYSA-N 1 3 332.448 0.592 20 0 ECADHO CNC(=O)c1ccc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001127685195 763413745 /nfs/dbraw/zinc/41/37/45/763413745.db2.gz HIIHBONBIZCWKX-CZUORRHYSA-N 1 3 332.448 0.592 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001127690558 763539794 /nfs/dbraw/zinc/53/97/94/763539794.db2.gz OFZMYPBKJWLXSM-WDEREUQCSA-N 1 3 338.374 0.101 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001127690558 763539800 /nfs/dbraw/zinc/53/98/00/763539800.db2.gz OFZMYPBKJWLXSM-WDEREUQCSA-N 1 3 338.374 0.101 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2ccc(C(N)=O)cc2)CC[N@@H+]1C ZINC001127690727 763548273 /nfs/dbraw/zinc/54/82/73/763548273.db2.gz RUZXTBAZXWHESQ-JKSUJKDBSA-N 1 3 332.448 0.722 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2ccc(C(N)=O)cc2)CC[N@H+]1C ZINC001127690727 763548278 /nfs/dbraw/zinc/54/82/78/763548278.db2.gz RUZXTBAZXWHESQ-JKSUJKDBSA-N 1 3 332.448 0.722 20 0 ECADHO CC(C)(C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1)N1CCCCC1 ZINC001127322178 768146819 /nfs/dbraw/zinc/14/68/19/768146819.db2.gz NECVMFRJMDQNTB-HNNXBMFYSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127327536 768187546 /nfs/dbraw/zinc/18/75/46/768187546.db2.gz ONLDZNZOGFXUGY-MRXNPFEDSA-N 1 3 343.512 0.990 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1ccn(C)c(=O)c1 ZINC001088983453 764698942 /nfs/dbraw/zinc/69/89/42/764698942.db2.gz YCXCBFSENHKOAK-ZBFHGGJFSA-N 1 3 344.459 0.560 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619885 764863576 /nfs/dbraw/zinc/86/35/76/764863576.db2.gz KAORAPYXXTWQGE-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C[C@@H](C)O)CC1 ZINC001052986397 765462387 /nfs/dbraw/zinc/46/23/87/765462387.db2.gz LWVKLAFHKOXCDK-SRABZTEZSA-N 1 3 339.480 0.542 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001053290877 765919258 /nfs/dbraw/zinc/91/92/58/765919258.db2.gz WRWXQHIUSCICTG-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001053291041 765919356 /nfs/dbraw/zinc/91/93/56/765919356.db2.gz YFZHBDHUHNCHCX-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN1CCC[C@@H]1C ZINC001077507306 765960175 /nfs/dbraw/zinc/96/01/75/765960175.db2.gz CZFHRPCQOKVXPQ-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H](C1CC1)N(C)C ZINC001077507789 765981655 /nfs/dbraw/zinc/98/16/55/765981655.db2.gz XKNNMHYEFOYXDH-DZGCQCFKSA-N 1 3 336.480 0.433 20 0 ECADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001053355285 766019898 /nfs/dbraw/zinc/01/98/98/766019898.db2.gz FQGDIRFIPJOGAN-GJZGRUSLSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CNCc1cn(C)nn1 ZINC001106898598 766345588 /nfs/dbraw/zinc/34/55/88/766345588.db2.gz JZAPFYFMUOTQET-HUUCEWRRSA-N 1 3 336.484 0.731 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001031660070 766377597 /nfs/dbraw/zinc/37/75/97/766377597.db2.gz CXDROPNUORPVMR-IAGOWNOFSA-N 1 3 349.479 0.165 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001031660070 766377605 /nfs/dbraw/zinc/37/76/05/766377605.db2.gz CXDROPNUORPVMR-IAGOWNOFSA-N 1 3 349.479 0.165 20 0 ECADHO Cc1ncc(CNCCNC(=O)c2ccn(CC[NH+](C)C)n2)s1 ZINC001127558118 766609445 /nfs/dbraw/zinc/60/94/45/766609445.db2.gz DLDCUGYBSNEUPA-UHFFFAOYSA-N 1 3 336.465 0.729 20 0 ECADHO CC[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](CCCF)C2)CC1)N(C)C ZINC001046063574 766839128 /nfs/dbraw/zinc/83/91/28/766839128.db2.gz RMRQLHGKAJLQKR-HOTGVXAUSA-N 1 3 328.476 0.905 20 0 ECADHO CC[C@@H](C(=O)N1CCN([C@H]2CC[N@@H+](CCCF)C2)CC1)N(C)C ZINC001046063574 766839136 /nfs/dbraw/zinc/83/91/36/766839136.db2.gz RMRQLHGKAJLQKR-HOTGVXAUSA-N 1 3 328.476 0.905 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046065906 766850464 /nfs/dbraw/zinc/85/04/64/766850464.db2.gz GAKWQHRXTFIMOU-RDJZCZTQSA-N 1 3 347.463 0.207 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046065906 766850474 /nfs/dbraw/zinc/85/04/74/766850474.db2.gz GAKWQHRXTFIMOU-RDJZCZTQSA-N 1 3 347.463 0.207 20 0 ECADHO CC(C)CNCc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780075 767026905 /nfs/dbraw/zinc/02/69/05/767026905.db2.gz QIUZMURRWGUZAZ-GOEBONIOSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)CNCc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780075 767026913 /nfs/dbraw/zinc/02/69/13/767026913.db2.gz QIUZMURRWGUZAZ-GOEBONIOSA-N 1 3 334.468 0.749 20 0 ECADHO CN(CC(=O)N1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC000938717814 767086847 /nfs/dbraw/zinc/08/68/47/767086847.db2.gz WPAJAQAHKFUZLE-INIZCTEOSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)CN2CCC[C@@H]2C)C1)[NH+](C)C ZINC000938821777 767121450 /nfs/dbraw/zinc/12/14/50/767121450.db2.gz VOVGXONITPRFDC-ZOBUZTSGSA-N 1 3 338.496 0.774 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(CC)C2=O)[C@H](C)C1 ZINC001106910625 767148911 /nfs/dbraw/zinc/14/89/11/767148911.db2.gz GZCLNLUIHKKQHD-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO CCCCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780173 767257646 /nfs/dbraw/zinc/25/76/46/767257646.db2.gz RJKOYJLGSKFHPW-GDBMZVCRSA-N 1 3 334.468 0.893 20 0 ECADHO CCCCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780173 767257649 /nfs/dbraw/zinc/25/76/49/767257649.db2.gz RJKOYJLGSKFHPW-GDBMZVCRSA-N 1 3 334.468 0.893 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@]2(C)CCN(C[C@H]3CCc4ncnn43)C2)CC1 ZINC001046596573 767350324 /nfs/dbraw/zinc/35/03/24/767350324.db2.gz ZTUAQRJDGIOABM-CRAIPNDOSA-N 1 3 346.479 0.688 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463790 767475688 /nfs/dbraw/zinc/47/56/88/767475688.db2.gz GGJBIJZEFWTAMV-KGLIPLIRSA-N 1 3 333.436 0.259 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463790 767475692 /nfs/dbraw/zinc/47/56/92/767475692.db2.gz GGJBIJZEFWTAMV-KGLIPLIRSA-N 1 3 333.436 0.259 20 0 ECADHO Cn1cnnc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]21 ZINC000992909456 767780095 /nfs/dbraw/zinc/78/00/95/767780095.db2.gz QTTFOQOIFICAKX-OWCLPIDISA-N 1 3 346.479 0.628 20 0 ECADHO C[C@@H](NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1nncn1C ZINC001106594340 768477255 /nfs/dbraw/zinc/47/72/55/768477255.db2.gz QEYOLAFOAFVDJW-RBSFLKMASA-N 1 3 348.495 0.902 20 0 ECADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665399 768578269 /nfs/dbraw/zinc/57/82/69/768578269.db2.gz VBLLLVLMQCNGMW-IXDOHACOSA-N 1 3 341.496 0.818 20 0 ECADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106673003 768587909 /nfs/dbraw/zinc/58/79/09/768587909.db2.gz OQRXHPIZCROKHB-QLFBSQMISA-N 1 3 340.512 0.783 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106704786 768693337 /nfs/dbraw/zinc/69/33/37/768693337.db2.gz CQBKKVWVKYETFY-ZIAGYGMSSA-N 1 3 333.436 0.259 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055344880 768802045 /nfs/dbraw/zinc/80/20/45/768802045.db2.gz HGKNUFWDULMZEG-HRCADAONSA-N 1 3 336.480 0.197 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055344880 768802053 /nfs/dbraw/zinc/80/20/53/768802053.db2.gz HGKNUFWDULMZEG-HRCADAONSA-N 1 3 336.480 0.197 20 0 ECADHO CN(CC(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1)C1CCC1 ZINC001055376686 768833141 /nfs/dbraw/zinc/83/31/41/768833141.db2.gz XBFXMBKKCDSOLZ-GASCZTMLSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779782 768937569 /nfs/dbraw/zinc/93/75/69/768937569.db2.gz VZFZVXJTSRZVHN-OWCLPIDISA-N 1 3 340.512 0.927 20 0 ECADHO CNC(=O)c1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001018628948 769681157 /nfs/dbraw/zinc/68/11/57/769681157.db2.gz UPJZCKFSZXXISA-IRXDYDNUSA-N 1 3 344.459 0.831 20 0 ECADHO O=C(CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCCC1 ZINC001018854871 770104458 /nfs/dbraw/zinc/10/44/58/770104458.db2.gz OBMGXGUGKUODSJ-JKSUJKDBSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCn1cccn1 ZINC000994250815 770433338 /nfs/dbraw/zinc/43/33/38/770433338.db2.gz JGCFWWBEWIHXHW-HOTGVXAUSA-N 1 3 331.464 0.948 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001078397561 782867605 /nfs/dbraw/zinc/86/76/05/782867605.db2.gz ZEXNPKYKJXZRQL-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001078397561 782867613 /nfs/dbraw/zinc/86/76/13/782867613.db2.gz ZEXNPKYKJXZRQL-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C2)C1CC1 ZINC001019107873 770801561 /nfs/dbraw/zinc/80/15/61/770801561.db2.gz AEZLSYAENCOJQN-JKSUJKDBSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2)C1CC1 ZINC001019107873 770801576 /nfs/dbraw/zinc/80/15/76/770801576.db2.gz AEZLSYAENCOJQN-JKSUJKDBSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)C1(C(=O)N2CCCO[C@@H](C[NH2+]C[C@@H]3CCOC3)C2)CCC1 ZINC001078411026 782893773 /nfs/dbraw/zinc/89/37/73/782893773.db2.gz CLWPJVBGASCXAJ-HOTGVXAUSA-N 1 3 339.480 0.714 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001019343030 771185689 /nfs/dbraw/zinc/18/56/89/771185689.db2.gz UYVOMSUXACMCQL-YQQAZPJKSA-N 1 3 338.496 0.679 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)cc1 ZINC001019518633 771400945 /nfs/dbraw/zinc/40/09/45/771400945.db2.gz WPZXLOBFIKHYNG-DLBZAZTESA-N 1 3 344.459 0.831 20 0 ECADHO CC1(C)C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN([C@H]2CCNC2=O)C1 ZINC001089539815 771421654 /nfs/dbraw/zinc/42/16/54/771421654.db2.gz OFVOOZKSWFCTDH-GJZGRUSLSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC001019776136 771784675 /nfs/dbraw/zinc/78/46/75/771784675.db2.gz YGRJMIRYZKAFSK-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC001020161447 772230589 /nfs/dbraw/zinc/23/05/89/772230589.db2.gz CQSYVYSUPKZUAY-ZOBUZTSGSA-N 1 3 329.448 0.864 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179019 772249926 /nfs/dbraw/zinc/24/99/26/772249926.db2.gz LDFPNVPAQJYADA-FPCVCCKLSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020179019 772249928 /nfs/dbraw/zinc/24/99/28/772249928.db2.gz LDFPNVPAQJYADA-FPCVCCKLSA-N 1 3 334.420 0.583 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccccn2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020178893 772250074 /nfs/dbraw/zinc/25/00/74/772250074.db2.gz IDNIKYHEDYKBCN-QBPKDAKJSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccccn2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001020178893 772250076 /nfs/dbraw/zinc/25/00/76/772250076.db2.gz IDNIKYHEDYKBCN-QBPKDAKJSA-N 1 3 330.432 0.682 20 0 ECADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001078468254 783007212 /nfs/dbraw/zinc/00/72/12/783007212.db2.gz BFOUUWADTSXVFP-HOTGVXAUSA-N 1 3 337.468 0.467 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@]12C[C@H]1COC2 ZINC001020317157 772437657 /nfs/dbraw/zinc/43/76/57/772437657.db2.gz AEJWVPGEVFJGJZ-OWCBBSPXSA-N 1 3 335.448 0.470 20 0 ECADHO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1)N1CCOCC1 ZINC001020316771 772437911 /nfs/dbraw/zinc/43/79/11/772437911.db2.gz RYPRWRAJMAXMPW-RFBLXINOSA-N 1 3 335.448 0.518 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001040638785 783154586 /nfs/dbraw/zinc/15/45/86/783154586.db2.gz QUMJTLJRGRKKHT-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCCN(C)C2=O)CCC1 ZINC001045068145 774926745 /nfs/dbraw/zinc/92/67/45/774926745.db2.gz IULWHAUEEPNZBQ-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001045089053 774959004 /nfs/dbraw/zinc/95/90/04/774959004.db2.gz YXHDSXNBENOIHB-HNNXBMFYSA-N 1 3 346.479 0.772 20 0 ECADHO COC[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717434 776754080 /nfs/dbraw/zinc/75/40/80/776754080.db2.gz ILYRNRLJNZMBTM-IJEWVQPXSA-N 1 3 337.468 0.530 20 0 ECADHO C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726510 776767800 /nfs/dbraw/zinc/76/78/00/776767800.db2.gz ZOJVVQALGBXNFE-MUIFIZLQSA-N 1 3 346.475 0.662 20 0 ECADHO C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726510 776767805 /nfs/dbraw/zinc/76/78/05/776767805.db2.gz ZOJVVQALGBXNFE-MUIFIZLQSA-N 1 3 346.475 0.662 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079808392 776914942 /nfs/dbraw/zinc/91/49/42/776914942.db2.gz PJJWTSWQYYRWJM-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079808392 776914947 /nfs/dbraw/zinc/91/49/47/776914947.db2.gz PJJWTSWQYYRWJM-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079816481 776930296 /nfs/dbraw/zinc/93/02/96/776930296.db2.gz HNQBFEQTCRKUKM-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)[C@H](C2CC2)[NH+](C)C)C1)N(C)C ZINC001079945584 777125674 /nfs/dbraw/zinc/12/56/74/777125674.db2.gz QDSLQELAWGVCFC-CVEARBPZSA-N 1 3 338.496 0.726 20 0 ECADHO CCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070075734 790521480 /nfs/dbraw/zinc/52/14/80/790521480.db2.gz CCALYFNGACAISW-OAGGEKHMSA-N 1 3 334.468 0.762 20 0 ECADHO CCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070075734 790521482 /nfs/dbraw/zinc/52/14/82/790521482.db2.gz CCALYFNGACAISW-OAGGEKHMSA-N 1 3 334.468 0.762 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070076147 790522517 /nfs/dbraw/zinc/52/25/17/790522517.db2.gz JHBYZZUKJPDBID-BBWFWOEESA-N 1 3 346.479 0.762 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070076147 790522523 /nfs/dbraw/zinc/52/25/23/790522523.db2.gz JHBYZZUKJPDBID-BBWFWOEESA-N 1 3 346.479 0.762 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001080192032 777530345 /nfs/dbraw/zinc/53/03/45/777530345.db2.gz GTTMDHFJOUMCGO-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080378855 777768500 /nfs/dbraw/zinc/76/85/00/777768500.db2.gz ATKPWBHYALLQGD-HNNXBMFYSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1CC(N(CC)C(=O)CC[NH+](C)C)C1 ZINC001080444184 777866192 /nfs/dbraw/zinc/86/61/92/777866192.db2.gz FEDDCADPZDEWNF-UHFFFAOYSA-N 1 3 326.485 0.728 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001080557957 778025219 /nfs/dbraw/zinc/02/52/19/778025219.db2.gz IWEKUVUBTCHDPZ-GOEBONIOSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001080557957 778025230 /nfs/dbraw/zinc/02/52/30/778025230.db2.gz IWEKUVUBTCHDPZ-GOEBONIOSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C1CN(C(=O)CN2CCCC2)C1 ZINC001080557874 778026437 /nfs/dbraw/zinc/02/64/37/778026437.db2.gz GUEZDZCAJBFBOJ-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO CCN(C(=O)C[N@H+]1CCC[C@@H]1C)C1CN(C(=O)CN2CCCC2)C1 ZINC001080557874 778026451 /nfs/dbraw/zinc/02/64/51/778026451.db2.gz GUEZDZCAJBFBOJ-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001078478816 779947200 /nfs/dbraw/zinc/94/72/00/779947200.db2.gz MJUPQIMVYBIUBO-MRXNPFEDSA-N 1 3 336.436 0.586 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001040849672 783557200 /nfs/dbraw/zinc/55/72/00/783557200.db2.gz SUBCDRVYFMWOGV-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001040849672 783557205 /nfs/dbraw/zinc/55/72/05/783557205.db2.gz SUBCDRVYFMWOGV-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CCN2CC[C@@H]2CCOC2)n1 ZINC001038256595 784071033 /nfs/dbraw/zinc/07/10/33/784071033.db2.gz DCPRGOKDGQYWOG-HZPDHXFCSA-N 1 3 349.479 0.675 20 0 ECADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070754313 784653621 /nfs/dbraw/zinc/65/36/21/784653621.db2.gz FKCWGNOYVRGGPE-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070754313 784653623 /nfs/dbraw/zinc/65/36/23/784653623.db2.gz FKCWGNOYVRGGPE-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599323 786741679 /nfs/dbraw/zinc/74/16/79/786741679.db2.gz BBGLXGDAXKQEDF-HZPDHXFCSA-N 1 3 327.469 0.713 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599323 786741683 /nfs/dbraw/zinc/74/16/83/786741683.db2.gz BBGLXGDAXKQEDF-HZPDHXFCSA-N 1 3 327.469 0.713 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(CCOC)CCCO2)C1 ZINC001073741776 787099438 /nfs/dbraw/zinc/09/94/38/787099438.db2.gz XCCJNMINVSKGRC-IAGOWNOFSA-N 1 3 341.496 0.962 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(CCOC)CCCO2)C1 ZINC001073741776 787099442 /nfs/dbraw/zinc/09/94/42/787099442.db2.gz XCCJNMINVSKGRC-IAGOWNOFSA-N 1 3 341.496 0.962 20 0 ECADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)n[nH]1 ZINC001074654866 787515933 /nfs/dbraw/zinc/51/59/33/787515933.db2.gz HVMSBIWITGKRDJ-GLQYFDAESA-N 1 3 332.452 0.534 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001074018763 787690475 /nfs/dbraw/zinc/69/04/75/787690475.db2.gz GFCVRBQGVRKVLS-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001072678974 788577765 /nfs/dbraw/zinc/57/77/65/788577765.db2.gz BQFCMFAWJVQTSC-CABCVRRESA-N 1 3 340.512 0.879 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001075005067 788712979 /nfs/dbraw/zinc/71/29/79/788712979.db2.gz YPRNWDYZDLNVTN-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)[C@@H]2C)CC1 ZINC001075009651 788716919 /nfs/dbraw/zinc/71/69/19/788716919.db2.gz AMLWCOQYWVRGMP-BPUTZDHNSA-N 1 3 336.480 0.574 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCc1cnn(C)c1)C2)C1CC1 ZINC001072814442 788872119 /nfs/dbraw/zinc/87/21/19/788872119.db2.gz FEYLAVGJWIVEGV-KRWDZBQOSA-N 1 3 345.491 0.837 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCc1cnn(C)c1)C2)C1CC1 ZINC001072814442 788872131 /nfs/dbraw/zinc/87/21/31/788872131.db2.gz FEYLAVGJWIVEGV-KRWDZBQOSA-N 1 3 345.491 0.837 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001075090689 788891530 /nfs/dbraw/zinc/89/15/30/788891530.db2.gz JULVEZVIWCADQG-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C)C(N)=O ZINC001075127325 788943895 /nfs/dbraw/zinc/94/38/95/788943895.db2.gz ANZHWYLBLNSULL-WWGRRREGSA-N 1 3 332.448 0.815 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCc1ccnn1C)C2)N(C)C ZINC001072850978 788960397 /nfs/dbraw/zinc/96/03/97/788960397.db2.gz GQHKWIIASWYUNL-MRXNPFEDSA-N 1 3 333.480 0.837 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCc1ccnn1C)C2)N(C)C ZINC001072850978 788960403 /nfs/dbraw/zinc/96/04/03/788960403.db2.gz GQHKWIIASWYUNL-MRXNPFEDSA-N 1 3 333.480 0.837 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCc3ncnn31)C2)N(C)C ZINC001072851367 788962733 /nfs/dbraw/zinc/96/27/33/788962733.db2.gz SKSXPIKWESWEHJ-LSDHHAIUSA-N 1 3 346.479 0.640 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCc3ncnn31)C2)N(C)C ZINC001072851367 788962737 /nfs/dbraw/zinc/96/27/37/788962737.db2.gz SKSXPIKWESWEHJ-LSDHHAIUSA-N 1 3 346.479 0.640 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001075169999 789018639 /nfs/dbraw/zinc/01/86/39/789018639.db2.gz PPAHFNOHCDSDOX-LDDOYCOJSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001073240958 789647103 /nfs/dbraw/zinc/64/71/03/789647103.db2.gz UMTZTYLHHUTNTH-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO C[NH+](C)CCC(=O)N1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001069779227 790028079 /nfs/dbraw/zinc/02/80/79/790028079.db2.gz ARGACJBOXIGDPH-GOSISDBHSA-N 1 3 347.463 0.745 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001067713106 792170983 /nfs/dbraw/zinc/17/09/83/792170983.db2.gz FSFMGSYMWRJGKG-JKSUJKDBSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001067713106 792170989 /nfs/dbraw/zinc/17/09/89/792170989.db2.gz FSFMGSYMWRJGKG-JKSUJKDBSA-N 1 3 340.512 0.975 20 0 ECADHO CN(CCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)Cc1c[nH]cn1 ZINC001067834665 792344495 /nfs/dbraw/zinc/34/44/95/792344495.db2.gz PTLNLUDXMTTWCF-UHFFFAOYSA-N 1 3 333.436 0.355 20 0 ECADHO CN(CCNCC(=O)NCc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001267422085 837393774 /nfs/dbraw/zinc/39/37/74/837393774.db2.gz CNKUGFBMRIOWJW-UHFFFAOYSA-N 1 3 346.475 0.693 20 0 ECADHO CNC(=O)c1cccc(CNCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001267429088 837398923 /nfs/dbraw/zinc/39/89/23/837398923.db2.gz NXLDMZIJBBWERA-HNNXBMFYSA-N 1 3 346.475 0.936 20 0 ECADHO CNC(=O)c1cccc(CNCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001267429088 837398937 /nfs/dbraw/zinc/39/89/37/837398937.db2.gz NXLDMZIJBBWERA-HNNXBMFYSA-N 1 3 346.475 0.936 20 0 ECADHO Cc1cnc(C[NH2+]CCN(C)C(=O)[C@@H](C)CN2CCOCC2)cn1 ZINC001267470279 837485738 /nfs/dbraw/zinc/48/57/38/837485738.db2.gz YTAMEPUMYLZSMR-AWEZNQCLSA-N 1 3 335.452 0.301 20 0 ECADHO COCCCN1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001266297940 835648721 /nfs/dbraw/zinc/64/87/21/835648721.db2.gz YPADEKCCBLNCLE-INIZCTEOSA-N 1 3 326.485 0.099 20 0 ECADHO COCCCN1CCN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001266297940 835648727 /nfs/dbraw/zinc/64/87/27/835648727.db2.gz YPADEKCCBLNCLE-INIZCTEOSA-N 1 3 326.485 0.099 20 0 ECADHO Cn1ccc(CN2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)cc1=O ZINC001266353217 835754753 /nfs/dbraw/zinc/75/47/53/835754753.db2.gz RBEVJDUHLRYGEM-MRXNPFEDSA-N 1 3 334.464 0.808 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001266732064 836211956 /nfs/dbraw/zinc/21/19/56/836211956.db2.gz APSNZLMFWVKSER-XOUADPBQSA-N 1 3 336.480 0.622 20 0 ECADHO CN(CCNCC(=O)N(C)CC1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001266854496 836387717 /nfs/dbraw/zinc/38/77/17/836387717.db2.gz QRCPLTGIZCUYQG-UHFFFAOYSA-N 1 3 338.496 0.635 20 0 ECADHO CCS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267025391 836644720 /nfs/dbraw/zinc/64/47/20/836644720.db2.gz WDTJHCJIDRAJAJ-AWEZNQCLSA-N 1 3 331.482 0.098 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001267375182 837283098 /nfs/dbraw/zinc/28/30/98/837283098.db2.gz YDHMKOOOYWWKSI-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N2CCCCC2)CC[N@H+]1C ZINC001267375182 837283106 /nfs/dbraw/zinc/28/31/06/837283106.db2.gz YDHMKOOOYWWKSI-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCOCCO)C1 ZINC001267597708 837904606 /nfs/dbraw/zinc/90/46/06/837904606.db2.gz ZPZXYVYHXFFQHM-IRXDYDNUSA-N 1 3 341.496 0.650 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCOCCO)C1 ZINC001267597708 837904617 /nfs/dbraw/zinc/90/46/17/837904617.db2.gz ZPZXYVYHXFFQHM-IRXDYDNUSA-N 1 3 341.496 0.650 20 0 ECADHO CC[C@@H](C(=O)N(CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001408748626 838248303 /nfs/dbraw/zinc/24/83/03/838248303.db2.gz IIZJAJJBHDWPKA-KFWWJZLASA-N 1 3 326.485 0.632 20 0 ECADHO CC[C@@H](C(=O)N(CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001408748626 838248310 /nfs/dbraw/zinc/24/83/10/838248310.db2.gz IIZJAJJBHDWPKA-KFWWJZLASA-N 1 3 326.485 0.632 20 0 ECADHO CC[C@H](C(=O)NCCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001408771412 838384502 /nfs/dbraw/zinc/38/45/02/838384502.db2.gz KJQRPRJDQLRVOK-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCOCCO)C1 ZINC001267791022 838570993 /nfs/dbraw/zinc/57/09/93/838570993.db2.gz UWUHDARWOOCFJG-HZPDHXFCSA-N 1 3 327.469 0.260 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCOCCO)C1 ZINC001267791022 838570999 /nfs/dbraw/zinc/57/09/99/838570999.db2.gz UWUHDARWOOCFJG-HZPDHXFCSA-N 1 3 327.469 0.260 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001408829505 838577361 /nfs/dbraw/zinc/57/73/61/838577361.db2.gz SKZNTFCGQXISBC-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001408829505 838577364 /nfs/dbraw/zinc/57/73/64/838577364.db2.gz SKZNTFCGQXISBC-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001279242755 838599571 /nfs/dbraw/zinc/59/95/71/838599571.db2.gz XHWZNEQCTZIWNS-GPANFISMSA-N 1 3 338.496 0.678 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000418850759 282169132 /nfs/dbraw/zinc/16/91/32/282169132.db2.gz OJQOIOBPSOECCE-QGZVFWFLSA-N 1 3 346.475 0.473 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423170177 290697578 /nfs/dbraw/zinc/69/75/78/290697578.db2.gz LEPGYXPULCFXDD-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041646925 781923663 /nfs/dbraw/zinc/92/36/63/781923663.db2.gz VHCJWPUMQTWESV-SJLPKXTDSA-N 1 3 348.495 0.789 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041646925 781923654 /nfs/dbraw/zinc/92/36/54/781923654.db2.gz VHCJWPUMQTWESV-SJLPKXTDSA-N 1 3 348.495 0.789 20 0 ECADHO C[C@@H](O)CCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000426311644 210145135 /nfs/dbraw/zinc/14/51/35/210145135.db2.gz QUAPKIBVXAWAAE-CQSZACIVSA-N 1 3 326.485 0.957 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000425388827 210048643 /nfs/dbraw/zinc/04/86/43/210048643.db2.gz PDHCTWUQHDXGFC-DOTOQJQBSA-N 1 3 348.491 0.626 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)[C@@H]2C1 ZINC000425380639 210047205 /nfs/dbraw/zinc/04/72/05/210047205.db2.gz FEINIMJFKASGEB-YYIAUSFCSA-N 1 3 348.491 0.482 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)[C@@H]2C1 ZINC000425380639 210047210 /nfs/dbraw/zinc/04/72/10/210047210.db2.gz FEINIMJFKASGEB-YYIAUSFCSA-N 1 3 348.491 0.482 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424161639 209882164 /nfs/dbraw/zinc/88/21/64/209882164.db2.gz BZGGHDOGNYHPHK-ZBFHGGJFSA-N 1 3 340.431 0.819 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000419251145 282796947 /nfs/dbraw/zinc/79/69/47/282796947.db2.gz ZSRKYUIVVYXTIP-GDBMZVCRSA-N 1 3 338.496 0.953 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C[C@@H]21 ZINC000460062694 283080018 /nfs/dbraw/zinc/08/00/18/283080018.db2.gz NFLPAVJQILGHMP-PMPSAXMXSA-N 1 3 334.464 0.236 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000355283561 299230544 /nfs/dbraw/zinc/23/05/44/299230544.db2.gz UIAWEVAOKLYHAJ-KFWWJZLASA-N 1 3 326.485 0.822 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420102427 283232400 /nfs/dbraw/zinc/23/24/00/283232400.db2.gz NPQUVDALYXUECK-HUUCEWRRSA-N 1 3 326.485 0.681 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423420977 283232479 /nfs/dbraw/zinc/23/24/79/283232479.db2.gz XKHZUILDOLLBQC-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO CCC[NH2+]CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417430062 283388207 /nfs/dbraw/zinc/38/82/07/283388207.db2.gz OJXCHSBKBZJYNE-CQSZACIVSA-N 1 3 327.473 0.228 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422974898 291195596 /nfs/dbraw/zinc/19/55/96/291195596.db2.gz RZGRVHMBPLDUEH-BLYZHGLHSA-N 1 3 340.468 0.205 20 0 ECADHO C[C@H](NCCN1CC[NH2+]CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000423200438 299297602 /nfs/dbraw/zinc/29/76/02/299297602.db2.gz FOPAPWLOHQNALX-ZDUSSCGKSA-N 1 3 326.466 0.614 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420220173 209343325 /nfs/dbraw/zinc/34/33/25/209343325.db2.gz XYVFNOBKWQSNBH-HRCADAONSA-N 1 3 338.496 0.537 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000420206864 209340750 /nfs/dbraw/zinc/34/07/50/209340750.db2.gz FLIIVGBFMNCMTE-LSDHHAIUSA-N 1 3 336.480 0.649 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355903736 299317594 /nfs/dbraw/zinc/31/75/94/299317594.db2.gz VJNKGXYHIQCYDI-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000420108193 209307494 /nfs/dbraw/zinc/30/74/94/209307494.db2.gz WYODWBDNRTVHJU-UHFFFAOYSA-N 1 3 332.448 0.706 20 0 ECADHO C[C@@H](O)CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000131226914 223215730 /nfs/dbraw/zinc/21/57/30/223215730.db2.gz NCOXURILTBHVFR-KGLIPLIRSA-N 1 3 343.493 0.948 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000420081575 209299925 /nfs/dbraw/zinc/29/99/25/209299925.db2.gz NKUIKRAXOAKBKI-ZIAGYGMSSA-N 1 3 326.485 0.999 20 0 ECADHO CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H](CN)C1CC1)[NH+]1CCCC1 ZINC000420068813 209296756 /nfs/dbraw/zinc/29/67/56/209296756.db2.gz VFYGXZYYVDEUMN-JKSUJKDBSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000420043610 209287066 /nfs/dbraw/zinc/28/70/66/209287066.db2.gz SAEIOXRRGKCJLI-OLZOCXBDSA-N 1 3 340.468 0.158 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837525 209218870 /nfs/dbraw/zinc/21/88/70/209218870.db2.gz DAZOAOSLXKRRMI-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000419812600 209211275 /nfs/dbraw/zinc/21/12/75/209211275.db2.gz NDCQTXDCLLWUJL-UHFFFAOYSA-N 1 3 348.447 0.776 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000419781519 209203561 /nfs/dbraw/zinc/20/35/61/209203561.db2.gz SGIHAFXBJMRJQA-HIFRSBDPSA-N 1 3 338.496 0.809 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000419778787 209202338 /nfs/dbraw/zinc/20/23/38/209202338.db2.gz MPHNUHNKYDQBQT-INIZCTEOSA-N 1 3 332.448 0.349 20 0 ECADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000262634526 245084246 /nfs/dbraw/zinc/08/42/46/245084246.db2.gz HAVXWSINPFGMSE-CABCVRRESA-N 1 3 330.432 0.932 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419697523 209175565 /nfs/dbraw/zinc/17/55/65/209175565.db2.gz OIJCIDHRGNUYDH-UYSNPLJNSA-N 1 3 338.496 0.999 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419595091 209134486 /nfs/dbraw/zinc/13/44/86/209134486.db2.gz VTTPJBGLUCDBPR-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCSC1 ZINC000419592868 209134144 /nfs/dbraw/zinc/13/41/44/209134144.db2.gz XKBDZCHLNRTRPY-JKSUJKDBSA-N 1 3 342.509 0.046 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000419576584 209130300 /nfs/dbraw/zinc/13/03/00/209130300.db2.gz CHYITYOGMLOUJI-WOSRLPQWSA-N 1 3 342.509 0.126 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000448244930 211234044 /nfs/dbraw/zinc/23/40/44/211234044.db2.gz WMDLMRKNRIXDKF-HOTGVXAUSA-N 1 3 332.448 0.780 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000448244930 211234045 /nfs/dbraw/zinc/23/40/45/211234045.db2.gz WMDLMRKNRIXDKF-HOTGVXAUSA-N 1 3 332.448 0.780 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)CN[C@H](CO)[C@@H]1CCCO1)c1ccccc1 ZINC000447901156 211213403 /nfs/dbraw/zinc/21/34/03/211213403.db2.gz BDMOTQKFHDYIML-ZACQAIPSSA-N 1 3 335.448 0.535 20 0 ECADHO CCN1CCN(CCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446378507 211141185 /nfs/dbraw/zinc/14/11/85/211141185.db2.gz USOREBSWZCREOM-IIDMSEBBSA-N 1 3 338.496 0.273 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CC[NH+](CCOC)CC2)C1(C)C ZINC000444170335 211054543 /nfs/dbraw/zinc/05/45/43/211054543.db2.gz MZKDCAHMSBSLMA-PBHICJAKSA-N 1 3 327.469 0.746 20 0 ECADHO CCO[C@H]1C[C@](CO)(NCC(=O)NC2CC[NH+](CC)CC2)C1(C)C ZINC000411614539 208122620 /nfs/dbraw/zinc/12/26/20/208122620.db2.gz QUCBSVSQQICJEJ-MAUKXSAKSA-N 1 3 341.496 0.743 20 0 ECADHO O=C(C[C@@H]1CNCCO1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000430726068 210398848 /nfs/dbraw/zinc/39/88/48/210398848.db2.gz VKOXFGCFBNBLSL-OAHLLOKOSA-N 1 3 325.453 0.516 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419521891 209113946 /nfs/dbraw/zinc/11/39/46/209113946.db2.gz LKSAGDFARKFMGD-RWMBFGLXSA-N 1 3 328.457 0.062 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419521891 209113944 /nfs/dbraw/zinc/11/39/44/209113944.db2.gz LKSAGDFARKFMGD-RWMBFGLXSA-N 1 3 328.457 0.062 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166180 209009311 /nfs/dbraw/zinc/00/93/11/209009311.db2.gz HBYRYTISSORNFR-DOTOQJQBSA-N 1 3 346.475 0.473 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166180 209009313 /nfs/dbraw/zinc/00/93/13/209009313.db2.gz HBYRYTISSORNFR-DOTOQJQBSA-N 1 3 346.475 0.473 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000419166215 209009653 /nfs/dbraw/zinc/00/96/53/209009653.db2.gz HHHLCMIUCPQPEU-PMPSAXMXSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000419166215 209009656 /nfs/dbraw/zinc/00/96/56/209009656.db2.gz HHHLCMIUCPQPEU-PMPSAXMXSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419166960 209009700 /nfs/dbraw/zinc/00/97/00/209009700.db2.gz OTTUKGFXLNPQMT-ZBFHGGJFSA-N 1 3 334.464 0.723 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419183560 209015442 /nfs/dbraw/zinc/01/54/42/209015442.db2.gz DOUGQWAGILQLHT-MRXNPFEDSA-N 1 3 344.459 0.635 20 0 ECADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232767 209034916 /nfs/dbraw/zinc/03/49/16/209034916.db2.gz VBONTORKPMPXSE-YJBOKZPZSA-N 1 3 336.480 0.564 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000185463036 285317566 /nfs/dbraw/zinc/31/75/66/285317566.db2.gz UBILTCUZMHHSFN-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000185463036 285317570 /nfs/dbraw/zinc/31/75/70/285317570.db2.gz UBILTCUZMHHSFN-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO COC[C@@]1(CNC(=O)NC[C@H]2NCCc3ccccc32)CCC[NH2+]1 ZINC000418646959 285324501 /nfs/dbraw/zinc/32/45/01/285324501.db2.gz XRRIHTQHIUKSOY-AEFFLSMTSA-N 1 3 332.448 0.941 20 0 ECADHO C[C@@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)[NH+](C)C)n1)N(C)C ZINC000357765668 299629984 /nfs/dbraw/zinc/62/99/84/299629984.db2.gz LLPXJKSDHPBASB-STQMWFEESA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419684853 298531138 /nfs/dbraw/zinc/53/11/38/298531138.db2.gz VUYHJNXDCCIOQC-OAHLLOKOSA-N 1 3 338.496 0.955 20 0 ECADHO Cc1c(C(=O)NCCN2CCC(C)CC2)nnn1C1CC[NH2+]CC1 ZINC000164986643 164818599 /nfs/dbraw/zinc/81/85/99/164818599.db2.gz FHDPLWCNLVZABZ-UHFFFAOYSA-N 1 3 334.468 0.973 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188742097 165000015 /nfs/dbraw/zinc/00/00/15/165000015.db2.gz FGVSBOFDLMHNOW-UHFFFAOYSA-N 1 3 343.431 0.926 20 0 ECADHO Cc1ccc2nc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cc(=O)n2c1 ZINC000261610749 165214601 /nfs/dbraw/zinc/21/46/01/165214601.db2.gz DOTJGPJMAJYSKS-AWEZNQCLSA-N 1 3 343.431 0.290 20 0 ECADHO CCC(CC)(C[NH3+])C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000261843021 165251755 /nfs/dbraw/zinc/25/17/55/165251755.db2.gz PHSRFFKXQQOVNK-UHFFFAOYSA-N 1 3 338.456 0.265 20 0 ECADHO COCCN1CCC(NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262215501 165310226 /nfs/dbraw/zinc/31/02/26/165310226.db2.gz JCTJIBHPPRUNHY-UHFFFAOYSA-N 1 3 335.452 0.189 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262281374 165322168 /nfs/dbraw/zinc/32/21/68/165322168.db2.gz NXUCETCXWZEKDN-ABFRBSLYSA-N 1 3 333.480 0.960 20 0 ECADHO CN(C)CCn1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)n1 ZINC000262321283 165329398 /nfs/dbraw/zinc/32/93/98/165329398.db2.gz RIHMMHRDPLPNIG-UHFFFAOYSA-N 1 3 331.424 0.359 20 0 ECADHO CC[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@H](CC)CN1C(C)=O ZINC000414697126 287183268 /nfs/dbraw/zinc/18/32/68/287183268.db2.gz BMNISSGCNIICDI-BRWVUGGUSA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@H](CC)CN1C(C)=O ZINC000414697126 287183271 /nfs/dbraw/zinc/18/32/71/287183271.db2.gz BMNISSGCNIICDI-BRWVUGGUSA-N 1 3 338.496 0.905 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419401063 209081715 /nfs/dbraw/zinc/08/17/15/209081715.db2.gz AJPLPGPEEFMNAO-HNNXBMFYSA-N 1 3 326.485 0.666 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000331658119 296952782 /nfs/dbraw/zinc/95/27/82/296952782.db2.gz SZDORCAKBKZNEX-HUUCEWRRSA-N 1 3 337.468 0.206 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000491331896 421205529 /nfs/dbraw/zinc/20/55/29/421205529.db2.gz FSAPWISQHVVLGC-MRXNPFEDSA-N 1 3 336.440 0.338 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000269866369 263209111 /nfs/dbraw/zinc/20/91/11/263209111.db2.gz SNHVYSNABAFJPG-AEFFLSMTSA-N 1 3 334.464 0.873 20 0 ECADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286199758 264379159 /nfs/dbraw/zinc/37/91/59/264379159.db2.gz SDAZSNYNBKWRBX-MRXNPFEDSA-N 1 3 346.475 0.747 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414708950 276115745 /nfs/dbraw/zinc/11/57/45/276115745.db2.gz QQBVEAUWNGSXMQ-CYBMUJFWSA-N 1 3 348.447 0.954 20 0 ECADHO CN1CCN(CCCNC(=O)COC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000431025167 277105091 /nfs/dbraw/zinc/10/50/91/277105091.db2.gz XTMFUEPVQMIXMZ-SFHVURJKSA-N 1 3 346.475 0.470 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262981819 277328551 /nfs/dbraw/zinc/32/85/51/277328551.db2.gz YVHWPEWFZUKBTA-LZWOXQAQSA-N 1 3 327.469 0.698 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419705440 277388232 /nfs/dbraw/zinc/38/82/32/277388232.db2.gz ZOZQUQTUULWRTP-CVEARBPZSA-N 1 3 338.496 0.871 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000419955913 279135725 /nfs/dbraw/zinc/13/57/25/279135725.db2.gz NRYXTOVMHJXAQM-LSDHHAIUSA-N 1 3 326.485 0.570 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000419955913 279135726 /nfs/dbraw/zinc/13/57/26/279135726.db2.gz NRYXTOVMHJXAQM-LSDHHAIUSA-N 1 3 326.485 0.570 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)NCCC[NH3+])CC1 ZINC000416983459 279363603 /nfs/dbraw/zinc/36/36/03/279363603.db2.gz GBBQHZQTOWKLIU-UHFFFAOYSA-N 1 3 333.480 0.972 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000340214412 437602895 /nfs/dbraw/zinc/60/28/95/437602895.db2.gz MKOJPNVDIVJMEP-GJZGRUSLSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000340214412 437602901 /nfs/dbraw/zinc/60/29/01/437602901.db2.gz MKOJPNVDIVJMEP-GJZGRUSLSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000340215241 437603061 /nfs/dbraw/zinc/60/30/61/437603061.db2.gz RCNMYUDBPBNFPQ-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000340215241 437603066 /nfs/dbraw/zinc/60/30/66/437603066.db2.gz RCNMYUDBPBNFPQ-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000261837146 280274503 /nfs/dbraw/zinc/27/45/03/280274503.db2.gz IMEUNYDVQZYSDF-UKPHBRMFSA-N 1 3 326.485 0.713 20 0 ECADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCCN1CC[NH2+]CC1 ZINC000423202746 280396508 /nfs/dbraw/zinc/39/65/08/280396508.db2.gz LEIPYLPVSSNPJL-CQSZACIVSA-N 1 3 340.493 0.507 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340215516 437604490 /nfs/dbraw/zinc/60/44/90/437604490.db2.gz IDUSQWJGDJAVGX-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO CC(C)[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCN1C ZINC000343638241 437610158 /nfs/dbraw/zinc/61/01/58/437610158.db2.gz KHIZFIPKNNNFPT-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCN1C ZINC000343638241 437610164 /nfs/dbraw/zinc/61/01/64/437610164.db2.gz KHIZFIPKNNNFPT-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCCN1C ZINC000418002790 289051327 /nfs/dbraw/zinc/05/13/27/289051327.db2.gz MLKULEPNJGLEHN-QLFBSQMISA-N 1 3 339.484 0.498 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000332202561 297016262 /nfs/dbraw/zinc/01/62/62/297016262.db2.gz STTCQOQTZNAOKG-BHYGNILZSA-N 1 3 337.512 0.781 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000332638345 297061560 /nfs/dbraw/zinc/06/15/60/297061560.db2.gz XVSSIIABQWUHFX-KLHDSHLOSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000332638345 297061561 /nfs/dbraw/zinc/06/15/61/297061561.db2.gz XVSSIIABQWUHFX-KLHDSHLOSA-N 1 3 336.480 0.671 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCC1 ZINC000419428516 295205675 /nfs/dbraw/zinc/20/56/75/295205675.db2.gz SZAYLZTUCNDJTL-INIZCTEOSA-N 1 3 344.459 0.937 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C[C@H]2N)cn1 ZINC000333636971 297146018 /nfs/dbraw/zinc/14/60/18/297146018.db2.gz WRQGAGBAWUPABB-VBNZEHGJSA-N 1 3 332.452 0.341 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C[C@H]2N)cn1 ZINC000333636971 297146020 /nfs/dbraw/zinc/14/60/20/297146020.db2.gz WRQGAGBAWUPABB-VBNZEHGJSA-N 1 3 332.452 0.341 20 0 ECADHO CN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333950734 297156854 /nfs/dbraw/zinc/15/68/54/297156854.db2.gz YLMWAJZLIRKMLK-KBPBESRZSA-N 1 3 342.509 0.322 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CN(C)CCN2CCCS2(=O)=O)CC1 ZINC000336858572 297167321 /nfs/dbraw/zinc/16/73/21/297167321.db2.gz ZPUXIDRXTOYHOE-AWEZNQCLSA-N 1 3 333.498 0.047 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000339574334 297360573 /nfs/dbraw/zinc/36/05/73/297360573.db2.gz HVROBUGIXOCWSR-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000339635057 297367100 /nfs/dbraw/zinc/36/71/00/297367100.db2.gz NWJLIXVNELPSSC-OAHLLOKOSA-N 1 3 338.496 0.966 20 0 ECADHO O=C(NC1CCN(C2CC2)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000339964695 297412750 /nfs/dbraw/zinc/41/27/50/297412750.db2.gz KZBILSNXAIRXJG-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CC1(N(C)C)CCC1)C[NH+]1CCCC1 ZINC000340806069 297551345 /nfs/dbraw/zinc/55/13/45/297551345.db2.gz WJFXGUQDMNQEFK-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000342688482 297766086 /nfs/dbraw/zinc/76/60/86/297766086.db2.gz BFZVNHUIYHDTRE-ZDUSSCGKSA-N 1 3 329.441 0.273 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC[C@@H]1CCOC1 ZINC000344472781 298025719 /nfs/dbraw/zinc/02/57/19/298025719.db2.gz BBUUKVFHOWDCAO-IAGOWNOFSA-N 1 3 341.496 0.914 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC[C@@H]1CCOC1 ZINC000344472781 298025722 /nfs/dbraw/zinc/02/57/22/298025722.db2.gz BBUUKVFHOWDCAO-IAGOWNOFSA-N 1 3 341.496 0.914 20 0 ECADHO N[C@H](CC(F)F)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000345739978 298188886 /nfs/dbraw/zinc/18/88/86/298188886.db2.gz PWLILLCDARGCFE-CQSZACIVSA-N 1 3 341.406 0.692 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000346547653 298291684 /nfs/dbraw/zinc/29/16/84/298291684.db2.gz STNZVLJXJKEKCZ-HOCLYGCPSA-N 1 3 338.496 0.632 20 0 ECADHO CN1CCN(c2ncc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn2)CC1 ZINC000346853522 298354634 /nfs/dbraw/zinc/35/46/34/298354634.db2.gz SULKLZKWZHERLH-ULQDDVLXSA-N 1 3 330.480 0.788 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351756883 298831850 /nfs/dbraw/zinc/83/18/50/298831850.db2.gz BKLIOTQFUTZERZ-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC1CCN(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000353121642 299015189 /nfs/dbraw/zinc/01/51/89/299015189.db2.gz FNJFKHNUELKBKR-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC1CCN(CC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000353121642 299015193 /nfs/dbraw/zinc/01/51/93/299015193.db2.gz FNJFKHNUELKBKR-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000360272319 299963061 /nfs/dbraw/zinc/96/30/61/299963061.db2.gz NLSCCUAEVVJFKJ-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO CCN1CCN(CCC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000360898730 300039178 /nfs/dbraw/zinc/03/91/78/300039178.db2.gz XATGAXWIDLIAGU-UHFFFAOYSA-N 1 3 339.528 0.156 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1=O ZINC000361386966 300088256 /nfs/dbraw/zinc/08/82/56/300088256.db2.gz RMFFYGFAVMDGMS-HNNXBMFYSA-N 1 3 338.496 0.635 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1=O ZINC000361461306 300098112 /nfs/dbraw/zinc/09/81/12/300098112.db2.gz IJMXLUSZVXAEFB-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1=O ZINC000361461306 300098114 /nfs/dbraw/zinc/09/81/14/300098114.db2.gz IJMXLUSZVXAEFB-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CCN1CCOC ZINC000362563827 300199044 /nfs/dbraw/zinc/19/90/44/300199044.db2.gz DASXXABAMHHLDF-KGLIPLIRSA-N 1 3 335.452 0.669 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]21 ZINC000363476325 300268563 /nfs/dbraw/zinc/26/85/63/300268563.db2.gz IPXGKLZOVRFIQM-TWMKSMIVSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]21 ZINC000363476325 300268565 /nfs/dbraw/zinc/26/85/65/300268565.db2.gz IPXGKLZOVRFIQM-TWMKSMIVSA-N 1 3 336.480 0.975 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377891136 301388272 /nfs/dbraw/zinc/38/82/72/301388272.db2.gz AAQAMFNJFLSIJB-UHFFFAOYSA-N 1 3 336.480 0.627 20 0 ECADHO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(CC2CCOCC2)CC1 ZINC000077601350 436243053 /nfs/dbraw/zinc/24/30/53/436243053.db2.gz OJPBQFYWAYQPHZ-INIZCTEOSA-N 1 3 336.480 0.977 20 0 ECADHO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(CC2CCOCC2)CC1 ZINC000077601350 436243054 /nfs/dbraw/zinc/24/30/54/436243054.db2.gz OJPBQFYWAYQPHZ-INIZCTEOSA-N 1 3 336.480 0.977 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 ZINC000050797045 436478098 /nfs/dbraw/zinc/47/80/98/436478098.db2.gz MMJIIVJKGOGXFS-UHFFFAOYSA-N 1 3 338.452 0.504 20 0 ECADHO Cc1ncc2c(n1)CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000524934604 301827974 /nfs/dbraw/zinc/82/79/74/301827974.db2.gz ARKHDPHYYPYLSH-MRXNPFEDSA-N 1 3 348.495 0.777 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3COCCO3)CC2)CC1 ZINC000051777777 436497960 /nfs/dbraw/zinc/49/79/60/436497960.db2.gz MQSDBNRLOIHZEJ-INIZCTEOSA-N 1 3 340.468 0.260 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000103212068 436552902 /nfs/dbraw/zinc/55/29/02/436552902.db2.gz PRJNFFMRQNLSPZ-UHFFFAOYSA-N 1 3 347.463 0.292 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000108640467 436620398 /nfs/dbraw/zinc/62/03/98/436620398.db2.gz YONXQTRHGPKSAX-UHFFFAOYSA-N 1 3 346.431 0.234 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C(N)=O)o1 ZINC000530755803 302026413 /nfs/dbraw/zinc/02/64/13/302026413.db2.gz ZSJAVAAFZRSYAE-UHFFFAOYSA-N 1 3 325.413 0.013 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)CC1CCCC1 ZINC000530881224 302032967 /nfs/dbraw/zinc/03/29/67/302032967.db2.gz FAYURTJHOBUMRO-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000536569658 302140879 /nfs/dbraw/zinc/14/08/79/302140879.db2.gz SXVVAIZBSNQEDJ-KGLIPLIRSA-N 1 3 327.473 0.036 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000551039397 302352621 /nfs/dbraw/zinc/35/26/21/302352621.db2.gz PMOHOSXAXPSESU-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(CC[NH+](C)C)CC1 ZINC000067119457 436704068 /nfs/dbraw/zinc/70/40/68/436704068.db2.gz AZIMRCNUIRHJKG-GDBMZVCRSA-N 1 3 338.496 0.763 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000556801529 302449327 /nfs/dbraw/zinc/44/93/27/302449327.db2.gz DZOKLWYGNYCEAI-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CCN1CCC(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000067608253 436717650 /nfs/dbraw/zinc/71/76/50/436717650.db2.gz PPJDMTSNVNDEDT-INIZCTEOSA-N 1 3 326.485 0.863 20 0 ECADHO COC(=O)C[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000128559072 436816877 /nfs/dbraw/zinc/81/68/77/436816877.db2.gz NCRRGSMYXJYRLN-CYBMUJFWSA-N 1 3 325.453 0.860 20 0 ECADHO Cc1nc2n(n1)C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000154583041 436780475 /nfs/dbraw/zinc/78/04/75/436780475.db2.gz HEAKNRPDUGMKMJ-AWEZNQCLSA-N 1 3 337.472 0.036 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000130722777 436840078 /nfs/dbraw/zinc/84/00/78/436840078.db2.gz FKSRLVJNWYHRLF-HNNXBMFYSA-N 1 3 332.448 0.594 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262322327 436924475 /nfs/dbraw/zinc/92/44/75/436924475.db2.gz CRHARYJLVBSFCO-CYBMUJFWSA-N 1 3 339.509 0.648 20 0 ECADHO CN(CCC(N)=O)Cc1cc(Cl)cc(C[N@H+](C)CCC(N)=O)c1 ZINC000295416379 436968016 /nfs/dbraw/zinc/96/80/16/436968016.db2.gz XTQADNNSLJUMBG-UHFFFAOYSA-N 1 3 340.855 0.954 20 0 ECADHO CN(CCC(N)=O)Cc1cc(Cl)cc(C[N@@H+](C)CCC(N)=O)c1 ZINC000295416379 436968019 /nfs/dbraw/zinc/96/80/19/436968019.db2.gz XTQADNNSLJUMBG-UHFFFAOYSA-N 1 3 340.855 0.954 20 0 ECADHO CN(CCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000262381684 436929034 /nfs/dbraw/zinc/92/90/34/436929034.db2.gz NBAUACGXCUVOEH-UHFFFAOYSA-N 1 3 345.509 0.534 20 0 ECADHO CN1CCO[C@@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000173337416 437046455 /nfs/dbraw/zinc/04/64/55/437046455.db2.gz UFMYVZARBSHFHP-MRXNPFEDSA-N 1 3 338.496 0.384 20 0 ECADHO NCC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)C1 ZINC000414742951 303365719 /nfs/dbraw/zinc/36/57/19/303365719.db2.gz UUQYDOLBXNVJFC-WMLDXEAASA-N 1 3 334.439 0.969 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000331483619 437103770 /nfs/dbraw/zinc/10/37/70/437103770.db2.gz XPIDNHZKCGDBAX-QKPAOTATSA-N 1 3 336.480 0.291 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000331596842 437128771 /nfs/dbraw/zinc/12/87/71/437128771.db2.gz YAAXHVNJLHLJBS-FXUDXRNXSA-N 1 3 336.480 0.574 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000331596842 437128777 /nfs/dbraw/zinc/12/87/77/437128777.db2.gz YAAXHVNJLHLJBS-FXUDXRNXSA-N 1 3 336.480 0.574 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000332356189 437215454 /nfs/dbraw/zinc/21/54/54/437215454.db2.gz WNSDLOMWDRHSGQ-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](NC(=O)CN1CCNCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310150399 437170060 /nfs/dbraw/zinc/17/00/60/437170060.db2.gz OXZGLAAKMRUACE-WMZOPIPTSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@H](NC(=O)CN1CCNCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310150399 437170064 /nfs/dbraw/zinc/17/00/64/437170064.db2.gz OXZGLAAKMRUACE-WMZOPIPTSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000332546098 437230262 /nfs/dbraw/zinc/23/02/62/437230262.db2.gz GKOMONFMFLZRMK-PRLABOORSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333394170 437269721 /nfs/dbraw/zinc/26/97/21/437269721.db2.gz XXAWMAZNBCHIJY-HIFRSBDPSA-N 1 3 345.451 0.587 20 0 ECADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333394170 437269724 /nfs/dbraw/zinc/26/97/24/437269724.db2.gz XXAWMAZNBCHIJY-HIFRSBDPSA-N 1 3 345.451 0.587 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CN1C1CC1 ZINC000333610777 437277835 /nfs/dbraw/zinc/27/78/35/437277835.db2.gz RXICBUSCNGUMTF-DLKVLKDVSA-N 1 3 332.452 0.481 20 0 ECADHO CCCC(=O)NCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000337576098 437366775 /nfs/dbraw/zinc/36/67/75/437366775.db2.gz IRTAJOJZCKMJAC-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCC(=O)NCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000337576098 437366779 /nfs/dbraw/zinc/36/67/79/437366779.db2.gz IRTAJOJZCKMJAC-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO C[NH+](C)C1CCN(CCN[C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000183075438 437373469 /nfs/dbraw/zinc/37/34/69/437373469.db2.gz JYRCPQXNBFHUTI-HOTGVXAUSA-N 1 3 331.526 0.958 20 0 ECADHO O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419677119 303771683 /nfs/dbraw/zinc/77/16/83/303771683.db2.gz NJHUDVGLLIZMHO-OAHLLOKOSA-N 1 3 336.480 0.627 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000339637751 437481578 /nfs/dbraw/zinc/48/15/78/437481578.db2.gz UECCDWUSTRGCHJ-GOEBONIOSA-N 1 3 338.496 0.917 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCNC(=O)NC ZINC000339655318 437485951 /nfs/dbraw/zinc/48/59/51/437485951.db2.gz LPAKCBYFXUKEJQ-CQSZACIVSA-N 1 3 327.473 0.180 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCNC(=O)NC ZINC000339655318 437485959 /nfs/dbraw/zinc/48/59/59/437485959.db2.gz LPAKCBYFXUKEJQ-CQSZACIVSA-N 1 3 327.473 0.180 20 0 ECADHO CCN1CCN(CCC(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC000269156430 437460623 /nfs/dbraw/zinc/46/06/23/437460623.db2.gz HLNQPJYVDXYFJF-UHFFFAOYSA-N 1 3 346.479 0.457 20 0 ECADHO COC[C@H](N)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000354067955 437519987 /nfs/dbraw/zinc/51/99/87/437519987.db2.gz IWHCZWOXUVMXJF-SFHVURJKSA-N 1 3 348.491 0.674 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cncn1C ZINC000360105552 437522394 /nfs/dbraw/zinc/52/23/94/437522394.db2.gz SQACVOFERCNNMW-OAHLLOKOSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cncn1C ZINC000360105552 437522398 /nfs/dbraw/zinc/52/23/98/437522398.db2.gz SQACVOFERCNNMW-OAHLLOKOSA-N 1 3 336.484 0.978 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360279606 437573318 /nfs/dbraw/zinc/57/33/18/437573318.db2.gz PIRRHGVFBMUQQZ-OAHLLOKOSA-N 1 3 342.484 0.062 20 0 ECADHO CS[C@@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1N(C)C ZINC000330691322 437590396 /nfs/dbraw/zinc/59/03/96/437590396.db2.gz BEUNEWOOVSBTIJ-CHWSQXEVSA-N 1 3 340.497 0.954 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000340354481 437634893 /nfs/dbraw/zinc/63/48/93/437634893.db2.gz KXUYRMYNOJMCEH-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000340354481 437634897 /nfs/dbraw/zinc/63/48/97/437634897.db2.gz KXUYRMYNOJMCEH-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)CCN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000354684959 437647370 /nfs/dbraw/zinc/64/73/70/437647370.db2.gz XWHWBRBDQFODBK-MRXNPFEDSA-N 1 3 332.448 0.840 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343789441 437657400 /nfs/dbraw/zinc/65/74/00/437657400.db2.gz WCLBLXAQIZFTKQ-GOEBONIOSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000343789441 437657404 /nfs/dbraw/zinc/65/74/04/437657404.db2.gz WCLBLXAQIZFTKQ-GOEBONIOSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340481892 437665612 /nfs/dbraw/zinc/66/56/12/437665612.db2.gz UTFKGJHGRMPNQZ-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340481892 437665617 /nfs/dbraw/zinc/66/56/17/437665617.db2.gz UTFKGJHGRMPNQZ-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H](CO)C1CCOCC1)c1ccccc1 ZINC000355048687 437667639 /nfs/dbraw/zinc/66/76/39/437667639.db2.gz FEKPONNVVOMNOQ-ZWKOTPCHSA-N 1 3 349.475 0.783 20 0 ECADHO CS[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1N(C)C ZINC000343679338 437625532 /nfs/dbraw/zinc/62/55/32/437625532.db2.gz VNWAXKZVGVXNOA-CVEARBPZSA-N 1 3 340.537 0.707 20 0 ECADHO CCOC(=O)[C@@](C)(O)CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000331046829 437678620 /nfs/dbraw/zinc/67/86/20/437678620.db2.gz GIKZWGMIGGBVNB-PBHICJAKSA-N 1 3 327.469 0.401 20 0 ECADHO CCOC(=O)[C@@](C)(O)CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000331046829 437678623 /nfs/dbraw/zinc/67/86/23/437678623.db2.gz GIKZWGMIGGBVNB-PBHICJAKSA-N 1 3 327.469 0.401 20 0 ECADHO CCN(CCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000355448553 437707162 /nfs/dbraw/zinc/70/71/62/437707162.db2.gz OOECBLLPFRDRFI-CQSZACIVSA-N 1 3 339.484 0.357 20 0 ECADHO CCN(CCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000355448553 437707166 /nfs/dbraw/zinc/70/71/66/437707166.db2.gz OOECBLLPFRDRFI-CQSZACIVSA-N 1 3 339.484 0.357 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000344010078 437716196 /nfs/dbraw/zinc/71/61/96/437716196.db2.gz KYKCBMYHTKZBIE-IRXDYDNUSA-N 1 3 338.496 0.336 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000423595146 437769996 /nfs/dbraw/zinc/76/99/96/437769996.db2.gz PLLHTAHEYSLRLE-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(=O)NCCN)ccc21 ZINC000415269691 437772576 /nfs/dbraw/zinc/77/25/76/437772576.db2.gz LUBVOGZVPJAPED-UHFFFAOYSA-N 1 3 345.447 0.997 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)C[NH+]1CCCC1 ZINC000340775681 437729701 /nfs/dbraw/zinc/72/97/01/437729701.db2.gz NIAXJQATLRAPQL-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000362884112 437760165 /nfs/dbraw/zinc/76/01/65/437760165.db2.gz HHNANDWAHYJJMZ-JYJNAYRXSA-N 1 3 346.479 1.393 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000362884112 437760166 /nfs/dbraw/zinc/76/01/66/437760166.db2.gz HHNANDWAHYJJMZ-JYJNAYRXSA-N 1 3 346.479 1.393 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000415569643 437824747 /nfs/dbraw/zinc/82/47/47/437824747.db2.gz XAWBKQPTBVERQR-UHFFFAOYSA-N 1 3 334.420 0.563 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(C)c2)C1 ZINC000415300346 437778407 /nfs/dbraw/zinc/77/84/07/437778407.db2.gz ORAWCWMGVWALHG-OAHLLOKOSA-N 1 3 348.447 0.694 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000415322013 437782831 /nfs/dbraw/zinc/78/28/31/437782831.db2.gz YUNWRIRRENJALG-CQSZACIVSA-N 1 3 334.420 0.434 20 0 ECADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C12CCCN1CCC2 ZINC000423633949 437785502 /nfs/dbraw/zinc/78/55/02/437785502.db2.gz PTEBVIBADOOZHA-LBPRGKRZSA-N 1 3 334.386 0.567 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)ccc1OCCN(C)C ZINC000415841466 437869054 /nfs/dbraw/zinc/86/90/54/437869054.db2.gz OCESHGBKAAFSHM-UKRRQHHQSA-N 1 3 348.447 0.680 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415627936 437832880 /nfs/dbraw/zinc/83/28/80/437832880.db2.gz TUAMBULOFAEYSU-CZUORRHYSA-N 1 3 348.447 0.680 20 0 ECADHO CNC(=O)C[C@@H](C)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347259355 437862283 /nfs/dbraw/zinc/86/22/83/437862283.db2.gz DECBSHCRPMBPKI-ZBFHGGJFSA-N 1 3 334.464 0.390 20 0 ECADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000424141106 437895195 /nfs/dbraw/zinc/89/51/95/437895195.db2.gz GTYVNTUMGAGBDY-JKSUJKDBSA-N 1 3 330.432 0.476 20 0 ECADHO CC(C)CN1CC[C@H](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000357243849 437944481 /nfs/dbraw/zinc/94/44/81/437944481.db2.gz RLHMDARECVUXGN-CQSZACIVSA-N 1 3 345.509 0.247 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)N(C)C1CC1 ZINC000342074748 437959456 /nfs/dbraw/zinc/95/94/56/437959456.db2.gz LPVGVLUCIXLOGE-HLIUYOAVSA-N 1 3 336.480 0.718 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000424442344 437935382 /nfs/dbraw/zinc/93/53/82/437935382.db2.gz CCDOGBABFWRTAN-INIZCTEOSA-N 1 3 348.447 0.355 20 0 ECADHO C[C@@H]1NCCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1C ZINC000417433070 438048910 /nfs/dbraw/zinc/04/89/10/438048910.db2.gz UWPSUOIXMOFWHK-SOUVJXGZSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H]1NCCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1C ZINC000417433070 438048913 /nfs/dbraw/zinc/04/89/13/438048913.db2.gz UWPSUOIXMOFWHK-SOUVJXGZSA-N 1 3 339.484 0.321 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417435690 438049364 /nfs/dbraw/zinc/04/93/64/438049364.db2.gz ZAJWVSURQVLQCC-ZIAGYGMSSA-N 1 3 325.457 0.062 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)CN1 ZINC000417427046 438049808 /nfs/dbraw/zinc/04/98/08/438049808.db2.gz IIFUCDCACUUQBN-KFWWJZLASA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)CN1 ZINC000417427046 438049815 /nfs/dbraw/zinc/04/98/15/438049815.db2.gz IIFUCDCACUUQBN-KFWWJZLASA-N 1 3 339.484 0.321 20 0 ECADHO CN(C)[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000416852665 437995741 /nfs/dbraw/zinc/99/57/41/437995741.db2.gz SNSZIKVTZUDBQL-SFHVURJKSA-N 1 3 347.507 0.754 20 0 ECADHO O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416837237 437996557 /nfs/dbraw/zinc/99/65/57/437996557.db2.gz HLZSEGOUPUQCGB-SFHVURJKSA-N 1 3 345.491 0.855 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000416875044 437997888 /nfs/dbraw/zinc/99/78/88/437997888.db2.gz AXUAAPYJNFSGAS-UHFFFAOYSA-N 1 3 333.480 0.843 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348014428 437998664 /nfs/dbraw/zinc/99/86/64/437998664.db2.gz MSDTWGBSLNGJFS-OWCLPIDISA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348014428 437998669 /nfs/dbraw/zinc/99/86/69/437998669.db2.gz MSDTWGBSLNGJFS-OWCLPIDISA-N 1 3 338.496 0.966 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000348015282 437999155 /nfs/dbraw/zinc/99/91/55/437999155.db2.gz NMFYNXDITDIDCZ-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO [NH3+]C1(CNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCC1 ZINC000417983758 438097399 /nfs/dbraw/zinc/09/73/99/438097399.db2.gz CNAVZFKAKPEHRC-MRXNPFEDSA-N 1 3 332.448 0.934 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417474096 438053356 /nfs/dbraw/zinc/05/33/56/438053356.db2.gz MDGDGHBYPFUAFC-AWEZNQCLSA-N 1 3 349.479 0.633 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417470805 438054809 /nfs/dbraw/zinc/05/48/09/438054809.db2.gz FOQAZBNHFLIIOA-ZDUSSCGKSA-N 1 3 335.452 0.515 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417573571 438061136 /nfs/dbraw/zinc/06/11/36/438061136.db2.gz XBRULQWPHOTZTR-GDBMZVCRSA-N 1 3 328.457 0.165 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CNCCO2)[C@@H](C)C1 ZINC000417671262 438066821 /nfs/dbraw/zinc/06/68/21/438066821.db2.gz PYOMPHJUOZYANT-JYJNAYRXSA-N 1 3 342.484 0.411 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CNCCO2)[C@@H](C)C1 ZINC000417671262 438066824 /nfs/dbraw/zinc/06/68/24/438066824.db2.gz PYOMPHJUOZYANT-JYJNAYRXSA-N 1 3 342.484 0.411 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000417648465 438067026 /nfs/dbraw/zinc/06/70/26/438067026.db2.gz HQFQPUIMDUBFQD-GOSISDBHSA-N 1 3 345.491 0.855 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000417743556 438073883 /nfs/dbraw/zinc/07/38/83/438073883.db2.gz CEADZGWHDUERFV-DLBZAZTESA-N 1 3 339.528 0.949 20 0 ECADHO C[C@@H](NC(=O)NCCN1CC[NH2+]CC1)[C@H](c1ccccc1)N(C)C ZINC000418161563 438111628 /nfs/dbraw/zinc/11/16/28/438111628.db2.gz BYAHZYFWRCTULE-NVXWUHKLSA-N 1 3 333.480 0.882 20 0 ECADHO CC(C)N(C(=O)[C@@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000430610877 438115714 /nfs/dbraw/zinc/11/57/14/438115714.db2.gz MBKYEKGRAHCCIJ-CABCVRRESA-N 1 3 326.485 0.807 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000343013817 438105514 /nfs/dbraw/zinc/10/55/14/438105514.db2.gz FUZLUAYUNQWMJP-GOEBONIOSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000430954393 438135330 /nfs/dbraw/zinc/13/53/30/438135330.db2.gz JFKLEJXOTNWPMN-CQSZACIVSA-N 1 3 348.447 0.623 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418365718 438135570 /nfs/dbraw/zinc/13/55/70/438135570.db2.gz FBQGCPVXQNBUTE-HUUCEWRRSA-N 1 3 325.501 0.652 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000358071936 438140797 /nfs/dbraw/zinc/14/07/97/438140797.db2.gz YGRZYDCAXRPKPL-IBGZPJMESA-N 1 3 346.475 0.625 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418413770 438141981 /nfs/dbraw/zinc/14/19/81/438141981.db2.gz ZFDCXQDKXRUIAN-MRXNPFEDSA-N 1 3 325.501 0.783 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000431054796 438143570 /nfs/dbraw/zinc/14/35/70/438143570.db2.gz FHJWBSODHUIWHX-ZACQAIPSSA-N 1 3 338.496 0.382 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418442101 438145298 /nfs/dbraw/zinc/14/52/98/438145298.db2.gz MLCLNBDPBGWJHB-HNNXBMFYSA-N 1 3 339.484 0.309 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418444793 438145413 /nfs/dbraw/zinc/14/54/13/438145413.db2.gz XARSIKSVSROKJX-UHFFFAOYSA-N 1 3 339.484 0.454 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000418447266 438147196 /nfs/dbraw/zinc/14/71/96/438147196.db2.gz QKKODVBHIZNXBR-HNNXBMFYSA-N 1 3 341.500 0.555 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418465441 438147979 /nfs/dbraw/zinc/14/79/79/438147979.db2.gz MXHRJJMSIQVMPQ-HUUCEWRRSA-N 1 3 339.484 0.452 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000358101462 438151540 /nfs/dbraw/zinc/15/15/40/438151540.db2.gz RLQUONXMQXEWIR-LSDHHAIUSA-N 1 3 335.514 0.652 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000358114243 438155005 /nfs/dbraw/zinc/15/50/05/438155005.db2.gz UGNWBFCREJJEII-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000358114243 438155010 /nfs/dbraw/zinc/15/50/10/438155010.db2.gz UGNWBFCREJJEII-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000367029666 438156985 /nfs/dbraw/zinc/15/69/85/438156985.db2.gz MXIBPBKLFKEEHD-SFHVURJKSA-N 1 3 346.475 0.633 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000418616605 438166877 /nfs/dbraw/zinc/16/68/77/438166877.db2.gz MPMICDRAOSMRBB-HUUCEWRRSA-N 1 3 326.485 0.911 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000418849271 438216270 /nfs/dbraw/zinc/21/62/70/438216270.db2.gz MJDNEUSXKARLNY-JKSUJKDBSA-N 1 3 332.448 0.129 20 0 ECADHO COCCN1CCC(NC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433173763 438229861 /nfs/dbraw/zinc/22/98/61/438229861.db2.gz HHUFJJMGLVMXIV-UHFFFAOYSA-N 1 3 326.485 0.417 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000418877155 438232025 /nfs/dbraw/zinc/23/20/25/438232025.db2.gz NWCZSJHMOLPAHS-UAGQMJEPSA-N 1 3 346.475 0.471 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000418882125 438234165 /nfs/dbraw/zinc/23/41/65/438234165.db2.gz YIMKKMUMBPNMCE-JCYILVPMSA-N 1 3 346.475 0.662 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CCSC1 ZINC000433381615 438242992 /nfs/dbraw/zinc/24/29/92/438242992.db2.gz ANXGKSMUJFHTIJ-DOMZBBRYSA-N 1 3 338.481 0.370 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418830219 438205072 /nfs/dbraw/zinc/20/50/72/438205072.db2.gz FOPAJZVPTJCMOH-IRXDYDNUSA-N 1 3 346.475 0.391 20 0 ECADHO O[C@H]1c2ccccc2C[C@@H]1N1CCN(CCN2CCCOCC2)CC1 ZINC000367459826 438210160 /nfs/dbraw/zinc/21/01/60/438210160.db2.gz WMVNKGROKXZOCJ-PMACEKPBSA-N 1 3 345.487 0.985 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)N(C)Cc1ccccc1 ZINC000418958540 438263198 /nfs/dbraw/zinc/26/31/98/438263198.db2.gz GLMKMTNJIMNLNM-OAHLLOKOSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000418962644 438266050 /nfs/dbraw/zinc/26/60/50/438266050.db2.gz KZVYRNZNGDKCKP-HOCLYGCPSA-N 1 3 332.448 0.491 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000433869400 438267597 /nfs/dbraw/zinc/26/75/97/438267597.db2.gz RWBPCUAGIYFCLF-OAHLLOKOSA-N 1 3 329.466 0.339 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000418991419 438276098 /nfs/dbraw/zinc/27/60/98/438276098.db2.gz XQJKIXPWDBVMSE-MRXNPFEDSA-N 1 3 332.448 0.623 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000419002496 438279726 /nfs/dbraw/zinc/27/97/26/438279726.db2.gz SZUFPOIUSLOXFD-UHFFFAOYSA-N 1 3 334.464 0.998 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419022671 438291036 /nfs/dbraw/zinc/29/10/36/438291036.db2.gz IKPYICZKTKBLBK-RBSFLKMASA-N 1 3 340.512 0.912 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419024372 438293405 /nfs/dbraw/zinc/29/34/05/438293405.db2.gz KRUPXROZSYHRDD-QLFBSQMISA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419024384 438293905 /nfs/dbraw/zinc/29/39/05/438293905.db2.gz KSCMPYRVPZYTEV-QRJUGERDSA-N 1 3 338.496 0.583 20 0 ECADHO CC1CCN([C@H](CNC(=O)C(=O)NCC[NH3+])c2ccccc2)CC1 ZINC000418929364 438251830 /nfs/dbraw/zinc/25/18/30/438251830.db2.gz FDDKTEWGMVXDHC-MRXNPFEDSA-N 1 3 332.448 0.651 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)NC[C@](C)(O)C[NH+](C)C)CCCO1 ZINC000433467617 438253539 /nfs/dbraw/zinc/25/35/39/438253539.db2.gz RCSQGQGCZNLQGQ-ZBFHGGJFSA-N 1 3 330.473 0.099 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000418931690 438254368 /nfs/dbraw/zinc/25/43/68/438254368.db2.gz HAXKVFLHKLHSHX-QGZVFWFLSA-N 1 3 346.475 0.911 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000419107433 438323154 /nfs/dbraw/zinc/32/31/54/438323154.db2.gz PCQVJOIYKYISBK-INIZCTEOSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419127016 438334564 /nfs/dbraw/zinc/33/45/64/438334564.db2.gz YYBXOZRUGROTJQ-JKSUJKDBSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368527920 438342867 /nfs/dbraw/zinc/34/28/67/438342867.db2.gz WMDQTJBMOISQEY-BBWFWOEESA-N 1 3 339.480 0.759 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N1CCC(C)CC1 ZINC000419141479 438345444 /nfs/dbraw/zinc/34/54/44/438345444.db2.gz ATAKDXGTDXXWSP-GDBMZVCRSA-N 1 3 338.496 0.857 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419034102 438299462 /nfs/dbraw/zinc/29/94/62/438299462.db2.gz ZIBYWMGLDHQRPZ-ZIAGYGMSSA-N 1 3 326.485 0.727 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419042319 438302626 /nfs/dbraw/zinc/30/26/26/438302626.db2.gz HJDFUHQLOLEZRA-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1=CCN(C)CC1 ZINC000358825115 438309360 /nfs/dbraw/zinc/30/93/60/438309360.db2.gz LEBFGRIUKCNTIH-KGLIPLIRSA-N 1 3 338.496 0.846 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000358843646 438315108 /nfs/dbraw/zinc/31/51/08/438315108.db2.gz CEXZVEIYFMWHSS-ZIAGYGMSSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000419145877 438347030 /nfs/dbraw/zinc/34/70/30/438347030.db2.gz ASXCNCUCWGVEFL-CABCVRRESA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000419145877 438347032 /nfs/dbraw/zinc/34/70/32/438347032.db2.gz ASXCNCUCWGVEFL-CABCVRRESA-N 1 3 326.485 0.713 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000351860942 438349335 /nfs/dbraw/zinc/34/93/35/438349335.db2.gz JRPAHAGYCKVFLU-CABCVRRESA-N 1 3 332.452 0.184 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000419203246 438350944 /nfs/dbraw/zinc/35/09/44/438350944.db2.gz NZBDQNIZXNZWSN-HUUCEWRRSA-N 1 3 334.464 0.819 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000419203246 438350947 /nfs/dbraw/zinc/35/09/47/438350947.db2.gz NZBDQNIZXNZWSN-HUUCEWRRSA-N 1 3 334.464 0.819 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419373748 438354563 /nfs/dbraw/zinc/35/45/63/438354563.db2.gz MZMXSFSTYYSWPT-ZDUSSCGKSA-N 1 3 332.448 0.007 20 0 ECADHO CCCN(C(=O)C(=O)NCCN(C)[C@H](C)CC)C1CC[NH2+]CC1 ZINC000419502204 438360525 /nfs/dbraw/zinc/36/05/25/438360525.db2.gz CIIHGGJJJOMFFA-CQSZACIVSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)[C@H]1C[NH3+] ZINC000419697415 438366160 /nfs/dbraw/zinc/36/61/60/438366160.db2.gz QOOUECJCIHPQNG-FMKPAKJESA-N 1 3 336.480 0.705 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419696547 438366644 /nfs/dbraw/zinc/36/66/44/438366644.db2.gz OTSJTNWYYVALBM-TZMCWYRMSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419696547 438366646 /nfs/dbraw/zinc/36/66/46/438366646.db2.gz OTSJTNWYYVALBM-TZMCWYRMSA-N 1 3 340.468 0.206 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419701316 438368892 /nfs/dbraw/zinc/36/88/92/438368892.db2.gz TWSGFSDRGGJJOB-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1CN ZINC000419722210 438369139 /nfs/dbraw/zinc/36/91/39/438369139.db2.gz LRPSNULTZQISCU-JSGCOSHPSA-N 1 3 338.496 0.998 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000419849866 438373977 /nfs/dbraw/zinc/37/39/77/438373977.db2.gz ZRAZLEUHCQJIKB-UHFFFAOYSA-N 1 3 326.466 0.364 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419984108 438382367 /nfs/dbraw/zinc/38/23/67/438382367.db2.gz VNVTYBQDEJMYBX-CVEARBPZSA-N 1 3 336.480 0.579 20 0 ECADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420083623 438385981 /nfs/dbraw/zinc/38/59/81/438385981.db2.gz XBHNWQLTONYEFJ-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000389889636 438430549 /nfs/dbraw/zinc/43/05/49/438430549.db2.gz UXNFDYNRCRLDSD-UKRRQHHQSA-N 1 3 328.420 0.487 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCN(CC)C2CC2)CC1 ZINC000359261620 438396006 /nfs/dbraw/zinc/39/60/06/438396006.db2.gz KIKWFUNEAXIAFE-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000359302058 438407412 /nfs/dbraw/zinc/40/74/12/438407412.db2.gz DSJPOBRXGISCGG-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000421559156 438492470 /nfs/dbraw/zinc/49/24/70/438492470.db2.gz OEQURUSHJDDAGL-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000421559156 438492474 /nfs/dbraw/zinc/49/24/74/438492474.db2.gz OEQURUSHJDDAGL-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000421541694 438492581 /nfs/dbraw/zinc/49/25/81/438492581.db2.gz BQXIAVFQKVRNIQ-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000421541694 438492585 /nfs/dbraw/zinc/49/25/85/438492585.db2.gz BQXIAVFQKVRNIQ-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000437689340 438452432 /nfs/dbraw/zinc/45/24/32/438452432.db2.gz ASJCCOLKPJHXNL-KRWDZBQOSA-N 1 3 339.480 0.593 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000437689340 438452435 /nfs/dbraw/zinc/45/24/35/438452435.db2.gz ASJCCOLKPJHXNL-KRWDZBQOSA-N 1 3 339.480 0.593 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000420972314 438454185 /nfs/dbraw/zinc/45/41/85/438454185.db2.gz KHHGAWOBGZGRPA-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CCC1 ZINC000437919334 438458809 /nfs/dbraw/zinc/45/88/09/438458809.db2.gz YVAZRBOEBRYYCO-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000353641687 438519198 /nfs/dbraw/zinc/51/91/98/438519198.db2.gz GGDLAMNVDCHFCL-KRWDZBQOSA-N 1 3 325.453 0.767 20 0 ECADHO C[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000353728961 438529376 /nfs/dbraw/zinc/52/93/76/438529376.db2.gz YGYFCEBLICLZTP-HNNXBMFYSA-N 1 3 346.475 0.820 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000440976852 438573626 /nfs/dbraw/zinc/57/36/26/438573626.db2.gz IRLVZEMVGFTOIT-CVEARBPZSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000440976852 438573628 /nfs/dbraw/zinc/57/36/28/438573628.db2.gz IRLVZEMVGFTOIT-CVEARBPZSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795740 438623339 /nfs/dbraw/zinc/62/33/39/438623339.db2.gz VIGWOWMPMBKQQA-HOTGVXAUSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795740 438623343 /nfs/dbraw/zinc/62/33/43/438623343.db2.gz VIGWOWMPMBKQQA-HOTGVXAUSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795740 438623347 /nfs/dbraw/zinc/62/33/47/438623347.db2.gz VIGWOWMPMBKQQA-HOTGVXAUSA-N 1 3 331.464 0.789 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422974647 438623829 /nfs/dbraw/zinc/62/38/29/438623829.db2.gz RLNBBPXRXOCGAQ-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1CCCCN1 ZINC000422980465 438624412 /nfs/dbraw/zinc/62/44/12/438624412.db2.gz PSUGESZMSZBSTJ-ROUUACIJSA-N 1 3 326.529 0.887 20 0 ECADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)C(=O)N2CCCC2)CC[NH2+]CC1 ZINC000423102142 438638244 /nfs/dbraw/zinc/63/82/44/438638244.db2.gz NYQXEKRKXNRELM-UONOGXRCSA-N 1 3 325.453 0.908 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000423150578 438643976 /nfs/dbraw/zinc/64/39/76/438643976.db2.gz JBAPKQUPSMEXSD-OAGGEKHMSA-N 1 3 336.480 0.517 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[C@H]1C ZINC000410736551 438648101 /nfs/dbraw/zinc/64/81/01/438648101.db2.gz NZWUSUSLDQGMIG-PMPSAXMXSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[C@H]1C ZINC000410736551 438648103 /nfs/dbraw/zinc/64/81/03/438648103.db2.gz NZWUSUSLDQGMIG-PMPSAXMXSA-N 1 3 338.496 0.870 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000410780298 438655352 /nfs/dbraw/zinc/65/53/52/438655352.db2.gz QPBZHXNGLXUWLB-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410780298 438655355 /nfs/dbraw/zinc/65/53/55/438655355.db2.gz QPBZHXNGLXUWLB-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410887331 438666489 /nfs/dbraw/zinc/66/64/89/438666489.db2.gz QIKTZAPXNGTNSC-OAHLLOKOSA-N 1 3 326.485 0.728 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423415696 438674284 /nfs/dbraw/zinc/67/42/84/438674284.db2.gz PGCNSKPMZUGTCX-CABCVRRESA-N 1 3 326.485 0.763 20 0 ECADHO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000414479753 438706585 /nfs/dbraw/zinc/70/65/85/438706585.db2.gz IFXGNVGIMQMJLS-UHFFFAOYSA-N 1 3 334.464 0.976 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000423564496 438688939 /nfs/dbraw/zinc/68/89/39/438688939.db2.gz OUBLLOVEWFVPQB-MRXNPFEDSA-N 1 3 330.432 0.823 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414835636 438717961 /nfs/dbraw/zinc/71/79/61/438717961.db2.gz DQCFQLRDVPQWAE-UHFFFAOYSA-N 1 3 332.448 0.975 20 0 ECADHO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)C(=O)NCCN1CCCCC1 ZINC000574873911 438725423 /nfs/dbraw/zinc/72/54/23/438725423.db2.gz GCIQYJRNXQZZKG-NVXWUHKLSA-N 1 3 346.475 0.836 20 0 ECADHO C[C@@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)C1=CCN(C)CC1 ZINC000575732046 438753459 /nfs/dbraw/zinc/75/34/59/438753459.db2.gz CVSHGSVDGQMXJO-CYBMUJFWSA-N 1 3 345.451 0.658 20 0 ECADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000575749593 438754208 /nfs/dbraw/zinc/75/42/08/438754208.db2.gz CHDZVNFKDARJNF-WMLDXEAASA-N 1 3 340.431 0.728 20 0 ECADHO COC[C@@]1(CNC(=O)[C@@H]2CCCN2C2CCOCC2)CCC[NH2+]1 ZINC000575866962 438758714 /nfs/dbraw/zinc/75/87/14/438758714.db2.gz UXQVLZICDKZJLZ-RDJZCZTQSA-N 1 3 325.453 0.515 20 0 ECADHO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000575932071 438760696 /nfs/dbraw/zinc/76/06/96/438760696.db2.gz AHEQYRICNJPODU-TVFCKZIOSA-N 1 3 343.512 0.499 20 0 ECADHO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000575932071 438760700 /nfs/dbraw/zinc/76/07/00/438760700.db2.gz AHEQYRICNJPODU-TVFCKZIOSA-N 1 3 343.512 0.499 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N(CCO)CC3CC3)CC2)CC1 ZINC000554420690 438763433 /nfs/dbraw/zinc/76/34/33/438763433.db2.gz CJKOILRCOYJBOI-UHFFFAOYSA-N 1 3 338.496 0.959 20 0 ECADHO [NH3+]C[C@@H]1CN(CCc2nnnn2-c2ccccc2)CC12CCOCC2 ZINC000576346001 438778791 /nfs/dbraw/zinc/77/87/91/438778791.db2.gz CJHWZXXIVHTYEZ-OAHLLOKOSA-N 1 3 342.447 0.892 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCNC[C@H]1c1ccncc1 ZINC000514728539 438828936 /nfs/dbraw/zinc/82/89/36/438828936.db2.gz TUBBZCRKWMWHLX-CJNGLKHVSA-N 1 3 326.404 0.668 20 0 ECADHO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCSC1 ZINC000458518735 438895043 /nfs/dbraw/zinc/89/50/43/438895043.db2.gz RIWFSECZGRSHSZ-ZBFHGGJFSA-N 1 3 344.525 0.570 20 0 ECADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)C(=O)NC1CNC1 ZINC000515342334 438862901 /nfs/dbraw/zinc/86/29/01/438862901.db2.gz YJMFGEATDKQSJK-UHFFFAOYSA-N 1 3 344.459 0.767 20 0 ECADHO COCCN(C)C[C@H](O)C[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000577742840 438866049 /nfs/dbraw/zinc/86/60/49/438866049.db2.gz HSQOXGLKWIXWKO-WBVHZDCISA-N 1 3 329.485 0.111 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000577740178 438867735 /nfs/dbraw/zinc/86/77/35/438867735.db2.gz MNLBWSNQYKULGV-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000515694673 438879461 /nfs/dbraw/zinc/87/94/61/438879461.db2.gz UOFKULOJAKUNFS-CGZBRXJRSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCN(C2CC2)C1 ZINC000516554770 438911280 /nfs/dbraw/zinc/91/12/80/438911280.db2.gz JKEWEGHOVIDPLO-WCQYABFASA-N 1 3 349.401 0.358 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000518514635 439001431 /nfs/dbraw/zinc/00/14/31/439001431.db2.gz DTEKLAFOMZLLMY-JZAWBGDQSA-N 1 3 348.491 0.657 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000518730703 439006983 /nfs/dbraw/zinc/00/69/83/439006983.db2.gz SLVBTFJVTXUVLB-DGCLKSJQSA-N 1 3 334.420 0.501 20 0 ECADHO Cc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)nnn1C1CC[NH2+]CC1 ZINC000566188149 439020065 /nfs/dbraw/zinc/02/00/65/439020065.db2.gz UFGJCTKBPCIDHJ-DZGCQCFKSA-N 1 3 332.452 0.677 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000566237467 439028957 /nfs/dbraw/zinc/02/89/57/439028957.db2.gz PLWPPGIPQAEILK-KRWDZBQOSA-N 1 3 346.475 0.919 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000566237467 439028964 /nfs/dbraw/zinc/02/89/64/439028964.db2.gz PLWPPGIPQAEILK-KRWDZBQOSA-N 1 3 346.475 0.919 20 0 ECADHO Nc1cccc(CN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000566245726 439031064 /nfs/dbraw/zinc/03/10/64/439031064.db2.gz QVQVHZWAWRJTSI-IAGOWNOFSA-N 1 3 329.448 0.989 20 0 ECADHO CCCCN1CCC(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC000602470943 439092799 /nfs/dbraw/zinc/09/27/99/439092799.db2.gz MACKDYGEXVSWME-JOCHJYFZSA-N 1 3 329.510 0.868 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566963923 439102474 /nfs/dbraw/zinc/10/24/74/439102474.db2.gz YEWKQWAYORPHPU-BEFAXECRSA-N 1 3 348.491 0.722 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000521357232 439114901 /nfs/dbraw/zinc/11/49/01/439114901.db2.gz GJAHUIOGXGTRGG-UHFFFAOYSA-N 1 3 348.447 0.355 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000521357232 439114905 /nfs/dbraw/zinc/11/49/05/439114905.db2.gz GJAHUIOGXGTRGG-UHFFFAOYSA-N 1 3 348.447 0.355 20 0 ECADHO Fc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1-n1cncn1 ZINC000580192315 439070998 /nfs/dbraw/zinc/07/09/98/439070998.db2.gz JNYVODHQNGQNSA-OAHLLOKOSA-N 1 3 330.411 0.886 20 0 ECADHO CN(C)CCOCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000471633369 439085548 /nfs/dbraw/zinc/08/55/48/439085548.db2.gz FSHSNMIETDDDTB-OAHLLOKOSA-N 1 3 342.484 0.365 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000581142595 439175231 /nfs/dbraw/zinc/17/52/31/439175231.db2.gz GYRLQUOOKPUDGE-MRXNPFEDSA-N 1 3 332.448 0.097 20 0 ECADHO CN(C[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000568749712 439274001 /nfs/dbraw/zinc/27/40/01/439274001.db2.gz LRWQFQCUVYOMPL-SXLOBPIMSA-N 1 3 347.503 0.914 20 0 ECADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000581716436 439245796 /nfs/dbraw/zinc/24/57/96/439245796.db2.gz MFQJMLCADBSGTN-UHFFFAOYSA-N 1 3 338.477 0.507 20 0 ECADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000568491662 439250363 /nfs/dbraw/zinc/25/03/63/439250363.db2.gz YCFHKUDTBAZUKY-MCIONIFRSA-N 1 3 346.422 0.912 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000568610200 439262454 /nfs/dbraw/zinc/26/24/54/439262454.db2.gz UOYVJWNZBPKFKY-HZPDHXFCSA-N 1 3 338.496 0.955 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCCC3)C[C@H]21 ZINC000582295468 439313938 /nfs/dbraw/zinc/31/39/38/439313938.db2.gz PUUYDGKLICCQAM-YYIAUSFCSA-N 1 3 348.491 0.659 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CCO2 ZINC000569759213 439362536 /nfs/dbraw/zinc/36/25/36/439362536.db2.gz ZYPPLYWJQZSERT-UHFFFAOYSA-N 1 3 348.447 0.512 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC1CNC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582476690 439339420 /nfs/dbraw/zinc/33/94/20/439339420.db2.gz GTJAYTVKJGOGHH-HIFRSBDPSA-N 1 3 330.432 0.101 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC1CNC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582476690 439339425 /nfs/dbraw/zinc/33/94/25/439339425.db2.gz GTJAYTVKJGOGHH-HIFRSBDPSA-N 1 3 330.432 0.101 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000582559157 439352429 /nfs/dbraw/zinc/35/24/29/439352429.db2.gz JMZHMZFNWONCJS-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000582559157 439352435 /nfs/dbraw/zinc/35/24/35/439352435.db2.gz JMZHMZFNWONCJS-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccccc1CC[NH3+] ZINC000569860421 439368906 /nfs/dbraw/zinc/36/89/06/439368906.db2.gz XMLMQPMLUGEZRG-KRWDZBQOSA-N 1 3 346.475 0.860 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)(C)C ZINC000582856308 439389512 /nfs/dbraw/zinc/38/95/12/439389512.db2.gz IBQGKHCJLMYEBK-IHRRRGAJSA-N 1 3 339.484 0.306 20 0 ECADHO CN(C)C1(CNC(=O)N2CCO[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000582894116 439393963 /nfs/dbraw/zinc/39/39/63/439393963.db2.gz CTQAXDIIZFSVDN-INIZCTEOSA-N 1 3 332.448 0.455 20 0 ECADHO C[N@H+](C[C@@H](O)CNC[C@@H](CO)Cc1ccncc1Cl)C1CC1 ZINC000570213017 439403146 /nfs/dbraw/zinc/40/31/46/439403146.db2.gz TUAZSXNYBIHNLH-WFASDCNBSA-N 1 3 327.856 0.931 20 0 ECADHO C[N@@H+](C[C@@H](O)CNC[C@@H](CO)Cc1ccncc1Cl)C1CC1 ZINC000570213017 439403149 /nfs/dbraw/zinc/40/31/49/439403149.db2.gz TUAZSXNYBIHNLH-WFASDCNBSA-N 1 3 327.856 0.931 20 0 ECADHO C[C@@H](NCC(=O)N1CCNCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570035792 439386042 /nfs/dbraw/zinc/38/60/42/439386042.db2.gz USRGDETYMRYGOF-SJLPKXTDSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@@H](NCC(=O)N1CCNCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570035792 439386049 /nfs/dbraw/zinc/38/60/49/439386049.db2.gz USRGDETYMRYGOF-SJLPKXTDSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000570913030 439459321 /nfs/dbraw/zinc/45/93/21/439459321.db2.gz XUMHZOICBRQAMF-BZUAXINKSA-N 1 3 336.480 0.578 20 0 ECADHO COC(=O)C1CCN(C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000571047215 439469503 /nfs/dbraw/zinc/46/95/03/439469503.db2.gz LSKZMDINUKSTGL-CVEARBPZSA-N 1 3 337.464 0.720 20 0 ECADHO COCCN(C)C[C@H](O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000571340994 439494519 /nfs/dbraw/zinc/49/45/19/439494519.db2.gz WGLWJUDAWICWAA-YYIAUSFCSA-N 1 3 329.485 0.109 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000583743168 439505284 /nfs/dbraw/zinc/50/52/84/439505284.db2.gz PMBRKHFTVLTNKH-HNNXBMFYSA-N 1 3 330.498 0.044 20 0 ECADHO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000584226110 439564123 /nfs/dbraw/zinc/56/41/23/439564123.db2.gz OWXRDTYOJGMURI-ARFHVFGLSA-N 1 3 334.464 0.284 20 0 ECADHO CC[NH2+]CCCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000572466887 439585624 /nfs/dbraw/zinc/58/56/24/439585624.db2.gz QSBAIQLCXRHGGF-GOSISDBHSA-N 1 3 334.464 0.922 20 0 ECADHO COC[C@]1(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CCC[NH2+]1 ZINC000573562444 439653610 /nfs/dbraw/zinc/65/36/10/439653610.db2.gz IHIBQZGUJUGHGH-WRFANHODSA-N 1 3 325.453 0.404 20 0 ECADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCCC1 ZINC000595261240 439683883 /nfs/dbraw/zinc/68/38/83/439683883.db2.gz NADCCRASMHHOMV-UONOGXRCSA-N 1 3 337.468 0.204 20 0 ECADHO CCOC(=O)c1csc(CC[NH2+]C[C@@H](O)CN2CCCC2)n1 ZINC000600732729 439697275 /nfs/dbraw/zinc/69/72/75/439697275.db2.gz DVIMKKNTKSTMFB-GFCCVEGCSA-N 1 3 327.450 0.909 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000612545318 439725723 /nfs/dbraw/zinc/72/57/23/439725723.db2.gz JKSCALKSAVGXOG-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000612545318 439725725 /nfs/dbraw/zinc/72/57/25/439725725.db2.gz JKSCALKSAVGXOG-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000612025126 439743624 /nfs/dbraw/zinc/74/36/24/439743624.db2.gz ABXVRWQAJGIFHS-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000612025126 439743626 /nfs/dbraw/zinc/74/36/26/439743626.db2.gz ABXVRWQAJGIFHS-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](CO)C[NH+](C)C)CC2)c1 ZINC000614850253 439788648 /nfs/dbraw/zinc/78/86/48/439788648.db2.gz WFFMXNZBWQQSIB-KRWDZBQOSA-N 1 3 348.491 0.546 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC3(C2)CC[NH+](C)CC3)CC1=O ZINC000614963308 439791023 /nfs/dbraw/zinc/79/10/23/439791023.db2.gz FCGRWXGTZGLEDS-OAHLLOKOSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662754036 439874239 /nfs/dbraw/zinc/87/42/39/439874239.db2.gz BSWLPCDIBOGYLP-VHDGCEQUSA-N 1 3 332.452 0.805 20 0 ECADHO [NH3+]CCCCn1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)nn1 ZINC000662686439 439844966 /nfs/dbraw/zinc/84/49/66/439844966.db2.gz NGDIYHBEYXLKMZ-INIZCTEOSA-N 1 3 344.419 0.930 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652459337 439856488 /nfs/dbraw/zinc/85/64/88/439856488.db2.gz IZJCKJXWKVMQFW-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652459337 439856489 /nfs/dbraw/zinc/85/64/89/439856489.db2.gz IZJCKJXWKVMQFW-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000652704002 439933388 /nfs/dbraw/zinc/93/33/88/439933388.db2.gz DEEASZCWZIYADS-OWCLPIDISA-N 1 3 336.480 0.435 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626799889 439886788 /nfs/dbraw/zinc/88/67/88/439886788.db2.gz GZOIXGZWIOUXQK-CYBMUJFWSA-N 1 3 348.447 0.954 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652622271 439895055 /nfs/dbraw/zinc/89/50/55/439895055.db2.gz DTNWQYUNZVJFHO-CQSZACIVSA-N 1 3 338.456 0.215 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000617503938 439897742 /nfs/dbraw/zinc/89/77/42/439897742.db2.gz BIMPIBJXQBZJEX-KBPBESRZSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000617503938 439897748 /nfs/dbraw/zinc/89/77/48/439897748.db2.gz BIMPIBJXQBZJEX-KBPBESRZSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2nnn(C)c2c1 ZINC000617506940 439898502 /nfs/dbraw/zinc/89/85/02/439898502.db2.gz CUROMPSIQGQWCU-ZDUSSCGKSA-N 1 3 332.452 0.970 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2nnn(C)c2c1 ZINC000617506940 439898508 /nfs/dbraw/zinc/89/85/08/439898508.db2.gz CUROMPSIQGQWCU-ZDUSSCGKSA-N 1 3 332.452 0.970 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc(-n2cncn2)c1 ZINC000617504726 439899947 /nfs/dbraw/zinc/89/99/47/439899947.db2.gz HHBNZRMFLLHZOB-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc(-n2cncn2)c1 ZINC000617504726 439899951 /nfs/dbraw/zinc/89/99/51/439899951.db2.gz HHBNZRMFLLHZOB-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)C2)nn1 ZINC000662813569 439900806 /nfs/dbraw/zinc/90/08/06/439900806.db2.gz KXDRGZXIJZVSCN-YPMHNXCESA-N 1 3 346.357 0.442 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC2([NH3+])CCOCC2)c1 ZINC000626858602 439918161 /nfs/dbraw/zinc/91/81/61/439918161.db2.gz SUATYBZVEIGVGT-UHFFFAOYSA-N 1 3 334.420 0.311 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C)C(C)(C)C2)CC1 ZINC000641809920 439920867 /nfs/dbraw/zinc/92/08/67/439920867.db2.gz VZTLGHVQFPBUMI-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626945645 439968772 /nfs/dbraw/zinc/96/87/72/439968772.db2.gz XADSFXJFISDAPK-INIZCTEOSA-N 1 3 334.464 0.966 20 0 ECADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000626971128 439976418 /nfs/dbraw/zinc/97/64/18/439976418.db2.gz ZNQXVTQMFFDOLN-MRXNPFEDSA-N 1 3 332.448 0.804 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000642439460 439980733 /nfs/dbraw/zinc/98/07/33/439980733.db2.gz HPCMLOTZCQJUSY-JKSUJKDBSA-N 1 3 332.448 0.793 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000642439701 439981267 /nfs/dbraw/zinc/98/12/67/439981267.db2.gz NLNMGOXRAOEJLC-MJBXVCDLSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000662985340 439981358 /nfs/dbraw/zinc/98/13/58/439981358.db2.gz UQBPGFHTIJCGMD-PMPSAXMXSA-N 1 3 336.480 0.659 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626888157 439940193 /nfs/dbraw/zinc/94/01/93/439940193.db2.gz QPXCZSBOMABJFX-GXTWGEPZSA-N 1 3 348.447 0.952 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000652718895 439941503 /nfs/dbraw/zinc/94/15/03/439941503.db2.gz OXRFMPIPIWVOEE-INIZCTEOSA-N 1 3 332.448 0.575 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642104432 439948589 /nfs/dbraw/zinc/94/85/89/439948589.db2.gz MSCGDCYSFWDQGG-SJORKVTESA-N 1 3 346.475 0.534 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000642253794 439961384 /nfs/dbraw/zinc/96/13/84/439961384.db2.gz HYMPSQFQTGKVOF-KRWDZBQOSA-N 1 3 346.475 0.741 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000642911773 440060238 /nfs/dbraw/zinc/06/02/38/440060238.db2.gz YOFWHXVKYNJVND-OAGGEKHMSA-N 1 3 336.480 0.849 20 0 ECADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642950425 440068330 /nfs/dbraw/zinc/06/83/30/440068330.db2.gz POJVXKSDONFPEU-GDBMZVCRSA-N 1 3 336.480 0.707 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000642985482 440075522 /nfs/dbraw/zinc/07/55/22/440075522.db2.gz WXTPXUFQBUGIEM-FZKCQIBNSA-N 1 3 336.480 0.574 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000642982725 440075630 /nfs/dbraw/zinc/07/56/30/440075630.db2.gz PBUONFCZADQEPN-QGZVFWFLSA-N 1 3 342.443 0.603 20 0 ECADHO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000642981368 440076173 /nfs/dbraw/zinc/07/61/73/440076173.db2.gz ZMBKOSQKZWYUDN-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO C[NH+](C)CCC[C@H]1CN(C[C@H]2CCCN(C(=O)CN)C2)CCO1 ZINC000663512723 440089226 /nfs/dbraw/zinc/08/92/26/440089226.db2.gz HNLFWNXWAZLTOE-CVEARBPZSA-N 1 3 326.485 0.226 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C(=O)NCCN(C)C ZINC000627201484 440043206 /nfs/dbraw/zinc/04/32/06/440043206.db2.gz IGRGGNUEKMTFQF-KKUMJFAQSA-N 1 3 341.500 0.519 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000642893323 440051164 /nfs/dbraw/zinc/05/11/64/440051164.db2.gz CLUYJOBYTFLSSP-IAGOWNOFSA-N 1 3 344.459 0.588 20 0 ECADHO C[C@H]1CCC[N@H+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000663628374 440129952 /nfs/dbraw/zinc/12/99/52/440129952.db2.gz FMLZGXFAAOCWDK-HNNXBMFYSA-N 1 3 341.500 0.380 20 0 ECADHO C[C@H]1CCC[N@@H+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000663628374 440129956 /nfs/dbraw/zinc/12/99/56/440129956.db2.gz FMLZGXFAAOCWDK-HNNXBMFYSA-N 1 3 341.500 0.380 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)N1CCN(C)CC1 ZINC000663562337 440103127 /nfs/dbraw/zinc/10/31/27/440103127.db2.gz ZFVUYUUWORXKAO-HZPDHXFCSA-N 1 3 327.517 0.898 20 0 ECADHO CC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000643478835 440178892 /nfs/dbraw/zinc/17/88/92/440178892.db2.gz LQAVRKCZFTWKPQ-GOEBONIOSA-N 1 3 345.447 0.316 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478786 440179796 /nfs/dbraw/zinc/17/97/96/440179796.db2.gz GFQCXSQASRLKRF-HUUCEWRRSA-N 1 3 345.447 0.316 20 0 ECADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000618988980 440185583 /nfs/dbraw/zinc/18/55/83/440185583.db2.gz IQDLIXOFXGKSFT-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000643500684 440189055 /nfs/dbraw/zinc/18/90/55/440189055.db2.gz VMCTVFSBDNDVFX-GJZGRUSLSA-N 1 3 338.496 0.905 20 0 ECADHO CC1([NH3+])CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000643503512 440190012 /nfs/dbraw/zinc/19/00/12/440190012.db2.gz KRHCXIDHWXPWIA-UHFFFAOYSA-N 1 3 336.480 0.803 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643516667 440194761 /nfs/dbraw/zinc/19/47/61/440194761.db2.gz HPBWXDBJKNFVMV-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000627379350 440164126 /nfs/dbraw/zinc/16/41/26/440164126.db2.gz JPDMMIICVYSUPO-BHYGNILZSA-N 1 3 344.459 0.634 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000643592202 440214722 /nfs/dbraw/zinc/21/47/22/440214722.db2.gz VQFSMPGOKMRHIQ-QGZVFWFLSA-N 1 3 346.475 0.963 20 0 ECADHO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659073383 440225975 /nfs/dbraw/zinc/22/59/75/440225975.db2.gz NFUYQMQRNCOPQP-OAHLLOKOSA-N 1 3 348.447 0.790 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627482581 440233701 /nfs/dbraw/zinc/23/37/01/440233701.db2.gz RTVUUSDNSZDSNE-GJZGRUSLSA-N 1 3 342.484 0.060 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659081925 440234293 /nfs/dbraw/zinc/23/42/93/440234293.db2.gz YRDVNNQUGYUZSH-INIZCTEOSA-N 1 3 348.447 0.742 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659081925 440234298 /nfs/dbraw/zinc/23/42/98/440234298.db2.gz YRDVNNQUGYUZSH-INIZCTEOSA-N 1 3 348.447 0.742 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531914 440203323 /nfs/dbraw/zinc/20/33/23/440203323.db2.gz WIYWVWXPOCMBAC-IAGOWNOFSA-N 1 3 344.459 0.540 20 0 ECADHO CC1(OCC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CNC1 ZINC000648177598 440252872 /nfs/dbraw/zinc/25/28/72/440252872.db2.gz IILSIFUPJWKANP-UHFFFAOYSA-N 1 3 348.447 0.288 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664406533 440305628 /nfs/dbraw/zinc/30/56/28/440305628.db2.gz SXTGHXWMYFCERR-ZBFHGGJFSA-N 1 3 325.501 0.652 20 0 ECADHO C[NH+](C)C1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCCCC1 ZINC000659426655 440322274 /nfs/dbraw/zinc/32/22/74/440322274.db2.gz ZTFJMMQSKCQWRS-UHFFFAOYSA-N 1 3 336.440 0.705 20 0 ECADHO CN1CC[C@](O)(CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000637665925 440318666 /nfs/dbraw/zinc/31/86/66/440318666.db2.gz VFPCFILIBYBUCK-INIZCTEOSA-N 1 3 336.440 0.338 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)NCC12CC(C1)C[NH2+]2 ZINC000659481260 440338851 /nfs/dbraw/zinc/33/88/51/440338851.db2.gz WIGIPWWGTSGEMJ-KGYZHSKHSA-N 1 3 344.459 0.804 20 0 ECADHO C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664630314 440347015 /nfs/dbraw/zinc/34/70/15/440347015.db2.gz RFUUPOSFYTUPQC-JHNDHUHGSA-N 1 3 338.496 0.956 20 0 ECADHO C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000664630314 440347022 /nfs/dbraw/zinc/34/70/22/440347022.db2.gz RFUUPOSFYTUPQC-JHNDHUHGSA-N 1 3 338.496 0.956 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NC1CC[NH2+]CC1 ZINC000659504920 440347701 /nfs/dbraw/zinc/34/77/01/440347701.db2.gz LNQRKYDUOONIBA-KRWDZBQOSA-N 1 3 332.448 0.804 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N[C@@H](C[NH3+])C3CC3)ccc2[nH]c1=O ZINC000637855743 440350328 /nfs/dbraw/zinc/35/03/28/440350328.db2.gz RMVDJZQIGAYNPU-AWEZNQCLSA-N 1 3 331.420 0.771 20 0 ECADHO CN(C)CCOCCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000664732209 440366844 /nfs/dbraw/zinc/36/68/44/440366844.db2.gz SCYOMXMVBMRIOU-UHFFFAOYSA-N 1 3 326.485 0.986 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654461776 440324740 /nfs/dbraw/zinc/32/47/40/440324740.db2.gz RYFOYWNFKXAVEA-YESZJQIVSA-N 1 3 339.528 0.899 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659448419 440328092 /nfs/dbraw/zinc/32/80/92/440328092.db2.gz QPVHOBPQXOQIJI-CYBMUJFWSA-N 1 3 327.473 0.308 20 0 ECADHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCCN3CC[C@@H](O)C3)C2)cc1 ZINC000637716583 440328230 /nfs/dbraw/zinc/32/82/30/440328230.db2.gz JTLGDTCSHQCPFB-QZTJIDSGSA-N 1 3 346.475 0.935 20 0 ECADHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCCN3CC[C@@H](O)C3)C2)cc1 ZINC000637716583 440328236 /nfs/dbraw/zinc/32/82/36/440328236.db2.gz JTLGDTCSHQCPFB-QZTJIDSGSA-N 1 3 346.475 0.935 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654500145 440335191 /nfs/dbraw/zinc/33/51/91/440335191.db2.gz CNKLDFVKMDBQJC-IXDOHACOSA-N 1 3 338.496 0.815 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654500145 440335198 /nfs/dbraw/zinc/33/51/98/440335198.db2.gz CNKLDFVKMDBQJC-IXDOHACOSA-N 1 3 338.496 0.815 20 0 ECADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC3CC2(CN)C3)([NH+](C)C)C1 ZINC000659680322 440414648 /nfs/dbraw/zinc/41/46/48/440414648.db2.gz MMXAHNNRWXLROF-LHKUQTHOSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659681064 440417064 /nfs/dbraw/zinc/41/70/64/440417064.db2.gz OXNIUFXSFFLSBY-QXSJWSMHSA-N 1 3 338.496 0.809 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)c(OCCN(C)C)c1 ZINC000633040308 440418642 /nfs/dbraw/zinc/41/86/42/440418642.db2.gz WMJXBDPQQFRPIE-UONOGXRCSA-N 1 3 348.447 0.822 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000659630201 440382080 /nfs/dbraw/zinc/38/20/80/440382080.db2.gz GLKSIVOYWUNACX-YPMHNXCESA-N 1 3 336.440 0.513 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000659630201 440382086 /nfs/dbraw/zinc/38/20/86/440382086.db2.gz GLKSIVOYWUNACX-YPMHNXCESA-N 1 3 336.440 0.513 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[NH2+]1 ZINC000633010127 440406546 /nfs/dbraw/zinc/40/65/46/440406546.db2.gz HERWQWHTRRBUOM-CHWSQXEVSA-N 1 3 348.451 0.345 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)Cc1ccccc1 ZINC000659673352 440408715 /nfs/dbraw/zinc/40/87/15/440408715.db2.gz BGAWKEQOIICPIN-WUJZJPHMSA-N 1 3 344.459 0.144 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649320407 440461937 /nfs/dbraw/zinc/46/19/37/440461937.db2.gz ZNAVSGDRVBYFKO-CYBMUJFWSA-N 1 3 346.422 0.244 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638140920 440464460 /nfs/dbraw/zinc/46/44/60/440464460.db2.gz PPIBNFQATMXWAL-WMZOPIPTSA-N 1 3 347.507 0.198 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638140920 440464465 /nfs/dbraw/zinc/46/44/65/440464465.db2.gz PPIBNFQATMXWAL-WMZOPIPTSA-N 1 3 347.507 0.198 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659735069 440472342 /nfs/dbraw/zinc/47/23/42/440472342.db2.gz CPKJQUJQHYODMZ-OWCLPIDISA-N 1 3 348.491 0.863 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000659742407 440480352 /nfs/dbraw/zinc/48/03/52/440480352.db2.gz SUBMAYKXLBYNEH-JYJNAYRXSA-N 1 3 338.496 0.809 20 0 ECADHO COC[C@@]1(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCCN1 ZINC000638101276 440436362 /nfs/dbraw/zinc/43/63/62/440436362.db2.gz PEGPLTFKLZRTBQ-GOSISDBHSA-N 1 3 339.480 0.906 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633093990 440438678 /nfs/dbraw/zinc/43/86/78/440438678.db2.gz GWMKYWNXLPGOSY-OAHLLOKOSA-N 1 3 336.480 0.803 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000659704483 440439432 /nfs/dbraw/zinc/43/94/32/440439432.db2.gz NCKMWSWFVUPHJE-ZIAGYGMSSA-N 1 3 334.464 0.956 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000659708185 440440700 /nfs/dbraw/zinc/44/07/00/440440700.db2.gz OEBYASWYIDTXJH-ILXRZTDVSA-N 1 3 338.496 0.809 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638109008 440445383 /nfs/dbraw/zinc/44/53/83/440445383.db2.gz QQGKYDUNFCKIQH-KRWDZBQOSA-N 1 3 327.469 0.748 20 0 ECADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659712888 440446446 /nfs/dbraw/zinc/44/64/46/440446446.db2.gz GTOUMUHBGJNKPI-LSDHHAIUSA-N 1 3 336.480 0.768 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000659712894 440446935 /nfs/dbraw/zinc/44/69/35/440446935.db2.gz GUTWXHGDCIXCCL-GOEBONIOSA-N 1 3 332.448 0.225 20 0 ECADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CNCCC1(F)F ZINC000644131141 440450718 /nfs/dbraw/zinc/45/07/18/440450718.db2.gz KPXCNXPOLCYMGW-ZJUUUORDSA-N 1 3 344.328 0.184 20 0 ECADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659722448 440458433 /nfs/dbraw/zinc/45/84/33/440458433.db2.gz FHAVPHZBJFAUNG-KFWWJZLASA-N 1 3 336.480 0.753 20 0 ECADHO COC[C@]1(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCCCN1 ZINC000638262423 440488587 /nfs/dbraw/zinc/48/85/87/440488587.db2.gz OEVUEYBELJNLGA-PBHICJAKSA-N 1 3 325.453 0.359 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000659757341 440492594 /nfs/dbraw/zinc/49/25/94/440492594.db2.gz URZYUFVDGSOAAX-HYVNUMGLSA-N 1 3 344.459 0.443 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000659758151 440492731 /nfs/dbraw/zinc/49/27/31/440492731.db2.gz YHZYVZDPNGMZPY-LBPRGKRZSA-N 1 3 326.466 0.362 20 0 ECADHO CC[C@@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)CC[C@H]1[NH3+] ZINC000649416806 440493264 /nfs/dbraw/zinc/49/32/64/440493264.db2.gz MJXRFFVVTMXQTK-HZPDHXFCSA-N 1 3 346.479 0.575 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CN(C)C(=O)[C@H]3C)CC2)CC1 ZINC000655161209 440494646 /nfs/dbraw/zinc/49/46/46/440494646.db2.gz UPWPOCCQLSDMFD-CQSZACIVSA-N 1 3 336.480 0.829 20 0 ECADHO CCN1CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000665760862 440525102 /nfs/dbraw/zinc/52/51/02/440525102.db2.gz QMRBQQCHLIEWTM-INIZCTEOSA-N 1 3 327.517 0.996 20 0 ECADHO COCC[C@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762492 440525536 /nfs/dbraw/zinc/52/55/36/440525536.db2.gz GHTOVLIUGYPSEM-HOTGVXAUSA-N 1 3 344.500 0.705 20 0 ECADHO COCC[C@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762492 440525540 /nfs/dbraw/zinc/52/55/40/440525540.db2.gz GHTOVLIUGYPSEM-HOTGVXAUSA-N 1 3 344.500 0.705 20 0 ECADHO [NH3+]C[C@]1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CCCOC1 ZINC000638405437 440531984 /nfs/dbraw/zinc/53/19/84/440531984.db2.gz CPCCOISSCOXIEW-IEBWSBKVSA-N 1 3 347.459 0.625 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000659744766 440483052 /nfs/dbraw/zinc/48/30/52/440483052.db2.gz QINKWRXFDOSRGT-OAHLLOKOSA-N 1 3 338.452 0.659 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(CCN2C(=O)CN(C)C2=O)C1 ZINC000659978605 440557656 /nfs/dbraw/zinc/55/76/56/440557656.db2.gz GACUJFHUJNHIJM-AWEZNQCLSA-N 1 3 326.441 0.313 20 0 ECADHO C[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C1CC[NH+](C)CC1 ZINC000655576481 440593019 /nfs/dbraw/zinc/59/30/19/440593019.db2.gz OKFJJXXJPLNHIW-ZBFHGGJFSA-N 1 3 326.485 0.863 20 0 ECADHO O=C(Nc1ccc2c(c1)OCCNC2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000638669073 440598457 /nfs/dbraw/zinc/59/84/57/440598457.db2.gz XTKVXYRDXAFLFO-AWEZNQCLSA-N 1 3 342.403 0.764 20 0 ECADHO CN1CCC(O)(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638680516 440603761 /nfs/dbraw/zinc/60/37/61/440603761.db2.gz DBSJECGLISQRQU-UHFFFAOYSA-N 1 3 333.498 0.283 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000638729996 440607236 /nfs/dbraw/zinc/60/72/36/440607236.db2.gz WHPSSGCJBVDCQO-MRXNPFEDSA-N 1 3 339.480 0.858 20 0 ECADHO C[C@H]1CN(CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CCCO1 ZINC000655929738 440650051 /nfs/dbraw/zinc/65/00/51/440650051.db2.gz WGGOHKGFBQLVIK-QWRGUYRKSA-N 1 3 326.363 0.676 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000655973835 440663388 /nfs/dbraw/zinc/66/33/88/440663388.db2.gz JDAPREMXAAXGEY-BRWVUGGUSA-N 1 3 335.496 0.692 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655917841 440643135 /nfs/dbraw/zinc/64/31/35/440643135.db2.gz XWILYOFRYUXQSL-MNOVXSKESA-N 1 3 326.363 0.628 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCC[NH2+]C1 ZINC000656024357 440694219 /nfs/dbraw/zinc/69/42/19/440694219.db2.gz KZHHHFCSYJHUGR-RKVPGOIHSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000656028715 440700619 /nfs/dbraw/zinc/70/06/19/440700619.db2.gz PIBQYGPKQNVBBY-RVKKMQEKSA-N 1 3 334.464 0.332 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)C[C@H]21 ZINC000656028672 440701077 /nfs/dbraw/zinc/70/10/77/440701077.db2.gz OJYWSYFIQJIDIY-WRQOLXDDSA-N 1 3 348.491 0.705 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000656028531 440700354 /nfs/dbraw/zinc/70/03/54/440700354.db2.gz MAIWIQKOMMESKF-ZJIFWQFVSA-N 1 3 334.464 0.330 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656066906 440705759 /nfs/dbraw/zinc/70/57/59/440705759.db2.gz OPLPPQUJYRCJSE-OFQRWUPVSA-N 1 3 338.496 0.632 20 0 ECADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656300298 440755430 /nfs/dbraw/zinc/75/54/30/440755430.db2.gz NVNKXHNHPPNPMX-TWMKSMIVSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656300298 440755434 /nfs/dbraw/zinc/75/54/34/440755434.db2.gz NVNKXHNHPPNPMX-TWMKSMIVSA-N 1 3 348.491 0.863 20 0 ECADHO NC(=O)c1ccccc1N1CC[C@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000629560119 440728110 /nfs/dbraw/zinc/72/81/10/440728110.db2.gz DDMMWVXTUQHFEG-LSDHHAIUSA-N 1 3 332.448 0.411 20 0 ECADHO O[C@H](C[NH2+][C@H](Cc1ccccc1)CN1CCOCC1)CN1CCCC1 ZINC000629560594 440728185 /nfs/dbraw/zinc/72/81/85/440728185.db2.gz FXIDABIBUNKSMI-WOJBJXKFSA-N 1 3 347.503 0.976 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NCCC[NH+](C)C)ccc2[nH]c1=O ZINC000635070431 440744646 /nfs/dbraw/zinc/74/46/46/440744646.db2.gz UUORRKWMDFOWHN-UHFFFAOYSA-N 1 3 333.436 0.985 20 0 ECADHO CN(C)CCN1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1=O ZINC000651164510 440761379 /nfs/dbraw/zinc/76/13/79/440761379.db2.gz WMBCIVZACJHEMZ-UHFFFAOYSA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000645204918 440763000 /nfs/dbraw/zinc/76/30/00/440763000.db2.gz ACTOLEDVHKEASE-ILXRZTDVSA-N 1 3 337.468 0.375 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000645204918 440763006 /nfs/dbraw/zinc/76/30/06/440763006.db2.gz ACTOLEDVHKEASE-ILXRZTDVSA-N 1 3 337.468 0.375 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629794676 440763665 /nfs/dbraw/zinc/76/36/65/440763665.db2.gz URCVWMJVHVLOJD-HDICACEKSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1C ZINC000629798703 440766497 /nfs/dbraw/zinc/76/64/97/440766497.db2.gz BQMYFKDPHNJPRF-DTDBQYNISA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629797866 440766603 /nfs/dbraw/zinc/76/66/03/440766603.db2.gz GIKTYOGOULOMAY-NONVJHHQSA-N 1 3 336.480 0.243 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629799672 440767805 /nfs/dbraw/zinc/76/78/05/440767805.db2.gz UAARDWLRUAILKM-HDICACEKSA-N 1 3 348.491 0.531 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000645262661 440773984 /nfs/dbraw/zinc/77/39/84/440773984.db2.gz IPEQFNJDJWMYGV-GJZGRUSLSA-N 1 3 339.484 0.478 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000645262661 440773988 /nfs/dbraw/zinc/77/39/88/440773988.db2.gz IPEQFNJDJWMYGV-GJZGRUSLSA-N 1 3 339.484 0.478 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645273398 440774986 /nfs/dbraw/zinc/77/49/86/440774986.db2.gz IHGHXXZIWPNCRG-UMVBOHGHSA-N 1 3 337.468 0.231 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645273398 440774991 /nfs/dbraw/zinc/77/49/91/440774991.db2.gz IHGHXXZIWPNCRG-UMVBOHGHSA-N 1 3 337.468 0.231 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(=O)n(C)cn1 ZINC000635464874 440858951 /nfs/dbraw/zinc/85/89/51/440858951.db2.gz LHCUWFFUTXVKFA-AWEZNQCLSA-N 1 3 335.452 0.268 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(=O)n(C)cn1 ZINC000635464874 440858956 /nfs/dbraw/zinc/85/89/56/440858956.db2.gz LHCUWFFUTXVKFA-AWEZNQCLSA-N 1 3 335.452 0.268 20 0 ECADHO COCCCNC(=O)C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662253792 440993162 /nfs/dbraw/zinc/99/31/62/440993162.db2.gz WOWYHFDQDDMSIA-OAHLLOKOSA-N 1 3 325.453 0.372 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662251374 440995073 /nfs/dbraw/zinc/99/50/73/440995073.db2.gz AWACCDBDVYDXTI-KFWWJZLASA-N 1 3 325.453 0.371 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662251374 440995075 /nfs/dbraw/zinc/99/50/75/440995075.db2.gz AWACCDBDVYDXTI-KFWWJZLASA-N 1 3 325.453 0.371 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000646187578 441020888 /nfs/dbraw/zinc/02/08/88/441020888.db2.gz FJJGMAITGVWATD-MJBXVCDLSA-N 1 3 327.473 0.354 20 0 ECADHO CN1CCC(CNC(=O)C2(C[NH+](C)C)CC2)(N2CCOCC2)CC1 ZINC000636023489 441068846 /nfs/dbraw/zinc/06/88/46/441068846.db2.gz LTTUVNLVYZIBJF-UHFFFAOYSA-N 1 3 338.496 0.241 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)c3cc4c(s3)CCNC4)C[C@H]2[NH3+])cn1 ZINC000662580000 441072168 /nfs/dbraw/zinc/07/21/68/441072168.db2.gz MCMBCXWFZYROBQ-QWHCGFSZSA-N 1 3 331.445 0.694 20 0 ECADHO COCCN1CCC(NC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662412310 441033325 /nfs/dbraw/zinc/03/33/25/441033325.db2.gz MKDJNMOAECFMPL-UHFFFAOYSA-N 1 3 336.436 0.982 20 0 ECADHO O=C(Cn1cc(C[C@H]2CC[NH2+]C2)nn1)NC1CCN(C2CC2)CC1 ZINC000641002439 441045116 /nfs/dbraw/zinc/04/51/16/441045116.db2.gz DSFBXTSXIXGISC-CYBMUJFWSA-N 1 3 332.452 0.173 20 0 ECADHO CCO[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000652356557 441056359 /nfs/dbraw/zinc/05/63/59/441056359.db2.gz RXPWWCKRQJYZEQ-KZNAEPCWSA-N 1 3 348.491 0.701 20 0 ECADHO COCCCNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346581 441057111 /nfs/dbraw/zinc/05/71/11/441057111.db2.gz ARLBMBXTLPODOG-VGWMRTNUSA-N 1 3 327.469 0.746 20 0 ECADHO CCS(=O)(=O)NCCCN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363941 441060270 /nfs/dbraw/zinc/06/02/70/441060270.db2.gz SQBNFTVJULVYQQ-ZNMIVQPWSA-N 1 3 333.498 0.677 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCn2nc3ccccn3c2=O)C1 ZINC000652362123 441061373 /nfs/dbraw/zinc/06/13/73/441061373.db2.gz YKAGBIMVIUDHBD-PMPSAXMXSA-N 1 3 345.447 0.857 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](CN)OC)c1 ZINC000290043763 320677472 /nfs/dbraw/zinc/67/74/72/320677472.db2.gz STARIPBRQRCATO-OAHLLOKOSA-N 1 3 336.436 0.670 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000332403618 320900518 /nfs/dbraw/zinc/90/05/18/320900518.db2.gz OBQWPAZSWYDAHQ-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000339581176 320987407 /nfs/dbraw/zinc/98/74/07/320987407.db2.gz MWOWDZKLWGRVPL-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000340219730 321024403 /nfs/dbraw/zinc/02/44/03/321024403.db2.gz YYHJLFAOYRSFEA-CVEARBPZSA-N 1 3 338.496 0.683 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000340219730 321024404 /nfs/dbraw/zinc/02/44/04/321024404.db2.gz YYHJLFAOYRSFEA-CVEARBPZSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000340258994 321031098 /nfs/dbraw/zinc/03/10/98/321031098.db2.gz JETIQQDFRXGIOW-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000340258994 321031100 /nfs/dbraw/zinc/03/11/00/321031100.db2.gz JETIQQDFRXGIOW-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000340264185 321032434 /nfs/dbraw/zinc/03/24/34/321032434.db2.gz ZUHLAXAIUXYOCY-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000340264185 321032436 /nfs/dbraw/zinc/03/24/36/321032436.db2.gz ZUHLAXAIUXYOCY-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000340266987 321032976 /nfs/dbraw/zinc/03/29/76/321032976.db2.gz GSYCAFHKQMJLKV-SQWLQELKSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000340267347 321033155 /nfs/dbraw/zinc/03/31/55/321033155.db2.gz OQGIUDAKKQTBGH-OAGGEKHMSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2C)CC1 ZINC000344523281 321153810 /nfs/dbraw/zinc/15/38/10/321153810.db2.gz XICZWTOZYYMTFI-OAHLLOKOSA-N 1 3 339.484 0.323 20 0 ECADHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)[C@@H](C)C1 ZINC000345208655 321179000 /nfs/dbraw/zinc/17/90/00/321179000.db2.gz AGIRHCMYBKWHBM-GXTWGEPZSA-N 1 3 330.454 0.414 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CCN1C ZINC000347957386 321259137 /nfs/dbraw/zinc/25/91/37/321259137.db2.gz APOYVSCGWVDYHU-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CO[C@@H](CN)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000353465164 321392777 /nfs/dbraw/zinc/39/27/77/321392777.db2.gz CXFCASYWHNOFRD-INIZCTEOSA-N 1 3 348.447 0.339 20 0 ECADHO CO[C@H](CN)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000353471022 321393143 /nfs/dbraw/zinc/39/31/43/321393143.db2.gz RJSPNDHVSPNTKF-QGZVFWFLSA-N 1 3 340.512 0.615 20 0 ECADHO CC(=O)N1CCC(CCC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000531357498 322039265 /nfs/dbraw/zinc/03/92/65/322039265.db2.gz KCRDVOOCTBQVQC-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO C[C@@H](OCC(=O)N(CCN(C)C)CC[NH+](C)C)c1nccn1C ZINC000554579269 322174276 /nfs/dbraw/zinc/17/42/76/322174276.db2.gz ZRRJVLBNDLKLLS-CQSZACIVSA-N 1 3 325.457 0.450 20 0 ECADHO Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000559332086 322218515 /nfs/dbraw/zinc/21/85/15/322218515.db2.gz XHSNUQSARGAALW-UHFFFAOYSA-N 1 3 334.464 0.563 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCSC(C)(C)C1 ZINC000560637455 322248177 /nfs/dbraw/zinc/24/81/77/322248177.db2.gz AURKIWLKDJRWRH-UHFFFAOYSA-N 1 3 344.525 0.292 20 0 ECADHO C[C@H]1CCCCN1CCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000561052346 322253013 /nfs/dbraw/zinc/25/30/13/322253013.db2.gz OGLCBMNLXLRWKU-AWEZNQCLSA-N 1 3 347.467 0.882 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)Cc1ccccc1 ZINC000562828349 322286993 /nfs/dbraw/zinc/28/69/93/322286993.db2.gz JKTYYNDKVUOQNM-MRXNPFEDSA-N 1 3 332.448 0.144 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000563076083 322296314 /nfs/dbraw/zinc/29/63/14/322296314.db2.gz HKSHIAKIBYWUSQ-SJORKVTESA-N 1 3 349.479 0.630 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH2+]C2CC2)CC1=O ZINC000563206024 322304347 /nfs/dbraw/zinc/30/43/47/322304347.db2.gz ITMRUBBQGYBBNH-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)OCCN1CCC([NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC000563528933 322325832 /nfs/dbraw/zinc/32/58/32/322325832.db2.gz OSGZKWBRWYXCDU-SFHVURJKSA-N 1 3 342.528 0.074 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])o1 ZINC000563624173 322334508 /nfs/dbraw/zinc/33/45/08/322334508.db2.gz LVEMTAPNBNVGPH-CHWSQXEVSA-N 1 3 338.452 0.720 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C[C@H]2N)cn1 ZINC000564841797 322398053 /nfs/dbraw/zinc/39/80/53/322398053.db2.gz LXTRPYCKAWDSDV-RRFJBIMHSA-N 1 3 334.468 0.634 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000566724270 322550543 /nfs/dbraw/zinc/55/05/43/322550543.db2.gz DUGJMANNDOJOGY-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCN1CCCCC1=O ZINC000569057547 322641803 /nfs/dbraw/zinc/64/18/03/322641803.db2.gz ZJKQLMRKSULNLH-UHFFFAOYSA-N 1 3 341.500 0.524 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000570159904 322677916 /nfs/dbraw/zinc/67/79/16/322677916.db2.gz QTSXTKAUWCPVQC-UGUYLWEFSA-N 1 3 325.501 0.780 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000571821669 322734667 /nfs/dbraw/zinc/73/46/67/322734667.db2.gz QPRBKHMIWFMVCP-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CCC(C[NH2+]C[C@@](C)(O)C(F)(F)F)(N2CCOCC2)CC1 ZINC000573438187 322761693 /nfs/dbraw/zinc/76/16/93/322761693.db2.gz DKGKGQCEBCELMO-CYBMUJFWSA-N 1 3 339.402 0.686 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574585692 322782067 /nfs/dbraw/zinc/78/20/67/322782067.db2.gz FIFDMPYUTWICKR-MAUKXSAKSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000126753195 545771416 /nfs/dbraw/zinc/77/14/16/545771416.db2.gz LHFYVHFURPUMSE-OAGGEKHMSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000126753195 545771424 /nfs/dbraw/zinc/77/14/24/545771424.db2.gz LHFYVHFURPUMSE-OAGGEKHMSA-N 1 3 337.512 0.794 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000343019530 546093269 /nfs/dbraw/zinc/09/32/69/546093269.db2.gz ZMWRZLREMKIVFD-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)C2 ZINC000622027440 546609656 /nfs/dbraw/zinc/60/96/56/546609656.db2.gz CAGMOITXVPYKCK-VKJFTORMSA-N 1 3 334.464 0.413 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000622163095 546640893 /nfs/dbraw/zinc/64/08/93/546640893.db2.gz ILZSUBWALAKREX-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000622163095 546640899 /nfs/dbraw/zinc/64/08/99/546640899.db2.gz ILZSUBWALAKREX-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000623395355 546783257 /nfs/dbraw/zinc/78/32/57/546783257.db2.gz IMNNNTRIQFSCAF-UONOGXRCSA-N 1 3 325.457 0.232 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000623395355 546783260 /nfs/dbraw/zinc/78/32/60/546783260.db2.gz IMNNNTRIQFSCAF-UONOGXRCSA-N 1 3 325.457 0.232 20 0 ECADHO C[NH2+]CCOCCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000625866358 547243265 /nfs/dbraw/zinc/24/32/65/547243265.db2.gz IOBYOXQVFOATHK-UHFFFAOYSA-N 1 3 338.456 0.816 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000661036788 547449362 /nfs/dbraw/zinc/44/93/62/547449362.db2.gz MDMRILLASBZBKG-JKSUJKDBSA-N 1 3 325.501 0.796 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000661036788 547449365 /nfs/dbraw/zinc/44/93/65/547449365.db2.gz MDMRILLASBZBKG-JKSUJKDBSA-N 1 3 325.501 0.796 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667266298 547492196 /nfs/dbraw/zinc/49/21/96/547492196.db2.gz SUHHCVOXVQUDFH-HNNXBMFYSA-N 1 3 332.448 0.988 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)c(OCCN(C)C)c1 ZINC000667296582 547497436 /nfs/dbraw/zinc/49/74/36/547497436.db2.gz KZXYHSPJBROONT-UHFFFAOYSA-N 1 3 348.447 0.742 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000667404188 547516165 /nfs/dbraw/zinc/51/61/65/547516165.db2.gz FGVUVNVWRVKUOT-CJNGLKHVSA-N 1 3 348.447 0.570 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000667559365 547531294 /nfs/dbraw/zinc/53/12/94/547531294.db2.gz KSNLSCNYOOLLCJ-AWEZNQCLSA-N 1 3 348.447 0.953 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000668362161 547634828 /nfs/dbraw/zinc/63/48/28/547634828.db2.gz RMULZVDECKYLIL-HNNXBMFYSA-N 1 3 338.496 0.964 20 0 ECADHO CO[C@H]1CS(=O)(=O)C[C@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000668506565 547673368 /nfs/dbraw/zinc/67/33/68/547673368.db2.gz KPZIFOAARYXMRG-CABCVRRESA-N 1 3 325.434 0.452 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668558875 547686998 /nfs/dbraw/zinc/68/69/98/547686998.db2.gz WKDIQVHFEZKFFZ-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668558875 547686999 /nfs/dbraw/zinc/68/69/99/547686999.db2.gz WKDIQVHFEZKFFZ-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000668634629 547706928 /nfs/dbraw/zinc/70/69/28/547706928.db2.gz AOQVHALYHNPCRP-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)ccn1 ZINC000669547116 547904738 /nfs/dbraw/zinc/90/47/38/547904738.db2.gz FSZQFLWMDMENAJ-OAHLLOKOSA-N 1 3 335.452 0.963 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C1CC1 ZINC000670442116 548011065 /nfs/dbraw/zinc/01/10/65/548011065.db2.gz MNUXEBMXLIEXOC-AYDFFVQHSA-N 1 3 334.464 0.423 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C1CC1 ZINC000670442116 548011072 /nfs/dbraw/zinc/01/10/72/548011072.db2.gz MNUXEBMXLIEXOC-AYDFFVQHSA-N 1 3 334.464 0.423 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000670782929 548047481 /nfs/dbraw/zinc/04/74/81/548047481.db2.gz XXGAKMIVPDSMBO-OAHLLOKOSA-N 1 3 334.464 0.330 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000670783698 548049117 /nfs/dbraw/zinc/04/91/17/548049117.db2.gz NWWWFYCXWPJLDM-CZUORRHYSA-N 1 3 334.464 0.425 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671181480 548107027 /nfs/dbraw/zinc/10/70/27/548107027.db2.gz KEXDVVOIQNOQIS-NCOADZHNSA-N 1 3 348.491 0.815 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671181480 548107031 /nfs/dbraw/zinc/10/70/31/548107031.db2.gz KEXDVVOIQNOQIS-NCOADZHNSA-N 1 3 348.491 0.815 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671182606 548108315 /nfs/dbraw/zinc/10/83/15/548108315.db2.gz WKPBGVBQGZVCED-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671182606 548108318 /nfs/dbraw/zinc/10/83/18/548108318.db2.gz WKPBGVBQGZVCED-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672011162 548255080 /nfs/dbraw/zinc/25/50/80/548255080.db2.gz HCAOUMHMOUFFRZ-DZKIICNBSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000672098803 548268875 /nfs/dbraw/zinc/26/88/75/548268875.db2.gz GSJZNZNHDPRAKQ-HNNXBMFYSA-N 1 3 347.463 0.577 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000672098803 548268878 /nfs/dbraw/zinc/26/88/78/548268878.db2.gz GSJZNZNHDPRAKQ-HNNXBMFYSA-N 1 3 347.463 0.577 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310005 548306083 /nfs/dbraw/zinc/30/60/83/548306083.db2.gz CFFZMATZMVPJNM-XPKDYRNWSA-N 1 3 334.464 0.186 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310005 548306088 /nfs/dbraw/zinc/30/60/88/548306088.db2.gz CFFZMATZMVPJNM-XPKDYRNWSA-N 1 3 334.464 0.186 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000672690207 548370722 /nfs/dbraw/zinc/37/07/22/548370722.db2.gz PLQBHHQWSIXACN-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000673123280 548448158 /nfs/dbraw/zinc/44/81/58/548448158.db2.gz YMQHIQQPOHNUNT-AKBNIOSXSA-N 1 3 348.491 0.813 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000673123280 548448165 /nfs/dbraw/zinc/44/81/65/548448165.db2.gz YMQHIQQPOHNUNT-AKBNIOSXSA-N 1 3 348.491 0.813 20 0 ECADHO C[NH+](C)C[C@@H](CO)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000673519963 548508131 /nfs/dbraw/zinc/50/81/31/548508131.db2.gz GYCKXBFDQGOWNO-INIZCTEOSA-N 1 3 334.464 0.237 20 0 ECADHO COC1CCN(CCNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000674316642 548614841 /nfs/dbraw/zinc/61/48/41/548614841.db2.gz FEAQVZIHAIFMAC-UHFFFAOYSA-N 1 3 338.456 0.677 20 0 ECADHO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000677860015 548961816 /nfs/dbraw/zinc/96/18/16/548961816.db2.gz LSJSDABQCRJDCO-DLBZAZTESA-N 1 3 336.480 0.090 20 0 ECADHO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000677860015 548961819 /nfs/dbraw/zinc/96/18/19/548961819.db2.gz LSJSDABQCRJDCO-DLBZAZTESA-N 1 3 336.480 0.090 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000680835315 549196641 /nfs/dbraw/zinc/19/66/41/549196641.db2.gz LNABJMZCSYXAQQ-SFHVURJKSA-N 1 3 347.463 0.664 20 0 ECADHO COC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000684004311 549547507 /nfs/dbraw/zinc/54/75/07/549547507.db2.gz ZAIBYQWCZCXIES-HUUCEWRRSA-N 1 3 330.473 0.315 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793705668 578936291 /nfs/dbraw/zinc/93/62/91/578936291.db2.gz AWGXHLGZHYKTPN-JKSUJKDBSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)N1CCCCC1 ZINC000793713716 578936895 /nfs/dbraw/zinc/93/68/95/578936895.db2.gz AHQQEQGETGRNJN-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)N1CCCCC1 ZINC000793713716 578936897 /nfs/dbraw/zinc/93/68/97/578936897.db2.gz AHQQEQGETGRNJN-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000841787709 589000684 /nfs/dbraw/zinc/00/06/84/589000684.db2.gz ACACCVKVDHKURH-IXDOHACOSA-N 1 3 336.480 0.881 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](F)C(=O)OC ZINC000891273517 586158551 /nfs/dbraw/zinc/15/85/51/586158551.db2.gz HDTPSDKVJHAISE-KGLIPLIRSA-N 1 3 346.447 0.555 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](F)C(=O)OC ZINC000891273517 586158552 /nfs/dbraw/zinc/15/85/52/586158552.db2.gz HDTPSDKVJHAISE-KGLIPLIRSA-N 1 3 346.447 0.555 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891341055 586163515 /nfs/dbraw/zinc/16/35/15/586163515.db2.gz YNXUQFPMBZBLOR-SHTZXODSSA-N 1 3 325.501 0.829 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000891536941 586174860 /nfs/dbraw/zinc/17/48/60/586174860.db2.gz XKFGYCLPRQTEEO-HIFRSBDPSA-N 1 3 339.484 0.498 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000895319694 586176197 /nfs/dbraw/zinc/17/61/97/586176197.db2.gz QPLHHPYYWLFSHZ-BRWVUGGUSA-N 1 3 338.496 0.959 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000895319694 586176199 /nfs/dbraw/zinc/17/61/99/586176199.db2.gz QPLHHPYYWLFSHZ-BRWVUGGUSA-N 1 3 338.496 0.959 20 0 ECADHO CCC1([NH3+])CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000891580547 586179620 /nfs/dbraw/zinc/17/96/20/586179620.db2.gz XSNDWWWLJHQDNE-UHFFFAOYSA-N 1 3 325.501 0.927 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)NCCN3CC[NH2+]CC3)C2)cc1 ZINC000891972168 586210511 /nfs/dbraw/zinc/21/05/11/586210511.db2.gz ALESVXLSZADQGK-SFHVURJKSA-N 1 3 345.491 0.774 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000891988802 586212555 /nfs/dbraw/zinc/21/25/55/586212555.db2.gz UZVGKDBMNZXFNX-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000892090496 586220779 /nfs/dbraw/zinc/22/07/79/586220779.db2.gz ALSDPXXOWKNCHV-ZBFHGGJFSA-N 1 3 326.485 0.984 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896139206 586223399 /nfs/dbraw/zinc/22/33/99/586223399.db2.gz YXIZAVVAKYRTEI-MRXNPFEDSA-N 1 3 325.453 0.324 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000892167212 586225890 /nfs/dbraw/zinc/22/58/90/586225890.db2.gz CWACKTFPZLRAMV-MRXNPFEDSA-N 1 3 342.484 0.365 20 0 ECADHO CN1CCC(O)(CNC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000892400064 586263035 /nfs/dbraw/zinc/26/30/35/586263035.db2.gz KUNYZCKHVWNTNB-MRXNPFEDSA-N 1 3 334.464 0.702 20 0 ECADHO CC(C)[NH+]1CCC(CCNC(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000892501116 586269843 /nfs/dbraw/zinc/26/98/43/586269843.db2.gz KFTXDTGKAOKCMS-INIZCTEOSA-N 1 3 325.501 0.781 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000892524111 586271356 /nfs/dbraw/zinc/27/13/56/586271356.db2.gz QXMBEOFJWRURMX-UHFFFAOYSA-N 1 3 345.451 0.819 20 0 ECADHO CC[NH+](CC)CCN(CCOC)C(=O)C1CN(C2CCOCC2)C1 ZINC000896936615 586278563 /nfs/dbraw/zinc/27/85/63/586278563.db2.gz WACVSCWMOINCIY-UHFFFAOYSA-N 1 3 341.496 0.914 20 0 ECADHO CN1CC[C@]2(CCN(C(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)C1 ZINC000892759464 586288563 /nfs/dbraw/zinc/28/85/63/586288563.db2.gz ONIUIPPNHBVGOG-QAPCUYQASA-N 1 3 336.480 0.882 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000893239139 586318693 /nfs/dbraw/zinc/31/86/93/586318693.db2.gz RZCDTQUSYZDUFW-BRWVUGGUSA-N 1 3 337.512 0.606 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000893239139 586318695 /nfs/dbraw/zinc/31/86/95/586318695.db2.gz RZCDTQUSYZDUFW-BRWVUGGUSA-N 1 3 337.512 0.606 20 0 ECADHO Cc1ccn2ncnc2c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000888199424 586321150 /nfs/dbraw/zinc/32/11/50/586321150.db2.gz WWWAUXZENBXFFX-UHFFFAOYSA-N 1 3 333.440 0.995 20 0 ECADHO O=C(N[C@@H]1CCCN(CCCO)C1)C1C[NH+](C2CCOCC2)C1 ZINC000897881482 586378715 /nfs/dbraw/zinc/37/87/15/586378715.db2.gz WABXEIGEJLQJOV-OAHLLOKOSA-N 1 3 325.453 0.060 20 0 ECADHO COC(=O)[C@H]1CC[C@H](NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000894854072 586415777 /nfs/dbraw/zinc/41/57/77/586415777.db2.gz CMHLOOMEFLKQFG-GJZGRUSLSA-N 1 3 325.453 0.910 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCCCCC[NH3+])N1CCC(C)CC1 ZINC000843261566 589058071 /nfs/dbraw/zinc/05/80/71/589058071.db2.gz KOMRCIGCGNYTHI-OAHLLOKOSA-N 1 3 326.485 0.858 20 0 ECADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C(=O)C12CCN(CC1)C2 ZINC000900648583 586651207 /nfs/dbraw/zinc/65/12/07/586651207.db2.gz HVXXQPYEYPPKOT-CQSZACIVSA-N 1 3 334.464 0.141 20 0 ECADHO CC(C)[NH+]1CCN(CCC(=O)NC[C@H](C)N2CCN(C)CC2)CC1 ZINC000900694632 586653576 /nfs/dbraw/zinc/65/35/76/586653576.db2.gz FMWHVDFOLCQLHT-KRWDZBQOSA-N 1 3 339.528 0.155 20 0 ECADHO C[C@H]([NH2+]CC1(N)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000902415053 586738591 /nfs/dbraw/zinc/73/85/91/586738591.db2.gz KCZYLPLBARQAHP-ZDUSSCGKSA-N 1 3 339.461 0.849 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCN(CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903447076 586776628 /nfs/dbraw/zinc/77/66/28/586776628.db2.gz CUCVWXZLVZFEFX-KGLIPLIRSA-N 1 3 331.416 0.968 20 0 ECADHO CCC(CC)NC(=O)[C@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493690 586779500 /nfs/dbraw/zinc/77/95/00/586779500.db2.gz ZTMMITXIPJNABB-JRATXPSKSA-N 1 3 325.453 0.892 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NC1CCC(C)CC1)C2 ZINC000903493441 586779569 /nfs/dbraw/zinc/77/95/69/586779569.db2.gz XUGLNHFKSYSSBE-NIJMMLNUSA-N 1 3 337.464 0.894 20 0 ECADHO CNC(=O)c1cccc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1 ZINC000903492648 586779644 /nfs/dbraw/zinc/77/96/44/586779644.db2.gz IMRBNAUMJZNYKE-DAYGRLMNSA-N 1 3 331.416 0.759 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@@H]1N ZINC000903720943 586801627 /nfs/dbraw/zinc/80/16/27/586801627.db2.gz URQMASGFVBSPQV-HNNXBMFYSA-N 1 3 336.480 0.517 20 0 ECADHO CS(=O)(=O)NCC[C@@H]1CCCCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725454 586802330 /nfs/dbraw/zinc/80/23/30/586802330.db2.gz ZVVBAKUYQGPWJH-HRCADAONSA-N 1 3 345.509 0.549 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903746544 586804345 /nfs/dbraw/zinc/80/43/45/586804345.db2.gz CMSPHRLXMGNEAM-AWEZNQCLSA-N 1 3 336.436 0.366 20 0 ECADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790335 586812961 /nfs/dbraw/zinc/81/29/61/586812961.db2.gz CGPKZPCMKIVXAG-ZIAGYGMSSA-N 1 3 338.496 0.796 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903777657 586814282 /nfs/dbraw/zinc/81/42/82/586814282.db2.gz CTODHTGPGUZPRF-DZGCQCFKSA-N 1 3 345.447 0.314 20 0 ECADHO CN1CCC[C@H](N2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000903893856 586823770 /nfs/dbraw/zinc/82/37/70/586823770.db2.gz ZWJGMJFLUWQPKB-SJORKVTESA-N 1 3 347.511 0.414 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000903898239 586824336 /nfs/dbraw/zinc/82/43/36/586824336.db2.gz MUAKUBGEFWRUEJ-HOTGVXAUSA-N 1 3 334.468 0.357 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCNC[C@H]1c1ccncc1 ZINC000903915845 586827552 /nfs/dbraw/zinc/82/75/52/586827552.db2.gz CHZFXKYNWPHSQI-WBVHZDCISA-N 1 3 327.436 0.744 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@@]43CN)CC[C@@H]21 ZINC000904970825 586851345 /nfs/dbraw/zinc/85/13/45/586851345.db2.gz HYCYYNMQUWAZJP-ZXFNITATSA-N 1 3 334.464 0.269 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@@]43CN)CC[C@@H]21 ZINC000904970825 586851347 /nfs/dbraw/zinc/85/13/47/586851347.db2.gz HYCYYNMQUWAZJP-ZXFNITATSA-N 1 3 334.464 0.269 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]2CC[C@]21CN ZINC000904971871 586851373 /nfs/dbraw/zinc/85/13/73/586851373.db2.gz KBGFPQFUJCIETE-KDOFPFPSSA-N 1 3 338.496 0.763 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000904971030 586851375 /nfs/dbraw/zinc/85/13/75/586851375.db2.gz ICKYVXUHXDDFPA-FRQCXROJSA-N 1 3 348.491 0.803 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000904971036 586851386 /nfs/dbraw/zinc/85/13/86/586851386.db2.gz ICKYVXUHXDDFPA-TXPKVOOTSA-N 1 3 348.491 0.803 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32CN)CC1 ZINC000904971901 586851730 /nfs/dbraw/zinc/85/17/30/586851730.db2.gz KHDZELYMNXVRES-RDTXWAMCSA-N 1 3 336.480 0.705 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC[C@@H](O)C[C@@]2(O)CCOC2)c1 ZINC000905089743 586867959 /nfs/dbraw/zinc/86/79/59/586867959.db2.gz PVWUCDMUCQJIAI-WMZOPIPTSA-N 1 3 338.448 0.619 20 0 ECADHO [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000906652144 586961584 /nfs/dbraw/zinc/96/15/84/586961584.db2.gz YDQQPPGOCIQUFU-KBPBESRZSA-N 1 3 332.404 0.063 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2C[C@@H](C)N(CCOC)[C@@H](C)C2)CC1 ZINC000844021351 589089389 /nfs/dbraw/zinc/08/93/89/589089389.db2.gz JJDMLANLNQGDLF-CALCHBBNSA-N 1 3 340.512 0.582 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)N1CCCCC1 ZINC000817767325 587383372 /nfs/dbraw/zinc/38/33/72/587383372.db2.gz QYIMZQJPTBHGOA-QQFBHYJXSA-N 1 3 338.496 0.966 20 0 ECADHO C[NH+](C)CCOc1ccc(CCC(=O)NCCN2CC[C@H](O)C2)cc1 ZINC000827749138 588138930 /nfs/dbraw/zinc/13/89/30/588138930.db2.gz FLQPXQKGFAKPKY-KRWDZBQOSA-N 1 3 349.475 0.742 20 0 ECADHO [NH3+][C@@H](CC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000828021076 588153396 /nfs/dbraw/zinc/15/33/96/588153396.db2.gz JOYWRNZBBGVXFR-KRWDZBQOSA-N 1 3 331.464 0.837 20 0 ECADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852930861 589527170 /nfs/dbraw/zinc/52/71/70/589527170.db2.gz OPHGUYWPJDJJOX-KGLIPLIRSA-N 1 3 346.479 0.666 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCN1CCO[C@@H](C)C1 ZINC000853604616 589551479 /nfs/dbraw/zinc/55/14/79/589551479.db2.gz GOFLONYKEGWFCE-HOTGVXAUSA-N 1 3 343.516 0.278 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCN1CCO[C@@H](C)C1 ZINC000853604616 589551480 /nfs/dbraw/zinc/55/14/80/589551480.db2.gz GOFLONYKEGWFCE-HOTGVXAUSA-N 1 3 343.516 0.278 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCC1 ZINC000867592003 589811264 /nfs/dbraw/zinc/81/12/64/589811264.db2.gz MNBIYNGNYDAACD-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCC1 ZINC000867592003 589811267 /nfs/dbraw/zinc/81/12/67/589811267.db2.gz MNBIYNGNYDAACD-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@@H]21 ZINC000868165478 589877547 /nfs/dbraw/zinc/87/75/47/589877547.db2.gz BXBOCIZNUCAHHL-HIFRSBDPSA-N 1 3 345.451 0.444 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@@H]21 ZINC000868165478 589877550 /nfs/dbraw/zinc/87/75/50/589877550.db2.gz BXBOCIZNUCAHHL-HIFRSBDPSA-N 1 3 345.451 0.444 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868231163 589882616 /nfs/dbraw/zinc/88/26/16/589882616.db2.gz AEHBFGQTQMKSEL-HRCADAONSA-N 1 3 330.432 0.992 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000868309766 589891311 /nfs/dbraw/zinc/89/13/11/589891311.db2.gz MFYOWYDSUMKURU-CZUORRHYSA-N 1 3 328.416 0.781 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000868309766 589891313 /nfs/dbraw/zinc/89/13/13/589891313.db2.gz MFYOWYDSUMKURU-CZUORRHYSA-N 1 3 328.416 0.781 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000868375157 589898422 /nfs/dbraw/zinc/89/84/22/589898422.db2.gz ZBMWUGWRIOHJJP-JKSUJKDBSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000868375157 589898425 /nfs/dbraw/zinc/89/84/25/589898425.db2.gz ZBMWUGWRIOHJJP-JKSUJKDBSA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000863580206 590024852 /nfs/dbraw/zinc/02/48/52/590024852.db2.gz FNFQWNACRJUKCL-CABCVRRESA-N 1 3 343.468 0.669 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000872154160 590099122 /nfs/dbraw/zinc/09/91/22/590099122.db2.gz PJNWSCWZHJQSMN-YQVWRLOYSA-N 1 3 330.476 0.947 20 0 ECADHO O=C(N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1(NC2CC2)CCC1 ZINC000872253943 590108030 /nfs/dbraw/zinc/10/80/30/590108030.db2.gz NFXPLVUFFJRQKV-CABCVRRESA-N 1 3 348.447 0.445 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)N(C)C ZINC000872256021 590109113 /nfs/dbraw/zinc/10/91/13/590109113.db2.gz JXZMCJYQWOXZFD-QLFBSQMISA-N 1 3 338.452 0.356 20 0 ECADHO CC(C)[C@H](CNC(=S)NCCC[NH+](C)C)N1CCN(C)CC1 ZINC000874068911 590219388 /nfs/dbraw/zinc/21/93/88/590219388.db2.gz PCGVFVBESKZVSV-HNNXBMFYSA-N 1 3 329.558 0.674 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875168750 590277802 /nfs/dbraw/zinc/27/78/02/590277802.db2.gz AHFUZSIESIVQSW-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000875168750 590277804 /nfs/dbraw/zinc/27/78/04/590277804.db2.gz AHFUZSIESIVQSW-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000876719548 590403358 /nfs/dbraw/zinc/40/33/58/590403358.db2.gz NZXBOEDQMDPMER-ZOBUZTSGSA-N 1 3 325.453 0.513 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2c(CN)cnn2C)CC1 ZINC000876746384 590408081 /nfs/dbraw/zinc/40/80/81/590408081.db2.gz LFLFHDDHSSIBQO-GASCZTMLSA-N 1 3 348.495 0.509 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2c(CN)cnn2C)CC1 ZINC000876746384 590408083 /nfs/dbraw/zinc/40/80/83/590408083.db2.gz LFLFHDDHSSIBQO-GASCZTMLSA-N 1 3 348.495 0.509 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2nncn2CC1 ZINC000880664523 590414798 /nfs/dbraw/zinc/41/47/98/590414798.db2.gz SKFQRTCKJDSSKV-LSDHHAIUSA-N 1 3 336.484 0.619 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2nncn2CC1 ZINC000880664523 590414801 /nfs/dbraw/zinc/41/48/01/590414801.db2.gz SKFQRTCKJDSSKV-LSDHHAIUSA-N 1 3 336.484 0.619 20 0 ECADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CNCCC1(F)F ZINC000876866683 590420568 /nfs/dbraw/zinc/42/05/68/590420568.db2.gz WENGQBCDQMLNAJ-VXGBXAGGSA-N 1 3 327.379 0.843 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)c2)nn1 ZINC000877207479 590445066 /nfs/dbraw/zinc/44/50/66/590445066.db2.gz YFKYCGYITWBHOI-AWEZNQCLSA-N 1 3 328.420 0.874 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCn2cnnn2)CC1 ZINC000878118886 590499970 /nfs/dbraw/zinc/49/99/70/590499970.db2.gz VKGIDMNRJFYOLX-UHFFFAOYSA-N 1 3 337.472 0.089 20 0 ECADHO CCNC(=O)NC(=O)[C@@H](C)N(CCOC)CC1CC[NH+](C)CC1 ZINC000879123421 590564833 /nfs/dbraw/zinc/56/48/33/590564833.db2.gz HITYEQWREVOGGY-CYBMUJFWSA-N 1 3 328.457 0.511 20 0 ECADHO COCCN(C)CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883299234 590611798 /nfs/dbraw/zinc/61/17/98/590611798.db2.gz OYKMMEQOKSZZOU-HNNXBMFYSA-N 1 3 335.452 0.880 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000884853140 590633754 /nfs/dbraw/zinc/63/37/54/590633754.db2.gz GQDHMVBHCLRGLJ-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000883638706 590636611 /nfs/dbraw/zinc/63/66/11/590636611.db2.gz UNMKDDYPGHCISM-ZBFHGGJFSA-N 1 3 345.447 0.329 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884876433 590639522 /nfs/dbraw/zinc/63/95/22/590639522.db2.gz BFFYXTIUTAYJDZ-KFWWJZLASA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884877684 590639611 /nfs/dbraw/zinc/63/96/11/590639611.db2.gz ZDWIOJDLSKEOEW-HNNXBMFYSA-N 1 3 340.512 0.927 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884910736 590647698 /nfs/dbraw/zinc/64/76/98/590647698.db2.gz DDKHBICFVUBIQH-FPCVCCKLSA-N 1 3 336.480 0.705 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccnc(N2CCNCC2)c1 ZINC000884193015 590768974 /nfs/dbraw/zinc/76/89/74/590768974.db2.gz UJURNALQEPCXOT-CVEARBPZSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnc(N2CCNCC2)c1 ZINC000884193015 590768978 /nfs/dbraw/zinc/76/89/78/590768978.db2.gz UJURNALQEPCXOT-CVEARBPZSA-N 1 3 329.448 0.848 20 0 ECADHO COCC[C@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000884234208 590785042 /nfs/dbraw/zinc/78/50/42/590785042.db2.gz LUQYCJSTGSCMSL-KRWDZBQOSA-N 1 3 334.464 0.414 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)c2ccnc(N3CCNCC3)c2)CC1 ZINC000884242952 590787974 /nfs/dbraw/zinc/78/79/74/590787974.db2.gz PHPWMVRKEMVDJV-UHFFFAOYSA-N 1 3 331.464 0.953 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000884287723 590797567 /nfs/dbraw/zinc/79/75/67/590797567.db2.gz KDROIHQBOLYGCD-SFHVURJKSA-N 1 3 329.448 0.707 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884546802 590854041 /nfs/dbraw/zinc/85/40/41/590854041.db2.gz VAQWVQMWBAPYNF-QGZVFWFLSA-N 1 3 346.475 0.665 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884546802 590854046 /nfs/dbraw/zinc/85/40/46/590854046.db2.gz VAQWVQMWBAPYNF-QGZVFWFLSA-N 1 3 346.475 0.665 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000884578102 590862318 /nfs/dbraw/zinc/86/23/18/590862318.db2.gz SXTQZHIOHOBKRH-RHSMWYFYSA-N 1 3 344.459 0.499 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884664402 590885966 /nfs/dbraw/zinc/88/59/66/590885966.db2.gz KWDZALHTMVXGCK-KKUMJFAQSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000884685216 590893621 /nfs/dbraw/zinc/89/36/21/590893621.db2.gz BONZUEYPUXPSGY-KFWWJZLASA-N 1 3 345.447 0.505 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC[C@H]21 ZINC000884690513 590897575 /nfs/dbraw/zinc/89/75/75/590897575.db2.gz CFWURNHUVOZUNI-BZUAXINKSA-N 1 3 330.432 0.355 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC[C@H]21 ZINC000884690513 590897576 /nfs/dbraw/zinc/89/75/76/590897576.db2.gz CFWURNHUVOZUNI-BZUAXINKSA-N 1 3 330.432 0.355 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000884694820 590900292 /nfs/dbraw/zinc/90/02/92/590900292.db2.gz YOEXPUXYUYXYHF-GJZGRUSLSA-N 1 3 345.447 0.377 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000884700801 590900617 /nfs/dbraw/zinc/90/06/17/590900617.db2.gz WJFOARJGANQMQB-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO CN1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCC1(C)C ZINC000884715851 590906398 /nfs/dbraw/zinc/90/63/98/590906398.db2.gz GNAWWUBIJZDEAV-UHFFFAOYSA-N 1 3 344.459 0.849 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CCN1c1ccncc1 ZINC000884721483 590909304 /nfs/dbraw/zinc/90/93/04/590909304.db2.gz LYESDCZTDUGAJK-AWEZNQCLSA-N 1 3 343.431 0.155 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884729392 590913218 /nfs/dbraw/zinc/91/32/18/590913218.db2.gz OBIMSSFWCTVUGH-MELADBBJSA-N 1 3 333.436 0.361 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CCN1c1ccncc1 ZINC000884782965 590922648 /nfs/dbraw/zinc/92/26/48/590922648.db2.gz UXXSWJKWGNEKFY-CQSZACIVSA-N 1 3 345.447 0.506 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946642956 611383373 /nfs/dbraw/zinc/38/33/73/611383373.db2.gz XHJKLSNLPZOKAE-XUWVNRHRSA-N 1 3 338.496 0.761 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946642956 611383376 /nfs/dbraw/zinc/38/33/76/611383376.db2.gz XHJKLSNLPZOKAE-XUWVNRHRSA-N 1 3 338.496 0.761 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2CC1)N(C)C ZINC000946642331 611383609 /nfs/dbraw/zinc/38/36/09/611383609.db2.gz FKOXPTYAHYKUIU-CAOSSQGBSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2CC1)N(C)C ZINC000946642331 611383612 /nfs/dbraw/zinc/38/36/12/611383612.db2.gz FKOXPTYAHYKUIU-CAOSSQGBSA-N 1 3 338.496 0.632 20 0 ECADHO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)n1 ZINC000925078213 611451956 /nfs/dbraw/zinc/45/19/56/611451956.db2.gz FPUKJAXVBXGORQ-GDBMZVCRSA-N 1 3 336.484 0.664 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779867 611472903 /nfs/dbraw/zinc/47/29/03/611472903.db2.gz UQXDKTANEJHNDI-OAGGEKHMSA-N 1 3 336.480 0.245 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779867 611472906 /nfs/dbraw/zinc/47/29/06/611472906.db2.gz UQXDKTANEJHNDI-OAGGEKHMSA-N 1 3 336.480 0.245 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2CC1)N(C)C ZINC000946784272 611475786 /nfs/dbraw/zinc/47/57/86/611475786.db2.gz FKOXPTYAHYKUIU-JONQDZQNSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2CC1)N(C)C ZINC000946784272 611475787 /nfs/dbraw/zinc/47/57/87/611475787.db2.gz FKOXPTYAHYKUIU-JONQDZQNSA-N 1 3 338.496 0.632 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000946796245 611485412 /nfs/dbraw/zinc/48/54/12/611485412.db2.gz FWLFNMKPYSPNIT-CYBMUJFWSA-N 1 3 333.436 0.320 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000946796245 611485415 /nfs/dbraw/zinc/48/54/15/611485415.db2.gz FWLFNMKPYSPNIT-CYBMUJFWSA-N 1 3 333.436 0.320 20 0 ECADHO CC1(C)[C@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925566600 611487382 /nfs/dbraw/zinc/48/73/82/611487382.db2.gz JYTVFFQXQUEQSF-OWCLPIDISA-N 1 3 343.537 0.862 20 0 ECADHO CC1(C)[C@H](NC2CCN(CCS(C)(=O)=O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925566600 611487383 /nfs/dbraw/zinc/48/73/83/611487383.db2.gz JYTVFFQXQUEQSF-OWCLPIDISA-N 1 3 343.537 0.862 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800826 611490306 /nfs/dbraw/zinc/49/03/06/611490306.db2.gz MZRMYDGYHFZZCJ-KFWWJZLASA-N 1 3 347.463 0.599 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800826 611490308 /nfs/dbraw/zinc/49/03/08/611490308.db2.gz MZRMYDGYHFZZCJ-KFWWJZLASA-N 1 3 347.463 0.599 20 0 ECADHO Cn1ccn2c(CCN[C@@H]3CC[NH2+]C[C@H]3C3CCCC3)nnc2c1=O ZINC000925773805 611499628 /nfs/dbraw/zinc/49/96/28/611499628.db2.gz PKTNPEUOHIXKFR-LSDHHAIUSA-N 1 3 344.463 0.728 20 0 ECADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857474 611504227 /nfs/dbraw/zinc/50/42/27/611504227.db2.gz ZWXXUTNOZQFCRS-MELADBBJSA-N 1 3 344.477 0.617 20 0 ECADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000926314564 611534042 /nfs/dbraw/zinc/53/40/42/611534042.db2.gz LINGEJWCLVXFQH-JKSUJKDBSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@H]1C[NH3+] ZINC000926325087 611535200 /nfs/dbraw/zinc/53/52/00/611535200.db2.gz YVRBLIBPCMENSO-CABCVRRESA-N 1 3 338.496 0.763 20 0 ECADHO C[NH+](C)CC1(O)CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000931485461 611544734 /nfs/dbraw/zinc/54/47/34/611544734.db2.gz JCCBLQHJIOBQPT-CQSZACIVSA-N 1 3 333.498 0.047 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000948413938 611580710 /nfs/dbraw/zinc/58/07/10/611580710.db2.gz RNWBFKHPYGHNBY-HNNXBMFYSA-N 1 3 348.491 0.531 20 0 ECADHO COC(=O)[C@H]1CN(C(=O)NCCNc2cccc(C)n2)CC[N@H+](C)C1 ZINC000927483596 611606510 /nfs/dbraw/zinc/60/65/10/611606510.db2.gz MNXPHRHHNUFGFJ-CQSZACIVSA-N 1 3 349.435 0.548 20 0 ECADHO COC(=O)[C@H]1CN(C(=O)NCCNc2cccc(C)n2)CC[N@@H+](C)C1 ZINC000927483596 611606511 /nfs/dbraw/zinc/60/65/11/611606511.db2.gz MNXPHRHHNUFGFJ-CQSZACIVSA-N 1 3 349.435 0.548 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000927639456 611623326 /nfs/dbraw/zinc/62/33/26/611623326.db2.gz BFRRXJFNTKOSFO-SJORKVTESA-N 1 3 334.464 0.895 20 0 ECADHO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000927639456 611623327 /nfs/dbraw/zinc/62/33/27/611623327.db2.gz BFRRXJFNTKOSFO-SJORKVTESA-N 1 3 334.464 0.895 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCS1 ZINC000932664844 611651672 /nfs/dbraw/zinc/65/16/72/611651672.db2.gz GUYKIIIVIJRJLU-KGLIPLIRSA-N 1 3 344.525 0.339 20 0 ECADHO COCCN1CCC(NC(=O)NC2(CCOC)CC[NH2+]CC2)CC1 ZINC000891439058 608744135 /nfs/dbraw/zinc/74/41/35/608744135.db2.gz AWHABCSWNMRSGH-UHFFFAOYSA-N 1 3 342.484 0.555 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCn1cncn1 ZINC000947497355 608815119 /nfs/dbraw/zinc/81/51/19/608815119.db2.gz HVXYEUJVCJHHGY-HZPDHXFCSA-N 1 3 346.479 0.876 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(CCc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000924586292 609003402 /nfs/dbraw/zinc/00/34/02/609003402.db2.gz DPGKYFMSQXLOCZ-MRXNPFEDSA-N 1 3 348.447 0.652 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000167214499 609023072 /nfs/dbraw/zinc/02/30/72/609023072.db2.gz MHOQINUELCEQIA-OWCLPIDISA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000938007648 609456968 /nfs/dbraw/zinc/45/69/68/609456968.db2.gz IXPRYWHFJHALOO-ARFHVFGLSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)CCCS(=O)(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000921479559 609719340 /nfs/dbraw/zinc/71/93/40/609719340.db2.gz MJMXIPXTHOULLQ-OAHLLOKOSA-N 1 3 328.482 0.946 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCN3C3CCCC3)C[C@]2(C)C1 ZINC000910905140 609778532 /nfs/dbraw/zinc/77/85/32/609778532.db2.gz BUAFDOJCWOSLPM-ALKREAHSSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCN3C3CCCC3)C[C@]2(C)C1 ZINC000910905140 609778534 /nfs/dbraw/zinc/77/85/34/609778534.db2.gz BUAFDOJCWOSLPM-ALKREAHSSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000910962363 609783395 /nfs/dbraw/zinc/78/33/95/609783395.db2.gz KEOROMHXRNGFPF-JYJNAYRXSA-N 1 3 332.448 0.129 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)N1CCCCC1 ZINC000910946844 609784955 /nfs/dbraw/zinc/78/49/55/609784955.db2.gz QHICUACSBYOWJS-YJBOKZPZSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)N(C)Cc1ccccc1 ZINC000911011002 609793752 /nfs/dbraw/zinc/79/37/52/609793752.db2.gz ZZQCTDUXZYKBGP-HOCLYGCPSA-N 1 3 346.475 0.737 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911055367 609796112 /nfs/dbraw/zinc/79/61/12/609796112.db2.gz NVGNDYKICJFOEJ-HRCADAONSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911030234 609796756 /nfs/dbraw/zinc/79/67/56/609796756.db2.gz TZVDSMDGKDSFDM-ZJIFWQFVSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911148364 609815468 /nfs/dbraw/zinc/81/54/68/609815468.db2.gz XOIHJSASILPXNT-KLWIRTJPSA-N 1 3 342.443 0.326 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000911206409 609825264 /nfs/dbraw/zinc/82/52/64/609825264.db2.gz DWVYIUMTGMWRCV-HDMKZQKVSA-N 1 3 336.480 0.707 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911257746 609837747 /nfs/dbraw/zinc/83/77/47/609837747.db2.gz LKVMNRVIAOGGSC-RRFJBIMHSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000911382259 609861151 /nfs/dbraw/zinc/86/11/51/609861151.db2.gz IGKIWEBKGKSHMJ-PMPSAXMXSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000911441368 609873161 /nfs/dbraw/zinc/87/31/61/609873161.db2.gz GHXUUSBTINEOKK-GPMSIDNRSA-N 1 3 348.491 0.722 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@@H+]1C ZINC000911516007 609889233 /nfs/dbraw/zinc/88/92/33/609889233.db2.gz HJPIRDPESQLEAU-ODVANORSSA-N 1 3 344.459 0.668 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@H+]1C ZINC000911516007 609889235 /nfs/dbraw/zinc/88/92/35/609889235.db2.gz HJPIRDPESQLEAU-ODVANORSSA-N 1 3 344.459 0.668 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000938913863 610041449 /nfs/dbraw/zinc/04/14/49/610041449.db2.gz LYADRUDJMLNLMX-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)C(=O)CN2CCCC2)C1 ZINC000939696378 610088596 /nfs/dbraw/zinc/08/85/96/610088596.db2.gz VFNBFKFHCPUBLH-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)C(=O)CN2CCCC2)C1 ZINC000939696378 610088598 /nfs/dbraw/zinc/08/85/98/610088598.db2.gz VFNBFKFHCPUBLH-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000939696364 610088896 /nfs/dbraw/zinc/08/88/96/610088896.db2.gz VBPJJAUSPUXCAW-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000939700537 610091811 /nfs/dbraw/zinc/09/18/11/610091811.db2.gz RQJPKMLFJCCVIH-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000940761534 610353375 /nfs/dbraw/zinc/35/33/75/610353375.db2.gz NGFAOYRXPBTEHA-IIAWOOMASA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000940761534 610353376 /nfs/dbraw/zinc/35/33/76/610353376.db2.gz NGFAOYRXPBTEHA-IIAWOOMASA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1CN(CCn2cncn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597956 610531353 /nfs/dbraw/zinc/53/13/53/610531353.db2.gz OURCVFSCCUSGPB-GOEBONIOSA-N 1 3 334.468 0.447 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000941931559 610569147 /nfs/dbraw/zinc/56/91/47/610569147.db2.gz CHTQWAPPDYRNGR-HUUCEWRRSA-N 1 3 345.447 0.320 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000941933756 610570037 /nfs/dbraw/zinc/57/00/37/610570037.db2.gz AQXWHZYHDVRYJH-HUUCEWRRSA-N 1 3 347.463 0.852 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000941933756 610570039 /nfs/dbraw/zinc/57/00/39/610570039.db2.gz AQXWHZYHDVRYJH-HUUCEWRRSA-N 1 3 347.463 0.852 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941408440 610722544 /nfs/dbraw/zinc/72/25/44/610722544.db2.gz GFMXOACLFJALPU-IBGZPJMESA-N 1 3 346.519 0.957 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)c1ccnn1C ZINC000923199817 611213607 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ECADHO CN(CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC000947131999 611800697 /nfs/dbraw/zinc/80/06/97/611800697.db2.gz MUGRVEPRRRIQEK-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000950783502 611907679 /nfs/dbraw/zinc/90/76/79/611907679.db2.gz PNOWWAWJRLFTNG-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000951421378 612222609 /nfs/dbraw/zinc/22/26/09/612222609.db2.gz OCULTUQXIAVHGV-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000955443837 612590969 /nfs/dbraw/zinc/59/09/69/612590969.db2.gz LUPBAQQVBYTEDS-LSDHHAIUSA-N 1 3 333.436 0.352 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000955443837 612590973 /nfs/dbraw/zinc/59/09/73/612590973.db2.gz LUPBAQQVBYTEDS-LSDHHAIUSA-N 1 3 333.436 0.352 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN1CCCC1 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348.495 0.693 20 0 ECADHO CCn1cc(CCN2CC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970874660 734034160 /nfs/dbraw/zinc/03/41/60/734034160.db2.gz LQXKPPQTKZXGTP-ZBFHGGJFSA-N 1 3 333.480 0.834 20 0 ECADHO CCn1cc(CCN2CC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970874660 734034162 /nfs/dbraw/zinc/03/41/62/734034162.db2.gz LQXKPPQTKZXGTP-ZBFHGGJFSA-N 1 3 333.480 0.834 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971543525 734732481 /nfs/dbraw/zinc/73/24/81/734732481.db2.gz RFKSWYMJRXXQAW-IRXDYDNUSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2ccnn2C)C1)C1CC1 ZINC000971684492 734950137 /nfs/dbraw/zinc/95/01/37/734950137.db2.gz HWGNMLBCLWDPHF-SJORKVTESA-N 1 3 333.480 0.836 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccnn2C)C1)C1CC1 ZINC000971684492 734950138 /nfs/dbraw/zinc/95/01/38/734950138.db2.gz HWGNMLBCLWDPHF-SJORKVTESA-N 1 3 333.480 0.836 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2cnnn2C)CC[N@@H+]1C ZINC001087168118 735015993 /nfs/dbraw/zinc/01/59/93/735015993.db2.gz TUQDQXGTBBYNSZ-PNBKFKSVSA-N 1 3 348.495 0.872 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2cnnn2C)CC[N@H+]1C ZINC001087168118 735015998 /nfs/dbraw/zinc/01/59/98/735015998.db2.gz TUQDQXGTBBYNSZ-PNBKFKSVSA-N 1 3 348.495 0.872 20 0 ECADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(CCN2CCCC2=O)CC1 ZINC001006400430 751352035 /nfs/dbraw/zinc/35/20/35/751352035.db2.gz OADMTWUKMQVIAK-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(CCN2CCCC2=O)CC1 ZINC001006400430 751352042 /nfs/dbraw/zinc/35/20/42/751352042.db2.gz OADMTWUKMQVIAK-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)CCN2CCCC2=O)C1 ZINC000972330105 735952999 /nfs/dbraw/zinc/95/29/99/735952999.db2.gz DNPFBBCIPUHXAU-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)CCN2CCCC2=O)C1 ZINC000972330105 735953004 /nfs/dbraw/zinc/95/30/04/735953004.db2.gz DNPFBBCIPUHXAU-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCc3ccnn3C)C2)C1 ZINC000972335981 735963505 /nfs/dbraw/zinc/96/35/05/735963505.db2.gz TXLAYCABKZFSQC-DOTOQJQBSA-N 1 3 333.480 0.837 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccnn3C)C2)C1 ZINC000972335981 735963506 /nfs/dbraw/zinc/96/35/06/735963506.db2.gz TXLAYCABKZFSQC-DOTOQJQBSA-N 1 3 333.480 0.837 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001167626753 736147748 /nfs/dbraw/zinc/14/77/48/736147748.db2.gz GWUVNNSBSGWCGT-MRXNPFEDSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001167627514 736148913 /nfs/dbraw/zinc/14/89/13/736148913.db2.gz OYDPPXLNXUSANC-AWEZNQCLSA-N 1 3 333.498 0.390 20 0 ECADHO CCn1nnc(C)c1CNC1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617050 736371119 /nfs/dbraw/zinc/37/11/19/736371119.db2.gz AJWVFRLQZIPXTK-UHFFFAOYSA-N 1 3 348.495 0.933 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)c1 ZINC001023126431 736521981 /nfs/dbraw/zinc/52/19/81/736521981.db2.gz VZBGMGLTTNUODE-CALCHBBNSA-N 1 3 342.447 0.890 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCN3CC)C2)C1=O ZINC001023131092 736526312 /nfs/dbraw/zinc/52/63/12/736526312.db2.gz USOBDYSIDPIZAW-QXSJWSMHSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCN3CC)C2)C1=O ZINC001023131093 736526408 /nfs/dbraw/zinc/52/64/08/736526408.db2.gz USOBDYSIDPIZAW-XUWVNRHRSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCN3CC)C2)C1=O ZINC001023131090 736526597 /nfs/dbraw/zinc/52/65/97/736526597.db2.gz USOBDYSIDPIZAW-FZKCQIBNSA-N 1 3 336.480 0.718 20 0 ECADHO O=C(NC[C@H]1CCCN([C@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703817 737214344 /nfs/dbraw/zinc/21/43/44/737214344.db2.gz VWILTZXQVXWAPJ-CABCVRRESA-N 1 3 334.464 0.189 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023704035 737220258 /nfs/dbraw/zinc/22/02/58/737220258.db2.gz YYCMUDWLJRTZMC-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001023762121 737326200 /nfs/dbraw/zinc/32/62/00/737326200.db2.gz ROIRGFQVAZYCRW-IRXDYDNUSA-N 1 3 348.495 0.981 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001023762121 737326202 /nfs/dbraw/zinc/32/62/02/737326202.db2.gz ROIRGFQVAZYCRW-IRXDYDNUSA-N 1 3 348.495 0.981 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC001087257554 737412921 /nfs/dbraw/zinc/41/29/21/737412921.db2.gz XZPSIRYROWBVCD-ZDUSSCGKSA-N 1 3 335.452 0.886 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC001087257554 737412922 /nfs/dbraw/zinc/41/29/22/737412922.db2.gz XZPSIRYROWBVCD-ZDUSSCGKSA-N 1 3 335.452 0.886 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001023890369 737465076 /nfs/dbraw/zinc/46/50/76/737465076.db2.gz YGTBZXFSMSRDLF-HOCLYGCPSA-N 1 3 334.468 0.720 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972733084 737567632 /nfs/dbraw/zinc/56/76/32/737567632.db2.gz OUNVFHBWARSNKC-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972733084 737567636 /nfs/dbraw/zinc/56/76/36/737567636.db2.gz OUNVFHBWARSNKC-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001024016677 737619409 /nfs/dbraw/zinc/61/94/09/737619409.db2.gz MGZNTNHPQBJTFW-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001024017184 737620073 /nfs/dbraw/zinc/62/00/73/737620073.db2.gz BHXJWLFCJZJIMP-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001024136182 737746563 /nfs/dbraw/zinc/74/65/63/737746563.db2.gz VIMYDGZSQUUMPY-AWEZNQCLSA-N 1 3 334.468 0.783 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000973467627 739339413 /nfs/dbraw/zinc/33/94/13/739339413.db2.gz XSOWKMZVDDWZEM-SHTZXODSSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@H](NC(=O)c1cnccc1N(C)C)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001025596693 739760539 /nfs/dbraw/zinc/76/05/39/739760539.db2.gz GDKFNUZXTWZXFU-QWHCGFSZSA-N 1 3 333.436 0.463 20 0 ECADHO C[C@H](NC(=O)c1cnccc1N(C)C)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025596693 739760541 /nfs/dbraw/zinc/76/05/41/739760541.db2.gz GDKFNUZXTWZXFU-QWHCGFSZSA-N 1 3 333.436 0.463 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025809073 739976645 /nfs/dbraw/zinc/97/66/45/739976645.db2.gz YVOXHPYITHRSRN-DMRKSPOLSA-N 1 3 348.491 0.528 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025809073 739976648 /nfs/dbraw/zinc/97/66/48/739976648.db2.gz YVOXHPYITHRSRN-DMRKSPOLSA-N 1 3 348.491 0.528 20 0 ECADHO CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1=O ZINC001026043407 740336340 /nfs/dbraw/zinc/33/63/40/740336340.db2.gz QPOLYSFKRKIBOQ-QFXBJFAPSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1=O ZINC001026043407 740336342 /nfs/dbraw/zinc/33/63/42/740336342.db2.gz QPOLYSFKRKIBOQ-QFXBJFAPSA-N 1 3 348.491 0.526 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC2(CC[NH+](CCO)CC2)O1 ZINC001098606470 740397707 /nfs/dbraw/zinc/39/77/07/740397707.db2.gz RKBQNGJZRYWXAF-HNNXBMFYSA-N 1 3 339.480 0.545 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC2(CC[NH+](CCO)CC2)O1 ZINC001098607131 740440481 /nfs/dbraw/zinc/44/04/81/740440481.db2.gz YWMGWZLSOYIUQE-ZBFHGGJFSA-N 1 3 339.480 0.401 20 0 ECADHO CC(C)(C(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C1)N1CCCCC1 ZINC001026268126 740696166 /nfs/dbraw/zinc/69/61/66/740696166.db2.gz WBZPWKNINHLFKH-ZNMIVQPWSA-N 1 3 336.480 0.563 20 0 ECADHO CC1CCN(CC(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CC1 ZINC001087398644 740776705 /nfs/dbraw/zinc/77/67/05/740776705.db2.gz DLRYVQSGQZVODU-MHORFTMASA-N 1 3 335.492 0.879 20 0 ECADHO CC1CCN(CC(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)CC1 ZINC001087398644 740776709 /nfs/dbraw/zinc/77/67/09/740776709.db2.gz DLRYVQSGQZVODU-MHORFTMASA-N 1 3 335.492 0.879 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001104938264 740979643 /nfs/dbraw/zinc/97/96/43/740979643.db2.gz QSIZIIZCXPJIGZ-HZPDHXFCSA-N 1 3 336.484 0.694 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001104938602 740980778 /nfs/dbraw/zinc/98/07/78/740980778.db2.gz XCGSEQRSMXFDLK-HUUCEWRRSA-N 1 3 336.484 0.731 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020432781 751600817 /nfs/dbraw/zinc/60/08/17/751600817.db2.gz XPEVQYLTXMNRCE-ZOBUZTSGSA-N 1 3 346.479 0.909 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CCNCc1nccn1C ZINC001105007949 741160061 /nfs/dbraw/zinc/16/00/61/741160061.db2.gz JOSIKHDRIWGJAP-BZUAXINKSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CCNCc1nccn1C ZINC001105007949 741160064 /nfs/dbraw/zinc/16/00/64/741160064.db2.gz JOSIKHDRIWGJAP-BZUAXINKSA-N 1 3 333.480 0.946 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064527 741273490 /nfs/dbraw/zinc/27/34/90/741273490.db2.gz URWBNVMGUVEESS-HUUCEWRRSA-N 1 3 326.485 0.537 20 0 ECADHO COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064572 741273521 /nfs/dbraw/zinc/27/35/21/741273521.db2.gz XIMOTWLESGDPEV-BZUAXINKSA-N 1 3 329.485 0.408 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001105276404 741629270 /nfs/dbraw/zinc/62/92/70/741629270.db2.gz GSHPASQFTFVMCJ-UHFFFAOYSA-N 1 3 332.452 0.789 20 0 ECADHO O=C(CN1CCCC1)N1CC2(C1)CCC[N@H+](CCn1cncn1)C2 ZINC000982149323 751654457 /nfs/dbraw/zinc/65/44/57/751654457.db2.gz RFQBQSUEXUTGNQ-UHFFFAOYSA-N 1 3 332.452 0.298 20 0 ECADHO O=C(CN1CCCC1)N1CC2(C1)CCC[N@@H+](CCn1cncn1)C2 ZINC000982149323 751654462 /nfs/dbraw/zinc/65/44/62/751654462.db2.gz RFQBQSUEXUTGNQ-UHFFFAOYSA-N 1 3 332.452 0.298 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001026852868 741969771 /nfs/dbraw/zinc/96/97/71/741969771.db2.gz RSUAYASWKPCTAD-IIAWOOMASA-N 1 3 347.463 0.764 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001026852868 741969773 /nfs/dbraw/zinc/96/97/73/741969773.db2.gz RSUAYASWKPCTAD-IIAWOOMASA-N 1 3 347.463 0.764 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001027064980 742435411 /nfs/dbraw/zinc/43/54/11/742435411.db2.gz NZGSSQDLQCZTBB-WBVHZDCISA-N 1 3 346.475 0.665 20 0 ECADHO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001027066116 742439074 /nfs/dbraw/zinc/43/90/74/742439074.db2.gz LZSFKASHTPZBDY-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC000975408281 742815175 /nfs/dbraw/zinc/81/51/75/742815175.db2.gz ACXOQDIRPJULKF-IIAWOOMASA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC000975408281 742815180 /nfs/dbraw/zinc/81/51/80/742815180.db2.gz ACXOQDIRPJULKF-IIAWOOMASA-N 1 3 345.447 0.353 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC001027172890 743002935 /nfs/dbraw/zinc/00/29/35/743002935.db2.gz GZKZRLWNGVSVTI-CYBMUJFWSA-N 1 3 334.420 0.717 20 0 ECADHO CC(C)n1cc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001027173145 743005017 /nfs/dbraw/zinc/00/50/17/743005017.db2.gz LFOZLDIWADXKIS-HNNXBMFYSA-N 1 3 346.479 0.893 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996942501 743060245 /nfs/dbraw/zinc/06/02/45/743060245.db2.gz AATDQHNINXBYGP-UHFFFAOYSA-N 1 3 347.463 0.908 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005112 743118637 /nfs/dbraw/zinc/11/86/37/743118637.db2.gz CTLOAXMDDGXJLH-XJKSGUPXSA-N 1 3 347.463 0.764 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005112 743118642 /nfs/dbraw/zinc/11/86/42/743118642.db2.gz CTLOAXMDDGXJLH-XJKSGUPXSA-N 1 3 347.463 0.764 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC000997040587 743160660 /nfs/dbraw/zinc/16/06/60/743160660.db2.gz HFRIKQROGQOFRL-CYBMUJFWSA-N 1 3 333.436 0.449 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CNCc2nncn2C)C1 ZINC001027235851 743252193 /nfs/dbraw/zinc/25/21/93/743252193.db2.gz WYSBSEKQQHVCJT-CABCVRRESA-N 1 3 334.468 0.628 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CNCc2nncn2C)C1 ZINC001027235851 743252196 /nfs/dbraw/zinc/25/21/96/743252196.db2.gz WYSBSEKQQHVCJT-CABCVRRESA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN([C@@H]2CCCNC2=O)CC1 ZINC000997389303 743563125 /nfs/dbraw/zinc/56/31/25/743563125.db2.gz FGHLJMGODDOINW-GDBMZVCRSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001020586734 751845427 /nfs/dbraw/zinc/84/54/27/751845427.db2.gz XOYZDZGATTVGQH-KBUPBQIOSA-N 1 3 343.493 0.142 20 0 ECADHO CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC000997871543 743861022 /nfs/dbraw/zinc/86/10/22/743861022.db2.gz LGXRESJHYUQZQZ-QZWWFDLISA-N 1 3 348.491 0.671 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000998081316 743966344 /nfs/dbraw/zinc/96/63/44/743966344.db2.gz IVSWVQSTTZZGBF-AWEZNQCLSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000998082222 743967792 /nfs/dbraw/zinc/96/77/92/743967792.db2.gz OSJGHKLWQMTZAX-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000998086298 743971109 /nfs/dbraw/zinc/97/11/09/743971109.db2.gz QDXXUBYXOZXEBH-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000998122212 743989211 /nfs/dbraw/zinc/98/92/11/743989211.db2.gz YKBAQMBAGAZBCW-INIZCTEOSA-N 1 3 347.463 0.790 20 0 ECADHO CCn1nncc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998268737 744088548 /nfs/dbraw/zinc/08/85/48/744088548.db2.gz ILOHHBCJUMRUKT-UHFFFAOYSA-N 1 3 334.468 0.722 20 0 ECADHO COc1ccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)nn1 ZINC000998268039 744088554 /nfs/dbraw/zinc/08/85/54/744088554.db2.gz CWRMOMSCPORSEB-UHFFFAOYSA-N 1 3 347.463 0.909 20 0 ECADHO O=C(N1CC[C@H](C(F)(F)F)[C@H](NCCO)C1)C12CCC[NH+]1CCC2 ZINC000998283440 744097999 /nfs/dbraw/zinc/09/79/99/744097999.db2.gz WECHDNALVVMROA-QWHCGFSZSA-N 1 3 349.397 0.976 20 0 ECADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1)C1CCC1 ZINC001027441717 744450303 /nfs/dbraw/zinc/45/03/03/744450303.db2.gz KDTFBAQNKWKNQF-INIZCTEOSA-N 1 3 334.468 0.685 20 0 ECADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1)C1CCC1 ZINC001027441717 744450305 /nfs/dbraw/zinc/45/03/05/744450305.db2.gz KDTFBAQNKWKNQF-INIZCTEOSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1)C1CC1 ZINC001027443752 744461913 /nfs/dbraw/zinc/46/19/13/744461913.db2.gz NKMALCKNNZICRF-HZPDHXFCSA-N 1 3 334.468 0.541 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1)C1CC1 ZINC001027443752 744461917 /nfs/dbraw/zinc/46/19/17/744461917.db2.gz NKMALCKNNZICRF-HZPDHXFCSA-N 1 3 334.468 0.541 20 0 ECADHO O=C(CN[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCCC1 ZINC000999168159 744545568 /nfs/dbraw/zinc/54/55/68/744545568.db2.gz FCFQDPGZXXVFTJ-DLBZAZTESA-N 1 3 348.491 0.531 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000999469974 744714115 /nfs/dbraw/zinc/71/41/15/744714115.db2.gz PPFNSGUKXZIWGH-UHFFFAOYSA-N 1 3 341.415 0.830 20 0 ECADHO Cc1csc(=O)n1CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999474028 744715572 /nfs/dbraw/zinc/71/55/72/744715572.db2.gz PPVGHTMSMIRFPC-UHFFFAOYSA-N 1 3 349.460 0.763 20 0 ECADHO CN1CC[C@@H](N[C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000999597928 744782401 /nfs/dbraw/zinc/78/24/01/744782401.db2.gz SBVMYIOSGPDKTO-HUUCEWRRSA-N 1 3 334.464 0.426 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000999832656 744928166 /nfs/dbraw/zinc/92/81/66/744928166.db2.gz GKSAKWQPNCZVCO-UHFFFAOYSA-N 1 3 344.459 0.960 20 0 ECADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999836353 744931489 /nfs/dbraw/zinc/93/14/89/744931489.db2.gz KEKVVTJWBQKKOW-WLYUNCDWSA-N 1 3 334.468 0.637 20 0 ECADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999836353 744931491 /nfs/dbraw/zinc/93/14/91/744931491.db2.gz KEKVVTJWBQKKOW-WLYUNCDWSA-N 1 3 334.468 0.637 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)on1 ZINC000983714939 745090258 /nfs/dbraw/zinc/09/02/58/745090258.db2.gz DEHJRYSHYWLHAO-JKQORVJESA-N 1 3 348.447 0.831 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)on1 ZINC000983714939 745090263 /nfs/dbraw/zinc/09/02/63/745090263.db2.gz DEHJRYSHYWLHAO-JKQORVJESA-N 1 3 348.447 0.831 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029147577 745167326 /nfs/dbraw/zinc/16/73/26/745167326.db2.gz XBBKISHPYKPCCE-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001029164803 745189230 /nfs/dbraw/zinc/18/92/30/745189230.db2.gz QOCLACLNZLTTCI-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001029164803 745189235 /nfs/dbraw/zinc/18/92/35/745189235.db2.gz QOCLACLNZLTTCI-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001000108944 745270646 /nfs/dbraw/zinc/27/06/46/745270646.db2.gz BYPXUGAFXFKYIE-LSDHHAIUSA-N 1 3 339.484 0.178 20 0 ECADHO Cn1nccc1CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977599713 745280886 /nfs/dbraw/zinc/28/08/86/745280886.db2.gz MRAVPFXRXPZYEA-GOEBONIOSA-N 1 3 333.480 0.741 20 0 ECADHO Cn1nccc1CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977599713 745280891 /nfs/dbraw/zinc/28/08/91/745280891.db2.gz MRAVPFXRXPZYEA-GOEBONIOSA-N 1 3 333.480 0.741 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001000194118 745331485 /nfs/dbraw/zinc/33/14/85/745331485.db2.gz TVRGGWBXBMTHJL-HOTGVXAUSA-N 1 3 333.480 0.885 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001000547073 745584029 /nfs/dbraw/zinc/58/40/29/745584029.db2.gz RMRQIWWYGDLDJV-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](N[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC001000657683 745674768 /nfs/dbraw/zinc/67/47/68/745674768.db2.gz LVFUXCORNDTEGN-BBRMVZONSA-N 1 3 336.480 0.563 20 0 ECADHO Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000707916 745713435 /nfs/dbraw/zinc/71/34/35/745713435.db2.gz CJQDNFJGDVHLMZ-INIZCTEOSA-N 1 3 331.464 0.905 20 0 ECADHO O=C(CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCCC1 ZINC001000714393 745717130 /nfs/dbraw/zinc/71/71/30/745717130.db2.gz ZFKUVCUFEVUUNL-HNNXBMFYSA-N 1 3 334.464 0.285 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCn3cncn3)C2)C1 ZINC001027576082 745718175 /nfs/dbraw/zinc/71/81/75/745718175.db2.gz JXMDYCMEUWZXSN-HOTGVXAUSA-N 1 3 334.468 0.543 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)C1 ZINC001027576082 745718178 /nfs/dbraw/zinc/71/81/78/745718178.db2.gz JXMDYCMEUWZXSN-HOTGVXAUSA-N 1 3 334.468 0.543 20 0 ECADHO CC(C)CCNCc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360862 752027328 /nfs/dbraw/zinc/02/73/28/752027328.db2.gz KQKPUUAJLMDRDU-UHFFFAOYSA-N 1 3 346.479 0.893 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)[C@H]1CCCN1C)C(=O)C12CCC[NH+]1CCC2 ZINC000978029903 745831330 /nfs/dbraw/zinc/83/13/30/745831330.db2.gz DNJYBTFUAVISCO-JKSUJKDBSA-N 1 3 348.491 0.768 20 0 ECADHO CN1CC[C@@H](N[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001000992490 745958327 /nfs/dbraw/zinc/95/83/27/745958327.db2.gz MEKYWPMHCSWSGC-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000978142813 745960532 /nfs/dbraw/zinc/96/05/32/745960532.db2.gz IGNJQMDNCMAQTF-WCXIOVBPSA-N 1 3 346.479 0.445 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000978142813 745960534 /nfs/dbraw/zinc/96/05/34/745960534.db2.gz IGNJQMDNCMAQTF-WCXIOVBPSA-N 1 3 346.479 0.445 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cnn(C)c4)C[C@H]32)CC[N@@H+]1C ZINC000978182316 746000682 /nfs/dbraw/zinc/00/06/82/746000682.db2.gz RVSAQMJHPJFLFO-NNPSNHGLSA-N 1 3 345.491 0.944 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cnn(C)c4)C[C@H]32)CC[N@H+]1C ZINC000978182316 746000691 /nfs/dbraw/zinc/00/06/91/746000691.db2.gz RVSAQMJHPJFLFO-NNPSNHGLSA-N 1 3 345.491 0.944 20 0 ECADHO C[N@H+](C[C@@H]1CCNC(=O)CC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027595158 746029718 /nfs/dbraw/zinc/02/97/18/746029718.db2.gz VWAIDBRYQDCNNT-HOCLYGCPSA-N 1 3 347.463 0.791 20 0 ECADHO C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027595158 746029726 /nfs/dbraw/zinc/02/97/26/746029726.db2.gz VWAIDBRYQDCNNT-HOCLYGCPSA-N 1 3 347.463 0.791 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001001152999 746118913 /nfs/dbraw/zinc/11/89/13/746118913.db2.gz VETYIDLNVKDNRG-RDJZCZTQSA-N 1 3 331.464 0.829 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001001152999 746118917 /nfs/dbraw/zinc/11/89/17/746118917.db2.gz VETYIDLNVKDNRG-RDJZCZTQSA-N 1 3 331.464 0.829 20 0 ECADHO CNC(=O)[C@@H](C)N1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001375196 746321762 /nfs/dbraw/zinc/32/17/62/746321762.db2.gz DHCFTUYLKFHMGI-CYBMUJFWSA-N 1 3 345.447 0.644 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027651882 746544666 /nfs/dbraw/zinc/54/46/66/746544666.db2.gz NOPGRFADMUBPBK-OAHLLOKOSA-N 1 3 332.452 0.297 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CCC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001027653389 746585141 /nfs/dbraw/zinc/58/51/41/746585141.db2.gz ZETYYFRWGRJQLH-CJNGLKHVSA-N 1 3 345.447 0.573 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CCC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001027653389 746585145 /nfs/dbraw/zinc/58/51/45/746585145.db2.gz ZETYYFRWGRJQLH-CJNGLKHVSA-N 1 3 345.447 0.573 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC000984799408 746955349 /nfs/dbraw/zinc/95/53/49/746955349.db2.gz GZAKAASBSONYQE-RBSFLKMASA-N 1 3 334.468 0.767 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1C ZINC000984807200 746963108 /nfs/dbraw/zinc/96/31/08/746963108.db2.gz GSTLMPJLHJJNGQ-DNNBLBMLSA-N 1 3 333.480 0.911 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1C ZINC000984807200 746963113 /nfs/dbraw/zinc/96/31/13/746963113.db2.gz GSTLMPJLHJJNGQ-DNNBLBMLSA-N 1 3 333.480 0.911 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000984802859 746973569 /nfs/dbraw/zinc/97/35/69/746973569.db2.gz DHWWOUGCFCBLOE-RBSFLKMASA-N 1 3 334.468 0.624 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCc3ccnn3C)CC2)CC[N@@H+]1C ZINC001002850938 747875774 /nfs/dbraw/zinc/87/57/74/747875774.db2.gz DUHUTRTURKKKCK-RHSMWYFYSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCc3ccnn3C)CC2)CC[N@H+]1C ZINC001002850938 747875782 /nfs/dbraw/zinc/87/57/82/747875782.db2.gz DUHUTRTURKKKCK-RHSMWYFYSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001002861402 747888122 /nfs/dbraw/zinc/88/81/22/747888122.db2.gz XAEIULWCVFALMK-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001002861402 747888127 /nfs/dbraw/zinc/88/81/27/747888127.db2.gz XAEIULWCVFALMK-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001003059968 748128566 /nfs/dbraw/zinc/12/85/66/748128566.db2.gz BJVYBMPNESVJLU-DZGCQCFKSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001003059968 748128569 /nfs/dbraw/zinc/12/85/69/748128569.db2.gz BJVYBMPNESVJLU-DZGCQCFKSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCCNC3=O)C2)CCC1 ZINC001029756195 748265562 /nfs/dbraw/zinc/26/55/62/748265562.db2.gz RTFWZFBBZAUBQI-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)[C@H]3CCCNC3=O)C2)CCC1 ZINC001029756195 748265567 /nfs/dbraw/zinc/26/55/67/748265567.db2.gz RTFWZFBBZAUBQI-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000985494596 748297717 /nfs/dbraw/zinc/29/77/17/748297717.db2.gz UOLVYDKSNBBKPH-INIZCTEOSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000979781777 748382688 /nfs/dbraw/zinc/38/26/88/748382688.db2.gz ADYUVLAUVMKBJQ-VGWMRTNUSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000979781777 748382696 /nfs/dbraw/zinc/38/26/96/748382696.db2.gz ADYUVLAUVMKBJQ-VGWMRTNUSA-N 1 3 336.480 0.291 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC001003497716 748612371 /nfs/dbraw/zinc/61/23/71/748612371.db2.gz WUMNARNGNCMGLR-KRWDZBQOSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001003633379 748746283 /nfs/dbraw/zinc/74/62/83/748746283.db2.gz GOHGSTNAXLJLPY-WMLDXEAASA-N 1 3 333.480 0.741 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001003633379 748746288 /nfs/dbraw/zinc/74/62/88/748746288.db2.gz GOHGSTNAXLJLPY-WMLDXEAASA-N 1 3 333.480 0.741 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985647307 748792707 /nfs/dbraw/zinc/79/27/07/748792707.db2.gz OIVGYSBCJFOTKX-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985647307 748792708 /nfs/dbraw/zinc/79/27/08/748792708.db2.gz OIVGYSBCJFOTKX-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC001003796022 748906115 /nfs/dbraw/zinc/90/61/15/748906115.db2.gz KEKXOINSFUVVOJ-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC001003796022 748906118 /nfs/dbraw/zinc/90/61/18/748906118.db2.gz KEKXOINSFUVVOJ-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO COc1ccc(CN(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000985787812 749099514 /nfs/dbraw/zinc/09/95/14/749099514.db2.gz QIQGLRAXJSAKLE-CQSZACIVSA-N 1 3 347.463 0.860 20 0 ECADHO COc1ccc(CN(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000985787812 749099517 /nfs/dbraw/zinc/09/95/17/749099517.db2.gz QIQGLRAXJSAKLE-CQSZACIVSA-N 1 3 347.463 0.860 20 0 ECADHO Cn1cc(CCN2CCC[C@H]2CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001027885937 749105689 /nfs/dbraw/zinc/10/56/89/749105689.db2.gz LFPYCVXPPTTXID-ZWKOTPCHSA-N 1 3 345.491 0.885 20 0 ECADHO CCN1CC[C@H](N(C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000985793138 749111451 /nfs/dbraw/zinc/11/14/51/749111451.db2.gz UQLBSVJZUCCYAT-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CC[C@H](N(C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000985793138 749111457 /nfs/dbraw/zinc/11/14/57/749111457.db2.gz UQLBSVJZUCCYAT-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2CN[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001051351457 761928947 /nfs/dbraw/zinc/92/89/47/761928947.db2.gz TYZKWYQKSSBLRW-CAOSSQGBSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2CN[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001051351457 761928950 /nfs/dbraw/zinc/92/89/50/761928950.db2.gz TYZKWYQKSSBLRW-CAOSSQGBSA-N 1 3 336.480 0.576 20 0 ECADHO CCn1cc(CCN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001004142168 749252320 /nfs/dbraw/zinc/25/23/20/749252320.db2.gz HWSFIFDGVQGPGO-INIZCTEOSA-N 1 3 333.480 0.978 20 0 ECADHO CCn1cc(CCN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001004142168 749252326 /nfs/dbraw/zinc/25/23/26/749252326.db2.gz HWSFIFDGVQGPGO-INIZCTEOSA-N 1 3 333.480 0.978 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001059677492 749392344 /nfs/dbraw/zinc/39/23/44/749392344.db2.gz ASKGRQWKTOJYSD-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001059677492 749392352 /nfs/dbraw/zinc/39/23/52/749392352.db2.gz ASKGRQWKTOJYSD-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCCNC1=O ZINC001029887303 749406499 /nfs/dbraw/zinc/40/64/99/749406499.db2.gz AEXYHCPSTBIPAW-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986355261 749811799 /nfs/dbraw/zinc/81/17/99/749811799.db2.gz MIBDOKGNEHHPDF-YOEHRIQHSA-N 1 3 346.475 0.949 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)NC(C)C)CC1 ZINC001167815062 749860886 /nfs/dbraw/zinc/86/08/86/749860886.db2.gz NKBCMZBDBTXXAT-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO Cc1nnc(CNC[C@H]2C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000980691506 749977998 /nfs/dbraw/zinc/97/79/98/749977998.db2.gz DXCWDWMIJTVJFC-GXTWGEPZSA-N 1 3 334.468 0.782 20 0 ECADHO C[C@H]1C[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000980703181 749991099 /nfs/dbraw/zinc/99/10/99/749991099.db2.gz CCZARUMPFFIFMK-DZGCQCFKSA-N 1 3 343.431 0.678 20 0 ECADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@](CNCC(N)=O)(c2ccccc2)C1 ZINC001105435189 750094251 /nfs/dbraw/zinc/09/42/51/750094251.db2.gz CYAJOVTUMNNLNG-UWUNEBHHSA-N 1 3 346.475 0.620 20 0 ECADHO C[C@@H]1C[C@@H](CNCc2cn(C)nn2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766623 750119365 /nfs/dbraw/zinc/11/93/65/750119365.db2.gz DWAGUPXJECXCEP-KGLIPLIRSA-N 1 3 332.452 0.238 20 0 ECADHO CCn1cc(CNC[C@@H]2C[C@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000980767464 750121170 /nfs/dbraw/zinc/12/11/70/750121170.db2.gz NIQRJRSVBQQIQR-GJZGRUSLSA-N 1 3 346.479 0.720 20 0 ECADHO C[C@@H]1C[C@H](CNCc2cnns2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980767388 750121610 /nfs/dbraw/zinc/12/16/10/750121610.db2.gz MVMNICRJFRJQBZ-CHWSQXEVSA-N 1 3 335.477 0.961 20 0 ECADHO Cc1nnc(CN[C@@H]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC000981462689 750718107 /nfs/dbraw/zinc/71/81/07/750718107.db2.gz YNZUTRCBKIUJPY-KGLIPLIRSA-N 1 3 332.452 0.726 20 0 ECADHO C[C@@H]1[C@@H](NCC(=O)N2CCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987358547 750750698 /nfs/dbraw/zinc/75/06/98/750750698.db2.gz IGYJCPJJSPNRMU-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000981541404 750791526 /nfs/dbraw/zinc/79/15/26/750791526.db2.gz KMJXMQKIALDTBZ-CABCVRRESA-N 1 3 332.448 0.864 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCc1ccnn1C)C2 ZINC000981665429 750932618 /nfs/dbraw/zinc/93/26/18/750932618.db2.gz BZRREPZCWFUGFB-KRWDZBQOSA-N 1 3 345.491 0.981 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCc1ccnn1C)C2 ZINC000981665429 750932620 /nfs/dbraw/zinc/93/26/20/750932620.db2.gz BZRREPZCWFUGFB-KRWDZBQOSA-N 1 3 345.491 0.981 20 0 ECADHO COc1coc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cc1=O ZINC000987532399 750945504 /nfs/dbraw/zinc/94/55/04/750945504.db2.gz PSZGWYXSGRZRKR-ZFWWWQNUSA-N 1 3 349.431 0.823 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC000981901296 751258085 /nfs/dbraw/zinc/25/80/85/751258085.db2.gz IVUIASGHZYDZSJ-KOHRHEQBSA-N 1 3 349.475 0.156 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000981901296 751258089 /nfs/dbraw/zinc/25/80/89/751258089.db2.gz IVUIASGHZYDZSJ-KOHRHEQBSA-N 1 3 349.475 0.156 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000938043563 752748386 /nfs/dbraw/zinc/74/83/86/752748386.db2.gz PLDTZNLHBAMVIW-AEGPPILISA-N 1 3 333.436 0.400 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000938043563 752748391 /nfs/dbraw/zinc/74/83/91/752748391.db2.gz PLDTZNLHBAMVIW-AEGPPILISA-N 1 3 333.436 0.400 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000938092151 753180140 /nfs/dbraw/zinc/18/01/40/753180140.db2.gz IHVKUPLKOJRYCL-HRCADAONSA-N 1 3 338.496 0.918 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000938092151 753180142 /nfs/dbraw/zinc/18/01/42/753180142.db2.gz IHVKUPLKOJRYCL-HRCADAONSA-N 1 3 338.496 0.918 20 0 ECADHO CCCN(C)CC(=O)N1CCOC2(CCC([NH2+]CCO)CC2)C1 ZINC001105485516 753719997 /nfs/dbraw/zinc/71/99/97/753719997.db2.gz LEINKNODKDPZPI-UHFFFAOYSA-N 1 3 327.469 0.450 20 0 ECADHO C[C@@H]([NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1)C(N)=O ZINC001105566739 753837933 /nfs/dbraw/zinc/83/79/33/753837933.db2.gz UGUBOZRGSIULCK-UKRRQHHQSA-N 1 3 347.463 0.967 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449314 753944459 /nfs/dbraw/zinc/94/44/59/753944459.db2.gz GOOSIVXXDWDYGK-CABCVRRESA-N 1 3 334.468 0.589 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605339 754186689 /nfs/dbraw/zinc/18/66/89/754186689.db2.gz KTPSCABMITUUCD-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)n1 ZINC000983325035 755215462 /nfs/dbraw/zinc/21/54/62/755215462.db2.gz FGKXZARXEJSLKM-BPLDGKMQSA-N 1 3 333.436 0.564 20 0 ECADHO CC[C@@H](C)CN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470505 755284787 /nfs/dbraw/zinc/28/47/87/755284787.db2.gz WXPJBFDQEIDWHR-BMFZPTHFSA-N 1 3 337.468 0.266 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000983369396 755435766 /nfs/dbraw/zinc/43/57/66/755435766.db2.gz MVLINFJHTXGBLU-UMVBOHGHSA-N 1 3 333.436 0.257 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000983369396 755435773 /nfs/dbraw/zinc/43/57/73/755435773.db2.gz MVLINFJHTXGBLU-UMVBOHGHSA-N 1 3 333.436 0.257 20 0 ECADHO CC(C)N1CC[C@H]([NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001030020190 755577964 /nfs/dbraw/zinc/57/79/64/755577964.db2.gz UWOGXKYSKVMCPF-HRCADAONSA-N 1 3 336.480 0.671 20 0 ECADHO CCCC[C@@H]([NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1)C(N)=O ZINC001101037783 755581027 /nfs/dbraw/zinc/58/10/27/755581027.db2.gz WYCSJKVJFGMCFT-YMAMQOFZSA-N 1 3 326.485 0.855 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105669385 755675178 /nfs/dbraw/zinc/67/51/78/755675178.db2.gz RFYWXRBAWCXHLV-JOCBIADPSA-N 1 3 341.496 0.287 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001030021700 755737030 /nfs/dbraw/zinc/73/70/30/755737030.db2.gz VJZVIPGNLJXLHM-XHSDSOJGSA-N 1 3 338.496 0.917 20 0 ECADHO CCN1CC[C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001142613317 755835372 /nfs/dbraw/zinc/83/53/72/755835372.db2.gz QYEXENBFXNBSNG-QGZVFWFLSA-N 1 3 331.464 0.804 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001076241350 756252234 /nfs/dbraw/zinc/25/22/34/756252234.db2.gz MAIPVQTZBBFXCS-BPQIPLTHSA-N 1 3 345.491 0.980 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001076241350 756252237 /nfs/dbraw/zinc/25/22/37/756252237.db2.gz MAIPVQTZBBFXCS-BPQIPLTHSA-N 1 3 345.491 0.980 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076242861 756270448 /nfs/dbraw/zinc/27/04/48/756270448.db2.gz UTADYUQURAFXPU-RYQLBKOJSA-N 1 3 345.491 0.837 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076242861 756270451 /nfs/dbraw/zinc/27/04/51/756270451.db2.gz UTADYUQURAFXPU-RYQLBKOJSA-N 1 3 345.491 0.837 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070012535 790323490 /nfs/dbraw/zinc/32/34/90/790323490.db2.gz AXFXKVXBWFCJKD-CVEARBPZSA-N 1 3 334.468 0.617 20 0 ECADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112110132 762466371 /nfs/dbraw/zinc/46/63/71/762466371.db2.gz AAIPOQFYHNFHEZ-IJLUTSLNSA-N 1 3 343.365 0.638 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001010727006 756448651 /nfs/dbraw/zinc/44/86/51/756448651.db2.gz BUWJBEMSJJOEFF-HZPDHXFCSA-N 1 3 334.464 0.093 20 0 ECADHO CN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)C1=O ZINC001076605800 756725546 /nfs/dbraw/zinc/72/55/46/756725546.db2.gz UGSJNFVEAJIJOQ-GVDBMIGSSA-N 1 3 348.491 0.626 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001076627346 756747482 /nfs/dbraw/zinc/74/74/82/756747482.db2.gz GWTZAGAHIJWTBB-GOEBONIOSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3ccnn3C)C2)CC[N@@H+]1C ZINC001051623554 762500100 /nfs/dbraw/zinc/50/01/00/762500100.db2.gz HJYWCGWAPGHYGU-FVQBIDKESA-N 1 3 335.452 0.077 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3ccnn3C)C2)CC[N@H+]1C ZINC001051623554 762500102 /nfs/dbraw/zinc/50/01/02/762500102.db2.gz HJYWCGWAPGHYGU-FVQBIDKESA-N 1 3 335.452 0.077 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001076746008 756952246 /nfs/dbraw/zinc/95/22/46/756952246.db2.gz ZFHZHYHVOOCXBE-IACUBPJLSA-N 1 3 335.452 0.612 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076746008 756952253 /nfs/dbraw/zinc/95/22/53/756952253.db2.gz ZFHZHYHVOOCXBE-IACUBPJLSA-N 1 3 335.452 0.612 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011159892 757066237 /nfs/dbraw/zinc/06/62/37/757066237.db2.gz HZCIFVWBKCSHGM-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001011159892 757066246 /nfs/dbraw/zinc/06/62/46/757066246.db2.gz HZCIFVWBKCSHGM-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001011162971 757083093 /nfs/dbraw/zinc/08/30/93/757083093.db2.gz YXYFSQKIFDIACD-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001011162971 757083099 /nfs/dbraw/zinc/08/30/99/757083099.db2.gz YXYFSQKIFDIACD-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829825 757131334 /nfs/dbraw/zinc/13/13/34/757131334.db2.gz ZGZRUDBTJNVTGM-DGXTUMSLSA-N 1 3 336.480 0.194 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829825 757131340 /nfs/dbraw/zinc/13/13/40/757131340.db2.gz ZGZRUDBTJNVTGM-DGXTUMSLSA-N 1 3 336.480 0.194 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829828 757131367 /nfs/dbraw/zinc/13/13/67/757131367.db2.gz ZNYNOOLBKUSEBW-WVCIDPQESA-N 1 3 348.491 0.384 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829828 757131373 /nfs/dbraw/zinc/13/13/73/757131373.db2.gz ZNYNOOLBKUSEBW-WVCIDPQESA-N 1 3 348.491 0.384 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC001011208635 757190785 /nfs/dbraw/zinc/19/07/85/757190785.db2.gz JPDIBWQXBCYUDY-ARFHVFGLSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC001011208635 757190790 /nfs/dbraw/zinc/19/07/90/757190790.db2.gz JPDIBWQXBCYUDY-ARFHVFGLSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860051 757203836 /nfs/dbraw/zinc/20/38/36/757203836.db2.gz DZWYZVWXIFJTDA-KFWWJZLASA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860051 757203840 /nfs/dbraw/zinc/20/38/40/757203840.db2.gz DZWYZVWXIFJTDA-KFWWJZLASA-N 1 3 336.480 0.338 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1)C1CC1 ZINC001048863575 757219174 /nfs/dbraw/zinc/21/91/74/757219174.db2.gz HNGSSWMUDBOPLX-SOLBZPMBSA-N 1 3 348.491 0.339 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2C1)N(C)C ZINC001048889954 757307762 /nfs/dbraw/zinc/30/77/62/757307762.db2.gz CMEYYXIFJCJBKY-IXDOHACOSA-N 1 3 346.475 0.616 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2C1)N(C)C ZINC001048889954 757307774 /nfs/dbraw/zinc/30/77/74/757307774.db2.gz CMEYYXIFJCJBKY-IXDOHACOSA-N 1 3 346.475 0.616 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1)[NH+]1CCCC1 ZINC001011256682 757309820 /nfs/dbraw/zinc/30/98/20/757309820.db2.gz RAUYDSUNTREIGX-KRWDZBQOSA-N 1 3 347.463 0.743 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001076951189 757712966 /nfs/dbraw/zinc/71/29/66/757712966.db2.gz YHUHJFAUCFNDGJ-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001076951189 757712973 /nfs/dbraw/zinc/71/29/73/757712973.db2.gz YHUHJFAUCFNDGJ-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001049039846 757760244 /nfs/dbraw/zinc/76/02/44/757760244.db2.gz UQHIZJHMXOLFOX-QKPAOTATSA-N 1 3 336.480 0.241 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001049039846 757760251 /nfs/dbraw/zinc/76/02/51/757760251.db2.gz UQHIZJHMXOLFOX-QKPAOTATSA-N 1 3 336.480 0.241 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001049059922 757825991 /nfs/dbraw/zinc/82/59/91/757825991.db2.gz JUVWQMCQERRWAW-SIXLDLHFSA-N 1 3 331.464 0.508 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001049059922 757826001 /nfs/dbraw/zinc/82/60/01/757826001.db2.gz JUVWQMCQERRWAW-SIXLDLHFSA-N 1 3 331.464 0.508 20 0 ECADHO CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015367 757926627 /nfs/dbraw/zinc/92/66/27/757926627.db2.gz QVNBPNFNMDKVSJ-VQHPVUNQSA-N 1 3 339.480 0.305 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011643687 758195448 /nfs/dbraw/zinc/19/54/48/758195448.db2.gz OSMJCQOUOHCFCP-GDBMZVCRSA-N 1 3 347.463 0.743 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011643688 758195899 /nfs/dbraw/zinc/19/58/99/758195899.db2.gz OSMJCQOUOHCFCP-GOEBONIOSA-N 1 3 347.463 0.743 20 0 ECADHO Cc1ncc(CNC2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)o1 ZINC000996618091 758253851 /nfs/dbraw/zinc/25/38/51/758253851.db2.gz CYUHNXNXWOVXSL-DOTOQJQBSA-N 1 3 348.447 0.927 20 0 ECADHO Cc1ncc(CNC2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)o1 ZINC000996618091 758253862 /nfs/dbraw/zinc/25/38/62/758253862.db2.gz CYUHNXNXWOVXSL-DOTOQJQBSA-N 1 3 348.447 0.927 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)N(C)C ZINC001011669330 758258263 /nfs/dbraw/zinc/25/82/63/758258263.db2.gz NCBQWWNVECMPJU-JYJNAYRXSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)N(C)C ZINC001011669330 758258270 /nfs/dbraw/zinc/25/82/70/758258270.db2.gz NCBQWWNVECMPJU-JYJNAYRXSA-N 1 3 338.496 0.728 20 0 ECADHO Cn1nccc1C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000996620469 758260924 /nfs/dbraw/zinc/26/09/24/758260924.db2.gz ONENRBYHWJCJBZ-DLBZAZTESA-N 1 3 347.463 0.364 20 0 ECADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)n1 ZINC000996623163 758267985 /nfs/dbraw/zinc/26/79/85/758267985.db2.gz VFYAMGDQZUAZJR-DLBZAZTESA-N 1 3 347.463 0.364 20 0 ECADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)n1 ZINC000996623163 758267994 /nfs/dbraw/zinc/26/79/94/758267994.db2.gz VFYAMGDQZUAZJR-DLBZAZTESA-N 1 3 347.463 0.364 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049233997 758398250 /nfs/dbraw/zinc/39/82/50/758398250.db2.gz URUVHSQGRHZUCL-VVLHAWIVSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049233997 758398259 /nfs/dbraw/zinc/39/82/59/758398259.db2.gz URUVHSQGRHZUCL-VVLHAWIVSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1=O ZINC000996664663 758409734 /nfs/dbraw/zinc/40/97/34/758409734.db2.gz LEFRHUYQYNVAPS-OAHLLOKOSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1)C1CC1 ZINC000996674142 758423728 /nfs/dbraw/zinc/42/37/28/758423728.db2.gz AGHGJDIYGCMGLJ-KRWDZBQOSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001077182654 758436323 /nfs/dbraw/zinc/43/63/23/758436323.db2.gz YRWCUAAIDXKJOQ-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)CN1CCCC1 ZINC001011771549 758535310 /nfs/dbraw/zinc/53/53/10/758535310.db2.gz LMYNRFDHPSLMTF-HZPDHXFCSA-N 1 3 348.491 0.816 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001060320586 762636960 /nfs/dbraw/zinc/63/69/60/762636960.db2.gz WIEAOKQOSPHIGC-WBVHZDCISA-N 1 3 340.512 0.879 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001022361603 758624417 /nfs/dbraw/zinc/62/44/17/758624417.db2.gz WTFPTHHZJGYTJH-GASCZTMLSA-N 1 3 345.447 0.850 20 0 ECADHO COc1ccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC001127780184 758639307 /nfs/dbraw/zinc/63/93/07/758639307.db2.gz WOYFLLNFYBNBRE-HUUCEWRRSA-N 1 3 334.420 0.159 20 0 ECADHO COc1ccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC001127780184 758639309 /nfs/dbraw/zinc/63/93/09/758639309.db2.gz WOYFLLNFYBNBRE-HUUCEWRRSA-N 1 3 334.420 0.159 20 0 ECADHO O=C(NCCNCc1ccnc(Cl)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779186 758644536 /nfs/dbraw/zinc/64/45/36/758644536.db2.gz JUDJMQWVTDLDHJ-KGLIPLIRSA-N 1 3 338.839 0.804 20 0 ECADHO O=C(NCCNCc1ccnc(Cl)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779186 758644537 /nfs/dbraw/zinc/64/45/37/758644537.db2.gz JUDJMQWVTDLDHJ-KGLIPLIRSA-N 1 3 338.839 0.804 20 0 ECADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785611 758769706 /nfs/dbraw/zinc/76/97/06/758769706.db2.gz OURJEMUPEOIKDP-DLBZAZTESA-N 1 3 349.479 0.841 20 0 ECADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785611 758769715 /nfs/dbraw/zinc/76/97/15/758769715.db2.gz OURJEMUPEOIKDP-DLBZAZTESA-N 1 3 349.479 0.841 20 0 ECADHO CC(C)(C)n1cc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC001127785208 758779426 /nfs/dbraw/zinc/77/94/26/758779426.db2.gz GTGZERIWSMUUEF-HZPDHXFCSA-N 1 3 349.479 0.707 20 0 ECADHO CC(C)(C)n1cc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC001127785208 758779428 /nfs/dbraw/zinc/77/94/28/758779428.db2.gz GTGZERIWSMUUEF-HZPDHXFCSA-N 1 3 349.479 0.707 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC001022596986 758930737 /nfs/dbraw/zinc/93/07/37/758930737.db2.gz YHRIUKJQXMPLKE-DARAHFNDSA-N 1 3 347.463 0.952 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001022596986 758930743 /nfs/dbraw/zinc/93/07/43/758930743.db2.gz YHRIUKJQXMPLKE-DARAHFNDSA-N 1 3 347.463 0.952 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001022712681 759027431 /nfs/dbraw/zinc/02/74/31/759027431.db2.gz XOYZDZGATTVGQH-LJISPDSOSA-N 1 3 343.493 0.142 20 0 ECADHO COc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)c(C)n1 ZINC001022715246 759030182 /nfs/dbraw/zinc/03/01/82/759030182.db2.gz FVHUFUWPZOPCFU-VBNZEHGJSA-N 1 3 347.463 0.872 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001022717401 759033479 /nfs/dbraw/zinc/03/34/79/759033479.db2.gz WBNMKXIGFQMKQQ-QLFBSQMISA-N 1 3 336.480 0.576 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc1=O ZINC001022717428 759034061 /nfs/dbraw/zinc/03/40/61/759034061.db2.gz WKQFBBNGBVGYTP-RMRHIDDWSA-N 1 3 349.431 0.583 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1=O ZINC001022717428 759034071 /nfs/dbraw/zinc/03/40/71/759034071.db2.gz WKQFBBNGBVGYTP-RMRHIDDWSA-N 1 3 349.431 0.583 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCn2cncn2)C1 ZINC001049719276 759127764 /nfs/dbraw/zinc/12/77/64/759127764.db2.gz LMNBTJTVWMTUSN-ZACQAIPSSA-N 1 3 346.479 0.685 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCn2cncn2)C1 ZINC001049719276 759127769 /nfs/dbraw/zinc/12/77/69/759127769.db2.gz LMNBTJTVWMTUSN-ZACQAIPSSA-N 1 3 346.479 0.685 20 0 ECADHO CN1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001017342990 767870666 /nfs/dbraw/zinc/87/06/66/767870666.db2.gz LLAGBZPHEJUMII-JKSUJKDBSA-N 1 3 334.464 0.450 20 0 ECADHO CN1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001017342990 767870672 /nfs/dbraw/zinc/87/06/72/767870672.db2.gz LLAGBZPHEJUMII-JKSUJKDBSA-N 1 3 334.464 0.450 20 0 ECADHO C[C@@H](NCc1nncn1C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047971097 759756653 /nfs/dbraw/zinc/75/66/53/759756653.db2.gz BSWPXVPXSGYDBG-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1nncn1C)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047971097 759756655 /nfs/dbraw/zinc/75/66/55/759756655.db2.gz BSWPXVPXSGYDBG-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)CC1 ZINC001050130182 759768508 /nfs/dbraw/zinc/76/85/08/759768508.db2.gz PUTVXNFSBRYTQG-DLBZAZTESA-N 1 3 346.479 0.543 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911518255 760348261 /nfs/dbraw/zinc/34/82/61/760348261.db2.gz RGPBIKLFQSMARH-DJIMGWMZSA-N 1 3 344.459 0.668 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911518255 760348271 /nfs/dbraw/zinc/34/82/71/760348271.db2.gz 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ECADHO C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C1CC1 ZINC001106705228 768693929 /nfs/dbraw/zinc/69/39/29/768693929.db2.gz XQYXBIBRAMMTFL-VNHYZAJKSA-N 1 3 347.463 0.551 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001055347941 768806867 /nfs/dbraw/zinc/80/68/67/768806867.db2.gz NKAKJIRRJSNKLN-IYBDPMFKSA-N 1 3 338.496 0.587 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001055347941 768806876 /nfs/dbraw/zinc/80/68/76/768806876.db2.gz NKAKJIRRJSNKLN-IYBDPMFKSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000993826672 769690075 /nfs/dbraw/zinc/69/00/75/769690075.db2.gz CPVKQNPGFHJGOZ-OKILXGFUSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994027880 770042179 /nfs/dbraw/zinc/04/21/79/770042179.db2.gz ACVSAYANDUKBLT-HZSPNIEDSA-N 1 3 333.436 0.115 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994027880 770042191 /nfs/dbraw/zinc/04/21/91/770042191.db2.gz ACVSAYANDUKBLT-HZSPNIEDSA-N 1 3 333.436 0.115 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001018865959 770135789 /nfs/dbraw/zinc/13/57/89/770135789.db2.gz PFNCFTSCVCVWMU-VNQPRFMTSA-N 1 3 347.463 0.824 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001018865959 770135793 /nfs/dbraw/zinc/13/57/93/770135793.db2.gz PFNCFTSCVCVWMU-VNQPRFMTSA-N 1 3 347.463 0.824 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC001018963772 770414546 /nfs/dbraw/zinc/41/45/46/770414546.db2.gz XMEZSBMJOOBXSR-HNNXBMFYSA-N 1 3 334.468 0.570 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1)C1CC1 ZINC001019037888 770623316 /nfs/dbraw/zinc/62/33/16/770623316.db2.gz DLSJCGITKVCVIZ-HOTGVXAUSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1)C1CC1 ZINC001019037888 770623318 /nfs/dbraw/zinc/62/33/18/770623318.db2.gz DLSJCGITKVCVIZ-HOTGVXAUSA-N 1 3 348.491 0.339 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001078396620 782863709 /nfs/dbraw/zinc/86/37/09/782863709.db2.gz AKEMILNJXXUFIA-XJKSGUPXSA-N 1 3 326.485 0.679 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001078396620 782863714 /nfs/dbraw/zinc/86/37/14/782863714.db2.gz AKEMILNJXXUFIA-XJKSGUPXSA-N 1 3 326.485 0.679 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001078411262 782894909 /nfs/dbraw/zinc/89/49/09/782894909.db2.gz IYMCTAFLYWYPQF-SJORKVTESA-N 1 3 349.479 0.467 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC[C@H]2C)C1)N(C)C ZINC001019397265 771247752 /nfs/dbraw/zinc/24/77/52/771247752.db2.gz QLWRARWHTDCTRE-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO NC(=O)c1ccc(CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001127474149 771298675 /nfs/dbraw/zinc/29/86/75/771298675.db2.gz HHHYGRUIBAYCDW-MRXNPFEDSA-N 1 3 330.432 0.333 20 0 ECADHO C[C@H](NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccco1 ZINC001127481906 771319432 /nfs/dbraw/zinc/31/94/32/771319432.db2.gz YQZQPQOHSCHADZ-DZGCQCFKSA-N 1 3 348.447 0.504 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21)N(C)C ZINC001056689054 771517373 /nfs/dbraw/zinc/51/73/73/771517373.db2.gz KSDNUSADAWFATK-HRCADAONSA-N 1 3 338.496 0.728 20 0 ECADHO CC1CCN(C(=O)CN[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001019659766 771682680 /nfs/dbraw/zinc/68/26/80/771682680.db2.gz LABIUWCUYRKMBE-INIZCTEOSA-N 1 3 348.491 0.531 20 0 ECADHO CNC(=O)c1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001019774978 771783674 /nfs/dbraw/zinc/78/36/74/771783674.db2.gz PZYWRNASVIWZQK-KRWDZBQOSA-N 1 3 344.459 0.833 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001019822873 771842667 /nfs/dbraw/zinc/84/26/67/771842667.db2.gz KCZCYNCNFWXNIT-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001020161459 772230569 /nfs/dbraw/zinc/23/05/69/772230569.db2.gz DCIKYPMQVNLJBB-BRWVUGGUSA-N 1 3 329.448 0.864 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001020178620 772247964 /nfs/dbraw/zinc/24/79/64/772247964.db2.gz ACHHXUKUYPNTRQ-MUIFIZLQSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001020178620 772247968 /nfs/dbraw/zinc/24/79/68/772247968.db2.gz ACHHXUKUYPNTRQ-MUIFIZLQSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1ccncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001020179046 772249763 /nfs/dbraw/zinc/24/97/63/772249763.db2.gz MEYXUNPPTRYJFD-BRSBDYLESA-N 1 3 344.459 0.990 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406868 772551185 /nfs/dbraw/zinc/55/11/85/772551185.db2.gz COFKZOYDYGGTMI-VXUGHDQTSA-N 1 3 349.475 0.656 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001040640571 783158805 /nfs/dbraw/zinc/15/88/05/783158805.db2.gz CIHNEWQHUROQSW-MRXNPFEDSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044753475 774581309 /nfs/dbraw/zinc/58/13/09/774581309.db2.gz CULOTUHRNCGYNF-KGLIPLIRSA-N 1 3 333.436 0.544 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001044959844 774770822 /nfs/dbraw/zinc/77/08/22/774770822.db2.gz OQTRPBZFVMDRFW-DLBZAZTESA-N 1 3 344.459 0.960 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001079807042 776910250 /nfs/dbraw/zinc/91/02/50/776910250.db2.gz IHTJWMUSDQCHIQ-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079807042 776910257 /nfs/dbraw/zinc/91/02/57/776910257.db2.gz IHTJWMUSDQCHIQ-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079859585 776988464 /nfs/dbraw/zinc/98/84/64/776988464.db2.gz CKZUJMPOEDDOHZ-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079859585 776988469 /nfs/dbraw/zinc/98/84/69/776988469.db2.gz CKZUJMPOEDDOHZ-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001079944949 777122993 /nfs/dbraw/zinc/12/29/93/777122993.db2.gz AOUFUZWWNNDMKG-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079944949 777122998 /nfs/dbraw/zinc/12/29/98/777122998.db2.gz AOUFUZWWNNDMKG-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CN(C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079966997 777169145 /nfs/dbraw/zinc/16/91/45/777169145.db2.gz RBXAAFMJRBFZJP-CQSZACIVSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)CN(C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079966997 777169152 /nfs/dbraw/zinc/16/91/52/777169152.db2.gz RBXAAFMJRBFZJP-CQSZACIVSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001080027833 777257495 /nfs/dbraw/zinc/25/74/95/777257495.db2.gz COXHBVNRGWGUQT-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080142914 777457970 /nfs/dbraw/zinc/45/79/70/777457970.db2.gz NPOIDKFUQVUTNP-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080142914 777457974 /nfs/dbraw/zinc/45/79/74/777457974.db2.gz NPOIDKFUQVUTNP-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383455 777776556 /nfs/dbraw/zinc/77/65/56/777776556.db2.gz FMCIXRLBCSIIFV-VNQPRFMTSA-N 1 3 346.479 0.544 20 0 ECADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001080533927 777976493 /nfs/dbraw/zinc/97/64/93/777976493.db2.gz YVTPBYGFBDSGBB-QGZVFWFLSA-N 1 3 340.512 0.974 20 0 ECADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001080533927 777976499 /nfs/dbraw/zinc/97/64/99/777976499.db2.gz YVTPBYGFBDSGBB-QGZVFWFLSA-N 1 3 340.512 0.974 20 0 ECADHO CCN(C(=O)CN1CCC[C@@H]1C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001080558445 778029100 /nfs/dbraw/zinc/02/91/00/778029100.db2.gz TYUCJPDTZKLTQO-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080561268 778042879 /nfs/dbraw/zinc/04/28/79/778042879.db2.gz QWPKUPXROAMWRN-CABCVRRESA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080561268 778042885 /nfs/dbraw/zinc/04/28/85/778042885.db2.gz QWPKUPXROAMWRN-CABCVRRESA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N(C)C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001043629559 778625511 /nfs/dbraw/zinc/62/55/11/778625511.db2.gz RFDMNSCVUPWMBJ-GOEBONIOSA-N 1 3 325.453 0.275 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078794637 780500402 /nfs/dbraw/zinc/50/04/02/780500402.db2.gz JQKFFYWVCWMAHQ-HUUCEWRRSA-N 1 3 343.435 0.569 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@H]3CCC(F)(F)C3)C[C@H]2O)CC1 ZINC001077618273 781360281 /nfs/dbraw/zinc/36/02/81/781360281.db2.gz DVDMFDOXJZKXOU-NWANDNLSSA-N 1 3 345.434 0.925 20 0 ECADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001037851722 783644373 /nfs/dbraw/zinc/64/43/73/783644373.db2.gz KFBZBWJEIYLOBT-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2CCC)C[C@@H]1n1ccnn1 ZINC001070204675 783652257 /nfs/dbraw/zinc/65/22/57/783652257.db2.gz LIAZFRDSSIULQV-OAGGEKHMSA-N 1 3 334.468 0.904 20 0 ECADHO CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1NCc1ncnn1C ZINC001037925177 783705801 /nfs/dbraw/zinc/70/58/01/783705801.db2.gz MWHUVCYSMASOOF-GDBMZVCRSA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC001037933934 783712293 /nfs/dbraw/zinc/71/22/93/783712293.db2.gz NDZUWZTUZBECFD-ZBFHGGJFSA-N 1 3 347.463 0.791 20 0 ECADHO CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1NCc1cnn(C)n1 ZINC001037959751 783736781 /nfs/dbraw/zinc/73/67/81/783736781.db2.gz MBZQTGUPMHVMRC-HOCLYGCPSA-N 1 3 346.479 0.628 20 0 ECADHO CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1NCc1cnn(C)n1 ZINC001037959749 783736822 /nfs/dbraw/zinc/73/68/22/783736822.db2.gz MBZQTGUPMHVMRC-GDBMZVCRSA-N 1 3 346.479 0.628 20 0 ECADHO CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1NCc1cn(C)nn1 ZINC001037970333 783744738 /nfs/dbraw/zinc/74/47/38/783744738.db2.gz ZZTUTJBEGAPDJK-ZBFHGGJFSA-N 1 3 346.479 0.628 20 0 ECADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001070499438 784196212 /nfs/dbraw/zinc/19/62/12/784196212.db2.gz STGOVVITSNJGGE-OFQRWUPVSA-N 1 3 349.479 0.169 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001071015107 784419084 /nfs/dbraw/zinc/41/90/84/784419084.db2.gz QMVGVPSJODPTED-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001071015107 784419090 /nfs/dbraw/zinc/41/90/90/784419090.db2.gz QMVGVPSJODPTED-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001070805682 784700763 /nfs/dbraw/zinc/70/07/63/784700763.db2.gz JOKUZZZWZRLRKJ-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001070805682 784700769 /nfs/dbraw/zinc/70/07/69/784700769.db2.gz JOKUZZZWZRLRKJ-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@]2(CCN(CCO)C2)O1 ZINC001071203485 784727314 /nfs/dbraw/zinc/72/73/14/784727314.db2.gz BMGZXKWYRQSAAJ-YOEHRIQHSA-N 1 3 325.453 0.012 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001071322536 784951379 /nfs/dbraw/zinc/95/13/79/784951379.db2.gz IWQNHOOVQFJZCO-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001071322536 784951384 /nfs/dbraw/zinc/95/13/84/784951384.db2.gz IWQNHOOVQFJZCO-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1)N(C)C ZINC001071355524 784997051 /nfs/dbraw/zinc/99/70/51/784997051.db2.gz OMTKGZWUTROXDX-PMPSAXMXSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CN1CCCO ZINC001071515972 785233105 /nfs/dbraw/zinc/23/31/05/785233105.db2.gz YPSCLBTYSRDOPB-GJZGRUSLSA-N 1 3 337.468 0.410 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001072152863 785757365 /nfs/dbraw/zinc/75/73/65/785757365.db2.gz QUEDZJFCUBNOLR-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1NC(=O)CCC[NH+](C)C ZINC001072291126 785994996 /nfs/dbraw/zinc/99/49/96/785994996.db2.gz WVUPKOPXQCHXRW-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001072369307 786091893 /nfs/dbraw/zinc/09/18/93/786091893.db2.gz OAJOMOUOJOSJRA-UONOGXRCSA-N 1 3 330.436 0.960 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072480341 786250997 /nfs/dbraw/zinc/25/09/97/786250997.db2.gz CSFOETOVPYMOKR-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001073599758 786743681 /nfs/dbraw/zinc/74/36/81/786743681.db2.gz NBBNNJPSXZOSPE-JKSUJKDBSA-N 1 3 327.469 0.449 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073599758 786743692 /nfs/dbraw/zinc/74/36/92/786743692.db2.gz NBBNNJPSXZOSPE-JKSUJKDBSA-N 1 3 327.469 0.449 20 0 ECADHO CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700875 787003278 /nfs/dbraw/zinc/00/32/78/787003278.db2.gz YDKJRGQBXFUVDZ-GARNVTTQSA-N 1 3 337.464 0.467 20 0 ECADHO CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700875 787003294 /nfs/dbraw/zinc/00/32/94/787003294.db2.gz YDKJRGQBXFUVDZ-GARNVTTQSA-N 1 3 337.464 0.467 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001074877849 788477236 /nfs/dbraw/zinc/47/72/36/788477236.db2.gz PGMOTIYIQYUFPW-ILXRZTDVSA-N 1 3 337.468 0.075 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(CCn2cncn2)C3)CC[N@@H+]1C ZINC001072755046 788726131 /nfs/dbraw/zinc/72/61/31/788726131.db2.gz QJDAGVSVQOCIQW-JKSUJKDBSA-N 1 3 346.479 0.543 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(CCn2cncn2)C3)CC[N@H+]1C ZINC001072755046 788726135 /nfs/dbraw/zinc/72/61/35/788726135.db2.gz QJDAGVSVQOCIQW-JKSUJKDBSA-N 1 3 346.479 0.543 20 0 ECADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001075030859 788753730 /nfs/dbraw/zinc/75/37/30/788753730.db2.gz RXTZEMFNNZTRCN-JQFCIGGWSA-N 1 3 348.491 0.576 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001075136905 788964113 /nfs/dbraw/zinc/96/41/13/788964113.db2.gz JHCHWWBCBGQTFZ-UONOGXRCSA-N 1 3 347.463 0.790 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001075189044 789035852 /nfs/dbraw/zinc/03/58/52/789035852.db2.gz MXTXWDNFOAYJHE-KBPBESRZSA-N 1 3 335.452 0.790 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001075189044 789035861 /nfs/dbraw/zinc/03/58/61/789035861.db2.gz MXTXWDNFOAYJHE-KBPBESRZSA-N 1 3 335.452 0.790 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001075189477 789037161 /nfs/dbraw/zinc/03/71/61/789037161.db2.gz RXEBUZXTMCBYBL-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001075189477 789037171 /nfs/dbraw/zinc/03/71/71/789037171.db2.gz RXEBUZXTMCBYBL-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)CC1 ZINC001072941243 789144033 /nfs/dbraw/zinc/14/40/33/789144033.db2.gz HIFZOLNYIFXHFC-UHFFFAOYSA-N 1 3 348.491 0.485 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2 ZINC001072979564 789204283 /nfs/dbraw/zinc/20/42/83/789204283.db2.gz DAXNDYARQBLTGT-OAHLLOKOSA-N 1 3 332.452 0.297 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072979564 789204288 /nfs/dbraw/zinc/20/42/88/789204288.db2.gz DAXNDYARQBLTGT-OAHLLOKOSA-N 1 3 332.452 0.297 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072981194 789207261 /nfs/dbraw/zinc/20/72/61/789207261.db2.gz AHVGHQMZGZFERQ-HUUCEWRRSA-N 1 3 332.452 0.010 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072981194 789207267 /nfs/dbraw/zinc/20/72/67/789207267.db2.gz AHVGHQMZGZFERQ-HUUCEWRRSA-N 1 3 332.452 0.010 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1)C1CC1 ZINC001073096918 789435686 /nfs/dbraw/zinc/43/56/86/789435686.db2.gz TXXQBKZBPVPFKF-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001073491048 789898297 /nfs/dbraw/zinc/89/82/97/789898297.db2.gz NQFVOMAMIGOWPZ-CQSZACIVSA-N 1 3 335.452 0.647 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001067830405 792336411 /nfs/dbraw/zinc/33/64/11/792336411.db2.gz QZWZGGJHWWYFLO-INIZCTEOSA-N 1 3 340.512 0.977 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001067830405 792336420 /nfs/dbraw/zinc/33/64/20/792336420.db2.gz QZWZGGJHWWYFLO-INIZCTEOSA-N 1 3 340.512 0.977 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001067877581 792411416 /nfs/dbraw/zinc/41/14/16/792411416.db2.gz DNDIWBRBLMPVJR-INIZCTEOSA-N 1 3 340.512 0.977 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001067877581 792411421 /nfs/dbraw/zinc/41/14/21/792411421.db2.gz DNDIWBRBLMPVJR-INIZCTEOSA-N 1 3 340.512 0.977 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001067010480 792570990 /nfs/dbraw/zinc/57/09/90/792570990.db2.gz MZOMLSICFQCLCN-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001067010480 792570994 /nfs/dbraw/zinc/57/09/94/792570994.db2.gz MZOMLSICFQCLCN-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)CN1CCC(C)(C)C1 ZINC001408633791 837596459 /nfs/dbraw/zinc/59/64/59/837596459.db2.gz XRUPDYBKJPLWBG-HNNXBMFYSA-N 1 3 338.496 0.635 20 0 ECADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCC(C)(C)C1 ZINC001408633791 837596463 /nfs/dbraw/zinc/59/64/63/837596463.db2.gz XRUPDYBKJPLWBG-HNNXBMFYSA-N 1 3 338.496 0.635 20 0 ECADHO COc1ncc(CNCCN(C)C(=O)C2(C[NH+](C)C)CC2)c(C)n1 ZINC001266816951 836341970 /nfs/dbraw/zinc/34/19/70/836341970.db2.gz BFXPCIRUTJDGRN-UHFFFAOYSA-N 1 3 335.452 0.683 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNCCS(C)(=O)=O ZINC001266880196 836427783 /nfs/dbraw/zinc/42/77/83/836427783.db2.gz HTHOZJGURRSRTE-AWEZNQCLSA-N 1 3 333.498 0.344 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNCCS(C)(=O)=O ZINC001266880196 836427790 /nfs/dbraw/zinc/42/77/90/836427790.db2.gz HTHOZJGURRSRTE-AWEZNQCLSA-N 1 3 333.498 0.344 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCOCCO ZINC001266883579 836431269 /nfs/dbraw/zinc/43/12/69/836431269.db2.gz CJNXEDIXLAOYGO-IAGOWNOFSA-N 1 3 341.496 0.840 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCCN2CCCC2=O)C1)N(C)C ZINC001267023076 836641421 /nfs/dbraw/zinc/64/14/21/836641421.db2.gz SPNKJUCJHUQIOS-DOTOQJQBSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001408593774 837090768 /nfs/dbraw/zinc/09/07/68/837090768.db2.gz SHZSAEFSCUUNRW-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001408593773 837090835 /nfs/dbraw/zinc/09/08/35/837090835.db2.gz SHZSAEFSCUUNRW-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CCCCN1C)[NH+](C)C ZINC001408597566 837246320 /nfs/dbraw/zinc/24/63/20/837246320.db2.gz XOHRTFBELHKCAQ-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@@H](NC(=O)CNCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001267412076 837368842 /nfs/dbraw/zinc/36/88/42/837368842.db2.gz IVDGKKCXRMIPRI-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCOCCO)C1 ZINC001267791021 838570499 /nfs/dbraw/zinc/57/04/99/838570499.db2.gz UWUHDARWOOCFJG-HOTGVXAUSA-N 1 3 327.469 0.260 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCOCCO)C1 ZINC001267791021 838570503 /nfs/dbraw/zinc/57/05/03/838570503.db2.gz UWUHDARWOOCFJG-HOTGVXAUSA-N 1 3 327.469 0.260 20 0 ECADHO CC[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001408835364 838608243 /nfs/dbraw/zinc/60/82/43/838608243.db2.gz DCMFOSPPCYDECK-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)NC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCCC1)N(C)C ZINC001267839477 838635699 /nfs/dbraw/zinc/63/56/99/838635699.db2.gz SHTRJQUTVJWGIG-CHWSQXEVSA-N 1 3 338.452 0.150 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@](C)(CNCCS(C)(=O)=O)C2CC2)CC1 ZINC001267857642 838655791 /nfs/dbraw/zinc/65/57/91/838655791.db2.gz DRNCTPKVUIBMFC-MRXNPFEDSA-N 1 3 345.509 0.247 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000418877168 282116327 /nfs/dbraw/zinc/11/63/27/282116327.db2.gz NWQFHJRAMCCASO-MRXNPFEDSA-N 1 3 348.491 0.719 20 0 ECADHO CN(C)C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000354686025 282116874 /nfs/dbraw/zinc/11/68/74/282116874.db2.gz ZFVPSGDFHARMCP-HZPDHXFCSA-N 1 3 332.448 0.664 20 0 ECADHO CN(C)[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000354689278 299096901 /nfs/dbraw/zinc/09/69/01/299096901.db2.gz KETRQUXUIMJYOJ-CVEARBPZSA-N 1 3 332.448 0.664 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CCSC1 ZINC000419592307 282273993 /nfs/dbraw/zinc/27/39/93/282273993.db2.gz WOZFVXGSZVNLCA-INIZCTEOSA-N 1 3 342.509 0.318 20 0 ECADHO CNC(=O)CCN(C)Cc1ccccc1C[N@H+](C)CCC(=O)NC ZINC000171670565 529857105 /nfs/dbraw/zinc/85/71/05/529857105.db2.gz MLQJGSSQGOBFHW-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO CNC(=O)CCN(C)Cc1ccccc1C[N@@H+](C)CCC(=O)NC ZINC000171670565 529857106 /nfs/dbraw/zinc/85/71/06/529857106.db2.gz MLQJGSSQGOBFHW-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000423166390 282365106 /nfs/dbraw/zinc/36/51/06/282365106.db2.gz CMNIBJVUKAZZRI-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459929194 282445103 /nfs/dbraw/zinc/44/51/03/282445103.db2.gz DQYBTUPBKGWVJL-UHFFFAOYSA-N 1 3 336.480 0.627 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000338315628 297255878 /nfs/dbraw/zinc/25/58/78/297255878.db2.gz KGEHSHCGZYBSPG-HZPDHXFCSA-N 1 3 347.525 0.701 20 0 ECADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000355003338 299181670 /nfs/dbraw/zinc/18/16/70/299181670.db2.gz NSYWJRXVOHRUFV-IRXDYDNUSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000355003338 299181672 /nfs/dbraw/zinc/18/16/72/299181672.db2.gz NSYWJRXVOHRUFV-IRXDYDNUSA-N 1 3 348.491 0.674 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C[C@@H]21 ZINC000410712865 283079516 /nfs/dbraw/zinc/07/95/16/283079516.db2.gz PJPYDNOUNLKTLD-ZACQAIPSSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000355302330 299234907 /nfs/dbraw/zinc/23/49/07/299234907.db2.gz FEQAIAWGNPZLSI-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000355307863 299236483 /nfs/dbraw/zinc/23/64/83/299236483.db2.gz BYQGCNNLXIGEDQ-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422124450 283216613 /nfs/dbraw/zinc/21/66/13/283216613.db2.gz VKSFZTQMMZMGEB-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423411091 283231859 /nfs/dbraw/zinc/23/18/59/283231859.db2.gz FAJSZQIPBHKJGU-GOSISDBHSA-N 1 3 338.496 0.779 20 0 ECADHO C[NH2+][C@@H](C)CNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000420146247 209320230 /nfs/dbraw/zinc/32/02/30/209320230.db2.gz QLIPWIWKQLDELA-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420075720 209298926 /nfs/dbraw/zinc/29/89/26/209298926.db2.gz UAQYYBSDBPOAJX-IIAWOOMASA-N 1 3 338.496 0.999 20 0 ECADHO CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](CN)C1CC1)[NH+]1CCCC1 ZINC000420068808 209296448 /nfs/dbraw/zinc/29/64/48/209296448.db2.gz VFYGXZYYVDEUMN-HOTGVXAUSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000420033731 209284343 /nfs/dbraw/zinc/28/43/43/209284343.db2.gz WVAHZWPAPROPHE-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000420033731 209284345 /nfs/dbraw/zinc/28/43/45/209284345.db2.gz WVAHZWPAPROPHE-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO CC[N@H+](CCC1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1)CC1CC1 ZINC000420030083 209282820 /nfs/dbraw/zinc/28/28/20/209282820.db2.gz OZKWMTNVFXMWKA-AWEZNQCLSA-N 1 3 338.496 0.810 20 0 ECADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1)CC1CC1 ZINC000420030083 209282825 /nfs/dbraw/zinc/28/28/25/209282825.db2.gz OZKWMTNVFXMWKA-AWEZNQCLSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419997640 209272710 /nfs/dbraw/zinc/27/27/10/209272710.db2.gz KGPMICBTWSPIBO-BZUAXINKSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)CC[NH3+])c1 ZINC000419993830 209271900 /nfs/dbraw/zinc/27/19/00/209271900.db2.gz MMEGPPVYSCNRSC-OAHLLOKOSA-N 1 3 334.464 0.739 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000419955912 209259962 /nfs/dbraw/zinc/25/99/62/209259962.db2.gz NRYXTOVMHJXAQM-HUUCEWRRSA-N 1 3 326.485 0.570 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000419955912 209259965 /nfs/dbraw/zinc/25/99/65/209259965.db2.gz NRYXTOVMHJXAQM-HUUCEWRRSA-N 1 3 326.485 0.570 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419940213 209254234 /nfs/dbraw/zinc/25/42/34/209254234.db2.gz ZDGXKIWQFKLIEH-INIZCTEOSA-N 1 3 334.464 0.993 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419939514 209254102 /nfs/dbraw/zinc/25/41/02/209254102.db2.gz YIAOOSDBMASUBQ-GOEBONIOSA-N 1 3 332.448 0.651 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419939514 209254106 /nfs/dbraw/zinc/25/41/06/209254106.db2.gz YIAOOSDBMASUBQ-GOEBONIOSA-N 1 3 332.448 0.651 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419916448 209248302 /nfs/dbraw/zinc/24/83/02/209248302.db2.gz FNRKQOFHWOSOQQ-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419901918 209244872 /nfs/dbraw/zinc/24/48/72/209244872.db2.gz VHKCEKXBHFLMFO-KBPBESRZSA-N 1 3 336.436 0.556 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NCCC[NH2+]C ZINC000419840946 209220664 /nfs/dbraw/zinc/22/06/64/209220664.db2.gz FFCIBHXKEFSXDN-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000419769976 209201153 /nfs/dbraw/zinc/20/11/53/209201153.db2.gz FEBLOUIAVVBUOG-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000419734071 209191671 /nfs/dbraw/zinc/19/16/71/209191671.db2.gz UYGAZKLXCGTWSD-CQSZACIVSA-N 1 3 332.448 0.664 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000419785742 209204282 /nfs/dbraw/zinc/20/42/82/209204282.db2.gz ZJFKNCNIWZKQFU-SOUVJXGZSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N(C)C ZINC000236719824 242333524 /nfs/dbraw/zinc/33/35/24/242333524.db2.gz BDJPIQDTRVPEPO-HRCADAONSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419705441 209180747 /nfs/dbraw/zinc/18/07/47/209180747.db2.gz ZOZQUQTUULWRTP-HOTGVXAUSA-N 1 3 338.496 0.871 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000262976854 245278708 /nfs/dbraw/zinc/27/87/08/245278708.db2.gz YGQLMACQMMDFIA-QZTJIDSGSA-N 1 3 348.491 0.845 20 0 ECADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000419648997 209156974 /nfs/dbraw/zinc/15/69/74/209156974.db2.gz LTBWWMORGRLZQP-ZFWWWQNUSA-N 1 3 332.448 0.792 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419639552 209153690 /nfs/dbraw/zinc/15/36/90/209153690.db2.gz JRZGHVSZICHHPT-INIZCTEOSA-N 1 3 332.448 0.575 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000459913425 284349830 /nfs/dbraw/zinc/34/98/30/284349830.db2.gz WMACTPAOWMLGEI-MRXNPFEDSA-N 1 3 340.512 0.833 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000459913425 284349832 /nfs/dbraw/zinc/34/98/32/284349832.db2.gz WMACTPAOWMLGEI-MRXNPFEDSA-N 1 3 340.512 0.833 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423122736 284610406 /nfs/dbraw/zinc/61/04/06/284610406.db2.gz CRBABSNZVGIBNM-UHFFFAOYSA-N 1 3 326.485 0.763 20 0 ECADHO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC[C@H](N2CCCCC2)C1 ZINC000424141229 296280069 /nfs/dbraw/zinc/28/00/69/296280069.db2.gz CHUWEVJMNFOREM-GJZGRUSLSA-N 1 3 332.452 0.903 20 0 ECADHO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC[C@@H](N2CCCCC2)C1 ZINC000424141240 296280141 /nfs/dbraw/zinc/28/01/41/296280141.db2.gz CHUWEVJMNFOREM-LSDHHAIUSA-N 1 3 332.452 0.903 20 0 ECADHO CC1CCN(C[C@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000447822847 211210145 /nfs/dbraw/zinc/21/01/45/211210145.db2.gz SOKJIFVDXHXKCZ-OAHLLOKOSA-N 1 3 345.443 0.965 20 0 ECADHO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCN2CCN(CC)CC2)C1(C)C ZINC000444268012 211064949 /nfs/dbraw/zinc/06/49/49/211064949.db2.gz RHCCPZPVTYNTKG-YOEHRIQHSA-N 1 3 326.485 0.273 20 0 ECADHO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H](N2CCCC2)C1 ZINC000433371606 296306696 /nfs/dbraw/zinc/30/66/96/296306696.db2.gz BSOGCWCEZYOGEH-GJZGRUSLSA-N 1 3 332.452 0.903 20 0 ECADHO C[C@@H](C(=O)NCCCN1CCN(c2ccncc2)CC1)C1C[NH2+]C1 ZINC000357252442 299548813 /nfs/dbraw/zinc/54/88/13/299548813.db2.gz CZBPLCLMOLXAHF-OAHLLOKOSA-N 1 3 331.464 0.565 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237086271 285028557 /nfs/dbraw/zinc/02/85/57/285028557.db2.gz BVCTYXWPOBCDFK-CQSZACIVSA-N 1 3 336.440 0.043 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCCN(C)[C@@H](C)CC)CC1 ZINC000419522407 209116062 /nfs/dbraw/zinc/11/60/62/209116062.db2.gz MFABTHRGIJBGOD-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418744559 208842605 /nfs/dbraw/zinc/84/26/05/208842605.db2.gz ULDYVKVRJKMISG-BZUAXINKSA-N 1 3 326.485 0.896 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH2+]CC ZINC000419148416 209000363 /nfs/dbraw/zinc/00/03/63/209000363.db2.gz DEFDEXUXZNKGII-HUUCEWRRSA-N 1 3 326.485 0.871 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419169836 209011034 /nfs/dbraw/zinc/01/10/34/209011034.db2.gz MRTWVAJNTLTNTE-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO [NH3+]C1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000419424497 209091179 /nfs/dbraw/zinc/09/11/79/209091179.db2.gz OLONSGMCUOQOPU-UHFFFAOYSA-N 1 3 344.459 0.501 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000419194126 209019331 /nfs/dbraw/zinc/01/93/31/209019331.db2.gz SADATXPVNRCWQJ-UHFFFAOYSA-N 1 3 332.448 0.411 20 0 ECADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)N(C)CCN)cc2)C1 ZINC000419198960 209021028 /nfs/dbraw/zinc/02/10/28/209021028.db2.gz DCYBWPLUZBXNOX-HNNXBMFYSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)N(C)CCN)cc2)C1 ZINC000419198960 209021031 /nfs/dbraw/zinc/02/10/31/209021031.db2.gz DCYBWPLUZBXNOX-HNNXBMFYSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)N(C)CCN)cc2)C1 ZINC000419198962 209021220 /nfs/dbraw/zinc/02/12/20/209021220.db2.gz DCYBWPLUZBXNOX-OAHLLOKOSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)N(C)CCN)cc2)C1 ZINC000419198962 209021224 /nfs/dbraw/zinc/02/12/24/209021224.db2.gz DCYBWPLUZBXNOX-OAHLLOKOSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NCCN)cc2)C1 ZINC000419204198 209023706 /nfs/dbraw/zinc/02/37/06/209023706.db2.gz IMACKOUYLYSDNY-AWEZNQCLSA-N 1 3 332.448 0.610 20 0 ECADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NCCN)cc2)C1 ZINC000419204198 209023711 /nfs/dbraw/zinc/02/37/11/209023711.db2.gz IMACKOUYLYSDNY-AWEZNQCLSA-N 1 3 332.448 0.610 20 0 ECADHO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419235766 209037207 /nfs/dbraw/zinc/03/72/07/209037207.db2.gz ZLZICCSKSQZICB-UYSNPLJNSA-N 1 3 336.480 0.753 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000419289530 209050927 /nfs/dbraw/zinc/05/09/27/209050927.db2.gz UEWWVYSFZSIMKT-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419334751 209063547 /nfs/dbraw/zinc/06/35/47/209063547.db2.gz NKYBMLALGZCUES-WQVCFCJDSA-N 1 3 330.432 0.402 20 0 ECADHO CCN(C)CCNC(=O)c1cncc(C(=O)NCC[N@H+](C)CC)c1 ZINC000117982844 221104221 /nfs/dbraw/zinc/10/42/21/221104221.db2.gz ZYLGQKQNAFJYCQ-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO CCN(C)CCNC(=O)c1cncc(C(=O)NCC[N@@H+](C)CC)c1 ZINC000117982844 221104225 /nfs/dbraw/zinc/10/42/25/221104225.db2.gz ZYLGQKQNAFJYCQ-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO C[C@@H]1CN(CCC2CC[NH+](CCCS(N)(=O)=O)CC2)C[C@@H](C)O1 ZINC000177489645 164905349 /nfs/dbraw/zinc/90/53/49/164905349.db2.gz WCOPZZUBTCOLGE-HUUCEWRRSA-N 1 3 347.525 0.876 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000246369339 165133699 /nfs/dbraw/zinc/13/36/99/165133699.db2.gz LVMLXXMUCKOBBI-HOTGVXAUSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000246369339 165133701 /nfs/dbraw/zinc/13/37/01/165133701.db2.gz LVMLXXMUCKOBBI-HOTGVXAUSA-N 1 3 338.496 0.633 20 0 ECADHO NS(=O)(=O)c1ccc(OCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261808512 165245945 /nfs/dbraw/zinc/24/59/45/165245945.db2.gz GFHIFXRNQIGUBX-VBNZEHGJSA-N 1 3 339.461 0.772 20 0 ECADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000261819276 165247560 /nfs/dbraw/zinc/24/75/60/165247560.db2.gz XPMILIMFPQHVME-OAHLLOKOSA-N 1 3 340.449 0.333 20 0 ECADHO C[C@]1(CN)CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000261819276 165247563 /nfs/dbraw/zinc/24/75/63/165247563.db2.gz XPMILIMFPQHVME-OAHLLOKOSA-N 1 3 340.449 0.333 20 0 ECADHO C[C@]1(CN)CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000261819276 165247565 /nfs/dbraw/zinc/24/75/65/165247565.db2.gz XPMILIMFPQHVME-OAHLLOKOSA-N 1 3 340.449 0.333 20 0 ECADHO Cn1ccnc1[C@@H]1CNCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000261834108 165249570 /nfs/dbraw/zinc/24/95/70/165249570.db2.gz VUOULZOYEXWMDK-INIZCTEOSA-N 1 3 346.479 0.109 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000261837142 165251542 /nfs/dbraw/zinc/25/15/42/165251542.db2.gz IMEUNYDVQZYSDF-KMFMINBZSA-N 1 3 326.485 0.713 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000262330188 165331599 /nfs/dbraw/zinc/33/15/99/165331599.db2.gz FGHDUICRPSRBQB-MRXNPFEDSA-N 1 3 340.512 0.392 20 0 ECADHO CCCN1CCC(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000262373490 165340846 /nfs/dbraw/zinc/34/08/46/165340846.db2.gz MAXWMOMXHLYLKG-UHFFFAOYSA-N 1 3 345.509 0.391 20 0 ECADHO NC1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CCCCC1 ZINC000262425545 165348498 /nfs/dbraw/zinc/34/84/98/165348498.db2.gz HMZBDGLILLADKB-UHFFFAOYSA-N 1 3 340.449 0.524 20 0 ECADHO CC(C)([NH3+])C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262665377 165373310 /nfs/dbraw/zinc/37/33/10/165373310.db2.gz JEPCNUWBDVQFDL-UHFFFAOYSA-N 1 3 332.448 0.866 20 0 ECADHO COCCN1CCC(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262706975 165376425 /nfs/dbraw/zinc/37/64/25/165376425.db2.gz DMJIWHJYNAODLY-OAHLLOKOSA-N 1 3 335.452 0.648 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262759052 165384005 /nfs/dbraw/zinc/38/40/05/165384005.db2.gz FLMDGUAHOIHSAK-INIZCTEOSA-N 1 3 348.447 0.815 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401172 209081372 /nfs/dbraw/zinc/08/13/72/209081372.db2.gz OKSPRBLMXIRDKB-IJEWVQPXSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401172 209081373 /nfs/dbraw/zinc/08/13/73/209081373.db2.gz OKSPRBLMXIRDKB-IJEWVQPXSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000174711059 263150936 /nfs/dbraw/zinc/15/09/36/263150936.db2.gz UIGNMZQLOZGSQE-MRXNPFEDSA-N 1 3 339.528 0.901 20 0 ECADHO CC(C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000175121593 263151666 /nfs/dbraw/zinc/15/16/66/263151666.db2.gz SVXFUGDIJAGXEE-CYBMUJFWSA-N 1 3 332.466 0.523 20 0 ECADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000422983558 276199096 /nfs/dbraw/zinc/19/90/96/276199096.db2.gz ZYEJWYRASSUAPI-XMTFNYHQSA-N 1 3 325.497 0.826 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419915012 276247364 /nfs/dbraw/zinc/24/73/64/276247364.db2.gz OWTJGTBBCUYOLC-DOTOQJQBSA-N 1 3 346.475 0.993 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419915012 276247367 /nfs/dbraw/zinc/24/73/67/276247367.db2.gz OWTJGTBBCUYOLC-DOTOQJQBSA-N 1 3 346.475 0.993 20 0 ECADHO CCN1CCC[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175668933 276375187 /nfs/dbraw/zinc/37/51/87/276375187.db2.gz WPZQELMRIMNSMI-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CN1CCN(CCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC000479298891 277105480 /nfs/dbraw/zinc/10/54/80/277105480.db2.gz WORQEJVTVAHQLD-KURKYZTESA-N 1 3 346.475 0.204 20 0 ECADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000429766834 277243171 /nfs/dbraw/zinc/24/31/71/277243171.db2.gz AOUDKRJHGHSRHI-IXDOHACOSA-N 1 3 346.475 0.910 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000418973102 277300634 /nfs/dbraw/zinc/30/06/34/277300634.db2.gz ZVBXPQCPHIRAEB-HOCLYGCPSA-N 1 3 332.448 0.443 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419701977 278230609 /nfs/dbraw/zinc/23/06/09/278230609.db2.gz ZREUKQWUSJAFLJ-OFQRWUPVSA-N 1 3 336.480 0.848 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N(C)Cc1ccccc1 ZINC000418954986 278268262 /nfs/dbraw/zinc/26/82/62/278268262.db2.gz XCOTXHQUFCBOSI-UAGQMJEPSA-N 1 3 344.459 0.443 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000360421976 437600031 /nfs/dbraw/zinc/60/00/31/437600031.db2.gz BGJHPUCHBPLPNV-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000360422036 437600632 /nfs/dbraw/zinc/60/06/32/437600632.db2.gz BPXJBOKJSZLBGV-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419981241 279134509 /nfs/dbraw/zinc/13/45/09/279134509.db2.gz TUZLWKGVUYEWGS-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419585098 279268370 /nfs/dbraw/zinc/26/83/70/279268370.db2.gz LFSDXZMXLUYQSM-MGPQQGTHSA-N 1 3 340.468 0.206 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419585098 279268371 /nfs/dbraw/zinc/26/83/71/279268371.db2.gz LFSDXZMXLUYQSM-MGPQQGTHSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N(C)Cc1ccccc1 ZINC000418954425 279325809 /nfs/dbraw/zinc/32/58/09/279325809.db2.gz WGAAZGCFFQETNT-CJNGLKHVSA-N 1 3 332.448 0.477 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)CC[NH3+])c2)CC1 ZINC000415550195 279375121 /nfs/dbraw/zinc/37/51/21/279375121.db2.gz INZTXYFMGVNRRN-CQSZACIVSA-N 1 3 347.463 0.621 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000419016859 279393695 /nfs/dbraw/zinc/39/36/95/279393695.db2.gz ACVBVACMMVHUIU-ILXRZTDVSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423510682 279428028 /nfs/dbraw/zinc/42/80/28/279428028.db2.gz PMURFEWASZUXGA-INIZCTEOSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420056491 279428846 /nfs/dbraw/zinc/42/88/46/279428846.db2.gz IOCCVKUUBCJKSV-OLZOCXBDSA-N 1 3 328.457 0.014 20 0 ECADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000171304074 288152544 /nfs/dbraw/zinc/15/25/44/288152544.db2.gz HXCDVJNRCFXSHA-BETUJISGSA-N 1 3 326.441 0.393 20 0 ECADHO CC1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC[NH2+]CC1 ZINC000420096439 281563659 /nfs/dbraw/zinc/56/36/59/281563659.db2.gz ZQYNVCYNPWVJAZ-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CCC1 ZINC000354687238 282027195 /nfs/dbraw/zinc/02/71/95/282027195.db2.gz QIZLHXVQDLAZGE-AWEZNQCLSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C[C@H]1[NH+](C)C ZINC000343639034 437611603 /nfs/dbraw/zinc/61/16/03/437611603.db2.gz LCEYNMCOENOQPE-IJEWVQPXSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])Cc1ccccc1 ZINC000418852206 289351244 /nfs/dbraw/zinc/35/12/44/289351244.db2.gz QJLAYOASRSZRHM-INIZCTEOSA-N 1 3 348.491 0.719 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410464543 289367840 /nfs/dbraw/zinc/36/78/40/289367840.db2.gz DNCLJIHYRBPFKN-YJBOKZPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410464543 289367842 /nfs/dbraw/zinc/36/78/42/289367842.db2.gz DNCLJIHYRBPFKN-YJBOKZPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C[C@@H]21 ZINC000410954625 290160415 /nfs/dbraw/zinc/16/04/15/290160415.db2.gz PJRDSGWYXVLEFM-JJXSEGSLSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C[C@@H]21 ZINC000410954625 290160421 /nfs/dbraw/zinc/16/04/21/290160421.db2.gz PJRDSGWYXVLEFM-JJXSEGSLSA-N 1 3 334.464 0.092 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2N)cn1 ZINC000333568950 297142584 /nfs/dbraw/zinc/14/25/84/297142584.db2.gz MDRNPVTXESQNHQ-YHUYYLMFSA-N 1 3 334.468 0.729 20 0 ECADHO C[C@]1(F)CNCCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C1 ZINC000333647381 297146387 /nfs/dbraw/zinc/14/63/87/297146387.db2.gz JFOCNGXEFSQPPU-DQPZFDDXSA-N 1 3 341.475 0.546 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[NH2+]1 ZINC000333897074 297154891 /nfs/dbraw/zinc/15/48/91/297154891.db2.gz ZGJYVXBFKPZNLT-KFWWJZLASA-N 1 3 337.468 0.075 20 0 ECADHO CCN1C[C@H](C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000337568232 297196538 /nfs/dbraw/zinc/19/65/38/297196538.db2.gz BCPTVYYHOLUXGI-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1C[C@H](C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CC1=O ZINC000337568232 297196540 /nfs/dbraw/zinc/19/65/40/297196540.db2.gz BCPTVYYHOLUXGI-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000339579406 297361372 /nfs/dbraw/zinc/36/13/72/297361372.db2.gz YQCUYKLBCUFBQF-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000339752755 297378865 /nfs/dbraw/zinc/37/88/65/297378865.db2.gz GNHJSXZPPLVCGN-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000419161222 297556439 /nfs/dbraw/zinc/55/64/39/297556439.db2.gz RIAFCTSHUSNZTC-GXTWGEPZSA-N 1 3 340.468 0.064 20 0 ECADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)NC(N)=O)CC2)CC1 ZINC000341004854 297585738 /nfs/dbraw/zinc/58/57/38/297585738.db2.gz AJXVUMUDVPTVHL-UHFFFAOYSA-N 1 3 325.457 0.062 20 0 ECADHO C[C@H]1[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCCN1C ZINC000345656392 298180870 /nfs/dbraw/zinc/18/08/70/298180870.db2.gz DTEZYQIWQIXDCP-HOCLYGCPSA-N 1 3 325.501 0.794 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000346276190 298247853 /nfs/dbraw/zinc/24/78/53/298247853.db2.gz GXEBSEOHNYNRDK-GJZGRUSLSA-N 1 3 325.453 0.895 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000351523495 298774856 /nfs/dbraw/zinc/77/48/56/298774856.db2.gz OMPJSDGLACESRY-INIZCTEOSA-N 1 3 348.447 0.111 20 0 ECADHO CN(C)[C@]1(CNC(=O)NCC2([NH+](C)C)CCOCC2)CCSC1 ZINC000360669791 300013180 /nfs/dbraw/zinc/01/31/80/300013180.db2.gz QUZRVXUQXVHTCN-INIZCTEOSA-N 1 3 344.525 0.834 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1)N(C)C ZINC000360849471 300032017 /nfs/dbraw/zinc/03/20/17/300032017.db2.gz AFUVKMXKYMOAGP-HUUCEWRRSA-N 1 3 326.485 0.728 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000360854275 300032577 /nfs/dbraw/zinc/03/25/77/300032577.db2.gz YNDPSZGCVLAEMC-YESZJQIVSA-N 1 3 336.480 0.977 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000362519287 300196369 /nfs/dbraw/zinc/19/63/69/300196369.db2.gz QJOSXHCJGISEOA-CVEARBPZSA-N 1 3 326.485 0.984 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000362519287 300196372 /nfs/dbraw/zinc/19/63/72/300196372.db2.gz QJOSXHCJGISEOA-CVEARBPZSA-N 1 3 326.485 0.984 20 0 ECADHO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000363145629 300250276 /nfs/dbraw/zinc/25/02/76/300250276.db2.gz PZPBYOSXBRHAFZ-KRWDZBQOSA-N 1 3 338.496 0.336 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000363257977 300257101 /nfs/dbraw/zinc/25/71/01/300257101.db2.gz CCALGAXDTSGURF-RCCFBDPRSA-N 1 3 334.508 0.957 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000363257977 300257104 /nfs/dbraw/zinc/25/71/04/300257104.db2.gz CCALGAXDTSGURF-RCCFBDPRSA-N 1 3 334.508 0.957 20 0 ECADHO C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000363649820 300283842 /nfs/dbraw/zinc/28/38/42/300283842.db2.gz AKHLSGUZFGIMSZ-KRWDZBQOSA-N 1 3 335.496 0.668 20 0 ECADHO CCOC(=O)[C@](C)(O)C[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000364281218 300342363 /nfs/dbraw/zinc/34/23/63/300342363.db2.gz UAWXWHUINJGJGE-QGZVFWFLSA-N 1 3 328.453 0.876 20 0 ECADHO CCOC(=O)[C@](C)(O)C[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000364281218 300342365 /nfs/dbraw/zinc/34/23/65/300342365.db2.gz UAWXWHUINJGJGE-QGZVFWFLSA-N 1 3 328.453 0.876 20 0 ECADHO O=C1O[C@@]2(CN1CN1CC[C@H](N3CC=CC3)C1)C[NH+]1CCC2CC1 ZINC000496009550 304695586 /nfs/dbraw/zinc/69/55/86/304695586.db2.gz IVWNWICKXLBAKT-FUHWJXTLSA-N 1 3 332.448 0.807 20 0 ECADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074157325 436110700 /nfs/dbraw/zinc/11/07/00/436110700.db2.gz NACWWLXXHDMYMX-CVEARBPZSA-N 1 3 338.496 0.587 20 0 ECADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000377807571 301377857 /nfs/dbraw/zinc/37/78/57/301377857.db2.gz SOLCXSTVMFGASF-DOTOQJQBSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nnc2ccccn21 ZINC000077755016 436250952 /nfs/dbraw/zinc/25/09/52/436250952.db2.gz XBRHCMWZHFUQRO-UHFFFAOYSA-N 1 3 333.440 0.364 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000514726689 301614610 /nfs/dbraw/zinc/61/46/10/301614610.db2.gz HFWUJEBHAUHEOG-KBPBESRZSA-N 1 3 347.463 0.656 20 0 ECADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000516585132 301672057 /nfs/dbraw/zinc/67/20/57/301672057.db2.gz VTJDFJCGDINUPF-CQSZACIVSA-N 1 3 347.463 0.530 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCC(C)CC1 ZINC000520377583 301770380 /nfs/dbraw/zinc/77/03/80/301770380.db2.gz XRLHWESNZCXRLY-CRAIPNDOSA-N 1 3 336.480 0.435 20 0 ECADHO CCN(CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000109171960 436623662 /nfs/dbraw/zinc/62/36/62/436623662.db2.gz ZYPAULILZJKXIM-INIZCTEOSA-N 1 3 326.485 0.863 20 0 ECADHO C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000530619869 302019518 /nfs/dbraw/zinc/01/95/18/302019518.db2.gz KKHNVPSAOUIUJV-QGZVFWFLSA-N 1 3 346.475 0.867 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000535014632 302116101 /nfs/dbraw/zinc/11/61/01/302116101.db2.gz PIOWNFWNODIENE-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000114177384 436639945 /nfs/dbraw/zinc/63/99/45/436639945.db2.gz LVMLXXMUCKOBBI-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000114177384 436639948 /nfs/dbraw/zinc/63/99/48/436639948.db2.gz LVMLXXMUCKOBBI-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000546568295 302246383 /nfs/dbraw/zinc/24/63/83/302246383.db2.gz KUAXPWAOCCXMKQ-AEFFLSMTSA-N 1 3 332.448 0.476 20 0 ECADHO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000546568295 302246385 /nfs/dbraw/zinc/24/63/85/302246385.db2.gz KUAXPWAOCCXMKQ-AEFFLSMTSA-N 1 3 332.448 0.476 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000237172055 436726049 /nfs/dbraw/zinc/72/60/49/436726049.db2.gz CJGGPINYVDDEPR-IBGZPJMESA-N 1 3 346.475 0.984 20 0 ECADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)CO ZINC000154331293 436775633 /nfs/dbraw/zinc/77/56/33/436775633.db2.gz BMCUUIRRFVFDQC-ZIAGYGMSSA-N 1 3 326.485 0.861 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000159042095 436854795 /nfs/dbraw/zinc/85/47/95/436854795.db2.gz FZHPZUZMPKVVHT-HNNXBMFYSA-N 1 3 341.500 0.555 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000159042095 436854796 /nfs/dbraw/zinc/85/47/96/436854796.db2.gz FZHPZUZMPKVVHT-HNNXBMFYSA-N 1 3 341.500 0.555 20 0 ECADHO O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262416360 436932441 /nfs/dbraw/zinc/93/24/41/436932441.db2.gz PZGLMOWZZGKZJH-KSZLIROESA-N 1 3 347.459 0.271 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331502130 437106806 /nfs/dbraw/zinc/10/68/06/437106806.db2.gz LCLPJWNMNYDUDO-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000331511236 437109146 /nfs/dbraw/zinc/10/91/46/437109146.db2.gz RDUKYEOJLZVVGG-HOTGVXAUSA-N 1 3 337.512 0.962 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000331511236 437109150 /nfs/dbraw/zinc/10/91/50/437109150.db2.gz RDUKYEOJLZVVGG-HOTGVXAUSA-N 1 3 337.512 0.962 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCNC[C@](C)(F)C2)CC1 ZINC000333391481 437269248 /nfs/dbraw/zinc/26/92/48/437269248.db2.gz OWFCGTSBQRHZAK-RDJZCZTQSA-N 1 3 343.491 0.603 20 0 ECADHO C[C@@H](CNC(=O)c1cc(C(=O)NC[C@H](C)[NH+](C)C)ccn1)N(C)C ZINC000266801960 437244904 /nfs/dbraw/zinc/24/49/04/437244904.db2.gz HCMDCJQVCSWCNY-STQMWFEESA-N 1 3 335.452 0.441 20 0 ECADHO C[C@@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)[NH+](C)C)c1)N(C)C ZINC000266801960 437244906 /nfs/dbraw/zinc/24/49/06/437244906.db2.gz HCMDCJQVCSWCNY-STQMWFEESA-N 1 3 335.452 0.441 20 0 ECADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179318713 437260294 /nfs/dbraw/zinc/26/02/94/437260294.db2.gz WXYTXMUSKYTIRM-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO CN1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000333607965 437277956 /nfs/dbraw/zinc/27/79/56/437277956.db2.gz QFISWHBQPMZARP-HOTGVXAUSA-N 1 3 330.432 0.816 20 0 ECADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000180463249 437292162 /nfs/dbraw/zinc/29/21/62/437292162.db2.gz GWBAFWUGDKAOFY-KRWDZBQOSA-N 1 3 338.496 0.382 20 0 ECADHO CC[N@H+](CCNC(=O)N(C)CCCN1CCN(C)CC1)C1CC1 ZINC000182632155 437358994 /nfs/dbraw/zinc/35/89/94/437358994.db2.gz BIYKVHALIJBJDM-UHFFFAOYSA-N 1 3 325.501 0.750 20 0 ECADHO CC[N@@H+](CCNC(=O)N(C)CCCN1CCN(C)CC1)C1CC1 ZINC000182632155 437358999 /nfs/dbraw/zinc/35/89/99/437358999.db2.gz BIYKVHALIJBJDM-UHFFFAOYSA-N 1 3 325.501 0.750 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCC2(C[NH+](C)C)CCCC2)CC1=O ZINC000185079587 437423859 /nfs/dbraw/zinc/42/38/59/437423859.db2.gz ZIDCWMUIFDBLJP-HNNXBMFYSA-N 1 3 338.496 0.635 20 0 ECADHO CN(C)C/C=C/C(=O)N1CCC[C@@H](CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000268259394 437390911 /nfs/dbraw/zinc/39/09/11/437390911.db2.gz YWBJZZIXISBMNZ-BVDOPCCBSA-N 1 3 336.480 0.577 20 0 ECADHO CN(C)C/C=C/C(=O)NC[C@@H]1CCCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000268259394 437390916 /nfs/dbraw/zinc/39/09/16/437390916.db2.gz YWBJZZIXISBMNZ-BVDOPCCBSA-N 1 3 336.480 0.577 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000339582078 437474400 /nfs/dbraw/zinc/47/44/00/437474400.db2.gz QEPFUJDCFHCYSL-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000339582078 437474403 /nfs/dbraw/zinc/47/44/03/437474403.db2.gz QEPFUJDCFHCYSL-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000339580505 437474692 /nfs/dbraw/zinc/47/46/92/437474692.db2.gz SNCMVFZFZVJYRZ-INIZCTEOSA-N 1 3 338.496 0.635 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000339580505 437474695 /nfs/dbraw/zinc/47/46/95/437474695.db2.gz SNCMVFZFZVJYRZ-INIZCTEOSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000185824117 437453578 /nfs/dbraw/zinc/45/35/78/437453578.db2.gz YPYBYPGURHFZLP-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000185824117 437453581 /nfs/dbraw/zinc/45/35/81/437453581.db2.gz YPYBYPGURHFZLP-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339951218 437529429 /nfs/dbraw/zinc/52/94/29/437529429.db2.gz XEMBQRDPIWIXAO-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339951218 437529434 /nfs/dbraw/zinc/52/94/34/437529434.db2.gz XEMBQRDPIWIXAO-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1CC1 ZINC000343290924 437548713 /nfs/dbraw/zinc/54/87/13/437548713.db2.gz XJBNLWXJUBMXOF-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)C1CC1 ZINC000343290924 437548718 /nfs/dbraw/zinc/54/87/18/437548718.db2.gz XJBNLWXJUBMXOF-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1[nH]nc2c1CNCC2 ZINC000188734687 437569147 /nfs/dbraw/zinc/56/91/47/437569147.db2.gz IZWDURPANVMWDR-CQSZACIVSA-N 1 3 327.432 0.958 20 0 ECADHO CN(C)C(=O)CCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000330942433 437654276 /nfs/dbraw/zinc/65/42/76/437654276.db2.gz DAJJCNYQBSVXIB-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340481169 437660613 /nfs/dbraw/zinc/66/06/13/437660613.db2.gz KBFGLICYOSINDB-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340481169 437660616 /nfs/dbraw/zinc/66/06/16/437660616.db2.gz KBFGLICYOSINDB-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCn3ccnn3)CC2)CC1 ZINC000343677263 437625521 /nfs/dbraw/zinc/62/55/21/437625521.db2.gz CWARGDBOHZYNFY-UHFFFAOYSA-N 1 3 349.483 0.526 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C[NH+]1CCCC1 ZINC000340801842 437738507 /nfs/dbraw/zinc/73/85/07/437738507.db2.gz RSDCSPZVANLYGU-CABCVRRESA-N 1 3 336.480 0.601 20 0 ECADHO CCC[N@H+](CCCS(=O)(=O)N(C)C)CCN1CCN(CC)CC1 ZINC000344175459 437743300 /nfs/dbraw/zinc/74/33/00/437743300.db2.gz XOYJDFDSSOHSCL-UHFFFAOYSA-N 1 3 348.557 0.617 20 0 ECADHO CCC[N@@H+](CCCS(=O)(=O)N(C)C)CCN1CCN(CC)CC1 ZINC000344175459 437743305 /nfs/dbraw/zinc/74/33/05/437743305.db2.gz XOYJDFDSSOHSCL-UHFFFAOYSA-N 1 3 348.557 0.617 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340832579 437748075 /nfs/dbraw/zinc/74/80/75/437748075.db2.gz VHCAXTAUWGCRRV-OIISXLGYSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340832579 437748078 /nfs/dbraw/zinc/74/80/78/437748078.db2.gz VHCAXTAUWGCRRV-OIISXLGYSA-N 1 3 348.491 0.863 20 0 ECADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@H](C)CN ZINC000415605372 437829730 /nfs/dbraw/zinc/82/97/30/437829730.db2.gz XHRAHSKGNKLOHV-CYBMUJFWSA-N 1 3 336.436 0.809 20 0 ECADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000423759439 437825414 /nfs/dbraw/zinc/82/54/14/437825414.db2.gz PDRRHJQMZRFXLT-HUUCEWRRSA-N 1 3 325.453 0.766 20 0 ECADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCCC[NH3+])c2)CC1 ZINC000415292528 437776024 /nfs/dbraw/zinc/77/60/24/437776024.db2.gz MBYDAWDMDULUAL-UHFFFAOYSA-N 1 3 347.463 0.621 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415311313 437781100 /nfs/dbraw/zinc/78/11/00/437781100.db2.gz ZQKGNPLFAQJFAS-UHFFFAOYSA-N 1 3 336.436 0.600 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415314204 437781322 /nfs/dbraw/zinc/78/13/22/437781322.db2.gz XGNXOONNRVOQKZ-UHFFFAOYSA-N 1 3 332.448 0.927 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000356549024 437785022 /nfs/dbraw/zinc/78/50/22/437785022.db2.gz MTOAYXAPYFGYTM-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000356549024 437785026 /nfs/dbraw/zinc/78/50/26/437785026.db2.gz MTOAYXAPYFGYTM-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000423674542 437799219 /nfs/dbraw/zinc/79/92/19/437799219.db2.gz DDLIFJKETOEVIJ-UHFFFAOYSA-N 1 3 346.475 0.918 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000423714578 437810276 /nfs/dbraw/zinc/81/02/76/437810276.db2.gz GKEOXSXYSZQWHG-JKSUJKDBSA-N 1 3 338.496 0.907 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415485985 437810932 /nfs/dbraw/zinc/81/09/32/437810932.db2.gz DXBWVHRALUFVTQ-OAHLLOKOSA-N 1 3 348.447 0.776 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423726689 437813488 /nfs/dbraw/zinc/81/34/88/437813488.db2.gz UHSIEDLZPHWCLX-BHYGNILZSA-N 1 3 344.459 0.382 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423726689 437813492 /nfs/dbraw/zinc/81/34/92/437813492.db2.gz UHSIEDLZPHWCLX-BHYGNILZSA-N 1 3 344.459 0.382 20 0 ECADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415536311 437815430 /nfs/dbraw/zinc/81/54/30/437815430.db2.gz FBCQADSBGJQEGZ-UONOGXRCSA-N 1 3 332.448 0.925 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CC1=O ZINC000423981617 437871066 /nfs/dbraw/zinc/87/10/66/437871066.db2.gz TYIHNEZXQNRFPO-ARFHVFGLSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000341640599 437876860 /nfs/dbraw/zinc/87/68/60/437876860.db2.gz OJYFZARTINPEQM-MRXNPFEDSA-N 1 3 340.512 0.345 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000341640599 437876865 /nfs/dbraw/zinc/87/68/65/437876865.db2.gz OJYFZARTINPEQM-MRXNPFEDSA-N 1 3 340.512 0.345 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C[NH3+])c(C)c2)CC1 ZINC000415650865 437836249 /nfs/dbraw/zinc/83/62/49/437836249.db2.gz JRLZXNPSAYMLFD-AWEZNQCLSA-N 1 3 347.463 0.539 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000415677577 437840336 /nfs/dbraw/zinc/84/03/36/437840336.db2.gz UZRRFNARDXXGTL-OKILXGFUSA-N 1 3 346.431 0.243 20 0 ECADHO [NH3+][C@H]1CCc2ncc(NC(=O)NC[C@H]3CCCCN3CCO)cc2C1 ZINC000415967500 437883349 /nfs/dbraw/zinc/88/33/49/437883349.db2.gz WTMJRPUWSGYEKC-GOEBONIOSA-N 1 3 347.463 0.866 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000347990360 437991359 /nfs/dbraw/zinc/99/13/59/437991359.db2.gz ZAMAWTIQECOXQH-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](NC)c2cnn(C)c2)CC1 ZINC000357247852 437946531 /nfs/dbraw/zinc/94/65/31/437946531.db2.gz QHMZLTJZNLBDPC-ZBFHGGJFSA-N 1 3 336.484 0.070 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCCCC[N@H+](C)C3CC3)C[C@H]2N)cn1 ZINC000424484143 437953774 /nfs/dbraw/zinc/95/37/74/437953774.db2.gz ZUWMXGOBJQFOJV-JKSUJKDBSA-N 1 3 334.468 0.731 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCCCC[N@@H+](C)C3CC3)C[C@H]2N)cn1 ZINC000424484143 437953784 /nfs/dbraw/zinc/95/37/84/437953784.db2.gz ZUWMXGOBJQFOJV-JKSUJKDBSA-N 1 3 334.468 0.731 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424492024 437955200 /nfs/dbraw/zinc/95/52/00/437955200.db2.gz GQHIIESKSDYTAO-DLBZAZTESA-N 1 3 344.459 0.397 20 0 ECADHO O=C(NCC1C[NH2+]C1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424541193 437970616 /nfs/dbraw/zinc/97/06/16/437970616.db2.gz HHBMKQBPIMJOTC-DLBZAZTESA-N 1 3 342.443 0.055 20 0 ECADHO CN(CC[NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417019688 438013288 /nfs/dbraw/zinc/01/32/88/438013288.db2.gz LPMAVLJHIPTUSI-KRWDZBQOSA-N 1 3 333.480 0.965 20 0 ECADHO CN(CC[NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417014655 438014614 /nfs/dbraw/zinc/01/46/14/438014614.db2.gz FSFHOGRNBPHYFV-UHFFFAOYSA-N 1 3 333.480 0.794 20 0 ECADHO COCCN(C)CCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417089029 438022401 /nfs/dbraw/zinc/02/24/01/438022401.db2.gz INKPVRHIIKGWLB-JKSUJKDBSA-N 1 3 326.485 0.986 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417383835 438047032 /nfs/dbraw/zinc/04/70/32/438047032.db2.gz KUBDUVWPAFSAOL-QGZVFWFLSA-N 1 3 348.495 0.876 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000342314382 437994212 /nfs/dbraw/zinc/99/42/12/437994212.db2.gz ZFWIGBPZBGOJIE-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000342314382 437994215 /nfs/dbraw/zinc/99/42/15/437994215.db2.gz ZFWIGBPZBGOJIE-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)[C@H]2CN(C(C)C)CCO2)CC1 ZINC000366012107 438004691 /nfs/dbraw/zinc/00/46/91/438004691.db2.gz VHKPBILRUHYQDN-MRXNPFEDSA-N 1 3 326.485 0.239 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000416974495 438010163 /nfs/dbraw/zinc/01/01/63/438010163.db2.gz LMCCRRBYEWXLNU-INIZCTEOSA-N 1 3 349.479 0.330 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417951941 438093283 /nfs/dbraw/zinc/09/32/83/438093283.db2.gz NSDGEUZBBNYGKC-UKRRQHHQSA-N 1 3 335.452 0.819 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C1=CCN(C)CC1 ZINC000348760070 438093660 /nfs/dbraw/zinc/09/36/60/438093660.db2.gz FCGYMMLUGZWGEH-HUUCEWRRSA-N 1 3 336.480 0.553 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C1=CCN(C)CC1 ZINC000348760070 438093665 /nfs/dbraw/zinc/09/36/65/438093665.db2.gz FCGYMMLUGZWGEH-HUUCEWRRSA-N 1 3 336.480 0.553 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1)C1=CCN(C)CC1 ZINC000348761187 438095680 /nfs/dbraw/zinc/09/56/80/438095680.db2.gz IFGPCTLTPRGURI-HNNXBMFYSA-N 1 3 348.491 0.840 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417471982 438053325 /nfs/dbraw/zinc/05/33/25/438053325.db2.gz HWKPRJBVZMFIKX-MRXNPFEDSA-N 1 3 349.479 0.761 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000417475602 438054986 /nfs/dbraw/zinc/05/49/86/438054986.db2.gz PKRNCEYWAFCENY-MRXNPFEDSA-N 1 3 347.463 0.515 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCc1ccncc1OCCN(C)C ZINC000418185835 438116364 /nfs/dbraw/zinc/11/63/64/438116364.db2.gz BMLPOCJJTXUBBQ-DZGCQCFKSA-N 1 3 335.452 0.962 20 0 ECADHO C[NH2+]CC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000430799784 438122832 /nfs/dbraw/zinc/12/28/32/438122832.db2.gz MHZDFXHMBMNPAG-UHFFFAOYSA-N 1 3 346.475 0.693 20 0 ECADHO [NH3+]CCNC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000418296273 438124626 /nfs/dbraw/zinc/12/46/26/438124626.db2.gz JQEXYBHGYUCYKF-MRXNPFEDSA-N 1 3 346.479 0.584 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000343013819 438105798 /nfs/dbraw/zinc/10/57/98/438105798.db2.gz FUZLUAYUNQWMJP-ZBFHGGJFSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000343014639 438106304 /nfs/dbraw/zinc/10/63/04/438106304.db2.gz KATGXDMGSQCFSJ-CQSZACIVSA-N 1 3 342.484 0.060 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000343014639 438106311 /nfs/dbraw/zinc/10/63/11/438106311.db2.gz KATGXDMGSQCFSJ-CQSZACIVSA-N 1 3 342.484 0.060 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)C(=O)NCCN(C)C ZINC000418358746 438132937 /nfs/dbraw/zinc/13/29/37/438132937.db2.gz ZKNSGAQGFZXYOH-CABCVRRESA-N 1 3 341.500 0.378 20 0 ECADHO O=C(CNC(=O)NC[C@@H]1CCC[NH2+]1)NCCN1CCCCCC1 ZINC000418366452 438136940 /nfs/dbraw/zinc/13/69/40/438136940.db2.gz KFLFNZIBBVECMZ-AWEZNQCLSA-N 1 3 325.457 0.030 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418465442 438148899 /nfs/dbraw/zinc/14/88/99/438148899.db2.gz MXHRJJMSIQVMPQ-LSDHHAIUSA-N 1 3 339.484 0.452 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000349831333 438183203 /nfs/dbraw/zinc/18/32/03/438183203.db2.gz HYBRLHHIJLBCCG-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000349831333 438183207 /nfs/dbraw/zinc/18/32/07/438183207.db2.gz HYBRLHHIJLBCCG-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418805528 438193790 /nfs/dbraw/zinc/19/37/90/438193790.db2.gz BDORXFMEBNQYFE-LPHOPBHVSA-N 1 3 344.459 0.635 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@H]1CCCCN1CCO ZINC000418587092 438162074 /nfs/dbraw/zinc/16/20/74/438162074.db2.gz QTEANRXHMNIKHU-QGZVFWFLSA-N 1 3 332.448 0.936 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000418608248 438165172 /nfs/dbraw/zinc/16/51/72/438165172.db2.gz RMZZESVEAURTHY-HUUCEWRRSA-N 1 3 339.484 0.323 20 0 ECADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000418647598 438170244 /nfs/dbraw/zinc/17/02/44/438170244.db2.gz GTZKALQUEIUZGW-WMZOPIPTSA-N 1 3 345.491 0.938 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418851422 438215977 /nfs/dbraw/zinc/21/59/77/438215977.db2.gz PWJFBXCUSUWKHK-OIISXLGYSA-N 1 3 346.475 0.390 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1ccccc1 ZINC000418860262 438221938 /nfs/dbraw/zinc/22/19/38/438221938.db2.gz LYPKDPTWFYBETE-GDBMZVCRSA-N 1 3 334.464 0.991 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418875607 438230055 /nfs/dbraw/zinc/23/00/55/438230055.db2.gz KXJBEJWCEDUPAM-ULQDDVLXSA-N 1 3 346.475 0.662 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418815094 438198442 /nfs/dbraw/zinc/19/84/42/438198442.db2.gz KJHDNSMDGXPUJZ-IBGZPJMESA-N 1 3 346.475 0.883 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418832490 438205485 /nfs/dbraw/zinc/20/54/85/438205485.db2.gz ZHWNMAKVUTYBMP-DNVCBOLYSA-N 1 3 346.475 0.868 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)CC[NH2+]C)c1ccccc1 ZINC000418839750 438208529 /nfs/dbraw/zinc/20/85/29/438208529.db2.gz DNONEDCMDQPMSE-MRXNPFEDSA-N 1 3 334.464 0.864 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N(C)Cc1ccccc1 ZINC000418941461 438257429 /nfs/dbraw/zinc/25/74/29/438257429.db2.gz IAJBXXFYKRCSNC-VYDXJSESSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000351527240 438278315 /nfs/dbraw/zinc/27/83/15/438278315.db2.gz YYUCTYVGLLVSDG-PVAVHDDUSA-N 1 3 344.459 0.634 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000351526960 438279165 /nfs/dbraw/zinc/27/91/65/438279165.db2.gz YCAWZEZVZUFSTH-IRXDYDNUSA-N 1 3 344.459 0.635 20 0 ECADHO CN(CCCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000419010981 438285885 /nfs/dbraw/zinc/28/58/85/438285885.db2.gz ZMYMSSQLQLDHNK-QGZVFWFLSA-N 1 3 346.475 0.883 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419022775 438290318 /nfs/dbraw/zinc/29/03/18/438290318.db2.gz IPHFDAXPWRLITK-ZNMIVQPWSA-N 1 3 336.480 0.505 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419027953 438295851 /nfs/dbraw/zinc/29/58/51/438295851.db2.gz PIXSMKDXSTVRPI-RVKKMQEKSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000351734074 438328382 /nfs/dbraw/zinc/32/83/82/438328382.db2.gz LKRPJLCKGAQBAR-BRWVUGGUSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000351734074 438328384 /nfs/dbraw/zinc/32/83/84/438328384.db2.gz LKRPJLCKGAQBAR-BRWVUGGUSA-N 1 3 337.512 0.938 20 0 ECADHO O=C(C[C@@H]1CSCCN1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000434885229 438333044 /nfs/dbraw/zinc/33/30/44/438333044.db2.gz HYYCRUNMHKFZPC-UKRRQHHQSA-N 1 3 327.494 0.699 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419124680 438333893 /nfs/dbraw/zinc/33/38/93/438333893.db2.gz RLQOHYAJRJXIQQ-PMPSAXMXSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419124678 438334922 /nfs/dbraw/zinc/33/49/22/438334922.db2.gz RLQOHYAJRJXIQQ-OAGGEKHMSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N1CCC(C)CC1 ZINC000419141485 438345612 /nfs/dbraw/zinc/34/56/12/438345612.db2.gz ATAKDXGTDXXWSP-ZBFHGGJFSA-N 1 3 338.496 0.857 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000419030878 438296909 /nfs/dbraw/zinc/29/69/09/438296909.db2.gz ULVVULPJPZDKDD-QXSJWSMHSA-N 1 3 338.496 0.537 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419031377 438297362 /nfs/dbraw/zinc/29/73/62/438297362.db2.gz VIHLKDMRLDQRLB-XFIYOXNOSA-N 1 3 338.496 0.665 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)C1 ZINC000419030875 438298100 /nfs/dbraw/zinc/29/81/00/438298100.db2.gz ULVVULPJPZDKDD-FPCVCCKLSA-N 1 3 338.496 0.537 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC000358787802 438302311 /nfs/dbraw/zinc/30/23/11/438302311.db2.gz ONYDKTJJEBVSCP-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC000358787802 438302316 /nfs/dbraw/zinc/30/23/16/438302316.db2.gz ONYDKTJJEBVSCP-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000358817431 438308484 /nfs/dbraw/zinc/30/84/84/438308484.db2.gz CAYKZMVIHOUYKI-KFWWJZLASA-N 1 3 340.512 0.878 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000358843623 438314299 /nfs/dbraw/zinc/31/42/99/438314299.db2.gz CEXZVEIYFMWHSS-KGLIPLIRSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171648 438390118 /nfs/dbraw/zinc/39/01/18/438390118.db2.gz UFDPLXNBOQLJPO-HNNXBMFYSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419146589 438348302 /nfs/dbraw/zinc/34/83/02/438348302.db2.gz BIOFNRWDAADTBZ-GDBMZVCRSA-N 1 3 332.448 0.131 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419146589 438348308 /nfs/dbraw/zinc/34/83/08/438348308.db2.gz BIOFNRWDAADTBZ-GDBMZVCRSA-N 1 3 332.448 0.131 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419373119 438354828 /nfs/dbraw/zinc/35/48/28/438354828.db2.gz NMQJPWIGKZGBOX-JKSUJKDBSA-N 1 3 338.496 0.666 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419406461 438358320 /nfs/dbraw/zinc/35/83/20/438358320.db2.gz IXFCFXLXRKXHHF-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419521892 438361948 /nfs/dbraw/zinc/36/19/48/438361948.db2.gz LKSAGDFARKFMGD-XQQFMLRXSA-N 1 3 328.457 0.062 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419521892 438361952 /nfs/dbraw/zinc/36/19/52/438361952.db2.gz LKSAGDFARKFMGD-XQQFMLRXSA-N 1 3 328.457 0.062 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C1=CCN(C)CC1 ZINC000419632882 438365346 /nfs/dbraw/zinc/36/53/46/438365346.db2.gz YCZRBXXQCQQJMQ-CZUORRHYSA-N 1 3 336.480 0.777 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419648833 438365500 /nfs/dbraw/zinc/36/55/00/438365500.db2.gz BHGHIHJWWQHABE-IJEWVQPXSA-N 1 3 332.448 0.619 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419708423 438368982 /nfs/dbraw/zinc/36/89/82/438368982.db2.gz FZFYOMPJHGKRQE-CABCVRRESA-N 1 3 326.485 0.857 20 0 ECADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000378311272 438373582 /nfs/dbraw/zinc/37/35/82/438373582.db2.gz CZWUAHJAVQEAHD-KRWDZBQOSA-N 1 3 332.448 0.955 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)o1 ZINC000419854180 438375861 /nfs/dbraw/zinc/37/58/61/438375861.db2.gz BJOKEJSVCHHGMA-OAHLLOKOSA-N 1 3 336.436 0.332 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000352097307 438381161 /nfs/dbraw/zinc/38/11/61/438381161.db2.gz QYMJWEXEIQVEHR-HOCLYGCPSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000352097307 438381165 /nfs/dbraw/zinc/38/11/65/438381165.db2.gz QYMJWEXEIQVEHR-HOCLYGCPSA-N 1 3 326.485 0.857 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)C2CCCC2)C[C@@H]1C ZINC000420092187 438384604 /nfs/dbraw/zinc/38/46/04/438384604.db2.gz VNKDNEMNSXYMAR-BPUTZDHNSA-N 1 3 338.496 0.951 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)C2CCCC2)C[C@@H]1C ZINC000420092187 438384611 /nfs/dbraw/zinc/38/46/11/438384611.db2.gz VNKDNEMNSXYMAR-BPUTZDHNSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000389914592 438429737 /nfs/dbraw/zinc/42/97/37/438429737.db2.gz KOSSCLJXYJNMGK-RDJZCZTQSA-N 1 3 344.459 0.445 20 0 ECADHO O=C(CN1CC[NH2+]CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391010935 438436361 /nfs/dbraw/zinc/43/63/61/438436361.db2.gz KODIZHICSOHPOP-SFHVURJKSA-N 1 3 346.475 0.299 20 0 ECADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000420336117 438398566 /nfs/dbraw/zinc/39/85/66/438398566.db2.gz VKQILRZAJKGAFF-SJORKVTESA-N 1 3 348.491 0.389 20 0 ECADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000359324229 438411585 /nfs/dbraw/zinc/41/15/85/438411585.db2.gz QIJPONPHVXDIDW-LBPRGKRZSA-N 1 3 327.450 0.441 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000422116696 438523209 /nfs/dbraw/zinc/52/32/09/438523209.db2.gz LDOKWNRHMSLRTM-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000422116696 438523214 /nfs/dbraw/zinc/52/32/14/438523214.db2.gz LDOKWNRHMSLRTM-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422125441 438524565 /nfs/dbraw/zinc/52/45/65/438524565.db2.gz WEDVJDBLZXZVHO-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422277078 438541402 /nfs/dbraw/zinc/54/14/02/438541402.db2.gz HMLPIUCMZUYABB-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422277078 438541406 /nfs/dbraw/zinc/54/14/06/438541406.db2.gz HMLPIUCMZUYABB-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CNC(=O)NCCN1CCN(C)C(C)(C)C1)[N@H+](C)C1CC1 ZINC000440982986 438573158 /nfs/dbraw/zinc/57/31/58/438573158.db2.gz MMNIQJQYOJSVPD-AWEZNQCLSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@@H](CNC(=O)NCCN1CCN(C)C(C)(C)C1)[N@@H+](C)C1CC1 ZINC000440982986 438573160 /nfs/dbraw/zinc/57/31/60/438573160.db2.gz MMNIQJQYOJSVPD-AWEZNQCLSA-N 1 3 325.501 0.794 20 0 ECADHO CCS(=O)(=O)N1CC(CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000423056798 438633455 /nfs/dbraw/zinc/63/34/55/438633455.db2.gz GJXIKUONQWHJKH-BBRMVZONSA-N 1 3 325.478 0.816 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423059426 438634688 /nfs/dbraw/zinc/63/46/88/438634688.db2.gz FRLVHEHWNVKTCR-GOSISDBHSA-N 1 3 338.496 0.635 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423152272 438643730 /nfs/dbraw/zinc/64/37/30/438643730.db2.gz LLBNBJLFWXKVNR-JYJNAYRXSA-N 1 3 334.464 0.284 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423212012 438648873 /nfs/dbraw/zinc/64/88/73/438648873.db2.gz LKZOWZVRMQCJGE-HZPDHXFCSA-N 1 3 336.480 0.389 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000423261392 438654725 /nfs/dbraw/zinc/65/47/25/438654725.db2.gz SDLMRSSRBZKZPH-KRWDZBQOSA-N 1 3 346.475 0.835 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423378259 438667893 /nfs/dbraw/zinc/66/78/93/438667893.db2.gz WJSZLTQEAIAJJC-CABCVRRESA-N 1 3 348.447 0.238 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410911210 438668629 /nfs/dbraw/zinc/66/86/29/438668629.db2.gz COPMEGJSKMZUEL-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410911210 438668633 /nfs/dbraw/zinc/66/86/33/438668633.db2.gz COPMEGJSKMZUEL-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411016655 438668925 /nfs/dbraw/zinc/66/89/25/438668925.db2.gz ARQVHRGDZXPGMJ-JKSUJKDBSA-N 1 3 338.496 0.870 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000423571701 438690306 /nfs/dbraw/zinc/69/03/06/438690306.db2.gz WJQZOIAVTLUBNX-AWEZNQCLSA-N 1 3 334.420 0.515 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CN1C1CC1 ZINC000414181054 438699457 /nfs/dbraw/zinc/69/94/57/438699457.db2.gz BSDUEJZEIQBMDX-IAGOWNOFSA-N 1 3 336.524 0.998 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000553355026 438750222 /nfs/dbraw/zinc/75/02/22/438750222.db2.gz UZMNZFCMSKGZRI-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000576146540 438770246 /nfs/dbraw/zinc/77/02/46/438770246.db2.gz MPHASQKPTDBRST-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000576412528 438782266 /nfs/dbraw/zinc/78/22/66/438782266.db2.gz XFTPTXHHIJBYNW-MSOLQXFVSA-N 1 3 346.475 0.933 20 0 ECADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000576412528 438782269 /nfs/dbraw/zinc/78/22/69/438782269.db2.gz XFTPTXHHIJBYNW-MSOLQXFVSA-N 1 3 346.475 0.933 20 0 ECADHO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000576434479 438783620 /nfs/dbraw/zinc/78/36/20/438783620.db2.gz VWPMVXCJJWQUNK-MRXNPFEDSA-N 1 3 334.464 0.284 20 0 ECADHO COC(=O)CNC(=O)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000595510530 438812077 /nfs/dbraw/zinc/81/20/77/438812077.db2.gz LGJFEJOBAQSISL-UHFFFAOYSA-N 1 3 333.432 0.920 20 0 ECADHO Cn1cc(-c2cc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)on2)cn1 ZINC000514603619 438818601 /nfs/dbraw/zinc/81/86/01/438818601.db2.gz SVNQRJRRTWIKBK-GFCCVEGCSA-N 1 3 332.408 0.362 20 0 ECADHO CCN1CC[C@H](N(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@@H](C)C1 ZINC000577399433 438839645 /nfs/dbraw/zinc/83/96/45/438839645.db2.gz KQBMZEIDUBNJLN-DZKIICNBSA-N 1 3 334.468 0.832 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 ZINC000515053203 438845693 /nfs/dbraw/zinc/84/56/93/438845693.db2.gz NYXVUPUFRYJAOS-SHTZXODSSA-N 1 3 341.500 0.413 20 0 ECADHO CN(C)[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)C1CCCCC1 ZINC000577054547 438809346 /nfs/dbraw/zinc/80/93/46/438809346.db2.gz AFBXBWJEQUBYHP-ZWKOTPCHSA-N 1 3 326.529 0.695 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000577054547 438809349 /nfs/dbraw/zinc/80/93/49/438809349.db2.gz AFBXBWJEQUBYHP-ZWKOTPCHSA-N 1 3 326.529 0.695 20 0 ECADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000564956371 438894773 /nfs/dbraw/zinc/89/47/73/438894773.db2.gz JTTHEMSNLYYZFZ-HOTGVXAUSA-N 1 3 328.420 0.470 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000564956371 438894777 /nfs/dbraw/zinc/89/47/77/438894777.db2.gz JTTHEMSNLYYZFZ-HOTGVXAUSA-N 1 3 328.420 0.470 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458368552 438876088 /nfs/dbraw/zinc/87/60/88/438876088.db2.gz ODWOJSVMCQLSTI-CVEARBPZSA-N 1 3 342.484 0.243 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458368552 438876093 /nfs/dbraw/zinc/87/60/93/438876093.db2.gz ODWOJSVMCQLSTI-CVEARBPZSA-N 1 3 342.484 0.243 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000577843663 438876772 /nfs/dbraw/zinc/87/67/72/438876772.db2.gz UHRPBMXVKBUQSV-AQFXKWCLSA-N 1 3 337.512 0.938 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000577843663 438876776 /nfs/dbraw/zinc/87/67/76/438876776.db2.gz UHRPBMXVKBUQSV-AQFXKWCLSA-N 1 3 337.512 0.938 20 0 ECADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)CN1CCOCC1 ZINC000564852917 438879213 /nfs/dbraw/zinc/87/92/13/438879213.db2.gz UQGMIRUIAQDEOI-SQNIBIBYSA-N 1 3 341.496 0.037 20 0 ECADHO CN1CCN(CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000564910602 438887164 /nfs/dbraw/zinc/88/71/64/438887164.db2.gz GUFZLAJKECOQSO-CQSZACIVSA-N 1 3 334.468 0.244 20 0 ECADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000516771368 438925428 /nfs/dbraw/zinc/92/54/28/438925428.db2.gz JXNGGEJNIKCDSK-IIAWOOMASA-N 1 3 332.452 0.586 20 0 ECADHO CN1CCC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000590859581 438963129 /nfs/dbraw/zinc/96/31/29/438963129.db2.gz LSZQHNUSCYLHON-OAHLLOKOSA-N 1 3 337.468 0.030 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CCSC1 ZINC000579023354 438975063 /nfs/dbraw/zinc/97/50/63/438975063.db2.gz OASYYNOFKTXHIQ-HNNXBMFYSA-N 1 3 325.482 0.612 20 0 ECADHO C[C@H]1CN(CCCNC(=O)C(=O)N(C)CCC[NH+](C)C)CCCO1 ZINC000579048943 438977153 /nfs/dbraw/zinc/97/71/53/438977153.db2.gz DHXFJNYZEGRXJJ-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000591024326 438977396 /nfs/dbraw/zinc/97/73/96/438977396.db2.gz HVMDFSSURITORD-DLBZAZTESA-N 1 3 337.512 0.940 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000591024326 438977399 /nfs/dbraw/zinc/97/73/99/438977399.db2.gz HVMDFSSURITORD-DLBZAZTESA-N 1 3 337.512 0.940 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000518753920 439008182 /nfs/dbraw/zinc/00/81/82/439008182.db2.gz WYDVCHWXTJFVNO-JKSUJKDBSA-N 1 3 334.464 0.141 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000459996635 439051916 /nfs/dbraw/zinc/05/19/16/439051916.db2.gz QPXCNKCULDJLEY-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459996635 439051922 /nfs/dbraw/zinc/05/19/22/439051922.db2.gz QPXCNKCULDJLEY-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO COCCOC[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000580064327 439058952 /nfs/dbraw/zinc/05/89/52/439058952.db2.gz XFAYAWLDGIVYFB-IXDOHACOSA-N 1 3 330.469 0.368 20 0 ECADHO COCCOC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000580064327 439058956 /nfs/dbraw/zinc/05/89/56/439058956.db2.gz XFAYAWLDGIVYFB-IXDOHACOSA-N 1 3 330.469 0.368 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000459897499 439028844 /nfs/dbraw/zinc/02/88/44/439028844.db2.gz GOYINBAQUDWXMV-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO C[NH+](C)CCOCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000471654968 439090337 /nfs/dbraw/zinc/09/03/37/439090337.db2.gz PLWKEPCNUTXQPM-UHFFFAOYSA-N 1 3 342.484 0.318 20 0 ECADHO C[C@@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)CN1CCCCC1 ZINC000602472826 439093606 /nfs/dbraw/zinc/09/36/06/439093606.db2.gz LKRPZQDRVVNKHK-RCDICMHDSA-N 1 3 329.510 0.725 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000521417324 439117310 /nfs/dbraw/zinc/11/73/10/439117310.db2.gz YBKMJVOJXHMYSM-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000521417324 439117314 /nfs/dbraw/zinc/11/73/14/439117314.db2.gz YBKMJVOJXHMYSM-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000460077461 439077104 /nfs/dbraw/zinc/07/71/04/439077104.db2.gz FSPSTCNAZHULCV-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000460077461 439077110 /nfs/dbraw/zinc/07/71/10/439077110.db2.gz FSPSTCNAZHULCV-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000566667847 439079477 /nfs/dbraw/zinc/07/94/77/439079477.db2.gz MUVOLGBXJURQOH-HZPDHXFCSA-N 1 3 349.483 0.958 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000566667847 439079485 /nfs/dbraw/zinc/07/94/85/439079485.db2.gz MUVOLGBXJURQOH-HZPDHXFCSA-N 1 3 349.483 0.958 20 0 ECADHO CO[C@@H]1CN(CCCCC[NH+]2C[C@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488021120 439170803 /nfs/dbraw/zinc/17/08/03/439170803.db2.gz CRXZUZIBIGCWON-LUKYLMHMSA-N 1 3 330.469 0.848 20 0 ECADHO CO[C@@H]1C[N@@H+](CCCCCN2C[C@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488021120 439170808 /nfs/dbraw/zinc/17/08/08/439170808.db2.gz CRXZUZIBIGCWON-LUKYLMHMSA-N 1 3 330.469 0.848 20 0 ECADHO CO[C@@H]1C[N@H+](CCCCCN2C[C@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488021120 439170809 /nfs/dbraw/zinc/17/08/09/439170809.db2.gz CRXZUZIBIGCWON-LUKYLMHMSA-N 1 3 330.469 0.848 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccn1 ZINC000580941913 439149628 /nfs/dbraw/zinc/14/96/28/439149628.db2.gz KGRWATRKQWVGGZ-JKSUJKDBSA-N 1 3 347.463 0.773 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000567880228 439191614 /nfs/dbraw/zinc/19/16/14/439191614.db2.gz DXAZAZZWJXJGCN-HUUCEWRRSA-N 1 3 334.464 0.867 20 0 ECADHO CCn1ccnc1CN(C(=O)COC1CNC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000567906922 439196382 /nfs/dbraw/zinc/19/63/82/439196382.db2.gz IMTKSHPJAODMHW-OAHLLOKOSA-N 1 3 347.463 0.362 20 0 ECADHO N[C@@H]1CN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H]1c1ccccc1F ZINC000581309680 439197833 /nfs/dbraw/zinc/19/78/33/439197833.db2.gz IXIVBVGXIVDBKO-MTADEUBHSA-N 1 3 345.418 0.894 20 0 ECADHO Cc1ncc2c(n1)CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000524934603 439197959 /nfs/dbraw/zinc/19/79/59/439197959.db2.gz ARKHDPHYYPYLSH-INIZCTEOSA-N 1 3 348.495 0.777 20 0 ECADHO CCN1CCO[C@@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)C1 ZINC000525315267 439207718 /nfs/dbraw/zinc/20/77/18/439207718.db2.gz QNAFRJNNQLVHCH-MRXNPFEDSA-N 1 3 333.436 0.493 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000592757651 439274002 /nfs/dbraw/zinc/27/40/02/439274002.db2.gz QEYDAEOCCDGUIO-CVEARBPZSA-N 1 3 336.480 0.802 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000592757651 439274004 /nfs/dbraw/zinc/27/40/04/439274004.db2.gz QEYDAEOCCDGUIO-CVEARBPZSA-N 1 3 336.480 0.802 20 0 ECADHO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@H]1CN1CCCC1 ZINC000581937691 439267112 /nfs/dbraw/zinc/26/71/12/439267112.db2.gz CRWFODREYNCRKC-LPHOPBHVSA-N 1 3 348.491 0.675 20 0 ECADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000569455532 439335586 /nfs/dbraw/zinc/33/55/86/439335586.db2.gz JXNOOZXQZSFHAX-BZUAXINKSA-N 1 3 338.496 0.727 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000569146223 439308741 /nfs/dbraw/zinc/30/87/41/439308741.db2.gz MUDOYFZFXKGURK-OAHLLOKOSA-N 1 3 338.496 0.683 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000582534043 439348323 /nfs/dbraw/zinc/34/83/23/439348323.db2.gz HBIQYURFOUYCSV-UHFFFAOYSA-N 1 3 335.452 0.036 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000582895471 439392922 /nfs/dbraw/zinc/39/29/22/439392922.db2.gz RNIRFGRWUNVHLX-GOSISDBHSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000582895472 439393337 /nfs/dbraw/zinc/39/33/37/439393337.db2.gz RNIRFGRWUNVHLX-SFHVURJKSA-N 1 3 338.496 0.825 20 0 ECADHO COCCN(C)C[C@H](O)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000583032079 439410576 /nfs/dbraw/zinc/41/05/76/439410576.db2.gz JMVCAPDFZRBGKL-MSOLQXFVSA-N 1 3 342.528 0.027 20 0 ECADHO COCCN(C)C[C@H](O)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000583032079 439410582 /nfs/dbraw/zinc/41/05/82/439410582.db2.gz JMVCAPDFZRBGKL-MSOLQXFVSA-N 1 3 342.528 0.027 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC[C@H]1N1CCN(C)CC1 ZINC000529355719 439411892 /nfs/dbraw/zinc/41/18/92/439411892.db2.gz MZDBRFIPHSKPEO-ZACQAIPSSA-N 1 3 349.523 0.938 20 0 ECADHO CC(C)[C@@H]1CN(C)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000606694463 439420877 /nfs/dbraw/zinc/42/08/77/439420877.db2.gz XEAMMEBXQYCDDX-KRWDZBQOSA-N 1 3 339.528 0.996 20 0 ECADHO CN1CCN(CCCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000570804922 439451778 /nfs/dbraw/zinc/45/17/78/439451778.db2.gz HIKZFHKIVSCUDO-LJQANCHMSA-N 1 3 330.476 0.671 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CNCCN2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000571276976 439489370 /nfs/dbraw/zinc/48/93/70/439489370.db2.gz DQNCNHKXRKBKQM-SOLBZPMBSA-N 1 3 342.528 0.072 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000583629094 439489980 /nfs/dbraw/zinc/48/99/80/439489980.db2.gz NKRFTDGRUHUZHR-RKVPGOIHSA-N 1 3 341.496 0.728 20 0 ECADHO COCCN(C)C[C@H](O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000571340987 439495246 /nfs/dbraw/zinc/49/52/46/439495246.db2.gz WGLWJUDAWICWAA-LTIDMASMSA-N 1 3 329.485 0.109 20 0 ECADHO C[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000608692625 439535791 /nfs/dbraw/zinc/53/57/91/439535791.db2.gz FEDURWSUNBGLDO-HOTGVXAUSA-N 1 3 339.528 0.899 20 0 ECADHO CCN1CCN([C@H]2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)CC1 ZINC000571882559 439539953 /nfs/dbraw/zinc/53/99/53/439539953.db2.gz HKSWVLDGTKYWSW-UFYCRDLUSA-N 1 3 346.519 0.629 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000584114006 439550303 /nfs/dbraw/zinc/55/03/03/439550303.db2.gz WJJLVROMWANOSF-DZKIICNBSA-N 1 3 334.464 0.518 20 0 ECADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000584409073 439586473 /nfs/dbraw/zinc/58/64/73/439586473.db2.gz LGEMHFSRHNZJNK-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000584767892 439614352 /nfs/dbraw/zinc/61/43/52/439614352.db2.gz BAUCZIMZARILEZ-JSGCOSHPSA-N 1 3 348.447 0.891 20 0 ECADHO CCOC(=O)CC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573479513 439649154 /nfs/dbraw/zinc/64/91/54/439649154.db2.gz YOWUNXRTFFSWRN-JYJNAYRXSA-N 1 3 328.453 0.658 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000574412687 439703420 /nfs/dbraw/zinc/70/34/20/439703420.db2.gz DNGKLEBFZMENGV-NVXWUHKLSA-N 1 3 346.475 0.820 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCNC[C@H]1c1cccnc1 ZINC000574571707 439713314 /nfs/dbraw/zinc/71/33/14/439713314.db2.gz XUQSBNFNYSYJOR-LRDDRELGSA-N 1 3 326.404 0.668 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CCN2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000611640437 439715236 /nfs/dbraw/zinc/71/52/36/439715236.db2.gz ITHJUZNNGQJBCS-NFAWXSAZSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CCN2C(C)(C)C)C[N@H+]1C1CC1 ZINC000611640437 439715239 /nfs/dbraw/zinc/71/52/39/439715239.db2.gz ITHJUZNNGQJBCS-NFAWXSAZSA-N 1 3 336.480 0.717 20 0 ECADHO CN(C)C1(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000573941773 439675580 /nfs/dbraw/zinc/67/55/80/439675580.db2.gz UCKOCPQOWVZASX-QGZVFWFLSA-N 1 3 345.491 0.370 20 0 ECADHO C[C@H](C[NH3+])NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612915627 439746122 /nfs/dbraw/zinc/74/61/22/439746122.db2.gz JMWDHFJQQKZPJT-CHWSQXEVSA-N 1 3 335.456 0.056 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916052 439746155 /nfs/dbraw/zinc/74/61/55/439746155.db2.gz VCTCOHSHNSUHJX-KBPBESRZSA-N 1 3 349.483 0.303 20 0 ECADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612925409 439746201 /nfs/dbraw/zinc/74/62/01/439746201.db2.gz VHRPBPYVWNZIOD-IHRRRGAJSA-N 1 3 349.483 0.444 20 0 ECADHO C[NH+](C)C1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000611990715 439741679 /nfs/dbraw/zinc/74/16/79/439741679.db2.gz ORBYSKYMLHMQEF-SHARSMKWSA-N 1 3 338.496 0.964 20 0 ECADHO CN(C)C[C@H](CO)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000614855051 439788969 /nfs/dbraw/zinc/78/89/69/439788969.db2.gz UTAAOTGHOUHCME-QGZVFWFLSA-N 1 3 348.491 0.628 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000662743897 439866386 /nfs/dbraw/zinc/86/63/86/439866386.db2.gz WZUFIUIWEGBGLG-KRWDZBQOSA-N 1 3 346.475 0.663 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CN1C1CC1 ZINC000662754021 439874094 /nfs/dbraw/zinc/87/40/94/439874094.db2.gz BITIKBJBZXCHBI-NFAWXSAZSA-N 1 3 332.452 0.948 20 0 ECADHO O=C(C[C@@H]1C[NH2+]CCO1)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638976 439830427 /nfs/dbraw/zinc/83/04/27/439830427.db2.gz ZZOWVMYOYLHDMM-QGZVFWFLSA-N 1 3 332.448 0.788 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NCCC3=CC[NH2+]CC3)CC2)C1 ZINC000641577140 439853716 /nfs/dbraw/zinc/85/37/16/439853716.db2.gz SBMINCWTIDORIQ-KRWDZBQOSA-N 1 3 335.496 0.718 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000652705660 439933234 /nfs/dbraw/zinc/93/32/34/439933234.db2.gz LYQCFSVLUXPWTK-LSDHHAIUSA-N 1 3 326.485 0.666 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000652705660 439933239 /nfs/dbraw/zinc/93/32/39/439933239.db2.gz LYQCFSVLUXPWTK-LSDHHAIUSA-N 1 3 326.485 0.666 20 0 ECADHO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626805278 439885676 /nfs/dbraw/zinc/88/56/76/439885676.db2.gz GEDDQRIRSIAPKI-LBPRGKRZSA-N 1 3 332.404 0.175 20 0 ECADHO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626805278 439885686 /nfs/dbraw/zinc/88/56/86/439885686.db2.gz GEDDQRIRSIAPKI-LBPRGKRZSA-N 1 3 332.404 0.175 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626802903 439885985 /nfs/dbraw/zinc/88/59/85/439885985.db2.gz AYBCTUQGZFNGFZ-UHFFFAOYSA-N 1 3 348.447 0.811 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000652611402 439893664 /nfs/dbraw/zinc/89/36/64/439893664.db2.gz HYOKGWFCVYLTJK-UHFFFAOYSA-N 1 3 349.483 0.986 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000652611402 439893669 /nfs/dbraw/zinc/89/36/69/439893669.db2.gz HYOKGWFCVYLTJK-UHFFFAOYSA-N 1 3 349.483 0.986 20 0 ECADHO Cc1ccnc2nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn21 ZINC000617504217 439901144 /nfs/dbraw/zinc/90/11/44/439901144.db2.gz LFPNIPXIOBOTIG-LBPRGKRZSA-N 1 3 333.440 0.435 20 0 ECADHO Cc1ccnc2nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn21 ZINC000617504217 439901151 /nfs/dbraw/zinc/90/11/51/439901151.db2.gz LFPNIPXIOBOTIG-LBPRGKRZSA-N 1 3 333.440 0.435 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626840854 439907747 /nfs/dbraw/zinc/90/77/47/439907747.db2.gz BSDPKZPEBSQGRE-JNSHFYNHSA-N 1 3 346.431 0.564 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000636619653 439966202 /nfs/dbraw/zinc/96/62/02/439966202.db2.gz JOUJXUSYDMDYRP-HOCLYGCPSA-N 1 3 338.496 0.966 20 0 ECADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000662954156 439968316 /nfs/dbraw/zinc/96/83/16/439968316.db2.gz LXLMQCXQPMQSCQ-IRXDYDNUSA-N 1 3 344.459 0.321 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000642330449 439973056 /nfs/dbraw/zinc/97/30/56/439973056.db2.gz KLDSATMXZHWWEX-NPJQDHAYSA-N 1 3 336.480 0.289 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626966501 439973301 /nfs/dbraw/zinc/97/33/01/439973301.db2.gz WCPCVPCQCXKXIL-NEPJUHHUSA-N 1 3 340.390 0.733 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000642330541 439974193 /nfs/dbraw/zinc/97/41/93/439974193.db2.gz RXLCNGDQIQQISY-CQSZACIVSA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000642439358 439980756 /nfs/dbraw/zinc/98/07/56/439980756.db2.gz CJGCQZXHAJMKGF-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCC[C@@H]([NH3+])C(C)C)CC1=O ZINC000662925970 439946492 /nfs/dbraw/zinc/94/64/92/439946492.db2.gz HXQYIFTYHCEOGT-OWCLPIDISA-N 1 3 338.496 0.809 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000652731769 439952676 /nfs/dbraw/zinc/95/26/76/439952676.db2.gz UKDDMVKEEUAGSW-JYJNAYRXSA-N 1 3 336.480 0.517 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663020109 439992002 /nfs/dbraw/zinc/99/20/02/439992002.db2.gz WSAJRNPFPUCYEP-HNNXBMFYSA-N 1 3 348.495 0.867 20 0 ECADHO C[C@@]1(C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC[NH2+]1 ZINC000663018542 439993579 /nfs/dbraw/zinc/99/35/79/439993579.db2.gz QBFUILACJGIOGV-KDOFPFPSSA-N 1 3 346.479 0.667 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)C[C@H]([NH3+])c3ccccc3)C2)nn1 ZINC000647087793 439996997 /nfs/dbraw/zinc/99/69/97/439996997.db2.gz KIQPVHMQIMFNDW-HOTGVXAUSA-N 1 3 328.420 0.990 20 0 ECADHO CN(CCOCC[NH3+])C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000627111894 440010198 /nfs/dbraw/zinc/01/01/98/440010198.db2.gz FZCZQPAXXWJEMD-UHFFFAOYSA-N 1 3 349.479 0.910 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000627116790 440013156 /nfs/dbraw/zinc/01/31/56/440013156.db2.gz NFDFACXQWOXGTI-OAHLLOKOSA-N 1 3 328.457 0.117 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])Cc1ccccc1 ZINC000642723047 440017798 /nfs/dbraw/zinc/01/77/98/440017798.db2.gz QQHBWFDJVBXPTM-HOCLYGCPSA-N 1 3 334.464 0.519 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627147250 440018960 /nfs/dbraw/zinc/01/89/60/440018960.db2.gz FBXZQWYOVXFSLI-UHFFFAOYSA-N 1 3 341.500 0.210 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)CCO1 ZINC000647233867 440025366 /nfs/dbraw/zinc/02/53/66/440025366.db2.gz GGKSXXHVOCGMJB-DOMZBBRYSA-N 1 3 327.450 0.485 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000627165575 440025621 /nfs/dbraw/zinc/02/56/21/440025621.db2.gz ZXAYUBIAAONDCJ-RRFJBIMHSA-N 1 3 337.468 0.075 20 0 ECADHO C[NH2+]CCOCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000627173088 440029889 /nfs/dbraw/zinc/02/98/89/440029889.db2.gz MXDNFZBCBQHLLS-CQSZACIVSA-N 1 3 328.457 0.117 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000642921407 440065972 /nfs/dbraw/zinc/06/59/72/440065972.db2.gz DKIMORCDUGVIBQ-HZPDHXFCSA-N 1 3 332.448 0.792 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653116615 440069977 /nfs/dbraw/zinc/06/99/77/440069977.db2.gz MURBHDJNAAFBTR-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653118854 440070300 /nfs/dbraw/zinc/07/03/00/440070300.db2.gz USNHXSURRPEYBK-INIZCTEOSA-N 1 3 346.475 0.984 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642988399 440075616 /nfs/dbraw/zinc/07/56/16/440075616.db2.gz KSFBFSPWSSHCRB-CQSZACIVSA-N 1 3 333.436 0.364 20 0 ECADHO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000642982569 440075876 /nfs/dbraw/zinc/07/58/76/440075876.db2.gz XLNMLPBOHKLEDO-HOTGVXAUSA-N 1 3 336.480 0.722 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000642984334 440076276 /nfs/dbraw/zinc/07/62/76/440076276.db2.gz JMLPAESADAYYEL-QXSJWSMHSA-N 1 3 336.480 0.717 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643001453 440078540 /nfs/dbraw/zinc/07/85/40/440078540.db2.gz WNYXWTCJYHGTFB-UHFFFAOYSA-N 1 3 343.431 0.156 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653125389 440079595 /nfs/dbraw/zinc/07/95/95/440079595.db2.gz XNCGRVYKNGWEFD-GOSISDBHSA-N 1 3 347.507 0.329 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C(=O)NCCN(C)C ZINC000627201485 440044032 /nfs/dbraw/zinc/04/40/32/440044032.db2.gz IGRGGNUEKMTFQF-ZNMIVQPWSA-N 1 3 341.500 0.519 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCOCCC[NH3+] ZINC000627218001 440048976 /nfs/dbraw/zinc/04/89/76/440048976.db2.gz YPXLDIPHXAKPAR-AWEZNQCLSA-N 1 3 328.457 0.247 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000642906806 440057462 /nfs/dbraw/zinc/05/74/62/440057462.db2.gz OFZJJAADDZNNJC-GJZGRUSLSA-N 1 3 345.447 0.235 20 0 ECADHO CCN(C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(CC)C1 ZINC000658829888 440144589 /nfs/dbraw/zinc/14/45/89/440144589.db2.gz NWRHCZZQELUXIM-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(CC)C1 ZINC000658829888 440144597 /nfs/dbraw/zinc/14/45/97/440144597.db2.gz NWRHCZZQELUXIM-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000636999315 440124619 /nfs/dbraw/zinc/12/46/19/440124619.db2.gz IGHHUDRSZZNGFH-BMFZPTHFSA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000653355105 440130327 /nfs/dbraw/zinc/13/03/27/440130327.db2.gz JOVYBBMAIRMOCH-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000653355105 440130336 /nfs/dbraw/zinc/13/03/36/440130336.db2.gz JOVYBBMAIRMOCH-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000653368922 440135495 /nfs/dbraw/zinc/13/54/95/440135495.db2.gz FMNIXAOGHZZHKK-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000653368922 440135503 /nfs/dbraw/zinc/13/55/03/440135503.db2.gz FMNIXAOGHZZHKK-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000653376873 440141693 /nfs/dbraw/zinc/14/16/93/440141693.db2.gz LSJFMJILRBDZSE-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000653376873 440141697 /nfs/dbraw/zinc/14/16/97/440141697.db2.gz LSJFMJILRBDZSE-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000618307863 440101126 /nfs/dbraw/zinc/10/11/26/440101126.db2.gz WTIYGWHPGJDQHS-UHFFFAOYSA-N 1 3 335.452 0.386 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)C[C@@H]2CSCCN2)C1 ZINC000653260726 440106302 /nfs/dbraw/zinc/10/63/02/440106302.db2.gz KGDXVZMGVSLZRL-KBXIAJHMSA-N 1 3 327.494 0.969 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000627390134 440174024 /nfs/dbraw/zinc/17/40/24/440174024.db2.gz CVGWEGUOROUKEV-UHFFFAOYSA-N 1 3 332.448 0.574 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627394810 440175638 /nfs/dbraw/zinc/17/56/38/440175638.db2.gz QUXXEPAZCNDDSO-UONOGXRCSA-N 1 3 336.480 0.624 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000627393724 440175987 /nfs/dbraw/zinc/17/59/87/440175987.db2.gz IWXGSZHESAATDF-QGZVFWFLSA-N 1 3 346.475 0.820 20 0 ECADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC(C)C)CC[C@H]1[NH3+] ZINC000643482918 440182348 /nfs/dbraw/zinc/18/23/48/440182348.db2.gz WOVGUHBQRAHQPY-LSDHHAIUSA-N 1 3 326.485 0.618 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000643500371 440189040 /nfs/dbraw/zinc/18/90/40/440189040.db2.gz MCPKOLQVHIGIAI-GOSISDBHSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498941 440190475 /nfs/dbraw/zinc/19/04/75/440190475.db2.gz YLXSNDDFFDHMFQ-ARFHVFGLSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643516635 440195493 /nfs/dbraw/zinc/19/54/93/440195493.db2.gz CSBLXACFPIBBMU-VKJFTORMSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C[NH2+]1 ZINC000627427862 440197202 /nfs/dbraw/zinc/19/72/02/440197202.db2.gz PGIQFXRUIBMFKI-ILXRZTDVSA-N 1 3 336.480 0.766 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1=CCN(C)CC1 ZINC000627376566 440163328 /nfs/dbraw/zinc/16/33/28/440163328.db2.gz GELPDBRCWUAPHL-XWIAVFTESA-N 1 3 334.464 0.211 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)C2)C1 ZINC000643590192 440214322 /nfs/dbraw/zinc/21/43/22/440214322.db2.gz BZVMNNYAJOFOOZ-RKVPGOIHSA-N 1 3 334.464 0.141 20 0 ECADHO O=C(NCc1ccc2c(c1)CNC2)C1(n2cccn2)CC[NH2+]CC1 ZINC000648120916 440232963 /nfs/dbraw/zinc/23/29/63/440232963.db2.gz WJIPCGAOHAKNOR-UHFFFAOYSA-N 1 3 325.416 0.881 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643531951 440204334 /nfs/dbraw/zinc/20/43/34/440204334.db2.gz FEWFATMDDVPRGP-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000659022243 440206809 /nfs/dbraw/zinc/20/68/09/440206809.db2.gz PWILXFHHDWGTBQ-ZDUSSCGKSA-N 1 3 333.440 0.492 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000659022243 440206816 /nfs/dbraw/zinc/20/68/16/440206816.db2.gz PWILXFHHDWGTBQ-ZDUSSCGKSA-N 1 3 333.440 0.492 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000659097130 440243493 /nfs/dbraw/zinc/24/34/93/440243493.db2.gz QTIMYIIFXNRESB-UHFFFAOYSA-N 1 3 336.436 0.761 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664183151 440253186 /nfs/dbraw/zinc/25/31/86/440253186.db2.gz RZBSJFPWOFGDCU-DOTOQJQBSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664183151 440253189 /nfs/dbraw/zinc/25/31/89/440253189.db2.gz RZBSJFPWOFGDCU-DOTOQJQBSA-N 1 3 336.480 0.711 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@H]3CNCCC3(F)F)CC2)C1 ZINC000648178001 440255021 /nfs/dbraw/zinc/25/50/21/440255021.db2.gz HLMDQNGFWWCCAK-MGPQQGTHSA-N 1 3 331.407 0.976 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)c2)CC1 ZINC000659114532 440262139 /nfs/dbraw/zinc/26/21/39/440262139.db2.gz XKKCGSHMLCJIIH-CQSZACIVSA-N 1 3 347.463 0.491 20 0 ECADHO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@]3(O)CCN(Cc4ccccc4)C3)C[C@H]21 ZINC000627650236 440283979 /nfs/dbraw/zinc/28/39/79/440283979.db2.gz CMZMSLIOZDRCFP-VUHPKUFZSA-N 1 3 329.444 0.642 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664406531 440305482 /nfs/dbraw/zinc/30/54/82/440305482.db2.gz SXTGHXWMYFCERR-GOEBONIOSA-N 1 3 325.501 0.652 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000659515523 440352292 /nfs/dbraw/zinc/35/22/92/440352292.db2.gz KGWYIQHUMRQINI-IRXDYDNUSA-N 1 3 332.448 0.804 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000659523090 440352894 /nfs/dbraw/zinc/35/28/94/440352894.db2.gz IAWLWVKCYRUEJW-CQSZACIVSA-N 1 3 349.479 0.868 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659523426 440353941 /nfs/dbraw/zinc/35/39/41/440353941.db2.gz LLFJZWFHSBNKPJ-SNVBAGLBSA-N 1 3 330.392 0.660 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000659565427 440364464 /nfs/dbraw/zinc/36/44/64/440364464.db2.gz IFPJHTISJNFKMP-QGZVFWFLSA-N 1 3 347.463 0.663 20 0 ECADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659462755 440333602 /nfs/dbraw/zinc/33/36/02/440333602.db2.gz GWBNWVZPESDSGD-HUUCEWRRSA-N 1 3 330.448 0.957 20 0 ECADHO N[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[C@H]1F ZINC000659470415 440336118 /nfs/dbraw/zinc/33/61/18/440336118.db2.gz AFTQVKJJNPNXIQ-TUVASFSCSA-N 1 3 328.432 0.445 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000659689694 440426280 /nfs/dbraw/zinc/42/62/80/440426280.db2.gz HUBDJUYWLPWSAA-OAHLLOKOSA-N 1 3 346.475 0.800 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659623524 440378611 /nfs/dbraw/zinc/37/86/11/440378611.db2.gz HYJACWPMZNUMFZ-HZPDHXFCSA-N 1 3 325.501 0.781 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659673358 440408730 /nfs/dbraw/zinc/40/87/30/440408730.db2.gz BQODBYOBECYEKU-KOHRHEQBSA-N 1 3 344.459 0.144 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659674346 440410210 /nfs/dbraw/zinc/41/02/10/440410210.db2.gz RNYCVLQEQMSZJN-HNNXBMFYSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N(C)Cc1ccccc1 ZINC000659677827 440413025 /nfs/dbraw/zinc/41/30/25/440413025.db2.gz HEECZQOFUGYXFH-ASFAAARLSA-N 1 3 344.459 0.491 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CCCC1 ZINC000659734288 440471129 /nfs/dbraw/zinc/47/11/29/440471129.db2.gz KWYLILWLNQPJNM-UHFFFAOYSA-N 1 3 331.420 0.118 20 0 ECADHO CC1(OCC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CNC1 ZINC000649342823 440475524 /nfs/dbraw/zinc/47/55/24/440475524.db2.gz QQJIFGPWJRJVAK-UHFFFAOYSA-N 1 3 325.453 0.468 20 0 ECADHO CC(C)[C@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCN1 ZINC000638196609 440476950 /nfs/dbraw/zinc/47/69/50/440476950.db2.gz GLAYKCBPEHZNCH-WDEREUQCSA-N 1 3 342.394 0.820 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC000628214932 440434712 /nfs/dbraw/zinc/43/47/12/440434712.db2.gz RWPNEKDTLKAKIM-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)C[NH+](CC)CC)C1 ZINC000628214932 440434721 /nfs/dbraw/zinc/43/47/21/440434721.db2.gz RWPNEKDTLKAKIM-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000659705251 440440184 /nfs/dbraw/zinc/44/01/84/440440184.db2.gz VEUHWEGRNRGJRU-CYBMUJFWSA-N 1 3 333.436 0.138 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000665292300 440445474 /nfs/dbraw/zinc/44/54/74/440445474.db2.gz YMAUFNRHTGDNTI-DZGCQCFKSA-N 1 3 337.468 0.868 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000665292300 440445478 /nfs/dbraw/zinc/44/54/78/440445478.db2.gz YMAUFNRHTGDNTI-DZGCQCFKSA-N 1 3 337.468 0.868 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000659712893 440446270 /nfs/dbraw/zinc/44/62/70/440446270.db2.gz GUTWXHGDCIXCCL-GDBMZVCRSA-N 1 3 332.448 0.225 20 0 ECADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCC[NH3+])C1 ZINC000659711311 440447318 /nfs/dbraw/zinc/44/73/18/440447318.db2.gz ZECTTXVZUMDHRN-INIZCTEOSA-N 1 3 332.448 0.227 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659716739 440451339 /nfs/dbraw/zinc/45/13/39/440451339.db2.gz XVDJANOKCPFXOC-QLFBSQMISA-N 1 3 336.480 0.896 20 0 ECADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659715511 440451921 /nfs/dbraw/zinc/45/19/21/440451921.db2.gz WRJKFRHSBMPMOY-KRWDZBQOSA-N 1 3 344.459 0.097 20 0 ECADHO CN1CCC(CNC(=O)[C@]2(C)CNCCO2)([NH+]2CCCCC2)CC1 ZINC000638140328 440460065 /nfs/dbraw/zinc/46/00/65/440460065.db2.gz YWDDZBBPAIXCHH-KRWDZBQOSA-N 1 3 338.496 0.431 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000659724232 440460451 /nfs/dbraw/zinc/46/04/51/440460451.db2.gz QUVUBLPUJCTOEP-BBRMVZONSA-N 1 3 332.448 0.923 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000659750506 440488147 /nfs/dbraw/zinc/48/81/47/440488147.db2.gz CIMJIXRXLCJNBG-ZDUSSCGKSA-N 1 3 338.427 0.440 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000638276739 440494044 /nfs/dbraw/zinc/49/40/44/440494044.db2.gz PDKTWMRVKBDFHE-FUHWJXTLSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(C(N)=O)CC1 ZINC000665636899 440511351 /nfs/dbraw/zinc/51/13/51/440511351.db2.gz NDTFNMQKJWDKEB-ZDUSSCGKSA-N 1 3 327.473 0.165 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(C(N)=O)CC1 ZINC000665636899 440511357 /nfs/dbraw/zinc/51/13/57/440511357.db2.gz NDTFNMQKJWDKEB-ZDUSSCGKSA-N 1 3 327.473 0.165 20 0 ECADHO CC(=O)NC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665639989 440511753 /nfs/dbraw/zinc/51/17/53/440511753.db2.gz KPWUIZWPGYFRGP-AWEZNQCLSA-N 1 3 341.500 0.569 20 0 ECADHO CC(=O)NC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665639989 440511756 /nfs/dbraw/zinc/51/17/56/440511756.db2.gz KPWUIZWPGYFRGP-AWEZNQCLSA-N 1 3 341.500 0.569 20 0 ECADHO COC[C@]1(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCCCN1 ZINC000638383289 440523208 /nfs/dbraw/zinc/52/32/08/440523208.db2.gz FCDCQNRHQZOKDC-DFGXFYAUSA-N 1 3 339.480 0.890 20 0 ECADHO COC[C@]1(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCCCN1 ZINC000638383291 440523734 /nfs/dbraw/zinc/52/37/34/440523734.db2.gz FCDCQNRHQZOKDC-OVWQWFNUSA-N 1 3 339.480 0.890 20 0 ECADHO CNC(=O)[C@@]1(C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665762427 440524308 /nfs/dbraw/zinc/52/43/08/440524308.db2.gz DFEARQGVNOPPPU-YOEHRIQHSA-N 1 3 341.500 0.426 20 0 ECADHO CNC(=O)[C@@]1(C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665762427 440524314 /nfs/dbraw/zinc/52/43/14/440524314.db2.gz DFEARQGVNOPPPU-YOEHRIQHSA-N 1 3 341.500 0.426 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)C(F)(F)F ZINC000665762056 440525902 /nfs/dbraw/zinc/52/59/02/440525902.db2.gz ZDJTVLSHXDDJQH-WDEREUQCSA-N 1 3 328.379 0.481 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)C(F)(F)F ZINC000665762056 440525907 /nfs/dbraw/zinc/52/59/07/440525907.db2.gz ZDJTVLSHXDDJQH-WDEREUQCSA-N 1 3 328.379 0.481 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000665763988 440529414 /nfs/dbraw/zinc/52/94/14/440529414.db2.gz QRDBDMOFLHZXRH-SOUVJXGZSA-N 1 3 326.485 0.861 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000665763988 440529419 /nfs/dbraw/zinc/52/94/19/440529419.db2.gz QRDBDMOFLHZXRH-SOUVJXGZSA-N 1 3 326.485 0.861 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000665763945 440531535 /nfs/dbraw/zinc/53/15/35/440531535.db2.gz PQXAMXYSSYOSGM-JYJNAYRXSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000665763945 440531540 /nfs/dbraw/zinc/53/15/40/440531540.db2.gz PQXAMXYSSYOSGM-JYJNAYRXSA-N 1 3 326.485 0.936 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000638527612 440561997 /nfs/dbraw/zinc/56/19/97/440561997.db2.gz WCROOSQBLJCOPC-HNNXBMFYSA-N 1 3 335.452 0.196 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC[C@H]1C(F)(F)F ZINC000638565079 440570420 /nfs/dbraw/zinc/57/04/20/440570420.db2.gz YGCPMSJILOXOBM-LPWJVIDDSA-N 1 3 335.370 0.835 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NCCOCCC[NH3+])cc2)CC1 ZINC000638661110 440598382 /nfs/dbraw/zinc/59/83/82/440598382.db2.gz KXJOPQXGGWLJOZ-UHFFFAOYSA-N 1 3 334.464 0.924 20 0 ECADHO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCN1CC[C@@H](O)C1 ZINC000629172618 440617994 /nfs/dbraw/zinc/61/79/94/440617994.db2.gz FFIPVSGJGJPOMW-GOSISDBHSA-N 1 3 346.475 0.382 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N1CCN(C)CC1 ZINC000655913858 440640893 /nfs/dbraw/zinc/64/08/93/440640893.db2.gz VXPKUYBEPZGMHG-NWDGAFQWSA-N 1 3 339.406 0.447 20 0 ECADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656024957 440694079 /nfs/dbraw/zinc/69/40/79/440694079.db2.gz ZHXFMTXWBWZHJY-CVEARBPZSA-N 1 3 336.480 0.625 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000635122253 440757202 /nfs/dbraw/zinc/75/72/02/440757202.db2.gz HSXZHEUQJZSVNY-UHFFFAOYSA-N 1 3 326.466 0.947 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000644917712 440715651 /nfs/dbraw/zinc/71/56/51/440715651.db2.gz OMXQNOGBYDJNBK-ARFHVFGLSA-N 1 3 336.480 0.528 20 0 ECADHO O[C@H](C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)CN1CCCC1 ZINC000629612578 440745294 /nfs/dbraw/zinc/74/52/94/440745294.db2.gz FTGPPQSXAVYBOV-MSOLQXFVSA-N 1 3 334.464 0.329 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656290244 440753473 /nfs/dbraw/zinc/75/34/73/440753473.db2.gz TWXUYOZEURIDBS-IRXDYDNUSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656310751 440761926 /nfs/dbraw/zinc/76/19/26/440761926.db2.gz FBCDQUIRHOQYNR-IKGGRYGDSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656310751 440761933 /nfs/dbraw/zinc/76/19/33/440761933.db2.gz FBCDQUIRHOQYNR-IKGGRYGDSA-N 1 3 348.491 0.720 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000629793759 440763581 /nfs/dbraw/zinc/76/35/81/440763581.db2.gz LIQCTAWXOBQMBM-INIZCTEOSA-N 1 3 338.496 0.764 20 0 ECADHO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCN(c2ccncc2)CC1 ZINC000645220968 440766222 /nfs/dbraw/zinc/76/62/22/440766222.db2.gz FQYZCGBUVSMNIF-HNNXBMFYSA-N 1 3 341.419 0.560 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000629799671 440767190 /nfs/dbraw/zinc/76/71/90/440767190.db2.gz TXCYBAFWGWDZOX-UHFFFAOYSA-N 1 3 326.466 0.446 20 0 ECADHO C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C(C)(C)C[NH+](C)C ZINC000645269517 440773274 /nfs/dbraw/zinc/77/32/74/440773274.db2.gz PLGFSDJWMZWREN-ZIAGYGMSSA-N 1 3 341.500 0.724 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)C2)C1 ZINC000629822615 440777020 /nfs/dbraw/zinc/77/70/20/440777020.db2.gz NQPSKLQKJLMVBE-OTWHNJEPSA-N 1 3 348.491 0.389 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCC[C@H](C)C1 ZINC000656342728 440778780 /nfs/dbraw/zinc/77/87/80/440778780.db2.gz CNGBPWVEMVUZJH-XUWVNRHRSA-N 1 3 338.496 0.679 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656355723 440786288 /nfs/dbraw/zinc/78/62/88/440786288.db2.gz NKWWEFJVXQLXDP-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656355723 440786292 /nfs/dbraw/zinc/78/62/92/440786292.db2.gz NKWWEFJVXQLXDP-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000656358444 440790837 /nfs/dbraw/zinc/79/08/37/440790837.db2.gz KRLFSKLASWZXCI-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)C1 ZINC000656789693 440849007 /nfs/dbraw/zinc/84/90/07/440849007.db2.gz VSFKFBDTEOVBLF-CGTJXYLNSA-N 1 3 330.476 0.919 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000635642981 440930609 /nfs/dbraw/zinc/93/06/09/440930609.db2.gz CIRUBABAKXYNKR-BHYGNILZSA-N 1 3 339.480 0.401 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N(C)CC[NH+](C)C)ccc2[nH]c1=O ZINC000635640780 440932590 /nfs/dbraw/zinc/93/25/90/440932590.db2.gz LPUSGVINIACSSH-UHFFFAOYSA-N 1 3 333.436 0.937 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662405926 441031943 /nfs/dbraw/zinc/03/19/43/441031943.db2.gz SLVHJNMJSRNDKS-LLVKDONJSA-N 1 3 336.461 0.321 20 0 ECADHO CC(C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000662479519 441053284 /nfs/dbraw/zinc/05/32/84/441053284.db2.gz KHQNMWOKRJORRK-HOCLYGCPSA-N 1 3 348.495 0.488 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350090 441056137 /nfs/dbraw/zinc/05/61/37/441056137.db2.gz FKXNGHNCJSZNMV-SOUVJXGZSA-N 1 3 333.498 0.534 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000662630961 441079661 /nfs/dbraw/zinc/07/96/61/441079661.db2.gz JHXDATGOCHYVDE-RVKKMQEKSA-N 1 3 340.512 0.519 20 0 ECADHO C[C@@H](Cn1cncn1)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000657867002 441079954 /nfs/dbraw/zinc/07/99/54/441079954.db2.gz DCAUFCOLGPOMDW-AWEZNQCLSA-N 1 3 330.436 0.748 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000339669777 320995370 /nfs/dbraw/zinc/99/53/70/320995370.db2.gz HGIPRMBMPQRYHJ-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000340213649 321022950 /nfs/dbraw/zinc/02/29/50/321022950.db2.gz KFPXXYMJCJZEBG-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000340213649 321022952 /nfs/dbraw/zinc/02/29/52/321022952.db2.gz KFPXXYMJCJZEBG-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C(C)C ZINC000340218133 321024015 /nfs/dbraw/zinc/02/40/15/321024015.db2.gz OESZDBKTWZEULH-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C(C)C ZINC000340218133 321024016 /nfs/dbraw/zinc/02/40/16/321024016.db2.gz OESZDBKTWZEULH-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000340218824 321024189 /nfs/dbraw/zinc/02/41/89/321024189.db2.gz VQMCDCLBIZVTJP-LSDHHAIUSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000340218824 321024191 /nfs/dbraw/zinc/02/41/91/321024191.db2.gz VQMCDCLBIZVTJP-LSDHHAIUSA-N 1 3 336.480 0.601 20 0 ECADHO CCN(CC)C(=O)C[C@H](C)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341418730 321056462 /nfs/dbraw/zinc/05/64/62/321056462.db2.gz FUHIOCSOBOJTIN-LSDHHAIUSA-N 1 3 326.485 0.810 20 0 ECADHO CCN(CC)C(=O)C[C@H](C)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341418730 321056464 /nfs/dbraw/zinc/05/64/64/321056464.db2.gz FUHIOCSOBOJTIN-LSDHHAIUSA-N 1 3 326.485 0.810 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000342034674 321072782 /nfs/dbraw/zinc/07/27/82/321072782.db2.gz JUGDQKLYEXFDAR-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000342034674 321072784 /nfs/dbraw/zinc/07/27/84/321072784.db2.gz JUGDQKLYEXFDAR-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CS[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH+](C)C ZINC000343634048 321140358 /nfs/dbraw/zinc/14/03/58/321140358.db2.gz FTFORBZNBXLVIN-DGADGQDISA-N 1 3 331.526 0.434 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H](N)CC(F)F)CC1 ZINC000345728443 321198011 /nfs/dbraw/zinc/19/80/11/321198011.db2.gz VPILFWPTAFMEDE-MCIONIFRSA-N 1 3 332.439 0.986 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000346157388 321216458 /nfs/dbraw/zinc/21/64/58/321216458.db2.gz KKFKMZXUWWNMFY-KLHDSHLOSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCN1C ZINC000347964116 321260307 /nfs/dbraw/zinc/26/03/07/321260307.db2.gz FMTWEADTVSGXKL-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC[NH+]1CCCC1 ZINC000349051381 321296003 /nfs/dbraw/zinc/29/60/03/321296003.db2.gz JMWQAPUJSADEGC-INIZCTEOSA-N 1 3 325.501 0.798 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000351661732 321335735 /nfs/dbraw/zinc/33/57/35/321335735.db2.gz MCTFSAKELGPYMV-BZUAXINKSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000351661732 321335737 /nfs/dbraw/zinc/33/57/37/321335737.db2.gz MCTFSAKELGPYMV-BZUAXINKSA-N 1 3 325.501 0.794 20 0 ECADHO Cn1cnc2c1c(=O)n(CCCN1CCCC[C@@H]1CC[NH3+])c(=O)n2C ZINC000352509503 321362456 /nfs/dbraw/zinc/36/24/56/321362456.db2.gz KZEMHZOJJDWTTD-CYBMUJFWSA-N 1 3 348.451 0.027 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)C(C)(C)C[NH+](C)C ZINC000358830663 321576520 /nfs/dbraw/zinc/57/65/20/321576520.db2.gz QQFJSFVWGDLCLF-UONOGXRCSA-N 1 3 326.485 0.632 20 0 ECADHO CN(C)CCOCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000520426529 321972930 /nfs/dbraw/zinc/97/29/30/321972930.db2.gz LCYBGMKIBAQCRE-HNNXBMFYSA-N 1 3 329.510 0.898 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000531357897 322039179 /nfs/dbraw/zinc/03/91/79/322039179.db2.gz LYIIGRBVQWUBDU-CQSZACIVSA-N 1 3 326.485 0.585 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc([S@@](C)=O)cc1 ZINC000559592262 322222475 /nfs/dbraw/zinc/22/24/75/322222475.db2.gz IKFDVEONDFXVIO-HSZRJFAPSA-N 1 3 339.505 0.918 20 0 ECADHO CN(CCCN(C)CC(=O)NC(=O)NC1CCCC1)CC[NH+](C)C ZINC000561387550 322259954 /nfs/dbraw/zinc/25/99/54/322259954.db2.gz UTNJFUUDJXHBKG-UHFFFAOYSA-N 1 3 341.500 0.570 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000561527985 322261833 /nfs/dbraw/zinc/26/18/33/322261833.db2.gz UMNVMOAVLGSEIZ-GOEBONIOSA-N 1 3 339.484 0.178 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H](N)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000564841985 322398422 /nfs/dbraw/zinc/39/84/22/322398422.db2.gz OJMHEAKTUDACEH-HRCADAONSA-N 1 3 328.420 0.556 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H](C)N(C)C)CC1 ZINC000565250282 322445829 /nfs/dbraw/zinc/44/58/29/322445829.db2.gz KYHQLYFOXDVECF-ZDUSSCGKSA-N 1 3 327.473 0.226 20 0 ECADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000567732661 322595415 /nfs/dbraw/zinc/59/54/15/322595415.db2.gz LHSXNEOZEBHCHD-INIZCTEOSA-N 1 3 332.448 0.675 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000568871031 322635629 /nfs/dbraw/zinc/63/56/29/322635629.db2.gz BILXOOALRFJJAA-INIZCTEOSA-N 1 3 344.525 0.834 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000569106330 322643427 /nfs/dbraw/zinc/64/34/27/322643427.db2.gz VMSOEDKZFUIBMS-BBWFWOEESA-N 1 3 348.491 0.531 20 0 ECADHO N[C@H]1C[C@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000570291734 322682683 /nfs/dbraw/zinc/68/26/83/322682683.db2.gz DNUSHLGEBSPYLH-IRXDYDNUSA-N 1 3 342.443 0.666 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000572036583 322738385 /nfs/dbraw/zinc/73/83/85/322738385.db2.gz WCZHTQRKHNKUOA-SNVBAGLBSA-N 1 3 326.422 0.829 20 0 ECADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)nc1 ZINC000572884393 322752781 /nfs/dbraw/zinc/75/27/81/322752781.db2.gz CREXFLCECVPKAD-QAPCUYQASA-N 1 3 329.448 0.544 20 0 ECADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000573723319 322766723 /nfs/dbraw/zinc/76/67/23/322766723.db2.gz IDDORQPJRJJWEP-GFCCVEGCSA-N 1 3 341.419 0.544 20 0 ECADHO C[C@H](CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[C@@H]1CCC[NH2+]C1 ZINC000577395738 322834217 /nfs/dbraw/zinc/83/42/17/322834217.db2.gz SBMWSWPMHJGWGL-FMKPAKJESA-N 1 3 334.468 0.926 20 0 ECADHO Cc1ccoc1CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000577938861 322850615 /nfs/dbraw/zinc/85/06/15/322850615.db2.gz SGIKQIZTVFUSHB-UHFFFAOYSA-N 1 3 338.452 0.498 20 0 ECADHO CC1CCC(N2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)CC1 ZINC000578981202 322881745 /nfs/dbraw/zinc/88/17/45/322881745.db2.gz SASFJCDRPPWFJY-OFLPRAFFSA-N 1 3 337.512 0.796 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333644714 546061748 /nfs/dbraw/zinc/06/17/48/546061748.db2.gz IVOQXVIWTOMMEI-GJZGRUSLSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000430708640 546222545 /nfs/dbraw/zinc/22/25/45/546222545.db2.gz UJCDGDUYRKAFKB-CVEARBPZSA-N 1 3 332.448 0.722 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@@H]13)C2 ZINC000621849582 546577844 /nfs/dbraw/zinc/57/78/44/546577844.db2.gz YFVOUDJGLFVYOE-BSXFFOKHSA-N 1 3 334.464 0.459 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCCOCCF)CC2)CC1 ZINC000660573201 547449055 /nfs/dbraw/zinc/44/90/55/547449055.db2.gz HFQDPJFTVRVVLF-UHFFFAOYSA-N 1 3 330.448 0.830 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667535955 547529543 /nfs/dbraw/zinc/52/95/43/547529543.db2.gz XVKJMYCGGHWAEE-NVXWUHKLSA-N 1 3 344.459 0.940 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000667557639 547530364 /nfs/dbraw/zinc/53/03/64/547530364.db2.gz BMNNADCRDNFKEL-CQSZACIVSA-N 1 3 347.463 0.539 20 0 ECADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)[NH3+])c2)CC1 ZINC000667559229 547531362 /nfs/dbraw/zinc/53/13/62/547531362.db2.gz GCVUDFJYARHCHY-AWEZNQCLSA-N 1 3 347.463 0.619 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668502402 547672557 /nfs/dbraw/zinc/67/25/57/547672557.db2.gz TXQJZIHMFOEYPB-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668502402 547672561 /nfs/dbraw/zinc/67/25/61/547672561.db2.gz TXQJZIHMFOEYPB-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CCN(C(=O)C(=O)NCC1CC[NH+](CC)CC1)[C@H]1CCN(CC)C1 ZINC000668635311 547707962 /nfs/dbraw/zinc/70/79/62/547707962.db2.gz JLAXXSMWRUIEDC-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCO1 ZINC000668649629 547711711 /nfs/dbraw/zinc/71/17/11/547711711.db2.gz YIFGFRVEYNEBGI-USXIJHARSA-N 1 3 334.464 0.917 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000668672605 547720399 /nfs/dbraw/zinc/72/03/99/547720399.db2.gz VKKJYLFINHTACW-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000668730742 547737904 /nfs/dbraw/zinc/73/79/04/547737904.db2.gz UHURULOPFQYQHX-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000668730742 547737908 /nfs/dbraw/zinc/73/79/08/547737908.db2.gz UHURULOPFQYQHX-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000669496356 547899231 /nfs/dbraw/zinc/89/92/31/547899231.db2.gz CDKICNFWDQXRKU-RHSMWYFYSA-N 1 3 346.475 0.843 20 0 ECADHO O=C(NCC1C[NH2+]C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000669570376 547908389 /nfs/dbraw/zinc/90/83/89/547908389.db2.gz CCPLMVMQEMVJTP-QGZVFWFLSA-N 1 3 332.448 0.796 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000671343370 548123982 /nfs/dbraw/zinc/12/39/82/548123982.db2.gz LXRRQSWMXBOCLI-QGZVFWFLSA-N 1 3 348.491 0.686 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672312094 548309490 /nfs/dbraw/zinc/30/94/90/548309490.db2.gz ZNWXMTCWMKSQAY-MRXNPFEDSA-N 1 3 336.480 0.576 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)C[NH+](CC)CC ZINC000683368138 549481267 /nfs/dbraw/zinc/48/12/67/549481267.db2.gz KUNKDUUYOCGVOL-GASCZTMLSA-N 1 3 326.485 0.824 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CCC[C@H]1NC(=O)C[NH+](CC)CC ZINC000683368138 549481272 /nfs/dbraw/zinc/48/12/72/549481272.db2.gz KUNKDUUYOCGVOL-GASCZTMLSA-N 1 3 326.485 0.824 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000685047995 549649125 /nfs/dbraw/zinc/64/91/25/549649125.db2.gz JNRXSHUQBIZRHZ-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000685047995 549649127 /nfs/dbraw/zinc/64/91/27/549649127.db2.gz JNRXSHUQBIZRHZ-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO C[NH+](C)CCCNC(=S)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728451647 578289295 /nfs/dbraw/zinc/28/92/95/578289295.db2.gz QFPRKRAOVLIANZ-UHFFFAOYSA-N 1 3 341.525 0.053 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H]3[C@@H](CCC[N@@H+]3C)C1)C2=O ZINC000765107451 579061451 /nfs/dbraw/zinc/06/14/51/579061451.db2.gz SWPNTRYZAQQKTI-LSDHHAIUSA-N 1 3 349.479 0.376 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)C2=O ZINC000765107451 579061452 /nfs/dbraw/zinc/06/14/52/579061452.db2.gz SWPNTRYZAQQKTI-LSDHHAIUSA-N 1 3 349.479 0.376 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)N1CCCCC1 ZINC000842014270 589008066 /nfs/dbraw/zinc/00/80/66/589008066.db2.gz BGRIOZQIKDEKFY-MRXNPFEDSA-N 1 3 346.475 0.965 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000895319695 586176242 /nfs/dbraw/zinc/17/62/42/586176242.db2.gz QPLHHPYYWLFSHZ-IKGGRYGDSA-N 1 3 338.496 0.959 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000895319695 586176244 /nfs/dbraw/zinc/17/62/44/586176244.db2.gz QPLHHPYYWLFSHZ-IKGGRYGDSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)CN1CCN(C)CC1 ZINC000891602722 586180899 /nfs/dbraw/zinc/18/08/99/586180899.db2.gz LPIVUDKXNUWRDM-CVEARBPZSA-N 1 3 339.528 0.947 20 0 ECADHO COCCC1(NC(=O)NC[C@]2(N(C)C)CCSC2)CC[NH2+]CC1 ZINC000891638298 586183871 /nfs/dbraw/zinc/18/38/71/586183871.db2.gz JYNUNOOTEOOOEG-MRXNPFEDSA-N 1 3 344.525 0.882 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000895665579 586197016 /nfs/dbraw/zinc/19/70/16/586197016.db2.gz DHOCPXKKEYRQDP-JYJNAYRXSA-N 1 3 325.501 0.604 20 0 ECADHO [NH3+][C@@H](CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000892409824 586264464 /nfs/dbraw/zinc/26/44/64/586264464.db2.gz CKMLTDLKOGJEHQ-YESZJQIVSA-N 1 3 332.448 0.407 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000892482562 586268697 /nfs/dbraw/zinc/26/86/97/586268697.db2.gz YPDJCSKXFUASKC-HUUCEWRRSA-N 1 3 326.485 0.911 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@]3(C)CCNC3=O)CC2)CC1 ZINC000892522105 586271326 /nfs/dbraw/zinc/27/13/26/586271326.db2.gz PSIZPHJSCCVUIS-QGZVFWFLSA-N 1 3 337.468 0.123 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@H](C[NH3+])C3)C2)cc1 ZINC000892530696 586271770 /nfs/dbraw/zinc/27/17/70/586271770.db2.gz VFNLYROWORGNIU-DLBZAZTESA-N 1 3 332.448 0.938 20 0 ECADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892788465 586291256 /nfs/dbraw/zinc/29/12/56/586291256.db2.gz COOKEFUUWOEZRY-IRXDYDNUSA-N 1 3 346.475 0.845 20 0 ECADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892788465 586291258 /nfs/dbraw/zinc/29/12/58/586291258.db2.gz COOKEFUUWOEZRY-IRXDYDNUSA-N 1 3 346.475 0.845 20 0 ECADHO CN1C[C@H]2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@@H]2C1 ZINC000892835401 586294684 /nfs/dbraw/zinc/29/46/84/586294684.db2.gz ALUGCHFCNPZZLH-HZPDHXFCSA-N 1 3 336.480 0.977 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893103515 586310857 /nfs/dbraw/zinc/31/08/57/586310857.db2.gz OZFGESALLOBTEC-IKGGRYGDSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893103515 586310858 /nfs/dbraw/zinc/31/08/58/586310858.db2.gz OZFGESALLOBTEC-IKGGRYGDSA-N 1 3 336.480 0.711 20 0 ECADHO CCC(CC)[NH2+]CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000893235848 586318863 /nfs/dbraw/zinc/31/88/63/586318863.db2.gz BCWLFNVIZLXVSP-HNNXBMFYSA-N 1 3 327.517 0.947 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000893239142 586318930 /nfs/dbraw/zinc/31/89/30/586318930.db2.gz RZCDTQUSYZDUFW-ZACQAIPSSA-N 1 3 337.512 0.606 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000893239142 586318933 /nfs/dbraw/zinc/31/89/33/586318933.db2.gz RZCDTQUSYZDUFW-ZACQAIPSSA-N 1 3 337.512 0.606 20 0 ECADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000893867889 586364387 /nfs/dbraw/zinc/36/43/87/586364387.db2.gz TTYIGLYZFIZRPX-IRXDYDNUSA-N 1 3 337.512 0.891 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)NCCN1CCC(C)(C)C1 ZINC000898589287 586434164 /nfs/dbraw/zinc/43/41/64/586434164.db2.gz WMEPPQRRWAJWFO-UHFFFAOYSA-N 1 3 327.517 0.901 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000899664699 586494206 /nfs/dbraw/zinc/49/42/06/586494206.db2.gz OGXHINOXXZOXCS-PMPSAXMXSA-N 1 3 340.537 0.876 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000899664699 586494207 /nfs/dbraw/zinc/49/42/07/586494207.db2.gz OGXHINOXXZOXCS-PMPSAXMXSA-N 1 3 340.537 0.876 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCCCCC[NH3+])CCSC1 ZINC000843258219 589057497 /nfs/dbraw/zinc/05/74/97/589057497.db2.gz AXPLKNAXPCSZKL-OAHLLOKOSA-N 1 3 330.498 0.175 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900622537 586649025 /nfs/dbraw/zinc/64/90/25/586649025.db2.gz FBFUEUVZEBHFID-SFHVURJKSA-N 1 3 341.496 0.839 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900622537 586649028 /nfs/dbraw/zinc/64/90/28/586649028.db2.gz FBFUEUVZEBHFID-SFHVURJKSA-N 1 3 341.496 0.839 20 0 ECADHO CN(C(=O)[C@@]1(C)C[C@H](O)CN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900668669 586652999 /nfs/dbraw/zinc/65/29/99/586652999.db2.gz FJNOMJWSQSNVJP-XYJFISCASA-N 1 3 338.496 0.068 20 0 ECADHO CN(C(=O)[C@@]1(C)C[C@H](O)CN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900668669 586653001 /nfs/dbraw/zinc/65/30/01/586653001.db2.gz FJNOMJWSQSNVJP-XYJFISCASA-N 1 3 338.496 0.068 20 0 ECADHO CN(C(=O)[C@@]1(C)C[C@H](O)CN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900668669 586653003 /nfs/dbraw/zinc/65/30/03/586653003.db2.gz FJNOMJWSQSNVJP-XYJFISCASA-N 1 3 338.496 0.068 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000843265693 589058711 /nfs/dbraw/zinc/05/87/11/589058711.db2.gz UQYRJQMIPMXBCN-KGLIPLIRSA-N 1 3 334.464 0.949 20 0 ECADHO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000900694619 586653376 /nfs/dbraw/zinc/65/33/76/586653376.db2.gz FGKRNQQLWRKFMO-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000900681352 586655313 /nfs/dbraw/zinc/65/53/13/586655313.db2.gz MJYHMVLRAZZTGG-UHFFFAOYSA-N 1 3 337.468 0.628 20 0 ECADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000900761295 586660169 /nfs/dbraw/zinc/66/01/69/586660169.db2.gz QRKPSCJOLDIBKV-GOSISDBHSA-N 1 3 339.480 0.404 20 0 ECADHO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000900761295 586660171 /nfs/dbraw/zinc/66/01/71/586660171.db2.gz QRKPSCJOLDIBKV-GOSISDBHSA-N 1 3 339.480 0.404 20 0 ECADHO CN(C)CCn1nccc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000901141607 586697830 /nfs/dbraw/zinc/69/78/30/586697830.db2.gz YXNWIFQIYQHBRY-HNNXBMFYSA-N 1 3 337.468 0.411 20 0 ECADHO CN(C)CCn1nccc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000901141607 586697831 /nfs/dbraw/zinc/69/78/31/586697831.db2.gz YXNWIFQIYQHBRY-HNNXBMFYSA-N 1 3 337.468 0.411 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C12CCN(CC1)C2 ZINC000907461147 586722487 /nfs/dbraw/zinc/72/24/87/586722487.db2.gz IWZNLZBUYKAAKQ-OAHLLOKOSA-N 1 3 346.475 0.237 20 0 ECADHO CN(C)S(=O)(=O)N1CCC[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902384589 586736074 /nfs/dbraw/zinc/73/60/74/586736074.db2.gz NLFYXEFXUXCMIQ-ZIAGYGMSSA-N 1 3 332.514 0.625 20 0 ECADHO [NH3+]CC1(O)CCN(CCOCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000903459385 586776640 /nfs/dbraw/zinc/77/66/40/586776640.db2.gz IDGNINFIEWYYFL-UHFFFAOYSA-N 1 3 347.415 0.085 20 0 ECADHO CCOC(=O)[C@H]1CCCCN1C(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500096 586778149 /nfs/dbraw/zinc/77/81/49/586778149.db2.gz SFCFXGYKPIUQPM-RBSFLKMASA-N 1 3 325.453 0.847 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N(C)C1CCCCC1)C2 ZINC000903491126 586779755 /nfs/dbraw/zinc/77/97/55/586779755.db2.gz WOQVWYDKKFNVEZ-IYOUNJFTSA-N 1 3 337.464 0.990 20 0 ECADHO [NH3+][C@@H]1CN(S(=O)(=O)CCCN2CCCC2)C[C@H]1C(F)(F)F ZINC000903573112 586791709 /nfs/dbraw/zinc/79/17/09/586791709.db2.gz QWDNUDCUICURCO-GHMZBOCLSA-N 1 3 329.388 0.624 20 0 ECADHO COCCOCCOCCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000903761265 586808302 /nfs/dbraw/zinc/80/83/02/586808302.db2.gz OLZVKFJGHRFQPC-IAGOWNOFSA-N 1 3 330.469 0.884 20 0 ECADHO CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903764732 586808813 /nfs/dbraw/zinc/80/88/13/586808813.db2.gz VMKNOJPPZBYQCP-YUTCNCBUSA-N 1 3 335.370 0.755 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000903790901 586813016 /nfs/dbraw/zinc/81/30/16/586813016.db2.gz GDPRFAFCOBMSQC-AWEZNQCLSA-N 1 3 325.453 0.847 20 0 ECADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@@H](N)C(C)(C)C1 ZINC000903775162 586813564 /nfs/dbraw/zinc/81/35/64/586813564.db2.gz ATCSNLOBYJLJBQ-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCN1c1ccncc1 ZINC000903777465 586814122 /nfs/dbraw/zinc/81/41/22/586814122.db2.gz YAGKGKVOBFBXDM-DZGCQCFKSA-N 1 3 345.447 0.314 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)N1CCC(OCCN(C)C)CC1)C(C)C ZINC000903810804 586817296 /nfs/dbraw/zinc/81/72/96/586817296.db2.gz DVNXRWVTDHIXDO-UHFFFAOYSA-N 1 3 342.484 0.012 20 0 ECADHO CN(C)CCOC1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903891959 586821174 /nfs/dbraw/zinc/82/11/74/586821174.db2.gz DXFNNRQWZGHTBK-HNNXBMFYSA-N 1 3 336.484 0.745 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000903898238 586824323 /nfs/dbraw/zinc/82/43/23/586824323.db2.gz MUAKUBGEFWRUEJ-CVEARBPZSA-N 1 3 334.468 0.357 20 0 ECADHO CC1(N2CCOCC2)CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903934726 586826942 /nfs/dbraw/zinc/82/69/42/586826942.db2.gz JGFLXXDJBYEWAG-INIZCTEOSA-N 1 3 348.495 0.889 20 0 ECADHO O=C(C(=O)N1CCC[C@@]12CC[NH2+]C2)N1CC[C@@H](N2CCCCC2)C1 ZINC000905015189 586862384 /nfs/dbraw/zinc/86/23/84/586862384.db2.gz UVILANGHBSJPLV-QAPCUYQASA-N 1 3 334.464 0.428 20 0 ECADHO CN1CCC(C[NH2+]C[C@H](O)C2(O)CCC2)(N2CCCCC2)CC1 ZINC000905140615 586874566 /nfs/dbraw/zinc/87/45/66/586874566.db2.gz XILBORWJWOQSOF-INIZCTEOSA-N 1 3 325.497 0.802 20 0 ECADHO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)C1(O)CCC1 ZINC000905360349 586886499 /nfs/dbraw/zinc/88/64/99/586886499.db2.gz MLPBHQZPEMRJSD-KSZLIROESA-N 1 3 334.460 0.735 20 0 ECADHO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)C1(O)CCC1 ZINC000905360349 586886501 /nfs/dbraw/zinc/88/65/01/586886501.db2.gz MLPBHQZPEMRJSD-KSZLIROESA-N 1 3 334.460 0.735 20 0 ECADHO C[C@H]1CN(CCCNC(=O)C2CN(C)CC[N@H+](C)C2)C[C@H](C)O1 ZINC000905669386 586908475 /nfs/dbraw/zinc/90/84/75/586908475.db2.gz XGYDUVDJFWAVST-GJZGRUSLSA-N 1 3 326.485 0.095 20 0 ECADHO C[C@H]1CN(CCCNC(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000905669386 586908477 /nfs/dbraw/zinc/90/84/77/586908477.db2.gz XGYDUVDJFWAVST-GJZGRUSLSA-N 1 3 326.485 0.095 20 0 ECADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000906091965 586932130 /nfs/dbraw/zinc/93/21/30/586932130.db2.gz RGFHDDITLYZJCG-ILXRZTDVSA-N 1 3 337.468 0.107 20 0 ECADHO [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000906652145 586961553 /nfs/dbraw/zinc/96/15/53/586961553.db2.gz YDQQPPGOCIQUFU-KGLIPLIRSA-N 1 3 332.404 0.063 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)c1 ZINC000906740440 586973357 /nfs/dbraw/zinc/97/33/57/586973357.db2.gz VBEKEDZRFJHEFA-MQMHXKEQSA-N 1 3 334.420 0.419 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000906727495 586976424 /nfs/dbraw/zinc/97/64/24/586976424.db2.gz CAVIDYYTPLJIKM-VNQPRFMTSA-N 1 3 346.431 0.575 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)Nc2cccc(OCC[NH3+])c2)CC1=O ZINC000844164064 589097240 /nfs/dbraw/zinc/09/72/40/589097240.db2.gz ZACDLPHXCJNLBY-CYBMUJFWSA-N 1 3 334.420 0.373 20 0 ECADHO CCOC(=O)C1([C@@H](C)NCCS(=O)(=O)CC2CC2)CC[NH2+]CC1 ZINC000817907616 587391444 /nfs/dbraw/zinc/39/14/44/587391444.db2.gz GBKPRCKJZGPWQL-CYBMUJFWSA-N 1 3 346.493 0.722 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)c1ccco1 ZINC000820069489 587507106 /nfs/dbraw/zinc/50/71/06/587507106.db2.gz YCDURNRYPYVUCE-KBPBESRZSA-N 1 3 326.441 0.884 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)c1ccco1 ZINC000820069489 587507107 /nfs/dbraw/zinc/50/71/07/587507107.db2.gz YCDURNRYPYVUCE-KBPBESRZSA-N 1 3 326.441 0.884 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000827936574 588147592 /nfs/dbraw/zinc/14/75/92/588147592.db2.gz PAFDLMFYVJLXOL-OWCLPIDISA-N 1 3 333.436 0.401 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000828285515 588169860 /nfs/dbraw/zinc/16/98/60/588169860.db2.gz WAKAWJCGCBOBGX-QLFBSQMISA-N 1 3 338.496 0.964 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000828666946 588197699 /nfs/dbraw/zinc/19/76/99/588197699.db2.gz KHMUVADFBHPCRN-UHFFFAOYSA-N 1 3 332.448 0.772 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](N4CCCC4)C3)CC[C@@H]21 ZINC000867380528 589133774 /nfs/dbraw/zinc/13/37/74/589133774.db2.gz IBCIOLULUJIDFR-ZACQAIPSSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](N4CCCC4)C3)CC[C@@H]21 ZINC000867380528 589133776 /nfs/dbraw/zinc/13/37/76/589133776.db2.gz IBCIOLULUJIDFR-ZACQAIPSSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867419019 589199867 /nfs/dbraw/zinc/19/98/67/589199867.db2.gz ZBPUFAABJNCJRH-HOTGVXAUSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000867419019 589199868 /nfs/dbraw/zinc/19/98/68/589199868.db2.gz ZBPUFAABJNCJRH-HOTGVXAUSA-N 1 3 336.480 0.482 20 0 ECADHO [NH2+]=C(NCCCN1CCN(c2ccncc2)CC1)NC[C@@H]1CCCO1 ZINC000849010896 589318701 /nfs/dbraw/zinc/31/87/01/589318701.db2.gz RVZHQOXWTAWLFS-KRWDZBQOSA-N 1 3 346.479 0.887 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849524471 589339746 /nfs/dbraw/zinc/33/97/46/589339746.db2.gz IEAJTRFUICXACI-GVDBMIGSSA-N 1 3 349.479 0.292 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849524471 589339747 /nfs/dbraw/zinc/33/97/47/589339747.db2.gz IEAJTRFUICXACI-GVDBMIGSSA-N 1 3 349.479 0.292 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1 ZINC000851799838 589424625 /nfs/dbraw/zinc/42/46/25/589424625.db2.gz TXPZTVJYVPZUHF-MJGOQNOKSA-N 1 3 349.475 0.792 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2=NO[C@@H](CN)C2)[C@H](C)C1 ZINC000852868957 589520142 /nfs/dbraw/zinc/52/01/42/589520142.db2.gz QRTMFVOZCBEQNA-MCIONIFRSA-N 1 3 326.441 0.343 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C2=NO[C@@H](CN)C2)[C@H](C)C1 ZINC000852868957 589520143 /nfs/dbraw/zinc/52/01/43/589520143.db2.gz QRTMFVOZCBEQNA-MCIONIFRSA-N 1 3 326.441 0.343 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852873091 589520550 /nfs/dbraw/zinc/52/05/50/589520550.db2.gz VVWLIUXVQGBYSD-OAHLLOKOSA-N 1 3 331.420 0.871 20 0 ECADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852930859 589527210 /nfs/dbraw/zinc/52/72/10/589527210.db2.gz OPHGUYWPJDJJOX-KBPBESRZSA-N 1 3 346.479 0.666 20 0 ECADHO C[NH+]1CCC(NC(=S)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000853030032 589529857 /nfs/dbraw/zinc/52/98/57/589529857.db2.gz RYGYADDILWOTOQ-HNNXBMFYSA-N 1 3 326.510 0.798 20 0 ECADHO CCN1CCC[C@@H]1CNC(=S)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853044509 589530239 /nfs/dbraw/zinc/53/02/39/589530239.db2.gz XTDUFMOUPPITRA-CVEARBPZSA-N 1 3 340.537 0.876 20 0 ECADHO CCN1CCC[C@@H]1CNC(=S)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853044509 589530241 /nfs/dbraw/zinc/53/02/41/589530241.db2.gz XTDUFMOUPPITRA-CVEARBPZSA-N 1 3 340.537 0.876 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000857112040 589687386 /nfs/dbraw/zinc/68/73/86/589687386.db2.gz CYIOFBXPRVIMKI-USXIJHARSA-N 1 3 334.464 0.906 20 0 ECADHO C[Si](C)(CCN1CCC[C@H]1C(N)=O)CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000859664135 589706522 /nfs/dbraw/zinc/70/65/22/589706522.db2.gz ZMDDDCMUBHDXQH-KBPBESRZSA-N 1 3 340.544 0.594 20 0 ECADHO C[Si](C)(CCN1CCC[C@H]1C(N)=O)CC[N@H+]1CCC[C@H]1C(N)=O ZINC000859664135 589706523 /nfs/dbraw/zinc/70/65/23/589706523.db2.gz ZMDDDCMUBHDXQH-KBPBESRZSA-N 1 3 340.544 0.594 20 0 ECADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000857841490 589712770 /nfs/dbraw/zinc/71/27/70/589712770.db2.gz CFWJZZFLSYTTDO-BHYGNILZSA-N 1 3 348.491 0.944 20 0 ECADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000857841490 589712773 /nfs/dbraw/zinc/71/27/73/589712773.db2.gz CFWJZZFLSYTTDO-BHYGNILZSA-N 1 3 348.491 0.944 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000867601298 589813570 /nfs/dbraw/zinc/81/35/70/589813570.db2.gz UOHIDDAHYAYKAJ-HRCADAONSA-N 1 3 336.480 0.480 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000867601298 589813574 /nfs/dbraw/zinc/81/35/74/589813574.db2.gz UOHIDDAHYAYKAJ-HRCADAONSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000861540780 589861390 /nfs/dbraw/zinc/86/13/90/589861390.db2.gz YFIDXVVGBKCTBZ-CQSZACIVSA-N 1 3 347.463 0.573 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC000861719428 589880091 /nfs/dbraw/zinc/88/00/91/589880091.db2.gz IDIZWQKPLPLVFE-HCXYKTFWSA-N 1 3 343.471 0.999 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC000861719428 589880093 /nfs/dbraw/zinc/88/00/93/589880093.db2.gz IDIZWQKPLPLVFE-HCXYKTFWSA-N 1 3 343.471 0.999 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000861756479 589888234 /nfs/dbraw/zinc/88/82/34/589888234.db2.gz AFNNPXIEWGAPTL-GDBMZVCRSA-N 1 3 332.448 0.745 20 0 ECADHO CN1CCN(C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)CCC1(C)C ZINC000868297487 589890257 /nfs/dbraw/zinc/89/02/57/589890257.db2.gz JVAMGCBTQGJDPZ-UHFFFAOYSA-N 1 3 348.447 0.905 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)CN1CCN(C)CC1 ZINC000868357847 589896099 /nfs/dbraw/zinc/89/60/99/589896099.db2.gz IMKJFOFSGNASLX-IKGGRYGDSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)CN1CCN(C)CC1 ZINC000868357847 589896101 /nfs/dbraw/zinc/89/61/01/589896101.db2.gz IMKJFOFSGNASLX-IKGGRYGDSA-N 1 3 337.512 0.606 20 0 ECADHO CN1CCN(C2CCN(C(=O)NC[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000868367945 589897197 /nfs/dbraw/zinc/89/71/97/589897197.db2.gz YQVJBTNYMYRTTD-MRXNPFEDSA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCN(C2CCN(C(=O)NC[C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000868367945 589897200 /nfs/dbraw/zinc/89/72/00/589897200.db2.gz YQVJBTNYMYRTTD-MRXNPFEDSA-N 1 3 337.512 0.750 20 0 ECADHO CCN(C(=O)[C@H](F)C(=O)N(CC)[C@H]1CCN(C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000869238190 589955509 /nfs/dbraw/zinc/95/55/09/589955509.db2.gz FGNNJVYYDXHGCT-FICVDOATSA-N 1 3 342.459 0.430 20 0 ECADHO CCN(C(=O)[C@H](F)C(=O)N(CC)[C@H]1CCN(C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000869238190 589955510 /nfs/dbraw/zinc/95/55/10/589955510.db2.gz FGNNJVYYDXHGCT-FICVDOATSA-N 1 3 342.459 0.430 20 0 ECADHO CCN(C(=O)[C@H](F)C(=O)N(CC)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(C)C1 ZINC000869238190 589955512 /nfs/dbraw/zinc/95/55/12/589955512.db2.gz FGNNJVYYDXHGCT-FICVDOATSA-N 1 3 342.459 0.430 20 0 ECADHO CCN(C(=O)[C@H](F)C(=O)N(CC)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C)C1 ZINC000869238190 589955513 /nfs/dbraw/zinc/95/55/13/589955513.db2.gz FGNNJVYYDXHGCT-FICVDOATSA-N 1 3 342.459 0.430 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000863753635 590034560 /nfs/dbraw/zinc/03/45/60/590034560.db2.gz GEYHXWWPIMINNB-HNNXBMFYSA-N 1 3 346.475 0.915 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1CC2(CO1)CCOCC2 ZINC000872142888 590097941 /nfs/dbraw/zinc/09/79/41/590097941.db2.gz DKKKUBIAACVEJW-JKSUJKDBSA-N 1 3 339.480 0.892 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000865811382 590159357 /nfs/dbraw/zinc/15/93/57/590159357.db2.gz QXVLLYDOLSIUSI-STQMWFEESA-N 1 3 330.473 0.898 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876752055 590408555 /nfs/dbraw/zinc/40/85/55/590408555.db2.gz FQJIEZOEWTWGHK-QAPCUYQASA-N 1 3 334.464 0.285 20 0 ECADHO CN1CCN(CCOc2ccc(NC(=O)[C@@H](N)C[NH+](C)C)cc2)CC1 ZINC000876785287 590415176 /nfs/dbraw/zinc/41/51/76/590415176.db2.gz SXUQSWUXADCXLQ-KRWDZBQOSA-N 1 3 349.479 0.140 20 0 ECADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000876880170 590421851 /nfs/dbraw/zinc/42/18/51/590421851.db2.gz FYRUXXUUENUPFH-BYQDXSGLSA-N 1 3 337.464 0.789 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000877008845 590433157 /nfs/dbraw/zinc/43/31/57/590433157.db2.gz AODCSNAOWGOTSP-DZGCQCFKSA-N 1 3 336.411 0.864 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000883645731 590640077 /nfs/dbraw/zinc/64/00/77/590640077.db2.gz UUEHTOUSLIDYNN-CRAIPNDOSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000883645689 590640207 /nfs/dbraw/zinc/64/02/07/590640207.db2.gz SQOLKFILAZMJCB-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885285216 590704307 /nfs/dbraw/zinc/70/43/07/590704307.db2.gz IOFKKOHOISNPPB-CYBMUJFWSA-N 1 3 348.438 0.394 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884207794 590774891 /nfs/dbraw/zinc/77/48/91/590774891.db2.gz GKTOBGDUMSPKTP-HZPDHXFCSA-N 1 3 345.447 0.084 20 0 ECADHO COCC[C@@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000884233896 590785004 /nfs/dbraw/zinc/78/50/04/590785004.db2.gz CAHYNDROWXLIQQ-MSOLQXFVSA-N 1 3 348.491 0.845 20 0 ECADHO CC[NH+]1CCN(CCNC(=O)[C@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000884234324 590785012 /nfs/dbraw/zinc/78/50/12/590785012.db2.gz PYZXKZFCEUYALJ-QGZVFWFLSA-N 1 3 343.475 0.791 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)CCCCCC[NH3+])CC1 ZINC000884576261 590861749 /nfs/dbraw/zinc/86/17/49/590861749.db2.gz CWNOQPGIXNCBBE-UHFFFAOYSA-N 1 3 326.485 0.812 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884577933 590862449 /nfs/dbraw/zinc/86/24/49/590862449.db2.gz PDQTUUNHFAJWIG-OLZOCXBDSA-N 1 3 346.422 0.338 20 0 ECADHO COC(=O)[C@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000886624850 590866406 /nfs/dbraw/zinc/86/64/06/590866406.db2.gz BGVVLIIBDDMIOB-JKSUJKDBSA-N 1 3 339.480 0.714 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884601439 590867518 /nfs/dbraw/zinc/86/75/18/590867518.db2.gz LQTLCQDTHZVBMU-RHSMWYFYSA-N 1 3 346.475 0.664 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884601439 590867519 /nfs/dbraw/zinc/86/75/19/590867519.db2.gz LQTLCQDTHZVBMU-RHSMWYFYSA-N 1 3 346.475 0.664 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884601440 590867820 /nfs/dbraw/zinc/86/78/20/590867820.db2.gz LQTLCQDTHZVBMU-WMLDXEAASA-N 1 3 346.475 0.664 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884601440 590867825 /nfs/dbraw/zinc/86/78/25/590867825.db2.gz LQTLCQDTHZVBMU-WMLDXEAASA-N 1 3 346.475 0.664 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884618010 590873406 /nfs/dbraw/zinc/87/34/06/590873406.db2.gz VQPPRTLWKNQXAB-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884618292 590873675 /nfs/dbraw/zinc/87/36/75/590873675.db2.gz ZWQOOTSAGAPXAU-FZKCQIBNSA-N 1 3 336.480 0.624 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000884631222 590878473 /nfs/dbraw/zinc/87/84/73/590878473.db2.gz BZTWGLCPSPRQTG-QKPAOTATSA-N 1 3 334.464 0.234 20 0 ECADHO CN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1(C[NH3+])CCCCC1 ZINC000884631476 590878491 /nfs/dbraw/zinc/87/84/91/590878491.db2.gz LEVLXUBOLXCBGI-OAHLLOKOSA-N 1 3 336.480 0.707 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884664594 590885939 /nfs/dbraw/zinc/88/59/39/590885939.db2.gz PZUUPOOKBFNECZ-KKUMJFAQSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCNCCC12CCC2)C[NH+]1CCCC1 ZINC000884669978 590887338 /nfs/dbraw/zinc/88/73/38/590887338.db2.gz LWCGVTGCDNQFIZ-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCC1(C)C ZINC000884691108 590898459 /nfs/dbraw/zinc/89/84/59/590898459.db2.gz WTDIGPPZCXUBGQ-HNNXBMFYSA-N 1 3 332.448 0.745 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884729764 590913148 /nfs/dbraw/zinc/91/31/48/590913148.db2.gz VIWMLYMIWPATBI-IHRRRGAJSA-N 1 3 333.436 0.361 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCCCCCC[NH3+] ZINC000884731897 590913350 /nfs/dbraw/zinc/91/33/50/590913350.db2.gz HJDRTDQNASQDCM-HNNXBMFYSA-N 1 3 347.463 0.754 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000887091356 590941968 /nfs/dbraw/zinc/94/19/68/590941968.db2.gz INIJQFADFLOQQZ-CQSZACIVSA-N 1 3 347.463 0.562 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621061 611369785 /nfs/dbraw/zinc/36/97/85/611369785.db2.gz ILKREKNAGAOTHN-SOUVJXGZSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621061 611369790 /nfs/dbraw/zinc/36/97/90/611369790.db2.gz ILKREKNAGAOTHN-SOUVJXGZSA-N 1 3 336.480 0.515 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2CC1)C1CCC1 ZINC000946623515 611370855 /nfs/dbraw/zinc/37/08/55/611370855.db2.gz KWMPEFAYKJMQKF-HLLBOEOZSA-N 1 3 348.491 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1)C1CCC1 ZINC000946623515 611370859 /nfs/dbraw/zinc/37/08/59/611370859.db2.gz KWMPEFAYKJMQKF-HLLBOEOZSA-N 1 3 348.491 0.530 20 0 ECADHO CCO[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCN1CC)C[NH+](C)C ZINC000929956949 611371397 /nfs/dbraw/zinc/37/13/97/611371397.db2.gz XOPWSBXZMIUAQJ-CABCVRRESA-N 1 3 342.484 0.060 20 0 ECADHO C[NH+](C)[C@@]1(CN2C(=O)N[C@H](CN3CCCCC3)C2=O)CCSC1 ZINC000924484340 611407699 /nfs/dbraw/zinc/40/76/99/611407699.db2.gz WXUYKOWUVBSODL-CZUORRHYSA-N 1 3 340.493 0.830 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(CC2([NH+](C)C)Cc3ccccc3C2)C1=O ZINC000924682636 611423023 /nfs/dbraw/zinc/42/30/23/611423023.db2.gz CIYBKGYDJSROIZ-OAHLLOKOSA-N 1 3 330.432 0.568 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926294237 611531904 /nfs/dbraw/zinc/53/19/04/611531904.db2.gz SOWVQIPHMJEYSC-HUUCEWRRSA-N 1 3 326.485 0.476 20 0 ECADHO COCCN(C[C@H]1CN=C(c2cnn(C)c2)O1)CC1CC[NH+](C)CC1 ZINC000931381374 611533813 /nfs/dbraw/zinc/53/38/13/611533813.db2.gz XJBGXKGEPHBHJZ-QGZVFWFLSA-N 1 3 349.479 0.856 20 0 ECADHO Cn1cc([C@H]2[C@H](CNC3[C@@H]4CC[C@H]3C[N@@H+](C)C4)OCCN2C)cn1 ZINC000926707743 611565073 /nfs/dbraw/zinc/56/50/73/611565073.db2.gz ULUXFOIFMKIFTF-URZDDQNSSA-N 1 3 333.480 0.722 20 0 ECADHO Cn1cc([C@H]2[C@H](CNC3[C@@H]4CC[C@H]3C[N@H+](C)C4)OCCN2C)cn1 ZINC000926707743 611565077 /nfs/dbraw/zinc/56/50/77/611565077.db2.gz ULUXFOIFMKIFTF-URZDDQNSSA-N 1 3 333.480 0.722 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000932417425 611624327 /nfs/dbraw/zinc/62/43/27/611624327.db2.gz FQPRCKFJKHOPQA-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000947650211 611633544 /nfs/dbraw/zinc/63/35/44/611633544.db2.gz SUVXGBFEHWNXCX-GOEBONIOSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000947650211 611633548 /nfs/dbraw/zinc/63/35/48/611633548.db2.gz SUVXGBFEHWNXCX-GOEBONIOSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949251451 608597884 /nfs/dbraw/zinc/59/78/84/608597884.db2.gz NRGZDZKQHLBLGG-HZPDHXFCSA-N 1 3 339.480 0.545 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000928104588 608677207 /nfs/dbraw/zinc/67/72/07/608677207.db2.gz PCXUFZCHYOXNKN-RBSFLKMASA-N 1 3 327.494 0.651 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928104588 608677209 /nfs/dbraw/zinc/67/72/09/608677209.db2.gz PCXUFZCHYOXNKN-RBSFLKMASA-N 1 3 327.494 0.651 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928104588 608677212 /nfs/dbraw/zinc/67/72/12/608677212.db2.gz PCXUFZCHYOXNKN-RBSFLKMASA-N 1 3 327.494 0.651 20 0 ECADHO COc1ccc(C[C@@](C)(CO)NCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000933430400 608752963 /nfs/dbraw/zinc/75/29/63/608752963.db2.gz NYYLFUNNUFEAQA-IBGZPJMESA-N 1 3 349.475 0.789 20 0 ECADHO COc1ccc(C[C@](C)(CO)NCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000933430402 608753011 /nfs/dbraw/zinc/75/30/11/608753011.db2.gz NYYLFUNNUFEAQA-LJQANCHMSA-N 1 3 349.475 0.789 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000167214394 609023169 /nfs/dbraw/zinc/02/31/69/609023169.db2.gz MHOQINUELCEQIA-PMPSAXMXSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCn1cncn1 ZINC000947775919 611685771 /nfs/dbraw/zinc/68/57/71/611685771.db2.gz RTNAAXCJJPIPGG-RDJZCZTQSA-N 1 3 348.495 0.979 20 0 ECADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928559462 611699634 /nfs/dbraw/zinc/69/96/34/611699634.db2.gz YEZHSADBKQASHQ-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928559462 611699637 /nfs/dbraw/zinc/69/96/37/611699637.db2.gz YEZHSADBKQASHQ-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@H]1CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928559462 611699638 /nfs/dbraw/zinc/69/96/38/611699638.db2.gz YEZHSADBKQASHQ-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@H]1CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928559462 611699641 /nfs/dbraw/zinc/69/96/41/611699641.db2.gz YEZHSADBKQASHQ-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907806873 609620577 /nfs/dbraw/zinc/62/05/77/609620577.db2.gz IOOZIDGJXZSJPC-YJBOKZPZSA-N 1 3 339.480 0.545 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907806873 609620579 /nfs/dbraw/zinc/62/05/79/609620579.db2.gz IOOZIDGJXZSJPC-YJBOKZPZSA-N 1 3 339.480 0.545 20 0 ECADHO O=C(CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)NCCN1CCCCC1 ZINC000909312633 609693871 /nfs/dbraw/zinc/69/38/71/609693871.db2.gz LCRMTHZYLPLHOP-JKSUJKDBSA-N 1 3 336.480 0.722 20 0 ECADHO O=C(CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)NCCN1CCCCC1 ZINC000909312633 609693874 /nfs/dbraw/zinc/69/38/74/609693874.db2.gz LCRMTHZYLPLHOP-JKSUJKDBSA-N 1 3 336.480 0.722 20 0 ECADHO CC[NH+](CC)CCOCCN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000925333676 609696462 /nfs/dbraw/zinc/69/64/62/609696462.db2.gz WMHRHCAJJUIWJE-OAHLLOKOSA-N 1 3 340.468 0.751 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCNC(=O)NC)CC2)CC1 ZINC000910892898 609775433 /nfs/dbraw/zinc/77/54/33/609775433.db2.gz IAIRVGSKGJYMQK-UHFFFAOYSA-N 1 3 339.484 0.228 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)Cc1ccccc1 ZINC000910963632 609783713 /nfs/dbraw/zinc/78/37/13/609783713.db2.gz SQMRKGDISOLYIJ-HZPDHXFCSA-N 1 3 346.475 0.390 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N(C)Cc1ccccc1 ZINC000911006167 609793458 /nfs/dbraw/zinc/79/34/58/609793458.db2.gz DIPQORPKEXOOMA-INMHGKMJSA-N 1 3 346.475 0.595 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@@H+]1C ZINC000911007432 609793533 /nfs/dbraw/zinc/79/35/33/609793533.db2.gz JTDBFIHHIXIHKT-DDUYRFODSA-N 1 3 330.432 0.326 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@H+]1C ZINC000911007432 609793535 /nfs/dbraw/zinc/79/35/35/609793535.db2.gz JTDBFIHHIXIHKT-DDUYRFODSA-N 1 3 330.432 0.326 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911139243 609808606 /nfs/dbraw/zinc/80/86/06/609808606.db2.gz ZCXUUILNTRSIKK-HZPDHXFCSA-N 1 3 332.448 0.575 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911139243 609808607 /nfs/dbraw/zinc/80/86/07/609808607.db2.gz ZCXUUILNTRSIKK-HZPDHXFCSA-N 1 3 332.448 0.575 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911148365 609815398 /nfs/dbraw/zinc/81/53/98/609815398.db2.gz XOIHJSASILPXNT-KSHAWTQOSA-N 1 3 342.443 0.326 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CCSC1 ZINC000911201625 609823765 /nfs/dbraw/zinc/82/37/65/609823765.db2.gz XKSFHSMJSPASSP-XJKSGUPXSA-N 1 3 342.509 0.188 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911211900 609826460 /nfs/dbraw/zinc/82/64/60/609826460.db2.gz VIPSTRJCSWBCRH-USXIJHARSA-N 1 3 344.459 0.718 20 0 ECADHO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000911324679 609847749 /nfs/dbraw/zinc/84/77/49/609847749.db2.gz JBVIJWQWVWIBCR-WFXMFSGNSA-N 1 3 348.491 0.768 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911311193 609850929 /nfs/dbraw/zinc/85/09/29/609850929.db2.gz CIJJQTWDWGBYAE-IAGOWNOFSA-N 1 3 346.475 0.821 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911311193 609850931 /nfs/dbraw/zinc/85/09/31/609850931.db2.gz CIJJQTWDWGBYAE-IAGOWNOFSA-N 1 3 346.475 0.821 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000911370309 609863888 /nfs/dbraw/zinc/86/38/88/609863888.db2.gz WBFHKFSARFQBOF-NVXWUHKLSA-N 1 3 346.475 0.343 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000911374686 609864219 /nfs/dbraw/zinc/86/42/19/609864219.db2.gz MDZKIDKGQCYMPQ-IUODEOHRSA-N 1 3 336.436 0.202 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000911377798 609864699 /nfs/dbraw/zinc/86/46/99/609864699.db2.gz FRRJBQORGVXSHM-KGLIPLIRSA-N 1 3 336.436 0.142 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000911402799 609868122 /nfs/dbraw/zinc/86/81/22/609868122.db2.gz ZQZRKUDQHPGEKE-BZUAXINKSA-N 1 3 336.480 0.435 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)C[C@]2(C)C1 ZINC000911519531 609891027 /nfs/dbraw/zinc/89/10/27/609891027.db2.gz JJMHVNAWCSLZCM-ZIGSKRJUSA-N 1 3 342.443 0.137 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)C[C@]2(C)C1 ZINC000911519531 609891028 /nfs/dbraw/zinc/89/10/28/609891028.db2.gz JJMHVNAWCSLZCM-ZIGSKRJUSA-N 1 3 342.443 0.137 20 0 ECADHO CN1CCNC[C@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000911734743 609908566 /nfs/dbraw/zinc/90/85/66/609908566.db2.gz BZJPVMBHYATLID-INIZCTEOSA-N 1 3 346.431 0.438 20 0 ECADHO CN(CCO)CCN(C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000912605776 609976809 /nfs/dbraw/zinc/97/68/09/609976809.db2.gz ADYUWGVIBMASIW-UHFFFAOYSA-N 1 3 327.469 0.404 20 0 ECADHO CC[NH+]1CCN(CC(=O)NC(C)(C)CCN2CCOCC2)CC1 ZINC000912952663 610024106 /nfs/dbraw/zinc/02/41/06/610024106.db2.gz SHMITBKAJTWUBP-UHFFFAOYSA-N 1 3 326.485 0.241 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000938305029 610040213 /nfs/dbraw/zinc/04/02/13/610040213.db2.gz ONUGQBZPBQZBRX-WMZOPIPTSA-N 1 3 348.491 0.674 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000919636544 610052359 /nfs/dbraw/zinc/05/23/59/610052359.db2.gz YDMREGAGGDYHQM-ZBFHGGJFSA-N 1 3 340.468 0.260 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000919636544 610052360 /nfs/dbraw/zinc/05/23/60/610052360.db2.gz YDMREGAGGDYHQM-ZBFHGGJFSA-N 1 3 340.468 0.260 20 0 ECADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCC(=O)N1CCC1 ZINC000939259933 610133201 /nfs/dbraw/zinc/13/32/01/610133201.db2.gz XONWYCXIRUPVML-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)C1 ZINC000941639265 610424607 /nfs/dbraw/zinc/42/46/07/610424607.db2.gz OQUMETFLTRPIQP-KRWDZBQOSA-N 1 3 334.508 0.957 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)C1 ZINC000941639265 610424609 /nfs/dbraw/zinc/42/46/09/610424609.db2.gz OQUMETFLTRPIQP-KRWDZBQOSA-N 1 3 334.508 0.957 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000941691053 610465583 /nfs/dbraw/zinc/46/55/83/610465583.db2.gz IGYWGSYHFXKYNE-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(CCn3cncn3)CC2(C)C)CC1 ZINC000940992416 610485452 /nfs/dbraw/zinc/48/54/52/610485452.db2.gz CJBHLASUHHCYAF-MRXNPFEDSA-N 1 3 348.495 0.837 20 0 ECADHO CC(C)[C@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000941098037 610546405 /nfs/dbraw/zinc/54/64/05/610546405.db2.gz XEYZFDSXQRNLRO-HZPDHXFCSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)[C@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000941098037 610546407 /nfs/dbraw/zinc/54/64/07/610546407.db2.gz XEYZFDSXQRNLRO-HZPDHXFCSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1N=NC(=O)N1C ZINC000923200931 611214138 /nfs/dbraw/zinc/21/41/38/611214138.db2.gz GUHTUQJKYIHJMQ-NWDGAFQWSA-N 1 3 341.460 0.153 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1N=NC(=O)N1C ZINC000923200931 611214140 /nfs/dbraw/zinc/21/41/40/611214140.db2.gz GUHTUQJKYIHJMQ-NWDGAFQWSA-N 1 3 341.460 0.153 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H](O)c2ccc(F)cc2F)C1 ZINC000923282447 611224093 /nfs/dbraw/zinc/22/40/93/611224093.db2.gz WEGQRZGUSCZQFC-NHYWBVRUSA-N 1 3 327.375 0.785 20 0 ECADHO COc1cccc(OC)c1OC[C@H](O)CN1CCC(O)(C[NH3+])CC1 ZINC000923380765 611235717 /nfs/dbraw/zinc/23/57/17/611235717.db2.gz ICVJJOUQBVGFNJ-CYBMUJFWSA-N 1 3 340.420 0.229 20 0 ECADHO Cn1c(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc(=O)n(C)c1=O ZINC000923502810 611251451 /nfs/dbraw/zinc/25/14/51/611251451.db2.gz BPINVAYMGRBMGT-CQSZACIVSA-N 1 3 334.464 0.686 20 0 ECADHO COc1ccc([C@@H](C[NH3+])CN2CCC3(CC2)C[C@H](O)CNC3=O)cc1 ZINC000923525659 611255904 /nfs/dbraw/zinc/25/59/04/611255904.db2.gz JDIRPXWGBAOYJE-HOTGVXAUSA-N 1 3 347.459 0.701 20 0 ECADHO Cc1ccc(S(=O)(=O)N(CCN(C)C)C2CC[NH+](C)CC2)nn1 ZINC000867124830 611307824 /nfs/dbraw/zinc/30/78/24/611307824.db2.gz PMKPWYYYNFEHEW-UHFFFAOYSA-N 1 3 341.481 0.432 20 0 ECADHO CCOC(=O)C1([C@H](C)NC[C@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000933886138 611756782 /nfs/dbraw/zinc/75/67/82/611756782.db2.gz JZJAQSVULNMMIY-GJZGRUSLSA-N 1 3 328.453 0.781 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949108110 611857086 /nfs/dbraw/zinc/85/70/86/611857086.db2.gz BBMULERZZYXTEZ-INIZCTEOSA-N 1 3 339.480 0.547 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951241605 612099135 /nfs/dbraw/zinc/09/91/35/612099135.db2.gz RUGBYRVMEOFPNZ-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954497995 612332139 /nfs/dbraw/zinc/33/21/39/612332139.db2.gz AQYGRGNMWLLIIU-HUUCEWRRSA-N 1 3 336.480 0.624 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954503151 612338848 /nfs/dbraw/zinc/33/88/48/612338848.db2.gz HKNGGNOVDGZCMT-HOTGVXAUSA-N 1 3 336.480 0.624 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954503151 612338853 /nfs/dbraw/zinc/33/88/53/612338853.db2.gz HKNGGNOVDGZCMT-HOTGVXAUSA-N 1 3 336.480 0.624 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000951697031 612481156 /nfs/dbraw/zinc/48/11/56/612481156.db2.gz YFJWPCFBJLHWSS-GOEBONIOSA-N 1 3 347.463 0.791 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000951697031 612481158 /nfs/dbraw/zinc/48/11/58/612481158.db2.gz YFJWPCFBJLHWSS-GOEBONIOSA-N 1 3 347.463 0.791 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC000954704369 612569286 /nfs/dbraw/zinc/56/92/86/612569286.db2.gz CGOZJLGCYUBWIA-GDBMZVCRSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC000954704369 612569291 /nfs/dbraw/zinc/56/92/91/612569291.db2.gz CGOZJLGCYUBWIA-GDBMZVCRSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000955445695 612595221 /nfs/dbraw/zinc/59/52/21/612595221.db2.gz OKKPDKZMXZFTEF-GDBMZVCRSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000955445695 612595226 /nfs/dbraw/zinc/59/52/26/612595226.db2.gz OKKPDKZMXZFTEF-GDBMZVCRSA-N 1 3 345.447 0.638 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000954838085 612732616 /nfs/dbraw/zinc/73/26/16/612732616.db2.gz BJYRCZIDBUMNRZ-CABCVRRESA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000954838085 612732619 /nfs/dbraw/zinc/73/26/19/612732619.db2.gz BJYRCZIDBUMNRZ-CABCVRRESA-N 1 3 336.480 0.339 20 0 ECADHO CN(CC(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2)C1CCC1 ZINC000969237919 731633988 /nfs/dbraw/zinc/63/39/88/731633988.db2.gz ASJLQRPELSHNIS-BHYGNILZSA-N 1 3 348.491 0.624 20 0 ECADHO CN(CC(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2)C1CCC1 ZINC000969237919 731633990 /nfs/dbraw/zinc/63/39/90/731633990.db2.gz ASJLQRPELSHNIS-BHYGNILZSA-N 1 3 348.491 0.624 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000969403226 731807376 /nfs/dbraw/zinc/80/73/76/731807376.db2.gz CZVDIQCBFZNCRJ-ISXWCOSWSA-N 1 3 349.475 0.467 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)C1 ZINC000969960998 732565217 /nfs/dbraw/zinc/56/52/17/732565217.db2.gz XRPDRWVOXXGYGF-RHSMWYFYSA-N 1 3 344.459 0.818 20 0 ECADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240160 733086765 /nfs/dbraw/zinc/08/67/65/733086765.db2.gz DDMJVMRENVBHMA-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CN1CCC[C@H](N[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC000970792108 733943112 /nfs/dbraw/zinc/94/31/12/733943112.db2.gz FKYRFLSRXHDBKZ-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001211286423 734250230 /nfs/dbraw/zinc/25/02/30/734250230.db2.gz UGAJLXQZXVQEQW-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001104362976 734722481 /nfs/dbraw/zinc/72/24/81/734722481.db2.gz SQVNRWNQHCRIBZ-ZIAGYGMSSA-N 1 3 326.485 0.537 20 0 ECADHO CN(CC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CCC1 ZINC000971688264 734949333 /nfs/dbraw/zinc/94/93/33/734949333.db2.gz VJOSZWNOZRXIEY-KRWDZBQOSA-N 1 3 346.475 0.902 20 0 ECADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CCC1 ZINC000971688264 734949335 /nfs/dbraw/zinc/94/93/35/734949335.db2.gz VJOSZWNOZRXIEY-KRWDZBQOSA-N 1 3 346.475 0.902 20 0 ECADHO CO[C@H](C)C[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562313 735560427 /nfs/dbraw/zinc/56/04/27/735560427.db2.gz WIUYVXURTFYQGW-OAHLLOKOSA-N 1 3 327.469 0.402 20 0 ECADHO CO[C@H](C)C[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562313 735560429 /nfs/dbraw/zinc/56/04/29/735560429.db2.gz WIUYVXURTFYQGW-OAHLLOKOSA-N 1 3 327.469 0.402 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000972355038 735998549 /nfs/dbraw/zinc/99/85/49/735998549.db2.gz RDSXZSGRUVOBOR-CVEARBPZSA-N 1 3 334.464 0.758 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000972355038 735998552 /nfs/dbraw/zinc/99/85/52/735998552.db2.gz RDSXZSGRUVOBOR-CVEARBPZSA-N 1 3 334.464 0.758 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001167627031 736152300 /nfs/dbraw/zinc/15/23/00/736152300.db2.gz JAIHSRYEFGTWNV-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001023130321 736525837 /nfs/dbraw/zinc/52/58/37/736525837.db2.gz JGMSVPVNUBVZOD-HLLBOEOZSA-N 1 3 344.459 0.829 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001023131156 736526322 /nfs/dbraw/zinc/52/63/22/736526322.db2.gz XTUFOIRXNBHJKE-ZNMIVQPWSA-N 1 3 337.468 0.123 20 0 ECADHO COCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023499944 736925040 /nfs/dbraw/zinc/92/50/40/736925040.db2.gz MKSJVZUHLOLJKN-CTMQZQKCSA-N 1 3 337.464 0.324 20 0 ECADHO COCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023499944 736925044 /nfs/dbraw/zinc/92/50/44/736925044.db2.gz MKSJVZUHLOLJKN-CTMQZQKCSA-N 1 3 337.464 0.324 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001023560046 737010774 /nfs/dbraw/zinc/01/07/74/737010774.db2.gz JYAIBXZRJJUTLE-OLZOCXBDSA-N 1 3 336.436 0.657 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001023560046 737010778 /nfs/dbraw/zinc/01/07/78/737010778.db2.gz JYAIBXZRJJUTLE-OLZOCXBDSA-N 1 3 336.436 0.657 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN(CCn3cncn3)C2)CC1 ZINC001023572422 737024596 /nfs/dbraw/zinc/02/45/96/737024596.db2.gz CEPIBRPCCJUEHI-OAHLLOKOSA-N 1 3 334.468 0.448 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023572691 737024680 /nfs/dbraw/zinc/02/46/80/737024680.db2.gz LFJRIDSNPJDKGA-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H](CNCc2cn(C)nn2)C1)[NH+](C)C ZINC001024139348 737752123 /nfs/dbraw/zinc/75/21/23/737752123.db2.gz GZMNJPVVTXELGL-GOEBONIOSA-N 1 3 336.484 0.730 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001067467199 737770978 /nfs/dbraw/zinc/77/09/78/737770978.db2.gz SJFMLFYVVFVEFP-MRXNPFEDSA-N 1 3 338.496 0.731 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001067467199 737770981 /nfs/dbraw/zinc/77/09/81/737770981.db2.gz SJFMLFYVVFVEFP-MRXNPFEDSA-N 1 3 338.496 0.731 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](CNCc2cn(C)nn2)C1 ZINC001024156292 737783379 /nfs/dbraw/zinc/78/33/79/737783379.db2.gz KWZGUXLLPBXMJM-GJZGRUSLSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](CNCc2cn(C)nn2)C1 ZINC001024156292 737783383 /nfs/dbraw/zinc/78/33/83/737783383.db2.gz KWZGUXLLPBXMJM-GJZGRUSLSA-N 1 3 334.468 0.628 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001024178540 737800163 /nfs/dbraw/zinc/80/01/63/737800163.db2.gz ALVXTWJVOFMSBD-DZGCQCFKSA-N 1 3 343.435 0.559 20 0 ECADHO CN1CCC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178561 737800831 /nfs/dbraw/zinc/80/08/31/737800831.db2.gz AXKZUWHTLFANOC-ZFWWWQNUSA-N 1 3 333.436 0.401 20 0 ECADHO Cn1ccc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O ZINC001024796922 738304552 /nfs/dbraw/zinc/30/45/52/738304552.db2.gz IWMBZYOGFFHNDZ-IRXDYDNUSA-N 1 3 346.475 0.808 20 0 ECADHO Cn1ccc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001024796922 738304555 /nfs/dbraw/zinc/30/45/55/738304555.db2.gz IWMBZYOGFFHNDZ-IRXDYDNUSA-N 1 3 346.475 0.808 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000973312758 739090013 /nfs/dbraw/zinc/09/00/13/739090013.db2.gz YJFNHGCNZMOKGA-HJWJTTGWSA-N 1 3 348.491 0.433 20 0 ECADHO Cc1cc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001026045308 740331843 /nfs/dbraw/zinc/33/18/43/740331843.db2.gz YJOSJGUNZHFSEV-FUEZWAHWSA-N 1 3 345.491 0.744 20 0 ECADHO Cc1cc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001026045308 740331848 /nfs/dbraw/zinc/33/18/48/740331848.db2.gz YJOSJGUNZHFSEV-FUEZWAHWSA-N 1 3 345.491 0.744 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001104810028 740543671 /nfs/dbraw/zinc/54/36/71/740543671.db2.gz WOIWCRHBZMWOKB-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(=O)N3CCC3)[C@@H]2C1)C1CCC1 ZINC001026283173 740741193 /nfs/dbraw/zinc/74/11/93/740741193.db2.gz DAROJNNAXNVYGC-UAGQMJEPSA-N 1 3 348.491 0.530 20 0 ECADHO Cn1ncnc1CN[C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001026346175 740974866 /nfs/dbraw/zinc/97/48/66/740974866.db2.gz FDVFTKVDCAFJFW-HRCADAONSA-N 1 3 346.479 0.484 20 0 ECADHO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)cn1 ZINC001026364933 741065043 /nfs/dbraw/zinc/06/50/43/741065043.db2.gz OFWGHTYRDZZXAR-NUEKZKHPSA-N 1 3 328.420 0.713 20 0 ECADHO Cc1nnc(CN[C@@H]2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)[nH]1 ZINC001026400588 741235953 /nfs/dbraw/zinc/23/59/53/741235953.db2.gz LVVPHZNIUWAIIE-SOUVJXGZSA-N 1 3 344.463 0.536 20 0 ECADHO O=C(N1C[C@@H]2CC[C@@H](NCc3cnns3)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001026400025 741238388 /nfs/dbraw/zinc/23/83/88/741238388.db2.gz CBYKCWKDNZWHGX-AEGPPILISA-N 1 3 347.488 0.961 20 0 ECADHO CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C)C(N)=O ZINC001105066964 741285286 /nfs/dbraw/zinc/28/52/86/741285286.db2.gz HLIBMJVXJFSDHX-RBSFLKMASA-N 1 3 326.485 0.665 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000974326473 741322278 /nfs/dbraw/zinc/32/22/78/741322278.db2.gz KHBSLCHHCWIZNJ-SOUVJXGZSA-N 1 3 334.464 0.187 20 0 ECADHO O=C(CN1CCCC1)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cnns3)[C@H]2C1 ZINC001026420602 741335867 /nfs/dbraw/zinc/33/58/67/741335867.db2.gz KATZVZXPOYQGBF-AEGPPILISA-N 1 3 335.477 0.961 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001105243692 741542806 /nfs/dbraw/zinc/54/28/06/741542806.db2.gz GGOAMRCPXUQFRY-GDBMZVCRSA-N 1 3 348.451 0.024 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001105243692 741542810 /nfs/dbraw/zinc/54/28/10/741542810.db2.gz GGOAMRCPXUQFRY-GDBMZVCRSA-N 1 3 348.451 0.024 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105326975 741805634 /nfs/dbraw/zinc/80/56/34/741805634.db2.gz NMMAJEXUKBDELM-SUMWQHHRSA-N 1 3 346.479 0.749 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105326975 741805642 /nfs/dbraw/zinc/80/56/42/741805642.db2.gz NMMAJEXUKBDELM-SUMWQHHRSA-N 1 3 346.479 0.749 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327283 741813638 /nfs/dbraw/zinc/81/36/38/741813638.db2.gz ZHKOQBQXSXSQGM-CJNGLKHVSA-N 1 3 334.468 0.605 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105327283 741813644 /nfs/dbraw/zinc/81/36/44/741813644.db2.gz ZHKOQBQXSXSQGM-CJNGLKHVSA-N 1 3 334.468 0.605 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]C[C@@H]3CCc4ncnn43)C2)CCC1 ZINC001026885915 742026602 /nfs/dbraw/zinc/02/66/02/742026602.db2.gz OXGIUPWFNYKIFK-CABCVRRESA-N 1 3 346.479 0.688 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC001026887977 742044896 /nfs/dbraw/zinc/04/48/96/742044896.db2.gz YWXLGZVTPZIBMI-QAPCUYQASA-N 1 3 346.475 0.664 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1)C1CCC1 ZINC001026888223 742045944 /nfs/dbraw/zinc/04/59/44/742045944.db2.gz AYAXFQJXMHSPQO-GOEBONIOSA-N 1 3 346.479 0.688 20 0 ECADHO C[C@@H](NC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1nncn1C ZINC001026939627 742135364 /nfs/dbraw/zinc/13/53/64/742135364.db2.gz MBPPQUZKTRNMQL-HUUCEWRRSA-N 1 3 346.479 0.943 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001027036435 742347925 /nfs/dbraw/zinc/34/79/25/742347925.db2.gz AJMUYROZLGAKOI-CQSZACIVSA-N 1 3 334.468 0.578 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)n1 ZINC001027064199 742433069 /nfs/dbraw/zinc/43/30/69/742433069.db2.gz ZDPADCNHYJKTFC-CABCVRRESA-N 1 3 347.463 0.908 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000975402081 742807509 /nfs/dbraw/zinc/80/75/09/742807509.db2.gz KYCLNYHYVOGDOX-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996822989 742919006 /nfs/dbraw/zinc/91/90/06/742919006.db2.gz RTDKQFVLQZCKEH-CKXIEVRYSA-N 1 3 349.475 0.467 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC([NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC000997004626 743118686 /nfs/dbraw/zinc/11/86/86/743118686.db2.gz FOUKYUDUNSFDFQ-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997006286 743119912 /nfs/dbraw/zinc/11/99/12/743119912.db2.gz KQSGUPQVGDUZFA-INIZCTEOSA-N 1 3 328.432 0.265 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1)[NH+]1CCCC1 ZINC001027236205 743253353 /nfs/dbraw/zinc/25/33/53/743253353.db2.gz JCRLKRUXQAMVNW-WBVHZDCISA-N 1 3 348.495 0.874 20 0 ECADHO Cc1nnc([C@H](C)NC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC000997188045 743331735 /nfs/dbraw/zinc/33/17/35/743331735.db2.gz OBGSKPOCCTXVFW-LBPRGKRZSA-N 1 3 332.452 0.851 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000976088757 743539759 /nfs/dbraw/zinc/53/97/59/743539759.db2.gz NOLUGKUQYHSHKI-DZKIICNBSA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000976088757 743539766 /nfs/dbraw/zinc/53/97/66/743539766.db2.gz NOLUGKUQYHSHKI-DZKIICNBSA-N 1 3 345.447 0.353 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001020586020 751844146 /nfs/dbraw/zinc/84/41/46/751844146.db2.gz CHKHEQOGLGCWOE-JKQORVJESA-N 1 3 348.491 0.861 20 0 ECADHO CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000997613504 743710271 /nfs/dbraw/zinc/71/02/71/743710271.db2.gz NZCYKPZZZUGPOI-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020590062 751854354 /nfs/dbraw/zinc/85/43/54/751854354.db2.gz LHPSSMXENVAMNL-HPTBWKMGSA-N 1 3 340.443 0.324 20 0 ECADHO Cn1cc(CC[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)cn1 ZINC001020591568 751858257 /nfs/dbraw/zinc/85/82/57/751858257.db2.gz RKPVJTYCAIVUTP-WKILWMFISA-N 1 3 333.480 0.931 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000998052003 743949026 /nfs/dbraw/zinc/94/90/26/743949026.db2.gz MCVKSRYEUPWUOK-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000998052003 743949028 /nfs/dbraw/zinc/94/90/28/743949028.db2.gz MCVKSRYEUPWUOK-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000998052007 743949275 /nfs/dbraw/zinc/94/92/75/743949275.db2.gz MCVKSRYEUPWUOK-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000998052007 743949278 /nfs/dbraw/zinc/94/92/78/743949278.db2.gz MCVKSRYEUPWUOK-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO COc1coc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cc1=O ZINC000998734689 744306412 /nfs/dbraw/zinc/30/64/12/744306412.db2.gz XTASUIZFHULZGG-ZFWWWQNUSA-N 1 3 349.431 0.823 20 0 ECADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC(NCc2cnnn2C)C1 ZINC000998780379 744333301 /nfs/dbraw/zinc/33/33/01/744333301.db2.gz NWIQMXNMGPEULK-ZBCRRDGASA-N 1 3 332.452 0.236 20 0 ECADHO O=C(CN[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCCC1 ZINC000999168165 744545624 /nfs/dbraw/zinc/54/56/24/744545624.db2.gz FCFQDPGZXXVFTJ-SJORKVTESA-N 1 3 348.491 0.531 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC000999431247 744694868 /nfs/dbraw/zinc/69/48/68/744694868.db2.gz BYPXUGAFXFKYIE-CABCVRRESA-N 1 3 339.484 0.178 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)CC[N@@H+]1C ZINC000977195998 744747711 /nfs/dbraw/zinc/74/77/11/744747711.db2.gz KOHGTZNPCRKPHC-PTENTFFRSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)CC[N@H+]1C ZINC000977195998 744747713 /nfs/dbraw/zinc/74/77/13/744747713.db2.gz KOHGTZNPCRKPHC-PTENTFFRSA-N 1 3 348.491 0.384 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC000999834121 744929150 /nfs/dbraw/zinc/92/91/50/744929150.db2.gz RWVBWTJJMFBZEA-SLTAFYQDSA-N 1 3 332.452 0.440 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)C1=O ZINC000999834837 744929999 /nfs/dbraw/zinc/92/99/99/744929999.db2.gz XHTDKPZSNJJIDW-UYSNPLJNSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000999867199 744966061 /nfs/dbraw/zinc/96/60/61/744966061.db2.gz AQHLMHGMNMNTCA-GDBMZVCRSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000999867199 744966063 /nfs/dbraw/zinc/96/60/63/744966063.db2.gz AQHLMHGMNMNTCA-GDBMZVCRSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nccn3C)C2)C1 ZINC000999998575 745159393 /nfs/dbraw/zinc/15/93/93/745159393.db2.gz MICFFRWFRVVNRK-JKSUJKDBSA-N 1 3 349.479 0.610 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000988387330 751977200 /nfs/dbraw/zinc/97/72/00/751977200.db2.gz GSVPSCBQEHTIKR-UONOGXRCSA-N 1 3 333.436 0.211 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000988387330 751977204 /nfs/dbraw/zinc/97/72/04/751977204.db2.gz GSVPSCBQEHTIKR-UONOGXRCSA-N 1 3 333.436 0.211 20 0 ECADHO CCn1nncc1CN[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001000192733 745328292 /nfs/dbraw/zinc/32/82/92/745328292.db2.gz NEOYWTMUCZJDCE-CABCVRRESA-N 1 3 334.468 0.720 20 0 ECADHO CCn1nncc1CN[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000192733 745328298 /nfs/dbraw/zinc/32/82/98/745328298.db2.gz NEOYWTMUCZJDCE-CABCVRRESA-N 1 3 334.468 0.720 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536136 745352494 /nfs/dbraw/zinc/35/24/94/745352494.db2.gz SAEKNAWCTKSLJJ-KSSFIOAISA-N 1 3 347.463 0.697 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC000977817566 745536017 /nfs/dbraw/zinc/53/60/17/745536017.db2.gz PCYJSDXMTXMQNT-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC000977817566 745536019 /nfs/dbraw/zinc/53/60/19/745536019.db2.gz PCYJSDXMTXMQNT-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO O=C(CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCCCC1 ZINC001000711626 745715419 /nfs/dbraw/zinc/71/54/19/745715419.db2.gz PCOYJBODPUPPDN-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]2CN(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000978073265 745881032 /nfs/dbraw/zinc/88/10/32/745881032.db2.gz VROJNESDDMDNFW-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000978231795 746064109 /nfs/dbraw/zinc/06/41/09/746064109.db2.gz IBGHWGLLPZCKQO-DZKIICNBSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000978231795 746064114 /nfs/dbraw/zinc/06/41/14/746064114.db2.gz IBGHWGLLPZCKQO-DZKIICNBSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001001152998 746119049 /nfs/dbraw/zinc/11/90/49/746119049.db2.gz VETYIDLNVKDNRG-NVXWUHKLSA-N 1 3 331.464 0.829 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001001152998 746119051 /nfs/dbraw/zinc/11/90/51/746119051.db2.gz VETYIDLNVKDNRG-NVXWUHKLSA-N 1 3 331.464 0.829 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCn3cncn3)C2)CC1 ZINC001027628446 746367985 /nfs/dbraw/zinc/36/79/85/746367985.db2.gz BLGFXOJVZBHUCR-QGZVFWFLSA-N 1 3 348.495 0.933 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCn3cncn3)C2)CC1 ZINC001027628446 746367986 /nfs/dbraw/zinc/36/79/86/746367986.db2.gz BLGFXOJVZBHUCR-QGZVFWFLSA-N 1 3 348.495 0.933 20 0 ECADHO C[NH+](C)CC1(C(=O)N2CC[C@H](n3cc(CNCC4CC4)nn3)C2)CC1 ZINC001098706102 746404286 /nfs/dbraw/zinc/40/42/86/746404286.db2.gz RGUHUVYJYXKAFJ-INIZCTEOSA-N 1 3 346.479 0.893 20 0 ECADHO CCn1nncc1CNCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029993 746515132 /nfs/dbraw/zinc/51/51/32/746515132.db2.gz LGYPFWLTLYVTIM-GOEBONIOSA-N 1 3 334.468 0.911 20 0 ECADHO CCn1nncc1CNCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029993 746515135 /nfs/dbraw/zinc/51/51/35/746515135.db2.gz LGYPFWLTLYVTIM-GOEBONIOSA-N 1 3 334.468 0.911 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001002081920 746957841 /nfs/dbraw/zinc/95/78/41/746957841.db2.gz AQWMZCVNZMZUSP-RHSMWYFYSA-N 1 3 348.491 0.245 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)ncn1 ZINC000984806885 746963340 /nfs/dbraw/zinc/96/33/40/746963340.db2.gz BSWWQLXZEZMVJT-MMTVNHQJSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)ncn1 ZINC000984806885 746963343 /nfs/dbraw/zinc/96/33/43/746963343.db2.gz BSWWQLXZEZMVJT-MMTVNHQJSA-N 1 3 331.464 0.967 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC000984802883 746973665 /nfs/dbraw/zinc/97/36/65/746973665.db2.gz DZHLXISEVOUJKF-FPCVCCKLSA-N 1 3 346.479 0.734 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978981599 746991806 /nfs/dbraw/zinc/99/18/06/746991806.db2.gz FTSRHIHGTRCKJQ-QCEMKRCNSA-N 1 3 346.475 0.043 20 0 ECADHO COc1cncc(CNC[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000985039841 747293174 /nfs/dbraw/zinc/29/31/74/747293174.db2.gz IRHIVCINDOSULL-HDJSIYSDSA-N 1 3 345.447 0.565 20 0 ECADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000979324037 747611869 /nfs/dbraw/zinc/61/18/69/747611869.db2.gz ZWQWQIUFIPJOHQ-PBHICJAKSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@@H](NCc1cnn(C)c1)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC000979372403 747698811 /nfs/dbraw/zinc/69/88/11/747698811.db2.gz LZNSSIMPJPUAKB-RHSMWYFYSA-N 1 3 349.479 0.467 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCCN(C)C2=O)CC1 ZINC000985327100 747710365 /nfs/dbraw/zinc/71/03/65/747710365.db2.gz CETLONAGWMNVQR-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCCN(C)C2=O)CC1 ZINC000985327100 747710371 /nfs/dbraw/zinc/71/03/71/747710371.db2.gz CETLONAGWMNVQR-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](NCc1ccnn1C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979449154 747857309 /nfs/dbraw/zinc/85/73/09/747857309.db2.gz MINICNBBABTSMZ-GOEBONIOSA-N 1 3 347.463 0.221 20 0 ECADHO CN(C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)C(=O)C12CC[NH+](CC1)C2 ZINC001003060570 748128136 /nfs/dbraw/zinc/12/81/36/748128136.db2.gz DNQXEZNJVNCEHR-OAHLLOKOSA-N 1 3 345.447 0.497 20 0 ECADHO CN(CC(N)=O)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000985559331 748513614 /nfs/dbraw/zinc/51/36/14/748513614.db2.gz RYHDDEQKIQATHA-UHFFFAOYSA-N 1 3 346.475 0.812 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001003482475 748601277 /nfs/dbraw/zinc/60/12/77/748601277.db2.gz ICIAGIHSCREGKV-MRXNPFEDSA-N 1 3 348.495 0.981 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001003482475 748601282 /nfs/dbraw/zinc/60/12/82/748601282.db2.gz ICIAGIHSCREGKV-MRXNPFEDSA-N 1 3 348.495 0.981 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001003631091 748744403 /nfs/dbraw/zinc/74/44/03/748744403.db2.gz RCXPFACPSDUOAJ-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001003631091 748744404 /nfs/dbraw/zinc/74/44/04/748744404.db2.gz RCXPFACPSDUOAJ-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000985646764 748790913 /nfs/dbraw/zinc/79/09/13/748790913.db2.gz KZCOEFZLYCONOA-GOEBONIOSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000985646764 748790915 /nfs/dbraw/zinc/79/09/15/748790915.db2.gz KZCOEFZLYCONOA-GOEBONIOSA-N 1 3 336.480 0.624 20 0 ECADHO NC(=O)CN[C@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352769 748877895 /nfs/dbraw/zinc/87/78/95/748877895.db2.gz IXHXVHDQURAISZ-RDJZCZTQSA-N 1 3 336.480 0.707 20 0 ECADHO Cn1cc(CCN2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001003972489 749094139 /nfs/dbraw/zinc/09/41/39/749094139.db2.gz YMBVVRVOMQLFLR-HNNXBMFYSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1cc(CCN2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001003972489 749094142 /nfs/dbraw/zinc/09/41/42/749094142.db2.gz YMBVVRVOMQLFLR-HNNXBMFYSA-N 1 3 333.480 0.885 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001051342178 761920490 /nfs/dbraw/zinc/92/04/90/761920490.db2.gz QJQCLPCYHGDGLY-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059676956 749372889 /nfs/dbraw/zinc/37/28/89/749372889.db2.gz POWCDJUEMSHXKO-CVEARBPZSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001059676956 749372897 /nfs/dbraw/zinc/37/28/97/749372897.db2.gz POWCDJUEMSHXKO-CVEARBPZSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980699900 749982304 /nfs/dbraw/zinc/98/23/04/749982304.db2.gz GRKNTMAWPJTKOH-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO CN1CCC[C@H]1C(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001013977206 762006249 /nfs/dbraw/zinc/00/62/49/762006249.db2.gz AYOLWHYPHDVPHV-CKTFTNLWSA-N 1 3 348.491 0.718 20 0 ECADHO CN1CCC[C@H]1C(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001013977206 762006261 /nfs/dbraw/zinc/00/62/61/762006261.db2.gz AYOLWHYPHDVPHV-CKTFTNLWSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@H](NCc1cnnn1C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004976899 750091542 /nfs/dbraw/zinc/09/15/42/750091542.db2.gz HBFRMWOLGMZTJM-GOEBONIOSA-N 1 3 346.479 0.770 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)n1 ZINC000980798493 750178523 /nfs/dbraw/zinc/17/85/23/750178523.db2.gz BOYPDPOYJOWGGJ-HUUCEWRRSA-N 1 3 347.463 0.908 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)nn1 ZINC000980800244 750181056 /nfs/dbraw/zinc/18/10/56/750181056.db2.gz OGNHICFIAWOUIC-LSDHHAIUSA-N 1 3 347.463 0.908 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)n1 ZINC000980799809 750192438 /nfs/dbraw/zinc/19/24/38/750192438.db2.gz MAFKVSYUKQDJMH-GJZGRUSLSA-N 1 3 347.463 0.908 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1C[C@@](C[NH2+]CC(N)=O)(c2ccccc2)C1 ZINC001105446409 750458099 /nfs/dbraw/zinc/45/80/99/750458099.db2.gz KYJJBOVHJKIQCA-UWUNEBHHSA-N 1 3 346.475 0.620 20 0 ECADHO C[C@@H]1[C@@H](NCc2cnnn2C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987126524 750512274 /nfs/dbraw/zinc/51/22/74/750512274.db2.gz WALZJDAESJXFQI-CJNGLKHVSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@H]1[C@H](NCc2ccnn2C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987281419 750693185 /nfs/dbraw/zinc/69/31/85/750693185.db2.gz RDIBKVPSOUSZTL-WMLDXEAASA-N 1 3 349.479 0.610 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000981485128 750737315 /nfs/dbraw/zinc/73/73/15/750737315.db2.gz HDMRMAWEMDGUGR-KBPBESRZSA-N 1 3 348.451 0.303 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001075887448 750741968 /nfs/dbraw/zinc/74/19/68/750741968.db2.gz NOXHIXSVBCHYQB-CWRNSKLLSA-N 1 3 334.464 0.282 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001075887448 750741970 /nfs/dbraw/zinc/74/19/70/750741970.db2.gz NOXHIXSVBCHYQB-CWRNSKLLSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@H]1[C@H](NCC(=O)N2CCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987358669 750753244 /nfs/dbraw/zinc/75/32/44/750753244.db2.gz IXYUOLHDWHYOHH-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(N)=O)C2)c1 ZINC000981537619 750787060 /nfs/dbraw/zinc/78/70/60/750787060.db2.gz HYYDCARRYZRPGZ-HOTGVXAUSA-N 1 3 332.448 0.864 20 0 ECADHO CO[C@@H](C)CN1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646449 750929842 /nfs/dbraw/zinc/92/98/42/750929842.db2.gz KNVWNRPBSNMNLT-VUGNNNGISA-N 1 3 337.464 0.419 20 0 ECADHO CO[C@@H](C)CN1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646449 750929846 /nfs/dbraw/zinc/92/98/46/750929846.db2.gz KNVWNRPBSNMNLT-VUGNNNGISA-N 1 3 337.464 0.419 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CCn1cccn1)C2 ZINC000981666674 750936227 /nfs/dbraw/zinc/93/62/27/750936227.db2.gz YMGYOOLZMWBMHP-MRXNPFEDSA-N 1 3 331.464 0.902 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCn1cccn1)C2 ZINC000981666674 750936228 /nfs/dbraw/zinc/93/62/28/750936228.db2.gz YMGYOOLZMWBMHP-MRXNPFEDSA-N 1 3 331.464 0.902 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001006128619 751050571 /nfs/dbraw/zinc/05/05/71/751050571.db2.gz RQJITQDNZYFJOS-UONOGXRCSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001006128619 751050578 /nfs/dbraw/zinc/05/05/78/751050578.db2.gz RQJITQDNZYFJOS-UONOGXRCSA-N 1 3 336.480 0.386 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001020980452 752396287 /nfs/dbraw/zinc/39/62/87/752396287.db2.gz IUMTZYOUSHPEFL-HDJSIYSDSA-N 1 3 329.404 0.396 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001021094605 752534489 /nfs/dbraw/zinc/53/44/89/752534489.db2.gz VDRRHWSICQLDHK-WKILWMFISA-N 1 3 342.447 0.890 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001021096210 752536366 /nfs/dbraw/zinc/53/63/66/752536366.db2.gz JIWSLSYEARRHDT-FPCVCCKLSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)nn1 ZINC001098645805 752814520 /nfs/dbraw/zinc/81/45/20/752814520.db2.gz VVYRTXOEFKQZCR-JKSUJKDBSA-N 1 3 334.468 0.891 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000982544009 752843878 /nfs/dbraw/zinc/84/38/78/752843878.db2.gz AXNQBXNUTQTYBR-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988956281 753076550 /nfs/dbraw/zinc/07/65/50/753076550.db2.gz PLWYVGGMPOIHNQ-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCN1CCCO ZINC001088620294 753148663 /nfs/dbraw/zinc/14/86/63/753148663.db2.gz CTHLIONKQQIFPZ-PVAVHDDUSA-N 1 3 339.480 0.591 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCN1CCCO ZINC001088620294 753148665 /nfs/dbraw/zinc/14/86/65/753148665.db2.gz CTHLIONKQQIFPZ-PVAVHDDUSA-N 1 3 339.480 0.591 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@@H+]1CCCO ZINC001088620294 753148670 /nfs/dbraw/zinc/14/86/70/753148670.db2.gz CTHLIONKQQIFPZ-PVAVHDDUSA-N 1 3 339.480 0.591 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@H+]1CCCO ZINC001088620294 753148674 /nfs/dbraw/zinc/14/86/74/753148674.db2.gz CTHLIONKQQIFPZ-PVAVHDDUSA-N 1 3 339.480 0.591 20 0 ECADHO CCCNCc1cn([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098680132 753200853 /nfs/dbraw/zinc/20/08/53/753200853.db2.gz ANIPYIZEUMBREZ-HZPDHXFCSA-N 1 3 334.468 0.891 20 0 ECADHO CCN(CC)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051509160 762245624 /nfs/dbraw/zinc/24/56/24/762245624.db2.gz INYFUBDSOQHWDC-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605343 754187008 /nfs/dbraw/zinc/18/70/08/754187008.db2.gz KTPSCABMITUUCD-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CC[C@@H](N2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028657243 754328977 /nfs/dbraw/zinc/32/89/77/754328977.db2.gz XPWCFQAWKYDGQW-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001168335400 754629083 /nfs/dbraw/zinc/62/90/83/754629083.db2.gz HOUKLUHWDSRQCJ-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO Cn1nccc1CCN1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001009200818 754644686 /nfs/dbraw/zinc/64/46/86/754644686.db2.gz HDLMPKSMGULNFD-HZPDHXFCSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CCN1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009200818 754644690 /nfs/dbraw/zinc/64/46/90/754644690.db2.gz HDLMPKSMGULNFD-HZPDHXFCSA-N 1 3 333.480 0.885 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC000990027549 754650800 /nfs/dbraw/zinc/65/08/00/754650800.db2.gz VFKMYTARZOYIKJ-RKVPGOIHSA-N 1 3 334.464 0.426 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC000990027549 754650803 /nfs/dbraw/zinc/65/08/03/754650803.db2.gz VFKMYTARZOYIKJ-RKVPGOIHSA-N 1 3 334.464 0.426 20 0 ECADHO CN(C(=O)CN1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12)C1CC1 ZINC000990017080 754653247 /nfs/dbraw/zinc/65/32/47/754653247.db2.gz QEFVKBIICBJNEZ-JTDSTZFVSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C(=O)CN1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12)C1CC1 ZINC000990017080 754653250 /nfs/dbraw/zinc/65/32/50/754653250.db2.gz QEFVKBIICBJNEZ-JTDSTZFVSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12)C1CC1 ZINC000990017080 754653252 /nfs/dbraw/zinc/65/32/52/754653252.db2.gz QEFVKBIICBJNEZ-JTDSTZFVSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12)C1CC1 ZINC000990017080 754653254 /nfs/dbraw/zinc/65/32/54/754653254.db2.gz QEFVKBIICBJNEZ-JTDSTZFVSA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCN2CCNC2=O)CC1 ZINC001168344986 754762677 /nfs/dbraw/zinc/76/26/77/754762677.db2.gz JBHVYAYJWUMPAX-UHFFFAOYSA-N 1 3 339.484 0.228 20 0 ECADHO COc1coc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1=O ZINC000990277354 754932827 /nfs/dbraw/zinc/93/28/27/754932827.db2.gz NBAWJQUJXXJQLQ-OAHLLOKOSA-N 1 3 349.431 0.823 20 0 ECADHO COc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)n1 ZINC000990278400 754933979 /nfs/dbraw/zinc/93/39/79/754933979.db2.gz RKSZCALDDVPNQB-INIZCTEOSA-N 1 3 347.463 0.968 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC000990278950 754934088 /nfs/dbraw/zinc/93/40/88/754934088.db2.gz SUEWEJVJJWAQBO-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001028764864 755027891 /nfs/dbraw/zinc/02/78/91/755027891.db2.gz MXKLLNXSCFOATE-ZDUSSCGKSA-N 1 3 348.447 0.672 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001028764864 755027893 /nfs/dbraw/zinc/02/78/93/755027893.db2.gz MXKLLNXSCFOATE-ZDUSSCGKSA-N 1 3 348.447 0.672 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901492 755438834 /nfs/dbraw/zinc/43/88/34/755438834.db2.gz CTSPPJUUWSAUTP-HOCLYGCPSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2cnn(C)c2)C1 ZINC001051612403 762468257 /nfs/dbraw/zinc/46/82/57/762468257.db2.gz RKHOSZTXXOYOGS-IRXDYDNUSA-N 1 3 349.479 0.610 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2cnn(C)c2)C1 ZINC001051612403 762468260 /nfs/dbraw/zinc/46/82/60/762468260.db2.gz RKHOSZTXXOYOGS-IRXDYDNUSA-N 1 3 349.479 0.610 20 0 ECADHO CC(C)(C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)N1CCCCC1 ZINC001048820112 757101479 /nfs/dbraw/zinc/10/14/79/757101479.db2.gz CMNXWCGKLLRMHP-OWCLPIDISA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)(C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)N1CCCCC1 ZINC001048820112 757101483 /nfs/dbraw/zinc/10/14/83/757101483.db2.gz CMNXWCGKLLRMHP-OWCLPIDISA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001048830891 757132697 /nfs/dbraw/zinc/13/26/97/757132697.db2.gz ZTHBMMNLNKTMNC-ZVDSWSACSA-N 1 3 336.480 0.371 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001048830891 757132702 /nfs/dbraw/zinc/13/27/02/757132702.db2.gz ZTHBMMNLNKTMNC-ZVDSWSACSA-N 1 3 336.480 0.371 20 0 ECADHO CN1CC[C@@H](N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)C1=O ZINC000996222679 757139108 /nfs/dbraw/zinc/13/91/08/757139108.db2.gz ORECWCCYCTZJMK-HUUCEWRRSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001048876293 757260539 /nfs/dbraw/zinc/26/05/39/757260539.db2.gz UQHIZJHMXOLFOX-FZKCQIBNSA-N 1 3 336.480 0.241 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001048876293 757260544 /nfs/dbraw/zinc/26/05/44/757260544.db2.gz UQHIZJHMXOLFOX-FZKCQIBNSA-N 1 3 336.480 0.241 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)C2(N(C)C)CCC2)CC1)[NH+](C)C ZINC001011262436 757324083 /nfs/dbraw/zinc/32/40/83/757324083.db2.gz HCMVFOQTTDKPBA-OAHLLOKOSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001011264540 757334388 /nfs/dbraw/zinc/33/43/88/757334388.db2.gz IGPRGNIFUMMLTH-WMLDXEAASA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001011264540 757334393 /nfs/dbraw/zinc/33/43/93/757334393.db2.gz IGPRGNIFUMMLTH-WMLDXEAASA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC001011282134 757401201 /nfs/dbraw/zinc/40/12/01/757401201.db2.gz QJZQMSBYUXRUDA-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943969 757479474 /nfs/dbraw/zinc/47/94/74/757479474.db2.gz LINVSGKYFBKRMJ-ZXAVKRETSA-N 1 3 349.475 0.275 20 0 ECADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943969 757479479 /nfs/dbraw/zinc/47/94/79/757479479.db2.gz LINVSGKYFBKRMJ-ZXAVKRETSA-N 1 3 349.475 0.275 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000996440430 757606007 /nfs/dbraw/zinc/60/60/07/757606007.db2.gz HWDUZNUSAQQNHE-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000996440430 757606011 /nfs/dbraw/zinc/60/60/11/757606011.db2.gz HWDUZNUSAQQNHE-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001049056971 757802279 /nfs/dbraw/zinc/80/22/79/757802279.db2.gz FRQXADARIXJYHZ-BHYGNILZSA-N 1 3 331.464 0.795 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001049056971 757802288 /nfs/dbraw/zinc/80/22/88/757802288.db2.gz FRQXADARIXJYHZ-BHYGNILZSA-N 1 3 331.464 0.795 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC001021701814 757820718 /nfs/dbraw/zinc/82/07/18/757820718.db2.gz FIFDWZRNVGTFQZ-ARFHVFGLSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC001021701814 757820732 /nfs/dbraw/zinc/82/07/32/757820732.db2.gz FIFDWZRNVGTFQZ-ARFHVFGLSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049059251 757823801 /nfs/dbraw/zinc/82/38/01/757823801.db2.gz OOMCQINFVGOFFW-WCXIOVBPSA-N 1 3 348.491 0.339 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049059251 757823807 /nfs/dbraw/zinc/82/38/07/757823807.db2.gz OOMCQINFVGOFFW-WCXIOVBPSA-N 1 3 348.491 0.339 20 0 ECADHO C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@H]2C1 ZINC001049059271 757824528 /nfs/dbraw/zinc/82/45/28/757824528.db2.gz PGMNKUCMCLAJRP-BSXFFOKHSA-N 1 3 341.471 0.970 20 0 ECADHO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@H]2C1 ZINC001049059271 757824533 /nfs/dbraw/zinc/82/45/33/757824533.db2.gz PGMNKUCMCLAJRP-BSXFFOKHSA-N 1 3 341.471 0.970 20 0 ECADHO Cn1cncc1CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996519140 757928839 /nfs/dbraw/zinc/92/88/39/757928839.db2.gz JAEYUPFILZROAV-OAHLLOKOSA-N 1 3 331.464 0.843 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+]C[C@H]3CCOC3)C2)CCC1 ZINC001051651555 762591313 /nfs/dbraw/zinc/59/13/13/762591313.db2.gz LAPIJWHHGQPHBD-CABCVRRESA-N 1 3 325.453 0.324 20 0 ECADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)CC1 ZINC001049132656 758074624 /nfs/dbraw/zinc/07/46/24/758074624.db2.gz VTNAGLUMULBDKR-IXDOHACOSA-N 1 3 348.491 0.387 20 0 ECADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)CC1 ZINC001049132656 758074633 /nfs/dbraw/zinc/07/46/33/758074633.db2.gz VTNAGLUMULBDKR-IXDOHACOSA-N 1 3 348.491 0.387 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CCO[C@@H](CNCc2ccns2)C1)C1CC1 ZINC001051654677 762604055 /nfs/dbraw/zinc/60/40/55/762604055.db2.gz QUGATQQZLVKTBG-DZGCQCFKSA-N 1 3 338.477 0.800 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049173825 758219276 /nfs/dbraw/zinc/21/92/76/758219276.db2.gz IQIXNPIRSYIEHQ-QXSJWSMHSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049173825 758219284 /nfs/dbraw/zinc/21/92/84/758219284.db2.gz IQIXNPIRSYIEHQ-QXSJWSMHSA-N 1 3 348.491 0.386 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC001011657257 758222913 /nfs/dbraw/zinc/22/29/13/758222913.db2.gz RDTBGKBSRHBBOS-OAHLLOKOSA-N 1 3 336.480 0.339 20 0 ECADHO Cn1nccc1C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000996620472 758260780 /nfs/dbraw/zinc/26/07/80/758260780.db2.gz ONENRBYHWJCJBZ-IAGOWNOFSA-N 1 3 347.463 0.364 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001022105188 758283494 /nfs/dbraw/zinc/28/34/94/758283494.db2.gz SYAKOUNORHKODF-REBRKWNGSA-N 1 3 333.436 0.562 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001022105188 758283500 /nfs/dbraw/zinc/28/35/00/758283500.db2.gz SYAKOUNORHKODF-REBRKWNGSA-N 1 3 333.436 0.562 20 0 ECADHO Cc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CN4CCC[C@H]4CO3)C2)c1 ZINC001022119638 758301651 /nfs/dbraw/zinc/30/16/51/758301651.db2.gz GBVJTSOYHDGYNI-MHORFTMASA-N 1 3 344.459 0.990 20 0 ECADHO Cc1ncccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001022120098 758303685 /nfs/dbraw/zinc/30/36/85/758303685.db2.gz KKDONAHJHFDVRD-XDNAFOTISA-N 1 3 344.459 0.990 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001022201383 758412855 /nfs/dbraw/zinc/41/28/55/758412855.db2.gz HUGHQLDZDAGPRN-VBQJREDUSA-N 1 3 346.479 0.959 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001022201383 758412863 /nfs/dbraw/zinc/41/28/63/758412863.db2.gz HUGHQLDZDAGPRN-VBQJREDUSA-N 1 3 346.479 0.959 20 0 ECADHO CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1N[C@H]1CCNC1=O ZINC000996675536 758442831 /nfs/dbraw/zinc/44/28/31/758442831.db2.gz ZOEZKJKTOAKQKU-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO COc1cncc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)n1 ZINC000996678382 758450383 /nfs/dbraw/zinc/45/03/83/758450383.db2.gz NDWIZYDOZCXYMU-QGZVFWFLSA-N 1 3 347.463 0.906 20 0 ECADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1=O ZINC000996681259 758459831 /nfs/dbraw/zinc/45/98/31/758459831.db2.gz YSJDAAVPZFQMLV-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@@H](CNCc2cnn(C)c2)C1)[NH+](C)C ZINC001051666902 762637981 /nfs/dbraw/zinc/63/79/81/762637981.db2.gz IBBPOVXOEFBQTI-HOTGVXAUSA-N 1 3 337.468 0.323 20 0 ECADHO Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1C[C@@H](NCc3ccn(C)n3)C1)C2 ZINC001022322545 758565101 /nfs/dbraw/zinc/56/51/01/758565101.db2.gz RFROZTNFTFZGQW-AEGPPILISA-N 1 3 342.447 0.994 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccnc(OC)n2)CC1)N(C)C ZINC000996712691 758566810 /nfs/dbraw/zinc/56/68/10/758566810.db2.gz RFUNYXCRWMAKAA-OAHLLOKOSA-N 1 3 335.452 0.906 20 0 ECADHO COc1nccc(CN[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001022711991 759025529 /nfs/dbraw/zinc/02/55/29/759025529.db2.gz IAAGHYXXSGLJNX-YUELXQCFSA-N 1 3 333.436 0.706 20 0 ECADHO COc1nccc(CN[C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001022711991 759025541 /nfs/dbraw/zinc/02/55/41/759025541.db2.gz IAAGHYXXSGLJNX-YUELXQCFSA-N 1 3 333.436 0.706 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001022712008 759026588 /nfs/dbraw/zinc/02/65/88/759026588.db2.gz IDVQKKPSJHAHOM-QXSJWSMHSA-N 1 3 336.480 0.624 20 0 ECADHO Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)cc1=O ZINC001022717029 759035023 /nfs/dbraw/zinc/03/50/23/759035023.db2.gz NFDOXQZHRGVSJM-IYBDPMFKSA-N 1 3 346.475 0.854 20 0 ECADHO COc1cncc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001048061279 759902214 /nfs/dbraw/zinc/90/22/14/759902214.db2.gz AMAQJLWWXQKBPP-GJZGRUSLSA-N 1 3 347.463 0.908 20 0 ECADHO COc1cncc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001048061281 759902498 /nfs/dbraw/zinc/90/24/98/759902498.db2.gz AMAQJLWWXQKBPP-LSDHHAIUSA-N 1 3 347.463 0.908 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001054296948 767905642 /nfs/dbraw/zinc/90/56/42/767905642.db2.gz RLKPVPZJLCQSHW-HYVNUMGLSA-N 1 3 348.491 0.815 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127707144 760040285 /nfs/dbraw/zinc/04/02/85/760040285.db2.gz VTQYJMGORVCBIP-MELADBBJSA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127707144 760040293 /nfs/dbraw/zinc/04/02/93/760040293.db2.gz VTQYJMGORVCBIP-MELADBBJSA-N 1 3 326.485 0.726 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnnn3C)CC2)C1 ZINC001050367214 760188057 /nfs/dbraw/zinc/18/80/57/760188057.db2.gz ILUAIPLAJFPLID-BZUAXINKSA-N 1 3 348.495 0.922 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2=O)CC1 ZINC001050368109 760191386 /nfs/dbraw/zinc/19/13/86/760191386.db2.gz SAMXDABGPMGRJR-FPCVCCKLSA-N 1 3 336.480 0.624 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000945399910 760223179 /nfs/dbraw/zinc/22/31/79/760223179.db2.gz USQMUKXPXMYXBK-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000945399910 760223180 /nfs/dbraw/zinc/22/31/80/760223180.db2.gz USQMUKXPXMYXBK-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000911163407 760224429 /nfs/dbraw/zinc/22/44/29/760224429.db2.gz YAJFMMICJOSYDU-IIDMSEBBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CNCc1nncn1C ZINC001048337962 760331549 /nfs/dbraw/zinc/33/15/49/760331549.db2.gz JSZVXFPAGPRTLP-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001048397316 760437321 /nfs/dbraw/zinc/43/73/21/760437321.db2.gz KGGWWBLPBLMOTM-JSGCOSHPSA-N 1 3 330.436 0.878 20 0 ECADHO CC(C)(C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2)[NH+]1CCCC1 ZINC001050617092 760578355 /nfs/dbraw/zinc/57/83/55/760578355.db2.gz HYPYWHNVKCOPGQ-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN([C@@H]1CCN(C)C1=O)CC2 ZINC001050662683 760637969 /nfs/dbraw/zinc/63/79/69/760637969.db2.gz MDKYWKNCQYEIDN-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN([C@@H]1CCN(C)C1=O)CC2 ZINC001050662683 760637976 /nfs/dbraw/zinc/63/79/76/760637976.db2.gz MDKYWKNCQYEIDN-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663417 760640381 /nfs/dbraw/zinc/64/03/81/760640381.db2.gz UGSCXYWCZKLKQD-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663417 760640385 /nfs/dbraw/zinc/64/03/85/760640385.db2.gz UGSCXYWCZKLKQD-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)C1 ZINC001050754244 760782175 /nfs/dbraw/zinc/78/21/75/760782175.db2.gz SIHCBMQXYIBCQY-GJZGRUSLSA-N 1 3 334.464 0.141 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)C1 ZINC001050754244 760782178 /nfs/dbraw/zinc/78/21/78/760782178.db2.gz SIHCBMQXYIBCQY-GJZGRUSLSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000991439688 760961238 /nfs/dbraw/zinc/96/12/38/760961238.db2.gz FKSUVKGIRUTPNE-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082258 761019913 /nfs/dbraw/zinc/01/99/13/761019913.db2.gz NRQFXJSBCNWMFD-LSDHHAIUSA-N 1 3 326.485 0.822 20 0 ECADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082258 761019921 /nfs/dbraw/zinc/01/99/21/761019921.db2.gz NRQFXJSBCNWMFD-LSDHHAIUSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000991477000 761129510 /nfs/dbraw/zinc/12/95/10/761129510.db2.gz FBQGAUFIUPPXGB-MRXNPFEDSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001050960307 761226395 /nfs/dbraw/zinc/22/63/95/761226395.db2.gz QOFYZKYKYRJJJO-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CCO1 ZINC001051825803 763058216 /nfs/dbraw/zinc/05/82/16/763058216.db2.gz WEKFTTFEBZKPOI-INIZCTEOSA-N 1 3 349.479 0.469 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000940510446 763361966 /nfs/dbraw/zinc/36/19/66/763361966.db2.gz SKLDIWBWKNAYHM-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000940510446 763361974 /nfs/dbraw/zinc/36/19/74/763361974.db2.gz SKLDIWBWKNAYHM-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3C)C2)n1 ZINC001014964292 763560273 /nfs/dbraw/zinc/56/02/73/763560273.db2.gz QOPLDVLPZFBGJY-LSDHHAIUSA-N 1 3 335.452 0.985 20 0 ECADHO Cc1noc(CCC[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3C)C2)n1 ZINC001014964292 763560281 /nfs/dbraw/zinc/56/02/81/763560281.db2.gz QOPLDVLPZFBGJY-LSDHHAIUSA-N 1 3 335.452 0.985 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)CC[N@@H+]1C ZINC001031925806 763603780 /nfs/dbraw/zinc/60/37/80/763603780.db2.gz OHZVMQUFWUJLNB-XIRDDKMYSA-N 1 3 349.479 0.022 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)CC[N@H+]1C ZINC001031925806 763603786 /nfs/dbraw/zinc/60/37/86/763603786.db2.gz OHZVMQUFWUJLNB-XIRDDKMYSA-N 1 3 349.479 0.022 20 0 ECADHO O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H](N2CCN(CCO)CC2)C1 ZINC001052052857 763718300 /nfs/dbraw/zinc/71/83/00/763718300.db2.gz YUARWCCGILAIIP-KRWDZBQOSA-N 1 3 343.431 0.159 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001106336384 768159645 /nfs/dbraw/zinc/15/96/45/768159645.db2.gz LLVGYMKNMIMRLR-HUUCEWRRSA-N 1 3 336.484 0.693 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000991853956 764050632 /nfs/dbraw/zinc/05/06/32/764050632.db2.gz SVQWVBBCWMHQEL-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000991853956 764050643 /nfs/dbraw/zinc/05/06/43/764050643.db2.gz SVQWVBBCWMHQEL-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CCS(=O)(=O)CCC[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127327320 768191166 /nfs/dbraw/zinc/19/11/66/768191166.db2.gz JMOZULABJZZJSR-UHFFFAOYSA-N 1 3 347.525 0.782 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001054737171 768210330 /nfs/dbraw/zinc/21/03/30/768210330.db2.gz LPXVMWCPSHZDJC-WMLDXEAASA-N 1 3 333.480 0.883 20 0 ECADHO CC1CCN(CC(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC000991891824 764411274 /nfs/dbraw/zinc/41/12/74/764411274.db2.gz WTFWVEUOBFEUHF-QGZVFWFLSA-N 1 3 348.491 0.387 20 0 ECADHO CC(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463321 764418809 /nfs/dbraw/zinc/41/88/09/764418809.db2.gz CORJVHXEQIIZPX-BFKWJSRZSA-N 1 3 337.464 0.009 20 0 ECADHO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463321 764418816 /nfs/dbraw/zinc/41/88/16/764418816.db2.gz CORJVHXEQIIZPX-BFKWJSRZSA-N 1 3 337.464 0.009 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001047539777 764633099 /nfs/dbraw/zinc/63/30/99/764633099.db2.gz LPIXADAXMSDPDD-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001052784616 765116970 /nfs/dbraw/zinc/11/69/70/765116970.db2.gz ZXOQCNUKMJFORI-JKSUJKDBSA-N 1 3 340.512 0.879 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(CCCN3CCCC3=O)C2)CC1 ZINC001015654888 765128969 /nfs/dbraw/zinc/12/89/69/765128969.db2.gz HMOLBPOZYQEQPO-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)C(=O)CN1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@H]12 ZINC000992117325 765543514 /nfs/dbraw/zinc/54/35/14/765543514.db2.gz IXTJFXQBDCIBJD-MPGHIAIKSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C(=O)CN1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@H]12 ZINC000992117325 765543515 /nfs/dbraw/zinc/54/35/15/765543515.db2.gz IXTJFXQBDCIBJD-MPGHIAIKSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001053290764 765918322 /nfs/dbraw/zinc/91/83/22/765918322.db2.gz VZIKNYFRDBNLMJ-HIFRSBDPSA-N 1 3 349.479 0.813 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCC(=O)N1CCCC1 ZINC001054854765 768341337 /nfs/dbraw/zinc/34/13/37/768341337.db2.gz XTGWETRIKHSEIJ-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001053502946 766247690 /nfs/dbraw/zinc/24/76/90/766247690.db2.gz FWVIMAXRGTYHOU-HUUCEWRRSA-N 1 3 349.479 0.895 20 0 ECADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001053502946 766247694 /nfs/dbraw/zinc/24/76/94/766247694.db2.gz FWVIMAXRGTYHOU-HUUCEWRRSA-N 1 3 349.479 0.895 20 0 ECADHO COCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741457 766829572 /nfs/dbraw/zinc/82/95/72/766829572.db2.gz XHEGWHUMKMQOAA-BHEGOAEISA-N 1 3 349.475 0.467 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN([C@@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001046065583 766847724 /nfs/dbraw/zinc/84/77/24/766847724.db2.gz BBHGKFPPRLUUHQ-QGZVFWFLSA-N 1 3 331.464 0.971 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001046065583 766847735 /nfs/dbraw/zinc/84/77/35/766847735.db2.gz BBHGKFPPRLUUHQ-QGZVFWFLSA-N 1 3 331.464 0.971 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046084708 766925978 /nfs/dbraw/zinc/92/59/78/766925978.db2.gz HEXONHXCBMFSKB-DLBZAZTESA-N 1 3 338.496 0.072 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046084708 766925980 /nfs/dbraw/zinc/92/59/80/766925980.db2.gz HEXONHXCBMFSKB-DLBZAZTESA-N 1 3 338.496 0.072 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001017037174 767491448 /nfs/dbraw/zinc/49/14/48/767491448.db2.gz NBCZCRFOUAXGHE-FHERZECASA-N 1 3 348.491 0.672 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001017104384 767591168 /nfs/dbraw/zinc/59/11/68/767591168.db2.gz BESVTSCWJZQVDF-AVVWSFFYSA-N 1 3 345.447 0.400 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1nnc2n1CCCC2 ZINC001106622635 768522567 /nfs/dbraw/zinc/52/25/67/768522567.db2.gz IKVLJDAWNJOTCW-HUUCEWRRSA-N 1 3 348.495 0.750 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666515 768579418 /nfs/dbraw/zinc/57/94/18/768579418.db2.gz NAIPAGDKTMEQGH-ARFHVFGLSA-N 1 3 338.496 0.539 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)N(C)C ZINC001106673599 768584542 /nfs/dbraw/zinc/58/45/42/768584542.db2.gz IEZWCYMUKMDRLK-KFWWJZLASA-N 1 3 339.484 0.036 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099250293 768735598 /nfs/dbraw/zinc/73/55/98/768735598.db2.gz FWWFHZAKXNHCNX-UPJWGTAASA-N 1 3 337.386 0.830 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099250293 768735600 /nfs/dbraw/zinc/73/56/00/768735600.db2.gz FWWFHZAKXNHCNX-UPJWGTAASA-N 1 3 337.386 0.830 20 0 ECADHO C[C@@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCCN1CCCO ZINC000993989961 769971373 /nfs/dbraw/zinc/97/13/73/769971373.db2.gz QANGWVIIUICFJT-GDBMZVCRSA-N 1 3 337.468 0.410 20 0 ECADHO CN(CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1)C1CCC1 ZINC001018972737 770437636 /nfs/dbraw/zinc/43/76/36/770437636.db2.gz MEVWKPJXSVAFSR-YOEHRIQHSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)CC[N@@H+]1C ZINC001099296285 770465681 /nfs/dbraw/zinc/46/56/81/770465681.db2.gz QWJUDGGYXRPHRC-WUHRBBMRSA-N 1 3 337.386 0.688 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)CC[N@H+]1C ZINC001099296285 770465688 /nfs/dbraw/zinc/46/56/88/770465688.db2.gz QWJUDGGYXRPHRC-WUHRBBMRSA-N 1 3 337.386 0.688 20 0 ECADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001019030342 770602711 /nfs/dbraw/zinc/60/27/11/770602711.db2.gz HRNBCFROZOOQFW-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCCCC2)C1 ZINC001019381053 771228419 /nfs/dbraw/zinc/22/84/19/771228419.db2.gz WWPPIWIGKPEJAW-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCCCC2)C1 ZINC001019381053 771228423 /nfs/dbraw/zinc/22/84/23/771228423.db2.gz WWPPIWIGKPEJAW-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1)N(C)C ZINC001019394856 771245914 /nfs/dbraw/zinc/24/59/14/771245914.db2.gz OSORWNNCLRMUDX-ILXRZTDVSA-N 1 3 345.509 0.342 20 0 ECADHO CN(Cc1ccco1)C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466417 771284714 /nfs/dbraw/zinc/28/47/14/771284714.db2.gz AMVLMQXFOFBOSV-MRXNPFEDSA-N 1 3 348.447 0.286 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)C2 ZINC001019441414 771289919 /nfs/dbraw/zinc/28/99/19/771289919.db2.gz LDNGEAHXRFLBAI-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)C2 ZINC001019441414 771289922 /nfs/dbraw/zinc/28/99/22/771289922.db2.gz LDNGEAHXRFLBAI-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCC[C@H](N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001019469642 771332191 /nfs/dbraw/zinc/33/21/91/771332191.db2.gz GMNLPXQIGGFSPQ-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001056549407 771374015 /nfs/dbraw/zinc/37/40/15/771374015.db2.gz ZTYSOGLZASZPCZ-HZPDHXFCSA-N 1 3 338.496 0.870 20 0 ECADHO C[NH+](C)CCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH]cn1 ZINC001056573593 771394641 /nfs/dbraw/zinc/39/46/41/771394641.db2.gz WQHYNAMYXISSOH-CABCVRRESA-N 1 3 333.436 0.496 20 0 ECADHO C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH]cn1 ZINC001056573596 771394899 /nfs/dbraw/zinc/39/48/99/771394899.db2.gz WQHYNAMYXISSOH-LSDHHAIUSA-N 1 3 333.436 0.496 20 0 ECADHO CC(C)N1CC[C@@H](N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001019661405 771684671 /nfs/dbraw/zinc/68/46/71/771684671.db2.gz ZSBSGUORQXFIIG-LSDHHAIUSA-N 1 3 334.464 0.282 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(CCn4cncn4)[C@@H]3C2)CC1 ZINC001042212995 782947724 /nfs/dbraw/zinc/94/77/24/782947724.db2.gz CVZPJQOXARFCFQ-NVXWUHKLSA-N 1 3 346.479 0.543 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)c1 ZINC001019810930 771826007 /nfs/dbraw/zinc/82/60/07/771826007.db2.gz RKUBCCFNRFHDTO-DLBZAZTESA-N 1 3 344.459 0.783 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019812420 771827605 /nfs/dbraw/zinc/82/76/05/771827605.db2.gz OAFSKBRHRPXCNR-INIZCTEOSA-N 1 3 342.447 0.844 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001019820727 771838767 /nfs/dbraw/zinc/83/87/67/771838767.db2.gz WDMIJBJPZYPENQ-DLBZAZTESA-N 1 3 348.495 0.960 20 0 ECADHO Cn1cc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CN4CCC[C@H]4CO3)C2)cn1 ZINC001020179391 772251466 /nfs/dbraw/zinc/25/14/66/772251466.db2.gz ZELRKGZUGNZYHZ-QAETUUGQSA-N 1 3 347.463 0.063 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179414 772251919 /nfs/dbraw/zinc/25/19/19/772251919.db2.gz ZYKWTBSZJGIZFS-JKQORVJESA-N 1 3 348.447 0.837 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020179414 772251922 /nfs/dbraw/zinc/25/19/22/772251922.db2.gz ZYKWTBSZJGIZFS-JKQORVJESA-N 1 3 348.447 0.837 20 0 ECADHO Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn3cccn3)C1)CC2 ZINC001020316635 772437940 /nfs/dbraw/zinc/43/79/40/772437940.db2.gz QCIZPEMMKFJITC-KKUMJFAQSA-N 1 3 342.447 0.957 20 0 ECADHO Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn3cccn3)C1)C2 ZINC001020316635 772437946 /nfs/dbraw/zinc/43/79/46/772437946.db2.gz QCIZPEMMKFJITC-KKUMJFAQSA-N 1 3 342.447 0.957 20 0 ECADHO Cn1cncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020405716 772548656 /nfs/dbraw/zinc/54/86/56/772548656.db2.gz BAOPEMKLZNSOOZ-LRJYCPHFSA-N 1 3 345.447 0.020 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406898 772550997 /nfs/dbraw/zinc/55/09/97/772550997.db2.gz FIFKCJIAUMGKJU-JBWWOZQKSA-N 1 3 349.475 0.513 20 0 ECADHO CN1CC[C@@H]([NH+]2CCC3(CCN(C(=O)[C@H]4CCCN4C)C3)CC2)C1=O ZINC001040640554 783158830 /nfs/dbraw/zinc/15/88/30/783158830.db2.gz CBHWKYOADHEVDH-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044863071 774685942 /nfs/dbraw/zinc/68/59/42/774685942.db2.gz PJVKDOYMWUEVBY-CJNGLKHVSA-N 1 3 332.448 0.816 20 0 ECADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001045039928 774882839 /nfs/dbraw/zinc/88/28/39/774882839.db2.gz QYBGJXPGYMGESM-DOTOQJQBSA-N 1 3 331.464 0.843 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCc2cccc(C(N)=O)c2)C1 ZINC001045309029 775375384 /nfs/dbraw/zinc/37/53/84/775375384.db2.gz NAPDNIXLAFRBLP-SJORKVTESA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCc2cccc(C(N)=O)c2)C1 ZINC001045309029 775375391 /nfs/dbraw/zinc/37/53/91/775375391.db2.gz NAPDNIXLAFRBLP-SJORKVTESA-N 1 3 344.459 0.818 20 0 ECADHO CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001079949472 777132140 /nfs/dbraw/zinc/13/21/40/777132140.db2.gz DAHUJFDMUWJIKC-CVEARBPZSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(C(=O)CN(C)C1CCC1)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079966846 777167952 /nfs/dbraw/zinc/16/79/52/777167952.db2.gz KVRFTYKZLQUTAP-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001080147805 777466322 /nfs/dbraw/zinc/46/63/22/777466322.db2.gz MTSFSKNQMSNXGP-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001080147805 777466328 /nfs/dbraw/zinc/46/63/28/777466328.db2.gz MTSFSKNQMSNXGP-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001080444325 777866239 /nfs/dbraw/zinc/86/62/39/777866239.db2.gz IBPVGTXGSGZEDP-UHFFFAOYSA-N 1 3 340.512 0.975 20 0 ECADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001080533554 777975674 /nfs/dbraw/zinc/97/56/74/777975674.db2.gz KDYKQIFFQHMGSU-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001080533554 777975677 /nfs/dbraw/zinc/97/56/77/777975677.db2.gz KDYKQIFFQHMGSU-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001080558171 778028276 /nfs/dbraw/zinc/02/82/76/778028276.db2.gz OEXTUCQNGFPVOV-HOCLYGCPSA-N 1 3 338.496 0.585 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001080558171 778028287 /nfs/dbraw/zinc/02/82/87/778028287.db2.gz OEXTUCQNGFPVOV-HOCLYGCPSA-N 1 3 338.496 0.585 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001078498504 780020666 /nfs/dbraw/zinc/02/06/66/780020666.db2.gz NMZPDTQYFFKLGH-INIZCTEOSA-N 1 3 347.463 0.223 20 0 ECADHO O=C(N1CC[C@@H]2CCN(CCn3cncn3)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001042314898 780057831 /nfs/dbraw/zinc/05/78/31/780057831.db2.gz XALXCJUPIXOTCY-JKSUJKDBSA-N 1 3 344.463 0.297 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001078819375 780535723 /nfs/dbraw/zinc/53/57/23/780535723.db2.gz MPDTZFZLSIHREW-HZPDHXFCSA-N 1 3 344.459 0.864 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@@H]3CCC(F)(F)C3)C[C@H]2O)CC1 ZINC001077618272 781360029 /nfs/dbraw/zinc/36/00/29/781360029.db2.gz DVDMFDOXJZKXOU-BPLDGKMQSA-N 1 3 345.434 0.925 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001077655868 781438025 /nfs/dbraw/zinc/43/80/25/781438025.db2.gz KQHWWJIWZJWFFO-GOEBONIOSA-N 1 3 328.501 0.925 20 0 ECADHO COCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489102 781617721 /nfs/dbraw/zinc/61/77/21/781617721.db2.gz NRJWWIUFLTTWKO-BDFRZKONSA-N 1 3 349.475 0.420 20 0 ECADHO COCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489102 781617725 /nfs/dbraw/zinc/61/77/25/781617725.db2.gz NRJWWIUFLTTWKO-BDFRZKONSA-N 1 3 349.475 0.420 20 0 ECADHO O=C(NCc1c[nH]nc1[C@H]1CCN(CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001070410259 783999168 /nfs/dbraw/zinc/99/91/68/783999168.db2.gz ZCIZJIUJZZDKKG-HOCLYGCPSA-N 1 3 347.463 0.149 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001071013699 784413708 /nfs/dbraw/zinc/41/37/08/784413708.db2.gz KXHGMSLYOFEBQX-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001071013699 784413713 /nfs/dbraw/zinc/41/37/13/784413713.db2.gz KXHGMSLYOFEBQX-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001070655298 784506497 /nfs/dbraw/zinc/50/64/97/784506497.db2.gz DUGPKFVUZISWGU-NUEKZKHPSA-N 1 3 349.479 0.169 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001072287692 785985664 /nfs/dbraw/zinc/98/56/64/785985664.db2.gz ZTGNGBLYFHVBCY-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001072287692 785985670 /nfs/dbraw/zinc/98/56/70/785985670.db2.gz ZTGNGBLYFHVBCY-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001072369506 786092023 /nfs/dbraw/zinc/09/20/23/786092023.db2.gz RAGJXDFLUQWING-HIFRSBDPSA-N 1 3 330.436 0.960 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001072480271 786250106 /nfs/dbraw/zinc/25/01/06/786250106.db2.gz BRACODSMWUSIOP-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001072480271 786250112 /nfs/dbraw/zinc/25/01/12/786250112.db2.gz BRACODSMWUSIOP-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001074198056 786428619 /nfs/dbraw/zinc/42/86/19/786428619.db2.gz JHFXBVBAYYBSPI-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO O=C(NC[C@@H]1CN(CCCF)CCCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC001073605949 786760145 /nfs/dbraw/zinc/76/01/45/786760145.db2.gz ZHOXAKGUILGFPM-HZPDHXFCSA-N 1 3 327.444 0.895 20 0 ECADHO O=C(NC[C@@H]1CN(CCO)CCCO1)C1CC[NH+](CC2CC2)CC1 ZINC001073850912 787360005 /nfs/dbraw/zinc/36/00/05/787360005.db2.gz OOPNHIIYIWDAKA-QGZVFWFLSA-N 1 3 339.480 0.308 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCOC3CCC3)CCCO2)C1 ZINC001073890440 787448038 /nfs/dbraw/zinc/44/80/38/787448038.db2.gz CVNLLXKJGMERKS-RDJZCZTQSA-N 1 3 339.480 0.714 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCOC3CCC3)CCCO2)C1 ZINC001073890440 787448043 /nfs/dbraw/zinc/44/80/43/787448043.db2.gz CVNLLXKJGMERKS-RDJZCZTQSA-N 1 3 339.480 0.714 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001074695073 787622470 /nfs/dbraw/zinc/62/24/70/787622470.db2.gz BZAQRIICAAFLTD-JYJNAYRXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001074695073 787622476 /nfs/dbraw/zinc/62/24/76/787622476.db2.gz BZAQRIICAAFLTD-JYJNAYRXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001074028119 787720336 /nfs/dbraw/zinc/72/03/36/787720336.db2.gz ZKMXRHHZQOISGY-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001074880633 788480720 /nfs/dbraw/zinc/48/07/20/788480720.db2.gz NWBUKDNWCOWKHZ-MKBNYLNASA-N 1 3 328.432 0.263 20 0 ECADHO C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001074942787 788577853 /nfs/dbraw/zinc/57/78/53/788577853.db2.gz ZLVVIGPCSKDUEM-CWRNSKLLSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@H+](CCn2cccn2)C3)CCC1 ZINC001072812045 788860985 /nfs/dbraw/zinc/86/09/85/788860985.db2.gz QBNLJGDYMWMIEM-UHFFFAOYSA-N 1 3 331.464 0.902 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@@H+](CCn2cccn2)C3)CCC1 ZINC001072812045 788860997 /nfs/dbraw/zinc/86/09/97/788860997.db2.gz QBNLJGDYMWMIEM-UHFFFAOYSA-N 1 3 331.464 0.902 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1=O ZINC001075108668 788917482 /nfs/dbraw/zinc/91/74/82/788917482.db2.gz ALEUVFIEVLYTNM-GUTXKFCHSA-N 1 3 349.431 0.679 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cc1=O ZINC001075108668 788917488 /nfs/dbraw/zinc/91/74/88/788917488.db2.gz ALEUVFIEVLYTNM-GUTXKFCHSA-N 1 3 349.431 0.679 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001075127407 788943396 /nfs/dbraw/zinc/94/33/96/788943396.db2.gz OERFIECZFXYNTQ-RRQGHBQHSA-N 1 3 344.459 0.829 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001075127406 788943786 /nfs/dbraw/zinc/94/37/86/788943786.db2.gz OERFIECZFXYNTQ-JQFCIGGWSA-N 1 3 344.459 0.829 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425873 789822994 /nfs/dbraw/zinc/82/29/94/789822994.db2.gz KKXNTDXJDOYPHC-HUUCEWRRSA-N 1 3 334.464 0.093 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073425873 789823000 /nfs/dbraw/zinc/82/30/00/789823000.db2.gz KKXNTDXJDOYPHC-HUUCEWRRSA-N 1 3 334.464 0.093 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001267429386 837400826 /nfs/dbraw/zinc/40/08/26/837400826.db2.gz ZUWMYIMFBLQIAH-CQSZACIVSA-N 1 3 345.509 0.201 20 0 ECADHO COCCN1CCN(CCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001266271540 835592986 /nfs/dbraw/zinc/59/29/86/835592986.db2.gz NKZCWBZZLNXLNE-UHFFFAOYSA-N 1 3 326.485 0.099 20 0 ECADHO CCCN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCOCCO)CC1 ZINC001266388653 835797987 /nfs/dbraw/zinc/79/79/87/835797987.db2.gz LWKHFHUIGPWSEX-QGZVFWFLSA-N 1 3 341.496 0.793 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001266817403 836341938 /nfs/dbraw/zinc/34/19/38/836341938.db2.gz QGZJLBXEKJLFOO-ZIAGYGMSSA-N 1 3 333.498 0.199 20 0 ECADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001266879973 836428008 /nfs/dbraw/zinc/42/80/08/836428008.db2.gz DWJNGCVLNVEBDV-KBPBESRZSA-N 1 3 338.452 0.104 20 0 ECADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266939776 836498046 /nfs/dbraw/zinc/49/80/46/836498046.db2.gz OHSRLOZPWHESRR-QWHCGFSZSA-N 1 3 338.452 0.150 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001267057254 836692047 /nfs/dbraw/zinc/69/20/47/836692047.db2.gz DJLWRRGNIUFQMB-CABCVRRESA-N 1 3 345.509 0.201 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001267057256 836692233 /nfs/dbraw/zinc/69/22/33/836692233.db2.gz DJLWRRGNIUFQMB-HUUCEWRRSA-N 1 3 345.509 0.201 20 0 ECADHO CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)CN(C)C1CCC1 ZINC001408579651 836935179 /nfs/dbraw/zinc/93/51/79/836935179.db2.gz RHPMFEYYOUCSRV-INIZCTEOSA-N 1 3 336.480 0.387 20 0 ECADHO CCC[C@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267373362 837278005 /nfs/dbraw/zinc/27/80/05/837278005.db2.gz AJYHBLOJJMKWEO-GOEBONIOSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001267374821 837282109 /nfs/dbraw/zinc/28/21/09/837282109.db2.gz NOLDKYYGCIOJFG-GHMZBOCLSA-N 1 3 338.374 0.053 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001267374821 837282117 /nfs/dbraw/zinc/28/21/17/837282117.db2.gz NOLDKYYGCIOJFG-GHMZBOCLSA-N 1 3 338.374 0.053 20 0 ECADHO CC[C@H](C(=O)N(C)CC[NH2+]CCn1c(C)csc1=O)N(C)C ZINC001267390777 837334292 /nfs/dbraw/zinc/33/42/92/837334292.db2.gz UXRPRRWIBKFJSG-CYBMUJFWSA-N 1 3 328.482 0.606 20 0 ECADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CN1CCC(C)(C)C1 ZINC001408669800 837918623 /nfs/dbraw/zinc/91/86/23/837918623.db2.gz SUKKPVSLWHHBHP-UHFFFAOYSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001408693799 838008837 /nfs/dbraw/zinc/00/88/37/838008837.db2.gz PDEHTHNYEZLCGQ-GOEBONIOSA-N 1 3 336.480 0.245 20 0 ECADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCCC1 ZINC001267847605 838645902 /nfs/dbraw/zinc/64/59/02/838645902.db2.gz ZYJOCLRQDODNPH-CYBMUJFWSA-N 1 3 338.452 0.150 20 0 ECADHO COC[C@H](CCC[NH3+])NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000423096043 209698819 /nfs/dbraw/zinc/69/88/19/209698819.db2.gz NVCSCKHDXGGARQ-AWEZNQCLSA-N 1 3 347.456 0.790 20 0 ECADHO COC(=O)CN(C)C(=O)CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441260221 291064345 /nfs/dbraw/zinc/06/43/45/291064345.db2.gz AIXNXOSMWKJGBU-RBSFLKMASA-N 1 3 341.452 0.191 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](N4CCCC4)C3)C2)C1 ZINC000460026766 283164894 /nfs/dbraw/zinc/16/48/94/283164894.db2.gz USUMWCSMBPJRPG-APWZRJJASA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](N4CCCC4)C3)C2)C1 ZINC000460026766 283164901 /nfs/dbraw/zinc/16/49/01/283164901.db2.gz USUMWCSMBPJRPG-APWZRJJASA-N 1 3 348.491 0.627 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000423418372 283231679 /nfs/dbraw/zinc/23/16/79/283231679.db2.gz UMYFFZPBAYOBRG-CABCVRRESA-N 1 3 326.485 0.763 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419027227 283385055 /nfs/dbraw/zinc/38/50/55/283385055.db2.gz OCGDFZBTVWOHGQ-SOUVJXGZSA-N 1 3 326.485 0.585 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000420460884 209371355 /nfs/dbraw/zinc/37/13/55/209371355.db2.gz RQXJGVRFGHVRSG-CYBMUJFWSA-N 1 3 329.470 0.173 20 0 ECADHO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420460905 209370908 /nfs/dbraw/zinc/37/09/08/209370908.db2.gz RRZMGDGCCACQCE-CQSZACIVSA-N 1 3 343.497 0.434 20 0 ECADHO C[C@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000420402147 209361512 /nfs/dbraw/zinc/36/15/12/209361512.db2.gz JRUNWOWFEMYRFY-JKSUJKDBSA-N 1 3 346.479 0.432 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420374658 209358600 /nfs/dbraw/zinc/35/86/00/209358600.db2.gz HVHVLVVXHFQQDR-GJZGRUSLSA-N 1 3 333.498 0.534 20 0 ECADHO COC(=O)c1cccc(OCCN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348272 209354827 /nfs/dbraw/zinc/35/48/27/209354827.db2.gz KLUIHTKSDHAHBF-MRXNPFEDSA-N 1 3 333.432 0.832 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000420140561 209319367 /nfs/dbraw/zinc/31/93/67/209319367.db2.gz XVJULRXPNYPDEB-AWEZNQCLSA-N 1 3 332.448 0.877 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420122605 209313122 /nfs/dbraw/zinc/31/31/22/209313122.db2.gz LKIQKRMXOVFADU-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000420114200 209310590 /nfs/dbraw/zinc/31/05/90/209310590.db2.gz DBHQVRVKOGRCJI-GJZGRUSLSA-N 1 3 326.485 0.858 20 0 ECADHO CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](CN)C1CC1)[NH+]1CCCC1 ZINC000420068806 209296697 /nfs/dbraw/zinc/29/66/97/209296697.db2.gz VFYGXZYYVDEUMN-CVEARBPZSA-N 1 3 338.496 0.857 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[NH3+])c1 ZINC000420020801 209280308 /nfs/dbraw/zinc/28/03/08/209280308.db2.gz GGYMKHZCSFGKLX-ZDUSSCGKSA-N 1 3 336.436 0.049 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000132027914 223293609 /nfs/dbraw/zinc/29/36/09/223293609.db2.gz PZBPUUBHTHFVET-INIZCTEOSA-N 1 3 332.448 0.675 20 0 ECADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419908737 209245495 /nfs/dbraw/zinc/24/54/95/209245495.db2.gz FGMOVHGRBVUZAB-CVEARBPZSA-N 1 3 336.480 0.579 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419902162 209244484 /nfs/dbraw/zinc/24/44/84/209244484.db2.gz UXVFVABSEWAQEV-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000419892384 209241385 /nfs/dbraw/zinc/24/13/85/209241385.db2.gz NYUHGHGSNBBWKE-XUWVNRHRSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@H]1C[NH3+] ZINC000419776401 209203302 /nfs/dbraw/zinc/20/33/02/209203302.db2.gz LYKQXXNRGNWMOV-ILXRZTDVSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419700268 209177699 /nfs/dbraw/zinc/17/76/99/209177699.db2.gz SCENGUFDYKQJPV-HUUCEWRRSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419697162 209175438 /nfs/dbraw/zinc/17/54/38/209175438.db2.gz QEZHKOIGAXCPPN-RRFJBIMHSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419667564 209165912 /nfs/dbraw/zinc/16/59/12/209165912.db2.gz BXZSCCWINWRNTN-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000419653043 209158602 /nfs/dbraw/zinc/15/86/02/209158602.db2.gz XYOOKDRIOORXHJ-SJORKVTESA-N 1 3 344.459 0.717 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000419642479 209154218 /nfs/dbraw/zinc/15/42/18/209154218.db2.gz LXPILZTVQHWOGN-AWEZNQCLSA-N 1 3 346.475 0.950 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CCSC1 ZINC000419590248 209135017 /nfs/dbraw/zinc/13/50/17/209135017.db2.gz TZBGBSVMMCHGAT-CZUORRHYSA-N 1 3 342.509 0.046 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419595090 209134024 /nfs/dbraw/zinc/13/40/24/209134024.db2.gz VTTPJBGLUCDBPR-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)C(C)(C)C[NH+](C)C ZINC000419550812 209123903 /nfs/dbraw/zinc/12/39/03/209123903.db2.gz VFNMCDBINDGQOJ-GXTWGEPZSA-N 1 3 326.485 0.713 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000419526089 209115884 /nfs/dbraw/zinc/11/58/84/209115884.db2.gz SEHDZNSKTXFHMV-ZDUSSCGKSA-N 1 3 332.448 0.753 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000419526089 209115886 /nfs/dbraw/zinc/11/58/86/209115886.db2.gz SEHDZNSKTXFHMV-ZDUSSCGKSA-N 1 3 332.448 0.753 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419931341 209251291 /nfs/dbraw/zinc/25/12/91/209251291.db2.gz COWXYWDGVMMZQI-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420117667 284611313 /nfs/dbraw/zinc/61/13/13/284611313.db2.gz HYFHHCPCNBTEEA-HZPDHXFCSA-N 1 3 340.512 0.927 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@@](C)(O)C(C)=O)CC1 ZINC000450263309 211315807 /nfs/dbraw/zinc/31/58/07/211315807.db2.gz BHVQDIYNVVYEJQ-GOSISDBHSA-N 1 3 341.496 0.887 20 0 ECADHO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@@H](N2CCCC2)C1 ZINC000261686377 296279374 /nfs/dbraw/zinc/27/93/74/296279374.db2.gz NEFRGTINFUNKHN-OAHLLOKOSA-N 1 3 332.452 0.903 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000446041538 211127941 /nfs/dbraw/zinc/12/79/41/211127941.db2.gz JBOIONNNOVBUCW-CQSZACIVSA-N 1 3 332.448 0.797 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000446041538 211127944 /nfs/dbraw/zinc/12/79/44/211127944.db2.gz JBOIONNNOVBUCW-CQSZACIVSA-N 1 3 332.448 0.797 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418865413 284811849 /nfs/dbraw/zinc/81/18/49/284811849.db2.gz RVGOPVWEMBTNQL-DOTOQJQBSA-N 1 3 346.475 0.993 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000411550894 208115299 /nfs/dbraw/zinc/11/52/99/208115299.db2.gz LOSLGUZQOKTAQR-KBPBESRZSA-N 1 3 328.457 0.559 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000411550894 208115306 /nfs/dbraw/zinc/11/53/06/208115306.db2.gz LOSLGUZQOKTAQR-KBPBESRZSA-N 1 3 328.457 0.559 20 0 ECADHO NC(=O)c1ccc(NC(=O)CCN2CCC(OCCC[NH3+])CC2)cc1 ZINC000430552902 210381417 /nfs/dbraw/zinc/38/14/17/210381417.db2.gz CAFPVMULSQBVRU-UHFFFAOYSA-N 1 3 348.447 0.944 20 0 ECADHO O=C(CNC(=O)NCCC[NH2+]C1CC1)NCCN1CCCCCC1 ZINC000418289496 208791147 /nfs/dbraw/zinc/79/11/47/208791147.db2.gz OTEOFZPNILLUKL-UHFFFAOYSA-N 1 3 339.484 0.420 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](SC)[C@@H](N(C)C)C2)CC1 ZINC000411428298 285188005 /nfs/dbraw/zinc/18/80/05/285188005.db2.gz SFBCBDZQUQJSBU-LSDHHAIUSA-N 1 3 328.526 0.564 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000419007571 208940994 /nfs/dbraw/zinc/94/09/94/208940994.db2.gz YJYPUYQLKGGNRB-SJORKVTESA-N 1 3 346.475 0.998 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419154635 209003936 /nfs/dbraw/zinc/00/39/36/209003936.db2.gz RXPMBBDGYGEVAP-HNNXBMFYSA-N 1 3 348.447 0.193 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419154636 209004002 /nfs/dbraw/zinc/00/40/02/209004002.db2.gz RXPMBBDGYGEVAP-OAHLLOKOSA-N 1 3 348.447 0.193 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000496166061 255077191 /nfs/dbraw/zinc/07/71/91/255077191.db2.gz IMYXXIDKXRJDJV-GASCZTMLSA-N 1 3 338.452 0.219 20 0 ECADHO CN(C[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1)C(=O)OC(C)(C)C ZINC000496171495 255077410 /nfs/dbraw/zinc/07/74/10/255077410.db2.gz RQLSCVKHYNBULO-ZIAGYGMSSA-N 1 3 331.457 0.261 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1=O ZINC000435242457 285255210 /nfs/dbraw/zinc/25/52/10/285255210.db2.gz ZUPOMXGAZOXNPM-HYVNUMGLSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419172801 209011777 /nfs/dbraw/zinc/01/17/77/209011777.db2.gz RNMPGUVKOGUPFI-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419172804 209012584 /nfs/dbraw/zinc/01/25/84/209012584.db2.gz RNMPGUVKOGUPFI-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000419196994 209019612 /nfs/dbraw/zinc/01/96/12/209019612.db2.gz BFICLZKHVGIJKV-KRWDZBQOSA-N 1 3 346.475 0.997 20 0 ECADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000419196994 209019613 /nfs/dbraw/zinc/01/96/13/209019613.db2.gz BFICLZKHVGIJKV-KRWDZBQOSA-N 1 3 346.475 0.997 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000419230271 209034094 /nfs/dbraw/zinc/03/40/94/209034094.db2.gz PPGBRXQWOPMGRM-KKUMJFAQSA-N 1 3 346.475 0.723 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232486 209035525 /nfs/dbraw/zinc/03/55/25/209035525.db2.gz UQNPPYKLGXKFCV-CWRNSKLLSA-N 1 3 336.480 0.563 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419282756 209049266 /nfs/dbraw/zinc/04/92/66/209049266.db2.gz IRYIQXRJOUFTID-STQMWFEESA-N 1 3 328.457 0.064 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419282756 209049269 /nfs/dbraw/zinc/04/92/69/209049269.db2.gz IRYIQXRJOUFTID-STQMWFEESA-N 1 3 328.457 0.064 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419372766 209071698 /nfs/dbraw/zinc/07/16/98/209071698.db2.gz LNKRWPUNHKIQRO-INIZCTEOSA-N 1 3 344.459 0.070 20 0 ECADHO Cc1ccccc1C(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211886 296634723 /nfs/dbraw/zinc/63/47/23/296634723.db2.gz YITXCWTXQUANFI-UHFFFAOYSA-N 1 3 334.464 0.677 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000130722937 296665933 /nfs/dbraw/zinc/66/59/33/296665933.db2.gz FKSRLVJNWYHRLF-OAHLLOKOSA-N 1 3 332.448 0.594 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC2([NH+](C)C)CCOCC2)C1(C)C ZINC000188202810 286306299 /nfs/dbraw/zinc/30/62/99/286306299.db2.gz PEAFHEXYFBCUGO-CXAGYDPISA-N 1 3 327.469 0.746 20 0 ECADHO CCNS(=O)(=O)[C@H]1CCN(CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192783709 165048692 /nfs/dbraw/zinc/04/86/92/165048692.db2.gz AZZDYMSWOUMHGS-INIZCTEOSA-N 1 3 346.541 0.416 20 0 ECADHO C[C@]1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CCCCN1 ZINC000262210191 165308953 /nfs/dbraw/zinc/30/89/53/165308953.db2.gz JSLCRUBIDZAVTG-OAHLLOKOSA-N 1 3 340.449 0.394 20 0 ECADHO N[C@@H](CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000262830319 165393006 /nfs/dbraw/zinc/39/30/06/165393006.db2.gz UXNKTJWIRYKZKS-CVEARBPZSA-N 1 3 332.448 0.923 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000419403039 209081358 /nfs/dbraw/zinc/08/13/58/209081358.db2.gz DCAQKQUKUBFKHS-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000419412019 209085188 /nfs/dbraw/zinc/08/51/88/209085188.db2.gz QIBGKKHRWUWUBO-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2CCN(CCO)CC2)C1 ZINC000176184708 263152434 /nfs/dbraw/zinc/15/24/34/263152434.db2.gz DOELNELLBDNDND-JKSUJKDBSA-N 1 3 326.485 0.863 20 0 ECADHO CN1CCC(NC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000284893400 264252962 /nfs/dbraw/zinc/25/29/62/264252962.db2.gz PIFNNLQGMGINLC-UHFFFAOYSA-N 1 3 346.475 0.835 20 0 ECADHO CN1CCC(NC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000284893400 264252963 /nfs/dbraw/zinc/25/29/63/264252963.db2.gz PIFNNLQGMGINLC-UHFFFAOYSA-N 1 3 346.475 0.835 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419915014 276247455 /nfs/dbraw/zinc/24/74/55/276247455.db2.gz OWTJGTBBCUYOLC-RDJZCZTQSA-N 1 3 346.475 0.993 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419915014 276247457 /nfs/dbraw/zinc/24/74/57/276247457.db2.gz OWTJGTBBCUYOLC-RDJZCZTQSA-N 1 3 346.475 0.993 20 0 ECADHO COCCNCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000178891227 277229500 /nfs/dbraw/zinc/22/95/00/277229500.db2.gz CYPBILKSGOTULO-UHFFFAOYSA-N 1 3 326.485 0.289 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419132802 277395017 /nfs/dbraw/zinc/39/50/17/277395017.db2.gz FCERAFZNYURDFU-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419132802 277395018 /nfs/dbraw/zinc/39/50/18/277395018.db2.gz FCERAFZNYURDFU-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000347967436 279179788 /nfs/dbraw/zinc/17/97/88/279179788.db2.gz NFBZMROEQZEASZ-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](C[NH3+])NC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418528129 279295247 /nfs/dbraw/zinc/29/52/47/279295247.db2.gz RLAXKXSRVNAIRG-AEFFLSMTSA-N 1 3 345.491 0.935 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000340212462 437603339 /nfs/dbraw/zinc/60/33/39/437603339.db2.gz PDVPTRYEWJTEPN-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000340212462 437603342 /nfs/dbraw/zinc/60/33/42/437603342.db2.gz PDVPTRYEWJTEPN-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000340215682 437605017 /nfs/dbraw/zinc/60/50/17/437605017.db2.gz WYPQZZGXMZDLLY-PMPSAXMXSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343638356 437611396 /nfs/dbraw/zinc/61/13/96/437611396.db2.gz KOHFOCDSPMQOHD-CZUORRHYSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343638356 437611402 /nfs/dbraw/zinc/61/14/02/437611402.db2.gz KOHFOCDSPMQOHD-CZUORRHYSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](C(=O)NCc1cccc(C(=O)NCCN(C)C)c1)C1C[NH2+]C1 ZINC000262335309 289358365 /nfs/dbraw/zinc/35/83/65/289358365.db2.gz HFQOVRARAZEDCF-ZDUSSCGKSA-N 1 3 332.448 0.450 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000332479170 297043810 /nfs/dbraw/zinc/04/38/10/297043810.db2.gz PYHLIEOVBDXNSF-SOUVJXGZSA-N 1 3 337.468 0.204 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000332560200 297052847 /nfs/dbraw/zinc/05/28/47/297052847.db2.gz QAERCKTXCMSQJM-ZJIFWQFVSA-N 1 3 336.480 0.705 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000332573767 297054037 /nfs/dbraw/zinc/05/40/37/297054037.db2.gz DYVGOSMIBYLZMW-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000332660869 297063204 /nfs/dbraw/zinc/06/32/04/297063204.db2.gz WWCDMENCDQEWGE-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CC[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000333037373 297103517 /nfs/dbraw/zinc/10/35/17/297103517.db2.gz NUBKXFFIWWPYOP-FHLIZLRMSA-N 1 3 334.464 0.189 20 0 ECADHO C[C@H](CC[N@H+]1CC[C@]2(CNC(=O)C2)C1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000333037373 297103518 /nfs/dbraw/zinc/10/35/18/297103518.db2.gz NUBKXFFIWWPYOP-FHLIZLRMSA-N 1 3 334.464 0.189 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000339745942 297377123 /nfs/dbraw/zinc/37/71/23/297377123.db2.gz STUVMUTWSZPYQR-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339748407 297377771 /nfs/dbraw/zinc/37/77/71/297377771.db2.gz BHSOHDQTJVIAKT-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCCC2)CCN1C ZINC000339754645 297379526 /nfs/dbraw/zinc/37/95/26/297379526.db2.gz TVPHVEYLEKIKAQ-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000339797135 297387862 /nfs/dbraw/zinc/38/78/62/297387862.db2.gz GQDPZLXVEQFRHL-UHFFFAOYSA-N 1 3 346.475 0.919 20 0 ECADHO O=C(NC1CCN(C2CC2)CC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000339948950 297410782 /nfs/dbraw/zinc/41/07/82/297410782.db2.gz DOEGMLOPWKLCGO-UHFFFAOYSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C[NH+]1CCCC1 ZINC000340766151 297537518 /nfs/dbraw/zinc/53/75/18/297537518.db2.gz HPCDPARZSOPBQB-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CS[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1N(C)C ZINC000343679340 297908323 /nfs/dbraw/zinc/90/83/23/297908323.db2.gz VNWAXKZVGVXNOA-HOTGVXAUSA-N 1 3 340.537 0.707 20 0 ECADHO C[C@H]1CN(CCCCNC(=O)C2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000344495586 298029217 /nfs/dbraw/zinc/02/92/17/298029217.db2.gz YZBBIHBIQDSURT-GJZGRUSLSA-N 1 3 327.469 0.748 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCC(=O)N1 ZINC000345192431 298128160 /nfs/dbraw/zinc/12/81/60/298128160.db2.gz CXSCOOUANSBHQN-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCC(=O)N1 ZINC000345192431 298128163 /nfs/dbraw/zinc/12/81/63/298128163.db2.gz CXSCOOUANSBHQN-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CN(C)C)NC(=O)C(C)(C)CCC(=O)N[C@H](C)C[NH+](C)C ZINC000346135112 298231493 /nfs/dbraw/zinc/23/14/93/298231493.db2.gz CIYVWVGDZVCAFP-ZIAGYGMSSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](CN(C)C)NC(=O)CCC(C)(C)C(=O)N[C@H](C)C[NH+](C)C ZINC000346135112 298231496 /nfs/dbraw/zinc/23/14/96/298231496.db2.gz CIYVWVGDZVCAFP-ZIAGYGMSSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@@H](C)C[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346167552 298232245 /nfs/dbraw/zinc/23/22/45/298232245.db2.gz FZIBBNPRNLBWFC-QCODTGAPSA-N 1 3 340.512 0.781 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346167552 298232247 /nfs/dbraw/zinc/23/22/47/298232247.db2.gz FZIBBNPRNLBWFC-QCODTGAPSA-N 1 3 340.512 0.781 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1=O ZINC000346345330 298262932 /nfs/dbraw/zinc/26/29/32/298262932.db2.gz VDZRXIRDHSHUER-HZPDHXFCSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000346530547 298288062 /nfs/dbraw/zinc/28/80/62/298288062.db2.gz NADFODZQZXKFPX-XYPHTWIQSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000346530547 298288066 /nfs/dbraw/zinc/28/80/66/298288066.db2.gz NADFODZQZXKFPX-XYPHTWIQSA-N 1 3 348.491 0.718 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000351010629 298746584 /nfs/dbraw/zinc/74/65/84/298746584.db2.gz RIJFPUFYWRQTJU-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000351559687 298787879 /nfs/dbraw/zinc/78/78/79/298787879.db2.gz VGZCCTIVJQWIBH-IRXDYDNUSA-N 1 3 344.459 0.808 20 0 ECADHO COCCN(C)CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000353241860 299026126 /nfs/dbraw/zinc/02/61/26/299026126.db2.gz XAYJOKOUKGTNGW-UHFFFAOYSA-N 1 3 330.473 0.099 20 0 ECADHO CCN(C)C(=O)[C@@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000353381247 299044664 /nfs/dbraw/zinc/04/46/64/299044664.db2.gz MGRCCYRAVJWDPV-OAHLLOKOSA-N 1 3 326.485 0.239 20 0 ECADHO NC1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)Cc2ccccc2C1 ZINC000362221108 300173143 /nfs/dbraw/zinc/17/31/43/300173143.db2.gz UFRQUSLAXHIEEA-UHFFFAOYSA-N 1 3 337.427 0.926 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN(C2CCOCC2)CC1 ZINC000362571558 300200086 /nfs/dbraw/zinc/20/00/86/300200086.db2.gz ZDWSVMUWRGQCOB-CYBMUJFWSA-N 1 3 333.436 0.423 20 0 ECADHO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000362703485 300211180 /nfs/dbraw/zinc/21/11/80/300211180.db2.gz GJQBSQFJADKBGW-INIZCTEOSA-N 1 3 326.485 0.193 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nc(C)no1 ZINC000074066692 436102776 /nfs/dbraw/zinc/10/27/76/436102776.db2.gz ZBQDQHPJTWHZNB-CQSZACIVSA-N 1 3 338.456 0.936 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nc(C)no1 ZINC000074066692 436102785 /nfs/dbraw/zinc/10/27/85/436102785.db2.gz ZBQDQHPJTWHZNB-CQSZACIVSA-N 1 3 338.456 0.936 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1=O ZINC000073474264 436077564 /nfs/dbraw/zinc/07/75/64/436077564.db2.gz ZERKKOZZJMLZKK-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](CNC(=O)NCC[NH+]1CCC(C)CC1)CN1CCN(C)CC1 ZINC000073659258 436088682 /nfs/dbraw/zinc/08/86/82/436088682.db2.gz HHPZXBGZJXTEQF-QGZVFWFLSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000074657072 436131601 /nfs/dbraw/zinc/13/16/01/436131601.db2.gz JVALAAOPTKKFIO-CVEARBPZSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000074654546 436132063 /nfs/dbraw/zinc/13/20/63/436132063.db2.gz GBWMPPYEKNPXBO-INIZCTEOSA-N 1 3 325.501 0.607 20 0 ECADHO NC(=O)CC[C@@H](N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000377205675 301330844 /nfs/dbraw/zinc/33/08/44/301330844.db2.gz CCHVZIYBTVDZAZ-OAHLLOKOSA-N 1 3 330.432 0.764 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCCC(=O)N3)CC2)CC1 ZINC000377351667 301342847 /nfs/dbraw/zinc/34/28/47/301342847.db2.gz CMFQNADCNUKXGI-OAHLLOKOSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(Cc2ccccn2)nn1 ZINC000080061129 436312071 /nfs/dbraw/zinc/31/20/71/436312071.db2.gz XNBMLMFVSRSOMC-UHFFFAOYSA-N 1 3 345.451 0.287 20 0 ECADHO Cc1cc(N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)n2ncnc2n1 ZINC000515373716 301639379 /nfs/dbraw/zinc/63/93/79/301639379.db2.gz LHQQLDFRVOKIPM-UKRRQHHQSA-N 1 3 329.452 0.943 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)N1CCCC1 ZINC000518128475 301718872 /nfs/dbraw/zinc/71/88/72/301718872.db2.gz LIGVEWQNTJEVNX-CYBMUJFWSA-N 1 3 330.432 0.871 20 0 ECADHO COc1cnccc1N1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000519591748 301747353 /nfs/dbraw/zinc/74/73/53/301747353.db2.gz DEKWZRLTLSDZMU-KBPBESRZSA-N 1 3 333.436 0.920 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000103212338 436554058 /nfs/dbraw/zinc/55/40/58/436554058.db2.gz BKMDJBLSGLWLJX-MRXNPFEDSA-N 1 3 338.496 0.587 20 0 ECADHO CC(C)C(=O)N1CCC(C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000103210815 436554074 /nfs/dbraw/zinc/55/40/74/436554074.db2.gz QFTVYQJXGIDDHP-UHFFFAOYSA-N 1 3 340.512 0.833 20 0 ECADHO CCN(CC)CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000106418699 436595209 /nfs/dbraw/zinc/59/52/09/436595209.db2.gz BSQOCXOEPQAXLE-UHFFFAOYSA-N 1 3 334.464 0.936 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1=O ZINC000530814039 302029643 /nfs/dbraw/zinc/02/96/43/302029643.db2.gz JJKGSLDQOYTBMH-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1=O ZINC000530814039 302029644 /nfs/dbraw/zinc/02/96/44/302029644.db2.gz JJKGSLDQOYTBMH-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CCN(CCCCNC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000536019607 302132749 /nfs/dbraw/zinc/13/27/49/302132749.db2.gz VWZAAZVZZVPEAE-UHFFFAOYSA-N 1 3 334.468 0.242 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000536595117 302141620 /nfs/dbraw/zinc/14/16/20/302141620.db2.gz MGJCRVRQVVJHDH-NVXWUHKLSA-N 1 3 342.484 0.459 20 0 ECADHO CN1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)[C@H](CN)C1 ZINC000557171822 302455267 /nfs/dbraw/zinc/45/52/67/302455267.db2.gz ZVIBBTBAOGXLAN-MRXNPFEDSA-N 1 3 329.448 0.705 20 0 ECADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CNCCO3)cc2)CC1 ZINC000236959895 436721421 /nfs/dbraw/zinc/72/14/21/436721421.db2.gz MXKNFMKDUQSFAG-SFHVURJKSA-N 1 3 346.475 0.429 20 0 ECADHO [NH3+]CCC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000237851215 436746549 /nfs/dbraw/zinc/74/65/49/436746549.db2.gz IDGWOLXDNQYCHM-MRXNPFEDSA-N 1 3 331.464 0.791 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000236806044 436718352 /nfs/dbraw/zinc/71/83/52/436718352.db2.gz FODHDTVOVDWNEV-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CC[C@@H](C(N)=O)CN1C/C=C\C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000255213741 436852224 /nfs/dbraw/zinc/85/22/24/436852224.db2.gz KRHBODMJWUVXFK-KATZGCASSA-N 1 3 336.480 0.714 20 0 ECADHO C[C@@H]1CC[C@@H](C(N)=O)CN1C/C=C\C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000255213741 436852229 /nfs/dbraw/zinc/85/22/29/436852229.db2.gz KRHBODMJWUVXFK-KATZGCASSA-N 1 3 336.480 0.714 20 0 ECADHO C[C@@H]1CC[C@H](C(N)=O)CN1C/C=C\C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000255213741 436852233 /nfs/dbraw/zinc/85/22/33/436852233.db2.gz KRHBODMJWUVXFK-KATZGCASSA-N 1 3 336.480 0.714 20 0 ECADHO C[C@@H]1CC[C@H](C(N)=O)CN1C/C=C\C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000255213741 436852239 /nfs/dbraw/zinc/85/22/39/436852239.db2.gz KRHBODMJWUVXFK-KATZGCASSA-N 1 3 336.480 0.714 20 0 ECADHO CN(CC(C)(C)O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131652801 436854755 /nfs/dbraw/zinc/85/47/55/436854755.db2.gz AXTGKNYAISYDSU-UHFFFAOYSA-N 1 3 326.485 0.957 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261782419 436888912 /nfs/dbraw/zinc/88/89/12/436888912.db2.gz JQNSRMARQMWHEJ-MRXNPFEDSA-N 1 3 346.475 0.984 20 0 ECADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000162371496 436904945 /nfs/dbraw/zinc/90/49/45/436904945.db2.gz HJDHWTKTVKOPDK-YRGRVCCFSA-N 1 3 330.454 0.412 20 0 ECADHO CNC(=O)NC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171304348 436976384 /nfs/dbraw/zinc/97/63/84/436976384.db2.gz LVCQONLJQAKKDP-ZIAGYGMSSA-N 1 3 340.468 0.653 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262981817 436947970 /nfs/dbraw/zinc/94/79/70/436947970.db2.gz YVHWPEWFZUKBTA-IJEWVQPXSA-N 1 3 327.469 0.698 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263244344 436957071 /nfs/dbraw/zinc/95/70/71/436957071.db2.gz MIPBSRRQXKYXEM-ZBFHGGJFSA-N 1 3 342.484 0.045 20 0 ECADHO CN(C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000331437783 437096184 /nfs/dbraw/zinc/09/61/84/437096184.db2.gz BBBFKRUFTHVGJH-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000417688995 303372547 /nfs/dbraw/zinc/37/25/47/303372547.db2.gz SJCHFULZAXHXGX-ZFWWWQNUSA-N 1 3 337.468 0.252 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1C ZINC000331712855 437149488 /nfs/dbraw/zinc/14/94/88/437149488.db2.gz LTCUQUZISWUMFX-WCVJEAGWSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCN1C ZINC000331712855 437149491 /nfs/dbraw/zinc/14/94/91/437149491.db2.gz LTCUQUZISWUMFX-WCVJEAGWSA-N 1 3 336.480 0.671 20 0 ECADHO CN(C)CCN(C)C(=O)c1ccc(C(=O)N(C)CC[NH+](C)C)cc1 ZINC000176811909 437160315 /nfs/dbraw/zinc/16/03/15/437160315.db2.gz XSNVPXFBTJFMEV-UHFFFAOYSA-N 1 3 334.464 0.954 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000332086634 437208649 /nfs/dbraw/zinc/20/86/49/437208649.db2.gz HLNMUSDHGHSNFI-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000332086634 437208655 /nfs/dbraw/zinc/20/86/55/437208655.db2.gz HLNMUSDHGHSNFI-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(CCCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000325970261 437233527 /nfs/dbraw/zinc/23/35/27/437233527.db2.gz VEIFQJLVQMYXGB-RLFYNMQTSA-N 1 3 338.496 0.273 20 0 ECADHO C[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](C)CN1 ZINC000333629386 437279526 /nfs/dbraw/zinc/27/95/26/437279526.db2.gz GIASPGCPIQUZOD-GRYCIOLGSA-N 1 3 337.390 0.214 20 0 ECADHO CN(C)S(=O)(=O)CCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000336869263 437299746 /nfs/dbraw/zinc/29/97/46/437299746.db2.gz ANGABYAXOOXPTE-UHFFFAOYSA-N 1 3 347.525 0.845 20 0 ECADHO O=C1c2ccccc2C(=O)N1CCNCCC[NH+]1CCC(O)CC1 ZINC000278938376 437358898 /nfs/dbraw/zinc/35/88/98/437358898.db2.gz XIJOXTWEVFEQIH-UHFFFAOYSA-N 1 3 331.416 0.719 20 0 ECADHO CC(C)[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)N1CCN(C)CC1 ZINC000185113244 437427067 /nfs/dbraw/zinc/42/70/67/437427067.db2.gz CMKPLSKNAXKADY-QGZVFWFLSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000185113244 437427071 /nfs/dbraw/zinc/42/70/71/437427071.db2.gz CMKPLSKNAXKADY-QGZVFWFLSA-N 1 3 339.528 0.994 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000339499841 437469772 /nfs/dbraw/zinc/46/97/72/437469772.db2.gz VDMIWBLSFHTWSD-UHFFFAOYSA-N 1 3 338.496 0.964 20 0 ECADHO C[NH+](C)CCOc1ccc(CCNC(=O)C[C@@H]2CNCCO2)cc1 ZINC000269269128 437477811 /nfs/dbraw/zinc/47/78/11/437477811.db2.gz RAVIWMBQOFQNBF-QGZVFWFLSA-N 1 3 335.448 0.664 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000339633757 437481921 /nfs/dbraw/zinc/48/19/21/437481921.db2.gz WPVCVUYVKCLUDU-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)[C@H](CN)C2CC2)cc1 ZINC000359981949 437498884 /nfs/dbraw/zinc/49/88/84/437498884.db2.gz BHTHKYKWCRCETC-MRXNPFEDSA-N 1 3 341.477 0.985 20 0 ECADHO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)[C@H](CN)C2CC2)cc1 ZINC000359981949 437498889 /nfs/dbraw/zinc/49/88/89/437498889.db2.gz BHTHKYKWCRCETC-MRXNPFEDSA-N 1 3 341.477 0.985 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000339667976 437488732 /nfs/dbraw/zinc/48/87/32/437488732.db2.gz MGTKTGYCDSPANW-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000339667976 437488737 /nfs/dbraw/zinc/48/87/37/437488737.db2.gz MGTKTGYCDSPANW-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000339667975 437489031 /nfs/dbraw/zinc/48/90/31/437489031.db2.gz MGTKTGYCDSPANW-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000339667975 437489035 /nfs/dbraw/zinc/48/90/35/437489035.db2.gz MGTKTGYCDSPANW-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000339671533 437491083 /nfs/dbraw/zinc/49/10/83/437491083.db2.gz TXTXUGJWUMLCRE-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000343303666 437551057 /nfs/dbraw/zinc/55/10/57/437551057.db2.gz UIBFWJKLHPXOHQ-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000343700847 437631462 /nfs/dbraw/zinc/63/14/62/437631462.db2.gz FFAZKBGFROYARG-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000343700847 437631466 /nfs/dbraw/zinc/63/14/66/437631466.db2.gz FFAZKBGFROYARG-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343781007 437655484 /nfs/dbraw/zinc/65/54/84/437655484.db2.gz MJOGYOUNUCZFNM-HNNXBMFYSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000343781007 437655488 /nfs/dbraw/zinc/65/54/88/437655488.db2.gz MJOGYOUNUCZFNM-HNNXBMFYSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000340480804 437661661 /nfs/dbraw/zinc/66/16/61/437661661.db2.gz VGINYNIRLGCCSB-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000340480804 437661665 /nfs/dbraw/zinc/66/16/65/437661665.db2.gz VGINYNIRLGCCSB-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000355407958 437706381 /nfs/dbraw/zinc/70/63/81/437706381.db2.gz DJAGRMYTJZZCKX-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000355407958 437706385 /nfs/dbraw/zinc/70/63/85/437706385.db2.gz DJAGRMYTJZZCKX-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N1CCN(CCC[N@H+](C)CCCN2CCN(C)CC2)CC1 ZINC000193001079 437700910 /nfs/dbraw/zinc/70/09/10/437700910.db2.gz XUAWTUMENRPQEO-UHFFFAOYSA-N 1 3 339.572 0.972 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+](C)CCCN2CCN(C)CC2)CC1 ZINC000193001079 437700914 /nfs/dbraw/zinc/70/09/14/437700914.db2.gz XUAWTUMENRPQEO-UHFFFAOYSA-N 1 3 339.572 0.972 20 0 ECADHO C[C@H](C(=O)NC(=O)NC1CC1)N(C)CCCN(C)CC[NH+](C)C ZINC000344033236 437720344 /nfs/dbraw/zinc/72/03/44/437720344.db2.gz FHXPFGVDNYTDDR-CYBMUJFWSA-N 1 3 327.473 0.178 20 0 ECADHO C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccn1 ZINC000362434033 437738258 /nfs/dbraw/zinc/73/82/58/437738258.db2.gz RAYNVLVAZTXBAK-HZPDHXFCSA-N 1 3 348.447 0.615 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000340821385 437744674 /nfs/dbraw/zinc/74/46/74/437744674.db2.gz MJKUSYNPGXZEQT-HNNXBMFYSA-N 1 3 326.485 0.720 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000340821385 437744678 /nfs/dbraw/zinc/74/46/78/437744678.db2.gz MJKUSYNPGXZEQT-HNNXBMFYSA-N 1 3 326.485 0.720 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000356542876 437784365 /nfs/dbraw/zinc/78/43/65/437784365.db2.gz GNCOUCLAGIJPCW-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000356542876 437784371 /nfs/dbraw/zinc/78/43/71/437784371.db2.gz GNCOUCLAGIJPCW-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423686419 437803231 /nfs/dbraw/zinc/80/32/31/437803231.db2.gz TYTZYFVEDUKXGC-XHSDSOJGSA-N 1 3 336.480 0.802 20 0 ECADHO CN(CCN)C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423708972 437807732 /nfs/dbraw/zinc/80/77/32/437807732.db2.gz NPALEMAEOGABPQ-IBGZPJMESA-N 1 3 344.459 0.528 20 0 ECADHO CN(CCN)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423708972 437807737 /nfs/dbraw/zinc/80/77/37/437807737.db2.gz NPALEMAEOGABPQ-IBGZPJMESA-N 1 3 344.459 0.528 20 0 ECADHO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423711968 437810364 /nfs/dbraw/zinc/81/03/64/437810364.db2.gz NJRZKHCZIKRADO-IAGOWNOFSA-N 1 3 344.459 0.588 20 0 ECADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000341188386 437812375 /nfs/dbraw/zinc/81/23/75/437812375.db2.gz DAAQQRYIWJRESU-OWCLPIDISA-N 1 3 326.485 0.861 20 0 ECADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)C[NH3+])c2)CC1 ZINC000415605796 437830276 /nfs/dbraw/zinc/83/02/76/437830276.db2.gz XOMILSJURLVCGI-CQSZACIVSA-N 1 3 347.463 0.619 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c2)CC1 ZINC000415803379 437861721 /nfs/dbraw/zinc/86/17/21/437861721.db2.gz IHRVESBNRNFXDZ-KGLIPLIRSA-N 1 3 347.463 0.619 20 0 ECADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357094425 437914375 /nfs/dbraw/zinc/91/43/75/437914375.db2.gz ZPBCDHKGNXBGFX-CJNGLKHVSA-N 1 3 336.480 0.420 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000357107864 437915129 /nfs/dbraw/zinc/91/51/29/437915129.db2.gz DSXUJFUVBRXDJI-CALCHBBNSA-N 1 3 340.512 0.630 20 0 ECADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000424298548 437921979 /nfs/dbraw/zinc/92/19/79/437921979.db2.gz DMCHDWPDWWFNOC-CHWSQXEVSA-N 1 3 348.403 0.965 20 0 ECADHO [NH3+][C@H]1CCc2ncc(NC(=O)NC[C@@H]3CCCN3CCCO)cc2C1 ZINC000415953281 437881732 /nfs/dbraw/zinc/88/17/32/437881732.db2.gz FJYUMJHYBQSKNB-HOCLYGCPSA-N 1 3 347.463 0.866 20 0 ECADHO O=C(NCc1ccc2c(c1)CNC2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424157284 437894503 /nfs/dbraw/zinc/89/45/03/437894503.db2.gz NCEHIYJJZNPGIX-HNNXBMFYSA-N 1 3 326.404 0.736 20 0 ECADHO COCCN1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424159031 437896810 /nfs/dbraw/zinc/89/68/10/437896810.db2.gz SCIZYDJDLGFHTJ-AWEZNQCLSA-N 1 3 336.440 0.043 20 0 ECADHO [NH3+]C1(CNC(=O)[C@H]2CNCCO2)CCN(Cc2ccccc2)CC1 ZINC000424207929 437900953 /nfs/dbraw/zinc/90/09/53/437900953.db2.gz XVHCAKMDVDOFPZ-MRXNPFEDSA-N 1 3 332.448 0.085 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)C[C@H]2N)cn1 ZINC000424223867 437905140 /nfs/dbraw/zinc/90/51/40/437905140.db2.gz ITMIVDGIUQIFKO-ZWKOTPCHSA-N 1 3 339.443 0.675 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000357072530 437905647 /nfs/dbraw/zinc/90/56/47/437905647.db2.gz HJEWHDKAHZJTDS-PBHICJAKSA-N 1 3 336.480 0.387 20 0 ECADHO C[NH2+]C[C@@H](C)C(=O)NCc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000371272004 437908198 /nfs/dbraw/zinc/90/81/98/437908198.db2.gz YOWXNVICDLJQCO-CYBMUJFWSA-N 1 3 336.484 0.342 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000341999181 437938570 /nfs/dbraw/zinc/93/85/70/437938570.db2.gz AAZXNTSZSRFMMT-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000341999181 437938577 /nfs/dbraw/zinc/93/85/77/437938577.db2.gz AAZXNTSZSRFMMT-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000342007094 437939719 /nfs/dbraw/zinc/93/97/19/437939719.db2.gz GVWMKMDGUVRXFF-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1)N(C)C1CC1 ZINC000342055066 437954770 /nfs/dbraw/zinc/95/47/70/437954770.db2.gz LPDVFCRBEZKQMP-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1)N(C)C1CC1 ZINC000342055063 437954814 /nfs/dbraw/zinc/95/48/14/437954814.db2.gz LPDVFCRBEZKQMP-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO COC[C@H](C)OC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365709931 437955456 /nfs/dbraw/zinc/95/54/56/437955456.db2.gz GETGEHLBCJLRND-JQHSSLGASA-N 1 3 343.512 0.499 20 0 ECADHO COC[C@H](C)OC[C@@H](O)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365709931 437955464 /nfs/dbraw/zinc/95/54/64/437955464.db2.gz GETGEHLBCJLRND-JQHSSLGASA-N 1 3 343.512 0.499 20 0 ECADHO CCN1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000365748768 437962164 /nfs/dbraw/zinc/96/21/64/437962164.db2.gz BWUPRFJRMMKMRA-IAGOWNOFSA-N 1 3 338.496 0.334 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)N(C)C1CC1 ZINC000424524628 437966184 /nfs/dbraw/zinc/96/61/84/437966184.db2.gz PUTZXNJZONKMPE-ZIAGYGMSSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)N(C)C1CC1 ZINC000342094442 437967350 /nfs/dbraw/zinc/96/73/50/437967350.db2.gz YPMYZGDKAKYUGG-FMKPAKJESA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)N(C)C1CC1 ZINC000342094442 437967354 /nfs/dbraw/zinc/96/73/54/437967354.db2.gz YPMYZGDKAKYUGG-FMKPAKJESA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000416830382 437995544 /nfs/dbraw/zinc/99/55/44/437995544.db2.gz GVAFJFIVJRNVER-DLBZAZTESA-N 1 3 334.464 0.837 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000416945290 438005654 /nfs/dbraw/zinc/00/56/54/438005654.db2.gz FEVUUZYFYKWCRN-HZPDHXFCSA-N 1 3 327.517 0.931 20 0 ECADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417450207 438051186 /nfs/dbraw/zinc/05/11/86/438051186.db2.gz BGQZWPBHBKXBNY-CHWSQXEVSA-N 1 3 335.452 0.513 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000416977543 438011766 /nfs/dbraw/zinc/01/17/66/438011766.db2.gz TZZPAJHSEWDJRE-INIZCTEOSA-N 1 3 336.436 0.496 20 0 ECADHO CCc1ccccc1[C@H](N)CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000417834251 438082492 /nfs/dbraw/zinc/08/24/92/438082492.db2.gz MRBSZSKSJATTKD-HZPDHXFCSA-N 1 3 332.448 0.623 20 0 ECADHO C[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)CN1CCN(C)CC1 ZINC000417754882 438076798 /nfs/dbraw/zinc/07/67/98/438076798.db2.gz QEXDQHGSZGEEHV-HNNXBMFYSA-N 1 3 325.501 0.831 20 0 ECADHO C[C@H]1NCCN(C(=O)NCc2ccncc2OCC[NH+](C)C)[C@@H]1C ZINC000418201171 438120610 /nfs/dbraw/zinc/12/06/10/438120610.db2.gz ZQHJTKFDUINAOW-ZIAGYGMSSA-N 1 3 335.452 0.914 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000430780964 438122424 /nfs/dbraw/zinc/12/24/24/438122424.db2.gz QOBXCUHNGJLLKU-JKSUJKDBSA-N 1 3 327.469 0.714 20 0 ECADHO O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CCCN(CCCO)C1 ZINC000418328407 438131990 /nfs/dbraw/zinc/13/19/90/438131990.db2.gz NVANPQUTXPGBNH-QGZVFWFLSA-N 1 3 349.479 0.707 20 0 ECADHO CC(C)C[C@H](NC(=O)NC1CCC([NH3+])CC1)C(=O)NCCN(C)C ZINC000418389835 438138514 /nfs/dbraw/zinc/13/85/14/438138514.db2.gz RYGHDNBLVRQXDS-NRXISQOPSA-N 1 3 341.500 0.648 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418469162 438149241 /nfs/dbraw/zinc/14/92/41/438149241.db2.gz JWPRCBNVXYQFJM-QAPCUYQASA-N 1 3 334.464 0.860 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000373436746 438150326 /nfs/dbraw/zinc/15/03/26/438150326.db2.gz WRNKGQXKVBYBNK-JKIFEVAISA-N 1 3 327.469 0.603 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000373436746 438150329 /nfs/dbraw/zinc/15/03/29/438150329.db2.gz WRNKGQXKVBYBNK-JKIFEVAISA-N 1 3 327.469 0.603 20 0 ECADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418717007 438177687 /nfs/dbraw/zinc/17/76/87/438177687.db2.gz HSPHEBKFYSKSNK-DZKIICNBSA-N 1 3 349.479 0.310 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000358101461 438151110 /nfs/dbraw/zinc/15/11/10/438151110.db2.gz RLQUONXMQXEWIR-HUUCEWRRSA-N 1 3 335.514 0.652 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358128418 438160728 /nfs/dbraw/zinc/16/07/28/438160728.db2.gz KIDGSYNMVYAQGA-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358128418 438160733 /nfs/dbraw/zinc/16/07/33/438160733.db2.gz KIDGSYNMVYAQGA-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000433148929 438227958 /nfs/dbraw/zinc/22/79/58/438227958.db2.gz SEVSLVWXHLZFHG-MRXNPFEDSA-N 1 3 334.464 0.825 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418877186 438232044 /nfs/dbraw/zinc/23/20/44/438232044.db2.gz NZOOHZJPWKZRDF-INIZCTEOSA-N 1 3 348.491 0.909 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433399319 438245219 /nfs/dbraw/zinc/24/52/19/438245219.db2.gz NZPLMLWVNNCGGG-CVEARBPZSA-N 1 3 342.484 0.507 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433399319 438245224 /nfs/dbraw/zinc/24/52/24/438245224.db2.gz NZPLMLWVNNCGGG-CVEARBPZSA-N 1 3 342.484 0.507 20 0 ECADHO C[C@]1(CNC(=O)C(=O)NCCC[NH3+])CCCN1Cc1ccccc1 ZINC000418818660 438200055 /nfs/dbraw/zinc/20/00/55/438200055.db2.gz NXUPKTUDNPUTNB-GOSISDBHSA-N 1 3 332.448 0.622 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N(C)Cc1ccccc1 ZINC000418946604 438262460 /nfs/dbraw/zinc/26/24/60/438262460.db2.gz NHSVTZIRKAKXJW-VYDXJSESSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C[C@H]1C[NH3+] ZINC000418990963 438274899 /nfs/dbraw/zinc/27/48/99/438274899.db2.gz WUURLOKCMPGHNF-WMLDXEAASA-N 1 3 346.475 0.808 20 0 ECADHO NC[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000419010115 438283614 /nfs/dbraw/zinc/28/36/14/438283614.db2.gz XEUIHCWJJOCIQV-KRWDZBQOSA-N 1 3 344.459 0.752 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419023129 438291488 /nfs/dbraw/zinc/29/14/88/438291488.db2.gz JDSNNWKEZNVLDA-ZIAGYGMSSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419024374 438293291 /nfs/dbraw/zinc/29/32/91/438293291.db2.gz KRUPXROZSYHRDD-RBSFLKMASA-N 1 3 338.496 0.727 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000419025759 438294230 /nfs/dbraw/zinc/29/42/30/438294230.db2.gz MUNLVDBSTIDPHC-OAGGEKHMSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419029225 438295440 /nfs/dbraw/zinc/29/54/40/438295440.db2.gz RHFRDSGCVBBGLX-XUWVNRHRSA-N 1 3 338.496 0.585 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000351819744 438345396 /nfs/dbraw/zinc/34/53/96/438345396.db2.gz BGTPBTZCYLVNBQ-LSDHHAIUSA-N 1 3 335.514 0.604 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000419145881 438347132 /nfs/dbraw/zinc/34/71/32/438347132.db2.gz ASXCNCUCWGVEFL-LSDHHAIUSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000419145881 438347135 /nfs/dbraw/zinc/34/71/35/438347135.db2.gz ASXCNCUCWGVEFL-LSDHHAIUSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N(C)C1CC1 ZINC000419576348 438363120 /nfs/dbraw/zinc/36/31/20/438363120.db2.gz CCOTUWXHUXUZJL-CJNGLKHVSA-N 1 3 336.480 0.576 20 0 ECADHO C[NH+](C)CCN1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000368693072 438367272 /nfs/dbraw/zinc/36/72/72/438367272.db2.gz QACDCEAKICBFFS-QGZVFWFLSA-N 1 3 328.476 0.905 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000419692766 438367534 /nfs/dbraw/zinc/36/75/34/438367534.db2.gz HFMMQHMHMSEYIZ-ILXRZTDVSA-N 1 3 336.480 0.563 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419785731 438372024 /nfs/dbraw/zinc/37/20/24/438372024.db2.gz ZIDRWZHZSWOVRO-HUUCEWRRSA-N 1 3 338.496 0.810 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419783971 438372070 /nfs/dbraw/zinc/37/20/70/438372070.db2.gz WCUGSACCUDOVBT-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCCN1C ZINC000352082161 438377067 /nfs/dbraw/zinc/37/70/67/438377067.db2.gz IAVJMHHFOQDAOR-ZBFHGGJFSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCN1C ZINC000352082161 438377071 /nfs/dbraw/zinc/37/70/71/438377071.db2.gz IAVJMHHFOQDAOR-ZBFHGGJFSA-N 1 3 326.485 0.957 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352097655 438381283 /nfs/dbraw/zinc/38/12/83/438381283.db2.gz VCYYTBPIQQVJNF-HLLBOEOZSA-N 1 3 340.512 0.960 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352097655 438381284 /nfs/dbraw/zinc/38/12/84/438381284.db2.gz VCYYTBPIQQVJNF-HLLBOEOZSA-N 1 3 340.512 0.960 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359361479 438419941 /nfs/dbraw/zinc/41/99/41/438419941.db2.gz ANCUAKAHHJAMJX-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000359274485 438400212 /nfs/dbraw/zinc/40/02/12/438400212.db2.gz OIZWSNCVQPXFLE-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1cc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)n2ncnc2n1 ZINC000420324292 438400864 /nfs/dbraw/zinc/40/08/64/438400864.db2.gz VCBUCCAFEQRWDQ-OAHLLOKOSA-N 1 3 329.452 0.944 20 0 ECADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000359324227 438413157 /nfs/dbraw/zinc/41/31/57/438413157.db2.gz QIJPONPHVXDIDW-GFCCVEGCSA-N 1 3 327.450 0.441 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000420628720 438415387 /nfs/dbraw/zinc/41/53/87/438415387.db2.gz PTWLMISLNLMNMP-AWEZNQCLSA-N 1 3 338.496 0.964 20 0 ECADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000352758025 438469989 /nfs/dbraw/zinc/46/99/89/438469989.db2.gz XLSWDPOQIBIMJN-JKSUJKDBSA-N 1 3 331.526 0.959 20 0 ECADHO CN1CCCN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000359752601 438489757 /nfs/dbraw/zinc/48/97/57/438489757.db2.gz XCOLLLJKTCTEBD-UHFFFAOYSA-N 1 3 335.452 0.869 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000369586678 438492847 /nfs/dbraw/zinc/49/28/47/438492847.db2.gz GRSXDUNRHWKHMA-HZPDHXFCSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000369586678 438492850 /nfs/dbraw/zinc/49/28/50/438492850.db2.gz GRSXDUNRHWKHMA-HZPDHXFCSA-N 1 3 337.512 0.938 20 0 ECADHO COCCC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000369660843 438501632 /nfs/dbraw/zinc/50/16/32/438501632.db2.gz MLKMCKHCWVETFV-MRXNPFEDSA-N 1 3 342.484 0.461 20 0 ECADHO COCCC[N@H+]1CCCN(C(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000369660843 438501637 /nfs/dbraw/zinc/50/16/37/438501637.db2.gz MLKMCKHCWVETFV-MRXNPFEDSA-N 1 3 342.484 0.461 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000422104137 438518974 /nfs/dbraw/zinc/51/89/74/438518974.db2.gz OJPQKAORUZLMAV-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000422112221 438520640 /nfs/dbraw/zinc/52/06/40/438520640.db2.gz DUJCFSLXGMSGFV-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422117368 438522519 /nfs/dbraw/zinc/52/25/19/438522519.db2.gz LRHHXKYXIZWEOY-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422117368 438522521 /nfs/dbraw/zinc/52/25/21/438522521.db2.gz LRHHXKYXIZWEOY-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[NH+]1CCC(C)CC1 ZINC000422262798 438538592 /nfs/dbraw/zinc/53/85/92/438538592.db2.gz ADHPBXRALHJPHZ-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)N2CCN(C)CC2)CC1 ZINC000353839183 438542171 /nfs/dbraw/zinc/54/21/71/438542171.db2.gz DYKBIHCVZORQSP-IAGOWNOFSA-N 1 3 339.528 0.012 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422626864 438595569 /nfs/dbraw/zinc/59/55/69/438595569.db2.gz LRTLFDQYCHEMST-UHFFFAOYSA-N 1 3 342.484 0.012 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422989073 438625550 /nfs/dbraw/zinc/62/55/50/438625550.db2.gz LNPMMVSVSVTARC-JYJNAYRXSA-N 1 3 348.495 0.997 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000423058361 438634592 /nfs/dbraw/zinc/63/45/92/438634592.db2.gz BXNPXUFGAKRXQO-HNNXBMFYSA-N 1 3 328.501 0.864 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000443067412 438638955 /nfs/dbraw/zinc/63/89/55/438638955.db2.gz GMPGZFBXNRGVNZ-INIZCTEOSA-N 1 3 338.496 0.956 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@H]1C ZINC000410723614 438642178 /nfs/dbraw/zinc/64/21/78/438642178.db2.gz GVJSXADNSAKUKS-GDBMZVCRSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@H]1C ZINC000410723614 438642182 /nfs/dbraw/zinc/64/21/82/438642182.db2.gz GVJSXADNSAKUKS-GDBMZVCRSA-N 1 3 338.496 0.870 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423150532 438642530 /nfs/dbraw/zinc/64/25/30/438642530.db2.gz IVXFYBGHLQVHJG-OAGGEKHMSA-N 1 3 334.464 0.141 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423234704 438651399 /nfs/dbraw/zinc/65/13/99/438651399.db2.gz FUPZTERTXJMYAL-INIZCTEOSA-N 1 3 332.448 0.656 20 0 ECADHO FC(F)(F)[C@H](CN[C@H](C1CC1)[C@H]1CNCCO1)N1CC[NH2+]CC1 ZINC000423381391 438669078 /nfs/dbraw/zinc/66/90/78/438669078.db2.gz FNBGOZVGXPHSDJ-HZSPNIEDSA-N 1 3 336.402 0.179 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423388231 438671047 /nfs/dbraw/zinc/67/10/47/438671047.db2.gz NIBTUHHJJXXAKT-JKSUJKDBSA-N 1 3 338.496 0.988 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423388231 438671050 /nfs/dbraw/zinc/67/10/50/438671050.db2.gz NIBTUHHJJXXAKT-JKSUJKDBSA-N 1 3 338.496 0.988 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423392182 438671194 /nfs/dbraw/zinc/67/11/94/438671194.db2.gz LHXREKJCSOBXHC-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)[C@H](C)C1 ZINC000410793518 438657468 /nfs/dbraw/zinc/65/74/68/438657468.db2.gz RBQGUFWHPBRHGP-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)[C@H](C)C1 ZINC000410793518 438657473 /nfs/dbraw/zinc/65/74/73/438657473.db2.gz RBQGUFWHPBRHGP-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C[C@H]1COc2ccccc2O1 ZINC000414675695 438714234 /nfs/dbraw/zinc/71/42/34/438714234.db2.gz GLMOXCNWAFDXHU-GJZGRUSLSA-N 1 3 333.432 0.956 20 0 ECADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C[C@H]1COc2ccccc2O1 ZINC000414675695 438714237 /nfs/dbraw/zinc/71/42/37/438714237.db2.gz GLMOXCNWAFDXHU-GJZGRUSLSA-N 1 3 333.432 0.956 20 0 ECADHO CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000414701972 438715782 /nfs/dbraw/zinc/71/57/82/438715782.db2.gz UPUMKQOICBQXGK-NVXWUHKLSA-N 1 3 344.459 0.921 20 0 ECADHO NC(=O)c1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414997078 438725905 /nfs/dbraw/zinc/72/59/05/438725905.db2.gz YDORHUSJOWEWSW-ZDUSSCGKSA-N 1 3 330.354 0.711 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415128710 438730016 /nfs/dbraw/zinc/73/00/16/438730016.db2.gz UEDUAABDIHNXCB-UHFFFAOYSA-N 1 3 348.422 0.964 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000575139072 438739781 /nfs/dbraw/zinc/73/97/81/438739781.db2.gz WCECTFFSTSVKIG-HOTGVXAUSA-N 1 3 338.496 0.681 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000553355027 438749631 /nfs/dbraw/zinc/74/96/31/438749631.db2.gz UZMNZFCMSKGZRI-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])N(C)C)cc1 ZINC000575733155 438753214 /nfs/dbraw/zinc/75/32/14/438753214.db2.gz GNVGCDSROBKPES-DLBZAZTESA-N 1 3 333.480 0.882 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000576130971 438769877 /nfs/dbraw/zinc/76/98/77/438769877.db2.gz JWXGGTRREUHEQJ-CYBMUJFWSA-N 1 3 334.420 0.645 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)CCN2C1=O ZINC000576481558 438785621 /nfs/dbraw/zinc/78/56/21/438785621.db2.gz ZZZRUSCXOLQLEN-BZUAXINKSA-N 1 3 336.480 0.835 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC([NH2+]CCOC)CC2)C1(C)C ZINC000514794753 438830850 /nfs/dbraw/zinc/83/08/50/438830850.db2.gz DCBNEPDRMCGZPL-PBHICJAKSA-N 1 3 327.469 0.746 20 0 ECADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000565002537 438903644 /nfs/dbraw/zinc/90/36/44/438903644.db2.gz GNJPPYMCCVTQIT-MRXNPFEDSA-N 1 3 328.420 0.715 20 0 ECADHO C[NH+]1CCC(CCNC(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000458282379 438868290 /nfs/dbraw/zinc/86/82/90/438868290.db2.gz MAKNHNIHSKGMHE-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1=O ZINC000595895401 438880097 /nfs/dbraw/zinc/88/00/97/438880097.db2.gz LNLQXJBFPNVCNV-PMPSAXMXSA-N 1 3 337.464 0.862 20 0 ECADHO C[C@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000458423296 438884801 /nfs/dbraw/zinc/88/48/01/438884801.db2.gz CEXFJWNNHPYAAX-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000458423296 438884805 /nfs/dbraw/zinc/88/48/05/438884805.db2.gz CEXFJWNNHPYAAX-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NCCC[NH+](C)C)c1 ZINC000589743276 438885932 /nfs/dbraw/zinc/88/59/32/438885932.db2.gz CKAZQMUBIDXZIN-UHFFFAOYSA-N 1 3 349.479 0.729 20 0 ECADHO CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC000565183648 438924040 /nfs/dbraw/zinc/92/40/40/438924040.db2.gz YCJMAZRKPMDOJR-OWCLPIDISA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC000565183648 438924044 /nfs/dbraw/zinc/92/40/44/438924044.db2.gz YCJMAZRKPMDOJR-OWCLPIDISA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000565183648 438924048 /nfs/dbraw/zinc/92/40/48/438924048.db2.gz YCJMAZRKPMDOJR-OWCLPIDISA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000565183648 438924051 /nfs/dbraw/zinc/92/40/51/438924051.db2.gz YCJMAZRKPMDOJR-OWCLPIDISA-N 1 3 338.496 0.681 20 0 ECADHO CCOC(=O)CC1([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCOCC1 ZINC000596103390 438924099 /nfs/dbraw/zinc/92/40/99/438924099.db2.gz KHNWPGRXNQGUJR-CQSZACIVSA-N 1 3 341.452 0.276 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000516857006 438930196 /nfs/dbraw/zinc/93/01/96/438930196.db2.gz VGPQHODRUVJKAD-CWVYHPPDSA-N 1 3 336.480 0.419 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COC[C@H]1OC ZINC000578645383 438942873 /nfs/dbraw/zinc/94/28/73/438942873.db2.gz JXPNSRNUFVKHHZ-BZUAXINKSA-N 1 3 342.484 0.458 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COC[C@H]1OC ZINC000578645383 438942879 /nfs/dbraw/zinc/94/28/79/438942879.db2.gz JXPNSRNUFVKHHZ-BZUAXINKSA-N 1 3 342.484 0.458 20 0 ECADHO CS(=O)(=O)N1CCC[C@@H](CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000517031526 438947606 /nfs/dbraw/zinc/94/76/06/438947606.db2.gz JNIJJCYCGGSWPJ-LSDHHAIUSA-N 1 3 345.509 0.345 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000517224865 438954733 /nfs/dbraw/zinc/95/47/33/438954733.db2.gz AWLFOCWDVCVXCG-MRXNPFEDSA-N 1 3 349.479 0.411 20 0 ECADHO COC(=O)[C@H]1CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000579072613 438978175 /nfs/dbraw/zinc/97/81/75/438978175.db2.gz IJSRWGYXSQGSEP-UONOGXRCSA-N 1 3 328.457 0.463 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000579212208 438990057 /nfs/dbraw/zinc/99/00/57/438990057.db2.gz JEXYKIJRICVKMY-MRXNPFEDSA-N 1 3 332.448 0.562 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)C1=CCN(C)CC1 ZINC000579227581 438990401 /nfs/dbraw/zinc/99/04/01/438990401.db2.gz RAJWDAKZIJFZQQ-HUUCEWRRSA-N 1 3 348.491 0.744 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CCC1 ZINC000579216195 438991756 /nfs/dbraw/zinc/99/17/56/438991756.db2.gz UHVRUROJQYZNOY-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000566092050 439005240 /nfs/dbraw/zinc/00/52/40/439005240.db2.gz ZAAXONNEVJOLPI-OAHLLOKOSA-N 1 3 326.485 0.764 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000518753917 439008475 /nfs/dbraw/zinc/00/84/75/439008475.db2.gz WYDVCHWXTJFVNO-CVEARBPZSA-N 1 3 334.464 0.141 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C[C@@H]21 ZINC000459956653 439043516 /nfs/dbraw/zinc/04/35/16/439043516.db2.gz QPZMEYHGYXGKBG-SJORKVTESA-N 1 3 348.491 0.483 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C[C@@H]21 ZINC000460016323 439057509 /nfs/dbraw/zinc/05/75/09/439057509.db2.gz MTWFOTZEIFFGQF-PMPSAXMXSA-N 1 3 334.464 0.236 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000579462168 439011624 /nfs/dbraw/zinc/01/16/24/439011624.db2.gz MYSKTKFYHAWITH-LTIDMASMSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000566228396 439030268 /nfs/dbraw/zinc/03/02/68/439030268.db2.gz OOOBHWWIUZMDIE-CHWSQXEVSA-N 1 3 336.436 0.808 20 0 ECADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000566258346 439034673 /nfs/dbraw/zinc/03/46/73/439034673.db2.gz SRSWBFKQEOZJQM-PBHICJAKSA-N 1 3 340.431 0.901 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](O)COC)CC2)CC1 ZINC000519550206 439040015 /nfs/dbraw/zinc/04/00/15/439040015.db2.gz KADSHGUWYWKHOM-MRXNPFEDSA-N 1 3 327.469 0.306 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)c1 ZINC000602476664 439094526 /nfs/dbraw/zinc/09/45/26/439094526.db2.gz UEBSWFQEZLZAOO-HSZRJFAPSA-N 1 3 337.489 0.865 20 0 ECADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000521010158 439102442 /nfs/dbraw/zinc/10/24/42/439102442.db2.gz ORAGJMIXJIUSCG-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000479292805 439115988 /nfs/dbraw/zinc/11/59/88/439115988.db2.gz BMTRKUYUAFCNBR-OCVGTWLNSA-N 1 3 325.453 0.057 20 0 ECADHO C[C@H]([NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)C1=CCN(C)CC1 ZINC000567709970 439170257 /nfs/dbraw/zinc/17/02/57/439170257.db2.gz DYFKGXYMDPCGOD-ZFWWWQNUSA-N 1 3 343.427 0.884 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000522138517 439145561 /nfs/dbraw/zinc/14/55/61/439145561.db2.gz VZANETXGEXXTAV-MRXNPFEDSA-N 1 3 332.448 0.546 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000522138517 439145566 /nfs/dbraw/zinc/14/55/66/439145566.db2.gz VZANETXGEXXTAV-MRXNPFEDSA-N 1 3 332.448 0.546 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCC2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567469715 439145598 /nfs/dbraw/zinc/14/55/98/439145598.db2.gz YNJMCBQUWYGCMK-HNNXBMFYSA-N 1 3 326.404 0.928 20 0 ECADHO CN(C/C=C\C[N@H+](C)CCN1CCCC1=O)CCN1CCCC1=O ZINC000602886938 439152276 /nfs/dbraw/zinc/15/22/76/439152276.db2.gz XINIYVTWAFUNMY-ARJAWSKDSA-N 1 3 336.480 0.651 20 0 ECADHO CN(C/C=C\C[N@@H+](C)CCN1CCCC1=O)CCN1CCCC1=O ZINC000602886938 439152281 /nfs/dbraw/zinc/15/22/81/439152281.db2.gz XINIYVTWAFUNMY-ARJAWSKDSA-N 1 3 336.480 0.651 20 0 ECADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581776963 439252212 /nfs/dbraw/zinc/25/22/12/439252212.db2.gz IZNSZYNWPZGYBI-HUUCEWRRSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581776963 439252218 /nfs/dbraw/zinc/25/22/18/439252218.db2.gz IZNSZYNWPZGYBI-HUUCEWRRSA-N 1 3 325.501 0.781 20 0 ECADHO COC(=O)CCN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C[C@H]1C ZINC000592566776 439255077 /nfs/dbraw/zinc/25/50/77/439255077.db2.gz XMCSMWLWJMKFQV-OLZOCXBDSA-N 1 3 349.435 0.196 20 0 ECADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCOCC[NH+](C)C)C[C@@H](C)C1 ZINC000490225128 439259968 /nfs/dbraw/zinc/25/99/68/439259968.db2.gz UJRWJZHMFVBGNC-HRCADAONSA-N 1 3 326.485 0.936 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000569573836 439346296 /nfs/dbraw/zinc/34/62/96/439346296.db2.gz BUAOAPDSPZPCRR-TZMCWYRMSA-N 1 3 348.447 0.891 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCNC(C)=O)CC2)CC1 ZINC000569865539 439371121 /nfs/dbraw/zinc/37/11/21/439371121.db2.gz YXDYZCBZSVVZPS-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000582716030 439371235 /nfs/dbraw/zinc/37/12/35/439371235.db2.gz WETDOVDZASBLON-RDTXWAMCSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000569941909 439378743 /nfs/dbraw/zinc/37/87/43/439378743.db2.gz OETVQCICJUOSFK-ZFWWWQNUSA-N 1 3 328.420 0.802 20 0 ECADHO COCCN(C)C[C@@H](O)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000583032083 439411619 /nfs/dbraw/zinc/41/16/19/439411619.db2.gz JMVCAPDFZRBGKL-QZTJIDSGSA-N 1 3 342.528 0.027 20 0 ECADHO COCCN(C)C[C@@H](O)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000583032083 439411622 /nfs/dbraw/zinc/41/16/22/439411622.db2.gz JMVCAPDFZRBGKL-QZTJIDSGSA-N 1 3 342.528 0.027 20 0 ECADHO CN1CCN(CCCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000570359678 439414971 /nfs/dbraw/zinc/41/49/71/439414971.db2.gz MGCPSOASWRJTMH-UHFFFAOYSA-N 1 3 344.459 0.900 20 0 ECADHO C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@@H](C)C1 ZINC000583142470 439425302 /nfs/dbraw/zinc/42/53/02/439425302.db2.gz YBCKQFGOXZFXCT-ILXRZTDVSA-N 1 3 334.468 0.880 20 0 ECADHO CNC(=O)C1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000607237888 439445281 /nfs/dbraw/zinc/44/52/81/439445281.db2.gz VDMQDUNPGRXMTE-UHFFFAOYSA-N 1 3 341.500 0.426 20 0 ECADHO C[NH+](C)CCOc1ccccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583332967 439452218 /nfs/dbraw/zinc/45/22/18/439452218.db2.gz ARMXWFIUMZWJHW-UKRRQHHQSA-N 1 3 346.431 0.011 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000570913032 439461068 /nfs/dbraw/zinc/46/10/68/439461068.db2.gz XUMHZOICBRQAMF-OWCLPIDISA-N 1 3 336.480 0.578 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000583440899 439465066 /nfs/dbraw/zinc/46/50/66/439465066.db2.gz CSEQNFFPNYBNKQ-QGZVFWFLSA-N 1 3 346.475 0.919 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000583440899 439465070 /nfs/dbraw/zinc/46/50/70/439465070.db2.gz CSEQNFFPNYBNKQ-QGZVFWFLSA-N 1 3 346.475 0.919 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000571269180 439490528 /nfs/dbraw/zinc/49/05/28/439490528.db2.gz DSZVDCNUBCAJAV-RVKKMQEKSA-N 1 3 336.480 0.435 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000530210000 439491126 /nfs/dbraw/zinc/49/11/26/439491126.db2.gz JLIOZKHAAYTMNV-GOEBONIOSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC2CNC2)C1 ZINC000584043360 439542753 /nfs/dbraw/zinc/54/27/53/439542753.db2.gz FCFUSQOPKAWKQS-AWEZNQCLSA-N 1 3 344.459 0.623 20 0 ECADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC2CNC2)C1 ZINC000584043360 439542759 /nfs/dbraw/zinc/54/27/59/439542759.db2.gz FCFUSQOPKAWKQS-AWEZNQCLSA-N 1 3 344.459 0.623 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCn3cncn3)CC2)CC1 ZINC000572421138 439581265 /nfs/dbraw/zinc/58/12/65/439581265.db2.gz UWJOACVYOSCRFJ-UHFFFAOYSA-N 1 3 334.468 0.591 20 0 ECADHO [NH3+]CCc1ccccc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000584656446 439607523 /nfs/dbraw/zinc/60/75/23/439607523.db2.gz ZSEKVOROXJLLPV-UHFFFAOYSA-N 1 3 344.459 0.568 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[N@H+](CC)C[C@@H]3C)C2)CC1 ZINC000610678933 439639056 /nfs/dbraw/zinc/63/90/56/439639056.db2.gz GTLCVZZPZGMWDZ-GVDBMIGSSA-N 1 3 337.512 0.748 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[N@@H+](CC)C[C@@H]3C)C2)CC1 ZINC000610678933 439639059 /nfs/dbraw/zinc/63/90/59/439639059.db2.gz GTLCVZZPZGMWDZ-GVDBMIGSSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C1=CCN(C)CC1 ZINC000573526353 439650738 /nfs/dbraw/zinc/65/07/38/439650738.db2.gz AYDQTJYWCYPFHQ-OAHLLOKOSA-N 1 3 348.491 0.840 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000572961079 439620537 /nfs/dbraw/zinc/62/05/37/439620537.db2.gz YDHQWAWFEPDHST-RHSMWYFYSA-N 1 3 346.475 0.918 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000574412689 439703450 /nfs/dbraw/zinc/70/34/50/439703450.db2.gz DNGKLEBFZMENGV-RDJZCZTQSA-N 1 3 346.475 0.820 20 0 ECADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCCC1 ZINC000595261238 439683303 /nfs/dbraw/zinc/68/33/03/439683303.db2.gz NADCCRASMHHOMV-KBPBESRZSA-N 1 3 337.468 0.204 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574268959 439694126 /nfs/dbraw/zinc/69/41/26/439694126.db2.gz NUYVVZSKBRULDA-MAUKXSAKSA-N 1 3 336.480 0.389 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000612547025 439727632 /nfs/dbraw/zinc/72/76/32/439727632.db2.gz YBAPMTYYQMFRQG-JKSUJKDBSA-N 1 3 338.496 0.681 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000612547025 439727633 /nfs/dbraw/zinc/72/76/33/439727633.db2.gz YBAPMTYYQMFRQG-JKSUJKDBSA-N 1 3 338.496 0.681 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CCN(CC)C1 ZINC000611848873 439733020 /nfs/dbraw/zinc/73/30/20/439733020.db2.gz IOJHMTJMCFYHHL-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CCN(C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(CC)C1 ZINC000611955844 439739071 /nfs/dbraw/zinc/73/90/71/439739071.db2.gz LFFHSRPBLIHBAR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(CC)C1 ZINC000611955844 439739073 /nfs/dbraw/zinc/73/90/73/439739073.db2.gz LFFHSRPBLIHBAR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCN(CCC(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000615261516 439797282 /nfs/dbraw/zinc/79/72/82/439797282.db2.gz DDLKOIMUUNNDIF-IRXDYDNUSA-N 1 3 338.496 0.336 20 0 ECADHO CCN1CCN(CCC(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)CC1 ZINC000615261516 439797283 /nfs/dbraw/zinc/79/72/83/439797283.db2.gz DDLKOIMUUNNDIF-IRXDYDNUSA-N 1 3 338.496 0.336 20 0 ECADHO CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000615277656 439798399 /nfs/dbraw/zinc/79/83/99/439798399.db2.gz XNUKTEBIUQMTAZ-JKSUJKDBSA-N 1 3 335.452 0.380 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000615617202 439803175 /nfs/dbraw/zinc/80/31/75/439803175.db2.gz VDGXAQWZNPKJHR-YJBOKZPZSA-N 1 3 336.480 0.341 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000615617202 439803176 /nfs/dbraw/zinc/80/31/76/439803176.db2.gz VDGXAQWZNPKJHR-YJBOKZPZSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)CC[N@@H+]1C ZINC000652460979 439860220 /nfs/dbraw/zinc/86/02/20/439860220.db2.gz LDKNABXIDAGNGL-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)CC[N@H+]1C ZINC000652460979 439860227 /nfs/dbraw/zinc/86/02/27/439860227.db2.gz LDKNABXIDAGNGL-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000652484178 439866839 /nfs/dbraw/zinc/86/68/39/439866839.db2.gz PYHHCCCCUSUOBK-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000662759422 439879636 /nfs/dbraw/zinc/87/96/36/439879636.db2.gz WFDPHYWWUIABPR-TZMCWYRMSA-N 1 3 336.402 0.528 20 0 ECADHO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCNC2 ZINC000662659940 439838152 /nfs/dbraw/zinc/83/81/52/439838152.db2.gz QNWSUJFHGRVSLQ-UHFFFAOYSA-N 1 3 338.477 0.486 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662687425 439846812 /nfs/dbraw/zinc/84/68/12/439846812.db2.gz XXZVYZGWTHJHTM-GJZGRUSLSA-N 1 3 332.404 0.154 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000652459433 439855558 /nfs/dbraw/zinc/85/55/58/439855558.db2.gz RDBJIKCOKSADGT-CVEARBPZSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000652459433 439855562 /nfs/dbraw/zinc/85/55/62/439855562.db2.gz RDBJIKCOKSADGT-CVEARBPZSA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662717706 439858052 /nfs/dbraw/zinc/85/80/52/439858052.db2.gz RFAKGKMJDLKROF-IRXDYDNUSA-N 1 3 335.448 0.650 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000641820408 439924138 /nfs/dbraw/zinc/92/41/38/439924138.db2.gz CEVHFEDIIKVRJV-UHFFFAOYSA-N 1 3 336.436 0.939 20 0 ECADHO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626791752 439883582 /nfs/dbraw/zinc/88/35/82/439883582.db2.gz YMCSNJVALQVUBL-UHFFFAOYSA-N 1 3 346.431 0.709 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc2c1CCNC2 ZINC000662776763 439885886 /nfs/dbraw/zinc/88/58/86/439885886.db2.gz ZQUVRQGPNMHUNK-HNNXBMFYSA-N 1 3 344.459 0.792 20 0 ECADHO CN(C)CCn1cc(NC(=O)N2CCC(OCCC[NH3+])CC2)cn1 ZINC000652612142 439891770 /nfs/dbraw/zinc/89/17/70/439891770.db2.gz JVBMMUPHNDNJNW-UHFFFAOYSA-N 1 3 338.456 0.806 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000617507576 439901391 /nfs/dbraw/zinc/90/13/91/439901391.db2.gz AVBWAYRHSMQMDE-NSHDSACASA-N 1 3 334.424 0.665 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000617507576 439901396 /nfs/dbraw/zinc/90/13/96/439901396.db2.gz AVBWAYRHSMQMDE-NSHDSACASA-N 1 3 334.424 0.665 20 0 ECADHO CO[C@@H]1COCC[C@H]1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507911 439903390 /nfs/dbraw/zinc/90/33/90/439903390.db2.gz OLJAHJJFQDHBCP-HRCADAONSA-N 1 3 329.485 0.816 20 0 ECADHO CO[C@@H]1COCC[C@H]1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507911 439903392 /nfs/dbraw/zinc/90/33/92/439903392.db2.gz OLJAHJJFQDHBCP-HRCADAONSA-N 1 3 329.485 0.816 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662835713 439910041 /nfs/dbraw/zinc/91/00/41/439910041.db2.gz RPJJMICWKZYRIW-IIAWOOMASA-N 1 3 332.452 0.949 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000641801458 439917655 /nfs/dbraw/zinc/91/76/55/439917655.db2.gz CJWNFHLPHIKHLV-QLFBSQMISA-N 1 3 326.485 0.175 20 0 ECADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000641803608 439919296 /nfs/dbraw/zinc/91/92/96/439919296.db2.gz UHZPOCPIIPGCEP-KBPBESRZSA-N 1 3 332.452 0.231 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000636619654 439965575 /nfs/dbraw/zinc/96/55/75/439965575.db2.gz JOUJXUSYDMDYRP-ZBFHGGJFSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000626964009 439974075 /nfs/dbraw/zinc/97/40/75/439974075.db2.gz HGLZPUUPRIWMRN-ZNMIVQPWSA-N 1 3 339.484 0.369 20 0 ECADHO COCC1(CNC(=O)[C@H]2CCCN2C2CCOCC2)CC[NH2+]CC1 ZINC000647038091 439976982 /nfs/dbraw/zinc/97/69/82/439976982.db2.gz RKVPWVHLRMFPHG-MRXNPFEDSA-N 1 3 339.480 0.762 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[C@H](CN)C1 ZINC000662983433 439978792 /nfs/dbraw/zinc/97/87/92/439978792.db2.gz CGCNFKGUJZBBCM-PMPSAXMXSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[C@H](CN)C1 ZINC000662983433 439978798 /nfs/dbraw/zinc/97/87/98/439978798.db2.gz CGCNFKGUJZBBCM-PMPSAXMXSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[C@H](CN)C1 ZINC000662983662 439978844 /nfs/dbraw/zinc/97/88/44/439978844.db2.gz KYANQWMJEFVSBE-FXUDXRNXSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[C@H](CN)C1 ZINC000662983662 439978849 /nfs/dbraw/zinc/97/88/49/439978849.db2.gz KYANQWMJEFVSBE-FXUDXRNXSA-N 1 3 336.480 0.515 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662982967 439979325 /nfs/dbraw/zinc/97/93/25/439979325.db2.gz GYRGLUHAXHULDS-PMPSAXMXSA-N 1 3 338.496 0.763 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662982967 439979330 /nfs/dbraw/zinc/97/93/30/439979330.db2.gz GYRGLUHAXHULDS-PMPSAXMXSA-N 1 3 338.496 0.763 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000626987119 439979681 /nfs/dbraw/zinc/97/96/81/439979681.db2.gz XTOFHONKFCHEPY-HOTGVXAUSA-N 1 3 337.512 0.844 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626986585 439979729 /nfs/dbraw/zinc/97/97/29/439979729.db2.gz KJRWEZYPJUKGOH-OAGGEKHMSA-N 1 3 325.501 0.700 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@H](CN)C1 ZINC000662983663 439979811 /nfs/dbraw/zinc/97/98/11/439979811.db2.gz KYANQWMJEFVSBE-LVQVYYBASA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@H](CN)C1 ZINC000662983663 439979818 /nfs/dbraw/zinc/97/98/18/439979818.db2.gz KYANQWMJEFVSBE-LVQVYYBASA-N 1 3 336.480 0.515 20 0 ECADHO [NH3+]CC1(CCNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000652710979 439936253 /nfs/dbraw/zinc/93/62/53/439936253.db2.gz HMCGVOULWATLMD-UHFFFAOYSA-N 1 3 336.480 0.709 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2CCN(C)C)C[NH2+]1 ZINC000626891871 439942894 /nfs/dbraw/zinc/94/28/94/439942894.db2.gz COBNHBDMAWWOLD-HIFRSBDPSA-N 1 3 332.448 0.986 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)CC1=O ZINC000662923758 439946446 /nfs/dbraw/zinc/94/64/46/439946446.db2.gz ZOCANCLOYILUTO-QRHJNKNDSA-N 1 3 334.464 0.187 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662927392 439948934 /nfs/dbraw/zinc/94/89/34/439948934.db2.gz XXAKAOMOPLNCHJ-UHFFFAOYSA-N 1 3 338.496 0.763 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000662937006 439952290 /nfs/dbraw/zinc/95/22/90/439952290.db2.gz DOUNZUVXAKDSQQ-INIZCTEOSA-N 1 3 332.448 0.527 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626932072 439961995 /nfs/dbraw/zinc/96/19/95/439961995.db2.gz IIECTMKEHVGEMT-GOSISDBHSA-N 1 3 345.491 0.985 20 0 ECADHO CCC[NH2+][C@H](C)C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016685 439989993 /nfs/dbraw/zinc/98/99/93/439989993.db2.gz DTVVAIGQWLXWLV-CABCVRRESA-N 1 3 348.495 0.913 20 0 ECADHO CN1CCC(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000647083034 439992090 /nfs/dbraw/zinc/99/20/90/439992090.db2.gz RQRAEJTXQDOSAE-UHFFFAOYSA-N 1 3 338.496 0.827 20 0 ECADHO [NH3+]CCCCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017378 439993492 /nfs/dbraw/zinc/99/34/92/439993492.db2.gz JQBXZIBLZBQKTH-AWEZNQCLSA-N 1 3 334.468 0.654 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCNC[C@H]1c1ccccc1 ZINC000631943808 439999194 /nfs/dbraw/zinc/99/91/94/439999194.db2.gz GGRCAAZZCCPRHW-INIZCTEOSA-N 1 3 338.477 0.562 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCc2ccccc2[C@@H]1CN ZINC000631947237 440002415 /nfs/dbraw/zinc/00/24/15/440002415.db2.gz XRTBFTGCLWIMLO-INIZCTEOSA-N 1 3 338.477 0.473 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000627103798 440006953 /nfs/dbraw/zinc/00/69/53/440006953.db2.gz NIIYFGARGFFNFZ-OAHLLOKOSA-N 1 3 340.468 0.261 20 0 ECADHO [NH3+]CCCOCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000627112401 440010913 /nfs/dbraw/zinc/01/09/13/440010913.db2.gz KZWWQOXPODSRSK-UHFFFAOYSA-N 1 3 349.479 0.958 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000642724518 440016160 /nfs/dbraw/zinc/01/61/60/440016160.db2.gz SSUQTCFUSPNFIU-XJKSGUPXSA-N 1 3 338.496 0.857 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[C@H]1[NH3+] ZINC000642768948 440029614 /nfs/dbraw/zinc/02/96/14/440029614.db2.gz UBPRJHCLTOXPDY-IOASZLSFSA-N 1 3 342.509 0.126 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000636869473 440072479 /nfs/dbraw/zinc/07/24/79/440072479.db2.gz MSOUCTGPSAHISW-KEYYUXOJSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000636869473 440072483 /nfs/dbraw/zinc/07/24/83/440072483.db2.gz MSOUCTGPSAHISW-KEYYUXOJSA-N 1 3 348.491 0.861 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653122895 440075418 /nfs/dbraw/zinc/07/54/18/440075418.db2.gz HAQOYLDOIMWUOG-YOEHRIQHSA-N 1 3 325.453 0.228 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C[NH2+]1 ZINC000627208850 440045755 /nfs/dbraw/zinc/04/57/55/440045755.db2.gz ZNPTZZUKGNWUQZ-CABCVRRESA-N 1 3 339.484 0.418 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000642911775 440059161 /nfs/dbraw/zinc/05/91/61/440059161.db2.gz YOFWHXVKYNJVND-PMPSAXMXSA-N 1 3 336.480 0.849 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627311789 440116306 /nfs/dbraw/zinc/11/63/06/440116306.db2.gz HRPUMFGXOOGHMZ-AWEZNQCLSA-N 1 3 342.484 0.047 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627320364 440120534 /nfs/dbraw/zinc/12/05/34/440120534.db2.gz ZMZYJRJMINFCSS-CABCVRRESA-N 1 3 336.480 0.768 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000637002354 440125393 /nfs/dbraw/zinc/12/53/93/440125393.db2.gz RNOXHYKPYNAVNF-HNNXBMFYSA-N 1 3 325.501 0.844 20 0 ECADHO CC(C)N(C)CC(=O)N[C@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000647729278 440128767 /nfs/dbraw/zinc/12/87/67/440128767.db2.gz SXQBCSFJLCWTDX-QGZVFWFLSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N[C@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000647729278 440128771 /nfs/dbraw/zinc/12/87/71/440128771.db2.gz SXQBCSFJLCWTDX-QGZVFWFLSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC000647729278 440128777 /nfs/dbraw/zinc/12/87/77/440128777.db2.gz SXQBCSFJLCWTDX-QGZVFWFLSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000647729278 440128783 /nfs/dbraw/zinc/12/87/83/440128783.db2.gz SXQBCSFJLCWTDX-QGZVFWFLSA-N 1 3 326.485 0.774 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000627333007 440129149 /nfs/dbraw/zinc/12/91/49/440129149.db2.gz QQHKELUNVNWDGN-KRWDZBQOSA-N 1 3 346.475 0.474 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000627333007 440129157 /nfs/dbraw/zinc/12/91/57/440129157.db2.gz QQHKELUNVNWDGN-KRWDZBQOSA-N 1 3 346.475 0.474 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000637014873 440130815 /nfs/dbraw/zinc/13/08/15/440130815.db2.gz JSHSMTQGDITDBN-HUUCEWRRSA-N 1 3 337.468 0.077 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000627338341 440133317 /nfs/dbraw/zinc/13/33/17/440133317.db2.gz CGYYMLFCXLTZHM-UHFFFAOYSA-N 1 3 336.436 0.050 20 0 ECADHO CCN1CCN([C@H](C)CNS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632254732 440135584 /nfs/dbraw/zinc/13/55/84/440135584.db2.gz WYDZEROFFKDWSJ-MRXNPFEDSA-N 1 3 346.541 0.418 20 0 ECADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663640991 440139684 /nfs/dbraw/zinc/13/96/84/440139684.db2.gz IYHAIOICNMRTCP-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CCN(C(=O)C(=O)N(C)CC1CC[NH+](C)CC1)[C@H]1CCN(CC)C1 ZINC000658827915 440142194 /nfs/dbraw/zinc/14/21/94/440142194.db2.gz YILJGSVFVRIDOW-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000658731796 440092562 /nfs/dbraw/zinc/09/25/62/440092562.db2.gz HKNYRVBVZGJZQM-DLBZAZTESA-N 1 3 348.491 0.770 20 0 ECADHO C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)N1CCCCCC1 ZINC000618305632 440099548 /nfs/dbraw/zinc/09/95/48/440099548.db2.gz AUSRAJJGRZOTPA-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000627311562 440114513 /nfs/dbraw/zinc/11/45/13/440114513.db2.gz BTLDHPYASASPOM-ZIAGYGMSSA-N 1 3 326.485 0.666 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643503533 440189377 /nfs/dbraw/zinc/18/93/77/440189377.db2.gz RFNRNOVAGGXEOV-WBVHZDCISA-N 1 3 348.491 0.674 20 0 ECADHO CC[N@H+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1CC1 ZINC000663919481 440198528 /nfs/dbraw/zinc/19/85/28/440198528.db2.gz CMRGKEXOGXUKGY-UHFFFAOYSA-N 1 3 327.473 0.132 20 0 ECADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1CC1 ZINC000663919481 440198534 /nfs/dbraw/zinc/19/85/34/440198534.db2.gz CMRGKEXOGXUKGY-UHFFFAOYSA-N 1 3 327.473 0.132 20 0 ECADHO CCN(CCN)C(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627357140 440149518 /nfs/dbraw/zinc/14/95/18/440149518.db2.gz YLKMJJLTXJUYMQ-WBVHZDCISA-N 1 3 346.475 0.820 20 0 ECADHO CCN(CCN)C(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627357140 440149523 /nfs/dbraw/zinc/14/95/23/440149523.db2.gz YLKMJJLTXJUYMQ-WBVHZDCISA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643591817 440215175 /nfs/dbraw/zinc/21/51/75/440215175.db2.gz ODBLOKCDXMACGW-GDBMZVCRSA-N 1 3 345.447 0.459 20 0 ECADHO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659073382 440227402 /nfs/dbraw/zinc/22/74/02/440227402.db2.gz NFUYQMQRNCOPQP-HNNXBMFYSA-N 1 3 348.447 0.790 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC000627478499 440231002 /nfs/dbraw/zinc/23/10/02/440231002.db2.gz NUPZLHBPKXVDDC-FPCVCCKLSA-N 1 3 336.480 0.717 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627442500 440206892 /nfs/dbraw/zinc/20/68/92/440206892.db2.gz LHTVLCVVRXYAIT-AWEZNQCLSA-N 1 3 334.464 0.474 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000659102795 440251280 /nfs/dbraw/zinc/25/12/80/440251280.db2.gz IPAISZRZLREPPC-KBPBESRZSA-N 1 3 345.447 0.437 20 0 ECADHO COCCNCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000659355790 440302852 /nfs/dbraw/zinc/30/28/52/440302852.db2.gz OQWFZROJZWFEKT-UKRRQHHQSA-N 1 3 339.411 0.632 20 0 ECADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000654381458 440302976 /nfs/dbraw/zinc/30/29/76/440302976.db2.gz MVMSXJCGICPMIA-DLBZAZTESA-N 1 3 332.448 0.709 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC2CCN(C)CC2)C1 ZINC000659356359 440305260 /nfs/dbraw/zinc/30/52/60/440305260.db2.gz BDLPQLCHIOFTAP-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664409080 440305387 /nfs/dbraw/zinc/30/53/87/440305387.db2.gz SOMOFPSWDULHDA-COXVUDFISA-N 1 3 336.480 0.710 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664409080 440305391 /nfs/dbraw/zinc/30/53/91/440305391.db2.gz SOMOFPSWDULHDA-COXVUDFISA-N 1 3 336.480 0.710 20 0 ECADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664409344 440305499 /nfs/dbraw/zinc/30/54/99/440305499.db2.gz UNNPFSOOZLKWTO-DZGCQCFKSA-N 1 3 339.484 0.131 20 0 ECADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664409344 440305502 /nfs/dbraw/zinc/30/55/02/440305502.db2.gz UNNPFSOOZLKWTO-DZGCQCFKSA-N 1 3 339.484 0.131 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000654405105 440310364 /nfs/dbraw/zinc/31/03/64/440310364.db2.gz DHFWVQYARHZXNY-UHFFFAOYSA-N 1 3 328.420 0.802 20 0 ECADHO CN(C)CCC[N@H+](C)CCNc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000664248467 440269505 /nfs/dbraw/zinc/26/95/05/440269505.db2.gz XVEWENAUOXMRFG-UHFFFAOYSA-N 1 3 349.483 0.050 20 0 ECADHO CN(C)CCC[N@@H+](C)CCNc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000664248467 440269510 /nfs/dbraw/zinc/26/95/10/440269510.db2.gz XVEWENAUOXMRFG-UHFFFAOYSA-N 1 3 349.483 0.050 20 0 ECADHO CN1CC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000654509787 440338101 /nfs/dbraw/zinc/33/81/01/440338101.db2.gz NFBOETGMIVMVNL-XWTMOSNGSA-N 1 3 344.459 0.892 20 0 ECADHO CN1CC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000654509787 440338105 /nfs/dbraw/zinc/33/81/05/440338105.db2.gz NFBOETGMIVMVNL-XWTMOSNGSA-N 1 3 344.459 0.892 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3CC[C@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000637821430 440343236 /nfs/dbraw/zinc/34/32/36/440343236.db2.gz BGWQKHXIDZOVJP-GFCCVEGCSA-N 1 3 331.420 0.724 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)NCC12CC(C1)C[NH2+]2 ZINC000659609981 440373452 /nfs/dbraw/zinc/37/34/52/440373452.db2.gz FHXRZDHVQRWWEL-TVRKMHQQSA-N 1 3 344.459 0.804 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000664714206 440361675 /nfs/dbraw/zinc/36/16/75/440361675.db2.gz RPHIVCKXNUIGLY-LSDHHAIUSA-N 1 3 336.484 0.769 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000664714206 440361677 /nfs/dbraw/zinc/36/16/77/440361677.db2.gz RPHIVCKXNUIGLY-LSDHHAIUSA-N 1 3 336.484 0.769 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659553646 440362523 /nfs/dbraw/zinc/36/25/23/440362523.db2.gz BTZVUMQEVAFTSX-XJNFMUPTSA-N 1 3 336.480 0.927 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659573133 440366120 /nfs/dbraw/zinc/36/61/20/440366120.db2.gz KZLQJIDXFKJIIX-UHFFFAOYSA-N 1 3 325.501 0.973 20 0 ECADHO CN1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[C@H](CN)C1 ZINC000659580461 440367922 /nfs/dbraw/zinc/36/79/22/440367922.db2.gz BQKOUULTVZQNIC-BRWVUGGUSA-N 1 3 349.454 0.556 20 0 ECADHO N[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[C@H]1F ZINC000659470412 440335311 /nfs/dbraw/zinc/33/53/11/440335311.db2.gz AFTQVKJJNPNXIQ-APIJFGDWSA-N 1 3 328.432 0.445 20 0 ECADHO O=C(NCCN1CCCC1)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638057751 440414854 /nfs/dbraw/zinc/41/48/54/440414854.db2.gz NPKFNECPYAHAHC-UHFFFAOYSA-N 1 3 342.394 0.966 20 0 ECADHO O=C(NCCN1CCCC1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638058609 440416739 /nfs/dbraw/zinc/41/67/39/440416739.db2.gz RUYLRWKMWGWVSY-SNVBAGLBSA-N 1 3 328.367 0.576 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000633038986 440418853 /nfs/dbraw/zinc/41/88/53/440418853.db2.gz RKMOAWLXDIVCFQ-OLZOCXBDSA-N 1 3 334.420 0.514 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)CC1 ZINC000659683944 440419229 /nfs/dbraw/zinc/41/92/29/440419229.db2.gz DITSHZIUBLXIHS-ZBFHGGJFSA-N 1 3 338.496 0.809 20 0 ECADHO CN1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000649274390 440427585 /nfs/dbraw/zinc/42/75/85/440427585.db2.gz IOGLMPHKMWSCFI-GOSISDBHSA-N 1 3 345.491 0.300 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)n1 ZINC000659629176 440381090 /nfs/dbraw/zinc/38/10/90/440381090.db2.gz PGLXSXLSTNJDNB-TZMCWYRMSA-N 1 3 348.451 0.705 20 0 ECADHO CN1CCC(n2cc(NC(=O)NC[C@@H]3C[NH2+]CCCO3)cn2)CC1 ZINC000632961897 440394663 /nfs/dbraw/zinc/39/46/63/440394663.db2.gz VTGZBMDRWDQNCN-HNNXBMFYSA-N 1 3 336.440 0.650 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000659672713 440407760 /nfs/dbraw/zinc/40/77/60/440407760.db2.gz ALYSXCJTTIFBQK-CQSZACIVSA-N 1 3 326.485 0.857 20 0 ECADHO [NH3+][C@@H]1CC=C(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000638139473 440461355 /nfs/dbraw/zinc/46/13/55/440461355.db2.gz FELBNAGHJDLVPC-MRXNPFEDSA-N 1 3 329.448 0.757 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659725160 440462691 /nfs/dbraw/zinc/46/26/91/440462691.db2.gz YFCXBDBUYQXWGE-IJEWVQPXSA-N 1 3 336.480 0.624 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141168 440463052 /nfs/dbraw/zinc/46/30/52/440463052.db2.gz DIYMOVREMFLVOP-KRWDZBQOSA-N 1 3 341.496 0.962 20 0 ECADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000649333414 440469319 /nfs/dbraw/zinc/46/93/19/440469319.db2.gz RXPOZQRZHYBHHF-AWEZNQCLSA-N 1 3 331.407 0.802 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000659735047 440471414 /nfs/dbraw/zinc/47/14/14/440471414.db2.gz CKRUUYMHESWGAW-ZMSDIMECSA-N 1 3 348.491 0.720 20 0 ECADHO [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000633084893 440434621 /nfs/dbraw/zinc/43/46/21/440434621.db2.gz MJCRUPIDTYYWPX-HOTGVXAUSA-N 1 3 336.480 0.803 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)C(C)(C)C[NH+](C)C ZINC000659700517 440435017 /nfs/dbraw/zinc/43/50/17/440435017.db2.gz MOCFHVMHSNQJNC-RDBSUJKOSA-N 1 3 326.485 0.665 20 0 ECADHO COC[C@]1(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCCN1 ZINC000638101277 440438899 /nfs/dbraw/zinc/43/88/99/440438899.db2.gz PEGPLTFKLZRTBQ-SFHVURJKSA-N 1 3 339.480 0.906 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(O)CCCOC1 ZINC000665242570 440442310 /nfs/dbraw/zinc/44/23/10/440442310.db2.gz BLFMDSKDHBJXJG-DOTOQJQBSA-N 1 3 344.500 0.489 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(O)CCCOC1 ZINC000665242570 440442313 /nfs/dbraw/zinc/44/23/13/440442313.db2.gz BLFMDSKDHBJXJG-DOTOQJQBSA-N 1 3 344.500 0.489 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000659707732 440442274 /nfs/dbraw/zinc/44/22/74/440442274.db2.gz KKSQDPKZICNODP-WMLDXEAASA-N 1 3 346.475 0.737 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000638109615 440445570 /nfs/dbraw/zinc/44/55/70/440445570.db2.gz WDMLTTSCPZYAGE-YOEHRIQHSA-N 1 3 327.469 0.759 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659722866 440458861 /nfs/dbraw/zinc/45/88/61/440458861.db2.gz PRUSELSOGJLEAL-CABCVRRESA-N 1 3 336.480 0.768 20 0 ECADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000649318729 440459840 /nfs/dbraw/zinc/45/98/40/440459840.db2.gz GHJKKFXWAPUQCD-PIIMJCKOSA-N 1 3 347.459 0.725 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321200 440460660 /nfs/dbraw/zinc/46/06/60/440460660.db2.gz OCUZAQSNJFHCEQ-WQVCFCJDSA-N 1 3 333.436 0.158 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@@H](c2ccccc2)C1 ZINC000638138203 440460693 /nfs/dbraw/zinc/46/06/93/440460693.db2.gz XQXPXOSUVZUHOI-RCCFBDPRSA-N 1 3 346.475 0.598 20 0 ECADHO CC[C@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)CC[C@@H]1[NH3+] ZINC000649416805 440493335 /nfs/dbraw/zinc/49/33/35/440493335.db2.gz MJXRFFVVTMXQTK-HOTGVXAUSA-N 1 3 346.479 0.575 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cn1 ZINC000638340747 440517196 /nfs/dbraw/zinc/51/71/96/440517196.db2.gz SMDRYOZSBUPFLT-IRXDYDNUSA-N 1 3 349.479 0.803 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000638392796 440527020 /nfs/dbraw/zinc/52/70/20/440527020.db2.gz IZXWWGVYYQDLPO-ZACQAIPSSA-N 1 3 349.479 0.946 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCn2cnnc2[C@@H]1C ZINC000665761417 440527317 /nfs/dbraw/zinc/52/73/17/440527317.db2.gz CMDDSIUSZSNMFZ-KBPBESRZSA-N 1 3 337.472 0.636 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCn2cnnc2[C@@H]1C ZINC000665761417 440527322 /nfs/dbraw/zinc/52/73/22/440527322.db2.gz CMDDSIUSZSNMFZ-KBPBESRZSA-N 1 3 337.472 0.636 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000659745118 440483001 /nfs/dbraw/zinc/48/30/01/440483001.db2.gz WSOSWNLJUIQDKN-UKRRQHHQSA-N 1 3 326.485 0.665 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000638527604 440562765 /nfs/dbraw/zinc/56/27/65/440562765.db2.gz VLWMVVHAEAQOFE-HUUCEWRRSA-N 1 3 334.420 0.280 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655447330 440564604 /nfs/dbraw/zinc/56/46/04/440564604.db2.gz WRFOJTFXIPOHAQ-MAUKXSAKSA-N 1 3 334.464 0.143 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 ZINC000638571317 440568515 /nfs/dbraw/zinc/56/85/15/440568515.db2.gz JCDBJHFLJQAWOP-FXUDXRNXSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(Nc1ccc2c(c1)OCCNC2)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000638670605 440600462 /nfs/dbraw/zinc/60/04/62/440600462.db2.gz GSIKXYCOJGBDBH-AGUYFDCRSA-N 1 3 329.400 0.922 20 0 ECADHO C[NH+]1CCC(n2cc(NC(=O)[C@H]3CN4CCN3CCC4)cn2)CC1 ZINC000634093479 440607273 /nfs/dbraw/zinc/60/72/73/440607273.db2.gz MHYUYHRGYIUXNT-MRXNPFEDSA-N 1 3 332.452 0.478 20 0 ECADHO CN1CCC(N2CC[C@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)C2)CC1 ZINC000655712596 440619127 /nfs/dbraw/zinc/61/91/27/440619127.db2.gz RSCGWKULPZROET-HKUYNNGSSA-N 1 3 336.524 0.998 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000660269645 440625919 /nfs/dbraw/zinc/62/59/19/440625919.db2.gz KXOGVVGRLDAINH-ARFHVFGLSA-N 1 3 338.496 0.774 20 0 ECADHO NCc1ccc2c(c1)N(C(=O)c1cn(C[C@@H]3CCC[NH2+]3)nn1)CCO2 ZINC000638805576 440629871 /nfs/dbraw/zinc/62/98/71/440629871.db2.gz KXUDZPGGBQFLNR-ZDUSSCGKSA-N 1 3 342.403 0.528 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2C1 ZINC000650399996 440635215 /nfs/dbraw/zinc/63/52/15/440635215.db2.gz IXLSGRBUYMUITN-QDIHITRGSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2C1 ZINC000650399996 440635218 /nfs/dbraw/zinc/63/52/18/440635218.db2.gz IXLSGRBUYMUITN-QDIHITRGSA-N 1 3 334.464 0.092 20 0 ECADHO COc1ccnc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1F ZINC000666635108 440667849 /nfs/dbraw/zinc/66/78/49/440667849.db2.gz XJARRNHPPPWPGD-UHFFFAOYSA-N 1 3 341.431 0.864 20 0 ECADHO COc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1C ZINC000666758915 440685502 /nfs/dbraw/zinc/68/55/02/440685502.db2.gz FEHVOVANMFZQMM-LBPRGKRZSA-N 1 3 326.445 0.822 20 0 ECADHO COc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1C ZINC000666758915 440685509 /nfs/dbraw/zinc/68/55/09/440685509.db2.gz FEHVOVANMFZQMM-LBPRGKRZSA-N 1 3 326.445 0.822 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(S(N)(=O)=O)cc1 ZINC000638882139 440639375 /nfs/dbraw/zinc/63/93/75/440639375.db2.gz WAQIAUIRAPRAQC-CQSZACIVSA-N 1 3 329.466 0.780 20 0 ECADHO C[C@@H](C[NH2+]C[C@H](O)CN(C)Cc1ccccc1)CN1CCN(C)CC1 ZINC000644562716 440645707 /nfs/dbraw/zinc/64/57/07/440645707.db2.gz MEDWRMLHHINSPN-ICSRJNTNSA-N 1 3 348.535 0.952 20 0 ECADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)CC2(O)CCOCC2)CCCO1 ZINC000634712900 440694333 /nfs/dbraw/zinc/69/43/33/440694333.db2.gz NOYKXUYYIFLMFX-HZPDHXFCSA-N 1 3 330.469 0.369 20 0 ECADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)CC2(O)CCOCC2)CCCO1 ZINC000634712900 440694339 /nfs/dbraw/zinc/69/43/39/440694339.db2.gz NOYKXUYYIFLMFX-HZPDHXFCSA-N 1 3 330.469 0.369 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656028196 440697736 /nfs/dbraw/zinc/69/77/36/440697736.db2.gz ILLDXGDNTORCQR-VGWMRTNUSA-N 1 3 336.480 0.848 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028034 440697853 /nfs/dbraw/zinc/69/78/53/440697853.db2.gz HNJKDBLDLBGAGS-HOTGVXAUSA-N 1 3 336.480 0.707 20 0 ECADHO COc1nn(C)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666861515 440698276 /nfs/dbraw/zinc/69/82/76/440698276.db2.gz CZVPGBSUSYSKQA-LBPRGKRZSA-N 1 3 326.445 0.822 20 0 ECADHO COc1nn(C)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666861515 440698284 /nfs/dbraw/zinc/69/82/84/440698284.db2.gz CZVPGBSUSYSKQA-LBPRGKRZSA-N 1 3 326.445 0.822 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000666920201 440711759 /nfs/dbraw/zinc/71/17/59/440711759.db2.gz PPINVZUUQFWACX-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000666920201 440711761 /nfs/dbraw/zinc/71/17/61/440711761.db2.gz PPINVZUUQFWACX-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO O=C(NCCNc1cc[nH+]cc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000666972234 440716037 /nfs/dbraw/zinc/71/60/37/440716037.db2.gz UKSBEFMEEYCLAD-INIZCTEOSA-N 1 3 333.436 0.468 20 0 ECADHO CN(C)C(=O)[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000660801443 440731640 /nfs/dbraw/zinc/73/16/40/440731640.db2.gz PWLVYRDQEFGAQJ-ILNYKDOHSA-N 1 3 336.480 0.363 20 0 ECADHO CN(C)C(=O)[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000660801443 440731646 /nfs/dbraw/zinc/73/16/46/440731646.db2.gz PWLVYRDQEFGAQJ-ILNYKDOHSA-N 1 3 336.480 0.363 20 0 ECADHO NCC(=O)N1CCC[C@H](CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629655256 440746153 /nfs/dbraw/zinc/74/61/53/440746153.db2.gz UTWPOMFFMCFJDC-AGIUHOORSA-N 1 3 336.402 0.643 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNc2nc(N)nc3c2CCCC3)CC1 ZINC000645131383 440753580 /nfs/dbraw/zinc/75/35/80/440753580.db2.gz OXCKFEMPOYEDLU-AWEZNQCLSA-N 1 3 332.496 1.045 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656308345 440760873 /nfs/dbraw/zinc/76/08/73/440760873.db2.gz CJSWTCOTVPLOFJ-HOTGVXAUSA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656308345 440760878 /nfs/dbraw/zinc/76/08/78/440760878.db2.gz CJSWTCOTVPLOFJ-HOTGVXAUSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656309298 440761289 /nfs/dbraw/zinc/76/12/89/440761289.db2.gz NWKADGJBJCQNMZ-ARFHVFGLSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656309298 440761293 /nfs/dbraw/zinc/76/12/93/440761293.db2.gz NWKADGJBJCQNMZ-ARFHVFGLSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645219049 440765103 /nfs/dbraw/zinc/76/51/03/440765103.db2.gz JWHSCJJBOQHXBN-CABCVRRESA-N 1 3 339.484 0.622 20 0 ECADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645219049 440765109 /nfs/dbraw/zinc/76/51/09/440765109.db2.gz JWHSCJJBOQHXBN-CABCVRRESA-N 1 3 339.484 0.622 20 0 ECADHO NCC(=O)N1CCC[C@@H](CNc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000656793924 440848089 /nfs/dbraw/zinc/84/80/89/440848089.db2.gz WNVXQIZJOHEEHS-WMLDXEAASA-N 1 3 332.448 0.957 20 0 ECADHO CN1CC[C@@](C)(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000635457616 440854253 /nfs/dbraw/zinc/85/42/53/440854253.db2.gz MZSQMHRJRUKQPT-SFHVURJKSA-N 1 3 336.480 0.530 20 0 ECADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC000645621646 440865311 /nfs/dbraw/zinc/86/53/11/440865311.db2.gz IEZACCJZUGAAJZ-NVXWUHKLSA-N 1 3 344.459 0.892 20 0 ECADHO CC[NH+]1CCN([C@@H](C)CNC(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000635557106 440900918 /nfs/dbraw/zinc/90/09/18/440900918.db2.gz ZJAWUJLXMGOORQ-INIZCTEOSA-N 1 3 340.512 0.487 20 0 ECADHO CC(C)C[N@H+](CCN(C)C)CCn1cc([C@H](N)[C@H]2CCCO2)nn1 ZINC000630610307 440922332 /nfs/dbraw/zinc/92/23/32/440922332.db2.gz IWZRTMUGBMZNNL-SJORKVTESA-N 1 3 338.500 0.977 20 0 ECADHO CC(C)C[N@@H+](CCN(C)C)CCn1cc([C@H](N)[C@H]2CCCO2)nn1 ZINC000630610307 440922334 /nfs/dbraw/zinc/92/23/34/440922334.db2.gz IWZRTMUGBMZNNL-SJORKVTESA-N 1 3 338.500 0.977 20 0 ECADHO CC(C)CN(CCn1cc([C@H](N)[C@H]2CCCO2)nn1)CC[NH+](C)C ZINC000630610307 440922340 /nfs/dbraw/zinc/92/23/40/440922340.db2.gz IWZRTMUGBMZNNL-SJORKVTESA-N 1 3 338.500 0.977 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000630592087 440924282 /nfs/dbraw/zinc/92/42/82/440924282.db2.gz IVZCFOKOOOHEHZ-UHFFFAOYSA-N 1 3 348.495 0.298 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000635779295 440980512 /nfs/dbraw/zinc/98/05/12/440980512.db2.gz JJWJSRWHLSPNOQ-JKSUJKDBSA-N 1 3 327.469 0.524 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000635779295 440980518 /nfs/dbraw/zinc/98/05/18/440980518.db2.gz JJWJSRWHLSPNOQ-JKSUJKDBSA-N 1 3 327.469 0.524 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646105990 440994963 /nfs/dbraw/zinc/99/49/63/440994963.db2.gz OFSQLXANJFAQGW-IRXDYDNUSA-N 1 3 344.459 0.588 20 0 ECADHO CCc1ccc([C@@H](CNC(=O)c2cn(CC[NH3+])nn2)N(C)C)cc1 ZINC000662348052 441019869 /nfs/dbraw/zinc/01/98/69/441019869.db2.gz PUPADWMQEZPOBD-MRXNPFEDSA-N 1 3 330.436 0.832 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)C[C@H]3NCc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000662580144 441071627 /nfs/dbraw/zinc/07/16/27/441071627.db2.gz NDZTXEBUADEUCM-GVDBMIGSSA-N 1 3 325.416 0.908 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662437675 441042391 /nfs/dbraw/zinc/04/23/91/441042391.db2.gz GWUPMJQVRRONAQ-CQSZACIVSA-N 1 3 330.432 0.607 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662437675 441042398 /nfs/dbraw/zinc/04/23/98/441042398.db2.gz GWUPMJQVRRONAQ-CQSZACIVSA-N 1 3 330.432 0.607 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000342035641 321073223 /nfs/dbraw/zinc/07/32/23/321073223.db2.gz KMHWDTLVJVQWEK-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000342035641 321073224 /nfs/dbraw/zinc/07/32/24/321073224.db2.gz KMHWDTLVJVQWEK-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343044684 321119018 /nfs/dbraw/zinc/11/90/18/321119018.db2.gz WWWBSFQYQORENK-QZTJIDSGSA-N 1 3 328.460 0.767 20 0 ECADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343044684 321119020 /nfs/dbraw/zinc/11/90/20/321119020.db2.gz WWWBSFQYQORENK-QZTJIDSGSA-N 1 3 328.460 0.767 20 0 ECADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343218572 321128805 /nfs/dbraw/zinc/12/88/05/321128805.db2.gz SWYFFNDBEGHWDW-ZWKOTPCHSA-N 1 3 330.476 0.665 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C1CC1 ZINC000343313817 321132684 /nfs/dbraw/zinc/13/26/84/321132684.db2.gz TVCWDUQHPVZJJV-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CC1 ZINC000343313817 321132686 /nfs/dbraw/zinc/13/26/86/321132686.db2.gz TVCWDUQHPVZJJV-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000344264309 321145847 /nfs/dbraw/zinc/14/58/47/321145847.db2.gz GLIDLOQIESLIHI-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000344264309 321145848 /nfs/dbraw/zinc/14/58/48/321145848.db2.gz GLIDLOQIESLIHI-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347965326 321260354 /nfs/dbraw/zinc/26/03/54/321260354.db2.gz FXIBAZADVWFIRA-KLHDSHLOSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347965326 321260355 /nfs/dbraw/zinc/26/03/55/321260355.db2.gz FXIBAZADVWFIRA-KLHDSHLOSA-N 1 3 338.496 0.964 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000352092493 321348259 /nfs/dbraw/zinc/34/82/59/321348259.db2.gz UDXCRMKEVWXLHC-GDBMZVCRSA-N 1 3 326.485 0.857 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000352092493 321348261 /nfs/dbraw/zinc/34/82/61/321348261.db2.gz UDXCRMKEVWXLHC-GDBMZVCRSA-N 1 3 326.485 0.857 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000521431021 321975589 /nfs/dbraw/zinc/97/55/89/321975589.db2.gz CBDUOPNHMBATKI-OAHLLOKOSA-N 1 3 337.464 0.767 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)CC2(O)CCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000528434640 322025382 /nfs/dbraw/zinc/02/53/82/322025382.db2.gz XBSCCRRDNYWPNB-IXDOHACOSA-N 1 3 325.497 0.610 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000545883746 322111661 /nfs/dbraw/zinc/11/16/61/322111661.db2.gz ZRYRWBDTXFJVSX-NVXWUHKLSA-N 1 3 326.485 0.720 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000545883746 322111663 /nfs/dbraw/zinc/11/16/63/322111663.db2.gz ZRYRWBDTXFJVSX-NVXWUHKLSA-N 1 3 326.485 0.720 20 0 ECADHO Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000559698739 322223782 /nfs/dbraw/zinc/22/37/82/322223782.db2.gz HIDYKQKOSNHFTI-UHFFFAOYSA-N 1 3 348.491 0.871 20 0 ECADHO Cc1nnc(COCC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000560485266 322244662 /nfs/dbraw/zinc/24/46/62/322244662.db2.gz MVUOKLGCHALUKK-UHFFFAOYSA-N 1 3 329.470 0.315 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000562769903 322283998 /nfs/dbraw/zinc/28/39/98/322283998.db2.gz QANGAROIXFVUQD-HNNXBMFYSA-N 1 3 347.467 0.834 20 0 ECADHO C[NH+]1CCC(CNC(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000562770251 322284001 /nfs/dbraw/zinc/28/40/01/322284001.db2.gz JSMLFPZNVZOFPB-UHFFFAOYSA-N 1 3 333.440 0.350 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563089200 322296941 /nfs/dbraw/zinc/29/69/41/322296941.db2.gz XRTYXNBTZXKVDX-FSZRXZPDSA-N 1 3 336.480 0.025 20 0 ECADHO CN(C(=O)NCc1ccccc1CN1CC[C@H](O)C1)C1CC([NH3+])C1 ZINC000563584497 322329391 /nfs/dbraw/zinc/32/93/91/322329391.db2.gz LQLCKFPKOHBOBV-JCYILVPMSA-N 1 3 332.448 0.884 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000564553657 322379607 /nfs/dbraw/zinc/37/96/07/322379607.db2.gz QTAAANBKIVMFKA-CYBMUJFWSA-N 1 3 335.443 0.461 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000564715152 322388742 /nfs/dbraw/zinc/38/87/42/322388742.db2.gz BJWUPBYUYZTYFQ-GOSISDBHSA-N 1 3 345.491 0.854 20 0 ECADHO CSC1(CNC(=O)NCC2(O)CCN(C)CC2)CC[NH+](C)CC1 ZINC000565982023 322490736 /nfs/dbraw/zinc/49/07/36/322490736.db2.gz CECTUACVIWIVFO-UHFFFAOYSA-N 1 3 344.525 0.570 20 0 ECADHO CN1CCC(C[NH2+]C[C@@H](O)C(F)(F)F)(N2CCOCC2)CC1 ZINC000566118718 322503107 /nfs/dbraw/zinc/50/31/07/322503107.db2.gz GLPPLIBBBUVODU-GFCCVEGCSA-N 1 3 325.375 0.296 20 0 ECADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000569447792 322653795 /nfs/dbraw/zinc/65/37/95/322653795.db2.gz UXOWASRTMWCFGO-CVEARBPZSA-N 1 3 336.480 0.661 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N(C)CCC[NH3+])c2)CC1 ZINC000572734276 322750306 /nfs/dbraw/zinc/75/03/06/322750306.db2.gz CCXOMTHZBWNCRE-UHFFFAOYSA-N 1 3 347.463 0.574 20 0 ECADHO O[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)Cn1cccn1 ZINC000576101450 322801578 /nfs/dbraw/zinc/80/15/78/322801578.db2.gz UQKUIQBCDUBOJB-GOSISDBHSA-N 1 3 344.463 0.441 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)C2)nn1 ZINC000579007908 322883575 /nfs/dbraw/zinc/88/35/75/322883575.db2.gz FWYCUWXFPQLYNG-UKMLZYKCSA-N 1 3 332.452 0.821 20 0 ECADHO CCN(CC)[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)c1ccco1 ZINC000580182677 322917812 /nfs/dbraw/zinc/91/78/12/322917812.db2.gz AMUGLKKGFXRLFT-DLBZAZTESA-N 1 3 338.496 0.860 20 0 ECADHO C[C@@H](CN1CCOCC1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000091617336 545725031 /nfs/dbraw/zinc/72/50/31/545725031.db2.gz YILDFGOIHMZRIO-HNNXBMFYSA-N 1 3 326.485 0.097 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000175569136 545870372 /nfs/dbraw/zinc/87/03/72/545870372.db2.gz FZBIRFHLDUEXQU-UHFFFAOYSA-N 1 3 337.512 0.938 20 0 ECADHO CCC(CC)(C[NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000236662117 545927315 /nfs/dbraw/zinc/92/73/15/545927315.db2.gz SFRWMXBMOFOQIN-CQSZACIVSA-N 1 3 326.485 0.810 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000333791410 546063935 /nfs/dbraw/zinc/06/39/35/546063935.db2.gz GGCFXGLPVAVYQF-SOUVJXGZSA-N 1 3 337.468 0.075 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000342983166 546088325 /nfs/dbraw/zinc/08/83/25/546088325.db2.gz ACPGRZOZNLRNAZ-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000342983166 546088330 /nfs/dbraw/zinc/08/83/30/546088330.db2.gz ACPGRZOZNLRNAZ-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)CN1Cc1ccccc1 ZINC000398171127 546194945 /nfs/dbraw/zinc/19/49/45/546194945.db2.gz UUCDJKWNKPDUJR-UKRRQHHQSA-N 1 3 328.420 0.630 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1)C2 ZINC000622027017 546608390 /nfs/dbraw/zinc/60/83/90/546608390.db2.gz WLJHTLVZRZHSIT-FCEWJHQRSA-N 1 3 348.491 0.803 20 0 ECADHO CN1CCC(CNC(=O)NCCC[NH+](C)C)(N2CCOCC2)CC1 ZINC000623366320 546780672 /nfs/dbraw/zinc/78/06/72/546780672.db2.gz VIYRQLRNKKYWNZ-UHFFFAOYSA-N 1 3 341.500 0.034 20 0 ECADHO CN1CC[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)CC1(C)C ZINC000623440916 546788569 /nfs/dbraw/zinc/78/85/69/546788569.db2.gz SIEVMPTWBRFFDX-GFCCVEGCSA-N 1 3 330.454 0.556 20 0 ECADHO CC1CC[NH+](Cc2ccccc2CNc2nc(N)nc(N)n2)CC1 ZINC000623860792 546850424 /nfs/dbraw/zinc/85/04/24/546850424.db2.gz FPNAXCYPGOKUSJ-UHFFFAOYSA-N 1 3 327.436 0.963 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000624394973 546914819 /nfs/dbraw/zinc/91/48/19/546914819.db2.gz ZSMRKXVKGMZWSR-UONOGXRCSA-N 1 3 343.497 0.480 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000624403877 546916719 /nfs/dbraw/zinc/91/67/19/546916719.db2.gz APFUNPIWIJRLJI-FZMZJTMJSA-N 1 3 343.497 0.480 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnn1C1CCOCC1 ZINC000668302965 547615075 /nfs/dbraw/zinc/61/50/75/547615075.db2.gz VOUUEMYTXLAVOU-UHFFFAOYSA-N 1 3 337.468 0.800 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668329350 547619565 /nfs/dbraw/zinc/61/95/65/547619565.db2.gz SXOZVUQGVIPQQI-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668329350 547619568 /nfs/dbraw/zinc/61/95/68/547619568.db2.gz SXOZVUQGVIPQQI-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668776265 547746633 /nfs/dbraw/zinc/74/66/33/547746633.db2.gz CVWLEETWMPMFHL-KBPBESRZSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668776265 547746638 /nfs/dbraw/zinc/74/66/38/547746638.db2.gz CVWLEETWMPMFHL-KBPBESRZSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CCO1 ZINC000669400957 547885936 /nfs/dbraw/zinc/88/59/36/547885936.db2.gz OPIOQPYDXRMCOJ-BHYGNILZSA-N 1 3 334.464 0.917 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000670545828 548030080 /nfs/dbraw/zinc/03/00/80/548030080.db2.gz OVTCYXVCYDNSIM-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670708611 548039189 /nfs/dbraw/zinc/03/91/89/548039189.db2.gz GCSGEIZPZJEKIX-INIZCTEOSA-N 1 3 336.480 0.579 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC[C@@H]21 ZINC000672312464 548309925 /nfs/dbraw/zinc/30/99/25/548309925.db2.gz PRTCOVIEYXCXHJ-IKGGRYGDSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC[C@@H]21 ZINC000672312464 548309929 /nfs/dbraw/zinc/30/99/29/548309929.db2.gz PRTCOVIEYXCXHJ-IKGGRYGDSA-N 1 3 348.491 0.530 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672312288 548310258 /nfs/dbraw/zinc/31/02/58/548310258.db2.gz BAGQTRNBDTUWTJ-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000672693806 548371993 /nfs/dbraw/zinc/37/19/93/548371993.db2.gz ZWXPYEWOYXLXJM-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000672693806 548371997 /nfs/dbraw/zinc/37/19/97/548371997.db2.gz ZWXPYEWOYXLXJM-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000672697587 548374821 /nfs/dbraw/zinc/37/48/21/548374821.db2.gz ZKWVEWDSCPHTEW-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000672697587 548374825 /nfs/dbraw/zinc/37/48/25/548374825.db2.gz ZKWVEWDSCPHTEW-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CCC1 ZINC000672980857 548423180 /nfs/dbraw/zinc/42/31/80/548423180.db2.gz FHLVWDRLKQUUOA-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000674348279 548617790 /nfs/dbraw/zinc/61/77/90/548617790.db2.gz ZHPLWVDCKCJKMM-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000685302085 549675589 /nfs/dbraw/zinc/67/55/89/549675589.db2.gz WVIYGDCDTQYZPG-SIXLDLHFSA-N 1 3 348.491 0.671 20 0 ECADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000685302085 549675591 /nfs/dbraw/zinc/67/55/91/549675591.db2.gz WVIYGDCDTQYZPG-SIXLDLHFSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(C)c1Br ZINC000760317280 579508259 /nfs/dbraw/zinc/50/82/59/579508259.db2.gz GNBDBJUDRGQMIX-UHFFFAOYSA-N 1 3 346.273 0.748 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729507145 578296458 /nfs/dbraw/zinc/29/64/58/578296458.db2.gz XLMGIBMJMPWPLV-KLHDSHLOSA-N 1 3 338.452 0.012 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729507145 578296459 /nfs/dbraw/zinc/29/64/59/578296459.db2.gz XLMGIBMJMPWPLV-KLHDSHLOSA-N 1 3 338.452 0.012 20 0 ECADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000795702175 578619107 /nfs/dbraw/zinc/61/91/07/578619107.db2.gz DOGXPJIVJRWUAC-CABCVRRESA-N 1 3 349.479 0.519 20 0 ECADHO COCC[N@H+](C)CCCC1CCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799150043 578659774 /nfs/dbraw/zinc/65/97/74/578659774.db2.gz UIGCZVXXBYVTTM-OAHLLOKOSA-N 1 3 325.453 0.862 20 0 ECADHO COCC[N@@H+](C)CCCC1CCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799150043 578659776 /nfs/dbraw/zinc/65/97/76/578659776.db2.gz UIGCZVXXBYVTTM-OAHLLOKOSA-N 1 3 325.453 0.862 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1)C[NH+]1CCCC1 ZINC000790187915 578869370 /nfs/dbraw/zinc/86/93/70/578869370.db2.gz LFEACNSCAQEIDG-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793697540 578935403 /nfs/dbraw/zinc/93/54/03/578935403.db2.gz IFDQKXBLOFDPFN-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793697540 578935404 /nfs/dbraw/zinc/93/54/04/578935404.db2.gz IFDQKXBLOFDPFN-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793703743 578936134 /nfs/dbraw/zinc/93/61/34/578936134.db2.gz XBRFBBCCOYUVQP-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000793705553 578936271 /nfs/dbraw/zinc/93/62/71/578936271.db2.gz FFXHLKOWADVLKV-IJEWVQPXSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793709237 578936501 /nfs/dbraw/zinc/93/65/01/578936501.db2.gz KOFQJSLQWXZBPA-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793709237 578936502 /nfs/dbraw/zinc/93/65/02/578936502.db2.gz KOFQJSLQWXZBPA-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCCCC1 ZINC000841326210 588986401 /nfs/dbraw/zinc/98/64/01/588986401.db2.gz VFKSWTCXGFVZGM-CQSZACIVSA-N 1 3 347.467 0.882 20 0 ECADHO C[C@@H](CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCCCC1 ZINC000841326209 588986451 /nfs/dbraw/zinc/98/64/51/588986451.db2.gz VFKSWTCXGFVZGM-AWEZNQCLSA-N 1 3 347.467 0.882 20 0 ECADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000841941692 589006580 /nfs/dbraw/zinc/00/65/80/589006580.db2.gz OPGPGSKNTUQOPU-SJLPKXTDSA-N 1 3 332.448 0.627 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)N1CCCCC1 ZINC000842015861 589008077 /nfs/dbraw/zinc/00/80/77/589008077.db2.gz PERBIELLDFHZDS-HOCLYGCPSA-N 1 3 332.448 0.793 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842096453 589011608 /nfs/dbraw/zinc/01/16/08/589011608.db2.gz BICSILRPXQNXKH-KRWDZBQOSA-N 1 3 346.475 0.795 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC1CCN(CCN(C)C)CC1 ZINC000891339916 586163629 /nfs/dbraw/zinc/16/36/29/586163629.db2.gz LEPSXGRONPOUEU-MRXNPFEDSA-N 1 3 325.501 0.796 20 0 ECADHO COCCN(C)CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891493584 586171657 /nfs/dbraw/zinc/17/16/57/586171657.db2.gz VKURBUMIXQFABU-QWRGUYRKSA-N 1 3 326.363 0.343 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NCCC(C)(C)[NH3+])c1 ZINC000891497558 586171746 /nfs/dbraw/zinc/17/17/46/586171746.db2.gz MFAWQWRGABVXDY-UHFFFAOYSA-N 1 3 349.479 0.905 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891514444 586173286 /nfs/dbraw/zinc/17/32/86/586173286.db2.gz RRJQSPLOOXYRGQ-FRRDWIJNSA-N 1 3 332.395 0.394 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000895319696 586176536 /nfs/dbraw/zinc/17/65/36/586176536.db2.gz QPLHHPYYWLFSHZ-IXDOHACOSA-N 1 3 338.496 0.959 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000895319696 586176538 /nfs/dbraw/zinc/17/65/38/586176538.db2.gz QPLHHPYYWLFSHZ-IXDOHACOSA-N 1 3 338.496 0.959 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000891710081 586190971 /nfs/dbraw/zinc/19/09/71/586190971.db2.gz GMMWIMYTRWNCDM-IAGOWNOFSA-N 1 3 336.480 0.854 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCN1CCC(O)CC1 ZINC000895665295 586197236 /nfs/dbraw/zinc/19/72/36/586197236.db2.gz BIENWXQITUGXHH-HNNXBMFYSA-N 1 3 343.516 0.014 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000892072983 586220087 /nfs/dbraw/zinc/22/00/87/586220087.db2.gz WZTZCLUMQZTCPH-UHFFFAOYSA-N 1 3 349.479 0.422 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CNCCC2(F)F)C[C@H]1C(F)(F)F ZINC000892155314 586224536 /nfs/dbraw/zinc/22/45/36/586224536.db2.gz CMPWCDUEVZBSBI-HLTSFMKQSA-N 1 3 330.301 0.762 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)[NH2+]C1 ZINC000892384175 586261550 /nfs/dbraw/zinc/26/15/50/586261550.db2.gz PRBLODQXAMQTMH-CABCVRRESA-N 1 3 326.485 0.911 20 0 ECADHO CN1CCN(C2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)CC1 ZINC000892454143 586266974 /nfs/dbraw/zinc/26/69/74/586266974.db2.gz PZTPYEFFJDYBPW-UHFFFAOYSA-N 1 3 335.496 0.774 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)cc1 ZINC000892530724 586271590 /nfs/dbraw/zinc/27/15/90/586271590.db2.gz VZZBXSVKSPZVKW-ROUUACIJSA-N 1 3 345.491 0.854 20 0 ECADHO CN1CCN(CC2(C)CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)CC1 ZINC000892573107 586274322 /nfs/dbraw/zinc/27/43/22/586274322.db2.gz VPCSRNRULDPFFM-WKILWMFISA-N 1 3 337.512 0.783 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000897313489 586297175 /nfs/dbraw/zinc/29/71/75/586297175.db2.gz FOYOKGQOFQJRJL-HNNXBMFYSA-N 1 3 347.463 0.577 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)CN1CCN(C)CC1 ZINC000893237588 586318632 /nfs/dbraw/zinc/31/86/32/586318632.db2.gz OWSPMDGIOUBGKH-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)CN1CCN(C)CC1 ZINC000893237588 586318636 /nfs/dbraw/zinc/31/86/36/586318636.db2.gz OWSPMDGIOUBGKH-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO O=C(NC[C@@H]1CCCCN1CCO)C1C[NH+](C2CCOCC2)C1 ZINC000897878666 586378480 /nfs/dbraw/zinc/37/84/80/586378480.db2.gz ACJDPTXVXCFZBE-INIZCTEOSA-N 1 3 325.453 0.060 20 0 ECADHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1CN(C2CCOCC2)C1 ZINC000901135590 586697425 /nfs/dbraw/zinc/69/74/25/586697425.db2.gz UVTFVUVDYQRNAZ-MRXNPFEDSA-N 1 3 325.453 0.060 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC000903492614 586779566 /nfs/dbraw/zinc/77/95/66/586779566.db2.gz HPUWKUGIPSPARC-XPCVCDNBSA-N 1 3 330.450 0.024 20 0 ECADHO CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510724 586780979 /nfs/dbraw/zinc/78/09/79/586780979.db2.gz JLPUIPBKSVALGY-YUELXQCFSA-N 1 3 337.468 0.121 20 0 ECADHO CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510724 586780980 /nfs/dbraw/zinc/78/09/80/586780980.db2.gz JLPUIPBKSVALGY-YUELXQCFSA-N 1 3 337.468 0.121 20 0 ECADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)CC1 ZINC000903750797 586804646 /nfs/dbraw/zinc/80/46/46/586804646.db2.gz UBXABUFMXHVWOA-OAHLLOKOSA-N 1 3 338.496 0.763 20 0 ECADHO COCC(COC)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903770305 586810520 /nfs/dbraw/zinc/81/05/20/586810520.db2.gz WQWGNONEJLNAHQ-AWEZNQCLSA-N 1 3 337.468 0.660 20 0 ECADHO COCC[C@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000903837574 586819133 /nfs/dbraw/zinc/81/91/33/586819133.db2.gz NPVMLNWOTUXFGR-ZWKOTPCHSA-N 1 3 348.491 0.716 20 0 ECADHO CN(C)[S@@](C)(=O)=NCC1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000903870432 586821121 /nfs/dbraw/zinc/82/11/21/586821121.db2.gz HAXDFBDDMQQPJM-WNSKOXEYSA-N 1 3 344.525 0.794 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H](CN3CCOCC3)C2)cnn1C ZINC000903909216 586825039 /nfs/dbraw/zinc/82/50/39/586825039.db2.gz RUECBDZDHDTZNX-QZTJIDSGSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cnn1C ZINC000903909216 586825042 /nfs/dbraw/zinc/82/50/42/586825042.db2.gz RUECBDZDHDTZNX-QZTJIDSGSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cnn1C ZINC000903909216 586825043 /nfs/dbraw/zinc/82/50/43/586825043.db2.gz RUECBDZDHDTZNX-QZTJIDSGSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCNC[C@H]2c2cccnc2)cnn1C ZINC000903906066 586825116 /nfs/dbraw/zinc/82/51/16/586825116.db2.gz RIPFKQNEEHUQOM-QAPCUYQASA-N 1 3 328.464 0.887 20 0 ECADHO CNS(=O)(=O)c1ccc(N2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000904385746 586836569 /nfs/dbraw/zinc/83/65/69/586836569.db2.gz DHUUYPXTTBAPNM-OKILXGFUSA-N 1 3 338.477 0.454 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000904971032 586851773 /nfs/dbraw/zinc/85/17/73/586851773.db2.gz ICKYVXUHXDDFPA-GPMSIDNRSA-N 1 3 348.491 0.803 20 0 ECADHO NC[C@@]12CC[C@H]1CCN2C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000905000863 586857661 /nfs/dbraw/zinc/85/76/61/586857661.db2.gz MKHSGHBUOUZHPJ-LPHOPBHVSA-N 1 3 348.491 0.661 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000905010810 586860945 /nfs/dbraw/zinc/86/09/45/586860945.db2.gz UQWDWIJVZOTNRW-IIDMSEBBSA-N 1 3 334.464 0.413 20 0 ECADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccccc2CN)CCCO1 ZINC000906667301 586963255 /nfs/dbraw/zinc/96/32/55/586963255.db2.gz VDOWHYQZYFMMJF-CQSZACIVSA-N 1 3 348.447 0.701 20 0 ECADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2CN)CCCO1 ZINC000906667301 586963256 /nfs/dbraw/zinc/96/32/56/586963256.db2.gz VDOWHYQZYFMMJF-CQSZACIVSA-N 1 3 348.447 0.701 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000906720933 586970894 /nfs/dbraw/zinc/97/08/94/586970894.db2.gz DDTJFDNNGLIDBY-UHFFFAOYSA-N 1 3 348.447 0.811 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000806327509 587092962 /nfs/dbraw/zinc/09/29/62/587092962.db2.gz AOPOKFADYGHQJT-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(C2OCCO2)s1 ZINC000806934004 587112468 /nfs/dbraw/zinc/11/24/68/587112468.db2.gz REDAPRHRKNVWFQ-UHFFFAOYSA-N 1 3 342.465 0.754 20 0 ECADHO CCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@H]1CCN(CC)C1 ZINC000827319914 588112303 /nfs/dbraw/zinc/11/23/03/588112303.db2.gz HCARUTNINNHXLI-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000827327770 588112945 /nfs/dbraw/zinc/11/29/45/588112945.db2.gz QCJLERVIOUIQFA-OAHLLOKOSA-N 1 3 338.496 0.966 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCN(CC)C1 ZINC000828283804 588169851 /nfs/dbraw/zinc/16/98/51/588169851.db2.gz KMNJPRQUQFWNEL-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831264164 588417552 /nfs/dbraw/zinc/41/75/52/588417552.db2.gz WCNCIMLQHBKSKY-UHFFFAOYSA-N 1 3 341.500 0.701 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c(F)c1 ZINC000846144929 589188753 /nfs/dbraw/zinc/18/87/53/589188753.db2.gz KVRMXNSHPLGODN-GJZGRUSLSA-N 1 3 336.411 0.947 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000846345292 589197483 /nfs/dbraw/zinc/19/74/83/589197483.db2.gz GOOUULWJVVFDHK-UHFFFAOYSA-N 1 3 346.475 0.952 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=S)NCC(C)(C)C[NH+](C)C ZINC000849293090 589325063 /nfs/dbraw/zinc/32/50/63/589325063.db2.gz QQJBCYNZWMGOCA-UHFFFAOYSA-N 1 3 345.557 0.401 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=S)NCC1CC[NH+](C)CC1 ZINC000849293065 589325112 /nfs/dbraw/zinc/32/51/12/589325112.db2.gz PQQAYEBJYWBYIV-UHFFFAOYSA-N 1 3 343.541 0.155 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000850866958 589388777 /nfs/dbraw/zinc/38/87/77/589388777.db2.gz HKZDILHSJUJUIJ-AWEZNQCLSA-N 1 3 347.463 0.491 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000853822208 589560828 /nfs/dbraw/zinc/56/08/28/589560828.db2.gz DIDMQSGGLUTZFM-LSDHHAIUSA-N 1 3 341.500 0.521 20 0 ECADHO CN(C)CCOc1cc(-c2noc(-c3cn(CC[NH3+])nn3)n2)ccn1 ZINC000854142198 589572720 /nfs/dbraw/zinc/57/27/20/589572720.db2.gz GOHKTMSTRSUVLL-UHFFFAOYSA-N 1 3 344.379 0.289 20 0 ECADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000857841493 589712846 /nfs/dbraw/zinc/71/28/46/589712846.db2.gz CFWJZZFLSYTTDO-XIRDDKMYSA-N 1 3 348.491 0.944 20 0 ECADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000857841493 589712847 /nfs/dbraw/zinc/71/28/47/589712847.db2.gz CFWJZZFLSYTTDO-XIRDDKMYSA-N 1 3 348.491 0.944 20 0 ECADHO CCOC(=O)CCCCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712003 589762405 /nfs/dbraw/zinc/76/24/05/589762405.db2.gz PPSOZVOBUCXUIR-KFWWJZLASA-N 1 3 339.436 0.977 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000867741525 589833549 /nfs/dbraw/zinc/83/35/49/589833549.db2.gz HFVHEGJYPVNFDP-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000861543340 589862593 /nfs/dbraw/zinc/86/25/93/589862593.db2.gz AQLLXXWRFBTGJJ-LLVKDONJSA-N 1 3 340.399 0.510 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000861797966 589893424 /nfs/dbraw/zinc/89/34/24/589893424.db2.gz IBUXYDHGFHSIPE-DLBZAZTESA-N 1 3 346.475 0.963 20 0 ECADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cn1 ZINC000861914853 589904266 /nfs/dbraw/zinc/90/42/66/589904266.db2.gz XHFGHFDZBBVXGN-DMRKSPOLSA-N 1 3 331.464 0.474 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1(C)C ZINC000868579162 589914513 /nfs/dbraw/zinc/91/45/13/589914513.db2.gz SEBKSCIXUGCPEK-HOTGVXAUSA-N 1 3 337.512 0.748 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1(C)C ZINC000868579162 589914514 /nfs/dbraw/zinc/91/45/14/589914514.db2.gz SEBKSCIXUGCPEK-HOTGVXAUSA-N 1 3 337.512 0.748 20 0 ECADHO Cc1ccc(O)c(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)n1 ZINC000863641817 590028444 /nfs/dbraw/zinc/02/84/44/590028444.db2.gz CLPFLSAPFBPUGW-ZBFHGGJFSA-N 1 3 332.404 0.853 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000863753636 590034528 /nfs/dbraw/zinc/03/45/28/590034528.db2.gz GEYHXWWPIMINNB-OAHLLOKOSA-N 1 3 346.475 0.915 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000863755607 590034771 /nfs/dbraw/zinc/03/47/71/590034771.db2.gz VOIVNECJGMHKDU-OAHLLOKOSA-N 1 3 334.464 0.691 20 0 ECADHO NCc1cccc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000870999441 590044390 /nfs/dbraw/zinc/04/43/90/590044390.db2.gz MWVZBCWWAMLSBR-ZNMIVQPWSA-N 1 3 330.388 0.152 20 0 ECADHO N[C@@H](CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000871000717 590044832 /nfs/dbraw/zinc/04/48/32/590044832.db2.gz WWDBHTIWHGAYLN-JONQDZQNSA-N 1 3 344.415 0.470 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC000871461813 590071372 /nfs/dbraw/zinc/07/13/72/590071372.db2.gz LPSGHBKBAHDZBB-OAHLLOKOSA-N 1 3 342.484 0.010 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC000871461813 590071373 /nfs/dbraw/zinc/07/13/73/590071373.db2.gz LPSGHBKBAHDZBB-OAHLLOKOSA-N 1 3 342.484 0.010 20 0 ECADHO CC(C)N(C)CC(=O)N1CCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000871461813 590071376 /nfs/dbraw/zinc/07/13/76/590071376.db2.gz LPSGHBKBAHDZBB-OAHLLOKOSA-N 1 3 342.484 0.010 20 0 ECADHO CC(C)N(C)CC(=O)N1CCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000871461813 590071378 /nfs/dbraw/zinc/07/13/78/590071378.db2.gz LPSGHBKBAHDZBB-OAHLLOKOSA-N 1 3 342.484 0.010 20 0 ECADHO C[N@H+](C[C@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C1CC1 ZINC000872225514 590106105 /nfs/dbraw/zinc/10/61/05/590106105.db2.gz KNXWZMCIQWCJSA-ILXRZTDVSA-N 1 3 343.468 0.401 20 0 ECADHO C[N@@H+](C[C@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C1CC1 ZINC000872225514 590106107 /nfs/dbraw/zinc/10/61/07/590106107.db2.gz KNXWZMCIQWCJSA-ILXRZTDVSA-N 1 3 343.468 0.401 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[N@H+](C)C(C)(C)CC1)C2=O ZINC000872695180 590142330 /nfs/dbraw/zinc/14/23/30/590142330.db2.gz UJXDKJZMMDIXDG-UHFFFAOYSA-N 1 3 337.468 0.376 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[N@@H+](C)C(C)(C)CC1)C2=O ZINC000872695180 590142331 /nfs/dbraw/zinc/14/23/31/590142331.db2.gz UJXDKJZMMDIXDG-UHFFFAOYSA-N 1 3 337.468 0.376 20 0 ECADHO CC(C)CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000873225597 590186790 /nfs/dbraw/zinc/18/67/90/590186790.db2.gz UURNYLVKCCHPPR-INIZCTEOSA-N 1 3 338.496 0.764 20 0 ECADHO CC(C)CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000873225597 590186792 /nfs/dbraw/zinc/18/67/92/590186792.db2.gz UURNYLVKCCHPPR-INIZCTEOSA-N 1 3 338.496 0.764 20 0 ECADHO CC(C)CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000873225598 590186880 /nfs/dbraw/zinc/18/68/80/590186880.db2.gz UURNYLVKCCHPPR-MRXNPFEDSA-N 1 3 338.496 0.764 20 0 ECADHO CC(C)CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000873225598 590186882 /nfs/dbraw/zinc/18/68/82/590186882.db2.gz UURNYLVKCCHPPR-MRXNPFEDSA-N 1 3 338.496 0.764 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874823072 590253027 /nfs/dbraw/zinc/25/30/27/590253027.db2.gz MXUMUFPJDKYGTL-CVEARBPZSA-N 1 3 327.469 0.666 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874823072 590253025 /nfs/dbraw/zinc/25/30/25/590253025.db2.gz MXUMUFPJDKYGTL-CVEARBPZSA-N 1 3 327.469 0.666 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876748370 590408285 /nfs/dbraw/zinc/40/82/85/590408285.db2.gz CLBIRXORIFOHLR-DAYGRLMNSA-N 1 3 336.480 0.578 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1c(C)cnn1[C@@H]1CCC[NH2+]C1 ZINC000876751851 590409088 /nfs/dbraw/zinc/40/90/88/590409088.db2.gz ZFEHMCNHWXXINW-JKSUJKDBSA-N 1 3 349.479 0.957 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C(=O)CNC[C@H]1CCCO1 ZINC000877132975 590439839 /nfs/dbraw/zinc/43/98/39/590439839.db2.gz SHXOSGQXNHADHB-MRXNPFEDSA-N 1 3 327.469 0.572 20 0 ECADHO CN1CCN(C2CCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)CC1 ZINC000877252025 590450610 /nfs/dbraw/zinc/45/06/10/590450610.db2.gz XVYQOXBRXGHCCS-HNNXBMFYSA-N 1 3 348.413 0.767 20 0 ECADHO COCCC1(NC(=O)[C@H](N)CN(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000877268547 590452097 /nfs/dbraw/zinc/45/20/97/590452097.db2.gz JUOMUARYWITQHZ-QGZVFWFLSA-N 1 3 348.491 0.721 20 0 ECADHO O=C(C[NH2+]CC1CCS(=O)(=O)CC1)NCCN1CCCCCC1 ZINC000877548559 590470127 /nfs/dbraw/zinc/47/01/27/590470127.db2.gz MKEUCZOIVVOIAB-UHFFFAOYSA-N 1 3 345.509 0.393 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)NC2CCN(C)CC2)C1 ZINC000878158681 590502353 /nfs/dbraw/zinc/50/23/53/590502353.db2.gz LDIGAXHCYIHZNZ-KRWDZBQOSA-N 1 3 340.512 0.630 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC000883639851 590637419 /nfs/dbraw/zinc/63/74/19/590637419.db2.gz ACUZWWGFLPZPHR-IIAWOOMASA-N 1 3 345.447 0.314 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884893372 590643644 /nfs/dbraw/zinc/64/36/44/590643644.db2.gz GKRCLDXBRIUFPA-IRXDYDNUSA-N 1 3 346.475 0.615 20 0 ECADHO O=C(C(=O)N1CCNCCC12CCC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000883658218 590644781 /nfs/dbraw/zinc/64/47/81/590644781.db2.gz WCNRMOYEAZPDKV-INIZCTEOSA-N 1 3 348.491 0.818 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)n1 ZINC000885888785 590778711 /nfs/dbraw/zinc/77/87/11/590778711.db2.gz PZYWWGKHGQOQMF-OAHLLOKOSA-N 1 3 335.452 0.428 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884554911 590856450 /nfs/dbraw/zinc/85/64/50/590856450.db2.gz GFKAMEQRZPMRIM-HIFRSBDPSA-N 1 3 334.464 0.330 20 0 ECADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000886624849 590866237 /nfs/dbraw/zinc/86/62/37/590866237.db2.gz BGVVLIIBDDMIOB-HZPDHXFCSA-N 1 3 339.480 0.714 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)N(C)C1CC1 ZINC000884616765 590872677 /nfs/dbraw/zinc/87/26/77/590872677.db2.gz BHPKLOMIQMWKFE-ZDUSSCGKSA-N 1 3 344.459 0.547 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCNCCC12CCC2 ZINC000884669970 590887828 /nfs/dbraw/zinc/88/78/28/590887828.db2.gz LSBWZOOTUHPVAN-CABCVRRESA-N 1 3 334.464 0.474 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCNCCC12CCC2 ZINC000884669970 590887831 /nfs/dbraw/zinc/88/78/31/590887831.db2.gz LSBWZOOTUHPVAN-CABCVRRESA-N 1 3 334.464 0.474 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884681713 590892672 /nfs/dbraw/zinc/89/26/72/590892672.db2.gz DFWJIIGJIVFQFK-HUUCEWRRSA-N 1 3 345.447 0.235 20 0 ECADHO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000886891708 590902733 /nfs/dbraw/zinc/90/27/33/590902733.db2.gz DMPGMEKFNURCJE-CQSZACIVSA-N 1 3 343.497 0.434 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C[NH2+]1 ZINC000884818210 590928262 /nfs/dbraw/zinc/92/82/62/590928262.db2.gz YHFQZTOGHOKYBD-RBSFLKMASA-N 1 3 345.447 0.375 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+](C)CCO)cc2)CC1 ZINC000887205381 590950830 /nfs/dbraw/zinc/95/08/30/590950830.db2.gz QJGRFVFEDOOHIF-UHFFFAOYSA-N 1 3 349.479 0.874 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+](C)CCO)cc2)CC1 ZINC000887205381 590950833 /nfs/dbraw/zinc/95/08/33/590950833.db2.gz QJGRFVFEDOOHIF-UHFFFAOYSA-N 1 3 349.479 0.874 20 0 ECADHO Cc1ccc(NC(=O)NCCN(C)CCO)c(OCC[NH+](C)C)c1 ZINC000887804289 591006360 /nfs/dbraw/zinc/00/63/60/591006360.db2.gz NZVCIMQVFHWSHF-UHFFFAOYSA-N 1 3 338.452 0.981 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000929922723 611368146 /nfs/dbraw/zinc/36/81/46/611368146.db2.gz KKPMNPVLVNZILL-ZACQAIPSSA-N 1 3 338.496 0.959 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000929922723 611368149 /nfs/dbraw/zinc/36/81/49/611368149.db2.gz KKPMNPVLVNZILL-ZACQAIPSSA-N 1 3 338.496 0.959 20 0 ECADHO CN1C[C@H](O)C[C@@H]1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000924983862 611445920 /nfs/dbraw/zinc/44/59/20/611445920.db2.gz KOVRSWUQCLJCBC-HUUCEWRRSA-N 1 3 325.453 0.203 20 0 ECADHO CC1(C)[C@@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925498757 611485746 /nfs/dbraw/zinc/48/57/46/611485746.db2.gz SDTNBXUAMMLOFQ-BDXSIMOUSA-N 1 3 336.524 0.759 20 0 ECADHO C[NH+]1CCC(C(=O)NC2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000946801780 611491567 /nfs/dbraw/zinc/49/15/67/611491567.db2.gz RLXIPLMHZPAXOT-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCCN(CCN3CCOCC3)C1)[NH2+]2 ZINC000925768678 611499146 /nfs/dbraw/zinc/49/91/46/611499146.db2.gz LOTDFDXAXAOZAR-ZRSRNVLSSA-N 1 3 336.524 0.902 20 0 ECADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1nnc2c(=O)n(C)ccn12 ZINC000925773057 611499635 /nfs/dbraw/zinc/49/96/35/611499635.db2.gz LUHNTDFYUGMNBM-ZIAGYGMSSA-N 1 3 332.452 0.871 20 0 ECADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857464 611504352 /nfs/dbraw/zinc/50/43/52/611504352.db2.gz ZWXXUTNOZQFCRS-BFHYXJOUSA-N 1 3 344.477 0.617 20 0 ECADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000926314562 611534049 /nfs/dbraw/zinc/53/40/49/611534049.db2.gz LINGEJWCLVXFQH-HOTGVXAUSA-N 1 3 336.480 0.661 20 0 ECADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000926314563 611534065 /nfs/dbraw/zinc/53/40/65/611534065.db2.gz LINGEJWCLVXFQH-HZPDHXFCSA-N 1 3 336.480 0.661 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1CN1CCCCC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926315774 611534153 /nfs/dbraw/zinc/53/41/53/611534153.db2.gz RGSIBWOTHKTGFP-BBWFWOEESA-N 1 3 348.491 0.531 20 0 ECADHO C[NH+](C)CC1(O)CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000931485460 611544727 /nfs/dbraw/zinc/54/47/27/611544727.db2.gz JCCBLQHJIOBQPT-AWEZNQCLSA-N 1 3 333.498 0.047 20 0 ECADHO COc1ccccc1C[C@](C)(CO)NCC(=O)NC1CC[NH+](C)CC1 ZINC000931601712 611553130 /nfs/dbraw/zinc/55/31/30/611553130.db2.gz VIAZUURPPMFVJP-LJQANCHMSA-N 1 3 349.475 0.789 20 0 ECADHO CCO[C@H](C[NH2+]C1CCN(CCN2CCOCC2)CC1)CN(C)C ZINC000926965953 611577060 /nfs/dbraw/zinc/57/70/60/611577060.db2.gz UIBVSTUUNQPGEX-GOSISDBHSA-N 1 3 342.528 0.339 20 0 ECADHO Cc1cccc(NCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000927478712 611605878 /nfs/dbraw/zinc/60/58/78/611605878.db2.gz IOSJQHABDLELKH-UHFFFAOYSA-N 1 3 335.452 0.900 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(C)CCCCO1 ZINC000932632962 611646031 /nfs/dbraw/zinc/64/60/31/611646031.db2.gz SIRLEAOBIDLNIP-KRWDZBQOSA-N 1 3 342.484 0.014 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000936915443 608732870 /nfs/dbraw/zinc/73/28/70/608732870.db2.gz ZDHUPSUKYMYPDQ-HOTGVXAUSA-N 1 3 348.491 0.768 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@@H+]1C ZINC000933847655 608777893 /nfs/dbraw/zinc/77/78/93/608777893.db2.gz LHOOKRWNWDXEND-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@H+]1C ZINC000933847655 608777895 /nfs/dbraw/zinc/77/78/95/608777895.db2.gz LHOOKRWNWDXEND-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO COCCN1CCC(N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924513651 608912792 /nfs/dbraw/zinc/91/27/92/608912792.db2.gz PFWSQZCBQVFHNB-OAHLLOKOSA-N 1 3 338.452 0.504 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000938184587 609497354 /nfs/dbraw/zinc/49/73/54/609497354.db2.gz FXDHHBUHTXDEBN-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC000938308829 609707850 /nfs/dbraw/zinc/70/78/50/609707850.db2.gz MRJHCLZUNUMXES-JKSUJKDBSA-N 1 3 348.491 0.672 20 0 ECADHO CCO[C@H](CNC(=O)C(=O)N[C@H](C)CN1CCCCC1)C[NH+](C)C ZINC000929404711 609739550 /nfs/dbraw/zinc/73/95/50/609739550.db2.gz RCUQJLDVNZSCLZ-HUUCEWRRSA-N 1 3 342.484 0.060 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000938386842 609768555 /nfs/dbraw/zinc/76/85/55/609768555.db2.gz CHTQWAPPDYRNGR-LSDHHAIUSA-N 1 3 345.447 0.320 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1)C(C)C ZINC000911027941 609791670 /nfs/dbraw/zinc/79/16/70/609791670.db2.gz FXIWXLVIXYEOIJ-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC000911054105 609795681 /nfs/dbraw/zinc/79/56/81/609795681.db2.gz DRKFUYGBCPFCED-OAHLLOKOSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)N1CCC(C)CC1 ZINC000911089816 609807709 /nfs/dbraw/zinc/80/77/09/609807709.db2.gz DXSLLEJHVGJPAT-YJBOKZPZSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911148366 609815241 /nfs/dbraw/zinc/81/52/41/609815241.db2.gz XOIHJSASILPXNT-RGXXSHLXSA-N 1 3 342.443 0.326 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000911284288 609846437 /nfs/dbraw/zinc/84/64/37/609846437.db2.gz NGLYZMYSIOGVCA-OAHLLOKOSA-N 1 3 332.448 0.651 20 0 ECADHO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000911324682 609847666 /nfs/dbraw/zinc/84/76/66/609847666.db2.gz JBVIJWQWVWIBCR-YYAJDYIMSA-N 1 3 348.491 0.768 20 0 ECADHO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000911324681 609848042 /nfs/dbraw/zinc/84/80/42/609848042.db2.gz JBVIJWQWVWIBCR-YKTARERQSA-N 1 3 348.491 0.768 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000911325146 609848216 /nfs/dbraw/zinc/84/82/16/609848216.db2.gz PGACYGCYXSZKHT-XHSDSOJGSA-N 1 3 336.480 0.720 20 0 ECADHO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000911519485 609891048 /nfs/dbraw/zinc/89/10/48/609891048.db2.gz IRHUMGSOFWKURJ-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000155958185 609910163 /nfs/dbraw/zinc/91/01/63/609910163.db2.gz UQWFUWDXKRLMBC-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N(C)CC[N@H+](C)CCO)cc2)CC1 ZINC000912607405 609977202 /nfs/dbraw/zinc/97/72/02/609977202.db2.gz UDXLFXRAEMZRGT-UHFFFAOYSA-N 1 3 348.491 0.825 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N(C)CC[N@@H+](C)CCO)cc2)CC1 ZINC000912607405 609977205 /nfs/dbraw/zinc/97/72/05/609977205.db2.gz UDXLFXRAEMZRGT-UHFFFAOYSA-N 1 3 348.491 0.825 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000938911599 610038993 /nfs/dbraw/zinc/03/89/93/610038993.db2.gz LDGOVMKQXGRZEW-UKRRQHHQSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938911599 610038996 /nfs/dbraw/zinc/03/89/96/610038996.db2.gz LDGOVMKQXGRZEW-UKRRQHHQSA-N 1 3 333.436 0.353 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000939696363 610088870 /nfs/dbraw/zinc/08/88/70/610088870.db2.gz VBPJJAUSPUXCAW-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO CC[NH+]1CC(N2CCN(C(=O)c3ccn(-c4ccncc4)n3)CC2)C1 ZINC000941484195 610337283 /nfs/dbraw/zinc/33/72/83/610337283.db2.gz QLSBOBXBUMEYPS-UHFFFAOYSA-N 1 3 340.431 0.729 20 0 ECADHO C[C@@H]1CN(CCn2cncn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597958 610531630 /nfs/dbraw/zinc/53/16/30/610531630.db2.gz OURCVFSCCUSGPB-ZBFHGGJFSA-N 1 3 334.468 0.447 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CCn3cncn3)CC2(C)C)C1 ZINC000941221654 610606448 /nfs/dbraw/zinc/60/64/48/610606448.db2.gz ZWILHZWXKDXURV-HUUCEWRRSA-N 1 3 334.468 0.447 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CCn3cncn3)CC2(C)C)C1 ZINC000941221654 610606451 /nfs/dbraw/zinc/60/64/51/610606451.db2.gz ZWILHZWXKDXURV-HUUCEWRRSA-N 1 3 334.468 0.447 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000945551673 611074985 /nfs/dbraw/zinc/07/49/85/611074985.db2.gz URUVSPJHRHRJLL-CZUORRHYSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cn(C)nn1 ZINC000923199264 611213751 /nfs/dbraw/zinc/21/37/51/611213751.db2.gz PAMYNSIMWQCGKN-QWHCGFSZSA-N 1 3 325.461 0.447 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cn(C)nn1 ZINC000923199264 611213753 /nfs/dbraw/zinc/21/37/53/611213753.db2.gz PAMYNSIMWQCGKN-QWHCGFSZSA-N 1 3 325.461 0.447 20 0 ECADHO COC(=O)c1cn([C@H]2CCCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923375998 611234861 /nfs/dbraw/zinc/23/48/61/611234861.db2.gz GYVSMVHHCDXPKT-QWHCGFSZSA-N 1 3 335.408 0.080 20 0 ECADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCCN(CCO[C@@H]2CCOC2)C1 ZINC000923398029 611237958 /nfs/dbraw/zinc/23/79/58/611237958.db2.gz ITTHPSNUJJONAN-HZPDHXFCSA-N 1 3 349.479 0.804 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1CCC[C@]([NH3+])(CO)C1)c1ccccc1 ZINC000923472783 611249178 /nfs/dbraw/zinc/24/91/78/611249178.db2.gz NANMKYPZFFVAJC-SJLPKXTDSA-N 1 3 334.464 0.191 20 0 ECADHO CCOC(=O)N1CCC(NC(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923498532 611251710 /nfs/dbraw/zinc/25/17/10/611251710.db2.gz OMNMYMLWLQYSGE-ZIAGYGMSSA-N 1 3 340.468 0.640 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)N1CCC(C)CC1 ZINC000842140070 611312404 /nfs/dbraw/zinc/31/24/04/611312404.db2.gz ZEGMOZMVMMPEEI-QQFBHYJXSA-N 1 3 338.496 0.951 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)NCCN2CCC(C)(C)C2)CCCC1 ZINC000929163032 611734205 /nfs/dbraw/zinc/73/42/05/611734205.db2.gz VBVWVTUYOBTXRF-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCN1CCC(C)(C)C1)C[NH+]1CCCC1 ZINC000929565878 611765265 /nfs/dbraw/zinc/76/52/65/611765265.db2.gz UZGJMTGEQZHZBY-OAHLLOKOSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@H](O)C[NH+]1CCC2(CC1)CN(C(=O)CN1CC[C@@H](C)C1)CCO2 ZINC000949189417 611894275 /nfs/dbraw/zinc/89/42/75/611894275.db2.gz UVBLNHKHDFXANT-CVEARBPZSA-N 1 3 339.480 0.402 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000951237749 612096145 /nfs/dbraw/zinc/09/61/45/612096145.db2.gz DOSHTLWTFPFEMC-GJZGRUSLSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954497993 612332061 /nfs/dbraw/zinc/33/20/61/612332061.db2.gz AQYGRGNMWLLIIU-GASCZTMLSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954497993 612332067 /nfs/dbraw/zinc/33/20/67/612332067.db2.gz AQYGRGNMWLLIIU-GASCZTMLSA-N 1 3 336.480 0.624 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904857 612419742 /nfs/dbraw/zinc/41/97/42/612419742.db2.gz MBYWHZFBFXOLPF-HOTGVXAUSA-N 1 3 336.480 0.624 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904857 612419743 /nfs/dbraw/zinc/41/97/43/612419743.db2.gz MBYWHZFBFXOLPF-HOTGVXAUSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000955340647 612463572 /nfs/dbraw/zinc/46/35/72/612463572.db2.gz KYEYSTGSJNIXNR-AWEZNQCLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000955340647 612463575 /nfs/dbraw/zinc/46/35/75/612463575.db2.gz KYEYSTGSJNIXNR-AWEZNQCLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000955342266 612466761 /nfs/dbraw/zinc/46/67/61/612466761.db2.gz VPHRPSLQFSENQB-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000955342266 612466764 /nfs/dbraw/zinc/46/67/64/612466764.db2.gz VPHRPSLQFSENQB-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)CN2CCCC2)C1 ZINC000954820759 612713471 /nfs/dbraw/zinc/71/34/71/612713471.db2.gz GIIKXQRKAGMANB-UHFFFAOYSA-N 1 3 334.464 0.380 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000956225716 612786842 /nfs/dbraw/zinc/78/68/42/612786842.db2.gz MLXRZVUTYIKDRO-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954273314 612815385 /nfs/dbraw/zinc/81/53/85/612815385.db2.gz AWVWXAIATWCMJV-INIZCTEOSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954273314 612815388 /nfs/dbraw/zinc/81/53/88/612815388.db2.gz AWVWXAIATWCMJV-INIZCTEOSA-N 1 3 336.480 0.624 20 0 ECADHO CC1(NC(=O)C23CC[NH+](CC2)C3)CCN(C(=O)CN2CCCC2)CC1 ZINC000956428028 612880085 /nfs/dbraw/zinc/88/00/85/612880085.db2.gz BTAPPYOMKYTWNT-UHFFFAOYSA-N 1 3 348.491 0.675 20 0 ECADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024964943 738434387 /nfs/dbraw/zinc/43/43/87/738434387.db2.gz RCSQCJJRLJBBDI-NVXWUHKLSA-N 1 3 346.479 0.628 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCCN2CCn2cncn2)C1 ZINC000969144801 731523432 /nfs/dbraw/zinc/52/34/32/731523432.db2.gz UGKGGAXORPLJSY-JKSUJKDBSA-N 1 3 334.468 0.591 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCCN2CCn2cncn2)C1 ZINC000969144801 731523440 /nfs/dbraw/zinc/52/34/40/731523440.db2.gz UGKGGAXORPLJSY-JKSUJKDBSA-N 1 3 334.468 0.591 20 0 ECADHO CO[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342328 731666007 /nfs/dbraw/zinc/66/60/07/731666007.db2.gz RHUJQEGXUNCJNO-RBSFLKMASA-N 1 3 325.453 0.180 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(C)n1 ZINC000969955579 732560793 /nfs/dbraw/zinc/56/07/93/732560793.db2.gz PZYSYUDKWSYIIB-XJKSGUPXSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)c(C)n1 ZINC000969955579 732560796 /nfs/dbraw/zinc/56/07/96/732560796.db2.gz PZYSYUDKWSYIIB-XJKSGUPXSA-N 1 3 347.463 0.826 20 0 ECADHO CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232778 733077164 /nfs/dbraw/zinc/07/71/64/733077164.db2.gz PMMGFFWAKVPINK-OAHLLOKOSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C[C@H](O)Cn2cccn2)C1 ZINC000970371922 733434740 /nfs/dbraw/zinc/43/47/40/733434740.db2.gz ICSKMPKMFDTTST-PBHICJAKSA-N 1 3 349.479 0.022 20 0 ECADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C[C@H](O)Cn2cccn2)C1 ZINC000970371925 733434817 /nfs/dbraw/zinc/43/48/17/733434817.db2.gz ICSKMPKMFDTTST-YOEHRIQHSA-N 1 3 349.479 0.022 20 0 ECADHO CNC(=O)c1cccc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000970715116 733864291 /nfs/dbraw/zinc/86/42/91/733864291.db2.gz PAZZRYWVYCWCKS-IAGOWNOFSA-N 1 3 344.459 0.688 20 0 ECADHO CNC(=O)c1cccc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000970715116 733864295 /nfs/dbraw/zinc/86/42/95/733864295.db2.gz PAZZRYWVYCWCKS-IAGOWNOFSA-N 1 3 344.459 0.688 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CCOCCO ZINC001104294667 734020742 /nfs/dbraw/zinc/02/07/42/734020742.db2.gz WZMXTKOJSMLSNN-HZPDHXFCSA-N 1 3 341.496 0.554 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 ZINC000972333169 735958311 /nfs/dbraw/zinc/95/83/11/735958311.db2.gz UHPHIOMNUOZANS-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 ZINC000972333169 735958314 /nfs/dbraw/zinc/95/83/14/735958314.db2.gz UHPHIOMNUOZANS-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001167627080 736152250 /nfs/dbraw/zinc/15/22/50/736152250.db2.gz KANWHCYVTZEUDP-ZIAGYGMSSA-N 1 3 338.452 0.150 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCF ZINC001104433483 736191821 /nfs/dbraw/zinc/19/18/21/736191821.db2.gz FYJFLDCXZFUMQZ-HCBPCCMXSA-N 1 3 339.455 0.893 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC([N@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098572629 736285406 /nfs/dbraw/zinc/28/54/06/736285406.db2.gz RRFKEHONCXZPQO-INIZCTEOSA-N 1 3 341.496 0.648 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098572629 736285408 /nfs/dbraw/zinc/28/54/08/736285408.db2.gz RRFKEHONCXZPQO-INIZCTEOSA-N 1 3 341.496 0.648 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001023025154 736405635 /nfs/dbraw/zinc/40/56/35/736405635.db2.gz XZALWBOYAIQTQD-MELADBBJSA-N 1 3 333.436 0.414 20 0 ECADHO O=C(NC[C@@H]1CCCN([C@H]2CCCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001023465473 736871713 /nfs/dbraw/zinc/87/17/13/736871713.db2.gz SYNGXVUMMAGMQH-HOTGVXAUSA-N 1 3 348.491 0.722 20 0 ECADHO O=C(NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1)C12CCC[NH+]1CCC2 ZINC001087257790 737412387 /nfs/dbraw/zinc/41/23/87/737412387.db2.gz IPFOLGSKFRXZCY-UHFFFAOYSA-N 1 3 345.447 0.926 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC000972741479 737583032 /nfs/dbraw/zinc/58/30/32/737583032.db2.gz CJGSUTWMMDBLEK-DOMZBBRYSA-N 1 3 331.420 0.182 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC000972741479 737583036 /nfs/dbraw/zinc/58/30/36/737583036.db2.gz CJGSUTWMMDBLEK-DOMZBBRYSA-N 1 3 331.420 0.182 20 0 ECADHO CN(CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001024017178 737620332 /nfs/dbraw/zinc/62/03/32/737620332.db2.gz BHXJWLFCJZJIMP-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H](CNCc2cn(C)nn2)C1)[NH+](C)C ZINC001024139347 737752215 /nfs/dbraw/zinc/75/22/15/737752215.db2.gz GZMNJPVVTXELGL-GDBMZVCRSA-N 1 3 336.484 0.730 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]Cc3cnnn3C)C2)CC1 ZINC001024212576 737816510 /nfs/dbraw/zinc/81/65/10/737816510.db2.gz PQLDUPVTSLFNTE-INIZCTEOSA-N 1 3 348.495 0.875 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024237954 737845003 /nfs/dbraw/zinc/84/50/03/737845003.db2.gz XODVTHHFFSMSQI-CABCVRRESA-N 1 3 334.468 0.485 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024237954 737845005 /nfs/dbraw/zinc/84/50/05/737845005.db2.gz XODVTHHFFSMSQI-CABCVRRESA-N 1 3 334.468 0.485 20 0 ECADHO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CCN1CCNC1=O ZINC001024365558 737923072 /nfs/dbraw/zinc/92/30/72/737923072.db2.gz CTOKCAJKKXETGC-CABCVRRESA-N 1 3 337.468 0.077 20 0 ECADHO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CCN1CCNC1=O ZINC001024365558 737923075 /nfs/dbraw/zinc/92/30/75/737923075.db2.gz CTOKCAJKKXETGC-CABCVRRESA-N 1 3 337.468 0.077 20 0 ECADHO C[C@@H](O)CN1CCCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001024443652 737977544 /nfs/dbraw/zinc/97/75/44/737977544.db2.gz ODIYERSGSFZDQL-CABCVRRESA-N 1 3 337.468 0.410 20 0 ECADHO CCN(CC)C(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678547 738016152 /nfs/dbraw/zinc/01/61/52/738016152.db2.gz OFUKKLHVWDQSRJ-FHERZECASA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001067535728 738396509 /nfs/dbraw/zinc/39/65/09/738396509.db2.gz DIXMULLXSCASKB-BZUAXINKSA-N 1 3 340.512 0.974 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001067535728 738396512 /nfs/dbraw/zinc/39/65/12/738396512.db2.gz DIXMULLXSCASKB-BZUAXINKSA-N 1 3 340.512 0.974 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000973291990 739044314 /nfs/dbraw/zinc/04/43/14/739044314.db2.gz CPLPXQGSMKPUHJ-RBSFLKMASA-N 1 3 336.480 0.433 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000973291990 739044321 /nfs/dbraw/zinc/04/43/21/739044321.db2.gz CPLPXQGSMKPUHJ-RBSFLKMASA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000973330791 739097212 /nfs/dbraw/zinc/09/72/12/739097212.db2.gz AKNKUAVHGMDRIU-XFIYOXNOSA-N 1 3 336.480 0.432 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000973330791 739097215 /nfs/dbraw/zinc/09/72/15/739097215.db2.gz AKNKUAVHGMDRIU-XFIYOXNOSA-N 1 3 336.480 0.432 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000973423425 739251071 /nfs/dbraw/zinc/25/10/71/739251071.db2.gz NRYBTJUGRXMNLL-BPUTZDHNSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026043466 740335700 /nfs/dbraw/zinc/33/57/00/740335700.db2.gz ZBWPAXZGGMBULK-RMWBKXBUSA-N 1 3 348.491 0.433 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026043466 740335703 /nfs/dbraw/zinc/33/57/03/740335703.db2.gz ZBWPAXZGGMBULK-RMWBKXBUSA-N 1 3 348.491 0.433 20 0 ECADHO CC(C)N1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026043408 740335721 /nfs/dbraw/zinc/33/57/21/740335721.db2.gz QPOLYSFKRKIBOQ-RNGZQALNSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026043408 740335724 /nfs/dbraw/zinc/33/57/24/740335724.db2.gz QPOLYSFKRKIBOQ-RNGZQALNSA-N 1 3 348.491 0.526 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026043467 740336069 /nfs/dbraw/zinc/33/60/69/740336069.db2.gz ZBWPAXZGGMBULK-XHWCBRGXSA-N 1 3 348.491 0.433 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026043467 740336072 /nfs/dbraw/zinc/33/60/72/740336072.db2.gz ZBWPAXZGGMBULK-XHWCBRGXSA-N 1 3 348.491 0.433 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099857 740373119 /nfs/dbraw/zinc/37/31/19/740373119.db2.gz IUEHEEZINUVLNH-QXDIGNSFSA-N 1 3 343.475 0.946 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099857 740373125 /nfs/dbraw/zinc/37/31/25/740373125.db2.gz IUEHEEZINUVLNH-QXDIGNSFSA-N 1 3 343.475 0.946 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCn3cncn3)[C@H]2C1)C1CCC1 ZINC001026283183 740741879 /nfs/dbraw/zinc/74/18/79/740741879.db2.gz DBGAYJSMCOYSCB-XIRDDKMYSA-N 1 3 346.479 0.589 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001078234821 782535171 /nfs/dbraw/zinc/53/51/71/782535171.db2.gz QPLWOUWRZCEDRL-YQQAZPJKSA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001078234821 782535178 /nfs/dbraw/zinc/53/51/78/782535178.db2.gz QPLWOUWRZCEDRL-YQQAZPJKSA-N 1 3 340.512 0.925 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104937978 740978543 /nfs/dbraw/zinc/97/85/43/740978543.db2.gz LZSYYPQBBVLCFF-HUUCEWRRSA-N 1 3 347.525 0.447 20 0 ECADHO Cn1cnnc1CN[C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001026347818 740981264 /nfs/dbraw/zinc/98/12/64/740981264.db2.gz ALCRSVCYACJOEH-HRCADAONSA-N 1 3 346.479 0.484 20 0 ECADHO Cn1nccc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]12 ZINC001026365336 741065841 /nfs/dbraw/zinc/06/58/41/741065841.db2.gz VGTPXJRILLWEFC-DAXOMENPSA-N 1 3 328.420 0.713 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CCNCc1ccn(C)n1 ZINC001105008131 741160806 /nfs/dbraw/zinc/16/08/06/741160806.db2.gz RHHQMVULVFDLDJ-BZUAXINKSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CCNCc1ccn(C)n1 ZINC001105008131 741160811 /nfs/dbraw/zinc/16/08/11/741160811.db2.gz RHHQMVULVFDLDJ-BZUAXINKSA-N 1 3 333.480 0.946 20 0 ECADHO Cn1ccnc1CN[C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001026401100 741237677 /nfs/dbraw/zinc/23/76/77/741237677.db2.gz UXMBEVGEDUNKGX-HRCADAONSA-N 1 3 343.475 0.843 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000974350700 741378253 /nfs/dbraw/zinc/37/82/53/741378253.db2.gz XQDCAYQBSGFIGM-RUZUBIRVSA-N 1 3 333.436 0.222 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000974350700 741378256 /nfs/dbraw/zinc/37/82/56/741378256.db2.gz XQDCAYQBSGFIGM-RUZUBIRVSA-N 1 3 333.436 0.222 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)CC[N@@H+]1C ZINC001105242747 741539531 /nfs/dbraw/zinc/53/95/31/741539531.db2.gz GKPYIKYFSTZFHB-CXAGYDPISA-N 1 3 346.479 0.891 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)CC[N@H+]1C ZINC001105242747 741539534 /nfs/dbraw/zinc/53/95/34/741539534.db2.gz GKPYIKYFSTZFHB-CXAGYDPISA-N 1 3 346.479 0.891 20 0 ECADHO CC(C)C[NH2+]Cc1cn(C2CN(C(=O)C3(N(C)C)CCC3)C2)nn1 ZINC001105260009 741583064 /nfs/dbraw/zinc/58/30/64/741583064.db2.gz XAMDBTGSSWXAIS-UHFFFAOYSA-N 1 3 334.468 0.891 20 0 ECADHO CCOC(=O)C[C@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]1C ZINC001161499439 741700616 /nfs/dbraw/zinc/70/06/16/741700616.db2.gz JNLBMXVNDOIABW-XQQFMLRXSA-N 1 3 331.482 0.443 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)CCC1 ZINC001026886287 742041962 /nfs/dbraw/zinc/04/19/62/742041962.db2.gz UDIQXYVLQPORAF-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001026888593 742045922 /nfs/dbraw/zinc/04/59/22/742045922.db2.gz IMIURBRQHDTTNP-XJKSGUPXSA-N 1 3 334.468 0.576 20 0 ECADHO CCn1c(C)nnc1CNC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027036181 742347482 /nfs/dbraw/zinc/34/74/82/742347482.db2.gz UMNVBEFVNPYGMS-OAHLLOKOSA-N 1 3 348.495 0.886 20 0 ECADHO C[C@@H](NC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1nncn1C ZINC001027037660 742365209 /nfs/dbraw/zinc/36/52/09/742365209.db2.gz XLZBQEGEKOGWDS-KGLIPLIRSA-N 1 3 334.468 0.656 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001027091830 742526253 /nfs/dbraw/zinc/52/62/53/742526253.db2.gz VPEZGPFDUSAXOH-CZUORRHYSA-N 1 3 345.447 0.544 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000975291502 742694514 /nfs/dbraw/zinc/69/45/14/742694514.db2.gz HTJVEVLSOYPGKI-ZIAGYGMSSA-N 1 3 333.436 0.259 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000975291502 742694515 /nfs/dbraw/zinc/69/45/15/742694515.db2.gz HTJVEVLSOYPGKI-ZIAGYGMSSA-N 1 3 333.436 0.259 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027139549 742721756 /nfs/dbraw/zinc/72/17/56/742721756.db2.gz LSSKIHPFMKVPFW-MRXNPFEDSA-N 1 3 348.495 0.968 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)nn1 ZINC000996945148 743062908 /nfs/dbraw/zinc/06/29/08/743062908.db2.gz GDWDDNWSDKTUOU-UHFFFAOYSA-N 1 3 347.463 0.908 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997005107 743118572 /nfs/dbraw/zinc/11/85/72/743118572.db2.gz CTLOAXMDDGXJLH-CJNGLKHVSA-N 1 3 347.463 0.764 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997005107 743118578 /nfs/dbraw/zinc/11/85/78/743118578.db2.gz CTLOAXMDDGXJLH-CJNGLKHVSA-N 1 3 347.463 0.764 20 0 ECADHO O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)N1CCCCC1 ZINC000997055974 743177909 /nfs/dbraw/zinc/17/79/09/743177909.db2.gz WNCGEYBDVOZUCN-UHFFFAOYSA-N 1 3 333.436 0.545 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNCc3cc4n(n3)CCC4)C2)C1 ZINC001027216140 743191399 /nfs/dbraw/zinc/19/13/99/743191399.db2.gz RRFUTIAFNBDAMJ-LSDHHAIUSA-N 1 3 331.464 0.719 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNCc3cc4n(n3)CCC4)C2)C1 ZINC001027216140 743191407 /nfs/dbraw/zinc/19/14/07/743191407.db2.gz RRFUTIAFNBDAMJ-LSDHHAIUSA-N 1 3 331.464 0.719 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nn1 ZINC000997190763 743333702 /nfs/dbraw/zinc/33/37/02/743333702.db2.gz CGBGDYDEHUXGLJ-UHFFFAOYSA-N 1 3 345.447 0.662 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000997237963 743390069 /nfs/dbraw/zinc/39/00/69/743390069.db2.gz MGUIWYAOJSLAGU-AWEZNQCLSA-N 1 3 347.463 0.566 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000997237963 743390079 /nfs/dbraw/zinc/39/00/79/743390079.db2.gz MGUIWYAOJSLAGU-AWEZNQCLSA-N 1 3 347.463 0.566 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997366309 743537487 /nfs/dbraw/zinc/53/74/87/743537487.db2.gz AMRCMEALYANRCE-QGZVFWFLSA-N 1 3 344.459 0.831 20 0 ECADHO CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997605770 743705854 /nfs/dbraw/zinc/70/58/54/743705854.db2.gz HRHZKSLGVXGMJM-MRXNPFEDSA-N 1 3 334.468 0.720 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)n1 ZINC001020589044 751851176 /nfs/dbraw/zinc/85/11/76/751851176.db2.gz VNIUEVBUZCWNRR-DAXOMENPSA-N 1 3 334.468 0.474 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001027330739 743765218 /nfs/dbraw/zinc/76/52/18/743765218.db2.gz AWICMMGXMRMUGW-IRXDYDNUSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001027330739 743765220 /nfs/dbraw/zinc/76/52/20/743765220.db2.gz AWICMMGXMRMUGW-IRXDYDNUSA-N 1 3 348.495 0.912 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1)C1CC1 ZINC000997830333 743841325 /nfs/dbraw/zinc/84/13/25/743841325.db2.gz IDUOEKSZIZTFOE-MRXNPFEDSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081641 743967040 /nfs/dbraw/zinc/96/70/40/743967040.db2.gz KXXZEDVOTDBSEE-RHSMWYFYSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081641 743967041 /nfs/dbraw/zinc/96/70/41/743967041.db2.gz KXXZEDVOTDBSEE-RHSMWYFYSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998083589 743968931 /nfs/dbraw/zinc/96/89/31/743968931.db2.gz WOMVUDGXKRFKBX-GDBMZVCRSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998083589 743968933 /nfs/dbraw/zinc/96/89/33/743968933.db2.gz WOMVUDGXKRFKBX-GDBMZVCRSA-N 1 3 333.480 0.946 20 0 ECADHO O=C(CN1CCCC1)N1CCC(C[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC000998269332 744088751 /nfs/dbraw/zinc/08/87/51/744088751.db2.gz MNJSDAIHUMMUOE-MRXNPFEDSA-N 1 3 346.479 0.689 20 0 ECADHO C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@H]2CCNC2=O)C1 ZINC001211669071 744359057 /nfs/dbraw/zinc/35/90/57/744359057.db2.gz HQRKUWDYQAJMRS-YESZJQIVSA-N 1 3 344.459 0.411 20 0 ECADHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC000998992994 744455043 /nfs/dbraw/zinc/45/50/43/744455043.db2.gz DIYREYYKGNXKFZ-GPANFISMSA-N 1 3 336.480 0.672 20 0 ECADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999168525 744545955 /nfs/dbraw/zinc/54/59/55/744545955.db2.gz FZCILESFEVIASJ-NVXWUHKLSA-N 1 3 331.464 0.843 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC000999473242 744714918 /nfs/dbraw/zinc/71/49/18/744714918.db2.gz LIKIBIDSFSECEJ-DNOWBOINSA-N 1 3 333.436 0.448 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC000999490471 744720433 /nfs/dbraw/zinc/72/04/33/744720433.db2.gz QIKOIZQCYCUHLC-UONOGXRCSA-N 1 3 338.452 0.056 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000999832221 744927718 /nfs/dbraw/zinc/92/77/18/744927718.db2.gz AMHPLMMPJRMXFB-BDVYOWHSSA-N 1 3 348.491 0.815 20 0 ECADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000983714908 745089791 /nfs/dbraw/zinc/08/97/91/745089791.db2.gz CJMRJDDICQUTFD-JKQORVJESA-N 1 3 348.447 0.831 20 0 ECADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000983714908 745089798 /nfs/dbraw/zinc/08/97/98/745089798.db2.gz CJMRJDDICQUTFD-JKQORVJESA-N 1 3 348.447 0.831 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029107587 745099536 /nfs/dbraw/zinc/09/95/36/745099536.db2.gz POZOSQYNFTVSLH-GUYCJALGSA-N 1 3 348.495 0.872 20 0 ECADHO Cc1nnc(CN[C@H](C)C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC001029165500 745195379 /nfs/dbraw/zinc/19/53/79/745195379.db2.gz HRARVHGLPGQNFS-CYBMUJFWSA-N 1 3 346.479 0.926 20 0 ECADHO CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)C(N)=O ZINC001112535868 745233406 /nfs/dbraw/zinc/23/34/06/745233406.db2.gz DTCQIUCHVXMLDA-JDFRZJQESA-N 1 3 333.436 0.434 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001000189831 745326199 /nfs/dbraw/zinc/32/61/99/745326199.db2.gz FAXXADIHLPHIRI-WBVHZDCISA-N 1 3 333.480 0.885 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001000227984 745364041 /nfs/dbraw/zinc/36/40/41/745364041.db2.gz QIKOIZQCYCUHLC-KBPBESRZSA-N 1 3 338.452 0.056 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)n1 ZINC001000319771 745425065 /nfs/dbraw/zinc/42/50/65/745425065.db2.gz DCAVZFYOHSTUJH-AWEZNQCLSA-N 1 3 331.424 0.441 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000977762358 745487815 /nfs/dbraw/zinc/48/78/15/745487815.db2.gz VCZNCMPRYNWSRY-JKSUJKDBSA-N 1 3 345.447 0.353 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000977818626 745537555 /nfs/dbraw/zinc/53/75/55/745537555.db2.gz QIBMPWZSEHXGKU-HRCADAONSA-N 1 3 347.463 0.742 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000977818626 745537558 /nfs/dbraw/zinc/53/75/58/745537558.db2.gz QIBMPWZSEHXGKU-HRCADAONSA-N 1 3 347.463 0.742 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCN2CCNC2=O)C1)N(C)C ZINC001027578674 745768293 /nfs/dbraw/zinc/76/82/93/745768293.db2.gz QOLOWVQODQIYHX-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCN2CCNC2=O)C1)N(C)C ZINC001027578674 745768298 /nfs/dbraw/zinc/76/82/98/745768298.db2.gz QOLOWVQODQIYHX-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C[C@H]1CCN1C(=O)CN1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC000978037541 745812958 /nfs/dbraw/zinc/81/29/58/745812958.db2.gz RWIHDQSGGASREQ-MRXNPFEDSA-N 1 3 348.491 0.770 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001000917667 745897596 /nfs/dbraw/zinc/89/75/96/745897596.db2.gz LSPZJPGQVCDBMU-UONOGXRCSA-N 1 3 332.452 0.714 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001000917667 745897601 /nfs/dbraw/zinc/89/76/01/745897601.db2.gz LSPZJPGQVCDBMU-UONOGXRCSA-N 1 3 332.452 0.714 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000984215772 746059873 /nfs/dbraw/zinc/05/98/73/746059873.db2.gz RUHSVJNCHWZKNW-ZFWWWQNUSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000984215772 746059877 /nfs/dbraw/zinc/05/98/77/746059877.db2.gz RUHSVJNCHWZKNW-ZFWWWQNUSA-N 1 3 333.436 0.353 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000978231801 746064180 /nfs/dbraw/zinc/06/41/80/746064180.db2.gz IBGHWGLLPZCKQO-OFQRWUPVSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000978231801 746064187 /nfs/dbraw/zinc/06/41/87/746064187.db2.gz IBGHWGLLPZCKQO-OFQRWUPVSA-N 1 3 347.463 0.742 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978395444 746276301 /nfs/dbraw/zinc/27/63/01/746276301.db2.gz FOWWHBKKRVIULM-ZQDZILKHSA-N 1 3 334.464 0.043 20 0 ECADHO O=C(NCC1=CCN(CCn2cccn2)CC1)C12CC[NH+](CC1)C2 ZINC001001373291 746319133 /nfs/dbraw/zinc/31/91/33/746319133.db2.gz GONJAKJHBPLEOZ-UHFFFAOYSA-N 1 3 329.448 0.727 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001394032 746337247 /nfs/dbraw/zinc/33/72/47/746337247.db2.gz UAZQVRRUSXUUQZ-JKSUJKDBSA-N 1 3 338.496 0.951 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001394032 746337253 /nfs/dbraw/zinc/33/72/53/746337253.db2.gz UAZQVRRUSXUUQZ-JKSUJKDBSA-N 1 3 338.496 0.951 20 0 ECADHO C[NH+]1CCC(C(=O)NCC2CCN([C@H]3CCCNC3=O)CC2)CC1 ZINC001001794573 746728932 /nfs/dbraw/zinc/72/89/32/746728932.db2.gz HEYWQASMEYQSHF-INIZCTEOSA-N 1 3 336.480 0.435 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984702957 746861565 /nfs/dbraw/zinc/86/15/65/746861565.db2.gz AQBQNTSLFUCFAX-HNNXBMFYSA-N 1 3 345.447 0.497 20 0 ECADHO CCN1CC[C@@H](N2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001002042135 746916250 /nfs/dbraw/zinc/91/62/50/746916250.db2.gz BFHJSBOJCORLKS-MRXNPFEDSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC001002085687 746962767 /nfs/dbraw/zinc/96/27/67/746962767.db2.gz WTDWXRGSNLMWGH-DLBZAZTESA-N 1 3 348.491 0.243 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC000984809879 746966043 /nfs/dbraw/zinc/96/60/43/746966043.db2.gz SVIOPRWYLFACOO-SDADXPQNSA-N 1 3 347.463 0.667 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC000984809879 746966047 /nfs/dbraw/zinc/96/60/47/746966047.db2.gz SVIOPRWYLFACOO-SDADXPQNSA-N 1 3 347.463 0.667 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001002500542 747438950 /nfs/dbraw/zinc/43/89/50/747438950.db2.gz WZTPSLWBNJODCB-HNNXBMFYSA-N 1 3 347.463 0.505 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001002500542 747438954 /nfs/dbraw/zinc/43/89/54/747438954.db2.gz WZTPSLWBNJODCB-HNNXBMFYSA-N 1 3 347.463 0.505 20 0 ECADHO C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000979309525 747585727 /nfs/dbraw/zinc/58/57/27/747585727.db2.gz HBWVMMASPQLDAH-GOEBONIOSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H](NCc1cncn1C)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC000979367375 747714293 /nfs/dbraw/zinc/71/42/93/747714293.db2.gz FFCWXZFUUVNOQI-YOEHRIQHSA-N 1 3 349.479 0.467 20 0 ECADHO C[NH+](C)CCOCC(=O)NCC1CC(NCc2ccc(F)cn2)C1 ZINC001100870908 747778296 /nfs/dbraw/zinc/77/82/96/747778296.db2.gz RAXRZHRFQJQQCP-UHFFFAOYSA-N 1 3 338.427 0.783 20 0 ECADHO C[C@H](NCc1cccnc1)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979437198 747837396 /nfs/dbraw/zinc/83/73/96/747837396.db2.gz AIQVOQNTUJYATN-RDJZCZTQSA-N 1 3 344.459 0.883 20 0 ECADHO O=C(NC1CCN(CCO)CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001003011792 748069287 /nfs/dbraw/zinc/06/92/87/748069287.db2.gz RSJNHAYSACUELX-MRXNPFEDSA-N 1 3 325.453 0.203 20 0 ECADHO O=C(NC1CCN(CCO)CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001003011792 748069294 /nfs/dbraw/zinc/06/92/94/748069294.db2.gz RSJNHAYSACUELX-MRXNPFEDSA-N 1 3 325.453 0.203 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC000985521396 748392532 /nfs/dbraw/zinc/39/25/32/748392532.db2.gz NLVJYGQDQNVNED-ZBFHGGJFSA-N 1 3 338.496 0.903 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC000985521396 748392539 /nfs/dbraw/zinc/39/25/39/748392539.db2.gz NLVJYGQDQNVNED-ZBFHGGJFSA-N 1 3 338.496 0.903 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(CNC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC001003302038 748398423 /nfs/dbraw/zinc/39/84/23/748398423.db2.gz SMJCDFDKIUEUDG-MRXNPFEDSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCn2cncn2)C1)C1CC1 ZINC001088325833 748728591 /nfs/dbraw/zinc/72/85/91/748728591.db2.gz AAAMWHSJHFNFMK-IRXDYDNUSA-N 1 3 348.495 0.979 20 0 ECADHO CN(CC(N)=O)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000985646028 748783627 /nfs/dbraw/zinc/78/36/27/748783627.db2.gz GTPWKKRALOROHI-KRWDZBQOSA-N 1 3 342.459 0.607 20 0 ECADHO CN(CC(N)=O)C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000985646028 748783631 /nfs/dbraw/zinc/78/36/31/748783631.db2.gz GTPWKKRALOROHI-KRWDZBQOSA-N 1 3 342.459 0.607 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001088381867 748981074 /nfs/dbraw/zinc/98/10/74/748981074.db2.gz OWQAKEQZFFHTIQ-DLBZAZTESA-N 1 3 348.495 0.981 20 0 ECADHO CN(Cc1cncn1C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985754445 749015341 /nfs/dbraw/zinc/01/53/41/749015341.db2.gz CJWAARUWPDRGRF-UHFFFAOYSA-N 1 3 331.464 0.939 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)CC1 ZINC001088408106 749070455 /nfs/dbraw/zinc/07/04/55/749070455.db2.gz NCERVKDJELGNEU-MRXNPFEDSA-N 1 3 338.496 0.953 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001003975031 749097831 /nfs/dbraw/zinc/09/78/31/749097831.db2.gz QCZVQUPFWAZZFN-UHFFFAOYSA-N 1 3 346.479 0.571 20 0 ECADHO CN(Cc1ccc(C(N)=O)cc1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980397597 749492040 /nfs/dbraw/zinc/49/20/40/749492040.db2.gz QCAGOMBEJHNBQI-SJORKVTESA-N 1 3 344.459 0.770 20 0 ECADHO CN(Cc1ccc(C(N)=O)cc1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980397597 749492045 /nfs/dbraw/zinc/49/20/45/749492045.db2.gz QCAGOMBEJHNBQI-SJORKVTESA-N 1 3 344.459 0.770 20 0 ECADHO C[N@H+](C[C@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405867 749505762 /nfs/dbraw/zinc/50/57/62/749505762.db2.gz LRGMULHMPAWDSI-HUUCEWRRSA-N 1 3 332.452 0.394 20 0 ECADHO C[N@@H+](C[C@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405867 749505768 /nfs/dbraw/zinc/50/57/68/749505768.db2.gz LRGMULHMPAWDSI-HUUCEWRRSA-N 1 3 332.452 0.394 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000986126653 749588190 /nfs/dbraw/zinc/58/81/90/749588190.db2.gz HAGRTEFFFDHLQD-KFWWJZLASA-N 1 3 345.447 0.211 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000986126653 749588194 /nfs/dbraw/zinc/58/81/94/749588194.db2.gz HAGRTEFFFDHLQD-KFWWJZLASA-N 1 3 345.447 0.211 20 0 ECADHO C[C@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)CN(C)C1CCC1 ZINC000986353803 749809979 /nfs/dbraw/zinc/80/99/79/749809979.db2.gz JKFDJDWACTWDEG-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986355260 749812182 /nfs/dbraw/zinc/81/21/82/749812182.db2.gz MIBDOKGNEHHPDF-WMLDXEAASA-N 1 3 346.475 0.949 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)nn1 ZINC000980800242 750179634 /nfs/dbraw/zinc/17/96/34/750179634.db2.gz OGNHICFIAWOUIC-GJZGRUSLSA-N 1 3 347.463 0.908 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001112212278 750203574 /nfs/dbraw/zinc/20/35/74/750203574.db2.gz XNSPTTQVPHIMNE-IJLUTSLNSA-N 1 3 325.375 0.686 20 0 ECADHO CNC(=O)CNC[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001105437271 750211061 /nfs/dbraw/zinc/21/10/61/750211061.db2.gz SYUPHDSHYUGWKF-UWUNEBHHSA-N 1 3 346.475 0.490 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCNC(=O)C2CC2)CC1 ZINC001167835940 750490040 /nfs/dbraw/zinc/49/00/40/750490040.db2.gz LHWPRDRVKCOKCH-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO C[C@H]1[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCN1C(=O)CN1CCCC1 ZINC000987517203 750924172 /nfs/dbraw/zinc/92/41/72/750924172.db2.gz HUNXBOZNTRRPAO-WMLDXEAASA-N 1 3 344.459 0.960 20 0 ECADHO COc1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)c(C)n1 ZINC000987520611 750938475 /nfs/dbraw/zinc/93/84/75/750938475.db2.gz SERAINZXMHXASD-GOEBONIOSA-N 1 3 347.463 0.968 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001051447859 762092397 /nfs/dbraw/zinc/09/23/97/762092397.db2.gz KCDWMZWFCBOOCC-UKRRQHHQSA-N 1 3 349.479 0.956 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001021092322 752532818 /nfs/dbraw/zinc/53/28/18/752532818.db2.gz KFHOEXLVDRTZEL-JYJNAYRXSA-N 1 3 336.480 0.720 20 0 ECADHO CCn1nncc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001021096017 752535703 /nfs/dbraw/zinc/53/57/03/752535703.db2.gz FZNRUYUCNNFSPH-IIAWOOMASA-N 1 3 334.468 0.909 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000982544017 752843624 /nfs/dbraw/zinc/84/36/24/752843624.db2.gz AXNQBXNUTQTYBR-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000982777875 753531093 /nfs/dbraw/zinc/53/10/93/753531093.db2.gz HSPPFLOUVBXLPS-WBVHZDCISA-N 1 3 348.491 0.389 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@]3(C)CN(CCn4cncn4)C[C@@]3(C)C2)C1 ZINC000982798353 753761775 /nfs/dbraw/zinc/76/17/75/753761775.db2.gz NHWQFMVLADIDEU-RYQLBKOJSA-N 1 3 346.479 0.400 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@]3(C)CN(CCn4cncn4)C[C@@]3(C)C2)C1 ZINC000982798353 753761782 /nfs/dbraw/zinc/76/17/82/753761782.db2.gz NHWQFMVLADIDEU-RYQLBKOJSA-N 1 3 346.479 0.400 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605875 754186670 /nfs/dbraw/zinc/18/66/70/754186670.db2.gz NDLASIDLYFPEBG-JKSUJKDBSA-N 1 3 334.468 0.589 20 0 ECADHO Cc1nn(C)cc1CN[C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989685053 754304759 /nfs/dbraw/zinc/30/47/59/754304759.db2.gz YCGAQIDJOFLCRV-XJKSGUPXSA-N 1 3 331.464 0.903 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925330971 755011512 /nfs/dbraw/zinc/01/15/12/755011512.db2.gz VYWKESDPCRXOOI-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925330971 755011517 /nfs/dbraw/zinc/01/15/17/755011517.db2.gz VYWKESDPCRXOOI-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001060037615 755217259 /nfs/dbraw/zinc/21/72/59/755217259.db2.gz JJLNBKSUQAIYJX-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001010727004 756448756 /nfs/dbraw/zinc/44/87/56/756448756.db2.gz BUWJBEMSJJOEFF-CVEARBPZSA-N 1 3 334.464 0.093 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051616298 762482532 /nfs/dbraw/zinc/48/25/32/762482532.db2.gz IKQCVPCEPMZXJY-DLBZAZTESA-N 1 3 347.463 0.079 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001076745977 756951923 /nfs/dbraw/zinc/95/19/23/756951923.db2.gz YPZDBBAMNXEDFE-RRFJBIMHSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076745977 756951925 /nfs/dbraw/zinc/95/19/25/756951925.db2.gz YPZDBBAMNXEDFE-RRFJBIMHSA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C1)N(C)C ZINC001048887799 757300912 /nfs/dbraw/zinc/30/09/12/757300912.db2.gz DUEALITYJGMIOU-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2C1)N(C)C ZINC001048887799 757300921 /nfs/dbraw/zinc/30/09/21/757300921.db2.gz DUEALITYJGMIOU-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)C2(N(C)C)CCC2)CC1)[NH+](C)C ZINC001011262435 757323625 /nfs/dbraw/zinc/32/36/25/757323625.db2.gz HCMVFOQTTDKPBA-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C)C(N)=O ZINC000996310805 757337723 /nfs/dbraw/zinc/33/77/23/757337723.db2.gz PTMFLXUWTGTREF-ZIAGYGMSSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000996315209 757349618 /nfs/dbraw/zinc/34/96/18/757349618.db2.gz QWCSJPBDLVUMMD-KSSFIOAISA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC000996344703 757362232 /nfs/dbraw/zinc/36/22/32/757362232.db2.gz XFHSYXQKJDQXJM-HNNXBMFYSA-N 1 3 334.464 0.282 20 0 ECADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944317 757479878 /nfs/dbraw/zinc/47/98/78/757479878.db2.gz SSVZKNKZVGQOHX-AMBDVVEUSA-N 1 3 349.475 0.275 20 0 ECADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944317 757479882 /nfs/dbraw/zinc/47/98/82/757479882.db2.gz SSVZKNKZVGQOHX-AMBDVVEUSA-N 1 3 349.475 0.275 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001049025851 757729650 /nfs/dbraw/zinc/72/96/50/757729650.db2.gz YVXPVDYTBAKCES-CWRNSKLLSA-N 1 3 348.491 0.386 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001076955783 757740833 /nfs/dbraw/zinc/74/08/33/757740833.db2.gz AJMXMLUKZBJZRF-BBRMVZONSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001049056989 757806804 /nfs/dbraw/zinc/80/68/04/757806804.db2.gz GYZLRRIVVBOUMZ-ZACQAIPSSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001049056989 757806818 /nfs/dbraw/zinc/80/68/18/757806818.db2.gz GYZLRRIVVBOUMZ-ZACQAIPSSA-N 1 3 348.491 0.483 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996506572 757814621 /nfs/dbraw/zinc/81/46/21/757814621.db2.gz MQYXNKIZOQVTGN-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996506572 757814632 /nfs/dbraw/zinc/81/46/32/757814632.db2.gz MQYXNKIZOQVTGN-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996561468 758051452 /nfs/dbraw/zinc/05/14/52/758051452.db2.gz PKPLEXCQQYJSRH-MRXNPFEDSA-N 1 3 331.464 0.843 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21)C1CCC1 ZINC001021941246 758087709 /nfs/dbraw/zinc/08/77/09/758087709.db2.gz JPUYXDVNHGXHJP-YQQAZPJKSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21)C1CCC1 ZINC001021941246 758087719 /nfs/dbraw/zinc/08/77/19/758087719.db2.gz JPUYXDVNHGXHJP-YQQAZPJKSA-N 1 3 348.491 0.482 20 0 ECADHO Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC2)cn1 ZINC000996617364 758252857 /nfs/dbraw/zinc/25/28/57/758252857.db2.gz ALGMNRPCKZTWPH-DLBZAZTESA-N 1 3 347.463 0.364 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H](NCc3ccns3)C2)n1 ZINC001022096892 758270926 /nfs/dbraw/zinc/27/09/26/758270926.db2.gz NOASBWPCNUSYIM-BETUJISGSA-N 1 3 348.476 0.952 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccns2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022121146 758304801 /nfs/dbraw/zinc/30/48/01/758304801.db2.gz YIMOEUVVXJQSIT-SFDCQRBFSA-N 1 3 336.461 0.743 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccns2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001022121146 758304811 /nfs/dbraw/zinc/30/48/11/758304811.db2.gz YIMOEUVVXJQSIT-SFDCQRBFSA-N 1 3 336.461 0.743 20 0 ECADHO CN(C)C1(C(=O)N2CCC([NH2+][C@H]3CCCN(C)C3=O)CC2)CCC1 ZINC000996662148 758377299 /nfs/dbraw/zinc/37/72/99/758377299.db2.gz DBYZLBNSWONCDL-HNNXBMFYSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)C1 ZINC001022196950 758407017 /nfs/dbraw/zinc/40/70/17/758407017.db2.gz VKBGQHAUAWPAHD-SOUVJXGZSA-N 1 3 334.468 0.530 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)C1 ZINC001022196950 758407022 /nfs/dbraw/zinc/40/70/22/758407022.db2.gz VKBGQHAUAWPAHD-SOUVJXGZSA-N 1 3 334.468 0.530 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001077182236 758433686 /nfs/dbraw/zinc/43/36/86/758433686.db2.gz HBXYENZZTYNCCT-DZGCQCFKSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001077184661 758442561 /nfs/dbraw/zinc/44/25/61/758442561.db2.gz QCRLMLZZIUKJBD-AWEZNQCLSA-N 1 3 326.485 0.679 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000996676386 758445877 /nfs/dbraw/zinc/44/58/77/758445877.db2.gz NGKRUQNLLYAQPH-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@H](NC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)c1nncn1C ZINC000996680200 758455359 /nfs/dbraw/zinc/45/53/59/758455359.db2.gz UGTMAOXFYGUAMX-WFASDCNBSA-N 1 3 334.468 0.797 20 0 ECADHO C[C@H](NC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1nncn1C ZINC000996680198 758455492 /nfs/dbraw/zinc/45/54/92/758455492.db2.gz UGTMAOXFYGUAMX-SWLSCSKDSA-N 1 3 334.468 0.797 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022455206 758746180 /nfs/dbraw/zinc/74/61/80/758746180.db2.gz LIJXIWWIHCWDQJ-JULPMKOJSA-N 1 3 348.472 0.743 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001022710330 759022780 /nfs/dbraw/zinc/02/27/80/759022780.db2.gz FDHDWVNELQPRMG-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2CCn1cncn1)[NH+](C)C ZINC001049711587 759118375 /nfs/dbraw/zinc/11/83/75/759118375.db2.gz NBWYEMFFAJFIGM-GVDBMIGSSA-N 1 3 348.495 0.930 20 0 ECADHO C[C@@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047971102 759757884 /nfs/dbraw/zinc/75/78/84/759757884.db2.gz BSWPXVPXSGYDBG-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047971102 759757890 /nfs/dbraw/zinc/75/78/90/759757890.db2.gz BSWPXVPXSGYDBG-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC001050202171 759929218 /nfs/dbraw/zinc/92/92/18/759929218.db2.gz MJLIERLDGWWONH-YESZJQIVSA-N 1 3 348.491 0.483 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC001050202171 759929221 /nfs/dbraw/zinc/92/92/21/759929221.db2.gz MJLIERLDGWWONH-YESZJQIVSA-N 1 3 348.491 0.483 20 0 ECADHO CN(CC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001050222279 759968295 /nfs/dbraw/zinc/96/82/95/759968295.db2.gz KVUYRZSKEUTFQX-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000945381518 760127603 /nfs/dbraw/zinc/12/76/03/760127603.db2.gz LCFKFEHRZVKGHC-FVQBIDKESA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000945381518 760127606 /nfs/dbraw/zinc/12/76/06/760127606.db2.gz LCFKFEHRZVKGHC-FVQBIDKESA-N 1 3 336.480 0.528 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001048278569 760207561 /nfs/dbraw/zinc/20/75/61/760207561.db2.gz YUJMZFSHVABVQN-LSDHHAIUSA-N 1 3 348.495 0.966 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001050389518 760218398 /nfs/dbraw/zinc/21/83/98/760218398.db2.gz SGDAEYJRRYNSQR-KKUMJFAQSA-N 1 3 347.463 0.756 20 0 ECADHO Cc1nnc(CNC[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001050391029 760219546 /nfs/dbraw/zinc/21/95/46/760219546.db2.gz YJARRTRCGDGLNQ-RBSFLKMASA-N 1 3 334.468 0.829 20 0 ECADHO Cc1nnc(CNC[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001050391029 760219554 /nfs/dbraw/zinc/21/95/54/760219554.db2.gz YJARRTRCGDGLNQ-RBSFLKMASA-N 1 3 334.468 0.829 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000911163406 760224236 /nfs/dbraw/zinc/22/42/36/760224236.db2.gz YAJFMMICJOSYDU-HDMKZQKVSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CNCc1cn(C)nn1 ZINC001048305398 760265079 /nfs/dbraw/zinc/26/50/79/760265079.db2.gz SPYURKLVYJRPMJ-GJZGRUSLSA-N 1 3 346.479 0.628 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001012564565 760298163 /nfs/dbraw/zinc/29/81/63/760298163.db2.gz XGTNOAYMVBVZAM-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001012564565 760298170 /nfs/dbraw/zinc/29/81/70/760298170.db2.gz XGTNOAYMVBVZAM-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001050519505 760416281 /nfs/dbraw/zinc/41/62/81/760416281.db2.gz KBSFOKXKOXQRTE-HZPDHXFCSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001050519505 760416283 /nfs/dbraw/zinc/41/62/83/760416283.db2.gz KBSFOKXKOXQRTE-HZPDHXFCSA-N 1 3 348.491 0.672 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2)C1CC1 ZINC001050545940 760467127 /nfs/dbraw/zinc/46/71/27/760467127.db2.gz IEOMSDBYZJWEDS-LSDHHAIUSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598341 760549992 /nfs/dbraw/zinc/54/99/92/760549992.db2.gz CDCWCZYDOVCWFQ-HITAIPBASA-N 1 3 349.475 0.155 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001050643975 760620021 /nfs/dbraw/zinc/62/00/21/760620021.db2.gz ZFFWXOXFNZDPMQ-HNNXBMFYSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001050662486 760637099 /nfs/dbraw/zinc/63/70/99/760637099.db2.gz IPEOWIINGWNCNT-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)C1 ZINC001050661840 760637354 /nfs/dbraw/zinc/63/73/54/760637354.db2.gz DISLCKMUVQSBNC-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)C1 ZINC001050661840 760637357 /nfs/dbraw/zinc/63/73/57/760637357.db2.gz DISLCKMUVQSBNC-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1NCC(=O)N1CCC1 ZINC000995824505 760658518 /nfs/dbraw/zinc/65/85/18/760658518.db2.gz PUSCCEJUYDQJJW-CVEARBPZSA-N 1 3 348.491 0.387 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050727198 760737864 /nfs/dbraw/zinc/73/78/64/760737864.db2.gz HYEHPBOHZJNHCK-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050727198 760737873 /nfs/dbraw/zinc/73/78/73/760737873.db2.gz HYEHPBOHZJNHCK-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)CN4CCCC4)C3)CC2)C1=O ZINC001050755058 760783638 /nfs/dbraw/zinc/78/36/38/760783638.db2.gz HJJQXIJMMANUOR-MRXNPFEDSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1)[NH+]1CCCCCC1 ZINC000991411947 760783671 /nfs/dbraw/zinc/78/36/71/760783671.db2.gz CEIITWULDYIOGB-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1nn(C)cc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C1 ZINC001048719638 761023496 /nfs/dbraw/zinc/02/34/96/761023496.db2.gz CCVGHGKWSAUODT-BBWFWOEESA-N 1 3 331.464 0.713 20 0 ECADHO Cc1nn(C)cc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C1 ZINC001048719638 761023503 /nfs/dbraw/zinc/02/35/03/761023503.db2.gz CCVGHGKWSAUODT-BBWFWOEESA-N 1 3 331.464 0.713 20 0 ECADHO Cc1nc(C)n(CC[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]3C2)n1 ZINC001048720203 761024979 /nfs/dbraw/zinc/02/49/79/761024979.db2.gz IOYLDJJWGANTBI-IXDOHACOSA-N 1 3 346.479 0.379 20 0 ECADHO Cc1nc(C)n(CC[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]3C2)n1 ZINC001048720203 761024989 /nfs/dbraw/zinc/02/49/89/761024989.db2.gz IOYLDJJWGANTBI-IXDOHACOSA-N 1 3 346.479 0.379 20 0 ECADHO Cc1cc(C)n(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]3C2)n1 ZINC001048723342 761038985 /nfs/dbraw/zinc/03/89/85/761038985.db2.gz CNAASLZTBPKAPU-KSZLIROESA-N 1 3 345.491 0.984 20 0 ECADHO Cc1cc(C)n(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]3C2)n1 ZINC001048723342 761038990 /nfs/dbraw/zinc/03/89/90/761038990.db2.gz CNAASLZTBPKAPU-KSZLIROESA-N 1 3 345.491 0.984 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000991479343 761139500 /nfs/dbraw/zinc/13/95/00/761139500.db2.gz NUMCNSBTQBWZDP-GOEBONIOSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000991479343 761139503 /nfs/dbraw/zinc/13/95/03/761139503.db2.gz NUMCNSBTQBWZDP-GOEBONIOSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001017464496 768011803 /nfs/dbraw/zinc/01/18/03/768011803.db2.gz IISNEWISNOFRBA-NVXWUHKLSA-N 1 3 348.491 0.555 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001017464496 768011808 /nfs/dbraw/zinc/01/18/08/768011808.db2.gz IISNEWISNOFRBA-NVXWUHKLSA-N 1 3 348.491 0.555 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106245117 768011940 /nfs/dbraw/zinc/01/19/40/768011940.db2.gz ZUPUNIQJCLWTJV-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001051699963 762728165 /nfs/dbraw/zinc/72/81/65/762728165.db2.gz UJKZDAFIRFVVKO-INIZCTEOSA-N 1 3 347.463 0.366 20 0 ECADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1)N(C)C ZINC001051829101 763065481 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ZINC001106312395 768137391 /nfs/dbraw/zinc/13/73/91/768137391.db2.gz FHLDMTKKZZKNTF-BZUAXINKSA-N 1 3 329.485 0.674 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052026167 763618851 /nfs/dbraw/zinc/61/88/51/763618851.db2.gz BDUJLOWQSPJGHQ-ZWKOTPCHSA-N 1 3 334.508 0.955 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC(=O)N2CCC2)C3)CC1 ZINC001047139638 763714190 /nfs/dbraw/zinc/71/41/90/763714190.db2.gz YKVHQJOAHMILSX-XIRDDKMYSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1)N(C)C ZINC000995148037 763745147 /nfs/dbraw/zinc/74/51/47/763745147.db2.gz OUCHJFHXYCFWAT-CVEARBPZSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1)N(C)C ZINC000995148037 763745155 /nfs/dbraw/zinc/74/51/55/763745155.db2.gz OUCHJFHXYCFWAT-CVEARBPZSA-N 1 3 338.496 0.774 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1 ZINC001106339797 768165019 /nfs/dbraw/zinc/16/50/19/768165019.db2.gz AQJBFEOBZQRNRM-KFWWJZLASA-N 1 3 329.485 0.408 20 0 ECADHO Cn1ccnc1CNC[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169884 763858236 /nfs/dbraw/zinc/85/82/36/763858236.db2.gz VROUMAOTFOFBBL-CABCVRRESA-N 1 3 331.464 0.890 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(CC3CC(F)(F)C3)C[C@@H]2O)CC[N@@H+]1C ZINC001047384907 764180937 /nfs/dbraw/zinc/18/09/37/764180937.db2.gz NGNCRZOBCDNKIA-RZFFKMDDSA-N 1 3 345.434 0.875 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(CC3CC(F)(F)C3)C[C@@H]2O)CC[N@H+]1C ZINC001047384907 764180945 /nfs/dbraw/zinc/18/09/45/764180945.db2.gz NGNCRZOBCDNKIA-RZFFKMDDSA-N 1 3 345.434 0.875 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)NCC2CN(C[C@H]3CCCCO3)C2)cn1 ZINC001032043374 764272859 /nfs/dbraw/zinc/27/28/59/764272859.db2.gz GOLZHMQXJJYJSM-QGZVFWFLSA-N 1 3 349.479 0.675 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000991885239 764311766 /nfs/dbraw/zinc/31/17/66/764311766.db2.gz SRLHTCMDUIIHRH-JKSUJKDBSA-N 1 3 336.480 0.241 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CC2CCOCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015326185 764375366 /nfs/dbraw/zinc/37/53/66/764375366.db2.gz YGIMDYRFNMSVAT-VZDIDWBNSA-N 1 3 349.475 0.467 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](CC2CCOCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015326185 764375370 /nfs/dbraw/zinc/37/53/70/764375370.db2.gz YGIMDYRFNMSVAT-VZDIDWBNSA-N 1 3 349.475 0.467 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052529911 764700025 /nfs/dbraw/zinc/70/00/25/764700025.db2.gz UTJYSECXOHUKEM-GJZGRUSLSA-N 1 3 336.480 0.849 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000992009927 765144024 /nfs/dbraw/zinc/14/40/24/765144024.db2.gz OKLDRALOWCSXAD-GJZGRUSLSA-N 1 3 331.420 0.296 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000992009927 765144029 /nfs/dbraw/zinc/14/40/29/765144029.db2.gz OKLDRALOWCSXAD-GJZGRUSLSA-N 1 3 331.420 0.296 20 0 ECADHO Cn1cc(CCN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001015796928 765335833 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/nfs/dbraw/zinc/71/56/97/766715697.db2.gz FXBIOLMDVOHYGR-BXWFABGCSA-N 1 3 348.491 0.674 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(CCN2CCNC2=O)CC3)C1 ZINC000992510864 766747268 /nfs/dbraw/zinc/74/72/68/766747268.db2.gz YARBEJPZIFKGQW-MPGHIAIKSA-N 1 3 349.479 0.077 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(CCN2CCNC2=O)CC3)C1 ZINC000992510864 766747285 /nfs/dbraw/zinc/74/72/85/766747285.db2.gz YARBEJPZIFKGQW-MPGHIAIKSA-N 1 3 349.479 0.077 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707529 766767762 /nfs/dbraw/zinc/76/77/62/766767762.db2.gz WMIKXJXNNQRCFO-CABCVRRESA-N 1 3 348.491 0.849 20 0 ECADHO CC(C)(C(=O)N[C@@H]1CC12CCN([C@H]1CCNC1=O)CC2)[NH+]1CCCC1 ZINC001016762187 766863834 /nfs/dbraw/zinc/86/38/34/766863834.db2.gz XGVOAJOWRSUHBJ-LSDHHAIUSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000994855626 767045002 /nfs/dbraw/zinc/04/50/02/767045002.db2.gz SLGPJNGNJDVWBN-GJZGRUSLSA-N 1 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ZINC001212298187 767184972 /nfs/dbraw/zinc/18/49/72/767184972.db2.gz XZXVJQHNEBYBPD-KLHDSHLOSA-N 1 3 327.469 0.569 20 0 ECADHO CCOCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212298187 767184976 /nfs/dbraw/zinc/18/49/76/767184976.db2.gz XZXVJQHNEBYBPD-KLHDSHLOSA-N 1 3 327.469 0.569 20 0 ECADHO CCCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780181 767294129 /nfs/dbraw/zinc/29/41/29/767294129.db2.gz RJKOYJLGSKFHPW-ZBFHGGJFSA-N 1 3 334.468 0.893 20 0 ECADHO CCCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780181 767294134 /nfs/dbraw/zinc/29/41/34/767294134.db2.gz RJKOYJLGSKFHPW-ZBFHGGJFSA-N 1 3 334.468 0.893 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001060463647 767470381 /nfs/dbraw/zinc/47/03/81/767470381.db2.gz ZZBXLSRCWFNSBJ-AWEZNQCLSA-N 1 3 345.447 0.403 20 0 ECADHO Cn1nncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000992833955 767662740 /nfs/dbraw/zinc/66/27/40/767662740.db2.gz MMJDHPHAMQOWQI-APHBMKBZSA-N 1 3 343.435 0.498 20 0 ECADHO CN(C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCNC1=O ZINC001017250722 767770121 /nfs/dbraw/zinc/77/01/21/767770121.db2.gz IMVOTFUODFFHJX-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)N(C)C ZINC001106633355 768530357 /nfs/dbraw/zinc/53/03/57/768530357.db2.gz GWEDRTWLFHMCTE-BZUAXINKSA-N 1 3 329.485 0.266 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCn3cccn3)[C@H](C)C2)C1 ZINC001106666563 768579436 /nfs/dbraw/zinc/57/94/36/768579436.db2.gz OPKYVUCQPPXHDD-GVDBMIGSSA-N 1 3 333.480 0.909 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1)N(C)C ZINC001106673879 768584532 /nfs/dbraw/zinc/58/45/32/768584532.db2.gz OLAJPLXTXPKKDD-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705084 768694410 /nfs/dbraw/zinc/69/44/10/768694410.db2.gz QREQPKWQIHIKLR-QLFBSQMISA-N 1 3 349.479 0.797 20 0 ECADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)NC1CC1 ZINC001106705114 768694443 /nfs/dbraw/zinc/69/44/43/768694443.db2.gz RSGLLUDKESFTDR-FRRDWIJNSA-N 1 3 333.436 0.303 20 0 ECADHO C[NH+](C)CCCCC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001055412056 768870811 /nfs/dbraw/zinc/87/08/11/768870811.db2.gz ZKOJWMRQWZRPNE-GASCZTMLSA-N 1 3 347.463 0.601 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000993868405 769816056 /nfs/dbraw/zinc/81/60/56/769816056.db2.gz XZHWLTUYWWELGI-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993868405 769816072 /nfs/dbraw/zinc/81/60/72/769816072.db2.gz XZHWLTUYWWELGI-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1)N(C)C ZINC000993933201 769849854 /nfs/dbraw/zinc/84/98/54/769849854.db2.gz SBQNNCCSHCWNLM-HOCLYGCPSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1)N(C)C ZINC000993933201 769849863 /nfs/dbraw/zinc/84/98/63/769849863.db2.gz SBQNNCCSHCWNLM-HOCLYGCPSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)C1 ZINC001018881124 770184589 /nfs/dbraw/zinc/18/45/89/770184589.db2.gz ZFDIQKWRNAOYFM-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)C1 ZINC001018881124 770184590 /nfs/dbraw/zinc/18/45/90/770184590.db2.gz ZFDIQKWRNAOYFM-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1)C1CC1 ZINC001018966502 770422401 /nfs/dbraw/zinc/42/24/01/770422401.db2.gz KSKSUCIIRQQLLS-IRXDYDNUSA-N 1 3 344.459 0.816 20 0 ECADHO CN(CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1)C1CCC1 ZINC001018972736 770437151 /nfs/dbraw/zinc/43/71/51/770437151.db2.gz MEVWKPJXSVAFSR-WMLDXEAASA-N 1 3 348.491 0.815 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCn2c(C)csc2=O)C1)N(C)C ZINC001019033579 770611601 /nfs/dbraw/zinc/61/16/01/770611601.db2.gz UBYUAFGBJCRBIW-UONOGXRCSA-N 1 3 340.493 0.749 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001078395506 782859023 /nfs/dbraw/zinc/85/90/23/782859023.db2.gz GVHRZPKLRKXNBF-HOCLYGCPSA-N 1 3 328.501 0.925 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001078395506 782859027 /nfs/dbraw/zinc/85/90/27/782859027.db2.gz GVHRZPKLRKXNBF-HOCLYGCPSA-N 1 3 328.501 0.925 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[NH+](C)C ZINC001056442140 771271330 /nfs/dbraw/zinc/27/13/30/771271330.db2.gz AJAGTPWCFBYHDQ-CVEARBPZSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001019441472 771289450 /nfs/dbraw/zinc/28/94/50/771289450.db2.gz MAFLVELZWDKKMN-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001019441472 771289454 /nfs/dbraw/zinc/28/94/54/771289454.db2.gz MAFLVELZWDKKMN-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO CNC(=O)c1ccc(CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001127474006 771298590 /nfs/dbraw/zinc/29/85/90/771298590.db2.gz FNAIRTRDXNMUAI-KRWDZBQOSA-N 1 3 344.459 0.594 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC1CCCCC1 ZINC001127475273 771305643 /nfs/dbraw/zinc/30/56/43/771305643.db2.gz SAZGKNJCNDBISC-MRXNPFEDSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccccc1 ZINC001127475151 771305828 /nfs/dbraw/zinc/30/58/28/771305828.db2.gz RSKYXPOLMUOBTG-KRWDZBQOSA-N 1 3 344.459 0.350 20 0 ECADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475774 771308624 /nfs/dbraw/zinc/30/86/24/771308624.db2.gz YOWSWOBKJDJIRE-GOEBONIOSA-N 1 3 336.480 0.435 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CC[C@@H](n2cc(CNCC3CC3)nn2)C1)C1CC1 ZINC001089584144 771582547 /nfs/dbraw/zinc/58/25/47/771582547.db2.gz LVEIXWRFLVKRJH-IAGOWNOFSA-N 1 3 346.479 0.891 20 0 ECADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001019810965 771825791 /nfs/dbraw/zinc/82/57/91/771825791.db2.gz TUHNPGROUJTJDE-HOTGVXAUSA-N 1 3 332.448 0.816 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001020150223 772219973 /nfs/dbraw/zinc/21/99/73/772219973.db2.gz OJCVRSBABPSPJR-KBUPBQIOSA-N 1 3 332.452 0.426 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001020150223 772219974 /nfs/dbraw/zinc/21/99/74/772219974.db2.gz OJCVRSBABPSPJR-KBUPBQIOSA-N 1 3 332.452 0.426 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccc(F)cn2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020178995 772249706 /nfs/dbraw/zinc/24/97/06/772249706.db2.gz KUXNZISANBZCLJ-QBPKDAKJSA-N 1 3 348.422 0.821 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccc(F)cn2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001020178995 772249709 /nfs/dbraw/zinc/24/97/09/772249709.db2.gz KUXNZISANBZCLJ-QBPKDAKJSA-N 1 3 348.422 0.821 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001078467721 783003702 /nfs/dbraw/zinc/00/37/02/783003702.db2.gz MCVWNIMMIDEMIW-GJZGRUSLSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001078467721 783003711 /nfs/dbraw/zinc/00/37/11/783003711.db2.gz MCVWNIMMIDEMIW-GJZGRUSLSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)CC[N@@H+]1C ZINC001020274333 772386818 /nfs/dbraw/zinc/38/68/18/772386818.db2.gz TZJAOWMKIXTEBZ-QXSJWSMHSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)CC[N@H+]1C ZINC001020274333 772386821 /nfs/dbraw/zinc/38/68/21/772386821.db2.gz TZJAOWMKIXTEBZ-QXSJWSMHSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406867 772550927 /nfs/dbraw/zinc/55/09/27/772550927.db2.gz COFKZOYDYGGTMI-RDGXSEFMSA-N 1 3 349.475 0.656 20 0 ECADHO CC[C@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001040641625 783161112 /nfs/dbraw/zinc/16/11/12/783161112.db2.gz SFQNHVQAVQYOHL-CABCVRRESA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751124 774578140 /nfs/dbraw/zinc/57/81/40/774578140.db2.gz QPFZSAGBFOBWGH-UONOGXRCSA-N 1 3 333.436 0.544 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001045105725 774987712 /nfs/dbraw/zinc/98/77/12/774987712.db2.gz HTOFYOCIIVONRN-AWEZNQCLSA-N 1 3 332.452 0.524 20 0 ECADHO COc1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)c(C)n1 ZINC001045310744 775381397 /nfs/dbraw/zinc/38/13/97/775381397.db2.gz TWQJETLKZWRDEQ-INIZCTEOSA-N 1 3 347.463 0.970 20 0 ECADHO C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN(C)C1CCC1 ZINC001044628026 776539382 /nfs/dbraw/zinc/53/93/82/776539382.db2.gz FDKHMAIYOPGHRY-UONOGXRCSA-N 1 3 334.468 0.769 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001079816613 776930268 /nfs/dbraw/zinc/93/02/68/776930268.db2.gz MCCKWTSVELEASS-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001079816613 776930273 /nfs/dbraw/zinc/93/02/73/776930273.db2.gz MCCKWTSVELEASS-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001079816758 776931401 /nfs/dbraw/zinc/93/14/01/776931401.db2.gz RYCXWUXNRSORFK-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079816758 776931404 /nfs/dbraw/zinc/93/14/04/776931404.db2.gz RYCXWUXNRSORFK-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001080379443 777771086 /nfs/dbraw/zinc/77/10/86/777771086.db2.gz ZKLRDJZBUZROLH-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001080384456 777777344 /nfs/dbraw/zinc/77/73/44/777777344.db2.gz YXBOYBHZMRHDAN-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080557643 778023296 /nfs/dbraw/zinc/02/32/96/778023296.db2.gz BOMWVFQBISJMMB-GDBMZVCRSA-N 1 3 338.496 0.584 20 0 ECADHO CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080557643 778023303 /nfs/dbraw/zinc/02/33/03/778023303.db2.gz BOMWVFQBISJMMB-GDBMZVCRSA-N 1 3 338.496 0.584 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078507323 780041594 /nfs/dbraw/zinc/04/15/94/780041594.db2.gz AKOOUYKEEVNJTO-HOCLYGCPSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078507323 780041598 /nfs/dbraw/zinc/04/15/98/780041598.db2.gz AKOOUYKEEVNJTO-HOCLYGCPSA-N 1 3 335.452 0.079 20 0 ECADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2)N1CCCCC1 ZINC001078625758 780269200 /nfs/dbraw/zinc/26/92/00/780269200.db2.gz GJCGBOPIIWCKBL-KBPBESRZSA-N 1 3 336.480 0.753 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001077665157 781458464 /nfs/dbraw/zinc/45/84/64/781458464.db2.gz GKOMSHWALYLKRV-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001077665157 781458471 /nfs/dbraw/zinc/45/84/71/781458471.db2.gz GKOMSHWALYLKRV-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708690 781558994 /nfs/dbraw/zinc/55/89/94/781558994.db2.gz TVTRIAZVGHAPGS-XMTFNYHQSA-N 1 3 331.460 0.902 20 0 ECADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708690 781558997 /nfs/dbraw/zinc/55/89/97/781558997.db2.gz TVTRIAZVGHAPGS-XMTFNYHQSA-N 1 3 331.460 0.902 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCC3(C2)CCN([C@H]2CCNC2=O)CC3)CC1 ZINC001040830932 783527371 /nfs/dbraw/zinc/52/73/71/783527371.db2.gz PSGYAENWOWFAQM-INIZCTEOSA-N 1 3 348.491 0.531 20 0 ECADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)C[C@@H]1n1ccnn1 ZINC001070204676 783652374 /nfs/dbraw/zinc/65/23/74/783652374.db2.gz LIAZFRDSSIULQV-PMPSAXMXSA-N 1 3 334.468 0.904 20 0 ECADHO CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1NCc1ncnn1C ZINC001037925180 783705927 /nfs/dbraw/zinc/70/59/27/783705927.db2.gz MWHUVCYSMASOOF-GOEBONIOSA-N 1 3 348.495 0.874 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001070268505 783770508 /nfs/dbraw/zinc/77/05/08/783770508.db2.gz JGUCLYITVVHASS-OWCLPIDISA-N 1 3 334.468 0.616 20 0 ECADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001070332392 783840341 /nfs/dbraw/zinc/84/03/41/783840341.db2.gz BIGSHEMDCBVABW-PMPSAXMXSA-N 1 3 334.468 0.904 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CCN(CCO)C2)CC[N@@H+]1C ZINC001070411141 784000167 /nfs/dbraw/zinc/00/01/67/784000167.db2.gz DZDKDCBXUTTXHY-CWRNSKLLSA-N 1 3 349.479 0.538 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CCN(CCO)C2)CC[N@H+]1C ZINC001070411141 784000177 /nfs/dbraw/zinc/00/01/77/784000177.db2.gz DZDKDCBXUTTXHY-CWRNSKLLSA-N 1 3 349.479 0.538 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC001070556658 784270798 /nfs/dbraw/zinc/27/07/98/784270798.db2.gz LEPHAVDILIIRMF-OWCLPIDISA-N 1 3 338.496 0.774 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001071054053 784490236 /nfs/dbraw/zinc/49/02/36/784490236.db2.gz WXSLYZSZGRJTGO-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001071054097 784490980 /nfs/dbraw/zinc/49/09/80/784490980.db2.gz YYDINDNOGPNCOR-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001071091702 784534639 /nfs/dbraw/zinc/53/46/39/784534639.db2.gz RFNSWUCQYJCMAS-MJEQTWJJSA-N 1 3 336.436 0.319 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001070865061 784766510 /nfs/dbraw/zinc/76/65/10/784766510.db2.gz FLLKTSFPDKDHFI-OAHLLOKOSA-N 1 3 342.484 0.012 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001074198057 786428654 /nfs/dbraw/zinc/42/86/54/786428654.db2.gz JHFXBVBAYYBSPI-HUUCEWRRSA-N 1 3 326.485 0.632 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(CCOC)CCCO1 ZINC001073627344 786803557 /nfs/dbraw/zinc/80/35/57/786803557.db2.gz OGQMJNMAIUTAFS-JKSUJKDBSA-N 1 3 327.469 0.714 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(CCOC)CCCO1 ZINC001073627344 786803570 /nfs/dbraw/zinc/80/35/70/786803570.db2.gz OGQMJNMAIUTAFS-JKSUJKDBSA-N 1 3 327.469 0.714 20 0 ECADHO COC[C@H](C)N1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677672 786948332 /nfs/dbraw/zinc/94/83/32/786948332.db2.gz OMCQTLKYYXAWHU-HOTGVXAUSA-N 1 3 339.480 0.857 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN(C[C@@H](C)O)CCCO2)CC1 ZINC001073841684 787327158 /nfs/dbraw/zinc/32/71/58/787327158.db2.gz QCZKHZIYMXBTOT-NVXWUHKLSA-N 1 3 341.496 0.695 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CN(CCO)CCCO2)CC1 ZINC001073841981 787329277 /nfs/dbraw/zinc/32/92/77/787329277.db2.gz YKLQFQSYBHCFEX-INIZCTEOSA-N 1 3 327.469 0.306 20 0 ECADHO COC[C@H](C)N1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861376 787385661 /nfs/dbraw/zinc/38/56/61/787385661.db2.gz CFHAVAPXRAFKOF-LSDHHAIUSA-N 1 3 325.453 0.324 20 0 ECADHO C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073899222 787474036 /nfs/dbraw/zinc/47/40/36/787474036.db2.gz NYOJTBQDAGOHIG-INIZCTEOSA-N 1 3 335.448 0.561 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001072624071 788455844 /nfs/dbraw/zinc/45/58/44/788455844.db2.gz IQLZQOYPZZBLFM-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCn1nncc1CN[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001074877925 788477106 /nfs/dbraw/zinc/47/71/06/788477106.db2.gz SAVPAXMYWOTNIX-DZKIICNBSA-N 1 3 334.468 0.861 20 0 ECADHO CCn1nncc1CN[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001074877925 788477110 /nfs/dbraw/zinc/47/71/10/788477110.db2.gz SAVPAXMYWOTNIX-DZKIICNBSA-N 1 3 334.468 0.861 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@H](NC(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001072740413 788682424 /nfs/dbraw/zinc/68/24/24/788682424.db2.gz YUXFIMWNYAMTQU-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001072740413 788682431 /nfs/dbraw/zinc/68/24/31/788682431.db2.gz YUXFIMWNYAMTQU-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001072742204 788690254 /nfs/dbraw/zinc/69/02/54/788690254.db2.gz NVTVXILSWKDFNB-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001072742204 788690260 /nfs/dbraw/zinc/69/02/60/788690260.db2.gz NVTVXILSWKDFNB-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCn2cccn2)C3)CC[N@@H+]1C ZINC001072752307 788719300 /nfs/dbraw/zinc/71/93/00/788719300.db2.gz DVWVWGWRDGHEGF-HZPDHXFCSA-N 1 3 331.464 0.758 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCn2cccn2)C3)CC[N@H+]1C ZINC001072752307 788719306 /nfs/dbraw/zinc/71/93/06/788719306.db2.gz DVWVWGWRDGHEGF-HZPDHXFCSA-N 1 3 331.464 0.758 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)CCCC[NH+](C)C ZINC001072799336 788823825 /nfs/dbraw/zinc/82/38/25/788823825.db2.gz VVFRZTUJINICFA-ZFWWWQNUSA-N 1 3 335.452 0.647 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CCN1C(=O)CN1CCCC1 ZINC001075108790 788916618 /nfs/dbraw/zinc/91/66/18/788916618.db2.gz MMZCZTLAVOPBJP-ZNMIVQPWSA-N 1 3 343.493 0.096 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001075169353 789016651 /nfs/dbraw/zinc/01/66/51/789016651.db2.gz ILJYMSINYGEGMU-QIIPPGSGSA-N 1 3 347.463 0.647 20 0 ECADHO CNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001072923235 789122241 /nfs/dbraw/zinc/12/22/41/789122241.db2.gz UUPMPEIGUOBSDP-CYBMUJFWSA-N 1 3 348.447 0.624 20 0 ECADHO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001072923235 789122247 /nfs/dbraw/zinc/12/22/47/789122247.db2.gz UUPMPEIGUOBSDP-CYBMUJFWSA-N 1 3 348.447 0.624 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN([C@H]1CCCN(C)C1=O)C2 ZINC001072982117 789213834 /nfs/dbraw/zinc/21/38/34/789213834.db2.gz ZVVBFKGNIWRYHL-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN([C@H]1CCCN(C)C1=O)C2 ZINC001072982117 789213840 /nfs/dbraw/zinc/21/38/40/789213840.db2.gz ZVVBFKGNIWRYHL-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001075335602 789229203 /nfs/dbraw/zinc/22/92/03/789229203.db2.gz PXMPSQWRSBOBGN-HIFRSBDPSA-N 1 3 330.436 0.960 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](C[C@H]1C[C@]13CCOC3)C2 ZINC001073016307 789278386 /nfs/dbraw/zinc/27/83/86/789278386.db2.gz SNQXOWFMLWOZER-KDOFPFPSSA-N 1 3 330.432 0.913 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](C[C@H]1C[C@]13CCOC3)C2 ZINC001073016307 789278395 /nfs/dbraw/zinc/27/83/95/789278395.db2.gz SNQXOWFMLWOZER-KDOFPFPSSA-N 1 3 330.432 0.913 20 0 ECADHO CC[C@H](C(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001073039285 789324274 /nfs/dbraw/zinc/32/42/74/789324274.db2.gz ZOGCELSYWKAPHM-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001073039285 789324281 /nfs/dbraw/zinc/32/42/81/789324281.db2.gz ZOGCELSYWKAPHM-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1noc(CCCN2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)n1 ZINC001073425537 789821017 /nfs/dbraw/zinc/82/10/17/789821017.db2.gz AEUFRVOZMJNCGF-OAHLLOKOSA-N 1 3 347.463 0.797 20 0 ECADHO Cc1noc(CCCN2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)n1 ZINC001073425537 789821024 /nfs/dbraw/zinc/82/10/24/789821024.db2.gz AEUFRVOZMJNCGF-OAHLLOKOSA-N 1 3 347.463 0.797 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001073426111 789825020 /nfs/dbraw/zinc/82/50/20/789825020.db2.gz QGZGSLHUAZMMCH-HNNXBMFYSA-N 1 3 334.464 0.095 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001073426111 789825023 /nfs/dbraw/zinc/82/50/23/789825023.db2.gz QGZGSLHUAZMMCH-HNNXBMFYSA-N 1 3 334.464 0.095 20 0 ECADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069929028 790201140 /nfs/dbraw/zinc/20/11/40/790201140.db2.gz QQYLSCYIEUBPAI-ZACQAIPSSA-N 1 3 344.463 0.371 20 0 ECADHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1ccc2c(c1)nnn2C ZINC001267459222 837447346 /nfs/dbraw/zinc/44/73/46/837447346.db2.gz OVHVUNUKQRLXKG-UHFFFAOYSA-N 1 3 332.452 0.858 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001266881571 836430152 /nfs/dbraw/zinc/43/01/52/836430152.db2.gz YENLDRFURIFDLB-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001267000930 836589685 /nfs/dbraw/zinc/58/96/85/836589685.db2.gz HBIITBMIRGQCCR-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCNC(=O)NC(C)(C)C)N(C)C ZINC001268085960 839287620 /nfs/dbraw/zinc/28/76/20/839287620.db2.gz KOMHZRNKBSJIOI-KBPBESRZSA-N 1 3 343.516 0.861 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418846365 290682208 /nfs/dbraw/zinc/68/22/08/290682208.db2.gz XUUZGZZQGYFVCY-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427308309 210191593 /nfs/dbraw/zinc/19/15/93/210191593.db2.gz LBCIIXGKTFFSOE-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)CN1CCN(C)CC1 ZINC000425676083 210076529 /nfs/dbraw/zinc/07/65/29/210076529.db2.gz HHVDDJKLSVWCHU-IXDOHACOSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)CN1CCN(C)CC1 ZINC000425676083 210076532 /nfs/dbraw/zinc/07/65/32/210076532.db2.gz HHVDDJKLSVWCHU-IXDOHACOSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H](c1ccccc1)N(C)C ZINC000418189270 299163962 /nfs/dbraw/zinc/16/39/62/299163962.db2.gz VGMIJYKSJQJVNQ-UAGQMJEPSA-N 1 3 333.480 0.881 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000423734796 209817452 /nfs/dbraw/zinc/81/74/52/209817452.db2.gz WKOODHKRPPVEOJ-JKQORVJESA-N 1 3 338.496 0.950 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000420121361 282949533 /nfs/dbraw/zinc/94/95/33/282949533.db2.gz LONJZOJNUIGPQU-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000355283565 299230501 /nfs/dbraw/zinc/23/05/01/299230501.db2.gz UJCZBXGUMNDMEK-AWEZNQCLSA-N 1 3 342.484 0.012 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355297422 299233343 /nfs/dbraw/zinc/23/33/43/299233343.db2.gz KPVPVWNFIMXKLP-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423415698 283231965 /nfs/dbraw/zinc/23/19/65/283231965.db2.gz PGCNSKPMZUGTCX-HUUCEWRRSA-N 1 3 326.485 0.763 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420431943 209365269 /nfs/dbraw/zinc/36/52/69/209365269.db2.gz GPHAIYNRZGXZPJ-BXUZGUMPSA-N 1 3 343.497 0.338 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000420412369 209362888 /nfs/dbraw/zinc/36/28/88/209362888.db2.gz CZWRVNTXWMOVSY-ZDUSSCGKSA-N 1 3 329.470 0.092 20 0 ECADHO CN1CCN(C(=O)CCN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000420314335 209353181 /nfs/dbraw/zinc/35/31/81/209353181.db2.gz KRIPYQQTXNMOED-MSOLQXFVSA-N 1 3 330.476 0.825 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420214764 209343331 /nfs/dbraw/zinc/34/33/31/209343331.db2.gz KDZIPYOUHRJRMH-QGZVFWFLSA-N 1 3 348.491 0.889 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420075719 209298473 /nfs/dbraw/zinc/29/84/73/209298473.db2.gz UAQYYBSDBPOAJX-FMKPAKJESA-N 1 3 338.496 0.999 20 0 ECADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420028870 209281344 /nfs/dbraw/zinc/28/13/44/209281344.db2.gz HMMKBJJYANGSJI-INIZCTEOSA-N 1 3 338.496 0.810 20 0 ECADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420028870 209281347 /nfs/dbraw/zinc/28/13/47/209281347.db2.gz HMMKBJJYANGSJI-INIZCTEOSA-N 1 3 338.496 0.810 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)CC(C)C)[C@@H](C)C1 ZINC000419965662 209263971 /nfs/dbraw/zinc/26/39/71/209263971.db2.gz XGQNJEPGOKEMTJ-KKUMJFAQSA-N 1 3 326.485 0.665 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)CC(C)C)[C@@H](C)C1 ZINC000419965662 209263974 /nfs/dbraw/zinc/26/39/74/209263974.db2.gz XGQNJEPGOKEMTJ-KKUMJFAQSA-N 1 3 326.485 0.665 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419906910 209246007 /nfs/dbraw/zinc/24/60/07/209246007.db2.gz AWPVDGSGQCJJPZ-IXDOHACOSA-N 1 3 344.459 0.888 20 0 ECADHO N[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000419907306 209245484 /nfs/dbraw/zinc/24/54/84/209245484.db2.gz BTGIGVZPWSITQX-IAGOWNOFSA-N 1 3 344.459 0.889 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000419835951 209218087 /nfs/dbraw/zinc/21/80/87/209218087.db2.gz VLGSXXVUJVVJSB-OWCLPIDISA-N 1 3 330.432 0.546 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000419835951 209218089 /nfs/dbraw/zinc/21/80/89/209218089.db2.gz VLGSXXVUJVVJSB-OWCLPIDISA-N 1 3 330.432 0.546 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)CNC2)C[NH+]1CCCC1 ZINC000419815217 209212237 /nfs/dbraw/zinc/21/22/37/209212237.db2.gz HQLHYBHWPXCSEM-CQSZACIVSA-N 1 3 344.459 0.754 20 0 ECADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000419764430 209200105 /nfs/dbraw/zinc/20/01/05/209200105.db2.gz PIBFLWRGDMSONZ-SJORKVTESA-N 1 3 344.459 0.491 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419762853 209199824 /nfs/dbraw/zinc/19/98/24/209199824.db2.gz MMMMCNXKCRLYOH-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262466482 244989875 /nfs/dbraw/zinc/98/98/75/244989875.db2.gz GHIRCTDGNRCESP-QZTJIDSGSA-N 1 3 346.475 0.428 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000262887633 245233987 /nfs/dbraw/zinc/23/39/87/245233987.db2.gz OESINJUCFYLAPA-SFHVURJKSA-N 1 3 348.491 0.804 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000419701325 209177641 /nfs/dbraw/zinc/17/76/41/209177641.db2.gz TXEKMADMUHLSGJ-ARFHVFGLSA-N 1 3 338.496 0.857 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000419694758 209174163 /nfs/dbraw/zinc/17/41/63/209174163.db2.gz LITANXYGBYTXEO-NVXWUHKLSA-N 1 3 344.459 0.936 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000419694758 209174166 /nfs/dbraw/zinc/17/41/66/209174166.db2.gz LITANXYGBYTXEO-NVXWUHKLSA-N 1 3 344.459 0.936 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCC[NH2+]C1 ZINC000419694272 209173743 /nfs/dbraw/zinc/17/37/43/209173743.db2.gz KDYOBGXDMOQCPI-RDTXWAMCSA-N 1 3 336.480 0.625 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000419653567 209158934 /nfs/dbraw/zinc/15/89/34/209158934.db2.gz YPCYZPYYULBKMV-QGZVFWFLSA-N 1 3 346.475 0.998 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000419625859 209149511 /nfs/dbraw/zinc/14/95/11/209149511.db2.gz BOGCYQAERCMFJB-LJQANCHMSA-N 1 3 346.475 0.870 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C1=CCN(C)CC1 ZINC000419632886 209151056 /nfs/dbraw/zinc/15/10/56/209151056.db2.gz YDMYUKLEVUDXAX-UKRRQHHQSA-N 1 3 336.480 0.647 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000419507713 209111749 /nfs/dbraw/zinc/11/17/49/209111749.db2.gz PMKJZQMGDFDWAD-RDJZCZTQSA-N 1 3 344.459 0.478 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000419507713 209111750 /nfs/dbraw/zinc/11/17/50/209111750.db2.gz PMKJZQMGDFDWAD-RDJZCZTQSA-N 1 3 344.459 0.478 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111869114 220213646 /nfs/dbraw/zinc/21/36/46/220213646.db2.gz UBJSLNIGNHSISU-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418592259 284572372 /nfs/dbraw/zinc/57/23/72/284572372.db2.gz VBXCIRWIKWYMGR-CABCVRRESA-N 1 3 339.484 0.452 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423271603 284616690 /nfs/dbraw/zinc/61/66/90/284616690.db2.gz YAMGMJDWQJUQOV-KRWDZBQOSA-N 1 3 342.484 0.001 20 0 ECADHO CCN1CCN(CCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446378509 211142263 /nfs/dbraw/zinc/14/22/63/211142263.db2.gz USOREBSWZCREOM-RVKKMQEKSA-N 1 3 338.496 0.273 20 0 ECADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)CN1CCN(C)CC1 ZINC000445847937 211123491 /nfs/dbraw/zinc/12/34/91/211123491.db2.gz UKGDHTDWGHVDSB-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000411020586 208054920 /nfs/dbraw/zinc/05/49/20/208054920.db2.gz GOLLGMRDMBOFCH-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO COc1cc(CNC(=O)COC2CNC2)ccc1OCC[NH+](C)C ZINC000430714263 210399251 /nfs/dbraw/zinc/39/92/51/210399251.db2.gz KQLRQCFWISYORP-UHFFFAOYSA-N 1 3 337.420 0.240 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CNCCO2)[C@@H](C)C1 ZINC000430708830 210396858 /nfs/dbraw/zinc/39/68/58/210396858.db2.gz VBOQWPNLMRLHHC-JYJNAYRXSA-N 1 3 327.469 0.618 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CNCCO2)[C@@H](C)C1 ZINC000430708830 210396862 /nfs/dbraw/zinc/39/68/62/210396862.db2.gz VBOQWPNLMRLHHC-JYJNAYRXSA-N 1 3 327.469 0.618 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000430644888 210394759 /nfs/dbraw/zinc/39/47/59/210394759.db2.gz ANUUHJPJKJSCSY-NVXWUHKLSA-N 1 3 344.459 0.969 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@](C)(C[NH3+])C(C)C)C1 ZINC000430560630 210381604 /nfs/dbraw/zinc/38/16/04/210381604.db2.gz WWXDJTYINAUZNB-NVXWUHKLSA-N 1 3 328.501 0.422 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@](C)(CN)C(C)C)C1 ZINC000430560630 210381607 /nfs/dbraw/zinc/38/16/07/210381607.db2.gz WWXDJTYINAUZNB-NVXWUHKLSA-N 1 3 328.501 0.422 20 0 ECADHO COC[C@@]1(CNC(=O)NC[C@@]2(N(C)C)CCSC2)CCC[NH2+]1 ZINC000417808632 208756477 /nfs/dbraw/zinc/75/64/77/208756477.db2.gz AEFUYGOKFYYWKF-GJZGRUSLSA-N 1 3 330.498 0.492 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1NC(=O)O[C@H]1C ZINC000496194385 255080215 /nfs/dbraw/zinc/08/02/15/255080215.db2.gz OQITVEJUFZVNJM-MJBXVCDLSA-N 1 3 326.441 0.358 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1NC(=O)O[C@H]1C ZINC000496194385 255080217 /nfs/dbraw/zinc/08/02/17/255080217.db2.gz OQITVEJUFZVNJM-MJBXVCDLSA-N 1 3 326.441 0.358 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([NH2+]C)CC2)CC1=O ZINC000246899320 285254342 /nfs/dbraw/zinc/25/43/42/285254342.db2.gz JRCYOMFNFXBNKU-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000449740694 285255343 /nfs/dbraw/zinc/25/53/43/285255343.db2.gz HESJWHANEKNGAL-FPCVCCKLSA-N 1 3 334.464 0.140 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420177576 285269402 /nfs/dbraw/zinc/26/94/02/285269402.db2.gz SJEBQVAZJXKOFR-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419373081 209072246 /nfs/dbraw/zinc/07/22/46/209072246.db2.gz MGZXGRZRLRVCNR-UHFFFAOYSA-N 1 3 346.475 0.318 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccnc1-n1cncn1 ZINC000131756041 296668797 /nfs/dbraw/zinc/66/87/97/296668797.db2.gz DOUOIRPMSBOPHV-UHFFFAOYSA-N 1 3 346.439 0.619 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423158362 296775507 /nfs/dbraw/zinc/77/55/07/296775507.db2.gz WNOLNRCCJYGLKN-IIDMSEBBSA-N 1 3 336.480 0.517 20 0 ECADHO Cc1ccc2nc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cc(=O)n2c1 ZINC000261610752 165215161 /nfs/dbraw/zinc/21/51/61/165215161.db2.gz DOTJGPJMAJYSKS-CQSZACIVSA-N 1 3 343.431 0.290 20 0 ECADHO O=S(=O)([C@@H]1CCCN(CC2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000261778048 165242235 /nfs/dbraw/zinc/24/22/35/165242235.db2.gz FEQCYMHHVKQSEM-OAHLLOKOSA-N 1 3 331.482 0.112 20 0 ECADHO CC(C)N1CCC[C@H](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000262375984 165339868 /nfs/dbraw/zinc/33/98/68/165339868.db2.gz MIMOTLQUOLQJST-CQSZACIVSA-N 1 3 345.509 0.390 20 0 ECADHO C[C@H](C[NH3+])C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262476449 165353256 /nfs/dbraw/zinc/35/32/56/165353256.db2.gz YXAVQARFVNTOMS-CQSZACIVSA-N 1 3 332.448 0.723 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000262609465 165367909 /nfs/dbraw/zinc/36/79/09/165367909.db2.gz CIJDXGDRJIVXQQ-VVLHAWIVSA-N 1 3 348.491 0.672 20 0 ECADHO COCCNCC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000262648042 165372058 /nfs/dbraw/zinc/37/20/58/165372058.db2.gz PMGISSSFELZJOI-UHFFFAOYSA-N 1 3 335.448 0.496 20 0 ECADHO COC(=O)C1CC[NH+](CCCNC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000262789028 165388673 /nfs/dbraw/zinc/38/86/73/165388673.db2.gz NLPVNNUDJDAEMU-UHFFFAOYSA-N 1 3 349.435 0.060 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C2([NH3+])CCCC2)c1 ZINC000263262383 165430549 /nfs/dbraw/zinc/43/05/49/165430549.db2.gz MSHTVOXCFAVONT-UHFFFAOYSA-N 1 3 332.448 0.866 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401171 209082505 /nfs/dbraw/zinc/08/25/05/209082505.db2.gz OKSPRBLMXIRDKB-IIAWOOMASA-N 1 3 332.448 0.477 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401171 209082507 /nfs/dbraw/zinc/08/25/07/209082507.db2.gz OKSPRBLMXIRDKB-IIAWOOMASA-N 1 3 332.448 0.477 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401170 209082187 /nfs/dbraw/zinc/08/21/87/209082187.db2.gz OKSPRBLMXIRDKB-FMKPAKJESA-N 1 3 332.448 0.477 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401170 209082192 /nfs/dbraw/zinc/08/21/92/209082192.db2.gz OKSPRBLMXIRDKB-FMKPAKJESA-N 1 3 332.448 0.477 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419410052 209085528 /nfs/dbraw/zinc/08/55/28/209085528.db2.gz AFBKKBHEFUGXSO-UHFFFAOYSA-N 1 3 346.475 0.667 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCCC[NH2+]Cc2cccnc2)CC1=O ZINC000237160480 263173078 /nfs/dbraw/zinc/17/30/78/263173078.db2.gz VYICJHGZFYRZJS-INIZCTEOSA-N 1 3 347.463 0.088 20 0 ECADHO C[C@H](CNC(=O)c1ccoc1CC(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000270842155 263278747 /nfs/dbraw/zinc/27/87/47/263278747.db2.gz WOLYVHGRSSKNOX-CHWSQXEVSA-N 1 3 338.452 0.568 20 0 ECADHO C[C@H](CNC(=O)Cc1occc1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000270842155 263278748 /nfs/dbraw/zinc/27/87/48/263278748.db2.gz WOLYVHGRSSKNOX-CHWSQXEVSA-N 1 3 338.452 0.568 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415770889 273797224 /nfs/dbraw/zinc/79/72/24/273797224.db2.gz ZEGGGVCKYFZIDB-CVEARBPZSA-N 1 3 344.459 0.797 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419369117 275981645 /nfs/dbraw/zinc/98/16/45/275981645.db2.gz HBZXDKOPJDDWHK-BZUAXINKSA-N 1 3 338.496 0.665 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C)C[NH3+])CC1 ZINC000416983979 276196826 /nfs/dbraw/zinc/19/68/26/276196826.db2.gz GPJMRLFKZYRKJQ-OAHLLOKOSA-N 1 3 333.480 0.971 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419960436 276306345 /nfs/dbraw/zinc/30/63/45/276306345.db2.gz DZGKRVNUDQGBQJ-HOCLYGCPSA-N 1 3 338.496 0.810 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419960436 276306346 /nfs/dbraw/zinc/30/63/46/276306346.db2.gz DZGKRVNUDQGBQJ-HOCLYGCPSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000340200338 437595199 /nfs/dbraw/zinc/59/51/99/437595199.db2.gz ANRAGTGGIJRJAW-GOEBONIOSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000419112121 277383117 /nfs/dbraw/zinc/38/31/17/277383117.db2.gz FHHFBYUGDQQZSS-GOEBONIOSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419032484 278188895 /nfs/dbraw/zinc/18/88/95/278188895.db2.gz WTLWVFUFFMGFOJ-BZUAXINKSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419693059 278230965 /nfs/dbraw/zinc/23/09/65/278230965.db2.gz HZGBYBKFXANYNM-KKUMJFAQSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000418877154 278231297 /nfs/dbraw/zinc/23/12/97/278231297.db2.gz NWCZSJHMOLPAHS-BHYGNILZSA-N 1 3 346.475 0.471 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)[N@H+](C)C1CC1 ZINC000414880623 278269024 /nfs/dbraw/zinc/26/90/24/278269024.db2.gz QSKPDQWALPTZRO-LBPRGKRZSA-N 1 3 346.431 0.706 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)[N@@H+](C)C1CC1 ZINC000414880623 278269026 /nfs/dbraw/zinc/26/90/26/278269026.db2.gz QSKPDQWALPTZRO-LBPRGKRZSA-N 1 3 346.431 0.706 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000420118841 278318794 /nfs/dbraw/zinc/31/87/94/278318794.db2.gz INHIXKRDQPICNX-CZUORRHYSA-N 1 3 332.448 0.875 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419960435 279034152 /nfs/dbraw/zinc/03/41/52/279034152.db2.gz DZGKRVNUDQGBQJ-GOEBONIOSA-N 1 3 338.496 0.810 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419960435 279034154 /nfs/dbraw/zinc/03/41/54/279034154.db2.gz DZGKRVNUDQGBQJ-GOEBONIOSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419023936 279135735 /nfs/dbraw/zinc/13/57/35/279135735.db2.gz KLQFKNPCAIYHBL-SOUVJXGZSA-N 1 3 326.485 0.713 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000130146873 279358490 /nfs/dbraw/zinc/35/84/90/279358490.db2.gz RWMFJUWKPOBOGW-IRXDYDNUSA-N 1 3 339.528 0.853 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C[C@H]1[NH+](C)C ZINC000343639031 437611205 /nfs/dbraw/zinc/61/12/05/437611205.db2.gz LCEYNMCOENOQPE-IIAWOOMASA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000332129143 297005671 /nfs/dbraw/zinc/00/56/71/297005671.db2.gz HTVMACQDTWEFRK-RVKKMQEKSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CC[NH+]1CCC(NC(=O)N2CCNC[C@@](C)(F)C2)CC1 ZINC000332294634 297027542 /nfs/dbraw/zinc/02/75/42/297027542.db2.gz HWWYIFFAZWYVPI-MRXNPFEDSA-N 1 3 329.464 0.355 20 0 ECADHO CN(C)CC[NH+]1CCC(NC(=O)N2CCNC[C@](C)(F)C2)CC1 ZINC000332294632 297027797 /nfs/dbraw/zinc/02/77/97/297027797.db2.gz HWWYIFFAZWYVPI-INIZCTEOSA-N 1 3 329.464 0.355 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)C(C)C ZINC000343660509 437618128 /nfs/dbraw/zinc/61/81/28/437618128.db2.gz CBNLMTDJKMMDAT-HNNXBMFYSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)C(C)C ZINC000343660509 437618132 /nfs/dbraw/zinc/61/81/32/437618132.db2.gz CBNLMTDJKMMDAT-HNNXBMFYSA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)CC1 ZINC000332667550 297063932 /nfs/dbraw/zinc/06/39/32/297063932.db2.gz YPEVPLZEMAZILQ-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000424340245 295300753 /nfs/dbraw/zinc/30/07/53/295300753.db2.gz XNUSMCZRSQWQHE-VXGBXAGGSA-N 1 3 334.376 0.923 20 0 ECADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000333250322 297120949 /nfs/dbraw/zinc/12/09/49/297120949.db2.gz CKQQMYHEVTYDGY-UKRRQHHQSA-N 1 3 347.467 0.736 20 0 ECADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000333250322 297120951 /nfs/dbraw/zinc/12/09/51/297120951.db2.gz CKQQMYHEVTYDGY-UKRRQHHQSA-N 1 3 347.467 0.736 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000339580191 297361528 /nfs/dbraw/zinc/36/15/28/297361528.db2.gz HMOUCRWQVKIMBM-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000339580191 297361529 /nfs/dbraw/zinc/36/15/29/297361529.db2.gz HMOUCRWQVKIMBM-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)N(C)C1CC1 ZINC000339735327 297375485 /nfs/dbraw/zinc/37/54/85/297375485.db2.gz WBGLGGHERULTDX-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000339738277 297375736 /nfs/dbraw/zinc/37/57/36/297375736.db2.gz SUJCEUNRNDYDDN-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000340199811 297451510 /nfs/dbraw/zinc/45/15/10/297451510.db2.gz ADYRNYHMFLIOTI-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000343440751 297878427 /nfs/dbraw/zinc/87/84/27/297878427.db2.gz QSHCGMUPTSEYNC-ILXRZTDVSA-N 1 3 337.395 0.668 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000420007394 298417546 /nfs/dbraw/zinc/41/75/46/298417546.db2.gz SLMOFEXOBJLKKO-OAHLLOKOSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000419118321 298578347 /nfs/dbraw/zinc/57/83/47/298578347.db2.gz IKNBJSJXDNAOGC-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000351553528 298784796 /nfs/dbraw/zinc/78/47/96/298784796.db2.gz FFJJDUVFBSDEEB-CVEARBPZSA-N 1 3 332.448 0.144 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000352015783 298870514 /nfs/dbraw/zinc/87/05/14/298870514.db2.gz SBNCZYZXQZPGDR-DOTOQJQBSA-N 1 3 334.464 0.375 20 0 ECADHO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000362264300 300177100 /nfs/dbraw/zinc/17/71/00/300177100.db2.gz YUXPKMOKWPFTBF-MRXNPFEDSA-N 1 3 346.541 0.275 20 0 ECADHO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000362264300 300177102 /nfs/dbraw/zinc/17/71/02/300177102.db2.gz YUXPKMOKWPFTBF-MRXNPFEDSA-N 1 3 346.541 0.275 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000362264300 300177104 /nfs/dbraw/zinc/17/71/04/300177104.db2.gz YUXPKMOKWPFTBF-MRXNPFEDSA-N 1 3 346.541 0.275 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@H]21 ZINC000363476324 300268375 /nfs/dbraw/zinc/26/83/75/300268375.db2.gz IPXGKLZOVRFIQM-QBPKDAKJSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@H]21 ZINC000363476324 300268377 /nfs/dbraw/zinc/26/83/77/300268377.db2.gz IPXGKLZOVRFIQM-QBPKDAKJSA-N 1 3 336.480 0.975 20 0 ECADHO COCCC[N@@H+]1CCCN(C(=O)NCCN(C)CCOC)CC1 ZINC000363558865 300275794 /nfs/dbraw/zinc/27/57/94/300275794.db2.gz VVOOUQBYJYGZKK-UHFFFAOYSA-N 1 3 330.473 0.318 20 0 ECADHO COCCC[N@H+]1CCCN(C(=O)NCCN(C)CCOC)CC1 ZINC000363558865 300275796 /nfs/dbraw/zinc/27/57/96/300275796.db2.gz VVOOUQBYJYGZKK-UHFFFAOYSA-N 1 3 330.473 0.318 20 0 ECADHO COCC[N@H+](C)CCNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000364267066 300341274 /nfs/dbraw/zinc/34/12/74/300341274.db2.gz YCOQQORLFZFHCK-UHFFFAOYSA-N 1 3 334.464 0.988 20 0 ECADHO COCC[N@@H+](C)CCNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000364267066 300341275 /nfs/dbraw/zinc/34/12/75/300341275.db2.gz YCOQQORLFZFHCK-UHFFFAOYSA-N 1 3 334.464 0.988 20 0 ECADHO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@@H]1C[C@H](O)CN1 ZINC000364867259 300395678 /nfs/dbraw/zinc/39/56/78/300395678.db2.gz DJPDGUMXXZOHBO-ZFWWWQNUSA-N 1 3 333.388 0.257 20 0 ECADHO CN(C)CCOc1ccc(C[NH2+]CCCN(C)S(C)(=O)=O)cc1 ZINC000069679511 435956798 /nfs/dbraw/zinc/95/67/98/435956798.db2.gz SKEQORXLAXBEES-UHFFFAOYSA-N 1 3 343.493 0.998 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1=O ZINC000073474267 436077742 /nfs/dbraw/zinc/07/77/42/436077742.db2.gz ZERKKOZZJMLZKK-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[NH+](CC)CC)CC1 ZINC000073416802 436079575 /nfs/dbraw/zinc/07/95/75/436079575.db2.gz GYAKSSOPEKWNDU-MRXNPFEDSA-N 1 3 327.517 0.901 20 0 ECADHO CC[NH+](CC)CCOC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000075007503 436147074 /nfs/dbraw/zinc/14/70/74/436147074.db2.gz QHOXVANJMVJQJW-UHFFFAOYSA-N 1 3 326.441 0.361 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000074160777 436111265 /nfs/dbraw/zinc/11/12/65/436111265.db2.gz GEMZAGSMHUEPSB-HOTGVXAUSA-N 1 3 325.501 0.511 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000074160777 436111266 /nfs/dbraw/zinc/11/12/66/436111266.db2.gz GEMZAGSMHUEPSB-HOTGVXAUSA-N 1 3 325.501 0.511 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000373122477 301048966 /nfs/dbraw/zinc/04/89/66/301048966.db2.gz LCNRZQUNKFHNEO-LTIDMASMSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000373122477 301048968 /nfs/dbraw/zinc/04/89/68/301048968.db2.gz LCNRZQUNKFHNEO-LTIDMASMSA-N 1 3 336.480 0.975 20 0 ECADHO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000375312486 301166125 /nfs/dbraw/zinc/16/61/25/301166125.db2.gz DHGUFIDNHRHBKF-JKSUJKDBSA-N 1 3 336.480 0.386 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(C)CCC(=O)NC3)CC2)CC1 ZINC000375607766 301190838 /nfs/dbraw/zinc/19/08/38/301190838.db2.gz OBIUAORSUSJFDT-SFHVURJKSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1cc(C)c(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)[nH]1 ZINC000077757119 436251562 /nfs/dbraw/zinc/25/15/62/436251562.db2.gz IRLLEVXFABIYOT-UHFFFAOYSA-N 1 3 337.468 0.627 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000519608909 301749114 /nfs/dbraw/zinc/74/91/14/301749114.db2.gz PJHYYKSKVYCRLE-CZUORRHYSA-N 1 3 332.448 0.528 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)C1(C(=O)NC[C@H]2CCC[N@@H+]2C)CCC1 ZINC000531634768 302060615 /nfs/dbraw/zinc/06/06/15/302060615.db2.gz NCPHIWQILVXZIV-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)C1(C(=O)NC[C@H]2CCC[N@H+]2C)CCC1 ZINC000531634768 302060617 /nfs/dbraw/zinc/06/06/17/302060617.db2.gz NCPHIWQILVXZIV-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000535014627 302116304 /nfs/dbraw/zinc/11/63/04/302116304.db2.gz OSYVJIACTHEDHD-WMLDXEAASA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC000548813328 302328414 /nfs/dbraw/zinc/32/84/14/302328414.db2.gz LVSBVNPRESJYCW-OAGGEKHMSA-N 1 3 340.512 0.879 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000550654200 302347930 /nfs/dbraw/zinc/34/79/30/302347930.db2.gz MQLWCJYJESSFQG-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C)N(C)C ZINC000152095399 436719514 /nfs/dbraw/zinc/71/95/14/436719514.db2.gz JGKMIXGJORFNND-ILXRZTDVSA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1)N(C)C ZINC000152095399 436719518 /nfs/dbraw/zinc/71/95/18/436719518.db2.gz JGKMIXGJORFNND-ILXRZTDVSA-N 1 3 326.485 0.726 20 0 ECADHO NC(=O)CC1CCN(C/C=C/C[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000124908500 436759256 /nfs/dbraw/zinc/75/92/56/436759256.db2.gz GOHIGOOVIJIOEG-OWOJBTEDSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000246444966 436779658 /nfs/dbraw/zinc/77/96/58/436779658.db2.gz OWCSUBDSSUTAPR-FPCVCCKLSA-N 1 3 347.525 0.793 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)N[C@@H](C)C2)CC1=O ZINC000247300000 436792281 /nfs/dbraw/zinc/79/22/81/436792281.db2.gz OXJSOUBTIASDMG-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)N[C@@H](C)C2)CC1=O ZINC000247300000 436792282 /nfs/dbraw/zinc/79/22/82/436792282.db2.gz OXJSOUBTIASDMG-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CCN(CCCNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262330217 436924463 /nfs/dbraw/zinc/92/44/63/436924463.db2.gz FHBPMXLLZMTBFA-UHFFFAOYSA-N 1 3 325.482 0.402 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262411817 436933063 /nfs/dbraw/zinc/93/30/63/436933063.db2.gz ABSGEHTWFBXGTP-HUUCEWRRSA-N 1 3 335.452 0.648 20 0 ECADHO C[C@H]1CN(CC2CC[NH+](CCCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000170779970 436953479 /nfs/dbraw/zinc/95/34/79/436953479.db2.gz XYDSIOGHGGOXRE-KBPBESRZSA-N 1 3 340.468 0.783 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175807783 437117476 /nfs/dbraw/zinc/11/74/76/437117476.db2.gz WCVRDTRIPLKDJG-MRXNPFEDSA-N 1 3 325.501 0.796 20 0 ECADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000419678044 303468892 /nfs/dbraw/zinc/46/88/92/303468892.db2.gz OFQDJBKQIWBTBY-OAHLLOKOSA-N 1 3 336.480 0.709 20 0 ECADHO CCNC(=O)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374901 437179703 /nfs/dbraw/zinc/17/97/03/437179703.db2.gz WTJWTQCTEKMVTG-CYBMUJFWSA-N 1 3 327.473 0.178 20 0 ECADHO CC(C)N1CCC[C@@H](N2CCC(C(=O)NCC[NH+](C)C)CC2)C1=O ZINC000177699066 437196583 /nfs/dbraw/zinc/19/65/83/437196583.db2.gz BFZIXWAOBRBSOT-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000333631674 437279897 /nfs/dbraw/zinc/27/98/97/437279897.db2.gz VVRVADPELKKRBO-HYVNUMGLSA-N 1 3 348.495 0.977 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1(C)C ZINC000333731659 437283086 /nfs/dbraw/zinc/28/30/86/437283086.db2.gz HXKOBMDOQWPBEC-OWCLPIDISA-N 1 3 337.512 0.700 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CCC(C)CC1 ZINC000333753049 437285138 /nfs/dbraw/zinc/28/51/38/437285138.db2.gz KFHKKSFXBMLVHS-IRXDYDNUSA-N 1 3 337.512 0.796 20 0 ECADHO CCN(CC)CC(=O)N1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC000337394560 437357622 /nfs/dbraw/zinc/35/76/22/437357622.db2.gz IOJCLMFEYJMJDB-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO CCCC(=O)NCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000337576097 437366648 /nfs/dbraw/zinc/36/66/48/437366648.db2.gz IRTAJOJZCKMJAC-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CCCC(=O)NCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000337576097 437366655 /nfs/dbraw/zinc/36/66/55/437366655.db2.gz IRTAJOJZCKMJAC-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338291474 437400559 /nfs/dbraw/zinc/40/05/59/437400559.db2.gz XICKWCNBLROTBD-OAHLLOKOSA-N 1 3 346.541 0.226 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338291474 437400564 /nfs/dbraw/zinc/40/05/64/437400564.db2.gz XICKWCNBLROTBD-OAHLLOKOSA-N 1 3 346.541 0.226 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339637737 437481383 /nfs/dbraw/zinc/48/13/83/437481383.db2.gz SYNWOHPKUYNDKD-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339637737 437481387 /nfs/dbraw/zinc/48/13/87/437481387.db2.gz SYNWOHPKUYNDKD-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCN1C ZINC000339651400 437484568 /nfs/dbraw/zinc/48/45/68/437484568.db2.gz NLYIVRJZNIUQKJ-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nncn2C1 ZINC000339655622 437485024 /nfs/dbraw/zinc/48/50/24/437485024.db2.gz RLFSTLKVOONBPU-HOTGVXAUSA-N 1 3 348.495 0.715 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nncn2C1 ZINC000339655622 437485028 /nfs/dbraw/zinc/48/50/28/437485028.db2.gz RLFSTLKVOONBPU-HOTGVXAUSA-N 1 3 348.495 0.715 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H](C)CC(=O)N1 ZINC000339656001 437485104 /nfs/dbraw/zinc/48/51/04/437485104.db2.gz ZBCJZNIFOBQPIU-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H](C)CC(=O)N1 ZINC000339656001 437485110 /nfs/dbraw/zinc/48/51/10/437485110.db2.gz ZBCJZNIFOBQPIU-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000339668197 437487759 /nfs/dbraw/zinc/48/77/59/437487759.db2.gz DYPLEKMZLVLJEB-ZBFHGGJFSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000339668197 437487764 /nfs/dbraw/zinc/48/77/64/437487764.db2.gz DYPLEKMZLVLJEB-ZBFHGGJFSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339963128 437529947 /nfs/dbraw/zinc/52/99/47/437529947.db2.gz DQSWSBUBHNVGOF-UHFFFAOYSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000360219913 437559758 /nfs/dbraw/zinc/55/97/58/437559758.db2.gz XATRZKYTLPCJMG-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000360219913 437559762 /nfs/dbraw/zinc/55/97/62/437559762.db2.gz XATRZKYTLPCJMG-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO Cn1c(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cc(=O)n(C)c1=O ZINC000362106209 437718159 /nfs/dbraw/zinc/71/81/59/437718159.db2.gz NFXBMPCWAUALKC-AWEZNQCLSA-N 1 3 346.475 0.780 20 0 ECADHO Cn1c(CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cc(=O)n(C)c1=O ZINC000362106209 437718163 /nfs/dbraw/zinc/71/81/63/437718163.db2.gz NFXBMPCWAUALKC-AWEZNQCLSA-N 1 3 346.475 0.780 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)N1CCN(C)CC1 ZINC000340952758 437763077 /nfs/dbraw/zinc/76/30/77/437763077.db2.gz BNMNADFQAZJSCD-QZTJIDSGSA-N 1 3 349.523 0.914 20 0 ECADHO C[C@@H]1C[C@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@@H+]1C ZINC000356480487 437770063 /nfs/dbraw/zinc/77/00/63/437770063.db2.gz ZWOUVYVGIKTQMP-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1C[C@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@H+]1C ZINC000356480487 437770069 /nfs/dbraw/zinc/77/00/69/437770069.db2.gz ZWOUVYVGIKTQMP-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCCC2)CC1=O ZINC000356493548 437772377 /nfs/dbraw/zinc/77/23/77/437772377.db2.gz XZZDTCKWIQSOHC-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCCC2)CC1=O ZINC000356493548 437772383 /nfs/dbraw/zinc/77/23/83/437772383.db2.gz XZZDTCKWIQSOHC-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)C[NH+]1CCCC1 ZINC000340801830 437738470 /nfs/dbraw/zinc/73/84/70/437738470.db2.gz RRYUHBIKVZMZRV-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415547137 437818236 /nfs/dbraw/zinc/81/82/36/437818236.db2.gz YUACQYBFMMMJAP-KBPBESRZSA-N 1 3 348.447 0.761 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1COCCO1 ZINC000341025726 437776808 /nfs/dbraw/zinc/77/68/08/437776808.db2.gz VDHQLRPXPURMHO-CVEARBPZSA-N 1 3 342.484 0.459 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1COCCO1 ZINC000341025726 437776812 /nfs/dbraw/zinc/77/68/12/437776812.db2.gz VDHQLRPXPURMHO-CVEARBPZSA-N 1 3 342.484 0.459 20 0 ECADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423618086 437780586 /nfs/dbraw/zinc/78/05/86/437780586.db2.gz HDGCQFLSWABUKE-CVEARBPZSA-N 1 3 336.480 0.517 20 0 ECADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423618086 437780592 /nfs/dbraw/zinc/78/05/92/437780592.db2.gz HDGCQFLSWABUKE-CVEARBPZSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000370461134 437786148 /nfs/dbraw/zinc/78/61/48/437786148.db2.gz CXCSVSKIHGXWCU-BPQIPLTHSA-N 1 3 349.523 0.891 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000370461134 437786155 /nfs/dbraw/zinc/78/61/55/437786155.db2.gz CXCSVSKIHGXWCU-BPQIPLTHSA-N 1 3 349.523 0.891 20 0 ECADHO CCCN(C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423670067 437797166 /nfs/dbraw/zinc/79/71/66/437797166.db2.gz YWYZSCVPKRHNNJ-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000423675959 437798731 /nfs/dbraw/zinc/79/87/31/437798731.db2.gz FTJWZXQKBWCCJG-UHFFFAOYSA-N 1 3 346.475 0.774 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCN1C ZINC000341161320 437805952 /nfs/dbraw/zinc/80/59/52/437805952.db2.gz PDEQJOVVHHMWMQ-QLFBSQMISA-N 1 3 339.484 0.356 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCN1C ZINC000341161320 437805957 /nfs/dbraw/zinc/80/59/57/437805957.db2.gz PDEQJOVVHHMWMQ-QLFBSQMISA-N 1 3 339.484 0.356 20 0 ECADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N(C)C1CC1 ZINC000341172667 437807566 /nfs/dbraw/zinc/80/75/66/437807566.db2.gz UXAPQOSIWPDVHS-ZIAGYGMSSA-N 1 3 339.484 0.356 20 0 ECADHO C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N(C)C1CC1 ZINC000341172667 437807571 /nfs/dbraw/zinc/80/75/71/437807571.db2.gz UXAPQOSIWPDVHS-ZIAGYGMSSA-N 1 3 339.484 0.356 20 0 ECADHO C[C@H]1OCCN[C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424019510 437878048 /nfs/dbraw/zinc/87/80/48/437878048.db2.gz MCEQVULNQPPAPX-WBVHZDCISA-N 1 3 346.475 0.473 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccn[nH]2)[C@H](C)C1 ZINC000356786201 437834689 /nfs/dbraw/zinc/83/46/89/437834689.db2.gz OBXURMBZCSGADC-HUUCEWRRSA-N 1 3 337.468 0.866 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCNC(=O)c2ccn[nH]2)[C@H](C)C1 ZINC000356786201 437834693 /nfs/dbraw/zinc/83/46/93/437834693.db2.gz OBXURMBZCSGADC-HUUCEWRRSA-N 1 3 337.468 0.866 20 0 ECADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423839041 437840943 /nfs/dbraw/zinc/84/09/43/437840943.db2.gz IZYBKKVBJCQCKN-DOTOQJQBSA-N 1 3 346.475 0.881 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N(C)C2C[NH2+]C2)c(OCCN(C)C)c1 ZINC000415748090 437853100 /nfs/dbraw/zinc/85/31/00/437853100.db2.gz WWZHKEJUVCXMCT-UHFFFAOYSA-N 1 3 334.420 0.304 20 0 ECADHO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415781536 437858885 /nfs/dbraw/zinc/85/88/85/437858885.db2.gz FPCBQGWSFLKMME-LLVKDONJSA-N 1 3 340.399 0.558 20 0 ECADHO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000415782743 437858930 /nfs/dbraw/zinc/85/89/30/437858930.db2.gz HDJYZPHOOJKEQO-CYBMUJFWSA-N 1 3 336.436 0.727 20 0 ECADHO COC(=O)CC1CC([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000424277508 437921772 /nfs/dbraw/zinc/92/17/72/437921772.db2.gz AONSBJXSQILRNT-UHFFFAOYSA-N 1 3 339.480 0.714 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000341964181 437931508 /nfs/dbraw/zinc/93/15/08/437931508.db2.gz CJXMSXLHDCOUHV-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO [NH3+]CCOc1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000415949422 437880349 /nfs/dbraw/zinc/88/03/49/437880349.db2.gz WIPHRVLDJXMLFG-HNNXBMFYSA-N 1 3 336.436 0.992 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)N(C)C1CC1 ZINC000342074749 437958474 /nfs/dbraw/zinc/95/84/74/437958474.db2.gz LPVGVLUCIXLOGE-VQCLRJIVSA-N 1 3 336.480 0.718 20 0 ECADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000357307919 437962454 /nfs/dbraw/zinc/96/24/54/437962454.db2.gz ODSAIXBKLZTWJL-ZWKOTPCHSA-N 1 3 346.475 0.804 20 0 ECADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000357307919 437962459 /nfs/dbraw/zinc/96/24/59/437962459.db2.gz ODSAIXBKLZTWJL-ZWKOTPCHSA-N 1 3 346.475 0.804 20 0 ECADHO CCN1CCO[C@@H](C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000365748767 437962652 /nfs/dbraw/zinc/96/26/52/437962652.db2.gz BWUPRFJRMMKMRA-DLBZAZTESA-N 1 3 338.496 0.334 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342089707 437965228 /nfs/dbraw/zinc/96/52/28/437965228.db2.gz RUCSEHVNLNFVKK-HUUCEWRRSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342089707 437965230 /nfs/dbraw/zinc/96/52/30/437965230.db2.gz RUCSEHVNLNFVKK-HUUCEWRRSA-N 1 3 338.496 0.679 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000347990364 437992149 /nfs/dbraw/zinc/99/21/49/437992149.db2.gz ZAMAWTIQECOXQH-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[NH2+]C1 ZINC000417012776 438013615 /nfs/dbraw/zinc/01/36/15/438013615.db2.gz AWJPFLSJSIAHIN-GOSISDBHSA-N 1 3 345.491 0.855 20 0 ECADHO CN1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417285296 438037658 /nfs/dbraw/zinc/03/76/58/438037658.db2.gz LHBLLFINQRPYQX-UONOGXRCSA-N 1 3 325.457 0.110 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC000417317384 438038544 /nfs/dbraw/zinc/03/85/44/438038544.db2.gz WNSIBZNPEJTYDN-DLBZAZTESA-N 1 3 333.480 0.801 20 0 ECADHO CC[C@@H]([NH3+])CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417376094 438046453 /nfs/dbraw/zinc/04/64/53/438046453.db2.gz BRFKQEUKYBRXRN-OAHLLOKOSA-N 1 3 334.468 0.630 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417425873 438049626 /nfs/dbraw/zinc/04/96/26/438049626.db2.gz FHMNUGKZVHJTRK-GJZGRUSLSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417432801 438050073 /nfs/dbraw/zinc/05/00/73/438050073.db2.gz UCPLDADUBHCGFO-IHRRRGAJSA-N 1 3 325.457 0.060 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000348021173 438002189 /nfs/dbraw/zinc/00/21/89/438002189.db2.gz QSCSFYZUWJYPKK-LSDHHAIUSA-N 1 3 342.484 0.060 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)NCC[NH2+]C)cc2)CC1 ZINC000416987653 438011286 /nfs/dbraw/zinc/01/12/86/438011286.db2.gz KENOODQQSXVMAA-UHFFFAOYSA-N 1 3 333.480 0.843 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CN1C1CC1 ZINC000417861149 438084870 /nfs/dbraw/zinc/08/48/70/438084870.db2.gz XFQFXEDYNOFXJO-MCIONIFRSA-N 1 3 337.468 0.108 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417941059 438093684 /nfs/dbraw/zinc/09/36/84/438093684.db2.gz AGXHGRIFDMXOKH-HNNXBMFYSA-N 1 3 335.452 0.915 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427048876 438075082 /nfs/dbraw/zinc/07/50/82/438075082.db2.gz JUDWADLCFVZIHG-CVEARBPZSA-N 1 3 334.464 0.378 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427048876 438075087 /nfs/dbraw/zinc/07/50/87/438075087.db2.gz JUDWADLCFVZIHG-CVEARBPZSA-N 1 3 334.464 0.378 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418303061 438127819 /nfs/dbraw/zinc/12/78/19/438127819.db2.gz UYOLELLKFGNWMG-UHFFFAOYSA-N 1 3 339.509 0.727 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000357976443 438113634 /nfs/dbraw/zinc/11/36/34/438113634.db2.gz PWKDAUJMFAJGBX-CVEARBPZSA-N 1 3 327.517 0.898 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000357976443 438113635 /nfs/dbraw/zinc/11/36/35/438113635.db2.gz PWKDAUJMFAJGBX-CVEARBPZSA-N 1 3 327.517 0.898 20 0 ECADHO CN1CCC[C@@H]1C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000357974104 438114484 /nfs/dbraw/zinc/11/44/84/438114484.db2.gz MJMGSSIMOOQMOV-BRWVUGGUSA-N 1 3 348.491 0.767 20 0 ECADHO CN1CCC[C@@H]1C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000357974104 438114489 /nfs/dbraw/zinc/11/44/89/438114489.db2.gz MJMGSSIMOOQMOV-BRWVUGGUSA-N 1 3 348.491 0.767 20 0 ECADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(C[NH3+])CC1 ZINC000430659274 438115103 /nfs/dbraw/zinc/11/51/03/438115103.db2.gz ZDJVYZFVHFGTTD-CQSZACIVSA-N 1 3 332.452 0.184 20 0 ECADHO O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418388320 438138212 /nfs/dbraw/zinc/13/82/12/438138212.db2.gz UURRPKGJPWHOHM-KURKYZTESA-N 1 3 346.475 0.921 20 0 ECADHO C[C@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)CC[C@@H]1[NH3+] ZINC000430942712 438134668 /nfs/dbraw/zinc/13/46/68/438134668.db2.gz DMYSZBNHKAZMIE-GJZGRUSLSA-N 1 3 332.452 0.184 20 0 ECADHO CCC[NH2+]CCNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418480474 438148886 /nfs/dbraw/zinc/14/88/86/438148886.db2.gz QTBLDYQOVMGTGD-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418673234 438174432 /nfs/dbraw/zinc/17/44/32/438174432.db2.gz OONREKSKUPNJTJ-SFFUCWETSA-N 1 3 344.459 0.386 20 0 ECADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000349832450 438183155 /nfs/dbraw/zinc/18/31/55/438183155.db2.gz JPESEPNFULLKAP-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CN3CCN2CCC3)ccn1 ZINC000367271330 438190866 /nfs/dbraw/zinc/19/08/66/438190866.db2.gz RKUAPXCXAIKJIM-MRXNPFEDSA-N 1 3 347.463 0.028 20 0 ECADHO [NH3+][C@@H](CNC(=O)NCC(=O)NCCN1CCCCCC1)C1CC1 ZINC000418483051 438151414 /nfs/dbraw/zinc/15/14/14/438151414.db2.gz FFYRJERQHHRROH-AWEZNQCLSA-N 1 3 325.457 0.015 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000418853794 438218461 /nfs/dbraw/zinc/21/84/61/438218461.db2.gz AOGVVXQUSUAVGX-ZIAGYGMSSA-N 1 3 326.485 0.714 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000418860447 438221915 /nfs/dbraw/zinc/22/19/15/438221915.db2.gz DZMCRVFBOYDGEF-CABCVRRESA-N 1 3 340.512 0.975 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433157704 438226701 /nfs/dbraw/zinc/22/67/01/438226701.db2.gz NPESMEDTHQPHMX-INIZCTEOSA-N 1 3 326.485 0.417 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418871892 438228646 /nfs/dbraw/zinc/22/86/46/438228646.db2.gz FLYKRTCXZWPFLT-ZACQAIPSSA-N 1 3 346.475 0.519 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000418872598 438230635 /nfs/dbraw/zinc/23/06/35/438230635.db2.gz WXYOIEGXTYGYTE-HIFRSBDPSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]1CN(CCCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCCO1 ZINC000418876869 438232370 /nfs/dbraw/zinc/23/23/70/438232370.db2.gz HEXKJEPZTSJXDD-AWEZNQCLSA-N 1 3 342.484 0.047 20 0 ECADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418902883 438242386 /nfs/dbraw/zinc/24/23/86/438242386.db2.gz APDCJDFJJXPDFB-MRXNPFEDSA-N 1 3 332.448 0.793 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000358517064 438243279 /nfs/dbraw/zinc/24/32/79/438243279.db2.gz CFDPXVQHTPDREJ-CRAIPNDOSA-N 1 3 334.464 0.873 20 0 ECADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000418841681 438210811 /nfs/dbraw/zinc/21/08/11/438210811.db2.gz HDDHHIVPIINWKV-OAHLLOKOSA-N 1 3 338.496 0.999 20 0 ECADHO C[C@H](NC(=O)C(=O)NCC(C)(C)N1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418843407 438211313 /nfs/dbraw/zinc/21/13/13/438211313.db2.gz RUPCREHWMJQDBV-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N(C)Cc1ccccc1 ZINC000418941458 438258585 /nfs/dbraw/zinc/25/85/85/438258585.db2.gz IAJBXXFYKRCSNC-BFYDXBDKSA-N 1 3 346.475 0.737 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000418942742 438259460 /nfs/dbraw/zinc/25/94/60/438259460.db2.gz XSUULUVFRIUHEE-MRXNPFEDSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419027952 438296108 /nfs/dbraw/zinc/29/61/08/438296108.db2.gz PIXSMKDXSTVRPI-RKVPGOIHSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000351544810 438285501 /nfs/dbraw/zinc/28/55/01/438285501.db2.gz VWHJYIFDMMLQBO-IAGOWNOFSA-N 1 3 344.459 0.808 20 0 ECADHO Cc1ccc([C@H](CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)N(C)C)cc1 ZINC000358708800 438286430 /nfs/dbraw/zinc/28/64/30/438286430.db2.gz RDONHWBRAJZZQA-WMZOPIPTSA-N 1 3 334.464 0.964 20 0 ECADHO Cc1ccc([C@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)N(C)C)cc1 ZINC000358708800 438286433 /nfs/dbraw/zinc/28/64/33/438286433.db2.gz RDONHWBRAJZZQA-WMZOPIPTSA-N 1 3 334.464 0.964 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000419023017 438290277 /nfs/dbraw/zinc/29/02/77/438290277.db2.gz CXNOKRMOHZMNHX-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419023128 438291751 /nfs/dbraw/zinc/29/17/51/438291751.db2.gz JDSNNWKEZNVLDA-UONOGXRCSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000419025154 438292973 /nfs/dbraw/zinc/29/29/73/438292973.db2.gz LZNIXBCMGKDOBS-RBSFLKMASA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000419025152 438294074 /nfs/dbraw/zinc/29/40/74/438294074.db2.gz LZNIXBCMGKDOBS-KFWWJZLASA-N 1 3 338.496 0.727 20 0 ECADHO CCOC(=O)COCCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000351579792 438294240 /nfs/dbraw/zinc/29/42/40/438294240.db2.gz KBCUBCYKHCZICQ-HNNXBMFYSA-N 1 3 327.469 0.666 20 0 ECADHO CCOC(=O)COCCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000351579792 438294244 /nfs/dbraw/zinc/29/42/44/438294244.db2.gz KBCUBCYKHCZICQ-HNNXBMFYSA-N 1 3 327.469 0.666 20 0 ECADHO CN(CCNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)C1CC1 ZINC000419113524 438326818 /nfs/dbraw/zinc/32/68/18/438326818.db2.gz WGOTZWRLUHJVEO-UHFFFAOYSA-N 1 3 332.448 0.574 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)CN)[NH+]1CCCCCC1 ZINC000419125737 438333938 /nfs/dbraw/zinc/33/39/38/438333938.db2.gz KOKJUDACRGZCDB-HUUCEWRRSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)N1CCC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1=O ZINC000358995661 438343739 /nfs/dbraw/zinc/34/37/39/438343739.db2.gz RJDMVZILEXJZGW-QGZVFWFLSA-N 1 3 340.512 0.366 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419032382 438297342 /nfs/dbraw/zinc/29/73/42/438297342.db2.gz WJCGRJJQUMCUDF-LVQVYYBASA-N 1 3 338.496 0.809 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000368183318 438298059 /nfs/dbraw/zinc/29/80/59/438298059.db2.gz HESJWHANEKNGAL-YHUYYLMFSA-N 1 3 334.464 0.140 20 0 ECADHO CN(C)[C@H]1CCOc2c(NC(=O)C(=O)NCC[NH+](C)C)cccc21 ZINC000434597337 438305739 /nfs/dbraw/zinc/30/57/39/438305739.db2.gz PYUHLWTUTKZGJZ-AWEZNQCLSA-N 1 3 334.420 0.688 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419080872 438313353 /nfs/dbraw/zinc/31/33/53/438313353.db2.gz QKDOYUQXJMFQEP-CRAIPNDOSA-N 1 3 338.496 0.873 20 0 ECADHO CCN1CCN(CCCNC(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000358856841 438317247 /nfs/dbraw/zinc/31/72/47/438317247.db2.gz LSZAGWUNPHVVCH-UHFFFAOYSA-N 1 3 326.485 0.146 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C1CC1 ZINC000359246818 438391272 /nfs/dbraw/zinc/39/12/72/438391272.db2.gz DKMFPTHYKTWLQH-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C1CC1 ZINC000359246818 438391276 /nfs/dbraw/zinc/39/12/76/438391276.db2.gz DKMFPTHYKTWLQH-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO [NH3+]CCCNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419146808 438348954 /nfs/dbraw/zinc/34/89/54/438348954.db2.gz IOHRZJVHNJKUEC-CYBMUJFWSA-N 1 3 338.477 0.541 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000419156617 438349108 /nfs/dbraw/zinc/34/91/08/438349108.db2.gz TVJVRUGUXQZCFV-HOTGVXAUSA-N 1 3 340.512 0.960 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000419156617 438349114 /nfs/dbraw/zinc/34/91/14/438349114.db2.gz TVJVRUGUXQZCFV-HOTGVXAUSA-N 1 3 340.512 0.960 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419156440 438349278 /nfs/dbraw/zinc/34/92/78/438349278.db2.gz BZXZZBJXZQJJHO-QGZVFWFLSA-N 1 3 346.475 0.595 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000419203247 438350101 /nfs/dbraw/zinc/35/01/01/438350101.db2.gz NZBDQNIZXNZWSN-LSDHHAIUSA-N 1 3 334.464 0.819 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000419203247 438350104 /nfs/dbraw/zinc/35/01/04/438350104.db2.gz NZBDQNIZXNZWSN-LSDHHAIUSA-N 1 3 334.464 0.819 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])N1CCC(C)CC1 ZINC000419336316 438352693 /nfs/dbraw/zinc/35/26/93/438352693.db2.gz AAWIBHPXABDNII-LSDHHAIUSA-N 1 3 326.485 0.570 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419785356 438371663 /nfs/dbraw/zinc/37/16/63/438371663.db2.gz YRFFZOMQGZLZTL-KBXCAEBGSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C[NH+]1CCCC1 ZINC000419839961 438374246 /nfs/dbraw/zinc/37/42/46/438374246.db2.gz ZBPKRJKZQYWWMZ-MGPQQGTHSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000420023544 438381787 /nfs/dbraw/zinc/38/17/87/438381787.db2.gz AQVGRCRZKAFMHL-BFHYXJOUSA-N 1 3 340.468 0.016 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000420023544 438381792 /nfs/dbraw/zinc/38/17/92/438381792.db2.gz AQVGRCRZKAFMHL-BFHYXJOUSA-N 1 3 340.468 0.016 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CC[NH2+]1 ZINC000420115422 438387697 /nfs/dbraw/zinc/38/76/97/438387697.db2.gz GPQZRYVFKMYZFQ-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000420793616 438439008 /nfs/dbraw/zinc/43/90/08/438439008.db2.gz KUXWUDLNKHZKCC-GJZGRUSLSA-N 1 3 339.484 0.309 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000420793616 438439011 /nfs/dbraw/zinc/43/90/11/438439011.db2.gz KUXWUDLNKHZKCC-GJZGRUSLSA-N 1 3 339.484 0.309 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000420784753 438439612 /nfs/dbraw/zinc/43/96/12/438439612.db2.gz BWWLCIYBMKDYPR-MRXNPFEDSA-N 1 3 338.496 0.917 20 0 ECADHO CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000420311594 438396318 /nfs/dbraw/zinc/39/63/18/438396318.db2.gz NRGHTEPZKCNNPM-LSDHHAIUSA-N 1 3 325.453 0.991 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000359266083 438399385 /nfs/dbraw/zinc/39/93/85/438399385.db2.gz SGKCTSBHAQNESJ-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000359266083 438399390 /nfs/dbraw/zinc/39/93/90/438399390.db2.gz SGKCTSBHAQNESJ-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000359278941 438403801 /nfs/dbraw/zinc/40/38/01/438403801.db2.gz VHULKZOFPRFXGG-KKUMJFAQSA-N 1 3 326.485 0.774 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000359278941 438403806 /nfs/dbraw/zinc/40/38/06/438403806.db2.gz VHULKZOFPRFXGG-KKUMJFAQSA-N 1 3 326.485 0.774 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000421527686 438490390 /nfs/dbraw/zinc/49/03/90/438490390.db2.gz ZBPFSBQEFPGXLH-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000421527686 438490393 /nfs/dbraw/zinc/49/03/93/438490393.db2.gz ZBPFSBQEFPGXLH-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000420975229 438456749 /nfs/dbraw/zinc/45/67/49/438456749.db2.gz OAZXNJYPLCHXOM-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422277077 438540882 /nfs/dbraw/zinc/54/08/82/438540882.db2.gz HMLPIUCMZUYABB-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422277077 438540887 /nfs/dbraw/zinc/54/08/87/438540887.db2.gz HMLPIUCMZUYABB-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000353692468 438523592 /nfs/dbraw/zinc/52/35/92/438523592.db2.gz UGISCOPFWUSSKJ-UHFFFAOYSA-N 1 3 337.512 0.892 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422285740 438544688 /nfs/dbraw/zinc/54/46/88/438544688.db2.gz UJBDMMIFXPEWDX-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422285740 438544693 /nfs/dbraw/zinc/54/46/93/438544693.db2.gz UJBDMMIFXPEWDX-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422409838 438564241 /nfs/dbraw/zinc/56/42/41/438564241.db2.gz MLBYWYYWHGRORS-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422455470 438573508 /nfs/dbraw/zinc/57/35/08/438573508.db2.gz OLBVAHZNQLOWNF-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422455470 438573511 /nfs/dbraw/zinc/57/35/11/438573511.db2.gz OLBVAHZNQLOWNF-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CCNC[C@@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422722983 438603108 /nfs/dbraw/zinc/60/31/08/438603108.db2.gz ZHRKBILYKQLAHZ-SJORKVTESA-N 1 3 332.496 0.966 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000422354886 438557813 /nfs/dbraw/zinc/55/78/13/438557813.db2.gz USENSRUKEIYCFY-PCKAHOCUSA-N 1 3 336.480 0.672 20 0 ECADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000422874759 438614143 /nfs/dbraw/zinc/61/41/43/438614143.db2.gz BABQABAGYHAPKR-JKSUJKDBSA-N 1 3 346.479 0.622 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000422874759 438614147 /nfs/dbraw/zinc/61/41/47/438614147.db2.gz BABQABAGYHAPKR-JKSUJKDBSA-N 1 3 346.479 0.622 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423058344 438634652 /nfs/dbraw/zinc/63/46/52/438634652.db2.gz BVUVEOQHQDYFEB-HRCADAONSA-N 1 3 338.496 0.618 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)o1 ZINC000423172340 438645281 /nfs/dbraw/zinc/64/52/81/438645281.db2.gz SJBAHTNVZHKVRH-IUODEOHRSA-N 1 3 336.436 0.284 20 0 ECADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423201688 438648998 /nfs/dbraw/zinc/64/89/98/438648998.db2.gz PNJUZXHSTCXDHV-UHFFFAOYSA-N 1 3 334.464 0.427 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000410884853 438666609 /nfs/dbraw/zinc/66/66/09/438666609.db2.gz KPFZIEGMDLVIKW-UHFFFAOYSA-N 1 3 326.485 0.774 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000423378213 438668154 /nfs/dbraw/zinc/66/81/54/438668154.db2.gz WFJFGEZWBMPLFL-UHFFFAOYSA-N 1 3 326.466 0.316 20 0 ECADHO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697130 438716014 /nfs/dbraw/zinc/71/60/14/438716014.db2.gz BMNISSGCNIICDI-ZACQAIPSSA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697130 438716016 /nfs/dbraw/zinc/71/60/16/438716016.db2.gz BMNISSGCNIICDI-ZACQAIPSSA-N 1 3 338.496 0.905 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)C1CC1 ZINC000414877618 438718505 /nfs/dbraw/zinc/71/85/05/438718505.db2.gz MEGLKXABNCQBNZ-UHFFFAOYSA-N 1 3 346.431 0.708 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)C1CC1 ZINC000414877618 438718508 /nfs/dbraw/zinc/71/85/08/438718508.db2.gz MEGLKXABNCQBNZ-UHFFFAOYSA-N 1 3 346.431 0.708 20 0 ECADHO C[C@@H](CNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000454627671 438723786 /nfs/dbraw/zinc/72/37/86/438723786.db2.gz UNWIVCQXKOQZCW-HRCADAONSA-N 1 3 325.501 0.604 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000575071075 438735646 /nfs/dbraw/zinc/73/56/46/438735646.db2.gz NQGPUZTZACPZGI-OAHLLOKOSA-N 1 3 336.484 0.201 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)Cn3cncn3)CC2)CC1 ZINC000553061905 438745108 /nfs/dbraw/zinc/74/51/08/438745108.db2.gz AKWKSAFZRMYGSY-OAHLLOKOSA-N 1 3 348.495 0.979 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC(=O)N(C)C3)CC2)CC1 ZINC000553425305 438751681 /nfs/dbraw/zinc/75/16/81/438751681.db2.gz LPCIMYARDGUZRN-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000556797055 438788449 /nfs/dbraw/zinc/78/84/49/438788449.db2.gz PJBVOKIUCQYZJU-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000556797055 438788452 /nfs/dbraw/zinc/78/84/52/438788452.db2.gz PJBVOKIUCQYZJU-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCN(CCCCNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000577121749 438816751 /nfs/dbraw/zinc/81/67/51/438816751.db2.gz HHZBIHIDMLPKRQ-UHFFFAOYSA-N 1 3 336.484 0.202 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000514603857 438817340 /nfs/dbraw/zinc/81/73/40/438817340.db2.gz SCBVPGMDGIHZIV-RBSFLKMASA-N 1 3 326.485 0.855 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000577165596 438817825 /nfs/dbraw/zinc/81/78/25/438817825.db2.gz NPRLVXGZGKRDNO-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000577220609 438826977 /nfs/dbraw/zinc/82/69/77/438826977.db2.gz KQQHBHNXVRTAJQ-SQWLQELKSA-N 1 3 327.494 0.826 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000515136025 438851772 /nfs/dbraw/zinc/85/17/72/438851772.db2.gz ATPIPGNRPCRJGY-UHFFFAOYSA-N 1 3 338.452 0.580 20 0 ECADHO CC(C)C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)N[C@@H](C)c1ccccc1 ZINC000515525277 438873931 /nfs/dbraw/zinc/87/39/31/438873931.db2.gz LBNJOTGKFMBZOX-GOEBONIOSA-N 1 3 346.475 0.956 20 0 ECADHO C[NH2+]CCC1CCN([C@@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC000595890150 438878772 /nfs/dbraw/zinc/87/87/72/438878772.db2.gz YNEXLCABNJJFIE-OAHLLOKOSA-N 1 3 325.453 0.862 20 0 ECADHO CC(C)[C@@H](C(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@@H](C)[NH3+] ZINC000515839630 438881397 /nfs/dbraw/zinc/88/13/97/438881397.db2.gz MCEDYCGAMGOMMR-CZUORRHYSA-N 1 3 326.485 0.665 20 0 ECADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000601424115 438888678 /nfs/dbraw/zinc/88/86/78/438888678.db2.gz YILSCUBSWMCQHA-SNVBAGLBSA-N 1 3 346.371 0.694 20 0 ECADHO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[C@H](N2CCCCC2)C1 ZINC000578440089 438924184 /nfs/dbraw/zinc/92/41/84/438924184.db2.gz HHGKHLYYOUJFKG-GJZGRUSLSA-N 1 3 332.452 0.731 20 0 ECADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000458940103 438929036 /nfs/dbraw/zinc/92/90/36/438929036.db2.gz RFAJGVXNUBVNLH-DOTOQJQBSA-N 1 3 326.485 0.863 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000516879149 438932751 /nfs/dbraw/zinc/93/27/51/438932751.db2.gz NYHWKDYQSIGKOU-LSDHHAIUSA-N 1 3 337.468 0.060 20 0 ECADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000565491023 438954983 /nfs/dbraw/zinc/95/49/83/438954983.db2.gz LYNZCDXSMAMNID-JKSUJKDBSA-N 1 3 345.447 0.202 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000517539674 438969253 /nfs/dbraw/zinc/96/92/53/438969253.db2.gz SJOMQJDSGZBGKZ-HOTGVXAUSA-N 1 3 325.501 0.781 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000517539674 438969256 /nfs/dbraw/zinc/96/92/56/438969256.db2.gz SJOMQJDSGZBGKZ-HOTGVXAUSA-N 1 3 325.501 0.781 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000566370137 439047915 /nfs/dbraw/zinc/04/79/15/439047915.db2.gz ZQWSSJQWRVEFFS-INIZCTEOSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N1CCNCC1 ZINC000519643426 439050526 /nfs/dbraw/zinc/05/05/26/439050526.db2.gz QWIJUDFWUQDGDN-SJLPKXTDSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N1CCNCC1 ZINC000519643426 439050531 /nfs/dbraw/zinc/05/05/31/439050531.db2.gz QWIJUDFWUQDGDN-SJLPKXTDSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCNCC1 ZINC000519643426 439050537 /nfs/dbraw/zinc/05/05/37/439050537.db2.gz QWIJUDFWUQDGDN-SJLPKXTDSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C(=O)NCCN(C)C ZINC000566463048 439057378 /nfs/dbraw/zinc/05/73/78/439057378.db2.gz SPHUDHSNNPNXKY-HOCLYGCPSA-N 1 3 334.464 0.862 20 0 ECADHO C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C(=O)NCCN(C)C ZINC000566463044 439058694 /nfs/dbraw/zinc/05/86/94/439058694.db2.gz SPHUDHSNNPNXKY-GDBMZVCRSA-N 1 3 334.464 0.862 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CCN(CC)CC3)C2)C1 ZINC000596881171 439011958 /nfs/dbraw/zinc/01/19/58/439011958.db2.gz JSJVCBOYLKKMOM-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CCN(CC)CC3)C2)C1 ZINC000596881171 439011960 /nfs/dbraw/zinc/01/19/60/439011960.db2.gz JSJVCBOYLKKMOM-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000459894665 439027227 /nfs/dbraw/zinc/02/72/27/439027227.db2.gz IQEHINLTZRDLDQ-UHFFFAOYSA-N 1 3 326.485 0.587 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000566228397 439029117 /nfs/dbraw/zinc/02/91/17/439029117.db2.gz OOOBHWWIUZMDIE-OLZOCXBDSA-N 1 3 336.436 0.808 20 0 ECADHO CN(C)CCOCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000471658625 439090206 /nfs/dbraw/zinc/09/02/06/439090206.db2.gz MRHSWUHRWNRMTR-JKSUJKDBSA-N 1 3 342.484 0.242 20 0 ECADHO CN(C)CCOCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000471662363 439092081 /nfs/dbraw/zinc/09/20/81/439092081.db2.gz LARHFMIGMZLSTJ-MRXNPFEDSA-N 1 3 326.485 0.938 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000566572530 439074099 /nfs/dbraw/zinc/07/40/99/439074099.db2.gz FYTBSDNKQYRQPE-GJZGRUSLSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000460077462 439076624 /nfs/dbraw/zinc/07/66/24/439076624.db2.gz FSPSTCNAZHULCV-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000460077462 439076628 /nfs/dbraw/zinc/07/66/28/439076628.db2.gz FSPSTCNAZHULCV-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000580723311 439123360 /nfs/dbraw/zinc/12/33/60/439123360.db2.gz VRGWKWWCNOZTNK-HNNXBMFYSA-N 1 3 337.468 0.628 20 0 ECADHO O=C(CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCNCC1 ZINC000567639149 439159327 /nfs/dbraw/zinc/15/93/27/439159327.db2.gz ZQDPLXQOROAVKS-GBESFXJTSA-N 1 3 342.487 0.918 20 0 ECADHO O=C(CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCNCC1 ZINC000567639149 439159331 /nfs/dbraw/zinc/15/93/31/439159331.db2.gz ZQDPLXQOROAVKS-GBESFXJTSA-N 1 3 342.487 0.918 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000523075443 439161940 /nfs/dbraw/zinc/16/19/40/439161940.db2.gz BUQUXFCXRRCYQK-AWEZNQCLSA-N 1 3 348.447 0.763 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000523075443 439161946 /nfs/dbraw/zinc/16/19/46/439161946.db2.gz BUQUXFCXRRCYQK-AWEZNQCLSA-N 1 3 348.447 0.763 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000592138879 439164390 /nfs/dbraw/zinc/16/43/90/439164390.db2.gz OEECMQHIONCYMT-HNNXBMFYSA-N 1 3 325.453 0.910 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581203223 439185358 /nfs/dbraw/zinc/18/53/58/439185358.db2.gz ZOXKYQHLTNNMIZ-XGUBFFRZSA-N 1 3 337.468 0.203 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581203223 439185362 /nfs/dbraw/zinc/18/53/62/439185362.db2.gz ZOXKYQHLTNNMIZ-XGUBFFRZSA-N 1 3 337.468 0.203 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)NC(C)(C)C ZINC000524923652 439197317 /nfs/dbraw/zinc/19/73/17/439197317.db2.gz WNPSBMGJDQSFBP-UHFFFAOYSA-N 1 3 329.489 0.426 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000582052222 439283664 /nfs/dbraw/zinc/28/36/64/439283664.db2.gz YKBJALBYFPRWFI-AEFFLSMTSA-N 1 3 345.491 0.854 20 0 ECADHO CN(CCC(=O)NC(=O)NCc1ccccc1)CCN1CC[NH2+]CC1 ZINC000592472323 439236371 /nfs/dbraw/zinc/23/63/71/439236371.db2.gz YRHZFZNRXVZDIJ-UHFFFAOYSA-N 1 3 347.463 0.240 20 0 ECADHO Cn1ccnc1[C@@H]1CNCCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000581824907 439254609 /nfs/dbraw/zinc/25/46/09/439254609.db2.gz KNGIVYCREXGBLZ-ULQDDVLXSA-N 1 3 329.448 0.297 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000568535164 439258164 /nfs/dbraw/zinc/25/81/64/439258164.db2.gz SZDKPXSUEUXIEL-XHSDSOJGSA-N 1 3 336.480 0.291 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000568618437 439262836 /nfs/dbraw/zinc/26/28/36/439262836.db2.gz KJXJHRZUIUZAEF-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582350626 439324077 /nfs/dbraw/zinc/32/40/77/439324077.db2.gz DUYVWTKPXIUCGU-YJBOKZPZSA-N 1 3 336.480 0.579 20 0 ECADHO O=C(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000582108109 439291118 /nfs/dbraw/zinc/29/11/18/439291118.db2.gz RTLZPAPRVMJSBP-IAGOWNOFSA-N 1 3 348.491 0.627 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000582655775 439362792 /nfs/dbraw/zinc/36/27/92/439362792.db2.gz DSPFAOOAUPHSHW-INIZCTEOSA-N 1 3 332.448 0.347 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCNC(=O)OC ZINC000491265742 439358622 /nfs/dbraw/zinc/35/86/22/439358622.db2.gz PEDPZWXQBITNPI-AWEZNQCLSA-N 1 3 328.457 0.607 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCNC(=O)OC ZINC000491265742 439358625 /nfs/dbraw/zinc/35/86/25/439358625.db2.gz PEDPZWXQBITNPI-AWEZNQCLSA-N 1 3 328.457 0.607 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000569840647 439367056 /nfs/dbraw/zinc/36/70/56/439367056.db2.gz DXXSXMLCNNXAOC-KFWWJZLASA-N 1 3 334.468 0.880 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000583078797 439418020 /nfs/dbraw/zinc/41/80/20/439418020.db2.gz LBDCETVIFFWAGF-VKJFTORMSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000570663726 439439930 /nfs/dbraw/zinc/43/99/30/439439930.db2.gz UMHPEOFUQZJDIA-CYBMUJFWSA-N 1 3 330.432 0.945 20 0 ECADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000570663726 439439936 /nfs/dbraw/zinc/43/99/36/439439936.db2.gz UMHPEOFUQZJDIA-CYBMUJFWSA-N 1 3 330.432 0.945 20 0 ECADHO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736075 439455898 /nfs/dbraw/zinc/45/58/98/439455898.db2.gz FKZBCTWKQNXXMB-OSFYFWSMSA-N 1 3 338.452 0.581 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000570298426 439408626 /nfs/dbraw/zinc/40/86/26/439408626.db2.gz ZMUMHCVVOGQLJU-YESZJQIVSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000570298426 439408633 /nfs/dbraw/zinc/40/86/33/439408633.db2.gz ZMUMHCVVOGQLJU-YESZJQIVSA-N 1 3 348.491 0.626 20 0 ECADHO O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN2CCC[C@@H]2C1 ZINC000571312853 439494949 /nfs/dbraw/zinc/49/49/49/439494949.db2.gz IOSUNTQTWZLBLY-HRCADAONSA-N 1 3 334.464 0.141 20 0 ECADHO CCN1CCN(CCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000583696116 439501986 /nfs/dbraw/zinc/50/19/86/439501986.db2.gz FQWYKEPZJOMIQJ-UHFFFAOYSA-N 1 3 348.495 0.106 20 0 ECADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2 ZINC000593735072 439457183 /nfs/dbraw/zinc/45/71/83/439457183.db2.gz XDNPNFWWZAPXCU-GWCFXTLKSA-N 1 3 336.358 0.825 20 0 ECADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2 ZINC000593735072 439457185 /nfs/dbraw/zinc/45/71/85/439457185.db2.gz XDNPNFWWZAPXCU-GWCFXTLKSA-N 1 3 336.358 0.825 20 0 ECADHO [NH3+]C[C@]12CCC[C@H]1CN(CCC(=O)NC(=O)NCC(F)(F)F)C2 ZINC000593735072 439457187 /nfs/dbraw/zinc/45/71/87/439457187.db2.gz XDNPNFWWZAPXCU-GWCFXTLKSA-N 1 3 336.358 0.825 20 0 ECADHO CN(C)C/C=C\C(=O)N(C1CC1)[C@H]1CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000492347008 439524809 /nfs/dbraw/zinc/52/48/09/439524809.db2.gz WLBBAONNPZFIFB-GUYHVPFFSA-N 1 3 348.491 0.814 20 0 ECADHO CN(C)C/C=C/C(=O)N1CC[C@H](N(C(=O)/C=C\C[NH+](C)C)C2CC2)C1 ZINC000492347008 439524814 /nfs/dbraw/zinc/52/48/14/439524814.db2.gz WLBBAONNPZFIFB-GUYHVPFFSA-N 1 3 348.491 0.814 20 0 ECADHO CN(C)C/C=C/C(=O)N(C)CC(C)(C)CNC(=O)/C=C\C[NH+](C)C ZINC000492401127 439532380 /nfs/dbraw/zinc/53/23/80/439532380.db2.gz SYDGCEJIKMLCEX-PNQPDEHRSA-N 1 3 338.496 0.823 20 0 ECADHO CN(C)C/C=C\C(=O)NCC(C)(C)CN(C)C(=O)/C=C/C[NH+](C)C ZINC000492401127 439532384 /nfs/dbraw/zinc/53/23/84/439532384.db2.gz SYDGCEJIKMLCEX-PNQPDEHRSA-N 1 3 338.496 0.823 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000584008792 439539136 /nfs/dbraw/zinc/53/91/36/439539136.db2.gz IANFXOQYINUHLD-HOCLYGCPSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000584008792 439539142 /nfs/dbraw/zinc/53/91/42/439539142.db2.gz IANFXOQYINUHLD-HOCLYGCPSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cn(C2CC[NH2+]CC2)nn1 ZINC000584052200 439543488 /nfs/dbraw/zinc/54/34/88/439543488.db2.gz VZRWKOUZQUQVTG-UHFFFAOYSA-N 1 3 342.403 0.937 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000584047362 439543514 /nfs/dbraw/zinc/54/35/14/439543514.db2.gz OFEHJQCTXYMOQQ-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000571984091 439547022 /nfs/dbraw/zinc/54/70/22/439547022.db2.gz HCTCABDCDAMDTC-ZWKOTPCHSA-N 1 3 345.491 0.854 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000572386288 439578467 /nfs/dbraw/zinc/57/84/67/439578467.db2.gz CAQXYYQIELLGLV-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCn2cnc3ccccc3c2=O)C1 ZINC000584470572 439591008 /nfs/dbraw/zinc/59/10/08/439591008.db2.gz PNGBDTYYGRIZSC-AWEZNQCLSA-N 1 3 343.431 0.183 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1CCCCC1 ZINC000572587677 439593288 /nfs/dbraw/zinc/59/32/88/439593288.db2.gz GIGAUZVBTXSTRX-HOTGVXAUSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCCO1 ZINC000572600866 439595313 /nfs/dbraw/zinc/59/53/13/439595313.db2.gz QGWRIIDXSJSDQE-IAGOWNOFSA-N 1 3 332.448 0.870 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000584750207 439611939 /nfs/dbraw/zinc/61/19/39/439611939.db2.gz HBXRGGMZFFSYMQ-UHFFFAOYSA-N 1 3 349.435 0.975 20 0 ECADHO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CCN2C1=O ZINC000594881767 439639094 /nfs/dbraw/zinc/63/90/94/439639094.db2.gz JOYRAKOCYKIASP-BBWFWOEESA-N 1 3 342.443 0.421 20 0 ECADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000573319955 439640454 /nfs/dbraw/zinc/64/04/54/439640454.db2.gz DMHHXCNMTSVEHN-CJNGLKHVSA-N 1 3 332.448 0.592 20 0 ECADHO C[C@H]1CC[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000573000368 439623403 /nfs/dbraw/zinc/62/34/03/439623403.db2.gz URRCFPHOVQQDPY-LSDHHAIUSA-N 1 3 326.485 0.491 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C[C@@H](O)C[N@H+](C)C(C)C)C2)CC1 ZINC000595339057 439707325 /nfs/dbraw/zinc/70/73/25/439707325.db2.gz NUSHODJTXGUHED-MSOLQXFVSA-N 1 3 326.529 0.788 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C2)CC1 ZINC000595339057 439707329 /nfs/dbraw/zinc/70/73/29/439707329.db2.gz NUSHODJTXGUHED-MSOLQXFVSA-N 1 3 326.529 0.788 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000611647968 439714157 /nfs/dbraw/zinc/71/41/57/439714157.db2.gz HIAGUJMCQCGOLY-BPUTZDHNSA-N 1 3 336.480 0.528 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000611647968 439714161 /nfs/dbraw/zinc/71/41/61/439714161.db2.gz HIAGUJMCQCGOLY-BPUTZDHNSA-N 1 3 336.480 0.528 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000612551222 439728866 /nfs/dbraw/zinc/72/88/66/439728866.db2.gz FELZYXXJGQIBTR-OAHLLOKOSA-N 1 3 345.447 0.331 20 0 ECADHO CC(C)([NH3+])CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916611 439745798 /nfs/dbraw/zinc/74/57/98/439745798.db2.gz BNFUIVZPAVRWJI-ZDUSSCGKSA-N 1 3 349.483 0.446 20 0 ECADHO C[C@H](CCCCNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@H]1CCCN1C ZINC000615123452 439794480 /nfs/dbraw/zinc/79/44/80/439794480.db2.gz UZZYYKGAVTXMDS-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CCCCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@H]1CCCN1C ZINC000615123452 439794481 /nfs/dbraw/zinc/79/44/81/439794481.db2.gz UZZYYKGAVTXMDS-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662756473 439879811 /nfs/dbraw/zinc/87/98/11/439879811.db2.gz IBDTWGZXYCPZKV-QZTJIDSGSA-N 1 3 346.475 0.414 20 0 ECADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000662662107 439836866 /nfs/dbraw/zinc/83/68/66/439836866.db2.gz ZJDSYKBEIOLZPK-NSHGMRRFSA-N 1 3 343.471 0.998 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000636441571 439881394 /nfs/dbraw/zinc/88/13/94/439881394.db2.gz MLCNJZHWABOCMV-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)c1 ZINC000662699295 439847493 /nfs/dbraw/zinc/84/74/93/439847493.db2.gz ZSQIMVAARMCQAI-MRXNPFEDSA-N 1 3 346.475 0.982 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652442952 439850679 /nfs/dbraw/zinc/85/06/79/439850679.db2.gz BRNJAVOLRSACIR-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO Cn1cncc1CC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000641820006 439924098 /nfs/dbraw/zinc/92/40/98/439924098.db2.gz LASSHLSRSJKTMM-OAHLLOKOSA-N 1 3 343.479 0.975 20 0 ECADHO Cn1cncc1CC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000641820006 439924107 /nfs/dbraw/zinc/92/41/07/439924107.db2.gz LASSHLSRSJKTMM-OAHLLOKOSA-N 1 3 343.479 0.975 20 0 ECADHO CCC(=O)N1CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617506149 439899214 /nfs/dbraw/zinc/89/92/14/439899214.db2.gz BWJJQECQQCSBBD-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCC(=O)N1CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617506149 439899218 /nfs/dbraw/zinc/89/92/18/439899218.db2.gz BWJJQECQQCSBBD-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO Cc1cc(C)n2nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc2n1 ZINC000617504240 439902074 /nfs/dbraw/zinc/90/20/74/439902074.db2.gz LZTWBSXRYHRYGN-ZDUSSCGKSA-N 1 3 347.467 0.743 20 0 ECADHO Cc1cc(C)n2nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc2n1 ZINC000617504240 439902078 /nfs/dbraw/zinc/90/20/78/439902078.db2.gz LZTWBSXRYHRYGN-ZDUSSCGKSA-N 1 3 347.467 0.743 20 0 ECADHO CCN(CCNC(=O)C(=O)NCc1ccccc1C[NH2+]C)C1CC1 ZINC000652684007 439919869 /nfs/dbraw/zinc/91/98/69/439919869.db2.gz CSNGWZHVWXVWPG-UHFFFAOYSA-N 1 3 332.448 0.623 20 0 ECADHO C[C@H]1CCCCN1CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631909480 439969140 /nfs/dbraw/zinc/96/91/40/439969140.db2.gz GAOGUPLEWFDDPN-AWEZNQCLSA-N 1 3 332.514 0.769 20 0 ECADHO CC1CCN(CCCNS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631911692 439971381 /nfs/dbraw/zinc/97/13/81/439971381.db2.gz OKUVBEMSGRLIDT-UHFFFAOYSA-N 1 3 332.514 0.627 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000642330370 439973474 /nfs/dbraw/zinc/97/34/74/439973474.db2.gz BCPJSOJYJPUELA-CABCVRRESA-N 1 3 338.496 0.810 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626965897 439974148 /nfs/dbraw/zinc/97/41/48/439974148.db2.gz NXRMZYVZDYRSRF-INIZCTEOSA-N 1 3 342.484 0.365 20 0 ECADHO C[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CN1CCN(C)CC1 ZINC000626986195 439979890 /nfs/dbraw/zinc/97/98/90/439979890.db2.gz CNRXGNSEIYDKQM-RYQLBKOJSA-N 1 3 337.512 0.511 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000626987157 439980949 /nfs/dbraw/zinc/98/09/49/439980949.db2.gz ZEBONWFAGYUXEC-OWCLPIDISA-N 1 3 325.501 0.700 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](CC)CN2CCCC2)CC1 ZINC000642440130 439982681 /nfs/dbraw/zinc/98/26/81/439982681.db2.gz WPWTVVFBXKTKEP-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662914479 439939462 /nfs/dbraw/zinc/93/94/62/439939462.db2.gz AMOWDQKZZJEFIU-TZMCWYRMSA-N 1 3 335.370 0.898 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)N1CCCCC1 ZINC000642084348 439946363 /nfs/dbraw/zinc/94/63/63/439946363.db2.gz FXGWISBOPOIGAK-RRFJBIMHSA-N 1 3 336.480 0.563 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000636613716 439959308 /nfs/dbraw/zinc/95/93/08/439959308.db2.gz MCIOEPJIKPUBQL-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000642262655 439963344 /nfs/dbraw/zinc/96/33/44/439963344.db2.gz ZBWDHEDKRGOZDR-WBVHZDCISA-N 1 3 346.475 0.881 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000642262604 439964699 /nfs/dbraw/zinc/96/46/99/439964699.db2.gz KJWXIZOJXQNLMM-NVXWUHKLSA-N 1 3 346.475 0.881 20 0 ECADHO CC(C)[NH2+]CC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016404 439989204 /nfs/dbraw/zinc/98/92/04/439989204.db2.gz CTLZMHGOZPAEDZ-CQSZACIVSA-N 1 3 334.468 0.523 20 0 ECADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017811 439992286 /nfs/dbraw/zinc/99/22/86/439992286.db2.gz LXXCTWLEZWIGQA-MELADBBJSA-N 1 3 334.468 0.509 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@H](O)C(F)F)CC2)CC1 ZINC000636681465 439992551 /nfs/dbraw/zinc/99/25/51/439992551.db2.gz XMZFSFBCEGCLCI-AWEZNQCLSA-N 1 3 348.438 0.860 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000631945036 440001213 /nfs/dbraw/zinc/00/12/13/440001213.db2.gz NVAOSBSRJVHHIO-CABCVRRESA-N 1 3 333.498 0.486 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000636701221 440002183 /nfs/dbraw/zinc/00/21/83/440002183.db2.gz KGKRENLIFRVBIZ-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000631945039 440002271 /nfs/dbraw/zinc/00/22/71/440002271.db2.gz NVAOSBSRJVHHIO-LSDHHAIUSA-N 1 3 333.498 0.486 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000631947959 440005188 /nfs/dbraw/zinc/00/51/88/440005188.db2.gz RDSNABJNLFTADI-ZNMIVQPWSA-N 1 3 333.498 0.486 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000631947956 440005557 /nfs/dbraw/zinc/00/55/57/440005557.db2.gz RDSNABJNLFTADI-KKUMJFAQSA-N 1 3 333.498 0.486 20 0 ECADHO COCCNCCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627083373 440006069 /nfs/dbraw/zinc/00/60/69/440006069.db2.gz RITDVCIIADXDGU-MNOVXSKESA-N 1 3 326.363 0.391 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000627103796 440008279 /nfs/dbraw/zinc/00/82/79/440008279.db2.gz NIIYFGARGFFNFZ-HNNXBMFYSA-N 1 3 340.468 0.261 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014614 439988216 /nfs/dbraw/zinc/98/82/16/439988216.db2.gz MKVNZLLSNKIUEA-AWEZNQCLSA-N 1 3 334.468 0.525 20 0 ECADHO CC(CCN1CCNC(=O)C[C@H]1C)CC[N@@H+]1CCNC(=O)C[C@H]1C ZINC000663437618 440073806 /nfs/dbraw/zinc/07/38/06/440073806.db2.gz IIQCFAAXLRIKEQ-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CC(CCN1CCNC(=O)C[C@H]1C)CC[N@H+]1CCNC(=O)C[C@H]1C ZINC000663437618 440073814 /nfs/dbraw/zinc/07/38/14/440073814.db2.gz IIQCFAAXLRIKEQ-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CC1(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000642971396 440074382 /nfs/dbraw/zinc/07/43/82/440074382.db2.gz NNAAJINIIJNEAA-UHFFFAOYSA-N 1 3 345.447 0.236 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)CC2 ZINC000642989112 440079011 /nfs/dbraw/zinc/07/90/11/440079011.db2.gz SOFADOLOIZNRMH-LVQVYYBASA-N 1 3 336.480 0.717 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000643392020 440134371 /nfs/dbraw/zinc/13/43/71/440134371.db2.gz LAYVFWWFDOGMOB-GDBMZVCRSA-N 1 3 338.496 0.774 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627303311 440107245 /nfs/dbraw/zinc/10/72/45/440107245.db2.gz NMPPQRZGNHFSOT-KRWDZBQOSA-N 1 3 346.475 0.822 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627303311 440107250 /nfs/dbraw/zinc/10/72/50/440107250.db2.gz NMPPQRZGNHFSOT-KRWDZBQOSA-N 1 3 346.475 0.822 20 0 ECADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627303627 440108206 /nfs/dbraw/zinc/10/82/06/440108206.db2.gz XSMSCELRYTYVSF-DLBZAZTESA-N 1 3 344.459 0.493 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643478934 440179748 /nfs/dbraw/zinc/17/97/48/440179748.db2.gz RALKESRSGZBPTB-UHFFFAOYSA-N 1 3 333.436 0.174 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC(C)C)CC[C@H]1[NH3+] ZINC000643482917 440182433 /nfs/dbraw/zinc/18/24/33/440182433.db2.gz WOVGUHBQRAHQPY-HUUCEWRRSA-N 1 3 326.485 0.618 20 0 ECADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000618988979 440185940 /nfs/dbraw/zinc/18/59/40/440185940.db2.gz IQDLIXOFXGKSFT-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)C(=O)[C@H]1CC[C@H](CNC2CC[NH+](CC(C)(C)O)CC2)O1 ZINC000647909869 440188522 /nfs/dbraw/zinc/18/85/22/440188522.db2.gz PYQPCZMJFSGUNN-HUUCEWRRSA-N 1 3 327.469 0.447 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000643498743 440189571 /nfs/dbraw/zinc/18/95/71/440189571.db2.gz OBTKCJLJPBFKAM-HOCLYGCPSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000643516676 440195053 /nfs/dbraw/zinc/19/50/53/440195053.db2.gz IVXMZOISKGTUPJ-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)N2CCCC23CCN(C)CC3)C[C@H]1C[NH3+] ZINC000643530122 440199590 /nfs/dbraw/zinc/19/95/90/440199590.db2.gz NVACPQQOBXHAKB-LSDHHAIUSA-N 1 3 336.480 0.517 20 0 ECADHO [NH3+]CC[C@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)C(F)(F)F ZINC000659023695 440208940 /nfs/dbraw/zinc/20/89/40/440208940.db2.gz LZQAAADNLJMXRL-RYUDHWBXSA-N 1 3 338.374 0.819 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000643571165 440212917 /nfs/dbraw/zinc/21/29/17/440212917.db2.gz AVEWTERBXDGRBG-HYVNUMGLSA-N 1 3 348.491 0.802 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000643571165 440212921 /nfs/dbraw/zinc/21/29/21/440212921.db2.gz AVEWTERBXDGRBG-HYVNUMGLSA-N 1 3 348.491 0.802 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[NH2+]1 ZINC000627481774 440233262 /nfs/dbraw/zinc/23/32/62/440233262.db2.gz ICYQSZMJGPHXHJ-GJZGRUSLSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+](C)C ZINC000659094644 440243279 /nfs/dbraw/zinc/24/32/79/440243279.db2.gz ORWJZDRBAXWVDA-XJKSGUPXSA-N 1 3 348.447 0.742 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)C2)nn1 ZINC000648177645 440253008 /nfs/dbraw/zinc/25/30/08/440253008.db2.gz LGNQLKLLOLTNJK-NEPJUHHUSA-N 1 3 328.367 0.145 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000664366992 440298683 /nfs/dbraw/zinc/29/86/83/440298683.db2.gz GQOAMJVKIBHBQD-ZIAGYGMSSA-N 1 3 339.484 0.273 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000664366992 440298688 /nfs/dbraw/zinc/29/86/88/440298688.db2.gz GQOAMJVKIBHBQD-ZIAGYGMSSA-N 1 3 339.484 0.273 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654368202 440300700 /nfs/dbraw/zinc/30/07/00/440300700.db2.gz VAHIZRXEUIUVQE-FZNQNYSPSA-N 1 3 325.501 0.652 20 0 ECADHO C[NH+]1CCC(n2cc(NC(=O)N3CCN4C[C@H](O)C[C@H]4C3)cn2)CC1 ZINC000637661979 440314992 /nfs/dbraw/zinc/31/49/92/440314992.db2.gz PYUGVCWFWUMKSI-JKSUJKDBSA-N 1 3 348.451 0.433 20 0 ECADHO C[C@@H]1CNCCN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637815786 440344466 /nfs/dbraw/zinc/34/44/66/440344466.db2.gz BXTBYVKMNYWTEM-GFCCVEGCSA-N 1 3 331.420 0.737 20 0 ECADHO C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664630407 440347759 /nfs/dbraw/zinc/34/77/59/440347759.db2.gz RFUUPOSFYTUPQC-OTRWWLKZSA-N 1 3 338.496 0.956 20 0 ECADHO C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664630407 440347766 /nfs/dbraw/zinc/34/77/66/440347766.db2.gz RFUUPOSFYTUPQC-OTRWWLKZSA-N 1 3 338.496 0.956 20 0 ECADHO C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664630319 440347800 /nfs/dbraw/zinc/34/78/00/440347800.db2.gz RFUUPOSFYTUPQC-OHFALNGGSA-N 1 3 338.496 0.956 20 0 ECADHO C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664630319 440347810 /nfs/dbraw/zinc/34/78/10/440347810.db2.gz RFUUPOSFYTUPQC-OHFALNGGSA-N 1 3 338.496 0.956 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000659610252 440373601 /nfs/dbraw/zinc/37/36/01/440373601.db2.gz YYPJNUUWUHOBLO-HLLBOEOZSA-N 1 3 336.480 0.881 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654461777 440323271 /nfs/dbraw/zinc/32/32/71/440323271.db2.gz RYFOYWNFKXAVEA-ZACQAIPSSA-N 1 3 339.528 0.899 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659441299 440324738 /nfs/dbraw/zinc/32/47/38/440324738.db2.gz DJCURGJVAIBOQJ-NEPJUHHUSA-N 1 3 336.440 0.561 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659441299 440324743 /nfs/dbraw/zinc/32/47/43/440324743.db2.gz DJCURGJVAIBOQJ-NEPJUHHUSA-N 1 3 336.440 0.561 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000659448664 440327982 /nfs/dbraw/zinc/32/79/82/440327982.db2.gz IYPKDRZKSYXXCC-UHFFFAOYSA-N 1 3 349.479 0.857 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659452815 440328577 /nfs/dbraw/zinc/32/85/77/440328577.db2.gz SSGQNJFJVLPOCN-UHFFFAOYSA-N 1 3 339.484 0.500 20 0 ECADHO N[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[C@H]1F ZINC000659470658 440335277 /nfs/dbraw/zinc/33/52/77/440335277.db2.gz GGTLDTWEFIPFOX-FPCVCCKLSA-N 1 3 342.459 0.835 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)CC1 ZINC000659680697 440415293 /nfs/dbraw/zinc/41/52/93/440415293.db2.gz QMXFMVFDZJVREP-ZBFHGGJFSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659680791 440416709 /nfs/dbraw/zinc/41/67/09/440416709.db2.gz LFQVGGREINXRTQ-CYBMUJFWSA-N 1 3 326.485 0.809 20 0 ECADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC2CC1(CN)C2)CC(C)C ZINC000659686021 440421225 /nfs/dbraw/zinc/42/12/25/440421225.db2.gz XOBMRZMVCUTHHK-CSLYMUCUSA-N 1 3 338.496 0.809 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659688917 440423239 /nfs/dbraw/zinc/42/32/39/440423239.db2.gz OHBYEUTXZBKLRU-SWKXRBFHSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(NCC12CC(C1)C[NH2+]2)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000659615903 440374844 /nfs/dbraw/zinc/37/48/44/440374844.db2.gz CARSCQYZHYFZIN-KVZIAJEVSA-N 1 3 344.459 0.675 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000659630199 440380831 /nfs/dbraw/zinc/38/08/31/440380831.db2.gz GLKSIVOYWUNACX-DGCLKSJQSA-N 1 3 336.440 0.513 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000659630199 440380835 /nfs/dbraw/zinc/38/08/35/440380835.db2.gz GLKSIVOYWUNACX-DGCLKSJQSA-N 1 3 336.440 0.513 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659677949 440412138 /nfs/dbraw/zinc/41/21/38/440412138.db2.gz JDNJKPYWTIUYCR-DOTOQJQBSA-N 1 3 346.475 0.739 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)CC1 ZINC000659676858 440412345 /nfs/dbraw/zinc/41/23/45/440412345.db2.gz JZNCECBMNQSAQE-ZBFHGGJFSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000659726935 440465650 /nfs/dbraw/zinc/46/56/50/440465650.db2.gz NERGLHOHVAEENR-FXUDXRNXSA-N 1 3 336.480 0.705 20 0 ECADHO CN(C)CCn1cc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cn1 ZINC000638153586 440468027 /nfs/dbraw/zinc/46/80/27/440468027.db2.gz IDJMVVRGRPPWOX-AWEZNQCLSA-N 1 3 328.420 0.908 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000659742773 440480274 /nfs/dbraw/zinc/48/02/74/440480274.db2.gz VVZCCLRYEPAQAG-HUUCEWRRSA-N 1 3 342.484 0.045 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737358 440473459 /nfs/dbraw/zinc/47/34/59/440473459.db2.gz TUTYQLHRZKCBLC-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659736247 440473723 /nfs/dbraw/zinc/47/37/23/440473723.db2.gz MDUYMVXSDKLLHB-TXKKKEFDSA-N 1 3 334.464 0.378 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737143 440473963 /nfs/dbraw/zinc/47/39/63/440473963.db2.gz ROPUAWCGQGKJBN-ZNMIVQPWSA-N 1 3 336.480 0.705 20 0 ECADHO CN(C)C[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347424 440478550 /nfs/dbraw/zinc/47/85/50/440478550.db2.gz WHQZLHNNOLRQTA-UONOGXRCSA-N 1 3 346.431 0.210 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000659742003 440479066 /nfs/dbraw/zinc/47/90/66/440479066.db2.gz SCXUEZOAMACFOF-LSDHHAIUSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](CN)C1 ZINC000659710378 440444637 /nfs/dbraw/zinc/44/46/37/440444637.db2.gz RAHWJXQTOUTYTI-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](NC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C)C1CC[NH+](C)CC1 ZINC000644165587 440456801 /nfs/dbraw/zinc/45/68/01/440456801.db2.gz CCXNWZZWKGOIJF-SQWLQELKSA-N 1 3 326.485 0.813 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000649311436 440457305 /nfs/dbraw/zinc/45/73/05/440457305.db2.gz QDPOBDCQJPQZPM-ZSHCYNCHSA-N 1 3 330.432 0.060 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659722867 440459568 /nfs/dbraw/zinc/45/95/68/440459568.db2.gz PRUSELSOGJLEAL-GJZGRUSLSA-N 1 3 336.480 0.768 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(C)([NH3+])CC2)CC1=O ZINC000649357882 440485483 /nfs/dbraw/zinc/48/54/83/440485483.db2.gz SYALQMKSLUASJH-CABCVRRESA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CN1CC[NH2+]CC1 ZINC000638276299 440491864 /nfs/dbraw/zinc/49/18/64/440491864.db2.gz LYTLEIGCDKXWLM-UHFFFAOYSA-N 1 3 340.418 0.760 20 0 ECADHO CN1CCC[C@H](N2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000649414697 440493231 /nfs/dbraw/zinc/49/32/31/440493231.db2.gz QZJRMDZFXCWSPA-UFYCRDLUSA-N 1 3 346.519 0.629 20 0 ECADHO CN1CCN(CC2CCN(C(=O)[C@@]3(C[NH3+])CCCOC3)CC2)CC1 ZINC000638277758 440495459 /nfs/dbraw/zinc/49/54/59/440495459.db2.gz UUJSZRUXCPIRGW-GOSISDBHSA-N 1 3 338.496 0.228 20 0 ECADHO [NH3+]C1(CNC(=O)Cc2nnc[nH]2)CCN(Cc2ccccc2)CC1 ZINC000638342906 440517242 /nfs/dbraw/zinc/51/72/42/440517242.db2.gz HNARYVNWIWOGAL-UHFFFAOYSA-N 1 3 328.420 0.457 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000638356933 440521867 /nfs/dbraw/zinc/52/18/67/440521867.db2.gz IMJHXTKWJWQPQD-JYJNAYRXSA-N 1 3 329.485 0.803 20 0 ECADHO COCC1(O)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665761154 440526297 /nfs/dbraw/zinc/52/62/97/440526297.db2.gz YVIQLXLXVPHLTI-HNNXBMFYSA-N 1 3 344.500 0.441 20 0 ECADHO COCC1(O)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665761154 440526302 /nfs/dbraw/zinc/52/63/02/440526302.db2.gz YVIQLXLXVPHLTI-HNNXBMFYSA-N 1 3 344.500 0.441 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)C1CCOCC1 ZINC000665758768 440526357 /nfs/dbraw/zinc/52/63/57/440526357.db2.gz OSADLMPRDOKCNR-GOEBONIOSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)C1CCOCC1 ZINC000665758768 440526364 /nfs/dbraw/zinc/52/63/64/440526364.db2.gz OSADLMPRDOKCNR-GOEBONIOSA-N 1 3 344.500 0.345 20 0 ECADHO COC[C@]1(CO)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763434 440527349 /nfs/dbraw/zinc/52/73/49/440527349.db2.gz ALJQKMQJIOIRRI-DOTOQJQBSA-N 1 3 344.500 0.299 20 0 ECADHO COC[C@]1(CO)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763434 440527354 /nfs/dbraw/zinc/52/73/54/440527354.db2.gz ALJQKMQJIOIRRI-DOTOQJQBSA-N 1 3 344.500 0.299 20 0 ECADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294600 440527847 /nfs/dbraw/zinc/52/78/47/440527847.db2.gz CHKMJPPAKIEGLZ-FGTMMUONSA-N 1 3 329.444 0.786 20 0 ECADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294600 440527852 /nfs/dbraw/zinc/52/78/52/440527852.db2.gz CHKMJPPAKIEGLZ-FGTMMUONSA-N 1 3 329.444 0.786 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649350605 440482647 /nfs/dbraw/zinc/48/26/47/440482647.db2.gz RVYIHYMDEPTOGW-BWTSREIZSA-N 1 3 342.487 0.906 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1=O ZINC000638506134 440557741 /nfs/dbraw/zinc/55/77/41/440557741.db2.gz QZJSZTMPKCRJTH-XHSDSOJGSA-N 1 3 348.491 0.720 20 0 ECADHO C[NH+]1CCC(N2CC[C@H](NC(=O)c3conc3C(C)(C)N)C2)CC1 ZINC000655448858 440565341 /nfs/dbraw/zinc/56/53/41/440565341.db2.gz ZYZCALKKULDYDL-LBPRGKRZSA-N 1 3 335.452 0.767 20 0 ECADHO C[C@@H](NC(=O)NC[C@H]1CCCN1CCCO)C1CC[NH+](C)CC1 ZINC000655576982 440592130 /nfs/dbraw/zinc/59/21/30/440592130.db2.gz SUEYRWGSALEWQC-GDBMZVCRSA-N 1 3 326.485 0.863 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655932668 440649011 /nfs/dbraw/zinc/64/90/11/440649011.db2.gz ZFOBREYPLYCORR-LLVKDONJSA-N 1 3 339.406 0.591 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638928926 440652857 /nfs/dbraw/zinc/65/28/57/440652857.db2.gz CMIYDEIQEZTNCV-WCQYABFASA-N 1 3 331.420 0.865 20 0 ECADHO NC1(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)Cc2ccccc2C1 ZINC000638986761 440658526 /nfs/dbraw/zinc/65/85/26/440658526.db2.gz AEDFVHJKAKAVHL-UHFFFAOYSA-N 1 3 337.427 0.926 20 0 ECADHO C[C@H](CNC(=O)N1CCN(CCN(C)C)C(=O)C1)C[NH+]1CCCC1 ZINC000650695817 440673452 /nfs/dbraw/zinc/67/34/52/440673452.db2.gz AHOXXFBFVNOTRN-OAHLLOKOSA-N 1 3 339.484 0.134 20 0 ECADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000666770850 440687727 /nfs/dbraw/zinc/68/77/27/440687727.db2.gz VVAFDINGYJFQKL-HNNXBMFYSA-N 1 3 330.432 0.945 20 0 ECADHO C[N@H+](CCCO)C1CCN(C(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000655920069 440642799 /nfs/dbraw/zinc/64/27/99/440642799.db2.gz RWQWNQYKJVNKAG-LLVKDONJSA-N 1 3 326.363 0.364 20 0 ECADHO C[N@@H+](CCCO)C1CCN(C(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000655920069 440642804 /nfs/dbraw/zinc/64/28/04/440642804.db2.gz RWQWNQYKJVNKAG-LLVKDONJSA-N 1 3 326.363 0.364 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656027840 440698258 /nfs/dbraw/zinc/69/82/58/440698258.db2.gz GBAPPEIBVIRKRH-BPUTZDHNSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@@H](NCCOCCC[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000629535222 440719592 /nfs/dbraw/zinc/71/95/92/440719592.db2.gz DDRBAAXXUPWZDU-CYBMUJFWSA-N 1 3 329.466 0.953 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1=O ZINC000629541489 440722206 /nfs/dbraw/zinc/72/22/06/440722206.db2.gz VNAWCQCLENREAT-KBPBESRZSA-N 1 3 338.452 0.535 20 0 ECADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCCOCCC[NH3+] ZINC000629539282 440722378 /nfs/dbraw/zinc/72/23/78/440722378.db2.gz PDIFSKNBULGMSG-CYBMUJFWSA-N 1 3 329.466 0.967 20 0 ECADHO CCS(=O)(=O)N1CCC(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629573576 440735009 /nfs/dbraw/zinc/73/50/09/440735009.db2.gz JNFDVZDJRMQAOU-HNNXBMFYSA-N 1 3 333.498 0.094 20 0 ECADHO COC[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1CCOCC1 ZINC000661158942 440803830 /nfs/dbraw/zinc/80/38/30/440803830.db2.gz QIUXNFNIXBKUGK-KRWDZBQOSA-N 1 3 339.480 0.761 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCN(c2ccncc2)CC1 ZINC000645221152 440765599 /nfs/dbraw/zinc/76/55/99/440765599.db2.gz GXEHKGFSYMVOGI-ZDUSSCGKSA-N 1 3 326.404 0.844 20 0 ECADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629797864 440766173 /nfs/dbraw/zinc/76/61/73/440766173.db2.gz GIKTYOGOULOMAY-IHETXDGRSA-N 1 3 336.480 0.243 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645265164 440772486 /nfs/dbraw/zinc/77/24/86/440772486.db2.gz SOQLQPGCRRFYPT-AWEZNQCLSA-N 1 3 327.473 0.480 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645265164 440772490 /nfs/dbraw/zinc/77/24/90/440772490.db2.gz SOQLQPGCRRFYPT-AWEZNQCLSA-N 1 3 327.473 0.480 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000645267201 440774394 /nfs/dbraw/zinc/77/43/94/440774394.db2.gz IJCBUCOGABRNIP-RDBSUJKOSA-N 1 3 325.457 0.231 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000645267201 440774400 /nfs/dbraw/zinc/77/44/00/440774400.db2.gz IJCBUCOGABRNIP-RDBSUJKOSA-N 1 3 325.457 0.231 20 0 ECADHO C[C@@H](CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)[NH+](C)C ZINC000635254249 440796501 /nfs/dbraw/zinc/79/65/01/440796501.db2.gz AMWCZVBNNXQSQV-LBPRGKRZSA-N 1 3 333.436 0.983 20 0 ECADHO c1cn(C[C@@H]2CCN(CCC[N@@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145302 440798651 /nfs/dbraw/zinc/79/86/51/440798651.db2.gz KIQWJSRUUJZEAC-CALCHBBNSA-N 1 3 344.467 0.604 20 0 ECADHO c1cn(C[C@@H]2CCN(CCC[N@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145302 440798658 /nfs/dbraw/zinc/79/86/58/440798658.db2.gz KIQWJSRUUJZEAC-CALCHBBNSA-N 1 3 344.467 0.604 20 0 ECADHO c1cn(C[C@@H]2CC[N@@H+](CCCN3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145302 440798666 /nfs/dbraw/zinc/79/86/66/440798666.db2.gz KIQWJSRUUJZEAC-CALCHBBNSA-N 1 3 344.467 0.604 20 0 ECADHO c1cn(C[C@@H]2CC[N@H+](CCCN3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145302 440798672 /nfs/dbraw/zinc/79/86/72/440798672.db2.gz KIQWJSRUUJZEAC-CALCHBBNSA-N 1 3 344.467 0.604 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000635640935 440931860 /nfs/dbraw/zinc/93/18/60/440931860.db2.gz QOCHYACUMRTRGC-BRWVUGGUSA-N 1 3 339.480 0.809 20 0 ECADHO O=C(CN1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)N1CCCC1 ZINC000662260061 440997535 /nfs/dbraw/zinc/99/75/35/440997535.db2.gz GCRNLAAJEWPNCV-INIZCTEOSA-N 1 3 336.480 0.138 20 0 ECADHO CC(=O)N1CCC(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662317105 441011170 /nfs/dbraw/zinc/01/11/70/441011170.db2.gz ZKQMBNDSSKAYTP-RHSMWYFYSA-N 1 3 338.496 0.953 20 0 ECADHO COC[C@H](CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)OC ZINC000662335956 441015622 /nfs/dbraw/zinc/01/56/22/441015622.db2.gz BJUKWJZALYGBHS-CABCVRRESA-N 1 3 337.468 0.660 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC[C@H]2CCCN2CCOC)C[C@H]1C[NH3+] ZINC000652150056 441018399 /nfs/dbraw/zinc/01/83/99/441018399.db2.gz KLZAGTSADMYFEW-RBSFLKMASA-N 1 3 328.457 0.102 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652233373 441035529 /nfs/dbraw/zinc/03/55/29/441035529.db2.gz UYSXRXLGLQEGFP-UHFFFAOYSA-N 1 3 325.501 0.831 20 0 ECADHO C[NH+](C)CCNC(=O)C1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000189370112 320539329 /nfs/dbraw/zinc/53/93/29/320539329.db2.gz UUMQPIIBQCSVCS-LBPRGKRZSA-N 1 3 325.375 0.690 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339651398 320993374 /nfs/dbraw/zinc/99/33/74/320993374.db2.gz NKBQHPCHBQXHOQ-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000339920193 321003783 /nfs/dbraw/zinc/00/37/83/321003783.db2.gz KJBIBTBUGUAGGF-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340256211 321030538 /nfs/dbraw/zinc/03/05/38/321030538.db2.gz PDAFDNURTZVZLE-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000340258507 321030652 /nfs/dbraw/zinc/03/06/52/321030652.db2.gz VQWGTWIGHWQPBO-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000340258507 321030654 /nfs/dbraw/zinc/03/06/54/321030654.db2.gz VQWGTWIGHWQPBO-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000342043656 321073162 /nfs/dbraw/zinc/07/31/62/321073162.db2.gz RXDWRPJAGANNEP-HRCADAONSA-N 1 3 338.496 0.966 20 0 ECADHO COCCN(C)CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000342383724 321088492 /nfs/dbraw/zinc/08/84/92/321088492.db2.gz VAJNRZTUTHCYGO-OAHLLOKOSA-N 1 3 329.510 0.898 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000342900108 321108828 /nfs/dbraw/zinc/10/88/28/321108828.db2.gz YZUGDODOUOTNBH-OAHLLOKOSA-N 1 3 338.496 0.966 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C1CC1 ZINC000343313816 321132625 /nfs/dbraw/zinc/13/26/25/321132625.db2.gz TVCWDUQHPVZJJV-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C1CC1 ZINC000343313816 321132626 /nfs/dbraw/zinc/13/26/26/321132626.db2.gz TVCWDUQHPVZJJV-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO CS[C@@H]1CN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1[NH+](C)C ZINC000343634047 321140495 /nfs/dbraw/zinc/14/04/95/321140495.db2.gz FTFORBZNBXLVIN-ARKGTOAJSA-N 1 3 331.526 0.434 20 0 ECADHO Cn1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c(-c2cccnc2)n1 ZINC000347026389 321228114 /nfs/dbraw/zinc/22/81/14/321228114.db2.gz TTXMNVKKRKVREN-OAHLLOKOSA-N 1 3 342.447 0.769 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCN1C ZINC000348030591 321262890 /nfs/dbraw/zinc/26/28/90/321262890.db2.gz XSNLEGJXXITLRB-DZGCQCFKSA-N 1 3 336.480 0.576 20 0 ECADHO COCCN(CCOC)C1CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000353011152 321378720 /nfs/dbraw/zinc/37/87/20/321378720.db2.gz YEIRNZSCUCDFFX-KRWDZBQOSA-N 1 3 343.512 0.766 20 0 ECADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H](CO)C1CCOCC1)c1ccccc1 ZINC000355048681 321489021 /nfs/dbraw/zinc/48/90/21/321489021.db2.gz FEKPONNVVOMNOQ-QZTJIDSGSA-N 1 3 349.475 0.783 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545177174 322105947 /nfs/dbraw/zinc/10/59/47/322105947.db2.gz NTKRLCMUHWXVNY-WBVHZDCISA-N 1 3 326.485 0.863 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545177174 322105950 /nfs/dbraw/zinc/10/59/50/322105950.db2.gz NTKRLCMUHWXVNY-WBVHZDCISA-N 1 3 326.485 0.863 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000549985368 322164192 /nfs/dbraw/zinc/16/41/92/322164192.db2.gz QNDFGOAMCJBULY-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nn(C)cc1Br ZINC000559582493 322222144 /nfs/dbraw/zinc/22/21/44/322222144.db2.gz XMDFPDXUMBYHFQ-UHFFFAOYSA-N 1 3 346.273 0.748 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000560636656 322247982 /nfs/dbraw/zinc/24/79/82/322247982.db2.gz ZZPWLGHYUNUDFV-ROUUACIJSA-N 1 3 346.475 0.575 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000562805613 322285007 /nfs/dbraw/zinc/28/50/07/322285007.db2.gz FEZWMOBECIBRKF-BPQIPLTHSA-N 1 3 345.491 0.791 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000562805615 322285029 /nfs/dbraw/zinc/28/50/29/322285029.db2.gz FEZWMOBECIBRKF-NJAFHUGGSA-N 1 3 345.491 0.791 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH+](C3CCC3)CC2)CC1=O ZINC000562949864 322289162 /nfs/dbraw/zinc/28/91/62/322289162.db2.gz WYBOIMQAWZEVHX-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000563088534 322296958 /nfs/dbraw/zinc/29/69/58/322296958.db2.gz KZGBBYCUKIILAH-OIPACUDHSA-N 1 3 336.480 0.025 20 0 ECADHO CN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000563102051 322298191 /nfs/dbraw/zinc/29/81/91/322298191.db2.gz UWJMXWUDLJKRFF-ZWKOTPCHSA-N 1 3 330.476 1.000 20 0 ECADHO CN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000563102051 322298193 /nfs/dbraw/zinc/29/81/93/322298193.db2.gz UWJMXWUDLJKRFF-ZWKOTPCHSA-N 1 3 330.476 1.000 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000563119540 322299280 /nfs/dbraw/zinc/29/92/80/322299280.db2.gz ITIQRRCQDVUKFH-AWEZNQCLSA-N 1 3 343.497 0.421 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000563214838 322304873 /nfs/dbraw/zinc/30/48/73/322304873.db2.gz DSIRDLJUYSMEEO-QYZOEREBSA-N 1 3 333.476 0.714 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000563214838 322304875 /nfs/dbraw/zinc/30/48/75/322304875.db2.gz DSIRDLJUYSMEEO-QYZOEREBSA-N 1 3 333.476 0.714 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H]1CN1CCOCC1 ZINC000563214838 322304876 /nfs/dbraw/zinc/30/48/76/322304876.db2.gz DSIRDLJUYSMEEO-QYZOEREBSA-N 1 3 333.476 0.714 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)N1CCCCC1 ZINC000563289421 322307837 /nfs/dbraw/zinc/30/78/37/322307837.db2.gz SZTRXORRBXVHLK-UHFFFAOYSA-N 1 3 338.496 0.955 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)nn1 ZINC000563451636 322320955 /nfs/dbraw/zinc/32/09/55/322320955.db2.gz OFFBAQMECKESFG-UHFFFAOYSA-N 1 3 342.447 0.674 20 0 ECADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CC1(C)C ZINC000564821261 322395886 /nfs/dbraw/zinc/39/58/86/322395886.db2.gz HGKALJUQRKKPQG-GJZGRUSLSA-N 1 3 340.512 0.879 20 0 ECADHO C[NH+](C)CCc1ccccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566504565 322540141 /nfs/dbraw/zinc/54/01/41/322540141.db2.gz KOMLAJMXJLWORI-LSDHHAIUSA-N 1 3 345.447 0.566 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)C2)CC1 ZINC000568508690 322630840 /nfs/dbraw/zinc/63/08/40/322630840.db2.gz LNURRXCENFYGII-IAGOWNOFSA-N 1 3 338.496 0.382 20 0 ECADHO Cc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000571795234 322733844 /nfs/dbraw/zinc/73/38/44/322733844.db2.gz ZXKWEVSUFQMXEJ-OAHLLOKOSA-N 1 3 332.452 0.821 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000571821667 322734669 /nfs/dbraw/zinc/73/46/69/322734669.db2.gz QPRBKHMIWFMVCP-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000571821668 322734749 /nfs/dbraw/zinc/73/47/49/322734749.db2.gz QPRBKHMIWFMVCP-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO C[NH2+][C@@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000576106624 322801630 /nfs/dbraw/zinc/80/16/30/322801630.db2.gz BTKGAUHWRZTLNO-CYBMUJFWSA-N 1 3 329.470 0.044 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)[NH+]1CCCC1 ZINC000576685293 322812958 /nfs/dbraw/zinc/81/29/58/322812958.db2.gz ITLBMALOIPFJNP-ZDUSSCGKSA-N 1 3 346.431 0.708 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000577111328 322825621 /nfs/dbraw/zinc/82/56/21/322825621.db2.gz PSLWORUAZKOLSV-INIZCTEOSA-N 1 3 332.448 0.529 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000577269808 322830289 /nfs/dbraw/zinc/83/02/89/322830289.db2.gz JSUGVXSCLWYJGH-IXDOHACOSA-N 1 3 332.448 0.714 20 0 ECADHO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000577946836 322850780 /nfs/dbraw/zinc/85/07/80/322850780.db2.gz XQLULLWDFQACRB-LPHOPBHVSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000578767976 322874707 /nfs/dbraw/zinc/87/47/07/322874707.db2.gz JTJPROQANFGRRX-ILXRZTDVSA-N 1 3 337.468 0.060 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CCC[C@H](C[NH3+])C2)ccn1 ZINC000579453277 322896671 /nfs/dbraw/zinc/89/66/71/322896671.db2.gz UIHDNXBBCZIHMZ-OAHLLOKOSA-N 1 3 335.452 0.902 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000339671722 517656290 /nfs/dbraw/zinc/65/62/90/517656290.db2.gz PWJBPUZTZHZVBE-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000287421715 538135114 /nfs/dbraw/zinc/13/51/14/538135114.db2.gz RTQBSSONIDJJMB-AWEZNQCLSA-N 1 3 349.479 0.727 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N(C)C ZINC000236710771 545927629 /nfs/dbraw/zinc/92/76/29/545927629.db2.gz BDJPIQDTRVPEPO-JYJNAYRXSA-N 1 3 338.496 0.679 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000342983253 546087763 /nfs/dbraw/zinc/08/77/63/546087763.db2.gz ANIQJEOTTPWTCB-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415947862 546208383 /nfs/dbraw/zinc/20/83/83/546208383.db2.gz BFTNHNDWYLOCGG-CYBMUJFWSA-N 1 3 335.456 0.738 20 0 ECADHO CN(C)CC[N@H+](C)CCCNCc1ccc(S(N)(=O)=O)cc1F ZINC000623087176 546728804 /nfs/dbraw/zinc/72/88/04/546728804.db2.gz CWJJGBNOFWEQMZ-UHFFFAOYSA-N 1 3 346.472 0.446 20 0 ECADHO CN(C)CC[N@@H+](C)CCCNCc1ccc(S(N)(=O)=O)cc1F ZINC000623087176 546728809 /nfs/dbraw/zinc/72/88/09/546728809.db2.gz CWJJGBNOFWEQMZ-UHFFFAOYSA-N 1 3 346.472 0.446 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC000625028859 547008877 /nfs/dbraw/zinc/00/88/77/547008877.db2.gz ZKHARVVVVRROBJ-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC000625028859 547008880 /nfs/dbraw/zinc/00/88/80/547008880.db2.gz ZKHARVVVVRROBJ-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C[C@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000634645471 547383226 /nfs/dbraw/zinc/38/32/26/547383226.db2.gz NRYCVJADDMMLHH-RBUKOAKNSA-N 1 3 333.476 0.886 20 0 ECADHO CN(C)C[C@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000634645471 547383228 /nfs/dbraw/zinc/38/32/28/547383228.db2.gz NRYCVJADDMMLHH-RBUKOAKNSA-N 1 3 333.476 0.886 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccccc2CCN(C)C)CCO1 ZINC000667404124 547516617 /nfs/dbraw/zinc/51/66/17/547516617.db2.gz BIQNXYFPGXFLLP-XJKSGUPXSA-N 1 3 348.447 0.304 20 0 ECADHO CO[C@H]1CS(=O)(=O)C[C@@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000668506566 547672718 /nfs/dbraw/zinc/67/27/18/547672718.db2.gz KPZIFOAARYXMRG-GJZGRUSLSA-N 1 3 325.434 0.452 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000668672604 547720430 /nfs/dbraw/zinc/72/04/30/547720430.db2.gz VKKJYLFINHTACW-CABCVRRESA-N 1 3 326.485 0.679 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000669232949 547856774 /nfs/dbraw/zinc/85/67/74/547856774.db2.gz USDMEIXJACWCIM-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669500060 547900170 /nfs/dbraw/zinc/90/01/70/547900170.db2.gz HSLJXDKNEFWOGU-HOTGVXAUSA-N 1 3 325.501 0.701 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NC[C@H]2CCCC[NH2+]2)ccn1 ZINC000669547214 547905051 /nfs/dbraw/zinc/90/50/51/547905051.db2.gz ZZOBSWSPLAUMJQ-OAHLLOKOSA-N 1 3 335.452 0.963 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000670997046 548078214 /nfs/dbraw/zinc/07/82/14/548078214.db2.gz UKHLCHBPPAFBQB-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000671091258 548088135 /nfs/dbraw/zinc/08/81/35/548088135.db2.gz XTJBUAYOMQPSSS-KRWDZBQOSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000671091668 548089333 /nfs/dbraw/zinc/08/93/33/548089333.db2.gz AHMJRWKWYMTRFF-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000671091670 548089474 /nfs/dbraw/zinc/08/94/74/548089474.db2.gz AHMJRWKWYMTRFF-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672305552 548302737 /nfs/dbraw/zinc/30/27/37/548302737.db2.gz TVFAFJMDLQSTQJ-HOTGVXAUSA-N 1 3 336.480 0.435 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672305552 548302740 /nfs/dbraw/zinc/30/27/40/548302740.db2.gz TVFAFJMDLQSTQJ-HOTGVXAUSA-N 1 3 336.480 0.435 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NCC3([NH+](C)C)CCC3)CC2)C1 ZINC000682122718 549364355 /nfs/dbraw/zinc/36/43/55/549364355.db2.gz GBXRUMZOPUTINP-INIZCTEOSA-N 1 3 337.512 0.892 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000752668238 579388970 /nfs/dbraw/zinc/38/89/70/579388970.db2.gz CZIWIAYCAHPCQP-RDJZCZTQSA-N 1 3 342.484 0.242 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000752668239 579389027 /nfs/dbraw/zinc/38/90/27/579389027.db2.gz CZIWIAYCAHPCQP-WBVHZDCISA-N 1 3 342.484 0.242 20 0 ECADHO CCN1CCN(CCNC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727078455 578155152 /nfs/dbraw/zinc/15/51/52/578155152.db2.gz XIHBXMBXZMLVGZ-UHFFFAOYSA-N 1 3 329.558 0.676 20 0 ECADHO C[NH+]1CCC(C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000736849788 578456883 /nfs/dbraw/zinc/45/68/83/578456883.db2.gz XCAWXSHMTHCBFA-UHFFFAOYSA-N 1 3 326.408 0.946 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000793696497 578935304 /nfs/dbraw/zinc/93/53/04/578935304.db2.gz AVQUVAHDULYDTA-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000774307426 579245519 /nfs/dbraw/zinc/24/55/19/579245519.db2.gz DMQUYVDNDPSBIL-OAHLLOKOSA-N 1 3 342.484 0.807 20 0 ECADHO CN1CC=C(CNC(=O)C(F)C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000867229488 588948824 /nfs/dbraw/zinc/94/88/24/588948824.db2.gz IVODYXJMDKCCNO-UHFFFAOYSA-N 1 3 338.427 0.081 20 0 ECADHO CN1CC=C(CNC(=O)C(F)C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000867229488 588948826 /nfs/dbraw/zinc/94/88/26/588948826.db2.gz IVODYXJMDKCCNO-UHFFFAOYSA-N 1 3 338.427 0.081 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)N1CCCCC1 ZINC000842015860 589008086 /nfs/dbraw/zinc/00/80/86/589008086.db2.gz PERBIELLDFHZDS-GOEBONIOSA-N 1 3 332.448 0.793 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000842015384 589008331 /nfs/dbraw/zinc/00/83/31/589008331.db2.gz KECHXKRHHMOFAR-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N1CCCCC1 ZINC000842016763 589008468 /nfs/dbraw/zinc/00/84/68/589008468.db2.gz XTJRQXPDDQZPEA-QAPCUYQASA-N 1 3 336.480 0.579 20 0 ECADHO CN(C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1CCC([NH3+])CC1 ZINC000842219170 589021542 /nfs/dbraw/zinc/02/15/42/589021542.db2.gz XNDSYRNFDQOFLL-NRXISQOPSA-N 1 3 338.496 0.951 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804732490 586063020 /nfs/dbraw/zinc/06/30/20/586063020.db2.gz PXQSIZGPHVFMCP-OWCLPIDISA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891483046 586170573 /nfs/dbraw/zinc/17/05/73/586170573.db2.gz MJJVGLHXJPACLP-ZNMIVQPWSA-N 1 3 337.468 0.075 20 0 ECADHO C[C@@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)CN1CCN(C)CC1 ZINC000891604004 586181224 /nfs/dbraw/zinc/18/12/24/586181224.db2.gz UYNHUBOXMVUUJV-JYJNAYRXSA-N 1 3 325.501 0.687 20 0 ECADHO CC(C)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000891753538 586194532 /nfs/dbraw/zinc/19/45/32/586194532.db2.gz ZASYILMADLIKBH-DLBZAZTESA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000891753538 586194534 /nfs/dbraw/zinc/19/45/34/586194534.db2.gz ZASYILMADLIKBH-DLBZAZTESA-N 1 3 339.528 0.994 20 0 ECADHO Cc1noc(C2(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2)n1 ZINC000895665277 586197289 /nfs/dbraw/zinc/19/72/89/586197289.db2.gz AVDCWHSCEZGPDC-LBPRGKRZSA-N 1 3 338.456 0.938 20 0 ECADHO Cc1noc(C2(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2)n1 ZINC000895665277 586197291 /nfs/dbraw/zinc/19/72/91/586197291.db2.gz AVDCWHSCEZGPDC-LBPRGKRZSA-N 1 3 338.456 0.938 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000892076209 586219930 /nfs/dbraw/zinc/21/99/30/586219930.db2.gz UBDVZIDZRGWASS-ZBFHGGJFSA-N 1 3 326.485 0.984 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000892090493 586220865 /nfs/dbraw/zinc/22/08/65/586220865.db2.gz ALSDPXXOWKNCHV-GDBMZVCRSA-N 1 3 326.485 0.984 20 0 ECADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000896162700 586224231 /nfs/dbraw/zinc/22/42/31/586224231.db2.gz GRSSFCLWLNHPLX-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000892274855 586241655 /nfs/dbraw/zinc/24/16/55/586241655.db2.gz UQMUGIVBBYKAIP-INIZCTEOSA-N 1 3 335.496 0.692 20 0 ECADHO C[C@H]1CCN(CCNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000897435989 586318683 /nfs/dbraw/zinc/31/86/83/586318683.db2.gz SRYHREHPLQYNKN-IRXDYDNUSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H]1CCN(CCNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000897435989 586318686 /nfs/dbraw/zinc/31/86/86/586318686.db2.gz SRYHREHPLQYNKN-IRXDYDNUSA-N 1 3 337.512 0.750 20 0 ECADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000897557509 586344684 /nfs/dbraw/zinc/34/46/84/586344684.db2.gz NKXVUKQYXMAYHD-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000897557509 586344686 /nfs/dbraw/zinc/34/46/86/586344686.db2.gz NKXVUKQYXMAYHD-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]1CCCN1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000893868461 586364587 /nfs/dbraw/zinc/36/45/87/586364587.db2.gz YINUZRAQHMIQTE-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841113125 586379203 /nfs/dbraw/zinc/37/92/03/586379203.db2.gz PIMSXNDFJNZKHW-UHFFFAOYSA-N 1 3 334.420 0.515 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccn(C)c(=O)n3)CC2)CC1 ZINC000898131427 586402293 /nfs/dbraw/zinc/40/22/93/586402293.db2.gz IDAPJXVNJANJFB-UHFFFAOYSA-N 1 3 347.463 0.749 20 0 ECADHO C[C@@H]1CC[N@H+](CCNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000894600739 586402917 /nfs/dbraw/zinc/40/29/17/586402917.db2.gz FGMMXVUGRCUQJN-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H]1CC[N@@H+](CCNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000894600739 586402920 /nfs/dbraw/zinc/40/29/20/586402920.db2.gz FGMMXVUGRCUQJN-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO COc1ccc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)nc1 ZINC000894894172 586417606 /nfs/dbraw/zinc/41/76/06/586417606.db2.gz JFNRIETXSMEAHN-UHFFFAOYSA-N 1 3 334.464 0.976 20 0 ECADHO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000898621742 586438628 /nfs/dbraw/zinc/43/86/28/586438628.db2.gz CTQKZLAIMOBHIJ-UGUYLWEFSA-N 1 3 338.496 0.347 20 0 ECADHO COCCN1CCCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900375474 586628043 /nfs/dbraw/zinc/62/80/43/586628043.db2.gz YPKKPHKBHWULAH-UHFFFAOYSA-N 1 3 340.512 0.583 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000901163219 586699736 /nfs/dbraw/zinc/69/97/36/586699736.db2.gz RWYRQROGUMXZAD-HLLBOEOZSA-N 1 3 349.479 0.768 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(=O)n3ccccc3n1)C2 ZINC000903492276 586779504 /nfs/dbraw/zinc/77/95/04/586779504.db2.gz LEQABKJYYCMICL-JCGVRSQUSA-N 1 3 342.399 0.407 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1C[C@H](C)C[C@H](C)C1)C2 ZINC000903491063 586779514 /nfs/dbraw/zinc/77/95/14/586779514.db2.gz UCELSNGZDJYZIM-KCTHJMFYSA-N 1 3 337.464 0.703 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@](C)(C[NH3+])C(C)C ZINC000903492244 586779633 /nfs/dbraw/zinc/77/96/33/586779633.db2.gz DZVZJOAEITUXQN-OAHLLOKOSA-N 1 3 345.513 0.713 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N([C@H](C)C1CC1)C1CC1)C2 ZINC000903493155 586779654 /nfs/dbraw/zinc/77/96/54/586779654.db2.gz VRQMYGXMFSDODN-JUIVLLAYSA-N 1 3 349.475 0.988 20 0 ECADHO CN1CCN(C(=O)CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)CC1 ZINC000903507421 586783191 /nfs/dbraw/zinc/78/31/91/586783191.db2.gz YWUUJZKPDUCURT-HDICACEKSA-N 1 3 349.523 0.051 20 0 ECADHO CN1CCN(C(=O)CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)CC1 ZINC000903507421 586783193 /nfs/dbraw/zinc/78/31/93/586783193.db2.gz YWUUJZKPDUCURT-HDICACEKSA-N 1 3 349.523 0.051 20 0 ECADHO CN1CCN(C(=O)CCN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC000903507421 586783194 /nfs/dbraw/zinc/78/31/94/586783194.db2.gz YWUUJZKPDUCURT-HDICACEKSA-N 1 3 349.523 0.051 20 0 ECADHO CCN1CCC(NC(=O)CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903538638 586783539 /nfs/dbraw/zinc/78/35/39/586783539.db2.gz FRAXPNCJENBAAF-QWHCGFSZSA-N 1 3 336.402 0.798 20 0 ECADHO [NH3+]CC1(c2ccccc2)CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000903532893 586785546 /nfs/dbraw/zinc/78/55/46/586785546.db2.gz TZUWBAVRNGVFKL-UHFFFAOYSA-N 1 3 338.477 0.129 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](N)C1 ZINC000903719651 586801158 /nfs/dbraw/zinc/80/11/58/586801158.db2.gz RRCVDNQJMKOPOY-WDEREUQCSA-N 1 3 338.374 0.135 20 0 ECADHO CN1CCC[C@H](N2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)C1 ZINC000903741388 586807069 /nfs/dbraw/zinc/80/70/69/586807069.db2.gz PEOQBBAFTQSGTR-ROUUACIJSA-N 1 3 336.524 0.857 20 0 ECADHO COC(=O)CCN1CC[C@@H](N2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000903790902 586813212 /nfs/dbraw/zinc/81/32/12/586813212.db2.gz GDPRFAFCOBMSQC-CQSZACIVSA-N 1 3 325.453 0.847 20 0 ECADHO O=C(N1CCOCC1)C1([NH2+]C[C@H]2CCC3(CNC3)O2)CCCCC1 ZINC000903830311 586818491 /nfs/dbraw/zinc/81/84/91/586818491.db2.gz YYNPIWXKZBYDSB-OAHLLOKOSA-N 1 3 337.464 0.659 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@H](CN2CCOCC2)C1 ZINC000903898487 586824251 /nfs/dbraw/zinc/82/42/51/586824251.db2.gz NUEPQOQLMFGPTK-HZPDHXFCSA-N 1 3 334.468 0.357 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000903932033 586826741 /nfs/dbraw/zinc/82/67/41/586826741.db2.gz LJFNKVSFOABFNZ-IRXDYDNUSA-N 1 3 348.495 0.889 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCNC[C@@H]2c2ccncc2)cnn1C ZINC000903918258 586827325 /nfs/dbraw/zinc/82/73/25/586827325.db2.gz VUNNNILYVXAVCD-MAUKXSAKSA-N 1 3 328.464 0.887 20 0 ECADHO CC(C)OC(=O)C1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000903953701 586828090 /nfs/dbraw/zinc/82/80/90/586828090.db2.gz JFQGYGNMBGYKQR-AWEZNQCLSA-N 1 3 325.453 0.847 20 0 ECADHO C[C@]1([C@@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)COC(=O)N1 ZINC000903986736 586829428 /nfs/dbraw/zinc/82/94/28/586829428.db2.gz QOUXILCADBCRHJ-JJRVBVJISA-N 1 3 338.452 0.394 20 0 ECADHO C[C@]1([C@@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)COC(=O)N1 ZINC000903986736 586829430 /nfs/dbraw/zinc/82/94/30/586829430.db2.gz QOUXILCADBCRHJ-JJRVBVJISA-N 1 3 338.452 0.394 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]2CC[C@@]21CN ZINC000904971420 586851769 /nfs/dbraw/zinc/85/17/69/586851769.db2.gz INABAPWGCJMHAH-CRAIPNDOSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)[C@H]1CN ZINC000904965069 586856608 /nfs/dbraw/zinc/85/66/08/586856608.db2.gz PSKUXYMFRWPUOI-KGLIPLIRSA-N 1 3 326.485 0.618 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@@H](O)CCC2(O)CCC2)C1 ZINC000905081567 586867262 /nfs/dbraw/zinc/86/72/62/586867262.db2.gz IDSQYOKOCLAUDD-GJZGRUSLSA-N 1 3 327.469 0.220 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@@H](O)CCC2(O)CCC2)C1 ZINC000905081567 586867263 /nfs/dbraw/zinc/86/72/63/586867263.db2.gz IDSQYOKOCLAUDD-GJZGRUSLSA-N 1 3 327.469 0.220 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000905927860 586922952 /nfs/dbraw/zinc/92/29/52/586922952.db2.gz VIKPVXDUAOMVNA-INIZCTEOSA-N 1 3 341.496 0.432 20 0 ECADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000906091968 586932119 /nfs/dbraw/zinc/93/21/19/586932119.db2.gz RGFHDDITLYZJCG-KFWWJZLASA-N 1 3 337.468 0.107 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906648460 586961033 /nfs/dbraw/zinc/96/10/33/586961033.db2.gz KYZXSSASJQQJTF-OAHLLOKOSA-N 1 3 348.447 0.653 20 0 ECADHO Cc1cc(NC(=O)C(=O)NCC2([NH3+])CC2)ccc1OCCN(C)C ZINC000906693079 586971323 /nfs/dbraw/zinc/97/13/23/586971323.db2.gz GTXUCAMORLRLKJ-UHFFFAOYSA-N 1 3 334.420 0.481 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906783152 586981289 /nfs/dbraw/zinc/98/12/89/586981289.db2.gz RUGXJOYTUJXJIC-KXBFYZLASA-N 1 3 344.459 0.988 20 0 ECADHO CS[C@@H]1CN(C(=O)C[C@]2(O)CCCN(C)C2)C[C@@H]1[NH+]1CCCC1 ZINC000907353026 587036828 /nfs/dbraw/zinc/03/68/28/587036828.db2.gz GSLZSLFROVCDOM-ZMSDIMECSA-N 1 3 341.521 0.871 20 0 ECADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000809739033 587182188 /nfs/dbraw/zinc/18/21/88/587182188.db2.gz UWPBWYBKFNWTQC-UHFFFAOYSA-N 1 3 330.432 0.778 20 0 ECADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000844171290 589098342 /nfs/dbraw/zinc/09/83/42/589098342.db2.gz OHDKUHZZEKSLBC-CVEARBPZSA-N 1 3 325.453 0.515 20 0 ECADHO C[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CCCCC1 ZINC000818646001 587442388 /nfs/dbraw/zinc/44/23/88/587442388.db2.gz HXQQVKLDUHRNCC-VNQPRFMTSA-N 1 3 334.468 0.731 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)c1cnn(C)c1 ZINC000820074370 587507313 /nfs/dbraw/zinc/50/73/13/587507313.db2.gz IEUDZFOSBSOBFV-ZFWWWQNUSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)c1cnn(C)c1 ZINC000820074370 587507314 /nfs/dbraw/zinc/50/73/14/587507314.db2.gz IEUDZFOSBSOBFV-ZFWWWQNUSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(O)CCOCC1 ZINC000820074942 587507428 /nfs/dbraw/zinc/50/74/28/587507428.db2.gz OTVNEFNFBOIGDW-AWEZNQCLSA-N 1 3 330.473 0.099 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(O)CCOCC1 ZINC000820074942 587507429 /nfs/dbraw/zinc/50/74/29/587507429.db2.gz OTVNEFNFBOIGDW-AWEZNQCLSA-N 1 3 330.473 0.099 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@](O)(C(F)F)C1 ZINC000820087068 587508359 /nfs/dbraw/zinc/50/83/59/587508359.db2.gz PPWLSGTUMDKKMN-SWLSCSKDSA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@](O)(C(F)F)C1 ZINC000820087068 587508360 /nfs/dbraw/zinc/50/83/60/587508360.db2.gz PPWLSGTUMDKKMN-SWLSCSKDSA-N 1 3 336.427 0.670 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Br)n(C)n1 ZINC000825720239 587957575 /nfs/dbraw/zinc/95/75/75/587957575.db2.gz CHUYRTPCISTSHX-UHFFFAOYSA-N 1 3 346.273 0.748 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)N[C@H]3CNCCC3(F)F)C2)C1 ZINC000846178826 589190365 /nfs/dbraw/zinc/19/03/65/589190365.db2.gz XLCUWKODTILQEJ-MQYQWHSLSA-N 1 3 346.422 0.912 20 0 ECADHO C[C@H]1CN(C(=[NH2+])NCc2cccc(C(=O)NCCN(C)C)c2)CCO1 ZINC000849094314 589319747 /nfs/dbraw/zinc/31/97/47/589319747.db2.gz FGICDCKCFRVNGH-AWEZNQCLSA-N 1 3 347.463 0.723 20 0 ECADHO C[C@H]1CN(CCCNC(=[NH2+])NCCCN2CCOCC2)CCCO1 ZINC000849103813 589320417 /nfs/dbraw/zinc/32/04/17/589320417.db2.gz BPYHHUXIYRFINJ-INIZCTEOSA-N 1 3 341.500 0.324 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000851690196 589415280 /nfs/dbraw/zinc/41/52/80/589415280.db2.gz BCJZYCFILHYLPU-IXDOHACOSA-N 1 3 344.459 0.540 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000852748448 589510461 /nfs/dbraw/zinc/51/04/61/589510461.db2.gz VXVUHJCTLBPCBX-GJZGRUSLSA-N 1 3 340.468 0.736 20 0 ECADHO NC[C@H]1CC(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)=NO1 ZINC000852864122 589519630 /nfs/dbraw/zinc/51/96/30/589519630.db2.gz WYISXNRNNNDXAX-JKSUJKDBSA-N 1 3 330.432 0.771 20 0 ECADHO NC[C@H]1CC(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)=NO1 ZINC000852864122 589519631 /nfs/dbraw/zinc/51/96/31/589519631.db2.gz WYISXNRNNNDXAX-JKSUJKDBSA-N 1 3 330.432 0.771 20 0 ECADHO C[NH+](C)CCCOc1ccc(CNC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000852866603 589519935 /nfs/dbraw/zinc/51/99/35/589519935.db2.gz ZPFLIDDXTJGLAC-OAHLLOKOSA-N 1 3 334.420 0.737 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852873089 589520787 /nfs/dbraw/zinc/52/07/87/589520787.db2.gz VVWLIUXVQGBYSD-HNNXBMFYSA-N 1 3 331.420 0.871 20 0 ECADHO C[C@H](NNCC1(N)CC[NH+](Cc2ccccc2)CC1)c1ncnn1C ZINC000852892380 589522811 /nfs/dbraw/zinc/52/28/11/589522811.db2.gz JSPGFODFACYSQB-HNNXBMFYSA-N 1 3 343.479 0.964 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(-n2cncn2)n1 ZINC000855345212 589627229 /nfs/dbraw/zinc/62/72/29/589627229.db2.gz OQIDDPZFPQSQLF-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(-n2cncn2)n1 ZINC000855345212 589627231 /nfs/dbraw/zinc/62/72/31/589627231.db2.gz OQIDDPZFPQSQLF-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO O=C(CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Nc1ccccc1 ZINC000866709408 589760790 /nfs/dbraw/zinc/76/07/90/589760790.db2.gz SGZKGCAWRGQSFQ-XHSDSOJGSA-N 1 3 344.415 0.882 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c2)CC1 ZINC000861541476 589861789 /nfs/dbraw/zinc/86/17/89/589861789.db2.gz CNMXDXZNESVETO-AWEZNQCLSA-N 1 3 347.463 0.573 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868230817 589882876 /nfs/dbraw/zinc/88/28/76/589882876.db2.gz PQARMFSFMMRLIN-JKSUJKDBSA-N 1 3 348.447 0.524 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000861748010 589886154 /nfs/dbraw/zinc/88/61/54/589886154.db2.gz KDEOFOJTRFEHMF-KGLIPLIRSA-N 1 3 347.463 0.529 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000861767663 589890122 /nfs/dbraw/zinc/89/01/22/589890122.db2.gz PXPALJRDMQHPRH-HNNXBMFYSA-N 1 3 338.496 0.955 20 0 ECADHO CNCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000868310473 589891620 /nfs/dbraw/zinc/89/16/20/589891620.db2.gz VOTFMXSBYBEJKB-HOCLYGCPSA-N 1 3 330.432 0.897 20 0 ECADHO CNCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000868310473 589891623 /nfs/dbraw/zinc/89/16/23/589891623.db2.gz VOTFMXSBYBEJKB-HOCLYGCPSA-N 1 3 330.432 0.897 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@H]21 ZINC000868388576 589900144 /nfs/dbraw/zinc/90/01/44/589900144.db2.gz JEENATKIXXDPBZ-DLBZAZTESA-N 1 3 344.459 0.527 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@H]21 ZINC000868388576 589900146 /nfs/dbraw/zinc/90/01/46/589900146.db2.gz JEENATKIXXDPBZ-DLBZAZTESA-N 1 3 344.459 0.527 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)C2)C1 ZINC000868417353 589904402 /nfs/dbraw/zinc/90/44/02/589904402.db2.gz DTDWXNAXAZBFSJ-MPGHIAIKSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000863558250 590023399 /nfs/dbraw/zinc/02/33/99/590023399.db2.gz YYJNWMRPMOLHDM-GJZGRUSLSA-N 1 3 343.468 0.669 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000863769329 590036904 /nfs/dbraw/zinc/03/69/04/590036904.db2.gz AEAIETYZBUZCEV-NVXWUHKLSA-N 1 3 346.475 0.567 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870878103 590037405 /nfs/dbraw/zinc/03/74/05/590037405.db2.gz BYDKGTRTJGLIKH-SWKXRBFHSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CCCCCC[NH3+])CC(=O)N1CCN(c2cnccn2)CC1 ZINC000872155849 590098906 /nfs/dbraw/zinc/09/89/06/590098906.db2.gz YJPICJJREXLNSL-UHFFFAOYSA-N 1 3 334.468 0.576 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872189611 590101131 /nfs/dbraw/zinc/10/11/31/590101131.db2.gz MSJHJFJQOJBSCF-WMLDXEAASA-N 1 3 334.464 0.141 20 0 ECADHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@H](O)CC(C)(C)O)c1 ZINC000872199239 590103928 /nfs/dbraw/zinc/10/39/28/590103928.db2.gz BFPKCZHIENPVTI-MRXNPFEDSA-N 1 3 337.464 0.590 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303090 590112514 /nfs/dbraw/zinc/11/25/14/590112514.db2.gz BOLBMZCDLBASRB-RYPNDVFKSA-N 1 3 336.436 0.253 20 0 ECADHO O=C(NCCN1CCCCC1)C(F)C(=O)NCC[NH+]1CCCCC1 ZINC000864880408 590114215 /nfs/dbraw/zinc/11/42/15/590114215.db2.gz WPTYWBSUBPUMBI-UHFFFAOYSA-N 1 3 342.459 0.529 20 0 ECADHO CC(C)[C@@H](CNC(=S)NCCC[NH+](C)C)N1CCN(C)CC1 ZINC000874068912 590219519 /nfs/dbraw/zinc/21/95/19/590219519.db2.gz PCGVFVBESKZVSV-OAHLLOKOSA-N 1 3 329.558 0.674 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)[NH+]1CCCCC1 ZINC000875106309 590271525 /nfs/dbraw/zinc/27/15/25/590271525.db2.gz DODSPZUQVQTNEW-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC[C@H]1CCOC1=O ZINC000876365237 590374556 /nfs/dbraw/zinc/37/45/56/590374556.db2.gz RSYQQAHEPUMEFE-AWEZNQCLSA-N 1 3 328.457 0.465 20 0 ECADHO COCCN(C)C[C@@H](O)CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206612 590376468 /nfs/dbraw/zinc/37/64/68/590376468.db2.gz HQXKRQWCMMTVMO-IAGOWNOFSA-N 1 3 329.485 0.159 20 0 ECADHO COCCN(C)C[C@H](O)CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206614 590376658 /nfs/dbraw/zinc/37/66/58/590376658.db2.gz HQXKRQWCMMTVMO-SJORKVTESA-N 1 3 329.485 0.159 20 0 ECADHO C[N@H+](C[C@@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1)C1CC1 ZINC000880253839 590379420 /nfs/dbraw/zinc/37/94/20/590379420.db2.gz FLQAZWQHIICXNG-MRXNPFEDSA-N 1 3 338.496 0.247 20 0 ECADHO C[N@@H+](C[C@@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1)C1CC1 ZINC000880253839 590379423 /nfs/dbraw/zinc/37/94/23/590379423.db2.gz FLQAZWQHIICXNG-MRXNPFEDSA-N 1 3 338.496 0.247 20 0 ECADHO [NH3+]C[C@@]1(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CCCOC1 ZINC000876719980 590403504 /nfs/dbraw/zinc/40/35/04/590403504.db2.gz XVOVBJAPQAQCBB-WBVHZDCISA-N 1 3 325.453 0.502 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876748371 590408052 /nfs/dbraw/zinc/40/80/52/590408052.db2.gz CLBIRXORIFOHLR-RKVPGOIHSA-N 1 3 336.480 0.578 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876752004 590408995 /nfs/dbraw/zinc/40/89/95/590408995.db2.gz DGDYZHXCKRBMCQ-KXPUMZMLSA-N 1 3 336.480 0.555 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876879509 590421862 /nfs/dbraw/zinc/42/18/62/590421862.db2.gz BIBYGWJKPWEXOZ-LLYBFZRZSA-N 1 3 337.464 0.934 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876962035 590430225 /nfs/dbraw/zinc/43/02/25/590430225.db2.gz YRAQFGYPKMWHIK-ULQDDVLXSA-N 1 3 335.423 0.817 20 0 ECADHO COc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n(C)n1 ZINC000881238733 590441992 /nfs/dbraw/zinc/44/19/92/590441992.db2.gz JAFXROGTFOBFLJ-LBPRGKRZSA-N 1 3 326.445 0.822 20 0 ECADHO COc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n(C)n1 ZINC000881238733 590441994 /nfs/dbraw/zinc/44/19/94/590441994.db2.gz JAFXROGTFOBFLJ-LBPRGKRZSA-N 1 3 326.445 0.822 20 0 ECADHO CN(CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)CC(C)(C)C ZINC000877260118 590451024 /nfs/dbraw/zinc/45/10/24/590451024.db2.gz RUEVKPHZZQNCPV-MJBXVCDLSA-N 1 3 338.452 0.358 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000877339972 590458867 /nfs/dbraw/zinc/45/88/67/590458867.db2.gz DNSYSBQDGGEKGP-JKSUJKDBSA-N 1 3 340.431 0.647 20 0 ECADHO C[S@](=O)C1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000877339398 590459106 /nfs/dbraw/zinc/45/91/06/590459106.db2.gz ZFHNQGIQJCDKQI-WNSKOXEYSA-N 1 3 335.473 0.318 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)NC2CCN(C)CC2)C1 ZINC000878158682 590502462 /nfs/dbraw/zinc/50/24/62/590502462.db2.gz LDIGAXHCYIHZNZ-QGZVFWFLSA-N 1 3 340.512 0.630 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC000883639716 590637422 /nfs/dbraw/zinc/63/74/22/590637422.db2.gz XBRYTZQZVZBDGS-HUUCEWRRSA-N 1 3 345.447 0.187 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC000883639714 590637611 /nfs/dbraw/zinc/63/76/11/590637611.db2.gz XBRYTZQZVZBDGS-CABCVRRESA-N 1 3 345.447 0.187 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000883642005 590639001 /nfs/dbraw/zinc/63/90/01/590639001.db2.gz AWXRPCFRODSAGS-HZSPNIEDSA-N 1 3 331.420 0.067 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884889422 590643721 /nfs/dbraw/zinc/64/37/21/590643721.db2.gz GLBFKPQCAUFAJW-DLBZAZTESA-N 1 3 346.475 0.663 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884913582 590647764 /nfs/dbraw/zinc/64/77/64/590647764.db2.gz YAQPOMXJCMQODP-SHTZXODSSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000885014806 590669617 /nfs/dbraw/zinc/66/96/17/590669617.db2.gz PCDDKGPXQLSUNN-YYIAUSFCSA-N 1 3 348.491 0.720 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCCC(C)(C)[NH3+])o1 ZINC000885206863 590695482 /nfs/dbraw/zinc/69/54/82/590695482.db2.gz QSUCVWIYRUBZJI-UHFFFAOYSA-N 1 3 338.452 0.722 20 0 ECADHO CC1CCN(CCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884188543 590766964 /nfs/dbraw/zinc/76/69/64/590766964.db2.gz JQSJMORZGHMTFG-UHFFFAOYSA-N 1 3 331.464 0.953 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884188427 590767381 /nfs/dbraw/zinc/76/73/81/590767381.db2.gz HUVWTSJSMMWILL-UHFFFAOYSA-N 1 3 347.463 0.068 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884232971 590784107 /nfs/dbraw/zinc/78/41/07/590784107.db2.gz FCEONMHBUMOVNU-XJKSGUPXSA-N 1 3 329.448 0.704 20 0 ECADHO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884378759 590816447 /nfs/dbraw/zinc/81/64/47/590816447.db2.gz CGDABIHLRORSJS-UHFFFAOYSA-N 1 3 329.448 0.835 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000884502341 590844890 /nfs/dbraw/zinc/84/48/90/590844890.db2.gz HTLMOEGRXUQAEI-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884577749 590862211 /nfs/dbraw/zinc/86/22/11/590862211.db2.gz LMWKBPDYWIGWLL-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCNCCC12CCC2 ZINC000884626552 590875937 /nfs/dbraw/zinc/87/59/37/590875937.db2.gz OOHNHMTYRWDUCB-GJZGRUSLSA-N 1 3 334.464 0.474 20 0 ECADHO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCNCCC12CCC2 ZINC000884626552 590875941 /nfs/dbraw/zinc/87/59/41/590875941.db2.gz OOHNHMTYRWDUCB-GJZGRUSLSA-N 1 3 334.464 0.474 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCN1c1ccncc1 ZINC000884683128 590892514 /nfs/dbraw/zinc/89/25/14/590892514.db2.gz VRMFRUXCSXFKNH-HUUCEWRRSA-N 1 3 345.447 0.377 20 0 ECADHO C[NH+](C)C1(C)CCC(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000884709837 590904419 /nfs/dbraw/zinc/90/44/19/590904419.db2.gz QRJVBOATMNFSEQ-CSLYMUCUSA-N 1 3 338.496 0.999 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)CC[NH2+]1 ZINC000884718662 590907805 /nfs/dbraw/zinc/90/78/05/590907805.db2.gz LXDBXOWWXLCJBA-QLFBSQMISA-N 1 3 345.447 0.375 20 0 ECADHO CCN(C(=O)C(=O)Nc1ccccc1CCN(C)C)[C@@H]1CC[NH2+]C1 ZINC000887004542 590918408 /nfs/dbraw/zinc/91/84/08/590918408.db2.gz QERSCDQQTSAZIY-OAHLLOKOSA-N 1 3 332.448 0.940 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCCN3CCCC[C@H]13)C2 ZINC000884776193 590918868 /nfs/dbraw/zinc/91/88/68/590918868.db2.gz OUASUTSIHCEGEK-OIPACUDHSA-N 1 3 334.464 0.187 20 0 ECADHO CCN(C(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000887070034 590937987 /nfs/dbraw/zinc/93/79/87/590937987.db2.gz CNXZUXGGYRWYSW-HOCLYGCPSA-N 1 3 345.447 0.329 20 0 ECADHO CC(C)[NH+](CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C(C)C ZINC000887598852 590979535 /nfs/dbraw/zinc/97/95/35/590979535.db2.gz KCGZJEBCRSNOBP-OAHLLOKOSA-N 1 3 341.500 0.867 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)NCCN1CCC(C)(C)C1)C1CCCC1 ZINC000929995727 611378209 /nfs/dbraw/zinc/37/82/09/611378209.db2.gz AERHWYPEVVMSJI-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)NCCN1CCC(C)(C)C1)C1CCCC1 ZINC000929995727 611378212 /nfs/dbraw/zinc/37/82/12/611378212.db2.gz AERHWYPEVVMSJI-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642689 611383424 /nfs/dbraw/zinc/38/34/24/611383424.db2.gz PQHUTZGZSNCXCM-YYIAUSFCSA-N 1 3 348.491 0.659 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642689 611383426 /nfs/dbraw/zinc/38/34/26/611383426.db2.gz PQHUTZGZSNCXCM-YYIAUSFCSA-N 1 3 348.491 0.659 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946663056 611400428 /nfs/dbraw/zinc/40/04/28/611400428.db2.gz YVMROGONLSKFNB-GASCZTMLSA-N 1 3 334.464 0.271 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000925329933 611470059 /nfs/dbraw/zinc/47/00/59/611470059.db2.gz PZYKBCNLJOZMMS-RBSFLKMASA-N 1 3 337.468 0.027 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000925329933 611470062 /nfs/dbraw/zinc/47/00/62/611470062.db2.gz PZYKBCNLJOZMMS-RBSFLKMASA-N 1 3 337.468 0.027 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1=O ZINC000925344277 611472804 /nfs/dbraw/zinc/47/28/04/611472804.db2.gz SJSMORLRHYMQEB-ZNMIVQPWSA-N 1 3 338.452 0.236 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925343631 611472867 /nfs/dbraw/zinc/47/28/67/611472867.db2.gz WNKPODYMUHVUOV-GJZGRUSLSA-N 1 3 325.501 0.794 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925343631 611472868 /nfs/dbraw/zinc/47/28/68/611472868.db2.gz WNKPODYMUHVUOV-GJZGRUSLSA-N 1 3 325.501 0.794 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)CC1 ZINC000930918280 611482967 /nfs/dbraw/zinc/48/29/67/611482967.db2.gz NUFJKYOXUAVBLR-IIAWOOMASA-N 1 3 338.496 0.950 20 0 ECADHO O=S1(=O)CCC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925808550 611502822 /nfs/dbraw/zinc/50/28/22/611502822.db2.gz MEWRQAUPNINSJH-KRWDZBQOSA-N 1 3 337.489 0.759 20 0 ECADHO CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817302 611503376 /nfs/dbraw/zinc/50/33/76/611503376.db2.gz OMJDJXDAAAXMIP-QZTJIDSGSA-N 1 3 346.475 0.475 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926358845 611541284 /nfs/dbraw/zinc/54/12/84/611541284.db2.gz AUWGCDPQDKOZTJ-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000926378867 611544067 /nfs/dbraw/zinc/54/40/67/611544067.db2.gz DGGMKRCHMXEUFB-MAUKXSAKSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[C@H](C(=O)N1CCOC2(CC[NH+](C[C@H](C)O)CC2)C1)N(C)C ZINC000949182711 608640825 /nfs/dbraw/zinc/64/08/25/608640825.db2.gz YBMHEWZHSKGNHF-JKSUJKDBSA-N 1 3 341.496 0.647 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000927884497 611651120 /nfs/dbraw/zinc/65/11/20/611651120.db2.gz WTQJMYRKANOACX-ZDUSSCGKSA-N 1 3 348.447 0.893 20 0 ECADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000936904112 608722256 /nfs/dbraw/zinc/72/22/56/608722256.db2.gz FCWUCDSZRNWQDR-HOTGVXAUSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC000947522407 608856524 /nfs/dbraw/zinc/85/65/24/608856524.db2.gz MJLDEDSTXIENAD-BMFZPTHFSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC000947522407 608856526 /nfs/dbraw/zinc/85/65/26/608856526.db2.gz MJLDEDSTXIENAD-BMFZPTHFSA-N 1 3 338.496 0.774 20 0 ECADHO CN1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000900192188 609526771 /nfs/dbraw/zinc/52/67/71/609526771.db2.gz LJOAWMJRLBZWPU-MJGOQNOKSA-N 1 3 346.475 0.828 20 0 ECADHO CN1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000900192188 609526774 /nfs/dbraw/zinc/52/67/74/609526774.db2.gz LJOAWMJRLBZWPU-MJGOQNOKSA-N 1 3 346.475 0.828 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)Cc1ccccc1 ZINC000910963492 609783857 /nfs/dbraw/zinc/78/38/57/609783857.db2.gz RZIDZHHNKYXKAY-WCXIOVBPSA-N 1 3 344.459 0.285 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])N1CCC(C)CC1 ZINC000911089889 609807880 /nfs/dbraw/zinc/80/78/80/609807880.db2.gz GIXPUUCTZSDRRH-RVKKMQEKSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CN1C1CC1 ZINC000911145962 609814697 /nfs/dbraw/zinc/81/46/97/609814697.db2.gz IQNALILAPJLNCB-OUENDJJVSA-N 1 3 342.443 0.469 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000911161565 609817618 /nfs/dbraw/zinc/81/76/18/609817618.db2.gz LWSHUGVMMCBVSW-RKVPGOIHSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C1=CC[N@H+](C)CC1 ZINC000911218814 609828063 /nfs/dbraw/zinc/82/80/63/609828063.db2.gz LNIJGUJBPIKNLV-JCURWCKSSA-N 1 3 342.443 0.494 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C1=CC[N@@H+](C)CC1 ZINC000911218814 609828065 /nfs/dbraw/zinc/82/80/65/609828065.db2.gz LNIJGUJBPIKNLV-JCURWCKSSA-N 1 3 342.443 0.494 20 0 ECADHO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000911324680 609847658 /nfs/dbraw/zinc/84/76/58/609847658.db2.gz JBVIJWQWVWIBCR-YIOZNXECSA-N 1 3 348.491 0.768 20 0 ECADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000911492458 609883325 /nfs/dbraw/zinc/88/33/25/609883325.db2.gz DDJGNOZOPRRKSR-LSDHHAIUSA-N 1 3 336.480 0.707 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911504962 609885023 /nfs/dbraw/zinc/88/50/23/609885023.db2.gz PWTDAQVMLZPVBU-HNNXBMFYSA-N 1 3 330.432 0.327 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000911532466 609886484 /nfs/dbraw/zinc/88/64/84/609886484.db2.gz LVEVLLMGCLWSMG-KBXCAEBGSA-N 1 3 336.480 0.564 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000938768877 609985286 /nfs/dbraw/zinc/98/52/86/609985286.db2.gz PYEAEYVOQWRTAH-HZPDHXFCSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000939210731 610115955 /nfs/dbraw/zinc/11/59/55/610115955.db2.gz OYQJNHYPBYMXKZ-BXUZGUMPSA-N 1 3 336.827 0.939 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)n1 ZINC000939214259 610121189 /nfs/dbraw/zinc/12/11/89/610121189.db2.gz KEONDVBFFHOUCI-IAQYHMDHSA-N 1 3 331.424 0.297 20 0 ECADHO O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941414365 610303147 /nfs/dbraw/zinc/30/31/47/610303147.db2.gz RSBRIUULLCXLIL-SJLPKXTDSA-N 1 3 348.491 0.088 20 0 ECADHO O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941414365 610303150 /nfs/dbraw/zinc/30/31/50/610303150.db2.gz RSBRIUULLCXLIL-SJLPKXTDSA-N 1 3 348.491 0.088 20 0 ECADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941641208 610435089 /nfs/dbraw/zinc/43/50/89/610435089.db2.gz ZMUUTNFHQGOFHV-MRXNPFEDSA-N 1 3 334.508 0.957 20 0 ECADHO CC1CC(CN2CC(N3CCN(C(=O)[C@H]4CC[N@H+](C)C4)CC3)C2)C1 ZINC000941665073 610456004 /nfs/dbraw/zinc/45/60/04/610456004.db2.gz BEKHZYJRYUEMBS-JCYILVPMSA-N 1 3 334.508 0.813 20 0 ECADHO CC1CC(CN2CC(N3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)CC3)C2)C1 ZINC000941665073 610456006 /nfs/dbraw/zinc/45/60/06/610456006.db2.gz BEKHZYJRYUEMBS-JCYILVPMSA-N 1 3 334.508 0.813 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC000944266035 610813200 /nfs/dbraw/zinc/81/32/00/610813200.db2.gz CRPRTCBRYRPHKO-ARFHVFGLSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000944266035 610813202 /nfs/dbraw/zinc/81/32/02/610813202.db2.gz CRPRTCBRYRPHKO-ARFHVFGLSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000944295395 610815461 /nfs/dbraw/zinc/81/54/61/610815461.db2.gz MLXRZVUTYIKDRO-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH+](C)C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000923010013 611192179 /nfs/dbraw/zinc/19/21/79/611192179.db2.gz IQTWLPZNBBOYSL-UHFFFAOYSA-N 1 3 337.468 0.030 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C2OCCO2)C1 ZINC000923200917 611214128 /nfs/dbraw/zinc/21/41/28/611214128.db2.gz GLHOJVIVPZUQFK-LSDHHAIUSA-N 1 3 342.484 0.663 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C2OCCO2)C1 ZINC000923200917 611214129 /nfs/dbraw/zinc/21/41/29/611214129.db2.gz GLHOJVIVPZUQFK-LSDHHAIUSA-N 1 3 342.484 0.663 20 0 ECADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000923518137 611254356 /nfs/dbraw/zinc/25/43/56/611254356.db2.gz VCHNEGZMWALQPN-JKSUJKDBSA-N 1 3 344.463 0.057 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)C2CNC2)cc1F ZINC000923654735 611336787 /nfs/dbraw/zinc/33/67/87/611336787.db2.gz LAEMAQJYKUMSHZ-JSGCOSHPSA-N 1 3 343.424 0.171 20 0 ECADHO Cc1ncccc1CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000934143008 611773355 /nfs/dbraw/zinc/77/33/55/611773355.db2.gz UMOYLDPZKKKPRP-UHFFFAOYSA-N 1 3 349.479 0.001 20 0 ECADHO CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CN3CCC[C@H]3CO1)CCO2 ZINC000949095198 611852331 /nfs/dbraw/zinc/85/23/31/611852331.db2.gz AGXGNVKAMWGDRV-JKSUJKDBSA-N 1 3 337.464 0.563 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000950785996 611908607 /nfs/dbraw/zinc/90/86/07/611908607.db2.gz MDCNJUWWYRTPFH-OAHLLOKOSA-N 1 3 345.447 0.545 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951241603 612098971 /nfs/dbraw/zinc/09/89/71/612098971.db2.gz RUGBYRVMEOFPNZ-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952149822 612249388 /nfs/dbraw/zinc/24/93/88/612249388.db2.gz ZHFFIURRJZLODM-KBPBESRZSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952149822 612249389 /nfs/dbraw/zinc/24/93/89/612249389.db2.gz ZHFFIURRJZLODM-KBPBESRZSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000955342515 612468099 /nfs/dbraw/zinc/46/80/99/612468099.db2.gz XRXAZPIOKOYRNC-CABCVRRESA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000955342515 612468104 /nfs/dbraw/zinc/46/81/04/612468104.db2.gz XRXAZPIOKOYRNC-CABCVRRESA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)[C@@H]1CCCCN1C)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000954707604 612576485 /nfs/dbraw/zinc/57/64/85/612576485.db2.gz XDTRUNLUIXLAOP-HOTGVXAUSA-N 1 3 336.480 0.480 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000956021433 612620444 /nfs/dbraw/zinc/62/04/44/612620444.db2.gz CQWMINGXXXTBJG-HNNXBMFYSA-N 1 3 334.464 0.285 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC000956114083 612719933 /nfs/dbraw/zinc/71/99/33/612719933.db2.gz UGVIUYNQWYNKGO-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000954323357 612853479 /nfs/dbraw/zinc/85/34/79/612853479.db2.gz BFIVEEWAUJYJFB-JKSUJKDBSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000954323357 612853483 /nfs/dbraw/zinc/85/34/83/612853483.db2.gz BFIVEEWAUJYJFB-JKSUJKDBSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)Cc3c[nH]cn3)CC2)CC[N@@H+]1C ZINC000955011599 612853683 /nfs/dbraw/zinc/85/36/83/612853683.db2.gz IUZSNAYFBGQZCN-CZUORRHYSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)Cc3c[nH]cn3)CC2)CC[N@H+]1C ZINC000955011599 612853685 /nfs/dbraw/zinc/85/36/85/612853685.db2.gz IUZSNAYFBGQZCN-CZUORRHYSA-N 1 3 347.463 0.742 20 0 ECADHO CN([C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)[C@@H]1CCNC1=O ZINC000971872448 735290671 /nfs/dbraw/zinc/29/06/71/735290671.db2.gz PXQLZBGHBQXJMU-UKRRQHHQSA-N 1 3 327.388 0.369 20 0 ECADHO CN1CC[C@H](N2CC[C@]3(CCN(C(=O)C45CC[NH+](CC4)C5)C3)C2)C1=O ZINC001041788320 782210443 /nfs/dbraw/zinc/21/04/43/782210443.db2.gz BSAJPDKBLAPLBZ-YJBOKZPZSA-N 1 3 346.475 0.237 20 0 ECADHO O=C(CN1CCCC1)N1CCC([N@H+](CCO)Cc2ccccn2)CC1 ZINC001098561426 735505535 /nfs/dbraw/zinc/50/55/35/735505535.db2.gz CBRRRJUQQPTVHZ-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO O=C(CN1CCCC1)N1CCC([N@@H+](CCO)Cc2ccccn2)CC1 ZINC001098561426 735505537 /nfs/dbraw/zinc/50/55/37/735505537.db2.gz CBRRRJUQQPTVHZ-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001024982741 738459042 /nfs/dbraw/zinc/45/90/42/738459042.db2.gz AEXQUDKHWDLHKQ-HZPDHXFCSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H]([NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1)C(N)=O ZINC001167045978 731479641 /nfs/dbraw/zinc/47/96/41/731479641.db2.gz XGHOEDBSDMFAJU-UONOGXRCSA-N 1 3 326.485 0.713 20 0 ECADHO Cn1nccc1CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969458745 731907720 /nfs/dbraw/zinc/90/77/20/731907720.db2.gz YCGGZYRDZATXSG-NVXWUHKLSA-N 1 3 331.464 0.985 20 0 ECADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)N1CCCCC1 ZINC000969588135 731987662 /nfs/dbraw/zinc/98/76/62/731987662.db2.gz CTSOXFVHHYVRDP-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1CN(CCCF)C1 ZINC000969686480 732048114 /nfs/dbraw/zinc/04/81/14/732048114.db2.gz FEQDNMVMPYISMF-ZDUSSCGKSA-N 1 3 325.432 0.854 20 0 ECADHO C[C@@H](N[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1)C(N)=O ZINC000969965116 732563230 /nfs/dbraw/zinc/56/32/30/732563230.db2.gz LVYSYLHXNVPSQI-CZUORRHYSA-N 1 3 332.448 0.469 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1)N(C)C ZINC000969991018 732597712 /nfs/dbraw/zinc/59/77/12/732597712.db2.gz CPPFOOLWYFHNCI-CVEARBPZSA-N 1 3 332.448 0.816 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001167224955 733068107 /nfs/dbraw/zinc/06/81/07/733068107.db2.gz OZCXOQSQMLVCNA-OAHLLOKOSA-N 1 3 327.469 0.356 20 0 ECADHO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240966 733088194 /nfs/dbraw/zinc/08/81/94/733088194.db2.gz XOBRPTIDGIBYAX-HNNXBMFYSA-N 1 3 343.512 0.848 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCc3ccnn3C)C2)CC1 ZINC000970333862 733376266 /nfs/dbraw/zinc/37/62/66/733376266.db2.gz BGTCWUHCKHCVLM-MRXNPFEDSA-N 1 3 333.480 0.885 20 0 ECADHO Cc1nc(CNC[C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001025138247 738708144 /nfs/dbraw/zinc/70/81/44/738708144.db2.gz LOQYZZPCXAQARA-LSDHHAIUSA-N 1 3 334.468 0.926 20 0 ECADHO Cc1nc(CNC[C@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001025138247 738708145 /nfs/dbraw/zinc/70/81/45/738708145.db2.gz LOQYZZPCXAQARA-LSDHHAIUSA-N 1 3 334.468 0.926 20 0 ECADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCOCCO)CCCCC1)N(C)C ZINC001115581911 733851304 /nfs/dbraw/zinc/85/13/04/733851304.db2.gz BOJCKZCHNGJBGB-INIZCTEOSA-N 1 3 343.512 0.990 20 0 ECADHO CNC(=O)c1cccc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000970715113 733864310 /nfs/dbraw/zinc/86/43/10/733864310.db2.gz PAZZRYWVYCWCKS-DLBZAZTESA-N 1 3 344.459 0.688 20 0 ECADHO CNC(=O)c1cccc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000970715113 733864314 /nfs/dbraw/zinc/86/43/14/733864314.db2.gz PAZZRYWVYCWCKS-DLBZAZTESA-N 1 3 344.459 0.688 20 0 ECADHO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000970796299 733947701 /nfs/dbraw/zinc/94/77/01/733947701.db2.gz MZNFFSKHFYCHME-ZBFHGGJFSA-N 1 3 330.432 0.441 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970796299 733947704 /nfs/dbraw/zinc/94/77/04/733947704.db2.gz MZNFFSKHFYCHME-ZBFHGGJFSA-N 1 3 330.432 0.441 20 0 ECADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294404 734016494 /nfs/dbraw/zinc/01/64/94/734016494.db2.gz NYAYEFWNEUYPRN-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(CCCN2CCCC2=O)C1 ZINC000970879087 734037600 /nfs/dbraw/zinc/03/76/00/734037600.db2.gz RMZCOFPROCXMHN-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CCCN2CCCC2=O)C1 ZINC000970879087 734037604 /nfs/dbraw/zinc/03/76/04/734037604.db2.gz RMZCOFPROCXMHN-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1)C1CC1 ZINC000971676882 734940915 /nfs/dbraw/zinc/94/09/15/734940915.db2.gz IFYAGFDFEVEKEK-SJORKVTESA-N 1 3 333.480 0.836 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1)C1CC1 ZINC000971676882 734940919 /nfs/dbraw/zinc/94/09/19/734940919.db2.gz IFYAGFDFEVEKEK-SJORKVTESA-N 1 3 333.480 0.836 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC000972189589 735768025 /nfs/dbraw/zinc/76/80/25/735768025.db2.gz SFYCNBGKWJXRDI-GJZGRUSLSA-N 1 3 348.447 0.766 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC000972189589 735768026 /nfs/dbraw/zinc/76/80/26/735768026.db2.gz SFYCNBGKWJXRDI-GJZGRUSLSA-N 1 3 348.447 0.766 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001114991613 736081687 /nfs/dbraw/zinc/08/16/87/736081687.db2.gz GFKMLNPOVFLBHM-HWWDLCQESA-N 1 3 332.448 0.274 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001114991613 736081694 /nfs/dbraw/zinc/08/16/94/736081694.db2.gz GFKMLNPOVFLBHM-HWWDLCQESA-N 1 3 332.448 0.274 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001167627026 736152168 /nfs/dbraw/zinc/15/21/68/736152168.db2.gz JAIHSRYEFGTWNV-CVEARBPZSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001167627076 736152565 /nfs/dbraw/zinc/15/25/65/736152565.db2.gz KANWHCYVTZEUDP-KBPBESRZSA-N 1 3 338.452 0.150 20 0 ECADHO C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001087236717 736491508 /nfs/dbraw/zinc/49/15/08/736491508.db2.gz IMSBZOSKNHGSMI-QLFBSQMISA-N 1 3 334.464 0.187 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001067461625 736875680 /nfs/dbraw/zinc/87/56/80/736875680.db2.gz GMCOONAQOLNEKW-OAHLLOKOSA-N 1 3 326.485 0.587 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067461625 736875684 /nfs/dbraw/zinc/87/56/84/736875684.db2.gz GMCOONAQOLNEKW-OAHLLOKOSA-N 1 3 326.485 0.587 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)CC1 ZINC000972651131 737256591 /nfs/dbraw/zinc/25/65/91/737256591.db2.gz NSLJPHWREKZFTR-QGZVFWFLSA-N 1 3 348.495 0.931 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(CCN3CCCC3=O)C2)C1 ZINC001023750288 737296268 /nfs/dbraw/zinc/29/62/68/737296268.db2.gz JSUSWDBXKVZPEQ-JKSUJKDBSA-N 1 3 336.480 0.389 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(CCN3CCCC3=O)C2)C1 ZINC001023750288 737296274 /nfs/dbraw/zinc/29/62/74/737296274.db2.gz JSUSWDBXKVZPEQ-JKSUJKDBSA-N 1 3 336.480 0.389 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001023762122 737326327 /nfs/dbraw/zinc/32/63/27/737326327.db2.gz ROIRGFQVAZYCRW-SJORKVTESA-N 1 3 348.495 0.981 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001023762122 737326335 /nfs/dbraw/zinc/32/63/35/737326335.db2.gz ROIRGFQVAZYCRW-SJORKVTESA-N 1 3 348.495 0.981 20 0 ECADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)[nH]1 ZINC001023987039 737584447 /nfs/dbraw/zinc/58/44/47/737584447.db2.gz NPHZSEJIUFSAOK-ZBFHGGJFSA-N 1 3 346.479 0.783 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNCc3cn(C)nn3)C2)C1 ZINC001024156494 737783618 /nfs/dbraw/zinc/78/36/18/737783618.db2.gz OWRLPOUPZHEAJG-LSDHHAIUSA-N 1 3 334.468 0.485 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNCc3cn(C)nn3)C2)C1 ZINC001024156494 737783620 /nfs/dbraw/zinc/78/36/20/737783620.db2.gz OWRLPOUPZHEAJG-LSDHHAIUSA-N 1 3 334.468 0.485 20 0 ECADHO COc1cc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001024263288 737870376 /nfs/dbraw/zinc/87/03/76/737870376.db2.gz BYKNNNLCMZOMKU-UONOGXRCSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001024263288 737870380 /nfs/dbraw/zinc/87/03/80/737870380.db2.gz BYKNNNLCMZOMKU-UONOGXRCSA-N 1 3 336.436 0.963 20 0 ECADHO CN(CC(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1)CC(C)(C)C ZINC001100681914 738086046 /nfs/dbraw/zinc/08/60/46/738086046.db2.gz YBYRIQYSBHGGAV-UHFFFAOYSA-N 1 3 347.525 0.493 20 0 ECADHO Cn1cc(CCN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001024800425 738305857 /nfs/dbraw/zinc/30/58/57/738305857.db2.gz FERQTWORUANPHH-DLBZAZTESA-N 1 3 333.480 0.885 20 0 ECADHO Cn1cc(CCN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001024800425 738305861 /nfs/dbraw/zinc/30/58/61/738305861.db2.gz FERQTWORUANPHH-DLBZAZTESA-N 1 3 333.480 0.885 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006454555 751401848 /nfs/dbraw/zinc/40/18/48/751401848.db2.gz BXRVUFGDFZBCHK-GFCCVEGCSA-N 1 3 331.420 0.011 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001025778835 739937152 /nfs/dbraw/zinc/93/71/52/739937152.db2.gz IUBAUGOIGOXODO-JKJDWNRSSA-N 1 3 334.464 0.136 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001025778835 739937154 /nfs/dbraw/zinc/93/71/54/739937154.db2.gz IUBAUGOIGOXODO-JKJDWNRSSA-N 1 3 334.464 0.136 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025780042 739937990 /nfs/dbraw/zinc/93/79/90/739937990.db2.gz MYALIPFEHVPEGB-BQJWPVKWSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025780042 739937995 /nfs/dbraw/zinc/93/79/95/739937995.db2.gz MYALIPFEHVPEGB-BQJWPVKWSA-N 1 3 348.491 0.526 20 0 ECADHO CCOC(=O)c1cc2c(ncnc2NC(=N)NCCCC[NH3+])s1 ZINC001167877605 751504843 /nfs/dbraw/zinc/50/48/43/751504843.db2.gz GPMBXMJGWTZUIU-UHFFFAOYSA-N 1 3 336.421 0.965 20 0 ECADHO CCc1c(Cl)nc(S(C)(=O)=O)nc1NC(=N)NCCCC[NH3+] ZINC001167878899 751512914 /nfs/dbraw/zinc/51/29/14/751512914.db2.gz UWEBZMZZUKSPLE-UHFFFAOYSA-N 1 3 348.860 0.771 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001026043295 740334710 /nfs/dbraw/zinc/33/47/10/740334710.db2.gz JPLIPDQHVUWPAO-CGSPGFDNSA-N 1 3 344.463 0.296 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001026043295 740334714 /nfs/dbraw/zinc/33/47/14/740334714.db2.gz JPLIPDQHVUWPAO-CGSPGFDNSA-N 1 3 344.463 0.296 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001026148888 740424094 /nfs/dbraw/zinc/42/40/94/740424094.db2.gz BNIGTOTXEKYYPZ-RMWBKXBUSA-N 1 3 348.491 0.528 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C)N(C)C ZINC001020416246 751567284 /nfs/dbraw/zinc/56/72/84/751567284.db2.gz IBDCIWZLVHRLHQ-KKUMJFAQSA-N 1 3 336.480 0.528 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)[C@@H]2C1)C1CCC1 ZINC001026283174 740741355 /nfs/dbraw/zinc/74/13/55/740741355.db2.gz DAROJNNAXNVYGC-USXIJHARSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(=O)N4CCC4)[C@@H]3C2)CCC1 ZINC001026285426 740747228 /nfs/dbraw/zinc/74/72/28/740747228.db2.gz ZVSIREURSGTXOC-XHSDSOJGSA-N 1 3 348.491 0.530 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001104937802 740976349 /nfs/dbraw/zinc/97/63/49/740976349.db2.gz HXBSKTHKQYPCST-OAGGEKHMSA-N 1 3 338.496 0.681 20 0 ECADHO Cn1ncc(CN[C@@H]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]23)n1 ZINC001026400410 741234625 /nfs/dbraw/zinc/23/46/25/741234625.db2.gz JHAVZIZMZNXANU-FVQBIDKESA-N 1 3 344.463 0.238 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)[C@H]1CCCN1C ZINC000988148886 751618843 /nfs/dbraw/zinc/61/88/43/751618843.db2.gz TVPUZKRSUKSBCW-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243708 741542762 /nfs/dbraw/zinc/54/27/62/741542762.db2.gz GWECWLOPUKTBGV-CZUORRHYSA-N 1 3 334.468 0.891 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243708 741542766 /nfs/dbraw/zinc/54/27/66/741542766.db2.gz GWECWLOPUKTBGV-CZUORRHYSA-N 1 3 334.468 0.891 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC001026598610 741596337 /nfs/dbraw/zinc/59/63/37/741596337.db2.gz PQOPCZUGCUAHEU-UHFFFAOYSA-N 1 3 347.463 0.900 20 0 ECADHO COc1ccc(CNC2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001026605601 741606511 /nfs/dbraw/zinc/60/65/11/741606511.db2.gz VEGMMBVFZDYGOP-NFOMZHRRSA-N 1 3 347.463 0.954 20 0 ECADHO COc1ccc(CNC2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001026605601 741606514 /nfs/dbraw/zinc/60/65/14/741606514.db2.gz VEGMMBVFZDYGOP-NFOMZHRRSA-N 1 3 347.463 0.954 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901297 742051288 /nfs/dbraw/zinc/05/12/88/742051288.db2.gz MPANYLBHECYBDB-HOCLYGCPSA-N 1 3 336.484 0.822 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)on1 ZINC001027065190 742436007 /nfs/dbraw/zinc/43/60/07/742436007.db2.gz SIQLPDZLFFCKLK-KGLIPLIRSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)on1 ZINC001027065190 742436009 /nfs/dbraw/zinc/43/60/09/742436009.db2.gz SIQLPDZLFFCKLK-KGLIPLIRSA-N 1 3 336.436 0.963 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC000975201233 742594304 /nfs/dbraw/zinc/59/43/04/742594304.db2.gz AJWZDJMWASCKJK-BRWVUGGUSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC000975201233 742594308 /nfs/dbraw/zinc/59/43/08/742594308.db2.gz AJWZDJMWASCKJK-BRWVUGGUSA-N 1 3 348.491 0.483 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001027172960 743003492 /nfs/dbraw/zinc/00/34/92/743003492.db2.gz INZCMJHAQLJESN-AWEZNQCLSA-N 1 3 332.452 0.332 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC(=O)N3CCCC3)CC2)C1 ZINC000997007047 743120769 /nfs/dbraw/zinc/12/07/69/743120769.db2.gz OCRUUJPZNFGCTO-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(OC)nn2)CC1)N(C)C ZINC000997009207 743124227 /nfs/dbraw/zinc/12/42/27/743124227.db2.gz IJMJAOUFGRRGDN-HNNXBMFYSA-N 1 3 335.452 0.906 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000997037160 743157274 /nfs/dbraw/zinc/15/72/74/743157274.db2.gz UUCABOGXNZHRIL-HNNXBMFYSA-N 1 3 333.436 0.542 20 0 ECADHO CC(C)n1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027216676 743191995 /nfs/dbraw/zinc/19/19/95/743191995.db2.gz WKWDLBNDMAYDHX-CABCVRRESA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)n1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027216676 743191999 /nfs/dbraw/zinc/19/19/99/743191999.db2.gz WKWDLBNDMAYDHX-CABCVRRESA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)n1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027216677 743192651 /nfs/dbraw/zinc/19/26/51/743192651.db2.gz WKWDLBNDMAYDHX-GJZGRUSLSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)n1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027216677 743192658 /nfs/dbraw/zinc/19/26/58/743192658.db2.gz WKWDLBNDMAYDHX-GJZGRUSLSA-N 1 3 334.468 0.749 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997181938 743324153 /nfs/dbraw/zinc/32/41/53/743324153.db2.gz CVUUOALTPIZQTJ-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997181938 743324163 /nfs/dbraw/zinc/32/41/63/743324163.db2.gz CVUUOALTPIZQTJ-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO CC[C@H](C(N)=O)N1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997289924 743451918 /nfs/dbraw/zinc/45/19/18/743451918.db2.gz ONLIHSMICFKZFK-CZUORRHYSA-N 1 3 338.496 0.809 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)n1 ZINC001020586710 751845633 /nfs/dbraw/zinc/84/56/33/751845633.db2.gz WRIHCGQDTYQHNP-RCBQFDQVSA-N 1 3 334.468 0.616 20 0 ECADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001020587357 751847812 /nfs/dbraw/zinc/84/78/12/751847812.db2.gz BTVSCKNPLRFEOR-MRHIQRDNSA-N 1 3 342.459 0.700 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)C1 ZINC001020588930 751849795 /nfs/dbraw/zinc/84/97/95/751849795.db2.gz QURATMHTQSWYEK-JQFCIGGWSA-N 1 3 344.459 0.864 20 0 ECADHO COc1cncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000997610876 743707667 /nfs/dbraw/zinc/70/76/67/743707667.db2.gz AEZFKRRLPDDTHC-INIZCTEOSA-N 1 3 347.463 0.908 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000997840016 743846163 /nfs/dbraw/zinc/84/61/63/743846163.db2.gz KHMSUXXIGIBOFK-HOTGVXAUSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000998179692 744032655 /nfs/dbraw/zinc/03/26/55/744032655.db2.gz ZLGRSBVCNJZOIS-KBPBESRZSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000998179692 744032659 /nfs/dbraw/zinc/03/26/59/744032659.db2.gz ZLGRSBVCNJZOIS-KBPBESRZSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000976534665 744060558 /nfs/dbraw/zinc/06/05/58/744060558.db2.gz BBKKVMHZAAJTRN-RBGFHDKUSA-N 1 3 336.480 0.097 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000976534665 744060560 /nfs/dbraw/zinc/06/05/60/744060560.db2.gz BBKKVMHZAAJTRN-RBGFHDKUSA-N 1 3 336.480 0.097 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)CC[N@@H+]1C ZINC000976596925 744122284 /nfs/dbraw/zinc/12/22/84/744122284.db2.gz XQSMBMXOWGNBDQ-PVWIJFIWSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)CC[N@H+]1C ZINC000976596925 744122285 /nfs/dbraw/zinc/12/22/85/744122285.db2.gz XQSMBMXOWGNBDQ-PVWIJFIWSA-N 1 3 348.491 0.384 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC(=O)N2CCCCC2)C1 ZINC000998558246 744226569 /nfs/dbraw/zinc/22/65/69/744226569.db2.gz VZKAZUKOTLAWLF-GPANFISMSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC(=O)N2CCCCC2)C1 ZINC000998558248 744226595 /nfs/dbraw/zinc/22/65/95/744226595.db2.gz VZKAZUKOTLAWLF-UYSNPLJNSA-N 1 3 336.480 0.672 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC000998623072 744257201 /nfs/dbraw/zinc/25/72/01/744257201.db2.gz BZVLZHFKSXKDNY-NCOADZHNSA-N 1 3 348.491 0.672 20 0 ECADHO 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ZINC000999875557 744982888 /nfs/dbraw/zinc/98/28/88/744982888.db2.gz BJHBZQWMBMEIBA-CWRNSKLLSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H](NCc1nncn1C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001029147595 745167710 /nfs/dbraw/zinc/16/77/10/745167710.db2.gz XLHSPYOTVGMYQM-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1nncn1C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001029147595 745167714 /nfs/dbraw/zinc/16/77/14/745167714.db2.gz XLHSPYOTVGMYQM-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029154064 745175757 /nfs/dbraw/zinc/17/57/57/745175757.db2.gz ZBNGUBKFZKRRLF-IUODEOHRSA-N 1 3 333.436 0.400 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360681 751979675 /nfs/dbraw/zinc/97/96/75/751979675.db2.gz GBFAZFFXYBZURT-UHFFFAOYSA-N 1 3 332.452 0.503 20 0 ECADHO Cc1nnc(CN[C@@H](C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001029170262 745200054 /nfs/dbraw/zinc/20/00/54/745200054.db2.gz 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ZINC000984411843 746412996 /nfs/dbraw/zinc/41/29/96/746412996.db2.gz OIPASVYKSWSJLY-HNNXBMFYSA-N 1 3 345.447 0.497 20 0 ECADHO CCn1nncc1CNCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029994 746515069 /nfs/dbraw/zinc/51/50/69/746515069.db2.gz LGYPFWLTLYVTIM-HOCLYGCPSA-N 1 3 334.468 0.911 20 0 ECADHO CCn1nncc1CNCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029994 746515071 /nfs/dbraw/zinc/51/50/71/746515071.db2.gz LGYPFWLTLYVTIM-HOCLYGCPSA-N 1 3 334.468 0.911 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027681326 746765866 /nfs/dbraw/zinc/76/58/66/746765866.db2.gz UHBVXKGJSSZMKV-SJORKVTESA-N 1 3 348.495 0.769 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027681326 746765869 /nfs/dbraw/zinc/76/58/69/746765869.db2.gz UHBVXKGJSSZMKV-SJORKVTESA-N 1 3 348.495 0.769 20 0 ECADHO O=C(NC[C@@H]1[C@H]2CN(Cc3cccnc3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978956422 746952698 /nfs/dbraw/zinc/95/26/98/746952698.db2.gz DMTOCVSWEDONLW-OSYLJGHBSA-N 1 3 326.444 0.971 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)CCC1 ZINC001087992647 746952899 /nfs/dbraw/zinc/95/28/99/746952899.db2.gz DUYDJCXIKRWMBY-CVEARBPZSA-N 1 3 346.479 0.543 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)CCC1 ZINC001087992647 746952902 /nfs/dbraw/zinc/95/29/02/746952902.db2.gz DUYDJCXIKRWMBY-CVEARBPZSA-N 1 3 346.479 0.543 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)nn1 ZINC000984805435 746961181 /nfs/dbraw/zinc/96/11/81/746961181.db2.gz SNMSJPBXXWEOQZ-DZKIICNBSA-N 1 3 347.463 0.811 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCc4ncnn43)C2)C1 ZINC000984806504 746962336 /nfs/dbraw/zinc/96/23/36/746962336.db2.gz YIBDNMPOIFFGEQ-KLHDSHLOSA-N 1 3 346.479 0.592 20 0 ECADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088025900 747099416 /nfs/dbraw/zinc/09/94/16/747099416.db2.gz HSFDRJNRXHXYPQ-OWCLPIDISA-N 1 3 348.491 0.659 20 0 ECADHO C[C@@H](NCc1ccnn1C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979449157 747857929 /nfs/dbraw/zinc/85/79/29/747857929.db2.gz MINICNBBABTSMZ-ZBFHGGJFSA-N 1 3 347.463 0.221 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)[C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000985441406 748030026 /nfs/dbraw/zinc/03/00/26/748030026.db2.gz GHUFIDJVLVBXLJ-BMFZPTHFSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)[C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC000985441406 748030031 /nfs/dbraw/zinc/03/00/31/748030031.db2.gz GHUFIDJVLVBXLJ-BMFZPTHFSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1)C1CC1 ZINC000985469495 748185470 /nfs/dbraw/zinc/18/54/70/748185470.db2.gz FHIQVPNRXKWMKV-CVEARBPZSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1)C1CC1 ZINC000985469495 748185476 /nfs/dbraw/zinc/18/54/76/748185476.db2.gz FHIQVPNRXKWMKV-CVEARBPZSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)C1(C(=O)N2CCC([N@H+](C)[C@H]3CCN(C)C3=O)CC2)CCC1 ZINC000985470199 748200132 /nfs/dbraw/zinc/20/01/32/748200132.db2.gz NNPPPHBLHNNLHV-HNNXBMFYSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)[C@H]3CCN(C)C3=O)CC2)CCC1 ZINC000985470199 748200139 /nfs/dbraw/zinc/20/01/39/748200139.db2.gz NNPPPHBLHNNLHV-HNNXBMFYSA-N 1 3 336.480 0.624 20 0 ECADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000985471008 748200824 /nfs/dbraw/zinc/20/08/24/748200824.db2.gz SIZWGGCUOISPGH-QGZVFWFLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCN(C)C3=O)C2)CCC1 ZINC001029755610 748264428 /nfs/dbraw/zinc/26/44/28/748264428.db2.gz NBLNMTRREYZTCM-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)[C@H]3CCN(C)C3=O)C2)CCC1 ZINC001029755610 748264434 /nfs/dbraw/zinc/26/44/34/748264434.db2.gz NBLNMTRREYZTCM-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(N(C)[C@@H](C)C(N)=O)CC2)C1 ZINC000985594590 748702233 /nfs/dbraw/zinc/70/22/33/748702233.db2.gz XLKRZCUAFJLPOA-LSDHHAIUSA-N 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C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000980066807 748926688 /nfs/dbraw/zinc/92/66/88/748926688.db2.gz PHWYUCDRZXSQDQ-BZUAXINKSA-N 1 3 348.491 0.578 20 0 ECADHO CN1CCC[C@@H]([N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985792684 749110621 /nfs/dbraw/zinc/11/06/21/749110621.db2.gz OMUSGBIMNRAQNX-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@@H]([N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985792684 749110625 /nfs/dbraw/zinc/11/06/25/749110625.db2.gz OMUSGBIMNRAQNX-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000985793136 749111578 /nfs/dbraw/zinc/11/15/78/749111578.db2.gz UQLBSVJZUCCYAT-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000985793136 749111581 /nfs/dbraw/zinc/11/15/81/749111581.db2.gz UQLBSVJZUCCYAT-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO Cn1nncc1CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001088425059 749163602 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CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2C1)N(C)C ZINC001048887806 757302218 /nfs/dbraw/zinc/30/22/18/757302218.db2.gz FIQJBFYBORNRJK-HLLBOEOZSA-N 1 3 333.480 0.693 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCn3cncn3)C(C)(C)C2)C1 ZINC000996300923 757310513 /nfs/dbraw/zinc/31/05/13/757310513.db2.gz PCIONHGPDPECNU-LSDHHAIUSA-N 1 3 334.468 0.447 20 0 ECADHO Cn1cc(CN2[C@@H]3CC[C@H]2CC(NC(=O)[C@H]2CC[N@H+](C)C2)C3)cn1 ZINC001021459978 757474076 /nfs/dbraw/zinc/47/40/76/757474076.db2.gz VQZQDWXYXFKIPT-XYTVBORESA-N 1 3 331.464 0.983 20 0 ECADHO Cn1cc(CN2[C@@H]3CC[C@H]2CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C3)cn1 ZINC001021459978 757474080 /nfs/dbraw/zinc/47/40/80/757474080.db2.gz VQZQDWXYXFKIPT-XYTVBORESA-N 1 3 331.464 0.983 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001049006598 757672044 /nfs/dbraw/zinc/67/20/44/757672044.db2.gz CDFQJEJATQAEOT-GVRJEKJASA-N 1 3 336.480 0.371 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001049006598 757672049 /nfs/dbraw/zinc/67/20/49/757672049.db2.gz CDFQJEJATQAEOT-GVRJEKJASA-N 1 3 336.480 0.371 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001076950702 757711549 /nfs/dbraw/zinc/71/15/49/757711549.db2.gz CLEJDEGGEDRHCF-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H](C1CC1)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001076955868 757740122 /nfs/dbraw/zinc/74/01/22/757740122.db2.gz CEBJNPCLTITWAF-XJKSGUPXSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](N[C@@H](C)C(N)=O)C(C)(C)C2)CC1 ZINC000996477004 757758838 /nfs/dbraw/zinc/75/88/38/757758838.db2.gz UOIHJCCHFAUCIQ-ZFWWWQNUSA-N 1 3 338.496 0.807 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)N(C)C3CC3)C[C@H]2C1 ZINC001049060007 757825600 /nfs/dbraw/zinc/82/56/00/757825600.db2.gz LJUKMIWQSTXOLH-MPTYRVRUSA-N 1 3 348.491 0.195 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)N(C)C3CC3)C[C@H]2C1 ZINC001049060007 757825608 /nfs/dbraw/zinc/82/56/08/757825608.db2.gz LJUKMIWQSTXOLH-MPTYRVRUSA-N 1 3 348.491 0.195 20 0 ECADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)CCC1 ZINC000996547286 757986796 /nfs/dbraw/zinc/98/67/96/757986796.db2.gz YHDXREWOZDEIRC-WCVJEAGWSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)CCC1 ZINC000996547286 757986801 /nfs/dbraw/zinc/98/68/01/757986801.db2.gz YHDXREWOZDEIRC-WCVJEAGWSA-N 1 3 348.491 0.671 20 0 ECADHO Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC2)cn1 ZINC000996617376 758254076 /nfs/dbraw/zinc/25/40/76/758254076.db2.gz ALGMNRPCKZTWPH-IRXDYDNUSA-N 1 3 347.463 0.364 20 0 ECADHO C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CN(C)C1CCC1 ZINC001077184627 758443068 /nfs/dbraw/zinc/44/30/68/758443068.db2.gz ONQNBNXOOCSBCY-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022455151 758746088 /nfs/dbraw/zinc/74/60/88/758746088.db2.gz IZECNAWLZOSQJF-JULPMKOJSA-N 1 3 348.472 0.743 20 0 ECADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001022710277 759021849 /nfs/dbraw/zinc/02/18/49/759021849.db2.gz BTVSCKNPLRFEOR-PFHKOEEOSA-N 1 3 342.459 0.700 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001022713651 759027214 /nfs/dbraw/zinc/02/72/14/759027214.db2.gz LHPSSMXENVAMNL-ZHRONYKTSA-N 1 3 340.443 0.324 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC001107042204 759503090 /nfs/dbraw/zinc/50/30/90/759503090.db2.gz ACYFSDSLDDQXQX-RBSFLKMASA-N 1 3 326.485 0.487 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975997 759761362 /nfs/dbraw/zinc/76/13/62/759761362.db2.gz QDICJOXJGCHVTN-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1ccn(C)n1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048041456 759871293 /nfs/dbraw/zinc/87/12/93/759871293.db2.gz XVVKJSVLAQSFPU-LSDHHAIUSA-N 1 3 331.464 0.843 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001054298391 767907666 /nfs/dbraw/zinc/90/76/66/767907666.db2.gz GHVWTXXDIYQMSB-KFWWJZLASA-N 1 3 345.509 0.342 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2nnnn2C)CC1 ZINC001050364476 760184052 /nfs/dbraw/zinc/18/40/52/760184052.db2.gz AHTOBVADLJKBEO-KBUPBQIOSA-N 1 3 349.483 0.172 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2nnnn2C)CC1 ZINC001050364476 760184058 /nfs/dbraw/zinc/18/40/58/760184058.db2.gz AHTOBVADLJKBEO-KBUPBQIOSA-N 1 3 349.483 0.172 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001048281720 760213245 /nfs/dbraw/zinc/21/32/45/760213245.db2.gz URNGWYTZUATJDQ-GJZGRUSLSA-N 1 3 348.495 0.966 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001050519503 760416274 /nfs/dbraw/zinc/41/62/74/760416274.db2.gz KBSFOKXKOXQRTE-CVEARBPZSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001050519503 760416275 /nfs/dbraw/zinc/41/62/75/760416275.db2.gz KBSFOKXKOXQRTE-CVEARBPZSA-N 1 3 348.491 0.672 20 0 ECADHO CN1CC[C@@H](N2CCC3(CN(C(=O)[C@H](C4CC4)[NH+](C)C)C3)CC2)C1=O ZINC001050542217 760459969 /nfs/dbraw/zinc/45/99/69/760459969.db2.gz APHITFLOFOCANF-CVEARBPZSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CN1C(=O)CN1CCCC1 ZINC001012648560 760484690 /nfs/dbraw/zinc/48/46/90/760484690.db2.gz NSDFQNDOOJDRMN-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNCc1cn(C)nn1 ZINC001048441126 760534765 /nfs/dbraw/zinc/53/47/65/760534765.db2.gz OGHXJOFZFJESBF-ZIAGYGMSSA-N 1 3 332.452 0.095 20 0 ECADHO CCn1cc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)nn1 ZINC001048441216 760536614 /nfs/dbraw/zinc/53/66/14/760536614.db2.gz OLAWXSWXKXWYQG-HUUCEWRRSA-N 1 3 346.479 0.578 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNCc1cnns1 ZINC001048442585 760537992 /nfs/dbraw/zinc/53/79/92/760537992.db2.gz WBUYITUFBBMMKQ-STQMWFEESA-N 1 3 335.477 0.818 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CNCc1nncn1C ZINC001048477818 760591064 /nfs/dbraw/zinc/59/10/64/760591064.db2.gz DGBBJOPOXLUZAJ-JKSUJKDBSA-N 1 3 348.495 0.875 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CNCc1cn(C)nn1 ZINC001048478441 760592349 /nfs/dbraw/zinc/59/23/49/760592349.db2.gz GMDFKVLRDKYMKF-HOTGVXAUSA-N 1 3 348.495 0.875 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC3(C2)CCN([C@@H]2CCNC2=O)CC3)CC1 ZINC001050643800 760620371 /nfs/dbraw/zinc/62/03/71/760620371.db2.gz QBXWZHBULXTSPT-OAHLLOKOSA-N 1 3 334.464 0.141 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001050643976 760620394 /nfs/dbraw/zinc/62/03/94/760620394.db2.gz ZFFWXOXFNZDPMQ-OAHLLOKOSA-N 1 3 336.480 0.517 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)NC2CN(C(=O)CN3CCCC3)C2)cc1 ZINC000995799361 760623212 /nfs/dbraw/zinc/62/32/12/760623212.db2.gz HCCRDXQEAFIGMN-UHFFFAOYSA-N 1 3 344.459 0.785 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663370 760639812 /nfs/dbraw/zinc/63/98/12/760639812.db2.gz RVFIOGZVAUABJI-LSDHHAIUSA-N 1 3 336.480 0.659 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663370 760639817 /nfs/dbraw/zinc/63/98/17/760639817.db2.gz RVFIOGZVAUABJI-LSDHHAIUSA-N 1 3 336.480 0.659 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000995793210 760653111 /nfs/dbraw/zinc/65/31/11/760653111.db2.gz CSPWEYSAYPKLEM-QGZVFWFLSA-N 1 3 344.459 0.783 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048524891 760662323 /nfs/dbraw/zinc/66/23/23/760662323.db2.gz DNWXVIZKPYOYLC-VIQHNZTISA-N 1 3 348.491 0.705 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048524891 760662330 /nfs/dbraw/zinc/66/23/30/760662330.db2.gz DNWXVIZKPYOYLC-VIQHNZTISA-N 1 3 348.491 0.705 20 0 ECADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066782 760706622 /nfs/dbraw/zinc/70/66/22/760706622.db2.gz SEGGZCUBPGZPCZ-CABCVRRESA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066782 760706627 /nfs/dbraw/zinc/70/66/27/760706627.db2.gz SEGGZCUBPGZPCZ-CABCVRRESA-N 1 3 326.485 0.726 20 0 ECADHO CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050754502 760782109 /nfs/dbraw/zinc/78/21/09/760782109.db2.gz YAKHCTYRRIYOKI-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050754502 760782114 /nfs/dbraw/zinc/78/21/14/760782114.db2.gz YAKHCTYRRIYOKI-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)CN3CCCC3)C2)CC1 ZINC001050755037 760783963 /nfs/dbraw/zinc/78/39/63/760783963.db2.gz GXCUBKWCQSCKLJ-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000991476997 761129360 /nfs/dbraw/zinc/12/93/60/761129360.db2.gz FBQGAUFIUPPXGB-INIZCTEOSA-N 1 3 348.491 0.815 20 0 ECADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249577 768014992 /nfs/dbraw/zinc/01/49/92/768014992.db2.gz LDNWUTYEULVWPT-OIISXLGYSA-N 1 3 341.496 0.674 20 0 ECADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281822 768065380 /nfs/dbraw/zinc/06/53/80/768065380.db2.gz FWMSWQHNEWGJNV-FMKPAKJESA-N 1 3 326.485 0.393 20 0 ECADHO Cn1ccc(C[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)cc1=O ZINC001127316862 768093434 /nfs/dbraw/zinc/09/34/34/768093434.db2.gz COMPDFFWTSBNAE-UHFFFAOYSA-N 1 3 334.464 0.856 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051902391 763280036 /nfs/dbraw/zinc/28/00/36/763280036.db2.gz DMZFXUPTFAQNMM-RDJZCZTQSA-N 1 3 347.463 0.444 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051902391 763280039 /nfs/dbraw/zinc/28/00/39/763280039.db2.gz DMZFXUPTFAQNMM-RDJZCZTQSA-N 1 3 347.463 0.444 20 0 ECADHO O=C(NC[C@@H]1CN(CCCO)CCC1(F)F)[C@@H]1C[NH+]2CCC1CC2 ZINC001046938783 763422565 /nfs/dbraw/zinc/42/25/65/763422565.db2.gz GEFWFPDDLQWNRE-HUUCEWRRSA-N 1 3 345.434 0.784 20 0 ECADHO C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)Cc1c[nH]cn1 ZINC001015034072 763713836 /nfs/dbraw/zinc/71/38/36/763713836.db2.gz JECJFWNROOQWLH-XJKSGUPXSA-N 1 3 347.463 0.790 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001106336341 768159453 /nfs/dbraw/zinc/15/94/53/768159453.db2.gz JOJBIASVKMSFAN-KFWWJZLASA-N 1 3 338.496 0.632 20 0 ECADHO CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CN(CCOC2CCC2)C[C@@H]1O ZINC001047324773 764002963 /nfs/dbraw/zinc/00/29/63/764002963.db2.gz XTLKYSMXDXAXPR-PMPSAXMXSA-N 1 3 325.453 0.153 20 0 ECADHO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(CCOC2CCC2)C[C@@H]1O ZINC001047324773 764002970 /nfs/dbraw/zinc/00/29/70/764002970.db2.gz XTLKYSMXDXAXPR-PMPSAXMXSA-N 1 3 325.453 0.153 20 0 ECADHO O=C(N[C@H]1CC[N@H+](CC2CCOCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015326184 764375537 /nfs/dbraw/zinc/37/55/37/764375537.db2.gz YGIMDYRFNMSVAT-VIHIWDAPSA-N 1 3 349.475 0.467 20 0 ECADHO O=C(N[C@H]1CC[N@@H+](CC2CCOCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015326184 764375543 /nfs/dbraw/zinc/37/55/43/764375543.db2.gz YGIMDYRFNMSVAT-VIHIWDAPSA-N 1 3 349.475 0.467 20 0 ECADHO CCCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047558666 764692838 /nfs/dbraw/zinc/69/28/38/764692838.db2.gz FCKIWXCOMCYJLC-HOTGVXAUSA-N 1 3 337.468 0.362 20 0 ECADHO CC[C@H](C(N)=O)N1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052529913 764699849 /nfs/dbraw/zinc/69/98/49/764699849.db2.gz UTJYSECXOHUKEM-LSDHHAIUSA-N 1 3 336.480 0.849 20 0 ECADHO Cc1ccc(CCN2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001047629221 764932079 /nfs/dbraw/zinc/93/20/79/764932079.db2.gz UFNZWUZPPDILMJ-QYZOEREBSA-N 1 3 345.487 0.993 20 0 ECADHO Cc1ccc(CCN2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001047629221 764932087 /nfs/dbraw/zinc/93/20/87/764932087.db2.gz UFNZWUZPPDILMJ-QYZOEREBSA-N 1 3 345.487 0.993 20 0 ECADHO C[C@@H](O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001017660760 768261677 /nfs/dbraw/zinc/26/16/77/768261677.db2.gz ODPMDDKDPPGZQL-OAGGEKHMSA-N 1 3 339.480 0.401 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000992006998 765136715 /nfs/dbraw/zinc/13/67/15/765136715.db2.gz CIDQGPWVENECDA-JKSUJKDBSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000992006998 765136718 /nfs/dbraw/zinc/13/67/18/765136718.db2.gz CIDQGPWVENECDA-JKSUJKDBSA-N 1 3 334.464 0.426 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001053355383 766020700 /nfs/dbraw/zinc/02/07/00/766020700.db2.gz GFPIAFXYEKFNCM-CABCVRRESA-N 1 3 326.485 0.489 20 0 ECADHO O=C(N[C@@H]1CC12CC[NH+](CCCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC001016740777 766827354 /nfs/dbraw/zinc/82/73/54/766827354.db2.gz NTRWWMYSVLYVJP-BWRBCVJASA-N 1 3 349.475 0.203 20 0 ECADHO Cn1nccc1CCN1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046319577 767145519 /nfs/dbraw/zinc/14/55/19/767145519.db2.gz UXSMECYCAFHDLS-HKUYNNGSSA-N 1 3 345.491 0.885 20 0 ECADHO Cn1nccc1CCN1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046595476 767349078 /nfs/dbraw/zinc/34/90/78/767349078.db2.gz HTPCNHXJDZEEOM-SFHVURJKSA-N 1 3 333.480 0.885 20 0 ECADHO C[NH+](C)CC1(C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001060463652 767470077 /nfs/dbraw/zinc/47/00/77/767470077.db2.gz ZZWWTWIBSGPFOJ-CQSZACIVSA-N 1 3 347.463 0.649 20 0 ECADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)[C@H]2CCNC2=O)C1)C1CCC1 ZINC001017142736 767644733 /nfs/dbraw/zinc/64/47/33/767644733.db2.gz PDFSUDLCZNUCMN-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@H]2CCNC2=O)C1)C1CCC1 ZINC001017142736 767644737 /nfs/dbraw/zinc/64/47/37/767644737.db2.gz PDFSUDLCZNUCMN-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1nncn1C ZINC001106594337 768477121 /nfs/dbraw/zinc/47/71/21/768477121.db2.gz QEYOLAFOAFVDJW-QLFBSQMISA-N 1 3 348.495 0.902 20 0 ECADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1NCc1cnnn1C ZINC001054969754 768485411 /nfs/dbraw/zinc/48/54/11/768485411.db2.gz UIAZNRZOVFNKGW-ZFWWWQNUSA-N 1 3 334.468 0.626 20 0 ECADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106665735 768578675 /nfs/dbraw/zinc/57/86/75/768578675.db2.gz ACKZRBKAEKBANF-BRWVUGGUSA-N 1 3 341.496 0.675 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001106665803 768578797 /nfs/dbraw/zinc/57/87/97/768578797.db2.gz BUPQPRDWJPAXAQ-BZUAXINKSA-N 1 3 334.468 0.304 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCc3ccnn3C)[C@H](C)C2)C1 ZINC001106666906 768579665 /nfs/dbraw/zinc/57/96/65/768579665.db2.gz ZPSUKOXXZAFFSK-GVDBMIGSSA-N 1 3 347.507 0.989 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055344837 768801954 /nfs/dbraw/zinc/80/19/54/768801954.db2.gz FQRJVNUXSZBUJU-OAGGEKHMSA-N 1 3 336.480 0.195 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055344837 768801963 /nfs/dbraw/zinc/80/19/63/768801963.db2.gz FQRJVNUXSZBUJU-OAGGEKHMSA-N 1 3 336.480 0.195 20 0 ECADHO CNC(=O)c1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001018628947 769681079 /nfs/dbraw/zinc/68/10/79/769681079.db2.gz UPJZCKFSZXXISA-DLBZAZTESA-N 1 3 344.459 0.831 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000993956587 769889797 /nfs/dbraw/zinc/88/97/97/769889797.db2.gz HQXGHFOXDNXYRA-INIZCTEOSA-N 1 3 345.447 0.686 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000993956587 769889805 /nfs/dbraw/zinc/88/98/05/769889805.db2.gz HQXGHFOXDNXYRA-INIZCTEOSA-N 1 3 345.447 0.686 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)C1 ZINC001018881127 770184673 /nfs/dbraw/zinc/18/46/73/770184673.db2.gz ZFDIQKWRNAOYFM-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)C1 ZINC001018881127 770184676 /nfs/dbraw/zinc/18/46/76/770184676.db2.gz ZFDIQKWRNAOYFM-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)c(C)n1 ZINC001018966299 770421575 /nfs/dbraw/zinc/42/15/75/770421575.db2.gz GELIYNOKXKUDDM-JKSUJKDBSA-N 1 3 347.463 0.824 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001019000588 770532460 /nfs/dbraw/zinc/53/24/60/770532460.db2.gz DBCSPPXVCNUIPT-RDJZCZTQSA-N 1 3 334.464 0.662 20 0 ECADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001019232162 771035885 /nfs/dbraw/zinc/03/58/85/771035885.db2.gz MDDQESWYGXQOLQ-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C3)C1 ZINC001019443529 771294664 /nfs/dbraw/zinc/29/46/64/771294664.db2.gz RLMIGJBCPKOSLF-CVEARBPZSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C3)C1 ZINC001019443529 771294668 /nfs/dbraw/zinc/29/46/68/771294668.db2.gz RLMIGJBCPKOSLF-CVEARBPZSA-N 1 3 348.491 0.341 20 0 ECADHO CC(C)(C)CCNC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475594 771306685 /nfs/dbraw/zinc/30/66/85/771306685.db2.gz WJLOMTYDXYHKQW-HNNXBMFYSA-N 1 3 338.496 0.586 20 0 ECADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475775 771309073 /nfs/dbraw/zinc/30/90/73/771309073.db2.gz YOWSWOBKJDJIRE-HOCLYGCPSA-N 1 3 336.480 0.435 20 0 ECADHO CNC(=O)c1cccc(CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001127480862 771318113 /nfs/dbraw/zinc/31/81/13/771318113.db2.gz NLZFZWYMFUFRQH-QGZVFWFLSA-N 1 3 344.459 0.594 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC1 ZINC001019592962 771560890 /nfs/dbraw/zinc/56/08/90/771560890.db2.gz ASFAXCUQOXWUQM-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001019630590 771632625 /nfs/dbraw/zinc/63/26/25/771632625.db2.gz BRCRRXXKLWOSCZ-IRXDYDNUSA-N 1 3 348.491 0.578 20 0 ECADHO CNC(=O)c1cccc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001019772708 771780958 /nfs/dbraw/zinc/78/09/58/771780958.db2.gz PAZZRYWVYCWCKS-IRXDYDNUSA-N 1 3 344.459 0.688 20 0 ECADHO CNC(=O)c1cccc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001019772708 771780962 /nfs/dbraw/zinc/78/09/62/771780962.db2.gz PAZZRYWVYCWCKS-IRXDYDNUSA-N 1 3 344.459 0.688 20 0 ECADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)ncn1 ZINC001020179274 772250745 /nfs/dbraw/zinc/25/07/45/772250745.db2.gz VCLMTLWKJTXRII-MUIFIZLQSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)ncn1 ZINC001020179274 772250748 /nfs/dbraw/zinc/25/07/48/772250748.db2.gz VCLMTLWKJTXRII-MUIFIZLQSA-N 1 3 345.447 0.385 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001078468275 783007600 /nfs/dbraw/zinc/00/76/00/783007600.db2.gz BRUNYYOWQNKMQX-RDJZCZTQSA-N 1 3 349.479 0.612 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001078472565 783017097 /nfs/dbraw/zinc/01/70/97/783017097.db2.gz AJKRURIVXWPYBB-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001078472565 783017101 /nfs/dbraw/zinc/01/71/01/783017101.db2.gz AJKRURIVXWPYBB-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406866 772551025 /nfs/dbraw/zinc/55/10/25/772551025.db2.gz COFKZOYDYGGTMI-DSRSWSHVSA-N 1 3 349.475 0.656 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C[C@H]2C)CC1 ZINC001044794716 774619145 /nfs/dbraw/zinc/61/91/45/774619145.db2.gz YIZRJLBAOUHQQB-IAGOWNOFSA-N 1 3 348.495 0.979 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001045039410 774882149 /nfs/dbraw/zinc/88/21/49/774882149.db2.gz ITTVEOJOLSQVLD-DOTOQJQBSA-N 1 3 346.479 0.720 20 0 ECADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001045039340 774882611 /nfs/dbraw/zinc/88/26/11/774882611.db2.gz HEFRDGUIARIITF-GJZGRUSLSA-N 1 3 332.452 0.536 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001045040196 774883885 /nfs/dbraw/zinc/88/38/85/774883885.db2.gz VXBGLNALCGSKFH-HOCLYGCPSA-N 1 3 332.452 0.238 20 0 ECADHO CN1CCC[C@H](N2CCC(C)(NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001045621931 775906028 /nfs/dbraw/zinc/90/60/28/775906028.db2.gz VYYIALYENAFNBW-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO CN1CCC[C@@H](N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001045639793 775947365 /nfs/dbraw/zinc/94/73/65/775947365.db2.gz RUONAYFVZDCIPL-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H](N2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001045639793 775947376 /nfs/dbraw/zinc/94/73/76/775947376.db2.gz RUONAYFVZDCIPL-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079930213 777102712 /nfs/dbraw/zinc/10/27/12/777102712.db2.gz FZDHMBBNQWBXQC-UHFFFAOYSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C1(N(C)C)CCC1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079943426 777121033 /nfs/dbraw/zinc/12/10/33/777121033.db2.gz CAFDOLDIBJMTFW-AWEZNQCLSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C1(N(C)C)CCC1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079943426 777121039 /nfs/dbraw/zinc/12/10/39/777121039.db2.gz CAFDOLDIBJMTFW-AWEZNQCLSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)[C@H](C(C)C)N(C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079951918 777139318 /nfs/dbraw/zinc/13/93/18/777139318.db2.gz LUHAMHKFJKBEOQ-ZBFHGGJFSA-N 1 3 338.496 0.584 20 0 ECADHO CCN(C(=O)[C@H](C(C)C)N(C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079951918 777139319 /nfs/dbraw/zinc/13/93/19/777139319.db2.gz LUHAMHKFJKBEOQ-ZBFHGGJFSA-N 1 3 338.496 0.584 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001080018146 777240566 /nfs/dbraw/zinc/24/05/66/777240566.db2.gz JNYXNNPSXRGIQB-GOEBONIOSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001080018146 777240571 /nfs/dbraw/zinc/24/05/71/777240571.db2.gz JNYXNNPSXRGIQB-GOEBONIOSA-N 1 3 338.496 0.870 20 0 ECADHO CCC[N@H+](C)CCC(=O)N(CC)C1CN(C(=O)CN2CCCC2)C1 ZINC001080190287 777524238 /nfs/dbraw/zinc/52/42/38/777524238.db2.gz KSXXTFHOOZJILT-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N(CC)C1CN(C(=O)CN2CCCC2)C1 ZINC001080190287 777524241 /nfs/dbraw/zinc/52/42/41/777524241.db2.gz KSXXTFHOOZJILT-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001080192282 777530271 /nfs/dbraw/zinc/53/02/71/777530271.db2.gz MBIIFQJXPOHCIX-GOEBONIOSA-N 1 3 338.496 0.585 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001080192282 777530277 /nfs/dbraw/zinc/53/02/77/777530277.db2.gz MBIIFQJXPOHCIX-GOEBONIOSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001080444439 777867401 /nfs/dbraw/zinc/86/74/01/777867401.db2.gz KUQSWGBFHYBKQK-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001080558026 778025557 /nfs/dbraw/zinc/02/55/57/778025557.db2.gz KJRNCQDPGFVXMG-ZBFHGGJFSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001080558026 778025563 /nfs/dbraw/zinc/02/55/63/778025563.db2.gz KJRNCQDPGFVXMG-ZBFHGGJFSA-N 1 3 338.496 0.870 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCCO2)cn1 ZINC001078508143 780047105 /nfs/dbraw/zinc/04/71/05/780047105.db2.gz LBTOEOWVQOHQKO-HZPDHXFCSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCCO2)cn1 ZINC001078508143 780047116 /nfs/dbraw/zinc/04/71/16/780047116.db2.gz LBTOEOWVQOHQKO-HZPDHXFCSA-N 1 3 335.452 0.079 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041405093 781444325 /nfs/dbraw/zinc/44/43/25/781444325.db2.gz ZTGAKROSYLHJLO-NVXWUHKLSA-N 1 3 334.468 0.543 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041405093 781444330 /nfs/dbraw/zinc/44/43/30/781444330.db2.gz ZTGAKROSYLHJLO-NVXWUHKLSA-N 1 3 334.468 0.543 20 0 ECADHO CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1NCc1nncn1C ZINC001037924848 783705883 /nfs/dbraw/zinc/70/58/83/783705883.db2.gz MAIRVUQZPRTZQG-HOCLYGCPSA-N 1 3 348.495 0.874 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001072150663 785750337 /nfs/dbraw/zinc/75/03/37/785750337.db2.gz UEOKHQWNMYRGPS-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001072152270 785755090 /nfs/dbraw/zinc/75/50/90/785755090.db2.gz LWNBDLMABCDJFW-GOEBONIOSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001072286508 785979153 /nfs/dbraw/zinc/97/91/53/785979153.db2.gz LGFOGXJWERTKDM-ZBFHGGJFSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NC(=O)CN(C)C1CCC1 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20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605166 786758983 /nfs/dbraw/zinc/75/89/83/786758983.db2.gz CLFSDUZKLGAURU-JKSUJKDBSA-N 1 3 325.453 0.182 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073672448 786933043 /nfs/dbraw/zinc/93/30/43/786933043.db2.gz LVTJVVVNFKRLIH-HOTGVXAUSA-N 1 3 327.469 0.306 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073672448 786933051 /nfs/dbraw/zinc/93/30/51/786933051.db2.gz LVTJVVVNFKRLIH-HOTGVXAUSA-N 1 3 327.469 0.306 20 0 ECADHO CO[C@@H](C)CN1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677254 786947822 /nfs/dbraw/zinc/94/78/22/786947822.db2.gz BOKQEYVJRWKQQD-HOTGVXAUSA-N 1 3 339.480 0.857 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074803797 788358268 /nfs/dbraw/zinc/35/82/68/788358268.db2.gz OJPZHOJZQABINN-YHUYYLMFSA-N 1 3 336.480 0.576 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001072622508 788453090 /nfs/dbraw/zinc/45/30/90/788453090.db2.gz RFBOZDQKXKHIQI-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@H]2C)n1 ZINC001074877509 788476026 /nfs/dbraw/zinc/47/60/26/788476026.db2.gz CGSGKWUPOSETAO-ZQIUZPCESA-N 1 3 348.495 0.958 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)CCN1C(=O)CN1CCCC1 ZINC001075108772 788917007 /nfs/dbraw/zinc/91/70/07/788917007.db2.gz LBHXVPBVTFJVLB-XHSDSOJGSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)N1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)C1=O ZINC001075108881 788917157 /nfs/dbraw/zinc/91/71/57/788917157.db2.gz VAWLVFHKWSSYRN-JYJNAYRXSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCn2cncn2)C3)C1 ZINC001072983295 789218380 /nfs/dbraw/zinc/21/83/80/789218380.db2.gz QRJHXTXIMUMSFF-OAHLLOKOSA-N 1 3 332.452 0.154 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCn2cncn2)C3)C1 ZINC001072983295 789218386 /nfs/dbraw/zinc/21/83/86/789218386.db2.gz QRJHXTXIMUMSFF-OAHLLOKOSA-N 1 3 332.452 0.154 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN(CCn2cncn2)C3)C1 ZINC001072983295 789218395 /nfs/dbraw/zinc/21/83/95/789218395.db2.gz QRJHXTXIMUMSFF-OAHLLOKOSA-N 1 3 332.452 0.154 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(CCn2cncn2)C3)C1 ZINC001072983295 789218403 /nfs/dbraw/zinc/21/84/03/789218403.db2.gz QRJHXTXIMUMSFF-OAHLLOKOSA-N 1 3 332.452 0.154 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCn1nc(C)nc1C)C2)N(C)C ZINC001072991161 789236889 /nfs/dbraw/zinc/23/68/89/789236889.db2.gz OVODTMGYBORZGH-INIZCTEOSA-N 1 3 348.495 0.769 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCn1nc(C)nc1C)C2)N(C)C ZINC001072991161 789236896 /nfs/dbraw/zinc/23/68/96/789236896.db2.gz OVODTMGYBORZGH-INIZCTEOSA-N 1 3 348.495 0.769 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCc1ccnn1C)C2)N(C)C ZINC001072990895 789237320 /nfs/dbraw/zinc/23/73/20/789237320.db2.gz GQHKWIIASWYUNL-INIZCTEOSA-N 1 3 333.480 0.837 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCc1ccnn1C)C2)N(C)C ZINC001072990895 789237325 /nfs/dbraw/zinc/23/73/25/789237325.db2.gz GQHKWIIASWYUNL-INIZCTEOSA-N 1 3 333.480 0.837 20 0 ECADHO CCCN(C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073038341 789319990 /nfs/dbraw/zinc/31/99/90/789319990.db2.gz DLJHRZXHNGKCDG-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073038341 789320001 /nfs/dbraw/zinc/32/00/01/789320001.db2.gz DLJHRZXHNGKCDG-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(CN1CCCC1)N1CCC([C@@H]2C[C@H]([NH2+]CCO)CCO2)CC1 ZINC001075396986 789323893 /nfs/dbraw/zinc/32/38/93/789323893.db2.gz GDVTUABAYJFKPE-SJORKVTESA-N 1 3 339.480 0.450 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001073127956 789489554 /nfs/dbraw/zinc/48/95/54/789489554.db2.gz MBMCSKRAHNBEST-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001073127956 789489557 /nfs/dbraw/zinc/48/95/57/789489557.db2.gz MBMCSKRAHNBEST-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO CCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001069646821 789947712 /nfs/dbraw/zinc/94/77/12/789947712.db2.gz VRLAFNVBFXEGIK-AWEZNQCLSA-N 1 3 347.463 0.791 20 0 ECADHO CCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001069646821 789947717 /nfs/dbraw/zinc/94/77/17/789947717.db2.gz VRLAFNVBFXEGIK-AWEZNQCLSA-N 1 3 347.463 0.791 20 0 ECADHO CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001267162663 836880474 /nfs/dbraw/zinc/88/04/74/836880474.db2.gz GYMRZGSLKBCIEB-HZPDHXFCSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001267162663 836880480 /nfs/dbraw/zinc/88/04/80/836880480.db2.gz GYMRZGSLKBCIEB-HZPDHXFCSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001023124262 837095554 /nfs/dbraw/zinc/09/55/54/837095554.db2.gz DRTJQADNRGCXTR-FPCVCCKLSA-N 1 3 336.480 0.718 20 0 ECADHO CCC[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267373361 837278040 /nfs/dbraw/zinc/27/80/40/837278040.db2.gz AJYHBLOJJMKWEO-GDBMZVCRSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@@H](C(=O)N(CC)CCNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001408769954 838378935 /nfs/dbraw/zinc/37/89/35/838378935.db2.gz JVFONPVBNVFALV-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001408845288 838641425 /nfs/dbraw/zinc/64/14/25/838641425.db2.gz UMKGJRSOWWSAEQ-ARFHVFGLSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001267917767 838789561 /nfs/dbraw/zinc/78/95/61/838789561.db2.gz QERBIMCYSUKFJD-MRXNPFEDSA-N 1 3 336.484 0.874 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000418880595 282116319 /nfs/dbraw/zinc/11/63/19/282116319.db2.gz VRERRLMHNSYHCK-SJORKVTESA-N 1 3 346.475 0.615 20 0 ECADHO CN(C)Cc1ccccc1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354678629 299094153 /nfs/dbraw/zinc/09/41/53/299094153.db2.gz PUNGLNGMUSFCKM-INIZCTEOSA-N 1 3 332.448 0.623 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCC1 ZINC000354679429 299094880 /nfs/dbraw/zinc/09/48/80/299094880.db2.gz YEYKLAQKEYLVIA-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(NCCNc1ccncc1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000426534868 210154761 /nfs/dbraw/zinc/15/47/61/210154761.db2.gz YWCSHEYJMHFEBT-IRXDYDNUSA-N 1 3 347.463 0.592 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354790341 299128038 /nfs/dbraw/zinc/12/80/38/299128038.db2.gz MKFXSLIHADNFMT-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)[C@@H]2C1 ZINC000425404375 210054002 /nfs/dbraw/zinc/05/40/02/210054002.db2.gz PSMXZJQILDFJDX-MWDXBVQZSA-N 1 3 348.491 0.482 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)[C@@H]2C1 ZINC000425404375 210054004 /nfs/dbraw/zinc/05/40/04/210054004.db2.gz PSMXZJQILDFJDX-MWDXBVQZSA-N 1 3 348.491 0.482 20 0 ECADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423203768 209712312 /nfs/dbraw/zinc/71/23/12/209712312.db2.gz NJZHJBMVPMOOBS-UHFFFAOYSA-N 1 3 334.464 0.774 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355884781 299315191 /nfs/dbraw/zinc/31/51/91/299315191.db2.gz XGOUHJKNBXYMKW-ZBFHGGJFSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420286873 209347732 /nfs/dbraw/zinc/34/77/32/209347732.db2.gz FWAXADHNQMNGEV-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000420129484 209315325 /nfs/dbraw/zinc/31/53/25/209315325.db2.gz VDBFTWDLPAUKOB-HNNXBMFYSA-N 1 3 326.485 0.810 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000420117262 209312001 /nfs/dbraw/zinc/31/20/01/209312001.db2.gz HDYTUFJKHPGMQN-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000420117262 209312004 /nfs/dbraw/zinc/31/20/04/209312004.db2.gz HDYTUFJKHPGMQN-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000420113353 209310355 /nfs/dbraw/zinc/31/03/55/209310355.db2.gz IIDAYECURJNACB-DZGCQCFKSA-N 1 3 336.436 0.284 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420107173 209308043 /nfs/dbraw/zinc/30/80/43/209308043.db2.gz ALUSLOSIIZIBKO-HOTGVXAUSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420029403 209283028 /nfs/dbraw/zinc/28/30/28/209283028.db2.gz NRVCQGOCQTXAFT-CWRNSKLLSA-N 1 3 330.432 0.040 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420029403 209283032 /nfs/dbraw/zinc/28/30/32/209283032.db2.gz NRVCQGOCQTXAFT-CWRNSKLLSA-N 1 3 330.432 0.040 20 0 ECADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420017146 209278434 /nfs/dbraw/zinc/27/84/34/209278434.db2.gz UTPLGOMNBZYBGV-CYBMUJFWSA-N 1 3 340.493 0.882 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419959990 209261939 /nfs/dbraw/zinc/26/19/39/209261939.db2.gz DSOKFWXBIIBRET-GDBMZVCRSA-N 1 3 338.496 0.858 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419959990 209261942 /nfs/dbraw/zinc/26/19/42/209261942.db2.gz DSOKFWXBIIBRET-GDBMZVCRSA-N 1 3 338.496 0.858 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419944048 209256063 /nfs/dbraw/zinc/25/60/63/209256063.db2.gz AEXDFLAPXMKMHU-CQSZACIVSA-N 1 3 334.464 0.808 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCSC1 ZINC000419592864 209134455 /nfs/dbraw/zinc/13/44/55/209134455.db2.gz XKBDZCHLNRTRPY-HOTGVXAUSA-N 1 3 342.509 0.046 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419899005 209243324 /nfs/dbraw/zinc/24/33/24/209243324.db2.gz QBXNPBVDTYHHCU-GJZGRUSLSA-N 1 3 342.484 0.189 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000419870849 209232824 /nfs/dbraw/zinc/23/28/24/209232824.db2.gz DUVFVCATSFCXFG-HNNXBMFYSA-N 1 3 348.447 0.064 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419839699 209220127 /nfs/dbraw/zinc/22/01/27/209220127.db2.gz HTSYRWOIBQPHBH-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419836920 209218954 /nfs/dbraw/zinc/21/89/54/209218954.db2.gz YRBKTYAQVKGVQL-UHFFFAOYSA-N 1 3 332.448 0.574 20 0 ECADHO CC(C)C[C@H](CNC(=O)C(=O)NCC[NH3+])N[C@H](C)c1ccccc1 ZINC000419831196 209216314 /nfs/dbraw/zinc/21/63/14/209216314.db2.gz HBTJAPHKOPJQSI-GDBMZVCRSA-N 1 3 334.464 0.943 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419802206 209209078 /nfs/dbraw/zinc/20/90/78/209209078.db2.gz AMDOYELCWXUWLU-IRXDYDNUSA-N 1 3 344.459 0.717 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419802206 209209082 /nfs/dbraw/zinc/20/90/82/209209082.db2.gz AMDOYELCWXUWLU-IRXDYDNUSA-N 1 3 344.459 0.717 20 0 ECADHO CO[C@@H]1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H](CN)C1 ZINC000419794107 209206381 /nfs/dbraw/zinc/20/63/81/209206381.db2.gz DPQSXEACKRQGCE-HUUCEWRRSA-N 1 3 342.484 0.186 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419769230 209202073 /nfs/dbraw/zinc/20/20/73/209202073.db2.gz DLFPAWPQZOBREK-UONOGXRCSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)N1CCN(C)CC1 ZINC000356280863 299373859 /nfs/dbraw/zinc/37/38/59/299373859.db2.gz NRWVETALTPUNRG-KRWDZBQOSA-N 1 3 348.495 0.487 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419728881 209190929 /nfs/dbraw/zinc/19/09/29/209190929.db2.gz ZEQLJQUNDXFHFS-QGZVFWFLSA-N 1 3 346.475 0.867 20 0 ECADHO [NH3+][C@@H](CNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419726427 209188714 /nfs/dbraw/zinc/18/87/14/209188714.db2.gz UOFPTQFPRZLQHH-KRWDZBQOSA-N 1 3 344.459 0.621 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)C1 ZINC000419699737 209177623 /nfs/dbraw/zinc/17/76/23/209177623.db2.gz RNHQDXGSKJDIEM-HZPDHXFCSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419696997 209175691 /nfs/dbraw/zinc/17/56/91/209175691.db2.gz NIPMWQKUUGFLSW-MRXNPFEDSA-N 1 3 338.496 0.871 20 0 ECADHO CC(=O)[C@](C)(O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000450420490 211324394 /nfs/dbraw/zinc/32/43/94/211324394.db2.gz KCDNAJIBOMKQSN-GOSISDBHSA-N 1 3 341.496 0.742 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000448244931 211234574 /nfs/dbraw/zinc/23/45/74/211234574.db2.gz WMDLMRKNRIXDKF-HZPDHXFCSA-N 1 3 332.448 0.780 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000448244931 211234577 /nfs/dbraw/zinc/23/45/77/211234577.db2.gz WMDLMRKNRIXDKF-HZPDHXFCSA-N 1 3 332.448 0.780 20 0 ECADHO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]1CN1CCCC1 ZINC000433391754 284773768 /nfs/dbraw/zinc/77/37/68/284773768.db2.gz WZOGCGGAUARNMU-LSDHHAIUSA-N 1 3 332.452 0.903 20 0 ECADHO COCCN1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000154974759 285012186 /nfs/dbraw/zinc/01/21/86/285012186.db2.gz BKHJRASLNFWIGH-QGZVFWFLSA-N 1 3 339.480 0.857 20 0 ECADHO COCCN1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000154974759 285012187 /nfs/dbraw/zinc/01/21/87/285012187.db2.gz BKHJRASLNFWIGH-QGZVFWFLSA-N 1 3 339.480 0.857 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000419023925 296384087 /nfs/dbraw/zinc/38/40/87/296384087.db2.gz KKLLHSFSNSXKHR-RBSFLKMASA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccncc1OCCN(C)C ZINC000418192248 208784836 /nfs/dbraw/zinc/78/48/36/208784836.db2.gz MEEXVMXVGDBLJP-ZFWWWQNUSA-N 1 3 335.452 0.819 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419027564 208951343 /nfs/dbraw/zinc/95/13/43/208951343.db2.gz OVCCPDHNJRINNL-ZQDZILKHSA-N 1 3 326.485 0.441 20 0 ECADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419433979 209093655 /nfs/dbraw/zinc/09/36/55/209093655.db2.gz ZWYDELVARXGFHN-KRWDZBQOSA-N 1 3 344.459 0.419 20 0 ECADHO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000269244874 255551913 /nfs/dbraw/zinc/55/19/13/255551913.db2.gz DAYPRQKJECHZGG-HZPDHXFCSA-N 1 3 331.464 0.837 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC000419249088 209041539 /nfs/dbraw/zinc/04/15/39/209041539.db2.gz YWVTVLNTMNQFFU-UHFFFAOYSA-N 1 3 330.432 0.507 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419336563 209063078 /nfs/dbraw/zinc/06/30/78/209063078.db2.gz PQRYNWYFQLNWLK-PBHICJAKSA-N 1 3 344.459 0.573 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C[C@H]1[NH3+] ZINC000419419311 209089847 /nfs/dbraw/zinc/08/98/47/209089847.db2.gz JDRQNBIVONLNKB-RHSMWYFYSA-N 1 3 344.459 0.357 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419416440 209087981 /nfs/dbraw/zinc/08/79/81/209087981.db2.gz HFIJBXFOHGFOLO-KRWDZBQOSA-N 1 3 346.475 0.651 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@H]1CN ZINC000419830460 299818702 /nfs/dbraw/zinc/81/87/02/299818702.db2.gz WFZJPHSZQCFKKK-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO CNC(=O)[C@@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000255041733 165210276 /nfs/dbraw/zinc/21/02/76/165210276.db2.gz HDNYEKLVNRILQR-JGPFYOFESA-N 1 3 336.480 0.459 20 0 ECADHO CNC(=O)[C@@H]1CCCN(C/C=C\C[N@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000255041733 165210278 /nfs/dbraw/zinc/21/02/78/165210278.db2.gz HDNYEKLVNRILQR-JGPFYOFESA-N 1 3 336.480 0.459 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N(C)C ZINC000261662577 165222673 /nfs/dbraw/zinc/22/26/73/165222673.db2.gz BDJPIQDTRVPEPO-BZUAXINKSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1CN(CC2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)C[C@H](C)O1 ZINC000261864097 165253615 /nfs/dbraw/zinc/25/36/15/165253615.db2.gz SLXVFQLQCLNDSA-DIECFANBSA-N 1 3 339.480 0.841 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262281377 165321882 /nfs/dbraw/zinc/32/18/82/165321882.db2.gz NXUCETCXWZEKDN-DIECFANBSA-N 1 3 333.480 0.960 20 0 ECADHO C[C@@H](C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)C1C[NH2+]C1 ZINC000262356758 165336870 /nfs/dbraw/zinc/33/68/70/165336870.db2.gz JRMMAJUTJPIVAZ-LLVKDONJSA-N 1 3 332.404 0.950 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262411819 165347117 /nfs/dbraw/zinc/34/71/17/165347117.db2.gz ABSGEHTWFBXGTP-LSDHHAIUSA-N 1 3 335.452 0.648 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[C@H]1CN ZINC000423718428 287321925 /nfs/dbraw/zinc/32/19/25/287321925.db2.gz BYXOAYHEGACNCA-PMPSAXMXSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[C@H]1CN ZINC000423718428 287321926 /nfs/dbraw/zinc/32/19/26/287321926.db2.gz BYXOAYHEGACNCA-PMPSAXMXSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[C@H]1CN ZINC000423742041 287323589 /nfs/dbraw/zinc/32/35/89/287323589.db2.gz UCYPNOUYAGVOCX-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[C@H]1CN ZINC000423742041 287323591 /nfs/dbraw/zinc/32/35/91/287323591.db2.gz UCYPNOUYAGVOCX-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO CCC[NH2+][C@H](C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000295248646 265056445 /nfs/dbraw/zinc/05/64/45/265056445.db2.gz UCMCHAAOLFOQEW-CQSZACIVSA-N 1 3 334.464 0.982 20 0 ECADHO C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)N(C)C)nc1)[NH+](C)C ZINC000298609714 265266703 /nfs/dbraw/zinc/26/67/03/265266703.db2.gz JMENHKZVGCEBKF-OLZOCXBDSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)nc1)N(C)C ZINC000298609714 265266707 /nfs/dbraw/zinc/26/67/07/265266707.db2.gz JMENHKZVGCEBKF-OLZOCXBDSA-N 1 3 335.452 0.441 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000347967438 276343434 /nfs/dbraw/zinc/34/34/34/276343434.db2.gz NFBZMROEQZEASZ-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000417742557 276384529 /nfs/dbraw/zinc/38/45/29/276384529.db2.gz BHJNOVQXPXEVSL-HOTGVXAUSA-N 1 3 327.517 0.933 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419372741 276765900 /nfs/dbraw/zinc/76/59/00/276765900.db2.gz LKJAUBUTZWMXNG-CQSZACIVSA-N 1 3 344.459 0.009 20 0 ECADHO CC[C@H](C(=O)N[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000360402172 437596178 /nfs/dbraw/zinc/59/61/78/437596178.db2.gz MAGJGQWYBJYYEL-RRFJBIMHSA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000360402172 437596182 /nfs/dbraw/zinc/59/61/82/437596182.db2.gz MAGJGQWYBJYYEL-RRFJBIMHSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000423199318 277749289 /nfs/dbraw/zinc/74/92/89/277749289.db2.gz JRAZMXIRIOKPJL-CVEARBPZSA-N 1 3 338.496 0.905 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423058343 278856851 /nfs/dbraw/zinc/85/68/51/278856851.db2.gz BVUVEOQHQDYFEB-ARFHVFGLSA-N 1 3 338.496 0.618 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H](C[NH2+]C)C2)CC1=O ZINC000247329215 279304072 /nfs/dbraw/zinc/30/40/72/279304072.db2.gz UPTKNTFRSALGRD-OWCLPIDISA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1CN ZINC000418845925 279659472 /nfs/dbraw/zinc/65/94/72/279659472.db2.gz PXAMZMMYLDGBCO-ZFWWWQNUSA-N 1 3 338.496 0.951 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000340215242 437603364 /nfs/dbraw/zinc/60/33/64/437603364.db2.gz RCNMYUDBPBNFPQ-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000340215242 437603367 /nfs/dbraw/zinc/60/33/67/437603367.db2.gz RCNMYUDBPBNFPQ-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000423896194 280273751 /nfs/dbraw/zinc/27/37/51/280273751.db2.gz GLSSIZFMUXBKEE-LXZKKBNFSA-N 1 3 336.480 0.561 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000423896194 280273752 /nfs/dbraw/zinc/27/37/52/280273752.db2.gz GLSSIZFMUXBKEE-LXZKKBNFSA-N 1 3 336.480 0.561 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000340212466 437603747 /nfs/dbraw/zinc/60/37/47/437603747.db2.gz PDVPTRYEWJTEPN-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000340212466 437603751 /nfs/dbraw/zinc/60/37/51/437603751.db2.gz PDVPTRYEWJTEPN-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO CC1(C)CN(CCNC(=O)CCCN2CCC([NH3+])CC2)CCO1 ZINC000433165484 281238565 /nfs/dbraw/zinc/23/85/65/281238565.db2.gz UXTKBSUJBDSUEH-UHFFFAOYSA-N 1 3 326.485 0.417 20 0 ECADHO CN(C)CCN(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621919 289128567 /nfs/dbraw/zinc/12/85/67/289128567.db2.gz UOTJHJKLFWZWCR-LLVKDONJSA-N 1 3 325.379 0.026 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)Cc1ccccc1 ZINC000418857538 289275923 /nfs/dbraw/zinc/27/59/23/289275923.db2.gz ZEKDNWXXWSGNER-MRXNPFEDSA-N 1 3 332.448 0.144 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C[NH+]1CCCC1 ZINC000419839960 289634525 /nfs/dbraw/zinc/63/45/25/289634525.db2.gz ZBPKRJKZQYWWMZ-MCIONIFRSA-N 1 3 340.468 0.064 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3C)C1)CC2 ZINC000410727988 290317383 /nfs/dbraw/zinc/31/73/83/290317383.db2.gz CWIZAZINZUUYRS-VVLHAWIVSA-N 1 3 348.491 0.624 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)CC2 ZINC000410727988 290317384 /nfs/dbraw/zinc/31/73/84/290317384.db2.gz CWIZAZINZUUYRS-VVLHAWIVSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC[N@@H+]1C ZINC000343649451 437616434 /nfs/dbraw/zinc/61/64/34/437616434.db2.gz YRXUJQQPDPOZOO-ILXRZTDVSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC[N@H+]1C ZINC000343649451 437616438 /nfs/dbraw/zinc/61/64/38/437616438.db2.gz YRXUJQQPDPOZOO-ILXRZTDVSA-N 1 3 336.480 0.718 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000332560199 297052713 /nfs/dbraw/zinc/05/27/13/297052713.db2.gz QAERCKTXCMSQJM-KLHDSHLOSA-N 1 3 336.480 0.705 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000332966639 297094131 /nfs/dbraw/zinc/09/41/31/297094131.db2.gz OSFSRLCDFNISNU-ZBFHGGJFSA-N 1 3 349.479 0.171 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000332966639 297094133 /nfs/dbraw/zinc/09/41/33/297094133.db2.gz OSFSRLCDFNISNU-ZBFHGGJFSA-N 1 3 349.479 0.171 20 0 ECADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN2CCC[C@@H]2C1 ZINC000333013580 297100268 /nfs/dbraw/zinc/10/02/68/297100268.db2.gz PXZRRZLXTPEELY-BRWVUGGUSA-N 1 3 336.480 0.854 20 0 ECADHO N[C@@H]1Cc2ccccc2N(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000333602689 297144474 /nfs/dbraw/zinc/14/44/74/297144474.db2.gz QRRURPVTDFTPJG-ZIAGYGMSSA-N 1 3 326.404 0.733 20 0 ECADHO C[C@@]1(F)CNCCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C1 ZINC000333647382 297146402 /nfs/dbraw/zinc/14/64/02/297146402.db2.gz JFOCNGXEFSQPPU-VMBOVVBDSA-N 1 3 341.475 0.546 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000339579466 297361357 /nfs/dbraw/zinc/36/13/57/297361357.db2.gz AVYPVGZTMUPCMA-INIZCTEOSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000339579466 297361358 /nfs/dbraw/zinc/36/13/58/297361358.db2.gz AVYPVGZTMUPCMA-INIZCTEOSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000339580196 297361364 /nfs/dbraw/zinc/36/13/64/297361364.db2.gz HMOUCRWQVKIMBM-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000339580196 297361365 /nfs/dbraw/zinc/36/13/65/297361365.db2.gz HMOUCRWQVKIMBM-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)NC2CCN(C3CC3)CC2)CCCC1 ZINC000339652337 297368930 /nfs/dbraw/zinc/36/89/30/297368930.db2.gz UKLQIPFXWASAJT-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCC1 ZINC000339652638 297369105 /nfs/dbraw/zinc/36/91/05/297369105.db2.gz YNMUYVIRLKAJQT-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343144698 297833302 /nfs/dbraw/zinc/83/33/02/297833302.db2.gz JIBCPTHOWGFOCB-RBSFLKMASA-N 1 3 326.485 0.489 20 0 ECADHO CCN(C)CCNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000344831546 298073561 /nfs/dbraw/zinc/07/35/61/298073561.db2.gz QVMWQVYUINFHTC-UHFFFAOYSA-N 1 3 336.436 0.633 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)c2cnccn2)[C@@H](C)C1 ZINC000346786668 298343460 /nfs/dbraw/zinc/34/34/60/298343460.db2.gz BWMGEYSNBNLIJS-HOTGVXAUSA-N 1 3 349.479 0.933 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)c2cnccn2)[C@@H](C)C1 ZINC000346786668 298343461 /nfs/dbraw/zinc/34/34/61/298343461.db2.gz BWMGEYSNBNLIJS-HOTGVXAUSA-N 1 3 349.479 0.933 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000423694966 298530152 /nfs/dbraw/zinc/53/01/52/298530152.db2.gz BLWYRFBANXXXTH-CVEARBPZSA-N 1 3 338.496 0.763 20 0 ECADHO CCc1ccc([C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000351554486 298785661 /nfs/dbraw/zinc/78/56/61/298785661.db2.gz IPWQMAIWLFUZOH-IRXDYDNUSA-N 1 3 346.475 0.836 20 0 ECADHO CN(C)CCN1CCC([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000352102277 298886214 /nfs/dbraw/zinc/88/62/14/298886214.db2.gz KXLXVUVCLDANEM-HZPDHXFCSA-N 1 3 331.526 0.958 20 0 ECADHO CN(C)CCN1CCC([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352102276 298886280 /nfs/dbraw/zinc/88/62/80/298886280.db2.gz KXLXVUVCLDANEM-HOTGVXAUSA-N 1 3 331.526 0.958 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000362713118 300212306 /nfs/dbraw/zinc/21/23/06/300212306.db2.gz ASQCNGMRLJAUIY-PBHICJAKSA-N 1 3 346.475 0.792 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000362713118 300212310 /nfs/dbraw/zinc/21/23/10/300212310.db2.gz ASQCNGMRLJAUIY-PBHICJAKSA-N 1 3 346.475 0.792 20 0 ECADHO C[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000362896573 300231256 /nfs/dbraw/zinc/23/12/56/300231256.db2.gz LJCHNMNLLPEQMB-SJORKVTESA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000362896573 300231259 /nfs/dbraw/zinc/23/12/59/300231259.db2.gz LJCHNMNLLPEQMB-SJORKVTESA-N 1 3 337.512 0.750 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364723548 300382091 /nfs/dbraw/zinc/38/20/91/300382091.db2.gz KQXZTDHHLSWQDO-JKIFEVAISA-N 1 3 327.469 0.603 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364723548 300382094 /nfs/dbraw/zinc/38/20/94/300382094.db2.gz KQXZTDHHLSWQDO-JKIFEVAISA-N 1 3 327.469 0.603 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000074053287 436103262 /nfs/dbraw/zinc/10/32/62/436103262.db2.gz DHQUKVHBXKJJMN-INIZCTEOSA-N 1 3 327.517 0.899 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000074053287 436103269 /nfs/dbraw/zinc/10/32/69/436103269.db2.gz DHQUKVHBXKJJMN-INIZCTEOSA-N 1 3 327.517 0.899 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1=O ZINC000371226774 300897953 /nfs/dbraw/zinc/89/79/53/300897953.db2.gz CLYSBVYQOSGUNI-OAGGEKHMSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074491357 436130414 /nfs/dbraw/zinc/13/04/14/436130414.db2.gz ZBNMHZFLOIBUFU-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074491357 436130416 /nfs/dbraw/zinc/13/04/16/436130416.db2.gz ZBNMHZFLOIBUFU-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000373122480 301049065 /nfs/dbraw/zinc/04/90/65/301049065.db2.gz LCNRZQUNKFHNEO-WCXIOVBPSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000373122480 301049067 /nfs/dbraw/zinc/04/90/67/301049067.db2.gz LCNRZQUNKFHNEO-WCXIOVBPSA-N 1 3 336.480 0.975 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC000075178741 436156256 /nfs/dbraw/zinc/15/62/56/436156256.db2.gz OHGMLVYPJBOYPM-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC000075178741 436156259 /nfs/dbraw/zinc/15/62/59/436156259.db2.gz OHGMLVYPJBOYPM-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CN(C)C/C=C/C(=O)N(C1CC1)[C@H]1CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000374474313 301110334 /nfs/dbraw/zinc/11/03/34/301110334.db2.gz WLBBAONNPZFIFB-KZQZIPNXSA-N 1 3 348.491 0.814 20 0 ECADHO CN(C)C/C=C/C(=O)N1CC[C@H](N(C(=O)/C=C/C[NH+](C)C)C2CC2)C1 ZINC000374474313 301110335 /nfs/dbraw/zinc/11/03/35/301110335.db2.gz WLBBAONNPZFIFB-KZQZIPNXSA-N 1 3 348.491 0.814 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000375967853 301223885 /nfs/dbraw/zinc/22/38/85/301223885.db2.gz GHCUKXBURYCVGP-QFBILLFUSA-N 1 3 348.491 0.533 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)CC1=O ZINC000376022634 301228142 /nfs/dbraw/zinc/22/81/42/301228142.db2.gz UEFZNZQYFFNPNP-OAGGEKHMSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000076321191 436198940 /nfs/dbraw/zinc/19/89/40/436198940.db2.gz WMDQTJBMOISQEY-IKGGRYGDSA-N 1 3 339.480 0.759 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)C2)CC1 ZINC000519642043 301751256 /nfs/dbraw/zinc/75/12/56/301751256.db2.gz ICHTUUUKXJNCAM-ROUUACIJSA-N 1 3 330.476 0.795 20 0 ECADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(=O)N(C)C ZINC000051760436 436497068 /nfs/dbraw/zinc/49/70/68/436497068.db2.gz ZPAKSEDXVSCPEE-CYBMUJFWSA-N 1 3 339.484 0.321 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000527498002 301863157 /nfs/dbraw/zinc/86/31/57/301863157.db2.gz CLKPGFYLRCISLV-CYBMUJFWSA-N 1 3 338.418 0.822 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1ncc2ccccc2c1=O ZINC000103210860 436554586 /nfs/dbraw/zinc/55/45/86/436554586.db2.gz OQDKLDJQLYXVSV-UHFFFAOYSA-N 1 3 345.447 0.348 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000551039399 302352635 /nfs/dbraw/zinc/35/26/35/302352635.db2.gz PMOHOSXAXPSESU-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]3CNCCO3)nc2)CC1 ZINC000269306628 436657105 /nfs/dbraw/zinc/65/71/05/436657105.db2.gz UAAQJZPGAPYYSX-MRXNPFEDSA-N 1 3 347.463 0.929 20 0 ECADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)[C@@H]2CCC[C@@H]21 ZINC000552043894 302382487 /nfs/dbraw/zinc/38/24/87/302382487.db2.gz FQTLJWZMUQYHCY-KKUMJFAQSA-N 1 3 342.465 0.556 20 0 ECADHO Cc1c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000237697689 436743500 /nfs/dbraw/zinc/74/35/00/436743500.db2.gz NLHCVABSXWQYLR-SWLSCSKDSA-N 1 3 332.452 0.820 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)NCC[N@H+](C)CC ZINC000155880838 436805694 /nfs/dbraw/zinc/80/56/94/436805694.db2.gz CCAICELNJIXLIF-HZPDHXFCSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000155880838 436805696 /nfs/dbraw/zinc/80/56/96/436805696.db2.gz CCAICELNJIXLIF-HZPDHXFCSA-N 1 3 340.512 0.929 20 0 ECADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262339805 436926392 /nfs/dbraw/zinc/92/63/92/436926392.db2.gz FZYHFCDDYJKBIK-ZWKOTPCHSA-N 1 3 346.475 0.033 20 0 ECADHO CN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000162615019 436910877 /nfs/dbraw/zinc/91/08/77/436910877.db2.gz UWJMXWUDLJKRFF-MSOLQXFVSA-N 1 3 330.476 1.000 20 0 ECADHO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000162615019 436910881 /nfs/dbraw/zinc/91/08/81/436910881.db2.gz UWJMXWUDLJKRFF-MSOLQXFVSA-N 1 3 330.476 1.000 20 0 ECADHO CCN1CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@H](C)C1 ZINC000168908163 436942884 /nfs/dbraw/zinc/94/28/84/436942884.db2.gz FTQUSYPYEDYGPA-QZTJIDSGSA-N 1 3 326.529 0.696 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000286525508 437096574 /nfs/dbraw/zinc/09/65/74/437096574.db2.gz PNNDXBOBVSAZID-CQSZACIVSA-N 1 3 338.452 0.626 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000331483599 437102314 /nfs/dbraw/zinc/10/23/14/437102314.db2.gz XPGQICLFQPBCIJ-QXSJWSMHSA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331502146 437107365 /nfs/dbraw/zinc/10/73/65/437107365.db2.gz LCLPJWNMNYDUDO-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCC3)CC[C@@H]21 ZINC000331688849 437144162 /nfs/dbraw/zinc/14/41/62/437144162.db2.gz UFHCNJRCKGVFBS-PMPSAXMXSA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCC3)CC[C@@H]21 ZINC000331688849 437144167 /nfs/dbraw/zinc/14/41/67/437144167.db2.gz UFHCNJRCKGVFBS-PMPSAXMXSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C1=CCN(C)CC1 ZINC000331686028 437144811 /nfs/dbraw/zinc/14/48/11/437144811.db2.gz SVBOSIKHWUIEQY-USXIJHARSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C1=CCN(C)CC1 ZINC000331686028 437144812 /nfs/dbraw/zinc/14/48/12/437144812.db2.gz SVBOSIKHWUIEQY-USXIJHARSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@@H]1N(C)C ZINC000331689571 437144846 /nfs/dbraw/zinc/14/48/46/437144846.db2.gz WJVYVXCYWWDHBN-BMFZPTHFSA-N 1 3 336.480 0.386 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000331932065 437182030 /nfs/dbraw/zinc/18/20/30/437182030.db2.gz LKVMNRVIAOGGSC-ILXRZTDVSA-N 1 3 336.480 0.291 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N2CCOCC2)[C@H](C)C1 ZINC000177833442 437200388 /nfs/dbraw/zinc/20/03/88/437200388.db2.gz ZHMWXKBRYCMMNU-IAGOWNOFSA-N 1 3 341.496 0.962 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N2CCOCC2)[C@H](C)C1 ZINC000177833442 437200393 /nfs/dbraw/zinc/20/03/93/437200393.db2.gz ZHMWXKBRYCMMNU-IAGOWNOFSA-N 1 3 341.496 0.962 20 0 ECADHO CN(C(=O)c1cn(CC[NH3+])nn1)C1CCN(Cc2ccccc2)CC1 ZINC000311161092 437171019 /nfs/dbraw/zinc/17/10/19/437171019.db2.gz YMLPDYZTFBUVBF-UHFFFAOYSA-N 1 3 342.447 0.973 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000178830732 437233514 /nfs/dbraw/zinc/23/35/14/437233514.db2.gz RWCBQROILMLCRE-UHFFFAOYSA-N 1 3 330.476 0.625 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CN1C1CC1 ZINC000333610786 437277445 /nfs/dbraw/zinc/27/74/45/437277445.db2.gz RXICBUSCNGUMTF-XABYNWHXSA-N 1 3 332.452 0.481 20 0 ECADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333820554 437289392 /nfs/dbraw/zinc/28/93/92/437289392.db2.gz RAEIPCCWWQNMCX-IAGOWNOFSA-N 1 3 335.496 0.692 20 0 ECADHO COc1cc(CNC(=O)C[C@@H](C[NH3+])OC)ccc1OCCN(C)C ZINC000278292878 437301359 /nfs/dbraw/zinc/30/13/59/437301359.db2.gz RDZDRYJGPOIFNB-AWEZNQCLSA-N 1 3 339.436 0.616 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000288724612 437349191 /nfs/dbraw/zinc/34/91/91/437349191.db2.gz TXHIWXWODVVEFG-DOTOQJQBSA-N 1 3 346.475 0.643 20 0 ECADHO CN(C)CCOc1ccccc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289126676 437382259 /nfs/dbraw/zinc/38/22/59/437382259.db2.gz DRIRNGAXURYONR-MRXNPFEDSA-N 1 3 346.475 0.747 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186303738 437470524 /nfs/dbraw/zinc/47/05/24/437470524.db2.gz IMRZRZINVPHFLC-MRXNPFEDSA-N 1 3 327.517 0.853 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000339581955 437473654 /nfs/dbraw/zinc/47/36/54/437473654.db2.gz OWHBOQPXCBRVHM-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CO[C@H](C[NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000290281016 437475564 /nfs/dbraw/zinc/47/55/64/437475564.db2.gz ZLWNLOSYNLFTBS-DLBZAZTESA-N 1 3 334.464 0.455 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339585011 437475734 /nfs/dbraw/zinc/47/57/34/437475734.db2.gz RLWKEPOWHSDDQF-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CNS(=O)(=O)c1cccc([C@H](C)NCC2(O)CC[NH+](C)CC2)c1 ZINC000268978258 437444048 /nfs/dbraw/zinc/44/40/48/437444048.db2.gz JZYKIJAXTWFDRU-ZDUSSCGKSA-N 1 3 341.477 0.702 20 0 ECADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C(C)(C)n1cncn1 ZINC000340472410 437656260 /nfs/dbraw/zinc/65/62/60/437656260.db2.gz ADQSDLWIVSZOMZ-INIZCTEOSA-N 1 3 338.500 0.381 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000340507420 437677810 /nfs/dbraw/zinc/67/78/10/437677810.db2.gz UJKXJWQTIOUPBE-CZUORRHYSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000362950520 437764424 /nfs/dbraw/zinc/76/44/24/437764424.db2.gz DFTMRPXOZOQJCN-QLFBSQMISA-N 1 3 345.509 0.152 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000362950520 437764426 /nfs/dbraw/zinc/76/44/26/437764426.db2.gz DFTMRPXOZOQJCN-QLFBSQMISA-N 1 3 345.509 0.152 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1=NN(C)C(=O)CC1 ZINC000363075133 437767074 /nfs/dbraw/zinc/76/70/74/437767074.db2.gz IJQWKJNNWWHNGU-AWEZNQCLSA-N 1 3 337.468 0.469 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1=NN(C)C(=O)CC1 ZINC000363075133 437767075 /nfs/dbraw/zinc/76/70/75/437767075.db2.gz IJQWKJNNWWHNGU-AWEZNQCLSA-N 1 3 337.468 0.469 20 0 ECADHO CCN1CC[NH+](CCCCNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000363049262 437767104 /nfs/dbraw/zinc/76/71/04/437767104.db2.gz HDSKEZCWDYDUOH-MRXNPFEDSA-N 1 3 326.485 0.241 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000340790315 437735600 /nfs/dbraw/zinc/73/56/00/437735600.db2.gz CVYQAJOIPFVMNR-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000340790315 437735604 /nfs/dbraw/zinc/73/56/04/437735604.db2.gz CVYQAJOIPFVMNR-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340808941 437742277 /nfs/dbraw/zinc/74/22/77/437742277.db2.gz YMDOAPSNKXGCKJ-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340808941 437742278 /nfs/dbraw/zinc/74/22/78/437742278.db2.gz YMDOAPSNKXGCKJ-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000362791580 437755016 /nfs/dbraw/zinc/75/50/16/437755016.db2.gz YKJDGMCUQOQCDH-WMLDXEAASA-N 1 3 346.475 0.792 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000362791580 437755019 /nfs/dbraw/zinc/75/50/19/437755019.db2.gz YKJDGMCUQOQCDH-WMLDXEAASA-N 1 3 346.475 0.792 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423676874 437802170 /nfs/dbraw/zinc/80/21/70/437802170.db2.gz RKBVSJRYBXCRDF-UHFFFAOYSA-N 1 3 346.475 0.917 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000423696344 437805676 /nfs/dbraw/zinc/80/56/76/437805676.db2.gz WZUAGWQTNLPBIC-QGZVFWFLSA-N 1 3 346.475 0.774 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000423696344 437805681 /nfs/dbraw/zinc/80/56/81/437805681.db2.gz WZUAGWQTNLPBIC-QGZVFWFLSA-N 1 3 346.475 0.774 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000341162930 437806700 /nfs/dbraw/zinc/80/67/00/437806700.db2.gz LXTRYGGOLRLUOO-KGLIPLIRSA-N 1 3 337.468 0.110 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000341162930 437806704 /nfs/dbraw/zinc/80/67/04/437806704.db2.gz LXTRYGGOLRLUOO-KGLIPLIRSA-N 1 3 337.468 0.110 20 0 ECADHO O=C(CCOC1C[NH2+]C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423836732 437841220 /nfs/dbraw/zinc/84/12/20/437841220.db2.gz AOIXNUVTTFYGCI-GOSISDBHSA-N 1 3 347.459 0.772 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424033201 437879725 /nfs/dbraw/zinc/87/97/25/437879725.db2.gz XIQKDZHHHFRNTK-BJJXKVORSA-N 1 3 336.411 0.178 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000415789974 437860176 /nfs/dbraw/zinc/86/01/76/437860176.db2.gz OIDCWLQEKMRUMP-UHFFFAOYSA-N 1 3 334.420 0.514 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000423945442 437865300 /nfs/dbraw/zinc/86/53/00/437865300.db2.gz GXPALQFGJKZWLV-OFLPRAFFSA-N 1 3 338.496 0.428 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)NC2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423945442 437865306 /nfs/dbraw/zinc/86/53/06/437865306.db2.gz GXPALQFGJKZWLV-OFLPRAFFSA-N 1 3 338.496 0.428 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)CN2CCOCC2)CC1 ZINC000347696563 437935244 /nfs/dbraw/zinc/93/52/44/437935244.db2.gz DTCFBMLMXNVRFN-DLBZAZTESA-N 1 3 340.512 0.345 20 0 ECADHO COCCNCC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424035032 437881154 /nfs/dbraw/zinc/88/11/54/437881154.db2.gz DNLUVXDAMSASNP-UHFFFAOYSA-N 1 3 334.464 0.332 20 0 ECADHO COCCN1CCC(NC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424140022 437893508 /nfs/dbraw/zinc/89/35/08/437893508.db2.gz AVETZSVWKRLJTA-CYBMUJFWSA-N 1 3 335.452 0.717 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000371231974 437901757 /nfs/dbraw/zinc/90/17/57/437901757.db2.gz YMYNCPFKSUDLTO-KRWDZBQOSA-N 1 3 346.475 0.633 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424518755 437963621 /nfs/dbraw/zinc/96/36/21/437963621.db2.gz IQYRGPPRQHKDGO-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]21 ZINC000342117646 437970364 /nfs/dbraw/zinc/97/03/64/437970364.db2.gz ZAUQXTZTETXTJI-HBNTYKKESA-N 1 3 336.358 0.824 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000417013694 438012524 /nfs/dbraw/zinc/01/25/24/438012524.db2.gz CKJVIXZTQRMWCW-SFHVURJKSA-N 1 3 345.491 0.638 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417201926 438030270 /nfs/dbraw/zinc/03/02/70/438030270.db2.gz WVNPDBDECNAJJW-SJORKVTESA-N 1 3 333.480 0.362 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1CC[NH2+]C1 ZINC000417370900 438042725 /nfs/dbraw/zinc/04/27/25/438042725.db2.gz ULLLXLJKZWVAID-OAHLLOKOSA-N 1 3 332.452 0.255 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417429095 438049049 /nfs/dbraw/zinc/04/90/49/438049049.db2.gz MSBMTINGAXPDDH-GJZGRUSLSA-N 1 3 341.500 0.746 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CCN1C ZINC000348022288 438004303 /nfs/dbraw/zinc/00/43/03/438004303.db2.gz RGAIXYHCPVJMAW-WXLSXGNJSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)CC1 ZINC000342341035 438005304 /nfs/dbraw/zinc/00/53/04/438005304.db2.gz AOYSFHMXQILNLB-JQHSSLGASA-N 1 3 349.523 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)CC1 ZINC000342341035 438005309 /nfs/dbraw/zinc/00/53/09/438005309.db2.gz AOYSFHMXQILNLB-JQHSSLGASA-N 1 3 349.523 0.891 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000416969090 438007879 /nfs/dbraw/zinc/00/78/79/438007879.db2.gz KCNUNYYANIWQLV-MRXNPFEDSA-N 1 3 336.436 0.496 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(CCN(C)C)CC1 ZINC000416984851 438011058 /nfs/dbraw/zinc/01/10/58/438011058.db2.gz YAVUZMWYWIYMEF-HOCLYGCPSA-N 1 3 325.501 0.924 20 0 ECADHO [NH3+][C@H](CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1)C1CC1 ZINC000417982615 438096656 /nfs/dbraw/zinc/09/66/56/438096656.db2.gz BJDAAJHVFDKECQ-DLBZAZTESA-N 1 3 332.448 0.790 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)CN1CCN(C)CC1 ZINC000417756862 438074892 /nfs/dbraw/zinc/07/48/92/438074892.db2.gz SMSXWSPTGKZEFH-RDJZCZTQSA-N 1 3 333.480 0.869 20 0 ECADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccco1 ZINC000418168275 438113843 /nfs/dbraw/zinc/11/38/43/438113843.db2.gz NYFCUCUBVBBPPO-RRFJBIMHSA-N 1 3 337.468 0.912 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000348924944 438116593 /nfs/dbraw/zinc/11/65/93/438116593.db2.gz XAPIKLOWLQCUPP-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000348924944 438116597 /nfs/dbraw/zinc/11/65/97/438116597.db2.gz XAPIKLOWLQCUPP-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccncc1OCCN(C)C ZINC000418195339 438118329 /nfs/dbraw/zinc/11/83/29/438118329.db2.gz PRGVFXGGUGUBMC-OAHLLOKOSA-N 1 3 335.452 0.915 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000430778211 438121234 /nfs/dbraw/zinc/12/12/34/438121234.db2.gz PMYTYHXHHHMFPX-HOCLYGCPSA-N 1 3 325.453 0.372 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]C1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418311753 438128882 /nfs/dbraw/zinc/12/88/82/438128882.db2.gz GCPZXXQHVFRNLZ-HKUYNNGSSA-N 1 3 346.475 0.922 20 0 ECADHO C[NH2+]CCNC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418317090 438129809 /nfs/dbraw/zinc/12/98/09/438129809.db2.gz ABNYPNINGVDESW-GOSISDBHSA-N 1 3 345.491 0.808 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000418460896 438146452 /nfs/dbraw/zinc/14/64/52/438146452.db2.gz IEQGRCMGGMYRTQ-HNNXBMFYSA-N 1 3 341.500 0.700 20 0 ECADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358254741 438189469 /nfs/dbraw/zinc/18/94/69/438189469.db2.gz PWZJIPJFCMIUFQ-UGSOOPFHSA-N 1 3 349.431 0.847 20 0 ECADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358254741 438189472 /nfs/dbraw/zinc/18/94/72/438189472.db2.gz PWZJIPJFCMIUFQ-UGSOOPFHSA-N 1 3 349.431 0.847 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000358130575 438161263 /nfs/dbraw/zinc/16/12/63/438161263.db2.gz MIIPFNVNIGGNHB-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000358130575 438161267 /nfs/dbraw/zinc/16/12/67/438161267.db2.gz MIIPFNVNIGGNHB-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418623637 438168978 /nfs/dbraw/zinc/16/89/78/438168978.db2.gz XHKHYGUPHTZKLS-KFWWJZLASA-N 1 3 326.485 0.861 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418673235 438173930 /nfs/dbraw/zinc/17/39/30/438173930.db2.gz OONREKSKUPNJTJ-ZBRFXRBCSA-N 1 3 344.459 0.386 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000418858292 438220022 /nfs/dbraw/zinc/22/00/22/438220022.db2.gz JAOLKCFNWQTQOY-CVEARBPZSA-N 1 3 332.448 0.745 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000418857078 438220571 /nfs/dbraw/zinc/22/05/71/438220571.db2.gz YACFHUPKQRNKRZ-XIRDDKMYSA-N 1 3 346.475 0.471 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000418865091 438224701 /nfs/dbraw/zinc/22/47/01/438224701.db2.gz LOMVUFMLTHOZAQ-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000418871912 438228272 /nfs/dbraw/zinc/22/82/72/438228272.db2.gz FPMXHPUDCTVBDJ-LPHOPBHVSA-N 1 3 346.475 0.473 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000418872594 438229959 /nfs/dbraw/zinc/22/99/59/438229959.db2.gz WXYOIEGXTYGYTE-DZGCQCFKSA-N 1 3 338.496 0.857 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418876518 438232914 /nfs/dbraw/zinc/23/29/14/438232914.db2.gz MLXPUPSIVUFRHR-HOTGVXAUSA-N 1 3 332.448 0.129 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418882754 438235564 /nfs/dbraw/zinc/23/55/64/438235564.db2.gz ZKADQXCGRNXRTP-SJORKVTESA-N 1 3 346.475 0.391 20 0 ECADHO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC2(C1)CC[NH2+]CC2 ZINC000358496853 438237118 /nfs/dbraw/zinc/23/71/18/438237118.db2.gz JZVLZKPGXPLTIU-SNVBAGLBSA-N 1 3 336.358 0.839 20 0 ECADHO CC(C)(CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)N1CCCCC1 ZINC000418835688 438206347 /nfs/dbraw/zinc/20/63/47/438206347.db2.gz OFCUUTMXXYNDHN-GOSISDBHSA-N 1 3 338.496 0.873 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419029210 438295958 /nfs/dbraw/zinc/29/59/58/438295958.db2.gz RGAUETJAGBCQEQ-SOUVJXGZSA-N 1 3 326.485 0.857 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418934766 438256140 /nfs/dbraw/zinc/25/61/40/438256140.db2.gz AHXMGVVOQOTLOE-BEFAXECRSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)N(C)Cc1ccccc1 ZINC000418949887 438262772 /nfs/dbraw/zinc/26/27/72/438262772.db2.gz QEWXEWSDXBNYCX-ZMSDIMECSA-N 1 3 346.475 0.819 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000418981731 438271846 /nfs/dbraw/zinc/27/18/46/438271846.db2.gz GYARXTOKDUOIAM-GVDBMIGSSA-N 1 3 344.459 0.560 20 0 ECADHO CN(CCCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418996037 438276898 /nfs/dbraw/zinc/27/68/98/438276898.db2.gz JPIKVAZUMFHYTC-INIZCTEOSA-N 1 3 346.475 0.741 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000419010117 438284234 /nfs/dbraw/zinc/28/42/34/438284234.db2.gz XEUIHCWJJOCIQV-QGZVFWFLSA-N 1 3 344.459 0.752 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017153 438286508 /nfs/dbraw/zinc/28/65/08/438286508.db2.gz AOULGUMHJUPYMI-CABCVRRESA-N 1 3 336.480 0.649 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419018810 438288172 /nfs/dbraw/zinc/28/81/72/438288172.db2.gz CORUFLNHUIQDAS-GJROSEKXSA-N 1 3 338.496 0.855 20 0 ECADHO NC[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000358744354 438294180 /nfs/dbraw/zinc/29/41/80/438294180.db2.gz OFYLNWDHVONPPY-UKRRQHHQSA-N 1 3 336.411 0.182 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000351723130 438326766 /nfs/dbraw/zinc/32/67/66/438326766.db2.gz QLLMRORKPNLOMP-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000419118606 438328760 /nfs/dbraw/zinc/32/87/60/438328760.db2.gz WZTAUWIJNCHVPD-HUUCEWRRSA-N 1 3 334.464 0.595 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000351789291 438340345 /nfs/dbraw/zinc/34/03/45/438340345.db2.gz LDHMQFOLYLLGBU-MRXNPFEDSA-N 1 3 338.496 0.731 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419139140 438342086 /nfs/dbraw/zinc/34/20/86/438342086.db2.gz SAXXWHWKVJUFLB-XDQVBPFNSA-N 1 3 340.468 0.205 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1=CCN(C)CC1 ZINC000358825114 438309157 /nfs/dbraw/zinc/30/91/57/438309157.db2.gz LEBFGRIUKCNTIH-KBPBESRZSA-N 1 3 338.496 0.846 20 0 ECADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420161833 438390804 /nfs/dbraw/zinc/39/08/04/438390804.db2.gz HCAJEBOFGRIAQH-GJZGRUSLSA-N 1 3 336.480 0.792 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419174372 438349519 /nfs/dbraw/zinc/34/95/19/438349519.db2.gz VLGSKEYRXKZLON-OWCLPIDISA-N 1 3 338.496 0.953 20 0 ECADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000419431308 438357861 /nfs/dbraw/zinc/35/78/61/438357861.db2.gz XIFGNKOXYZLZHD-HZPDHXFCSA-N 1 3 330.432 0.499 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH3+])CCN1Cc1ccccc1 ZINC000419656108 438364180 /nfs/dbraw/zinc/36/41/80/438364180.db2.gz IAYARPNDXPYIKD-ZBFHGGJFSA-N 1 3 332.448 0.621 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419683349 438366121 /nfs/dbraw/zinc/36/61/21/438366121.db2.gz UNEANKRDRTUFBS-UHFFFAOYSA-N 1 3 338.496 0.827 20 0 ECADHO CCN1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000378286077 438370674 /nfs/dbraw/zinc/37/06/74/438370674.db2.gz AWTLBENAGNMOOZ-UHFFFAOYSA-N 1 3 325.501 0.750 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420056488 438386520 /nfs/dbraw/zinc/38/65/20/438386520.db2.gz IOCCVKUUBCJKSV-CHWSQXEVSA-N 1 3 328.457 0.014 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389986574 438429791 /nfs/dbraw/zinc/42/97/91/438429791.db2.gz MJWQLCMSUSMMMI-LESCRADOSA-N 1 3 346.475 0.723 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389986574 438429793 /nfs/dbraw/zinc/42/97/93/438429793.db2.gz MJWQLCMSUSMMMI-LESCRADOSA-N 1 3 346.475 0.723 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000420785369 438439353 /nfs/dbraw/zinc/43/93/53/438439353.db2.gz ASFYYXFCOUZVSS-HNNXBMFYSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000420793617 438440199 /nfs/dbraw/zinc/44/01/99/438440199.db2.gz KUXWUDLNKHZKCC-HUUCEWRRSA-N 1 3 339.484 0.309 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000420793617 438440202 /nfs/dbraw/zinc/44/02/02/438440202.db2.gz KUXWUDLNKHZKCC-HUUCEWRRSA-N 1 3 339.484 0.309 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000359260196 438395784 /nfs/dbraw/zinc/39/57/84/438395784.db2.gz BOLOOFLESJWDTC-HZPDHXFCSA-N 1 3 340.512 0.927 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000359260196 438395787 /nfs/dbraw/zinc/39/57/87/438395787.db2.gz BOLOOFLESJWDTC-HZPDHXFCSA-N 1 3 340.512 0.927 20 0 ECADHO CCN(CCNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1CC1 ZINC000359274705 438402008 /nfs/dbraw/zinc/40/20/08/438402008.db2.gz FKNJRJXJJBXYEI-ZDUSSCGKSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@@H]2CC[NH2+]CC2(C)C)C1 ZINC000420360912 438403244 /nfs/dbraw/zinc/40/32/44/438403244.db2.gz LQALYHFTSUGEJG-HZPDHXFCSA-N 1 3 340.512 0.437 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000420628721 438413813 /nfs/dbraw/zinc/41/38/13/438413813.db2.gz PTWLMISLNLMNMP-CQSZACIVSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000369401407 438467816 /nfs/dbraw/zinc/46/78/16/438467816.db2.gz MLXLPHWDZUBNCE-HOTGVXAUSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000398115875 438452249 /nfs/dbraw/zinc/45/22/49/438452249.db2.gz FQPMXFBVBXCJJM-ZBFHGGJFSA-N 1 3 342.447 0.877 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000422089491 438516270 /nfs/dbraw/zinc/51/62/70/438516270.db2.gz ACHTXYPSXDPZMP-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000422112050 438521630 /nfs/dbraw/zinc/52/16/30/438521630.db2.gz YUZUMNSCSOWMHG-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422117370 438522622 /nfs/dbraw/zinc/52/26/22/438522622.db2.gz LRHHXKYXIZWEOY-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422117370 438522625 /nfs/dbraw/zinc/52/26/25/438522625.db2.gz LRHHXKYXIZWEOY-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353714263 438527486 /nfs/dbraw/zinc/52/74/86/438527486.db2.gz UWYUPOUFNSBQQE-MRXNPFEDSA-N 1 3 337.512 0.750 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000353714263 438527490 /nfs/dbraw/zinc/52/74/90/438527490.db2.gz UWYUPOUFNSBQQE-MRXNPFEDSA-N 1 3 337.512 0.750 20 0 ECADHO CN(C)CCn1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)n1 ZINC000353735597 438529755 /nfs/dbraw/zinc/52/97/55/438529755.db2.gz IKRJMXKNLSZDBM-UHFFFAOYSA-N 1 3 327.432 1.385 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)N2CCN(C)CC2)CC1 ZINC000353839184 438542525 /nfs/dbraw/zinc/54/25/25/438542525.db2.gz DYKBIHCVZORQSP-IRXDYDNUSA-N 1 3 339.528 0.012 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422290387 438546238 /nfs/dbraw/zinc/54/62/38/438546238.db2.gz APSZNZRGZBRZJQ-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422290387 438546241 /nfs/dbraw/zinc/54/62/41/438546241.db2.gz APSZNZRGZBRZJQ-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000422434868 438568690 /nfs/dbraw/zinc/56/86/90/438568690.db2.gz QXQSQMAFLHLDLV-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000422434868 438568692 /nfs/dbraw/zinc/56/86/92/438568692.db2.gz QXQSQMAFLHLDLV-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1(C)C ZINC000440984871 438573897 /nfs/dbraw/zinc/57/38/97/438573897.db2.gz SMVKAZHYHVWCFQ-HNNXBMFYSA-N 1 3 337.512 0.796 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1(C)C ZINC000440984871 438573899 /nfs/dbraw/zinc/57/38/99/438573899.db2.gz SMVKAZHYHVWCFQ-HNNXBMFYSA-N 1 3 337.512 0.796 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422484791 438578360 /nfs/dbraw/zinc/57/83/60/438578360.db2.gz CXHFWKCVMCFFIG-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422484791 438578363 /nfs/dbraw/zinc/57/83/63/438578363.db2.gz CXHFWKCVMCFFIG-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410432234 438584563 /nfs/dbraw/zinc/58/45/63/438584563.db2.gz JNFOKIBBQJLLCZ-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410432234 438584565 /nfs/dbraw/zinc/58/45/65/438584565.db2.gz JNFOKIBBQJLLCZ-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO COC[C@H](CCC[NH3+])NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422767013 438604669 /nfs/dbraw/zinc/60/46/69/438604669.db2.gz QSHXJMXYJMWWFW-INIZCTEOSA-N 1 3 334.464 0.679 20 0 ECADHO CC1CN(C(=O)/C=C/CN(C)C)CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000493391343 438623064 /nfs/dbraw/zinc/62/30/64/438623064.db2.gz AAFGVMVZMYNWIZ-CDJQDVQCSA-N 1 3 336.480 0.529 20 0 ECADHO COC[C@@H](CCC[NH3+])NCCNS(=O)(=O)c1ccc(C)s1 ZINC000422990885 438626434 /nfs/dbraw/zinc/62/64/34/438626434.db2.gz AHFWLGAWEVIVBG-GFCCVEGCSA-N 1 3 335.495 0.678 20 0 ECADHO CC(C)C[C@H]([NH2+][C@H](C)C[C@H]1COCCN1)C(=O)NCCN(C)C ZINC000423025000 438629288 /nfs/dbraw/zinc/62/92/88/438629288.db2.gz KONBAXHOJPMAHB-PMPSAXMXSA-N 1 3 328.501 0.436 20 0 ECADHO COC[C@H](CCC[NH3+])N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423046861 438632197 /nfs/dbraw/zinc/63/21/97/438632197.db2.gz GETZPUWWYCYQEM-ZWKOTPCHSA-N 1 3 349.475 0.800 20 0 ECADHO CCS(=O)(=O)N1CC(CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000423056800 438633572 /nfs/dbraw/zinc/63/35/72/438633572.db2.gz GJXIKUONQWHJKH-CZUORRHYSA-N 1 3 325.478 0.816 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H]1C ZINC000410726715 438642872 /nfs/dbraw/zinc/64/28/72/438642872.db2.gz XFMUYFLFWBANHC-QKPAOTATSA-N 1 3 336.480 0.480 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H]1C ZINC000410726715 438642875 /nfs/dbraw/zinc/64/28/75/438642875.db2.gz XFMUYFLFWBANHC-QKPAOTATSA-N 1 3 336.480 0.480 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000410733733 438646829 /nfs/dbraw/zinc/64/68/29/438646829.db2.gz WDCVOBUXBSJHPD-OWCLPIDISA-N 1 3 336.480 0.624 20 0 ECADHO [NH3+]C[C@H]1CCC[C@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422851822 438610526 /nfs/dbraw/zinc/61/05/26/438610526.db2.gz XJGPSQIVPOEXHP-HZPDHXFCSA-N 1 3 331.464 0.837 20 0 ECADHO NC[C@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422851822 438610530 /nfs/dbraw/zinc/61/05/30/438610530.db2.gz XJGPSQIVPOEXHP-HZPDHXFCSA-N 1 3 331.464 0.837 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)N(C)C)cc1 ZINC000423349957 438665438 /nfs/dbraw/zinc/66/54/38/438665438.db2.gz XYJJJECRSBOFDL-MRXNPFEDSA-N 1 3 330.436 0.968 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423368345 438666305 /nfs/dbraw/zinc/66/63/05/438666305.db2.gz NCALBMPDMGOLDY-ZBFHGGJFSA-N 1 3 348.447 0.380 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423388229 438671326 /nfs/dbraw/zinc/67/13/26/438671326.db2.gz NIBTUHHJJXXAKT-HOTGVXAUSA-N 1 3 338.496 0.988 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423388229 438671330 /nfs/dbraw/zinc/67/13/30/438671330.db2.gz NIBTUHHJJXXAKT-HOTGVXAUSA-N 1 3 338.496 0.988 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000423513848 438682092 /nfs/dbraw/zinc/68/20/92/438682092.db2.gz RRHCHVRIPZZNFO-UHFFFAOYSA-N 1 3 326.485 0.633 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)[C@@H](C)C1 ZINC000410793521 438658436 /nfs/dbraw/zinc/65/84/36/438658436.db2.gz RBQGUFWHPBRHGP-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)[C@@H](C)C1 ZINC000410793521 438658440 /nfs/dbraw/zinc/65/84/40/438658440.db2.gz RBQGUFWHPBRHGP-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000454582997 438720738 /nfs/dbraw/zinc/72/07/38/438720738.db2.gz MWNVHZXHOFLYFI-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000454582997 438720740 /nfs/dbraw/zinc/72/07/40/438720740.db2.gz MWNVHZXHOFLYFI-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000574906174 438727826 /nfs/dbraw/zinc/72/78/26/438727826.db2.gz BRDGGPPYNZZKNB-IRXDYDNUSA-N 1 3 332.448 0.939 20 0 ECADHO C[C@H]1CC2(CN1C(=O)C(=O)NCC1(N(C)C)CCC1)CC[NH2+]CC2 ZINC000574982794 438730658 /nfs/dbraw/zinc/73/06/58/438730658.db2.gz LQGUPUNKSRXWIO-AWEZNQCLSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000576809012 438799478 /nfs/dbraw/zinc/79/94/78/438799478.db2.gz VBXIZOXJXKWMTL-HZPDHXFCSA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000558518307 438811747 /nfs/dbraw/zinc/81/17/47/438811747.db2.gz LUULMTYUINXMJJ-AWEZNQCLSA-N 1 3 342.484 0.012 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000577172545 438819174 /nfs/dbraw/zinc/81/91/74/438819174.db2.gz ZJGMPBFTKHKMBS-HIFRSBDPSA-N 1 3 343.427 0.717 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000577172545 438819179 /nfs/dbraw/zinc/81/91/79/438819179.db2.gz ZJGMPBFTKHKMBS-HIFRSBDPSA-N 1 3 343.427 0.717 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000577172545 438819187 /nfs/dbraw/zinc/81/91/87/438819187.db2.gz ZJGMPBFTKHKMBS-HIFRSBDPSA-N 1 3 343.427 0.717 20 0 ECADHO CN1CCN(C[C@H](O)C[NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000577722455 438865047 /nfs/dbraw/zinc/86/50/47/438865047.db2.gz SCDGQMCYUDJFDC-SJORKVTESA-N 1 3 336.480 0.614 20 0 ECADHO CC(C)C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)N[C@H](C)c1ccccc1 ZINC000515525276 438874573 /nfs/dbraw/zinc/87/45/73/438874573.db2.gz LBNJOTGKFMBZOX-GDBMZVCRSA-N 1 3 346.475 0.956 20 0 ECADHO CN1CCN(c2ncccc2C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000516450426 438907965 /nfs/dbraw/zinc/90/79/65/438907965.db2.gz OLUHJGCKMNWPBS-MSOLQXFVSA-N 1 3 345.491 0.690 20 0 ECADHO CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC000565183646 438923326 /nfs/dbraw/zinc/92/33/26/438923326.db2.gz YCJMAZRKPMDOJR-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC000565183646 438923331 /nfs/dbraw/zinc/92/33/31/438923331.db2.gz YCJMAZRKPMDOJR-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000565183646 438923336 /nfs/dbraw/zinc/92/33/36/438923336.db2.gz YCJMAZRKPMDOJR-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000565183646 438923343 /nfs/dbraw/zinc/92/33/43/438923343.db2.gz YCJMAZRKPMDOJR-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H]1CC2(CN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1)CC[NH2+]CC2 ZINC000517025059 438946214 /nfs/dbraw/zinc/94/62/14/438946214.db2.gz QEJKPADNVPFDCY-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000517102711 438949985 /nfs/dbraw/zinc/94/99/85/438949985.db2.gz BIAOKLZVYBFGHY-CQSZACIVSA-N 1 3 326.485 0.953 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459367034 438959232 /nfs/dbraw/zinc/95/92/32/438959232.db2.gz UYNPVMOCJFZUPU-UONOGXRCSA-N 1 3 326.441 0.359 20 0 ECADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000517342788 438959536 /nfs/dbraw/zinc/95/95/36/438959536.db2.gz YTGWLBFPMHSDKY-UHFFFAOYSA-N 1 3 338.839 0.318 20 0 ECADHO C[C@@H](CNC[C@@H](O)CN1C(=O)c2ccccc2C1=O)C[NH+]1CCCC1 ZINC000517556479 438968900 /nfs/dbraw/zinc/96/89/00/438968900.db2.gz KWHSHTYPIUVBBQ-LSDHHAIUSA-N 1 3 345.443 0.965 20 0 ECADHO C[C@@H](C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)CN1CCCC1 ZINC000517556479 438968905 /nfs/dbraw/zinc/96/89/05/438968905.db2.gz KWHSHTYPIUVBBQ-LSDHHAIUSA-N 1 3 345.443 0.965 20 0 ECADHO CC(C)(N)c1nocc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000565664608 438969555 /nfs/dbraw/zinc/96/95/55/438969555.db2.gz CSWQAIQWEPRVIL-UHFFFAOYSA-N 1 3 335.452 0.815 20 0 ECADHO CC(C)(N)c1nocc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000565664608 438969556 /nfs/dbraw/zinc/96/95/56/438969556.db2.gz CSWQAIQWEPRVIL-UHFFFAOYSA-N 1 3 335.452 0.815 20 0 ECADHO CCN1CCC[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000517577483 438970080 /nfs/dbraw/zinc/97/00/80/438970080.db2.gz ZYLWIYCMYFCYIO-HZPDHXFCSA-N 1 3 326.485 0.863 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579341910 438998343 /nfs/dbraw/zinc/99/83/43/438998343.db2.gz FILZZHGQGMAIFT-GASCZTMLSA-N 1 3 334.464 0.141 20 0 ECADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000460010917 439055435 /nfs/dbraw/zinc/05/54/35/439055435.db2.gz HOINMACZHZRGNW-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000460010917 439055441 /nfs/dbraw/zinc/05/54/41/439055441.db2.gz HOINMACZHZRGNW-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C(=O)NCCN(C)C ZINC000566462238 439057563 /nfs/dbraw/zinc/05/75/63/439057563.db2.gz MMCHBSYPMFCFPE-CQSZACIVSA-N 1 3 334.464 0.587 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000460017175 439058091 /nfs/dbraw/zinc/05/80/91/439058091.db2.gz NCGNANWBQNQTMS-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000460038836 439063340 /nfs/dbraw/zinc/06/33/40/439063340.db2.gz ITVYAAYIGCLIHS-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CC(C)CN1CCC(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC000602475588 439095181 /nfs/dbraw/zinc/09/51/81/439095181.db2.gz PJEVLAKPFSTOAT-QFIPXVFZSA-N 1 3 329.510 0.724 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C[C@H]12 ZINC000580541161 439101607 /nfs/dbraw/zinc/10/16/07/439101607.db2.gz FTTYXACMJHRNGX-FXUDXRNXSA-N 1 3 334.464 0.269 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000580549693 439103244 /nfs/dbraw/zinc/10/32/44/439103244.db2.gz FBDHQJBGLCQJCK-SFHVURJKSA-N 1 3 330.476 0.918 20 0 ECADHO COCCN1CC[C@H](NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000521040038 439103254 /nfs/dbraw/zinc/10/32/54/439103254.db2.gz XMIUDPTWHNAPRZ-DOTOQJQBSA-N 1 3 332.448 0.975 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460062494 439069186 /nfs/dbraw/zinc/06/91/86/439069186.db2.gz MNBRGHHZHONOSE-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)C2)C1 ZINC000460080673 439076742 /nfs/dbraw/zinc/07/67/42/439076742.db2.gz WHCBVSCHNFHLDC-VQIMIIECSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)C2)C1 ZINC000460080673 439076747 /nfs/dbraw/zinc/07/67/47/439076747.db2.gz WHCBVSCHNFHLDC-VQIMIIECSA-N 1 3 348.491 0.627 20 0 ECADHO CN(C)C1(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CCCCC1 ZINC000602430065 439083492 /nfs/dbraw/zinc/08/34/92/439083492.db2.gz KIRFVLRLBNPUBP-QFIPXVFZSA-N 1 3 329.510 0.868 20 0 ECADHO COC(=O)CCN1CCC[C@H](N2CCC3(C2)CC[NH+](C)CC3)C1=O ZINC000602878396 439150197 /nfs/dbraw/zinc/15/01/97/439150197.db2.gz RJZDDONJQUEJFW-HNNXBMFYSA-N 1 3 337.464 0.958 20 0 ECADHO CC(C)N(C)CC(=O)N1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000487581976 439155893 /nfs/dbraw/zinc/15/58/93/439155893.db2.gz KSGDOXWLZWEPIZ-UHFFFAOYSA-N 1 3 326.485 0.728 20 0 ECADHO CC(C)N(C)CC(=O)N1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000487581976 439155896 /nfs/dbraw/zinc/15/58/96/439155896.db2.gz KSGDOXWLZWEPIZ-UHFFFAOYSA-N 1 3 326.485 0.728 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000581145619 439176262 /nfs/dbraw/zinc/17/62/62/439176262.db2.gz HQMRLKDXNZCPBQ-GVDBMIGSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000581145619 439176266 /nfs/dbraw/zinc/17/62/66/439176266.db2.gz HQMRLKDXNZCPBQ-GVDBMIGSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000581145617 439176562 /nfs/dbraw/zinc/17/65/62/439176562.db2.gz HQMRLKDXNZCPBQ-BBWFWOEESA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000581145617 439176567 /nfs/dbraw/zinc/17/65/67/439176567.db2.gz HQMRLKDXNZCPBQ-BBWFWOEESA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581203220 439184274 /nfs/dbraw/zinc/18/42/74/439184274.db2.gz ZOXKYQHLTNNMIZ-LJISPDSOSA-N 1 3 337.468 0.203 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581203220 439184278 /nfs/dbraw/zinc/18/42/78/439184278.db2.gz ZOXKYQHLTNNMIZ-LJISPDSOSA-N 1 3 337.468 0.203 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000581385255 439207169 /nfs/dbraw/zinc/20/71/69/439207169.db2.gz UYGQXNXJRPKBKR-HOCLYGCPSA-N 1 3 338.496 0.633 20 0 ECADHO CCN1CCN(CCC(=O)N2CCNC[C@H]2c2ccncc2)CC1 ZINC000582304332 439316147 /nfs/dbraw/zinc/31/61/47/439316147.db2.gz JYZYAAUTFQNFHQ-KRWDZBQOSA-N 1 3 331.464 0.582 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCNC[C@H]2c2ccncc2)CC1 ZINC000582304332 439316152 /nfs/dbraw/zinc/31/61/52/439316152.db2.gz JYZYAAUTFQNFHQ-KRWDZBQOSA-N 1 3 331.464 0.582 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569334071 439323100 /nfs/dbraw/zinc/32/31/00/439323100.db2.gz WLLLXZUXVPETIQ-KGLIPLIRSA-N 1 3 347.454 0.556 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582350623 439324190 /nfs/dbraw/zinc/32/41/90/439324190.db2.gz DUYVWTKPXIUCGU-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO CCN1CCN(CCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592961836 439324368 /nfs/dbraw/zinc/32/43/68/439324368.db2.gz QVVUQQQRXPKJAH-AWEZNQCLSA-N 1 3 334.468 0.087 20 0 ECADHO O=C(C(=O)N1CC[C@@H](N2CCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000582108108 439291639 /nfs/dbraw/zinc/29/16/39/439291639.db2.gz RTLZPAPRVMJSBP-DLBZAZTESA-N 1 3 348.491 0.627 20 0 ECADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582121495 439293339 /nfs/dbraw/zinc/29/33/39/439293339.db2.gz RGFHDDITLYZJCG-RRFJBIMHSA-N 1 3 337.468 0.107 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000569699415 439354352 /nfs/dbraw/zinc/35/43/52/439354352.db2.gz YOLJFAFKYRFAJN-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCCN(C4CCCC4)CC3)C[C@@H]12 ZINC000569713560 439356717 /nfs/dbraw/zinc/35/67/17/439356717.db2.gz UQXYIUAOPRKQNV-DJIMGWMZSA-N 1 3 348.491 0.659 20 0 ECADHO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000582719663 439372627 /nfs/dbraw/zinc/37/26/27/439372627.db2.gz AVUAUVGHRBRRNF-RDJZCZTQSA-N 1 3 333.480 0.690 20 0 ECADHO CN(C)CCn1c2cc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)ccc2oc1=O ZINC000582727436 439373195 /nfs/dbraw/zinc/37/31/95/439373195.db2.gz ACYJCRZILXGQNG-DIFFPNOSSA-N 1 3 330.388 0.847 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)C1 ZINC000606703892 439420758 /nfs/dbraw/zinc/42/07/58/439420758.db2.gz HRMGVYTWHDHXGC-ZWKOTPCHSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000606703892 439420760 /nfs/dbraw/zinc/42/07/60/439420760.db2.gz HRMGVYTWHDHXGC-ZWKOTPCHSA-N 1 3 349.523 0.892 20 0 ECADHO O=C(NC[C@H]1CNCCO1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000570547184 439430359 /nfs/dbraw/zinc/43/03/59/439430359.db2.gz XJPTYGCIHNEDQV-GOSISDBHSA-N 1 3 346.475 0.981 20 0 ECADHO CN1CCN(CC[NH2+]C[C@H](O)COC2CCOCC2)CC1(C)C ZINC000570795010 439451305 /nfs/dbraw/zinc/45/13/05/439451305.db2.gz KRSLTMQDWXBLMJ-HNNXBMFYSA-N 1 3 329.485 0.159 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000593907687 439491851 /nfs/dbraw/zinc/49/18/51/439491851.db2.gz ROPMZUGFCMVBMB-CVEARBPZSA-N 1 3 337.464 0.908 20 0 ECADHO O=c1n(CCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc2ccccn21 ZINC000530243705 439493595 /nfs/dbraw/zinc/49/35/95/439493595.db2.gz XNRVLDKOTKMZRC-INIZCTEOSA-N 1 3 345.447 0.587 20 0 ECADHO C[N@H+]1C[C@H]2CN(C(=O)[C@@]3(O)CCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000571975939 439545622 /nfs/dbraw/zinc/54/56/22/439545622.db2.gz ZGLDGFNJGTUWHY-ZIFCJYIRSA-N 1 3 329.444 0.643 20 0 ECADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(O)CCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000571975939 439545625 /nfs/dbraw/zinc/54/56/25/439545625.db2.gz ZGLDGFNJGTUWHY-ZIFCJYIRSA-N 1 3 329.444 0.643 20 0 ECADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(=O)NC ZINC000584181886 439561918 /nfs/dbraw/zinc/56/19/18/439561918.db2.gz LFICSAYWFDKLDX-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCCCO1 ZINC000584673731 439606975 /nfs/dbraw/zinc/60/69/75/439606975.db2.gz ALBWCAPDROJWMG-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CCn1nc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)ccc1=O ZINC000600078159 439609731 /nfs/dbraw/zinc/60/97/31/439609731.db2.gz HMJAZHAZKZRUCB-OAHLLOKOSA-N 1 3 349.479 0.751 20 0 ECADHO CCn1nc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)ccc1=O ZINC000600078159 439609735 /nfs/dbraw/zinc/60/97/35/439609735.db2.gz HMJAZHAZKZRUCB-OAHLLOKOSA-N 1 3 349.479 0.751 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)CCN2C1=O ZINC000572901311 439614575 /nfs/dbraw/zinc/61/45/75/439614575.db2.gz JBHFMSMUOYZPKI-XHSDSOJGSA-N 1 3 345.447 0.420 20 0 ECADHO O=C(NC1CC(N2CCCCC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000573321896 439639764 /nfs/dbraw/zinc/63/97/64/439639764.db2.gz CIQFVWYJOZSCQS-NFOMZHRRSA-N 1 3 332.452 0.777 20 0 ECADHO CN1CCC[C@@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000594978184 439645791 /nfs/dbraw/zinc/64/57/91/439645791.db2.gz RDVPVUOVQLINRQ-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCC[C@@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000594978184 439645793 /nfs/dbraw/zinc/64/57/93/439645793.db2.gz RDVPVUOVQLINRQ-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO CCOC(=O)CC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573479506 439648998 /nfs/dbraw/zinc/64/89/98/439648998.db2.gz YOWUNXRTFFSWRN-ARFHVFGLSA-N 1 3 328.453 0.658 20 0 ECADHO COC(=O)[C@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)Cc2ccccc21 ZINC000600770856 439701392 /nfs/dbraw/zinc/70/13/92/439701392.db2.gz CYVIUUQWFUOOMY-PBHICJAKSA-N 1 3 345.443 0.956 20 0 ECADHO COC(=O)[C@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)Cc2ccccc21 ZINC000600770856 439701396 /nfs/dbraw/zinc/70/13/96/439701396.db2.gz CYVIUUQWFUOOMY-PBHICJAKSA-N 1 3 345.443 0.956 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000611957603 439738726 /nfs/dbraw/zinc/73/87/26/439738726.db2.gz WXBAEHNPMKJHNX-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000611957603 439738728 /nfs/dbraw/zinc/73/87/28/439738728.db2.gz WXBAEHNPMKJHNX-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH2+]CCCNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612911095 439745613 /nfs/dbraw/zinc/74/56/13/439745613.db2.gz DXFYCLZDGIQUOF-AWEZNQCLSA-N 1 3 349.483 0.318 20 0 ECADHO C[C@H](C[NH3+])NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612915628 439746035 /nfs/dbraw/zinc/74/60/35/439746035.db2.gz JMWDHFJQQKZPJT-OLZOCXBDSA-N 1 3 335.456 0.056 20 0 ECADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000662747912 439871356 /nfs/dbraw/zinc/87/13/56/439871356.db2.gz GIUQWLMNPZKDGD-ZWKOTPCHSA-N 1 3 347.459 0.623 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662759484 439876988 /nfs/dbraw/zinc/87/69/88/439876988.db2.gz YDHNYVOGSUAFMT-KGLIPLIRSA-N 1 3 334.468 0.242 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000662716695 439857826 /nfs/dbraw/zinc/85/78/26/439857826.db2.gz VISZLTLVDLVWLI-ROUUACIJSA-N 1 3 347.459 0.623 20 0 ECADHO CN(CCN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000662721086 439858471 /nfs/dbraw/zinc/85/84/71/439858471.db2.gz QADRMQGHWFAXOD-IYARVYRRSA-N 1 3 330.476 1.000 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000626873840 439924515 /nfs/dbraw/zinc/92/45/15/439924515.db2.gz YAULKORSEZBXOB-UHFFFAOYSA-N 1 3 336.436 0.381 20 0 ECADHO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000626805600 439890090 /nfs/dbraw/zinc/89/00/90/439890090.db2.gz OVJHDSMAKANQRD-UHFFFAOYSA-N 1 3 346.431 0.565 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000652581069 439890444 /nfs/dbraw/zinc/89/04/44/439890444.db2.gz NBJGNOMMSODAFB-UHFFFAOYSA-N 1 3 338.456 0.677 20 0 ECADHO NCCNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652620568 439891542 /nfs/dbraw/zinc/89/15/42/439891542.db2.gz LWGFBLARGQBVDY-UHFFFAOYSA-N 1 3 336.461 0.888 20 0 ECADHO C[NH2+]Cc1ccc(NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)cc1 ZINC000652625482 439895117 /nfs/dbraw/zinc/89/51/17/439895117.db2.gz CBQKKCJYYJZTAT-UHFFFAOYSA-N 1 3 344.419 0.741 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000617507819 439904156 /nfs/dbraw/zinc/90/41/56/439904156.db2.gz KFIKACKZARNOLJ-UONOGXRCSA-N 1 3 336.484 0.308 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000617507819 439904163 /nfs/dbraw/zinc/90/41/63/439904163.db2.gz KFIKACKZARNOLJ-UONOGXRCSA-N 1 3 336.484 0.308 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000626856696 439917235 /nfs/dbraw/zinc/91/72/35/439917235.db2.gz PSXBVDIBBJODCH-HZPDHXFCSA-N 1 3 346.431 0.496 20 0 ECADHO C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631912336 439973196 /nfs/dbraw/zinc/97/31/96/439973196.db2.gz HNKFTGPHWXCIFM-GJZGRUSLSA-N 1 3 346.541 0.873 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000642439842 439980489 /nfs/dbraw/zinc/98/04/89/439980489.db2.gz PFIUGGJFXHSPAL-CABCVRRESA-N 1 3 326.485 0.809 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000642439435 439980541 /nfs/dbraw/zinc/98/05/41/439980541.db2.gz GYPPOOXBLPSOGV-KRWDZBQOSA-N 1 3 344.459 0.897 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626986583 439981161 /nfs/dbraw/zinc/98/11/61/439981161.db2.gz KJRWEZYPJUKGOH-BZUAXINKSA-N 1 3 325.501 0.700 20 0 ECADHO C[C@@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000631840977 439938392 /nfs/dbraw/zinc/93/83/92/439938392.db2.gz XMLNJKGKMBJBFW-HUUCEWRRSA-N 1 3 332.452 0.042 20 0 ECADHO C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1CN ZINC000631840977 439938401 /nfs/dbraw/zinc/93/84/01/439938401.db2.gz XMLNJKGKMBJBFW-HUUCEWRRSA-N 1 3 332.452 0.042 20 0 ECADHO C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1CN ZINC000631840977 439938409 /nfs/dbraw/zinc/93/84/09/439938409.db2.gz XMLNJKGKMBJBFW-HUUCEWRRSA-N 1 3 332.452 0.042 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000636586617 439946406 /nfs/dbraw/zinc/94/64/06/439946406.db2.gz ZLQYZQLPNZUCDU-BBWFWOEESA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000636586617 439946414 /nfs/dbraw/zinc/94/64/14/439946414.db2.gz ZLQYZQLPNZUCDU-BBWFWOEESA-N 1 3 348.491 0.863 20 0 ECADHO CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000626900046 439948154 /nfs/dbraw/zinc/94/81/54/439948154.db2.gz CJNCXGSUECNAGD-AWEZNQCLSA-N 1 3 332.404 0.318 20 0 ECADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC1CNC1 ZINC000642253922 439962167 /nfs/dbraw/zinc/96/21/67/439962167.db2.gz QOWCXMNILODASK-HNNXBMFYSA-N 1 3 330.432 0.103 20 0 ECADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CNC1 ZINC000642253922 439962175 /nfs/dbraw/zinc/96/21/75/439962175.db2.gz QOWCXMNILODASK-HNNXBMFYSA-N 1 3 330.432 0.103 20 0 ECADHO [NH3+]C[C@@H]1CN(S(=O)(=O)CCCN2CCCC2)CC12CCOCC2 ZINC000631941455 440000652 /nfs/dbraw/zinc/00/06/52/440000652.db2.gz XQCNCYYOPNUPTR-OAHLLOKOSA-N 1 3 345.509 0.489 20 0 ECADHO CN(C)CCN1C(=O)C[C@H]([N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)C1=O ZINC000663222931 440038383 /nfs/dbraw/zinc/03/83/83/440038383.db2.gz OPAVBBZDAHUKAG-JCGIZDLHSA-N 1 3 335.448 0.568 20 0 ECADHO CN(C)CCN1C(=O)C[C@H]([N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)C1=O ZINC000663222931 440038390 /nfs/dbraw/zinc/03/83/90/440038390.db2.gz OPAVBBZDAHUKAG-JCGIZDLHSA-N 1 3 335.448 0.568 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000647205827 440019178 /nfs/dbraw/zinc/01/91/78/440019178.db2.gz VFWUWBDOKFAFTA-ZDUSSCGKSA-N 1 3 329.470 0.031 20 0 ECADHO CC(C)N1CCN(C2CCN(C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)CC1 ZINC000627242209 440064060 /nfs/dbraw/zinc/06/40/60/440064060.db2.gz PXQDRBRGMNYJCA-DOTOQJQBSA-N 1 3 337.512 0.937 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000642940141 440066891 /nfs/dbraw/zinc/06/68/91/440066891.db2.gz NFJHPHJTBFZNJO-AWEZNQCLSA-N 1 3 326.485 0.809 20 0 ECADHO C[NH+](C)C1CCN(CCNS(=O)(=O)CCCN2CCCC2)CC1 ZINC000632068217 440069103 /nfs/dbraw/zinc/06/91/03/440069103.db2.gz FLYUXVFQYCRANL-UHFFFAOYSA-N 1 3 346.541 0.418 20 0 ECADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000663488895 440083092 /nfs/dbraw/zinc/08/30/92/440083092.db2.gz VCCFTNWBJYJUIE-INIZCTEOSA-N 1 3 330.432 0.494 20 0 ECADHO FC(F)(F)[C@@H](CNCc1nc2c(s1)CNCC2)N1CC[NH2+]CC1 ZINC000663499916 440086404 /nfs/dbraw/zinc/08/64/04/440086404.db2.gz XJRUEZYCBGCKIH-GFCCVEGCSA-N 1 3 349.426 0.715 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1nc2c(s1)CNCC2 ZINC000663493797 440087656 /nfs/dbraw/zinc/08/76/56/440087656.db2.gz KDRRHNGKXOCQOB-LBPRGKRZSA-N 1 3 337.493 0.608 20 0 ECADHO NC(=O)c1cccc2c1CCN(C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000663511985 440088663 /nfs/dbraw/zinc/08/86/63/440088663.db2.gz DMWRCLAOLFOUHY-CYBMUJFWSA-N 1 3 330.432 0.341 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000627325382 440123165 /nfs/dbraw/zinc/12/31/65/440123165.db2.gz HVRKGRTWLIBEHH-UHFFFAOYSA-N 1 3 336.436 0.050 20 0 ECADHO CC1CCN(CCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663631643 440131401 /nfs/dbraw/zinc/13/14/01/440131401.db2.gz ZQTLJQYZDYKFTF-QGZVFWFLSA-N 1 3 338.496 0.959 20 0 ECADHO CC1CCN(CCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663631643 440131406 /nfs/dbraw/zinc/13/14/06/440131406.db2.gz ZQTLJQYZDYKFTF-QGZVFWFLSA-N 1 3 338.496 0.959 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000643392022 440132839 /nfs/dbraw/zinc/13/28/39/440132839.db2.gz LAYVFWWFDOGMOB-HOCLYGCPSA-N 1 3 338.496 0.774 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627311561 440112993 /nfs/dbraw/zinc/11/29/93/440112993.db2.gz BTLDHPYASASPOM-OKILXGFUSA-N 1 3 326.485 0.666 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627311561 440112999 /nfs/dbraw/zinc/11/29/99/440112999.db2.gz BTLDHPYASASPOM-OKILXGFUSA-N 1 3 326.485 0.666 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC(C)C)CC[C@@H]1[NH3+] ZINC000643482915 440181998 /nfs/dbraw/zinc/18/19/98/440181998.db2.gz WOVGUHBQRAHQPY-CABCVRRESA-N 1 3 326.485 0.618 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000663866569 440187989 /nfs/dbraw/zinc/18/79/89/440187989.db2.gz IHQSOEGSSPPQTQ-IRXDYDNUSA-N 1 3 334.464 0.955 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000663866569 440187993 /nfs/dbraw/zinc/18/79/93/440187993.db2.gz IHQSOEGSSPPQTQ-IRXDYDNUSA-N 1 3 334.464 0.955 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000643498744 440188920 /nfs/dbraw/zinc/18/89/20/440188920.db2.gz OBTKCJLJPBFKAM-ZBFHGGJFSA-N 1 3 336.480 0.659 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000643503552 440188957 /nfs/dbraw/zinc/18/89/57/440188957.db2.gz ZKXIIKPXNLVKBM-DOTOQJQBSA-N 1 3 348.491 0.674 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C[C@@H]21 ZINC000643504171 440190257 /nfs/dbraw/zinc/19/02/57/440190257.db2.gz NTNPBFVHINYIOS-LVQVYYBASA-N 1 3 334.464 0.269 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643511143 440193036 /nfs/dbraw/zinc/19/30/36/440193036.db2.gz BKCOGQUOWIADCF-UHFFFAOYSA-N 1 3 342.484 0.143 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643518714 440198477 /nfs/dbraw/zinc/19/84/77/440198477.db2.gz PKYCXSNMPYTSKZ-KLHDSHLOSA-N 1 3 334.464 0.282 20 0 ECADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647987279 440209584 /nfs/dbraw/zinc/20/95/84/440209584.db2.gz CCOLIYXAASDKAK-HZPDHXFCSA-N 1 3 336.480 0.437 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)[C@@H]1C[NH3+] ZINC000643593331 440217748 /nfs/dbraw/zinc/21/77/48/440217748.db2.gz FBVGBGOHPULDOS-GOEBONIOSA-N 1 3 345.447 0.316 20 0 ECADHO CN1CCC(C[NH2+]C[C@H]2CNc3ccnn3C2)(N2CCOCC2)CC1 ZINC000648043358 440219640 /nfs/dbraw/zinc/21/96/40/440219640.db2.gz UMEIPONJGIOMNN-INIZCTEOSA-N 1 3 348.495 0.311 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000643594598 440220510 /nfs/dbraw/zinc/22/05/10/440220510.db2.gz WSZUZVQZGBXEHS-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627482580 440234387 /nfs/dbraw/zinc/23/43/87/440234387.db2.gz RTVUUSDNSZDSNE-CABCVRRESA-N 1 3 342.484 0.060 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000643531856 440204179 /nfs/dbraw/zinc/20/41/79/440204179.db2.gz PSYBEPHWRRXJFL-JKSUJKDBSA-N 1 3 330.432 0.279 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000627445426 440207979 /nfs/dbraw/zinc/20/79/79/440207979.db2.gz MNALXPUUKRWYJU-HUUCEWRRSA-N 1 3 334.464 0.474 20 0 ECADHO CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000627506721 440244045 /nfs/dbraw/zinc/24/40/45/440244045.db2.gz GOPBWTQYWLQUSC-MRXNPFEDSA-N 1 3 344.459 0.588 20 0 ECADHO CC(C)[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCN(C)CC1 ZINC000654363891 440301455 /nfs/dbraw/zinc/30/14/55/440301455.db2.gz GNDUDBHAXNLZBT-BBWFWOEESA-N 1 3 339.528 0.898 20 0 ECADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654397914 440308788 /nfs/dbraw/zinc/30/87/88/440308788.db2.gz ISUJVUQNUXOKNQ-HRCADAONSA-N 1 3 338.496 0.957 20 0 ECADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654397914 440308793 /nfs/dbraw/zinc/30/87/93/440308793.db2.gz ISUJVUQNUXOKNQ-HRCADAONSA-N 1 3 338.496 0.957 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000664459180 440315327 /nfs/dbraw/zinc/31/53/27/440315327.db2.gz UQESADAOYOYCFS-DZGCQCFKSA-N 1 3 336.484 0.838 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000664459180 440315329 /nfs/dbraw/zinc/31/53/29/440315329.db2.gz UQESADAOYOYCFS-DZGCQCFKSA-N 1 3 336.484 0.838 20 0 ECADHO CNC(=O)C(C)(C)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664497967 440320930 /nfs/dbraw/zinc/32/09/30/440320930.db2.gz QIGCNGZTESOUJW-ZDUSSCGKSA-N 1 3 329.489 0.330 20 0 ECADHO CNC(=O)C(C)(C)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664497967 440320932 /nfs/dbraw/zinc/32/09/32/440320932.db2.gz QIGCNGZTESOUJW-ZDUSSCGKSA-N 1 3 329.489 0.330 20 0 ECADHO C[C@@H](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[NH+]1CCCCC1 ZINC000659481627 440338106 /nfs/dbraw/zinc/33/81/06/440338106.db2.gz MEFDYLFDJSEYFJ-LBPRGKRZSA-N 1 3 336.440 0.705 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659483929 440338791 /nfs/dbraw/zinc/33/87/91/440338791.db2.gz CFOLMFGZRZSUNV-INIZCTEOSA-N 1 3 326.485 0.986 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCCN(C)C ZINC000648842259 440343088 /nfs/dbraw/zinc/34/30/88/440343088.db2.gz LWXVEIQGUUFXIH-KFWWJZLASA-N 1 3 326.485 0.535 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCCN(C)C ZINC000648842259 440343095 /nfs/dbraw/zinc/34/30/95/440343095.db2.gz LWXVEIQGUUFXIH-KFWWJZLASA-N 1 3 326.485 0.535 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N(C)[C@H]3CC[NH2+]C3)ccc2[nH]c1=O ZINC000637838357 440345540 /nfs/dbraw/zinc/34/55/40/440345540.db2.gz VNUPUMQJCWMFOG-ZDUSSCGKSA-N 1 3 331.420 0.737 20 0 ECADHO CCO[C@H]1COCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664659998 440352089 /nfs/dbraw/zinc/35/20/89/440352089.db2.gz XZRCFKDWEXZSTP-XHSDSOJGSA-N 1 3 344.500 0.752 20 0 ECADHO CCO[C@H]1COCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664659998 440352092 /nfs/dbraw/zinc/35/20/92/440352092.db2.gz XZRCFKDWEXZSTP-XHSDSOJGSA-N 1 3 344.500 0.752 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000632723428 440357103 /nfs/dbraw/zinc/35/71/03/440357103.db2.gz WYBVNROTJIWBNH-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC000659438861 440324541 /nfs/dbraw/zinc/32/45/41/440324541.db2.gz BNUBYOACSOVQAB-UHFFFAOYSA-N 1 3 334.424 0.315 20 0 ECADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659457542 440332021 /nfs/dbraw/zinc/33/20/21/440332021.db2.gz GYMNCHHCGHHJCB-CYBMUJFWSA-N 1 3 336.440 0.705 20 0 ECADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659457542 440332025 /nfs/dbraw/zinc/33/20/25/440332025.db2.gz GYMNCHHCGHHJCB-CYBMUJFWSA-N 1 3 336.440 0.705 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659681646 440416553 /nfs/dbraw/zinc/41/65/53/440416553.db2.gz YIWBQZMJTHWWSV-AXDVPUBFSA-N 1 3 336.480 0.419 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659681628 440418073 /nfs/dbraw/zinc/41/80/73/440418073.db2.gz XWCPODZMBQAYHH-HMEJJSDOSA-N 1 3 336.480 0.337 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)ccc1OCCN(C)C ZINC000633039431 440418924 /nfs/dbraw/zinc/41/89/24/440418924.db2.gz KOKYFKYTNKIHPS-UONOGXRCSA-N 1 3 348.447 0.822 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000659686985 440420545 /nfs/dbraw/zinc/42/05/45/440420545.db2.gz BEUSBFRDWRDOHZ-NVXWUHKLSA-N 1 3 348.491 0.983 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(C[NH3+])CCCOC2)C[C@H](C)O1 ZINC000638075146 440425616 /nfs/dbraw/zinc/42/56/16/440425616.db2.gz CFOSLDPGZQIERO-UXLLHSPISA-N 1 3 327.469 0.748 20 0 ECADHO CO[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)C1CCOCC1 ZINC000637981529 440386382 /nfs/dbraw/zinc/38/63/82/440386382.db2.gz HTKUUXMLFMFPRL-KRWDZBQOSA-N 1 3 341.496 0.818 20 0 ECADHO C[NH+](C)CCC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632620 440387314 /nfs/dbraw/zinc/38/73/14/440387314.db2.gz DGTGIOBPRBXRJC-UHFFFAOYSA-N 1 3 336.440 0.514 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659673732 440408287 /nfs/dbraw/zinc/40/82/87/440408287.db2.gz GUBWHTAEXVZIFF-MRXNPFEDSA-N 1 3 346.475 0.663 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659736320 440473905 /nfs/dbraw/zinc/47/39/05/440473905.db2.gz MQBDKGOODKLZJG-HNAYVOBHSA-N 1 3 348.491 0.722 20 0 ECADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659738048 440475813 /nfs/dbraw/zinc/47/58/13/440475813.db2.gz YJWNKUPOUINVKO-KSSFIOAISA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659740161 440476665 /nfs/dbraw/zinc/47/66/65/440476665.db2.gz DNVONAITOGPOCW-PMPSAXMXSA-N 1 3 338.496 0.809 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000638083712 440429641 /nfs/dbraw/zinc/42/96/41/440429641.db2.gz BPXNURZTXCPQEB-INIZCTEOSA-N 1 3 330.432 0.642 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638096823 440434017 /nfs/dbraw/zinc/43/40/17/440434017.db2.gz NCLXEDXRKYGMDB-WDEREUQCSA-N 1 3 342.394 0.916 20 0 ECADHO O=C(CN1CC[NH2+]CC1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000638097502 440434491 /nfs/dbraw/zinc/43/44/91/440434491.db2.gz FKWAQBFDHARIJR-UHFFFAOYSA-N 1 3 346.475 0.165 20 0 ECADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633084760 440434503 /nfs/dbraw/zinc/43/45/03/440434503.db2.gz KVIVZQZXVGPYEH-HOTGVXAUSA-N 1 3 348.422 0.289 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095356 440441845 /nfs/dbraw/zinc/44/18/45/440441845.db2.gz SELLJQBKYWCWRE-STQMWFEESA-N 1 3 336.461 0.211 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2(N3CCCCC3)CCOCC2)C1 ZINC000638118531 440450353 /nfs/dbraw/zinc/45/03/53/440450353.db2.gz ZYVGADDXSRKGQT-RDJZCZTQSA-N 1 3 339.480 0.905 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000659715616 440452431 /nfs/dbraw/zinc/45/24/31/440452431.db2.gz XORKYIVROOSYQH-CABCVRRESA-N 1 3 336.480 0.768 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000659722340 440458954 /nfs/dbraw/zinc/45/89/54/440458954.db2.gz FKJSYIHPXIDBRA-YJBOKZPZSA-N 1 3 338.496 0.729 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000659757339 440491875 /nfs/dbraw/zinc/49/18/75/440491875.db2.gz URZYUFVDGSOAAX-BHYGNILZSA-N 1 3 344.459 0.443 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638278536 440494535 /nfs/dbraw/zinc/49/45/35/440494535.db2.gz IDCGOADRHBQTBU-UHFFFAOYSA-N 1 3 344.503 0.971 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCO[C@@H]1C ZINC000665762949 440527391 /nfs/dbraw/zinc/52/73/91/440527391.db2.gz VJLJOEQGUQTKAS-LZWOXQAQSA-N 1 3 330.473 0.098 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCO[C@@H]1C ZINC000665762949 440527397 /nfs/dbraw/zinc/52/73/97/440527397.db2.gz VJLJOEQGUQTKAS-LZWOXQAQSA-N 1 3 330.473 0.098 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](CO)C[C@H](C)C1 ZINC000665763921 440529003 /nfs/dbraw/zinc/52/90/03/440529003.db2.gz PCNGMYFEDXSMQG-HRCADAONSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](CO)C[C@H](C)C1 ZINC000665763921 440529009 /nfs/dbraw/zinc/52/90/09/440529009.db2.gz PCNGMYFEDXSMQG-HRCADAONSA-N 1 3 328.501 0.918 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655447071 440563587 /nfs/dbraw/zinc/56/35/87/440563587.db2.gz ORGRHZBMNMIETG-QAPCUYQASA-N 1 3 336.480 0.389 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655447038 440565266 /nfs/dbraw/zinc/56/52/66/440565266.db2.gz JFXWYEFSKZQSLH-VKJFTORMSA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 ZINC000638571323 440570046 /nfs/dbraw/zinc/57/00/46/440570046.db2.gz JCDBJHFLJQAWOP-YHUYYLMFSA-N 1 3 336.480 0.576 20 0 ECADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CNC(=O)C2)CC1 ZINC000660076149 440590934 /nfs/dbraw/zinc/59/09/34/440590934.db2.gz GYIKATVHLXRFQW-INIZCTEOSA-N 1 3 346.475 0.885 20 0 ECADHO C[C@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)N(C)C)c1N)[NH+](C)C ZINC000666244077 440604191 /nfs/dbraw/zinc/60/41/91/440604191.db2.gz PCVXBLMHEOWFOM-BETUJISGSA-N 1 3 349.479 0.629 20 0 ECADHO C[C@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)[NH+](C)C)c1N)N(C)C ZINC000666244077 440604196 /nfs/dbraw/zinc/60/41/96/440604196.db2.gz PCVXBLMHEOWFOM-BETUJISGSA-N 1 3 349.479 0.629 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638728274 440607951 /nfs/dbraw/zinc/60/79/51/440607951.db2.gz MFSUJZXTYHZQDV-NVXWUHKLSA-N 1 3 339.480 0.857 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000638725609 440608659 /nfs/dbraw/zinc/60/86/59/440608659.db2.gz CFPOTMBIUSGOFK-HUUCEWRRSA-N 1 3 325.453 0.454 20 0 ECADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655714344 440621494 /nfs/dbraw/zinc/62/14/94/440621494.db2.gz AYONCGXJNFBULK-DOTOQJQBSA-N 1 3 338.496 0.417 20 0 ECADHO O=C([C@H]1CNCCC1(F)F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784288 440623043 /nfs/dbraw/zinc/62/30/43/440623043.db2.gz SGXMMVZENNFFHF-ZIAGYGMSSA-N 1 3 331.407 0.848 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000638790870 440624361 /nfs/dbraw/zinc/62/43/61/440624361.db2.gz ATUCCXNPCROZDY-KRWDZBQOSA-N 1 3 349.479 0.675 20 0 ECADHO O=C(NCCC[NH2+]Cc1cccnc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655962827 440662713 /nfs/dbraw/zinc/66/27/13/440662713.db2.gz RILLOGGDKYFJMR-JKSUJKDBSA-N 1 3 333.436 0.022 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000655973836 440663928 /nfs/dbraw/zinc/66/39/28/440663928.db2.gz JDAPREMXAAXGEY-GVDBMIGSSA-N 1 3 335.496 0.692 20 0 ECADHO C[C@H](C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1)CN1CCN(C)CC1 ZINC000644562718 440645211 /nfs/dbraw/zinc/64/52/11/440645211.db2.gz MEDWRMLHHINSPN-UYAOXDASSA-N 1 3 348.535 0.952 20 0 ECADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656024958 440694907 /nfs/dbraw/zinc/69/49/07/440694907.db2.gz ZHXFMTXWBWZHJY-HOTGVXAUSA-N 1 3 336.480 0.625 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000656069804 440708262 /nfs/dbraw/zinc/70/82/62/440708262.db2.gz PTWQPBDHWAMORL-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000666920200 440710584 /nfs/dbraw/zinc/71/05/84/440710584.db2.gz PPINVZUUQFWACX-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000666920200 440710593 /nfs/dbraw/zinc/71/05/93/440710593.db2.gz PPINVZUUQFWACX-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629583398 440739448 /nfs/dbraw/zinc/73/94/48/440739448.db2.gz BDLFLEFLRAKWED-XUVXKRRUSA-N 1 3 347.503 0.916 20 0 ECADHO CC[NH+](CC)CCCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645125955 440750469 /nfs/dbraw/zinc/75/04/69/440750469.db2.gz WMTCZTVSMUULHY-CQSZACIVSA-N 1 3 327.473 0.480 20 0 ECADHO [NH3+]CCOCC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000645452200 440810455 /nfs/dbraw/zinc/81/04/55/440810455.db2.gz JDYHNMXGUKTCFT-UHFFFAOYSA-N 1 3 334.464 0.286 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645209540 440763240 /nfs/dbraw/zinc/76/32/40/440763240.db2.gz NZEIXBYNIGSAMF-ZIAGYGMSSA-N 1 3 327.473 0.478 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645209540 440763245 /nfs/dbraw/zinc/76/32/45/440763245.db2.gz NZEIXBYNIGSAMF-ZIAGYGMSSA-N 1 3 327.473 0.478 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656337220 440777329 /nfs/dbraw/zinc/77/73/29/440777329.db2.gz PWVUZVYKQUIAFA-ZNMIVQPWSA-N 1 3 338.496 0.679 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356835 440785070 /nfs/dbraw/zinc/78/50/70/440785070.db2.gz HGTJTLNRCSXWLO-ARFHVFGLSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356835 440785075 /nfs/dbraw/zinc/78/50/75/440785075.db2.gz HGTJTLNRCSXWLO-ARFHVFGLSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CNC(=O)c1cc[nH]c1CC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000635254783 440797079 /nfs/dbraw/zinc/79/70/79/440797079.db2.gz HOIHKDZPTXCAAL-QWHCGFSZSA-N 1 3 337.468 0.303 20 0 ECADHO C[C@H](CNC(=O)c1cc[nH]c1CC(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000635254783 440797086 /nfs/dbraw/zinc/79/70/86/440797086.db2.gz HOIHKDZPTXCAAL-QWHCGFSZSA-N 1 3 337.468 0.303 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646105988 440995239 /nfs/dbraw/zinc/99/52/39/440995239.db2.gz OFSQLXANJFAQGW-DLBZAZTESA-N 1 3 344.459 0.588 20 0 ECADHO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCN(c2ccncc2)CC1 ZINC000662355245 441020329 /nfs/dbraw/zinc/02/03/29/441020329.db2.gz LMIWCLPAFORDBP-CYBMUJFWSA-N 1 3 326.404 0.844 20 0 ECADHO NCc1cc(NC(=O)c2cn(CC[NH3+])nn2)cc(C(F)(F)F)c1 ZINC000662559239 441070279 /nfs/dbraw/zinc/07/02/79/441070279.db2.gz VKKZVHJQQONFDR-UHFFFAOYSA-N 1 3 328.298 0.967 20 0 ECADHO O=C(C[C@H]1NCc2ccccc21)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000662426683 441038221 /nfs/dbraw/zinc/03/82/21/441038221.db2.gz ZPBWVPXBINWYID-CYBMUJFWSA-N 1 3 327.392 0.387 20 0 ECADHO COCC[N@H+](C)C[C@@H](O)Cn1cc(CCN2CCCCC2)nn1 ZINC000641224133 441079108 /nfs/dbraw/zinc/07/91/08/441079108.db2.gz UCVBJRJPFSBDNK-MRXNPFEDSA-N 1 3 325.457 0.246 20 0 ECADHO COCC[N@@H+](C)C[C@@H](O)Cn1cc(CCN2CCCCC2)nn1 ZINC000641224133 441079110 /nfs/dbraw/zinc/07/91/10/441079110.db2.gz UCVBJRJPFSBDNK-MRXNPFEDSA-N 1 3 325.457 0.246 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)C[C@H]2N)cn1 ZINC000333615051 320921339 /nfs/dbraw/zinc/92/13/39/320921339.db2.gz SOFPZBPWSHYMSV-XHSDSOJGSA-N 1 3 334.468 0.764 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000340203074 321020920 /nfs/dbraw/zinc/02/09/20/321020920.db2.gz HQPDSEADZMHVEM-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000340203074 321020921 /nfs/dbraw/zinc/02/09/21/321020921.db2.gz HQPDSEADZMHVEM-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCN1C ZINC000340254173 321029765 /nfs/dbraw/zinc/02/97/65/321029765.db2.gz SWKNJRRXMURPCP-LSDHHAIUSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340268302 321033035 /nfs/dbraw/zinc/03/30/35/321033035.db2.gz OBYSCRSOJLDGJR-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340268302 321033037 /nfs/dbraw/zinc/03/30/37/321033037.db2.gz OBYSCRSOJLDGJR-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000340585672 321046032 /nfs/dbraw/zinc/04/60/32/321046032.db2.gz QHNQOYWRBGEBFX-LSDHHAIUSA-N 1 3 342.484 0.060 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC000343044368 321118915 /nfs/dbraw/zinc/11/89/15/321118915.db2.gz WAHUKKOTWZHZHL-UHFFFAOYSA-N 1 3 329.485 0.912 20 0 ECADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000343139105 321124033 /nfs/dbraw/zinc/12/40/33/321124033.db2.gz PBRIOKUKOLAUHW-RBSFLKMASA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(N)=O ZINC000344182888 321142585 /nfs/dbraw/zinc/14/25/85/321142585.db2.gz RLIXONINOAQVMH-HNNXBMFYSA-N 1 3 339.484 0.354 20 0 ECADHO Cc1cc(C)n2c(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cnc2n1 ZINC000347050679 321228548 /nfs/dbraw/zinc/22/85/48/321228548.db2.gz RBLOZARRPHPFJJ-CQSZACIVSA-N 1 3 330.436 0.633 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000351661734 321335630 /nfs/dbraw/zinc/33/56/30/321335630.db2.gz MCTFSAKELGPYMV-OWCLPIDISA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000351661734 321335631 /nfs/dbraw/zinc/33/56/31/321335631.db2.gz MCTFSAKELGPYMV-OWCLPIDISA-N 1 3 325.501 0.794 20 0 ECADHO CO[C@H](CN)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000353465165 321392868 /nfs/dbraw/zinc/39/28/68/321392868.db2.gz CXFCASYWHNOFRD-MRXNPFEDSA-N 1 3 348.447 0.339 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cnc(N(C)C)n1C ZINC000531440502 322040122 /nfs/dbraw/zinc/04/01/22/322040122.db2.gz BUKJKBPETYKTGI-UHFFFAOYSA-N 1 3 339.488 0.121 20 0 ECADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000545883556 322111169 /nfs/dbraw/zinc/11/11/69/322111169.db2.gz MNROPLSHYXHANY-JYYAWHABSA-N 1 3 326.485 0.719 20 0 ECADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000545883556 322111171 /nfs/dbraw/zinc/11/11/71/322111171.db2.gz MNROPLSHYXHANY-JYYAWHABSA-N 1 3 326.485 0.719 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000561199088 322256170 /nfs/dbraw/zinc/25/61/70/322256170.db2.gz MCIWLOAULBWUNT-CVEARBPZSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@@H](C)C[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000561770161 322263638 /nfs/dbraw/zinc/26/36/38/322263638.db2.gz FZIBBNPRNLBWFC-UVPYHEFZSA-N 1 3 340.512 0.781 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000561770161 322263640 /nfs/dbraw/zinc/26/36/40/322263640.db2.gz FZIBBNPRNLBWFC-UVPYHEFZSA-N 1 3 340.512 0.781 20 0 ECADHO Cc1cnccc1CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000562289234 322268658 /nfs/dbraw/zinc/26/86/58/322268658.db2.gz WFACQWMDZYQAHZ-UHFFFAOYSA-N 1 3 349.479 0.001 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC2C[NH2+]C2)cc1Cl ZINC000562757737 322283494 /nfs/dbraw/zinc/28/34/94/322283494.db2.gz GUSZGKHCLLRZDI-UHFFFAOYSA-N 1 3 340.811 0.307 20 0 ECADHO CN1CCN(Cc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000563061099 322295211 /nfs/dbraw/zinc/29/52/11/322295211.db2.gz WSCOOIYAQNSIJY-QGZVFWFLSA-N 1 3 332.448 0.751 20 0 ECADHO CCc1cnccc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000564289446 322368243 /nfs/dbraw/zinc/36/82/43/322368243.db2.gz XGMZGKJYSUJVBF-UHFFFAOYSA-N 1 3 349.479 0.212 20 0 ECADHO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000564824852 322396240 /nfs/dbraw/zinc/39/62/40/322396240.db2.gz BKZPHIANDFMXHX-MAUKXSAKSA-N 1 3 334.464 0.285 20 0 ECADHO C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@H](N3CCCC3)C1)CC[NH2+]CC2 ZINC000564842574 322398746 /nfs/dbraw/zinc/39/87/46/322398746.db2.gz VQQXUESTYXVZKG-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000565254396 322446429 /nfs/dbraw/zinc/44/64/29/322446429.db2.gz NLBYVGQAZDDVBD-HUUCEWRRSA-N 1 3 338.496 0.809 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1(C)C ZINC000565715904 322472849 /nfs/dbraw/zinc/47/28/49/322472849.db2.gz VLMBDXVSDYPJRK-LBTNJELSSA-N 1 3 339.480 0.733 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000567477875 322584686 /nfs/dbraw/zinc/58/46/86/322584686.db2.gz KLCWXMXPPDLPEF-HOTGVXAUSA-N 1 3 347.463 0.773 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000569106333 322643348 /nfs/dbraw/zinc/64/33/48/322643348.db2.gz VMSOEDKZFUIBMS-ZACQAIPSSA-N 1 3 348.491 0.531 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000342993945 546091552 /nfs/dbraw/zinc/09/15/52/546091552.db2.gz UPSHSWBMDCGWME-AWEZNQCLSA-N 1 3 326.485 0.822 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417436255 546210765 /nfs/dbraw/zinc/21/07/65/546210765.db2.gz ZPQYZTOGRXRWJM-KKUMJFAQSA-N 1 3 339.484 0.498 20 0 ECADHO C[C@@H](CCN(C)CC1(O)CCOCC1)[N@H+](C)CC1(O)CCOCC1 ZINC000444750137 546232888 /nfs/dbraw/zinc/23/28/88/546232888.db2.gz YHQPPYAHSVUVDH-INIZCTEOSA-N 1 3 344.496 0.712 20 0 ECADHO C[C@@H](CCN(C)CC1(O)CCOCC1)[N@@H+](C)CC1(O)CCOCC1 ZINC000444750137 546232892 /nfs/dbraw/zinc/23/28/92/546232892.db2.gz YHQPPYAHSVUVDH-INIZCTEOSA-N 1 3 344.496 0.712 20 0 ECADHO C[C@@H](CC[N@H+](C)CC1(O)CCOCC1)N(C)CC1(O)CCOCC1 ZINC000444750137 546232894 /nfs/dbraw/zinc/23/28/94/546232894.db2.gz YHQPPYAHSVUVDH-INIZCTEOSA-N 1 3 344.496 0.712 20 0 ECADHO C[C@@H](CC[N@@H+](C)CC1(O)CCOCC1)N(C)CC1(O)CCOCC1 ZINC000444750137 546232896 /nfs/dbraw/zinc/23/28/96/546232896.db2.gz YHQPPYAHSVUVDH-INIZCTEOSA-N 1 3 344.496 0.712 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)N1CCCCC1 ZINC000621837850 546570897 /nfs/dbraw/zinc/57/08/97/546570897.db2.gz RQQJXDLRQRPLPA-KSSFIOAISA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@H]13)C2 ZINC000621849581 546578326 /nfs/dbraw/zinc/57/83/26/546578326.db2.gz YFVOUDJGLFVYOE-ADAWSYLGSA-N 1 3 334.464 0.459 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCCN(C3CCCC3)CC1)C2 ZINC000622026350 546608281 /nfs/dbraw/zinc/60/82/81/546608281.db2.gz ITCHPCFDGQTCIO-KXBFYZLASA-N 1 3 348.491 0.803 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000625456074 547105431 /nfs/dbraw/zinc/10/54/31/547105431.db2.gz XKBVXOURKWCWMM-IRXDYDNUSA-N 1 3 348.491 0.816 20 0 ECADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631493 547447294 /nfs/dbraw/zinc/44/72/94/547447294.db2.gz FVVJVMUEXJRMLN-CYBMUJFWSA-N 1 3 348.451 0.514 20 0 ECADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631493 547447297 /nfs/dbraw/zinc/44/72/97/547447297.db2.gz FVVJVMUEXJRMLN-CYBMUJFWSA-N 1 3 348.451 0.514 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC(=O)N1C ZINC000667811388 547559072 /nfs/dbraw/zinc/55/90/72/547559072.db2.gz LFDWERSPYSOGGA-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC(=O)N1C ZINC000667811388 547559076 /nfs/dbraw/zinc/55/90/76/547559076.db2.gz LFDWERSPYSOGGA-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000668397644 547645510 /nfs/dbraw/zinc/64/55/10/547645510.db2.gz KVMYNTLIDUZZTQ-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000668398596 547646523 /nfs/dbraw/zinc/64/65/23/547646523.db2.gz JMOQGFZRPVMALC-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)NC[C@H](C)[NH3+])CC1 ZINC000669236504 547857093 /nfs/dbraw/zinc/85/70/93/547857093.db2.gz OMPADPQLBKAICN-HNNXBMFYSA-N 1 3 333.480 0.971 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669500062 547899900 /nfs/dbraw/zinc/89/99/00/547899900.db2.gz HSLJXDKNEFWOGU-JKSUJKDBSA-N 1 3 325.501 0.701 20 0 ECADHO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000671091606 548088789 /nfs/dbraw/zinc/08/87/89/548088789.db2.gz NMWKHDIQYDAZMP-INIZCTEOSA-N 1 3 334.464 0.284 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671182604 548107669 /nfs/dbraw/zinc/10/76/69/548107669.db2.gz WKPBGVBQGZVCED-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671182604 548107673 /nfs/dbraw/zinc/10/76/73/548107673.db2.gz WKPBGVBQGZVCED-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000672697432 548374102 /nfs/dbraw/zinc/37/41/02/548374102.db2.gz URIYGYSAZZDQOG-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCC1 ZINC000672982842 548423701 /nfs/dbraw/zinc/42/37/01/548423701.db2.gz BCYLVZLRSNVMCQ-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCC1 ZINC000672982842 548423704 /nfs/dbraw/zinc/42/37/04/548423704.db2.gz BCYLVZLRSNVMCQ-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673513178 548503043 /nfs/dbraw/zinc/50/30/43/548503043.db2.gz CIPJKALPHFZSAA-JKSUJKDBSA-N 1 3 347.459 0.908 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cn(C)nn1 ZINC000679972834 549140742 /nfs/dbraw/zinc/14/07/42/549140742.db2.gz HYFCIQHIKMYHGZ-HNNXBMFYSA-N 1 3 337.472 0.373 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cn(C)nn1 ZINC000679972834 549140744 /nfs/dbraw/zinc/14/07/44/549140744.db2.gz HYFCIQHIKMYHGZ-HNNXBMFYSA-N 1 3 337.472 0.373 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000685277685 549673697 /nfs/dbraw/zinc/67/36/97/549673697.db2.gz FGIMQWMYQUPTOE-HUUCEWRRSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000685277685 549673701 /nfs/dbraw/zinc/67/37/01/549673701.db2.gz FGIMQWMYQUPTOE-HUUCEWRRSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000685519273 549703447 /nfs/dbraw/zinc/70/34/47/549703447.db2.gz BQRXVUPUULZRRF-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000685533397 549704637 /nfs/dbraw/zinc/70/46/37/549704637.db2.gz LPTYDEXNIXNABH-OAHLLOKOSA-N 1 3 347.463 0.577 20 0 ECADHO CN1CCN(CCCNC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727070532 578154473 /nfs/dbraw/zinc/15/44/73/578154473.db2.gz ZIIKPFDLLXAOHR-UHFFFAOYSA-N 1 3 329.558 0.676 20 0 ECADHO CN1CCCN(CCNC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727080231 578155278 /nfs/dbraw/zinc/15/52/78/578155278.db2.gz JYJQIHVPRKFAJY-UHFFFAOYSA-N 1 3 329.558 0.676 20 0 ECADHO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000733997022 578351151 /nfs/dbraw/zinc/35/11/51/578351151.db2.gz PHYCQEVXMMPIRR-GRRFOWRYSA-N 1 3 341.477 0.850 20 0 ECADHO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000733997022 578351153 /nfs/dbraw/zinc/35/11/53/578351153.db2.gz PHYCQEVXMMPIRR-GRRFOWRYSA-N 1 3 341.477 0.850 20 0 ECADHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000791139019 578886845 /nfs/dbraw/zinc/88/68/45/578886845.db2.gz WHHMAQQZZAPJIF-JKSUJKDBSA-N 1 3 331.526 0.959 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793696147 578935319 /nfs/dbraw/zinc/93/53/19/578935319.db2.gz FQQUSHXNICDYMY-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793696147 578935320 /nfs/dbraw/zinc/93/53/20/578935320.db2.gz FQQUSHXNICDYMY-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)N1CCCCC1 ZINC000793716721 578937277 /nfs/dbraw/zinc/93/72/77/578937277.db2.gz LDWVKEUXPWPCBF-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=S)NCC1CC[NH+](C)CC1 ZINC000769759693 579151246 /nfs/dbraw/zinc/15/12/46/579151246.db2.gz JKCGEENAASTWRA-HNNXBMFYSA-N 1 3 341.569 0.818 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Br)nn1C ZINC000760275635 579507659 /nfs/dbraw/zinc/50/76/59/579507659.db2.gz DIIWCMRGVYODTI-UHFFFAOYSA-N 1 3 346.273 0.748 20 0 ECADHO C[C@H](NC[C@]1(O)CC[N@H+](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000762786848 579548256 /nfs/dbraw/zinc/54/82/56/579548256.db2.gz LGWVXYYYTJDGSR-YTQUADARSA-N 1 3 333.476 0.932 20 0 ECADHO C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000762786848 579548258 /nfs/dbraw/zinc/54/82/58/579548258.db2.gz LGWVXYYYTJDGSR-YTQUADARSA-N 1 3 333.476 0.932 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cn1 ZINC000747556856 579853099 /nfs/dbraw/zinc/85/30/99/579853099.db2.gz LFGQTNXVDASIAZ-GJZGRUSLSA-N 1 3 336.440 0.429 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000747556857 579853167 /nfs/dbraw/zinc/85/31/67/579853167.db2.gz LFGQTNXVDASIAZ-HUUCEWRRSA-N 1 3 336.440 0.429 20 0 ECADHO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000867149356 588919057 /nfs/dbraw/zinc/91/90/57/588919057.db2.gz VHLWGSVTVXLKKW-HNNXBMFYSA-N 1 3 332.514 0.028 20 0 ECADHO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000867149356 588919059 /nfs/dbraw/zinc/91/90/59/588919059.db2.gz VHLWGSVTVXLKKW-HNNXBMFYSA-N 1 3 332.514 0.028 20 0 ECADHO [NH3+]CCOc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000841030231 588976272 /nfs/dbraw/zinc/97/62/72/588976272.db2.gz LOQWDMCYWDBJRG-HNNXBMFYSA-N 1 3 346.431 0.659 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841045717 588976727 /nfs/dbraw/zinc/97/67/27/588976727.db2.gz OUPFLXSCPHNLOG-HNNXBMFYSA-N 1 3 348.447 0.953 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841107647 588978296 /nfs/dbraw/zinc/97/82/96/588978296.db2.gz JXHADCHZUYFCNZ-AWEZNQCLSA-N 1 3 348.447 0.953 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000841256165 588984763 /nfs/dbraw/zinc/98/47/63/588984763.db2.gz GCVCIZPVZIXPEY-AWEZNQCLSA-N 1 3 347.463 0.621 20 0 ECADHO O=C(C[C@H]1CNCCO1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841846998 589002727 /nfs/dbraw/zinc/00/27/27/589002727.db2.gz FQPPONFKTBILOC-INIZCTEOSA-N 1 3 347.415 0.912 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CCCCC1 ZINC000842023341 589008969 /nfs/dbraw/zinc/00/89/69/589008969.db2.gz DVIVDOSPDQKZCO-GOSISDBHSA-N 1 3 336.480 0.722 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000842096476 589011711 /nfs/dbraw/zinc/01/17/11/589011711.db2.gz BSSFSQJMJIGHKO-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000842190552 589019428 /nfs/dbraw/zinc/01/94/28/589019428.db2.gz ULFFQVGLQVLZSK-KXBFYZLASA-N 1 3 346.475 0.868 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000842203752 589020734 /nfs/dbraw/zinc/02/07/34/589020734.db2.gz XEPJRCPBDWGUHN-UYSNPLJNSA-N 1 3 336.480 0.849 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000891535203 586174174 /nfs/dbraw/zinc/17/41/74/586174174.db2.gz HZHJFTZFRMXCJS-OAHLLOKOSA-N 1 3 339.484 0.452 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000891601953 586180664 /nfs/dbraw/zinc/18/06/64/586180664.db2.gz JEFWPVOSWHJZJG-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO COCCC1(NC(=O)NC[C@@]2(N(C)C)CCSC2)CC[NH2+]CC1 ZINC000891638296 586183967 /nfs/dbraw/zinc/18/39/67/586183967.db2.gz JYNUNOOTEOOOEG-INIZCTEOSA-N 1 3 344.525 0.882 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1(C)C ZINC000891884775 586203159 /nfs/dbraw/zinc/20/31/59/586203159.db2.gz LHFYCZVNFGPBCP-CYBMUJFWSA-N 1 3 347.454 0.556 20 0 ECADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCC1C[NH2+]C1 ZINC000892047269 586218026 /nfs/dbraw/zinc/21/80/26/586218026.db2.gz MKVCLJDTIWZRTN-SFHVURJKSA-N 1 3 332.448 0.484 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C[NH+]1CCCC1 ZINC000892118042 586222841 /nfs/dbraw/zinc/22/28/41/586222841.db2.gz SVQOXCSHXNCHOK-IXDOHACOSA-N 1 3 338.496 0.959 20 0 ECADHO [NH3+]CC12CCC(CC1)N2C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000892469314 586267743 /nfs/dbraw/zinc/26/77/43/586267743.db2.gz GNNFSMMOGNXJQG-UHFFFAOYSA-N 1 3 349.479 0.302 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000892480578 586268706 /nfs/dbraw/zinc/26/87/06/586268706.db2.gz ILYJBCHRKRKADO-LSDHHAIUSA-N 1 3 326.485 0.911 20 0 ECADHO CN1C[C@H]2CCN(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)[C@@H]2C1 ZINC000892521726 586271461 /nfs/dbraw/zinc/27/14/61/586271461.db2.gz CKPXBZNPQHLTSD-CRAIPNDOSA-N 1 3 349.523 0.891 20 0 ECADHO CN(Cc1ccccc1)C(=O)CNC(=O)CNCC1CC[NH+](C)CC1 ZINC000896885670 586275564 /nfs/dbraw/zinc/27/55/64/586275564.db2.gz JPUOFOMOQICIEK-UHFFFAOYSA-N 1 3 346.475 0.693 20 0 ECADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000897057996 586283369 /nfs/dbraw/zinc/28/33/69/586283369.db2.gz LEMGTCIVANPUBF-OAHLLOKOSA-N 1 3 341.477 0.737 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1)CN1CCN(C)CC1 ZINC000893239230 586318415 /nfs/dbraw/zinc/31/84/15/586318415.db2.gz ZASAKFUTHQRGKK-CVEARBPZSA-N 1 3 325.501 0.511 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](C)C1)CN1CCN(C)CC1 ZINC000893239230 586318418 /nfs/dbraw/zinc/31/84/18/586318418.db2.gz ZASAKFUTHQRGKK-CVEARBPZSA-N 1 3 325.501 0.511 20 0 ECADHO C[C@H]1CCN(CCNC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000897437741 586322465 /nfs/dbraw/zinc/32/24/65/586322465.db2.gz NLVOJFIVSNJCPW-HNNXBMFYSA-N 1 3 326.485 0.816 20 0 ECADHO C[C@H]1CCN(CCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000897437741 586322466 /nfs/dbraw/zinc/32/24/66/586322466.db2.gz NLVOJFIVSNJCPW-HNNXBMFYSA-N 1 3 326.485 0.816 20 0 ECADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000897557507 586344306 /nfs/dbraw/zinc/34/43/06/586344306.db2.gz NKXVUKQYXMAYHD-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000897557507 586344309 /nfs/dbraw/zinc/34/43/09/586344309.db2.gz NKXVUKQYXMAYHD-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO O=C(N[C@H](CO)CN1CCCCC1)C1C[NH+](C2CCOCC2)C1 ZINC000897725674 586362990 /nfs/dbraw/zinc/36/29/90/586362990.db2.gz WLXBCURLGROEJV-HNNXBMFYSA-N 1 3 325.453 0.060 20 0 ECADHO CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC000900480737 586634775 /nfs/dbraw/zinc/63/47/75/586634775.db2.gz JBKFBXOQRYFYKW-UHFFFAOYSA-N 1 3 325.453 0.814 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/Cn1cncn1 ZINC000900481651 586635159 /nfs/dbraw/zinc/63/51/59/586635159.db2.gz SVVUMSINJFKYBF-BVBGJJFLSA-N 1 3 334.468 0.709 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/Cn1cncn1 ZINC000900481651 586635161 /nfs/dbraw/zinc/63/51/61/586635161.db2.gz SVVUMSINJFKYBF-BVBGJJFLSA-N 1 3 334.468 0.709 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000843265164 589058564 /nfs/dbraw/zinc/05/85/64/589058564.db2.gz QSQHZVFXQSFROK-JKSUJKDBSA-N 1 3 348.491 0.861 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000900726200 586659668 /nfs/dbraw/zinc/65/96/68/586659668.db2.gz UBNDCSKEBGVHCB-WMZOPIPTSA-N 1 3 338.496 0.072 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000900726200 586659669 /nfs/dbraw/zinc/65/96/69/586659669.db2.gz UBNDCSKEBGVHCB-WMZOPIPTSA-N 1 3 338.496 0.072 20 0 ECADHO CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)CC1 ZINC000900800764 586669075 /nfs/dbraw/zinc/66/90/75/586669075.db2.gz AUJJYVMGZOMWPT-IAGOWNOFSA-N 1 3 339.528 0.153 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)C1 ZINC000901077802 586690267 /nfs/dbraw/zinc/69/02/67/586690267.db2.gz OMUBRKZAYPOGAA-AEFFLSMTSA-N 1 3 339.480 0.547 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000902347959 586733939 /nfs/dbraw/zinc/73/39/39/586733939.db2.gz RIJZCNFEXVMKHJ-OAHLLOKOSA-N 1 3 331.526 0.863 20 0 ECADHO CC1(C)CNCC[C@@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000902347959 586733942 /nfs/dbraw/zinc/73/39/42/586733942.db2.gz RIJZCNFEXVMKHJ-OAHLLOKOSA-N 1 3 331.526 0.863 20 0 ECADHO CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCC([NH3+])CC1 ZINC000843353843 589063374 /nfs/dbraw/zinc/06/33/74/589063374.db2.gz MNKYLNCRZIRVBZ-UHFFFAOYSA-N 1 3 340.449 0.474 20 0 ECADHO CCOCCCNC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491998 586779397 /nfs/dbraw/zinc/77/93/97/586779397.db2.gz IANXDAXHNIBALR-OEUWWYETSA-N 1 3 341.452 0.130 20 0 ECADHO C[C@H](C(=O)NCC(F)(F)F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507055 586783138 /nfs/dbraw/zinc/78/31/38/586783138.db2.gz LLLCNCNLKAYCLJ-BNOWGMLFSA-N 1 3 348.413 0.954 20 0 ECADHO C[C@H](C(=O)NCC(F)(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507055 586783139 /nfs/dbraw/zinc/78/31/39/586783139.db2.gz LLLCNCNLKAYCLJ-BNOWGMLFSA-N 1 3 348.413 0.954 20 0 ECADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCNCCC12CCOCC2 ZINC000903549061 586787323 /nfs/dbraw/zinc/78/73/23/586787323.db2.gz CZDVPXYTVYSUHE-UHFFFAOYSA-N 1 3 331.482 0.160 20 0 ECADHO CS(=O)(=O)NCC1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903755560 586811733 /nfs/dbraw/zinc/81/17/33/586811733.db2.gz JKIFYMLYESJNJA-CABCVRRESA-N 1 3 331.482 0.016 20 0 ECADHO CN(C[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000903758774 586812837 /nfs/dbraw/zinc/81/28/37/586812837.db2.gz MJLGZGWMCYREHM-ARFHVFGLSA-N 1 3 345.509 0.358 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000903781423 586814819 /nfs/dbraw/zinc/81/48/19/586814819.db2.gz SSIXVCSVZSQMHI-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO O=C1NCCN1CC1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903823836 586817869 /nfs/dbraw/zinc/81/78/69/586817869.db2.gz KGHFTFLSAVWNBN-INIZCTEOSA-N 1 3 336.480 0.882 20 0 ECADHO O=C(N1CCOCC1)C1([NH2+]C[C@@H]2CCC3(CNC3)O2)CCCCC1 ZINC000903830310 586818364 /nfs/dbraw/zinc/81/83/64/586818364.db2.gz YYNPIWXKZBYDSB-HNNXBMFYSA-N 1 3 337.464 0.659 20 0 ECADHO CN(C)[S@@](C)(=O)=NCC1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903870793 586821310 /nfs/dbraw/zinc/82/13/10/586821310.db2.gz JQEHSYWHKKFUDO-CMJOXMDJSA-N 1 3 344.525 0.651 20 0 ECADHO COC[C@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000903880941 586822835 /nfs/dbraw/zinc/82/28/35/586822835.db2.gz NMQMLDVAACOJIX-IAGOWNOFSA-N 1 3 334.464 0.326 20 0 ECADHO Cc1c(C[C@H](CN)C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cnn1C ZINC000903900116 586824386 /nfs/dbraw/zinc/82/43/86/586824386.db2.gz YRLLILQYUPHXHH-DJIMGWMZSA-N 1 3 333.480 0.837 20 0 ECADHO Cc1c(C[C@H](CN)C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cnn1C ZINC000903900116 586824388 /nfs/dbraw/zinc/82/43/88/586824388.db2.gz YRLLILQYUPHXHH-DJIMGWMZSA-N 1 3 333.480 0.837 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cnn1C ZINC000903900116 586824390 /nfs/dbraw/zinc/82/43/90/586824390.db2.gz YRLLILQYUPHXHH-DJIMGWMZSA-N 1 3 333.480 0.837 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCNCCC12CCC2 ZINC000904967001 586850464 /nfs/dbraw/zinc/85/04/64/586850464.db2.gz UALGZZRIYTWJAV-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000904953195 586853954 /nfs/dbraw/zinc/85/39/54/586853954.db2.gz URLXVFKGUORKKC-UHFFFAOYSA-N 1 3 338.496 0.764 20 0 ECADHO NC[C@@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000904999284 586857209 /nfs/dbraw/zinc/85/72/09/586857209.db2.gz GIUTUXCJXOEDNH-BEFAXECRSA-N 1 3 348.491 0.803 20 0 ECADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CCC[C@]12CC[NH2+]C2 ZINC000905006085 586858685 /nfs/dbraw/zinc/85/86/85/586858685.db2.gz AIOHIUMACWLZRP-GOSISDBHSA-N 1 3 343.431 0.085 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@H](O)CC2(CO)CCCC2)C1 ZINC000905081013 586867104 /nfs/dbraw/zinc/86/71/04/586867104.db2.gz GEFRFPNGWREOLW-JKSUJKDBSA-N 1 3 341.496 0.467 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@H](O)CC2(CO)CCCC2)C1 ZINC000905081013 586867106 /nfs/dbraw/zinc/86/71/06/586867106.db2.gz GEFRFPNGWREOLW-JKSUJKDBSA-N 1 3 341.496 0.467 20 0 ECADHO O=S(=O)(CC1CC[NH2+]CC1)NCC1(N2CCCC2)CCOCC1 ZINC000905335774 586887448 /nfs/dbraw/zinc/88/74/48/586887448.db2.gz MKDXUOQKPMDBFI-UHFFFAOYSA-N 1 3 345.509 0.550 20 0 ECADHO CN1CCC(n2cc(NC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)cn2)CC1 ZINC000906699713 586968009 /nfs/dbraw/zinc/96/80/09/586968009.db2.gz DVFDRVRMLBSDIR-AWEZNQCLSA-N 1 3 348.451 0.203 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000906930655 586995107 /nfs/dbraw/zinc/99/51/07/586995107.db2.gz NOTPHIWHZQDMTP-HZPDHXFCSA-N 1 3 340.512 0.485 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C2CN(C)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000906930655 586995108 /nfs/dbraw/zinc/99/51/08/586995108.db2.gz NOTPHIWHZQDMTP-HZPDHXFCSA-N 1 3 340.512 0.485 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000907085329 587014686 /nfs/dbraw/zinc/01/46/86/587014686.db2.gz SNJQKDHPOQUMEG-YJBOKZPZSA-N 1 3 334.508 0.955 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000907085329 587014689 /nfs/dbraw/zinc/01/46/89/587014689.db2.gz SNJQKDHPOQUMEG-YJBOKZPZSA-N 1 3 334.508 0.955 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000806327512 587092892 /nfs/dbraw/zinc/09/28/92/587092892.db2.gz AOPOKFADYGHQJT-PMPSAXMXSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000817766368 587383363 /nfs/dbraw/zinc/38/33/63/587383363.db2.gz FVUCFERNWCWHEP-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000817766368 587383365 /nfs/dbraw/zinc/38/33/65/587383365.db2.gz FVUCFERNWCWHEP-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(CCOC1CNC1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000818538349 587437631 /nfs/dbraw/zinc/43/76/31/587437631.db2.gz BXBFQMCQOWJKLS-HNNXBMFYSA-N 1 3 347.415 0.912 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC2(C1)OCCO2 ZINC000820080755 587507865 /nfs/dbraw/zinc/50/78/65/587507865.db2.gz KAFWHGAIYHSMBZ-HNNXBMFYSA-N 1 3 342.484 0.807 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC2(C1)OCCO2 ZINC000820080755 587507867 /nfs/dbraw/zinc/50/78/67/587507867.db2.gz KAFWHGAIYHSMBZ-HNNXBMFYSA-N 1 3 342.484 0.807 20 0 ECADHO CO[C@H](C[NH3+])Cc1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000822951201 587692813 /nfs/dbraw/zinc/69/28/13/587692813.db2.gz MSLVNKWQWMBILE-AWEZNQCLSA-N 1 3 346.435 0.790 20 0 ECADHO [NH3+]CCCCCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000831263231 588417277 /nfs/dbraw/zinc/41/72/77/588417277.db2.gz FJTOZOZELIYKJB-UHFFFAOYSA-N 1 3 339.484 0.455 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000845023751 589128543 /nfs/dbraw/zinc/12/85/43/589128543.db2.gz VRXXLMZDYANFDP-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](N4CCCC4)C3)CC[C@H]21 ZINC000867380425 589133913 /nfs/dbraw/zinc/13/39/13/589133913.db2.gz IBCIOLULUJIDFR-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](N4CCCC4)C3)CC[C@H]21 ZINC000867380425 589133915 /nfs/dbraw/zinc/13/39/15/589133915.db2.gz IBCIOLULUJIDFR-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)CC[C@@H]21 ZINC000867411666 589195767 /nfs/dbraw/zinc/19/57/67/589195767.db2.gz QURSIWIPGOBPLP-ZACQAIPSSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)CC[C@@H]21 ZINC000867411666 589195769 /nfs/dbraw/zinc/19/57/69/589195769.db2.gz QURSIWIPGOBPLP-ZACQAIPSSA-N 1 3 348.491 0.626 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000846330111 589196683 /nfs/dbraw/zinc/19/66/83/589196683.db2.gz NTHKELBVCHNIKI-UHFFFAOYSA-N 1 3 348.447 0.907 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000849110338 589320504 /nfs/dbraw/zinc/32/05/04/589320504.db2.gz CUEDVHGABPXPOW-OAHLLOKOSA-N 1 3 325.501 0.943 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000851661309 589410682 /nfs/dbraw/zinc/41/06/82/589410682.db2.gz IQVIDZPLXNRYMN-UHFFFAOYSA-N 1 3 349.479 0.349 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000851685800 589414048 /nfs/dbraw/zinc/41/40/48/589414048.db2.gz GUYZMHMWCULMFR-IBGZPJMESA-N 1 3 346.475 0.822 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC(CC[NH3+])CC2)CC1 ZINC000852753993 589510410 /nfs/dbraw/zinc/51/04/10/589510410.db2.gz XBBRECSLUUZMKM-AWEZNQCLSA-N 1 3 340.468 0.736 20 0 ECADHO NC[C@H]1CC(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)=NO1 ZINC000852796695 589512408 /nfs/dbraw/zinc/51/24/08/589512408.db2.gz SOFOTAHVJPKNEB-GFCCVEGCSA-N 1 3 346.387 0.638 20 0 ECADHO NC[C@H]1CC(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)=NO1 ZINC000852893402 589523136 /nfs/dbraw/zinc/52/31/36/589523136.db2.gz VTQOQBPKTCWCOZ-OAHLLOKOSA-N 1 3 345.447 0.200 20 0 ECADHO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000852902714 589523792 /nfs/dbraw/zinc/52/37/92/589523792.db2.gz LJYOJTFCOGEYBC-ZWKOTPCHSA-N 1 3 347.459 0.638 20 0 ECADHO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346179 589627520 /nfs/dbraw/zinc/62/75/20/589627520.db2.gz QOPQINCPTWOZES-GXTWGEPZSA-N 1 3 330.498 0.296 20 0 ECADHO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346179 589627521 /nfs/dbraw/zinc/62/75/21/589627521.db2.gz QOPQINCPTWOZES-GXTWGEPZSA-N 1 3 330.498 0.296 20 0 ECADHO CN(CC1CN(C)C1)C(=O)/C=C/C=C/C(=O)N(C)CC1C[NH+](C)C1 ZINC000855640665 589639859 /nfs/dbraw/zinc/63/98/59/589639859.db2.gz BHXBJJUXCYQGAK-KQQUZDAGSA-N 1 3 334.464 0.139 20 0 ECADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(CCCOCC(F)(F)F)C1 ZINC000866708808 589760483 /nfs/dbraw/zinc/76/04/83/589760483.db2.gz HBTNIXGVYHIFTA-UTUOFQBUSA-N 1 3 337.342 0.822 20 0 ECADHO Cn1cnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1=O ZINC000888507354 589797272 /nfs/dbraw/zinc/79/72/72/589797272.db2.gz XRKHSTTZHILIEX-UHFFFAOYSA-N 1 3 348.451 0.460 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CCC1(C)C ZINC000867743603 589834470 /nfs/dbraw/zinc/83/44/70/589834470.db2.gz ULLCZGOKPVPSIR-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000861767674 589889909 /nfs/dbraw/zinc/88/99/09/589889909.db2.gz QEWRSEAQECXTIB-ZDUSSCGKSA-N 1 3 333.436 0.220 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)CC[C@@H]21 ZINC000868309587 589891367 /nfs/dbraw/zinc/89/13/67/589891367.db2.gz LWVDBXDPHBJOGM-PBHICJAKSA-N 1 3 342.443 0.823 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)CC[C@@H]21 ZINC000868309587 589891369 /nfs/dbraw/zinc/89/13/69/589891369.db2.gz LWVDBXDPHBJOGM-PBHICJAKSA-N 1 3 342.443 0.823 20 0 ECADHO CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCC1(C)C ZINC000868407260 589902532 /nfs/dbraw/zinc/90/25/32/589902532.db2.gz UACJMYBDFLBBFU-SOUVJXGZSA-N 1 3 336.480 0.515 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000868412993 589903493 /nfs/dbraw/zinc/90/34/93/589903493.db2.gz AVEWTERBXDGRBG-USXIJHARSA-N 1 3 348.491 0.802 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000868412993 589903497 /nfs/dbraw/zinc/90/34/97/589903497.db2.gz AVEWTERBXDGRBG-USXIJHARSA-N 1 3 348.491 0.802 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000863769534 590037251 /nfs/dbraw/zinc/03/72/51/590037251.db2.gz HFGZWXYLBWWZLW-HYVNUMGLSA-N 1 3 344.459 0.525 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(F)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000864610478 590088901 /nfs/dbraw/zinc/08/89/01/590088901.db2.gz ORKLMRZHXZUTAP-KBPBESRZSA-N 1 3 342.459 0.526 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(F)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000864610478 590088904 /nfs/dbraw/zinc/08/89/04/590088904.db2.gz ORKLMRZHXZUTAP-KBPBESRZSA-N 1 3 342.459 0.526 20 0 ECADHO CCO[C@H]1COCC[C@@H]1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000865178174 590129751 /nfs/dbraw/zinc/12/97/51/590129751.db2.gz SFAHXLSVYWMZDA-CVEARBPZSA-N 1 3 329.485 0.770 20 0 ECADHO COCCn1ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000865177768 590129826 /nfs/dbraw/zinc/12/98/26/590129826.db2.gz KYKAYSRDZPYOTD-UHFFFAOYSA-N 1 3 325.457 0.403 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000865609451 590151498 /nfs/dbraw/zinc/15/14/98/590151498.db2.gz MFTQONWCFYAVKE-KBPBESRZSA-N 1 3 342.484 0.899 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000865609451 590151499 /nfs/dbraw/zinc/15/14/99/590151499.db2.gz MFTQONWCFYAVKE-KBPBESRZSA-N 1 3 342.484 0.899 20 0 ECADHO CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCC1(C)C ZINC000875021709 590263289 /nfs/dbraw/zinc/26/32/89/590263289.db2.gz OXLODWODRBXYTO-UHFFFAOYSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1(C)C ZINC000875081920 590268589 /nfs/dbraw/zinc/26/85/89/590268589.db2.gz CGKGAQSMINHKER-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1(C)C ZINC000875081920 590268590 /nfs/dbraw/zinc/26/85/90/590268590.db2.gz CGKGAQSMINHKER-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875156423 590276480 /nfs/dbraw/zinc/27/64/80/590276480.db2.gz LGTJOEVSRFTTHR-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875156423 590276481 /nfs/dbraw/zinc/27/64/81/590276481.db2.gz LGTJOEVSRFTTHR-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCOC(=O)C1=CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000875835220 590336295 /nfs/dbraw/zinc/33/62/95/590336295.db2.gz HFRIQONSOWQMAS-HNNXBMFYSA-N 1 3 340.468 0.773 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000880251091 590378732 /nfs/dbraw/zinc/37/87/32/590378732.db2.gz YWXSXFXJDJLXIE-MRXNPFEDSA-N 1 3 338.496 0.249 20 0 ECADHO C[N@H+](C[C@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1)C1CC1 ZINC000880253838 590379673 /nfs/dbraw/zinc/37/96/73/590379673.db2.gz FLQAZWQHIICXNG-INIZCTEOSA-N 1 3 338.496 0.247 20 0 ECADHO C[N@@H+](C[C@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1)C1CC1 ZINC000880253838 590379674 /nfs/dbraw/zinc/37/96/74/590379674.db2.gz FLQAZWQHIICXNG-INIZCTEOSA-N 1 3 338.496 0.247 20 0 ECADHO C[C@@H]1CN(CCC(=O)N2CCN(C)CC2)CCN1c1cc[nH+]cc1 ZINC000880259993 590380597 /nfs/dbraw/zinc/38/05/97/590380597.db2.gz LYLNGHUFSMYYKS-MRXNPFEDSA-N 1 3 331.464 0.756 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876780782 590414607 /nfs/dbraw/zinc/41/46/07/590414607.db2.gz BIUWCTXNKDTCQK-GWCFXTLKSA-N 1 3 325.363 0.612 20 0 ECADHO COC[C@]1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCCN1 ZINC000877326788 590457215 /nfs/dbraw/zinc/45/72/15/590457215.db2.gz GHYZRUZYYPVOMF-YOEHRIQHSA-N 1 3 325.453 0.420 20 0 ECADHO CN(C)CCn1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cn1 ZINC000877355941 590460466 /nfs/dbraw/zinc/46/04/66/590460466.db2.gz PLLKGHAJITWRNV-CMPLNLGQSA-N 1 3 333.358 0.654 20 0 ECADHO COC(=O)[C@]12CN(CC(=O)NC3CC[NH+](C)CC3)C[C@H]1CCCC2 ZINC000878842914 590546850 /nfs/dbraw/zinc/54/68/50/590546850.db2.gz LIZPGPWIYXOYQY-RDTXWAMCSA-N 1 3 337.464 0.862 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883639442 590637792 /nfs/dbraw/zinc/63/77/92/590637792.db2.gz PLCXDPNGBCEUDB-CQSZACIVSA-N 1 3 345.447 0.329 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967418 590657550 /nfs/dbraw/zinc/65/75/50/590657550.db2.gz FIVDYAXOIJDCMK-HNNXBMFYSA-N 1 3 340.512 0.927 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000885009211 590667667 /nfs/dbraw/zinc/66/76/67/590667667.db2.gz NHPUKTXUWVXKIH-QDMKHBRRSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000885007789 590667881 /nfs/dbraw/zinc/66/78/81/590667881.db2.gz KGGVBFDSLAQNBM-YVSFHVDLSA-N 1 3 348.491 0.720 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885156283 590689697 /nfs/dbraw/zinc/68/96/97/590689697.db2.gz QCKYQTBFLYIVDU-DLBZAZTESA-N 1 3 344.459 0.418 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885156283 590689698 /nfs/dbraw/zinc/68/96/98/590689698.db2.gz QCKYQTBFLYIVDU-DLBZAZTESA-N 1 3 344.459 0.418 20 0 ECADHO CCN1CCN(CCNC(=O)c2ccccc2OCC[NH2+]C)CC1 ZINC000884233978 590785074 /nfs/dbraw/zinc/78/50/74/590785074.db2.gz DQUNAGUXDFPFAX-UHFFFAOYSA-N 1 3 334.464 0.652 20 0 ECADHO O=C(N[C@@H]1CNCCC1(F)F)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884298858 590798820 /nfs/dbraw/zinc/79/88/20/590798820.db2.gz FJWVGKMCFSWJSG-GFCCVEGCSA-N 1 3 325.363 0.218 20 0 ECADHO C[NH2+]CCOc1cccc(C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000884311599 590801932 /nfs/dbraw/zinc/80/19/32/590801932.db2.gz HAOOZNXGUHNVAV-UHFFFAOYSA-N 1 3 348.491 0.994 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000884502385 590844495 /nfs/dbraw/zinc/84/44/95/590844495.db2.gz IYUAIOPLKBLSQW-JKSUJKDBSA-N 1 3 338.496 0.953 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884546113 590853083 /nfs/dbraw/zinc/85/30/83/590853083.db2.gz AVSHTVXWLSKIMS-GFCCVEGCSA-N 1 3 334.411 0.196 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC(C)CC1 ZINC000884559089 590857649 /nfs/dbraw/zinc/85/76/49/590857649.db2.gz MEGQVXQSWWBQEL-HRCADAONSA-N 1 3 336.480 0.432 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884576338 590861378 /nfs/dbraw/zinc/86/13/78/590861378.db2.gz FMXYKZPAKUQDOI-MUJYYYPQSA-N 1 3 336.480 0.481 20 0 ECADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884578294 590862697 /nfs/dbraw/zinc/86/26/97/590862697.db2.gz XBQXZDTXUQWXHF-IRXDYDNUSA-N 1 3 342.443 0.124 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)[N@H+](C)C1CC1 ZINC000884617902 590873667 /nfs/dbraw/zinc/87/36/67/590873667.db2.gz UPTMVRJQBQCDNQ-BBRMVZONSA-N 1 3 344.459 0.416 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)[N@@H+](C)C1CC1 ZINC000884617902 590873669 /nfs/dbraw/zinc/87/36/69/590873669.db2.gz UPTMVRJQBQCDNQ-BBRMVZONSA-N 1 3 344.459 0.416 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884650225 590883515 /nfs/dbraw/zinc/88/35/15/590883515.db2.gz BWXHPGBKPRDXME-QGZVFWFLSA-N 1 3 326.485 0.668 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000884676099 590890023 /nfs/dbraw/zinc/89/00/23/590890023.db2.gz CAAFESCJGNBZBB-AWEZNQCLSA-N 1 3 345.447 0.377 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884700080 590900804 /nfs/dbraw/zinc/90/08/04/590900804.db2.gz MBJTZBOEJXBZSE-HUUCEWRRSA-N 1 3 347.463 0.608 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCC1(C)C ZINC000884701015 590900906 /nfs/dbraw/zinc/90/09/06/590900906.db2.gz ZBHWREZZCXLRPT-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CCN1c1ccncc1 ZINC000884715172 590905083 /nfs/dbraw/zinc/90/50/83/590905083.db2.gz KWEWUCCCVPAJMV-ZDUSSCGKSA-N 1 3 331.420 0.116 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000884782701 590921904 /nfs/dbraw/zinc/92/19/04/590921904.db2.gz KHKPEINWISNEQC-GOEBONIOSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887081449 590939690 /nfs/dbraw/zinc/93/96/90/590939690.db2.gz UFIVCPVBEHVIBU-MAUKXSAKSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000887091745 590943269 /nfs/dbraw/zinc/94/32/69/590943269.db2.gz VCMXPHGFJACKLK-GJZGRUSLSA-N 1 3 345.447 0.316 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946642955 611383659 /nfs/dbraw/zinc/38/36/59/611383659.db2.gz XHJKLSNLPZOKAE-QKPAOTATSA-N 1 3 338.496 0.761 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946642955 611383664 /nfs/dbraw/zinc/38/36/64/611383664.db2.gz XHJKLSNLPZOKAE-QKPAOTATSA-N 1 3 338.496 0.761 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000930652904 611450683 /nfs/dbraw/zinc/45/06/83/611450683.db2.gz OYZSPUHWBZNFRF-CQSZACIVSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000930652904 611450685 /nfs/dbraw/zinc/45/06/85/611450685.db2.gz OYZSPUHWBZNFRF-CQSZACIVSA-N 1 3 336.480 0.601 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765476 611461255 /nfs/dbraw/zinc/46/12/55/611461255.db2.gz OEODVPDDURDFLU-HLLBOEOZSA-N 1 3 338.496 0.489 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765476 611461257 /nfs/dbraw/zinc/46/12/57/611461257.db2.gz OEODVPDDURDFLU-HLLBOEOZSA-N 1 3 338.496 0.489 20 0 ECADHO CC[NH+]1CCC(N2CCCN(C(=O)NC[C@@H]3CCN3C)CC2)CC1 ZINC000925424868 611481800 /nfs/dbraw/zinc/48/18/00/611481800.db2.gz BMPSLMKRHLPDQW-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO Cn1ccn2c(CCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)nnc2c1=O ZINC000925773419 611499596 /nfs/dbraw/zinc/49/95/96/611499596.db2.gz NIXQUQXUJWQQJY-RRFJBIMHSA-N 1 3 344.463 0.871 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000947500668 611568322 /nfs/dbraw/zinc/56/83/22/611568322.db2.gz SOHXRKVVWOHZOZ-AWEZNQCLSA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000947500668 611568326 /nfs/dbraw/zinc/56/83/26/611568326.db2.gz SOHXRKVVWOHZOZ-AWEZNQCLSA-N 1 3 347.463 0.710 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000948414667 611581533 /nfs/dbraw/zinc/58/15/33/611581533.db2.gz ZDWMUIFGDCBSGE-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000948414667 611581536 /nfs/dbraw/zinc/58/15/36/611581536.db2.gz ZDWMUIFGDCBSGE-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000948414668 611581733 /nfs/dbraw/zinc/58/17/33/611581733.db2.gz ZDWMUIFGDCBSGE-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000948414668 611581734 /nfs/dbraw/zinc/58/17/34/611581734.db2.gz ZDWMUIFGDCBSGE-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)CC[N@@H+]1CCn1cncn1 ZINC000947726218 608969567 /nfs/dbraw/zinc/96/95/67/608969567.db2.gz KTNHZROABKQYPW-JKSUJKDBSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)CC[N@H+]1CCn1cncn1 ZINC000947726218 608969570 /nfs/dbraw/zinc/96/95/70/608969570.db2.gz KTNHZROABKQYPW-JKSUJKDBSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000927033730 609489608 /nfs/dbraw/zinc/48/96/08/609489608.db2.gz QBIMGFJYONBTLZ-ZFWWWQNUSA-N 1 3 344.477 0.683 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000938320770 609734558 /nfs/dbraw/zinc/73/45/58/609734558.db2.gz MSFRUPJNDSEOOW-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@H](C(N)=O)N1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948743607 611710317 /nfs/dbraw/zinc/71/03/17/611710317.db2.gz ZDPFDBJTJWPCGR-JKSUJKDBSA-N 1 3 338.496 0.905 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)c1ccccc1 ZINC000910964130 609783800 /nfs/dbraw/zinc/78/38/00/609783800.db2.gz SVVXCGGOXWJBMT-OAHLLOKOSA-N 1 3 332.448 0.793 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+])N1CCCCC1 ZINC000910947376 609785425 /nfs/dbraw/zinc/78/54/25/609785425.db2.gz WVKSZOPWJUVFLG-RKVPGOIHSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000910969767 609785708 /nfs/dbraw/zinc/78/57/08/609785708.db2.gz GWHWFMJTOXVNDB-DLBZAZTESA-N 1 3 346.475 0.473 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N(C)Cc1ccccc1 ZINC000911011009 609794008 /nfs/dbraw/zinc/79/40/08/609794008.db2.gz ZZQZLUAUPBPFCA-ZBFHGGJFSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911028438 609794707 /nfs/dbraw/zinc/79/47/07/609794707.db2.gz IBTNURWMMMUDHN-LVQVYYBASA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+])N1CCC(C)CC1 ZINC000911089887 609807684 /nfs/dbraw/zinc/80/76/84/609807684.db2.gz GIXPUUCTZSDRRH-IIDMSEBBSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)N1CCC(C)CC1 ZINC000911090318 609807831 /nfs/dbraw/zinc/80/78/31/609807831.db2.gz HCRKKYNSHDRHLJ-ARFHVFGLSA-N 1 3 338.496 0.666 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911209051 609825691 /nfs/dbraw/zinc/82/56/91/609825691.db2.gz LORYZIBAFCCEIE-YJBOKZPZSA-N 1 3 336.480 0.722 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000911443147 609873422 /nfs/dbraw/zinc/87/34/22/609873422.db2.gz QCFSNNHRVTXZNY-HDMKZQKVSA-N 1 3 336.480 0.576 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000911532497 609886392 /nfs/dbraw/zinc/88/63/92/609886392.db2.gz MAFRUIDEFCTFCW-ZNMIVQPWSA-N 1 3 336.480 0.420 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@H]21 ZINC000911520289 609891318 /nfs/dbraw/zinc/89/13/18/609891318.db2.gz NGWSEFUAXGHIPE-RKTXRCNFSA-N 1 3 342.443 0.280 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@H]21 ZINC000911520289 609891320 /nfs/dbraw/zinc/89/13/20/609891320.db2.gz NGWSEFUAXGHIPE-RKTXRCNFSA-N 1 3 342.443 0.280 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911564716 609897504 /nfs/dbraw/zinc/89/75/04/609897504.db2.gz VKQSKFRWEZDDOQ-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000938682009 609937074 /nfs/dbraw/zinc/93/70/74/609937074.db2.gz VJSXTEILTMAFBK-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000938682009 609937076 /nfs/dbraw/zinc/93/70/76/609937076.db2.gz VJSXTEILTMAFBK-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)CCn1nccc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000912347040 609947908 /nfs/dbraw/zinc/94/79/08/609947908.db2.gz JPUMQMFLJTZVAU-UHFFFAOYSA-N 1 3 349.479 0.818 20 0 ECADHO CCO[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C[NH+](C)C ZINC000916841661 609951174 /nfs/dbraw/zinc/95/11/74/609951174.db2.gz GVGXCAMOKSXFSS-RRFJBIMHSA-N 1 3 328.457 0.116 20 0 ECADHO CC[C@H](C(=O)N1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000947255774 610035612 /nfs/dbraw/zinc/03/56/12/610035612.db2.gz ZTIZACVIFNHPGS-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000947255774 610035613 /nfs/dbraw/zinc/03/56/13/610035613.db2.gz ZTIZACVIFNHPGS-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000938911600 610038918 /nfs/dbraw/zinc/03/89/18/610038918.db2.gz LDGOVMKQXGRZEW-ZFWWWQNUSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938911600 610038920 /nfs/dbraw/zinc/03/89/20/610038920.db2.gz LDGOVMKQXGRZEW-ZFWWWQNUSA-N 1 3 333.436 0.353 20 0 ECADHO Cc1nc(CN[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)n[nH]1 ZINC000939813354 610137847 /nfs/dbraw/zinc/13/78/47/610137847.db2.gz ZQRCHCVUKYKLOR-UKRRQHHQSA-N 1 3 334.468 0.926 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000940512666 610293825 /nfs/dbraw/zinc/29/38/25/610293825.db2.gz IXXNQDFXIDSQMU-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000940512666 610293826 /nfs/dbraw/zinc/29/38/26/610293826.db2.gz IXXNQDFXIDSQMU-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000941634721 610420615 /nfs/dbraw/zinc/42/06/15/610420615.db2.gz GNTGTTIGRSMEIZ-ZACQAIPSSA-N 1 3 348.491 0.672 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000941639096 610423835 /nfs/dbraw/zinc/42/38/35/610423835.db2.gz ONUGQBZPBQZBRX-SJLPKXTDSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000941694540 610467516 /nfs/dbraw/zinc/46/75/16/610467516.db2.gz MSFRUPJNDSEOOW-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1C[N@H+](CCn2cncn2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558363 610511241 /nfs/dbraw/zinc/51/12/41/610511241.db2.gz VVYDDITVZIEZAZ-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558363 610511244 /nfs/dbraw/zinc/51/12/44/610511244.db2.gz VVYDDITVZIEZAZ-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1CN(CCn2cncn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597955 610531241 /nfs/dbraw/zinc/53/12/41/610531241.db2.gz OURCVFSCCUSGPB-GDBMZVCRSA-N 1 3 334.468 0.447 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)N(C)C ZINC000941351028 610686917 /nfs/dbraw/zinc/68/69/17/610686917.db2.gz CROMCLMBCAAZHB-JKSUJKDBSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CN(CCn2cncn2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942257099 610713743 /nfs/dbraw/zinc/71/37/43/610713743.db2.gz JBLSBRNUTNGKHG-HZPDHXFCSA-N 1 3 346.479 0.733 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000944266037 610813274 /nfs/dbraw/zinc/81/32/74/610813274.db2.gz CRPRTCBRYRPHKO-BZUAXINKSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000944266037 610813276 /nfs/dbraw/zinc/81/32/76/610813276.db2.gz CRPRTCBRYRPHKO-BZUAXINKSA-N 1 3 338.496 0.632 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)CN2CCCC2)CC3)C1 ZINC000944941181 610843989 /nfs/dbraw/zinc/84/39/89/610843989.db2.gz WNSLYLUUBOXILG-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)CN2CCCC2)CC3)C1 ZINC000944941181 610843990 /nfs/dbraw/zinc/84/39/90/610843990.db2.gz WNSLYLUUBOXILG-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC000945072170 610901558 /nfs/dbraw/zinc/90/15/58/610901558.db2.gz AIZOAYHFMIUCNI-CQSZACIVSA-N 1 3 345.447 0.355 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC000945072170 610901560 /nfs/dbraw/zinc/90/15/60/610901560.db2.gz AIZOAYHFMIUCNI-CQSZACIVSA-N 1 3 345.447 0.355 20 0 ECADHO CC(C)OCC[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413491 611240543 /nfs/dbraw/zinc/24/05/43/611240543.db2.gz GJZQVGIOELAFNC-TUVASFSCSA-N 1 3 327.425 0.029 20 0 ECADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@H](O)Cc2ccccc2)C1 ZINC000923415427 611240876 /nfs/dbraw/zinc/24/08/76/611240876.db2.gz PQIMALWXJNXGBU-VQHPVUNQSA-N 1 3 331.416 0.457 20 0 ECADHO NC(=O)CCN(Cc1ccccc1)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923489917 611250883 /nfs/dbraw/zinc/25/08/83/611250883.db2.gz ZKEYMPOSIOKGHU-INIZCTEOSA-N 1 3 332.448 0.561 20 0 ECADHO C[C@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)CC[C@H]1C[NH3+] ZINC000923498542 611252117 /nfs/dbraw/zinc/25/21/17/611252117.db2.gz ORUPXBIYORSFTG-GJZGRUSLSA-N 1 3 332.452 0.042 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946517541 611296401 /nfs/dbraw/zinc/29/64/01/611296401.db2.gz IMHDOIACEPOSLK-YYIAUSFCSA-N 1 3 348.491 0.530 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946517541 611296403 /nfs/dbraw/zinc/29/64/03/611296403.db2.gz IMHDOIACEPOSLK-YYIAUSFCSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518440 611297523 /nfs/dbraw/zinc/29/75/23/611297523.db2.gz UKWQKHDHKAUIFT-XUWVNRHRSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518440 611297524 /nfs/dbraw/zinc/29/75/24/611297524.db2.gz UKWQKHDHKAUIFT-XUWVNRHRSA-N 1 3 336.480 0.515 20 0 ECADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2C[NH2+]CCCO2)cc(Cl)n1 ZINC000834860538 611304792 /nfs/dbraw/zinc/30/47/92/611304792.db2.gz BSRDDQYIUMXMFR-CHWSQXEVSA-N 1 3 326.828 0.928 20 0 ECADHO CC(C)CN(CC1CCN(C)CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923670948 611339474 /nfs/dbraw/zinc/33/94/74/611339474.db2.gz DFVPOEADJSSHKK-UHFFFAOYSA-N 1 3 332.514 0.436 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCN1CCNC1=O ZINC000947935584 611747172 /nfs/dbraw/zinc/74/71/72/611747172.db2.gz RWNDVOMRSDDJOW-CABCVRRESA-N 1 3 349.479 0.077 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@@H]21 ZINC000933855806 611754468 /nfs/dbraw/zinc/75/44/68/611754468.db2.gz OYPLXQXRBGFWFE-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@@H]21 ZINC000933855806 611754470 /nfs/dbraw/zinc/75/44/70/611754470.db2.gz OYPLXQXRBGFWFE-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000949959501 611828879 /nfs/dbraw/zinc/82/88/79/611828879.db2.gz IIYINPMTKYKWSM-FVQBIDKESA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000955342326 612467218 /nfs/dbraw/zinc/46/72/18/612467218.db2.gz XDTKGTMJRBCDSV-AWEZNQCLSA-N 1 3 334.464 0.236 20 0 ECADHO CN(CC(=O)N1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC000954824278 612716542 /nfs/dbraw/zinc/71/65/42/612716542.db2.gz IJVSKBSMAQVQPP-UHFFFAOYSA-N 1 3 348.491 0.768 20 0 ECADHO C[N@H+]([C@@H]1CCN(C(=O)c2ccn3cncc3c2)C1)[C@@H]1CCCNC1=O ZINC000971871226 735286532 /nfs/dbraw/zinc/28/65/32/735286532.db2.gz CHQFVOOGDRGQEX-GDBMZVCRSA-N 1 3 341.415 0.759 20 0 ECADHO C[N@@H+]([C@@H]1CCN(C(=O)c2ccn3cncc3c2)C1)[C@@H]1CCCNC1=O ZINC000971871226 735286535 /nfs/dbraw/zinc/28/65/35/735286535.db2.gz CHQFVOOGDRGQEX-GDBMZVCRSA-N 1 3 341.415 0.759 20 0 ECADHO O=C(N1CC[C@]2(CCN([C@H]3CCCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001041789185 782212529 /nfs/dbraw/zinc/21/25/29/782212529.db2.gz NEKZIMZGHWPKFV-YJBOKZPZSA-N 1 3 346.475 0.285 20 0 ECADHO CC(C)OCC[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561411 735503803 /nfs/dbraw/zinc/50/38/03/735503803.db2.gz BPYRVMGMCFFHME-UHFFFAOYSA-N 1 3 341.496 0.793 20 0 ECADHO CC(C)OCC[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561411 735503807 /nfs/dbraw/zinc/50/38/07/735503807.db2.gz BPYRVMGMCFFHME-UHFFFAOYSA-N 1 3 341.496 0.793 20 0 ECADHO Cc1nccnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC000969135414 731517668 /nfs/dbraw/zinc/51/76/68/731517668.db2.gz ISWWJHLAWSKUDG-LSDHHAIUSA-N 1 3 340.431 0.935 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001078073484 782252398 /nfs/dbraw/zinc/25/23/98/782252398.db2.gz IFGJPYVKEMXFQY-UONOGXRCSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC000969846394 732435553 /nfs/dbraw/zinc/43/55/53/732435553.db2.gz UYVOMSUXACMCQL-ZMSDIMECSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC000969961044 732565165 /nfs/dbraw/zinc/56/51/65/732565165.db2.gz ZIEABSYPWIIEAQ-GDBMZVCRSA-N 1 3 332.448 0.418 20 0 ECADHO C[C@@H](CCNC(=O)CCC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC001078084829 782277753 /nfs/dbraw/zinc/27/77/53/782277753.db2.gz LFFRSIKEVZTSCY-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000970357327 733395271 /nfs/dbraw/zinc/39/52/71/733395271.db2.gz OJCIHEXKFYSJMF-MRXNPFEDSA-N 1 3 349.479 0.530 20 0 ECADHO CC(C)(C)N1CC[C@@H](N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000970494268 733612874 /nfs/dbraw/zinc/61/28/74/733612874.db2.gz ODZIQEIKYCFQRH-HUUCEWRRSA-N 1 3 348.491 0.672 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC000970711585 733858770 /nfs/dbraw/zinc/85/87/70/733858770.db2.gz GCBMBUFUEAKMGF-UKRRQHHQSA-N 1 3 333.436 0.436 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC000970711585 733858775 /nfs/dbraw/zinc/85/87/75/733858775.db2.gz GCBMBUFUEAKMGF-UKRRQHHQSA-N 1 3 333.436 0.436 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)CCC[C@H](C)O)CC1 ZINC001098540758 733861500 /nfs/dbraw/zinc/86/15/00/733861500.db2.gz XZCUVNMWFPBFTR-INIZCTEOSA-N 1 3 343.512 0.775 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)CCC[C@H](C)O)CC1 ZINC001098540758 733861503 /nfs/dbraw/zinc/86/15/03/733861503.db2.gz XZCUVNMWFPBFTR-INIZCTEOSA-N 1 3 343.512 0.775 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)c1 ZINC000970786320 733938500 /nfs/dbraw/zinc/93/85/00/733938500.db2.gz UQJKCPUAUVQLNF-IAGOWNOFSA-N 1 3 344.459 0.831 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000970796250 733947105 /nfs/dbraw/zinc/94/71/05/733947105.db2.gz KGPMUDDJLPZROB-WBVHZDCISA-N 1 3 344.459 0.831 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291339 734004227 /nfs/dbraw/zinc/00/42/27/734004227.db2.gz MUJIYGTVSOPEOL-UNEWFSDZSA-N 1 3 338.496 0.537 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001167385662 734113426 /nfs/dbraw/zinc/11/34/26/734113426.db2.gz NHLDZFYQHMYBOZ-CABCVRRESA-N 1 3 338.496 0.999 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H]3CCc4ncnn43)C2)CCC1 ZINC000971674530 734935265 /nfs/dbraw/zinc/93/52/65/734935265.db2.gz UWGFJVGAWBXACS-CABCVRRESA-N 1 3 346.479 0.782 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)C[C@@H]3CCc4ncnn43)C2)CCC1 ZINC000971674530 734935266 /nfs/dbraw/zinc/93/52/66/734935266.db2.gz UWGFJVGAWBXACS-CABCVRRESA-N 1 3 346.479 0.782 20 0 ECADHO CCOCC[N@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572500 736276123 /nfs/dbraw/zinc/27/61/23/736276123.db2.gz KTBBZZQVQNWPHF-UHFFFAOYSA-N 1 3 329.485 0.648 20 0 ECADHO CCOCC[N@@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572500 736276127 /nfs/dbraw/zinc/27/61/27/736276127.db2.gz KTBBZZQVQNWPHF-UHFFFAOYSA-N 1 3 329.485 0.648 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023130108 736525080 /nfs/dbraw/zinc/52/50/80/736525080.db2.gz AJPRZQSCRPMVTL-GASCZTMLSA-N 1 3 342.447 0.927 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001067461865 736953028 /nfs/dbraw/zinc/95/30/28/736953028.db2.gz QEASSSBLYPJJFR-HZPDHXFCSA-N 1 3 340.512 0.831 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001067461865 736953032 /nfs/dbraw/zinc/95/30/32/736953032.db2.gz QEASSSBLYPJJFR-HZPDHXFCSA-N 1 3 340.512 0.831 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC000972741482 737583359 /nfs/dbraw/zinc/58/33/59/737583359.db2.gz CJGSUTWMMDBLEK-WFASDCNBSA-N 1 3 331.420 0.182 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC000972741482 737583360 /nfs/dbraw/zinc/58/33/60/737583360.db2.gz CJGSUTWMMDBLEK-WFASDCNBSA-N 1 3 331.420 0.182 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC000972743026 737584752 /nfs/dbraw/zinc/58/47/52/737584752.db2.gz MZLXVDCFNAKYPT-CZUORRHYSA-N 1 3 345.447 0.573 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC000972743026 737584755 /nfs/dbraw/zinc/58/47/55/737584755.db2.gz MZLXVDCFNAKYPT-CZUORRHYSA-N 1 3 345.447 0.573 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC001024156965 737784865 /nfs/dbraw/zinc/78/48/65/737784865.db2.gz VVUBGOCBDIQTNL-HUUCEWRRSA-N 1 3 334.468 0.485 20 0 ECADHO COc1cncc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001024264414 737870839 /nfs/dbraw/zinc/87/08/39/737870839.db2.gz QLTPJAYXBIPIGE-LSDHHAIUSA-N 1 3 347.463 0.765 20 0 ECADHO COc1cncc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024264414 737870841 /nfs/dbraw/zinc/87/08/41/737870841.db2.gz QLTPJAYXBIPIGE-LSDHHAIUSA-N 1 3 347.463 0.765 20 0 ECADHO C[C@H](O)CN1CCCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024702615 738227958 /nfs/dbraw/zinc/22/79/58/738227958.db2.gz XSTOIYVEIPCVQM-GOEBONIOSA-N 1 3 337.468 0.410 20 0 ECADHO Cn1cc(CCN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001024800430 738305579 /nfs/dbraw/zinc/30/55/79/738305579.db2.gz FERQTWORUANPHH-SJORKVTESA-N 1 3 333.480 0.885 20 0 ECADHO Cn1cc(CCN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001024800430 738305583 /nfs/dbraw/zinc/30/55/83/738305583.db2.gz FERQTWORUANPHH-SJORKVTESA-N 1 3 333.480 0.885 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000973461694 739331964 /nfs/dbraw/zinc/33/19/64/739331964.db2.gz DJQHDJFVUFTMJK-JYJNAYRXSA-N 1 3 348.491 0.863 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001025778836 739936736 /nfs/dbraw/zinc/93/67/36/739936736.db2.gz IUBAUGOIGOXODO-LEOABGAYSA-N 1 3 334.464 0.136 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001025778836 739936738 /nfs/dbraw/zinc/93/67/38/739936738.db2.gz IUBAUGOIGOXODO-LEOABGAYSA-N 1 3 334.464 0.136 20 0 ECADHO CCn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC001026043973 740327775 /nfs/dbraw/zinc/32/77/75/740327775.db2.gz IOGHSERKLGCAOO-KTQBOKQISA-N 1 3 345.491 0.690 20 0 ECADHO CCn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC001026043973 740327780 /nfs/dbraw/zinc/32/77/80/740327780.db2.gz IOGHSERKLGCAOO-KTQBOKQISA-N 1 3 345.491 0.690 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@]34CCOC4)C[C@H]21 ZINC001026142853 740416377 /nfs/dbraw/zinc/41/63/77/740416377.db2.gz ZHZUIEQYDODMEX-MIMASFHYSA-N 1 3 330.432 0.734 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@]34CCOC4)C[C@H]21 ZINC001026142853 740416379 /nfs/dbraw/zinc/41/63/79/740416379.db2.gz ZHZUIEQYDODMEX-MIMASFHYSA-N 1 3 330.432 0.734 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001026148359 740423142 /nfs/dbraw/zinc/42/31/42/740423142.db2.gz BRRVKLBXNDVJDX-RFEVWBHWSA-N 1 3 345.491 0.882 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001026148359 740423144 /nfs/dbraw/zinc/42/31/44/740423144.db2.gz BRRVKLBXNDVJDX-RFEVWBHWSA-N 1 3 345.491 0.882 20 0 ECADHO Cn1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)n1 ZINC001026421368 741337472 /nfs/dbraw/zinc/33/74/72/741337472.db2.gz SCOKGVPMNXVHFC-USXIJHARSA-N 1 3 331.464 0.843 20 0 ECADHO Cn1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@H]23)n1 ZINC001026421367 741337597 /nfs/dbraw/zinc/33/75/97/741337597.db2.gz SCOKGVPMNXVHFC-HYVNUMGLSA-N 1 3 331.464 0.843 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC001026598618 741596376 /nfs/dbraw/zinc/59/63/76/741596376.db2.gz QAPNVGNIPIDJRD-NRXISQOPSA-N 1 3 347.463 0.898 20 0 ECADHO CC[N@H+](C)C(C)(C)C(=O)N1CC(n2cc(CNCC3CC3)nn2)C1 ZINC001105272867 741618384 /nfs/dbraw/zinc/61/83/84/741618384.db2.gz RUNYXFSCPUNRSN-UHFFFAOYSA-N 1 3 334.468 0.891 20 0 ECADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC(n2cc(CNCC3CC3)nn2)C1 ZINC001105272867 741618386 /nfs/dbraw/zinc/61/83/86/741618386.db2.gz RUNYXFSCPUNRSN-UHFFFAOYSA-N 1 3 334.468 0.891 20 0 ECADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)N(C)C ZINC000974593639 741928033 /nfs/dbraw/zinc/92/80/33/741928033.db2.gz WHWCWTYNCCJKKH-OWCLPIDISA-N 1 3 348.491 0.482 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](CNCc2cnns2)C1 ZINC001026846835 741953973 /nfs/dbraw/zinc/95/39/73/741953973.db2.gz FGLVTPMCVAEEID-DOMZBBRYSA-N 1 3 335.477 0.818 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)on1 ZINC001026889088 742028379 /nfs/dbraw/zinc/02/83/79/742028379.db2.gz RXVBZCQFVNFVTC-WBMJQRKESA-N 1 3 336.436 0.962 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)on1 ZINC001026889085 742028511 /nfs/dbraw/zinc/02/85/11/742028511.db2.gz RXVBZCQFVNFVTC-BLLLJJGKSA-N 1 3 336.436 0.962 20 0 ECADHO CCn1c(C)nnc1CNC[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001026886598 742042294 /nfs/dbraw/zinc/04/22/94/742042294.db2.gz BEVRGUKHLRJRKU-WMLDXEAASA-N 1 3 348.495 0.885 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026935309 742117756 /nfs/dbraw/zinc/11/77/56/742117756.db2.gz LSRFUABTPHXVGW-WBVHZDCISA-N 1 3 348.495 0.874 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026935309 742117760 /nfs/dbraw/zinc/11/77/60/742117760.db2.gz LSRFUABTPHXVGW-WBVHZDCISA-N 1 3 348.495 0.874 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001026935306 742117788 /nfs/dbraw/zinc/11/77/88/742117788.db2.gz LSRFUABTPHXVGW-DOTOQJQBSA-N 1 3 348.495 0.874 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001026935306 742117796 /nfs/dbraw/zinc/11/77/96/742117796.db2.gz LSRFUABTPHXVGW-DOTOQJQBSA-N 1 3 348.495 0.874 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cscn3)C2)C1 ZINC001020506891 751722584 /nfs/dbraw/zinc/72/25/84/751722584.db2.gz DPKKYTOCRASIMW-UMVBOHGHSA-N 1 3 338.477 0.989 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC000975201238 742594526 /nfs/dbraw/zinc/59/45/26/742594526.db2.gz AJWZDJMWASCKJK-GVDBMIGSSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC000975201238 742594530 /nfs/dbraw/zinc/59/45/30/742594530.db2.gz AJWZDJMWASCKJK-GVDBMIGSSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)c1ccncc1C(=O)NC[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001028934421 742908924 /nfs/dbraw/zinc/90/89/24/742908924.db2.gz DSTLFIHEWZOHCA-CYBMUJFWSA-N 1 3 345.447 0.478 20 0 ECADHO CN(C)c1ccncc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001028934421 742908928 /nfs/dbraw/zinc/90/89/28/742908928.db2.gz DSTLFIHEWZOHCA-CYBMUJFWSA-N 1 3 345.447 0.478 20 0 ECADHO CC(C)(C)N1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000997039540 743159700 /nfs/dbraw/zinc/15/97/00/743159700.db2.gz DGPRHSJVRSJHKW-OAHLLOKOSA-N 1 3 347.463 0.932 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001029003784 743160657 /nfs/dbraw/zinc/16/06/57/743160657.db2.gz PWSRMXWARAYLRF-HZPDHXFCSA-N 1 3 334.468 0.591 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001029003784 743160662 /nfs/dbraw/zinc/16/06/62/743160662.db2.gz PWSRMXWARAYLRF-HZPDHXFCSA-N 1 3 334.468 0.591 20 0 ECADHO NC(=O)c1cccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000997040297 743161153 /nfs/dbraw/zinc/16/11/53/743161153.db2.gz FPLLZSQKIHVHDJ-UHFFFAOYSA-N 1 3 341.415 0.832 20 0 ECADHO Cn1c(Cl)cnc1CNC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027214919 743185659 /nfs/dbraw/zinc/18/56/59/743185659.db2.gz ACAGGUDDZDDMED-OLZOCXBDSA-N 1 3 339.871 0.963 20 0 ECADHO Cn1c(Cl)cnc1CNC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027214919 743185665 /nfs/dbraw/zinc/18/56/65/743185665.db2.gz ACAGGUDDZDDMED-OLZOCXBDSA-N 1 3 339.871 0.963 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001027234689 743248260 /nfs/dbraw/zinc/24/82/60/743248260.db2.gz CEVVPURZXNCVKU-GOEBONIOSA-N 1 3 334.468 0.628 20 0 ECADHO CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000997613500 743710241 /nfs/dbraw/zinc/71/02/41/743710241.db2.gz NZCYKPZZZUGPOI-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001020590983 751857449 /nfs/dbraw/zinc/85/74/49/751857449.db2.gz ACLLFIZDTRUPBF-HDJSIYSDSA-N 1 3 334.468 0.767 20 0 ECADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCc3ncnn32)CC1)N(C)C ZINC000997856333 743853833 /nfs/dbraw/zinc/85/38/33/743853833.db2.gz UIDRDVQQESHRLF-HZPDHXFCSA-N 1 3 348.495 0.934 20 0 ECADHO CCn1nncc1C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000998082000 743967196 /nfs/dbraw/zinc/96/71/96/743967196.db2.gz NALYRYDBCVOALY-HNNXBMFYSA-N 1 3 348.495 0.968 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000998084600 743970086 /nfs/dbraw/zinc/97/00/86/743970086.db2.gz DNKSGRFVODGQEF-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000998289435 744101127 /nfs/dbraw/zinc/10/11/27/744101127.db2.gz LZFPSJWCIZPQTF-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CC(=O)N1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1)C1CCC1 ZINC000982297202 751904114 /nfs/dbraw/zinc/90/41/14/751904114.db2.gz ACWFVNHZWBQMCB-LZQZEXGQSA-N 1 3 348.491 0.530 20 0 ECADHO CN(CC(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1)C1CCC1 ZINC000982297202 751904119 /nfs/dbraw/zinc/90/41/19/751904119.db2.gz ACWFVNHZWBQMCB-LZQZEXGQSA-N 1 3 348.491 0.530 20 0 ECADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC000976868666 744425215 /nfs/dbraw/zinc/42/52/15/744425215.db2.gz HQOVYVLAVWJRFM-QLPKVWCKSA-N 1 3 346.475 0.140 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000999407987 744681251 /nfs/dbraw/zinc/68/12/51/744681251.db2.gz YYVDKIGPNFPIAT-ODIFPOPNSA-N 1 3 346.475 0.949 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC000999431262 744694514 /nfs/dbraw/zinc/69/45/14/744694514.db2.gz BYPXUGAFXFKYIE-GJZGRUSLSA-N 1 3 339.484 0.178 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC000977195912 744747507 /nfs/dbraw/zinc/74/75/07/744747507.db2.gz JCUIBOCUDAJTDY-IVFVNLKQSA-N 1 3 348.491 0.384 20 0 ECADHO COc1ncc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC000999833652 744928662 /nfs/dbraw/zinc/92/86/62/744928662.db2.gz BBIPHOWRGFOLFF-IUDNXUCKSA-N 1 3 347.463 0.824 20 0 ECADHO COc1ncc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC000999833652 744928666 /nfs/dbraw/zinc/92/86/66/744928666.db2.gz BBIPHOWRGFOLFF-IUDNXUCKSA-N 1 3 347.463 0.824 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000999895479 745027245 /nfs/dbraw/zinc/02/72/45/745027245.db2.gz CLWCCHSHOIWQCB-CQSZACIVSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000999895479 745027247 /nfs/dbraw/zinc/02/72/47/745027247.db2.gz CLWCCHSHOIWQCB-CQSZACIVSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001029108047 745100815 /nfs/dbraw/zinc/10/08/15/745100815.db2.gz VWQSVDBMNILLRB-GUYCJALGSA-N 1 3 348.495 0.872 20 0 ECADHO CCn1nncc1CN[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001000189191 745325298 /nfs/dbraw/zinc/32/52/98/745325298.db2.gz DBEGYUUXLGHRTL-GJZGRUSLSA-N 1 3 334.468 0.863 20 0 ECADHO CCn1nncc1CN[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001000189191 745325302 /nfs/dbraw/zinc/32/53/02/745325302.db2.gz DBEGYUUXLGHRTL-GJZGRUSLSA-N 1 3 334.468 0.863 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001000193345 745329232 /nfs/dbraw/zinc/32/92/32/745329232.db2.gz PMYQHEVTXIYSDD-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C[C@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000977762460 745487872 /nfs/dbraw/zinc/48/78/72/745487872.db2.gz VMUABMDWIXJYIH-IAGOWNOFSA-N 1 3 348.491 0.483 20 0 ECADHO Cn1nccc1CN[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001000574644 745610251 /nfs/dbraw/zinc/61/02/51/745610251.db2.gz VALBMSXUBKFSKZ-HNNXBMFYSA-N 1 3 349.479 0.612 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360816 752020929 /nfs/dbraw/zinc/02/09/29/752020929.db2.gz JXMQXWVITGPEQW-UHFFFAOYSA-N 1 3 332.452 0.647 20 0 ECADHO COCCN1CC=C(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001000694291 745705515 /nfs/dbraw/zinc/70/55/15/745705515.db2.gz XRKFTHHMLZHTQX-UHFFFAOYSA-N 1 3 335.452 0.453 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(CCn3cccn3)CC2)CC[N@@H+]1C ZINC001000700803 745708631 /nfs/dbraw/zinc/70/86/31/745708631.db2.gz YJAMTHIIIZSTFO-NVXWUHKLSA-N 1 3 331.464 0.972 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(CCn3cccn3)CC2)CC[N@H+]1C ZINC001000700803 745708635 /nfs/dbraw/zinc/70/86/35/745708635.db2.gz YJAMTHIIIZSTFO-NVXWUHKLSA-N 1 3 331.464 0.972 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000978067044 745850870 /nfs/dbraw/zinc/85/08/70/745850870.db2.gz LGSVMEQLMMGSKM-CVEARBPZSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000984124655 745868419 /nfs/dbraw/zinc/86/84/19/745868419.db2.gz YOUJKRAJDCMURU-FMKPAKJESA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000984124655 745868426 /nfs/dbraw/zinc/86/84/26/745868426.db2.gz YOUJKRAJDCMURU-FMKPAKJESA-N 1 3 347.463 0.647 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001000991939 745957315 /nfs/dbraw/zinc/95/73/15/745957315.db2.gz JZOBYHFOKMELIH-RDJZCZTQSA-N 1 3 344.459 0.831 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1CCn1cncn1 ZINC001087578671 746088511 /nfs/dbraw/zinc/08/85/11/746088511.db2.gz ISTBGGKNVDAWRY-MWDXBVQZSA-N 1 3 348.495 0.978 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1CCn1cncn1 ZINC001087578671 746088516 /nfs/dbraw/zinc/08/85/16/746088516.db2.gz ISTBGGKNVDAWRY-MWDXBVQZSA-N 1 3 348.495 0.978 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CCN(CCc2ccnn2C)CC1 ZINC001001149785 746117159 /nfs/dbraw/zinc/11/71/59/746117159.db2.gz ARKBSNPLCJEEHU-CRAIPNDOSA-N 1 3 345.491 0.909 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(CCc2ccnn2C)CC1 ZINC001001149785 746117163 /nfs/dbraw/zinc/11/71/63/746117163.db2.gz ARKBSNPLCJEEHU-CRAIPNDOSA-N 1 3 345.491 0.909 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CCN([C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001001420940 746360413 /nfs/dbraw/zinc/36/04/13/746360413.db2.gz RCKZLZWGZZSUPI-BMFZPTHFSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CCN([C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001001420940 746360419 /nfs/dbraw/zinc/36/04/19/746360419.db2.gz RCKZLZWGZZSUPI-BMFZPTHFSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)Cc1ccsc1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001459142 746398688 /nfs/dbraw/zinc/39/86/88/746398688.db2.gz DMOCYCZNUFWMBB-UHFFFAOYSA-N 1 3 338.477 0.737 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000984408979 746409012 /nfs/dbraw/zinc/40/90/12/746409012.db2.gz RUUCVLHCEIHEAL-GOEBONIOSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000984408979 746409016 /nfs/dbraw/zinc/40/90/16/746409016.db2.gz RUUCVLHCEIHEAL-GOEBONIOSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CCC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001027653391 746585243 /nfs/dbraw/zinc/58/52/43/746585243.db2.gz ZETYYFRWGRJQLH-CZUORRHYSA-N 1 3 345.447 0.573 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CCC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001027653391 746585248 /nfs/dbraw/zinc/58/52/48/746585248.db2.gz ZETYYFRWGRJQLH-CZUORRHYSA-N 1 3 345.447 0.573 20 0 ECADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC001001879073 746780891 /nfs/dbraw/zinc/78/08/91/746780891.db2.gz HPRRPVWGBJTNEL-HZPDHXFCSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC001001879073 746780894 /nfs/dbraw/zinc/78/08/94/746780894.db2.gz HPRRPVWGBJTNEL-HZPDHXFCSA-N 1 3 338.496 0.774 20 0 ECADHO C[N@H+](CCN1CCNC1=O)[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001027682748 746786551 /nfs/dbraw/zinc/78/65/51/746786551.db2.gz WYYSAWWXTOIBHJ-HNNXBMFYSA-N 1 3 337.468 0.030 20 0 ECADHO C[N@@H+](CCN1CCNC1=O)[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001027682748 746786554 /nfs/dbraw/zinc/78/65/54/746786554.db2.gz WYYSAWWXTOIBHJ-HNNXBMFYSA-N 1 3 337.468 0.030 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1)C1CC1 ZINC001087993718 746953734 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ZESYVEFBNXWBFZ-RBSFLKMASA-N 1 3 347.463 0.661 20 0 ECADHO COc1cncc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000985123106 747414826 /nfs/dbraw/zinc/41/48/26/747414826.db2.gz KXNDBFLGWNBMIT-MGPQQGTHSA-N 1 3 333.436 0.421 20 0 ECADHO COc1cncc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985123106 747414829 /nfs/dbraw/zinc/41/48/29/747414829.db2.gz KXNDBFLGWNBMIT-MGPQQGTHSA-N 1 3 333.436 0.421 20 0 ECADHO C[C@H](NCCCNC(=O)c1cnn(CC[NH+](C)C)c1)c1cnccn1 ZINC001168052888 747439446 /nfs/dbraw/zinc/43/94/46/747439446.db2.gz YVUYPCGPHMDFPD-AWEZNQCLSA-N 1 3 345.451 0.705 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000985154721 747478645 /nfs/dbraw/zinc/47/86/45/747478645.db2.gz NXMXOHPQZLZRHG-FRFSOERESA-N 1 3 344.459 0.735 20 0 ECADHO CC(=O)O[C@H]1C[NH2+]C[C@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001211731850 752189505 /nfs/dbraw/zinc/18/95/05/752189505.db2.gz UPNWEXJTCMPMSD-RISCZKNCSA-N 1 3 329.360 0.396 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@@H]2CCNC2=O)CC1 ZINC000985458627 748094142 /nfs/dbraw/zinc/09/41/42/748094142.db2.gz FHTDGBFOYFGAPP-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@@H]2CCNC2=O)CC1 ZINC000985458627 748094145 /nfs/dbraw/zinc/09/41/45/748094145.db2.gz FHTDGBFOYFGAPP-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001003142729 748226333 /nfs/dbraw/zinc/22/63/33/748226333.db2.gz CQGVJNHSSHQHLO-SJORKVTESA-N 1 3 346.479 0.876 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001003142729 748226342 /nfs/dbraw/zinc/22/63/42/748226342.db2.gz CQGVJNHSSHQHLO-SJORKVTESA-N 1 3 346.479 0.876 20 0 ECADHO O=C(NC1CC[NH+]([C@H]2CCCNC2=O)CC1)c1ccn2cncc2c1 ZINC001003252463 748347456 /nfs/dbraw/zinc/34/74/56/748347456.db2.gz VEBCWLIBCYLKBA-INIZCTEOSA-N 1 3 341.415 0.807 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(N(C)[C@H](C)C(N)=O)CC2)C1 ZINC000985594585 748701911 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0.759 20 0 ECADHO C[N@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646118 748784757 /nfs/dbraw/zinc/78/47/57/748784757.db2.gz HIXWWFWPAZWYQW-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646118 748784765 /nfs/dbraw/zinc/78/47/65/748784765.db2.gz HIXWWFWPAZWYQW-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC001029861576 748993852 /nfs/dbraw/zinc/99/38/52/748993852.db2.gz PUKNJFXJQKAGDF-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001088390506 749014036 /nfs/dbraw/zinc/01/40/36/749014036.db2.gz OSBOHFRXZVVQFG-CQSZACIVSA-N 1 3 331.424 0.605 20 0 ECADHO CCN1CC[C@H](N(C)C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC000985758895 749027030 /nfs/dbraw/zinc/02/70/30/749027030.db2.gz MMISPOWANYHZSQ-INIZCTEOSA-N 1 3 348.491 0.626 20 0 ECADHO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cnccc2N(C)C)CC1 ZINC001003984010 749107365 /nfs/dbraw/zinc/10/73/65/749107365.db2.gz YMUAQQIZMHLMMC-AWEZNQCLSA-N 1 3 333.436 0.606 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004140927 749250369 /nfs/dbraw/zinc/25/03/69/749250369.db2.gz AHOROKZVVWYLQS-OAHLLOKOSA-N 1 3 334.468 0.427 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004140927 749250371 /nfs/dbraw/zinc/25/03/71/749250371.db2.gz AHOROKZVVWYLQS-OAHLLOKOSA-N 1 3 334.468 0.427 20 0 ECADHO CN(Cc1ccc(C(N)=O)cc1)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980397595 749492153 /nfs/dbraw/zinc/49/21/53/749492153.db2.gz QCAGOMBEJHNBQI-IRXDYDNUSA-N 1 3 344.459 0.770 20 0 ECADHO CN(Cc1ccc(C(N)=O)cc1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980397595 749492156 /nfs/dbraw/zinc/49/21/56/749492156.db2.gz QCAGOMBEJHNBQI-IRXDYDNUSA-N 1 3 344.459 0.770 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004545456 749607921 /nfs/dbraw/zinc/60/79/21/749607921.db2.gz CNDVPQRNGKEJSS-HOCLYGCPSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004545456 749607924 /nfs/dbraw/zinc/60/79/24/749607924.db2.gz CNDVPQRNGKEJSS-HOCLYGCPSA-N 1 3 336.480 0.659 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)N(C)C2CC2)CC1 ZINC001167814933 749837578 /nfs/dbraw/zinc/83/75/78/749837578.db2.gz JSPSOHLGAWKBDW-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC001167814659 749845672 /nfs/dbraw/zinc/84/56/72/749845672.db2.gz AUMYJWKPAFOBBM-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)OC3(CC[NH+](CCO)CC3)C2)C1 ZINC001098635468 750013321 /nfs/dbraw/zinc/01/33/21/750013321.db2.gz KLUKZRGGKGUJRZ-HZPDHXFCSA-N 1 3 339.480 0.402 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980802023 750185068 /nfs/dbraw/zinc/18/50/68/750185068.db2.gz XHPNXKIFGSHMES-LSDHHAIUSA-N 1 3 334.468 0.720 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CCN(CCn2cncn2)CC1 ZINC001005660752 750501096 /nfs/dbraw/zinc/50/10/96/750501096.db2.gz LNKLIJFTLAQSLD-UHFFFAOYSA-N 1 3 346.479 0.829 20 0 ECADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CCCO)CC1 ZINC001005742303 750580715 /nfs/dbraw/zinc/58/07/15/750580715.db2.gz QEAJBMDFEPFIBI-HQVVEAJESA-N 1 3 337.464 0.155 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005994227 750900155 /nfs/dbraw/zinc/90/01/55/750900155.db2.gz BPYCVXIPZAXELE-ZBFHGGJFSA-N 1 3 334.468 0.399 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005994227 750900158 /nfs/dbraw/zinc/90/01/58/750900158.db2.gz BPYCVXIPZAXELE-ZBFHGGJFSA-N 1 3 334.468 0.399 20 0 ECADHO Cn1cc(CC[N@H+]2CCCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)cn1 ZINC000981666263 750933826 /nfs/dbraw/zinc/93/38/26/750933826.db2.gz NSIFLIGOCVMEKU-KRWDZBQOSA-N 1 3 345.491 0.981 20 0 ECADHO Cn1cc(CC[N@@H+]2CCCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)cn1 ZINC000981666263 750933829 /nfs/dbraw/zinc/93/38/29/750933829.db2.gz NSIFLIGOCVMEKU-KRWDZBQOSA-N 1 3 345.491 0.981 20 0 ECADHO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)CN1CCCC1 ZINC000987520982 750939042 /nfs/dbraw/zinc/93/90/42/750939042.db2.gz VPCCCMCUWDUVLW-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987567673 750970007 /nfs/dbraw/zinc/97/00/07/750970007.db2.gz GAWDJUJEFHBEKI-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1noc(CCCN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001028315140 752360623 /nfs/dbraw/zinc/36/06/23/752360623.db2.gz HOCQLYIBKOUWLG-CABCVRRESA-N 1 3 335.452 0.843 20 0 ECADHO Cc1noc(CCCN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001028315140 752360631 /nfs/dbraw/zinc/36/06/31/752360631.db2.gz HOCQLYIBKOUWLG-CABCVRRESA-N 1 3 335.452 0.843 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCCN2CCCC2=O)C1 ZINC001028317361 752367016 /nfs/dbraw/zinc/36/70/16/752367016.db2.gz AHOCDIGBKAPNAE-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCCN2CCCC2=O)C1 ZINC001028317361 752367023 /nfs/dbraw/zinc/36/70/23/752367023.db2.gz AHOCDIGBKAPNAE-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001021093336 752534074 /nfs/dbraw/zinc/53/40/74/752534074.db2.gz AJPRZQSCRPMVTL-SHTZXODSSA-N 1 3 342.447 0.927 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)CN(C)C1CCC1 ZINC000988964653 753087038 /nfs/dbraw/zinc/08/70/38/753087038.db2.gz DETGBBNKKFFVFZ-KGLIPLIRSA-N 1 3 337.468 0.075 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000925297190 753100516 /nfs/dbraw/zinc/10/05/16/753100516.db2.gz UGYUDNAIMHJYAT-HZPDHXFCSA-N 1 3 330.432 0.991 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000925297190 753100519 /nfs/dbraw/zinc/10/05/19/753100519.db2.gz UGYUDNAIMHJYAT-HZPDHXFCSA-N 1 3 330.432 0.991 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001008395878 753694971 /nfs/dbraw/zinc/69/49/71/753694971.db2.gz QZQFCMKCXFAFQH-UKRRQHHQSA-N 1 3 347.463 0.566 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754710237 /nfs/dbraw/zinc/71/02/37/754710237.db2.gz PWVFCRKCOLTQFZ-HCEZTOJASA-N 1 3 325.428 0.647 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](CCCF)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028698698 754710242 /nfs/dbraw/zinc/71/02/42/754710242.db2.gz PWVFCRKCOLTQFZ-HCEZTOJASA-N 1 3 325.428 0.647 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCCC2)CC1 ZINC000990243695 754892656 /nfs/dbraw/zinc/89/26/56/754892656.db2.gz JGNJGOZVNLMMFI-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[C@@H]1N(C(=O)CC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001105660817 755279072 /nfs/dbraw/zinc/27/90/72/755279072.db2.gz YXJMMGJYMSAVBZ-JHNDHUHGSA-N 1 3 329.460 0.874 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CCCF ZINC001088757105 755548107 /nfs/dbraw/zinc/54/81/07/755548107.db2.gz IRICJLMTQLPBAS-GQGDVANPSA-N 1 3 325.428 0.788 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CCCF ZINC001088757105 755548111 /nfs/dbraw/zinc/54/81/11/755548111.db2.gz IRICJLMTQLPBAS-GQGDVANPSA-N 1 3 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CC(C)(C(=O)N1C[C@@H](N[C@H]2CCNC2=O)C(C)(C)C1)[NH+]1CCCC1 ZINC000996139350 757019054 /nfs/dbraw/zinc/01/90/54/757019054.db2.gz XWRZEPWMVRQCAE-UONOGXRCSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)Cc1ccsc1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001048845326 757161369 /nfs/dbraw/zinc/16/13/69/757161369.db2.gz FMZQAWZQVJIMIY-BETUJISGSA-N 1 3 336.461 0.299 20 0 ECADHO CN(C)Cc1ccsc1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048845326 757161374 /nfs/dbraw/zinc/16/13/74/757161374.db2.gz FMZQAWZQVJIMIY-BETUJISGSA-N 1 3 336.461 0.299 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]3C2)C1=O ZINC001048864532 757222131 /nfs/dbraw/zinc/22/21/31/757222131.db2.gz IVLAMKNLUGZGBL-UXLLHSPISA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]3C2)C1=O ZINC001048864532 757222134 /nfs/dbraw/zinc/22/21/34/757222134.db2.gz IVLAMKNLUGZGBL-UXLLHSPISA-N 1 3 348.491 0.482 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]([NH2+]CCn3cncn3)C(C)(C)C2)C1 ZINC000996309744 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CCC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001050539985 760457281 /nfs/dbraw/zinc/45/72/81/760457281.db2.gz XOBYTKCVJHRMFN-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001048416455 760481575 /nfs/dbraw/zinc/48/15/75/760481575.db2.gz FIQMMYWCCHCEFU-HOTGVXAUSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCN(C)C2=O)CC3)C1 ZINC001050661842 760637207 /nfs/dbraw/zinc/63/72/07/760637207.db2.gz DISLCKMUVQSBNC-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCN(C)C2=O)CC3)C1 ZINC001050661842 760637209 /nfs/dbraw/zinc/63/72/09/760637209.db2.gz DISLCKMUVQSBNC-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN(CC(=O)N(C)C)CC2 ZINC001050663392 760639668 /nfs/dbraw/zinc/63/96/68/760639668.db2.gz SOTQBNVGBIVARN-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(CC(=O)N(C)C)CC2 ZINC001050663392 760639670 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Cn1nnnc1CNC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001048624491 760808362 /nfs/dbraw/zinc/80/83/62/760808362.db2.gz UXEVMFKAAMQOPX-RBSFLKMASA-N 1 3 349.483 0.174 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCC2)C(C)(C)C1)N(C)C ZINC000995948480 760835084 /nfs/dbraw/zinc/83/50/84/760835084.db2.gz LELQENMCNXJOGO-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001017461488 768008292 /nfs/dbraw/zinc/00/82/92/768008292.db2.gz JOEMRMBJZVNMCH-JKSUJKDBSA-N 1 3 336.480 0.553 20 0 ECADHO CC[C@H](C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001017461488 768008300 /nfs/dbraw/zinc/00/83/00/768008300.db2.gz JOEMRMBJZVNMCH-JKSUJKDBSA-N 1 3 336.480 0.553 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000991486837 761183734 /nfs/dbraw/zinc/18/37/34/761183734.db2.gz QWJRGTSJJQKXEY-IAGOWNOFSA-N 1 3 348.491 0.528 20 0 ECADHO CN(C)[C@H](C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC001017464168 768012542 /nfs/dbraw/zinc/01/25/42/768012542.db2.gz DMIXYZZYPVGECJ-IRXDYDNUSA-N 1 3 348.491 0.553 20 0 ECADHO CN(C)[C@H](C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC001017464168 768012550 /nfs/dbraw/zinc/01/25/50/768012550.db2.gz DMIXYZZYPVGECJ-IRXDYDNUSA-N 1 3 348.491 0.553 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000991493776 761203456 /nfs/dbraw/zinc/20/34/56/761203456.db2.gz RAYOZTCILRNRIA-FVQBIDKESA-N 1 3 336.480 0.526 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000991493776 761203460 /nfs/dbraw/zinc/20/34/60/761203460.db2.gz RAYOZTCILRNRIA-FVQBIDKESA-N 1 3 336.480 0.526 20 0 ECADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106254952 768020626 /nfs/dbraw/zinc/02/06/26/768020626.db2.gz CIBYMODNGRFLEW-IIAWOOMASA-N 1 3 327.469 0.162 20 0 ECADHO Cn1nccc1CCN1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014461108 762716516 /nfs/dbraw/zinc/71/65/16/762716516.db2.gz 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CN(CC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001046892044 763317660 /nfs/dbraw/zinc/31/76/60/763317660.db2.gz KUOGUVJQJAAGIA-YJBOKZPZSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1ccncc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051930620 763363365 /nfs/dbraw/zinc/36/33/65/763363365.db2.gz PJBYAVQUJQZOQR-WBVHZDCISA-N 1 3 332.448 0.659 20 0 ECADHO Cc1ccncc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051930620 763363374 /nfs/dbraw/zinc/36/33/74/763363374.db2.gz PJBYAVQUJQZOQR-WBVHZDCISA-N 1 3 332.448 0.659 20 0 ECADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C)C(N)=O ZINC001106336389 768159622 /nfs/dbraw/zinc/15/96/22/768159622.db2.gz LOWINMZNFFLEAU-MGPQQGTHSA-N 1 3 326.485 0.665 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000995148422 763748791 /nfs/dbraw/zinc/74/87/91/763748791.db2.gz QMVVHFJNNJXRAH-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000995148422 763748795 /nfs/dbraw/zinc/74/87/95/763748795.db2.gz QMVVHFJNNJXRAH-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC001106340353 768164727 /nfs/dbraw/zinc/16/47/27/768164727.db2.gz TYRUNDARGDTCRE-HUUCEWRRSA-N 1 3 340.512 0.925 20 0 ECADHO Cn1ccnc1CNC[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169886 763857890 /nfs/dbraw/zinc/85/78/90/763857890.db2.gz VROUMAOTFOFBBL-HUUCEWRRSA-N 1 3 331.464 0.890 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000991885233 764311751 /nfs/dbraw/zinc/31/17/51/764311751.db2.gz SRLHTCMDUIIHRH-HZPDHXFCSA-N 1 3 336.480 0.241 20 0 ECADHO CCCNCc1cn([C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001098766647 764516211 /nfs/dbraw/zinc/51/62/11/764516211.db2.gz DUUVMNGTNDWSLV-OAHLLOKOSA-N 1 3 338.456 0.129 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccn(C)c(=O)c1 ZINC001088981032 764685557 /nfs/dbraw/zinc/68/55/57/764685557.db2.gz ZOYGRLZJGKMYFO-VYDXJSESSA-N 1 3 346.475 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ZINC000992008168 765144360 /nfs/dbraw/zinc/14/43/60/765144360.db2.gz HOHOKEJZNPOEOA-IRXDYDNUSA-N 1 3 348.491 0.815 20 0 ECADHO CO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C[C@H](C)O)CC1 ZINC001052986396 765462184 /nfs/dbraw/zinc/46/21/84/765462184.db2.gz LWVKLAFHKOXCDK-NXNVCVFFSA-N 1 3 339.480 0.542 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001053290762 765918279 /nfs/dbraw/zinc/91/82/79/765918279.db2.gz VZIKNYFRDBNLMJ-DZGCQCFKSA-N 1 3 349.479 0.813 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089589025 766354650 /nfs/dbraw/zinc/35/46/50/766354650.db2.gz DGPRKCHXYIFQEG-YOEHRIQHSA-N 1 3 346.479 0.893 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089589025 766354662 /nfs/dbraw/zinc/35/46/62/766354662.db2.gz DGPRKCHXYIFQEG-YOEHRIQHSA-N 1 3 346.479 0.893 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](CC3CC3)C2)CC1)C1CC1 ZINC001046034987 766718200 /nfs/dbraw/zinc/71/82/00/766718200.db2.gz 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C[C@H]1CCCN1CC(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046064364 766843228 /nfs/dbraw/zinc/84/32/28/766843228.db2.gz LSHZIINGHGCLIJ-IRXDYDNUSA-N 1 3 338.496 0.072 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046064364 766843238 /nfs/dbraw/zinc/84/32/38/766843238.db2.gz LSHZIINGHGCLIJ-IRXDYDNUSA-N 1 3 338.496 0.072 20 0 ECADHO CC[C@@H](C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1)OC ZINC001046066911 766856430 /nfs/dbraw/zinc/85/64/30/766856430.db2.gz RVAAGVDHFDKQTK-IRXDYDNUSA-N 1 3 349.479 0.596 20 0 ECADHO CC[C@@H](C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1)OC ZINC001046066911 766856440 /nfs/dbraw/zinc/85/64/40/766856440.db2.gz RVAAGVDHFDKQTK-IRXDYDNUSA-N 1 3 349.479 0.596 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001016763960 766868240 /nfs/dbraw/zinc/86/82/40/766868240.db2.gz FJNQTSBFUJRAMI-NFOMZHRRSA-N 1 3 347.463 0.708 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016763960 766868251 /nfs/dbraw/zinc/86/82/51/766868251.db2.gz FJNQTSBFUJRAMI-NFOMZHRRSA-N 1 3 347.463 0.708 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001016768686 766887442 /nfs/dbraw/zinc/88/74/42/766887442.db2.gz KEMLXOIMDGAFGZ-FHERZECASA-N 1 3 348.491 0.672 20 0 ECADHO COC[C@@H](C)N1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031730849 766914815 /nfs/dbraw/zinc/91/48/15/766914815.db2.gz ZWXUQNYXCODHCC-PBHICJAKSA-N 1 3 339.480 0.713 20 0 ECADHO COC[C@@H](C)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031730849 766914817 /nfs/dbraw/zinc/91/48/17/766914817.db2.gz ZWXUQNYXCODHCC-PBHICJAKSA-N 1 3 339.480 0.713 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016798797 766949080 /nfs/dbraw/zinc/94/90/80/766949080.db2.gz DLABIGIKRXDSDH-LSDHHAIUSA-N 1 3 336.480 0.563 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1)N(C)C ZINC000994847648 766980178 /nfs/dbraw/zinc/98/01/78/766980178.db2.gz OONYPZGHQYRMBM-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1 ZINC001106910918 767154056 /nfs/dbraw/zinc/15/40/56/767154056.db2.gz VLSQZGYNIWYVDV-HZPDHXFCSA-N 1 3 340.512 0.785 20 0 ECADHO CN1CC[C@H](N2CCC3(C[C@@H]3NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001016937599 767354513 /nfs/dbraw/zinc/35/45/13/767354513.db2.gz ZKUSECILVAQGPB-GJZGRUSLSA-N 1 3 346.475 0.284 20 0 ECADHO Cn1cc(CN2CCC3(C[C@@H]3NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001016970014 767413870 /nfs/dbraw/zinc/41/38/70/767413870.db2.gz QRZZMNIFMVGHFY-CVEARBPZSA-N 1 3 331.464 0.843 20 0 ECADHO Cn1cc(CN2CCC3(C[C@@H]3NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001016970014 767413875 /nfs/dbraw/zinc/41/38/75/767413875.db2.gz QRZZMNIFMVGHFY-CVEARBPZSA-N 1 3 331.464 0.843 20 0 ECADHO O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356415 768458763 /nfs/dbraw/zinc/45/87/63/768458763.db2.gz BIRHTBOQQQQRQY-ZBFHGGJFSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356415 768458767 /nfs/dbraw/zinc/45/87/67/768458767.db2.gz BIRHTBOQQQQRQY-ZBFHGGJFSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106665776 768578598 /nfs/dbraw/zinc/57/85/98/768578598.db2.gz BETRBSKNYRTRFR-RRFJBIMHSA-N 1 3 345.509 0.057 20 0 ECADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668834 768583113 /nfs/dbraw/zinc/58/31/13/768583113.db2.gz QIJWYOHUNLXWAF-QLFBSQMISA-N 1 3 338.496 0.537 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779632 768935503 /nfs/dbraw/zinc/93/55/03/768935503.db2.gz UDEBEZHPYLGSPY-HUUCEWRRSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1 ZINC001106778289 768940565 /nfs/dbraw/zinc/94/05/65/768940565.db2.gz CNJGJXQZJMLGQP-NVXWUHKLSA-N 1 3 348.491 0.911 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCCC2)C1 ZINC001018635705 769689768 /nfs/dbraw/zinc/68/97/68/769689768.db2.gz RGYBFQZVDSRLOF-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CC[C@H](N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1=O ZINC001018849646 770090131 /nfs/dbraw/zinc/09/01/31/770090131.db2.gz GNFSRSLWSBGRCB-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCn1cccn1 ZINC000994250814 770433527 /nfs/dbraw/zinc/43/35/27/770433527.db2.gz JGCFWWBEWIHXHW-CVEARBPZSA-N 1 3 331.464 0.948 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)C1 ZINC001019038223 770626760 /nfs/dbraw/zinc/62/67/60/770626760.db2.gz LXYIMUDYEVZOLL-JKSUJKDBSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)C1 ZINC001019038223 770626765 /nfs/dbraw/zinc/62/67/65/770626765.db2.gz LXYIMUDYEVZOLL-JKSUJKDBSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001019038699 770629220 /nfs/dbraw/zinc/62/92/20/770629220.db2.gz YSCUJXRHKLYJOW-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001019038699 770629222 /nfs/dbraw/zinc/62/92/22/770629222.db2.gz YSCUJXRHKLYJOW-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019068959 770709288 /nfs/dbraw/zinc/70/92/88/770709288.db2.gz VTYALHDXRQDIPK-ZFWWWQNUSA-N 1 3 336.480 0.718 20 0 ECADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019068959 770709297 /nfs/dbraw/zinc/70/92/97/770709297.db2.gz VTYALHDXRQDIPK-ZFWWWQNUSA-N 1 3 336.480 0.718 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001078411259 782894664 /nfs/dbraw/zinc/89/46/64/782894664.db2.gz IYMCTAFLYWYPQF-DLBZAZTESA-N 1 3 349.479 0.467 20 0 ECADHO CN(CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H]2CCOC2)C1)C1CCC1 ZINC001078411408 782895785 /nfs/dbraw/zinc/89/57/85/782895785.db2.gz LZIXZIZTQBKUOM-WBVHZDCISA-N 1 3 339.480 0.714 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001019381148 771228287 /nfs/dbraw/zinc/22/82/87/771228287.db2.gz ZMUCQMRDAXKPCR-YOEHRIQHSA-N 1 3 344.459 0.960 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001019383203 771231029 /nfs/dbraw/zinc/23/10/29/771231029.db2.gz ZIEABSYPWIIEAQ-HOCLYGCPSA-N 1 3 332.448 0.418 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)C1 ZINC001019386455 771236780 /nfs/dbraw/zinc/23/67/80/771236780.db2.gz PGAFBIADMGPJLG-GJZGRUSLSA-N 1 3 346.479 0.688 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1)N(C)C ZINC001019394422 771245979 /nfs/dbraw/zinc/24/59/79/771245979.db2.gz GFIKPDYEELBVMT-KKUMJFAQSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC1CCCC1 ZINC001127466647 771285120 /nfs/dbraw/zinc/28/51/20/771285120.db2.gz XRLSSGLFJGADRX-CJNGLKHVSA-N 1 3 336.480 0.481 20 0 ECADHO C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056548426 771372710 /nfs/dbraw/zinc/37/27/10/771372710.db2.gz NEDJZQXOYMSOOS-GJZGRUSLSA-N 1 3 333.436 0.496 20 0 ECADHO CN(C)C(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089557969 771486149 /nfs/dbraw/zinc/48/61/49/771486149.db2.gz DUFMIYJUJGWTHU-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)C(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089557969 771486153 /nfs/dbraw/zinc/48/61/53/771486153.db2.gz DUFMIYJUJGWTHU-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO CN1CC[C@H](N[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC001019632622 771634626 /nfs/dbraw/zinc/63/46/26/771634626.db2.gz SQEOUCJTECVBEV-IRXDYDNUSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001078468891 783008281 /nfs/dbraw/zinc/00/82/81/783008281.db2.gz QTFJLZASKUEKGQ-CVEARBPZSA-N 1 3 337.468 0.467 20 0 ECADHO Cc1nc2c([nH]1)C[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]3CCN(C)C3=O)C1)CC2 ZINC001020316589 772437979 /nfs/dbraw/zinc/43/79/79/772437979.db2.gz PHTIYUCASXFNEX-BHPKHCPMSA-N 1 3 345.447 0.291 20 0 ECADHO Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]3CCN(C)C3=O)C1)C2 ZINC001020316589 772437984 /nfs/dbraw/zinc/43/79/84/772437984.db2.gz PHTIYUCASXFNEX-BHPKHCPMSA-N 1 3 345.447 0.291 20 0 ECADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001078473011 783018495 /nfs/dbraw/zinc/01/84/95/783018495.db2.gz NHEDJKKWWOBZCJ-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001078473011 783018501 /nfs/dbraw/zinc/01/85/01/783018501.db2.gz NHEDJKKWWOBZCJ-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750067 774576194 /nfs/dbraw/zinc/57/61/94/774576194.db2.gz MNBCXBQVUQCSLV-ZFWWWQNUSA-N 1 3 343.431 0.820 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)n1 ZINC001044857612 774680884 /nfs/dbraw/zinc/68/08/84/774680884.db2.gz LSHWMNWNUXMZNZ-YOEHRIQHSA-N 1 3 348.495 0.960 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)CN1CCCC1 ZINC001044857231 774681103 /nfs/dbraw/zinc/68/11/03/774681103.db2.gz GPPBVBVMDOOXMK-RDJZCZTQSA-N 1 3 346.475 0.950 20 0 ECADHO CC1(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC[NH+](CCCO)CC1 ZINC001045444765 775618393 /nfs/dbraw/zinc/61/83/93/775618393.db2.gz WICWSYRKSMTWAB-GJZGRUSLSA-N 1 3 325.453 0.203 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN(C)C1CCC1 ZINC001044628027 776539831 /nfs/dbraw/zinc/53/98/31/776539831.db2.gz FDKHMAIYOPGHRY-ZIAGYGMSSA-N 1 3 334.468 0.769 20 0 ECADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079707493 776736489 /nfs/dbraw/zinc/73/64/89/776736489.db2.gz HKDXINMEVSTZOU-DJIMGWMZSA-N 1 3 331.464 0.661 20 0 ECADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079707518 776736967 /nfs/dbraw/zinc/73/69/67/776736967.db2.gz IKZDCNMHOUIDPT-ZTFGCOKTSA-N 1 3 345.491 0.741 20 0 ECADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079723867 776765338 /nfs/dbraw/zinc/76/53/38/776765338.db2.gz OCYYRJJYBBDAKY-MUIFIZLQSA-N 1 3 333.480 0.739 20 0 ECADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079723867 776765342 /nfs/dbraw/zinc/76/53/42/776765342.db2.gz OCYYRJJYBBDAKY-MUIFIZLQSA-N 1 3 333.480 0.739 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001079930412 777104922 /nfs/dbraw/zinc/10/49/22/777104922.db2.gz NSPMRTOQGARTMO-UHFFFAOYSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079931458 777107582 /nfs/dbraw/zinc/10/75/82/777107582.db2.gz VXVWQHGSNWIKRR-GDBMZVCRSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079931458 777107586 /nfs/dbraw/zinc/10/75/86/777107586.db2.gz VXVWQHGSNWIKRR-GDBMZVCRSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001080557959 778025525 /nfs/dbraw/zinc/02/55/25/778025525.db2.gz IWEKUVUBTCHDPZ-ZBFHGGJFSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001080557959 778025537 /nfs/dbraw/zinc/02/55/37/778025537.db2.gz IWEKUVUBTCHDPZ-ZBFHGGJFSA-N 1 3 338.496 0.585 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001078498506 780020522 /nfs/dbraw/zinc/02/05/22/780020522.db2.gz NMZPDTQYFFKLGH-MRXNPFEDSA-N 1 3 347.463 0.223 20 0 ECADHO CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1NCc1cnn(C)n1 ZINC001037924959 783705853 /nfs/dbraw/zinc/70/58/53/783705853.db2.gz MNALYJHGXXOLPN-YOEHRIQHSA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1NCc1cn(C)nn1 ZINC001037970328 783744479 /nfs/dbraw/zinc/74/44/79/783744479.db2.gz ZZTUTJBEGAPDJK-GOEBONIOSA-N 1 3 346.479 0.628 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001071014918 784418111 /nfs/dbraw/zinc/41/81/11/784418111.db2.gz KFBBSGYXXSXEMB-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CN1CCCO ZINC001071515974 785234226 /nfs/dbraw/zinc/23/42/26/785234226.db2.gz YPSCLBTYSRDOPB-LSDHHAIUSA-N 1 3 337.468 0.410 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001073672267 786931557 /nfs/dbraw/zinc/93/15/57/786931557.db2.gz KDBUKCULSBXOTH-IAGOWNOFSA-N 1 3 341.496 0.696 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001073672267 786931564 /nfs/dbraw/zinc/93/15/64/786931564.db2.gz KDBUKCULSBXOTH-IAGOWNOFSA-N 1 3 341.496 0.696 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073672452 786933607 /nfs/dbraw/zinc/93/36/07/786933607.db2.gz LVTJVVVNFKRLIH-JKSUJKDBSA-N 1 3 327.469 0.306 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073672452 786933611 /nfs/dbraw/zinc/93/36/11/786933611.db2.gz LVTJVVVNFKRLIH-JKSUJKDBSA-N 1 3 327.469 0.306 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCOC3CCC3)CCCO2)C1 ZINC001073890442 787448215 /nfs/dbraw/zinc/44/82/15/787448215.db2.gz CVNLLXKJGMERKS-WBVHZDCISA-N 1 3 339.480 0.714 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCOC3CCC3)CCCO2)C1 ZINC001073890442 787448220 /nfs/dbraw/zinc/44/82/20/787448220.db2.gz CVNLLXKJGMERKS-WBVHZDCISA-N 1 3 339.480 0.714 20 0 ECADHO Cn1nccc1CCN1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073892204 787454447 /nfs/dbraw/zinc/45/44/47/787454447.db2.gz YFOOPLTWHPAKRC-RDJZCZTQSA-N 1 3 349.479 0.121 20 0 ECADHO Cn1nccc1CCN1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073892204 787454453 /nfs/dbraw/zinc/45/44/53/787454453.db2.gz YFOOPLTWHPAKRC-RDJZCZTQSA-N 1 3 349.479 0.121 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001074192650 788020381 /nfs/dbraw/zinc/02/03/81/788020381.db2.gz FHFHOBMYCJBLDT-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074803717 788357170 /nfs/dbraw/zinc/35/71/70/788357170.db2.gz LQYWMOXXOKYNBP-QMCVQRASSA-N 1 3 348.491 0.813 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001072621636 788450717 /nfs/dbraw/zinc/45/07/17/788450717.db2.gz DGZXDSABDBZFBK-CABCVRRESA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)[C@@H]1C)N(C)C ZINC001074885835 788488240 /nfs/dbraw/zinc/48/82/40/788488240.db2.gz ZLUYWXNFCKEZPU-XGUBFFRZSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@H+](CCc2cnn(C)c2)C3)CCC1 ZINC001072811678 788858722 /nfs/dbraw/zinc/85/87/22/788858722.db2.gz BBYQLNRTLALBPQ-UHFFFAOYSA-N 1 3 345.491 0.981 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@@H+](CCc2cnn(C)c2)C3)CCC1 ZINC001072811678 788858732 /nfs/dbraw/zinc/85/87/32/788858732.db2.gz BBYQLNRTLALBPQ-UHFFFAOYSA-N 1 3 345.491 0.981 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001075155881 788994799 /nfs/dbraw/zinc/99/47/99/788994799.db2.gz OFKGAHRQCJZJCK-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CN(CCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1CCCN1C ZINC001067009417 792567138 /nfs/dbraw/zinc/56/71/38/792567138.db2.gz RTLLLOPHKMDDLT-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)CN(C)C1CCC1 ZINC001408631699 837582754 /nfs/dbraw/zinc/58/27/54/837582754.db2.gz DWGPMRJEVSYPGR-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)C1(C(=O)N(C)CCNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001408632085 837585408 /nfs/dbraw/zinc/58/54/08/837585408.db2.gz RWQRKOCARYYSSD-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001266825997 836351893 /nfs/dbraw/zinc/35/18/93/836351893.db2.gz MTJDZICQASXCJQ-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001408568686 836852781 /nfs/dbraw/zinc/85/27/81/836852781.db2.gz HIPWRWYVZMNDOW-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001408755121 838273183 /nfs/dbraw/zinc/27/31/83/838273183.db2.gz VPSATVITQUBAHX-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001408755121 838273188 /nfs/dbraw/zinc/27/31/88/838273188.db2.gz VPSATVITQUBAHX-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)CN(C)C(C)C ZINC001408770797 838380583 /nfs/dbraw/zinc/38/05/83/838380583.db2.gz OVPGCERTZLFCSE-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CN(C)C(C)C ZINC001408770797 838380588 /nfs/dbraw/zinc/38/05/88/838380588.db2.gz OVPGCERTZLFCSE-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)CN(C)C1CCC1 ZINC001408799987 838459587 /nfs/dbraw/zinc/45/95/87/838459587.db2.gz IULGTCDHNXPTPT-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)CN(C)C1CCC1 ZINC001408799987 838459590 /nfs/dbraw/zinc/45/95/90/838459590.db2.gz IULGTCDHNXPTPT-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)NC(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001267960219 838871151 /nfs/dbraw/zinc/87/11/51/838871151.db2.gz BMPCZRCONBHSEF-HUUCEWRRSA-N 1 3 339.484 0.369 20 0 ECADHO CN(C)CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000448601491 282100823 /nfs/dbraw/zinc/10/08/23/282100823.db2.gz UKKHUNZSINFXEY-QGZVFWFLSA-N 1 3 338.496 0.336 20 0 ECADHO CN(C)CCN1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000448601491 282100824 /nfs/dbraw/zinc/10/08/24/282100824.db2.gz UKKHUNZSINFXEY-QGZVFWFLSA-N 1 3 338.496 0.336 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000354694001 299097803 /nfs/dbraw/zinc/09/78/03/299097803.db2.gz PSRBTEOGBZHFOM-MRXNPFEDSA-N 1 3 348.447 0.824 20 0 ECADHO CCCN(C(=O)NC[C@H](C)CN1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000417741266 283005511 /nfs/dbraw/zinc/00/55/11/283005511.db2.gz AAVYEGOJPLRYCH-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO COC(=O)c1ccccc1OCCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420292685 209348822 /nfs/dbraw/zinc/34/88/22/209348822.db2.gz LUYMNCTUPXIYCK-CQSZACIVSA-N 1 3 349.431 0.639 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420207607 209342399 /nfs/dbraw/zinc/34/23/99/209342399.db2.gz QICXRYXMPDVGJH-LSDHHAIUSA-N 1 3 326.485 0.810 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420101981 209306259 /nfs/dbraw/zinc/30/62/59/209306259.db2.gz MLHDFZVJLFBVFC-QGZVFWFLSA-N 1 3 326.485 0.539 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420088171 209301732 /nfs/dbraw/zinc/30/17/32/209301732.db2.gz HKJKIXSGHNMAHD-UHFFFAOYSA-N 1 3 332.448 0.705 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419995261 209272368 /nfs/dbraw/zinc/27/23/68/209272368.db2.gz IDQRPGXEIDBKRI-LLVKDONJSA-N 1 3 342.390 0.318 20 0 ECADHO C[C@H]1[C@@H](NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCCN1C ZINC000415952220 291286334 /nfs/dbraw/zinc/28/63/34/291286334.db2.gz KJKUJKUAOALIFN-JSGCOSHPSA-N 1 3 333.440 0.490 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000419985777 209269843 /nfs/dbraw/zinc/26/98/43/209269843.db2.gz BCKRIDCEZDNDQR-LBPRGKRZSA-N 1 3 326.466 0.492 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000419964159 209262801 /nfs/dbraw/zinc/26/28/01/209262801.db2.gz IKMGNRJVDAEOSH-INIZCTEOSA-N 1 3 338.496 0.999 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419961694 209261897 /nfs/dbraw/zinc/26/18/97/209261897.db2.gz SVPRDAYBKLMWPX-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419913792 209248369 /nfs/dbraw/zinc/24/83/69/209248369.db2.gz BFUOIZDUXHNCEA-BRWVUGGUSA-N 1 3 344.459 0.745 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419913792 209248373 /nfs/dbraw/zinc/24/83/73/209248373.db2.gz BFUOIZDUXHNCEA-BRWVUGGUSA-N 1 3 344.459 0.745 20 0 ECADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419915835 209247725 /nfs/dbraw/zinc/24/77/25/209247725.db2.gz PVSLWLRENQYLPX-HOTGVXAUSA-N 1 3 336.480 0.579 20 0 ECADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419907253 209245447 /nfs/dbraw/zinc/24/54/47/209245447.db2.gz BNLJHJOHWVYVFI-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419902580 209244921 /nfs/dbraw/zinc/24/49/21/209244921.db2.gz WANMIUYASZPSOD-WBVHZDCISA-N 1 3 346.475 0.834 20 0 ECADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419839599 209220686 /nfs/dbraw/zinc/22/06/86/209220686.db2.gz QKOHAUJBDZQPHK-UHFFFAOYSA-N 1 3 332.448 0.432 20 0 ECADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419839599 209220690 /nfs/dbraw/zinc/22/06/90/209220690.db2.gz QKOHAUJBDZQPHK-UHFFFAOYSA-N 1 3 332.448 0.432 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419785020 209204020 /nfs/dbraw/zinc/20/40/20/209204020.db2.gz XVJRAGYYRLJWHB-RRFJBIMHSA-N 1 3 338.496 0.951 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000419781461 209202870 /nfs/dbraw/zinc/20/28/70/209202870.db2.gz SDMQGCFZKLNVLH-MRXNPFEDSA-N 1 3 336.480 0.611 20 0 ECADHO O=C([C@H]1CCCN1C1CCOCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262115888 296110009 /nfs/dbraw/zinc/11/00/09/296110009.db2.gz VDHYEPWSQWWCDW-IAGOWNOFSA-N 1 3 336.480 0.136 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)NC[C@H]2C)CC1=O ZINC000356370721 299382204 /nfs/dbraw/zinc/38/22/04/299382204.db2.gz OIDCKUBWULMWRX-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)NC[C@H]2C)CC1=O ZINC000356370721 299382207 /nfs/dbraw/zinc/38/22/07/299382207.db2.gz OIDCKUBWULMWRX-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000262825514 245197247 /nfs/dbraw/zinc/19/72/47/245197247.db2.gz HHAMZVLNTXKYBS-SFHVURJKSA-N 1 3 348.491 0.626 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000262901474 245241511 /nfs/dbraw/zinc/24/15/11/245241511.db2.gz PQXNHOKBIPPURP-QGZVFWFLSA-N 1 3 335.448 0.623 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419700297 209177716 /nfs/dbraw/zinc/17/77/16/209177716.db2.gz SGDZKCLHQUZGPR-ARFHVFGLSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419667441 209164895 /nfs/dbraw/zinc/16/48/95/209164895.db2.gz AKLNPFWRFAAVPE-OWCLPIDISA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH3+])CCN1Cc1ccccc1 ZINC000419656107 209160172 /nfs/dbraw/zinc/16/01/72/209160172.db2.gz IAYARPNDXPYIKD-HOCLYGCPSA-N 1 3 332.448 0.621 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419642337 209155229 /nfs/dbraw/zinc/15/52/29/209155229.db2.gz FUZJENQHSYTSHC-KGLIPLIRSA-N 1 3 334.464 0.943 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCCC[NH2+]C2CC2)c1 ZINC000419642642 209154528 /nfs/dbraw/zinc/15/45/28/209154528.db2.gz MMHLCOZELHGADG-UHFFFAOYSA-N 1 3 332.448 0.623 20 0 ECADHO CC(C)N(C)CC(=O)NCC(C)(C)CNC(=O)C[N@H+](C)C(C)C ZINC000110868590 220072920 /nfs/dbraw/zinc/07/29/20/220072920.db2.gz NJOFTWFOXKFOPR-UHFFFAOYSA-N 1 3 328.501 0.925 20 0 ECADHO CC(C)N(C)CC(=O)NCC(C)(C)CNC(=O)C[N@@H+](C)C(C)C ZINC000110868590 220072923 /nfs/dbraw/zinc/07/29/23/220072923.db2.gz NJOFTWFOXKFOPR-UHFFFAOYSA-N 1 3 328.501 0.925 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000419591505 209134844 /nfs/dbraw/zinc/13/48/44/209134844.db2.gz RFWLAQOKCNVTLI-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000419541038 209120474 /nfs/dbraw/zinc/12/04/74/209120474.db2.gz BSYSZDOWSIFEKV-OCCSQVGLSA-N 1 3 338.477 0.583 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000420000459 209273616 /nfs/dbraw/zinc/27/36/16/209273616.db2.gz TYKOUWMPEFAJDB-GFCCVEGCSA-N 1 3 326.466 0.492 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418938018 284700286 /nfs/dbraw/zinc/70/02/86/284700286.db2.gz LQAKUMSVRMLNSQ-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CCO[C@H]1C[C@](N)(C(=O)NC2CC[NH+](CCOC)CC2)C1(C)C ZINC000444170340 211054072 /nfs/dbraw/zinc/05/40/72/211054072.db2.gz MZKDCAHMSBSLMA-YOEHRIQHSA-N 1 3 327.469 0.746 20 0 ECADHO C[C@@H](NCCCO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268734974 252184388 /nfs/dbraw/zinc/18/43/88/252184388.db2.gz VLNWUEUVKRPGFD-CQSZACIVSA-N 1 3 343.493 0.950 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423399995 285037666 /nfs/dbraw/zinc/03/76/66/285037666.db2.gz WHODKTCVDAWJAO-KGLIPLIRSA-N 1 3 335.452 0.717 20 0 ECADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000414745109 208428644 /nfs/dbraw/zinc/42/86/44/208428644.db2.gz PBEAWEYPTSAAFN-AWEZNQCLSA-N 1 3 346.479 0.606 20 0 ECADHO C[C@H](C(=O)NCCc1ccccc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430607383 210388915 /nfs/dbraw/zinc/38/89/15/210388915.db2.gz YLTGVRUHLCXOLR-NVXWUHKLSA-N 1 3 346.475 0.521 20 0 ECADHO CCC[NH+]1CCC(N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)CC1 ZINC000112324815 220303302 /nfs/dbraw/zinc/30/33/02/220303302.db2.gz ZHCXCWWRLQFCPJ-CQSZACIVSA-N 1 3 345.509 0.438 20 0 ECADHO CN(C[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1)C(=O)OC(C)(C)C ZINC000496171491 255077542 /nfs/dbraw/zinc/07/75/42/255077542.db2.gz RQLSCVKHYNBULO-KBPBESRZSA-N 1 3 331.457 0.261 20 0 ECADHO CN(C[C@@H](O)CNCCC[NH+]1CCC(O)CC1)C(=O)OC(C)(C)C ZINC000496895957 255139993 /nfs/dbraw/zinc/13/99/93/255139993.db2.gz VGTHVJFFCKFMNX-HNNXBMFYSA-N 1 3 345.484 0.651 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000173976437 285278541 /nfs/dbraw/zinc/27/85/41/285278541.db2.gz HUJIDJJQOKUFSI-GJZGRUSLSA-N 1 3 341.500 0.521 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000173976437 285278542 /nfs/dbraw/zinc/27/85/42/285278542.db2.gz HUJIDJJQOKUFSI-GJZGRUSLSA-N 1 3 341.500 0.521 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000419190012 209017887 /nfs/dbraw/zinc/01/78/87/209017887.db2.gz MDIWCTZYOLHISH-HNNXBMFYSA-N 1 3 346.475 0.881 20 0 ECADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)[C@H](C)CN ZINC000419212975 209028140 /nfs/dbraw/zinc/02/81/40/209028140.db2.gz KXDZUXXSZNNHFN-CQSZACIVSA-N 1 3 334.464 0.949 20 0 ECADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)[C@H](C)CN ZINC000419212975 209028142 /nfs/dbraw/zinc/02/81/42/209028142.db2.gz KXDZUXXSZNNHFN-CQSZACIVSA-N 1 3 334.464 0.949 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000419215284 209028838 /nfs/dbraw/zinc/02/88/38/209028838.db2.gz NZJDHTLETMEQCJ-HNNXBMFYSA-N 1 3 348.447 0.111 20 0 ECADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232766 209035163 /nfs/dbraw/zinc/03/51/63/209035163.db2.gz VBONTORKPMPXSE-QAPCUYQASA-N 1 3 336.480 0.564 20 0 ECADHO [NH3+][C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000119643717 221366081 /nfs/dbraw/zinc/36/60/81/221366081.db2.gz OECAHWRPNCBTIY-QGZVFWFLSA-N 1 3 344.459 0.843 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1c2ccccc2CCC1=O ZINC000110718550 296638610 /nfs/dbraw/zinc/63/86/10/296638610.db2.gz GVCFNVZZPDHCRJ-UHFFFAOYSA-N 1 3 346.475 0.918 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000129697034 296663185 /nfs/dbraw/zinc/66/31/85/296663185.db2.gz RTTXUDSQKHGOAN-QGZVFWFLSA-N 1 3 344.500 0.488 20 0 ECADHO CCO[C@H]1C[C@@](N)(C(=O)NCC2([NH+](C)C)CCOCC2)C1(C)C ZINC000188202833 286503242 /nfs/dbraw/zinc/50/32/42/286503242.db2.gz PEAFHEXYFBCUGO-SUMWQHHRSA-N 1 3 327.469 0.746 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)CC2 ZINC000246419068 165133738 /nfs/dbraw/zinc/13/37/38/165133738.db2.gz LRJGRJMPUPEHPS-KGLIPLIRSA-N 1 3 348.451 0.078 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000247256372 165158688 /nfs/dbraw/zinc/15/86/88/165158688.db2.gz YUCWRSUPCRLYFD-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000247256372 165158694 /nfs/dbraw/zinc/15/86/94/165158694.db2.gz YUCWRSUPCRLYFD-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000249468464 165199280 /nfs/dbraw/zinc/19/92/80/165199280.db2.gz SXQIBZYINFLLEC-KGLIPLIRSA-N 1 3 328.457 0.559 20 0 ECADHO NC(=O)c1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000262121277 165294064 /nfs/dbraw/zinc/29/40/64/165294064.db2.gz CANJDBHSYXFTSB-WBVHZDCISA-N 1 3 344.459 0.866 20 0 ECADHO O=C(CN1CCNC[C@@H]1c1cccnc1)NC1CC[NH+](C2CC2)CC1 ZINC000262205266 165308861 /nfs/dbraw/zinc/30/88/61/165308861.db2.gz KYXGJWOEUSEDGT-GOSISDBHSA-N 1 3 343.475 0.771 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262355071 165334995 /nfs/dbraw/zinc/33/49/95/165334995.db2.gz JEBRTIOHZXQJQR-GFCCVEGCSA-N 1 3 325.482 0.400 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000262515525 165358083 /nfs/dbraw/zinc/35/80/83/165358083.db2.gz RVMCYENGXSFMNV-CTVHLWBWSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)C[C@@H](C)O1 ZINC000262520577 165358887 /nfs/dbraw/zinc/35/88/87/165358887.db2.gz NTZGVXKOQPINDR-JHNDHUHGSA-N 1 3 339.480 0.447 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC(C)C1)N(C)C ZINC000456696353 287465754 /nfs/dbraw/zinc/46/57/54/287465754.db2.gz KGRRXXLNAAERKP-HZPDHXFCSA-N 1 3 340.512 0.974 20 0 ECADHO CC[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000123430056 222276248 /nfs/dbraw/zinc/27/62/48/222276248.db2.gz RSIQDBLPNKLCMN-KBPBESRZSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000331690600 296957601 /nfs/dbraw/zinc/95/76/01/296957601.db2.gz SZACCPVGCFYBBN-XHSDSOJGSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CC[C@](O)(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000491331895 421206319 /nfs/dbraw/zinc/20/63/19/421206319.db2.gz FSAPWISQHVVLGC-INIZCTEOSA-N 1 3 336.440 0.338 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000174629489 263150653 /nfs/dbraw/zinc/15/06/53/263150653.db2.gz URBKPEMOMYAMQZ-CVEARBPZSA-N 1 3 327.517 0.899 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000174629489 263150655 /nfs/dbraw/zinc/15/06/55/263150655.db2.gz URBKPEMOMYAMQZ-CVEARBPZSA-N 1 3 327.517 0.899 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000283803095 264154065 /nfs/dbraw/zinc/15/40/65/264154065.db2.gz WHBAULUKNRZRQV-QGZVFWFLSA-N 1 3 348.491 0.734 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340200013 437594355 /nfs/dbraw/zinc/59/43/55/437594355.db2.gz DMRMHYKJYCDEDQ-OAHLLOKOSA-N 1 3 336.480 0.435 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340200013 437594361 /nfs/dbraw/zinc/59/43/61/437594361.db2.gz DMRMHYKJYCDEDQ-OAHLLOKOSA-N 1 3 336.480 0.435 20 0 ECADHO CC1[C@@H](C(=O)N2CC[C@H](N(C)C)C2)[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000449845258 276200624 /nfs/dbraw/zinc/20/06/24/276200624.db2.gz ZOQRTCRHPSONNI-CAOSSQGBSA-N 1 3 336.480 0.194 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@H]1CCCN1CCCO ZINC000418620088 278223339 /nfs/dbraw/zinc/22/33/39/278223339.db2.gz QJRKXXUDVVRNGL-CABCVRRESA-N 1 3 326.485 0.911 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000419968058 278976146 /nfs/dbraw/zinc/97/61/46/278976146.db2.gz CVHZIUUPVNSDNW-CVEARBPZSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419018064 279135782 /nfs/dbraw/zinc/13/57/82/279135782.db2.gz BLNWTNVQZDDZOJ-CAOSSQGBSA-N 1 3 340.512 0.959 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000410808036 279177716 /nfs/dbraw/zinc/17/77/16/279177716.db2.gz JQEYAFSUCLWIDD-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419231143 279259293 /nfs/dbraw/zinc/25/92/93/279259293.db2.gz RAYAEJFVTQSXBQ-ZMSDIMECSA-N 1 3 346.475 0.867 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1ccnc1 ZINC000080565267 279302556 /nfs/dbraw/zinc/30/25/56/279302556.db2.gz PSYGJZAFRVVEAL-MRXNPFEDSA-N 1 3 336.484 0.941 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1ccnc1 ZINC000080565267 279302559 /nfs/dbraw/zinc/30/25/59/279302559.db2.gz PSYGJZAFRVVEAL-MRXNPFEDSA-N 1 3 336.484 0.941 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000417749328 279358327 /nfs/dbraw/zinc/35/83/27/279358327.db2.gz JLEBTHWYPWLGHI-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419374026 279838285 /nfs/dbraw/zinc/83/82/85/279838285.db2.gz PBHQPUMLZJIQTK-MRXNPFEDSA-N 1 3 338.496 0.727 20 0 ECADHO CC(C)[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)N1CCN(C)CC1 ZINC000457598447 280245059 /nfs/dbraw/zinc/24/50/59/280245059.db2.gz CNXXFWYXBAVJHF-YESZJQIVSA-N 1 3 337.512 0.604 20 0 ECADHO CC(C)[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)N1CCN(C)CC1 ZINC000457598447 280245061 /nfs/dbraw/zinc/24/50/61/280245061.db2.gz CNXXFWYXBAVJHF-YESZJQIVSA-N 1 3 337.512 0.604 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000263280309 280274458 /nfs/dbraw/zinc/27/44/58/280274458.db2.gz ZZAFBVWBHIAAES-KQTLUZQSSA-N 1 3 326.485 0.569 20 0 ECADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418754566 281822851 /nfs/dbraw/zinc/82/28/51/281822851.db2.gz WTWOJMUEQSYKTD-OLZOCXBDSA-N 1 3 334.411 0.376 20 0 ECADHO CN(C)C/C=C\C(=O)N1CCC[C@@H](CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000492166862 282022679 /nfs/dbraw/zinc/02/26/79/282022679.db2.gz YWBJZZIXISBMNZ-GIDIUVPTSA-N 1 3 336.480 0.577 20 0 ECADHO CN(C)C/C=C\C(=O)NC[C@@H]1CCCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000492166862 282022681 /nfs/dbraw/zinc/02/26/81/282022681.db2.gz YWBJZZIXISBMNZ-GIDIUVPTSA-N 1 3 336.480 0.577 20 0 ECADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343640424 437609293 /nfs/dbraw/zinc/60/92/93/437609293.db2.gz MVJHHKMYIIPGRM-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000343640424 437609298 /nfs/dbraw/zinc/60/92/98/437609298.db2.gz MVJHHKMYIIPGRM-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000418994723 289224211 /nfs/dbraw/zinc/22/42/11/289224211.db2.gz MBPDLTFWFKONQT-UHFFFAOYSA-N 1 3 334.464 0.808 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000419119923 289574917 /nfs/dbraw/zinc/57/49/17/289574917.db2.gz KEVQAXCEIDKBOX-UGUYLWEFSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419156881 289633334 /nfs/dbraw/zinc/63/33/34/289633334.db2.gz KDJGVNIZNCBNQQ-XHSDSOJGSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419156779 289633380 /nfs/dbraw/zinc/63/33/80/289633380.db2.gz KDJGVNIZNCBNQQ-BZUAXINKSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)CC1 ZINC000419097349 289765196 /nfs/dbraw/zinc/76/51/96/289765196.db2.gz DTNSVVJFIQSNNK-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO NC[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000419781460 295262434 /nfs/dbraw/zinc/26/24/34/295262434.db2.gz SDMQGCFZKLNVLH-INIZCTEOSA-N 1 3 336.480 0.611 20 0 ECADHO N[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000419928312 295294539 /nfs/dbraw/zinc/29/45/39/295294539.db2.gz KWRFGFCHQKGTFM-IRXDYDNUSA-N 1 3 344.459 0.889 20 0 ECADHO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCC[C@H](N2CCCC2)C1 ZINC000423156323 295416972 /nfs/dbraw/zinc/41/69/72/295416972.db2.gz SBRJAALSNFMWSZ-QFBILLFUSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)CC[N@@H+]1C ZINC000333314405 297123552 /nfs/dbraw/zinc/12/35/52/297123552.db2.gz MDHSLKQWCPRKSY-STQMWFEESA-N 1 3 333.440 0.490 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)CC[N@H+]1C ZINC000333314405 297123554 /nfs/dbraw/zinc/12/35/54/297123554.db2.gz MDHSLKQWCPRKSY-STQMWFEESA-N 1 3 333.440 0.490 20 0 ECADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCSC1 ZINC000333465867 297136690 /nfs/dbraw/zinc/13/66/90/297136690.db2.gz ZWZTUYCTQHQCOC-ZBFHGGJFSA-N 1 3 341.525 0.113 20 0 ECADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000333833960 297151138 /nfs/dbraw/zinc/15/11/38/297151138.db2.gz NAEKNXPETWUHHJ-HRCADAONSA-N 1 3 340.468 0.260 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)N1CCN(C)CC1 ZINC000333884388 297154036 /nfs/dbraw/zinc/15/40/36/297154036.db2.gz FKRRCTFKEGTKGS-OAHLLOKOSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)N1CCN(C)CC1 ZINC000333887930 297154407 /nfs/dbraw/zinc/15/44/07/297154407.db2.gz GIBAKEBJIFULOZ-PMPSAXMXSA-N 1 3 325.501 0.650 20 0 ECADHO CC(C)[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)N1CCN(C)CC1 ZINC000333887930 297154408 /nfs/dbraw/zinc/15/44/08/297154408.db2.gz GIBAKEBJIFULOZ-PMPSAXMXSA-N 1 3 325.501 0.650 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000339587265 297361871 /nfs/dbraw/zinc/36/18/71/297361871.db2.gz OPLNDWHRPGKLQU-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339742914 297376501 /nfs/dbraw/zinc/37/65/01/297376501.db2.gz MXUBNADERHGGNW-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1N(C)C ZINC000339743834 297376710 /nfs/dbraw/zinc/37/67/10/297376710.db2.gz WQQXZCRAVTUTJZ-PBHICJAKSA-N 1 3 346.475 0.773 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000339752435 297378870 /nfs/dbraw/zinc/37/88/70/297378870.db2.gz YQFBFWCTHKOZMM-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339755675 297379655 /nfs/dbraw/zinc/37/96/55/297379655.db2.gz VJGWAPGUELONSV-MRXNPFEDSA-N 1 3 338.496 0.969 20 0 ECADHO CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N(CC)CC ZINC000345963323 298202889 /nfs/dbraw/zinc/20/28/89/298202889.db2.gz QNQCAVNFUFPQOS-CABCVRRESA-N 1 3 326.485 0.810 20 0 ECADHO CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N(CC)CC ZINC000345963323 298202891 /nfs/dbraw/zinc/20/28/91/298202891.db2.gz QNQCAVNFUFPQOS-CABCVRRESA-N 1 3 326.485 0.810 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000346293816 298252224 /nfs/dbraw/zinc/25/22/24/298252224.db2.gz KOMHIHLOICEXKT-KRWDZBQOSA-N 1 3 338.496 0.195 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCn2cncn2)CC1 ZINC000346847240 298354253 /nfs/dbraw/zinc/35/42/53/298354253.db2.gz OONIHDLCEFDYHL-UHFFFAOYSA-N 1 3 336.484 0.838 20 0 ECADHO COC(=O)COc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347031728 298390791 /nfs/dbraw/zinc/39/07/91/298390791.db2.gz AMLYRTBOGBKSIG-HNNXBMFYSA-N 1 3 349.431 0.525 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000351007778 298745980 /nfs/dbraw/zinc/74/59/80/298745980.db2.gz PYTFBCPWNKDLBE-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)c1ccc([C@H](N)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000351520925 298774316 /nfs/dbraw/zinc/77/43/16/298774316.db2.gz IJUGTGHINVTRLW-HZPDHXFCSA-N 1 3 332.448 0.794 20 0 ECADHO C[C@@H](CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[N@H+](C)C1CC1 ZINC000361539963 300106102 /nfs/dbraw/zinc/10/61/02/300106102.db2.gz UEENETWYBIYNMV-RDJZCZTQSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H](CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[N@@H+](C)C1CC1 ZINC000361539963 300106103 /nfs/dbraw/zinc/10/61/03/300106103.db2.gz UEENETWYBIYNMV-RDJZCZTQSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)CN1CCN(C)CC1 ZINC000362571525 300200127 /nfs/dbraw/zinc/20/01/27/300200127.db2.gz YUPXCPRNSYJDHG-UONOGXRCSA-N 1 3 334.468 0.100 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000364723545 300381899 /nfs/dbraw/zinc/38/18/99/300381899.db2.gz KQXZTDHHLSWQDO-CKEIUWERSA-N 1 3 327.469 0.603 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000364723545 300381902 /nfs/dbraw/zinc/38/19/02/300381902.db2.gz KQXZTDHHLSWQDO-CKEIUWERSA-N 1 3 327.469 0.603 20 0 ECADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000263315511 300819987 /nfs/dbraw/zinc/81/99/87/300819987.db2.gz ZKBNYNYKGRIFBL-YJBOKZPZSA-N 1 3 336.480 0.661 20 0 ECADHO O=C(C[C@@H]1CNCCO1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000370588481 300844889 /nfs/dbraw/zinc/84/48/89/300844889.db2.gz KNQVLPMTCAYCJM-ZIAGYGMSSA-N 1 3 347.415 0.912 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1=O ZINC000372432280 301000816 /nfs/dbraw/zinc/00/08/16/301000816.db2.gz TVAUYXIENQBEJV-HNNXBMFYSA-N 1 3 336.480 0.389 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1=O ZINC000081465917 436347553 /nfs/dbraw/zinc/34/75/53/436347553.db2.gz HVBYWAHVANWPST-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1=O ZINC000081465917 436347557 /nfs/dbraw/zinc/34/75/57/436347557.db2.gz HVBYWAHVANWPST-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOCCS(C)(=O)=O ZINC000090103809 436429827 /nfs/dbraw/zinc/42/98/27/436429827.db2.gz GNBIKKFRRLYMBP-PMPSAXMXSA-N 1 3 348.509 0.527 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOCCS(C)(=O)=O ZINC000090103809 436429830 /nfs/dbraw/zinc/42/98/30/436429830.db2.gz GNBIKKFRRLYMBP-PMPSAXMXSA-N 1 3 348.509 0.527 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCC(C(N)=O)CC1 ZINC000530629571 302019786 /nfs/dbraw/zinc/01/97/86/302019786.db2.gz AVPVJKPWZVNMSD-UHFFFAOYSA-N 1 3 327.473 0.165 20 0 ECADHO CN(C/C=C/C[N@H+](C)CCN1CCOCC1)CCN1CCOCC1 ZINC000114464601 436641803 /nfs/dbraw/zinc/64/18/03/436641803.db2.gz OSZLTNHIGLCQFH-ONEGZZNKSA-N 1 3 340.512 0.071 20 0 ECADHO CN(C/C=C/C[N@@H+](C)CCN1CCOCC1)CCN1CCOCC1 ZINC000114464601 436641805 /nfs/dbraw/zinc/64/18/05/436641805.db2.gz OSZLTNHIGLCQFH-ONEGZZNKSA-N 1 3 340.512 0.071 20 0 ECADHO CCN(C)CCNC(=O)C1CCC(C(=O)NCC[N@H+](C)CC)CC1 ZINC000112925522 436635523 /nfs/dbraw/zinc/63/55/23/436635523.db2.gz RMWAMWXUHRDPIX-UHFFFAOYSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(C)CCNC(=O)C1CCC(C(=O)NCC[N@@H+](C)CC)CC1 ZINC000112925522 436635525 /nfs/dbraw/zinc/63/55/25/436635525.db2.gz RMWAMWXUHRDPIX-UHFFFAOYSA-N 1 3 340.512 0.929 20 0 ECADHO CCO[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1OC ZINC000548523950 302306418 /nfs/dbraw/zinc/30/64/18/302306418.db2.gz LEVWVAOLUUMNPZ-ZNMIVQPWSA-N 1 3 330.473 0.314 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)N1CCC(C)CC1 ZINC000552690121 302396125 /nfs/dbraw/zinc/39/61/25/302396125.db2.gz MKJLMMCPQOYNBC-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000237027839 436720861 /nfs/dbraw/zinc/72/08/61/436720861.db2.gz RUDFWXRUCGOGAF-DLBZAZTESA-N 1 3 346.475 0.788 20 0 ECADHO C[C@H]1C[C@@H](NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000156111672 436809995 /nfs/dbraw/zinc/80/99/95/436809995.db2.gz PHEFSEPDFVCWKN-HOTGVXAUSA-N 1 3 346.479 0.588 20 0 ECADHO C[C@H]1C[C@@H](NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000156111672 436809999 /nfs/dbraw/zinc/80/99/99/436809999.db2.gz PHEFSEPDFVCWKN-HOTGVXAUSA-N 1 3 346.479 0.588 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H](N)C1CCOCC1 ZINC000261912198 436896201 /nfs/dbraw/zinc/89/62/01/436896201.db2.gz XRSJTQVEAGPDLY-QGZVFWFLSA-N 1 3 335.448 0.997 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000166612253 436939034 /nfs/dbraw/zinc/93/90/34/436939034.db2.gz FHJWBSODHUIWHX-BRWVUGGUSA-N 1 3 338.496 0.382 20 0 ECADHO COCCNCC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000166614409 436939979 /nfs/dbraw/zinc/93/99/79/436939979.db2.gz STVJGNGXZVYYMA-HZPDHXFCSA-N 1 3 326.485 0.239 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000168376716 436943163 /nfs/dbraw/zinc/94/31/63/436943163.db2.gz CSBUMBXBHNVDEU-INIZCTEOSA-N 1 3 332.448 0.736 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000262976857 436946382 /nfs/dbraw/zinc/94/63/82/436946382.db2.gz YGQLMACQMMDFIA-ROUUACIJSA-N 1 3 348.491 0.845 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CNCCC1(F)F ZINC000418742524 303373543 /nfs/dbraw/zinc/37/35/43/303373543.db2.gz BZGSXXHVRKAPRN-NEPJUHHUSA-N 1 3 347.410 0.013 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(=O)n(C)c1 ZINC000299729267 437105395 /nfs/dbraw/zinc/10/53/95/437105395.db2.gz VTLPWJISBLNRGD-MRXNPFEDSA-N 1 3 334.464 0.873 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(=O)n(C)c1 ZINC000299729267 437105398 /nfs/dbraw/zinc/10/53/98/437105398.db2.gz VTLPWJISBLNRGD-MRXNPFEDSA-N 1 3 334.464 0.873 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2COCCN2)CC1 ZINC000178873896 437236742 /nfs/dbraw/zinc/23/67/42/437236742.db2.gz WWFUKIRIYIMHOQ-GOSISDBHSA-N 1 3 346.475 0.429 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179284957 437257795 /nfs/dbraw/zinc/25/77/95/437257795.db2.gz PBYBQCJHAGKVPI-WBVHZDCISA-N 1 3 339.528 0.994 20 0 ECADHO CN1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000333607966 437278239 /nfs/dbraw/zinc/27/82/39/437278239.db2.gz QFISWHBQPMZARP-HZPDHXFCSA-N 1 3 330.432 0.816 20 0 ECADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000180463228 437292554 /nfs/dbraw/zinc/29/25/54/437292554.db2.gz GWBAFWUGDKAOFY-QGZVFWFLSA-N 1 3 338.496 0.382 20 0 ECADHO O[C@@H]1CC[C@@H]2CN(CC3(C[N@@H+]4C[C@@H]5CC[C@H](O)[C@H]5C4)COC3)C[C@@H]12 ZINC000329281829 437346630 /nfs/dbraw/zinc/34/66/30/437346630.db2.gz AFTUTTFOICACKS-COYYTBTLSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2CN(CC3(C[N@H+]4C[C@@H]5CC[C@H](O)[C@H]5C4)COC3)C[C@@H]12 ZINC000329281829 437346634 /nfs/dbraw/zinc/34/66/34/437346634.db2.gz AFTUTTFOICACKS-COYYTBTLSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2C[N@@H+](CC3(CN4C[C@@H]5CC[C@H](O)[C@H]5C4)COC3)C[C@@H]12 ZINC000329281829 437346637 /nfs/dbraw/zinc/34/66/37/437346637.db2.gz AFTUTTFOICACKS-COYYTBTLSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2C[N@H+](CC3(CN4C[C@@H]5CC[C@H](O)[C@H]5C4)COC3)C[C@@H]12 ZINC000329281829 437346640 /nfs/dbraw/zinc/34/66/40/437346640.db2.gz AFTUTTFOICACKS-COYYTBTLSA-N 1 3 336.476 0.408 20 0 ECADHO CCN1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182408248 437348473 /nfs/dbraw/zinc/34/84/73/437348473.db2.gz VPZUTYUNUXEWAM-CVEARBPZSA-N 1 3 331.526 0.959 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339651271 437483122 /nfs/dbraw/zinc/48/31/22/437483122.db2.gz KHKNADZDHJJJRP-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC000339656002 437485233 /nfs/dbraw/zinc/48/52/33/437485233.db2.gz ZBCJZNIFOBQPIU-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC000339656002 437485234 /nfs/dbraw/zinc/48/52/34/437485234.db2.gz ZBCJZNIFOBQPIU-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](O)CN(CCO)Cc1cccc(C[N@H+](CCO)C[C@@H](C)O)c1 ZINC000289746452 437439039 /nfs/dbraw/zinc/43/90/39/437439039.db2.gz JYGJNOFEGNKWBS-HZPDHXFCSA-N 1 3 340.464 0.037 20 0 ECADHO C[C@@H](O)CN(CCO)Cc1cccc(C[N@@H+](CCO)C[C@@H](C)O)c1 ZINC000289746452 437439041 /nfs/dbraw/zinc/43/90/41/437439041.db2.gz JYGJNOFEGNKWBS-HZPDHXFCSA-N 1 3 340.464 0.037 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C[NH+]1CCCC1 ZINC000339321214 437457078 /nfs/dbraw/zinc/45/70/78/437457078.db2.gz PPLGQMLNRJJLDZ-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000339667134 437487817 /nfs/dbraw/zinc/48/78/17/437487817.db2.gz GTNHSYNHJCCYJB-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000339667134 437487824 /nfs/dbraw/zinc/48/78/24/437487824.db2.gz GTNHSYNHJCCYJB-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1=O ZINC000360144028 437536465 /nfs/dbraw/zinc/53/64/65/437536465.db2.gz SPQIMJCAPMFGJV-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000339669202 437489250 /nfs/dbraw/zinc/48/92/50/437489250.db2.gz TYVYYRRMLLUNQP-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000339669202 437489256 /nfs/dbraw/zinc/48/92/56/437489256.db2.gz TYVYYRRMLLUNQP-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000354477402 437627299 /nfs/dbraw/zinc/62/72/99/437627299.db2.gz MYEYQZXSICJDQJ-MRXNPFEDSA-N 1 3 340.512 0.487 20 0 ECADHO CN1CC=C(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000343701450 437632056 /nfs/dbraw/zinc/63/20/56/437632056.db2.gz VUEIUPUDNUEOBM-OAHLLOKOSA-N 1 3 337.468 0.135 20 0 ECADHO CN1CC=C(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000343701450 437632059 /nfs/dbraw/zinc/63/20/59/437632059.db2.gz VUEIUPUDNUEOBM-OAHLLOKOSA-N 1 3 337.468 0.135 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)CN1CCN(C)CC1 ZINC000362073361 437712917 /nfs/dbraw/zinc/71/29/17/437712917.db2.gz VYVCCVQEMJVWIA-JKSUJKDBSA-N 1 3 325.501 0.463 20 0 ECADHO CN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000344010892 437717103 /nfs/dbraw/zinc/71/71/03/437717103.db2.gz LYSHJZKEWQLDQR-HUUCEWRRSA-N 1 3 326.485 0.443 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340832577 437748261 /nfs/dbraw/zinc/74/82/61/437748261.db2.gz VHCAXTAUWGCRRV-DJIMGWMZSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340832577 437748264 /nfs/dbraw/zinc/74/82/64/437748264.db2.gz VHCAXTAUWGCRRV-DJIMGWMZSA-N 1 3 348.491 0.863 20 0 ECADHO COC(=O)C1CC[NH+](CCCNC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000423750852 437822761 /nfs/dbraw/zinc/82/27/61/437822761.db2.gz AHFFSEGPIYBZPN-QGZVFWFLSA-N 1 3 347.459 0.948 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1COCCO1 ZINC000341025730 437777533 /nfs/dbraw/zinc/77/75/33/437777533.db2.gz VDHQLRPXPURMHO-HZPDHXFCSA-N 1 3 342.484 0.459 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1COCCO1 ZINC000341025730 437777538 /nfs/dbraw/zinc/77/75/38/437777538.db2.gz VDHQLRPXPURMHO-HZPDHXFCSA-N 1 3 342.484 0.459 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c(OCCN(C)C)c1 ZINC000415350173 437787950 /nfs/dbraw/zinc/78/79/50/437787950.db2.gz FILIELMXHORQCG-CQSZACIVSA-N 1 3 348.447 0.681 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])ccc1OCCN(C)C ZINC000415416589 437798871 /nfs/dbraw/zinc/79/88/71/437798871.db2.gz KTFZGNYJZQRYFC-CYBMUJFWSA-N 1 3 336.436 0.680 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000341162928 437806338 /nfs/dbraw/zinc/80/63/38/437806338.db2.gz LXTRYGGOLRLUOO-KBPBESRZSA-N 1 3 337.468 0.110 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000341162928 437806345 /nfs/dbraw/zinc/80/63/45/437806345.db2.gz LXTRYGGOLRLUOO-KBPBESRZSA-N 1 3 337.468 0.110 20 0 ECADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415536305 437815738 /nfs/dbraw/zinc/81/57/38/437815738.db2.gz FBCQADSBGJQEGZ-KBPBESRZSA-N 1 3 332.448 0.925 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415870594 437876676 /nfs/dbraw/zinc/87/66/76/437876676.db2.gz PDJHGYXAGQVAMS-CVEARBPZSA-N 1 3 344.459 0.797 20 0 ECADHO CN(C)CCNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000341526064 437856820 /nfs/dbraw/zinc/85/68/20/437856820.db2.gz BUOAMJDGUOEBDI-UHFFFAOYSA-N 1 3 332.448 0.940 20 0 ECADHO CN(C)CCNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000341526064 437856826 /nfs/dbraw/zinc/85/68/26/437856826.db2.gz BUOAMJDGUOEBDI-UHFFFAOYSA-N 1 3 332.448 0.940 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424300800 437921210 /nfs/dbraw/zinc/92/12/10/437921210.db2.gz UXCRZOFGQOOKIJ-DLBZAZTESA-N 1 3 348.495 0.136 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)N(C)C1CC1 ZINC000341938618 437928723 /nfs/dbraw/zinc/92/87/23/437928723.db2.gz DPVLFMSRQQLKOP-FMKPAKJESA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)N(C)C1CC1 ZINC000341938618 437928729 /nfs/dbraw/zinc/92/87/29/437928729.db2.gz DPVLFMSRQQLKOP-FMKPAKJESA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](NC(=O)Nc1cnc(N2CCNCC2)nc1)C(C)(C)C[NH+](C)C ZINC000415947745 437880936 /nfs/dbraw/zinc/88/09/36/437880936.db2.gz AUZJMSGKRUJRAO-ZDUSSCGKSA-N 1 3 349.483 0.984 20 0 ECADHO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]1CN1CCCC1 ZINC000424156114 437895264 /nfs/dbraw/zinc/89/52/64/437895264.db2.gz NPGPNTXXMMOTLA-GJZGRUSLSA-N 1 3 332.452 0.903 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347521930 437902450 /nfs/dbraw/zinc/90/24/50/437902450.db2.gz PAOXPOZJEVTITQ-UHFFFAOYSA-N 1 3 344.459 0.962 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C[C@H]2N)cn1 ZINC000424223535 437904893 /nfs/dbraw/zinc/90/48/93/437904893.db2.gz HVXNNEPMCKPXFT-VQHZYAGDSA-N 1 3 331.464 0.827 20 0 ECADHO CC[NH+](CC)CCSCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424227363 437907660 /nfs/dbraw/zinc/90/76/60/437907660.db2.gz QTBIDGBTRRPKHV-LSDHHAIUSA-N 1 3 339.509 0.748 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)C[NH2+]CC1CC1 ZINC000371270941 437908597 /nfs/dbraw/zinc/90/85/97/437908597.db2.gz KITDTWCLDVIIIW-UHFFFAOYSA-N 1 3 348.495 0.486 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000371269560 437909134 /nfs/dbraw/zinc/90/91/34/437909134.db2.gz APSXVGGJVCKSSF-AWEZNQCLSA-N 1 3 334.468 0.096 20 0 ECADHO CCN1CC[NH+](CCCCNC(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000347723479 437943002 /nfs/dbraw/zinc/94/30/02/437943002.db2.gz MBJHBUJKGWEEEO-KRWDZBQOSA-N 1 3 340.512 0.489 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342031702 437947030 /nfs/dbraw/zinc/94/70/30/437947030.db2.gz GSWHVVRDZNFPMO-IMJJTQAJSA-N 1 3 336.480 0.576 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342031702 437947040 /nfs/dbraw/zinc/94/70/40/437947040.db2.gz GSWHVVRDZNFPMO-IMJJTQAJSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424490929 437956314 /nfs/dbraw/zinc/95/63/14/437956314.db2.gz BBTQANMZUPPDPK-BHYGNILZSA-N 1 3 344.459 0.525 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000371556870 437956560 /nfs/dbraw/zinc/95/65/60/437956560.db2.gz HVPNVEQJZRMVEB-HUUCEWRRSA-N 1 3 328.457 0.117 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000371556870 437956563 /nfs/dbraw/zinc/95/65/63/437956563.db2.gz HVPNVEQJZRMVEB-HUUCEWRRSA-N 1 3 328.457 0.117 20 0 ECADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000357354097 437968381 /nfs/dbraw/zinc/96/83/81/437968381.db2.gz FWFDRHKMVBNGDH-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424543857 437971002 /nfs/dbraw/zinc/97/10/02/437971002.db2.gz KCOZDQVYFLKPKS-CWRNSKLLSA-N 1 3 330.432 0.183 20 0 ECADHO CN1CCN(CCCNC(=O)NCC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000417013134 438014375 /nfs/dbraw/zinc/01/43/75/438014375.db2.gz BRJSVQYJOLZPQR-GOSISDBHSA-N 1 3 345.491 0.884 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357583888 438018589 /nfs/dbraw/zinc/01/85/89/438018589.db2.gz WFMKSBZBQVNIBL-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357583888 438018592 /nfs/dbraw/zinc/01/85/92/438018592.db2.gz WFMKSBZBQVNIBL-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC[NH2+]C1CC1 ZINC000417430606 438049915 /nfs/dbraw/zinc/04/99/15/438049915.db2.gz POLFVBIDKVDVQD-HNNXBMFYSA-N 1 3 339.484 0.370 20 0 ECADHO CN(C)[C@@]1(CNC(=O)N2CCC(OCCC[NH3+])CC2)CCSC1 ZINC000417835290 438082152 /nfs/dbraw/zinc/08/21/52/438082152.db2.gz UISJAZOKSJYOAN-MRXNPFEDSA-N 1 3 344.525 0.963 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000348759524 438093101 /nfs/dbraw/zinc/09/31/01/438093101.db2.gz BHXQAWYJGORGFZ-GJZGRUSLSA-N 1 3 336.480 0.601 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000348759524 438093106 /nfs/dbraw/zinc/09/31/06/438093106.db2.gz BHXQAWYJGORGFZ-GJZGRUSLSA-N 1 3 336.480 0.601 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H](O)CN3)cc2)C1 ZINC000357903431 438094178 /nfs/dbraw/zinc/09/41/78/438094178.db2.gz GLNUIRYBLLLAME-KBMXLJTQSA-N 1 3 346.431 0.045 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H](O)CN3)cc2)C1 ZINC000357903431 438094183 /nfs/dbraw/zinc/09/41/83/438094183.db2.gz GLNUIRYBLLLAME-KBMXLJTQSA-N 1 3 346.431 0.045 20 0 ECADHO [NH3+][C@@H](CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)C1CC1 ZINC000417982618 438096514 /nfs/dbraw/zinc/09/65/14/438096514.db2.gz BJDAAJHVFDKECQ-SJORKVTESA-N 1 3 332.448 0.790 20 0 ECADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417994387 438099311 /nfs/dbraw/zinc/09/93/11/438099311.db2.gz YUJQVQRQOPTFFS-NVXWUHKLSA-N 1 3 333.480 0.710 20 0 ECADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417993132 438099841 /nfs/dbraw/zinc/09/98/41/438099841.db2.gz XKSNCBMEYGMLID-MRXNPFEDSA-N 1 3 333.480 0.711 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000417474532 438053918 /nfs/dbraw/zinc/05/39/18/438053918.db2.gz NQXCVBLJHINPGJ-MRXNPFEDSA-N 1 3 347.463 0.611 20 0 ECADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])CN1CCN(C)CC1 ZINC000417754549 438076186 /nfs/dbraw/zinc/07/61/86/438076186.db2.gz PSRIAPKEPCPHBX-OWCLPIDISA-N 1 3 325.501 0.781 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369439 438078104 /nfs/dbraw/zinc/07/81/04/438078104.db2.gz YQFZFHLGLHMVHB-DZGCQCFKSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H](NC(=O)NC[C@@H](O)CN1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418307658 438128827 /nfs/dbraw/zinc/12/88/27/438128827.db2.gz DSUWCNHXTACDDL-BZUAXINKSA-N 1 3 326.485 0.767 20 0 ECADHO CC(C)C[C@H](NC(=O)NC1CC[NH2+]CC1)C(=O)NCCN(C)C ZINC000418311700 438129958 /nfs/dbraw/zinc/12/99/58/438129958.db2.gz RLGMFYRRQMHUQC-AWEZNQCLSA-N 1 3 327.473 0.130 20 0 ECADHO C[NH2+]CCNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418327403 438131461 /nfs/dbraw/zinc/13/14/61/438131461.db2.gz MMRCVSOLSXFWHZ-UHFFFAOYSA-N 1 3 333.480 0.665 20 0 ECADHO CCC[NH2+]CCNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418480475 438148213 /nfs/dbraw/zinc/14/82/13/438148213.db2.gz QTBLDYQOVMGTGD-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418717009 438178184 /nfs/dbraw/zinc/17/81/84/438178184.db2.gz HSPHEBKFYSKSNK-FMKPAKJESA-N 1 3 349.479 0.310 20 0 ECADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418729949 438178634 /nfs/dbraw/zinc/17/86/34/438178634.db2.gz RQBLDEBTBHHYQX-NXNVCVFFSA-N 1 3 334.464 0.904 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418546273 438158744 /nfs/dbraw/zinc/15/87/44/438158744.db2.gz JIVHCDZPCJVZPY-HOCLYGCPSA-N 1 3 349.479 0.312 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418607149 438166412 /nfs/dbraw/zinc/16/64/12/438166412.db2.gz AKFRTMAGJFEPJZ-INIZCTEOSA-N 1 3 325.501 0.783 20 0 ECADHO COCC1(CNC(=O)NC[C@@H]2CCCCN2CCO)CC[NH2+]CC1 ZINC000418635182 438171386 /nfs/dbraw/zinc/17/13/86/438171386.db2.gz DDOZNZFSDGOCOD-HNNXBMFYSA-N 1 3 342.484 0.149 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000418849259 438216412 /nfs/dbraw/zinc/21/64/12/438216412.db2.gz MJDNEUSXKARLNY-CVEARBPZSA-N 1 3 332.448 0.129 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1ccccc1 ZINC000418860651 438222769 /nfs/dbraw/zinc/22/27/69/438222769.db2.gz LYPKDPTWFYBETE-ZBFHGGJFSA-N 1 3 334.464 0.991 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000351010627 438247295 /nfs/dbraw/zinc/24/72/95/438247295.db2.gz RIJFPUFYWRQTJU-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](CC)C1 ZINC000418865128 438225456 /nfs/dbraw/zinc/22/54/56/438225456.db2.gz LTOYDZWFRVEPAF-AWEZNQCLSA-N 1 3 326.485 0.729 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000418866246 438226966 /nfs/dbraw/zinc/22/69/66/438226966.db2.gz SJUQNPUEOQKUKS-MRXNPFEDSA-N 1 3 332.448 0.521 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418875608 438229704 /nfs/dbraw/zinc/22/97/04/438229704.db2.gz KXJBEJWCEDUPAM-ZACQAIPSSA-N 1 3 346.475 0.662 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418882751 438234311 /nfs/dbraw/zinc/23/43/11/438234311.db2.gz ZKADQXCGRNXRTP-DLBZAZTESA-N 1 3 346.475 0.391 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418880577 438235195 /nfs/dbraw/zinc/23/51/95/438235195.db2.gz VOLUIOPLOPOTEQ-HZPDHXFCSA-N 1 3 334.464 0.375 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418885236 438236198 /nfs/dbraw/zinc/23/61/98/438236198.db2.gz YGEZVVRQUSWCTK-LSDHHAIUSA-N 1 3 342.484 0.093 20 0 ECADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000367683865 438237348 /nfs/dbraw/zinc/23/73/48/438237348.db2.gz FYNLTRHHOYKFCJ-UHFFFAOYSA-N 1 3 343.479 0.946 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H]1CN ZINC000418813591 438197639 /nfs/dbraw/zinc/19/76/39/438197639.db2.gz YOZHOILIHOJSGK-HUUCEWRRSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCC(C)(C)N1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418843401 438211192 /nfs/dbraw/zinc/21/11/92/438211192.db2.gz RUPCREHWMJQDBV-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N(C)Cc1ccccc1 ZINC000418941459 438258482 /nfs/dbraw/zinc/25/84/82/438258482.db2.gz IAJBXXFYKRCSNC-HLLBOEOZSA-N 1 3 346.475 0.737 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)CN(CC)CC)CC1 ZINC000418950083 438261469 /nfs/dbraw/zinc/26/14/69/438261469.db2.gz SGEVLOUJPQWLGM-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000418953807 438263485 /nfs/dbraw/zinc/26/34/85/438263485.db2.gz VQIPDQXBUHJDQX-NVXWUHKLSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N(C)Cc1ccccc1 ZINC000418956096 438264020 /nfs/dbraw/zinc/26/40/20/438264020.db2.gz YZTKJSQEIHBLMA-BBRMVZONSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)N(C)Cc1ccccc1 ZINC000418961921 438265410 /nfs/dbraw/zinc/26/54/10/438265410.db2.gz KGAHJDSDKDWPQX-VYDXJSESSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000418969632 438267957 /nfs/dbraw/zinc/26/79/57/438267957.db2.gz VLPAEFRUNSCMQH-AWEZNQCLSA-N 1 3 332.448 0.573 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418992595 438274566 /nfs/dbraw/zinc/27/45/66/438274566.db2.gz JZBGTDWPLCQVHU-BBRMVZONSA-N 1 3 332.448 0.621 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000358676612 438278294 /nfs/dbraw/zinc/27/82/94/438278294.db2.gz DSYRNBDMUOAAPY-HLLBOEOZSA-N 1 3 326.485 0.720 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000358676612 438278298 /nfs/dbraw/zinc/27/82/98/438278298.db2.gz DSYRNBDMUOAAPY-HLLBOEOZSA-N 1 3 326.485 0.720 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCCCN(C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419000337 438278453 /nfs/dbraw/zinc/27/84/53/438278453.db2.gz OFAKSBXSXQHFRN-DOTOQJQBSA-N 1 3 346.475 0.820 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000351524493 438278846 /nfs/dbraw/zinc/27/88/46/438278846.db2.gz QWHSIPPLOSDHSV-IRXDYDNUSA-N 1 3 344.459 0.635 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017155 438287502 /nfs/dbraw/zinc/28/75/02/438287502.db2.gz AOULGUMHJUPYMI-GJZGRUSLSA-N 1 3 336.480 0.649 20 0 ECADHO NC[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000358744355 438293853 /nfs/dbraw/zinc/29/38/53/438293853.db2.gz OFYLNWDHVONPPY-ZFWWWQNUSA-N 1 3 336.411 0.182 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000419025151 438294153 /nfs/dbraw/zinc/29/41/53/438294153.db2.gz LZNIXBCMGKDOBS-ILXRZTDVSA-N 1 3 338.496 0.727 20 0 ECADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000358745742 438295102 /nfs/dbraw/zinc/29/51/02/438295102.db2.gz FSDZPDPTKYBBOR-QGZVFWFLSA-N 1 3 335.496 0.777 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000358536087 438250793 /nfs/dbraw/zinc/25/07/93/438250793.db2.gz YBCYBQAUHOOZDX-HNNXBMFYSA-N 1 3 344.500 0.705 20 0 ECADHO CN1CCN(C(=O)CCN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000368481925 438336508 /nfs/dbraw/zinc/33/65/08/438336508.db2.gz HYPQGIREIJYFIN-IXDOHACOSA-N 1 3 338.496 0.334 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCCC[C@H]1CN)C(C)(C)C ZINC000419141369 438344511 /nfs/dbraw/zinc/34/45/11/438344511.db2.gz XBKIUJFBVZGORI-KBPBESRZSA-N 1 3 326.485 0.809 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419049142 438304611 /nfs/dbraw/zinc/30/46/11/438304611.db2.gz XBQWLFROWVBRLO-KBPBESRZSA-N 1 3 326.485 0.585 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419072532 438311129 /nfs/dbraw/zinc/31/11/29/438311129.db2.gz BIRFEGGQTMQJGV-BZUAXINKSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCC[NH2+]C1 ZINC000420105325 438389283 /nfs/dbraw/zinc/38/92/83/438389283.db2.gz QGLPLIHNKKKQEA-YJBOKZPZSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000435361066 438360844 /nfs/dbraw/zinc/36/08/44/438360844.db2.gz CWZHFSRINONQBO-ZFWWWQNUSA-N 1 3 339.461 0.985 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419521893 438362846 /nfs/dbraw/zinc/36/28/46/438362846.db2.gz LKSAGDFARKFMGD-YNEHKIRRSA-N 1 3 328.457 0.062 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419521893 438362850 /nfs/dbraw/zinc/36/28/50/438362850.db2.gz LKSAGDFARKFMGD-YNEHKIRRSA-N 1 3 328.457 0.062 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCCCC1 ZINC000419699067 438369800 /nfs/dbraw/zinc/36/98/00/438369800.db2.gz VCUBJLGBFWEBEA-CQSZACIVSA-N 1 3 336.480 0.897 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419785732 438371562 /nfs/dbraw/zinc/37/15/62/438371562.db2.gz ZIDRWZHZSWOVRO-LSDHHAIUSA-N 1 3 338.496 0.810 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000419761511 438371731 /nfs/dbraw/zinc/37/17/31/438371731.db2.gz KGXAXPKTQHQVLP-MRXNPFEDSA-N 1 3 332.448 0.430 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)CC(C)C)C[C@@H]1C ZINC000419945982 438378745 /nfs/dbraw/zinc/37/87/45/438378745.db2.gz ADVAZHXDPJLKJZ-KKUMJFAQSA-N 1 3 326.485 0.807 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)CC(C)C)C[C@@H]1C ZINC000419945982 438378747 /nfs/dbraw/zinc/37/87/47/438378747.db2.gz ADVAZHXDPJLKJZ-KKUMJFAQSA-N 1 3 326.485 0.807 20 0 ECADHO CO[C@@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@H](C[NH3+])C1 ZINC000359237867 438387003 /nfs/dbraw/zinc/38/70/03/438387003.db2.gz MSSMQUKFHXUMHW-JKSUJKDBSA-N 1 3 339.480 0.986 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000359393371 438427721 /nfs/dbraw/zinc/42/77/21/438427721.db2.gz RMXHTSDBFLWWSL-DOTOQJQBSA-N 1 3 335.496 0.645 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000359393371 438427724 /nfs/dbraw/zinc/42/77/24/438427724.db2.gz RMXHTSDBFLWWSL-DOTOQJQBSA-N 1 3 335.496 0.645 20 0 ECADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC[C@H]1COc2ccccc2O1 ZINC000420335614 438400852 /nfs/dbraw/zinc/40/08/52/438400852.db2.gz LTESYICMRSMQNS-XHSDSOJGSA-N 1 3 345.443 0.874 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000359276774 438401873 /nfs/dbraw/zinc/40/18/73/438401873.db2.gz RKYRBVXZQMFYLG-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000359276774 438401877 /nfs/dbraw/zinc/40/18/77/438401877.db2.gz RKYRBVXZQMFYLG-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000359278943 438404150 /nfs/dbraw/zinc/40/41/50/438404150.db2.gz VHULKZOFPRFXGG-SOUVJXGZSA-N 1 3 326.485 0.774 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000359278943 438404151 /nfs/dbraw/zinc/40/41/51/438404151.db2.gz VHULKZOFPRFXGG-SOUVJXGZSA-N 1 3 326.485 0.774 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369557421 438490738 /nfs/dbraw/zinc/49/07/38/438490738.db2.gz VMPFQRYBGOGXOJ-SOUVJXGZSA-N 1 3 333.436 0.401 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000422116697 438522000 /nfs/dbraw/zinc/52/20/00/438522000.db2.gz LDOKWNRHMSLRTM-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000422116697 438522005 /nfs/dbraw/zinc/52/20/05/438522005.db2.gz LDOKWNRHMSLRTM-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO C[N@@H+]1CCN(CCNC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1(C)C ZINC000370018731 438542019 /nfs/dbraw/zinc/54/20/19/438542019.db2.gz JHLUOMYLXNQNJD-MRXNPFEDSA-N 1 3 335.496 0.668 20 0 ECADHO C[N@H+]1CCN(CCNC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1(C)C ZINC000370018731 438542021 /nfs/dbraw/zinc/54/20/21/438542021.db2.gz JHLUOMYLXNQNJD-MRXNPFEDSA-N 1 3 335.496 0.668 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000370271303 438566242 /nfs/dbraw/zinc/56/62/42/438566242.db2.gz SCRHWABAUNWBAG-UXLLHSPISA-N 1 3 326.460 0.705 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000370271303 438566245 /nfs/dbraw/zinc/56/62/45/438566245.db2.gz SCRHWABAUNWBAG-UXLLHSPISA-N 1 3 326.460 0.705 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000370300698 438568724 /nfs/dbraw/zinc/56/87/24/438568724.db2.gz PCILJJSSALUSGF-HZPDHXFCSA-N 1 3 342.484 0.195 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370300698 438568725 /nfs/dbraw/zinc/56/87/25/438568725.db2.gz PCILJJSSALUSGF-HZPDHXFCSA-N 1 3 342.484 0.195 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410439035 438584352 /nfs/dbraw/zinc/58/43/52/438584352.db2.gz VEKGLVPFOVHMBG-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410439035 438584353 /nfs/dbraw/zinc/58/43/53/438584353.db2.gz VEKGLVPFOVHMBG-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC(C)(C)CC[NH3+])c1 ZINC000422591612 438592610 /nfs/dbraw/zinc/59/26/10/438592610.db2.gz CMPZFGHDHLJJLE-UHFFFAOYSA-N 1 3 349.479 0.905 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)C[C@H]1CCCN1C)C(C)(C)C[NH+](C)C ZINC000422351495 438556907 /nfs/dbraw/zinc/55/69/07/438556907.db2.gz CIUWIXAOOVTADD-ZIAGYGMSSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCCN1C)C(C)(C)C[NH+](C)C ZINC000422351490 438557236 /nfs/dbraw/zinc/55/72/36/438557236.db2.gz CIUWIXAOOVTADD-KBPBESRZSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H](CCCC[NH3+])NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000422987781 438624871 /nfs/dbraw/zinc/62/48/71/438624871.db2.gz JCJVCMLXPVREOI-CQSZACIVSA-N 1 3 343.493 0.907 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000410780299 438656422 /nfs/dbraw/zinc/65/64/22/438656422.db2.gz QPBZHXNGLXUWLB-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410780299 438656425 /nfs/dbraw/zinc/65/64/25/438656425.db2.gz QPBZHXNGLXUWLB-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000410779714 438656474 /nfs/dbraw/zinc/65/64/74/438656474.db2.gz MDOSHNONEOVIRT-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000410779714 438656477 /nfs/dbraw/zinc/65/64/77/438656477.db2.gz MDOSHNONEOVIRT-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000423058362 438634014 /nfs/dbraw/zinc/63/40/14/438634014.db2.gz BXNPXUFGAKRXQO-OAHLLOKOSA-N 1 3 328.501 0.864 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000423157165 438642433 /nfs/dbraw/zinc/64/24/33/438642433.db2.gz USHJYFNOJSLWRL-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000423153695 438643862 /nfs/dbraw/zinc/64/38/62/438643862.db2.gz NYXWGVSWOCITDM-HOCLYGCPSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423209023 438649090 /nfs/dbraw/zinc/64/90/90/438649090.db2.gz ULFXLMTXWQYQGD-UHFFFAOYSA-N 1 3 340.855 0.647 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000423364316 438666522 /nfs/dbraw/zinc/66/65/22/438666522.db2.gz VJBVSIAHLHNUDY-YOEHRIQHSA-N 1 3 346.475 0.982 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1=O ZINC000453035016 438682287 /nfs/dbraw/zinc/68/22/87/438682287.db2.gz LSMPWAFAYLCIRP-VVLHAWIVSA-N 1 3 348.491 0.482 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1=O ZINC000453035016 438682290 /nfs/dbraw/zinc/68/22/90/438682290.db2.gz LSMPWAFAYLCIRP-VVLHAWIVSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414186326 438698817 /nfs/dbraw/zinc/69/88/17/438698817.db2.gz HOSVBJRGPRIJCA-SJLPKXTDSA-N 1 3 336.524 0.855 20 0 ECADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423298582 438658083 /nfs/dbraw/zinc/65/80/83/438658083.db2.gz OQFNSSVPEFXULW-UONOGXRCSA-N 1 3 341.477 0.953 20 0 ECADHO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414753489 438716292 /nfs/dbraw/zinc/71/62/92/438716292.db2.gz MNNNIGFHNRBGNY-OWCLPIDISA-N 1 3 347.525 0.747 20 0 ECADHO C[C@H]1CCN(CC(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000553327782 438749767 /nfs/dbraw/zinc/74/97/67/438749767.db2.gz QEJVMVLLZICKSA-HNNXBMFYSA-N 1 3 331.464 0.791 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000576809010 438799318 /nfs/dbraw/zinc/79/93/18/438799318.db2.gz VBXIZOXJXKWMTL-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576308785 438777789 /nfs/dbraw/zinc/77/77/89/438777789.db2.gz CYBATQQQUUTWLK-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)[NH+]1CCCC1 ZINC000576685291 438793767 /nfs/dbraw/zinc/79/37/67/438793767.db2.gz ITLBMALOIPFJNP-CYBMUJFWSA-N 1 3 346.431 0.708 20 0 ECADHO CC1CC[NH+](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000457697719 438821224 /nfs/dbraw/zinc/82/12/24/438821224.db2.gz UQMASMKNQRDSCW-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000514663870 438822171 /nfs/dbraw/zinc/82/21/71/438822171.db2.gz YLAVWDPHZFTGBC-AWEZNQCLSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)C[NH+]1CCCC1 ZINC000457885241 438838445 /nfs/dbraw/zinc/83/84/45/438838445.db2.gz PVTVTDPCWYKJAC-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595959418 438900403 /nfs/dbraw/zinc/90/04/03/438900403.db2.gz DNXOXAQGTHIOOQ-HZPDHXFCSA-N 1 3 337.489 0.950 20 0 ECADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595959418 438900409 /nfs/dbraw/zinc/90/04/09/438900409.db2.gz DNXOXAQGTHIOOQ-HZPDHXFCSA-N 1 3 337.489 0.950 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)C2)C1 ZINC000516308515 438901388 /nfs/dbraw/zinc/90/13/88/438901388.db2.gz GZGLIJBHERYGEW-BORJPKMPSA-N 1 3 334.464 0.126 20 0 ECADHO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000578175164 438903095 /nfs/dbraw/zinc/90/30/95/438903095.db2.gz LPMRUFBKXYTFKJ-UHFFFAOYSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C(C)(C)C[NH+](C)C ZINC000515395118 438866161 /nfs/dbraw/zinc/86/61/61/438866161.db2.gz GSAUHQSOODFCIR-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO N[C@@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000577750689 438870028 /nfs/dbraw/zinc/87/00/28/438870028.db2.gz RSUAXGOPIXFNSF-FCEWJHQRSA-N 1 3 344.459 0.840 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)N1CCN(C)CC1 ZINC000577830969 438874965 /nfs/dbraw/zinc/87/49/65/438874965.db2.gz LLDKQFUXYUZCOP-UONOGXRCSA-N 1 3 347.454 0.555 20 0 ECADHO COC(=O)c1cn([C@@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)nn1 ZINC000595890367 438878117 /nfs/dbraw/zinc/87/81/17/438878117.db2.gz CTRQSUWEWQTDRR-CHWSQXEVSA-N 1 3 335.408 0.223 20 0 ECADHO COC(=O)c1cn([C@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)nn1 ZINC000595890376 438879215 /nfs/dbraw/zinc/87/92/15/438879215.db2.gz CTRQSUWEWQTDRR-STQMWFEESA-N 1 3 335.408 0.223 20 0 ECADHO CC[C@H](C)N[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccco1 ZINC000578052942 438892392 /nfs/dbraw/zinc/89/23/92/438892392.db2.gz OUNLGCJPWZGXDH-SOUVJXGZSA-N 1 3 337.468 0.993 20 0 ECADHO N[C@@H]1CN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H]1c1ccccc1 ZINC000564949523 438892633 /nfs/dbraw/zinc/89/26/33/438892633.db2.gz XHYPZAWTWBKTBW-LDBYLJPUSA-N 1 3 327.428 0.754 20 0 ECADHO CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)NC3CNC3)c2)CC1 ZINC000516635153 438918828 /nfs/dbraw/zinc/91/88/28/438918828.db2.gz JMFFFLQUOVBWCS-UHFFFAOYSA-N 1 3 344.459 0.623 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000516649327 438919069 /nfs/dbraw/zinc/91/90/69/438919069.db2.gz IOACAZSOCMTXAG-ZBFHGGJFSA-N 1 3 330.432 0.187 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000516862036 438930863 /nfs/dbraw/zinc/93/08/63/438930863.db2.gz FKUYYQVTFDTCTG-RVKKMQEKSA-N 1 3 325.497 0.921 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(CC3CC3)CC2)C[C@H](C)O1 ZINC000516862036 438930870 /nfs/dbraw/zinc/93/08/70/438930870.db2.gz FKUYYQVTFDTCTG-RVKKMQEKSA-N 1 3 325.497 0.921 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000565415959 438949475 /nfs/dbraw/zinc/94/94/75/438949475.db2.gz FSMWINDMBJRZOW-SFHVURJKSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000459268663 438953473 /nfs/dbraw/zinc/95/34/73/438953473.db2.gz SKMIAMJYPGUJLT-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000459268663 438953479 /nfs/dbraw/zinc/95/34/79/438953479.db2.gz SKMIAMJYPGUJLT-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000517246625 438959122 /nfs/dbraw/zinc/95/91/22/438959122.db2.gz CCLBCVYXURAUMG-JYJNAYRXSA-N 1 3 338.496 0.951 20 0 ECADHO COCCn1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1=O ZINC000590817518 438961776 /nfs/dbraw/zinc/96/17/76/438961776.db2.gz YEWWYRFAYPEWTG-UHFFFAOYSA-N 1 3 338.452 0.060 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000565786696 438979937 /nfs/dbraw/zinc/97/99/37/438979937.db2.gz MEUIITBNFDBOHP-IXDOHACOSA-N 1 3 332.448 0.531 20 0 ECADHO CSC1(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC[NH+](C)CC1 ZINC000596601851 438980128 /nfs/dbraw/zinc/98/01/28/438980128.db2.gz FLGGGFRGBDDKBJ-STQMWFEESA-N 1 3 330.498 0.130 20 0 ECADHO COC(=O)[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596627716 438981768 /nfs/dbraw/zinc/98/17/68/438981768.db2.gz GFOAJRULKFKKBN-MELADBBJSA-N 1 3 328.457 0.509 20 0 ECADHO COC(=O)[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596627716 438981774 /nfs/dbraw/zinc/98/17/74/438981774.db2.gz GFOAJRULKFKKBN-MELADBBJSA-N 1 3 328.457 0.509 20 0 ECADHO COC[C@@](C)(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000601898365 438985348 /nfs/dbraw/zinc/98/53/48/438985348.db2.gz SANULELKNOUYKI-KRWDZBQOSA-N 1 3 342.484 0.242 20 0 ECADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)Cn1cccn1 ZINC000579223830 438990815 /nfs/dbraw/zinc/99/08/15/438990815.db2.gz XFUBLWBVSJHHKS-MSOLQXFVSA-N 1 3 330.432 0.600 20 0 ECADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000566436598 439054510 /nfs/dbraw/zinc/05/45/10/439054510.db2.gz CMWRXRNCQJDBNN-PMPSAXMXSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000566436598 439054514 /nfs/dbraw/zinc/05/45/14/439054514.db2.gz CMWRXRNCQJDBNN-PMPSAXMXSA-N 1 3 338.496 0.633 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000460027159 439059702 /nfs/dbraw/zinc/05/97/02/439059702.db2.gz KRPVSYJHRTUOQK-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C(N)=O)C3)CC2)CC1 ZINC000566467049 439061034 /nfs/dbraw/zinc/06/10/34/439061034.db2.gz RJVCUZIISJLUDU-UHFFFAOYSA-N 1 3 336.480 0.517 20 0 ECADHO Nc1cccc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000566245728 439031139 /nfs/dbraw/zinc/03/11/39/439031139.db2.gz QVQVHZWAWRJTSI-SJORKVTESA-N 1 3 329.448 0.989 20 0 ECADHO CC1(C)CC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000566748437 439086480 /nfs/dbraw/zinc/08/64/80/439086480.db2.gz KKZBCMZHOPHJLO-STQMWFEESA-N 1 3 337.468 0.249 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000597406600 439094086 /nfs/dbraw/zinc/09/40/86/439094086.db2.gz JMQUXXNPBZLVKW-OAHLLOKOSA-N 1 3 339.484 0.323 20 0 ECADHO CN(CC[C@H]1CCCCN1C)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602484997 439097515 /nfs/dbraw/zinc/09/75/15/439097515.db2.gz LRWHYPWSQVCOHV-JLCFBVMHSA-N 1 3 329.510 0.820 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000580541199 439102244 /nfs/dbraw/zinc/10/22/44/439102244.db2.gz MOMLTWSWCVIPSQ-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000521010154 439103144 /nfs/dbraw/zinc/10/31/44/439103144.db2.gz ORAGJMIXJIUSCG-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000521044955 439105433 /nfs/dbraw/zinc/10/54/33/439105433.db2.gz CXGREQSRFZNTDY-YOEHRIQHSA-N 1 3 344.459 0.481 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602577508 439113559 /nfs/dbraw/zinc/11/35/59/439113559.db2.gz VBERADTYQBLDHU-JKSUJKDBSA-N 1 3 333.432 0.905 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602577508 439113564 /nfs/dbraw/zinc/11/35/64/439113564.db2.gz VBERADTYQBLDHU-JKSUJKDBSA-N 1 3 333.432 0.905 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CNCc2ccccc21 ZINC000580645776 439114649 /nfs/dbraw/zinc/11/46/49/439114649.db2.gz YKPIKPOWWYIWLN-WBVHZDCISA-N 1 3 344.459 0.720 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000521417325 439117594 /nfs/dbraw/zinc/11/75/94/439117594.db2.gz YBKMJVOJXHMYSM-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000521417325 439117596 /nfs/dbraw/zinc/11/75/96/439117596.db2.gz YBKMJVOJXHMYSM-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000460080023 439077222 /nfs/dbraw/zinc/07/72/22/439077222.db2.gz KBIOOONJBNYJNC-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580291258 439078134 /nfs/dbraw/zinc/07/81/34/439078134.db2.gz DAVXIHRCFGIIIS-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000580291258 439078140 /nfs/dbraw/zinc/07/81/40/439078140.db2.gz DAVXIHRCFGIIIS-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000567712615 439168662 /nfs/dbraw/zinc/16/86/62/439168662.db2.gz HDMSXBQBWHGLJW-CYBMUJFWSA-N 1 3 333.440 0.444 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000567337393 439133132 /nfs/dbraw/zinc/13/31/32/439133132.db2.gz KVZMNLWMHQCZNA-OCCSQVGLSA-N 1 3 340.468 0.064 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000581188867 439180059 /nfs/dbraw/zinc/18/00/59/439180059.db2.gz ZSROSZUUBCOKRT-JYJNAYRXSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1 ZINC000581199711 439185705 /nfs/dbraw/zinc/18/57/05/439185705.db2.gz LTEYADBWSYUSOD-IBGZPJMESA-N 1 3 331.460 0.977 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1csc(CC[NH3+])n1 ZINC000581371101 439205323 /nfs/dbraw/zinc/20/53/23/439205323.db2.gz NGWGSSPSNXZCFA-LBPRGKRZSA-N 1 3 326.466 0.827 20 0 ECADHO CCN1CCO[C@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)C1 ZINC000525315266 439206840 /nfs/dbraw/zinc/20/68/40/439206840.db2.gz QNAFRJNNQLVHCH-INIZCTEOSA-N 1 3 333.436 0.493 20 0 ECADHO C[C@H](CN=c1cc(NC[C@@H](C)C[NH+](C)C)n2[n-]cnc2n1)C[NH+](C)C ZINC000489005770 439210070 /nfs/dbraw/zinc/21/00/70/439210070.db2.gz CHEZXEPLRBAMHX-ZIAGYGMSSA-N 1 3 348.499 0.765 20 0 ECADHO CN(CCC(=O)NC(=O)Nc1ccccc1)CCN1CC[NH2+]CC1 ZINC000592472093 439236879 /nfs/dbraw/zinc/23/68/79/439236879.db2.gz KBVOQOGKTJVWIH-UHFFFAOYSA-N 1 3 333.436 0.562 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000568610198 439262256 /nfs/dbraw/zinc/26/22/56/439262256.db2.gz UOYVJWNZBPKFKY-CVEARBPZSA-N 1 3 338.496 0.955 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000527381592 439268991 /nfs/dbraw/zinc/26/89/91/439268991.db2.gz ABANZJZYUXMNLZ-UHFFFAOYSA-N 1 3 348.398 0.979 20 0 ECADHO CN(C)[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)Cc1ccccc1 ZINC000569229285 439314878 /nfs/dbraw/zinc/31/48/78/439314878.db2.gz MXUPWJSPRMMWDI-RBUKOAKNSA-N 1 3 334.508 0.357 20 0 ECADHO CN(C)[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)Cc1ccccc1 ZINC000569229284 439316594 /nfs/dbraw/zinc/31/65/94/439316594.db2.gz MXUPWJSPRMMWDI-OALUTQOASA-N 1 3 334.508 0.357 20 0 ECADHO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000569091387 439301776 /nfs/dbraw/zinc/30/17/76/439301776.db2.gz JXGOZXJVRRUPCB-CYBMUJFWSA-N 1 3 333.440 0.350 20 0 ECADHO C[N@H+]1CCC[C@H](CNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000569091387 439301782 /nfs/dbraw/zinc/30/17/82/439301782.db2.gz JXGOZXJVRRUPCB-CYBMUJFWSA-N 1 3 333.440 0.350 20 0 ECADHO C[C@H](CN1C[C@@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569123973 439308072 /nfs/dbraw/zinc/30/80/72/439308072.db2.gz YMRRODKADCCSMO-YYFQZIEXSA-N 1 3 326.485 0.711 20 0 ECADHO CN(CCN1CC[NH2+]CC1)CCN1CCN(c2ccccc2)CC1 ZINC000569850716 439369849 /nfs/dbraw/zinc/36/98/49/439369849.db2.gz HVMIIGMSIOWIDE-UHFFFAOYSA-N 1 3 331.508 0.646 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C1 ZINC000606633200 439416898 /nfs/dbraw/zinc/41/68/98/439416898.db2.gz JXEHOIGXRPHTNF-OAHLLOKOSA-N 1 3 341.500 0.032 20 0 ECADHO COCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C1 ZINC000606633200 439416903 /nfs/dbraw/zinc/41/69/03/439416903.db2.gz JXEHOIGXRPHTNF-OAHLLOKOSA-N 1 3 341.500 0.032 20 0 ECADHO COCC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C1 ZINC000606633200 439416907 /nfs/dbraw/zinc/41/69/07/439416907.db2.gz JXEHOIGXRPHTNF-OAHLLOKOSA-N 1 3 341.500 0.032 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000583250612 439438449 /nfs/dbraw/zinc/43/84/49/439438449.db2.gz QRAUFITWALRGRE-KSZLIROESA-N 1 3 326.529 0.552 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000583250612 439438454 /nfs/dbraw/zinc/43/84/54/439438454.db2.gz QRAUFITWALRGRE-KSZLIROESA-N 1 3 326.529 0.552 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000583250611 439438596 /nfs/dbraw/zinc/43/85/96/439438596.db2.gz QRAUFITWALRGRE-FGTMMUONSA-N 1 3 326.529 0.552 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000583250611 439438600 /nfs/dbraw/zinc/43/86/00/439438600.db2.gz QRAUFITWALRGRE-FGTMMUONSA-N 1 3 326.529 0.552 20 0 ECADHO CN1CCC(C[NH2+]C[C@H](O)Cn2cccn2)(N2CCCCC2)CC1 ZINC000583626511 439490743 /nfs/dbraw/zinc/49/07/43/439490743.db2.gz VFWZKNUXWHLXBM-KRWDZBQOSA-N 1 3 335.496 0.784 20 0 ECADHO CN1CCN(CC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1(C)C ZINC000583791471 439511105 /nfs/dbraw/zinc/51/11/05/439511105.db2.gz UFTWUKFHVIOLCT-UHFFFAOYSA-N 1 3 337.468 0.123 20 0 ECADHO COCCN(C)C[C@H](O)CN1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000593969543 439503248 /nfs/dbraw/zinc/50/32/48/439503248.db2.gz DLAZNPCPSYKYAF-ARFHVFGLSA-N 1 3 331.526 0.437 20 0 ECADHO CN(C)C/C=C\C(=O)N(C)CC(C)(C)CNC(=O)/C=C\C[NH+](C)C ZINC000492401128 439533364 /nfs/dbraw/zinc/53/33/64/439533364.db2.gz SYDGCEJIKMLCEX-WGEIWTTOSA-N 1 3 338.496 0.823 20 0 ECADHO CN(C)C/C=C\C(=O)NCC(C)(C)CN(C)C(=O)/C=C\C[NH+](C)C ZINC000492401128 439533367 /nfs/dbraw/zinc/53/33/67/439533367.db2.gz SYDGCEJIKMLCEX-WGEIWTTOSA-N 1 3 338.496 0.823 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000608694528 439535698 /nfs/dbraw/zinc/53/56/98/439535698.db2.gz MWAQBGFHVDAVLS-HZPDHXFCSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC000608694528 439535700 /nfs/dbraw/zinc/53/57/00/439535700.db2.gz MWAQBGFHVDAVLS-HZPDHXFCSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC2CNC2)C1 ZINC000584043361 439543547 /nfs/dbraw/zinc/54/35/47/439543547.db2.gz FCFUSQOPKAWKQS-CQSZACIVSA-N 1 3 344.459 0.623 20 0 ECADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC2CNC2)C1 ZINC000584043361 439543552 /nfs/dbraw/zinc/54/35/52/439543552.db2.gz FCFUSQOPKAWKQS-CQSZACIVSA-N 1 3 344.459 0.623 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH2+]C(C)C)CC1=O ZINC000584294184 439572831 /nfs/dbraw/zinc/57/28/31/439572831.db2.gz HREZRRURESAINR-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO CSC1(CNC(=O)NC2(C[NH3+])CCOCC2)CCN(C)CC1 ZINC000599925207 439575972 /nfs/dbraw/zinc/57/59/72/439575972.db2.gz WRJDGGORNABWRX-UHFFFAOYSA-N 1 3 330.498 0.621 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000572534097 439591121 /nfs/dbraw/zinc/59/11/21/439591121.db2.gz NLGVWEWMCZGVSB-MRXNPFEDSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000584530341 439599009 /nfs/dbraw/zinc/59/90/09/439599009.db2.gz WJUWRFWVURQQHH-MELADBBJSA-N 1 3 326.485 0.855 20 0 ECADHO CC(C)[C@@H](CNC[C@@H](O)CN1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000572968898 439620005 /nfs/dbraw/zinc/62/00/05/439620005.db2.gz IQESRRBRRWIKHA-RTBURBONSA-N 1 3 340.556 0.941 20 0 ECADHO CC(C)[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N1CCC(C)CC1 ZINC000572968898 439620006 /nfs/dbraw/zinc/62/00/06/439620006.db2.gz IQESRRBRRWIKHA-RTBURBONSA-N 1 3 340.556 0.941 20 0 ECADHO CC(C)OC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000584716765 439610159 /nfs/dbraw/zinc/61/01/59/439610159.db2.gz MZAOGSBGXYAWCE-INIZCTEOSA-N 1 3 329.485 0.159 20 0 ECADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC[N@@H+]1C ZINC000574512728 439710785 /nfs/dbraw/zinc/71/07/85/439710785.db2.gz UWEOVNVZRIPHJA-VNQPRFMTSA-N 1 3 346.431 0.937 20 0 ECADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC[N@H+]1C ZINC000574512728 439710791 /nfs/dbraw/zinc/71/07/91/439710791.db2.gz UWEOVNVZRIPHJA-VNQPRFMTSA-N 1 3 346.431 0.937 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000612481736 439714854 /nfs/dbraw/zinc/71/48/54/439714854.db2.gz FBMLUHBTEBHNFO-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCN2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000611640436 439715525 /nfs/dbraw/zinc/71/55/25/439715525.db2.gz ITHJUZNNGQJBCS-IPYPFGDCSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCN2C(C)(C)C)C[N@H+]1C1CC1 ZINC000611640436 439715527 /nfs/dbraw/zinc/71/55/27/439715527.db2.gz ITHJUZNNGQJBCS-IPYPFGDCSA-N 1 3 336.480 0.717 20 0 ECADHO COCCN(C)C[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574701306 439722412 /nfs/dbraw/zinc/72/24/12/439722412.db2.gz XQJVNWRPGXWNRB-ZCNNSNEGSA-N 1 3 347.503 0.989 20 0 ECADHO COCCN(C)C[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574701306 439722415 /nfs/dbraw/zinc/72/24/15/439722415.db2.gz XQJVNWRPGXWNRB-ZCNNSNEGSA-N 1 3 347.503 0.989 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612915293 439746181 /nfs/dbraw/zinc/74/61/81/439746181.db2.gz QSOMLYYBXBSZNB-ZIAGYGMSSA-N 1 3 347.467 0.070 20 0 ECADHO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCN(CC2CCOCC2)CC1 ZINC000612974701 439747534 /nfs/dbraw/zinc/74/75/34/439747534.db2.gz RVIUPMIYWLAZTQ-INIZCTEOSA-N 1 3 336.480 0.882 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000612552004 439728966 /nfs/dbraw/zinc/72/89/66/439728966.db2.gz RVOBPINDLAICDL-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@@]3(C2)CCCN(C)C3)C1=O ZINC000595505291 439735504 /nfs/dbraw/zinc/73/55/04/439735504.db2.gz PQLCRSWECMVNDE-YJBOKZPZSA-N 1 3 337.464 0.958 20 0 ECADHO COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C)C3)C1=O ZINC000595505291 439735507 /nfs/dbraw/zinc/73/55/07/439735507.db2.gz PQLCRSWECMVNDE-YJBOKZPZSA-N 1 3 337.464 0.958 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612914252 439745501 /nfs/dbraw/zinc/74/55/01/439745501.db2.gz CSUOQQXTWNDCTE-ZIAGYGMSSA-N 1 3 349.483 0.446 20 0 ECADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614845629 439788410 /nfs/dbraw/zinc/78/84/10/439788410.db2.gz CYZMYGUWGUUPMO-QZTJIDSGSA-N 1 3 333.476 0.980 20 0 ECADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614845629 439788411 /nfs/dbraw/zinc/78/84/11/439788411.db2.gz CYZMYGUWGUUPMO-QZTJIDSGSA-N 1 3 333.476 0.980 20 0 ECADHO CCCN(C)CC(=O)N[C@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC000614986007 439791683 /nfs/dbraw/zinc/79/16/83/439791683.db2.gz ZHSCRKXMCMBODG-QGZVFWFLSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)N[C@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC000614986007 439791684 /nfs/dbraw/zinc/79/16/84/439791684.db2.gz ZHSCRKXMCMBODG-QGZVFWFLSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)N[C@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC000614986007 439791685 /nfs/dbraw/zinc/79/16/85/439791685.db2.gz ZHSCRKXMCMBODG-QGZVFWFLSA-N 1 3 326.485 0.777 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000652490867 439869696 /nfs/dbraw/zinc/86/96/96/439869696.db2.gz DNEABQGJUNZSCC-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000652490867 439869702 /nfs/dbraw/zinc/86/97/02/439869702.db2.gz DNEABQGJUNZSCC-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000662683979 439846488 /nfs/dbraw/zinc/84/64/88/439846488.db2.gz UZAMSHQOGQAHET-SJORKVTESA-N 1 3 333.432 0.946 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662719147 439857848 /nfs/dbraw/zinc/85/78/48/439857848.db2.gz BJJGQIWZEYXBFG-LSDHHAIUSA-N 1 3 332.452 0.807 20 0 ECADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662717816 439858175 /nfs/dbraw/zinc/85/81/75/439858175.db2.gz RFAKGKMJDLKROF-SJORKVTESA-N 1 3 335.448 0.650 20 0 ECADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1=O ZINC000662877685 439922841 /nfs/dbraw/zinc/92/28/41/439922841.db2.gz LAFNEPSGIVTPHS-ZBFHGGJFSA-N 1 3 336.480 0.849 20 0 ECADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1=O ZINC000662877685 439922849 /nfs/dbraw/zinc/92/28/49/439922849.db2.gz LAFNEPSGIVTPHS-ZBFHGGJFSA-N 1 3 336.480 0.849 20 0 ECADHO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000626798247 439884133 /nfs/dbraw/zinc/88/41/33/439884133.db2.gz KXRAHKWVMNGYGH-UHFFFAOYSA-N 1 3 346.431 0.660 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626817167 439895652 /nfs/dbraw/zinc/89/56/52/439895652.db2.gz MJKFPQFYGGZUDO-UHFFFAOYSA-N 1 3 346.431 0.661 20 0 ECADHO C[C@@H](Sc1nncn1C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505204 439899449 /nfs/dbraw/zinc/89/94/49/439899449.db2.gz XUOOKQHUXKFNSK-QWHCGFSZSA-N 1 3 342.513 0.684 20 0 ECADHO C[C@@H](Sc1nncn1C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505204 439899452 /nfs/dbraw/zinc/89/94/52/439899452.db2.gz XUOOKQHUXKFNSK-QWHCGFSZSA-N 1 3 342.513 0.684 20 0 ECADHO [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000652714320 439935056 /nfs/dbraw/zinc/93/50/56/439935056.db2.gz IKBNAUIQKINXTI-HNNXBMFYSA-N 1 3 336.480 0.709 20 0 ECADHO CCN(CCN)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000626853457 439914749 /nfs/dbraw/zinc/91/47/49/439914749.db2.gz BPJQAQDNGUAXIK-UHFFFAOYSA-N 1 3 349.435 0.323 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000642439436 439981569 /nfs/dbraw/zinc/98/15/69/439981569.db2.gz GYPPOOXBLPSOGV-QGZVFWFLSA-N 1 3 344.459 0.897 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCCCC1 ZINC000642084374 439945319 /nfs/dbraw/zinc/94/53/19/439945319.db2.gz PARMVWTXPKLRSZ-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000662925318 439945956 /nfs/dbraw/zinc/94/59/56/439945956.db2.gz HHEPCDLZZPABAP-CSLYMUCUSA-N 1 3 334.464 0.413 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662933037 439950756 /nfs/dbraw/zinc/95/07/56/439950756.db2.gz AYYARYWYVSUYOY-UHFFFAOYSA-N 1 3 340.493 0.834 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000626909061 439952614 /nfs/dbraw/zinc/95/26/14/439952614.db2.gz IYGLIROMWAVNRC-SWLSCSKDSA-N 1 3 334.420 0.432 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000662943692 439959380 /nfs/dbraw/zinc/95/93/80/439959380.db2.gz XAUYXRAVGHHULQ-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CN(CCN)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642252523 439961659 /nfs/dbraw/zinc/96/16/59/439961659.db2.gz RRKMUVMHHWYYBL-INIZCTEOSA-N 1 3 332.448 0.432 20 0 ECADHO CN(CCN)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642252523 439961665 /nfs/dbraw/zinc/96/16/65/439961665.db2.gz RRKMUVMHHWYYBL-INIZCTEOSA-N 1 3 332.448 0.432 20 0 ECADHO O=C(NCc1ccc2c(c1)CNC2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646990282 439962551 /nfs/dbraw/zinc/96/25/51/439962551.db2.gz VLUJCBOQMIDTOQ-HNNXBMFYSA-N 1 3 326.404 0.563 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000626936243 439964998 /nfs/dbraw/zinc/96/49/98/439964998.db2.gz FKOGMKWBERSISM-INIZCTEOSA-N 1 3 337.512 0.988 20 0 ECADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015751 439989578 /nfs/dbraw/zinc/98/95/78/439989578.db2.gz YBNKULOWISXMFX-CZUORRHYSA-N 1 3 348.495 0.899 20 0 ECADHO O=C(CNC1CC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663018518 439992804 /nfs/dbraw/zinc/99/28/04/439992804.db2.gz PUZGOPSFAVMFLV-CYBMUJFWSA-N 1 3 332.452 0.277 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000642644475 439997297 /nfs/dbraw/zinc/99/72/97/439997297.db2.gz NRKOJEJCELMKKB-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091759 439998312 /nfs/dbraw/zinc/99/83/12/439998312.db2.gz JCXBLGLMZUESBH-CABCVRRESA-N 1 3 337.468 0.075 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091761 439999384 /nfs/dbraw/zinc/99/93/84/439999384.db2.gz JCXBLGLMZUESBH-HUUCEWRRSA-N 1 3 337.468 0.075 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000627167814 440028343 /nfs/dbraw/zinc/02/83/43/440028343.db2.gz NIHPDJKYLMXWIZ-LSDHHAIUSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000642541114 439987459 /nfs/dbraw/zinc/98/74/59/439987459.db2.gz ZXRNNJGHYVZPLF-GFCCVEGCSA-N 1 3 338.477 0.540 20 0 ECADHO CN(Cc1ccccc1)C[C@H](O)CNC[C@@H](O)C[NH+]1CCCCC1 ZINC000647517950 440061376 /nfs/dbraw/zinc/06/13/76/440061376.db2.gz WGPMACCPYVSCHK-RTBURBONSA-N 1 3 335.492 0.916 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000642921406 440064157 /nfs/dbraw/zinc/06/41/57/440064157.db2.gz DKIMORCDUGVIBQ-HOTGVXAUSA-N 1 3 332.448 0.792 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642940048 440068132 /nfs/dbraw/zinc/06/81/32/440068132.db2.gz IUNNAPMAJFHPAB-GDBMZVCRSA-N 1 3 332.448 0.430 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000642958572 440069571 /nfs/dbraw/zinc/06/95/71/440069571.db2.gz UMEOHTHUUOQQHF-MJBXVCDLSA-N 1 3 340.468 0.205 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642988398 440075555 /nfs/dbraw/zinc/07/55/55/440075555.db2.gz KSFBFSPWSSHCRB-AWEZNQCLSA-N 1 3 333.436 0.364 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000643014593 440082115 /nfs/dbraw/zinc/08/21/15/440082115.db2.gz IVSGKYPJBPVJNO-QBPKDAKJSA-N 1 3 348.491 0.578 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636796983 440042539 /nfs/dbraw/zinc/04/25/39/440042539.db2.gz YCDNSVPNWQCPHW-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636796983 440042545 /nfs/dbraw/zinc/04/25/45/440042545.db2.gz YCDNSVPNWQCPHW-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[NH2+]1 ZINC000627201115 440043648 /nfs/dbraw/zinc/04/36/48/440043648.db2.gz FJLASXWIDYOBMY-RBSFLKMASA-N 1 3 337.468 0.075 20 0 ECADHO [NH3+]CCCOCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000627212326 440045952 /nfs/dbraw/zinc/04/59/52/440045952.db2.gz LPHYLLQXIJKMHZ-UHFFFAOYSA-N 1 3 328.457 0.106 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C[NH2+]1 ZINC000627208853 440046259 /nfs/dbraw/zinc/04/62/59/440046259.db2.gz ZNPTZZUKGNWUQZ-LSDHHAIUSA-N 1 3 339.484 0.418 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642809742 440047597 /nfs/dbraw/zinc/04/75/97/440047597.db2.gz CUQPTKWNVOQMSQ-KFWWJZLASA-N 1 3 336.480 0.433 20 0 ECADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642908863 440056705 /nfs/dbraw/zinc/05/67/05/440056705.db2.gz AJFXFJVQADXBFQ-GDBMZVCRSA-N 1 3 347.463 0.358 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC)CCN)[C@@H](C)C1 ZINC000627313383 440116389 /nfs/dbraw/zinc/11/63/89/440116389.db2.gz CWRQQKKTLPGOTM-GJZGRUSLSA-N 1 3 342.484 0.047 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC)CCN)[C@@H](C)C1 ZINC000627313383 440116392 /nfs/dbraw/zinc/11/63/92/440116392.db2.gz CWRQQKKTLPGOTM-GJZGRUSLSA-N 1 3 342.484 0.047 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)ccc1OCCN(C)C ZINC000663608587 440116946 /nfs/dbraw/zinc/11/69/46/440116946.db2.gz KKGUGKQVIQOEOS-GOSISDBHSA-N 1 3 348.447 0.742 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(=O)NCC[NH+](C)C ZINC000647717212 440126957 /nfs/dbraw/zinc/12/69/57/440126957.db2.gz CXFXKRZJFYARPU-GDBMZVCRSA-N 1 3 338.496 0.966 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000643394462 440135824 /nfs/dbraw/zinc/13/58/24/440135824.db2.gz LFSWYVPDKZEQBZ-GDBMZVCRSA-N 1 3 336.480 0.435 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000643394462 440135827 /nfs/dbraw/zinc/13/58/27/440135827.db2.gz LFSWYVPDKZEQBZ-GDBMZVCRSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000653369194 440136161 /nfs/dbraw/zinc/13/61/61/440136161.db2.gz MOEUHTDHDQBRPJ-UHFFFAOYSA-N 1 3 340.512 0.929 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000653369194 440136166 /nfs/dbraw/zinc/13/61/66/440136166.db2.gz MOEUHTDHDQBRPJ-UHFFFAOYSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000627345066 440137616 /nfs/dbraw/zinc/13/76/16/440137616.db2.gz AFGDZMAAIWSDSI-UHFFFAOYSA-N 1 3 332.448 0.706 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000643398559 440139975 /nfs/dbraw/zinc/13/99/75/440139975.db2.gz UGKFEZVKOGSQDB-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000643398559 440139981 /nfs/dbraw/zinc/13/99/81/440139981.db2.gz UGKFEZVKOGSQDB-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000653376875 440140558 /nfs/dbraw/zinc/14/05/58/440140558.db2.gz LSJFMJILRBDZSE-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000653376875 440140566 /nfs/dbraw/zinc/14/05/66/440140566.db2.gz LSJFMJILRBDZSE-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000627292824 440101847 /nfs/dbraw/zinc/10/18/47/440101847.db2.gz DVWPNZXSXSCXCZ-CWRNSKLLSA-N 1 3 332.448 0.142 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627311930 440115914 /nfs/dbraw/zinc/11/59/14/440115914.db2.gz KRXBNXBWFMSPNJ-RBSFLKMASA-N 1 3 338.496 0.870 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)C[NH2+]1 ZINC000627377428 440165484 /nfs/dbraw/zinc/16/54/84/440165484.db2.gz INFJTPOJWHFHNK-CZUORRHYSA-N 1 3 332.448 0.621 20 0 ECADHO CN(CCN1CC[NH2+]CC1)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000647835741 440166212 /nfs/dbraw/zinc/16/62/12/440166212.db2.gz LYLXZKQRYBEPER-SFHVURJKSA-N 1 3 347.507 0.243 20 0 ECADHO CN(C)[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@@H]1O ZINC000663764982 440169187 /nfs/dbraw/zinc/16/91/87/440169187.db2.gz UMNFFDHPCIJTFX-IKGGRYGDSA-N 1 3 334.464 0.476 20 0 ECADHO C[C@H](CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C ZINC000663915719 440195204 /nfs/dbraw/zinc/19/52/04/440195204.db2.gz HZGCJOXRNISORI-HUUCEWRRSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000643516708 440195715 /nfs/dbraw/zinc/19/57/15/440195715.db2.gz MLAAMBAKUSUGPK-DJIMGWMZSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000627427441 440196725 /nfs/dbraw/zinc/19/67/25/440196725.db2.gz FJMREXLFUSCDGP-CWRNSKLLSA-N 1 3 336.480 0.766 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000637052201 440148064 /nfs/dbraw/zinc/14/80/64/440148064.db2.gz VYIMXIMSHUQGLA-CGTJXYLNSA-N 1 3 346.475 0.873 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000637052201 440148069 /nfs/dbraw/zinc/14/80/69/440148069.db2.gz VYIMXIMSHUQGLA-CGTJXYLNSA-N 1 3 346.475 0.873 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627358055 440148465 /nfs/dbraw/zinc/14/84/65/440148465.db2.gz ZGRCUPSMGLGDGJ-HDICACEKSA-N 1 3 336.480 0.293 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000653391703 440149796 /nfs/dbraw/zinc/14/97/96/440149796.db2.gz IUEUXMZSOPKMHE-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000653391703 440149802 /nfs/dbraw/zinc/14/98/02/440149802.db2.gz IUEUXMZSOPKMHE-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000643594596 440220866 /nfs/dbraw/zinc/22/08/66/440220866.db2.gz WSZUZVQZGBXEHS-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659070152 440224948 /nfs/dbraw/zinc/22/49/48/440224948.db2.gz SXYMHYBYTRBBRH-HNNXBMFYSA-N 1 3 334.420 0.354 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)C1(n2cccn2)CC[NH2+]CC1 ZINC000648106724 440232159 /nfs/dbraw/zinc/23/21/59/440232159.db2.gz QAUFXJLPFYPKBH-UHFFFAOYSA-N 1 3 326.404 0.641 20 0 ECADHO O=C(NCC[NH2+]C1CC1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000637307634 440233304 /nfs/dbraw/zinc/23/33/04/440233304.db2.gz SAKHRQWNJSZGHW-SJLPKXTDSA-N 1 3 346.475 0.921 20 0 ECADHO [NH3+][C@H]1CCCCN(CC(=O)Nc2ccc3c(c2)CNCCO3)C1=O ZINC000648139373 440244127 /nfs/dbraw/zinc/24/41/27/440244127.db2.gz CIZVULUYHXGMNF-AWEZNQCLSA-N 1 3 332.404 0.447 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H]1O ZINC000664184516 440253052 /nfs/dbraw/zinc/25/30/52/440253052.db2.gz IZKKQGCYIWTAEM-HOTGVXAUSA-N 1 3 326.485 0.959 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCN(C)CC1 ZINC000654363892 440300186 /nfs/dbraw/zinc/30/01/86/440300186.db2.gz GNDUDBHAXNLZBT-IXDOHACOSA-N 1 3 339.528 0.898 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000664414242 440306661 /nfs/dbraw/zinc/30/66/61/440306661.db2.gz QRDRJVOQWNEPCT-DZGCQCFKSA-N 1 3 336.484 0.838 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000664414242 440306667 /nfs/dbraw/zinc/30/66/67/440306667.db2.gz QRDRJVOQWNEPCT-DZGCQCFKSA-N 1 3 336.484 0.838 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3CC[C@@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000637821434 440343392 /nfs/dbraw/zinc/34/33/92/440343392.db2.gz BGWQKHXIDZOVJP-LBPRGKRZSA-N 1 3 331.420 0.724 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NCC1=CC[NH2+]CC1 ZINC000659531863 440355135 /nfs/dbraw/zinc/35/51/35/440355135.db2.gz DWZMRYVXKGCPMP-SFHVURJKSA-N 1 3 344.459 0.972 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ncnn1C ZINC000664738011 440367734 /nfs/dbraw/zinc/36/77/34/440367734.db2.gz QRWKLFPECMMUON-STQMWFEESA-N 1 3 325.461 0.447 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ncnn1C ZINC000664738011 440367739 /nfs/dbraw/zinc/36/77/39/440367739.db2.gz QRWKLFPECMMUON-STQMWFEESA-N 1 3 325.461 0.447 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659453342 440327135 /nfs/dbraw/zinc/32/71/35/440327135.db2.gz XROUFRQAEHFBSE-UHFFFAOYSA-N 1 3 327.473 0.308 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000637753321 440331293 /nfs/dbraw/zinc/33/12/93/440331293.db2.gz QRWNQDKCPQQUPS-IRXDYDNUSA-N 1 3 337.512 0.798 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659681648 440416587 /nfs/dbraw/zinc/41/65/87/440416587.db2.gz YIWBQZMJTHWWSV-PQEJIFLISA-N 1 3 336.480 0.419 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000659689738 440425393 /nfs/dbraw/zinc/42/53/93/440425393.db2.gz JHXKQOBYQFEEAI-HNNXBMFYSA-N 1 3 346.475 0.534 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000659689693 440426541 /nfs/dbraw/zinc/42/65/41/440426541.db2.gz HUBDJUYWLPWSAA-HNNXBMFYSA-N 1 3 346.475 0.800 20 0 ECADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649268888 440427728 /nfs/dbraw/zinc/42/77/28/440427728.db2.gz FZRJQOVCNWGHIG-UKRRQHHQSA-N 1 3 348.447 0.221 20 0 ECADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629995 440382689 /nfs/dbraw/zinc/38/26/89/440382689.db2.gz KITIDAVVLSWDGX-WCQYABFASA-N 1 3 334.424 0.409 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)C[C@H]1C[NH3+] ZINC000633023874 440410572 /nfs/dbraw/zinc/41/05/72/440410572.db2.gz DFUYTDNNLVPWGF-ZIAGYGMSSA-N 1 3 348.447 0.619 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCCC1 ZINC000659733665 440469345 /nfs/dbraw/zinc/46/93/45/440469345.db2.gz FLTCOHLFHZKLNQ-HNNXBMFYSA-N 1 3 336.480 0.851 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000638167033 440469990 /nfs/dbraw/zinc/46/99/90/440469990.db2.gz YHBBBSWMIWUBBM-XHSDSOJGSA-N 1 3 327.469 0.557 20 0 ECADHO C[C@@H]1NCCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@H]1C ZINC000638206025 440477999 /nfs/dbraw/zinc/47/79/99/440477999.db2.gz KNRVEOHWMFACJE-UWVGGRQHSA-N 1 3 342.394 0.963 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633083849 440435288 /nfs/dbraw/zinc/43/52/88/440435288.db2.gz IIGTYXLGAIYBRX-XHSDSOJGSA-N 1 3 334.464 0.426 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)[C@]2(COC)CCCCN2)CC1 ZINC000638101183 440438095 /nfs/dbraw/zinc/43/80/95/440438095.db2.gz UPDPOVMAQCNIIO-QGZVFWFLSA-N 1 3 327.469 0.762 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](CN)C1 ZINC000659705125 440439506 /nfs/dbraw/zinc/43/95/06/440439506.db2.gz RSSLEVHPWZPNQV-CABCVRRESA-N 1 3 338.496 0.810 20 0 ECADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CNCCC1(F)F ZINC000644131138 440449444 /nfs/dbraw/zinc/44/94/44/440449444.db2.gz KPXCNXPOLCYMGW-NXEZZACHSA-N 1 3 344.328 0.184 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659716737 440451690 /nfs/dbraw/zinc/45/16/90/440451690.db2.gz XVDJANOKCPFXOC-KFWWJZLASA-N 1 3 336.480 0.896 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000633139025 440459724 /nfs/dbraw/zinc/45/97/24/440459724.db2.gz GEAOAMZLGDDAQE-PVAVHDDUSA-N 1 3 344.459 0.667 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234572 440486087 /nfs/dbraw/zinc/48/60/87/440486087.db2.gz NOAFMGUCZFEFKG-QGZVFWFLSA-N 1 3 327.469 0.573 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638250537 440489146 /nfs/dbraw/zinc/48/91/46/440489146.db2.gz ITESHWHLSBAYSI-IYBDPMFKSA-N 1 3 327.469 0.429 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000665595467 440498619 /nfs/dbraw/zinc/49/86/19/440498619.db2.gz ZUPAKXDXENEHIX-MELADBBJSA-N 1 3 337.472 0.855 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000665595467 440498626 /nfs/dbraw/zinc/49/86/26/440498626.db2.gz ZUPAKXDXENEHIX-MELADBBJSA-N 1 3 337.472 0.855 20 0 ECADHO COC[C@]1(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CCCCN1 ZINC000638345210 440518584 /nfs/dbraw/zinc/51/85/84/440518584.db2.gz CRNFHLCQFBRATO-BQFCYCMXSA-N 1 3 339.480 0.890 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000665762363 440524652 /nfs/dbraw/zinc/52/46/52/440524652.db2.gz BQMXNDRLKUSZTB-KBPBESRZSA-N 1 3 327.473 0.165 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000665762363 440524658 /nfs/dbraw/zinc/52/46/58/440524658.db2.gz BQMXNDRLKUSZTB-KBPBESRZSA-N 1 3 327.473 0.165 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000665762008 440525931 /nfs/dbraw/zinc/52/59/31/440525931.db2.gz XJABJQLFWXIZNQ-KKUMJFAQSA-N 1 3 330.473 0.050 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000665762008 440525938 /nfs/dbraw/zinc/52/59/38/440525938.db2.gz XJABJQLFWXIZNQ-KKUMJFAQSA-N 1 3 330.473 0.050 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCSC1 ZINC000665759277 440526822 /nfs/dbraw/zinc/52/68/22/440526822.db2.gz BMJGBAJUUKOEEW-ZFWWWQNUSA-N 1 3 332.514 0.426 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCSC1 ZINC000665759277 440526826 /nfs/dbraw/zinc/52/68/26/440526826.db2.gz BMJGBAJUUKOEEW-ZFWWWQNUSA-N 1 3 332.514 0.426 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cn(C)nn1 ZINC000665763440 440527493 /nfs/dbraw/zinc/52/74/93/440527493.db2.gz ASVFLZSXAQLXTG-ZDUSSCGKSA-N 1 3 325.461 0.229 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cn(C)nn1 ZINC000665763440 440527497 /nfs/dbraw/zinc/52/74/97/440527497.db2.gz ASVFLZSXAQLXTG-ZDUSSCGKSA-N 1 3 325.461 0.229 20 0 ECADHO CC(C)(O)CN1CCC([NH2+]CCS(=O)(=O)NCC2CCC2)CC1 ZINC000638524973 440562552 /nfs/dbraw/zinc/56/25/52/440562552.db2.gz VDOMSENJESZXNV-UHFFFAOYSA-N 1 3 347.525 0.531 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000638424967 440533302 /nfs/dbraw/zinc/53/33/02/440533302.db2.gz NEMHWWVBYAKGME-WMZOPIPTSA-N 1 3 347.459 0.935 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000638729934 440609376 /nfs/dbraw/zinc/60/93/76/440609376.db2.gz UOIIBRLOFWPXQK-UHFFFAOYSA-N 1 3 339.480 0.858 20 0 ECADHO O=C(CNC(=O)NC[C@@H]1CCCC[NH2+]1)NCCN1CCCCCC1 ZINC000634298447 440637116 /nfs/dbraw/zinc/63/71/16/440637116.db2.gz SKCSFVDGHQMAIQ-HNNXBMFYSA-N 1 3 339.484 0.420 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650769769 440680685 /nfs/dbraw/zinc/68/06/85/440680685.db2.gz DOYLKMYNVISXKZ-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO CO[C@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)[C@H]1CCOC1 ZINC000639170380 440690300 /nfs/dbraw/zinc/69/03/00/440690300.db2.gz BDXZUJMNQCSCLR-ZWKOTPCHSA-N 1 3 325.497 0.997 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)[C@H]1C[NH3+] ZINC000656027525 440697628 /nfs/dbraw/zinc/69/76/28/440697628.db2.gz CKRBLXZKBFRROM-FPCVCCKLSA-N 1 3 336.480 0.705 20 0 ECADHO CO[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCOC1 ZINC000639262312 440698553 /nfs/dbraw/zinc/69/85/53/440698553.db2.gz XNYNPPRNJBMWRG-IRXDYDNUSA-N 1 3 341.496 0.424 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000666923898 440711805 /nfs/dbraw/zinc/71/18/05/440711805.db2.gz UIOGVBPOKBCZTO-INIZCTEOSA-N 1 3 325.501 0.750 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000666923898 440711808 /nfs/dbraw/zinc/71/18/08/440711808.db2.gz UIOGVBPOKBCZTO-INIZCTEOSA-N 1 3 325.501 0.750 20 0 ECADHO O[C@@H](C[NH2+]CCCN1CCN(c2ncccn2)CC1)CN1CCCC1 ZINC000629555111 440727311 /nfs/dbraw/zinc/72/73/11/440727311.db2.gz UWCVKENCUQPNJQ-KRWDZBQOSA-N 1 3 348.495 0.035 20 0 ECADHO O[C@@H](CNCCCN1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000629555111 440727319 /nfs/dbraw/zinc/72/73/19/440727319.db2.gz UWCVKENCUQPNJQ-KRWDZBQOSA-N 1 3 348.495 0.035 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656309301 440761806 /nfs/dbraw/zinc/76/18/06/440761806.db2.gz NWKADGJBJCQNMZ-XHSDSOJGSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656309301 440761808 /nfs/dbraw/zinc/76/18/08/440761808.db2.gz NWKADGJBJCQNMZ-XHSDSOJGSA-N 1 3 338.496 0.966 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000629795081 440763087 /nfs/dbraw/zinc/76/30/87/440763087.db2.gz YRBBTDDPEFMFJS-HZPDHXFCSA-N 1 3 338.496 0.907 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000629795081 440763091 /nfs/dbraw/zinc/76/30/91/440763091.db2.gz YRBBTDDPEFMFJS-HZPDHXFCSA-N 1 3 338.496 0.907 20 0 ECADHO CC[NH+]1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000645260166 440770309 /nfs/dbraw/zinc/77/03/09/440770309.db2.gz LBZOPDVRTXLFPY-ZDUSSCGKSA-N 1 3 325.457 0.232 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CN1C1CC1 ZINC000656333557 440775949 /nfs/dbraw/zinc/77/59/49/440775949.db2.gz IWDWHUQLOQLOGN-YALNPMBYSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CN1C1CC1 ZINC000656333557 440775953 /nfs/dbraw/zinc/77/59/53/440775953.db2.gz IWDWHUQLOQLOGN-YALNPMBYSA-N 1 3 348.491 0.861 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000645311436 440782265 /nfs/dbraw/zinc/78/22/65/440782265.db2.gz QXEFREOVDVZBQX-OAHLLOKOSA-N 1 3 348.495 0.670 20 0 ECADHO CC(C)N1CCN(CCC[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639944090 440834394 /nfs/dbraw/zinc/83/43/94/440834394.db2.gz IRRGJRUYORAEPZ-ROUUACIJSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000645567271 440840947 /nfs/dbraw/zinc/84/09/47/440840947.db2.gz MYGRTSFCYWXDNC-UHFFFAOYSA-N 1 3 346.435 0.497 20 0 ECADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)C1 ZINC000656789694 440848899 /nfs/dbraw/zinc/84/88/99/440848899.db2.gz VSFKFBDTEOVBLF-KBAYOESNSA-N 1 3 330.476 0.919 20 0 ECADHO CC(=O)N1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000656540376 440815967 /nfs/dbraw/zinc/81/59/67/440815967.db2.gz HADMBYDJYBAOHR-AWEZNQCLSA-N 1 3 341.500 0.569 20 0 ECADHO CC(=O)N1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000656540376 440815972 /nfs/dbraw/zinc/81/59/72/440815972.db2.gz HADMBYDJYBAOHR-AWEZNQCLSA-N 1 3 341.500 0.569 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@H](CO)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000661222252 440817594 /nfs/dbraw/zinc/81/75/94/440817594.db2.gz ZFFZMIPBSGYDFC-USXIJHARSA-N 1 3 341.496 0.743 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635497354 440870241 /nfs/dbraw/zinc/87/02/41/440870241.db2.gz KTEIXRMZJGGBEW-UHFFFAOYSA-N 1 3 348.491 0.629 20 0 ECADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](CN)c3ccccc3)CC2)C1 ZINC000646002935 440969035 /nfs/dbraw/zinc/96/90/35/440969035.db2.gz KKHHHTAETATTEF-MSOLQXFVSA-N 1 3 330.476 0.967 20 0 ECADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](CN)c3ccccc3)CC2)C1 ZINC000646002935 440969041 /nfs/dbraw/zinc/96/90/41/440969041.db2.gz KKHHHTAETATTEF-MSOLQXFVSA-N 1 3 330.476 0.967 20 0 ECADHO CN(C)CCn1cc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cn1 ZINC000645803319 440923130 /nfs/dbraw/zinc/92/31/30/440923130.db2.gz QEHRHFLGQNZNHK-HNNXBMFYSA-N 1 3 331.424 0.818 20 0 ECADHO CC(C)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NCCN(C)C ZINC000635761680 440976432 /nfs/dbraw/zinc/97/64/32/440976432.db2.gz VTSVEBGCGQSKSQ-CABCVRRESA-N 1 3 326.485 0.537 20 0 ECADHO CC(C)C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NCCN(C)C ZINC000635761680 440976444 /nfs/dbraw/zinc/97/64/44/440976444.db2.gz VTSVEBGCGQSKSQ-CABCVRRESA-N 1 3 326.485 0.537 20 0 ECADHO [NH3+]CCOCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000646042229 440983673 /nfs/dbraw/zinc/98/36/73/440983673.db2.gz ZNPAKGHJGASFIF-UHFFFAOYSA-N 1 3 339.411 0.760 20 0 ECADHO CCN(CC)C(=O)CN1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260887 440995821 /nfs/dbraw/zinc/99/58/21/440995821.db2.gz QDWUDKCKUJUHGN-INIZCTEOSA-N 1 3 338.496 0.384 20 0 ECADHO C[C@@H]1CCCN(CC(=O)NCCCN2CCCC2=O)[C@@H]1CCC[NH3+] ZINC000662313690 441009816 /nfs/dbraw/zinc/00/98/16/441009816.db2.gz WJEPFJPJWHLVTJ-HZPDHXFCSA-N 1 3 338.496 0.955 20 0 ECADHO COC[C@@H](CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)OC ZINC000662335959 441016856 /nfs/dbraw/zinc/01/68/56/441016856.db2.gz BJUKWJZALYGBHS-LSDHHAIUSA-N 1 3 337.468 0.660 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652144434 441017929 /nfs/dbraw/zinc/01/79/29/441017929.db2.gz GOQPPUDZVOEEDF-CQSZACIVSA-N 1 3 339.484 0.357 20 0 ECADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2c1CNC2 ZINC000662562387 441070598 /nfs/dbraw/zinc/07/05/98/441070598.db2.gz YOQAPJYGJSQLQQ-CQSZACIVSA-N 1 3 342.365 0.856 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662437421 441042054 /nfs/dbraw/zinc/04/20/54/441042054.db2.gz PLCNAKOXCGUUBW-KRWDZBQOSA-N 1 3 344.459 0.962 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350088 441056252 /nfs/dbraw/zinc/05/62/52/441056252.db2.gz FKXNGHNCJSZNMV-KKUMJFAQSA-N 1 3 333.498 0.534 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657871060 441079999 /nfs/dbraw/zinc/07/99/99/441079999.db2.gz ZYKZCGKCUCXLRK-UHFFFAOYSA-N 1 3 345.447 0.283 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC3CC[NH+](C4CCC4)CC3)C[C@H]2N)cn1 ZINC000333608727 320920826 /nfs/dbraw/zinc/92/08/26/320920826.db2.gz RQEJHBBHWAQXQA-DLBZAZTESA-N 1 3 346.479 0.873 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000339670252 320995640 /nfs/dbraw/zinc/99/56/40/320995640.db2.gz MXZLRKMYQMLFMQ-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000340214102 321023312 /nfs/dbraw/zinc/02/33/12/321023312.db2.gz OCCXVVWPYYIVML-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000340214102 321023313 /nfs/dbraw/zinc/02/33/13/321023313.db2.gz OCCXVVWPYYIVML-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000340254111 321029836 /nfs/dbraw/zinc/02/98/36/321029836.db2.gz RSSBESKBVSDMGP-OAHLLOKOSA-N 1 3 341.500 0.032 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000340262018 321031806 /nfs/dbraw/zinc/03/18/06/321031806.db2.gz LGAGGPNJXATUCK-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000340264184 321032401 /nfs/dbraw/zinc/03/24/01/321032401.db2.gz ZUHLAXAIUXYOCY-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000340264184 321032403 /nfs/dbraw/zinc/03/24/03/321032403.db2.gz ZUHLAXAIUXYOCY-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)CN1CCN(C)CC1 ZINC000341242434 321052605 /nfs/dbraw/zinc/05/26/05/321052605.db2.gz UNLZOFCDSLAETM-INIZCTEOSA-N 1 3 339.528 0.853 20 0 ECADHO CCN(CC)C(=O)C[C@H](C)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341418726 321056362 /nfs/dbraw/zinc/05/63/62/321056362.db2.gz FUHIOCSOBOJTIN-GJZGRUSLSA-N 1 3 326.485 0.810 20 0 ECADHO CCN(CC)C(=O)C[C@H](C)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000341418726 321056363 /nfs/dbraw/zinc/05/63/63/321056363.db2.gz FUHIOCSOBOJTIN-GJZGRUSLSA-N 1 3 326.485 0.810 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+](CC)CC ZINC000342043745 321073124 /nfs/dbraw/zinc/07/31/24/321073124.db2.gz SEPCQVQJFILTJO-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343218570 321128702 /nfs/dbraw/zinc/12/87/02/321128702.db2.gz SWYFFNDBEGHWDW-QZTJIDSGSA-N 1 3 330.476 0.665 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000343634058 321140235 /nfs/dbraw/zinc/14/02/35/321140235.db2.gz FTPRKGRSJSQKBJ-GDBMZVCRSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000343634058 321140237 /nfs/dbraw/zinc/14/02/37/321140237.db2.gz FTPRKGRSJSQKBJ-GDBMZVCRSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000343634065 321140378 /nfs/dbraw/zinc/14/03/78/321140378.db2.gz FTPRKGRSJSQKBJ-ZBFHGGJFSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000343634065 321140380 /nfs/dbraw/zinc/14/03/80/321140380.db2.gz FTPRKGRSJSQKBJ-ZBFHGGJFSA-N 1 3 334.464 0.426 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000345432703 321187514 /nfs/dbraw/zinc/18/75/14/321187514.db2.gz LBELZEUHPLEPHJ-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346158031 321216478 /nfs/dbraw/zinc/21/64/78/321216478.db2.gz AYLJSQPQILUFLX-QKPAOTATSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000346158031 321216480 /nfs/dbraw/zinc/21/64/80/321216480.db2.gz AYLJSQPQILUFLX-QKPAOTATSA-N 1 3 340.512 0.925 20 0 ECADHO O[C@H](CN1CCOCC1)C[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000348324240 321272841 /nfs/dbraw/zinc/27/28/41/321272841.db2.gz RSQJPZRVTMUTDK-VAMGGRTRSA-N 1 3 345.487 0.743 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000521585388 321977370 /nfs/dbraw/zinc/97/73/70/321977370.db2.gz IKWARYUNRRJAJZ-AWEZNQCLSA-N 1 3 347.467 0.882 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CC2(O)CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000528434643 322024959 /nfs/dbraw/zinc/02/49/59/322024959.db2.gz XBSCCRRDNYWPNB-ZACQAIPSSA-N 1 3 325.497 0.610 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCCCCCC1=O ZINC000531357232 322039103 /nfs/dbraw/zinc/03/91/03/322039103.db2.gz FLYAWIZOUYTCTC-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000533111288 322064376 /nfs/dbraw/zinc/06/43/76/322064376.db2.gz AOERHLNXSUODFE-QZTJIDSGSA-N 1 3 335.448 0.052 20 0 ECADHO C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000560637431 322248267 /nfs/dbraw/zinc/24/82/67/322248267.db2.gz PXCIFRVLYLEQJZ-HUUCEWRRSA-N 1 3 326.485 0.443 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC(C)C[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000561770160 322263489 /nfs/dbraw/zinc/26/34/89/322263489.db2.gz FZIBBNPRNLBWFC-CAOSSQGBSA-N 1 3 340.512 0.781 20 0 ECADHO CC[NH+]1CCC(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000562294629 322269065 /nfs/dbraw/zinc/26/90/65/322269065.db2.gz GMFJWOTYYVNPTJ-MRXNPFEDSA-N 1 3 339.528 0.901 20 0 ECADHO COc1ccc(CCNC[C@@H]2CCC[NH2+]C2)cc1S(N)(=O)=O ZINC000567588809 322588322 /nfs/dbraw/zinc/58/83/22/322588322.db2.gz KKQSCEBCQJHBMT-CYBMUJFWSA-N 1 3 327.450 0.474 20 0 ECADHO COC[C@]1(C(=O)NCCCN2CCC(C(=O)OC)CC2)CC[NH2+]C1 ZINC000567796219 322598073 /nfs/dbraw/zinc/59/80/73/322598073.db2.gz LIQJQODQKORIAL-KRWDZBQOSA-N 1 3 341.452 0.004 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000571931582 322736596 /nfs/dbraw/zinc/73/65/96/322736596.db2.gz VZOJSTNNGOUGDG-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO COCCN1CCC(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000573679107 322765782 /nfs/dbraw/zinc/76/57/82/322765782.db2.gz CQDHEQBWEDMRJE-INIZCTEOSA-N 1 3 335.452 0.648 20 0 ECADHO CC[C@@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576308787 322805220 /nfs/dbraw/zinc/80/52/20/322805220.db2.gz CYBATQQQUUTWLK-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CC[C@@]1(C)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000577072254 322824329 /nfs/dbraw/zinc/82/43/29/322824329.db2.gz OAYLOTVJVMRLCW-SFHVURJKSA-N 1 3 340.512 0.977 20 0 ECADHO CN(C)C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000577269810 322830245 /nfs/dbraw/zinc/83/02/45/322830245.db2.gz JSUGVXSCLWYJGH-YESZJQIVSA-N 1 3 332.448 0.714 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000579948660 322911137 /nfs/dbraw/zinc/91/11/37/322911137.db2.gz ROOWPGOZVPDUPS-PCKAHOCUSA-N 1 3 327.469 0.482 20 0 ECADHO O=C(N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011686 782134577 /nfs/dbraw/zinc/13/45/77/782134577.db2.gz BSHUYBOUFZSBDH-ARFHVFGLSA-N 1 3 337.464 0.060 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262677703 535889669 /nfs/dbraw/zinc/88/96/69/535889669.db2.gz UHLAHKGPYCAOCO-CVEARBPZSA-N 1 3 332.448 0.722 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000130585061 545787512 /nfs/dbraw/zinc/78/75/12/545787512.db2.gz IWURRVZCGXYWOO-UHFFFAOYSA-N 1 3 348.451 0.244 20 0 ECADHO CN(CCNC(=O)c1ccc(C(=O)NCC[N@H+](C)C2CC2)o1)C1CC1 ZINC000268793812 545953939 /nfs/dbraw/zinc/95/39/39/545953939.db2.gz VVSZSDLHERDJOS-UHFFFAOYSA-N 1 3 348.447 0.928 20 0 ECADHO CN(CCNC(=O)c1ccc(C(=O)NCC[N@@H+](C)C2CC2)o1)C1CC1 ZINC000268793812 545953942 /nfs/dbraw/zinc/95/39/42/545953942.db2.gz VVSZSDLHERDJOS-UHFFFAOYSA-N 1 3 348.447 0.928 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)nn1 ZINC000305094954 545987700 /nfs/dbraw/zinc/98/77/00/545987700.db2.gz QWRMQBNZYPEUKR-UHFFFAOYSA-N 1 3 328.420 0.631 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333644715 546061872 /nfs/dbraw/zinc/06/18/72/546061872.db2.gz IVOQXVIWTOMMEI-HUUCEWRRSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000333905409 546064470 /nfs/dbraw/zinc/06/44/70/546064470.db2.gz JRQJGLYLFDSWII-SFHVURJKSA-N 1 3 337.512 0.798 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000342983252 546088607 /nfs/dbraw/zinc/08/86/07/546088607.db2.gz ANIQJEOTTPWTCB-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C[C@@H](C)O1 ZINC000359764182 546171359 /nfs/dbraw/zinc/17/13/59/546171359.db2.gz DZKQTHUMMONBDY-UYTYNIKBSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C[C@@H](C)O1 ZINC000359764182 546171363 /nfs/dbraw/zinc/17/13/63/546171363.db2.gz DZKQTHUMMONBDY-UYTYNIKBSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)C[C@@H](C)O1 ZINC000359764182 546171365 /nfs/dbraw/zinc/17/13/65/546171365.db2.gz DZKQTHUMMONBDY-UYTYNIKBSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)C[C@@H](C)O1 ZINC000359764182 546171369 /nfs/dbraw/zinc/17/13/69/546171369.db2.gz DZKQTHUMMONBDY-UYTYNIKBSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@H](CCN(C)CC1(O)CCOCC1)[N@H+](C)CC1(O)CCOCC1 ZINC000444750138 546232709 /nfs/dbraw/zinc/23/27/09/546232709.db2.gz YHQPPYAHSVUVDH-MRXNPFEDSA-N 1 3 344.496 0.712 20 0 ECADHO C[C@H](CCN(C)CC1(O)CCOCC1)[N@@H+](C)CC1(O)CCOCC1 ZINC000444750138 546232713 /nfs/dbraw/zinc/23/27/13/546232713.db2.gz YHQPPYAHSVUVDH-MRXNPFEDSA-N 1 3 344.496 0.712 20 0 ECADHO C[C@H](CC[N@H+](C)CC1(O)CCOCC1)N(C)CC1(O)CCOCC1 ZINC000444750138 546232717 /nfs/dbraw/zinc/23/27/17/546232717.db2.gz YHQPPYAHSVUVDH-MRXNPFEDSA-N 1 3 344.496 0.712 20 0 ECADHO C[C@H](CC[N@@H+](C)CC1(O)CCOCC1)N(C)CC1(O)CCOCC1 ZINC000444750138 546232721 /nfs/dbraw/zinc/23/27/21/546232721.db2.gz YHQPPYAHSVUVDH-MRXNPFEDSA-N 1 3 344.496 0.712 20 0 ECADHO CCOC(=O)[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000619565044 546342202 /nfs/dbraw/zinc/34/22/02/546342202.db2.gz SLBYWURICDWSOB-CABCVRRESA-N 1 3 342.484 0.853 20 0 ECADHO CN(C)CCN1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1=O ZINC000624609574 546944578 /nfs/dbraw/zinc/94/45/78/546944578.db2.gz ZKUFCELOJJEWSU-HNNXBMFYSA-N 1 3 339.484 0.134 20 0 ECADHO CN(C)CCN1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1=O ZINC000624609574 546944580 /nfs/dbraw/zinc/94/45/80/546944580.db2.gz ZKUFCELOJJEWSU-HNNXBMFYSA-N 1 3 339.484 0.134 20 0 ECADHO CCC(=O)N[C@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000624650346 546950416 /nfs/dbraw/zinc/95/04/16/546950416.db2.gz FBNJVFSPAKNVKY-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CCC(=O)N[C@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000624650346 546950418 /nfs/dbraw/zinc/95/04/18/546950418.db2.gz FBNJVFSPAKNVKY-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](C)[NH3+])cc2)CC1 ZINC000667559124 547530676 /nfs/dbraw/zinc/53/06/76/547530676.db2.gz CJXXIFZABFQOSI-CQSZACIVSA-N 1 3 347.463 0.226 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000667560788 547531403 /nfs/dbraw/zinc/53/14/03/547531403.db2.gz YOWCXDKKJZSXGE-JTQLQIEISA-N 1 3 342.827 0.682 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000668547007 547682506 /nfs/dbraw/zinc/68/25/06/547682506.db2.gz ASFBSPXVCWOOTM-KGLIPLIRSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000668547007 547682512 /nfs/dbraw/zinc/68/25/12/547682512.db2.gz ASFBSPXVCWOOTM-KGLIPLIRSA-N 1 3 336.480 0.576 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCN(CC)C1 ZINC000668584494 547692907 /nfs/dbraw/zinc/69/29/07/547692907.db2.gz DDZNYACMZTTXLM-JYJNAYRXSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCN(CC)C1 ZINC000668584494 547692911 /nfs/dbraw/zinc/69/29/11/547692911.db2.gz DDZNYACMZTTXLM-JYJNAYRXSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCN(CC)C1 ZINC000668584493 547693357 /nfs/dbraw/zinc/69/33/57/547693357.db2.gz DDZNYACMZTTXLM-HRCADAONSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCN(CC)C1 ZINC000668584493 547693362 /nfs/dbraw/zinc/69/33/62/547693362.db2.gz DDZNYACMZTTXLM-HRCADAONSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000668584741 547693609 /nfs/dbraw/zinc/69/36/09/547693609.db2.gz DTBNRHLMGQCSOU-ZNMIVQPWSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000668584741 547693614 /nfs/dbraw/zinc/69/36/14/547693614.db2.gz DTBNRHLMGQCSOU-ZNMIVQPWSA-N 1 3 336.480 0.718 20 0 ECADHO CCN(C(=O)C(=O)NCC1CC[NH+](CC)CC1)[C@@H]1CCN(CC)C1 ZINC000668635313 547707723 /nfs/dbraw/zinc/70/77/23/547707723.db2.gz JLAXXSMWRUIEDC-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000668659775 547715270 /nfs/dbraw/zinc/71/52/70/547715270.db2.gz YADWBQGCARQVTM-UHFFFAOYSA-N 1 3 336.480 0.435 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000668692426 547728108 /nfs/dbraw/zinc/72/81/08/547728108.db2.gz FDKQWSOVOYKVMZ-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000668692426 547728110 /nfs/dbraw/zinc/72/81/10/547728110.db2.gz FDKQWSOVOYKVMZ-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC)[C@@H]1CCN(CC)C1 ZINC000668794962 547751322 /nfs/dbraw/zinc/75/13/22/547751322.db2.gz BSYGORKRULFHMR-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC)[C@@H]1CCN(CC)C1 ZINC000668794962 547751326 /nfs/dbraw/zinc/75/13/26/547751326.db2.gz BSYGORKRULFHMR-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C1CCCC1 ZINC000668830427 547761191 /nfs/dbraw/zinc/76/11/91/547761191.db2.gz BTYDFIPSPVIKEP-CQSZACIVSA-N 1 3 338.496 0.966 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C1CCCC1 ZINC000668830427 547761194 /nfs/dbraw/zinc/76/11/94/547761194.db2.gz BTYDFIPSPVIKEP-CQSZACIVSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000669028157 547815781 /nfs/dbraw/zinc/81/57/81/547815781.db2.gz WDCWYUMFAQZOBN-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCN(CCCCNC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669366067 547884518 /nfs/dbraw/zinc/88/45/18/547884518.db2.gz WURWGIDVKJKEDE-INIZCTEOSA-N 1 3 325.501 0.845 20 0 ECADHO NC1(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)Cc2ccccc2C1 ZINC000669521157 547902218 /nfs/dbraw/zinc/90/22/18/547902218.db2.gz HTMIVJYIUSDQLS-UHFFFAOYSA-N 1 3 342.487 0.815 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000670782928 548047864 /nfs/dbraw/zinc/04/78/64/548047864.db2.gz XXGAKMIVPDSMBO-HNNXBMFYSA-N 1 3 334.464 0.330 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000670997433 548077870 /nfs/dbraw/zinc/07/78/70/548077870.db2.gz HXZIBSDOWWNCKM-JKSUJKDBSA-N 1 3 338.496 0.966 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100921 548090976 /nfs/dbraw/zinc/09/09/76/548090976.db2.gz QREFXKVMWHWINT-BZUAXINKSA-N 1 3 334.464 0.330 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100921 548090979 /nfs/dbraw/zinc/09/09/79/548090979.db2.gz QREFXKVMWHWINT-BZUAXINKSA-N 1 3 334.464 0.330 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100078 548091262 /nfs/dbraw/zinc/09/12/62/548091262.db2.gz JVLOXSLHJHHDLB-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100078 548091266 /nfs/dbraw/zinc/09/12/66/548091266.db2.gz JVLOXSLHJHHDLB-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000672013801 548256170 /nfs/dbraw/zinc/25/61/70/548256170.db2.gz NSEVRAPOYIRKIU-ZIAGYGMSSA-N 1 3 336.480 0.600 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310002 548306358 /nfs/dbraw/zinc/30/63/58/548306358.db2.gz CFFZMATZMVPJNM-INWMFGNUSA-N 1 3 334.464 0.186 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310002 548306362 /nfs/dbraw/zinc/30/63/62/548306362.db2.gz CFFZMATZMVPJNM-INWMFGNUSA-N 1 3 334.464 0.186 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000672516873 548340717 /nfs/dbraw/zinc/34/07/17/548340717.db2.gz KKFKMZXUWWNMFY-CAOSSQGBSA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](CO)CN(C)C)cc2)CC1 ZINC000673520862 548509230 /nfs/dbraw/zinc/50/92/30/548509230.db2.gz IMVZOOXUOJCINN-QGZVFWFLSA-N 1 3 348.491 0.869 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(-c2cccnc2)c1 ZINC000675324539 548725542 /nfs/dbraw/zinc/72/55/42/548725542.db2.gz GOGIDLOXYMEHQR-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CC(C)C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)C(=O)NCCN(C)C ZINC000677521324 548939305 /nfs/dbraw/zinc/93/93/05/548939305.db2.gz JJWBYORDYAHYQZ-GJZGRUSLSA-N 1 3 336.484 0.607 20 0 ECADHO CN1CCC[C@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000677809700 548958461 /nfs/dbraw/zinc/95/84/61/548958461.db2.gz WMQLCTMMNZQNRC-HNNXBMFYSA-N 1 3 335.452 0.915 20 0 ECADHO CC(CC(=O)N[C@H]1CCCN(C)C1)CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000683479025 549492385 /nfs/dbraw/zinc/49/23/85/549492385.db2.gz BXXQFSBYHJSKLG-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CC(CC(=O)N[C@H]1CCCN(C)C1)CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000683479025 549492390 /nfs/dbraw/zinc/49/23/90/549492390.db2.gz BXXQFSBYHJSKLG-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000685520881 549703326 /nfs/dbraw/zinc/70/33/26/549703326.db2.gz AKADZJCTACDJAR-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO C[NH+]1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736849621 578456867 /nfs/dbraw/zinc/45/68/67/578456867.db2.gz USIULNVWDAZVPY-GFCCVEGCSA-N 1 3 331.428 0.036 20 0 ECADHO C[NH+]1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736849621 578456868 /nfs/dbraw/zinc/45/68/68/578456868.db2.gz USIULNVWDAZVPY-GFCCVEGCSA-N 1 3 331.428 0.036 20 0 ECADHO CN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000796813061 578627869 /nfs/dbraw/zinc/62/78/69/578627869.db2.gz VPECBWCQFPLSON-SOUVJXGZSA-N 1 3 331.482 0.111 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NOC[C@H]3CCOC3)CC2)CC1 ZINC000788102164 578827702 /nfs/dbraw/zinc/82/77/02/578827702.db2.gz DAVXLBBPGZUFRA-AWEZNQCLSA-N 1 3 340.468 0.812 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000788574267 578840109 /nfs/dbraw/zinc/84/01/09/578840109.db2.gz RWHKWQYXQDARAG-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000788574267 578840111 /nfs/dbraw/zinc/84/01/11/578840111.db2.gz RWHKWQYXQDARAG-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CCC(NC(=S)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000767691181 579113986 /nfs/dbraw/zinc/11/39/86/579113986.db2.gz SJTCPOUHDYBVPY-JKSUJKDBSA-N 1 3 340.537 0.923 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743399407 579797653 /nfs/dbraw/zinc/79/76/53/579797653.db2.gz WBWYMVFJLSKCLC-CQSZACIVSA-N 1 3 337.468 0.234 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743399407 579797655 /nfs/dbraw/zinc/79/76/55/579797655.db2.gz WBWYMVFJLSKCLC-CQSZACIVSA-N 1 3 337.468 0.234 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cn1 ZINC000747556858 579853121 /nfs/dbraw/zinc/85/31/21/579853121.db2.gz LFGQTNXVDASIAZ-LSDHHAIUSA-N 1 3 336.440 0.429 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000841147512 588979495 /nfs/dbraw/zinc/97/94/95/588979495.db2.gz JFFYNPXZROHQEX-CQSZACIVSA-N 1 3 345.447 0.327 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000841791139 589000960 /nfs/dbraw/zinc/00/09/60/589000960.db2.gz NTUASDNYTBYLOD-YLFCFFPRSA-N 1 3 336.480 0.881 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000842230595 589023060 /nfs/dbraw/zinc/02/30/60/589023060.db2.gz XZGYAOQFNFULNB-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842232565 589023233 /nfs/dbraw/zinc/02/32/33/589023233.db2.gz ZBHMZQUVVJCFHJ-INIZCTEOSA-N 1 3 332.448 0.357 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](F)C(=O)OC ZINC000891273516 586158520 /nfs/dbraw/zinc/15/85/20/586158520.db2.gz HDTPSDKVJHAISE-KBPBESRZSA-N 1 3 346.447 0.555 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](F)C(=O)OC ZINC000891273516 586158523 /nfs/dbraw/zinc/15/85/23/586158523.db2.gz HDTPSDKVJHAISE-KBPBESRZSA-N 1 3 346.447 0.555 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891514447 586173155 /nfs/dbraw/zinc/17/31/55/586173155.db2.gz RRJQSPLOOXYRGQ-YNEHKIRRSA-N 1 3 332.395 0.394 20 0 ECADHO COCCC1(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[NH2+]CC1 ZINC000891514450 586173221 /nfs/dbraw/zinc/17/32/21/586173221.db2.gz RUVBTBOKEIGQSX-CABCVRRESA-N 1 3 340.468 0.308 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000895665577 586197083 /nfs/dbraw/zinc/19/70/83/586197083.db2.gz DHOCPXKKEYRQDP-HRCADAONSA-N 1 3 325.501 0.604 20 0 ECADHO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000897021961 586281707 /nfs/dbraw/zinc/28/17/07/586281707.db2.gz KLEFOIOJYDWPIU-LSDHHAIUSA-N 1 3 336.480 0.624 20 0 ECADHO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000897021961 586281708 /nfs/dbraw/zinc/28/17/08/586281708.db2.gz KLEFOIOJYDWPIU-LSDHHAIUSA-N 1 3 336.480 0.624 20 0 ECADHO O=C(NCCNc1cc[nH+]cc1)NC[C@H]1Cc2ccccc2CN1 ZINC000892807415 586292840 /nfs/dbraw/zinc/29/28/40/586292840.db2.gz BXDYONZIABDNTM-QGZVFWFLSA-N 1 3 325.416 0.929 20 0 ECADHO C[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)CN1CCN(C)CC1 ZINC000893237597 586318584 /nfs/dbraw/zinc/31/85/84/586318584.db2.gz PCVIISRKJCWFHE-XYJFISCASA-N 1 3 337.512 0.463 20 0 ECADHO C[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)CN1CCN(C)CC1 ZINC000893237597 586318586 /nfs/dbraw/zinc/31/85/86/586318586.db2.gz PCVIISRKJCWFHE-XYJFISCASA-N 1 3 337.512 0.463 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000897491496 586333526 /nfs/dbraw/zinc/33/35/26/586333526.db2.gz HIRUBNLNRJDCEO-MRXNPFEDSA-N 1 3 325.501 0.750 20 0 ECADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000897491496 586333528 /nfs/dbraw/zinc/33/35/28/586333528.db2.gz HIRUBNLNRJDCEO-MRXNPFEDSA-N 1 3 325.501 0.750 20 0 ECADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000897561649 586345230 /nfs/dbraw/zinc/34/52/30/586345230.db2.gz AGTBCXOTAPKKPZ-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO C[N@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000897561649 586345233 /nfs/dbraw/zinc/34/52/33/586345233.db2.gz AGTBCXOTAPKKPZ-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO COC(=O)[C@@H]1[C@@H](CN(C)CCN(C)C2CC[NH+](C)CC2)C1(F)F ZINC000894766796 586410612 /nfs/dbraw/zinc/41/06/12/586410612.db2.gz SDGOOBCQTOZTPT-KGLIPLIRSA-N 1 3 333.423 0.999 20 0 ECADHO Cc1nnc(CNC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000898361027 586417392 /nfs/dbraw/zinc/41/73/92/586417392.db2.gz RXFCKRMRINCVEQ-CQSZACIVSA-N 1 3 335.456 0.423 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900561970 586641698 /nfs/dbraw/zinc/64/16/98/586641698.db2.gz TYSHHJXBWLCWTG-IAGOWNOFSA-N 1 3 348.491 0.770 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900561970 586641700 /nfs/dbraw/zinc/64/17/00/586641700.db2.gz TYSHHJXBWLCWTG-IAGOWNOFSA-N 1 3 348.491 0.770 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000900726198 586659706 /nfs/dbraw/zinc/65/97/06/586659706.db2.gz UBNDCSKEBGVHCB-FUHWJXTLSA-N 1 3 338.496 0.072 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000900726198 586659708 /nfs/dbraw/zinc/65/97/08/586659708.db2.gz UBNDCSKEBGVHCB-FUHWJXTLSA-N 1 3 338.496 0.072 20 0 ECADHO CN(C)CCn1nccc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000900759930 586660034 /nfs/dbraw/zinc/66/00/34/586660034.db2.gz OEYXSMVTGNJLIR-HNNXBMFYSA-N 1 3 349.479 0.675 20 0 ECADHO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)CC1 ZINC000900800765 586668446 /nfs/dbraw/zinc/66/84/46/586668446.db2.gz AUJJYVMGZOMWPT-IRXDYDNUSA-N 1 3 339.528 0.153 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000900980995 586680377 /nfs/dbraw/zinc/68/03/77/586680377.db2.gz PVFPOOXUKVUFEJ-JFIYKMOQSA-N 1 3 341.496 0.839 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000900980995 586680378 /nfs/dbraw/zinc/68/03/78/586680378.db2.gz PVFPOOXUKVUFEJ-JFIYKMOQSA-N 1 3 341.496 0.839 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccnn2CCN(C)C)CC1 ZINC000901057041 586688277 /nfs/dbraw/zinc/68/82/77/586688277.db2.gz DSVDUUZHCIRQKN-UHFFFAOYSA-N 1 3 337.468 0.410 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000902437420 586738333 /nfs/dbraw/zinc/73/83/33/586738333.db2.gz HNPOLQBKJWLKKN-WOJBJXKFSA-N 1 3 344.503 0.997 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)C2 ZINC000903490853 586778817 /nfs/dbraw/zinc/77/88/17/586778817.db2.gz KGOYIPBKIVASPT-IBTNMTNLSA-N 1 3 337.464 0.988 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000903492643 586779737 /nfs/dbraw/zinc/77/97/37/586779737.db2.gz IELXENQOPHUHBI-OXIWPEFWSA-N 1 3 349.353 0.362 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000903497207 586780127 /nfs/dbraw/zinc/78/01/27/586780127.db2.gz QDSKFASNYWWESK-ZACQAIPSSA-N 1 3 340.512 0.376 20 0 ECADHO CC1(C)C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1N ZINC000903558502 586789410 /nfs/dbraw/zinc/78/94/10/586789410.db2.gz MUDPCKMVXMDCJT-OAHLLOKOSA-N 1 3 331.464 0.789 20 0 ECADHO CC1(C)C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1N ZINC000903558502 586789412 /nfs/dbraw/zinc/78/94/12/586789412.db2.gz MUDPCKMVXMDCJT-OAHLLOKOSA-N 1 3 331.464 0.789 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[C@@H]1N ZINC000903747348 586804547 /nfs/dbraw/zinc/80/45/47/586804547.db2.gz MOXIYRXULRXGEW-CABCVRRESA-N 1 3 336.480 0.659 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@@H]1N ZINC000903758660 586812301 /nfs/dbraw/zinc/81/23/01/586812301.db2.gz ISRAXPXWKOFANV-BMFZPTHFSA-N 1 3 348.491 0.657 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@@H]1N ZINC000903758660 586812304 /nfs/dbraw/zinc/81/23/04/586812304.db2.gz ISRAXPXWKOFANV-BMFZPTHFSA-N 1 3 348.491 0.657 20 0 ECADHO NS(=O)(=O)c1ccc(OCCN2C[C@@H]3C[C@H]2C[C@@H]([NH3+])C3)cc1 ZINC000903847541 586820124 /nfs/dbraw/zinc/82/01/24/586820124.db2.gz KLIIWHAJVMCPPT-AVGNSLFASA-N 1 3 325.434 0.524 20 0 ECADHO NC(=O)c1ccc(N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC000903883240 586823365 /nfs/dbraw/zinc/82/33/65/586823365.db2.gz GFRNCASGXHPABJ-VHRNVKJDSA-N 1 3 329.448 0.833 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H](Cn3ccnn3)C2)cnn1C ZINC000903898661 586824180 /nfs/dbraw/zinc/82/41/80/586824180.db2.gz MTIMBBMIRVHMFM-HZPDHXFCSA-N 1 3 331.468 0.850 20 0 ECADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cnn1C ZINC000903898661 586824182 /nfs/dbraw/zinc/82/41/82/586824182.db2.gz MTIMBBMIRVHMFM-HZPDHXFCSA-N 1 3 331.468 0.850 20 0 ECADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cnn1C ZINC000903898661 586824183 /nfs/dbraw/zinc/82/41/83/586824183.db2.gz MTIMBBMIRVHMFM-HZPDHXFCSA-N 1 3 331.468 0.850 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCN(C2CCOCC2)CC1 ZINC000903897490 586824282 /nfs/dbraw/zinc/82/42/82/586824282.db2.gz ZQEGCLBHJCZQLP-INIZCTEOSA-N 1 3 334.468 0.499 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@H]1CCN(c2ccccn2)C1 ZINC000903923133 586826382 /nfs/dbraw/zinc/82/63/82/586826382.db2.gz MCUQUNJEOJSEJJ-GJZGRUSLSA-N 1 3 327.436 0.966 20 0 ECADHO [NH3+][C@@H](CC(F)F)CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000903933862 586826712 /nfs/dbraw/zinc/82/67/12/586826712.db2.gz XDMZMBNQDPGZEX-STQMWFEESA-N 1 3 342.438 0.981 20 0 ECADHO [NH3+][C@H](CC(F)F)CN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000903933859 586827116 /nfs/dbraw/zinc/82/71/16/586827116.db2.gz XDMZMBNQDPGZEX-CHWSQXEVSA-N 1 3 342.438 0.981 20 0 ECADHO [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CCc2c(F)cc([O-])cc2F)C1 ZINC000904433125 586837545 /nfs/dbraw/zinc/83/75/45/586837545.db2.gz KPQRIFURRBLTFB-NSHDSACASA-N 1 3 327.375 1.000 20 0 ECADHO NC[C@@]12CC[C@H]1CCN2C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000904999290 586857201 /nfs/dbraw/zinc/85/72/01/586857201.db2.gz GIUTUXCJXOEDNH-KXBFYZLASA-N 1 3 348.491 0.803 20 0 ECADHO NC[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000905004891 586857962 /nfs/dbraw/zinc/85/79/62/586857962.db2.gz CAIHGDXKHNDGJG-HDMKZQKVSA-N 1 3 334.464 0.271 20 0 ECADHO NC[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000905004892 586858058 /nfs/dbraw/zinc/85/80/58/586858058.db2.gz CAIHGDXKHNDGJG-IIDMSEBBSA-N 1 3 334.464 0.271 20 0 ECADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32CN)CC1 ZINC000905010270 586860696 /nfs/dbraw/zinc/86/06/96/586860696.db2.gz VLSRIAFSGLIJMG-BEFAXECRSA-N 1 3 348.491 0.803 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000905358665 586885985 /nfs/dbraw/zinc/88/59/85/586885985.db2.gz QSLGZSHXAJZRAR-CYBMUJFWSA-N 1 3 343.497 0.480 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905926340 586923093 /nfs/dbraw/zinc/92/30/93/586923093.db2.gz GHEOOMPFIDUTLM-OAHLLOKOSA-N 1 3 327.469 0.042 20 0 ECADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000906091971 586932059 /nfs/dbraw/zinc/93/20/59/586932059.db2.gz RGFHDDITLYZJCG-RBSFLKMASA-N 1 3 337.468 0.107 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2CN(C)CCN(C)C2)C1 ZINC000906881824 586989830 /nfs/dbraw/zinc/98/98/30/586989830.db2.gz YMVWUBMGOXMWPT-QGZVFWFLSA-N 1 3 340.512 0.439 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000907085326 587014615 /nfs/dbraw/zinc/01/46/15/587014615.db2.gz SNJQKDHPOQUMEG-CRAIPNDOSA-N 1 3 334.508 0.955 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000907085326 587014619 /nfs/dbraw/zinc/01/46/19/587014619.db2.gz SNJQKDHPOQUMEG-CRAIPNDOSA-N 1 3 334.508 0.955 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000817766641 587383218 /nfs/dbraw/zinc/38/32/18/587383218.db2.gz HTRJBHYCLGYSTD-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000817766641 587383220 /nfs/dbraw/zinc/38/32/20/587383220.db2.gz HTRJBHYCLGYSTD-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO O=C(C[C@H]1CSCC[NH2+]1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000844169597 589097810 /nfs/dbraw/zinc/09/78/10/589097810.db2.gz ANGDTFVUHVKYBE-LSDHHAIUSA-N 1 3 327.494 0.841 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000817927024 587392196 /nfs/dbraw/zinc/39/21/96/587392196.db2.gz XQNLKFFGICVPGX-KRWDZBQOSA-N 1 3 346.475 0.427 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)c1ccco1 ZINC000820069491 587506884 /nfs/dbraw/zinc/50/68/84/587506884.db2.gz YCDURNRYPYVUCE-UONOGXRCSA-N 1 3 326.441 0.884 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)c1ccco1 ZINC000820069491 587506885 /nfs/dbraw/zinc/50/68/85/587506885.db2.gz YCDURNRYPYVUCE-UONOGXRCSA-N 1 3 326.441 0.884 20 0 ECADHO C[NH+](C)CCCN(CCC[NH+](C)C)c1ncccc1-c1nnn[n-]1 ZINC000821584589 587602653 /nfs/dbraw/zinc/60/26/53/587602653.db2.gz KCSCTLYHESYHCF-UHFFFAOYSA-N 1 3 332.456 0.972 20 0 ECADHO C[NH+](C)CCCN(CCC[NH+](C)C)c1ncccc1-c1nn[n-]n1 ZINC000821584589 587602655 /nfs/dbraw/zinc/60/26/55/587602655.db2.gz KCSCTLYHESYHCF-UHFFFAOYSA-N 1 3 332.456 0.972 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)CC[C@@H]21 ZINC000867441854 587878566 /nfs/dbraw/zinc/87/85/66/587878566.db2.gz KNCCJWXMXFRTIO-IKGGRYGDSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)CC[C@@H]21 ZINC000867441854 587878568 /nfs/dbraw/zinc/87/85/68/587878568.db2.gz KNCCJWXMXFRTIO-IKGGRYGDSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1 ZINC000825566988 587950086 /nfs/dbraw/zinc/95/00/86/587950086.db2.gz RUEVQFTUOJXTHJ-CQSZACIVSA-N 1 3 339.484 0.621 20 0 ECADHO CC[N@H+](CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C(C)C ZINC000825929712 587974281 /nfs/dbraw/zinc/97/42/81/587974281.db2.gz LIMCIWRKQMZUOL-AWEZNQCLSA-N 1 3 327.473 0.478 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C(C)C ZINC000825929712 587974283 /nfs/dbraw/zinc/97/42/83/587974283.db2.gz LIMCIWRKQMZUOL-AWEZNQCLSA-N 1 3 327.473 0.478 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000827319298 588112191 /nfs/dbraw/zinc/11/21/91/588112191.db2.gz BIYDBPSUIROYKD-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000827319298 588112192 /nfs/dbraw/zinc/11/21/92/588112192.db2.gz BIYDBPSUIROYKD-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO NS(=O)(=O)c1ccc(N2CCN(CCCCCC[NH3+])CC2)cc1 ZINC000846222202 589191679 /nfs/dbraw/zinc/19/16/79/589191679.db2.gz TYWKHTLEYVRUBD-UHFFFAOYSA-N 1 3 340.493 0.975 20 0 ECADHO [NH3+]CCCCCCN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000846221531 589191687 /nfs/dbraw/zinc/19/16/87/589191687.db2.gz ZWWDBVFUUSDGDO-OAHLLOKOSA-N 1 3 333.498 0.632 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852872579 589520530 /nfs/dbraw/zinc/52/05/30/589520530.db2.gz IGIVDLNURSYCPK-MRXNPFEDSA-N 1 3 345.447 0.154 20 0 ECADHO Cn1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1=O ZINC000863550267 590022559 /nfs/dbraw/zinc/02/25/59/590022559.db2.gz SBSPXXWVWZREGN-CABCVRRESA-N 1 3 332.404 0.142 20 0 ECADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)nn1 ZINC000872144866 590097869 /nfs/dbraw/zinc/09/78/69/590097869.db2.gz KRVSUVOCVLPCAM-CVEARBPZSA-N 1 3 335.452 0.959 20 0 ECADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)nn1 ZINC000872144866 590097871 /nfs/dbraw/zinc/09/78/71/590097871.db2.gz KRVSUVOCVLPCAM-CVEARBPZSA-N 1 3 335.452 0.959 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H]1CC2(CO1)CCOCC2 ZINC000872142885 590097969 /nfs/dbraw/zinc/09/79/69/590097969.db2.gz DKKKUBIAACVEJW-CVEARBPZSA-N 1 3 339.480 0.892 20 0 ECADHO COC(=O)C(C)(C)CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257648 590109020 /nfs/dbraw/zinc/10/90/20/590109020.db2.gz UUSFJTFUVICJBU-XQQFMLRXSA-N 1 3 325.409 0.443 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865243837 590135248 /nfs/dbraw/zinc/13/52/48/590135248.db2.gz SUIZOJGYEBUQFK-UONOGXRCSA-N 1 3 328.526 0.780 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865243837 590135250 /nfs/dbraw/zinc/13/52/50/590135250.db2.gz SUIZOJGYEBUQFK-UONOGXRCSA-N 1 3 328.526 0.780 20 0 ECADHO NS(=O)(=O)C[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204865 590186331 /nfs/dbraw/zinc/18/63/31/590186331.db2.gz KBWUKZNKRPGOMQ-LLVKDONJSA-N 1 3 329.491 0.894 20 0 ECADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000873262048 590187546 /nfs/dbraw/zinc/18/75/46/590187546.db2.gz ISCQLGQUWQKGTB-DAXOMENPSA-N 1 3 341.477 0.479 20 0 ECADHO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1 ZINC000873262048 590187547 /nfs/dbraw/zinc/18/75/47/590187547.db2.gz ISCQLGQUWQKGTB-DAXOMENPSA-N 1 3 341.477 0.479 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875218759 590283306 /nfs/dbraw/zinc/28/33/06/590283306.db2.gz FLNCJXKZUQRLNK-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CCn1ncc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000875714403 590324002 /nfs/dbraw/zinc/32/40/02/590324002.db2.gz KBYKBZFBSAEGKG-ZDUSSCGKSA-N 1 3 325.461 0.369 20 0 ECADHO CCn1ncc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000875714403 590324008 /nfs/dbraw/zinc/32/40/08/590324008.db2.gz KBYKBZFBSAEGKG-ZDUSSCGKSA-N 1 3 325.461 0.369 20 0 ECADHO CN1CC[NH+](C2CCN(C[C@H](O)C[C@@](C)(O)C3CC3)CC2)CC1 ZINC000879594192 590327279 /nfs/dbraw/zinc/32/72/79/590327279.db2.gz AQZIRXMEMKEFHM-QZTJIDSGSA-N 1 3 325.497 0.610 20 0 ECADHO C[C@H]1CN(CCC(=O)N2CCN(C)CC2)CCN1c1cc[nH+]cc1 ZINC000880259992 590380123 /nfs/dbraw/zinc/38/01/23/590380123.db2.gz LYLNGHUFSMYYKS-INIZCTEOSA-N 1 3 331.464 0.756 20 0 ECADHO Cn1ncc(CN)c1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000876719195 590402860 /nfs/dbraw/zinc/40/28/60/590402860.db2.gz FRCOASIUKNBWFQ-UHFFFAOYSA-N 1 3 331.420 0.749 20 0 ECADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752716 590409427 /nfs/dbraw/zinc/40/94/27/590409427.db2.gz XFEPLAMEMYYGTQ-UUJPXIBMSA-N 1 3 334.464 0.165 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841432 590418318 /nfs/dbraw/zinc/41/83/18/590418318.db2.gz RNANXCTXIAZOCC-KRWDZBQOSA-N 1 3 327.469 0.573 20 0 ECADHO C[S@](=O)C1(C(=O)NC[C@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000876846747 590418828 /nfs/dbraw/zinc/41/88/28/590418828.db2.gz SMCZLYBAHHMCTC-CMJOXMDJSA-N 1 3 335.473 0.490 20 0 ECADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000876880172 590421574 /nfs/dbraw/zinc/42/15/74/590421574.db2.gz FYRUXXUUENUPFH-IJFMQLDHSA-N 1 3 337.464 0.789 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876880828 590422229 /nfs/dbraw/zinc/42/22/29/590422229.db2.gz NTKMUCHXQNWUSR-KGLIPLIRSA-N 1 3 325.453 0.751 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)c2)nn1 ZINC000877206923 590445231 /nfs/dbraw/zinc/44/52/31/590445231.db2.gz OWYPZLFJMFHXOU-NVXWUHKLSA-N 1 3 326.404 0.342 20 0 ECADHO CN(CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)CC(C)(C)C ZINC000877260117 590451171 /nfs/dbraw/zinc/45/11/71/590451171.db2.gz RUEVKPHZZQNCPV-MCIONIFRSA-N 1 3 338.452 0.358 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC000883643649 590639298 /nfs/dbraw/zinc/63/92/98/590639298.db2.gz QPGIANMFQQBEGN-LSDHHAIUSA-N 1 3 345.447 0.329 20 0 ECADHO CN(C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1(C[NH3+])CCCCC1 ZINC000883653051 590642730 /nfs/dbraw/zinc/64/27/30/590642730.db2.gz KNJNSLVGOGGDJE-OAHLLOKOSA-N 1 3 336.480 0.803 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966590 590656855 /nfs/dbraw/zinc/65/68/55/590656855.db2.gz OAVAHSQVYCIYJG-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966433 590656954 /nfs/dbraw/zinc/65/69/54/590656954.db2.gz KTNOTRALAFULID-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884973742 590659433 /nfs/dbraw/zinc/65/94/33/590659433.db2.gz DOHOKZZFKGJZQE-LSDHHAIUSA-N 1 3 338.496 0.681 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000885201278 590694624 /nfs/dbraw/zinc/69/46/24/590694624.db2.gz UILJKZFACNVFMW-MRXNPFEDSA-N 1 3 346.475 0.963 20 0 ECADHO C[NH2+]CCOc1ccccc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000884208000 590775560 /nfs/dbraw/zinc/77/55/60/590775560.db2.gz MSJGRHUZVYGDSV-CABCVRRESA-N 1 3 333.432 0.878 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CCC(C)CC1 ZINC000884503024 590845321 /nfs/dbraw/zinc/84/53/21/590845321.db2.gz ZHBLJNWBZILPJD-PMPSAXMXSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CCC1 ZINC000884528885 590851276 /nfs/dbraw/zinc/85/12/76/590851276.db2.gz AHLXXYWUDJIQHT-INIZCTEOSA-N 1 3 346.475 0.663 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000884529207 590851349 /nfs/dbraw/zinc/85/13/49/590851349.db2.gz JJWMJXQPIPZLCF-QGZVFWFLSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000884577449 590862252 /nfs/dbraw/zinc/86/22/52/590862252.db2.gz FMHDKCDWRXVWOO-DJIMGWMZSA-N 1 3 344.459 0.888 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884659110 590885904 /nfs/dbraw/zinc/88/59/04/590885904.db2.gz IMBYSDZUXDVCRF-SFHVURJKSA-N 1 3 338.496 0.827 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884699514 590901004 /nfs/dbraw/zinc/90/10/04/590901004.db2.gz DMOIKRHXJVLCSQ-LSDHHAIUSA-N 1 3 347.463 0.608 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884700078 590901174 /nfs/dbraw/zinc/90/11/74/590901174.db2.gz MBJTZBOEJXBZSE-CABCVRRESA-N 1 3 347.463 0.608 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000884715830 590906222 /nfs/dbraw/zinc/90/62/22/590906222.db2.gz FYECGISTDYGTFU-WBVHZDCISA-N 1 3 342.443 0.459 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000884715830 590906223 /nfs/dbraw/zinc/90/62/23/590906223.db2.gz FYECGISTDYGTFU-WBVHZDCISA-N 1 3 342.443 0.459 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000884715927 590906457 /nfs/dbraw/zinc/90/64/57/590906457.db2.gz IJPQACSPIIYDGF-GJZGRUSLSA-N 1 3 345.447 0.377 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000884724592 590911632 /nfs/dbraw/zinc/91/16/32/590911632.db2.gz XUTRJSLBTZSWNO-ILXRZTDVSA-N 1 3 345.447 0.362 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000884724594 590911895 /nfs/dbraw/zinc/91/18/95/590911895.db2.gz XUTRJSLBTZSWNO-QLFBSQMISA-N 1 3 345.447 0.362 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884729393 590913088 /nfs/dbraw/zinc/91/30/88/590913088.db2.gz OBIMSSFWCTVUGH-MJBXVCDLSA-N 1 3 333.436 0.361 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCCN3CCCC[C@@H]13)C2 ZINC000884776194 590919328 /nfs/dbraw/zinc/91/93/28/590919328.db2.gz OUASUTSIHCEGEK-YRBFXIGRSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884785651 590922706 /nfs/dbraw/zinc/92/27/06/590922706.db2.gz BRLUMPVYFCAIHW-HRCADAONSA-N 1 3 336.480 0.576 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884834109 590931545 /nfs/dbraw/zinc/93/15/45/590931545.db2.gz SXQFWOXUPPIHAU-RDJZCZTQSA-N 1 3 346.475 0.678 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884834109 590931548 /nfs/dbraw/zinc/93/15/48/590931548.db2.gz SXQFWOXUPPIHAU-RDJZCZTQSA-N 1 3 346.475 0.678 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000887639864 590985565 /nfs/dbraw/zinc/98/55/65/590985565.db2.gz FIWQOQKKLGTGHQ-OAHLLOKOSA-N 1 3 339.484 0.624 20 0 ECADHO CN(CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1cc[nH+]cc1 ZINC000889760206 591085486 /nfs/dbraw/zinc/08/54/86/591085486.db2.gz CKSMGNQDNRHMFH-SJORKVTESA-N 1 3 332.448 0.966 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000890278626 591145937 /nfs/dbraw/zinc/14/59/37/591145937.db2.gz ZIOFPFBNPWUPDF-HNNXBMFYSA-N 1 3 339.484 0.132 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000929990688 611376679 /nfs/dbraw/zinc/37/66/79/611376679.db2.gz BLNGYHZXFWCVNK-OAHLLOKOSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2CC1)N(C)C ZINC000946642713 611383697 /nfs/dbraw/zinc/38/36/97/611383697.db2.gz QDSNLQDRVUZLJW-QKPAOTATSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1)N(C)C ZINC000946642713 611383699 /nfs/dbraw/zinc/38/36/99/611383699.db2.gz QDSNLQDRVUZLJW-QKPAOTATSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000930202230 611399989 /nfs/dbraw/zinc/39/99/89/611399989.db2.gz LEDGCRMGJFAMFH-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)C3(O)CCC3)CC2)CC1 ZINC000930130723 611394004 /nfs/dbraw/zinc/39/40/04/611394004.db2.gz TZAYQGCKHFBAMH-KRWDZBQOSA-N 1 3 325.497 0.753 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(Cc2ccc(OCCC[NH+](C)C)cc2)C1=O ZINC000924587913 611416065 /nfs/dbraw/zinc/41/60/65/611416065.db2.gz QKPIPZXMRFYHFU-MRXNPFEDSA-N 1 3 348.447 0.999 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924697205 611423664 /nfs/dbraw/zinc/42/36/64/611423664.db2.gz PZDPQFUERRPRBG-VNQPRFMTSA-N 1 3 330.432 0.989 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924697205 611423668 /nfs/dbraw/zinc/42/36/68/611423668.db2.gz PZDPQFUERRPRBG-VNQPRFMTSA-N 1 3 330.432 0.989 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924697202 611424106 /nfs/dbraw/zinc/42/41/06/611424106.db2.gz PZDPQFUERRPRBG-BMFZPTHFSA-N 1 3 330.432 0.989 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924697202 611424108 /nfs/dbraw/zinc/42/41/08/611424108.db2.gz PZDPQFUERRPRBG-BMFZPTHFSA-N 1 3 330.432 0.989 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(CC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000924717632 611424805 /nfs/dbraw/zinc/42/48/05/611424805.db2.gz WDBKFWMWNJFXPW-HNNXBMFYSA-N 1 3 331.420 0.780 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946735517 611442588 /nfs/dbraw/zinc/44/25/88/611442588.db2.gz MXGAROKZSHYXFG-YHUYYLMFSA-N 1 3 336.480 0.372 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]3CC2)CC[N@H+]1C ZINC000946735517 611442589 /nfs/dbraw/zinc/44/25/89/611442589.db2.gz MXGAROKZSHYXFG-YHUYYLMFSA-N 1 3 336.480 0.372 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000946793523 611481897 /nfs/dbraw/zinc/48/18/97/611481897.db2.gz GFFAFSQYGHXSJM-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000946793523 611481899 /nfs/dbraw/zinc/48/18/99/611481899.db2.gz GFFAFSQYGHXSJM-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCN[C@@H]2C)N(c2cc(N(C)C)ncn2)C1 ZINC000925730864 611495992 /nfs/dbraw/zinc/49/59/92/611495992.db2.gz RDWKPOWMSKNURI-UGUYLWEFSA-N 1 3 348.495 0.866 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926293748 611532185 /nfs/dbraw/zinc/53/21/85/611532185.db2.gz PETMQXGOMHKKJS-SFHVURJKSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000931538332 611548250 /nfs/dbraw/zinc/54/82/50/611548250.db2.gz HWTIWSUROBMYPZ-HZPDHXFCSA-N 1 3 336.480 0.800 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000931538332 611548252 /nfs/dbraw/zinc/54/82/52/611548252.db2.gz HWTIWSUROBMYPZ-HZPDHXFCSA-N 1 3 336.480 0.800 20 0 ECADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000926867809 611574235 /nfs/dbraw/zinc/57/42/35/611574235.db2.gz UDXNLMXFGPIRKZ-MHYDHLEJSA-N 1 3 336.524 0.713 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CCN3C3CCOCC3)C2)C1 ZINC000927635654 611622970 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348.447 0.891 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCOC2(CC[NH+](CCCO)CC2)C1 ZINC000949189351 608660578 /nfs/dbraw/zinc/66/05/78/608660578.db2.gz QWJDCUCFVUXNRD-MRXNPFEDSA-N 1 3 339.480 0.547 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC[NH2+]C(C)(C)C ZINC000931516277 608724447 /nfs/dbraw/zinc/72/44/47/608724447.db2.gz RCNUDUHRQLEACM-CQSZACIVSA-N 1 3 326.485 0.824 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000909396554 608834458 /nfs/dbraw/zinc/83/44/58/608834458.db2.gz HBZNFRGYWKWTNF-SFHVURJKSA-N 1 3 340.512 0.366 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000909396554 608834459 /nfs/dbraw/zinc/83/44/59/608834459.db2.gz HBZNFRGYWKWTNF-SFHVURJKSA-N 1 3 340.512 0.366 20 0 ECADHO CCO[C@@H](CNC(=O)NC[C@H]1CCCCN1CCO)C[NH+](C)C ZINC000926847421 609060949 /nfs/dbraw/zinc/06/09/49/609060949.db2.gz ULLWTSFRQXEEFX-CABCVRRESA-N 1 3 330.473 0.099 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCn1cncn1 ZINC000947684359 609125056 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20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000910964009 609783741 /nfs/dbraw/zinc/78/37/41/609783741.db2.gz WDUJHIFKWQJLLS-IXDOHACOSA-N 1 3 346.475 0.519 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911015971 609794841 /nfs/dbraw/zinc/79/48/41/609794841.db2.gz UMLZWAFKSQQGLZ-KBRIMQKVSA-N 1 3 344.459 0.575 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911015971 609794843 /nfs/dbraw/zinc/79/48/43/609794843.db2.gz UMLZWAFKSQQGLZ-KBRIMQKVSA-N 1 3 344.459 0.575 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911054594 609795594 /nfs/dbraw/zinc/79/55/94/609795594.db2.gz IWQBJMKWUPJOPW-MAUKXSAKSA-N 1 3 336.480 0.722 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000911222161 609829011 /nfs/dbraw/zinc/82/90/11/609829011.db2.gz BORRPEWIOZCPET-USXIJHARSA-N 1 3 342.443 0.328 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000911222161 609829012 /nfs/dbraw/zinc/82/90/12/609829012.db2.gz BORRPEWIOZCPET-USXIJHARSA-N 1 3 342.443 0.328 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911256809 609837255 /nfs/dbraw/zinc/83/72/55/609837255.db2.gz BNTIQNWMTRNSJA-SUNYJGFJSA-N 1 3 336.480 0.563 20 0 ECADHO CN1CCN(c2ccc(CNC(=O)NC[C@H]3CC[N@@H+]3C)cn2)CC1 ZINC000913983719 609840369 /nfs/dbraw/zinc/84/03/69/609840369.db2.gz VHOIMFFPJWWEFK-OAHLLOKOSA-N 1 3 332.452 0.337 20 0 ECADHO CN1CCN(c2ccc(CNC(=O)NC[C@H]3CC[N@H+]3C)cn2)CC1 ZINC000913983719 609840370 /nfs/dbraw/zinc/84/03/70/609840370.db2.gz VHOIMFFPJWWEFK-OAHLLOKOSA-N 1 3 332.452 0.337 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000911366840 609862653 /nfs/dbraw/zinc/86/26/53/609862653.db2.gz HFGLWNQFTPAIRN-LBPRGKRZSA-N 1 3 346.422 0.196 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517307 609889809 /nfs/dbraw/zinc/88/98/09/609889809.db2.gz RXQYSIZSOZSHPK-IAOVAPTHSA-N 1 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ZINC000969834287 732421852 /nfs/dbraw/zinc/42/18/52/732421852.db2.gz WPLVGEKSFCAZEQ-RHSMWYFYSA-N 1 3 339.480 0.449 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C1CN(CCCO)C1 ZINC000969834287 732421855 /nfs/dbraw/zinc/42/18/55/732421855.db2.gz WPLVGEKSFCAZEQ-RHSMWYFYSA-N 1 3 339.480 0.449 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCCCC2)C1 ZINC000969949667 732551675 /nfs/dbraw/zinc/55/16/75/732551675.db2.gz WWPPIWIGKPEJAW-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCCCC2)C1 ZINC000969949667 732551680 /nfs/dbraw/zinc/55/16/80/732551680.db2.gz WWPPIWIGKPEJAW-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNCc2cnnn2C)C1 ZINC001025085303 738623107 /nfs/dbraw/zinc/62/31/07/738623107.db2.gz OKSMCHBVJRUHLN-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNCc2cnnn2C)C1 ZINC001025085303 738623110 /nfs/dbraw/zinc/62/31/10/738623110.db2.gz OKSMCHBVJRUHLN-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1)N(C)C ZINC000969985931 732588949 /nfs/dbraw/zinc/58/89/49/732588949.db2.gz OSORWNNCLRMUDX-ZNMIVQPWSA-N 1 3 345.509 0.342 20 0 ECADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426499 733001144 /nfs/dbraw/zinc/00/11/44/733001144.db2.gz LLZQCULJVXWKRF-XUJLQICISA-N 1 3 326.485 0.583 20 0 ECADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC001167232684 733077292 /nfs/dbraw/zinc/07/72/92/733077292.db2.gz MGQRRHRTIDBDAK-GJZGRUSLSA-N 1 3 336.480 0.483 20 0 ECADHO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232882 733077673 /nfs/dbraw/zinc/07/76/73/733077673.db2.gz SUSURFCZTMTBKU-GJZGRUSLSA-N 1 3 327.469 0.212 20 0 ECADHO C[C@H](NC(=O)[C@H]1CN2CC3CC2(C3)CO1)C1C[NH+](CCCF)C1 ZINC000970190051 733154498 /nfs/dbraw/zinc/15/44/98/733154498.db2.gz KRWCIBMQPHGXHD-KKVZTGDRSA-N 1 3 325.428 0.646 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)cc1 ZINC000970270498 733284707 /nfs/dbraw/zinc/28/47/07/733284707.db2.gz OXHLODWCUUABIQ-QGZVFWFLSA-N 1 3 344.459 0.785 20 0 ECADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C[C@@H]2CCc3ncnn32)C1 ZINC000970372086 733428327 /nfs/dbraw/zinc/42/83/27/733428327.db2.gz LPNDZEBGBVDVQI-BBRMVZONSA-N 1 3 346.479 0.544 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)CC1 ZINC000970384275 733452815 /nfs/dbraw/zinc/45/28/15/733452815.db2.gz ASFAXCUQOXWUQM-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CCCN2CCCC2=O)C1 ZINC000970879090 734037402 /nfs/dbraw/zinc/03/74/02/734037402.db2.gz RMZCOFPROCXMHN-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CCCN2CCCC2=O)C1 ZINC000970879090 734037405 /nfs/dbraw/zinc/03/74/05/734037405.db2.gz RMZCOFPROCXMHN-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211257848 734227871 /nfs/dbraw/zinc/22/78/71/734227871.db2.gz VNNKUJFKEXASCS-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCN2CCNC2=O)CC1 ZINC001167480675 734825713 /nfs/dbraw/zinc/82/57/13/734825713.db2.gz PWOOGZPGZYXBOW-UHFFFAOYSA-N 1 3 339.484 0.230 20 0 ECADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167626783 736147812 /nfs/dbraw/zinc/14/78/12/736147812.db2.gz HGNJCHLSWZYGFF-OAHLLOKOSA-N 1 3 326.485 0.870 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](CCO)CCC[C@H](C)O)CC1 ZINC001098572541 736278903 /nfs/dbraw/zinc/27/89/03/736278903.db2.gz NNHPUQFYLOVQPS-INIZCTEOSA-N 1 3 343.512 0.773 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC([N@H+](CCO)CCC[C@H](C)O)CC1 ZINC001098572541 736278907 /nfs/dbraw/zinc/27/89/07/736278907.db2.gz NNHPUQFYLOVQPS-INIZCTEOSA-N 1 3 343.512 0.773 20 0 ECADHO C[NH+]1CCC(CC(=O)NCCCNCC(=O)Nc2cnccn2)CC1 ZINC001167655320 736316605 /nfs/dbraw/zinc/31/66/05/736316605.db2.gz MSSIILCLAMAJDN-UHFFFAOYSA-N 1 3 348.451 0.243 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001023125536 736520359 /nfs/dbraw/zinc/52/03/59/736520359.db2.gz SJAKVHCFHOCREL-ZQDZILKHSA-N 1 3 337.468 0.121 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001023125534 736520651 /nfs/dbraw/zinc/52/06/51/736520651.db2.gz SJAKVHCFHOCREL-NMWPEEMBSA-N 1 3 337.468 0.121 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)CN1CCCC1)[NH+](C)C ZINC001067465782 737410982 /nfs/dbraw/zinc/41/09/82/737410982.db2.gz KZZOIHJKRQAZTI-KRWDZBQOSA-N 1 3 340.512 0.975 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1 ZINC001087259251 737562551 /nfs/dbraw/zinc/56/25/51/737562551.db2.gz GXAGWQNZFYGKMI-FZMZJTMJSA-N 1 3 333.436 0.496 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1 ZINC001087259251 737562553 /nfs/dbraw/zinc/56/25/53/737562553.db2.gz GXAGWQNZFYGKMI-FZMZJTMJSA-N 1 3 333.436 0.496 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC000972743027 737585141 /nfs/dbraw/zinc/58/51/41/737585141.db2.gz MZLXVDCFNAKYPT-XJKSGUPXSA-N 1 3 345.447 0.573 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC000972743027 737585144 /nfs/dbraw/zinc/58/51/44/737585144.db2.gz MZLXVDCFNAKYPT-XJKSGUPXSA-N 1 3 345.447 0.573 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001024018340 737623649 /nfs/dbraw/zinc/62/36/49/737623649.db2.gz MVBJPDOTOMRYKC-BBRMVZONSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H](O)CN1CCCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024702614 738227890 /nfs/dbraw/zinc/22/78/90/738227890.db2.gz XSTOIYVEIPCVQM-GDBMZVCRSA-N 1 3 337.468 0.410 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006454559 751402049 /nfs/dbraw/zinc/40/20/49/751402049.db2.gz BXRVUFGDFZBCHK-LBPRGKRZSA-N 1 3 331.420 0.011 20 0 ECADHO CCCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104731859 739573360 /nfs/dbraw/zinc/57/33/60/739573360.db2.gz BPMGHAVDKDPCIQ-QLFBSQMISA-N 1 3 349.479 0.941 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025782060 739940586 /nfs/dbraw/zinc/94/05/86/739940586.db2.gz XXKXEGIORHEFQU-MTSZKFMLSA-N 1 3 344.463 0.199 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025782060 739940587 /nfs/dbraw/zinc/94/05/87/739940587.db2.gz XXKXEGIORHEFQU-MTSZKFMLSA-N 1 3 344.463 0.199 20 0 ECADHO C[C@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908654 740215825 /nfs/dbraw/zinc/21/58/25/740215825.db2.gz QALYSFQLXAOABC-DGLYNPCGSA-N 1 3 337.439 0.644 20 0 ECADHO C[C@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908654 740215829 /nfs/dbraw/zinc/21/58/29/740215829.db2.gz QALYSFQLXAOABC-DGLYNPCGSA-N 1 3 337.439 0.644 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025967444 740282397 /nfs/dbraw/zinc/28/23/97/740282397.db2.gz XTMJHNKNGCADGD-LJIZCISZSA-N 1 3 334.464 0.043 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025967444 740282399 /nfs/dbraw/zinc/28/23/99/740282399.db2.gz XTMJHNKNGCADGD-LJIZCISZSA-N 1 3 334.464 0.043 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)C1 ZINC001087387522 740290274 /nfs/dbraw/zinc/29/02/74/740290274.db2.gz FUILVHGSZVIGNH-NXOAAHMSSA-N 1 3 335.492 0.879 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)C1 ZINC001087387522 740290278 /nfs/dbraw/zinc/29/02/78/740290278.db2.gz FUILVHGSZVIGNH-NXOAAHMSSA-N 1 3 335.492 0.879 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026088648 740363342 /nfs/dbraw/zinc/36/33/42/740363342.db2.gz INXMOTKRWGXOBA-BQJWPVKWSA-N 1 3 348.491 0.574 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026088648 740363347 /nfs/dbraw/zinc/36/33/47/740363347.db2.gz INXMOTKRWGXOBA-BQJWPVKWSA-N 1 3 348.491 0.574 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104753537 740366922 /nfs/dbraw/zinc/36/69/22/740366922.db2.gz FPABPPYKFRIOJD-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO CC[C@H](C(=O)N1C[C@H](C)OC2(CC[NH+](CCO)CC2)C1)N(C)C ZINC001098609659 740730148 /nfs/dbraw/zinc/73/01/48/740730148.db2.gz CTOOUYBLQOALCP-LSDHHAIUSA-N 1 3 327.469 0.401 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCn3cncn3)[C@H]2C1)C1CCC1 ZINC001026283180 740741927 /nfs/dbraw/zinc/74/19/27/740741927.db2.gz DBGAYJSMCOYSCB-BHYGNILZSA-N 1 3 346.479 0.589 20 0 ECADHO Cc1ncoc1CNCC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167737738 740939828 /nfs/dbraw/zinc/93/98/28/740939828.db2.gz ZNVJQXAPCJNFHM-UHFFFAOYSA-N 1 3 338.452 0.937 20 0 ECADHO Cn1cnnc1CN[C@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001026347821 740981668 /nfs/dbraw/zinc/98/16/68/740981668.db2.gz ALCRSVCYACJOEH-XHSDSOJGSA-N 1 3 346.479 0.484 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@@H]([NH2+]CCn3cccn3)[C@@H]2C1 ZINC001026366470 741069918 /nfs/dbraw/zinc/06/99/18/741069918.db2.gz LIPHDZZFSQLHCC-NUEKZKHPSA-N 1 3 328.420 0.676 20 0 ECADHO Cn1cnnc1CN[C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001026400455 741235209 /nfs/dbraw/zinc/23/52/09/741235209.db2.gz JXXNLGOELAEHBE-RRFJBIMHSA-N 1 3 344.463 0.238 20 0 ECADHO Cn1cc(CN[C@@H]2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)nn1 ZINC001026399909 741237710 /nfs/dbraw/zinc/23/77/10/741237710.db2.gz AOWWRJGPHDVADT-CWRNSKLLSA-N 1 3 344.463 0.238 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000974323126 741312000 /nfs/dbraw/zinc/31/20/00/741312000.db2.gz NSUJKKALKDIASY-HRCADAONSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001026560792 741555726 /nfs/dbraw/zinc/55/57/26/741555726.db2.gz DOGMVDJBPUICDX-QQFBHYJXSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001026901246 742051717 /nfs/dbraw/zinc/05/17/17/742051717.db2.gz LUDRGWGVROHMAU-WMZOPIPTSA-N 1 3 348.491 0.910 20 0 ECADHO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001027066115 742439215 /nfs/dbraw/zinc/43/92/15/742439215.db2.gz LZSFKASHTPZBDY-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001027092016 742526988 /nfs/dbraw/zinc/52/69/88/742526988.db2.gz YUXPBEXTGVPMJN-CQSZACIVSA-N 1 3 329.404 0.994 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCC(N3CCN(CCF)CC3)CC2)C1 ZINC000996800445 742887349 /nfs/dbraw/zinc/88/73/49/742887349.db2.gz BWWSHGTVBRVHLI-KLAILNCOSA-N 1 3 340.487 0.953 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC2CCC(N3CCN(CCF)CC3)CC2)C1 ZINC000996800445 742887357 /nfs/dbraw/zinc/88/73/57/742887357.db2.gz BWWSHGTVBRVHLI-KLAILNCOSA-N 1 3 340.487 0.953 20 0 ECADHO CC(C)N1CC[C@@H](N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028930964 742893587 /nfs/dbraw/zinc/89/35/87/742893587.db2.gz HTBFJXKDTAKQIB-HZPDHXFCSA-N 1 3 348.491 0.530 20 0 ECADHO Cc1nn(C)cc1CN1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028932666 742895976 /nfs/dbraw/zinc/89/59/76/742895976.db2.gz JPADEHPQTDOADJ-HNNXBMFYSA-N 1 3 331.464 0.762 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)CC[N@@H+]1C ZINC000997013531 743131536 /nfs/dbraw/zinc/13/15/36/743131536.db2.gz PNBGVIWNNWQRGG-MTSZKFMLSA-N 1 3 348.491 0.671 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)CC[N@H+]1C ZINC000997013531 743131543 /nfs/dbraw/zinc/13/15/43/743131543.db2.gz PNBGVIWNNWQRGG-MTSZKFMLSA-N 1 3 348.491 0.671 20 0 ECADHO C[C@H]1CCCCN1C(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997053364 743174030 /nfs/dbraw/zinc/17/40/30/743174030.db2.gz LBPMPYCLLNADLC-AWEZNQCLSA-N 1 3 347.463 0.934 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217570 743194240 /nfs/dbraw/zinc/19/42/40/743194240.db2.gz LZIQLQMKMTXULR-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000997236279 743386932 /nfs/dbraw/zinc/38/69/32/743386932.db2.gz RLZUGNHIMMTLIL-HIFRSBDPSA-N 1 3 347.463 0.708 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001020592658 751863954 /nfs/dbraw/zinc/86/39/54/751863954.db2.gz LGILCVPPZOWHHS-ZRJCITRHSA-N 1 3 332.452 0.617 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001020592658 751863962 /nfs/dbraw/zinc/86/39/62/751863962.db2.gz LGILCVPPZOWHHS-ZRJCITRHSA-N 1 3 332.452 0.617 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)n1 ZINC000998547856 744219375 /nfs/dbraw/zinc/21/93/75/744219375.db2.gz BCLBJYLRXLBVOA-UYSNPLJNSA-N 1 3 334.468 0.568 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)CCC1 ZINC000976760537 744275738 /nfs/dbraw/zinc/27/57/38/744275738.db2.gz GBXOVDWRVCDWEB-ZSHCYNCHSA-N 1 3 348.491 0.386 20 0 ECADHO COc1coc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cc1=O ZINC000998734639 744306842 /nfs/dbraw/zinc/30/68/42/744306842.db2.gz XTASUIZFHULZGG-DZGCQCFKSA-N 1 3 349.431 0.823 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1)C1CC1 ZINC001027443751 744461958 /nfs/dbraw/zinc/46/19/58/744461958.db2.gz NKMALCKNNZICRF-HOTGVXAUSA-N 1 3 334.468 0.541 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1)C1CC1 ZINC001027443751 744461960 /nfs/dbraw/zinc/46/19/60/744461960.db2.gz NKMALCKNNZICRF-HOTGVXAUSA-N 1 3 334.468 0.541 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC000999143400 744533956 /nfs/dbraw/zinc/53/39/56/744533956.db2.gz GWONLGVHEZXYHL-ZBFHGGJFSA-N 1 3 334.468 0.769 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC000999143400 744533959 /nfs/dbraw/zinc/53/39/59/744533959.db2.gz GWONLGVHEZXYHL-ZBFHGGJFSA-N 1 3 334.468 0.769 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC000999143395 744533977 /nfs/dbraw/zinc/53/39/77/744533977.db2.gz GWONLGVHEZXYHL-GDBMZVCRSA-N 1 3 334.468 0.769 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC000999143395 744533980 /nfs/dbraw/zinc/53/39/80/744533980.db2.gz GWONLGVHEZXYHL-GDBMZVCRSA-N 1 3 334.468 0.769 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC000999310360 744616724 /nfs/dbraw/zinc/61/67/24/744616724.db2.gz XQVDWUMBPHILHI-GDBMZVCRSA-N 1 3 334.468 0.770 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC000999310360 744616727 /nfs/dbraw/zinc/61/67/27/744616727.db2.gz XQVDWUMBPHILHI-GDBMZVCRSA-N 1 3 334.468 0.770 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000999320033 744624885 /nfs/dbraw/zinc/62/48/85/744624885.db2.gz SABUTRIHSNGCPG-UHFFFAOYSA-N 1 3 346.435 0.863 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CCC1 ZINC000999349815 744643617 /nfs/dbraw/zinc/64/36/17/744643617.db2.gz VDNWFCDGHKRXBD-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC000999363137 744654784 /nfs/dbraw/zinc/65/47/84/744654784.db2.gz CELLXTTYEYLZMA-IAGOWNOFSA-N 1 3 348.495 0.816 20 0 ECADHO CN(CC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1)C1CCC1 ZINC000999381341 744668041 /nfs/dbraw/zinc/66/80/41/744668041.db2.gz ZFYPCZBDOADWQV-GOEBONIOSA-N 1 3 346.479 0.830 20 0 ECADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+][C@H]2CCCNC2=O)C1 ZINC000999402076 744678128 /nfs/dbraw/zinc/67/81/28/744678128.db2.gz DHNALTGNSRTDGI-NRXISQOPSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCN2CCCC2=O)C1 ZINC000999406813 744680316 /nfs/dbraw/zinc/68/03/16/744680316.db2.gz RNBSPADYZYPDKR-QQFBHYJXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000977198065 744773448 /nfs/dbraw/zinc/77/34/48/744773448.db2.gz XSILUAHETMAPLF-KMANFZQXSA-N 1 3 348.491 0.386 20 0 ECADHO CCN1CC[C@H](N[C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000999596764 744781919 /nfs/dbraw/zinc/78/19/19/744781919.db2.gz MPARZPTXFDPXND-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO CC1CCN(CC(=O)N(C)C2CC([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC000999602304 744785018 /nfs/dbraw/zinc/78/50/18/744785018.db2.gz RKCPHWOFXXJNPX-UYSNPLJNSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC000999833678 744928487 /nfs/dbraw/zinc/92/84/87/744928487.db2.gz PABPUITYVHLKQS-FHERZECASA-N 1 3 336.480 0.578 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001020679355 751962136 /nfs/dbraw/zinc/96/21/36/751962136.db2.gz NHAWQONFJSFNML-WKILWMFISA-N 1 3 347.463 0.954 20 0 ECADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)o1 ZINC000983715821 745092532 /nfs/dbraw/zinc/09/25/32/745092532.db2.gz KRCGBCHMKIHZDJ-JKQORVJESA-N 1 3 348.447 0.831 20 0 ECADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)o1 ZINC000983715821 745092539 /nfs/dbraw/zinc/09/25/39/745092539.db2.gz KRCGBCHMKIHZDJ-JKQORVJESA-N 1 3 348.447 0.831 20 0 ECADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000999986636 745140788 /nfs/dbraw/zinc/14/07/88/745140788.db2.gz UMMKKWAMTJUOBV-GDBMZVCRSA-N 1 3 336.480 0.849 20 0 ECADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999986636 745140793 /nfs/dbraw/zinc/14/07/93/745140793.db2.gz UMMKKWAMTJUOBV-GDBMZVCRSA-N 1 3 336.480 0.849 20 0 ECADHO CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000079067 745247953 /nfs/dbraw/zinc/24/79/53/745247953.db2.gz TWJWBWAJDMOUEN-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO COCCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154405 745361706 /nfs/dbraw/zinc/36/17/06/745361706.db2.gz KAKPPQJGLQUDDG-VXGBXAGGSA-N 1 3 325.375 0.954 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)n1 ZINC001000319773 745425052 /nfs/dbraw/zinc/42/50/52/745425052.db2.gz DCAVZFYOHSTUJH-CQSZACIVSA-N 1 3 331.424 0.441 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555611 745445473 /nfs/dbraw/zinc/44/54/73/745445473.db2.gz PMGGSGLLPAROFP-INIZCTEOSA-N 1 3 334.468 0.543 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001000546284 745583207 /nfs/dbraw/zinc/58/32/07/745583207.db2.gz NYXWZVZADVLUOD-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(N1CCC[C@H](NCc2n[nH]c(C3CC3)n2)C1)C12CC[NH+](CC1)C2 ZINC001000700973 745708717 /nfs/dbraw/zinc/70/87/17/745708717.db2.gz GQNUWDNKBJSDOY-AWEZNQCLSA-N 1 3 344.463 0.859 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000978058070 745838538 /nfs/dbraw/zinc/83/85/38/745838538.db2.gz RWZZCWMEXMERRW-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC001027651924 746544439 /nfs/dbraw/zinc/54/44/39/746544439.db2.gz OIVVOCNUIOTIIG-OLZOCXBDSA-N 1 3 333.436 0.558 20 0 ECADHO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC001027651924 746544440 /nfs/dbraw/zinc/54/44/40/746544440.db2.gz OIVVOCNUIOTIIG-OLZOCXBDSA-N 1 3 333.436 0.558 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnon3)C2)C1 ZINC000984670010 746816456 /nfs/dbraw/zinc/81/64/56/746816456.db2.gz OFOHNKCJJSAZMD-UMVBOHGHSA-N 1 3 337.424 0.163 20 0 ECADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC001002077179 746953779 /nfs/dbraw/zinc/95/37/79/746953779.db2.gz LARDRNMTIGHCST-HZPDHXFCSA-N 1 3 336.480 0.243 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)nn1 ZINC000984799766 746955211 /nfs/dbraw/zinc/95/52/11/746955211.db2.gz JWKRWJARJJIVKA-IIAWOOMASA-N 1 3 347.463 0.954 20 0 ECADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000984807107 746963362 /nfs/dbraw/zinc/96/33/62/746963362.db2.gz CYWOLSCHLCFLBT-TUUVXOQKSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000984807107 746963363 /nfs/dbraw/zinc/96/33/63/746963363.db2.gz CYWOLSCHLCFLBT-TUUVXOQKSA-N 1 3 331.464 0.967 20 0 ECADHO COc1cncc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)n1 ZINC000984810296 746965878 /nfs/dbraw/zinc/96/58/78/746965878.db2.gz VDGUPJASUCDLPX-YXWQFLTLSA-N 1 3 347.463 0.667 20 0 ECADHO COc1cncc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)n1 ZINC000984810296 746965883 /nfs/dbraw/zinc/96/58/83/746965883.db2.gz VDGUPJASUCDLPX-YXWQFLTLSA-N 1 3 347.463 0.667 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC000984802818 746973628 /nfs/dbraw/zinc/97/36/28/746973628.db2.gz CIVVXGFRRFJVCC-FPCVCCKLSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000984886372 747047052 /nfs/dbraw/zinc/04/70/52/747047052.db2.gz ZHXLQTVJLFRZGJ-FPCVCCKLSA-N 1 3 336.480 0.622 20 0 ECADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC001002256926 747131037 /nfs/dbraw/zinc/13/10/37/747131037.db2.gz CUACVLALUHYMGO-ARFHVFGLSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC001002256926 747131046 /nfs/dbraw/zinc/13/10/46/747131046.db2.gz CUACVLALUHYMGO-ARFHVFGLSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000985065776 747313062 /nfs/dbraw/zinc/31/30/62/747313062.db2.gz NDFZYUZYJCPFOD-JKSUJKDBSA-N 1 3 347.463 0.790 20 0 ECADHO CN1CC[C@@H](N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088091722 747351600 /nfs/dbraw/zinc/35/16/00/747351600.db2.gz XRRBGXZAWFXFBZ-IXDOHACOSA-N 1 3 348.491 0.339 20 0 ECADHO CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2)C1CCC1 ZINC001002802772 747806133 /nfs/dbraw/zinc/80/61/33/747806133.db2.gz LQTMKJSKAYDZCO-DZUCGIPZSA-N 1 3 348.491 0.671 20 0 ECADHO CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2)C1CCC1 ZINC001002802772 747806143 /nfs/dbraw/zinc/80/61/43/747806143.db2.gz LQTMKJSKAYDZCO-DZUCGIPZSA-N 1 3 348.491 0.671 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001002889848 747925868 /nfs/dbraw/zinc/92/58/68/747925868.db2.gz WDDXDEGTGNQSBV-HOTGVXAUSA-N 1 3 345.447 0.544 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001002889848 747925872 /nfs/dbraw/zinc/92/58/72/747925872.db2.gz WDDXDEGTGNQSBV-HOTGVXAUSA-N 1 3 345.447 0.544 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001029754784 748261318 /nfs/dbraw/zinc/26/13/18/748261318.db2.gz CXQSGBNTVRDBJM-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001029754784 748261313 /nfs/dbraw/zinc/26/13/13/748261313.db2.gz CXQSGBNTVRDBJM-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001003322992 748427286 /nfs/dbraw/zinc/42/72/86/748427286.db2.gz DCZAWHBQJZECNJ-GDBMZVCRSA-N 1 3 347.463 0.647 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)[C@@H]1CCNC1=O ZINC001029799863 748466971 /nfs/dbraw/zinc/46/69/71/748466971.db2.gz FTNQRLISPLFVNE-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2occc2CN(C)C)CC1 ZINC001003516962 748635116 /nfs/dbraw/zinc/63/51/16/748635116.db2.gz DHDGYTOUGQVMIF-AWEZNQCLSA-N 1 3 336.436 0.799 20 0 ECADHO C[N@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@H]1CCNC(=O)CC1 ZINC001029852901 748830350 /nfs/dbraw/zinc/83/03/50/748830350.db2.gz JKHNSWJMFSVPNL-HUUCEWRRSA-N 1 3 347.463 0.649 20 0 ECADHO C[N@@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@H]1CCNC(=O)CC1 ZINC001029852901 748830360 /nfs/dbraw/zinc/83/03/60/748830360.db2.gz JKHNSWJMFSVPNL-HUUCEWRRSA-N 1 3 347.463 0.649 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CCCCC[C@H](NCC(N)=O)C2)CC1 ZINC001088408105 749068908 /nfs/dbraw/zinc/06/89/08/749068908.db2.gz NCERVKDJELGNEU-INIZCTEOSA-N 1 3 338.496 0.953 20 0 ECADHO Cn1nccc1CCN1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003973679 749095771 /nfs/dbraw/zinc/09/57/71/749095771.db2.gz DUBIXVIGNDAWJI-OAHLLOKOSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CCN1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003973679 749095777 /nfs/dbraw/zinc/09/57/77/749095777.db2.gz DUBIXVIGNDAWJI-OAHLLOKOSA-N 1 3 333.480 0.885 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H]3CN(CC(N)=O)C[C@H]3C2)CC1 ZINC000980183559 749131525 /nfs/dbraw/zinc/13/15/25/749131525.db2.gz HAZQXRUMLAISDS-ARFHVFGLSA-N 1 3 336.480 0.420 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001088425550 749160852 /nfs/dbraw/zinc/16/08/52/749160852.db2.gz XYRKAJOISHWGJQ-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001088425550 749160860 /nfs/dbraw/zinc/16/08/60/749160860.db2.gz XYRKAJOISHWGJQ-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001051356858 761932537 /nfs/dbraw/zinc/93/25/37/761932537.db2.gz QJQCLPCYHGDGLY-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001051356874 761932702 /nfs/dbraw/zinc/93/27/02/761932702.db2.gz ZRSHSYZKHXSSFR-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)N(C)C ZINC001004393307 749460764 /nfs/dbraw/zinc/46/07/64/749460764.db2.gz ZZQMFPHMJOBDND-WCVJEAGWSA-N 1 3 348.491 0.671 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059688939 749466933 /nfs/dbraw/zinc/46/69/33/749466933.db2.gz LXOTWPRIDVADHY-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001059688939 749466937 /nfs/dbraw/zinc/46/69/37/749466937.db2.gz LXOTWPRIDVADHY-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO CCn1cc(CNC[C@@H]2C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC000980690402 749975570 /nfs/dbraw/zinc/97/55/70/749975570.db2.gz QAIQZZJXYPRXIF-CABCVRRESA-N 1 3 348.495 0.966 20 0 ECADHO C[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)CN1C(=O)CN1CCC(C)CC1 ZINC000980739441 750056155 /nfs/dbraw/zinc/05/61/55/750056155.db2.gz QWLYKSJQXBUWNV-JKSUJKDBSA-N 1 3 348.495 0.874 20 0 ECADHO CN(CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)[C@H]1CCNC1=O ZINC001029966175 750121700 /nfs/dbraw/zinc/12/17/00/750121700.db2.gz SETXNOCARUHALW-SJORKVTESA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)[C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001029966375 750123140 /nfs/dbraw/zinc/12/31/40/750123140.db2.gz SYONLRDLEGHDGJ-BMFZPTHFSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)[C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001029966375 750123144 /nfs/dbraw/zinc/12/31/44/750123144.db2.gz SYONLRDLEGHDGJ-BMFZPTHFSA-N 1 3 336.480 0.386 20 0 ECADHO CN(CC(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1)C1CCC1 ZINC001029971231 750155739 /nfs/dbraw/zinc/15/57/39/750155739.db2.gz SHDTZDXSYXJVMO-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1)C1CCC1 ZINC001029971231 750155743 /nfs/dbraw/zinc/15/57/43/750155743.db2.gz SHDTZDXSYXJVMO-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CCn1nncc1CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000986825269 750393078 /nfs/dbraw/zinc/39/30/78/750393078.db2.gz MBICJOROXBUYGX-CZUORRHYSA-N 1 3 334.468 0.719 20 0 ECADHO Cn1cc(CN[C@H]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC000981311939 750574499 /nfs/dbraw/zinc/57/44/99/750574499.db2.gz PQYAFOIPKZNPGF-GJZGRUSLSA-N 1 3 334.468 0.674 20 0 ECADHO C[C@@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255432 750631937 /nfs/dbraw/zinc/63/19/37/750631937.db2.gz PHLLTPATWMKANM-CVEARBPZSA-N 1 3 334.468 0.589 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000981377038 750644625 /nfs/dbraw/zinc/64/46/25/750644625.db2.gz WEPHMEKQJCQFEX-SOUVJXGZSA-N 1 3 347.463 0.613 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000981377038 750644629 /nfs/dbraw/zinc/64/46/29/750644629.db2.gz WEPHMEKQJCQFEX-SOUVJXGZSA-N 1 3 347.463 0.613 20 0 ECADHO C[C@@H]1[C@H](NCC(=O)N2CCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987358551 750751998 /nfs/dbraw/zinc/75/19/98/750751998.db2.gz IGYJCPJJSPNRMU-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1[C@H]([NH2+]Cc2cccc(C(N)=O)c2)CCN1C(=O)CN1CCCC1 ZINC000987527547 750933306 /nfs/dbraw/zinc/93/33/06/750933306.db2.gz WJYVSZKTIQBJNR-RHSMWYFYSA-N 1 3 344.459 0.960 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006119724 751038814 /nfs/dbraw/zinc/03/88/14/751038814.db2.gz RPZDLBWTTVNTKI-UONOGXRCSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006119724 751038821 /nfs/dbraw/zinc/03/88/21/751038821.db2.gz RPZDLBWTTVNTKI-UONOGXRCSA-N 1 3 336.480 0.386 20 0 ECADHO CN1CCC(NC(=O)c2ccc(NC3(C)CC[NH2+]CC3)nn2)CC1 ZINC001168187651 751060289 /nfs/dbraw/zinc/06/02/89/751060289.db2.gz SNYYBWIKRNNBOQ-UHFFFAOYSA-N 1 3 332.452 0.855 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001051447857 762092903 /nfs/dbraw/zinc/09/29/03/762092903.db2.gz KCDWMZWFCBOOCC-DZGCQCFKSA-N 1 3 349.479 0.956 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CN2CCCC2)C1 ZINC001006179661 751092070 /nfs/dbraw/zinc/09/20/70/751092070.db2.gz DPSQZAGXXVQRFI-SQWLQELKSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CN2CCCC2)C1 ZINC001006179661 751092077 /nfs/dbraw/zinc/09/20/77/751092077.db2.gz DPSQZAGXXVQRFI-SQWLQELKSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CN2CCCC2)C1 ZINC001006336839 751258968 /nfs/dbraw/zinc/25/89/68/751258968.db2.gz JJGSLNUENPVQAN-CQSZACIVSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)c1ccncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001020938747 752364580 /nfs/dbraw/zinc/36/45/80/752364580.db2.gz VUMQUJSWOANZBK-HAQNSBGRSA-N 1 3 329.408 0.327 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)c1 ZINC001021090975 752531559 /nfs/dbraw/zinc/53/15/59/752531559.db2.gz PVAKPRITJVDDIV-BRWVUGGUSA-N 1 3 344.459 0.877 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)Cc1c[nH]cn1 ZINC000989060360 753197818 /nfs/dbraw/zinc/19/78/18/753197818.db2.gz DYQYDIWXDKUWJJ-OCCSQVGLSA-N 1 3 331.420 0.154 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989071510 753212786 /nfs/dbraw/zinc/21/27/86/753212786.db2.gz SXDBFQLIUSEIFY-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989071510 753212794 /nfs/dbraw/zinc/21/27/94/753212794.db2.gz SXDBFQLIUSEIFY-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000982780037 753545334 /nfs/dbraw/zinc/54/53/34/753545334.db2.gz ZMLIOQLDMAXHMP-HNNXBMFYSA-N 1 3 336.480 0.389 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001008395873 753694720 /nfs/dbraw/zinc/69/47/20/753694720.db2.gz QZQFCMKCXFAFQH-DZGCQCFKSA-N 1 3 347.463 0.566 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001008395873 753694723 /nfs/dbraw/zinc/69/47/23/753694723.db2.gz QZQFCMKCXFAFQH-DZGCQCFKSA-N 1 3 347.463 0.566 20 0 ECADHO Cc1nc(CN[C@H]2C[C@@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)n[nH]1 ZINC000989519305 754073258 /nfs/dbraw/zinc/07/32/58/754073258.db2.gz LJUUNSJZCGOZGV-DOMZBBRYSA-N 1 3 334.468 0.924 20 0 ECADHO C[C@H]1C[C@@H](NCC(=O)N2CCCCC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989682224 754301921 /nfs/dbraw/zinc/30/19/21/754301921.db2.gz HSDTYXZQJZUXLD-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1N(CC(=O)N1CCCC1)CC2 ZINC000990011633 754646972 /nfs/dbraw/zinc/64/69/72/754646972.db2.gz CMXKQYWXUMHURM-GJYPPUQNSA-N 1 3 348.491 0.816 20 0 ECADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1N(CC(=O)N1CCCC1)CC2 ZINC000990011633 754646978 /nfs/dbraw/zinc/64/69/78/754646978.db2.gz CMXKQYWXUMHURM-GJYPPUQNSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(=O)N1CCCC1)CC2 ZINC000990011633 754646984 /nfs/dbraw/zinc/64/69/84/754646984.db2.gz CMXKQYWXUMHURM-GJYPPUQNSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(=O)N1CCCC1)CC2 ZINC000990011633 754646989 /nfs/dbraw/zinc/64/69/89/754646989.db2.gz CMXKQYWXUMHURM-GJYPPUQNSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC000990276359 754931359 /nfs/dbraw/zinc/93/13/59/754931359.db2.gz ICAFVRWFVBVSML-LSDHHAIUSA-N 1 3 332.452 0.440 20 0 ECADHO CCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522874 755890155 /nfs/dbraw/zinc/89/01/55/755890155.db2.gz BFCPCNMJHOEMMN-ZACQAIPSSA-N 1 3 339.480 0.591 20 0 ECADHO CCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522874 755890158 /nfs/dbraw/zinc/89/01/58/755890158.db2.gz BFCPCNMJHOEMMN-ZACQAIPSSA-N 1 3 339.480 0.591 20 0 ECADHO C[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)CN1C(=O)Cc1c[nH]cn1 ZINC001010328330 756008034 /nfs/dbraw/zinc/00/80/34/756008034.db2.gz SZZDIUFUKYDGND-UONOGXRCSA-N 1 3 345.447 0.401 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)CC1 ZINC001076204167 756209451 /nfs/dbraw/zinc/20/94/51/756209451.db2.gz VGZKORDTFAQZTQ-DLBZAZTESA-N 1 3 331.464 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ZINC001051930506 763364062 /nfs/dbraw/zinc/36/40/62/763364062.db2.gz NYYPRCYMQPYAMZ-MSOLQXFVSA-N 1 3 346.475 0.967 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051932172 763373593 /nfs/dbraw/zinc/37/35/93/763373593.db2.gz MBTZJCZPAVITLC-HZPDHXFCSA-N 1 3 333.436 0.054 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051932172 763373602 /nfs/dbraw/zinc/37/36/02/763373602.db2.gz MBTZJCZPAVITLC-HZPDHXFCSA-N 1 3 333.436 0.054 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001051943108 763408378 /nfs/dbraw/zinc/40/83/78/763408378.db2.gz IKBXNYRHTMUHEM-SJORKVTESA-N 1 3 349.479 0.612 20 0 ECADHO C[C@H](O)CN1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968391 763484523 /nfs/dbraw/zinc/48/45/23/763484523.db2.gz FTIDKLLCDIOIRG-JSGCOSHPSA-N 1 3 333.423 0.782 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCc2cccnc2)CC[N@@H+]1C ZINC001127690755 763548871 /nfs/dbraw/zinc/54/88/71/763548871.db2.gz 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C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001054739998 768215626 /nfs/dbraw/zinc/21/56/26/768215626.db2.gz UNBNXEDAAOMIDI-GOEBONIOSA-N 1 3 333.480 0.883 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3cncc3c2)CC1 ZINC001052529327 764698795 /nfs/dbraw/zinc/69/87/95/764698795.db2.gz BISUAUSJLTZNRK-AWEZNQCLSA-N 1 3 329.404 0.665 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccn3cncc3c2)CC1 ZINC001052529327 764698800 /nfs/dbraw/zinc/69/88/00/764698800.db2.gz BISUAUSJLTZNRK-AWEZNQCLSA-N 1 3 329.404 0.665 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCc1ccnn1C ZINC001088983968 764700834 /nfs/dbraw/zinc/70/08/34/764700834.db2.gz ZBXOAPNGLMDIFE-ZBFHGGJFSA-N 1 3 331.464 0.637 20 0 ECADHO COCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991931765 764731738 /nfs/dbraw/zinc/73/17/38/764731738.db2.gz KINPFIXYISLVNP-WOKXDISNSA-N 1 3 349.475 0.609 20 0 ECADHO COCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991931765 764731742 /nfs/dbraw/zinc/73/17/42/764731742.db2.gz KINPFIXYISLVNP-WOKXDISNSA-N 1 3 349.475 0.609 20 0 ECADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(CCc2ccccc2)C[C@@H]1O ZINC001047627941 764927497 /nfs/dbraw/zinc/92/74/97/764927497.db2.gz ARLAQKHENHHKIC-BZSNNMDCSA-N 1 3 331.460 0.684 20 0 ECADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(CCc2ccccc2)C[C@@H]1O ZINC001047627941 764927502 /nfs/dbraw/zinc/92/75/02/764927502.db2.gz ARLAQKHENHHKIC-BZSNNMDCSA-N 1 3 331.460 0.684 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766442 765083952 /nfs/dbraw/zinc/08/39/52/765083952.db2.gz DABOXJGZMVEEKL-GDBMZVCRSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001052854351 765234414 /nfs/dbraw/zinc/23/44/14/765234414.db2.gz VMPKMFHTOJWCOC-HUUCEWRRSA-N 1 3 340.512 0.879 20 0 ECADHO CCN1CC[C@@H](N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001052871632 765265874 /nfs/dbraw/zinc/26/58/74/765265874.db2.gz LWBMXIPRJUDDKZ-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001053115135 765600844 /nfs/dbraw/zinc/60/08/44/765600844.db2.gz NYBDUGDPLSMFJK-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001053115135 765600846 /nfs/dbraw/zinc/60/08/46/765600846.db2.gz NYBDUGDPLSMFJK-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCc1cncn1C ZINC001054854483 768340305 /nfs/dbraw/zinc/34/03/05/768340305.db2.gz UYCIPQWOYWCLMX-ZBFHGGJFSA-N 1 3 331.464 0.985 20 0 ECADHO CCn1nncc1CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001054854293 768340322 /nfs/dbraw/zinc/34/03/22/768340322.db2.gz RLVYPWXBJDVMCV-GOEBONIOSA-N 1 3 346.479 0.863 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)CCC1 ZINC001045792444 766377237 /nfs/dbraw/zinc/37/72/37/766377237.db2.gz CBCDKRATYZQZMM-ILXRZTDVSA-N 1 3 334.464 0.425 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)CCC1 ZINC001045792444 766377245 /nfs/dbraw/zinc/37/72/45/766377245.db2.gz CBCDKRATYZQZMM-ILXRZTDVSA-N 1 3 334.464 0.425 20 0 ECADHO COCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035276 766719445 /nfs/dbraw/zinc/71/94/45/766719445.db2.gz INQUNYOHWLFNNO-DLBZAZTESA-N 1 3 338.496 0.192 20 0 ECADHO COCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035276 766719448 /nfs/dbraw/zinc/71/94/48/766719448.db2.gz INQUNYOHWLFNNO-DLBZAZTESA-N 1 3 338.496 0.192 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2N(CCN2CCNC2=O)CC3)C1 ZINC000992510870 766747345 /nfs/dbraw/zinc/74/73/45/766747345.db2.gz YARBEJPZIFKGQW-RLFYNMQTSA-N 1 3 349.479 0.077 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2N(CCN2CCNC2=O)CC3)C1 ZINC000992510870 766747352 /nfs/dbraw/zinc/74/73/52/766747352.db2.gz YARBEJPZIFKGQW-RLFYNMQTSA-N 1 3 349.479 0.077 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN([C@@H]3CC[N@H+](CC4CC4)C3)CC2)C1 ZINC001046064633 766842806 /nfs/dbraw/zinc/84/28/06/766842806.db2.gz 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CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)CN2CCC[C@H]2C)C1)[NH+](C)C ZINC000938821774 767121437 /nfs/dbraw/zinc/12/14/37/767121437.db2.gz VOVGXONITPRFDC-HLLBOEOZSA-N 1 3 338.496 0.774 20 0 ECADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293279 767175401 /nfs/dbraw/zinc/17/54/01/767175401.db2.gz BNHSVHAFYGUUCC-BRWVUGGUSA-N 1 3 339.480 0.570 20 0 ECADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297734 767183002 /nfs/dbraw/zinc/18/30/02/767183002.db2.gz KWDCAYKXEXQTQN-KLHDSHLOSA-N 1 3 327.469 0.569 20 0 ECADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297734 767183003 /nfs/dbraw/zinc/18/30/03/767183003.db2.gz KWDCAYKXEXQTQN-KLHDSHLOSA-N 1 3 327.469 0.569 20 0 ECADHO NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089830818 767389709 /nfs/dbraw/zinc/38/97/09/767389709.db2.gz HNKARYRHXOFHCC-JJXSEGSLSA-N 1 3 346.475 0.269 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001017102825 767586988 /nfs/dbraw/zinc/58/69/88/767586988.db2.gz DSBFMQIHKGRGBE-UHFFFAOYSA-N 1 3 331.420 0.154 20 0 ECADHO O=C(C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21)N1CCC1 ZINC000992830765 767655716 /nfs/dbraw/zinc/65/57/16/767655716.db2.gz GWCLCFHTXTWXNG-NUEKZKHPSA-N 1 3 345.447 0.401 20 0 ECADHO CN1CC[C@@H]([N@H+](C)C[C@@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001017263538 767785981 /nfs/dbraw/zinc/78/59/81/767785981.db2.gz GRUHQQPGUQKJEA-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001017263538 767785987 /nfs/dbraw/zinc/78/59/87/767785987.db2.gz GRUHQQPGUQKJEA-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106666648 768579182 /nfs/dbraw/zinc/57/91/82/768579182.db2.gz PERIETARARWQJI-XNJGSVPQSA-N 1 3 342.459 0.368 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1)N(C)C ZINC001106673877 768584487 /nfs/dbraw/zinc/58/44/87/768584487.db2.gz OKUGKLMJDPDDSV-BMFZPTHFSA-N 1 3 338.496 0.537 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001055383161 768840987 /nfs/dbraw/zinc/84/09/87/768840987.db2.gz AKMPYOSWFQJNOZ-GASCZTMLSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000993960597 769897919 /nfs/dbraw/zinc/89/79/19/769897919.db2.gz RUUAQRBZHLISGX-HNNXBMFYSA-N 1 3 333.436 0.542 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000993960597 769897932 /nfs/dbraw/zinc/89/79/32/769897932.db2.gz RUUAQRBZHLISGX-HNNXBMFYSA-N 1 3 333.436 0.542 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)CCC1 ZINC001018963187 770412476 /nfs/dbraw/zinc/41/24/76/770412476.db2.gz CQLMYIMGVSLXHA-INIZCTEOSA-N 1 3 344.459 0.960 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001019034630 770614113 /nfs/dbraw/zinc/61/41/13/770614113.db2.gz JXJLGHKVEZGLPX-QLFBSQMISA-N 1 3 345.509 0.342 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001019241738 771049435 /nfs/dbraw/zinc/04/94/35/771049435.db2.gz YSPDITJPQBBNSQ-RRFJBIMHSA-N 1 3 336.480 0.671 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCOCCO)C1 ZINC001099333843 771216151 /nfs/dbraw/zinc/21/61/51/771216151.db2.gz BHONPSVWGDHVFW-JKSUJKDBSA-N 1 3 341.496 0.554 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCOCCO)C1 ZINC001099333843 771216154 /nfs/dbraw/zinc/21/61/54/771216154.db2.gz BHONPSVWGDHVFW-JKSUJKDBSA-N 1 3 341.496 0.554 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056559191 771380663 /nfs/dbraw/zinc/38/06/63/771380663.db2.gz KKIOXICNQPRKPD-JKSUJKDBSA-N 1 3 347.463 0.886 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056559191 771380667 /nfs/dbraw/zinc/38/06/67/771380667.db2.gz KKIOXICNQPRKPD-JKSUJKDBSA-N 1 3 347.463 0.886 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH]cn1 ZINC001056572612 771394122 /nfs/dbraw/zinc/39/41/22/771394122.db2.gz LWAADJIWUQZTFQ-CVEARBPZSA-N 1 3 347.463 0.886 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH]cn1 ZINC001056572612 771394131 /nfs/dbraw/zinc/39/41/31/771394131.db2.gz LWAADJIWUQZTFQ-CVEARBPZSA-N 1 3 347.463 0.886 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001019652078 771668827 /nfs/dbraw/zinc/66/88/27/771668827.db2.gz HLNJLARFZAYSHG-ZBFHGGJFSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001019652078 771668831 /nfs/dbraw/zinc/66/88/31/771668831.db2.gz HLNJLARFZAYSHG-ZBFHGGJFSA-N 1 3 347.463 0.826 20 0 ECADHO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019820506 771838340 /nfs/dbraw/zinc/83/83/40/771838340.db2.gz MZNFFSKHFYCHME-HOCLYGCPSA-N 1 3 330.432 0.441 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019820506 771838343 /nfs/dbraw/zinc/83/83/43/771838343.db2.gz MZNFFSKHFYCHME-HOCLYGCPSA-N 1 3 330.432 0.441 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001020178622 772248079 /nfs/dbraw/zinc/24/80/79/772248079.db2.gz ACHHXUKUYPNTRQ-OTRWWLKZSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001020178622 772248080 /nfs/dbraw/zinc/24/80/80/772248080.db2.gz ACHHXUKUYPNTRQ-OTRWWLKZSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CN4CCC[C@@H]4CO3)C2)c1 ZINC001020178827 772248545 /nfs/dbraw/zinc/24/85/45/772248545.db2.gz GBVJTSOYHDGYNI-BRSBDYLESA-N 1 3 344.459 0.990 20 0 ECADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001078468892 783008620 /nfs/dbraw/zinc/00/86/20/783008620.db2.gz QTFJLZASKUEKGQ-HOTGVXAUSA-N 1 3 337.468 0.467 20 0 ECADHO Cc1nc2c([nH]1)C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc3ccn(C)n3)C1)CC2 ZINC001020316703 772438101 /nfs/dbraw/zinc/43/81/01/772438101.db2.gz RFROZTNFTFZGQW-BPLDGKMQSA-N 1 3 342.447 0.994 20 0 ECADHO Cn1cnc2cc(C(=O)N[C@@H]3C[C@@H]([NH2+]Cc4nnnn4C)C3)ccc21 ZINC001020316942 772438118 /nfs/dbraw/zinc/43/81/18/772438118.db2.gz WGRXHLYMPKMGIE-HAQNSBGRSA-N 1 3 340.391 0.147 20 0 ECADHO Cc1nc2c([nH]1)C[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C1)CC2 ZINC001020316591 772438173 /nfs/dbraw/zinc/43/81/73/772438173.db2.gz PHTIYUCASXFNEX-RGCMKSIDSA-N 1 3 345.447 0.291 20 0 ECADHO Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C1)C2 ZINC001020316591 772438174 /nfs/dbraw/zinc/43/81/74/772438174.db2.gz PHTIYUCASXFNEX-RGCMKSIDSA-N 1 3 345.447 0.291 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001078472739 783018233 /nfs/dbraw/zinc/01/82/33/783018233.db2.gz GLFMWZUGGIQNHK-ILXRZTDVSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001078472739 783018241 /nfs/dbraw/zinc/01/82/41/783018241.db2.gz GLFMWZUGGIQNHK-ILXRZTDVSA-N 1 3 326.485 0.679 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)n1 ZINC001044751483 774579939 /nfs/dbraw/zinc/57/99/39/774579939.db2.gz UEBFFIYPIMNULN-SWLSCSKDSA-N 1 3 345.451 0.830 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044753473 774581190 /nfs/dbraw/zinc/58/11/90/774581190.db2.gz CULOTUHRNCGYNF-KBPBESRZSA-N 1 3 333.436 0.544 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]C[C@H]2CCc3ncnn32)CCC1 ZINC001045067190 774925804 /nfs/dbraw/zinc/92/58/04/774925804.db2.gz MBDWXLPPUUTBLJ-LSDHHAIUSA-N 1 3 346.479 0.830 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044629732 776542117 /nfs/dbraw/zinc/54/21/17/776542117.db2.gz PBJMCNFXQDAXBV-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001079816727 776931103 /nfs/dbraw/zinc/93/11/03/776931103.db2.gz QBCWCNFITLFNBF-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)[C@H](C1CC1)N(C)C)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001079944948 777123322 /nfs/dbraw/zinc/12/33/22/777123322.db2.gz AOUFUZWWNNDMKG-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)[C@H](C1CC1)N(C)C)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079944948 777123328 /nfs/dbraw/zinc/12/33/28/777123328.db2.gz AOUFUZWWNNDMKG-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079997646 777208320 /nfs/dbraw/zinc/20/83/20/777208320.db2.gz YWJFRUJCKHISKH-UHFFFAOYSA-N 1 3 326.485 0.728 20 0 ECADHO CCN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001080182473 777512815 /nfs/dbraw/zinc/51/28/15/777512815.db2.gz NHTLSLXRCUJUIG-UHFFFAOYSA-N 1 3 335.452 0.743 20 0 ECADHO CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080187724 777520125 /nfs/dbraw/zinc/52/01/25/777520125.db2.gz DAHUJFDMUWJIKC-JKSUJKDBSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001080189097 777521636 /nfs/dbraw/zinc/52/16/36/777521636.db2.gz FFAFIWTZHQHZNK-QGZVFWFLSA-N 1 3 340.512 0.974 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001080192573 777532051 /nfs/dbraw/zinc/53/20/51/777532051.db2.gz TUOGKFKCCHGZBX-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080380341 777771734 /nfs/dbraw/zinc/77/17/34/777771734.db2.gz QBUWFFIPOBFCHO-UHFFFAOYSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001080384016 777776760 /nfs/dbraw/zinc/77/67/60/777776760.db2.gz HIBIMQYZZIRCQZ-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080559685 778036319 /nfs/dbraw/zinc/03/63/19/778036319.db2.gz LMZCBJWNTNWGTO-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080559685 778036327 /nfs/dbraw/zinc/03/63/27/778036327.db2.gz LMZCBJWNTNWGTO-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080561346 778044441 /nfs/dbraw/zinc/04/44/41/778044441.db2.gz SLOZRHUNLQLUOU-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080561346 778044450 /nfs/dbraw/zinc/04/44/50/778044450.db2.gz SLOZRHUNLQLUOU-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N(C)C2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001043629941 778626743 /nfs/dbraw/zinc/62/67/43/778626743.db2.gz WBBIFCSEVYEOBN-WBVHZDCISA-N 1 3 339.480 0.665 20 0 ECADHO CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)OC ZINC001077779393 781681546 /nfs/dbraw/zinc/68/15/46/781681546.db2.gz KZMNNGGFFGHAJS-ARFHVFGLSA-N 1 3 327.469 0.305 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)cc1 ZINC001077838813 781802434 /nfs/dbraw/zinc/80/24/34/781802434.db2.gz OTWJNUHVJQJQEL-CGTJXYLNSA-N 1 3 347.459 0.560 20 0 ECADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001037933469 783711092 /nfs/dbraw/zinc/71/10/92/783711092.db2.gz LUABQVTYPIJTQU-HIFRSBDPSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070274163 783778301 /nfs/dbraw/zinc/77/83/01/783778301.db2.gz VLCBXVSYXRKGNV-UAGQMJEPSA-N 1 3 346.479 0.904 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071042710 784474274 /nfs/dbraw/zinc/47/42/74/784474274.db2.gz GFAQCCYBXVBVDQ-OAGGEKHMSA-N 1 3 325.453 0.059 20 0 ECADHO COCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN(C)C1CCC1)C[C@@H](C)O2 ZINC001071175115 784662178 /nfs/dbraw/zinc/66/21/78/784662178.db2.gz AUFDEMLGYHZYDR-CRAIPNDOSA-N 1 3 339.480 0.809 20 0 ECADHO COCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CN(C)C1CCC1)C[C@@H](C)O2 ZINC001071175115 784662182 /nfs/dbraw/zinc/66/21/82/784662182.db2.gz AUFDEMLGYHZYDR-CRAIPNDOSA-N 1 3 339.480 0.809 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001070865352 784767029 /nfs/dbraw/zinc/76/70/29/784767029.db2.gz RURIPXSOCLNBHM-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001070873817 784779095 /nfs/dbraw/zinc/77/90/95/784779095.db2.gz XIAWAENQYFFNBT-NVXWUHKLSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001072152271 785755214 /nfs/dbraw/zinc/75/52/14/785755214.db2.gz LWNBDLMABCDJFW-HOCLYGCPSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001072432430 786175397 /nfs/dbraw/zinc/17/53/97/786175397.db2.gz IZNSXCAYBNTJLK-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001073741882 787098309 /nfs/dbraw/zinc/09/83/09/787098309.db2.gz YTAVECUKXXNSCT-HZPDHXFCSA-N 1 3 327.469 0.308 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001073741882 787098316 /nfs/dbraw/zinc/09/83/16/787098316.db2.gz YTAVECUKXXNSCT-HZPDHXFCSA-N 1 3 327.469 0.308 20 0 ECADHO COC[C@@H](C)N1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755991 787135176 /nfs/dbraw/zinc/13/51/76/787135176.db2.gz PMPDEFQQGXFFBS-ZBFHGGJFSA-N 1 3 327.469 0.570 20 0 ECADHO CO[C@H](C)CN1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861472 787385824 /nfs/dbraw/zinc/38/58/24/787385824.db2.gz CVLAZFKMPCMJJV-CABCVRRESA-N 1 3 325.453 0.324 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)[C@@H]1C)N(C)C ZINC001074885711 788488033 /nfs/dbraw/zinc/48/80/33/788488033.db2.gz SQXOPPMTZBVLTJ-VGWMRTNUSA-N 1 3 338.496 0.915 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC3(C2)CCN(CCn2cncn2)C3)CC[N@@H+]1C ZINC001072917931 789109821 /nfs/dbraw/zinc/10/98/21/789109821.db2.gz JUNZLOOCYLIJKT-HOTGVXAUSA-N 1 3 346.479 0.543 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC3(C2)CCN(CCn2cncn2)C3)CC[N@H+]1C ZINC001072917931 789109826 /nfs/dbraw/zinc/10/98/26/789109826.db2.gz JUNZLOOCYLIJKT-HOTGVXAUSA-N 1 3 346.479 0.543 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001072979962 789203744 /nfs/dbraw/zinc/20/37/44/789203744.db2.gz SYMAKYGEVSPBHZ-HNNXBMFYSA-N 1 3 349.479 0.030 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001072979962 789203755 /nfs/dbraw/zinc/20/37/55/789203755.db2.gz SYMAKYGEVSPBHZ-HNNXBMFYSA-N 1 3 349.479 0.030 20 0 ECADHO CCN(CC)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073038677 789322120 /nfs/dbraw/zinc/32/21/20/789322120.db2.gz NXASFOYLNXGEGQ-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073038677 789322129 /nfs/dbraw/zinc/32/21/29/789322129.db2.gz NXASFOYLNXGEGQ-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073093252 789430114 /nfs/dbraw/zinc/43/01/14/789430114.db2.gz OVRSRGDADOWPPA-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073093252 789430117 /nfs/dbraw/zinc/43/01/17/789430117.db2.gz OVRSRGDADOWPPA-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)C45CC[NH+](CC4)C5)C3)C2)C1=O ZINC001073130415 789495075 /nfs/dbraw/zinc/49/50/75/789495075.db2.gz UIZUMHHJCLTXJV-OAHLLOKOSA-N 1 3 346.475 0.237 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001266807190 836328874 /nfs/dbraw/zinc/32/88/74/836328874.db2.gz FUONVROEXUZMHO-CVEARBPZSA-N 1 3 327.469 0.165 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNCCS(C)(=O)=O ZINC001266880198 836427660 /nfs/dbraw/zinc/42/76/60/836427660.db2.gz HTHOZJGURRSRTE-CQSZACIVSA-N 1 3 333.498 0.344 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNCCS(C)(=O)=O ZINC001266880198 836427663 /nfs/dbraw/zinc/42/76/63/836427663.db2.gz HTHOZJGURRSRTE-CQSZACIVSA-N 1 3 333.498 0.344 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCOCCO ZINC001266883581 836431382 /nfs/dbraw/zinc/43/13/82/836431382.db2.gz CJNXEDIXLAOYGO-SJORKVTESA-N 1 3 341.496 0.840 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001267005154 836603449 /nfs/dbraw/zinc/60/34/49/836603449.db2.gz VBBKIJVILOCMKP-UONOGXRCSA-N 1 3 333.498 0.055 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001267024758 836643267 /nfs/dbraw/zinc/64/32/67/836643267.db2.gz QEPGSRVYWGCNNJ-AWEZNQCLSA-N 1 3 341.500 0.616 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001408593483 837089060 /nfs/dbraw/zinc/08/90/60/837089060.db2.gz KKUKNOCBJNVJCJ-GASCZTMLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001408593483 837089065 /nfs/dbraw/zinc/08/90/65/837089065.db2.gz KKUKNOCBJNVJCJ-GASCZTMLSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CCNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001408669826 837918784 /nfs/dbraw/zinc/91/87/84/837918784.db2.gz TZGZVFUXCVDXRZ-AWEZNQCLSA-N 1 3 326.485 0.489 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000410463471 282182451 /nfs/dbraw/zinc/18/24/51/282182451.db2.gz BHUCSDWYQFNGTH-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000354668096 299090224 /nfs/dbraw/zinc/09/02/24/299090224.db2.gz XINNGGMOFKAKGF-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)N1CCC(C)CC1 ZINC000354675985 299093679 /nfs/dbraw/zinc/09/36/79/299093679.db2.gz HJDOUEMQUITSAH-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000425941041 210123607 /nfs/dbraw/zinc/12/36/07/210123607.db2.gz YLOPLVFOTDQERZ-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000425941041 210123611 /nfs/dbraw/zinc/12/36/11/210123611.db2.gz YLOPLVFOTDQERZ-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000355307866 299236317 /nfs/dbraw/zinc/23/63/17/299236317.db2.gz BYQGCNNLXIGEDQ-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355324372 299238829 /nfs/dbraw/zinc/23/88/29/299238829.db2.gz UFYRWWAIDPMXIP-UONOGXRCSA-N 1 3 326.485 0.632 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423420975 283232437 /nfs/dbraw/zinc/23/24/37/283232437.db2.gz XKHZUILDOLLBQC-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)N1CCN(C)CC1 ZINC000355485209 299258772 /nfs/dbraw/zinc/25/87/72/299258772.db2.gz YKQAMKXKVBAOMT-SJORKVTESA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)N1CCN(C)CC1 ZINC000355485209 299258773 /nfs/dbraw/zinc/25/87/73/299258773.db2.gz YKQAMKXKVBAOMT-SJORKVTESA-N 1 3 339.528 0.994 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000420428906 209364770 /nfs/dbraw/zinc/36/47/70/209364770.db2.gz LTULRDDLKRHNNY-SMDDNHRTSA-N 1 3 343.497 0.480 20 0 ECADHO CCCN(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420208844 209341896 /nfs/dbraw/zinc/34/18/96/209341896.db2.gz SHYZUGMMFVRYOD-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172043 209330109 /nfs/dbraw/zinc/33/01/09/209330109.db2.gz VCOLSDURZADAGE-ILXRZTDVSA-N 1 3 338.496 0.726 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000420135883 209316641 /nfs/dbraw/zinc/31/66/41/209316641.db2.gz CJKWZHNXNOWNJI-HUUCEWRRSA-N 1 3 326.485 0.953 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000420135883 209316645 /nfs/dbraw/zinc/31/66/45/209316645.db2.gz CJKWZHNXNOWNJI-HUUCEWRRSA-N 1 3 326.485 0.953 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)C1 ZINC000419125457 296028248 /nfs/dbraw/zinc/02/82/48/296028248.db2.gz UBAXZZFEJRXBJS-OAGGEKHMSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000132065693 223296908 /nfs/dbraw/zinc/29/69/08/223296908.db2.gz FLBMHNBATLEWPM-QGZVFWFLSA-N 1 3 336.436 0.116 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000419943266 209255509 /nfs/dbraw/zinc/25/55/09/209255509.db2.gz HAZYYRMJOSVAEY-INIZCTEOSA-N 1 3 348.491 0.857 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419909860 209246596 /nfs/dbraw/zinc/24/65/96/209246596.db2.gz ZLPKHQLCYBRIGH-CABCVRRESA-N 1 3 326.485 0.537 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419897468 209242416 /nfs/dbraw/zinc/24/24/16/209242416.db2.gz YYMKIWJDTGUKKS-HNNXBMFYSA-N 1 3 336.411 0.194 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419872525 209233793 /nfs/dbraw/zinc/23/37/93/209233793.db2.gz UJPGAYONSWSHAB-CQSZACIVSA-N 1 3 338.477 0.492 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C(C)C ZINC000419795300 209206611 /nfs/dbraw/zinc/20/66/11/209206611.db2.gz JOARFKOMHQQCHP-ZIAGYGMSSA-N 1 3 342.484 0.451 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000419785741 209204513 /nfs/dbraw/zinc/20/45/13/209204513.db2.gz ZJFKNCNIWZKQFU-RRFJBIMHSA-N 1 3 338.496 0.809 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419723085 209187853 /nfs/dbraw/zinc/18/78/53/209187853.db2.gz NJXMREUAYDJQKV-QGZVFWFLSA-N 1 3 344.459 0.635 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419720527 209186672 /nfs/dbraw/zinc/18/66/72/209186672.db2.gz IBWUVSVESUVXSH-QGZVFWFLSA-N 1 3 344.459 0.621 20 0 ECADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@@H](CN)C2CC2)cc1 ZINC000419713073 209183185 /nfs/dbraw/zinc/18/31/85/209183185.db2.gz QFYJXLFJBULNTM-INIZCTEOSA-N 1 3 332.448 0.260 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419699611 209177834 /nfs/dbraw/zinc/17/78/34/209177834.db2.gz WRCMSSKYQPYIKJ-GDBMZVCRSA-N 1 3 338.496 0.951 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000419645601 209156287 /nfs/dbraw/zinc/15/62/87/209156287.db2.gz PHGLRWCSGXKUMG-SJORKVTESA-N 1 3 346.475 0.998 20 0 ECADHO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)C1=CCN(C)CC1 ZINC000419621457 209147228 /nfs/dbraw/zinc/14/72/28/209147228.db2.gz FOTIEOZLFUUJNR-AWEZNQCLSA-N 1 3 336.480 0.921 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419591438 209134409 /nfs/dbraw/zinc/13/44/09/209134409.db2.gz VIVZJQBULQKONY-DOMZBBRYSA-N 1 3 330.498 0.030 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419594233 209134211 /nfs/dbraw/zinc/13/42/11/209134211.db2.gz URBOMEBRMDAGJE-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419590371 209134003 /nfs/dbraw/zinc/13/40/03/209134003.db2.gz QFAXSICFKQIDGY-CVEARBPZSA-N 1 3 332.448 0.793 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419587959 209133123 /nfs/dbraw/zinc/13/31/23/209133123.db2.gz NXMAHPZIIRWWOR-QKPAOTATSA-N 1 3 336.480 0.481 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419528992 209116697 /nfs/dbraw/zinc/11/66/97/209116697.db2.gz XGMOLHYMNMZBJB-HOCLYGCPSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423139189 284610565 /nfs/dbraw/zinc/61/05/65/284610565.db2.gz ZDXFAYFIJJHSMA-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000339576536 297360923 /nfs/dbraw/zinc/36/09/23/297360923.db2.gz JKPSWRVJWVCZIJ-UHFFFAOYSA-N 1 3 326.485 0.825 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1)C(C)C ZINC000339615852 297364899 /nfs/dbraw/zinc/36/48/99/297364899.db2.gz VCEBYNWUVWODEI-AWEZNQCLSA-N 1 3 326.485 0.820 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423399987 285037732 /nfs/dbraw/zinc/03/77/32/285037732.db2.gz WHODKTCVDAWJAO-KBPBESRZSA-N 1 3 335.452 0.717 20 0 ECADHO CC[C@H](C(=O)N[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000413438498 208325244 /nfs/dbraw/zinc/32/52/44/208325244.db2.gz QANOFZSXLWTBSO-RRFJBIMHSA-N 1 3 328.501 0.924 20 0 ECADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000413438498 208325251 /nfs/dbraw/zinc/32/52/51/208325251.db2.gz QANOFZSXLWTBSO-RRFJBIMHSA-N 1 3 328.501 0.924 20 0 ECADHO C[C@H](C(=O)NCCc1ccccc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430607388 210388165 /nfs/dbraw/zinc/38/81/65/210388165.db2.gz YLTGVRUHLCXOLR-WBVHZDCISA-N 1 3 346.475 0.521 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419153291 209003539 /nfs/dbraw/zinc/00/35/39/209003539.db2.gz PEWOWDLWZDNXNK-HNNXBMFYSA-N 1 3 348.447 0.097 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCCNCC1 ZINC000419158824 209005515 /nfs/dbraw/zinc/00/55/15/209005515.db2.gz YJSAMSYDFORYLL-UHFFFAOYSA-N 1 3 348.447 0.065 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000419157504 209006029 /nfs/dbraw/zinc/00/60/29/209006029.db2.gz LFRCJAHFHMDGFT-OWCLPIDISA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)([NH3+])CNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419430064 209094403 /nfs/dbraw/zinc/09/44/03/209094403.db2.gz VQEXIOVMGGSWBT-UHFFFAOYSA-N 1 3 332.448 0.405 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC(=O)NC ZINC000459105826 285245060 /nfs/dbraw/zinc/24/50/60/285245060.db2.gz PGFJYYUBHBTKFN-HUUCEWRRSA-N 1 3 341.500 0.569 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC(=O)NC ZINC000459105826 285245063 /nfs/dbraw/zinc/24/50/63/285245063.db2.gz PGFJYYUBHBTKFN-HUUCEWRRSA-N 1 3 341.500 0.569 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN2CCC[C@H](CC[NH3+])C2)CC1 ZINC000496282405 255087707 /nfs/dbraw/zinc/08/77/07/255087707.db2.gz IURFHRKEGHFDSJ-CQSZACIVSA-N 1 3 326.441 0.348 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000419221001 209030915 /nfs/dbraw/zinc/03/09/15/209030915.db2.gz ALSQUICETRVNOH-HOCLYGCPSA-N 1 3 332.448 0.478 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419225547 209031589 /nfs/dbraw/zinc/03/15/89/209031589.db2.gz HLYQVXRZTAIOFL-CVEARBPZSA-N 1 3 336.480 0.625 20 0 ECADHO Cn1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2cccnc2)n1 ZINC000262082783 165287851 /nfs/dbraw/zinc/28/78/51/165287851.db2.gz FMCACFYHJGSKKV-QGZVFWFLSA-N 1 3 326.448 0.962 20 0 ECADHO COC(=O)COc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262153500 165300154 /nfs/dbraw/zinc/30/01/54/165300154.db2.gz RPJXWQUACXZNGG-MRXNPFEDSA-N 1 3 333.432 0.718 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000262311974 165327862 /nfs/dbraw/zinc/32/78/62/165327862.db2.gz APBYRNHPSRNVQH-OAHLLOKOSA-N 1 3 326.485 0.145 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000262515526 165357586 /nfs/dbraw/zinc/35/75/86/165357586.db2.gz RVMCYENGXSFMNV-PQAIKRCPSA-N 1 3 348.491 0.718 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000262515524 165357758 /nfs/dbraw/zinc/35/77/58/165357758.db2.gz RVMCYENGXSFMNV-BJCAYOAGSA-N 1 3 348.491 0.718 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1=O ZINC000262848815 165395263 /nfs/dbraw/zinc/39/52/63/165395263.db2.gz JUWIWQYREVRVNZ-ZJIFWQFVSA-N 1 3 336.480 0.576 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000351789290 298839518 /nfs/dbraw/zinc/83/95/18/298839518.db2.gz LDHMQFOLYLLGBU-INIZCTEOSA-N 1 3 338.496 0.731 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419405462 209083099 /nfs/dbraw/zinc/08/30/99/209083099.db2.gz HMPMMKMPFNNRBL-INIZCTEOSA-N 1 3 338.496 0.858 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419405464 209083155 /nfs/dbraw/zinc/08/31/55/209083155.db2.gz HMPMMKMPFNNRBL-MRXNPFEDSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419407997 209084563 /nfs/dbraw/zinc/08/45/63/209084563.db2.gz LEKYWPKLEJKWMB-ZBFHGGJFSA-N 1 3 338.496 0.858 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000419407668 209084646 /nfs/dbraw/zinc/08/46/46/209084646.db2.gz KSYPGTBKKCQTAF-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1CN ZINC000419384318 287325012 /nfs/dbraw/zinc/32/50/12/287325012.db2.gz KDRPQRFSGNCKSN-SDKNFDLMSA-N 1 3 336.480 0.704 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1CN ZINC000419384318 287325014 /nfs/dbraw/zinc/32/50/14/287325014.db2.gz KDRPQRFSGNCKSN-SDKNFDLMSA-N 1 3 336.480 0.704 20 0 ECADHO CO[C@@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C[NH3+])C1 ZINC000359237866 299826566 /nfs/dbraw/zinc/82/65/66/299826566.db2.gz MSSMQUKFHXUMHW-HZPDHXFCSA-N 1 3 339.480 0.986 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccnn1C ZINC000173949172 263149395 /nfs/dbraw/zinc/14/93/95/263149395.db2.gz LMFAMGOKKQGAGS-INIZCTEOSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccnn1C ZINC000173949172 263149396 /nfs/dbraw/zinc/14/93/96/263149396.db2.gz LMFAMGOKKQGAGS-INIZCTEOSA-N 1 3 336.484 0.978 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000269866372 263209491 /nfs/dbraw/zinc/20/94/91/263209491.db2.gz SNHVYSNABAFJPG-FUHWJXTLSA-N 1 3 334.464 0.873 20 0 ECADHO CCN(C)CCNC(=O)c1ccoc1CC(=O)NCC[N@H+](C)CC ZINC000270966493 263289278 /nfs/dbraw/zinc/28/92/78/263289278.db2.gz ILLSSNFPPFYQOC-UHFFFAOYSA-N 1 3 338.452 0.572 20 0 ECADHO CCN(C)CCNC(=O)c1ccoc1CC(=O)NCC[N@@H+](C)CC ZINC000270966493 263289279 /nfs/dbraw/zinc/28/92/79/263289279.db2.gz ILLSSNFPPFYQOC-UHFFFAOYSA-N 1 3 338.452 0.572 20 0 ECADHO CCN(C)CCNC(=O)Cc1occc1C(=O)NCC[N@H+](C)CC ZINC000270966493 263289280 /nfs/dbraw/zinc/28/92/80/263289280.db2.gz ILLSSNFPPFYQOC-UHFFFAOYSA-N 1 3 338.452 0.572 20 0 ECADHO CCN(C)CCNC(=O)Cc1occc1C(=O)NCC[N@@H+](C)CC ZINC000270966493 263289281 /nfs/dbraw/zinc/28/92/81/263289281.db2.gz ILLSSNFPPFYQOC-UHFFFAOYSA-N 1 3 338.452 0.572 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000285082338 264276225 /nfs/dbraw/zinc/27/62/25/264276225.db2.gz MKDJMHMNOCDRRK-DOTOQJQBSA-N 1 3 348.491 0.732 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419882763 274507930 /nfs/dbraw/zinc/50/79/30/274507930.db2.gz ISCQZRHUVYPIJT-XHSDSOJGSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433480053 276008532 /nfs/dbraw/zinc/00/85/32/276008532.db2.gz JVUGIIRCGODJNY-QGZVFWFLSA-N 1 3 334.468 0.478 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418950071 276102142 /nfs/dbraw/zinc/10/21/42/276102142.db2.gz SEWNUIJTZVPIQI-ZBFHGGJFSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414876246 277079438 /nfs/dbraw/zinc/07/94/38/277079438.db2.gz KHZFCPBWHTWHGW-LBPRGKRZSA-N 1 3 334.395 0.620 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000415367822 277299289 /nfs/dbraw/zinc/29/92/89/277299289.db2.gz YXQKPHNDZBCIIG-HNNXBMFYSA-N 1 3 332.448 0.940 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000261837144 277903931 /nfs/dbraw/zinc/90/39/31/277903931.db2.gz IMEUNYDVQZYSDF-QRTARXTBSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@@H]1C[C@H](CCNC(=O)C(=O)N(C)CCN)C[N@@H+]1Cc1ccccc1 ZINC000419482195 278009797 /nfs/dbraw/zinc/00/97/97/278009797.db2.gz XXHVLNSHVTXTJB-WBVHZDCISA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H]1C[C@H](CCNC(=O)C(=O)N(C)CCN)C[N@H+]1Cc1ccccc1 ZINC000419482195 278009800 /nfs/dbraw/zinc/00/98/00/278009800.db2.gz XXHVLNSHVTXTJB-WBVHZDCISA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340209215 437600777 /nfs/dbraw/zinc/60/07/77/437600777.db2.gz JLEIQWBVSSJLLV-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422188973 279113953 /nfs/dbraw/zinc/11/39/53/279113953.db2.gz MNYIULFNWFSKPO-HUUCEWRRSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419718570 279135554 /nfs/dbraw/zinc/13/55/54/279135554.db2.gz DTGGYCVDYPQLHE-GFCCVEGCSA-N 1 3 326.485 0.901 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419173471 280234405 /nfs/dbraw/zinc/23/44/05/280234405.db2.gz VFQZANSRQYQTOG-IRXDYDNUSA-N 1 3 346.475 0.737 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419379378 280239467 /nfs/dbraw/zinc/23/94/67/280239467.db2.gz WQUSTAFZWIHYBL-CVEARBPZSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418385990 280284578 /nfs/dbraw/zinc/28/45/78/280284578.db2.gz MINNHPXPYLGUPJ-GDBMZVCRSA-N 1 3 325.501 0.780 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000422384435 282064048 /nfs/dbraw/zinc/06/40/48/282064048.db2.gz WZXLFJFOWILKNJ-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343641786 437610194 /nfs/dbraw/zinc/61/01/94/437610194.db2.gz OLWWVAVPQAZVGN-AWEZNQCLSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000343641786 437610199 /nfs/dbraw/zinc/61/01/99/437610199.db2.gz OLWWVAVPQAZVGN-AWEZNQCLSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C[C@@H]1[NH+](C)C ZINC000343639036 437610592 /nfs/dbraw/zinc/61/05/92/437610592.db2.gz LCEYNMCOENOQPE-YCPHGPKFSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1([NH3+])CCC1 ZINC000417427311 289019411 /nfs/dbraw/zinc/01/94/11/289019411.db2.gz ITFKLTCGHOEEIT-CYBMUJFWSA-N 1 3 325.457 0.110 20 0 ECADHO CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1 ZINC000154528256 289157137 /nfs/dbraw/zinc/15/71/37/289157137.db2.gz JPBIKNNKCRFXCF-DLBZAZTESA-N 1 3 346.475 0.816 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCN(C)CC2)CC1 ZINC000332322971 297031298 /nfs/dbraw/zinc/03/12/98/297031298.db2.gz MLQPHLNTXREJIK-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)C(C)C ZINC000343660511 437617928 /nfs/dbraw/zinc/61/79/28/437617928.db2.gz CBNLMTDJKMMDAT-OAHLLOKOSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)C(C)C ZINC000343660511 437617933 /nfs/dbraw/zinc/61/79/33/437617933.db2.gz CBNLMTDJKMMDAT-OAHLLOKOSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCN1C ZINC000332486390 297044708 /nfs/dbraw/zinc/04/47/08/297044708.db2.gz NQNZXMZVHOHMQO-QXSJWSMHSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCN1C ZINC000332486390 297044709 /nfs/dbraw/zinc/04/47/09/297044709.db2.gz NQNZXMZVHOHMQO-QXSJWSMHSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)CC1 ZINC000332616387 297058954 /nfs/dbraw/zinc/05/89/54/297058954.db2.gz SJPXETVVOYSCGJ-GDBMZVCRSA-N 1 3 336.480 0.671 20 0 ECADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN2CCC[C@H]2C1 ZINC000333013581 297100240 /nfs/dbraw/zinc/10/02/40/297100240.db2.gz PXZRRZLXTPEELY-GVDBMIGSSA-N 1 3 336.480 0.854 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2N)cn1 ZINC000333568949 297142613 /nfs/dbraw/zinc/14/26/13/297142613.db2.gz MDRNPVTXESQNHQ-XUWVNRHRSA-N 1 3 334.468 0.729 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@](F)(CO)C3)CC2)CC1 ZINC000338702312 297290092 /nfs/dbraw/zinc/29/00/92/297290092.db2.gz AENWSDWKNRFYLK-KRWDZBQOSA-N 1 3 342.459 0.661 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000339578580 297361633 /nfs/dbraw/zinc/36/16/33/297361633.db2.gz PMKCFXGDPLFKNK-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000339745941 297377080 /nfs/dbraw/zinc/37/70/80/297377080.db2.gz STUVMUTWSZPYQR-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000345787892 298193349 /nfs/dbraw/zinc/19/33/49/298193349.db2.gz OCEPIJLLCRVECB-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)c1ccnc(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000346183018 298234077 /nfs/dbraw/zinc/23/40/77/298234077.db2.gz MTNTWHSONGOFSZ-OLZOCXBDSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](CN(C)C)NC(=O)c1ccnc(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000346183018 298234081 /nfs/dbraw/zinc/23/40/81/298234081.db2.gz MTNTWHSONGOFSZ-OLZOCXBDSA-N 1 3 335.452 0.441 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1=O ZINC000346345328 298262687 /nfs/dbraw/zinc/26/26/87/298262687.db2.gz VDZRXIRDHSHUER-CVEARBPZSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000346530852 298287720 /nfs/dbraw/zinc/28/77/20/298287720.db2.gz DIZDEHQNICMSOE-OIISXLGYSA-N 1 3 348.491 0.672 20 0 ECADHO CN1CCN(CC2(C)CC[NH+](CCCS(N)(=O)=O)CC2)CC1 ZINC000348850563 298629107 /nfs/dbraw/zinc/62/91/07/298629107.db2.gz VHIQTVAVWIJOEY-UHFFFAOYSA-N 1 3 332.514 0.015 20 0 ECADHO CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000352090764 298883400 /nfs/dbraw/zinc/88/34/00/298883400.db2.gz CKWFIJSJPPZOSI-IIAWOOMASA-N 1 3 342.484 0.092 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000352095981 298884127 /nfs/dbraw/zinc/88/41/27/298884127.db2.gz CNZZKZBBUHBAND-NVXWUHKLSA-N 1 3 334.464 0.375 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000362565172 300199223 /nfs/dbraw/zinc/19/92/23/300199223.db2.gz RSVMDDGCPLTYQZ-KBPBESRZSA-N 1 3 333.436 0.281 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[C@H](CN2CCOCC2)C1 ZINC000362565175 300199409 /nfs/dbraw/zinc/19/94/09/300199409.db2.gz RSVMDDGCPLTYQZ-ZIAGYGMSSA-N 1 3 333.436 0.281 20 0 ECADHO CCN1CCN(CCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362565432 300199481 /nfs/dbraw/zinc/19/94/81/300199481.db2.gz UFBKZWPOEMZTBP-CQSZACIVSA-N 1 3 334.468 0.244 20 0 ECADHO CNC(=O)c1cccc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000072961687 436063821 /nfs/dbraw/zinc/06/38/21/436063821.db2.gz IGWMUWCCERSULP-UHFFFAOYSA-N 1 3 346.475 0.936 20 0 ECADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCOCC1 ZINC000073215187 436071847 /nfs/dbraw/zinc/07/18/47/436071847.db2.gz HXDMZDZUDSKEEM-CABCVRRESA-N 1 3 340.468 0.260 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)CN1CCN(C)CC1 ZINC000074656609 436131356 /nfs/dbraw/zinc/13/13/56/436131356.db2.gz UQIPCABOUTUABW-IRXDYDNUSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000074160784 436109961 /nfs/dbraw/zinc/10/99/61/436109961.db2.gz GEMZAGSMHUEPSB-HZPDHXFCSA-N 1 3 325.501 0.511 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000074160784 436109965 /nfs/dbraw/zinc/10/99/65/436109965.db2.gz GEMZAGSMHUEPSB-HZPDHXFCSA-N 1 3 325.501 0.511 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000377608588 301364893 /nfs/dbraw/zinc/36/48/93/301364893.db2.gz SIVRHURDJZFRCR-QGZVFWFLSA-N 1 3 340.512 0.582 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000377608588 301364897 /nfs/dbraw/zinc/36/48/97/301364897.db2.gz SIVRHURDJZFRCR-QGZVFWFLSA-N 1 3 340.512 0.582 20 0 ECADHO CN(CCCN(C)[C@@H]1CCN(C2CCOCC2)C1=O)CC[NH+](C)C ZINC000377608588 301364900 /nfs/dbraw/zinc/36/49/00/301364900.db2.gz SIVRHURDJZFRCR-QGZVFWFLSA-N 1 3 340.512 0.582 20 0 ECADHO CN1CC[C@@H](C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)[C@H]1c1ccccc1 ZINC000377764128 301374234 /nfs/dbraw/zinc/37/42/34/301374234.db2.gz SMOJZEZFGCFCQV-DOTOQJQBSA-N 1 3 342.443 0.867 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000080114856 436313101 /nfs/dbraw/zinc/31/31/01/436313101.db2.gz FXQMHYREOHUYGA-UHFFFAOYSA-N 1 3 336.436 0.633 20 0 ECADHO CN1CCN(CC2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)CC1 ZINC000516293639 301662787 /nfs/dbraw/zinc/66/27/87/301662787.db2.gz LOFIQVPVZNHBQT-IEBWSBKVSA-N 1 3 334.508 0.862 20 0 ECADHO Cc1cccn2c(=O)c(C(=O)N(CCN(C)C)CC[NH+](C)C)cnc12 ZINC000091048248 436439722 /nfs/dbraw/zinc/43/97/22/436439722.db2.gz DMOSEWUGXJJWQB-UHFFFAOYSA-N 1 3 345.447 0.568 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000521875247 301794005 /nfs/dbraw/zinc/79/40/05/301794005.db2.gz WFAPEYNHIXNEMO-STQMWFEESA-N 1 3 340.493 0.880 20 0 ECADHO CCOC(=O)NCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050799866 436477885 /nfs/dbraw/zinc/47/78/85/436477885.db2.gz QMGGNXBATHZTBU-UHFFFAOYSA-N 1 3 340.468 0.797 20 0 ECADHO COC(=O)NC(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000104345998 436559013 /nfs/dbraw/zinc/55/90/13/436559013.db2.gz PIGHSRLNADEZEP-UHFFFAOYSA-N 1 3 340.468 0.796 20 0 ECADHO COC(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000104534015 436559429 /nfs/dbraw/zinc/55/94/29/436559429.db2.gz VTJWFIIVNKSBIT-CQSZACIVSA-N 1 3 328.457 0.417 20 0 ECADHO CCN1CCN(CCNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000112918381 436634313 /nfs/dbraw/zinc/63/43/13/436634313.db2.gz LEWKRLIZBBHJSV-UHFFFAOYSA-N 1 3 348.491 0.994 20 0 ECADHO Cc1sc(=O)n(CCC(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000115371153 436646503 /nfs/dbraw/zinc/64/65/03/436646503.db2.gz UPWXJCZJAREXKD-UHFFFAOYSA-N 1 3 342.509 0.869 20 0 ECADHO CCN1CCC(NC(=O)CN2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000115548585 436647885 /nfs/dbraw/zinc/64/78/85/436647885.db2.gz YLIXIOKCJNEXGG-UHFFFAOYSA-N 1 3 340.512 0.366 20 0 ECADHO CCN1CCC(NC(=O)CN2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000115548585 436647887 /nfs/dbraw/zinc/64/78/87/436647887.db2.gz YLIXIOKCJNEXGG-UHFFFAOYSA-N 1 3 340.512 0.366 20 0 ECADHO Cc1cccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000550455192 302346372 /nfs/dbraw/zinc/34/63/72/302346372.db2.gz LLALHMIEBAUICF-UHFFFAOYSA-N 1 3 334.464 0.563 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000121732035 436723207 /nfs/dbraw/zinc/72/32/07/436723207.db2.gz BNRKLXNKOANTAF-UXLLHSPISA-N 1 3 328.501 0.966 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000121732035 436723208 /nfs/dbraw/zinc/72/32/08/436723208.db2.gz BNRKLXNKOANTAF-UXLLHSPISA-N 1 3 328.501 0.966 20 0 ECADHO C[NH+](C)CCN1CCC(CNC(=O)c2csc(CN)n2)CC1 ZINC000237157283 436724943 /nfs/dbraw/zinc/72/49/43/436724943.db2.gz UQVDIGYICNYZFY-UHFFFAOYSA-N 1 3 325.482 0.605 20 0 ECADHO O=C(CCC1CC[NH2+]CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000237947117 436749249 /nfs/dbraw/zinc/74/92/49/436749249.db2.gz HTKXJCSDYULGFV-UHFFFAOYSA-N 1 3 336.480 0.533 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000153297658 436753379 /nfs/dbraw/zinc/75/33/79/436753379.db2.gz DJGZWNXHIZHEJF-UHFFFAOYSA-N 1 3 339.415 0.882 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000155883113 436806093 /nfs/dbraw/zinc/80/60/93/436806093.db2.gz WYOZQDSDDHUBHH-GASCZTMLSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000155883113 436806096 /nfs/dbraw/zinc/80/60/96/436806096.db2.gz WYOZQDSDDHUBHH-GASCZTMLSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CCC[C@H]1C(=O)NCC[N@H+](C)CC ZINC000155883113 436806099 /nfs/dbraw/zinc/80/60/99/436806099.db2.gz WYOZQDSDDHUBHH-GASCZTMLSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000155883113 436806102 /nfs/dbraw/zinc/80/61/02/436806102.db2.gz WYOZQDSDDHUBHH-GASCZTMLSA-N 1 3 326.485 0.539 20 0 ECADHO CCOC[C@H](O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130669405 436839971 /nfs/dbraw/zinc/83/99/71/436839971.db2.gz SLGBRXZTXKHRPO-MRXNPFEDSA-N 1 3 343.512 0.800 20 0 ECADHO CN(C)C/C=C/C(=O)Nc1cc(CNC(=O)/C=C/C[NH+](C)C)ccn1 ZINC000274729632 436867536 /nfs/dbraw/zinc/86/75/36/436867536.db2.gz DEFBEVMBEDWLHD-KQQUZDAGSA-N 1 3 345.447 0.872 20 0 ECADHO CN(C)C/C=C/C(=O)NCc1ccnc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000274729632 436867538 /nfs/dbraw/zinc/86/75/38/436867538.db2.gz DEFBEVMBEDWLHD-KQQUZDAGSA-N 1 3 345.447 0.872 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)CN1CC[C@](C)(C(N)=O)C1)c1ccccc1 ZINC000280854086 436927581 /nfs/dbraw/zinc/92/75/81/436927581.db2.gz YIAKWFHPFCUWMJ-QAPCUYQASA-N 1 3 332.448 0.603 20 0 ECADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000162371258 436905105 /nfs/dbraw/zinc/90/51/05/436905105.db2.gz HJDHWTKTVKOPDK-BZPMIXESSA-N 1 3 330.454 0.412 20 0 ECADHO CC(=O)N1CCCN(CCCC[N@@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000172648560 437024115 /nfs/dbraw/zinc/02/41/15/437024115.db2.gz KCIBHSKKKWJNSM-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO CC(=O)N1CCCN(CCCC[N@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000172648560 437024118 /nfs/dbraw/zinc/02/41/18/437024118.db2.gz KCIBHSKKKWJNSM-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)N(C)C1CC1 ZINC000303987638 437158000 /nfs/dbraw/zinc/15/80/00/437158000.db2.gz JIGQLQOETXXPTL-GDBMZVCRSA-N 1 3 326.485 0.861 20 0 ECADHO CN(C)C1CN(c2nc3ncccc3nc2N2CC([NH+](C)C)C2)C1 ZINC000302113813 437138596 /nfs/dbraw/zinc/13/85/96/437138596.db2.gz BSLQQTZOUVYHNO-UHFFFAOYSA-N 1 3 327.436 0.525 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333362604 437267857 /nfs/dbraw/zinc/26/78/57/437267857.db2.gz LHMWRFKCOQUORP-IRXDYDNUSA-N 1 3 337.512 0.940 20 0 ECADHO CN1CCN(CCCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000325970259 437233320 /nfs/dbraw/zinc/23/33/20/437233320.db2.gz VEIFQJLVQMYXGB-HDMKZQKVSA-N 1 3 338.496 0.273 20 0 ECADHO C[C@H](N)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000178881177 437234763 /nfs/dbraw/zinc/23/47/63/437234763.db2.gz HCLFINRCYGANPJ-JKSUJKDBSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@H]([NH3+])C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000178881177 437234766 /nfs/dbraw/zinc/23/47/66/437234766.db2.gz HCLFINRCYGANPJ-JKSUJKDBSA-N 1 3 331.464 0.789 20 0 ECADHO CCN1CCN(CCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000278473412 437315165 /nfs/dbraw/zinc/31/51/65/437315165.db2.gz HXSFBENHYJOZRR-UHFFFAOYSA-N 1 3 344.459 0.900 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000337262453 437346781 /nfs/dbraw/zinc/34/67/81/437346781.db2.gz YXCSKVDLKOVQRI-MRXNPFEDSA-N 1 3 346.541 0.403 20 0 ECADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000337262453 437346785 /nfs/dbraw/zinc/34/67/85/437346785.db2.gz YXCSKVDLKOVQRI-MRXNPFEDSA-N 1 3 346.541 0.403 20 0 ECADHO CC(C)N1CCN(CCC[NH2+][C@@H](CC(N)=O)C2CCOCC2)CC1 ZINC000337312229 437348036 /nfs/dbraw/zinc/34/80/36/437348036.db2.gz DUQZHZMCZZIZBE-KRWDZBQOSA-N 1 3 340.512 0.663 20 0 ECADHO CN1CCC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000338292950 437403676 /nfs/dbraw/zinc/40/36/76/437403676.db2.gz DECVTGRHACQBAR-UHFFFAOYSA-N 1 3 337.512 0.938 20 0 ECADHO COC(=O)CNC(=O)CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750293 437449626 /nfs/dbraw/zinc/44/96/26/437449626.db2.gz NPFWDFUYSSJVRQ-UONOGXRCSA-N 1 3 325.453 0.908 20 0 ECADHO COC(=O)CNC(=O)CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750293 437449628 /nfs/dbraw/zinc/44/96/28/437449628.db2.gz NPFWDFUYSSJVRQ-UONOGXRCSA-N 1 3 325.453 0.908 20 0 ECADHO COC(=O)CNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185750293 437449630 /nfs/dbraw/zinc/44/96/30/437449630.db2.gz NPFWDFUYSSJVRQ-UONOGXRCSA-N 1 3 325.453 0.908 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H](C[NH3+])OC)CC1 ZINC000290096148 437462616 /nfs/dbraw/zinc/46/26/16/437462616.db2.gz JQRKVXNFBRIWET-KRWDZBQOSA-N 1 3 334.464 0.414 20 0 ECADHO CCN(CCO)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000187307482 437498321 /nfs/dbraw/zinc/49/83/21/437498321.db2.gz JRDAPDQXVURAAR-OAHLLOKOSA-N 1 3 342.484 0.101 20 0 ECADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343218569 437538136 /nfs/dbraw/zinc/53/81/36/437538136.db2.gz SWYFFNDBEGHWDW-MSOLQXFVSA-N 1 3 330.476 0.665 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000339670758 437488867 /nfs/dbraw/zinc/48/88/67/437488867.db2.gz RIDJCIQSPMMHAT-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(CC1(CO)CC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000187090598 437492377 /nfs/dbraw/zinc/49/23/77/437492377.db2.gz MDJNQTAZNQIZPI-UHFFFAOYSA-N 1 3 338.496 0.959 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000343291456 437548409 /nfs/dbraw/zinc/54/84/09/437548409.db2.gz ZFUKXWBSHZECJZ-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000343686017 437627634 /nfs/dbraw/zinc/62/76/34/437627634.db2.gz IYUAIYBUBUKLBK-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000343686017 437627640 /nfs/dbraw/zinc/62/76/40/437627640.db2.gz IYUAIYBUBUKLBK-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1=CCN(C)CC1 ZINC000340480191 437660595 /nfs/dbraw/zinc/66/05/95/437660595.db2.gz XTEQUHSHMGBDDY-IMJJTQAJSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1=CCN(C)CC1 ZINC000340480191 437660597 /nfs/dbraw/zinc/66/05/97/437660597.db2.gz XTEQUHSHMGBDDY-IMJJTQAJSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000340507416 437676042 /nfs/dbraw/zinc/67/60/42/437676042.db2.gz UJKXJWQTIOUPBE-BBRMVZONSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1=CCN(C)CC1 ZINC000340517492 437682135 /nfs/dbraw/zinc/68/21/35/437682135.db2.gz QUIQBNYEPAXAOR-ZIAGYGMSSA-N 1 3 334.464 0.354 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1=CCN(C)CC1 ZINC000340517492 437682139 /nfs/dbraw/zinc/68/21/39/437682139.db2.gz QUIQBNYEPAXAOR-ZIAGYGMSSA-N 1 3 334.464 0.354 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCC1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000355868642 437737531 /nfs/dbraw/zinc/73/75/31/437737531.db2.gz YKWQPOVZRSVRFQ-CQSZACIVSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415547143 437817668 /nfs/dbraw/zinc/81/76/68/437817668.db2.gz YUACQYBFMMMJAP-ZIAGYGMSSA-N 1 3 348.447 0.761 20 0 ECADHO CC(C)N1CCN(C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC1 ZINC000341029024 437779941 /nfs/dbraw/zinc/77/99/41/437779941.db2.gz ULGABWIHIMNZBN-GOSISDBHSA-N 1 3 335.496 0.734 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)CC1=O ZINC000356547349 437783817 /nfs/dbraw/zinc/78/38/17/437783817.db2.gz LAROSCFDWBLVNC-YQQAZPJKSA-N 1 3 348.491 0.672 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)CC1=O ZINC000356547349 437783822 /nfs/dbraw/zinc/78/38/22/437783822.db2.gz LAROSCFDWBLVNC-YQQAZPJKSA-N 1 3 348.491 0.672 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000415337993 437784749 /nfs/dbraw/zinc/78/47/49/437784749.db2.gz UNRDQGFCPZFLEY-OAHLLOKOSA-N 1 3 345.447 0.245 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000341047988 437785332 /nfs/dbraw/zinc/78/53/32/437785332.db2.gz GLUROSFWIJNFHW-CVEARBPZSA-N 1 3 327.517 0.899 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC[NH2+]C)cc2)CC1 ZINC000415355829 437788324 /nfs/dbraw/zinc/78/83/24/437788324.db2.gz DMRIGIXQQMKCCV-UHFFFAOYSA-N 1 3 347.463 0.098 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415363665 437790166 /nfs/dbraw/zinc/79/01/66/437790166.db2.gz FBFUQBUPEOBDPY-UHFFFAOYSA-N 1 3 336.436 0.600 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000415367551 437791778 /nfs/dbraw/zinc/79/17/78/437791778.db2.gz KHBUJROXCDJLBG-UHFFFAOYSA-N 1 3 336.436 0.600 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000415383923 437794239 /nfs/dbraw/zinc/79/42/39/437794239.db2.gz YMXILPJAEMJZLK-HNNXBMFYSA-N 1 3 348.447 0.776 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000423666915 437798194 /nfs/dbraw/zinc/79/81/94/437798194.db2.gz NFCOBZBPUVIISS-QGZVFWFLSA-N 1 3 346.475 0.774 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000423666915 437798202 /nfs/dbraw/zinc/79/82/02/437798202.db2.gz NFCOBZBPUVIISS-QGZVFWFLSA-N 1 3 346.475 0.774 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415430560 437803115 /nfs/dbraw/zinc/80/31/15/437803115.db2.gz CNLLBLJXSXYKCN-OAHLLOKOSA-N 1 3 336.436 0.665 20 0 ECADHO O=C(C[C@H]1CNCCO1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000370588479 437808612 /nfs/dbraw/zinc/80/86/12/437808612.db2.gz KNQVLPMTCAYCJM-KGLIPLIRSA-N 1 3 347.415 0.912 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423724706 437813592 /nfs/dbraw/zinc/81/35/92/437813592.db2.gz MWVQJSJLLZEZQZ-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415859488 437872141 /nfs/dbraw/zinc/87/21/41/437872141.db2.gz ATBBARJSEFEVNZ-OAHLLOKOSA-N 1 3 332.448 0.988 20 0 ECADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000341950559 437929758 /nfs/dbraw/zinc/92/97/58/437929758.db2.gz IMXGTFNTHWDPPF-SQNIBIBYSA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC(N)=O)CCN1Cc1ccccc1 ZINC000365562020 437931867 /nfs/dbraw/zinc/93/18/67/437931867.db2.gz BVHAQLWPVBPTHR-ZBFHGGJFSA-N 1 3 332.448 0.702 20 0 ECADHO [NH3+][C@H]1CCc2ncc(NC(=O)NCCNc3ccncc3)cc2C1 ZINC000415966169 437883311 /nfs/dbraw/zinc/88/33/11/437883311.db2.gz VUXOYALOWOTICP-ZDUSSCGKSA-N 1 3 326.404 0.948 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)CC1=O ZINC000424081583 437885489 /nfs/dbraw/zinc/88/54/89/437885489.db2.gz VUMATVSMTHIVTA-GJZGRUSLSA-N 1 3 330.432 0.313 20 0 ECADHO O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@H]1C[C@H](O)CN1 ZINC000365328478 437895166 /nfs/dbraw/zinc/89/51/66/437895166.db2.gz SEFIAXYXCYOZOD-SOUVJXGZSA-N 1 3 333.388 0.257 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000371231975 437903130 /nfs/dbraw/zinc/90/31/30/437903130.db2.gz YMYNCPFKSUDLTO-QGZVFWFLSA-N 1 3 346.475 0.633 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1=O ZINC000371226773 437903375 /nfs/dbraw/zinc/90/33/75/437903375.db2.gz CLYSBVYQOSGUNI-BZUAXINKSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(N(C)C)CC2)CC1=O ZINC000416299473 437907856 /nfs/dbraw/zinc/90/78/56/437907856.db2.gz GFMOJDONBUFWMS-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(N(C)C)CC2)CC1=O ZINC000416299473 437907863 /nfs/dbraw/zinc/90/78/63/437907863.db2.gz GFMOJDONBUFWMS-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424457199 437942149 /nfs/dbraw/zinc/94/21/49/437942149.db2.gz YOUOGVFDZBEXAH-KFWWJZLASA-N 1 3 339.484 0.498 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1NCCc2ccccc21 ZINC000357240582 437942641 /nfs/dbraw/zinc/94/26/41/437942641.db2.gz LPGXUCGUBMAKAD-HOTGVXAUSA-N 1 3 330.432 0.248 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000342039922 437947391 /nfs/dbraw/zinc/94/73/91/437947391.db2.gz OWQPLLFMYNGSCY-ZBFHGGJFSA-N 1 3 336.480 0.744 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000342039922 437947400 /nfs/dbraw/zinc/94/74/00/437947400.db2.gz OWQPLLFMYNGSCY-ZBFHGGJFSA-N 1 3 336.480 0.744 20 0 ECADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC(C)(C)CN(C)C ZINC000416509982 437948829 /nfs/dbraw/zinc/94/88/29/437948829.db2.gz SUFGBNDMIZPHRR-UHFFFAOYSA-N 1 3 345.513 0.680 20 0 ECADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424482692 437952554 /nfs/dbraw/zinc/95/25/54/437952554.db2.gz VCQNIQCFLCHVNX-VNQPRFMTSA-N 1 3 336.484 0.977 20 0 ECADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424482692 437952560 /nfs/dbraw/zinc/95/25/60/437952560.db2.gz VCQNIQCFLCHVNX-VNQPRFMTSA-N 1 3 336.484 0.977 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C[C@@H]1C ZINC000342087018 437963777 /nfs/dbraw/zinc/96/37/77/437963777.db2.gz NWVWYSQQJOWITQ-LZWOXQAQSA-N 1 3 338.496 0.917 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C[C@@H]1C ZINC000342087018 437963784 /nfs/dbraw/zinc/96/37/84/437963784.db2.gz NWVWYSQQJOWITQ-LZWOXQAQSA-N 1 3 338.496 0.917 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)C1CC1 ZINC000424530510 437967877 /nfs/dbraw/zinc/96/78/77/437967877.db2.gz VTIGXQCWQRMDMM-CQSZACIVSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366089057 438014745 /nfs/dbraw/zinc/01/47/45/438014745.db2.gz LTUOCUUDXJOKKT-CQSZACIVSA-N 1 3 348.495 0.934 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366089057 438014761 /nfs/dbraw/zinc/01/47/61/438014761.db2.gz LTUOCUUDXJOKKT-CQSZACIVSA-N 1 3 348.495 0.934 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000366089057 438014766 /nfs/dbraw/zinc/01/47/66/438014766.db2.gz LTUOCUUDXJOKKT-CQSZACIVSA-N 1 3 348.495 0.934 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000366089057 438014769 /nfs/dbraw/zinc/01/47/69/438014769.db2.gz LTUOCUUDXJOKKT-CQSZACIVSA-N 1 3 348.495 0.934 20 0 ECADHO [NH3+]CCNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000417161899 438029263 /nfs/dbraw/zinc/02/92/63/438029263.db2.gz RMLGPPOGZCXPLS-UHFFFAOYSA-N 1 3 333.480 0.842 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417199133 438030792 /nfs/dbraw/zinc/03/07/92/438030792.db2.gz SOGKYMVBTVBFES-DLBZAZTESA-N 1 3 334.464 0.837 20 0 ECADHO C[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000417304342 438037409 /nfs/dbraw/zinc/03/74/09/438037409.db2.gz FFNULLZKAVSGDQ-MRXNPFEDSA-N 1 3 325.501 0.701 20 0 ECADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417362503 438044279 /nfs/dbraw/zinc/04/42/79/438044279.db2.gz ABXZZJLATITQNS-CABCVRRESA-N 1 3 334.468 0.629 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417426419 438048876 /nfs/dbraw/zinc/04/88/76/438048876.db2.gz GONIHOVBVBQUQF-GJZGRUSLSA-N 1 3 341.500 0.602 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000348021170 438000862 /nfs/dbraw/zinc/00/08/62/438000862.db2.gz QSCSFYZUWJYPKK-GJZGRUSLSA-N 1 3 342.484 0.060 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN(CCN(C)C)CC1 ZINC000416984844 438010001 /nfs/dbraw/zinc/01/00/01/438010001.db2.gz YAVUZMWYWIYMEF-GDBMZVCRSA-N 1 3 325.501 0.924 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417949561 438093861 /nfs/dbraw/zinc/09/38/61/438093861.db2.gz KMUSIJUNRAFILB-ZFWWWQNUSA-N 1 3 335.452 0.819 20 0 ECADHO C[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)CN1 ZINC000417953257 438094139 /nfs/dbraw/zinc/09/41/39/438094139.db2.gz PDGSIJPNSYAMOC-KGLIPLIRSA-N 1 3 335.452 0.914 20 0 ECADHO [NH3+]C[C@@H](NC(=O)NCc1ccccc1CN1CC[C@H](O)C1)C1CC1 ZINC000417988800 438096468 /nfs/dbraw/zinc/09/64/68/438096468.db2.gz IUUXCCOHXSDVRZ-DLBZAZTESA-N 1 3 332.448 0.790 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)NC[C@@H]1CCC[NH2+]1 ZINC000417993038 438100111 /nfs/dbraw/zinc/10/01/11/438100111.db2.gz NJOZUJUSNOGTFU-IRXDYDNUSA-N 1 3 332.448 0.804 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000417754494 438076119 /nfs/dbraw/zinc/07/61/19/438076119.db2.gz PLHDEGJWPDXUJV-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)CC1 ZINC000372365790 438078724 /nfs/dbraw/zinc/07/87/24/438078724.db2.gz LNBJNHUPCWUOBP-DLBZAZTESA-N 1 3 338.496 0.384 20 0 ECADHO C[C@@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)[C@@H](C)CN1 ZINC000418198947 438118643 /nfs/dbraw/zinc/11/86/43/438118643.db2.gz WFGPBZAIVBCADS-KGLIPLIRSA-N 1 3 335.452 0.914 20 0 ECADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000430902338 438130323 /nfs/dbraw/zinc/13/03/23/438130323.db2.gz ZAQYDPMOHXZXLR-MRXNPFEDSA-N 1 3 335.448 0.869 20 0 ECADHO COC[C@]1(CNC(=O)NCCCNCc2cccnc2)CCC[NH2+]1 ZINC000418326261 438131514 /nfs/dbraw/zinc/13/15/14/438131514.db2.gz JWWRSRNYYYZNRO-QGZVFWFLSA-N 1 3 335.452 0.629 20 0 ECADHO C[NH2+]CC1CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000430928123 438132882 /nfs/dbraw/zinc/13/28/82/438132882.db2.gz KJPPQHREHRKRGZ-KRWDZBQOSA-N 1 3 340.512 0.391 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418340999 438133137 /nfs/dbraw/zinc/13/31/37/438133137.db2.gz GYQWOKYGMLEPRB-CVEARBPZSA-N 1 3 326.485 0.768 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)C(=O)NCCN(C)C ZINC000418382129 438138338 /nfs/dbraw/zinc/13/83/38/438138338.db2.gz LSPHVRRMYQDHLB-KGLIPLIRSA-N 1 3 327.473 0.130 20 0 ECADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000430966287 438136245 /nfs/dbraw/zinc/13/62/45/438136245.db2.gz MZWKQPALPJRICX-OAHLLOKOSA-N 1 3 346.475 0.950 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000418398193 438139834 /nfs/dbraw/zinc/13/98/34/438139834.db2.gz VXEXYVVRPAFSLF-CQSZACIVSA-N 1 3 327.473 0.038 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)COC3C[NH2+]C3)cc2)CC1 ZINC000431003454 438140360 /nfs/dbraw/zinc/14/03/60/438140360.db2.gz GJMNNRXOKBXGNM-UHFFFAOYSA-N 1 3 332.448 0.039 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418462504 438146635 /nfs/dbraw/zinc/14/66/35/438146635.db2.gz BNCCATSWXGIRAH-HYVNUMGLSA-N 1 3 334.464 0.763 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418469164 438149045 /nfs/dbraw/zinc/14/90/45/438149045.db2.gz JWPRCBNVXYQFJM-YJBOKZPZSA-N 1 3 334.464 0.860 20 0 ECADHO CCC[NH2+]CCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418488301 438150461 /nfs/dbraw/zinc/15/04/61/438150461.db2.gz KQACHXGWPOAQPI-UHFFFAOYSA-N 1 3 327.473 0.277 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358117609 438157726 /nfs/dbraw/zinc/15/77/26/438157726.db2.gz XKVUIECMFLWEHR-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358117609 438157729 /nfs/dbraw/zinc/15/77/29/438157729.db2.gz XKVUIECMFLWEHR-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418542123 438158668 /nfs/dbraw/zinc/15/86/68/438158668.db2.gz HIKVSJXPWKNXAI-PVAVHDDUSA-N 1 3 334.464 0.906 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418580681 438161779 /nfs/dbraw/zinc/16/17/79/438161779.db2.gz SYFYBKDANXGKMO-AYBZRNKSSA-N 1 3 346.475 0.921 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000418853103 438218599 /nfs/dbraw/zinc/21/85/99/438218599.db2.gz RQAOBGMPCPCEBR-QGZVFWFLSA-N 1 3 346.475 0.486 20 0 ECADHO C[C@@H](NC(=O)CCCN1CCC([NH3+])CC1)[C@@H](C)N1CCOCC1 ZINC000433121133 438225648 /nfs/dbraw/zinc/22/56/48/438225648.db2.gz QLCFZAROQXEJLK-HUUCEWRRSA-N 1 3 326.485 0.415 20 0 ECADHO CC[C@@H]1CN(C(=O)CCCN2CCC([NH3+])CC2)CCN1CCOC ZINC000433135829 438226599 /nfs/dbraw/zinc/22/65/99/438226599.db2.gz JWNPCKDHFKFSNF-QGZVFWFLSA-N 1 3 340.512 0.759 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000418872401 438229128 /nfs/dbraw/zinc/22/91/28/438229128.db2.gz WNIKZZRGKXCFNI-ZIAGYGMSSA-N 1 3 326.485 0.857 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418877930 438232878 /nfs/dbraw/zinc/23/28/78/438232878.db2.gz PZKUCMKKBOLWRP-HZPDHXFCSA-N 1 3 332.448 0.144 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418882753 438234012 /nfs/dbraw/zinc/23/40/12/438234012.db2.gz ZKADQXCGRNXRTP-IRXDYDNUSA-N 1 3 346.475 0.391 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000358520363 438245335 /nfs/dbraw/zinc/24/53/35/438245335.db2.gz GZISTOFBJDKTEY-HOTGVXAUSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000358520363 438245338 /nfs/dbraw/zinc/24/53/38/438245338.db2.gz GZISTOFBJDKTEY-HOTGVXAUSA-N 1 3 325.501 0.748 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)CC[NH2+]C)c1ccccc1 ZINC000418839749 438208393 /nfs/dbraw/zinc/20/83/93/438208393.db2.gz DNONEDCMDQPMSE-INIZCTEOSA-N 1 3 334.464 0.864 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000418943331 438260157 /nfs/dbraw/zinc/26/01/57/438260157.db2.gz YOGPZKCYWJTVBJ-HNNXBMFYSA-N 1 3 326.485 0.714 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@@H+]1C ZINC000418969204 438267354 /nfs/dbraw/zinc/26/73/54/438267354.db2.gz VASMRZAKPRXCSO-BSWAZPDLSA-N 1 3 344.459 0.539 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@H+]1C ZINC000418969204 438267357 /nfs/dbraw/zinc/26/73/57/438267357.db2.gz VASMRZAKPRXCSO-BSWAZPDLSA-N 1 3 344.459 0.539 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418967935 438267388 /nfs/dbraw/zinc/26/73/88/438267388.db2.gz SUCMBXNQQWQIFE-GDBMZVCRSA-N 1 3 332.448 0.430 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418983265 438273711 /nfs/dbraw/zinc/27/37/11/438273711.db2.gz CVNXOOVNULZOIQ-INIZCTEOSA-N 1 3 334.464 0.998 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000419007567 438284080 /nfs/dbraw/zinc/28/40/80/438284080.db2.gz YJYPUYQLKGGNRB-DLBZAZTESA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419023124 438291958 /nfs/dbraw/zinc/29/19/58/438291958.db2.gz JDSNNWKEZNVLDA-KBPBESRZSA-N 1 3 326.485 0.666 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418922125 438249382 /nfs/dbraw/zinc/24/93/82/438249382.db2.gz DLEBPUYMCRGKDX-CYBMUJFWSA-N 1 3 332.448 0.753 20 0 ECADHO COCCN(CCN(C)C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433447904 438250148 /nfs/dbraw/zinc/25/01/48/438250148.db2.gz RNUDLIXJWVQXGH-INIZCTEOSA-N 1 3 344.500 0.707 20 0 ECADHO COCCN(CCN(C)C)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433447904 438250153 /nfs/dbraw/zinc/25/01/53/438250153.db2.gz RNUDLIXJWVQXGH-INIZCTEOSA-N 1 3 344.500 0.707 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000419098907 438318964 /nfs/dbraw/zinc/31/89/64/438318964.db2.gz CUWSBXCSNRZUQV-ZBFHGGJFSA-N 1 3 346.475 0.867 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419111196 438325717 /nfs/dbraw/zinc/32/57/17/438325717.db2.gz SWRHFWWSDZMGOR-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(C[C@@H]1CSCCN1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000434885224 438333321 /nfs/dbraw/zinc/33/33/21/438333321.db2.gz HYYCRUNMHKFZPC-DZGCQCFKSA-N 1 3 327.494 0.699 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419125272 438334499 /nfs/dbraw/zinc/33/44/99/438334499.db2.gz SWRXXQINKXXENE-JZWPEALZSA-N 1 3 336.480 0.766 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000419138097 438340554 /nfs/dbraw/zinc/34/05/54/438340554.db2.gz QDQGADGGIUBFPE-IRXDYDNUSA-N 1 3 346.475 0.963 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)N(CCN)Cc2ccccc2)CC1 ZINC000419142430 438344303 /nfs/dbraw/zinc/34/43/03/438344303.db2.gz BZBSVSOLRRDQDV-UHFFFAOYSA-N 1 3 346.475 0.822 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419033665 438299621 /nfs/dbraw/zinc/29/96/21/438299621.db2.gz YNNPFLZOPJVXLH-LXTVHRRPSA-N 1 3 326.485 0.583 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000419142950 438345895 /nfs/dbraw/zinc/34/58/95/438345895.db2.gz DAFGXDDNZCBSGH-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419083604 438314992 /nfs/dbraw/zinc/31/49/92/438314992.db2.gz WWQCFZMRVQKQPQ-YJBOKZPZSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420120474 438388575 /nfs/dbraw/zinc/38/85/75/438388575.db2.gz LUTMVZRBMCUWPT-GASCZTMLSA-N 1 3 338.496 0.871 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419143365 438347163 /nfs/dbraw/zinc/34/71/63/438347163.db2.gz WZGWHUVFSSBFNT-BZUAXINKSA-N 1 3 332.448 0.792 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000419756961 438371822 /nfs/dbraw/zinc/37/18/22/438371822.db2.gz BVACBSZZOCTVJF-WMLDXEAASA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000419762577 438372651 /nfs/dbraw/zinc/37/26/51/438372651.db2.gz MEGQXSUXVKCYHI-RHSMWYFYSA-N 1 3 346.475 0.819 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419850420 438373406 /nfs/dbraw/zinc/37/34/06/438373406.db2.gz LMADKBCLBMTIOX-INIZCTEOSA-N 1 3 347.463 0.230 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419981242 438380606 /nfs/dbraw/zinc/38/06/06/438380606.db2.gz TUZLWKGVUYEWGS-JKSUJKDBSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419997564 438381503 /nfs/dbraw/zinc/38/15/03/438381503.db2.gz KDBBLMXIQIXSFC-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000420059073 438384719 /nfs/dbraw/zinc/38/47/19/438384719.db2.gz KGGBDQGRUUXWON-UONOGXRCSA-N 1 3 340.468 0.160 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000420059589 438386089 /nfs/dbraw/zinc/38/60/89/438386089.db2.gz GLXQBIFEURRGEU-MRXNPFEDSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C[NH+]1CCCCC1 ZINC000420073389 438386188 /nfs/dbraw/zinc/38/61/88/438386188.db2.gz ORCBKFGTJFJUPN-HOCLYGCPSA-N 1 3 338.496 0.858 20 0 ECADHO COC(=O)CC1(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000420327287 438399694 /nfs/dbraw/zinc/39/96/94/438399694.db2.gz YKTQFYSDVMWTHV-GJZGRUSLSA-N 1 3 337.464 0.910 20 0 ECADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000420864502 438446603 /nfs/dbraw/zinc/44/66/03/438446603.db2.gz NIIBCTHARVUPHV-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000420864502 438446608 /nfs/dbraw/zinc/44/66/08/438446608.db2.gz NIIBCTHARVUPHV-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000422317468 438551195 /nfs/dbraw/zinc/55/11/95/438551195.db2.gz GAEYWLLHZATTNR-PMPSAXMXSA-N 1 3 338.496 0.917 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000422419375 438564496 /nfs/dbraw/zinc/56/44/96/438564496.db2.gz XZODXXLMNKKMDD-DZKIICNBSA-N 1 3 336.480 0.669 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000422419375 438564497 /nfs/dbraw/zinc/56/44/97/438564497.db2.gz XZODXXLMNKKMDD-DZKIICNBSA-N 1 3 336.480 0.669 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000370271301 438566375 /nfs/dbraw/zinc/56/63/75/438566375.db2.gz SCRHWABAUNWBAG-HLLBOEOZSA-N 1 3 326.460 0.705 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000370271301 438566377 /nfs/dbraw/zinc/56/63/77/438566377.db2.gz SCRHWABAUNWBAG-HLLBOEOZSA-N 1 3 326.460 0.705 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000422488905 438579400 /nfs/dbraw/zinc/57/94/00/438579400.db2.gz KWYVYUBKNJMDFK-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000422488905 438579401 /nfs/dbraw/zinc/57/94/01/438579401.db2.gz KWYVYUBKNJMDFK-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410463434 438587713 /nfs/dbraw/zinc/58/77/13/438587713.db2.gz BFCGGFCDLNXUHO-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410463434 438587716 /nfs/dbraw/zinc/58/77/16/438587716.db2.gz BFCGGFCDLNXUHO-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000410473542 438589159 /nfs/dbraw/zinc/58/91/59/438589159.db2.gz VGSFXRKWXOTEFF-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422625895 438595604 /nfs/dbraw/zinc/59/56/04/438595604.db2.gz IATZMEXOEQYNED-UYSNPLJNSA-N 1 3 338.496 0.917 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000422971356 438621808 /nfs/dbraw/zinc/62/18/08/438621808.db2.gz ILHHCKLMUQTUGT-MRXNPFEDSA-N 1 3 330.432 0.459 20 0 ECADHO CC1CN(C(=O)/C=C\CN(C)C)CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000493391347 438622165 /nfs/dbraw/zinc/62/21/65/438622165.db2.gz AAFGVMVZMYNWIZ-VRHVFUOLSA-N 1 3 336.480 0.529 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000410780301 438656491 /nfs/dbraw/zinc/65/64/91/438656491.db2.gz QPBZHXNGLXUWLB-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000410780301 438656494 /nfs/dbraw/zinc/65/64/94/438656494.db2.gz QPBZHXNGLXUWLB-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423064122 438634320 /nfs/dbraw/zinc/63/43/20/438634320.db2.gz QMJSCDLAZPDGCY-OAHLLOKOSA-N 1 3 326.485 0.620 20 0 ECADHO COC(=O)CN1CCC([NH2+]CCN2CCN(C)C(C)(C)C2)CC1 ZINC000443058611 438637979 /nfs/dbraw/zinc/63/79/79/438637979.db2.gz AFTBCUJZEDPGCO-UHFFFAOYSA-N 1 3 326.485 0.239 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423147205 438643026 /nfs/dbraw/zinc/64/30/26/438643026.db2.gz CDQNGIZTMHHSAE-OAGGEKHMSA-N 1 3 334.464 0.141 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423162121 438645292 /nfs/dbraw/zinc/64/52/92/438645292.db2.gz KMGFFMRYQXIGLH-OAHLLOKOSA-N 1 3 336.411 0.276 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCC([NH3+])CC2)o1 ZINC000423172343 438645329 /nfs/dbraw/zinc/64/53/29/438645329.db2.gz SJMRLYAUYFJNDI-UHFFFAOYSA-N 1 3 336.436 0.428 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000423198896 438647738 /nfs/dbraw/zinc/64/77/38/438647738.db2.gz IOXUGDBJUPVQAB-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000423198758 438647806 /nfs/dbraw/zinc/64/78/06/438647806.db2.gz HRFOPUDDGRNHQK-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423205802 438649117 /nfs/dbraw/zinc/64/91/17/438649117.db2.gz PPDIEJRNMZRXOH-CQSZACIVSA-N 1 3 340.493 0.493 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000423215666 438650761 /nfs/dbraw/zinc/65/07/61/438650761.db2.gz OEROZNFDZJZHPE-HNNXBMFYSA-N 1 3 326.485 0.761 20 0 ECADHO CS(=O)(=O)NCCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422802629 438608084 /nfs/dbraw/zinc/60/80/84/438608084.db2.gz HRVZRZSHNAZFOD-GDBMZVCRSA-N 1 3 339.461 0.771 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423358616 438664846 /nfs/dbraw/zinc/66/48/46/438664846.db2.gz BZUVAUWBVIQAIV-UHFFFAOYSA-N 1 3 338.452 0.613 20 0 ECADHO COC[C@@]1(C(=O)NCc2ccccc2OCCN(C)C)CC[NH2+]C1 ZINC000423369619 438666858 /nfs/dbraw/zinc/66/68/58/438666858.db2.gz STIIVEIPHLAKCI-GOSISDBHSA-N 1 3 335.448 0.869 20 0 ECADHO CC1(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)C[NH2+]C1 ZINC000423361941 438667288 /nfs/dbraw/zinc/66/72/88/438667288.db2.gz HECWWBFLHYXGGE-AWEZNQCLSA-N 1 3 330.432 0.932 20 0 ECADHO COC[C@]1(C(=O)NCC(C)(C)N2CCC(OC)CC2)CC[NH2+]C1 ZINC000423380045 438669422 /nfs/dbraw/zinc/66/94/22/438669422.db2.gz DGHFEUDNQZGEKI-KRWDZBQOSA-N 1 3 327.469 0.618 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414807835 438717611 /nfs/dbraw/zinc/71/76/11/438717611.db2.gz DHKPGSYFOKHFNJ-CYBMUJFWSA-N 1 3 336.436 0.681 20 0 ECADHO O=C(CCCN1CCN(c2ccccc2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495136608 438719198 /nfs/dbraw/zinc/71/91/98/438719198.db2.gz FJCILSOOJVCLIO-DZFIZOCASA-N 1 3 328.460 0.923 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1CCCC1 ZINC000553690355 438755681 /nfs/dbraw/zinc/75/56/81/438755681.db2.gz JPJDCZVZRDCYHR-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1CCCC1 ZINC000553690355 438755683 /nfs/dbraw/zinc/75/56/83/438755683.db2.gz JPJDCZVZRDCYHR-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCC(O)(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000575135563 438739807 /nfs/dbraw/zinc/73/98/07/438739807.db2.gz FGELSXNKPJIXIO-OAHLLOKOSA-N 1 3 341.521 0.777 20 0 ECADHO O[C@H](CNC[C@H](O)C[NH+]1CCCC1)CN1CCc2ccccc2C1 ZINC000575868496 438758671 /nfs/dbraw/zinc/75/86/71/438758671.db2.gz AAJRTSFISXLHJJ-RBUKOAKNSA-N 1 3 333.476 0.452 20 0 ECADHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)N(C)CC(F)(F)F ZINC000554515941 438765055 /nfs/dbraw/zinc/76/50/55/438765055.db2.gz PIMOLQDPJLTXBK-LBPRGKRZSA-N 1 3 326.407 0.821 20 0 ECADHO Cc1ccsc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000555944409 438779763 /nfs/dbraw/zinc/77/97/63/438779763.db2.gz UJPLDTMWXQJZAS-UHFFFAOYSA-N 1 3 340.493 0.625 20 0 ECADHO C[C@@H](NC(=O)c1ccccc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000558545477 438814179 /nfs/dbraw/zinc/81/41/79/438814179.db2.gz XYCVYOPMDPZVAH-OAHLLOKOSA-N 1 3 334.464 0.757 20 0 ECADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000457680167 438822260 /nfs/dbraw/zinc/82/22/60/438822260.db2.gz BMXPZESTUSFSPL-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000457680167 438822264 /nfs/dbraw/zinc/82/22/64/438822264.db2.gz BMXPZESTUSFSPL-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CCN1CC[C@H](N(C)C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@@H](C)C1 ZINC000577399436 438838559 /nfs/dbraw/zinc/83/85/59/438838559.db2.gz KQBMZEIDUBNJLN-LZWOXQAQSA-N 1 3 334.468 0.832 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000564968228 438896285 /nfs/dbraw/zinc/89/62/85/438896285.db2.gz UMZFITAHHUHZDX-RISCZKNCSA-N 1 3 343.497 0.419 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)C2)C1 ZINC000516308516 438901799 /nfs/dbraw/zinc/90/17/99/438901799.db2.gz GZGLIJBHERYGEW-KRXQYRFLSA-N 1 3 334.464 0.126 20 0 ECADHO CN1CCN(c2ncccc2C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000516450428 438907521 /nfs/dbraw/zinc/90/75/21/438907521.db2.gz OLUHJGCKMNWPBS-ROUUACIJSA-N 1 3 345.491 0.690 20 0 ECADHO CN1CCN(C[C@@H](O)C[NH2+]C[C@H](c2ccco2)N2CCCC2)CC1 ZINC000577722452 438863917 /nfs/dbraw/zinc/86/39/17/438863917.db2.gz SCDGQMCYUDJFDC-DLBZAZTESA-N 1 3 336.480 0.614 20 0 ECADHO CS[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1N(C)C ZINC000601380328 438869550 /nfs/dbraw/zinc/86/95/50/438869550.db2.gz TXVPTBYBUXPQSJ-ZIAGYGMSSA-N 1 3 325.482 0.562 20 0 ECADHO COC(=O)CCN1CCC[C@@H](N2CCC(OCCC[NH3+])CC2)C1=O ZINC000595890269 438879426 /nfs/dbraw/zinc/87/94/26/438879426.db2.gz DSMUCTVPQDEZHT-OAHLLOKOSA-N 1 3 341.452 0.370 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000595900618 438881864 /nfs/dbraw/zinc/88/18/64/438881864.db2.gz ILGWCLBFQQVEPO-CVEARBPZSA-N 1 3 337.464 0.862 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)NCCCCC[NH+]3CCCC3)CCN2C1=O ZINC000516664575 438920957 /nfs/dbraw/zinc/92/09/57/438920957.db2.gz KPJRXXXCBIUURK-LSDHHAIUSA-N 1 3 337.468 0.206 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)N(C)C ZINC000459034396 438940564 /nfs/dbraw/zinc/94/05/64/438940564.db2.gz CWJVOTGBCAEPIU-HOTGVXAUSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)N(C)C ZINC000459034396 438940568 /nfs/dbraw/zinc/94/05/68/438940568.db2.gz CWJVOTGBCAEPIU-HOTGVXAUSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000517024300 438945736 /nfs/dbraw/zinc/94/57/36/438945736.db2.gz PLMUQQSWFYCOGR-JYJNAYRXSA-N 1 3 336.480 0.659 20 0 ECADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000565491022 438955524 /nfs/dbraw/zinc/95/55/24/438955524.db2.gz LYNZCDXSMAMNID-HZPDHXFCSA-N 1 3 345.447 0.202 20 0 ECADHO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)C[C@H]2C1 ZINC000517714152 438975803 /nfs/dbraw/zinc/97/58/03/438975803.db2.gz XGQMEDZBNUOHMO-GASCZTMLSA-N 1 3 328.416 0.291 20 0 ECADHO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)C[C@H]2C1 ZINC000517714152 438975807 /nfs/dbraw/zinc/97/58/07/438975807.db2.gz XGQMEDZBNUOHMO-GASCZTMLSA-N 1 3 328.416 0.291 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)ccc1OCCN(C)C ZINC000517759293 438976547 /nfs/dbraw/zinc/97/65/47/438976547.db2.gz LCFQKGXUGTYOPY-AWEZNQCLSA-N 1 3 334.420 0.352 20 0 ECADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCCN2)c1 ZINC000565893021 438986451 /nfs/dbraw/zinc/98/64/51/438986451.db2.gz TZBMTCVBJWYKJL-CYBMUJFWSA-N 1 3 326.422 0.004 20 0 ECADHO COC(=O)[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596688882 438989539 /nfs/dbraw/zinc/98/95/39/438989539.db2.gz GFOAJRULKFKKBN-IHRRRGAJSA-N 1 3 328.457 0.509 20 0 ECADHO COC(=O)[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596688882 438989544 /nfs/dbraw/zinc/98/95/44/438989544.db2.gz GFOAJRULKFKKBN-IHRRRGAJSA-N 1 3 328.457 0.509 20 0 ECADHO COC(=O)[C@@]1(C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596692983 438989659 /nfs/dbraw/zinc/98/96/59/438989659.db2.gz PBXDOGYPVMAFOD-YOEHRIQHSA-N 1 3 342.484 0.853 20 0 ECADHO COC(=O)[C@@]1(C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596692983 438989664 /nfs/dbraw/zinc/98/96/64/438989664.db2.gz PBXDOGYPVMAFOD-YOEHRIQHSA-N 1 3 342.484 0.853 20 0 ECADHO Cc1ccc(NC(=O)CC[NH2+]CCCN2CCC[C@H](C(N)=O)C2)nc1 ZINC000566108963 439007002 /nfs/dbraw/zinc/00/70/02/439007002.db2.gz HOXZFIAKQBBUKJ-HNNXBMFYSA-N 1 3 347.463 0.896 20 0 ECADHO Cc1ccc(NC(=O)CCNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nc1 ZINC000566108963 439007005 /nfs/dbraw/zinc/00/70/05/439007005.db2.gz HOXZFIAKQBBUKJ-HNNXBMFYSA-N 1 3 347.463 0.896 20 0 ECADHO Cc1ccc(NC(=O)CCNCCC[N@H+]2CCC[C@H](C(N)=O)C2)nc1 ZINC000566108963 439007008 /nfs/dbraw/zinc/00/70/08/439007008.db2.gz HOXZFIAKQBBUKJ-HNNXBMFYSA-N 1 3 347.463 0.896 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCCN(C)C2)CC1=O ZINC000591642769 439044025 /nfs/dbraw/zinc/04/40/25/439044025.db2.gz JLEHKAWYISCURU-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCCN(C)C2)CC1=O ZINC000591642769 439044029 /nfs/dbraw/zinc/04/40/29/439044029.db2.gz JLEHKAWYISCURU-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000579942255 439048436 /nfs/dbraw/zinc/04/84/36/439048436.db2.gz PEUXGMJRSFZHRF-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000566436596 439053558 /nfs/dbraw/zinc/05/35/58/439053558.db2.gz CMWRXRNCQJDBNN-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000566436596 439053565 /nfs/dbraw/zinc/05/35/65/439053565.db2.gz CMWRXRNCQJDBNN-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)NCCN(C)C ZINC000566463140 439058052 /nfs/dbraw/zinc/05/80/52/439058052.db2.gz VASFEZDRXOYTLE-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)NCCN(C)C ZINC000566463140 439058059 /nfs/dbraw/zinc/05/80/59/439058059.db2.gz VASFEZDRXOYTLE-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000579589632 439023157 /nfs/dbraw/zinc/02/31/57/439023157.db2.gz JHZPOQRIDIMEBU-UONOGXRCSA-N 1 3 325.457 0.062 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC000566212541 439025393 /nfs/dbraw/zinc/02/53/93/439025393.db2.gz GCAOPGXCDHDISP-DOTOQJQBSA-N 1 3 340.431 0.787 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1nccs1 ZINC000519337911 439031295 /nfs/dbraw/zinc/03/12/95/439031295.db2.gz GIJSMRWDUACLRJ-UHFFFAOYSA-N 1 3 341.481 0.053 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3COCCO3)CC2)CC1 ZINC000566747397 439086931 /nfs/dbraw/zinc/08/69/31/439086931.db2.gz SUEOTKBSSUPQNK-QGZVFWFLSA-N 1 3 339.480 0.714 20 0 ECADHO CC1(C)CC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000566748435 439087053 /nfs/dbraw/zinc/08/70/53/439087053.db2.gz KKZBCMZHOPHJLO-QWHCGFSZSA-N 1 3 337.468 0.249 20 0 ECADHO CCN(C(=O)C(=O)NC1C[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000566787644 439088456 /nfs/dbraw/zinc/08/84/56/439088456.db2.gz YQFAHUMKQUUKAI-RHSMWYFYSA-N 1 3 344.459 0.758 20 0 ECADHO C[C@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)CN1CCCCC1 ZINC000602472821 439093102 /nfs/dbraw/zinc/09/31/02/439093102.db2.gz LKRPZQDRVVNKHK-PEBXRYMYSA-N 1 3 329.510 0.725 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000602480339 439095775 /nfs/dbraw/zinc/09/57/75/439095775.db2.gz GJQSXAJUEAGJAF-SOLBZPMBSA-N 1 3 338.496 0.380 20 0 ECADHO C[S@](=O)C1(C(=O)N2CC[C@H](CN3CCCCC3)C2)CC[NH2+]CC1 ZINC000602485047 439098595 /nfs/dbraw/zinc/09/85/95/439098595.db2.gz MZCLAVYWDMYICR-CMJOXMDJSA-N 1 3 341.521 0.822 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000602522574 439104608 /nfs/dbraw/zinc/10/46/08/439104608.db2.gz DUXMWKVVKFLOLA-BRWVUGGUSA-N 1 3 342.443 0.279 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000602522574 439104611 /nfs/dbraw/zinc/10/46/11/439104611.db2.gz DUXMWKVVKFLOLA-BRWVUGGUSA-N 1 3 342.443 0.279 20 0 ECADHO CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000580643928 439112502 /nfs/dbraw/zinc/11/25/02/439112502.db2.gz KGOMQZFJILORQC-HUUCEWRRSA-N 1 3 328.526 0.694 20 0 ECADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000460071237 439072981 /nfs/dbraw/zinc/07/29/81/439072981.db2.gz YJPRNBQTOFARNH-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)C2)C1 ZINC000460080670 439074812 /nfs/dbraw/zinc/07/48/12/439074812.db2.gz WHCBVSCHNFHLDC-APWZRJJASA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)C2)C1 ZINC000460080670 439074816 /nfs/dbraw/zinc/07/48/16/439074816.db2.gz WHCBVSCHNFHLDC-APWZRJJASA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H](C)N(C)C)CC1)[NH+](C)C ZINC000479858832 439121873 /nfs/dbraw/zinc/12/18/73/439121873.db2.gz DSZJFBFVRMDRNP-LDKKBFSKSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)CC1)N(C)C ZINC000479858832 439121876 /nfs/dbraw/zinc/12/18/76/439121876.db2.gz DSZJFBFVRMDRNP-LDKKBFSKSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H]1CCN(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000568215612 439226190 /nfs/dbraw/zinc/22/61/90/439226190.db2.gz ZXIVVJYMVHELBZ-MAUKXSAKSA-N 1 3 331.460 0.864 20 0 ECADHO C[C@H]1CCN(CC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000568215612 439226193 /nfs/dbraw/zinc/22/61/93/439226193.db2.gz ZXIVVJYMVHELBZ-MAUKXSAKSA-N 1 3 331.460 0.864 20 0 ECADHO COC(=O)[C@@H](C)Oc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000592428464 439227819 /nfs/dbraw/zinc/22/78/19/439227819.db2.gz PZGSLRGCBSJOLC-OAHLLOKOSA-N 1 3 335.448 0.964 20 0 ECADHO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000582300431 439317022 /nfs/dbraw/zinc/31/70/22/439317022.db2.gz FSSPUSDJIPPSRA-AWEZNQCLSA-N 1 3 343.497 0.292 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000604166464 439298371 /nfs/dbraw/zinc/29/83/71/439298371.db2.gz XDDXSZFDUAAMJG-RDJZCZTQSA-N 1 3 337.512 0.794 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000604166464 439298377 /nfs/dbraw/zinc/29/83/77/439298377.db2.gz XDDXSZFDUAAMJG-RDJZCZTQSA-N 1 3 337.512 0.794 20 0 ECADHO O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000569106332 439304668 /nfs/dbraw/zinc/30/46/68/439304668.db2.gz VMSOEDKZFUIBMS-ULQDDVLXSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569123843 439306392 /nfs/dbraw/zinc/30/63/92/439306392.db2.gz YMRRODKADCCSMO-AIEDFZFUSA-N 1 3 326.485 0.711 20 0 ECADHO CN(C)[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])Cc1ccccc1 ZINC000582230517 439306793 /nfs/dbraw/zinc/30/67/93/439306793.db2.gz ATEMJSWWJOWXJQ-IRXDYDNUSA-N 1 3 333.480 0.444 20 0 ECADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCCN(C4CCCC4)CC3)C[C@H]12 ZINC000569713559 439356320 /nfs/dbraw/zinc/35/63/20/439356320.db2.gz UQXYIUAOPRKQNV-BHYGNILZSA-N 1 3 348.491 0.659 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCCCN1CCN(C)CC1 ZINC000605982511 439394895 /nfs/dbraw/zinc/39/48/95/439394895.db2.gz OFAMXBYYJBXCLH-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCCCN1CCN(C)CC1 ZINC000605982511 439394900 /nfs/dbraw/zinc/39/49/00/439394900.db2.gz OFAMXBYYJBXCLH-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529357265 439412199 /nfs/dbraw/zinc/41/21/99/439412199.db2.gz MIUDAPIUPQJQTK-CABCVRRESA-N 1 3 349.479 0.219 20 0 ECADHO C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@@H](C)C1 ZINC000583142471 439425436 /nfs/dbraw/zinc/42/54/36/439425436.db2.gz YBCKQFGOXZFXCT-KFWWJZLASA-N 1 3 334.468 0.880 20 0 ECADHO C[C@](O)(C[NH2+]CCCCN1CCN(CCO)CC1)C(F)(F)F ZINC000583199147 439431704 /nfs/dbraw/zinc/43/17/04/439431704.db2.gz ALTOFFLLEMJYMM-ZDUSSCGKSA-N 1 3 327.391 0.279 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000607232891 439445543 /nfs/dbraw/zinc/44/55/43/439445543.db2.gz QTXHAKLFPYMPNX-HZPDHXFCSA-N 1 3 325.501 0.748 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000607232891 439445550 /nfs/dbraw/zinc/44/55/50/439445550.db2.gz QTXHAKLFPYMPNX-HZPDHXFCSA-N 1 3 325.501 0.748 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000607232892 439447129 /nfs/dbraw/zinc/44/71/29/439447129.db2.gz QTXHAKLFPYMPNX-JKSUJKDBSA-N 1 3 325.501 0.748 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000607232892 439447132 /nfs/dbraw/zinc/44/71/32/439447132.db2.gz QTXHAKLFPYMPNX-JKSUJKDBSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000607280718 439448729 /nfs/dbraw/zinc/44/87/29/439448729.db2.gz MDLSZBVYFKXPBP-IIAWOOMASA-N 1 3 336.480 0.800 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000593907689 439492903 /nfs/dbraw/zinc/49/29/03/439492903.db2.gz ROPMZUGFCMVBMB-HZPDHXFCSA-N 1 3 337.464 0.908 20 0 ECADHO C[N@H+](CCCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1CC1 ZINC000571752923 439527100 /nfs/dbraw/zinc/52/71/00/439527100.db2.gz XBYTTZDVITZISS-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1CC1 ZINC000571752923 439527107 /nfs/dbraw/zinc/52/71/07/439527107.db2.gz XBYTTZDVITZISS-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C[C@H]2N)cn1 ZINC000583929342 439528754 /nfs/dbraw/zinc/52/87/54/439528754.db2.gz CZDKYPKMINFRMN-HYVNUMGLSA-N 1 3 346.479 0.873 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C[C@H]2N)cn1 ZINC000583929342 439528758 /nfs/dbraw/zinc/52/87/58/439528758.db2.gz CZDKYPKMINFRMN-HYVNUMGLSA-N 1 3 346.479 0.873 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000571984088 439548714 /nfs/dbraw/zinc/54/87/14/439548714.db2.gz HCTCABDCDAMDTC-MSOLQXFVSA-N 1 3 345.491 0.854 20 0 ECADHO CSC1(CNC(=O)NCC2([NH3+])CCOCC2)CCN(C)CC1 ZINC000599925126 439575225 /nfs/dbraw/zinc/57/52/25/439575225.db2.gz URYIQCRVGLDPHE-UHFFFAOYSA-N 1 3 330.498 0.621 20 0 ECADHO COC[C@]1(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)CC[NH2+]C1 ZINC000572719842 439604857 /nfs/dbraw/zinc/60/48/57/439604857.db2.gz UBLULNFBJOLSEN-INIZCTEOSA-N 1 3 330.392 0.495 20 0 ECADHO NC[C@@H]1c2ccccc2CCN1C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000573252426 439637514 /nfs/dbraw/zinc/63/75/14/439637514.db2.gz VSLQWKXXHRUKPK-UCMJJCQDSA-N 1 3 327.428 0.886 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC000585694007 439643737 /nfs/dbraw/zinc/64/37/37/439643737.db2.gz GLRSGPIIPIWOGR-CQSZACIVSA-N 1 3 335.452 0.602 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC000585694007 439643740 /nfs/dbraw/zinc/64/37/40/439643740.db2.gz GLRSGPIIPIWOGR-CQSZACIVSA-N 1 3 335.452 0.602 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000573692297 439661752 /nfs/dbraw/zinc/66/17/52/439661752.db2.gz MQNCJDAORZPXMU-RBUKOAKNSA-N 1 3 334.508 0.357 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCNC[C@@H]1c1cccnc1 ZINC000574571706 439714153 /nfs/dbraw/zinc/71/41/53/439714153.db2.gz XUQSBNFNYSYJOR-BLLLJJGKSA-N 1 3 326.404 0.668 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000612486929 439717174 /nfs/dbraw/zinc/71/71/74/439717174.db2.gz UQDNLHSMNVICLJ-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000574629669 439717242 /nfs/dbraw/zinc/71/72/42/439717242.db2.gz FJOKSUBZPXYGBX-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000574629669 439717246 /nfs/dbraw/zinc/71/72/46/439717246.db2.gz FJOKSUBZPXYGBX-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO COC(=O)CCNC(=O)CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000600708856 439693822 /nfs/dbraw/zinc/69/38/22/439693822.db2.gz HPVCZQFLFYDDGR-RRFJBIMHSA-N 1 3 325.453 0.956 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612931580 439746384 /nfs/dbraw/zinc/74/63/84/439746384.db2.gz ZBNWIRPVSFNUAW-UONOGXRCSA-N 1 3 349.483 0.316 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000612547043 439726973 /nfs/dbraw/zinc/72/69/73/439726973.db2.gz YMDKEDVLXAJYGQ-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000612547043 439726975 /nfs/dbraw/zinc/72/69/75/439726975.db2.gz YMDKEDVLXAJYGQ-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(C(=O)C(=O)NCCCC[N@H+](C)C1CC1)[C@H]1CCN(CC)C1 ZINC000611942476 439737559 /nfs/dbraw/zinc/73/75/59/439737559.db2.gz UJTBXDNJFJFJEB-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)NCCCC[N@@H+](C)C1CC1)[C@H]1CCN(CC)C1 ZINC000611942476 439737561 /nfs/dbraw/zinc/73/75/61/439737561.db2.gz UJTBXDNJFJFJEB-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(NC[C@H]1CCN(C2CC2)C1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662682759 439843996 /nfs/dbraw/zinc/84/39/96/439843996.db2.gz UGEPUTQLQFTEER-UKRRQHHQSA-N 1 3 332.452 0.807 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662685313 439845032 /nfs/dbraw/zinc/84/50/32/439845032.db2.gz BGIFUMMKTFCWCS-CVEARBPZSA-N 1 3 346.431 0.544 20 0 ECADHO O=C(NCCN1CCCC1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626803556 439887928 /nfs/dbraw/zinc/88/79/28/439887928.db2.gz HXCHIQIPGYUBEP-UHFFFAOYSA-N 1 3 332.404 0.319 20 0 ECADHO COCC1(CNC(=O)Nc2cnn(CCN(C)C)c2)CC[NH2+]CC1 ZINC000652612673 439893533 /nfs/dbraw/zinc/89/35/33/439893533.db2.gz ZGWHCBKFDURSFW-UHFFFAOYSA-N 1 3 338.456 0.582 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC000617502614 439897861 /nfs/dbraw/zinc/89/78/61/439897861.db2.gz WBJBEQZZZMGEGL-UONOGXRCSA-N 1 3 337.472 0.014 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC000617502614 439897868 /nfs/dbraw/zinc/89/78/68/439897868.db2.gz WBJBEQZZZMGEGL-UONOGXRCSA-N 1 3 337.472 0.014 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)[C@H]2C1 ZINC000662807196 439898764 /nfs/dbraw/zinc/89/87/64/439898764.db2.gz XLERXKLDSQJDDR-YCPHGPKFSA-N 1 3 332.452 0.759 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)C[NH+](C)C ZINC000626825890 439899639 /nfs/dbraw/zinc/89/96/39/439899639.db2.gz SKBKITDINOAQBG-LBPRGKRZSA-N 1 3 334.420 0.421 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)C2)nn1 ZINC000662813566 439899842 /nfs/dbraw/zinc/89/98/42/439899842.db2.gz KXDRGZXIJZVSCN-AAEUAGOBSA-N 1 3 346.357 0.442 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2ccnc2)nn1 ZINC000617504566 439902105 /nfs/dbraw/zinc/90/21/05/439902105.db2.gz ALYAHELYIDYQNY-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2ccnc2)nn1 ZINC000617504566 439902109 /nfs/dbraw/zinc/90/21/09/439902109.db2.gz ALYAHELYIDYQNY-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO N[C@@H]1CCCCN(CC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662837902 439909473 /nfs/dbraw/zinc/90/94/73/439909473.db2.gz AHUPOAMQDCBXOD-HZPDHXFCSA-N 1 3 336.480 0.564 20 0 ECADHO N[C@H](CC(F)F)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662859451 439914795 /nfs/dbraw/zinc/91/47/95/439914795.db2.gz MYTCODIKPMXWOD-ZIAGYGMSSA-N 1 3 327.375 0.852 20 0 ECADHO N[C@H](CC(F)F)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662859451 439914802 /nfs/dbraw/zinc/91/48/02/439914802.db2.gz MYTCODIKPMXWOD-ZIAGYGMSSA-N 1 3 327.375 0.852 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652687420 439919484 /nfs/dbraw/zinc/91/94/84/439919484.db2.gz BLPNXZKZBIWXPO-UHFFFAOYSA-N 1 3 346.475 0.870 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626936247 439966322 /nfs/dbraw/zinc/96/63/22/439966322.db2.gz FSCPUFFKMCORCX-CVEARBPZSA-N 1 3 325.501 0.844 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000626965613 439974200 /nfs/dbraw/zinc/97/42/00/439974200.db2.gz JQOWYCGBMBDXQX-OAHLLOKOSA-N 1 3 333.436 0.139 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636647717 439975245 /nfs/dbraw/zinc/97/52/45/439975245.db2.gz IPJYEOBVNNUEDQ-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636647717 439975250 /nfs/dbraw/zinc/97/52/50/439975250.db2.gz IPJYEOBVNNUEDQ-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000626987118 439980150 /nfs/dbraw/zinc/98/01/50/439980150.db2.gz XTOFHONKFCHEPY-CVEARBPZSA-N 1 3 337.512 0.844 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000642439510 439980883 /nfs/dbraw/zinc/98/08/83/439980883.db2.gz JZBBGWOWINXXOI-XUWVNRHRSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)[C@H](CN)C1 ZINC000662986597 439982464 /nfs/dbraw/zinc/98/24/64/439982464.db2.gz NBMXHTAJBQYWLK-ZBFHGGJFSA-N 1 3 338.496 0.763 20 0 ECADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642471334 439982885 /nfs/dbraw/zinc/98/28/85/439982885.db2.gz QVIYSEIIVXOGKV-INIZCTEOSA-N 1 3 344.459 0.491 20 0 ECADHO CC[C@H]1CCCCN1CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631920236 439983049 /nfs/dbraw/zinc/98/30/49/439983049.db2.gz VHKUIJWUWHYDLU-AWEZNQCLSA-N 1 3 332.514 0.769 20 0 ECADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662930643 439948026 /nfs/dbraw/zinc/94/80/26/439948026.db2.gz TVIFYMOUGAUPOI-UHFFFAOYSA-N 1 3 338.427 0.523 20 0 ECADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000662937733 439952411 /nfs/dbraw/zinc/95/24/11/439952411.db2.gz KHRGHTAWWADUKR-INIZCTEOSA-N 1 3 346.475 0.915 20 0 ECADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC4CC3(CN)C4)C2)CC1 ZINC000662943803 439960739 /nfs/dbraw/zinc/96/07/39/439960739.db2.gz XZEXFRUODMXNNS-NSWWBONSSA-N 1 3 334.464 0.126 20 0 ECADHO CN(C)CCN(CCN(C)C)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631897942 439963691 /nfs/dbraw/zinc/96/36/91/439963691.db2.gz VKXZPYFYUKZUFC-UHFFFAOYSA-N 1 3 334.530 0.227 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000631945038 440001178 /nfs/dbraw/zinc/00/11/78/440001178.db2.gz NVAOSBSRJVHHIO-HUUCEWRRSA-N 1 3 333.498 0.486 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCc2ccccc2[C@H]1CN ZINC000631947238 440002777 /nfs/dbraw/zinc/00/27/77/440002777.db2.gz XRTBFTGCLWIMLO-MRXNPFEDSA-N 1 3 338.477 0.473 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(CCN)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000642724406 440016362 /nfs/dbraw/zinc/01/63/62/440016362.db2.gz NVFGQAVRWKIHAH-OAHLLOKOSA-N 1 3 346.475 0.820 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])Cc1ccccc1 ZINC000642723046 440016900 /nfs/dbraw/zinc/01/69/00/440016900.db2.gz QQHBWFDJVBXPTM-GOEBONIOSA-N 1 3 334.464 0.519 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000631974069 440019289 /nfs/dbraw/zinc/01/92/89/440019289.db2.gz SKDNHSCIBXHRBW-GWCFXTLKSA-N 1 3 329.470 0.172 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627161374 440027191 /nfs/dbraw/zinc/02/71/91/440027191.db2.gz KMIYLAJLJBLTRL-CQSZACIVSA-N 1 3 328.457 0.247 20 0 ECADHO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000642912491 440061733 /nfs/dbraw/zinc/06/17/33/440061733.db2.gz QHKCZUIILKDTEG-GJZGRUSLSA-N 1 3 336.480 0.849 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000658695402 440069806 /nfs/dbraw/zinc/06/98/06/440069806.db2.gz KLQQKKFQFQBZMY-MRXNPFEDSA-N 1 3 336.480 0.197 20 0 ECADHO C[NH+](C)CCC[C@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)CCO1 ZINC000663512726 440088374 /nfs/dbraw/zinc/08/83/74/440088374.db2.gz HNLFWNXWAZLTOE-HOTGVXAUSA-N 1 3 326.485 0.226 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000632129039 440089223 /nfs/dbraw/zinc/08/92/23/440089223.db2.gz CRHHWLHLNBQZOK-RRFJBIMHSA-N 1 3 333.498 0.451 20 0 ECADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000642903054 440054857 /nfs/dbraw/zinc/05/48/57/440054857.db2.gz AHRUUCNOSSVPPH-JKSUJKDBSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000642908478 440057760 /nfs/dbraw/zinc/05/77/60/440057760.db2.gz UHKOLKYIQJSECL-GFCCVEGCSA-N 1 3 340.855 0.694 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000653354283 440129971 /nfs/dbraw/zinc/12/99/71/440129971.db2.gz SSSOVSWKLSBXGM-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000637014871 440131239 /nfs/dbraw/zinc/13/12/39/440131239.db2.gz JSHSMTQGDITDBN-CABCVRRESA-N 1 3 337.468 0.077 20 0 ECADHO CN1CCN(CCCS(=O)(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000632257779 440136653 /nfs/dbraw/zinc/13/66/53/440136653.db2.gz BLOGISJDBFGWPL-UHFFFAOYSA-N 1 3 332.514 0.028 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663640992 440139376 /nfs/dbraw/zinc/13/93/76/440139376.db2.gz IYHAIOICNMRTCP-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000643398560 440140670 /nfs/dbraw/zinc/14/06/70/440140670.db2.gz UGKFEZVKOGSQDB-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000643398560 440140675 /nfs/dbraw/zinc/14/06/75/440140675.db2.gz UGKFEZVKOGSQDB-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000618304896 440097024 /nfs/dbraw/zinc/09/70/24/440097024.db2.gz CJKLDNNTAKJRPR-UHFFFAOYSA-N 1 3 334.464 0.840 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000647595563 440098992 /nfs/dbraw/zinc/09/89/92/440098992.db2.gz QJJYVCAZORNGCF-OLZOCXBDSA-N 1 3 342.484 0.234 20 0 ECADHO CCO[C@@H]1CN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C[C@H]1C[NH3+] ZINC000653247946 440102147 /nfs/dbraw/zinc/10/21/47/440102147.db2.gz YWUCQXVQMUHLCE-XKSGDERDSA-N 1 3 325.453 0.341 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000653429826 440168451 /nfs/dbraw/zinc/16/84/51/440168451.db2.gz OMKQAHLKIPKQQQ-OAHLLOKOSA-N 1 3 338.496 0.847 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000653429826 440168455 /nfs/dbraw/zinc/16/84/55/440168455.db2.gz OMKQAHLKIPKQQQ-OAHLLOKOSA-N 1 3 338.496 0.847 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)CC2 ZINC000643526228 440200711 /nfs/dbraw/zinc/20/07/11/440200711.db2.gz VMLIYOSOJIXCNY-XUWVNRHRSA-N 1 3 336.480 0.656 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643470236 440175838 /nfs/dbraw/zinc/17/58/38/440175838.db2.gz XDQIVRGPYOKYBC-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000643503554 440189252 /nfs/dbraw/zinc/18/92/52/440189252.db2.gz ZKXIIKPXNLVKBM-RDJZCZTQSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000643510629 440192581 /nfs/dbraw/zinc/19/25/81/440192581.db2.gz DVMWJQQMWKBRDE-PMPSAXMXSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)N1CCN(CCC[NH+]2CCC(c3nc(N)n[nH]3)CC2)CC1 ZINC000647932640 440192673 /nfs/dbraw/zinc/19/26/73/440192673.db2.gz KJBVFMIPJZIWNE-UHFFFAOYSA-N 1 3 335.500 0.982 20 0 ECADHO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659038619 440210138 /nfs/dbraw/zinc/21/01/38/440210138.db2.gz UFWYZRZZRKHHNS-RDJZCZTQSA-N 1 3 334.420 0.536 20 0 ECADHO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659038619 440210142 /nfs/dbraw/zinc/21/01/42/440210142.db2.gz UFWYZRZZRKHHNS-RDJZCZTQSA-N 1 3 334.420 0.536 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627446940 440211544 /nfs/dbraw/zinc/21/15/44/440211544.db2.gz XTRMPIRHWGJCAM-QLFBSQMISA-N 1 3 336.480 0.766 20 0 ECADHO C[NH+]1CCC(O)(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659036742 440212407 /nfs/dbraw/zinc/21/24/07/440212407.db2.gz SWYJMMGJQJDUCQ-MRXNPFEDSA-N 1 3 348.447 0.926 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000643571166 440213361 /nfs/dbraw/zinc/21/33/61/440213361.db2.gz AVEWTERBXDGRBG-PVAVHDDUSA-N 1 3 348.491 0.802 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000643571166 440213365 /nfs/dbraw/zinc/21/33/65/440213365.db2.gz AVEWTERBXDGRBG-PVAVHDDUSA-N 1 3 348.491 0.802 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000643593733 440217328 /nfs/dbraw/zinc/21/73/28/440217328.db2.gz MBZBVLCUNWNSRG-NCOADZHNSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000627478501 440231124 /nfs/dbraw/zinc/23/11/24/440231124.db2.gz NUPZLHBPKXVDDC-JONQDZQNSA-N 1 3 336.480 0.717 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000643545202 440207834 /nfs/dbraw/zinc/20/78/34/440207834.db2.gz MHLHZMLBIIYLJS-BMFZPTHFSA-N 1 3 336.480 0.657 20 0 ECADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN)c2)CCO1 ZINC000659113431 440259907 /nfs/dbraw/zinc/25/99/07/440259907.db2.gz FNBCNMHWGBXUCU-MRXNPFEDSA-N 1 3 348.447 0.653 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000664332513 440290855 /nfs/dbraw/zinc/29/08/55/440290855.db2.gz ZFZFONVHUMKUET-KBPBESRZSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000664332513 440290861 /nfs/dbraw/zinc/29/08/61/440290861.db2.gz ZFZFONVHUMKUET-KBPBESRZSA-N 1 3 339.484 0.321 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659483930 440339021 /nfs/dbraw/zinc/33/90/21/440339021.db2.gz CFOLMFGZRZSUNV-MRXNPFEDSA-N 1 3 326.485 0.986 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC2CC[NH+](C3CC3)CC2)n1 ZINC000659487251 440342481 /nfs/dbraw/zinc/34/24/81/440342481.db2.gz UUKJXOBVQBCSBW-UHFFFAOYSA-N 1 3 334.424 0.315 20 0 ECADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659555235 440362011 /nfs/dbraw/zinc/36/20/11/440362011.db2.gz PGZMINUAOTWOTK-JYJNAYRXSA-N 1 3 336.411 0.559 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000659445296 440328553 /nfs/dbraw/zinc/32/85/53/440328553.db2.gz QPTOMRGAUALUNR-OAHLLOKOSA-N 1 3 334.468 0.501 20 0 ECADHO N[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[C@H]1F ZINC000659456834 440330961 /nfs/dbraw/zinc/33/09/61/440330961.db2.gz YNFSXVXHKOWIQH-NWANDNLSSA-N 1 3 328.432 0.568 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659681611 440417116 /nfs/dbraw/zinc/41/71/16/440417116.db2.gz XQTNPRBDMJFFQC-MJBXVCDLSA-N 1 3 326.485 0.665 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000633039815 440417617 /nfs/dbraw/zinc/41/76/17/440417617.db2.gz UPNDGACOARUXNZ-WCQYABFASA-N 1 3 334.420 0.643 20 0 ECADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC2CC1(CN)C2)CC(C)C ZINC000659686022 440421114 /nfs/dbraw/zinc/42/11/14/440421114.db2.gz XOBMRZMVCUTHHK-SWKXRBFHSA-N 1 3 338.496 0.809 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)[C@]2(C[NH3+])CCCOC2)cc1 ZINC000638064256 440422082 /nfs/dbraw/zinc/42/20/82/440422082.db2.gz SPERONPDLDZTKD-SFHVURJKSA-N 1 3 335.448 0.999 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000659694409 440427638 /nfs/dbraw/zinc/42/76/38/440427638.db2.gz JNGQZEGAXBFTGP-CABCVRRESA-N 1 3 326.485 0.583 20 0 ECADHO CC(C)N1CCN(C2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659615195 440375016 /nfs/dbraw/zinc/37/50/16/440375016.db2.gz JHZRZTDKIFJKSS-UHFFFAOYSA-N 1 3 349.523 0.938 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000659618236 440375640 /nfs/dbraw/zinc/37/56/40/440375640.db2.gz DUSQWHSXCHECDF-OAHLLOKOSA-N 1 3 341.500 0.651 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000659629198 440381316 /nfs/dbraw/zinc/38/13/16/440381316.db2.gz QQNOTIVIRKTVTC-CHWSQXEVSA-N 1 3 348.451 0.562 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000659628931 440381740 /nfs/dbraw/zinc/38/17/40/440381740.db2.gz NASRVTXKJILAQC-ZDUSSCGKSA-N 1 3 348.451 0.562 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@@H]21 ZINC000659631710 440385598 /nfs/dbraw/zinc/38/55/98/440385598.db2.gz ZRDYHPRATKNKCE-YPMHNXCESA-N 1 3 334.424 0.267 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@@H]21 ZINC000659631710 440385605 /nfs/dbraw/zinc/38/56/05/440385605.db2.gz ZRDYHPRATKNKCE-YPMHNXCESA-N 1 3 334.424 0.267 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000659637499 440386438 /nfs/dbraw/zinc/38/64/38/440386438.db2.gz PIRJFUSEVCICBA-HNNXBMFYSA-N 1 3 325.501 0.794 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000633010268 440406222 /nfs/dbraw/zinc/40/62/22/440406222.db2.gz LKOULRMJERMBKI-LSDHHAIUSA-N 1 3 348.451 0.345 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659673876 440410429 /nfs/dbraw/zinc/41/04/29/440410429.db2.gz IVEWSLCLRDELFQ-WUJZJPHMSA-N 1 3 344.459 0.225 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)Cc1ccccc1 ZINC000659674187 440411197 /nfs/dbraw/zinc/41/11/97/440411197.db2.gz LFEMBARTFTZLTJ-WUJZJPHMSA-N 1 3 344.459 0.225 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCN(CC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000644197740 440470453 /nfs/dbraw/zinc/47/04/53/440470453.db2.gz YNICFBQNHWUKGH-HRCADAONSA-N 1 3 332.452 0.341 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000659735046 440472026 /nfs/dbraw/zinc/47/20/26/440472026.db2.gz CKRUUYMHESWGAW-UXLLHSPISA-N 1 3 348.491 0.720 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659737831 440473642 /nfs/dbraw/zinc/47/36/42/440473642.db2.gz WABCNOGATKVSLU-QLFBSQMISA-N 1 3 334.464 0.187 20 0 ECADHO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659736572 440473991 /nfs/dbraw/zinc/47/39/91/440473991.db2.gz NHLYTHNQCCGPEX-OAHLLOKOSA-N 1 3 336.480 0.707 20 0 ECADHO CO[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000665481715 440475345 /nfs/dbraw/zinc/47/53/45/440475345.db2.gz SRAWQLOLCGKKCJ-GJZGRUSLSA-N 1 3 330.473 0.173 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633086255 440434590 /nfs/dbraw/zinc/43/45/90/440434590.db2.gz NKDPCGDJSNWIAQ-GASCZTMLSA-N 1 3 334.464 0.426 20 0 ECADHO COCCN1CC[C@@H](NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638099767 440437334 /nfs/dbraw/zinc/43/73/34/440437334.db2.gz IQBBJMBACVEVNT-SJORKVTESA-N 1 3 334.464 0.283 20 0 ECADHO COCCN1CC[C@@H](NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638099767 440437338 /nfs/dbraw/zinc/43/73/38/440437338.db2.gz IQBBJMBACVEVNT-SJORKVTESA-N 1 3 334.464 0.283 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)CN2CCCC[C@H](N)C2=O)([NH+](C)C)C1 ZINC000649304970 440450058 /nfs/dbraw/zinc/45/00/58/440450058.db2.gz SJPXOYLKQKVWEE-VKJFTORMSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)COC2(C)CNC2)cc1 ZINC000649311342 440453418 /nfs/dbraw/zinc/45/34/18/440453418.db2.gz IYMWPCQEFGLELJ-UHFFFAOYSA-N 1 3 334.420 0.894 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000655000602 440455938 /nfs/dbraw/zinc/45/59/38/440455938.db2.gz WASMICDDSFTMCP-GOEBONIOSA-N 1 3 327.494 0.387 20 0 ECADHO COc1cccc(C[C@@H](N)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000638424965 440532591 /nfs/dbraw/zinc/53/25/91/440532591.db2.gz NEMHWWVBYAKGME-SJLPKXTDSA-N 1 3 347.459 0.935 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000638356934 440520678 /nfs/dbraw/zinc/52/06/78/440520678.db2.gz IMJHXTKWJWQPQD-OAGGEKHMSA-N 1 3 329.485 0.803 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000638405918 440531750 /nfs/dbraw/zinc/53/17/50/440531750.db2.gz GRYJZWQMXNULDO-JENIJYKNSA-N 1 3 347.459 0.636 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000649350463 440483314 /nfs/dbraw/zinc/48/33/14/440483314.db2.gz DWSCRMJCFUCGHT-MRXNPFEDSA-N 1 3 348.495 0.104 20 0 ECADHO N[C@@H]1CCCCN(CC(=O)NCc2cccc3c2CC[NH2+]C3)C1=O ZINC000638845168 440631486 /nfs/dbraw/zinc/63/14/86/440631486.db2.gz AEWXEMDXGQNQOL-MRXNPFEDSA-N 1 3 330.432 0.288 20 0 ECADHO CCN(CC)CC(=O)N1CC2CN(C(=O)C[NH+](CC)CC)CC2C1 ZINC000650400169 440634826 /nfs/dbraw/zinc/63/48/26/440634826.db2.gz QMCGRSQKBVGGIE-UHFFFAOYSA-N 1 3 338.496 0.587 20 0 ECADHO O=C(Nc1cc(N2CCNCC2)ccn1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000638983813 440657647 /nfs/dbraw/zinc/65/76/47/440657647.db2.gz GWTYULPTRNZPCA-LBPRGKRZSA-N 1 3 341.419 0.544 20 0 ECADHO CCN1CCN(CCC(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)CC1 ZINC000638986366 440659658 /nfs/dbraw/zinc/65/96/58/440659658.db2.gz LUNGIHCNBGRWOA-UHFFFAOYSA-N 1 3 346.479 0.457 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N1CCN(C)CC1 ZINC000655913862 440639868 /nfs/dbraw/zinc/63/98/68/440639868.db2.gz VXPKUYBEPZGMHG-VXGBXAGGSA-N 1 3 339.406 0.447 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000655919201 440644413 /nfs/dbraw/zinc/64/44/13/440644413.db2.gz GOUKNUYTEMJKAH-NSHDSACASA-N 1 3 325.379 0.201 20 0 ECADHO CC(C)(CNCC(=O)NCC[NH+]1CCCCCC1)N1CCOCC1 ZINC000639207379 440691601 /nfs/dbraw/zinc/69/16/01/440691601.db2.gz XVKVAKLPYVPVEM-UHFFFAOYSA-N 1 3 340.512 0.679 20 0 ECADHO O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000666770571 440688098 /nfs/dbraw/zinc/68/80/98/440688098.db2.gz KAIAGEROUJLWGL-OAHLLOKOSA-N 1 3 342.443 0.871 20 0 ECADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)CC2(O)CCOCC2)CCCO1 ZINC000634712899 440694729 /nfs/dbraw/zinc/69/47/29/440694729.db2.gz NOYKXUYYIFLMFX-HOTGVXAUSA-N 1 3 330.469 0.369 20 0 ECADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)CC2(O)CCOCC2)CCCO1 ZINC000634712899 440694733 /nfs/dbraw/zinc/69/47/33/440694733.db2.gz NOYKXUYYIFLMFX-HOTGVXAUSA-N 1 3 330.469 0.369 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000656029066 440700708 /nfs/dbraw/zinc/70/07/08/440700708.db2.gz UZFBEUBDFYEQTD-XHSDSOJGSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629551577 440725312 /nfs/dbraw/zinc/72/53/12/440725312.db2.gz WCWLGSRKPWBEBD-LEUOFYLZSA-N 1 3 334.464 0.624 20 0 ECADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)cc1 ZINC000667055267 440735218 /nfs/dbraw/zinc/73/52/18/440735218.db2.gz FEGVVMVJHHISBO-UHFFFAOYSA-N 1 3 349.479 0.296 20 0 ECADHO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629584359 440738669 /nfs/dbraw/zinc/73/86/69/440738669.db2.gz SLKDUDXGJJMOLI-XUVXKRRUSA-N 1 3 347.503 0.916 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656306189 440759129 /nfs/dbraw/zinc/75/91/29/440759129.db2.gz IZOVPABMSQFSNY-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656306189 440759136 /nfs/dbraw/zinc/75/91/36/440759136.db2.gz IZOVPABMSQFSNY-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000629797146 440764592 /nfs/dbraw/zinc/76/45/92/440764592.db2.gz WMISTFODTOKPBF-INIZCTEOSA-N 1 3 338.496 0.908 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645219060 440766190 /nfs/dbraw/zinc/76/61/90/440766190.db2.gz JWHSCJJBOQHXBN-HUUCEWRRSA-N 1 3 339.484 0.622 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645219060 440766195 /nfs/dbraw/zinc/76/61/95/440766195.db2.gz JWHSCJJBOQHXBN-HUUCEWRRSA-N 1 3 339.484 0.622 20 0 ECADHO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCN(c2ccncc2)CC1 ZINC000645221888 440766450 /nfs/dbraw/zinc/76/64/50/440766450.db2.gz SGYZBGUCSNZLAC-AWEZNQCLSA-N 1 3 341.419 0.388 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656315267 440766686 /nfs/dbraw/zinc/76/66/86/440766686.db2.gz JAMFFFSFZFWXAM-HRCADAONSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000645263189 440772336 /nfs/dbraw/zinc/77/23/36/440772336.db2.gz MBJFULHWDBXORT-HUUCEWRRSA-N 1 3 339.484 0.480 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000645263189 440772341 /nfs/dbraw/zinc/77/23/41/440772341.db2.gz MBJFULHWDBXORT-HUUCEWRRSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C(C)(C)C[NH+](C)C ZINC000645269511 440773364 /nfs/dbraw/zinc/77/33/64/440773364.db2.gz PLGFSDJWMZWREN-KGLIPLIRSA-N 1 3 341.500 0.724 20 0 ECADHO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757835 440786251 /nfs/dbraw/zinc/78/62/51/440786251.db2.gz MCZLHYFMKZOSQK-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000645456078 440810974 /nfs/dbraw/zinc/81/09/74/440810974.db2.gz IOUHUQWQJRHIME-CABCVRRESA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000645456078 440810984 /nfs/dbraw/zinc/81/09/84/440810984.db2.gz IOUHUQWQJRHIME-CABCVRRESA-N 1 3 339.484 0.480 20 0 ECADHO CO[C@]1(CO)CCCN(C/C=C/C[N@@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661385305 440847318 /nfs/dbraw/zinc/84/73/18/440847318.db2.gz MGOIJNCADIKPFH-GVKUHWBJSA-N 1 3 342.480 0.489 20 0 ECADHO CO[C@]1(CO)CCCN(C/C=C/C[N@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661385305 440847324 /nfs/dbraw/zinc/84/73/24/440847324.db2.gz MGOIJNCADIKPFH-GVKUHWBJSA-N 1 3 342.480 0.489 20 0 ECADHO NCC(=O)N1CCC[C@H](CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000656793921 440848844 /nfs/dbraw/zinc/84/88/44/440848844.db2.gz WNVXQIZJOHEEHS-PBHICJAKSA-N 1 3 332.448 0.957 20 0 ECADHO CN(CCN1CCN(C(=O)COCC[NH3+])CC1)Cc1ccccc1 ZINC000645933689 440948311 /nfs/dbraw/zinc/94/83/11/440948311.db2.gz PNDMLXJMQZXHMT-UHFFFAOYSA-N 1 3 334.464 0.238 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C2)C1 ZINC000661988513 440949353 /nfs/dbraw/zinc/94/93/53/440949353.db2.gz YBFJHGDMMXEFLW-FUHWJXTLSA-N 1 3 336.480 0.977 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C2)C1 ZINC000661988513 440949361 /nfs/dbraw/zinc/94/93/61/440949361.db2.gz YBFJHGDMMXEFLW-FUHWJXTLSA-N 1 3 336.480 0.977 20 0 ECADHO CN(C)CCN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000651890926 440964325 /nfs/dbraw/zinc/96/43/25/440964325.db2.gz ZDERLGOKHSYTSP-UHFFFAOYSA-N 1 3 348.491 0.833 20 0 ECADHO CC(C)C[N@H+](CCN(C)C)CCn1cc([C@@H](N)[C@H]2CCCO2)nn1 ZINC000630610301 440922365 /nfs/dbraw/zinc/92/23/65/440922365.db2.gz IWZRTMUGBMZNNL-IAGOWNOFSA-N 1 3 338.500 0.977 20 0 ECADHO CC(C)C[N@@H+](CCN(C)C)CCn1cc([C@@H](N)[C@H]2CCCO2)nn1 ZINC000630610301 440922368 /nfs/dbraw/zinc/92/23/68/440922368.db2.gz IWZRTMUGBMZNNL-IAGOWNOFSA-N 1 3 338.500 0.977 20 0 ECADHO CC(C)CN(CCn1cc([C@@H](N)[C@H]2CCCO2)nn1)CC[NH+](C)C ZINC000630610301 440922375 /nfs/dbraw/zinc/92/23/75/440922375.db2.gz IWZRTMUGBMZNNL-IAGOWNOFSA-N 1 3 338.500 0.977 20 0 ECADHO CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)n1 ZINC000662280461 441001706 /nfs/dbraw/zinc/00/17/06/441001706.db2.gz DUQXKUXJSRPCNA-CYBMUJFWSA-N 1 3 333.444 0.358 20 0 ECADHO CC(C)(C)n1nnc(CC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)n1 ZINC000662280461 441001712 /nfs/dbraw/zinc/00/17/12/441001712.db2.gz DUQXKUXJSRPCNA-CYBMUJFWSA-N 1 3 333.444 0.358 20 0 ECADHO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[C@H](N2CCCC2)C1 ZINC000662396888 441026644 /nfs/dbraw/zinc/02/66/44/441026644.db2.gz OHGOAIUVVHCHJD-HNNXBMFYSA-N 1 3 332.452 0.903 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662406245 441033542 /nfs/dbraw/zinc/03/35/42/441033542.db2.gz WOHZABNTHHHFJB-GOEBONIOSA-N 1 3 330.432 0.535 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652318296 441050316 /nfs/dbraw/zinc/05/03/16/441050316.db2.gz SMFMHFFJRURQFF-UHFFFAOYSA-N 1 3 325.501 0.655 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652347499 441057536 /nfs/dbraw/zinc/05/75/36/441057536.db2.gz CKSWACYLYZDMRV-MELADBBJSA-N 1 3 338.452 0.535 20 0 ECADHO CCN1CCN(CCNC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662525987 441064017 /nfs/dbraw/zinc/06/40/17/441064017.db2.gz NOOWXKTZBAMNST-UHFFFAOYSA-N 1 3 335.452 0.509 20 0 ECADHO C[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](C)CN1 ZINC000333629389 320921703 /nfs/dbraw/zinc/92/17/03/320921703.db2.gz GIASPGCPIQUZOD-WOPDTQHZSA-N 1 3 337.390 0.214 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000339671721 320995832 /nfs/dbraw/zinc/99/58/32/320995832.db2.gz PWJBPUZTZHZVBE-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000340214232 321023571 /nfs/dbraw/zinc/02/35/71/321023571.db2.gz ZTEGLGXCWPOUIM-MRXNPFEDSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000340214232 321023572 /nfs/dbraw/zinc/02/35/72/321023572.db2.gz ZTEGLGXCWPOUIM-MRXNPFEDSA-N 1 3 338.496 0.635 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340256218 321030344 /nfs/dbraw/zinc/03/03/44/321030344.db2.gz PDAFDNURTZVZLE-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340257661 321030633 /nfs/dbraw/zinc/03/06/33/321030633.db2.gz RSHKUKYBUBMTSN-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000340257661 321030634 /nfs/dbraw/zinc/03/06/34/321030634.db2.gz RSHKUKYBUBMTSN-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000340260624 321031514 /nfs/dbraw/zinc/03/15/14/321031514.db2.gz FGPWXQPBOUGQFD-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000340263849 321032389 /nfs/dbraw/zinc/03/23/89/321032389.db2.gz WWDUAMIECLVBKC-RBSFLKMASA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000348764002 321286987 /nfs/dbraw/zinc/28/69/87/321286987.db2.gz OJTNLZMOJLFJOZ-AWEZNQCLSA-N 1 3 336.480 0.553 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000353101921 321381840 /nfs/dbraw/zinc/38/18/40/321381840.db2.gz MDKYNCUFVBXHHT-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000353101921 321381842 /nfs/dbraw/zinc/38/18/42/321381842.db2.gz MDKYNCUFVBXHHT-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1cccc(F)c1 ZINC000531357953 322039245 /nfs/dbraw/zinc/03/92/45/322039245.db2.gz VIVDWMGCVXIWEP-UHFFFAOYSA-N 1 3 338.427 0.507 20 0 ECADHO Cc1ccccc1CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000562692224 322281394 /nfs/dbraw/zinc/28/13/94/322281394.db2.gz RHYKOZHQQSBTHS-UHFFFAOYSA-N 1 3 348.491 0.905 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000563076081 322296404 /nfs/dbraw/zinc/29/64/04/322296404.db2.gz HKSHIAKIBYWUSQ-IAGOWNOFSA-N 1 3 349.479 0.630 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000563140811 322300655 /nfs/dbraw/zinc/30/06/55/322300655.db2.gz GKQDCVKMMTYOFH-RHSMWYFYSA-N 1 3 346.475 0.918 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(C)CCCS1 ZINC000564015760 322358354 /nfs/dbraw/zinc/35/83/54/322358354.db2.gz IOYSGCAPQZMGMN-INIZCTEOSA-N 1 3 344.525 0.340 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)C2)nn1 ZINC000565529871 322461248 /nfs/dbraw/zinc/46/12/48/322461248.db2.gz ZNSRRFREBVLBPM-JKSUJKDBSA-N 1 3 349.483 0.991 20 0 ECADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+]1CCCCC1 ZINC000567522197 322586595 /nfs/dbraw/zinc/58/65/95/322586595.db2.gz IOVAWOKESPPODT-QLFBSQMISA-N 1 3 337.468 0.204 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc2c1CCNC2)C1CC1 ZINC000567710125 322594374 /nfs/dbraw/zinc/59/43/74/322594374.db2.gz PNFSHQVRQGAQPQ-MRXNPFEDSA-N 1 3 330.432 0.727 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000567917339 322606505 /nfs/dbraw/zinc/60/65/05/322606505.db2.gz IEJNKDYVQBXGPQ-ZBFHGGJFSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)N1CCC(C)CC1 ZINC000568893310 322636722 /nfs/dbraw/zinc/63/67/22/322636722.db2.gz FMBWZJGZEXVHMJ-HNNXBMFYSA-N 1 3 338.496 0.810 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000571186386 322713069 /nfs/dbraw/zinc/71/30/69/322713069.db2.gz HHBPQCAIHMJKSI-UHFFFAOYSA-N 1 3 336.480 0.851 20 0 ECADHO CCC[NH+](CCC)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572180920 322740717 /nfs/dbraw/zinc/74/07/17/322740717.db2.gz UQEZRDUIZNFWDP-LSDHHAIUSA-N 1 3 339.484 0.452 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000576962557 322821373 /nfs/dbraw/zinc/82/13/73/322821373.db2.gz TXLUAFLBWAJGEG-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000578353969 322862114 /nfs/dbraw/zinc/86/21/14/322862114.db2.gz CZTPXWDBXGMITB-UYTSQGDYSA-N 1 3 337.464 0.010 20 0 ECADHO C[NH+](C)CCCOC1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000578354162 322862184 /nfs/dbraw/zinc/86/21/84/322862184.db2.gz QDHVCWOBLJUZGT-INIZCTEOSA-N 1 3 327.469 0.714 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000578339763 517903780 /nfs/dbraw/zinc/90/37/80/517903780.db2.gz PRBDUDPDPJSSSH-UHFFFAOYSA-N 1 3 336.436 0.050 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2)cc1 ZINC000262554609 535539077 /nfs/dbraw/zinc/53/90/77/535539077.db2.gz UOHIGWZTMLISEE-CVEARBPZSA-N 1 3 348.447 0.420 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000342982650 546088582 /nfs/dbraw/zinc/08/85/82/546088582.db2.gz DYWDCEPONGQNHH-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417436253 546210685 /nfs/dbraw/zinc/21/06/85/546210685.db2.gz ZPQYZTOGRXRWJM-ILXRZTDVSA-N 1 3 339.484 0.498 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621845051 546575232 /nfs/dbraw/zinc/57/52/32/546575232.db2.gz AZRAYNBTDNSROV-GLJUWKHASA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H]1C[C@@H](CCNc2nc(N)nc(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000624061200 546874327 /nfs/dbraw/zinc/87/43/27/546874327.db2.gz XEFRAILDLSIGPB-GXTWGEPZSA-N 1 3 327.436 0.831 20 0 ECADHO C[C@H]1C[C@@H](CCNc2nc(N)nc(N)n2)C[N@H+]1Cc1ccccc1 ZINC000624061200 546874331 /nfs/dbraw/zinc/87/43/31/546874331.db2.gz XEFRAILDLSIGPB-GXTWGEPZSA-N 1 3 327.436 0.831 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625572643 547152901 /nfs/dbraw/zinc/15/29/01/547152901.db2.gz HJASYVZIFKXHQU-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625649615 547188437 /nfs/dbraw/zinc/18/84/37/547188437.db2.gz UPWNDMMJOHSIOJ-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625649615 547188443 /nfs/dbraw/zinc/18/84/43/547188443.db2.gz UPWNDMMJOHSIOJ-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625649615 547188446 /nfs/dbraw/zinc/18/84/46/547188446.db2.gz UPWNDMMJOHSIOJ-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000659696482 547448138 /nfs/dbraw/zinc/44/81/38/547448138.db2.gz ANMQGEFDGUWWQT-UHFFFAOYSA-N 1 3 346.475 0.747 20 0 ECADHO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1 ZINC000667229556 547488157 /nfs/dbraw/zinc/48/81/57/547488157.db2.gz UAUKONITWMGRQA-UHFFFAOYSA-N 1 3 348.447 0.778 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000667800738 547558675 /nfs/dbraw/zinc/55/86/75/547558675.db2.gz MSBHVGLSZPTHGH-AWEZNQCLSA-N 1 3 333.436 0.696 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000667800738 547558679 /nfs/dbraw/zinc/55/86/79/547558679.db2.gz MSBHVGLSZPTHGH-AWEZNQCLSA-N 1 3 333.436 0.696 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C[NH+]1CCCC1 ZINC000668581494 547691825 /nfs/dbraw/zinc/69/18/25/547691825.db2.gz FJJGJEUFFQLPDX-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670997178 548077798 /nfs/dbraw/zinc/07/77/98/548077798.db2.gz MFRORRRRHMINGF-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670997178 548077801 /nfs/dbraw/zinc/07/78/01/548077801.db2.gz MFRORRRRHMINGF-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100088 548090753 /nfs/dbraw/zinc/09/07/53/548090753.db2.gz JVLOXSLHJHHDLB-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100088 548090759 /nfs/dbraw/zinc/09/07/59/548090759.db2.gz JVLOXSLHJHHDLB-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671183131 548108434 /nfs/dbraw/zinc/10/84/34/548108434.db2.gz MOAAFCRAOFFXJR-FPCVCCKLSA-N 1 3 334.464 0.425 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671183131 548108437 /nfs/dbraw/zinc/10/84/37/548108437.db2.gz MOAAFCRAOFFXJR-FPCVCCKLSA-N 1 3 334.464 0.425 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000672012909 548256179 /nfs/dbraw/zinc/25/61/79/548256179.db2.gz DHPQDSITNBCVDU-FMKPAKJESA-N 1 3 338.496 0.678 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672305553 548302766 /nfs/dbraw/zinc/30/27/66/548302766.db2.gz TVFAFJMDLQSTQJ-HZPDHXFCSA-N 1 3 336.480 0.435 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672305553 548302770 /nfs/dbraw/zinc/30/27/70/548302770.db2.gz TVFAFJMDLQSTQJ-HZPDHXFCSA-N 1 3 336.480 0.435 20 0 ECADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672307642 548303483 /nfs/dbraw/zinc/30/34/83/548303483.db2.gz HROGDFISYMNWDS-MRXNPFEDSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000675964026 548776138 /nfs/dbraw/zinc/77/61/38/548776138.db2.gz WRZUEDBZIBLISB-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000675964026 548776142 /nfs/dbraw/zinc/77/61/42/548776142.db2.gz WRZUEDBZIBLISB-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cn(C)nn1 ZINC000679972836 549140674 /nfs/dbraw/zinc/14/06/74/549140674.db2.gz HYFCIQHIKMYHGZ-OAHLLOKOSA-N 1 3 337.472 0.373 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cn(C)nn1 ZINC000679972836 549140678 /nfs/dbraw/zinc/14/06/78/549140678.db2.gz HYFCIQHIKMYHGZ-OAHLLOKOSA-N 1 3 337.472 0.373 20 0 ECADHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681211573 549235677 /nfs/dbraw/zinc/23/56/77/549235677.db2.gz UZXIVCZFNLSNQL-NVXWUHKLSA-N 1 3 337.512 0.891 20 0 ECADHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681211573 549235681 /nfs/dbraw/zinc/23/56/81/549235681.db2.gz UZXIVCZFNLSNQL-NVXWUHKLSA-N 1 3 337.512 0.891 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCN1CCOCC1 ZINC000725716907 578133165 /nfs/dbraw/zinc/13/31/65/578133165.db2.gz AWQZOACIPVZWJO-QGZVFWFLSA-N 1 3 340.512 0.583 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCN1CCOCC1 ZINC000725716907 578133166 /nfs/dbraw/zinc/13/31/66/578133166.db2.gz AWQZOACIPVZWJO-QGZVFWFLSA-N 1 3 340.512 0.583 20 0 ECADHO CN1CCC(NC(=S)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000734308514 578356119 /nfs/dbraw/zinc/35/61/19/578356119.db2.gz FTOWUSAYGWADOX-MRXNPFEDSA-N 1 3 339.553 0.667 20 0 ECADHO CN1CCC(NC(=S)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000734308514 578356121 /nfs/dbraw/zinc/35/61/21/578356121.db2.gz FTOWUSAYGWADOX-MRXNPFEDSA-N 1 3 339.553 0.667 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000793708006 578936571 /nfs/dbraw/zinc/93/65/71/578936571.db2.gz HQBDXUFVTRRCCM-RBSFLKMASA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)N1CCCCC1 ZINC000793723287 578937782 /nfs/dbraw/zinc/93/77/82/578937782.db2.gz MFWPWVHJCWIBEY-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=S)NCC1CC[NH+](C)CC1 ZINC000769759694 579151136 /nfs/dbraw/zinc/15/11/36/579151136.db2.gz JKCGEENAASTWRA-OAHLLOKOSA-N 1 3 341.569 0.818 20 0 ECADHO CCNS(=O)(=O)CC[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000772978504 579218259 /nfs/dbraw/zinc/21/82/59/579218259.db2.gz NKHDKZBHBUHGSK-HUUCEWRRSA-N 1 3 335.514 0.652 20 0 ECADHO CN(CC1CCS(=O)(=O)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000774737732 579255038 /nfs/dbraw/zinc/25/50/38/579255038.db2.gz KACAAURKFPRRGK-KRWDZBQOSA-N 1 3 343.537 0.912 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1C[NH+]1CCCC1)C2=O ZINC000738106289 579605156 /nfs/dbraw/zinc/60/51/56/579605156.db2.gz XBISMAZYIYTPJD-HNNXBMFYSA-N 1 3 349.479 0.520 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H](C[NH+]3CCCC3)C1)C2=O ZINC000739875984 579720499 /nfs/dbraw/zinc/72/04/99/579720499.db2.gz LABNWZVXUDRJOW-OAHLLOKOSA-N 1 3 349.479 0.378 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841007499 588976177 /nfs/dbraw/zinc/97/61/77/588976177.db2.gz PCBQZGMXWZTNGR-CQSZACIVSA-N 1 3 348.447 0.811 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842096454 589011601 /nfs/dbraw/zinc/01/16/01/589011601.db2.gz BICSILRPXQNXKH-QGZVFWFLSA-N 1 3 346.475 0.795 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000891463621 586169879 /nfs/dbraw/zinc/16/98/79/586169879.db2.gz FWUANEWRVWSILL-HOTGVXAUSA-N 1 3 346.479 0.725 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895666677 586197231 /nfs/dbraw/zinc/19/72/31/586197231.db2.gz QLZAYCIXOXSVSK-JKSUJKDBSA-N 1 3 327.517 0.994 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000896043216 586219069 /nfs/dbraw/zinc/21/90/69/586219069.db2.gz OTSQSWXTDDYZFC-ARFHVFGLSA-N 1 3 338.496 0.763 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000896043216 586219072 /nfs/dbraw/zinc/21/90/72/586219072.db2.gz OTSQSWXTDDYZFC-ARFHVFGLSA-N 1 3 338.496 0.763 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000892281765 586242073 /nfs/dbraw/zinc/24/20/73/586242073.db2.gz LVWDKHWNPGRDKU-CQSZACIVSA-N 1 3 333.436 0.810 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000892487048 586269075 /nfs/dbraw/zinc/26/90/75/586269075.db2.gz UXZQYMMQOKIWIF-KGLIPLIRSA-N 1 3 326.485 0.909 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C(=O)NCCN(C)C ZINC000892559100 586273439 /nfs/dbraw/zinc/27/34/39/586273439.db2.gz GBDIVWUZPRCJKX-MJBXVCDLSA-N 1 3 327.473 0.115 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C2CN([C@H]3CCOC3)C2)CC1 ZINC000896899050 586276926 /nfs/dbraw/zinc/27/69/26/586276926.db2.gz YSXIQBSQKLFLDF-WBVHZDCISA-N 1 3 338.496 0.097 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000892641906 586278630 /nfs/dbraw/zinc/27/86/30/586278630.db2.gz ZKRGOHQMYXKROK-DLBZAZTESA-N 1 3 338.496 0.959 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000897313368 586297112 /nfs/dbraw/zinc/29/71/12/586297112.db2.gz BJDMMAMCNMVHKK-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO COC[C@]1(CN(C)C)COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000893224716 586317524 /nfs/dbraw/zinc/31/75/24/586317524.db2.gz ATVBUWRAOFIHFH-YQQAZPJKSA-N 1 3 327.469 0.522 20 0 ECADHO COC[C@]1(CN(C)C)COCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000893224716 586317526 /nfs/dbraw/zinc/31/75/26/586317526.db2.gz ATVBUWRAOFIHFH-YQQAZPJKSA-N 1 3 327.469 0.522 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000897560188 586344347 /nfs/dbraw/zinc/34/43/47/586344347.db2.gz JNZATLMMGDVOKL-LSDHHAIUSA-N 1 3 347.463 0.575 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897582527 586347233 /nfs/dbraw/zinc/34/72/33/586347233.db2.gz AWNDQAYAGCZUIE-AOIWGVFYSA-N 1 3 346.475 0.698 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897582527 586347236 /nfs/dbraw/zinc/34/72/36/586347236.db2.gz AWNDQAYAGCZUIE-AOIWGVFYSA-N 1 3 346.475 0.698 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000899666057 586494323 /nfs/dbraw/zinc/49/43/23/586494323.db2.gz BNQKMSZOVQHALD-GJZGRUSLSA-N 1 3 342.553 0.980 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000899664697 586494328 /nfs/dbraw/zinc/49/43/28/586494328.db2.gz OGXHINOXXZOXCS-OAGGEKHMSA-N 1 3 340.537 0.876 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000899664697 586494329 /nfs/dbraw/zinc/49/43/29/586494329.db2.gz OGXHINOXXZOXCS-OAGGEKHMSA-N 1 3 340.537 0.876 20 0 ECADHO C[NH+]1CCC(CNC(=S)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000899666878 586494400 /nfs/dbraw/zinc/49/44/00/586494400.db2.gz NENQPVFBHUYOGT-HOTGVXAUSA-N 1 3 340.537 0.734 20 0 ECADHO CC[C@@H](C(=O)N[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000900476060 586637108 /nfs/dbraw/zinc/63/71/08/586637108.db2.gz MAGJGQWYBJYYEL-ILXRZTDVSA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000900476060 586637110 /nfs/dbraw/zinc/63/71/10/586637110.db2.gz MAGJGQWYBJYYEL-ILXRZTDVSA-N 1 3 326.485 0.678 20 0 ECADHO CC[NH+](CC)CCN(CCOC)C(=O)C[C@]1(O)CCCN(C)C1 ZINC000900587047 586644082 /nfs/dbraw/zinc/64/40/82/586644082.db2.gz JVVQHTXOFKMATK-QGZVFWFLSA-N 1 3 329.485 0.650 20 0 ECADHO CN(C)CCn1nccc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000900684544 586655660 /nfs/dbraw/zinc/65/56/60/586655660.db2.gz BPCUOCWFVBEBBL-INIZCTEOSA-N 1 3 349.479 0.818 20 0 ECADHO CCOC(=O)C1([C@@H](C)NCc2cnc3n2CCOC3)CC[NH2+]CC1 ZINC000902514893 586741293 /nfs/dbraw/zinc/74/12/93/586741293.db2.gz VJVWELPYGYNLIR-CYBMUJFWSA-N 1 3 336.436 0.824 20 0 ECADHO CCOCCCNC(=O)[C@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492000 586779720 /nfs/dbraw/zinc/77/97/20/586779720.db2.gz IANXDAXHNIBALR-ZJOBFFGXSA-N 1 3 341.452 0.130 20 0 ECADHO C[C@@H]1CN(CC(=O)NC[C@H]2COc3ccccc3O2)C[C@H]1CC[NH3+] ZINC000903496635 586780107 /nfs/dbraw/zinc/78/01/07/586780107.db2.gz WLMNGXDGYRISBI-KFWWJZLASA-N 1 3 333.432 0.859 20 0 ECADHO CC(C)OCCOC[C@H](O)CN(C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903726744 586802261 /nfs/dbraw/zinc/80/22/61/586802261.db2.gz NYZWSWQVANWKJD-SJORKVTESA-N 1 3 344.496 0.879 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C[C@H]1[NH3+] ZINC000903728548 586802981 /nfs/dbraw/zinc/80/29/81/586802981.db2.gz QSRWEWHJEKYFMH-LSDHHAIUSA-N 1 3 336.480 0.659 20 0 ECADHO CS(=O)(=O)NCC1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903757112 586812144 /nfs/dbraw/zinc/81/21/44/586812144.db2.gz XXHCYYMSOWAVPW-HNNXBMFYSA-N 1 3 345.509 0.406 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@]43CN)CC[C@H]21 ZINC000904970818 586851338 /nfs/dbraw/zinc/85/13/38/586851338.db2.gz HYCYYNMQUWAZJP-ADAWSYLGSA-N 1 3 334.464 0.269 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@]43CN)CC[C@H]21 ZINC000904970818 586851339 /nfs/dbraw/zinc/85/13/39/586851339.db2.gz HYCYYNMQUWAZJP-ADAWSYLGSA-N 1 3 334.464 0.269 20 0 ECADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32CN)CC1 ZINC000905010271 586860545 /nfs/dbraw/zinc/86/05/45/586860545.db2.gz VLSRIAFSGLIJMG-DNVCBOLYSA-N 1 3 348.491 0.803 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@@H](O)CCC2(O)CCC2)C1 ZINC000905081565 586866883 /nfs/dbraw/zinc/86/68/83/586866883.db2.gz IDSQYOKOCLAUDD-CABCVRRESA-N 1 3 327.469 0.220 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@@H](O)CCC2(O)CCC2)C1 ZINC000905081565 586866885 /nfs/dbraw/zinc/86/68/85/586866885.db2.gz IDSQYOKOCLAUDD-CABCVRRESA-N 1 3 327.469 0.220 20 0 ECADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)C[C@]1(O)CCOC1 ZINC000905172258 586876604 /nfs/dbraw/zinc/87/66/04/586876604.db2.gz CVHNZODIYPBYEL-BSDSXHPESA-N 1 3 342.480 0.246 20 0 ECADHO CN1CCC[C@H](N2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)C1 ZINC000905338001 586887766 /nfs/dbraw/zinc/88/77/66/586887766.db2.gz CFVQFFATTLTUEW-INIZCTEOSA-N 1 3 344.525 0.028 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000905435095 586894147 /nfs/dbraw/zinc/89/41/47/586894147.db2.gz ZHYGWRQOFBAIGD-GOSISDBHSA-N 1 3 330.476 0.871 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000905435095 586894150 /nfs/dbraw/zinc/89/41/50/586894150.db2.gz ZHYGWRQOFBAIGD-GOSISDBHSA-N 1 3 330.476 0.871 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CC2)c(OCCN(C)C)c1 ZINC000906698278 586967946 /nfs/dbraw/zinc/96/79/46/586967946.db2.gz WALSOHJNKDVEJE-UHFFFAOYSA-N 1 3 334.420 0.481 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000906718983 586971231 /nfs/dbraw/zinc/97/12/31/586971231.db2.gz CAVIDYYTPLJIKM-NUEKZKHPSA-N 1 3 346.431 0.575 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000806327511 587092943 /nfs/dbraw/zinc/09/29/43/587092943.db2.gz AOPOKFADYGHQJT-OWCLPIDISA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817984304 587394533 /nfs/dbraw/zinc/39/45/33/587394533.db2.gz PYASCNXYPFFEFA-VKJFTORMSA-N 1 3 334.464 0.426 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000817990159 587395023 /nfs/dbraw/zinc/39/50/23/587395023.db2.gz YHEUWKIGBRRWEP-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)C2)C1 ZINC000817993893 587395628 /nfs/dbraw/zinc/39/56/28/587395628.db2.gz SSJOHXWVFQZTMC-MSOLQXFVSA-N 1 3 334.464 0.285 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1ncc2cccnc21 ZINC000824400813 587872407 /nfs/dbraw/zinc/87/24/07/587872407.db2.gz FINOTLNDIFWVSA-AWEZNQCLSA-N 1 3 332.452 0.820 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1ncc2cccnc21 ZINC000824400813 587872408 /nfs/dbraw/zinc/87/24/08/587872408.db2.gz FINOTLNDIFWVSA-AWEZNQCLSA-N 1 3 332.452 0.820 20 0 ECADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1[nH]nc2c1CNCC2 ZINC000831916858 588456789 /nfs/dbraw/zinc/45/67/89/588456789.db2.gz YARGDWQQPHAGCO-UHFFFAOYSA-N 1 3 328.420 0.654 20 0 ECADHO Cc1cc([C@H](N)CC(=O)NCCCN2CC[NH2+]CC2)cc(Cl)n1 ZINC000832213194 588475125 /nfs/dbraw/zinc/47/51/25/588475125.db2.gz QHDHUNRIRJOLLP-CQSZACIVSA-N 1 3 339.871 0.845 20 0 ECADHO CCCCCCN(C)CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000832526366 588487092 /nfs/dbraw/zinc/48/70/92/588487092.db2.gz ATLZQNJXKVXKDZ-HNNXBMFYSA-N 1 3 326.485 0.812 20 0 ECADHO O=[S@@]1C[C@@H]2C[C@H]1CN2CCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844433437 589110968 /nfs/dbraw/zinc/11/09/68/589110968.db2.gz MSWAFTMLJLMYLB-XJOCRTEASA-N 1 3 344.546 0.957 20 0 ECADHO O=[S@@]1C[C@@H]2C[C@H]1CN2CCCCCC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844433437 589110970 /nfs/dbraw/zinc/11/09/70/589110970.db2.gz MSWAFTMLJLMYLB-XJOCRTEASA-N 1 3 344.546 0.957 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)C[C@H]1C[NH3+] ZINC000846177230 589190385 /nfs/dbraw/zinc/19/03/85/589190385.db2.gz MRTZSSQNUQLMEQ-HYVNUMGLSA-N 1 3 332.448 0.879 20 0 ECADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NC[C@H](C2CC2)[NH+](C)C)cn1 ZINC000849506164 589338546 /nfs/dbraw/zinc/33/85/46/589338546.db2.gz VBTAHXZHGHPZEB-GVDBMIGSSA-N 1 3 333.480 0.912 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1N ZINC000850813202 589384831 /nfs/dbraw/zinc/38/48/31/589384831.db2.gz FWZLOUXWTFLUER-UHFFFAOYSA-N 1 3 335.452 0.468 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](CN)C1 ZINC000851686931 589414281 /nfs/dbraw/zinc/41/42/81/589414281.db2.gz KHAXHAZLLFQDBR-HIFRSBDPSA-N 1 3 338.496 0.951 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000851688379 589414673 /nfs/dbraw/zinc/41/46/73/589414673.db2.gz YLQVYRFCBIONFV-MRXNPFEDSA-N 1 3 346.475 0.793 20 0 ECADHO [NH3+]C[C@@H]1CC(C(=O)NCC2(N3CCSCC3)CCCC2)=NO1 ZINC000852860657 589519008 /nfs/dbraw/zinc/51/90/08/589519008.db2.gz UEEPDUZWLZWBGQ-LBPRGKRZSA-N 1 3 326.466 0.568 20 0 ECADHO NC[C@@H]1CC(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)=NO1 ZINC000852882004 589521270 /nfs/dbraw/zinc/52/12/70/589521270.db2.gz VEWOACXFQYQOTE-AEGPPILISA-N 1 3 334.395 0.739 20 0 ECADHO C[C@@H](NNCC1(N)CC[NH+](Cc2ccccc2)CC1)c1ncnn1C ZINC000852892381 589522975 /nfs/dbraw/zinc/52/29/75/589522975.db2.gz JSPGFODFACYSQB-OAHLLOKOSA-N 1 3 343.479 0.964 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000852916512 589525567 /nfs/dbraw/zinc/52/55/67/589525567.db2.gz LBVZJRYATNGUBV-UHFFFAOYSA-N 1 3 334.464 0.902 20 0 ECADHO CCOC(=O)[C@H]1NCC[C@@H]1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000854216622 589575147 /nfs/dbraw/zinc/57/51/47/589575147.db2.gz BHNZAJWLGZXCNZ-IRXDYDNUSA-N 1 3 339.480 0.761 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000855346580 589627493 /nfs/dbraw/zinc/62/74/93/589627493.db2.gz FZZOMQWCTFPICN-YOEHRIQHSA-N 1 3 347.463 0.963 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000855346580 589627495 /nfs/dbraw/zinc/62/74/95/589627495.db2.gz FZZOMQWCTFPICN-YOEHRIQHSA-N 1 3 347.463 0.963 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000857096565 589686224 /nfs/dbraw/zinc/68/62/24/589686224.db2.gz CJORDNHUMIMIOC-AWEZNQCLSA-N 1 3 347.463 0.621 20 0 ECADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(CCCOCC(F)(F)F)C1 ZINC000866708807 589760551 /nfs/dbraw/zinc/76/05/51/589760551.db2.gz HBTNIXGVYHIFTA-TUAOUCFPSA-N 1 3 337.342 0.822 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCOC(=O)N1 ZINC000859039579 589794946 /nfs/dbraw/zinc/79/49/46/589794946.db2.gz HYJOEAJBEVQJIQ-UONOGXRCSA-N 1 3 326.441 0.359 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCOC(=O)N1 ZINC000859039579 589794947 /nfs/dbraw/zinc/79/49/47/589794947.db2.gz HYJOEAJBEVQJIQ-UONOGXRCSA-N 1 3 326.441 0.359 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000861511849 589858123 /nfs/dbraw/zinc/85/81/23/589858123.db2.gz RDSSFFIFQYXBHR-UHFFFAOYSA-N 1 3 347.463 0.574 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@@H]21 ZINC000868165480 589877265 /nfs/dbraw/zinc/87/72/65/589877265.db2.gz BXBOCIZNUCAHHL-ZFWWWQNUSA-N 1 3 345.451 0.444 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@@H]21 ZINC000868165480 589877268 /nfs/dbraw/zinc/87/72/68/589877268.db2.gz BXBOCIZNUCAHHL-ZFWWWQNUSA-N 1 3 345.451 0.444 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1CC1 ZINC000868228844 589882194 /nfs/dbraw/zinc/88/21/94/589882194.db2.gz IEAQTGWXYNULRU-XHSDSOJGSA-N 1 3 330.432 0.896 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861731118 589882836 /nfs/dbraw/zinc/88/28/36/589882836.db2.gz QDJIRFKAXAZUKM-KBPBESRZSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861748012 589886124 /nfs/dbraw/zinc/88/61/24/589886124.db2.gz KDEOFOJTRFEHMF-UONOGXRCSA-N 1 3 347.463 0.529 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000861748009 589886194 /nfs/dbraw/zinc/88/61/94/589886194.db2.gz KDEOFOJTRFEHMF-KBPBESRZSA-N 1 3 347.463 0.529 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000861749656 589886646 /nfs/dbraw/zinc/88/66/46/589886646.db2.gz GDOLIYWBRCFCMQ-ZDUSSCGKSA-N 1 3 336.436 0.049 20 0 ECADHO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000868567686 589914078 /nfs/dbraw/zinc/91/40/78/589914078.db2.gz WKSSQOMTZXCDAP-IHRRRGAJSA-N 1 3 342.484 0.992 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC[C@H]21 ZINC000868782623 589926880 /nfs/dbraw/zinc/92/68/80/589926880.db2.gz BABNOUFOPFOOID-DJIMGWMZSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC[C@H]21 ZINC000868782623 589926883 /nfs/dbraw/zinc/92/68/83/589926883.db2.gz BABNOUFOPFOOID-DJIMGWMZSA-N 1 3 336.480 0.975 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CCC23CC(C2)C[NH2+]3)cn1 ZINC000870892449 590037700 /nfs/dbraw/zinc/03/77/00/590037700.db2.gz AMTIPFSMBMGMCT-UHFFFAOYSA-N 1 3 348.451 0.032 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998481 590044155 /nfs/dbraw/zinc/04/41/55/590044155.db2.gz CQPCEGCERNBKCM-TUVASFSCSA-N 1 3 336.436 0.254 20 0 ECADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)C[NH+](CC)CC)CCO1 ZINC000871461551 590071680 /nfs/dbraw/zinc/07/16/80/590071680.db2.gz KDSCXKRJAXZKKK-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO CCN(CC)CC(=O)N1CCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC000871461551 590071682 /nfs/dbraw/zinc/07/16/82/590071682.db2.gz KDSCXKRJAXZKKK-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000872146314 590097805 /nfs/dbraw/zinc/09/78/05/590097805.db2.gz LCKMAJLWNOJOOO-IKGGRYGDSA-N 1 3 338.496 0.023 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1COc2ccc(O)cc2O1 ZINC000865177838 590130093 /nfs/dbraw/zinc/13/00/93/590130093.db2.gz MNTKNXYEHGSVME-MRXNPFEDSA-N 1 3 337.420 0.484 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000875459788 590303496 /nfs/dbraw/zinc/30/34/96/590303496.db2.gz IVUASSBLYJFAKJ-SWKXRBFHSA-N 1 3 338.496 0.966 20 0 ECADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCCN1CCC(O)CC1 ZINC000876724389 590404072 /nfs/dbraw/zinc/40/40/72/590404072.db2.gz VMIHGNMVINIZQZ-OAHLLOKOSA-N 1 3 349.479 0.693 20 0 ECADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CNCCC1(F)F ZINC000876866680 590420661 /nfs/dbraw/zinc/42/06/61/590420661.db2.gz WENGQBCDQMLNAJ-NWDGAFQWSA-N 1 3 327.379 0.843 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876880830 590422164 /nfs/dbraw/zinc/42/21/64/590422164.db2.gz NTKMUCHXQNWUSR-ZIAGYGMSSA-N 1 3 325.453 0.751 20 0 ECADHO CS[C@@H]1CN(CC(=O)NC2CCN(C)CC2)C[C@H]1[NH+]1CCCC1 ZINC000878429714 590520705 /nfs/dbraw/zinc/52/07/05/590520705.db2.gz NGUXZXROMLNEGB-HZPDHXFCSA-N 1 3 340.537 0.708 20 0 ECADHO CC(C)CN1N=C(C(=O)N(CCN(C)C)CC[NH+](C)C)CCC1=O ZINC000127303560 590538706 /nfs/dbraw/zinc/53/87/06/590538706.db2.gz CJPZYZFTULEQOC-UHFFFAOYSA-N 1 3 339.484 0.573 20 0 ECADHO O=C(CC[N@@H+]1CCNCCC12CCC2)NC(=O)NCC(F)(F)F ZINC000883458645 590619517 /nfs/dbraw/zinc/61/95/17/590619517.db2.gz RQLVVZAWUZRSIF-UHFFFAOYSA-N 1 3 336.358 0.983 20 0 ECADHO O=C(CC[N@H+]1CCNCCC12CCC2)NC(=O)NCC(F)(F)F ZINC000883458645 590619518 /nfs/dbraw/zinc/61/95/18/590619518.db2.gz RQLVVZAWUZRSIF-UHFFFAOYSA-N 1 3 336.358 0.983 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC000883639438 590637535 /nfs/dbraw/zinc/63/75/35/590637535.db2.gz PKJWBVHXMFYBOC-KKUMJFAQSA-N 1 3 345.447 0.314 20 0 ECADHO CN(C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C1(CN)CCCCC1 ZINC000883655197 590644128 /nfs/dbraw/zinc/64/41/28/590644128.db2.gz XUKQBXMJJVJIIK-GJZGRUSLSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C1(CN)CCCCC1 ZINC000883655197 590644132 /nfs/dbraw/zinc/64/41/32/590644132.db2.gz XUKQBXMJJVJIIK-GJZGRUSLSA-N 1 3 336.480 0.659 20 0 ECADHO [NH3+]CC[C@H](NC(=O)c1ccnc(N2CCNCC2)c1)C(F)(F)F ZINC000884303158 590799909 /nfs/dbraw/zinc/79/99/09/590799909.db2.gz IDIIJKQBIGIGLU-NSHDSACASA-N 1 3 331.342 0.501 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)CN1C1CC1 ZINC000884554424 590856026 /nfs/dbraw/zinc/85/60/26/590856026.db2.gz UDGRDSVCLNSBDG-KGLIPLIRSA-N 1 3 334.464 0.472 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884576480 590861891 /nfs/dbraw/zinc/86/18/91/590861891.db2.gz IPAFTNHLWHTLSO-ZDUSSCGKSA-N 1 3 346.422 0.196 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000884618148 590873633 /nfs/dbraw/zinc/87/36/33/590873633.db2.gz XUUPGIQJPJECCL-OAHLLOKOSA-N 1 3 326.485 0.955 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884659173 590885921 /nfs/dbraw/zinc/88/59/21/590885921.db2.gz KDDSSEZAYLNWLW-AWEZNQCLSA-N 1 3 326.485 0.729 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCNCCC12CCC2 ZINC000884669972 590887637 /nfs/dbraw/zinc/88/76/37/590887637.db2.gz LSBWZOOTUHPVAN-HUUCEWRRSA-N 1 3 334.464 0.474 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCNCCC12CCC2 ZINC000884669972 590887638 /nfs/dbraw/zinc/88/76/38/590887638.db2.gz LSBWZOOTUHPVAN-HUUCEWRRSA-N 1 3 334.464 0.474 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884683032 590892652 /nfs/dbraw/zinc/89/26/52/590892652.db2.gz SKOCKEOBUDXSTO-HUUCEWRRSA-N 1 3 345.447 0.377 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC2CCC([NH3+])CC2)CCN1c1ccncc1 ZINC000884684789 590893228 /nfs/dbraw/zinc/89/32/28/590893228.db2.gz PKSUMBYWEQZVQS-WLYUNCDWSA-N 1 3 345.447 0.505 20 0 ECADHO CN1CCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)CCC1(C)C ZINC000884685547 590894443 /nfs/dbraw/zinc/89/44/43/590894443.db2.gz LAJVKQQWWPPUOU-UHFFFAOYSA-N 1 3 346.475 0.747 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884690875 590897252 /nfs/dbraw/zinc/89/72/52/590897252.db2.gz OOANGIAFIUSPDB-OAHLLOKOSA-N 1 3 347.463 0.623 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1c1ccncc1 ZINC000884694852 590899801 /nfs/dbraw/zinc/89/98/01/590899801.db2.gz ZATHVERDPCSXFU-LSDHHAIUSA-N 1 3 345.447 0.377 20 0 ECADHO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000884706680 590903804 /nfs/dbraw/zinc/90/38/04/590903804.db2.gz KRJPPQXNKITVAJ-OAHLLOKOSA-N 1 3 336.480 0.707 20 0 ECADHO CCN(C(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000887068356 590936372 /nfs/dbraw/zinc/93/63/72/590936372.db2.gz JZVBWNDRBVZYJV-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C1 ZINC000887091674 590943212 /nfs/dbraw/zinc/94/32/12/590943212.db2.gz SBTQCCXNXCWIEN-HUUCEWRRSA-N 1 3 345.447 0.329 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000926378866 611544271 /nfs/dbraw/zinc/54/42/71/611544271.db2.gz DGGMKRCHMXEUFB-CRAIPNDOSA-N 1 3 336.480 0.672 20 0 ECADHO CCO[C@@H](CNC(=O)N(C)CCCN1CCN(C)CC1)C[NH+](C)C ZINC000926843847 611571738 /nfs/dbraw/zinc/57/17/38/611571738.db2.gz XTRMRHUCXRTFAP-INIZCTEOSA-N 1 3 343.516 0.232 20 0 ECADHO CCO[C@@H](CNC(=O)NC[C@@H]1CCN1C1CCOCC1)C[NH+](C)C ZINC000926849677 611572684 /nfs/dbraw/zinc/57/26/84/611572684.db2.gz FGYHAHVHYBWNCY-HOTGVXAUSA-N 1 3 342.484 0.506 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)c1 ZINC000927840733 611640955 /nfs/dbraw/zinc/64/09/55/611640955.db2.gz MBVKMLPQMGLNLD-UHFFFAOYSA-N 1 3 347.463 0.226 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)CN3CCSC3=O)CC2)CC1 ZINC000050800794 608712045 /nfs/dbraw/zinc/71/20/45/608712045.db2.gz UXCMXHGBBDUBQF-UHFFFAOYSA-N 1 3 340.493 0.830 20 0 ECADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948631843 611672592 /nfs/dbraw/zinc/67/25/92/611672592.db2.gz QYYADPMSMXHUDN-LPMVOBIJSA-N 1 3 337.464 0.155 20 0 ECADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948631843 611672593 /nfs/dbraw/zinc/67/25/93/611672593.db2.gz QYYADPMSMXHUDN-LPMVOBIJSA-N 1 3 337.464 0.155 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CCN1c1cc[nH+]cc1 ZINC000910553143 609731623 /nfs/dbraw/zinc/73/16/23/609731623.db2.gz DKGWGHWGUYNRLM-AWEZNQCLSA-N 1 3 333.436 0.139 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000910964008 609783608 /nfs/dbraw/zinc/78/36/08/609783608.db2.gz WDUJHIFKWQJLLS-IKGGRYGDSA-N 1 3 346.475 0.519 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])N1CCCCC1 ZINC000910947420 609785233 /nfs/dbraw/zinc/78/52/33/609785233.db2.gz YFCYJCGFENGHBJ-KBRIMQKVSA-N 1 3 344.459 0.718 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000911006569 609793663 /nfs/dbraw/zinc/79/36/63/609793663.db2.gz FWOQUQYXRFEHGI-UAGQMJEPSA-N 1 3 346.475 0.867 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911054177 609795558 /nfs/dbraw/zinc/79/55/58/609795558.db2.gz GGOYAJCUXTZJEJ-USXIJHARSA-N 1 3 344.459 0.718 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911054185 609795669 /nfs/dbraw/zinc/79/56/69/609795669.db2.gz GOTPJIPRPRSPRG-HDMKZQKVSA-N 1 3 336.480 0.625 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911054593 609795702 /nfs/dbraw/zinc/79/57/02/609795702.db2.gz IWQBJMKWUPJOPW-CRAIPNDOSA-N 1 3 336.480 0.722 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911055342 609795959 /nfs/dbraw/zinc/79/59/59/609795959.db2.gz NKWNUKCTEMZCAG-IIDMSEBBSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000911258180 609837673 /nfs/dbraw/zinc/83/76/73/609837673.db2.gz NVMHZDIKCVHOFW-KFWWJZLASA-N 1 3 338.496 0.585 20 0 ECADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938544276 609849040 /nfs/dbraw/zinc/84/90/40/609849040.db2.gz NZOKPCVRWVTTFO-DLBZAZTESA-N 1 3 348.491 0.483 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000911357203 609855604 /nfs/dbraw/zinc/85/56/04/609855604.db2.gz FXLXHQJERIXKAR-CQSZACIVSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000911375609 609864799 /nfs/dbraw/zinc/86/47/99/609864799.db2.gz ZXZVQMRTWRWQKV-TZMCWYRMSA-N 1 3 338.477 0.362 20 0 ECADHO CCN1CCN(CCCNC(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000915127468 609905682 /nfs/dbraw/zinc/90/56/82/609905682.db2.gz WQQPUSRISLIIJL-INIZCTEOSA-N 1 3 341.569 0.962 20 0 ECADHO CCN1CCN(CCCNC(=S)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000915127468 609905684 /nfs/dbraw/zinc/90/56/84/609905684.db2.gz WQQPUSRISLIIJL-INIZCTEOSA-N 1 3 341.569 0.962 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000938913156 610040549 /nfs/dbraw/zinc/04/05/49/610040549.db2.gz DZTBBPYYZYMKDO-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000939234094 610124080 /nfs/dbraw/zinc/12/40/80/610124080.db2.gz DBPHLUMEMSSUQY-DZKIICNBSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000939234094 610124081 /nfs/dbraw/zinc/12/40/81/610124081.db2.gz DBPHLUMEMSSUQY-DZKIICNBSA-N 1 3 347.463 0.742 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908318 610168690 /nfs/dbraw/zinc/16/86/90/610168690.db2.gz MTDCZQKXFNKMDT-OAHLLOKOSA-N 1 3 345.447 0.640 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)N(C)C ZINC000941488907 610339345 /nfs/dbraw/zinc/33/93/45/610339345.db2.gz LAEOEYKCFYLNQT-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)N(C)C ZINC000941488907 610339347 /nfs/dbraw/zinc/33/93/47/610339347.db2.gz LAEOEYKCFYLNQT-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC000940770545 610353945 /nfs/dbraw/zinc/35/39/45/610353945.db2.gz TXPWAKKTDQHUJN-QXSJWSMHSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC000940770545 610353947 /nfs/dbraw/zinc/35/39/47/610353947.db2.gz TXPWAKKTDQHUJN-QXSJWSMHSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000940756124 610358431 /nfs/dbraw/zinc/35/84/31/610358431.db2.gz NGNZPFOIDCUCRO-FPCVCCKLSA-N 1 3 338.496 0.630 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000940756124 610358434 /nfs/dbraw/zinc/35/84/34/610358434.db2.gz NGNZPFOIDCUCRO-FPCVCCKLSA-N 1 3 338.496 0.630 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)CN2CCCC2)CC1 ZINC000941111725 610541428 /nfs/dbraw/zinc/54/14/28/610541428.db2.gz JDVILWVMMDOEMI-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCCN(C(=O)CN2CCCC2)CC1 ZINC000941111725 610541430 /nfs/dbraw/zinc/54/14/30/610541430.db2.gz JDVILWVMMDOEMI-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO C[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1cnccc1N(C)C ZINC000944171495 610764371 /nfs/dbraw/zinc/76/43/71/610764371.db2.gz XSOFWIMTQMSCKB-ZFWWWQNUSA-N 1 3 347.463 0.676 20 0 ECADHO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1cnccc1N(C)C ZINC000944171495 610764372 /nfs/dbraw/zinc/76/43/72/610764372.db2.gz XSOFWIMTQMSCKB-ZFWWWQNUSA-N 1 3 347.463 0.676 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000945551672 611075137 /nfs/dbraw/zinc/07/51/37/611075137.db2.gz URUVSPJHRHRJLL-CJNGLKHVSA-N 1 3 347.463 0.647 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000923005301 611192085 /nfs/dbraw/zinc/19/20/85/611192085.db2.gz RFGATVUUKSDOHJ-CQSZACIVSA-N 1 3 337.468 0.029 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000923010407 611192109 /nfs/dbraw/zinc/19/21/09/611192109.db2.gz QFYTXIWEVXIHIN-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO CC(C)OCC[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413498 611240600 /nfs/dbraw/zinc/24/06/00/611240600.db2.gz GJZQVGIOELAFNC-YJNKXOJESA-N 1 3 327.425 0.029 20 0 ECADHO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518606 611297662 /nfs/dbraw/zinc/29/76/62/611297662.db2.gz ZEABOVKNOFPPEE-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518606 611297664 /nfs/dbraw/zinc/29/76/64/611297664.db2.gz ZEABOVKNOFPPEE-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO O=S(=O)(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CNC1 ZINC000923615365 611329778 /nfs/dbraw/zinc/32/97/78/611329778.db2.gz KHRMAGALNVLUBI-UHFFFAOYSA-N 1 3 339.461 0.035 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(C)([NH+]3CCC3)CC2)CC1=O ZINC000922174747 611341543 /nfs/dbraw/zinc/34/15/43/611341543.db2.gz FGTIZYDXYLHUER-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000929404364 611752197 /nfs/dbraw/zinc/75/21/97/611752197.db2.gz XICRAAIHAGRLHQ-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000950074348 611858030 /nfs/dbraw/zinc/85/80/30/611858030.db2.gz OAWTXOBNKSTAEE-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000950074348 611858032 /nfs/dbraw/zinc/85/80/32/611858032.db2.gz OAWTXOBNKSTAEE-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO COCC[NH+]1CCC2(CC1)CN(C(=O)C1(N(C)C)CCC1)CCO2 ZINC000949111864 611858679 /nfs/dbraw/zinc/85/86/79/611858679.db2.gz HBUMTINPGXPFNH-UHFFFAOYSA-N 1 3 339.480 0.811 20 0 ECADHO C[C@H](O)C[NH+]1CCC2(CC1)CN(C(=O)C1(N(C)C)CCC1)CCO2 ZINC000949111855 611858873 /nfs/dbraw/zinc/85/88/73/611858873.db2.gz GSGLKJPZUUHYMR-HNNXBMFYSA-N 1 3 339.480 0.545 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904586 612418856 /nfs/dbraw/zinc/41/88/56/612418856.db2.gz GCFWXVXIZJEINQ-CVEARBPZSA-N 1 3 336.480 0.623 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904586 612418859 /nfs/dbraw/zinc/41/88/59/612418859.db2.gz GCFWXVXIZJEINQ-CVEARBPZSA-N 1 3 336.480 0.623 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954821818 612714159 /nfs/dbraw/zinc/71/41/59/612714159.db2.gz CPTKPRVDHXNFKT-OAHLLOKOSA-N 1 3 334.464 0.378 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000954841727 612737270 /nfs/dbraw/zinc/73/72/70/612737270.db2.gz DWIVGVIOGCMBAS-UHFFFAOYSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000956227994 612789213 /nfs/dbraw/zinc/78/92/13/612789213.db2.gz OEYKCFJPQSOYCQ-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)C(=O)CN1CCC2(CCCN2c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001165011929 721737297 /nfs/dbraw/zinc/73/72/97/721737297.db2.gz XYSHWQRYEIJMIO-UHFFFAOYSA-N 1 3 344.463 0.603 20 0 ECADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024964944 738434189 /nfs/dbraw/zinc/43/41/89/738434189.db2.gz RCSQCJJRLJBBDI-WBVHZDCISA-N 1 3 346.479 0.628 20 0 ECADHO CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2)C1CC1 ZINC000969208599 731599337 /nfs/dbraw/zinc/59/93/37/731599337.db2.gz VHGLODYVNOEAQV-WCXIOVBPSA-N 1 3 348.491 0.480 20 0 ECADHO CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2)C1CC1 ZINC000969208599 731599342 /nfs/dbraw/zinc/59/93/42/731599342.db2.gz VHGLODYVNOEAQV-WCXIOVBPSA-N 1 3 348.491 0.480 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000969595325 731993072 /nfs/dbraw/zinc/99/30/72/731993072.db2.gz VRVSQMZUXZLFDU-RRFJBIMHSA-N 1 3 343.493 0.096 20 0 ECADHO C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001078073500 782252766 /nfs/dbraw/zinc/25/27/66/782252766.db2.gz IYDZPDKABZSVGZ-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000969845468 732433242 /nfs/dbraw/zinc/43/32/42/732433242.db2.gz DBCSPPXVCNUIPT-NVXWUHKLSA-N 1 3 334.464 0.662 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001209474369 732982044 /nfs/dbraw/zinc/98/20/44/732982044.db2.gz HXRCVXIUWQFUJQ-JKSUJKDBSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167232578 733076995 /nfs/dbraw/zinc/07/69/95/733076995.db2.gz IASVSNRDVDIBRW-KRWDZBQOSA-N 1 3 342.459 0.560 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167236298 733082661 /nfs/dbraw/zinc/08/26/61/733082661.db2.gz JVPYHNQBMVMNQD-ZBFHGGJFSA-N 1 3 348.495 0.872 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236298 733082667 /nfs/dbraw/zinc/08/26/67/733082667.db2.gz JVPYHNQBMVMNQD-ZBFHGGJFSA-N 1 3 348.495 0.872 20 0 ECADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H](NCc3cncs3)C2)CC1 ZINC000970355367 733405260 /nfs/dbraw/zinc/40/52/60/733405260.db2.gz MFCRFLLKSNZHEW-CYBMUJFWSA-N 1 3 338.477 0.944 20 0 ECADHO Cc1ncc(CN[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC000970356091 733406754 /nfs/dbraw/zinc/40/67/54/733406754.db2.gz UHGKFHNGHJYQJH-MRXNPFEDSA-N 1 3 347.463 0.586 20 0 ECADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001104256612 733416270 /nfs/dbraw/zinc/41/62/70/733416270.db2.gz IDUCOTYSJYUDAZ-KFWWJZLASA-N 1 3 344.475 0.487 20 0 ECADHO CO[C@@H](C)CN1CC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970557856 733671727 /nfs/dbraw/zinc/67/17/27/733671727.db2.gz OESCAKIPXVIHMN-UONOGXRCSA-N 1 3 337.468 0.530 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(CCCN2CCCC2=O)C1 ZINC000970743584 733900169 /nfs/dbraw/zinc/90/01/69/733900169.db2.gz BGQXCVQMFMSEQY-HNNXBMFYSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC000970787721 733940742 /nfs/dbraw/zinc/94/07/42/733940742.db2.gz DUXZAFWHGJASGT-NVXWUHKLSA-N 1 3 344.459 0.783 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccnn3C)C2)CCC1 ZINC000971675093 734935973 /nfs/dbraw/zinc/93/59/73/734935973.db2.gz XIGASZKQQOFJPQ-MRXNPFEDSA-N 1 3 333.480 0.980 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccnn3C)C2)CCC1 ZINC000971675093 734935975 /nfs/dbraw/zinc/93/59/75/734935975.db2.gz XIGASZKQQOFJPQ-MRXNPFEDSA-N 1 3 333.480 0.980 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000971680345 734942770 /nfs/dbraw/zinc/94/27/70/734942770.db2.gz ZOFNXNQKOWBSJF-AEFFLSMTSA-N 1 3 346.475 0.758 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000971680345 734942773 /nfs/dbraw/zinc/94/27/73/734942773.db2.gz ZOFNXNQKOWBSJF-AEFFLSMTSA-N 1 3 346.475 0.758 20 0 ECADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H]2CCc3ncnn32)C1)C1CCC1 ZINC000971688650 734949145 /nfs/dbraw/zinc/94/91/45/734949145.db2.gz ZLSFGJSOZNABLV-CVEARBPZSA-N 1 3 346.479 0.782 20 0 ECADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H]2CCc3ncnn32)C1)C1CCC1 ZINC000971688650 734949147 /nfs/dbraw/zinc/94/91/47/734949147.db2.gz ZLSFGJSOZNABLV-CVEARBPZSA-N 1 3 346.479 0.782 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC000972236335 735824726 /nfs/dbraw/zinc/82/47/26/735824726.db2.gz BJCSHYGFMNTAJT-BZUAXINKSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC000972236335 735824730 /nfs/dbraw/zinc/82/47/30/735824730.db2.gz BJCSHYGFMNTAJT-BZUAXINKSA-N 1 3 348.491 0.482 20 0 ECADHO C[NH+](C)CCC(=O)NCC1CC(NCC(=O)Nc2nccs2)C1 ZINC001100636786 736890278 /nfs/dbraw/zinc/89/02/78/736890278.db2.gz KMRDYPIXERRHDQ-UHFFFAOYSA-N 1 3 339.465 0.518 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCN2CCCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703189 737213358 /nfs/dbraw/zinc/21/33/58/737213358.db2.gz CJXDDPRZAYNIEW-INIZCTEOSA-N 1 3 348.491 0.533 20 0 ECADHO CN(CCCN(C)C(=O)CN1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001067465937 737414036 /nfs/dbraw/zinc/41/40/36/737414036.db2.gz WXBHDMYXKBQMRA-MRXNPFEDSA-N 1 3 338.496 0.731 20 0 ECADHO CN(CCCN(C)C(=O)CN1CCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001067465937 737414038 /nfs/dbraw/zinc/41/40/38/737414038.db2.gz WXBHDMYXKBQMRA-MRXNPFEDSA-N 1 3 338.496 0.731 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001023890239 737465025 /nfs/dbraw/zinc/46/50/25/737465025.db2.gz WHNBRLXJPSPELI-ZBFHGGJFSA-N 1 3 347.463 0.908 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000972735817 737571257 /nfs/dbraw/zinc/57/12/57/737571257.db2.gz QLWITTLPCQUOON-INIZCTEOSA-N 1 3 346.479 0.523 20 0 ECADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001024236346 737843429 /nfs/dbraw/zinc/84/34/29/737843429.db2.gz JWVQNPGJDQSWCO-LSDHHAIUSA-N 1 3 334.468 0.783 20 0 ECADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001024236346 737843433 /nfs/dbraw/zinc/84/34/33/737843433.db2.gz JWVQNPGJDQSWCO-LSDHHAIUSA-N 1 3 334.468 0.783 20 0 ECADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCc3ccnn3C)C2)C1 ZINC001100678617 738015928 /nfs/dbraw/zinc/01/59/28/738015928.db2.gz QTCXFRKPPMGLBR-FHERZECASA-N 1 3 333.480 0.789 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CCCCN2CCCO)cn1 ZINC001024701613 738231350 /nfs/dbraw/zinc/23/13/50/738231350.db2.gz GYBUIOMRVBGXGT-INIZCTEOSA-N 1 3 337.468 0.411 20 0 ECADHO Cn1nccc1CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024800402 738306015 /nfs/dbraw/zinc/30/60/15/738306015.db2.gz DUXILXZLWZCSGU-RDJZCZTQSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024800402 738306021 /nfs/dbraw/zinc/30/60/21/738306021.db2.gz DUXILXZLWZCSGU-RDJZCZTQSA-N 1 3 333.480 0.885 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001070007888 790310115 /nfs/dbraw/zinc/31/01/15/790310115.db2.gz FMMVCSVDTSMWIO-LLLHUVSDSA-N 1 3 346.479 0.760 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001070007888 790310121 /nfs/dbraw/zinc/31/01/21/790310121.db2.gz FMMVCSVDTSMWIO-LLLHUVSDSA-N 1 3 346.479 0.760 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001026044552 740329975 /nfs/dbraw/zinc/32/99/75/740329975.db2.gz PZRBIULZENAOHP-ZNLIYNOOSA-N 1 3 343.471 0.923 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001026044552 740329980 /nfs/dbraw/zinc/32/99/80/740329980.db2.gz PZRBIULZENAOHP-ZNLIYNOOSA-N 1 3 343.471 0.923 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001026045528 740332805 /nfs/dbraw/zinc/33/28/05/740332805.db2.gz FAZQRBAMICAHBH-AFHWFKKNSA-N 1 3 334.489 0.930 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001026045528 740332809 /nfs/dbraw/zinc/33/28/09/740332809.db2.gz FAZQRBAMICAHBH-AFHWFKKNSA-N 1 3 334.489 0.930 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026088650 740362979 /nfs/dbraw/zinc/36/29/79/740362979.db2.gz INXMOTKRWGXOBA-JJTUDDRGSA-N 1 3 348.491 0.574 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026088650 740362982 /nfs/dbraw/zinc/36/29/82/740362982.db2.gz INXMOTKRWGXOBA-JJTUDDRGSA-N 1 3 348.491 0.574 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001020413687 751562771 /nfs/dbraw/zinc/56/27/71/751562771.db2.gz PZCQJBKQLMGWMI-ZNMIVQPWSA-N 1 3 347.463 0.708 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001020413687 751562775 /nfs/dbraw/zinc/56/27/75/751562775.db2.gz PZCQJBKQLMGWMI-ZNMIVQPWSA-N 1 3 347.463 0.708 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](CC)C(N)=O)C1 ZINC001104937553 740971961 /nfs/dbraw/zinc/97/19/61/740971961.db2.gz DZLVHXIMRRKYMC-RBSFLKMASA-N 1 3 326.485 0.666 20 0 ECADHO Cn1cc(CC[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)cn1 ZINC001026366518 741066951 /nfs/dbraw/zinc/06/69/51/741066951.db2.gz MFAIKMDYTDMSSA-USXIJHARSA-N 1 3 342.447 0.755 20 0 ECADHO Cn1ncnc1CN[C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001026399899 741231567 /nfs/dbraw/zinc/23/15/67/741231567.db2.gz AGCNPYKPKSCBKA-RRFJBIMHSA-N 1 3 344.463 0.238 20 0 ECADHO CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064210 741272988 /nfs/dbraw/zinc/27/29/88/741272988.db2.gz CPJYTRVIQBFIQU-HZPDHXFCSA-N 1 3 340.512 0.879 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000974327183 741326728 /nfs/dbraw/zinc/32/67/28/741326728.db2.gz ONAIAELXTOLIEI-MCIONIFRSA-N 1 3 333.436 0.366 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000974327183 741326730 /nfs/dbraw/zinc/32/67/30/741326730.db2.gz ONAIAELXTOLIEI-MCIONIFRSA-N 1 3 333.436 0.366 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]CCn2cncn2)CC1 ZINC001026560919 741556178 /nfs/dbraw/zinc/55/61/78/741556178.db2.gz JRDDRXNSDTVHFK-QQFBHYJXSA-N 1 3 334.468 0.779 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001026735036 741733468 /nfs/dbraw/zinc/73/34/68/741733468.db2.gz YESSUDVTQUOWPF-HIFRSBDPSA-N 1 3 333.436 0.518 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105327204 741812602 /nfs/dbraw/zinc/81/26/02/741812602.db2.gz WHJQTRUPNAFYOE-AWEZNQCLSA-N 1 3 346.479 0.893 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105327204 741812610 /nfs/dbraw/zinc/81/26/10/741812610.db2.gz WHJQTRUPNAFYOE-AWEZNQCLSA-N 1 3 346.479 0.893 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC001026887952 742044908 /nfs/dbraw/zinc/04/49/08/742044908.db2.gz YOFDYQKFNBIPNY-XJKSGUPXSA-N 1 3 347.463 0.764 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001027042697 742356872 /nfs/dbraw/zinc/35/68/72/742356872.db2.gz LUDRGWGVROHMAU-SJLPKXTDSA-N 1 3 348.491 0.910 20 0 ECADHO CCn1c(C)nnc1CNC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001027065097 742435484 /nfs/dbraw/zinc/43/54/84/742435484.db2.gz QYECJRGNXLWBFM-HOCLYGCPSA-N 1 3 348.495 0.886 20 0 ECADHO CCn1c(C)nnc1CNC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001027065097 742435485 /nfs/dbraw/zinc/43/54/85/742435485.db2.gz QYECJRGNXLWBFM-HOCLYGCPSA-N 1 3 348.495 0.886 20 0 ECADHO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC001027091835 742526248 /nfs/dbraw/zinc/52/62/48/742526248.db2.gz VQUKZLNWKDVHGL-CQSZACIVSA-N 1 3 329.404 0.289 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997005110 743118600 /nfs/dbraw/zinc/11/86/00/743118600.db2.gz CTLOAXMDDGXJLH-CZUORRHYSA-N 1 3 347.463 0.764 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997005110 743118606 /nfs/dbraw/zinc/11/86/06/743118606.db2.gz CTLOAXMDDGXJLH-CZUORRHYSA-N 1 3 347.463 0.764 20 0 ECADHO C[C@H]1CCCN(C(=O)C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000997041579 743162063 /nfs/dbraw/zinc/16/20/63/743162063.db2.gz LZDBDIFJZUBRBR-AWEZNQCLSA-N 1 3 347.463 0.791 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000997243583 743400409 /nfs/dbraw/zinc/40/04/09/743400409.db2.gz XWCKWKVCSPDRTH-HOCLYGCPSA-N 1 3 345.447 0.605 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000997243583 743400411 /nfs/dbraw/zinc/40/04/11/743400411.db2.gz XWCKWKVCSPDRTH-HOCLYGCPSA-N 1 3 345.447 0.605 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000997243585 743400941 /nfs/dbraw/zinc/40/09/41/743400941.db2.gz XWCKWKVCSPDRTH-ZBFHGGJFSA-N 1 3 345.447 0.605 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000997243585 743400946 /nfs/dbraw/zinc/40/09/46/743400946.db2.gz XWCKWKVCSPDRTH-ZBFHGGJFSA-N 1 3 345.447 0.605 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000997366859 743538495 /nfs/dbraw/zinc/53/84/95/743538495.db2.gz OBJNEKLXUNRGAV-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001020587356 751848036 /nfs/dbraw/zinc/84/80/36/751848036.db2.gz BTVSCKNPLRFEOR-HPTBWKMGSA-N 1 3 342.459 0.700 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC000997611475 743708260 /nfs/dbraw/zinc/70/82/60/743708260.db2.gz FUZLDQISWDQNAO-JKSUJKDBSA-N 1 3 346.479 0.688 20 0 ECADHO CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000997613508 743710202 /nfs/dbraw/zinc/71/02/02/743710202.db2.gz NZCYKPZZZUGPOI-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001020588666 751851128 /nfs/dbraw/zinc/85/11/28/751851128.db2.gz JAIIWXKCRCRGRG-BPLDGKMQSA-N 1 3 333.436 0.564 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001020588666 751851139 /nfs/dbraw/zinc/85/11/39/751851139.db2.gz JAIIWXKCRCRGRG-BPLDGKMQSA-N 1 3 333.436 0.564 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001027330737 743765393 /nfs/dbraw/zinc/76/53/93/743765393.db2.gz AWICMMGXMRMUGW-DLBZAZTESA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001027330737 743765396 /nfs/dbraw/zinc/76/53/96/743765396.db2.gz AWICMMGXMRMUGW-DLBZAZTESA-N 1 3 348.495 0.912 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001027334619 743771107 /nfs/dbraw/zinc/77/11/07/743771107.db2.gz RIWUIYYEZWQHAP-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC001027334619 743771111 /nfs/dbraw/zinc/77/11/11/743771111.db2.gz RIWUIYYEZWQHAP-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCN2CCCC2=O)C1 ZINC001027334909 743771918 /nfs/dbraw/zinc/77/19/18/743771918.db2.gz XTDSYKKGHWLGEK-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCN2CCCC2=O)C1 ZINC001027334909 743771921 /nfs/dbraw/zinc/77/19/21/743771921.db2.gz XTDSYKKGHWLGEK-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC000998040235 743944460 /nfs/dbraw/zinc/94/44/60/743944460.db2.gz NHFFVDPGFISVJL-HZPDHXFCSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081642 743966984 /nfs/dbraw/zinc/96/69/84/743966984.db2.gz KXXZEDVOTDBSEE-WMLDXEAASA-N 1 3 333.480 0.946 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081642 743966986 /nfs/dbraw/zinc/96/69/86/743966986.db2.gz KXXZEDVOTDBSEE-WMLDXEAASA-N 1 3 333.480 0.946 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+][C@H]3CCN(C)C3=O)CC2)C1 ZINC000998082471 743967644 /nfs/dbraw/zinc/96/76/44/743967644.db2.gz PRLBJQPDHDTOOH-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC000998173288 744028379 /nfs/dbraw/zinc/02/83/79/744028379.db2.gz KIHILHVBQURFCQ-NOLJZWGESA-N 1 3 336.480 0.384 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC000998173288 744028384 /nfs/dbraw/zinc/02/83/84/744028384.db2.gz KIHILHVBQURFCQ-NOLJZWGESA-N 1 3 336.480 0.384 20 0 ECADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211669258 744415909 /nfs/dbraw/zinc/41/59/09/744415909.db2.gz QCCBCBPRXFAWAB-HYVNUMGLSA-N 1 3 346.475 0.657 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)CC[N@@H+]1C ZINC001020633030 751919231 /nfs/dbraw/zinc/91/92/31/751919231.db2.gz FOHNZWAHMVJNHQ-OSRDXIQISA-N 1 3 333.436 0.398 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)CC[N@H+]1C ZINC001020633030 751919237 /nfs/dbraw/zinc/91/92/37/751919237.db2.gz FOHNZWAHMVJNHQ-OSRDXIQISA-N 1 3 333.436 0.398 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1)C1CC1 ZINC001027443750 744461667 /nfs/dbraw/zinc/46/16/67/744461667.db2.gz NKMALCKNNZICRF-CVEARBPZSA-N 1 3 334.468 0.541 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1)C1CC1 ZINC001027443750 744461670 /nfs/dbraw/zinc/46/16/70/744461670.db2.gz NKMALCKNNZICRF-CVEARBPZSA-N 1 3 334.468 0.541 20 0 ECADHO CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC(NCc2cnn(C)n2)C1 ZINC000999056917 744490699 /nfs/dbraw/zinc/49/06/99/744490699.db2.gz JKPOMOYJCSCJMB-UHFFFAOYSA-N 1 3 339.403 0.856 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC000999310362 744616918 /nfs/dbraw/zinc/61/69/18/744616918.db2.gz XQVDWUMBPHILHI-HOCLYGCPSA-N 1 3 334.468 0.770 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC000999310362 744616922 /nfs/dbraw/zinc/61/69/22/744616922.db2.gz XQVDWUMBPHILHI-HOCLYGCPSA-N 1 3 334.468 0.770 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1)C1CCC1 ZINC000999363380 744654945 /nfs/dbraw/zinc/65/49/45/744654945.db2.gz HAUYMMRJMVOHNZ-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000999406636 744680264 /nfs/dbraw/zinc/68/02/64/744680264.db2.gz ORHSHQRGCWGDEG-WLYUNCDWSA-N 1 3 337.468 0.075 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCc3ccnn3C)C2)C1 ZINC000999409885 744682211 /nfs/dbraw/zinc/68/22/11/744682211.db2.gz ULTHYJVZRMJDPT-HPUBIQBYSA-N 1 3 333.480 0.883 20 0 ECADHO CN1CC[C@H](N[C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000999597927 744782390 /nfs/dbraw/zinc/78/23/90/744782390.db2.gz SBVMYIOSGPDKTO-GJZGRUSLSA-N 1 3 334.464 0.426 20 0 ECADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999710088 744859123 /nfs/dbraw/zinc/85/91/23/744859123.db2.gz RJSARQSUUVLBNJ-UHFFFAOYSA-N 1 3 346.479 0.781 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000999865086 744962686 /nfs/dbraw/zinc/96/26/86/744962686.db2.gz SOBMSJZIPOQJJK-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000999865086 744962692 /nfs/dbraw/zinc/96/26/92/744962692.db2.gz SOBMSJZIPOQJJK-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC000983716428 745093206 /nfs/dbraw/zinc/09/32/06/745093206.db2.gz OYXIFZOXRMHUGM-DZUCGIPZSA-N 1 3 347.463 0.268 20 0 ECADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC000983716428 745093218 /nfs/dbraw/zinc/09/32/18/745093218.db2.gz OYXIFZOXRMHUGM-DZUCGIPZSA-N 1 3 347.463 0.268 20 0 ECADHO Cn1nccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000983717190 745094166 /nfs/dbraw/zinc/09/41/66/745094166.db2.gz YWUIKHOHJOAOPR-OTRWWLKZSA-N 1 3 347.463 0.268 20 0 ECADHO C[C@H](NCc1nncn1C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001029147594 745167433 /nfs/dbraw/zinc/16/74/33/745167433.db2.gz XLHSPYOTVGMYQM-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1nncn1C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001029147594 745167440 /nfs/dbraw/zinc/16/74/40/745167440.db2.gz XLHSPYOTVGMYQM-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N(C)CCn3cncn3)C2)CC[N@@H+]1C ZINC001027545614 745292234 /nfs/dbraw/zinc/29/22/34/745292234.db2.gz DOXOCLXYLGEIRY-ULQDDVLXSA-N 1 3 348.495 0.931 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N(C)CCn3cncn3)C2)CC[N@H+]1C ZINC001027545614 745292240 /nfs/dbraw/zinc/29/22/40/745292240.db2.gz DOXOCLXYLGEIRY-ULQDDVLXSA-N 1 3 348.495 0.931 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001000197640 745334176 /nfs/dbraw/zinc/33/41/76/745334176.db2.gz JNARVKKTXKCXGQ-HNNXBMFYSA-N 1 3 334.468 0.591 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC001000215624 745353998 /nfs/dbraw/zinc/35/39/98/745353998.db2.gz AIPXJLQVJUGDSP-CVEARBPZSA-N 1 3 336.484 0.816 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)C1(N(C)C)CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000977771016 745475174 /nfs/dbraw/zinc/47/51/74/745475174.db2.gz JZGMJOPJZHDITJ-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)C1(N(C)C)CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977771016 745475176 /nfs/dbraw/zinc/47/51/76/745475176.db2.gz JZGMJOPJZHDITJ-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001029399134 746035828 /nfs/dbraw/zinc/03/58/28/746035828.db2.gz KAQZYQMRUOYERM-XFHVWQCUSA-N 1 3 331.460 0.935 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001029399134 746035833 /nfs/dbraw/zinc/03/58/33/746035833.db2.gz KAQZYQMRUOYERM-XFHVWQCUSA-N 1 3 331.460 0.935 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001059351404 746181700 /nfs/dbraw/zinc/18/17/00/746181700.db2.gz CIBDFBXWZWRCGM-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001059351404 746181701 /nfs/dbraw/zinc/18/17/01/746181701.db2.gz CIBDFBXWZWRCGM-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC2=CCN(CCCN3CCCC3=O)CC2)C1 ZINC001001446503 746384104 /nfs/dbraw/zinc/38/41/04/746384104.db2.gz PTWPYUQFJRFEOT-KRWDZBQOSA-N 1 3 348.491 0.699 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(CCCN3CCCC3=O)CC2)C1 ZINC001001446503 746384105 /nfs/dbraw/zinc/38/41/05/746384105.db2.gz PTWPYUQFJRFEOT-KRWDZBQOSA-N 1 3 348.491 0.699 20 0 ECADHO C[NH+](C)CCCC(=O)N1CC[C@H](n2cc(CNCC3CC3)nn2)C1 ZINC001098711974 746794985 /nfs/dbraw/zinc/79/49/85/746794985.db2.gz ZXXOTEAVBCWEHZ-INIZCTEOSA-N 1 3 334.468 0.893 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002051800 746929134 /nfs/dbraw/zinc/92/91/34/746929134.db2.gz DLZGSSMPQSMKSV-AWEZNQCLSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC001002247420 747123686 /nfs/dbraw/zinc/12/36/86/747123686.db2.gz KQSCMVZORRXYJF-CZUORRHYSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC001002247420 747123692 /nfs/dbraw/zinc/12/36/92/747123692.db2.gz KQSCMVZORRXYJF-CZUORRHYSA-N 1 3 336.480 0.386 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000979316646 747628697 /nfs/dbraw/zinc/62/86/97/747628697.db2.gz UFLOWOCPVVBQSY-SPWCGHHHSA-N 1 3 347.463 0.469 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000979316646 747628702 /nfs/dbraw/zinc/62/87/02/747628702.db2.gz UFLOWOCPVVBQSY-SPWCGHHHSA-N 1 3 347.463 0.469 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCc2ccnn2C)CC1 ZINC000985332127 747716185 /nfs/dbraw/zinc/71/61/85/747716185.db2.gz KRFCYMABLNHBFX-QGZVFWFLSA-N 1 3 333.480 0.980 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCc2ccnn2C)CC1 ZINC000985332127 747716188 /nfs/dbraw/zinc/71/61/88/747716188.db2.gz KRFCYMABLNHBFX-QGZVFWFLSA-N 1 3 333.480 0.980 20 0 ECADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000985480919 748229001 /nfs/dbraw/zinc/22/90/01/748229001.db2.gz HPCAPODVFDEZEP-CABCVRRESA-N 1 3 326.485 0.759 20 0 ECADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000985480919 748229008 /nfs/dbraw/zinc/22/90/08/748229008.db2.gz HPCAPODVFDEZEP-CABCVRRESA-N 1 3 326.485 0.759 20 0 ECADHO CC1CCN(CC(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001003331444 748433738 /nfs/dbraw/zinc/43/37/38/748433738.db2.gz PFVGRVSBHDBMDQ-UHFFFAOYSA-N 1 3 348.491 0.389 20 0 ECADHO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2occc2CN(C)C)CC1 ZINC001003516968 748635143 /nfs/dbraw/zinc/63/51/43/748635143.db2.gz DHDGYTOUGQVMIF-CQSZACIVSA-N 1 3 336.436 0.799 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985647304 748792715 /nfs/dbraw/zinc/79/27/15/748792715.db2.gz OIVGYSBCJFOTKX-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985647304 748792717 /nfs/dbraw/zinc/79/27/17/748792717.db2.gz OIVGYSBCJFOTKX-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC001003786973 748894429 /nfs/dbraw/zinc/89/44/29/748894429.db2.gz KBLYLWDXRSRGOT-CWRNSKLLSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC001003786973 748894435 /nfs/dbraw/zinc/89/44/35/748894435.db2.gz KBLYLWDXRSRGOT-CWRNSKLLSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)c1ccncc1C(=O)NC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001003982808 749105989 /nfs/dbraw/zinc/10/59/89/749105989.db2.gz AVDDBAZNKOKDMT-INIZCTEOSA-N 1 3 345.447 0.620 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985803077 749137149 /nfs/dbraw/zinc/13/71/49/749137149.db2.gz APASXCGRGDAGEU-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985803077 749137154 /nfs/dbraw/zinc/13/71/54/749137154.db2.gz APASXCGRGDAGEU-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2CCc2ccnn2C)CC[N@@H+]1C ZINC001027894213 749168413 /nfs/dbraw/zinc/16/84/13/749168413.db2.gz KSOAYDHOKNQZHV-DJIMGWMZSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2CCc2ccnn2C)CC[N@H+]1C ZINC001027894213 749168417 /nfs/dbraw/zinc/16/84/17/749168417.db2.gz KSOAYDHOKNQZHV-DJIMGWMZSA-N 1 3 333.480 0.883 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059689866 749475413 /nfs/dbraw/zinc/47/54/13/749475413.db2.gz YAVIIFBJFWQNOH-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000986126650 749588038 /nfs/dbraw/zinc/58/80/38/749588038.db2.gz HAGRTEFFFDHLQD-ILXRZTDVSA-N 1 3 345.447 0.211 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000986126650 749588042 /nfs/dbraw/zinc/58/80/42/749588042.db2.gz HAGRTEFFFDHLQD-ILXRZTDVSA-N 1 3 345.447 0.211 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001112531594 749826786 /nfs/dbraw/zinc/82/67/86/749826786.db2.gz HBDCZBJROYHGKO-OVWQWFNUSA-N 1 3 341.496 0.552 20 0 ECADHO CN(CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)[C@@H]1CCNC1=O ZINC001029966084 750121760 /nfs/dbraw/zinc/12/17/60/750121760.db2.gz SETXNOCARUHALW-DLBZAZTESA-N 1 3 348.491 0.387 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001029973724 750168254 /nfs/dbraw/zinc/16/82/54/750168254.db2.gz LWOJDBOCMKUYHT-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001029973724 750168255 /nfs/dbraw/zinc/16/82/55/750168255.db2.gz LWOJDBOCMKUYHT-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255434 750632226 /nfs/dbraw/zinc/63/22/26/750632226.db2.gz PHLLTPATWMKANM-HOTGVXAUSA-N 1 3 334.468 0.589 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987359442 750754203 /nfs/dbraw/zinc/75/42/03/750754203.db2.gz OMHXSKKUPQUUKA-GJZGRUSLSA-N 1 3 346.479 0.781 20 0 ECADHO COc1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)c(C)n1 ZINC000987520610 750938238 /nfs/dbraw/zinc/93/82/38/750938238.db2.gz SERAINZXMHXASD-GDBMZVCRSA-N 1 3 347.463 0.968 20 0 ECADHO COc1ncc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)c(C)n1 ZINC000987520613 750938410 /nfs/dbraw/zinc/93/84/10/750938410.db2.gz SERAINZXMHXASD-ZBFHGGJFSA-N 1 3 347.463 0.968 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020927698 752348559 /nfs/dbraw/zinc/34/85/59/752348559.db2.gz OQPSZVMOVDWEPT-AJNGGQMLSA-N 1 3 334.468 0.672 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C(N)=O)cc2)C1 ZINC001028316166 752364576 /nfs/dbraw/zinc/36/45/76/752364576.db2.gz KYCVIWBDAHVIAE-IRXDYDNUSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C(N)=O)cc2)C1 ZINC001028316166 752364585 /nfs/dbraw/zinc/36/45/85/752364585.db2.gz KYCVIWBDAHVIAE-IRXDYDNUSA-N 1 3 344.459 0.818 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000938040778 752740963 /nfs/dbraw/zinc/74/09/63/752740963.db2.gz NGFAOYRXPBTEHA-IJEWVQPXSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000938040778 752740965 /nfs/dbraw/zinc/74/09/65/752740965.db2.gz NGFAOYRXPBTEHA-IJEWVQPXSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000989060877 753198457 /nfs/dbraw/zinc/19/84/57/753198457.db2.gz ITYZGUSEICSCTQ-OAGGEKHMSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000982778283 753533115 /nfs/dbraw/zinc/53/31/15/753533115.db2.gz JTSAHXFGCNLTHS-BZUAXINKSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000982778283 753533119 /nfs/dbraw/zinc/53/31/19/753533119.db2.gz JTSAHXFGCNLTHS-BZUAXINKSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC001008352243 753646616 /nfs/dbraw/zinc/64/66/16/753646616.db2.gz MCOFGSXVWBVKEL-HIFRSBDPSA-N 1 3 347.463 0.647 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC001008352243 753646621 /nfs/dbraw/zinc/64/66/21/753646621.db2.gz MCOFGSXVWBVKEL-HIFRSBDPSA-N 1 3 347.463 0.647 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105372598 753672330 /nfs/dbraw/zinc/67/23/30/753672330.db2.gz PFPVPMDFJGEPCW-AWEZNQCLSA-N 1 3 332.452 0.503 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105372598 753672333 /nfs/dbraw/zinc/67/23/33/753672333.db2.gz PFPVPMDFJGEPCW-AWEZNQCLSA-N 1 3 332.452 0.503 20 0 ECADHO O=C(NC[C@@H]1CCN([C@H]2CCCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001028624560 753964969 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ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)n1 ZINC000989798720 754459159 /nfs/dbraw/zinc/45/91/59/754459159.db2.gz DTBSSPGKVGKOSG-BBRMVZONSA-N 1 3 334.468 0.570 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001168335497 754629096 /nfs/dbraw/zinc/62/90/96/754629096.db2.gz KWXJXRJYENEXJV-GJZGRUSLSA-N 1 3 336.480 0.625 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N(C)C ZINC001009269440 754726088 /nfs/dbraw/zinc/72/60/88/754726088.db2.gz RZSWOPCXKLJFKX-JONQDZQNSA-N 1 3 348.491 0.243 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000990243734 754892588 /nfs/dbraw/zinc/89/25/88/754892588.db2.gz JZXHYCBEJBBSAY-QGZVFWFLSA-N 1 3 344.459 0.960 20 0 ECADHO CNC(=O)C[NH2+]C1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001101024682 755274455 /nfs/dbraw/zinc/27/44/55/755274455.db2.gz CDOWORRQUWBARZ-UHFFFAOYSA-N 1 3 332.448 0.592 20 0 ECADHO CNC(=O)C[NH2+]C1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001101027912 755367602 /nfs/dbraw/zinc/36/76/02/755367602.db2.gz RRFDWGMBQFIZJH-UHFFFAOYSA-N 1 3 332.448 0.592 20 0 ECADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@@H](O)C1 ZINC001083522998 755890712 /nfs/dbraw/zinc/89/07/12/755890712.db2.gz HLLFNFHGMVNAMD-ZACQAIPSSA-N 1 3 339.480 0.447 20 0 ECADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@@H](O)C1 ZINC001083522998 755890720 /nfs/dbraw/zinc/89/07/20/755890720.db2.gz HLLFNFHGMVNAMD-ZACQAIPSSA-N 1 3 339.480 0.447 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522998 755890729 /nfs/dbraw/zinc/89/07/29/755890729.db2.gz HLLFNFHGMVNAMD-ZACQAIPSSA-N 1 3 339.480 0.447 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522998 755890732 /nfs/dbraw/zinc/89/07/32/755890732.db2.gz HLLFNFHGMVNAMD-ZACQAIPSSA-N 1 3 339.480 0.447 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(CCn2cncn2)CC3)CC[N@@H+]1C ZINC000990792663 755914690 /nfs/dbraw/zinc/91/46/90/755914690.db2.gz UUBNOMLAJPQUEQ-YFHUEUNASA-N 1 3 346.479 0.732 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(CCn2cncn2)CC3)CC[N@H+]1C ZINC000990792663 755914694 /nfs/dbraw/zinc/91/46/94/755914694.db2.gz UUBNOMLAJPQUEQ-YFHUEUNASA-N 1 3 346.479 0.732 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001076658213 756798162 /nfs/dbraw/zinc/79/81/62/756798162.db2.gz MELDOUJFQNMCFX-GOEBONIOSA-N 1 3 338.496 0.679 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001076748244 756958944 /nfs/dbraw/zinc/95/89/44/756958944.db2.gz OCLFNPNPAMHMIH-YJNKXOJESA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001076748244 756958947 /nfs/dbraw/zinc/95/89/47/756958947.db2.gz OCLFNPNPAMHMIH-YJNKXOJESA-N 1 3 326.485 0.678 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001048823607 757111843 /nfs/dbraw/zinc/11/18/43/757111843.db2.gz GETVAVRLUHQFEQ-LLLHUVSDSA-N 1 3 348.491 0.195 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CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@H]3C2)C1=O ZINC001048862950 757216575 /nfs/dbraw/zinc/21/65/75/757216575.db2.gz BQRUBSQDQNQXKG-YYIAUSFCSA-N 1 3 348.491 0.338 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864271 757222097 /nfs/dbraw/zinc/22/20/97/757222097.db2.gz VDTGEFIOBGXXKJ-VVLHAWIVSA-N 1 3 348.491 0.338 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864271 757222104 /nfs/dbraw/zinc/22/21/04/757222104.db2.gz VDTGEFIOBGXXKJ-VVLHAWIVSA-N 1 3 348.491 0.338 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1)C1CCC1 ZINC001048864964 757223025 /nfs/dbraw/zinc/22/30/25/757223025.db2.gz SEQQUVFFRCHJSI-GASCZTMLSA-N 1 3 332.452 0.153 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1)C1CCC1 ZINC001048864964 757223036 /nfs/dbraw/zinc/22/30/36/757223036.db2.gz SEQQUVFFRCHJSI-GASCZTMLSA-N 1 3 332.452 0.153 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996310087 757336142 /nfs/dbraw/zinc/33/61/42/757336142.db2.gz KAZGIERUKYQWHP-HOTGVXAUSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282569 757403777 /nfs/dbraw/zinc/40/37/77/757403777.db2.gz XRHWEBGBCRDNOZ-GOEBONIOSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282569 757403780 /nfs/dbraw/zinc/40/37/80/757403780.db2.gz XRHWEBGBCRDNOZ-GOEBONIOSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1)N(C)C ZINC001011321661 757512292 /nfs/dbraw/zinc/51/22/92/757512292.db2.gz VIOHRZBBNKSLLK-HUUCEWRRSA-N 1 3 326.485 0.584 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000996430119 757658871 /nfs/dbraw/zinc/65/88/71/757658871.db2.gz NKAHUHJCRXWDRQ-IUODEOHRSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001076950971 757712800 /nfs/dbraw/zinc/71/28/00/757712800.db2.gz OZWLZOUOXKFWGZ-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001076950971 757712805 /nfs/dbraw/zinc/71/28/05/757712805.db2.gz OZWLZOUOXKFWGZ-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC001049059169 757817925 /nfs/dbraw/zinc/81/79/25/757817925.db2.gz BSWZLJSYOLJJNQ-NXOAAHMSSA-N 1 3 348.491 0.197 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC001049059169 757817933 /nfs/dbraw/zinc/81/79/33/757817933.db2.gz BSWZLJSYOLJJNQ-NXOAAHMSSA-N 1 3 348.491 0.197 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001049059919 757826105 /nfs/dbraw/zinc/82/61/05/757826105.db2.gz JUVWQMCQERRWAW-LLLHUVSDSA-N 1 3 331.464 0.508 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001049059919 757826118 /nfs/dbraw/zinc/82/61/18/757826118.db2.gz JUVWQMCQERRWAW-LLLHUVSDSA-N 1 3 331.464 0.508 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CN4CCCC4)[C@@H]3C2)C1 ZINC001021708805 757838058 /nfs/dbraw/zinc/83/80/58/757838058.db2.gz JIBKHFPXYMHXOC-YESZJQIVSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CN4CCCC4)[C@@H]3C2)C1 ZINC001021708805 757838071 /nfs/dbraw/zinc/83/80/71/757838071.db2.gz JIBKHFPXYMHXOC-YESZJQIVSA-N 1 3 348.491 0.483 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@H]3C[C@]34CCOC4)C[C@@H]2C1 ZINC001049083291 757914801 /nfs/dbraw/zinc/91/48/01/757914801.db2.gz XIWUPMYFYKMYQA-FSZRXZPDSA-N 1 3 330.432 0.769 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@H]3C[C@]34CCOC4)C[C@@H]2C1 ZINC001049083291 757914807 /nfs/dbraw/zinc/91/48/07/757914807.db2.gz XIWUPMYFYKMYQA-FSZRXZPDSA-N 1 3 330.432 0.769 20 0 ECADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)CCC1 ZINC000996547285 757986719 /nfs/dbraw/zinc/98/67/19/757986719.db2.gz YHDXREWOZDEIRC-FZKCQIBNSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)CCC1 ZINC000996547285 757986725 /nfs/dbraw/zinc/98/67/25/757986725.db2.gz YHDXREWOZDEIRC-FZKCQIBNSA-N 1 3 348.491 0.671 20 0 ECADHO CN(CC(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001051653844 762599150 /nfs/dbraw/zinc/59/91/50/762599150.db2.gz ALFYYMRBUKGNPV-MRXNPFEDSA-N 1 3 335.452 0.221 20 0 ECADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]C[C@H]2CCCOC2)C1)C1CCC1 ZINC001051654241 762600958 /nfs/dbraw/zinc/60/09/58/762600958.db2.gz JQWKMFRNUPMPFE-WBVHZDCISA-N 1 3 339.480 0.714 20 0 ECADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022089399 758261063 /nfs/dbraw/zinc/26/10/63/758261063.db2.gz HLETVZNNVNKMMW-HZSPNIEDSA-N 1 3 335.477 0.925 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001022096294 758270212 /nfs/dbraw/zinc/27/02/12/758270212.db2.gz AQKIKUPWHLWWJW-GASCZTMLSA-N 1 3 346.435 0.792 20 0 ECADHO Cc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CN4CCC[C@H]4CO3)C2)c1 ZINC001022119641 758301390 /nfs/dbraw/zinc/30/13/90/758301390.db2.gz GBVJTSOYHDGYNI-XWTMOSNGSA-N 1 3 344.459 0.990 20 0 ECADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)ncn1 ZINC001022120983 758306208 /nfs/dbraw/zinc/30/62/08/758306208.db2.gz VCLMTLWKJTXRII-HDEZJCGLSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)ncn1 ZINC001022120983 758306218 /nfs/dbraw/zinc/30/62/18/758306218.db2.gz VCLMTLWKJTXRII-HDEZJCGLSA-N 1 3 345.447 0.385 20 0 ECADHO Cn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CN4CCC[C@H]4CO3)C2)cn1 ZINC001022121174 758307365 /nfs/dbraw/zinc/30/73/65/758307365.db2.gz ZELRKGZUGNZYHZ-YVSFHVDLSA-N 1 3 347.463 0.063 20 0 ECADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)C1=O ZINC000996674092 758421553 /nfs/dbraw/zinc/42/15/53/758421553.db2.gz ZHICFAZQYFGMSA-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1)C1CC1 ZINC000996677540 758448203 /nfs/dbraw/zinc/44/82/03/758448203.db2.gz KUQHSPJVHRSFOV-KRWDZBQOSA-N 1 3 333.480 0.883 20 0 ECADHO CC[C@H](C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001060320111 762636200 /nfs/dbraw/zinc/63/62/00/762636200.db2.gz LVUKFMWJECUCSN-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)CN2CCC[C@@H]2C)CC1)[NH+](C)C ZINC001011829667 758686601 /nfs/dbraw/zinc/68/66/01/758686601.db2.gz WGONLJHPVPWPCI-DOTOQJQBSA-N 1 3 338.496 0.728 20 0 ECADHO COc1coc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1=O ZINC001022711961 759026232 /nfs/dbraw/zinc/02/62/32/759026232.db2.gz GZMOACNRIRBQRV-MELADBBJSA-N 1 3 349.431 0.870 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)C1 ZINC001022713226 759028393 /nfs/dbraw/zinc/02/83/93/759028393.db2.gz IGVMDLCWTXNZJU-LJIGWXMPSA-N 1 3 348.491 0.718 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)n1 ZINC001022716354 759031837 /nfs/dbraw/zinc/03/18/37/759031837.db2.gz VNIUEVBUZCWNRR-VBNZEHGJSA-N 1 3 334.468 0.474 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001022838690 759159160 /nfs/dbraw/zinc/15/91/60/759159160.db2.gz WPOBKTGVLAYDGE-FQLMCAECSA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001022838690 759159165 /nfs/dbraw/zinc/15/91/65/759159165.db2.gz WPOBKTGVLAYDGE-FQLMCAECSA-N 1 3 332.452 0.569 20 0 ECADHO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)C12CCCN1CCC2 ZINC001083602137 759244298 /nfs/dbraw/zinc/24/42/98/759244298.db2.gz GHXLCSBZTYHXFK-CVEARBPZSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)C12CCCN1CCC2 ZINC001083602137 759244305 /nfs/dbraw/zinc/24/43/05/759244305.db2.gz GHXLCSBZTYHXFK-CVEARBPZSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602137 759244309 /nfs/dbraw/zinc/24/43/09/759244309.db2.gz GHXLCSBZTYHXFK-CVEARBPZSA-N 1 3 337.464 0.203 20 0 ECADHO C[C@@H](NCc1ncnn1C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047974979 759760043 /nfs/dbraw/zinc/76/00/43/759760043.db2.gz HCSOYSSGMWVZGQ-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1ncnn1C)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047974979 759760050 /nfs/dbraw/zinc/76/00/50/759760050.db2.gz HCSOYSSGMWVZGQ-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001050222832 759970909 /nfs/dbraw/zinc/97/09/09/759970909.db2.gz NBMRAUBLUHYBAJ-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCC(C)(C)CN1CCOCCO ZINC001099198546 767910256 /nfs/dbraw/zinc/91/02/56/767910256.db2.gz BXSROHYKLPWVCI-INIZCTEOSA-N 1 3 343.512 0.944 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001048281721 760213370 /nfs/dbraw/zinc/21/33/70/760213370.db2.gz URNGWYTZUATJDQ-HUUCEWRRSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@@H](NC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1nnnn1C ZINC001050390068 760219479 /nfs/dbraw/zinc/21/94/79/760219479.db2.gz LGFOQJSIBDFJNC-APIJFGDWSA-N 1 3 349.483 0.487 20 0 ECADHO C[C@@H](NC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1nnnn1C ZINC001050390068 760219490 /nfs/dbraw/zinc/21/94/90/760219490.db2.gz LGFOQJSIBDFJNC-APIJFGDWSA-N 1 3 349.483 0.487 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001050661764 760637268 /nfs/dbraw/zinc/63/72/68/760637268.db2.gz BNDNGYRGWBQWBC-INIZCTEOSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCn2cncn2)CC3)C1 ZINC001050662640 760638203 /nfs/dbraw/zinc/63/82/03/760638203.db2.gz KVPXOEJTRNHIPB-MRXNPFEDSA-N 1 3 346.479 0.544 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001127066356 760688713 /nfs/dbraw/zinc/68/87/13/760688713.db2.gz MEQVORILAKPLGZ-INIZCTEOSA-N 1 3 332.448 0.864 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001127066356 760688722 /nfs/dbraw/zinc/68/87/22/760688722.db2.gz MEQVORILAKPLGZ-INIZCTEOSA-N 1 3 332.448 0.864 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001127067492 760708948 /nfs/dbraw/zinc/70/89/48/760708948.db2.gz YEQSIRZZKSLXBS-HNNXBMFYSA-N 1 3 345.509 0.390 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001048590424 760766329 /nfs/dbraw/zinc/76/63/29/760766329.db2.gz OCKWCROZHFYDMQ-QKPAOTATSA-N 1 3 336.480 0.705 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001048590424 760766332 /nfs/dbraw/zinc/76/63/32/760766332.db2.gz OCKWCROZHFYDMQ-QKPAOTATSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753301 760779010 /nfs/dbraw/zinc/77/90/10/760779010.db2.gz HRPCLDWHUZTIBY-CABCVRRESA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753301 760779018 /nfs/dbraw/zinc/77/90/18/760779018.db2.gz HRPCLDWHUZTIBY-CABCVRRESA-N 1 3 348.491 0.530 20 0 ECADHO CN(CC(=O)N1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C(C)(C)C1)C1CCC1 ZINC000995921788 760780732 /nfs/dbraw/zinc/78/07/32/760780732.db2.gz YIYGOVBIPJOPFK-LSDHHAIUSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1)[NH+]1CCCCCC1 ZINC000991411943 760783753 /nfs/dbraw/zinc/78/37/53/760783753.db2.gz CEIITWULDYIOGB-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC001017464167 768011919 /nfs/dbraw/zinc/01/19/19/768011919.db2.gz DMIXYZZYPVGECJ-IAGOWNOFSA-N 1 3 348.491 0.553 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC001017464167 768011927 /nfs/dbraw/zinc/01/19/27/768011927.db2.gz DMIXYZZYPVGECJ-IAGOWNOFSA-N 1 3 348.491 0.553 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CCC1 ZINC000991531033 761412541 /nfs/dbraw/zinc/41/25/41/761412541.db2.gz GDYDOZWZCXLLTO-GDBMZVCRSA-N 1 3 348.491 0.672 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)CCC1 ZINC000991531033 761412547 /nfs/dbraw/zinc/41/25/47/761412547.db2.gz GDYDOZWZCXLLTO-GDBMZVCRSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCc2cccc3c2CCN(CCCO)C3)C1 ZINC001051306714 761858324 /nfs/dbraw/zinc/85/83/24/761858324.db2.gz MVAMDCAQVQBGGG-QGZVFWFLSA-N 1 3 331.460 0.995 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCc2cccc3c2CCN(CCCO)C3)C1 ZINC001051306714 761858335 /nfs/dbraw/zinc/85/83/35/761858335.db2.gz MVAMDCAQVQBGGG-QGZVFWFLSA-N 1 3 331.460 0.995 20 0 ECADHO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CCO2)cn1 ZINC001051824685 763051779 /nfs/dbraw/zinc/05/17/79/763051779.db2.gz MLTLJFCABUHORP-INIZCTEOSA-N 1 3 349.479 0.469 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051901924 763276977 /nfs/dbraw/zinc/27/69/77/763276977.db2.gz RQVBIPOKMBYMJH-GDBMZVCRSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051901924 763276981 /nfs/dbraw/zinc/27/69/81/763276981.db2.gz RQVBIPOKMBYMJH-GDBMZVCRSA-N 1 3 335.452 0.079 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000940510443 763361321 /nfs/dbraw/zinc/36/13/21/763361321.db2.gz SKLDIWBWKNAYHM-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000940510443 763361329 /nfs/dbraw/zinc/36/13/29/763361329.db2.gz SKLDIWBWKNAYHM-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO O=C(NC[C@H]1CN(CCCO)CCC1(F)F)[C@@H]1C[NH+]2CCC1CC2 ZINC001046938784 763422975 /nfs/dbraw/zinc/42/29/75/763422975.db2.gz GEFWFPDDLQWNRE-LSDHHAIUSA-N 1 3 345.434 0.784 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312729 768138543 /nfs/dbraw/zinc/13/85/43/768138543.db2.gz MTAJBRUOBHUKTM-RBSFLKMASA-N 1 3 326.485 0.537 20 0 ECADHO CC(C)(C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC001127322160 768149645 /nfs/dbraw/zinc/14/96/45/768149645.db2.gz LVHJVPYAIIQQTP-CQSZACIVSA-N 1 3 345.509 0.391 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](C)C1 ZINC001106340152 768164869 /nfs/dbraw/zinc/16/48/69/768164869.db2.gz NOBFFOAJHPYORV-KFWWJZLASA-N 1 3 338.496 0.679 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)n1 ZINC001054734721 768207839 /nfs/dbraw/zinc/20/78/39/768207839.db2.gz CWKNPOKDJQDPNO-DYVFJYSZSA-N 1 3 348.495 0.816 20 0 ECADHO CCCNCc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098768196 764646394 /nfs/dbraw/zinc/64/63/94/764646394.db2.gz RYTSRGAJPVLOBZ-OAHLLOKOSA-N 1 3 332.452 0.647 20 0 ECADHO COC[C@@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553528 764676235 /nfs/dbraw/zinc/67/62/35/764676235.db2.gz KBUCTXLBYLGIOB-KBMXLJTQSA-N 1 3 327.469 0.257 20 0 ECADHO CO[C@@H](C)CN1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553776 764676484 /nfs/dbraw/zinc/67/64/84/764676484.db2.gz XDFJZLNMMGRRNT-BPUTZDHNSA-N 1 3 327.469 0.257 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001052662066 764955421 /nfs/dbraw/zinc/95/54/21/764955421.db2.gz QNJIMWSLNTUDJC-LSDHHAIUSA-N 1 3 326.485 0.491 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001052854352 765234467 /nfs/dbraw/zinc/23/44/67/765234467.db2.gz VMPKMFHTOJWCOC-LSDHHAIUSA-N 1 3 340.512 0.879 20 0 ECADHO COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453577 768323399 /nfs/dbraw/zinc/32/33/99/768323399.db2.gz PEEYFQQKYDWJNM-MYPHYYIGSA-N 1 3 337.464 0.180 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000992240735 766023923 /nfs/dbraw/zinc/02/39/23/766023923.db2.gz NXPUXIWHXJSRNQ-QQFBHYJXSA-N 1 3 348.491 0.435 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001016330775 766129341 /nfs/dbraw/zinc/12/93/41/766129341.db2.gz RHWHFZGRNKRQDS-UYSNPLJNSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001031665962 766388728 /nfs/dbraw/zinc/38/87/28/766388728.db2.gz JTCJNHLHHVARQS-JKSUJKDBSA-N 1 3 346.479 0.686 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001031665962 766388739 /nfs/dbraw/zinc/38/87/39/766388739.db2.gz JTCJNHLHHVARQS-JKSUJKDBSA-N 1 3 346.479 0.686 20 0 ECADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001045825356 766410017 /nfs/dbraw/zinc/41/00/17/766410017.db2.gz XTRMWOARRUMFLF-PMPSAXMXSA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O)N1CCCC1 ZINC001045825356 766410023 /nfs/dbraw/zinc/41/00/23/766410023.db2.gz XTRMWOARRUMFLF-PMPSAXMXSA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O)N1CCCC1 ZINC001045825356 766410027 /nfs/dbraw/zinc/41/00/27/766410027.db2.gz XTRMWOARRUMFLF-PMPSAXMXSA-N 1 3 348.491 0.815 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016529625 766444722 /nfs/dbraw/zinc/44/47/22/766444722.db2.gz XFPQIPBZJJMSIC-HSBZDZAISA-N 1 3 333.436 0.318 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016529625 766444726 /nfs/dbraw/zinc/44/47/26/766444726.db2.gz XFPQIPBZJJMSIC-HSBZDZAISA-N 1 3 333.436 0.318 20 0 ECADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)N(CC)CC)CC1 ZINC001203454906 766554929 /nfs/dbraw/zinc/55/49/29/766554929.db2.gz ACVDAEXUVSLLNG-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)NC1CCCC1 ZINC001127257287 766768904 /nfs/dbraw/zinc/76/89/04/766768904.db2.gz XNKGPSQVBAYZTF-GOEBONIOSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)NC1CCCC1 ZINC001127257287 766768913 /nfs/dbraw/zinc/76/89/13/766768913.db2.gz XNKGPSQVBAYZTF-GOEBONIOSA-N 1 3 336.480 0.625 20 0 ECADHO COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046064350 766844248 /nfs/dbraw/zinc/84/42/48/766844248.db2.gz LLURHKCNRQVGLN-DLBZAZTESA-N 1 3 338.496 0.193 20 0 ECADHO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046064350 766844259 /nfs/dbraw/zinc/84/42/59/766844259.db2.gz LLURHKCNRQVGLN-DLBZAZTESA-N 1 3 338.496 0.193 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CC[N@H+](CCCF)C3)CC2)C1 ZINC001046064869 766846705 /nfs/dbraw/zinc/84/67/05/766846705.db2.gz XFHYJAWGSXKDNU-IAGOWNOFSA-N 1 3 340.487 0.906 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CC[N@@H+](CCCF)C3)CC2)C1 ZINC001046064869 766846716 /nfs/dbraw/zinc/84/67/16/766846716.db2.gz XFHYJAWGSXKDNU-IAGOWNOFSA-N 1 3 340.487 0.906 20 0 ECADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067374 766859166 /nfs/dbraw/zinc/85/91/66/766859166.db2.gz YIRGWAHJEHZMHE-GDBMZVCRSA-N 1 3 337.443 0.919 20 0 ECADHO C[C@@H](F)CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067374 766859175 /nfs/dbraw/zinc/85/91/75/766859175.db2.gz YIRGWAHJEHZMHE-GDBMZVCRSA-N 1 3 337.443 0.919 20 0 ECADHO CO[C@H](C)C[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082900 766922197 /nfs/dbraw/zinc/92/21/97/766922197.db2.gz XVVBSHXKSSXGBL-SJORKVTESA-N 1 3 338.496 0.336 20 0 ECADHO CO[C@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082900 766922199 /nfs/dbraw/zinc/92/21/99/766922199.db2.gz XVVBSHXKSSXGBL-SJORKVTESA-N 1 3 338.496 0.336 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000938819656 767120312 /nfs/dbraw/zinc/12/03/12/767120312.db2.gz UYGFGYLWCHMIRQ-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@]2(C)CCN(C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001046596574 767350047 /nfs/dbraw/zinc/35/00/47/767350047.db2.gz ZTUAQRJDGIOABM-MAUKXSAKSA-N 1 3 346.479 0.688 20 0 ECADHO Cn1cc(CN2CCC3(C[C@H]3NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001016970017 767413780 /nfs/dbraw/zinc/41/37/80/767413780.db2.gz QRZZMNIFMVGHFY-JKSUJKDBSA-N 1 3 331.464 0.843 20 0 ECADHO Cn1cc(CN2CCC3(C[C@H]3NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001016970017 767413783 /nfs/dbraw/zinc/41/37/83/767413783.db2.gz QRZZMNIFMVGHFY-JKSUJKDBSA-N 1 3 331.464 0.843 20 0 ECADHO CN(C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC001017198629 767714952 /nfs/dbraw/zinc/71/49/52/767714952.db2.gz WFRIWWAKWBZFHW-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106665401 768578436 /nfs/dbraw/zinc/57/84/36/768578436.db2.gz VBYRLKGLZKLWFD-BZUAXINKSA-N 1 3 327.469 0.164 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106672512 768587856 /nfs/dbraw/zinc/58/78/56/768587856.db2.gz ACIWJBFQNIOWOH-HUUCEWRRSA-N 1 3 340.512 0.737 20 0 ECADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672765 768587998 /nfs/dbraw/zinc/58/79/98/768587998.db2.gz JNSUGLWNFCYZJF-OAGGEKHMSA-N 1 3 343.512 0.656 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001106672530 768588021 /nfs/dbraw/zinc/58/80/21/768588021.db2.gz BLUNXCGJPRBEKU-KFWWJZLASA-N 1 3 338.496 0.537 20 0 ECADHO C[C@@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCCN1CCCO ZINC000993371542 768892591 /nfs/dbraw/zinc/89/25/91/768892591.db2.gz ZQENDUGKPHZHFA-HUUCEWRRSA-N 1 3 337.468 0.410 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1 ZINC001106778341 768940777 /nfs/dbraw/zinc/94/07/77/768940777.db2.gz DNCFNVXCVMLIRN-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1 ZINC001106779369 768942703 /nfs/dbraw/zinc/94/27/03/768942703.db2.gz LLKAZKZAJYACKQ-HZPDHXFCSA-N 1 3 340.512 0.879 20 0 ECADHO CNC(=O)c1cccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001018634547 769686665 /nfs/dbraw/zinc/68/66/65/769686665.db2.gz KFTQMCQNKMACAF-IRXDYDNUSA-N 1 3 344.459 0.831 20 0 ECADHO CN(C)Cc1cccc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000993845601 769742764 /nfs/dbraw/zinc/74/27/64/769742764.db2.gz ZDWDFFPHWNBHCN-MRXNPFEDSA-N 1 3 344.459 0.641 20 0 ECADHO CN(C)Cc1cccc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000993845601 769742774 /nfs/dbraw/zinc/74/27/74/769742774.db2.gz ZDWDFFPHWNBHCN-MRXNPFEDSA-N 1 3 344.459 0.641 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000993882295 769781804 /nfs/dbraw/zinc/78/18/04/769781804.db2.gz CDSXVQVBDSZZEQ-FVQBIDKESA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000993882295 769781816 /nfs/dbraw/zinc/78/18/16/769781816.db2.gz CDSXVQVBDSZZEQ-FVQBIDKESA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000993944027 769920568 /nfs/dbraw/zinc/92/05/68/769920568.db2.gz CKCKCQMZKAZHBZ-JKSUJKDBSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000993944027 769920572 /nfs/dbraw/zinc/92/05/72/769920572.db2.gz CKCKCQMZKAZHBZ-JKSUJKDBSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)(C(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1)[NH+]1CCCCC1 ZINC001018848654 770087059 /nfs/dbraw/zinc/08/70/59/770087059.db2.gz HHQIOADONUHPCU-LSDHHAIUSA-N 1 3 336.480 0.720 20 0 ECADHO O=C(CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCCC1 ZINC001018854870 770104627 /nfs/dbraw/zinc/10/46/27/770104627.db2.gz OBMGXGUGKUODSJ-HOTGVXAUSA-N 1 3 334.464 0.141 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001018937193 770321343 /nfs/dbraw/zinc/32/13/43/770321343.db2.gz PPCNKTCETMCAOS-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001018937193 770321354 /nfs/dbraw/zinc/32/13/54/770321354.db2.gz PPCNKTCETMCAOS-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1)C1CC1 ZINC001018965008 770417721 /nfs/dbraw/zinc/41/77/21/770417721.db2.gz SWRITYKTLCWVTN-DLBZAZTESA-N 1 3 344.459 0.816 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001083749677 770563477 /nfs/dbraw/zinc/56/34/77/770563477.db2.gz MDDBZBVTAHSORO-XHSDSOJGSA-N 1 3 325.453 0.059 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC[C@@H]2C)C1)N(C)C ZINC001019033507 770611091 /nfs/dbraw/zinc/61/10/91/770611091.db2.gz QLWRARWHTDCTRE-HRCADAONSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001019038700 770629855 /nfs/dbraw/zinc/62/98/55/770629855.db2.gz YSCUJXRHKLYJOW-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001019038700 770629862 /nfs/dbraw/zinc/62/98/62/770629862.db2.gz YSCUJXRHKLYJOW-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2)C1CC1 ZINC001019107872 770801941 /nfs/dbraw/zinc/80/19/41/770801941.db2.gz AEZLSYAENCOJQN-HZPDHXFCSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2)C1CC1 ZINC001019107872 770801956 /nfs/dbraw/zinc/80/19/56/770801956.db2.gz AEZLSYAENCOJQN-HZPDHXFCSA-N 1 3 348.491 0.339 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)CN1CCCC1)C2)C1CC1 ZINC001019107987 770803228 /nfs/dbraw/zinc/80/32/28/770803228.db2.gz FBGNDYMHGMWTIW-KRWDZBQOSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001019155417 770947401 /nfs/dbraw/zinc/94/74/01/770947401.db2.gz MUUFDSYGHYAVDV-INIZCTEOSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCc3ccnn3C)C2)CC[N@@H+]1C ZINC001078405349 782884440 /nfs/dbraw/zinc/88/44/40/782884440.db2.gz LABATSMOSYOBPD-DJIMGWMZSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCc3ccnn3C)C2)CC[N@H+]1C ZINC001078405349 782884443 /nfs/dbraw/zinc/88/44/43/782884443.db2.gz LABATSMOSYOBPD-DJIMGWMZSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCc3cncn3C)C2)CC[N@@H+]1C ZINC001078405515 782884817 /nfs/dbraw/zinc/88/48/17/782884817.db2.gz PQLUBQXVPMHXKM-DJIMGWMZSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCc3cncn3C)C2)CC[N@H+]1C ZINC001078405515 782884821 /nfs/dbraw/zinc/88/48/21/782884821.db2.gz PQLUBQXVPMHXKM-DJIMGWMZSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@H]3CCCN(C)C3=O)C2)CC[N@@H+]1C ZINC001019289879 771108912 /nfs/dbraw/zinc/10/89/12/771108912.db2.gz IIAKVXRLBWSJBL-VGWMRTNUSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@H]3CCCN(C)C3=O)C2)CC[N@H+]1C ZINC001019289879 771108917 /nfs/dbraw/zinc/10/89/17/771108917.db2.gz IIAKVXRLBWSJBL-VGWMRTNUSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2cccc(C(N)=O)c2)C1 ZINC001019380994 771228014 /nfs/dbraw/zinc/22/80/14/771228014.db2.gz VDWZYDLZMGBVFF-YOEHRIQHSA-N 1 3 344.459 0.960 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2cccc(C(N)=O)c2)C1 ZINC001019380994 771228017 /nfs/dbraw/zinc/22/80/17/771228017.db2.gz VDWZYDLZMGBVFF-YOEHRIQHSA-N 1 3 344.459 0.960 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001019382692 771230055 /nfs/dbraw/zinc/23/00/55/771230055.db2.gz HGUUOKNJANABEU-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001019382692 771230060 /nfs/dbraw/zinc/23/00/60/771230060.db2.gz HGUUOKNJANABEU-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001019382693 771230126 /nfs/dbraw/zinc/23/01/26/771230126.db2.gz 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C[C@H]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C3)C1 ZINC001019443530 771294471 /nfs/dbraw/zinc/29/44/71/771294471.db2.gz RLMIGJBCPKOSLF-HOTGVXAUSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C3)C1 ZINC001019443530 771294473 /nfs/dbraw/zinc/29/44/73/771294473.db2.gz RLMIGJBCPKOSLF-HOTGVXAUSA-N 1 3 348.491 0.341 20 0 ECADHO O=C(NCCN[C@@H]1CCN(C2CCC2)C1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481495 771318561 /nfs/dbraw/zinc/31/85/61/771318561.db2.gz UIFIQFCSKSKRKE-JKSUJKDBSA-N 1 3 334.464 0.187 20 0 ECADHO CN1CCC[C@@H](N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001019469643 771332468 /nfs/dbraw/zinc/33/24/68/771332468.db2.gz GMNLPXQIGGFSPQ-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001019494124 771359448 /nfs/dbraw/zinc/35/94/48/771359448.db2.gz AOIBTRPMJDARFU-ZFWWWQNUSA-N 1 3 345.447 0.211 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001019494124 771359453 /nfs/dbraw/zinc/35/94/53/771359453.db2.gz AOIBTRPMJDARFU-ZFWWWQNUSA-N 1 3 345.447 0.211 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056546643 771371390 /nfs/dbraw/zinc/37/13/90/771371390.db2.gz XRPMOCGTLYVKKI-PMPSAXMXSA-N 1 3 338.496 0.870 20 0 ECADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1=O ZINC001019520345 771403727 /nfs/dbraw/zinc/40/37/27/771403727.db2.gz YDBPJRLOGJJTRH-DLBZAZTESA-N 1 3 344.459 0.783 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1=O ZINC001019560763 771488072 /nfs/dbraw/zinc/48/80/72/771488072.db2.gz WZKQLOPRQMDKLB-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001019772447 771779994 /nfs/dbraw/zinc/77/99/94/771779994.db2.gz GCBMBUFUEAKMGF-HIFRSBDPSA-N 1 3 333.436 0.436 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001019772447 771779997 /nfs/dbraw/zinc/77/99/97/771779997.db2.gz GCBMBUFUEAKMGF-HIFRSBDPSA-N 1 3 333.436 0.436 20 0 ECADHO CNC(=O)c1cccc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001019772709 771780630 /nfs/dbraw/zinc/78/06/30/771780630.db2.gz PAZZRYWVYCWCKS-SJORKVTESA-N 1 3 344.459 0.688 20 0 ECADHO CNC(=O)c1cccc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001019772709 771780635 /nfs/dbraw/zinc/78/06/35/771780635.db2.gz PAZZRYWVYCWCKS-SJORKVTESA-N 1 3 344.459 0.688 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001019774767 771783529 /nfs/dbraw/zinc/78/35/29/771783529.db2.gz HRBVOEFNMWMAAI-HOCLYGCPSA-N 1 3 334.464 0.426 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001020144272 772212642 /nfs/dbraw/zinc/21/26/42/772212642.db2.gz XCNIXQIZLCIPNJ-YHUYYLMFSA-N 1 3 346.479 0.875 20 0 ECADHO CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C(C)(C)N3CCCCC3)C2)C1=O ZINC001020156329 772226590 /nfs/dbraw/zinc/22/65/90/772226590.db2.gz HABGCRILSPFZOE-KKUMJFAQSA-N 1 3 336.480 0.718 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001020171291 772240214 /nfs/dbraw/zinc/24/02/14/772240214.db2.gz VRZATDWPXHAGBI-DTZQCDIJSA-N 1 3 347.463 0.871 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001020171291 772240216 /nfs/dbraw/zinc/24/02/16/772240216.db2.gz VRZATDWPXHAGBI-DTZQCDIJSA-N 1 3 347.463 0.871 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179002 772249846 /nfs/dbraw/zinc/24/98/46/772249846.db2.gz KVUGQIJIXPHMOQ-ANQUJSFKSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020179002 772249848 /nfs/dbraw/zinc/24/98/48/772249848.db2.gz KVUGQIJIXPHMOQ-ANQUJSFKSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]3CCN(C)C3=O)C1)CC2 ZINC001020316588 772438071 /nfs/dbraw/zinc/43/80/71/772438071.db2.gz PHTIYUCASXFNEX-ABHRYQDASA-N 1 3 345.447 0.291 20 0 ECADHO Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]3CCN(C)C3=O)C1)C2 ZINC001020316588 772438075 /nfs/dbraw/zinc/43/80/75/772438075.db2.gz PHTIYUCASXFNEX-ABHRYQDASA-N 1 3 345.447 0.291 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001020348273 772478572 /nfs/dbraw/zinc/47/85/72/772478572.db2.gz WTFPTHHZJGYTJH-SHTZXODSSA-N 1 3 345.447 0.850 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406899 772550736 /nfs/dbraw/zinc/55/07/36/772550736.db2.gz FIFKCJIAUMGKJU-RVKOJVRFSA-N 1 3 349.475 0.513 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001045078152 774944012 /nfs/dbraw/zinc/94/40/12/774944012.db2.gz BTSXNXAFVZAHCR-HOCLYGCPSA-N 1 3 336.484 0.965 20 0 ECADHO CN1CC[C@H](NC[C@@H]2CCCN2C(=O)CC2CC[NH+](C)CC2)C1=O ZINC001045228853 775181777 /nfs/dbraw/zinc/18/17/77/775181777.db2.gz CXOICXCKDORFOD-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001045251372 775234283 /nfs/dbraw/zinc/23/42/83/775234283.db2.gz PPNHMPHFNLHQBS-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)COC2CC[NH+](C)CC2)cn1 ZINC001045257166 775246815 /nfs/dbraw/zinc/24/68/15/775246815.db2.gz MJBXHXOSVCEQHC-INIZCTEOSA-N 1 3 349.479 0.612 20 0 ECADHO CN1CC[C@@H](NC[C@@H]2CCCN2C(=O)CC[NH+]2CCCCC2)C1=O ZINC001045322784 775412780 /nfs/dbraw/zinc/41/27/80/775412780.db2.gz NLYIMYHTMXDDKM-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[NH+]1CCC(C(=O)NC2(C)CCN(CCn3cncn3)CC2)CC1 ZINC001045544866 775768408 /nfs/dbraw/zinc/76/84/08/775768408.db2.gz PBTHDHGPBBSKCB-UHFFFAOYSA-N 1 3 334.468 0.591 20 0 ECADHO CCN(C(=O)CC[NH+]1CCCCC1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001079927403 777094884 /nfs/dbraw/zinc/09/48/84/777094884.db2.gz MNNVTABNFSGWFV-UHFFFAOYSA-N 1 3 347.463 0.888 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001079945249 777124017 /nfs/dbraw/zinc/12/40/17/777124017.db2.gz IAZRZWQSHDRRRJ-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080140634 777450661 /nfs/dbraw/zinc/45/06/61/777450661.db2.gz XZPXJZMTICRHBZ-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080140634 777450665 /nfs/dbraw/zinc/45/06/65/777450665.db2.gz XZPXJZMTICRHBZ-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001080192317 777531346 /nfs/dbraw/zinc/53/13/46/777531346.db2.gz NMKREBNWVRDSCX-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080192317 777531348 /nfs/dbraw/zinc/53/13/48/777531348.db2.gz NMKREBNWVRDSCX-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001080533437 777973982 /nfs/dbraw/zinc/97/39/82/777973982.db2.gz FEUJJYMGVUIKTP-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001080533437 777973986 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CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001073631137 786818620 /nfs/dbraw/zinc/81/86/20/786818620.db2.gz OAPSSYCNAZSPNU-CVEARBPZSA-N 1 3 327.469 0.164 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001073631137 786818631 /nfs/dbraw/zinc/81/86/31/786818631.db2.gz OAPSSYCNAZSPNU-CVEARBPZSA-N 1 3 327.469 0.164 20 0 ECADHO O=C(NC[C@@H]1CN(CCO)CCCO1)C12CCC[NH+](CCC1)C2 ZINC001073651724 786874051 /nfs/dbraw/zinc/87/40/51/786874051.db2.gz DPJRLMUXFZNTOX-OAHLLOKOSA-N 1 3 325.453 0.062 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CN(CCO)CCCO2)cc1 ZINC001073764001 787155388 /nfs/dbraw/zinc/15/53/88/787155388.db2.gz ASHHIKPGEIIGKT-SFHVURJKSA-N 1 3 349.475 0.604 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001074090316 787855854 /nfs/dbraw/zinc/85/58/54/787855854.db2.gz NCPPOYWPTDHBSQ-GXTWGEPZSA-N 1 3 335.452 0.566 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](C)C1 ZINC001074090509 787856530 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ZINC001072983294 789218725 /nfs/dbraw/zinc/21/87/25/789218725.db2.gz QRJHXTXIMUMSFF-HNNXBMFYSA-N 1 3 332.452 0.154 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(CCn2cncn2)C3)C1 ZINC001072983294 789218731 /nfs/dbraw/zinc/21/87/31/789218731.db2.gz QRJHXTXIMUMSFF-HNNXBMFYSA-N 1 3 332.452 0.154 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2OCCC[C@H]2[NH2+]CCO)CC1 ZINC001075415940 789344639 /nfs/dbraw/zinc/34/46/39/789344639.db2.gz QTBPREKYZWMVAE-WBVHZDCISA-N 1 3 336.436 0.320 20 0 ECADHO O=C(CN1CCCC1)N1CC2(C1)CC[N@H+](CCN1CCCC1=O)C2 ZINC001073431465 789833516 /nfs/dbraw/zinc/83/35/16/789833516.db2.gz YQYJWJUMZWXLLA-UHFFFAOYSA-N 1 3 334.464 0.239 20 0 ECADHO O=C(CN1CCCC1)N1CC2(C1)CC[N@@H+](CCN1CCCC1=O)C2 ZINC001073431465 789833519 /nfs/dbraw/zinc/83/35/19/789833519.db2.gz YQYJWJUMZWXLLA-UHFFFAOYSA-N 1 3 334.464 0.239 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930621 790203422 /nfs/dbraw/zinc/20/34/22/790203422.db2.gz UZJLVCYCDLDMNE-FPCVCCKLSA-N 1 3 334.468 0.616 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930621 790203426 /nfs/dbraw/zinc/20/34/26/790203426.db2.gz UZJLVCYCDLDMNE-FPCVCCKLSA-N 1 3 334.468 0.616 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001067010363 792571328 /nfs/dbraw/zinc/57/13/28/792571328.db2.gz JYDQTENKCKNDMQ-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001067010363 792571334 /nfs/dbraw/zinc/57/13/34/792571334.db2.gz JYDQTENKCKNDMQ-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456161 837441720 /nfs/dbraw/zinc/44/17/20/837441720.db2.gz NIJSVGAYFMVHEF-CABCVRRESA-N 1 3 326.485 0.679 20 0 ECADHO COCCN1CCN(CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001266277785 835603913 /nfs/dbraw/zinc/60/39/13/835603913.db2.gz PVQOLTNDCSJVNF-CALCHBBNSA-N 1 3 340.512 0.630 20 0 ECADHO COCCN1CCN(CCCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001266277785 835603919 /nfs/dbraw/zinc/60/39/19/835603919.db2.gz PVQOLTNDCSJVNF-CALCHBBNSA-N 1 3 340.512 0.630 20 0 ECADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)NC(C)C)C1)N(C)C ZINC001266633003 836067741 /nfs/dbraw/zinc/06/77/41/836067741.db2.gz YTSUEAQTRADBQB-MGPQQGTHSA-N 1 3 327.473 0.271 20 0 ECADHO CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001266835966 836357228 /nfs/dbraw/zinc/35/72/28/836357228.db2.gz BXFBQOBEQMNSQA-KGLIPLIRSA-N 1 3 333.498 0.199 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCN2CCCC2=O)C1 ZINC001267035638 836656962 /nfs/dbraw/zinc/65/69/62/836656962.db2.gz PTDKCNHXFGFXKW-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001414160981 837009841 /nfs/dbraw/zinc/00/98/41/837009841.db2.gz SWZISWNNUMAGCF-GOEBONIOSA-N 1 3 326.485 0.584 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001408693396 838008324 /nfs/dbraw/zinc/00/83/24/838008324.db2.gz BGELJRXKJGWRAC-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO CN(C)C(=O)C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001267886663 838686433 /nfs/dbraw/zinc/68/64/33/838686433.db2.gz SKBJZJWVDVENAE-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C)C(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267888655 838693571 /nfs/dbraw/zinc/69/35/71/838693571.db2.gz GSWJGXLDVIQVES-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415690805 282114838 /nfs/dbraw/zinc/11/48/38/282114838.db2.gz MJOMSGOSCIVKJX-GOSISDBHSA-N 1 3 332.448 0.927 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418876196 282116317 /nfs/dbraw/zinc/11/63/17/282116317.db2.gz LURWPGXYTODEAL-HZPDHXFCSA-N 1 3 332.448 0.225 20 0 ECADHO CC(C)(C)CCN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354664137 299089159 /nfs/dbraw/zinc/08/91/59/299089159.db2.gz DCJXHGRGQMUCLC-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354672691 299092724 /nfs/dbraw/zinc/09/27/24/299092724.db2.gz DQOBVDCAEJBXIH-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000354700345 299099869 /nfs/dbraw/zinc/09/98/69/299099869.db2.gz ABOQVNJKSGPMEM-NVXWUHKLSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCOCC[NH+](C)C ZINC000426212713 210138290 /nfs/dbraw/zinc/13/82/90/210138290.db2.gz JEPSQGIKMHTSIV-OAHLLOKOSA-N 1 3 342.484 0.459 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000425941039 210123100 /nfs/dbraw/zinc/12/31/00/210123100.db2.gz YLOPLVFOTDQERZ-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000425941039 210123105 /nfs/dbraw/zinc/12/31/05/210123105.db2.gz YLOPLVFOTDQERZ-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)[C@@H]2C1 ZINC000425390171 210049251 /nfs/dbraw/zinc/04/92/51/210049251.db2.gz QPZRGGHBXGCRCZ-YESZJQIVSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1C[N@@H+](CC2CCN(CCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000069016931 215352736 /nfs/dbraw/zinc/35/27/36/215352736.db2.gz ZMZSHMHGCPRWAB-OKILXGFUSA-N 1 3 338.452 0.359 20 0 ECADHO C[C@@H]1C[N@H+](CC2CCN(CCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000069016931 215352738 /nfs/dbraw/zinc/35/27/38/215352738.db2.gz ZMZSHMHGCPRWAB-OKILXGFUSA-N 1 3 338.452 0.359 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000355003337 299182276 /nfs/dbraw/zinc/18/22/76/299182276.db2.gz NSYWJRXVOHRUFV-IAGOWNOFSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000355003337 299182279 /nfs/dbraw/zinc/18/22/79/299182279.db2.gz NSYWJRXVOHRUFV-IAGOWNOFSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000355014901 299184991 /nfs/dbraw/zinc/18/49/91/299184991.db2.gz HHRFGMRCSCXGSU-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000355014901 299184995 /nfs/dbraw/zinc/18/49/95/299184995.db2.gz HHRFGMRCSCXGSU-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419024334 291055447 /nfs/dbraw/zinc/05/54/47/291055447.db2.gz KOATZWQMCHXRNY-ILXRZTDVSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000355273914 299228890 /nfs/dbraw/zinc/22/88/90/299228890.db2.gz CGIWCHROWMVLPG-GJZGRUSLSA-N 1 3 342.484 0.060 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCC(=O)NCCN2CCCCCC2)CC[NH2+]1 ZINC000418610008 291075561 /nfs/dbraw/zinc/07/55/61/291075561.db2.gz TWJVGQWHJRNHBW-GJZGRUSLSA-N 1 3 339.484 0.418 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423411092 283231918 /nfs/dbraw/zinc/23/19/18/283231918.db2.gz FAJSZQIPBHKJGU-SFHVURJKSA-N 1 3 338.496 0.779 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355861888 299311351 /nfs/dbraw/zinc/31/13/51/299311351.db2.gz ITAGJFYHVSTKLZ-UHFFFAOYSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419172432 296023029 /nfs/dbraw/zinc/02/30/29/296023029.db2.gz QWWYBTMALFOTLA-OAGGEKHMSA-N 1 3 338.496 0.951 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420166387 209327581 /nfs/dbraw/zinc/32/75/81/209327581.db2.gz HYZQMKKZBDBSGQ-LSDHHAIUSA-N 1 3 338.496 0.822 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420102425 209306055 /nfs/dbraw/zinc/30/60/55/209306055.db2.gz NPQUVDALYXUECK-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420091015 209303569 /nfs/dbraw/zinc/30/35/69/209303569.db2.gz UJCXHFAAVBMVEI-UHFFFAOYSA-N 1 3 326.485 0.539 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420084469 209301760 /nfs/dbraw/zinc/30/17/60/209301760.db2.gz MRJBJGWKLJGQRR-OAHLLOKOSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])N1CCC[C@@H](C)C1 ZINC000420071230 209296468 /nfs/dbraw/zinc/29/64/68/209296468.db2.gz WLVAGCZBMPSWIS-KLHDSHLOSA-N 1 3 338.496 0.857 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038010 209286413 /nfs/dbraw/zinc/28/64/13/209286413.db2.gz MPFUDKSDYKFVOW-BFHYXJOUSA-N 1 3 340.468 0.064 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038010 209286418 /nfs/dbraw/zinc/28/64/18/209286418.db2.gz MPFUDKSDYKFVOW-BFHYXJOUSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000420007650 209275502 /nfs/dbraw/zinc/27/55/02/209275502.db2.gz ZTQLZCCRCXVOAK-OWCLPIDISA-N 1 3 338.496 0.729 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000419977720 209266734 /nfs/dbraw/zinc/26/67/34/209266734.db2.gz MZQGFAYCOXDENW-CQSZACIVSA-N 1 3 326.485 0.809 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC[C@H]21 ZINC000419925441 209250786 /nfs/dbraw/zinc/25/07/86/209250786.db2.gz IRGWWDQBKUIZAC-IXDOHACOSA-N 1 3 344.459 0.745 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC[C@H]21 ZINC000419925441 209250789 /nfs/dbraw/zinc/25/07/89/209250789.db2.gz IRGWWDQBKUIZAC-IXDOHACOSA-N 1 3 344.459 0.745 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419913795 209248168 /nfs/dbraw/zinc/24/81/68/209248168.db2.gz BFUOIZDUXHNCEA-IXDOHACOSA-N 1 3 344.459 0.745 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419913795 209248170 /nfs/dbraw/zinc/24/81/70/209248170.db2.gz BFUOIZDUXHNCEA-IXDOHACOSA-N 1 3 344.459 0.745 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](CN)C1CCCCC1)C[NH+]1CCCC1 ZINC000419818606 209214039 /nfs/dbraw/zinc/21/40/39/209214039.db2.gz JIDURRNZGMCCHU-GDBMZVCRSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000419731833 209191725 /nfs/dbraw/zinc/19/17/25/209191725.db2.gz RNJIMYKGANPUQH-KBPBESRZSA-N 1 3 332.448 0.792 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419785022 209204879 /nfs/dbraw/zinc/20/48/79/209204879.db2.gz XVJRAGYYRLJWHB-ZNMIVQPWSA-N 1 3 338.496 0.951 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419719550 209186856 /nfs/dbraw/zinc/18/68/56/209186856.db2.gz GSIVRPWVXSBDDW-UHFFFAOYSA-N 1 3 346.475 0.883 20 0 ECADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419694276 209173941 /nfs/dbraw/zinc/17/39/41/209173941.db2.gz KFDXZYIGIQVQSE-HUUCEWRRSA-N 1 3 336.480 0.707 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419667439 209165763 /nfs/dbraw/zinc/16/57/63/209165763.db2.gz AKLNPFWRFAAVPE-HRCADAONSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419643769 209155271 /nfs/dbraw/zinc/15/52/71/209155271.db2.gz NRRDHUTWENAQCK-INIZCTEOSA-N 1 3 334.464 0.854 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419591444 209134819 /nfs/dbraw/zinc/13/48/19/209134819.db2.gz VIVZJQBULQKONY-IUODEOHRSA-N 1 3 330.498 0.030 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2CC)CC1 ZINC000419590415 209134364 /nfs/dbraw/zinc/13/43/64/209134364.db2.gz QJFDIYAAZULLDA-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)C(C)(C)C[NH+](C)C ZINC000419550814 209124309 /nfs/dbraw/zinc/12/43/09/209124309.db2.gz VFNMCDBINDGQOJ-JSGCOSHPSA-N 1 3 326.485 0.713 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419528987 209117353 /nfs/dbraw/zinc/11/73/53/209117353.db2.gz XGMOLHYMNMZBJB-GDBMZVCRSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449748272 211296852 /nfs/dbraw/zinc/29/68/52/211296852.db2.gz BDDJLOJAEBCTIJ-RBSFLKMASA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCN(CCC(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)CC1 ZINC000444358609 211071904 /nfs/dbraw/zinc/07/19/04/211071904.db2.gz BVMZLBOEERGVPA-INIZCTEOSA-N 1 3 340.512 0.318 20 0 ECADHO CCN1CCN(CCC(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)CC1 ZINC000444358609 211071906 /nfs/dbraw/zinc/07/19/06/211071906.db2.gz BVMZLBOEERGVPA-INIZCTEOSA-N 1 3 340.512 0.318 20 0 ECADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357087598 299515628 /nfs/dbraw/zinc/51/56/28/299515628.db2.gz WDBAANQQFSPVCP-VNQPRFMTSA-N 1 3 336.480 0.420 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1NCCc2ccccc21 ZINC000357240584 299544441 /nfs/dbraw/zinc/54/44/41/299544441.db2.gz LPGXUCGUBMAKAD-JKSUJKDBSA-N 1 3 330.432 0.248 20 0 ECADHO Cc1cc(NC(=O)C(=O)NCCN(C)C)ccc1OCC[NH+](C)C ZINC000411221434 208072879 /nfs/dbraw/zinc/07/28/79/208072879.db2.gz DQANDNHFVOSCRT-UHFFFAOYSA-N 1 3 336.436 0.552 20 0 ECADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)N(C)C)C(C)C)[NH+](C)C ZINC000413438500 208324841 /nfs/dbraw/zinc/32/48/41/208324841.db2.gz QANOFZSXLWTBSO-ZNMIVQPWSA-N 1 3 328.501 0.924 20 0 ECADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000413438500 208324847 /nfs/dbraw/zinc/32/48/47/208324847.db2.gz QANOFZSXLWTBSO-ZNMIVQPWSA-N 1 3 328.501 0.924 20 0 ECADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430575371 210382900 /nfs/dbraw/zinc/38/29/00/210382900.db2.gz KLQMGBHRAACEHL-OAHLLOKOSA-N 1 3 342.465 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419473345 209104173 /nfs/dbraw/zinc/10/41/73/209104173.db2.gz AJBMHSNJGABGER-HZPDHXFCSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419473345 209104177 /nfs/dbraw/zinc/10/41/77/209104177.db2.gz AJBMHSNJGABGER-HZPDHXFCSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])N1CCC(C)CC1 ZINC000419146766 209000076 /nfs/dbraw/zinc/00/00/76/209000076.db2.gz IBVVWKKJOQQVFG-CQSZACIVSA-N 1 3 326.485 0.666 20 0 ECADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[NH2+]C ZINC000419902512 285251976 /nfs/dbraw/zinc/25/19/76/285251976.db2.gz VVNXFKMGXJZFEI-MRXNPFEDSA-N 1 3 347.463 0.230 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419164038 209007425 /nfs/dbraw/zinc/00/74/25/209007425.db2.gz XYXBJFSAMMRNII-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NC1CC[NH2+]CC1 ZINC000419425362 209091848 /nfs/dbraw/zinc/09/18/48/209091848.db2.gz PLJRIZPRHITWSO-UHFFFAOYSA-N 1 3 344.459 0.419 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419175541 209013856 /nfs/dbraw/zinc/01/38/56/209013856.db2.gz XUXVCBXNSHGSJX-WBVHZDCISA-N 1 3 348.491 0.970 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000419165875 209009177 /nfs/dbraw/zinc/00/91/77/209009177.db2.gz GTNRCAPLRKQKNZ-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NCCN)cc1 ZINC000419180874 209014994 /nfs/dbraw/zinc/01/49/94/209014994.db2.gz AYDWGCZTOAMQRL-AWEZNQCLSA-N 1 3 332.448 0.752 20 0 ECADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NCCN)cc1 ZINC000419180874 209014996 /nfs/dbraw/zinc/01/49/96/209014996.db2.gz AYDWGCZTOAMQRL-AWEZNQCLSA-N 1 3 332.448 0.752 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC[C@H]1[NH3+] ZINC000419230693 209034313 /nfs/dbraw/zinc/03/43/13/209034313.db2.gz QHFSEYSWRIWULS-VNQPRFMTSA-N 1 3 336.480 0.563 20 0 ECADHO [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419232572 209035641 /nfs/dbraw/zinc/03/56/41/209035641.db2.gz UWZOBXVXXMVJQE-INIZCTEOSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419231502 209035675 /nfs/dbraw/zinc/03/56/75/209035675.db2.gz RZWVPCJPJDNXKI-GOEBONIOSA-N 1 3 346.475 0.867 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)NCCCC[NH3+])N1CCC(C)CC1 ZINC000419367809 209071097 /nfs/dbraw/zinc/07/10/97/209071097.db2.gz DSVLXEZMHZDBGZ-OAHLLOKOSA-N 1 3 326.485 0.714 20 0 ECADHO CO[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000261619426 286060551 /nfs/dbraw/zinc/06/05/51/286060551.db2.gz BSSZNCSMGZKVKZ-CABCVRRESA-N 1 3 341.477 0.875 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H](C)C1 ZINC000249414071 286064035 /nfs/dbraw/zinc/06/40/35/286064035.db2.gz FZHRBIADOAZASG-MJBXVCDLSA-N 1 3 328.457 0.557 20 0 ECADHO CS[C@@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[C@H]1N(C)C ZINC000416026619 286700996 /nfs/dbraw/zinc/70/09/96/286700996.db2.gz IAWOUNYFFBYTQR-BBBLOLIVSA-N 1 3 328.404 0.953 20 0 ECADHO COCCCNC(=O)[C@@H](C)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178980262 164925326 /nfs/dbraw/zinc/92/53/26/164925326.db2.gz IVSZALGGPLIJEY-OAHLLOKOSA-N 1 3 326.485 0.145 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000246369324 165133544 /nfs/dbraw/zinc/13/35/44/165133544.db2.gz LVMLXXMUCKOBBI-CVEARBPZSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000246369324 165133546 /nfs/dbraw/zinc/13/35/46/165133546.db2.gz LVMLXXMUCKOBBI-CVEARBPZSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246450072 165135052 /nfs/dbraw/zinc/13/50/52/165135052.db2.gz XQWRWBGGXJXUMO-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246450072 165135056 /nfs/dbraw/zinc/13/50/56/165135056.db2.gz XQWRWBGGXJXUMO-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246450083 165136198 /nfs/dbraw/zinc/13/61/98/165136198.db2.gz XQWRWBGGXJXUMO-PMPSAXMXSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246450083 165136200 /nfs/dbraw/zinc/13/62/00/165136200.db2.gz XQWRWBGGXJXUMO-PMPSAXMXSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@]1(C[NH3+])CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000261611458 165214532 /nfs/dbraw/zinc/21/45/32/165214532.db2.gz BHOJYKJJDGNPSU-GOSISDBHSA-N 1 3 331.464 0.791 20 0 ECADHO C[C@]1(CN)CC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000261611458 165214539 /nfs/dbraw/zinc/21/45/39/165214539.db2.gz BHOJYKJJDGNPSU-GOSISDBHSA-N 1 3 331.464 0.791 20 0 ECADHO C[C@]1(CN)CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000261611458 165214547 /nfs/dbraw/zinc/21/45/47/165214547.db2.gz BHOJYKJJDGNPSU-GOSISDBHSA-N 1 3 331.464 0.791 20 0 ECADHO CC[NH+](CC)CC1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000261866195 165256009 /nfs/dbraw/zinc/25/60/09/165256009.db2.gz KUOUTRIFURJUFZ-INIZCTEOSA-N 1 3 326.485 0.666 20 0 ECADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261880061 165258318 /nfs/dbraw/zinc/25/83/18/165258318.db2.gz PBHDNZBNSOMLQZ-PMPSAXMXSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262281378 165321930 /nfs/dbraw/zinc/32/19/30/165321930.db2.gz NXUCETCXWZEKDN-SRABZTEZSA-N 1 3 333.480 0.960 20 0 ECADHO C[C@@H](C[NH3+])C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262476447 165352994 /nfs/dbraw/zinc/35/29/94/165352994.db2.gz YXAVQARFVNTOMS-AWEZNQCLSA-N 1 3 332.448 0.723 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC1=O ZINC000262598816 165366091 /nfs/dbraw/zinc/36/60/91/165366091.db2.gz WMVKWLQFSKMPBJ-BZUAXINKSA-N 1 3 336.480 0.435 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000331373273 296924160 /nfs/dbraw/zinc/92/41/60/296924160.db2.gz CTYFVOJNZYRUKF-HRCADAONSA-N 1 3 336.480 0.420 20 0 ECADHO C[NH+](C)CCCC1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000123333726 222258628 /nfs/dbraw/zinc/25/86/28/222258628.db2.gz JWPRDNKFVHLRAD-INIZCTEOSA-N 1 3 338.496 0.764 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1=O ZINC000174116223 263150268 /nfs/dbraw/zinc/15/02/68/263150268.db2.gz PJBFUOSFNSICLV-AWEZNQCLSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2CCN(CCO)CC2)C1 ZINC000176184757 263152438 /nfs/dbraw/zinc/15/24/38/263152438.db2.gz DOELNELLBDNDND-CVEARBPZSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H](CNC(=O)Cc1occc1C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000270842157 263278719 /nfs/dbraw/zinc/27/87/19/263278719.db2.gz WOLYVHGRSSKNOX-OLZOCXBDSA-N 1 3 338.452 0.568 20 0 ECADHO C[C@H](CNC(=O)Cc1occc1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000270842157 263278722 /nfs/dbraw/zinc/27/87/22/263278722.db2.gz WOLYVHGRSSKNOX-OLZOCXBDSA-N 1 3 338.452 0.568 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000272429584 263348369 /nfs/dbraw/zinc/34/83/69/263348369.db2.gz JBDHTDLGVLCWHR-UHFFFAOYSA-N 1 3 331.464 0.710 20 0 ECADHO CN1CCC(NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275616005 263623629 /nfs/dbraw/zinc/62/36/29/263623629.db2.gz MCUHPIUCRFMWDO-UHFFFAOYSA-N 1 3 332.448 0.940 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])CC1=O ZINC000494666183 276170926 /nfs/dbraw/zinc/17/09/26/276170926.db2.gz KPDSWBMLAPILRD-HRCADAONSA-N 1 3 338.496 0.953 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H](C)CN1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000419095227 276244931 /nfs/dbraw/zinc/24/49/31/276244931.db2.gz AKSABNQRJKBUBW-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418808525 277480793 /nfs/dbraw/zinc/48/07/93/277480793.db2.gz QYQLYRXSVUPTOC-CQSZACIVSA-N 1 3 326.485 0.714 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419024369 278256487 /nfs/dbraw/zinc/25/64/87/278256487.db2.gz KRFIWFDGKUHNRP-UGUYLWEFSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415622326 278373379 /nfs/dbraw/zinc/37/33/79/278373379.db2.gz XQLDODWVJADBMM-XJKSGUPXSA-N 1 3 332.448 0.843 20 0 ECADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419426834 278628044 /nfs/dbraw/zinc/62/80/44/278628044.db2.gz RBNGMOSGJBJBSE-OAHLLOKOSA-N 1 3 332.448 0.793 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419481344 279294031 /nfs/dbraw/zinc/29/40/31/279294031.db2.gz WZKZDXIHZKELOK-INMHGKMJSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419481344 279294032 /nfs/dbraw/zinc/29/40/32/279294032.db2.gz WZKZDXIHZKELOK-INMHGKMJSA-N 1 3 346.475 0.867 20 0 ECADHO COC(=O)[C@](C)(O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330734102 437601127 /nfs/dbraw/zinc/60/11/27/437601127.db2.gz LDXPPRPILKXXNX-JKIFEVAISA-N 1 3 328.453 0.732 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000340216179 437606161 /nfs/dbraw/zinc/60/61/61/437606161.db2.gz AVDDZAPFEQVZST-GJZGRUSLSA-N 1 3 340.512 0.927 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418829305 289275723 /nfs/dbraw/zinc/27/57/23/289275723.db2.gz DLYDNGINJDKNBJ-JKSUJKDBSA-N 1 3 332.448 0.083 20 0 ECADHO CN1CCN(CCNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1(C)C ZINC000418170739 290043834 /nfs/dbraw/zinc/04/38/34/290043834.db2.gz NJMQOKWBDNDSBG-HNNXBMFYSA-N 1 3 325.501 0.844 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332673999 297064244 /nfs/dbraw/zinc/06/42/44/297064244.db2.gz NPQPQPAVRMWTPK-ARFHVFGLSA-N 1 3 336.480 0.802 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CCCC1 ZINC000420078390 295242272 /nfs/dbraw/zinc/24/22/72/295242272.db2.gz ZJUAAGSGYPTTAU-HZPDHXFCSA-N 1 3 336.480 0.707 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)C[C@H]2N)cn1 ZINC000333559181 297141588 /nfs/dbraw/zinc/14/15/88/297141588.db2.gz KPTCLKMKAYKPKW-DLBZAZTESA-N 1 3 346.479 0.731 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333568925 297142610 /nfs/dbraw/zinc/14/26/10/297142610.db2.gz MCSNCTDWRJHIIJ-HRCADAONSA-N 1 3 334.468 0.731 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)C[C@H]2N)cn1 ZINC000333637041 297146105 /nfs/dbraw/zinc/14/61/05/297146105.db2.gz WSINLXFDCHSUOU-DLBZAZTESA-N 1 3 346.479 0.731 20 0 ECADHO C[C@@H]1NCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]1C ZINC000333641214 297146230 /nfs/dbraw/zinc/14/62/30/297146230.db2.gz IHDMRPMYPNGJPL-SDDRHHMPSA-N 1 3 337.390 0.214 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333852905 297152364 /nfs/dbraw/zinc/15/23/64/297152364.db2.gz XQMAMYRZLFRMEN-ZACQAIPSSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCC[C@@H](C)C1 ZINC000333932310 297156204 /nfs/dbraw/zinc/15/62/04/297156204.db2.gz GRLVMIPGXILVHJ-ZACQAIPSSA-N 1 3 337.512 0.796 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000334035354 297160361 /nfs/dbraw/zinc/16/03/61/297160361.db2.gz KSKOJYHPMUKALR-KGLIPLIRSA-N 1 3 325.457 0.969 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000334035354 297160362 /nfs/dbraw/zinc/16/03/62/297160362.db2.gz KSKOJYHPMUKALR-KGLIPLIRSA-N 1 3 325.457 0.969 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000334075183 297161656 /nfs/dbraw/zinc/16/16/56/297161656.db2.gz CFFBUXLMMDNBGN-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO C[NH+](C)CCOCCN[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340367615 297479228 /nfs/dbraw/zinc/47/92/28/297479228.db2.gz XNNMRFHKQVWZTO-MRXNPFEDSA-N 1 3 341.477 0.879 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422974897 297556884 /nfs/dbraw/zinc/55/68/84/297556884.db2.gz RZGRVHMBPLDUEH-ABXWRUBCSA-N 1 3 340.468 0.205 20 0 ECADHO Cc1nn(-c2ccncc2)cc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347028766 298389913 /nfs/dbraw/zinc/38/99/13/298389913.db2.gz WDIFHSTWCAPHQW-OAHLLOKOSA-N 1 3 342.447 0.863 20 0 ECADHO O=C(CCOC1C[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000348994978 298642350 /nfs/dbraw/zinc/64/23/50/298642350.db2.gz URRIPVAXQRGEQG-UHFFFAOYSA-N 1 3 327.494 0.843 20 0 ECADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000353084400 299009316 /nfs/dbraw/zinc/00/93/16/299009316.db2.gz OAHDNQVKYSMVIW-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CCC(=O)NC)CC1 ZINC000353186068 299020328 /nfs/dbraw/zinc/02/03/28/299020328.db2.gz UZABFVWSHXUVGN-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1=O ZINC000353446126 299049335 /nfs/dbraw/zinc/04/93/35/299049335.db2.gz ZHYGGOWHARLZQN-HOTGVXAUSA-N 1 3 336.480 0.245 20 0 ECADHO CN(C)[C@@]1(CNC(=O)NCC2([NH+](C)C)CCOCC2)CCSC1 ZINC000360669792 300013092 /nfs/dbraw/zinc/01/30/92/300013092.db2.gz QUZRVXUQXVHTCN-MRXNPFEDSA-N 1 3 344.525 0.834 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360676845 300013940 /nfs/dbraw/zinc/01/39/40/300013940.db2.gz RNDCBBPYWZCYQQ-OAHLLOKOSA-N 1 3 332.514 0.691 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360676845 300013943 /nfs/dbraw/zinc/01/39/43/300013943.db2.gz RNDCBBPYWZCYQQ-OAHLLOKOSA-N 1 3 332.514 0.691 20 0 ECADHO CSC1(CNC(=O)NC[C@](C)(O)C[NH+](C)C)CCN(C)CC1 ZINC000360693607 300016471 /nfs/dbraw/zinc/01/64/71/300016471.db2.gz KRJIHZKJQHZOPE-AWEZNQCLSA-N 1 3 332.514 0.426 20 0 ECADHO Cn1ncc2c1CCC[C@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000361484180 300100592 /nfs/dbraw/zinc/10/05/92/300100592.db2.gz IAWYONBXAZTFTG-QGZVFWFLSA-N 1 3 335.496 0.777 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](CC)CC ZINC000361867242 300135273 /nfs/dbraw/zinc/13/52/73/300135273.db2.gz FYSUOOHTYQCPQY-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H](O)COC(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368534210 300670808 /nfs/dbraw/zinc/67/08/08/300670808.db2.gz KTFKUFQJYBWOFX-MRXNPFEDSA-N 1 3 341.496 0.650 20 0 ECADHO CC[N@H+](CCNC(=O)NC[C@H](C)CN1CCN(C)CC1)C1CC1 ZINC000074053351 436103331 /nfs/dbraw/zinc/10/33/31/436103331.db2.gz ITGJVGUUPVLAKJ-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO CC[N@@H+](CCNC(=O)NC[C@H](C)CN1CCN(C)CC1)C1CC1 ZINC000074053351 436103335 /nfs/dbraw/zinc/10/33/35/436103335.db2.gz ITGJVGUUPVLAKJ-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000074096821 436105817 /nfs/dbraw/zinc/10/58/17/436105817.db2.gz GUKQUZSYFAQRPL-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000074096821 436105822 /nfs/dbraw/zinc/10/58/22/436105822.db2.gz GUKQUZSYFAQRPL-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCC[N@H+](C)C2CCCCC2)CC1=O ZINC000073086499 436067736 /nfs/dbraw/zinc/06/77/36/436067736.db2.gz SMXSGNLBILHSHX-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCC[N@@H+](C)C2CCCCC2)CC1=O ZINC000073086499 436067740 /nfs/dbraw/zinc/06/77/40/436067740.db2.gz SMXSGNLBILHSHX-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000075007446 436147049 /nfs/dbraw/zinc/14/70/49/436147049.db2.gz PMUXENSDXRXSFV-MRXNPFEDSA-N 1 3 341.496 0.793 20 0 ECADHO CN1CCN(C(=O)CC[NH+]2CCC(CN3CCOCC3)CC2)CC1 ZINC000372455943 301003270 /nfs/dbraw/zinc/00/32/70/301003270.db2.gz QKEFAVCVJDPAPI-UHFFFAOYSA-N 1 3 338.496 0.195 20 0 ECADHO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1n[nH]c2c1CNCC2 ZINC000376282020 301249269 /nfs/dbraw/zinc/24/92/69/301249269.db2.gz MFGPBRTWRIXHGB-UHFFFAOYSA-N 1 3 343.435 0.990 20 0 ECADHO CN(C)C(=O)COc1ccccc1CNCC1(O)CC[NH+](C)CC1 ZINC000077450561 436237563 /nfs/dbraw/zinc/23/75/63/436237563.db2.gz QNYATJIHECPYEQ-UHFFFAOYSA-N 1 3 335.448 0.700 20 0 ECADHO C[C@@H](CN1CCCC1=O)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077783236 436253455 /nfs/dbraw/zinc/25/34/55/436253455.db2.gz UDLXLAPPGJMHPM-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000085395679 436387201 /nfs/dbraw/zinc/38/72/01/436387201.db2.gz NTWPSSWIXCUGPJ-OWCLPIDISA-N 1 3 326.485 0.957 20 0 ECADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)C(=O)NC1CNC1 ZINC000516960036 301688113 /nfs/dbraw/zinc/68/81/13/301688113.db2.gz NTYUDSDITAVQES-UHFFFAOYSA-N 1 3 344.459 0.767 20 0 ECADHO C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1)CC[NH2+]CC2 ZINC000517025058 301691808 /nfs/dbraw/zinc/69/18/08/301691808.db2.gz QEJKPADNVPFDCY-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCN(CCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000519151439 301735810 /nfs/dbraw/zinc/73/58/10/301735810.db2.gz YNCUSAYMEWDKEE-IBGZPJMESA-N 1 3 330.476 0.671 20 0 ECADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H]1O ZINC000091726565 436459239 /nfs/dbraw/zinc/45/92/39/436459239.db2.gz PMEYJWIOQLDITM-PBHICJAKSA-N 1 3 338.496 0.957 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000519634485 301750387 /nfs/dbraw/zinc/75/03/87/301750387.db2.gz LMCIDJWIOMUWJA-GDBMZVCRSA-N 1 3 340.431 0.647 20 0 ECADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000521987206 301797309 /nfs/dbraw/zinc/79/73/09/301797309.db2.gz DXKDLTFQUNYQLL-UHFFFAOYSA-N 1 3 332.448 0.097 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC[N@H+](C)C(C)C)N1CCN(C)CC1 ZINC000101978812 436549658 /nfs/dbraw/zinc/54/96/58/436549658.db2.gz FMXFLLJVFUQHGJ-INIZCTEOSA-N 1 3 327.517 0.898 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC[N@@H+](C)C(C)C)N1CCN(C)CC1 ZINC000101978812 436549661 /nfs/dbraw/zinc/54/96/61/436549661.db2.gz FMXFLLJVFUQHGJ-INIZCTEOSA-N 1 3 327.517 0.898 20 0 ECADHO CCC(CC)N1C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000530641783 302020943 /nfs/dbraw/zinc/02/09/43/302020943.db2.gz PDCLMGYFRIEARV-OAHLLOKOSA-N 1 3 340.512 0.975 20 0 ECADHO CN1CCN(CCCNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000063665924 436644454 /nfs/dbraw/zinc/64/44/54/436644454.db2.gz FDEQCQZYIYBXSV-UHFFFAOYSA-N 1 3 348.491 0.994 20 0 ECADHO CC[NH+]1CCC(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000546733231 302250623 /nfs/dbraw/zinc/25/06/23/302250623.db2.gz QQDGWHFMLLRKPH-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1=O ZINC000237168869 436725635 /nfs/dbraw/zinc/72/56/35/436725635.db2.gz DCHYNBKSDKIGJH-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000068423589 436744042 /nfs/dbraw/zinc/74/40/42/436744042.db2.gz FGECRXJJCPZNSI-UHFFFAOYSA-N 1 3 334.464 0.819 20 0 ECADHO CC[C@@H](C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)N(C)C ZINC000125143605 436763378 /nfs/dbraw/zinc/76/33/78/436763378.db2.gz PVGBCVOMDAWBNQ-INIZCTEOSA-N 1 3 334.464 0.934 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000246905797 436787145 /nfs/dbraw/zinc/78/71/45/436787145.db2.gz ZHKWFCRNEGXTCU-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000246905797 436787147 /nfs/dbraw/zinc/78/71/47/436787147.db2.gz ZHKWFCRNEGXTCU-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CCC([NH3+])CC2)CC1=O ZINC000247325077 436793334 /nfs/dbraw/zinc/79/33/34/436793334.db2.gz TWEDGRQPZSMTEY-SLTXQBBLSA-N 1 3 336.480 0.705 20 0 ECADHO COC[C@H](O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000126992443 436796037 /nfs/dbraw/zinc/79/60/37/436796037.db2.gz NXIPPQFKHBATPA-OAHLLOKOSA-N 1 3 329.485 0.410 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC[NH2+]1 ZINC000262355139 436926533 /nfs/dbraw/zinc/92/65/33/436926533.db2.gz JFAHGNJUMQCNOW-YOEHRIQHSA-N 1 3 346.475 0.982 20 0 ECADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262339798 436926600 /nfs/dbraw/zinc/92/66/00/436926600.db2.gz FZYHFCDDYJKBIK-QZTJIDSGSA-N 1 3 346.475 0.033 20 0 ECADHO CN1CCCN(C(=O)/C=C/C=C/C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000281250977 436958551 /nfs/dbraw/zinc/95/85/51/436958551.db2.gz UNZULUBQXNTEHO-FCXRPNKRSA-N 1 3 334.464 0.427 20 0 ECADHO CN1CCCN(C(=O)/C=C/C=C/C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000281250977 436958554 /nfs/dbraw/zinc/95/85/54/436958554.db2.gz UNZULUBQXNTEHO-FCXRPNKRSA-N 1 3 334.464 0.427 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000331495320 437106661 /nfs/dbraw/zinc/10/66/61/437106661.db2.gz YWRHQZPIYCLHBJ-GJZGRUSLSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000276463801 437110197 /nfs/dbraw/zinc/11/01/97/437110197.db2.gz ARPHOOOZXXBITM-MRXNPFEDSA-N 1 3 344.503 0.988 20 0 ECADHO C[C@@H]1CN(CCC2CC[NH+](CCCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000177489613 437187443 /nfs/dbraw/zinc/18/74/43/437187443.db2.gz WCOPZZUBTCOLGE-GASCZTMLSA-N 1 3 347.525 0.876 20 0 ECADHO CS(=O)(=O)N1CCC[C@H](CN2CCC(OCCC[NH3+])CC2)C1 ZINC000317638622 437194836 /nfs/dbraw/zinc/19/48/36/437194836.db2.gz XKXDHTHYKAYPDJ-CQSZACIVSA-N 1 3 333.498 0.488 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1=CCN(C)CC1 ZINC000332053333 437201139 /nfs/dbraw/zinc/20/11/39/437201139.db2.gz UUXHGVRBAQILTQ-USXIJHARSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1=CCN(C)CC1 ZINC000332053333 437201144 /nfs/dbraw/zinc/20/11/44/437201144.db2.gz UUXHGVRBAQILTQ-USXIJHARSA-N 1 3 348.491 0.696 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000321719105 437214461 /nfs/dbraw/zinc/21/44/61/437214461.db2.gz QWQBUGNPJHPIBP-INIZCTEOSA-N 1 3 326.485 0.665 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000321719105 437214467 /nfs/dbraw/zinc/21/44/67/437214467.db2.gz QWQBUGNPJHPIBP-INIZCTEOSA-N 1 3 326.485 0.665 20 0 ECADHO CN1CCN(CCCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000325970260 437232165 /nfs/dbraw/zinc/23/21/65/437232165.db2.gz VEIFQJLVQMYXGB-IIDMSEBBSA-N 1 3 338.496 0.273 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C[C@H]2N)cn1 ZINC000333615685 437277040 /nfs/dbraw/zinc/27/70/40/437277040.db2.gz SQAMDJLGNHCWMZ-ZJIFWQFVSA-N 1 3 332.452 0.483 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C[C@H]2N)cn1 ZINC000333615685 437277043 /nfs/dbraw/zinc/27/70/43/437277043.db2.gz SQAMDJLGNHCWMZ-ZJIFWQFVSA-N 1 3 332.452 0.483 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CN1C1CC1 ZINC000333610783 437278037 /nfs/dbraw/zinc/27/80/37/437278037.db2.gz RXICBUSCNGUMTF-SHPPOPEUSA-N 1 3 332.452 0.481 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182656516 437357869 /nfs/dbraw/zinc/35/78/69/437357869.db2.gz ZFQJRVKHPVUXQG-INIZCTEOSA-N 1 3 327.517 0.996 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182656516 437357872 /nfs/dbraw/zinc/35/78/72/437357872.db2.gz ZFQJRVKHPVUXQG-INIZCTEOSA-N 1 3 327.517 0.996 20 0 ECADHO CO[C@@H](C[NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000290281022 437475133 /nfs/dbraw/zinc/47/51/33/437475133.db2.gz ZLWNLOSYNLFTBS-SJORKVTESA-N 1 3 334.464 0.455 20 0 ECADHO C[NH+](C)CCOc1ccc(CCNC(=O)C[C@H]2CNCCO2)cc1 ZINC000269269124 437478147 /nfs/dbraw/zinc/47/81/47/437478147.db2.gz RAVIWMBQOFQNBF-KRWDZBQOSA-N 1 3 335.448 0.664 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000339637348 437481848 /nfs/dbraw/zinc/48/18/48/437481848.db2.gz YLEDDTUHCOGMCB-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000339637348 437481851 /nfs/dbraw/zinc/48/18/51/437481851.db2.gz YLEDDTUHCOGMCB-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000339921572 437520736 /nfs/dbraw/zinc/52/07/36/437520736.db2.gz WGQBRRSUXIUEKP-UHFFFAOYSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000339667937 437488880 /nfs/dbraw/zinc/48/88/80/437488880.db2.gz LOGMOAOAEDAPOK-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000339671542 437489966 /nfs/dbraw/zinc/48/99/66/437489966.db2.gz TXTXUGJWUMLCRE-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000360166216 437543619 /nfs/dbraw/zinc/54/36/19/437543619.db2.gz XQYJXBNJUBNRIP-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000360186125 437550986 /nfs/dbraw/zinc/55/09/86/437550986.db2.gz ZHMBUQKBVUVULL-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000360186125 437550990 /nfs/dbraw/zinc/55/09/90/437550990.db2.gz ZHMBUQKBVUVULL-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000343305588 437554012 /nfs/dbraw/zinc/55/40/12/437554012.db2.gz KOZVCKBGRHSLDE-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000343305588 437554014 /nfs/dbraw/zinc/55/40/14/437554014.db2.gz KOZVCKBGRHSLDE-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](NC1CC[NH+](CCN2CCOCC2)CC1)C(=O)N1CCCC1 ZINC000343456061 437585686 /nfs/dbraw/zinc/58/56/86/437585686.db2.gz CUFMOYISEFBATM-MRXNPFEDSA-N 1 3 338.496 0.384 20 0 ECADHO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1(CO)CCOCC1 ZINC000190983978 437643743 /nfs/dbraw/zinc/64/37/43/437643743.db2.gz KBRRVBLSFWRIIP-KRWDZBQOSA-N 1 3 349.475 0.879 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1=NN(C)C(=O)CC1 ZINC000363075134 437766941 /nfs/dbraw/zinc/76/69/41/437766941.db2.gz IJQWKJNNWWHNGU-CQSZACIVSA-N 1 3 337.468 0.469 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1=NN(C)C(=O)CC1 ZINC000363075134 437766944 /nfs/dbraw/zinc/76/69/44/437766944.db2.gz IJQWKJNNWWHNGU-CQSZACIVSA-N 1 3 337.468 0.469 20 0 ECADHO Cc1cc(NC(=O)C(=O)NCC[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000415271315 437771813 /nfs/dbraw/zinc/77/18/13/437771813.db2.gz PVFJBHIJQZEHPW-UHFFFAOYSA-N 1 3 347.463 0.539 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362566004 437743569 /nfs/dbraw/zinc/74/35/69/437743569.db2.gz WDMSFSITKAPCAE-UONOGXRCSA-N 1 3 334.468 0.242 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340824383 437744772 /nfs/dbraw/zinc/74/47/72/437744772.db2.gz NGQOUVUGRFFRAU-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340824383 437744777 /nfs/dbraw/zinc/74/47/77/437744777.db2.gz NGQOUVUGRFFRAU-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340824389 437745314 /nfs/dbraw/zinc/74/53/14/437745314.db2.gz NGQOUVUGRFFRAU-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340824389 437745320 /nfs/dbraw/zinc/74/53/20/437745320.db2.gz NGQOUVUGRFFRAU-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340824394 437745443 /nfs/dbraw/zinc/74/54/43/437745443.db2.gz NGQOUVUGRFFRAU-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340824394 437745446 /nfs/dbraw/zinc/74/54/46/437745446.db2.gz NGQOUVUGRFFRAU-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)ccc1OCCN(C)C ZINC000415544338 437818397 /nfs/dbraw/zinc/81/83/97/437818397.db2.gz ZYGPLRGGIXQMKK-OAHLLOKOSA-N 1 3 348.447 0.727 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)C[C@H]1[NH3+] ZINC000423737085 437819495 /nfs/dbraw/zinc/81/94/95/437819495.db2.gz GECBQQHDRCYYNF-UKRRQHHQSA-N 1 3 336.436 0.366 20 0 ECADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000423743463 437820994 /nfs/dbraw/zinc/82/09/94/437820994.db2.gz MJONUEQYRZRINO-HZPDHXFCSA-N 1 3 340.537 0.710 20 0 ECADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000423743463 437820996 /nfs/dbraw/zinc/82/09/96/437820996.db2.gz MJONUEQYRZRINO-HZPDHXFCSA-N 1 3 340.537 0.710 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)COC1CCC([NH3+])CC1 ZINC000423741623 437821753 /nfs/dbraw/zinc/82/17/53/437821753.db2.gz HQMMGCXCUKOOFA-UYSNPLJNSA-N 1 3 327.469 0.842 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000341048006 437784772 /nfs/dbraw/zinc/78/47/72/437784772.db2.gz GLUROSFWIJNFHW-JKSUJKDBSA-N 1 3 327.517 0.899 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415407039 437795467 /nfs/dbraw/zinc/79/54/67/437795467.db2.gz FHKAWRRERKTDLA-CYBMUJFWSA-N 1 3 336.436 0.537 20 0 ECADHO COCCN1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000341173933 437807821 /nfs/dbraw/zinc/80/78/21/437807821.db2.gz WOLPIKBBZDXYQV-CVEARBPZSA-N 1 3 342.484 0.459 20 0 ECADHO C[NH+](C)CCn1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000364210473 437811865 /nfs/dbraw/zinc/81/18/65/437811865.db2.gz DZIVYOWMFPLCPR-RVSPLBMKSA-N 1 3 335.452 0.916 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000415491751 437813349 /nfs/dbraw/zinc/81/33/49/437813349.db2.gz WOUAYNMIQGIOGV-CQSZACIVSA-N 1 3 334.420 0.515 20 0 ECADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415516305 437813753 /nfs/dbraw/zinc/81/37/53/437813753.db2.gz FPTYTDISJPFBSF-KBPBESRZSA-N 1 3 348.447 0.761 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)c2ccn[nH]2)[C@H](C)C1 ZINC000356786199 437835434 /nfs/dbraw/zinc/83/54/34/437835434.db2.gz OBXURMBZCSGADC-CABCVRRESA-N 1 3 337.468 0.866 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)c2ccn[nH]2)[C@H](C)C1 ZINC000356786199 437835439 /nfs/dbraw/zinc/83/54/39/437835439.db2.gz OBXURMBZCSGADC-CABCVRRESA-N 1 3 337.468 0.866 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN3CCC2CC3)CC1=O ZINC000365018161 437845237 /nfs/dbraw/zinc/84/52/37/437845237.db2.gz NNAXETYDOPWSDL-DOTOQJQBSA-N 1 3 348.491 0.626 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN3CCC2CC3)CC1=O ZINC000365018161 437845242 /nfs/dbraw/zinc/84/52/42/437845242.db2.gz NNAXETYDOPWSDL-DOTOQJQBSA-N 1 3 348.491 0.626 20 0 ECADHO N[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1F ZINC000424033249 437881828 /nfs/dbraw/zinc/88/18/28/437881828.db2.gz XQVNKZBRWTYYJD-IMJJTQAJSA-N 1 3 348.422 0.337 20 0 ECADHO COc1ccc([C@@H]2[C@H](CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CCCN2C)cc1 ZINC000365331704 437896914 /nfs/dbraw/zinc/89/69/14/437896914.db2.gz PLXYEMWDLPUZDO-CWLKWCNXSA-N 1 3 347.459 0.917 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000371556868 437954891 /nfs/dbraw/zinc/95/48/91/437954891.db2.gz HVPNVEQJZRMVEB-CABCVRRESA-N 1 3 328.457 0.117 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000371556868 437954897 /nfs/dbraw/zinc/95/48/97/437954897.db2.gz HVPNVEQJZRMVEB-CABCVRRESA-N 1 3 328.457 0.117 20 0 ECADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000357307915 437962430 /nfs/dbraw/zinc/96/24/30/437962430.db2.gz ODSAIXBKLZTWJL-QZTJIDSGSA-N 1 3 346.475 0.804 20 0 ECADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000357307915 437962436 /nfs/dbraw/zinc/96/24/36/437962436.db2.gz ODSAIXBKLZTWJL-QZTJIDSGSA-N 1 3 346.475 0.804 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424544141 437968946 /nfs/dbraw/zinc/96/89/46/437968946.db2.gz GYVBJFWUDNUJNO-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417019376 438012561 /nfs/dbraw/zinc/01/25/61/438012561.db2.gz IRKNWZCIHRTVFQ-CABCVRRESA-N 1 3 339.484 0.357 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357583890 438020333 /nfs/dbraw/zinc/02/03/33/438020333.db2.gz WFMKSBZBQVNIBL-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357583890 438020339 /nfs/dbraw/zinc/02/03/39/438020339.db2.gz WFMKSBZBQVNIBL-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)NC1CC[NH2+]CC1 ZINC000417371545 438043006 /nfs/dbraw/zinc/04/30/06/438043006.db2.gz WKFKHGIGWGVBSC-UHFFFAOYSA-N 1 3 346.479 0.645 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417375935 438046596 /nfs/dbraw/zinc/04/65/96/438046596.db2.gz BIFHYYSHAROVSB-HNNXBMFYSA-N 1 3 334.468 0.582 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)CN1 ZINC000417427045 438048009 /nfs/dbraw/zinc/04/80/09/438048009.db2.gz IIFUCDCACUUQBN-ILXRZTDVSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)CN1 ZINC000417427045 438048014 /nfs/dbraw/zinc/04/80/14/438048014.db2.gz IIFUCDCACUUQBN-ILXRZTDVSA-N 1 3 339.484 0.321 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417431089 438048525 /nfs/dbraw/zinc/04/85/25/438048525.db2.gz QNFFEJUGCLMKMI-LSDHHAIUSA-N 1 3 339.484 0.228 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417434289 438049501 /nfs/dbraw/zinc/04/95/01/438049501.db2.gz XBKVLKZDAQQLGH-VXGBXAGGSA-N 1 3 349.426 0.211 20 0 ECADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC1 ZINC000371821749 437995306 /nfs/dbraw/zinc/99/53/06/437995306.db2.gz CWXQMXVLVNUDDU-KRWDZBQOSA-N 1 3 335.496 0.594 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CCN1C ZINC000348022277 438005231 /nfs/dbraw/zinc/00/52/31/438005231.db2.gz RGAIXYHCPVJMAW-FXQLRMTLSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000348761627 438094057 /nfs/dbraw/zinc/09/40/57/438094057.db2.gz JHZKHPSEFXAZRV-DOTOQJQBSA-N 1 3 348.491 0.840 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000348761627 438094063 /nfs/dbraw/zinc/09/40/63/438094063.db2.gz JHZKHPSEFXAZRV-DOTOQJQBSA-N 1 3 348.491 0.840 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NCC2=CC[NH2+]CC2)ccn1 ZINC000417948304 438094637 /nfs/dbraw/zinc/09/46/37/438094637.db2.gz IQSMLWAUHLVLOV-UHFFFAOYSA-N 1 3 333.436 0.741 20 0 ECADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000357924827 438100655 /nfs/dbraw/zinc/10/06/55/438100655.db2.gz OUJLATXLQGYENN-IKGGRYGDSA-N 1 3 335.448 0.535 20 0 ECADHO COCCCN1CCC(NC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000417443123 438051658 /nfs/dbraw/zinc/05/16/58/438051658.db2.gz XJTOTWFVQODBGI-QGZVFWFLSA-N 1 3 342.484 0.555 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000417743455 438074379 /nfs/dbraw/zinc/07/43/79/438074379.db2.gz CBFMSRBWRHVKJG-PMPSAXMXSA-N 1 3 325.501 0.687 20 0 ECADHO CN1CCN(CC2(C)CC[NH+](CC3(O)CCOCC3)CC2)CC1 ZINC000348848308 438109225 /nfs/dbraw/zinc/10/92/25/438109225.db2.gz NBNHMRBGSVNSJM-UHFFFAOYSA-N 1 3 325.497 0.877 20 0 ECADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N(C)CC[NH+](C)C)C2 ZINC000357991058 438119509 /nfs/dbraw/zinc/11/95/09/438119509.db2.gz QJOSHYBLXPPURZ-GOOCMWNKSA-N 1 3 339.484 0.273 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418207996 438120146 /nfs/dbraw/zinc/12/01/46/438120146.db2.gz PZWLZWHYRZAYCD-QWRGUYRKSA-N 1 3 325.379 0.072 20 0 ECADHO O=C(C[C@H]1CNCCO1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000430726067 438120423 /nfs/dbraw/zinc/12/04/23/438120423.db2.gz VKOXFGCFBNBLSL-HNNXBMFYSA-N 1 3 325.453 0.516 20 0 ECADHO C[C@H]([NH2+]C1(CNC(=O)COC2CNC2)CCOCC1)c1ccccc1 ZINC000430772996 438121326 /nfs/dbraw/zinc/12/13/26/438121326.db2.gz PKGJCGBRVVNJQY-HNNXBMFYSA-N 1 3 347.459 0.991 20 0 ECADHO [NH3+]CCCNC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418310411 438128320 /nfs/dbraw/zinc/12/83/20/438128320.db2.gz JTNLUNYWBYJNGM-SFHVURJKSA-N 1 3 345.491 0.937 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000349146769 438139052 /nfs/dbraw/zinc/13/90/52/438139052.db2.gz WSGMJKGNPXLJPE-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000349146769 438139053 /nfs/dbraw/zinc/13/90/53/438139053.db2.gz WSGMJKGNPXLJPE-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000418373822 438139409 /nfs/dbraw/zinc/13/94/09/438139409.db2.gz CAEGKVOUWSZVJP-SJLPKXTDSA-N 1 3 332.448 0.675 20 0 ECADHO O=C(C[C@H]1CCC[NH2+]1)NCCCN1CCN(c2ccncc2)CC1 ZINC000431028747 438140988 /nfs/dbraw/zinc/14/09/88/438140988.db2.gz TYNNAFXQKOTBHP-MRXNPFEDSA-N 1 3 331.464 0.852 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418755919 438182432 /nfs/dbraw/zinc/18/24/32/438182432.db2.gz IKUJSQUKIPMFCI-GFCCVEGCSA-N 1 3 334.411 0.518 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000349831342 438183246 /nfs/dbraw/zinc/18/32/46/438183246.db2.gz HYBRLHHIJLBCCG-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000349831342 438183250 /nfs/dbraw/zinc/18/32/50/438183250.db2.gz HYBRLHHIJLBCCG-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418799186 438192100 /nfs/dbraw/zinc/19/21/00/438192100.db2.gz TYZSLCFHRGUWFL-QBPKDAKJSA-N 1 3 338.496 0.767 20 0 ECADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000374161442 438192542 /nfs/dbraw/zinc/19/25/42/438192542.db2.gz MHBIILBRKLTKNN-OAHLLOKOSA-N 1 3 336.480 0.518 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418805529 438193174 /nfs/dbraw/zinc/19/31/74/438193174.db2.gz BDORXFMEBNQYFE-QFBILLFUSA-N 1 3 344.459 0.635 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)C(=O)NCCN(C)C ZINC000418497665 438151226 /nfs/dbraw/zinc/15/12/26/438151226.db2.gz KOEFIBLHGWXIAU-KGLIPLIRSA-N 1 3 327.473 0.115 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000358111128 438155605 /nfs/dbraw/zinc/15/56/05/438155605.db2.gz OBHFITJZRXONFO-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000358111128 438155610 /nfs/dbraw/zinc/15/56/10/438155610.db2.gz OBHFITJZRXONFO-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000358114239 438156414 /nfs/dbraw/zinc/15/64/14/438156414.db2.gz UGNWBFCREJJEII-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000358114239 438156418 /nfs/dbraw/zinc/15/64/18/438156418.db2.gz UGNWBFCREJJEII-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO O=C(NCC1=CC[NH2+]CC1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418543480 438158584 /nfs/dbraw/zinc/15/85/84/438158584.db2.gz SQKAJJWTNYLCMR-LJQANCHMSA-N 1 3 344.459 0.842 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)C(=O)NCCN(C)C ZINC000418599346 438164359 /nfs/dbraw/zinc/16/43/59/438164359.db2.gz JKKRLHRUAYUECF-KKUMJFAQSA-N 1 3 341.500 0.519 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418607193 438166150 /nfs/dbraw/zinc/16/61/50/438166150.db2.gz CNJLJWXVJPPXFC-CABCVRRESA-N 1 3 326.485 0.911 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418616602 438167231 /nfs/dbraw/zinc/16/72/31/438167231.db2.gz MPMICDRAOSMRBB-GJZGRUSLSA-N 1 3 326.485 0.911 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCC[NH2+]C)C1 ZINC000418855117 438217748 /nfs/dbraw/zinc/21/77/48/438217748.db2.gz CPOLQPUHFISCDY-CQSZACIVSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418854511 438218312 /nfs/dbraw/zinc/21/83/12/438218312.db2.gz TYLIGAWBHILXFV-HYVNUMGLSA-N 1 3 346.475 0.390 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418863266 438224653 /nfs/dbraw/zinc/22/46/53/438224653.db2.gz BMIRCWCOZZJAMO-CQSZACIVSA-N 1 3 342.484 0.237 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000418864558 438224949 /nfs/dbraw/zinc/22/49/49/438224949.db2.gz QYQRGFFETBRPKP-CVEARBPZSA-N 1 3 332.448 0.664 20 0 ECADHO C[C@H](O)CN1CCN(C(=O)CCCN2CCC([NH3+])CC2)C[C@H]1C ZINC000433134631 438227299 /nfs/dbraw/zinc/22/72/99/438227299.db2.gz GZOXXDLRSREREI-CABCVRRESA-N 1 3 326.485 0.103 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[C@@H]1[NH3+] ZINC000418876190 438231670 /nfs/dbraw/zinc/23/16/70/438231670.db2.gz LTKWNJMSIKMIMO-PVAVHDDUSA-N 1 3 346.475 0.471 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000358517068 438242713 /nfs/dbraw/zinc/24/27/13/438242713.db2.gz CFDPXVQHTPDREJ-MAUKXSAKSA-N 1 3 334.464 0.873 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000433386199 438243060 /nfs/dbraw/zinc/24/30/60/438243060.db2.gz NVPGHDAXSHUALB-AWEZNQCLSA-N 1 3 335.452 0.384 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418816062 438199135 /nfs/dbraw/zinc/19/91/35/438199135.db2.gz LLGXEPDVVMHRJV-HNAYVOBHSA-N 1 3 346.475 0.963 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418830217 438205455 /nfs/dbraw/zinc/20/54/55/438205455.db2.gz FOPAJZVPTJCMOH-DLBZAZTESA-N 1 3 346.475 0.391 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N(C)Cc1ccccc1 ZINC000418946603 438261599 /nfs/dbraw/zinc/26/15/99/438261599.db2.gz NHSVTZIRKAKXJW-INMHGKMJSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000418953806 438263381 /nfs/dbraw/zinc/26/33/81/438263381.db2.gz VQIPDQXBUHJDQX-DOTOQJQBSA-N 1 3 346.475 0.881 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000418981090 438270848 /nfs/dbraw/zinc/27/08/48/438270848.db2.gz APOCRCJEVVJUTD-MRXNPFEDSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419027991 438296353 /nfs/dbraw/zinc/29/63/53/438296353.db2.gz PNHWDPMQBVXXKM-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000418997139 438277511 /nfs/dbraw/zinc/27/75/11/438277511.db2.gz OGWCDIOTSGVAGT-PBHICJAKSA-N 1 3 346.475 0.950 20 0 ECADHO COc1cnc(NCC2(N(C)C)CC2)nc1NCC1([NH+](C)C)CC1 ZINC000419011902 438285367 /nfs/dbraw/zinc/28/53/67/438285367.db2.gz UIEXBTBSVZSMAP-UHFFFAOYSA-N 1 3 334.468 1.497 20 0 ECADHO COc1cnc(NCC2([NH+](C)C)CC2)nc1NCC1(N(C)C)CC1 ZINC000419011902 438285373 /nfs/dbraw/zinc/28/53/73/438285373.db2.gz UIEXBTBSVZSMAP-UHFFFAOYSA-N 1 3 334.468 1.497 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000351544814 438285408 /nfs/dbraw/zinc/28/54/08/438285408.db2.gz VWHJYIFDMMLQBO-SJORKVTESA-N 1 3 344.459 0.808 20 0 ECADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N(C)[C@H](C)CN)cc1 ZINC000419012279 438286054 /nfs/dbraw/zinc/28/60/54/438286054.db2.gz VQICWTKOAKWPNR-CQSZACIVSA-N 1 3 334.464 0.950 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419017528 438289671 /nfs/dbraw/zinc/28/96/71/438289671.db2.gz AZNFFVRKVGIHIP-RBSFLKMASA-N 1 3 338.496 0.999 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000419020845 438290928 /nfs/dbraw/zinc/29/09/28/438290928.db2.gz GEYNVLFPTIAOPA-QRJUGERDSA-N 1 3 338.496 0.665 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419023502 438293505 /nfs/dbraw/zinc/29/35/05/438293505.db2.gz JUBMOUIVETYJDS-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000419025372 438293511 /nfs/dbraw/zinc/29/35/11/438293511.db2.gz ZBTNBFWYUYNOHD-CQSZACIVSA-N 1 3 332.448 0.704 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419026756 438293572 /nfs/dbraw/zinc/29/35/72/438293572.db2.gz NRGCWBMDPQHHCW-CQSZACIVSA-N 1 3 326.485 0.729 20 0 ECADHO CCOC(=O)[C@@](C)(O)CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368361200 438318988 /nfs/dbraw/zinc/31/89/88/438318988.db2.gz MIBXVCRKYABSBF-WBVHZDCISA-N 1 3 327.469 0.401 20 0 ECADHO CCOC(=O)[C@@](C)(O)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368361200 438318993 /nfs/dbraw/zinc/31/89/93/438318993.db2.gz MIBXVCRKYABSBF-WBVHZDCISA-N 1 3 327.469 0.401 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351756881 438332698 /nfs/dbraw/zinc/33/26/98/438332698.db2.gz BKLIOTQFUTZERZ-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419032526 438297183 /nfs/dbraw/zinc/29/71/83/438297183.db2.gz XBOHGACKDNHFLA-LEOABGAYSA-N 1 3 338.496 0.583 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC000358787804 438302764 /nfs/dbraw/zinc/30/27/64/438302764.db2.gz ONYDKTJJEBVSCP-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC000358787804 438302767 /nfs/dbraw/zinc/30/27/67/438302767.db2.gz ONYDKTJJEBVSCP-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000419043724 438303619 /nfs/dbraw/zinc/30/36/19/438303619.db2.gz KHHBZTOFUIBBID-WLYUNCDWSA-N 1 3 338.496 0.999 20 0 ECADHO CCCN(C(=O)C(=O)NCCN1CCCC[C@H]1CC)[C@@H]1CC[NH2+]C1 ZINC000419075371 438312196 /nfs/dbraw/zinc/31/21/96/438312196.db2.gz FTEGZKFRLDZNFT-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419691289 438367348 /nfs/dbraw/zinc/36/73/48/438367348.db2.gz FMVSWGQQCKTLCH-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000352090765 438378782 /nfs/dbraw/zinc/37/87/82/438378782.db2.gz CKWFIJSJPPZOSI-IJEWVQPXSA-N 1 3 342.484 0.092 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420064899 438384974 /nfs/dbraw/zinc/38/49/74/438384974.db2.gz PCKGXUIXBPEVDO-OCCSQVGLSA-N 1 3 340.468 0.205 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)C2CCCC2)[C@H](C)C1 ZINC000420095157 438386718 /nfs/dbraw/zinc/38/67/18/438386718.db2.gz YMEORZKMLXXNRQ-BMFZPTHFSA-N 1 3 338.496 0.809 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)C2CCCC2)[C@H](C)C1 ZINC000420095157 438386721 /nfs/dbraw/zinc/38/67/21/438386721.db2.gz YMEORZKMLXXNRQ-BMFZPTHFSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](O)COC(=O)CCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369185492 438433232 /nfs/dbraw/zinc/43/32/32/438433232.db2.gz VRAIMIYIAFKDPC-CABCVRRESA-N 1 3 327.469 0.401 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC3(CCC[N@@H+]3C)CC2)CC1=O ZINC000378525113 438395983 /nfs/dbraw/zinc/39/59/83/438395983.db2.gz YXIRMZWWSUEDIP-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC3(CCC[N@H+]3C)CC2)CC1=O ZINC000378525113 438395986 /nfs/dbraw/zinc/39/59/86/438395986.db2.gz YXIRMZWWSUEDIP-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327531 438399378 /nfs/dbraw/zinc/39/93/78/438399378.db2.gz LMJUKPMDUGRENR-QXSJWSMHSA-N 1 3 336.480 0.420 20 0 ECADHO CCCN(C)CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000359273696 438401417 /nfs/dbraw/zinc/40/14/17/438401417.db2.gz NRHPQPKDQXEQKN-UHFFFAOYSA-N 1 3 334.464 0.936 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)C1CC1 ZINC000359298300 438408290 /nfs/dbraw/zinc/40/82/90/438408290.db2.gz YRCIBOXOUMDUMH-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)C1CC1 ZINC000359298300 438408293 /nfs/dbraw/zinc/40/82/93/438408293.db2.gz YRCIBOXOUMDUMH-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN(C)C2CC2)CC1=O ZINC000369035256 438414010 /nfs/dbraw/zinc/41/40/10/438414010.db2.gz DRKXQQCCAJCMAZ-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN(C)C2CC2)CC1=O ZINC000369035256 438414018 /nfs/dbraw/zinc/41/40/18/438414018.db2.gz DRKXQQCCAJCMAZ-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000421727775 438498100 /nfs/dbraw/zinc/49/81/00/438498100.db2.gz ZXXXGERONKCQFY-CZUORRHYSA-N 1 3 342.509 0.093 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000422112218 438520570 /nfs/dbraw/zinc/52/05/70/438520570.db2.gz DUJCFSLXGMSGFV-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422285741 438544016 /nfs/dbraw/zinc/54/40/16/438544016.db2.gz UJBDMMIFXPEWDX-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422285741 438544019 /nfs/dbraw/zinc/54/40/19/438544019.db2.gz UJBDMMIFXPEWDX-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO COC[C@H](CCC[NH3+])NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422750899 438603678 /nfs/dbraw/zinc/60/36/78/438603678.db2.gz AOXXAPKUZYWYRR-ZDUSSCGKSA-N 1 3 349.884 0.962 20 0 ECADHO COC[C@@H](CCC[NH3+])NCCNS(=O)(=O)c1cc(C)sc1C ZINC000422991471 438626091 /nfs/dbraw/zinc/62/60/91/438626091.db2.gz BEDKYYFKOYJWGC-CYBMUJFWSA-N 1 3 349.522 0.987 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423059416 438634237 /nfs/dbraw/zinc/63/42/37/438634237.db2.gz FQHMZCLCPOIZOS-CABCVRRESA-N 1 3 326.485 0.476 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC[C@H](CC[NH3+])C2)C1 ZINC000443069740 438640809 /nfs/dbraw/zinc/64/08/09/438640809.db2.gz KJXYUNIBUYVAGC-IAGOWNOFSA-N 1 3 340.512 0.520 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)C[C@H](C)N1C(=O)/C=C/CN(C)C ZINC000493700942 438643452 /nfs/dbraw/zinc/64/34/52/438643452.db2.gz YQQTWDWLNBRYTL-ISZSIDHHSA-N 1 3 336.480 0.670 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C\CN(C)C)C[C@H](C)N1C(=O)/C=C/C[NH+](C)C ZINC000493700942 438643455 /nfs/dbraw/zinc/64/34/55/438643455.db2.gz YQQTWDWLNBRYTL-ISZSIDHHSA-N 1 3 336.480 0.670 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000423171561 438645100 /nfs/dbraw/zinc/64/51/00/438645100.db2.gz OYCDOGGXIMYGBC-AWEZNQCLSA-N 1 3 336.436 0.299 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000410806609 438660829 /nfs/dbraw/zinc/66/08/29/438660829.db2.gz FIUUOTOUFRVTSF-SFHVURJKSA-N 1 3 338.496 0.731 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410943592 438667400 /nfs/dbraw/zinc/66/74/00/438667400.db2.gz ITIBFUOIYICQPE-PMPSAXMXSA-N 1 3 336.480 0.624 20 0 ECADHO COC[C@@]1(C(=O)NCCc2ccc(OCCN(C)C)cc2)CC[NH2+]C1 ZINC000423377107 438668296 /nfs/dbraw/zinc/66/82/96/438668296.db2.gz JRDBEDFUQYBUBW-LJQANCHMSA-N 1 3 349.475 0.912 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423379750 438670276 /nfs/dbraw/zinc/67/02/76/438670276.db2.gz NDGSOWVFMYKUCN-GOEBONIOSA-N 1 3 326.485 0.618 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC[C@H]2CCC[NH2+]2)cn1 ZINC000494668791 438702769 /nfs/dbraw/zinc/70/27/69/438702769.db2.gz MXGHKFVFFHBTIV-CYBMUJFWSA-N 1 3 336.440 0.032 20 0 ECADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)CC(C)(C)CN1CCOCC1 ZINC000414708004 438715943 /nfs/dbraw/zinc/71/59/43/438715943.db2.gz OJKYVMZSSRUFSR-MRXNPFEDSA-N 1 3 340.512 0.474 20 0 ECADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)CC(C)(C)CN1CCOCC1 ZINC000414708004 438715944 /nfs/dbraw/zinc/71/59/44/438715944.db2.gz OJKYVMZSSRUFSR-MRXNPFEDSA-N 1 3 340.512 0.474 20 0 ECADHO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)C(=O)NCCN1CCCCC1 ZINC000574873914 438724403 /nfs/dbraw/zinc/72/44/03/438724403.db2.gz GCIQYJRNXQZZKG-WBVHZDCISA-N 1 3 346.475 0.836 20 0 ECADHO COc1ccc2c(c1)OC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C2 ZINC000415102146 438730201 /nfs/dbraw/zinc/73/02/01/438730201.db2.gz JLRHQKMTVBJZCY-UKRRQHHQSA-N 1 3 333.432 0.786 20 0 ECADHO CN1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000557196364 438795433 /nfs/dbraw/zinc/79/54/33/438795433.db2.gz HMMDWXLPFWZZQF-ZWKOTPCHSA-N 1 3 345.491 0.935 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000576146539 438769902 /nfs/dbraw/zinc/76/99/02/438769902.db2.gz MPHASQKPTDBRST-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO [NH3+]C[C@H]1CN(CCc2nnnn2-c2ccccc2)CC12CCOCC2 ZINC000576346000 438778886 /nfs/dbraw/zinc/77/88/86/438778886.db2.gz CJHWZXXIVHTYEZ-HNNXBMFYSA-N 1 3 342.447 0.892 20 0 ECADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000576412529 438782701 /nfs/dbraw/zinc/78/27/01/438782701.db2.gz XFTPTXHHIJBYNW-QZTJIDSGSA-N 1 3 346.475 0.933 20 0 ECADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000576412529 438782702 /nfs/dbraw/zinc/78/27/02/438782702.db2.gz XFTPTXHHIJBYNW-QZTJIDSGSA-N 1 3 346.475 0.933 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000514675790 438824740 /nfs/dbraw/zinc/82/47/40/438824740.db2.gz KEDMZBBWTZKIDT-HNNXBMFYSA-N 1 3 346.479 0.493 20 0 ECADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000514675790 438824742 /nfs/dbraw/zinc/82/47/42/438824742.db2.gz KEDMZBBWTZKIDT-HNNXBMFYSA-N 1 3 346.479 0.493 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000577530681 438850644 /nfs/dbraw/zinc/85/06/44/438850644.db2.gz PUXYPDFJABAOFW-RBSFLKMASA-N 1 3 337.468 0.060 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000577530681 438850648 /nfs/dbraw/zinc/85/06/48/438850648.db2.gz PUXYPDFJABAOFW-RBSFLKMASA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000578175190 438903356 /nfs/dbraw/zinc/90/33/56/438903356.db2.gz NLESQWIPFGAWFC-CRAIPNDOSA-N 1 3 336.480 0.437 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000578225925 438908580 /nfs/dbraw/zinc/90/85/80/438908580.db2.gz PFZHGVJFRSFQMF-INIZCTEOSA-N 1 3 349.479 0.411 20 0 ECADHO COC(=O)c1cn(C2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)nn1 ZINC000595892046 438879819 /nfs/dbraw/zinc/87/98/19/438879819.db2.gz KAQKKACCCWCNRM-ZDUSSCGKSA-N 1 3 335.408 0.223 20 0 ECADHO O=C(CC[NH2+]C1(CO)CCNCC1)NC(=O)NCc1ccccc1 ZINC000595897143 438880982 /nfs/dbraw/zinc/88/09/82/438880982.db2.gz QHFLLUINFXLHKG-UHFFFAOYSA-N 1 3 334.420 0.107 20 0 ECADHO CN1CCN(CCCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000564910601 438887024 /nfs/dbraw/zinc/88/70/24/438887024.db2.gz GUFZLAJKECOQSO-AWEZNQCLSA-N 1 3 334.468 0.244 20 0 ECADHO CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)[C@H](C[NH3+])C1 ZINC000578504566 438928903 /nfs/dbraw/zinc/92/89/03/438928903.db2.gz IBZQCTGJBZMGGU-IAGOWNOFSA-N 1 3 331.464 0.395 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N(C)CCC[NH3+])c1 ZINC000565314969 438942269 /nfs/dbraw/zinc/94/22/69/438942269.db2.gz ONLFPDKHFGNIGE-UHFFFAOYSA-N 1 3 336.436 0.050 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC[C@H](O)CN2CCOCC2)c1 ZINC000565593492 438963982 /nfs/dbraw/zinc/96/39/82/438963982.db2.gz HLBHFXPALBXGJC-KRWDZBQOSA-N 1 3 337.464 0.410 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000565595903 438964433 /nfs/dbraw/zinc/96/44/33/438964433.db2.gz GGUBRSWIPAMKTN-KRWDZBQOSA-N 1 3 331.464 0.315 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1=O ZINC000579112270 438981651 /nfs/dbraw/zinc/98/16/51/438981651.db2.gz AXIZQIONBAKQCK-RDJZCZTQSA-N 1 3 344.459 0.481 20 0 ECADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1-n1cnnn1 ZINC000591285577 438994972 /nfs/dbraw/zinc/99/49/72/438994972.db2.gz FFKFKSMZGFYBGC-UHFFFAOYSA-N 1 3 345.451 0.536 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000518464283 438999870 /nfs/dbraw/zinc/99/98/70/438999870.db2.gz FFJRZBLZAZDBLC-SFHVURJKSA-N 1 3 337.512 0.751 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000518464283 438999874 /nfs/dbraw/zinc/99/98/74/438999874.db2.gz FFJRZBLZAZDBLC-SFHVURJKSA-N 1 3 337.512 0.751 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000518540238 439004366 /nfs/dbraw/zinc/00/43/66/439004366.db2.gz CTRZSSHYMGVJBA-FHERZECASA-N 1 3 326.485 0.415 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000566108986 439008172 /nfs/dbraw/zinc/00/81/72/439008172.db2.gz HXQJMKPYVMHWNO-KZNAEPCWSA-N 1 3 340.556 0.941 20 0 ECADHO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000566108986 439008177 /nfs/dbraw/zinc/00/81/77/439008177.db2.gz HXQJMKPYVMHWNO-KZNAEPCWSA-N 1 3 340.556 0.941 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000519608912 439046158 /nfs/dbraw/zinc/04/61/58/439046158.db2.gz PJHYYKSKVYCRLE-XJKSGUPXSA-N 1 3 332.448 0.528 20 0 ECADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CCC(CC[NH+](C)C)CC3)C[C@H]21 ZINC000460033413 439061841 /nfs/dbraw/zinc/06/18/41/439061841.db2.gz CWTNUHRIPYQCPG-JKSUJKDBSA-N 1 3 336.480 0.339 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](N3CCN(CC)CC3)C2)C1 ZINC000596881172 439012152 /nfs/dbraw/zinc/01/21/52/439012152.db2.gz JSJVCBOYLKKMOM-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H](N3CCN(CC)CC3)C2)C1 ZINC000596881172 439012158 /nfs/dbraw/zinc/01/21/58/439012158.db2.gz JSJVCBOYLKKMOM-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000566213039 439027150 /nfs/dbraw/zinc/02/71/50/439027150.db2.gz IUAUHXYBZPRTQN-UXLLHSPISA-N 1 3 325.453 0.500 20 0 ECADHO CCN1CCC(NC(=O)CN2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000566304446 439038909 /nfs/dbraw/zinc/03/89/09/439038909.db2.gz ZHBCBTJCPGXTOC-HNNXBMFYSA-N 1 3 338.496 0.274 20 0 ECADHO CN(C)CCOCCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000471637717 439087669 /nfs/dbraw/zinc/08/76/69/439087669.db2.gz YXBQOWYUNYGIRD-MRXNPFEDSA-N 1 3 326.485 0.938 20 0 ECADHO CN(C)CCOCCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000471637717 439087676 /nfs/dbraw/zinc/08/76/76/439087676.db2.gz YXBQOWYUNYGIRD-MRXNPFEDSA-N 1 3 326.485 0.938 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566963924 439101756 /nfs/dbraw/zinc/10/17/56/439101756.db2.gz YEWKQWAYORPHPU-DNVCBOLYSA-N 1 3 348.491 0.722 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)C[C@@H]21 ZINC000460038301 439064639 /nfs/dbraw/zinc/06/46/39/439064639.db2.gz VTDHNEUEHCZLKH-ZACQAIPSSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000460078290 439076889 /nfs/dbraw/zinc/07/68/89/439076889.db2.gz RICDJBUIRNJNQL-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000460078290 439076890 /nfs/dbraw/zinc/07/68/90/439076890.db2.gz RICDJBUIRNJNQL-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CC2(C[NH3+])CC2)cc1 ZINC000580712722 439121889 /nfs/dbraw/zinc/12/18/89/439121889.db2.gz HCFGRHMUWBNQNB-UHFFFAOYSA-N 1 3 332.448 0.723 20 0 ECADHO O=C(NCCCNCc1cccnc1)C1(n2cccn2)CC[NH2+]CC1 ZINC000580834264 439137854 /nfs/dbraw/zinc/13/78/54/439137854.db2.gz NBSOLJPTLDXPSU-UHFFFAOYSA-N 1 3 342.447 0.653 20 0 ECADHO COC(=O)Cn1cc(CCN2CCCN(c3cc[nH+]cc3)CC2)nn1 ZINC000602844772 439142301 /nfs/dbraw/zinc/14/23/01/439142301.db2.gz FSJOUGLZWAPACN-UHFFFAOYSA-N 1 3 344.419 0.601 20 0 ECADHO Cc1ccncc1CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000567465977 439145171 /nfs/dbraw/zinc/14/51/71/439145171.db2.gz HTFXRYBHEVVJKJ-UHFFFAOYSA-N 1 3 349.479 0.300 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000581651082 439238383 /nfs/dbraw/zinc/23/83/83/439238383.db2.gz DWUDPGUJEUZWGZ-ZIFCJYIRSA-N 1 3 329.444 0.786 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000581651082 439238387 /nfs/dbraw/zinc/23/83/87/439238387.db2.gz DWUDPGUJEUZWGZ-ZIFCJYIRSA-N 1 3 329.444 0.786 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492988 439240718 /nfs/dbraw/zinc/24/07/18/439240718.db2.gz LBVCCGKWSHOHAY-RRFJBIMHSA-N 1 3 340.468 0.559 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CN1Cc1ccccc1 ZINC000568372824 439242318 /nfs/dbraw/zinc/24/23/18/439242318.db2.gz UIJWPNKQQREYIX-NJAFHUGGSA-N 1 3 345.491 0.852 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568738319 439272864 /nfs/dbraw/zinc/27/28/64/439272864.db2.gz YPSNXOOMCNSIKF-QAPCUYQASA-N 1 3 336.480 0.579 20 0 ECADHO CN1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000582290827 439314020 /nfs/dbraw/zinc/31/40/20/439314020.db2.gz MDHDFLWKRLIIJY-ZWKOTPCHSA-N 1 3 345.491 0.793 20 0 ECADHO CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000582290827 439314024 /nfs/dbraw/zinc/31/40/24/439314024.db2.gz MDHDFLWKRLIIJY-ZWKOTPCHSA-N 1 3 345.491 0.793 20 0 ECADHO C[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)CN1CCN(C)CC1 ZINC000592960664 439322519 /nfs/dbraw/zinc/32/25/19/439322519.db2.gz BOJYZHXWLFLTPC-CABCVRRESA-N 1 3 348.495 0.333 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)C2)C1 ZINC000582348100 439322755 /nfs/dbraw/zinc/32/27/55/439322755.db2.gz IAQDOKVTPXOJFH-LJQANCHMSA-N 1 3 342.443 0.825 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)C2)C1 ZINC000582348100 439322758 /nfs/dbraw/zinc/32/27/58/439322758.db2.gz IAQDOKVTPXOJFH-LJQANCHMSA-N 1 3 342.443 0.825 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592960661 439322846 /nfs/dbraw/zinc/32/28/46/439322846.db2.gz BNOKDZSUBBYFKN-GJZGRUSLSA-N 1 3 348.495 0.475 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592960662 439323558 /nfs/dbraw/zinc/32/35/58/439323558.db2.gz BNOKDZSUBBYFKN-HUUCEWRRSA-N 1 3 348.495 0.475 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000604634196 439323722 /nfs/dbraw/zinc/32/37/22/439323722.db2.gz IFCFOFUXWXENGB-KRWDZBQOSA-N 1 3 337.512 0.894 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000592964444 439324067 /nfs/dbraw/zinc/32/40/67/439324067.db2.gz GPMYGJBYEMPORJ-LSDHHAIUSA-N 1 3 344.450 0.858 20 0 ECADHO CC1(C)NC(=O)N(CCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000569605830 439348375 /nfs/dbraw/zinc/34/83/75/439348375.db2.gz WJXWIQXRBMQALI-CYBMUJFWSA-N 1 3 338.452 0.394 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CC(=O)NC)CC2)CC1 ZINC000582557524 439351797 /nfs/dbraw/zinc/35/17/97/439351797.db2.gz YOVSPWCKKKVKCC-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000569710242 439356858 /nfs/dbraw/zinc/35/68/58/439356858.db2.gz DZWLPDKXQBOLHF-HZPDHXFCSA-N 1 3 338.496 0.810 20 0 ECADHO CCOC(=O)C[C@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000599305188 439426313 /nfs/dbraw/zinc/42/63/13/439426313.db2.gz VNRUAKQGTPKFGM-HNNXBMFYSA-N 1 3 328.453 0.877 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000607419941 439453519 /nfs/dbraw/zinc/45/35/19/439453519.db2.gz DOVJPSQTVBDBNP-RRFJBIMHSA-N 1 3 326.485 0.935 20 0 ECADHO CCOC(=O)C[C@H](O)CN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000599439895 439467170 /nfs/dbraw/zinc/46/71/70/439467170.db2.gz ANKGULQNHWRLKW-KRWDZBQOSA-N 1 3 341.496 0.793 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000571284748 439488785 /nfs/dbraw/zinc/48/87/85/439488785.db2.gz OCPHINZRCCJBAH-HNNXBMFYSA-N 1 3 332.448 0.675 20 0 ECADHO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736077 439456795 /nfs/dbraw/zinc/45/67/95/439456795.db2.gz FKZBCTWKQNXXMB-UKTARXLSSA-N 1 3 338.452 0.581 20 0 ECADHO CC(C)NC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736172 439457157 /nfs/dbraw/zinc/45/71/57/439457157.db2.gz IQARLSNDPWKUFM-BYNSBNAKSA-N 1 3 340.468 0.827 20 0 ECADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN2CCC1CC2 ZINC000571789170 439531901 /nfs/dbraw/zinc/53/19/01/439531901.db2.gz JQMANVNDJCVCGD-IAGOWNOFSA-N 1 3 336.480 0.854 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000584052291 439543286 /nfs/dbraw/zinc/54/32/86/439543286.db2.gz AYHQZJVQUHBIJC-KFWWJZLASA-N 1 3 337.395 0.749 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000583820269 439515935 /nfs/dbraw/zinc/51/59/35/439515935.db2.gz VYTACBDWNUTDGZ-HUUCEWRRSA-N 1 3 332.452 0.327 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000584580680 439601656 /nfs/dbraw/zinc/60/16/56/439601656.db2.gz ZAYXCRVJJNQXPG-UHFFFAOYSA-N 1 3 339.484 0.324 20 0 ECADHO CCOC(=O)CC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573479511 439648082 /nfs/dbraw/zinc/64/80/82/439648082.db2.gz YOWUNXRTFFSWRN-HRCADAONSA-N 1 3 328.453 0.658 20 0 ECADHO C[C@H]1CC[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000573000366 439624072 /nfs/dbraw/zinc/62/40/72/439624072.db2.gz URRCFPHOVQQDPY-GJZGRUSLSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@@H]1CC[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000573000365 439624129 /nfs/dbraw/zinc/62/41/29/439624129.db2.gz URRCFPHOVQQDPY-CABCVRRESA-N 1 3 326.485 0.491 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(C2CCOCC2)nn1 ZINC000574125541 439685238 /nfs/dbraw/zinc/68/52/38/439685238.db2.gz XVCQBHVRXAWOQJ-UHFFFAOYSA-N 1 3 338.456 0.195 20 0 ECADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000613956744 439766697 /nfs/dbraw/zinc/76/66/97/439766697.db2.gz NODHKABACSRZFQ-GEEKYZPCSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000613956744 439766698 /nfs/dbraw/zinc/76/66/98/439766698.db2.gz NODHKABACSRZFQ-GEEKYZPCSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC000613956744 439766699 /nfs/dbraw/zinc/76/66/99/439766699.db2.gz NODHKABACSRZFQ-GEEKYZPCSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC000613956744 439766700 /nfs/dbraw/zinc/76/67/00/439766700.db2.gz NODHKABACSRZFQ-GEEKYZPCSA-N 1 3 338.496 0.679 20 0 ECADHO [NH3+]CCCNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612914361 439745487 /nfs/dbraw/zinc/74/54/87/439745487.db2.gz KOHSGMCYXSKFOY-CYBMUJFWSA-N 1 3 335.456 0.057 20 0 ECADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614845628 439788616 /nfs/dbraw/zinc/78/86/16/439788616.db2.gz CYZMYGUWGUUPMO-MSOLQXFVSA-N 1 3 333.476 0.980 20 0 ECADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614845628 439788617 /nfs/dbraw/zinc/78/86/17/439788617.db2.gz CYZMYGUWGUUPMO-MSOLQXFVSA-N 1 3 333.476 0.980 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)n1 ZINC000662747776 439869817 /nfs/dbraw/zinc/86/98/17/439869817.db2.gz BBJLKYQWQOZDCN-CYBMUJFWSA-N 1 3 341.415 0.950 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)n1 ZINC000662750857 439870222 /nfs/dbraw/zinc/87/02/22/439870222.db2.gz UUPFXFVIAQILCL-QGZVFWFLSA-N 1 3 327.388 0.188 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)CC[N@@H+]1C ZINC000652460980 439858646 /nfs/dbraw/zinc/85/86/46/439858646.db2.gz LDKNABXIDAGNGL-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)CC[N@H+]1C ZINC000652460980 439858655 /nfs/dbraw/zinc/85/86/55/439858655.db2.gz LDKNABXIDAGNGL-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000652704000 439932250 /nfs/dbraw/zinc/93/22/50/439932250.db2.gz DEEASZCWZIYADS-BZUAXINKSA-N 1 3 336.480 0.435 20 0 ECADHO Cc1sc(=O)n(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000617504925 439898771 /nfs/dbraw/zinc/89/87/71/439898771.db2.gz PNFLLCPCRFNQHA-LBPRGKRZSA-N 1 3 342.509 0.915 20 0 ECADHO Cc1sc(=O)n(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000617504925 439898777 /nfs/dbraw/zinc/89/87/77/439898777.db2.gz PNFLLCPCRFNQHA-LBPRGKRZSA-N 1 3 342.509 0.915 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000652676100 439911831 /nfs/dbraw/zinc/91/18/31/439911831.db2.gz OSNNQKPJYSPFFU-UHFFFAOYSA-N 1 3 344.459 0.765 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858393 439914823 /nfs/dbraw/zinc/91/48/23/439914823.db2.gz GULPNKMHFXNMAJ-ZACQAIPSSA-N 1 3 333.432 0.233 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662857739 439917326 /nfs/dbraw/zinc/91/73/26/439917326.db2.gz BJJHANNEJHQBQL-SJORKVTESA-N 1 3 332.448 0.774 20 0 ECADHO COC1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC[NH2+]CC1 ZINC000662857925 439917572 /nfs/dbraw/zinc/91/75/72/439917572.db2.gz CZATUFPYHIQMRA-QGZVFWFLSA-N 1 3 347.459 0.638 20 0 ECADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCN1CC[C@H](O)C1 ZINC000636619137 439965716 /nfs/dbraw/zinc/96/57/16/439965716.db2.gz VYGIEGVAXOPNAP-SJORKVTESA-N 1 3 334.464 0.525 20 0 ECADHO C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631912335 439973458 /nfs/dbraw/zinc/97/34/58/439973458.db2.gz HNKFTGPHWXCIFM-GASCZTMLSA-N 1 3 346.541 0.873 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000642344741 439975696 /nfs/dbraw/zinc/97/56/96/439975696.db2.gz AWACZKDAPXBGRS-CYBMUJFWSA-N 1 3 342.509 0.318 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000626986319 439981112 /nfs/dbraw/zinc/98/11/12/439981112.db2.gz FYPFQXTVPAQGGC-OAHLLOKOSA-N 1 3 341.500 0.067 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000636663811 439983241 /nfs/dbraw/zinc/98/32/41/439983241.db2.gz XZJHDNZYRLTGJR-AWEZNQCLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)C[NH2+]1 ZINC000626888916 439940604 /nfs/dbraw/zinc/94/06/04/439940604.db2.gz ZPUPUGSGRBDZMQ-DZGCQCFKSA-N 1 3 348.447 0.822 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@H]1[NH3+] ZINC000642084390 439946815 /nfs/dbraw/zinc/94/68/15/439946815.db2.gz QUQPSOZIWZQJBZ-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]([NH2+]C1(CNC(=O)C(=O)NC2CNC2)CCCC1)c1ccccc1 ZINC000642178878 439954415 /nfs/dbraw/zinc/95/44/15/439954415.db2.gz BZTQTVHQVXIVIQ-CQSZACIVSA-N 1 3 344.459 0.854 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626936248 439964821 /nfs/dbraw/zinc/96/48/21/439964821.db2.gz FSCPUFFKMCORCX-HOTGVXAUSA-N 1 3 325.501 0.844 20 0 ECADHO O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014369 439989160 /nfs/dbraw/zinc/98/91/60/439989160.db2.gz LMTFKJUDROUDIF-GJZGRUSLSA-N 1 3 346.479 0.667 20 0 ECADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1CC[NH2+]C1 ZINC000627019738 439991552 /nfs/dbraw/zinc/99/15/52/439991552.db2.gz NEDHPWWLQCQGBN-IAGOWNOFSA-N 1 3 332.448 0.939 20 0 ECADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663020562 439993303 /nfs/dbraw/zinc/99/33/03/439993303.db2.gz YIWGUFMCIQQVJG-KEYYUXOJSA-N 1 3 348.495 0.899 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000642785866 440038311 /nfs/dbraw/zinc/03/83/11/440038311.db2.gz OOIWUTAHAMXYPB-KRWDZBQOSA-N 1 3 348.491 0.578 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000642780525 440033398 /nfs/dbraw/zinc/03/33/98/440033398.db2.gz WMTNDBZGWMXNOR-MRXNPFEDSA-N 1 3 332.448 0.623 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631926338 439987649 /nfs/dbraw/zinc/98/76/49/439987649.db2.gz UXLICPVDCOLXMP-RBSFLKMASA-N 1 3 346.541 0.871 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)C(=O)NCCN(C)C ZINC000627241875 440063788 /nfs/dbraw/zinc/06/37/88/440063788.db2.gz MMONFZWQQURWGT-MJBXVCDLSA-N 1 3 327.473 0.129 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000642973900 440072712 /nfs/dbraw/zinc/07/27/12/440072712.db2.gz SJOROFWQXAFJSX-VKJFTORMSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000643015068 440082511 /nfs/dbraw/zinc/08/25/11/440082511.db2.gz AMVLWSGKFLECFD-MZBWOGCUSA-N 1 3 348.491 0.576 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCN2CCOCC2)CC2CC2)C1 ZINC000663499537 440086137 /nfs/dbraw/zinc/08/61/37/440086137.db2.gz CLBGSNLJSKKDFR-KRWDZBQOSA-N 1 3 338.496 0.228 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCN2CCOCC2)CC2CC2)C1 ZINC000663499537 440086141 /nfs/dbraw/zinc/08/61/41/440086141.db2.gz CLBGSNLJSKKDFR-KRWDZBQOSA-N 1 3 338.496 0.228 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642901191 440053168 /nfs/dbraw/zinc/05/31/68/440053168.db2.gz AOEJHSNAMFVMRO-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO C[N@@H+]1CC[C@H](NC(=O)NCCN2CC[C@H](O)C2)[C@H]1c1ccccc1 ZINC000636984907 440119621 /nfs/dbraw/zinc/11/96/21/440119621.db2.gz MLPMXCRMBVVJRB-YESZJQIVSA-N 1 3 332.448 0.798 20 0 ECADHO C[N@H+]1CC[C@H](NC(=O)NCCN2CC[C@H](O)C2)[C@H]1c1ccccc1 ZINC000636984907 440119625 /nfs/dbraw/zinc/11/96/25/440119625.db2.gz MLPMXCRMBVVJRB-YESZJQIVSA-N 1 3 332.448 0.798 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)C(=O)NCCN(C)C ZINC000637000999 440124706 /nfs/dbraw/zinc/12/47/06/440124706.db2.gz DYYSLGORZFSCQD-GJZGRUSLSA-N 1 3 341.500 0.520 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000627345911 440140390 /nfs/dbraw/zinc/14/03/90/440140390.db2.gz ZGXIGFLMYGGDHI-UHFFFAOYSA-N 1 3 334.464 0.952 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc(C(N)=O)c1 ZINC000663644911 440140493 /nfs/dbraw/zinc/14/04/93/440140493.db2.gz VTVMRTWMWGBZEI-AWEZNQCLSA-N 1 3 349.479 0.857 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc(C(N)=O)c1 ZINC000663644911 440140500 /nfs/dbraw/zinc/14/05/00/440140500.db2.gz VTVMRTWMWGBZEI-AWEZNQCLSA-N 1 3 349.479 0.857 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000653376872 440141321 /nfs/dbraw/zinc/14/13/21/440141321.db2.gz LSJFMJILRBDZSE-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000653376872 440141323 /nfs/dbraw/zinc/14/13/23/440141323.db2.gz LSJFMJILRBDZSE-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653379342 440143174 /nfs/dbraw/zinc/14/31/74/440143174.db2.gz PBWKYGKTZZRYKK-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC)CCN)[C@H](C)C1 ZINC000627313384 440114876 /nfs/dbraw/zinc/11/48/76/440114876.db2.gz CWRQQKKTLPGOTM-HUUCEWRRSA-N 1 3 342.484 0.047 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC)CCN)[C@H](C)C1 ZINC000627313384 440114881 /nfs/dbraw/zinc/11/48/81/440114881.db2.gz CWRQQKKTLPGOTM-HUUCEWRRSA-N 1 3 342.484 0.047 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000627380915 440167336 /nfs/dbraw/zinc/16/73/36/440167336.db2.gz CPMFEGRPQFLRPN-XJKSGUPXSA-N 1 3 345.447 0.281 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000627377275 440164353 /nfs/dbraw/zinc/16/43/53/440164353.db2.gz DONXUBGEOIOBRH-MRXNPFEDSA-N 1 3 344.459 0.765 20 0 ECADHO NC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000643591075 440215560 /nfs/dbraw/zinc/21/55/60/440215560.db2.gz DCOGSHWLSFJHPM-BPUTZDHNSA-N 1 3 334.464 0.411 20 0 ECADHO NC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000643591075 440215563 /nfs/dbraw/zinc/21/55/63/440215563.db2.gz DCOGSHWLSFJHPM-BPUTZDHNSA-N 1 3 334.464 0.411 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659072545 440225736 /nfs/dbraw/zinc/22/57/36/440225736.db2.gz HDUPYGLEXCASAL-MRXNPFEDSA-N 1 3 348.447 0.696 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC000627478502 440230730 /nfs/dbraw/zinc/23/07/30/440230730.db2.gz NUPZLHBPKXVDDC-QXSJWSMHSA-N 1 3 336.480 0.717 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000659018281 440204452 /nfs/dbraw/zinc/20/44/52/440204452.db2.gz OPFZGKFEUUGISO-UHFFFAOYSA-N 1 3 347.463 0.816 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N1CCC[C@@H](C)C1 ZINC000627440230 440206753 /nfs/dbraw/zinc/20/67/53/440206753.db2.gz GJRCFEGHQUNRDM-KFWWJZLASA-N 1 3 336.480 0.624 20 0 ECADHO NC1(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)Cc2ccccc2C1 ZINC000648147480 440244771 /nfs/dbraw/zinc/24/47/71/440244771.db2.gz FJIHBDBTGJCBNT-INIZCTEOSA-N 1 3 329.444 0.697 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000648177132 440253758 /nfs/dbraw/zinc/25/37/58/440253758.db2.gz KAOKPCFUGQWLQF-ZDUSSCGKSA-N 1 3 339.465 0.648 20 0 ECADHO C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)C1=CCN(C)CC1 ZINC000664631642 440346209 /nfs/dbraw/zinc/34/62/09/440346209.db2.gz ZCXABCJDURWQJL-HNNXBMFYSA-N 1 3 325.501 0.820 20 0 ECADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659603994 440370222 /nfs/dbraw/zinc/37/02/22/440370222.db2.gz FBNIMLOMFGGSOF-LBPRGKRZSA-N 1 3 336.440 0.561 20 0 ECADHO CN(CC(C)(C)[NH3+])C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000659445909 440328027 /nfs/dbraw/zinc/32/80/27/440328027.db2.gz ZCMPEGIVFWZCOX-UHFFFAOYSA-N 1 3 348.495 0.972 20 0 ECADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCCN3CC[C@H](O)C3)C2)cc1 ZINC000637716584 440328319 /nfs/dbraw/zinc/32/83/19/440328319.db2.gz JTLGDTCSHQCPFB-ROUUACIJSA-N 1 3 346.475 0.935 20 0 ECADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCCN3CC[C@H](O)C3)C2)cc1 ZINC000637716584 440328328 /nfs/dbraw/zinc/32/83/28/440328328.db2.gz JTLGDTCSHQCPFB-ROUUACIJSA-N 1 3 346.475 0.935 20 0 ECADHO CN1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@H]1c1ccccc1 ZINC000664541714 440330061 /nfs/dbraw/zinc/33/00/61/440330061.db2.gz SBWJZVKIUWFGNU-LTIDMASMSA-N 1 3 332.448 0.748 20 0 ECADHO CC(C)[NH+](CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)C ZINC000659463972 440333629 /nfs/dbraw/zinc/33/36/29/440333629.db2.gz MVPASDQEIJRFTA-UHFFFAOYSA-N 1 3 338.456 0.949 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000633039816 440417310 /nfs/dbraw/zinc/41/73/10/440417310.db2.gz UPNDGACOARUXNZ-YPMHNXCESA-N 1 3 334.420 0.643 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000659683726 440418745 /nfs/dbraw/zinc/41/87/45/440418745.db2.gz AXKMZHWJHXQLEO-HNNXBMFYSA-N 1 3 336.480 0.435 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000659629520 440382632 /nfs/dbraw/zinc/38/26/32/440382632.db2.gz WBTKAWOEQAIJAQ-CYBMUJFWSA-N 1 3 334.424 0.315 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000649072816 440385404 /nfs/dbraw/zinc/38/54/04/440385404.db2.gz JHVBJOFBVXXENJ-ZBFHGGJFSA-N 1 3 336.480 0.972 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000649072816 440385412 /nfs/dbraw/zinc/38/54/12/440385412.db2.gz JHVBJOFBVXXENJ-ZBFHGGJFSA-N 1 3 336.480 0.972 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632504 440386816 /nfs/dbraw/zinc/38/68/16/440386816.db2.gz ZFRVPXHRLAYEOM-ZDUSSCGKSA-N 1 3 336.440 0.657 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632504 440386819 /nfs/dbraw/zinc/38/68/19/440386819.db2.gz ZFRVPXHRLAYEOM-ZDUSSCGKSA-N 1 3 336.440 0.657 20 0 ECADHO CC(C)c1nc(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n[nH]1 ZINC000664990083 440399756 /nfs/dbraw/zinc/39/97/56/440399756.db2.gz IRQUTCIRKFGRQU-ZDUSSCGKSA-N 1 3 339.488 0.999 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659673874 440409029 /nfs/dbraw/zinc/40/90/29/440409029.db2.gz IVEWSLCLRDELFQ-KOHRHEQBSA-N 1 3 344.459 0.225 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638141848 440464977 /nfs/dbraw/zinc/46/49/77/440464977.db2.gz ILJFBFYOXWNDGT-IRXDYDNUSA-N 1 3 341.496 0.962 20 0 ECADHO COC[C@@]1(C(=O)NCC(C)(C)N2CCC(OC)CC2)CCC[NH2+]1 ZINC000649328248 440465825 /nfs/dbraw/zinc/46/58/25/440465825.db2.gz ILGAFETXYSPVDX-QGZVFWFLSA-N 1 3 327.469 0.761 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCN(CC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000644197741 440471083 /nfs/dbraw/zinc/47/10/83/440471083.db2.gz YNICFBQNHWUKGH-OWCLPIDISA-N 1 3 332.452 0.341 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644225686 440479489 /nfs/dbraw/zinc/47/94/89/440479489.db2.gz JGLVNCFFTYOVPE-VNQPRFMTSA-N 1 3 330.432 0.183 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000659702981 440435975 /nfs/dbraw/zinc/43/59/75/440435975.db2.gz YJJLJTOFNWRRJP-DOMZBBRYSA-N 1 3 330.498 0.030 20 0 ECADHO [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000633091806 440438102 /nfs/dbraw/zinc/43/81/02/440438102.db2.gz YCAMWUOXWPVABK-HOTGVXAUSA-N 1 3 336.480 0.803 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000659709327 440444217 /nfs/dbraw/zinc/44/42/17/440444217.db2.gz HKYGWIAZIGVLGN-INIZCTEOSA-N 1 3 347.463 0.278 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659717013 440452135 /nfs/dbraw/zinc/45/21/35/440452135.db2.gz DFQURZKAQXAEBT-XQQFMLRXSA-N 1 3 340.468 0.205 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659717013 440452140 /nfs/dbraw/zinc/45/21/40/440452140.db2.gz DFQURZKAQXAEBT-XQQFMLRXSA-N 1 3 340.468 0.205 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638136185 440457279 /nfs/dbraw/zinc/45/72/79/440457279.db2.gz YVYKORTXWSKVBE-QGZVFWFLSA-N 1 3 327.469 0.748 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N(CC)CC ZINC000649364514 440488747 /nfs/dbraw/zinc/48/87/47/440488747.db2.gz YZDRWGPWJVNBAG-INMHGKMJSA-N 1 3 338.496 0.870 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000659755766 440492545 /nfs/dbraw/zinc/49/25/45/440492545.db2.gz ZVHVMRTYIDGWIL-OAHLLOKOSA-N 1 3 334.464 0.609 20 0 ECADHO CN1CCN(C(C)(C)C[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638349498 440517258 /nfs/dbraw/zinc/51/72/58/440517258.db2.gz NWKRJEFDOARDNE-UHFFFAOYSA-N 1 3 326.529 0.837 20 0 ECADHO CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665757381 440523465 /nfs/dbraw/zinc/52/34/65/440523465.db2.gz IAFLVAITJJRAKZ-LSDHHAIUSA-N 1 3 341.500 0.426 20 0 ECADHO CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665757381 440523470 /nfs/dbraw/zinc/52/34/70/440523470.db2.gz IAFLVAITJJRAKZ-LSDHHAIUSA-N 1 3 341.500 0.426 20 0 ECADHO CO[C@]1(CO)CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763422 440523586 /nfs/dbraw/zinc/52/35/86/440523586.db2.gz AFCGLNOKHZIQRX-DOTOQJQBSA-N 1 3 344.500 0.441 20 0 ECADHO CO[C@]1(CO)CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763422 440523590 /nfs/dbraw/zinc/52/35/90/440523590.db2.gz AFCGLNOKHZIQRX-DOTOQJQBSA-N 1 3 344.500 0.441 20 0 ECADHO COC1(CO)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665762604 440525360 /nfs/dbraw/zinc/52/53/60/440525360.db2.gz JXWACLCITVABCK-HNNXBMFYSA-N 1 3 344.500 0.441 20 0 ECADHO COC1(CO)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665762604 440525362 /nfs/dbraw/zinc/52/53/62/440525362.db2.gz JXWACLCITVABCK-HNNXBMFYSA-N 1 3 344.500 0.441 20 0 ECADHO COC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665758850 440526271 /nfs/dbraw/zinc/52/62/71/440526271.db2.gz RGQCXQNCEIYZHH-GJZGRUSLSA-N 1 3 330.473 0.315 20 0 ECADHO COC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665758850 440526273 /nfs/dbraw/zinc/52/62/73/440526273.db2.gz RGQCXQNCEIYZHH-GJZGRUSLSA-N 1 3 330.473 0.315 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000665760537 440526716 /nfs/dbraw/zinc/52/67/16/440526716.db2.gz JSAQCQSTDASADW-DOTOQJQBSA-N 1 3 342.484 0.459 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000665760537 440526722 /nfs/dbraw/zinc/52/67/22/440526722.db2.gz JSAQCQSTDASADW-DOTOQJQBSA-N 1 3 342.484 0.459 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@@H](CO)C1 ZINC000665763923 440529184 /nfs/dbraw/zinc/52/91/84/440529184.db2.gz PCNGMYFEDXSMQG-OWCLPIDISA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@@H](CO)C1 ZINC000665763923 440529187 /nfs/dbraw/zinc/52/91/87/440529187.db2.gz PCNGMYFEDXSMQG-OWCLPIDISA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)c1ccnn1C ZINC000665764179 440529625 /nfs/dbraw/zinc/52/96/25/440529625.db2.gz XHFLKFHCTYCUPD-UONOGXRCSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)c1ccnn1C ZINC000665764179 440529632 /nfs/dbraw/zinc/52/96/32/440529632.db2.gz XHFLKFHCTYCUPD-UONOGXRCSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000659742406 440481028 /nfs/dbraw/zinc/48/10/28/440481028.db2.gz SUBMAYKXLBYNEH-HRCADAONSA-N 1 3 338.496 0.809 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000649350131 440481347 /nfs/dbraw/zinc/48/13/47/440481347.db2.gz HHTWYWWTOMUQNK-PIIMJCKOSA-N 1 3 328.460 0.516 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000659744337 440481656 /nfs/dbraw/zinc/48/16/56/440481656.db2.gz JGMVCDOOMFJWTR-RBSFLKMASA-N 1 3 326.485 0.713 20 0 ECADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CNCCC3(F)F)CC2)C1 ZINC000649352980 440483884 /nfs/dbraw/zinc/48/38/84/440483884.db2.gz ZNODBAXHLKTCIQ-UONOGXRCSA-N 1 3 330.423 0.470 20 0 ECADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CNCCC3(F)F)CC2)C1 ZINC000649352980 440483887 /nfs/dbraw/zinc/48/38/87/440483887.db2.gz ZNODBAXHLKTCIQ-UONOGXRCSA-N 1 3 330.423 0.470 20 0 ECADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3conc3C(C)(C)N)C2)CC1 ZINC000655448857 440564855 /nfs/dbraw/zinc/56/48/55/440564855.db2.gz ZYZCALKKULDYDL-GFCCVEGCSA-N 1 3 335.452 0.767 20 0 ECADHO CO[C@H](CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCOCC1 ZINC000638571790 440569907 /nfs/dbraw/zinc/56/99/07/440569907.db2.gz ZEAZSHPJLIEAFA-HZPDHXFCSA-N 1 3 327.469 0.605 20 0 ECADHO CO[C@H](CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCOCC1 ZINC000638571790 440569909 /nfs/dbraw/zinc/56/99/09/440569909.db2.gz ZEAZSHPJLIEAFA-HZPDHXFCSA-N 1 3 327.469 0.605 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000650013359 440578993 /nfs/dbraw/zinc/57/89/93/440578993.db2.gz JVCIOHUBELSOER-OAHLLOKOSA-N 1 3 339.484 0.132 20 0 ECADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000650013359 440579002 /nfs/dbraw/zinc/57/90/02/440579002.db2.gz JVCIOHUBELSOER-OAHLLOKOSA-N 1 3 339.484 0.132 20 0 ECADHO [NH3+]CCCOCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000638661351 440599379 /nfs/dbraw/zinc/59/93/79/440599379.db2.gz NGSQDYSWGSLOBQ-UHFFFAOYSA-N 1 3 334.464 0.680 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000638727669 440607414 /nfs/dbraw/zinc/60/74/14/440607414.db2.gz IJNWFEZIZIIPTF-UHFFFAOYSA-N 1 3 339.480 0.858 20 0 ECADHO CS(=O)(=O)N1CCC[C@@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655702955 440618580 /nfs/dbraw/zinc/61/85/80/440618580.db2.gz HHPLPJWFFRJLEP-CVEARBPZSA-N 1 3 345.509 0.643 20 0 ECADHO CN1CCC(n2cc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000638978107 440656712 /nfs/dbraw/zinc/65/67/12/440656712.db2.gz UWONIPTYRLELBO-OAHLLOKOSA-N 1 3 348.451 0.347 20 0 ECADHO CN1CCN(C[C@@H](O)CNCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000644629853 440660509 /nfs/dbraw/zinc/66/05/09/440660509.db2.gz SIYFALPVORLURD-IBGZPJMESA-N 1 3 334.508 0.489 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCCN4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000655976358 440663316 /nfs/dbraw/zinc/66/33/16/440663316.db2.gz WSPWAXBVPKYYGU-YLFCFFPRSA-N 1 3 346.479 0.873 20 0 ECADHO [NH3+]C1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000655970099 440665107 /nfs/dbraw/zinc/66/51/07/440665107.db2.gz QBWXVYRPBBKCEY-YHVXMNOBSA-N 1 3 348.491 0.600 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC000656020674 440692266 /nfs/dbraw/zinc/69/22/66/440692266.db2.gz VDEQTVOYVZPUPT-ZJIFWQFVSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)CCN1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1=O ZINC000650849753 440695138 /nfs/dbraw/zinc/69/51/38/440695138.db2.gz ZRANXKLYNZWASX-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO CN(C)CCN1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1=O ZINC000650849753 440695144 /nfs/dbraw/zinc/69/51/44/440695144.db2.gz ZRANXKLYNZWASX-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)[C@@H]1C[NH3+] ZINC000656027527 440696516 /nfs/dbraw/zinc/69/65/16/440696516.db2.gz CKRBLXZKBFRROM-LVQVYYBASA-N 1 3 336.480 0.705 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000656027057 440697122 /nfs/dbraw/zinc/69/71/22/440697122.db2.gz ARAHAYFIOLNFJZ-CABCVRRESA-N 1 3 334.464 0.474 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000656306496 440757376 /nfs/dbraw/zinc/75/73/76/440757376.db2.gz ARBQXPQNDQRSCZ-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000635006262 440730774 /nfs/dbraw/zinc/73/07/74/440730774.db2.gz YCDFCZLNNPDIJD-LBPRGKRZSA-N 1 3 326.466 0.925 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000660830324 440737479 /nfs/dbraw/zinc/73/74/79/440737479.db2.gz LNNWEXOVNJAOCQ-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000660830324 440737485 /nfs/dbraw/zinc/73/74/85/440737485.db2.gz LNNWEXOVNJAOCQ-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO O[C@@H](CN1CCCN(c2cc[nH+]cc2)CC1)CC1(O)CCOCC1 ZINC000639684070 440760137 /nfs/dbraw/zinc/76/01/37/440760137.db2.gz DOWWZMBZRTYWNO-QGZVFWFLSA-N 1 3 335.448 0.886 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)[N@H+](C)C1CC1 ZINC000656308421 440761528 /nfs/dbraw/zinc/76/15/28/440761528.db2.gz AFONHDNFEBPVQQ-VNQPRFMTSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)[N@@H+](C)C1CC1 ZINC000656308421 440761536 /nfs/dbraw/zinc/76/15/36/440761536.db2.gz AFONHDNFEBPVQQ-VNQPRFMTSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000645210963 440764013 /nfs/dbraw/zinc/76/40/13/440764013.db2.gz XVCZIYZQHBOYAU-CQSZACIVSA-N 1 3 339.484 0.622 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000645210963 440764019 /nfs/dbraw/zinc/76/40/19/440764019.db2.gz XVCZIYZQHBOYAU-CQSZACIVSA-N 1 3 339.484 0.622 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000645204919 440764407 /nfs/dbraw/zinc/76/44/07/440764407.db2.gz ACTOLEDVHKEASE-KFWWJZLASA-N 1 3 337.468 0.375 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000645204919 440764412 /nfs/dbraw/zinc/76/44/12/440764412.db2.gz ACTOLEDVHKEASE-KFWWJZLASA-N 1 3 337.468 0.375 20 0 ECADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629797859 440766217 /nfs/dbraw/zinc/76/62/17/440766217.db2.gz GIKTYOGOULOMAY-DFEHZGFQSA-N 1 3 336.480 0.243 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000629809309 440773062 /nfs/dbraw/zinc/77/30/62/440773062.db2.gz PZKHEOOCIUHPAA-DLBZAZTESA-N 1 3 344.459 0.527 20 0 ECADHO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCN1CC[C@H](O)C1 ZINC000629912954 440800352 /nfs/dbraw/zinc/80/03/52/440800352.db2.gz CJQXGEZHIUTUMZ-HNNXBMFYSA-N 1 3 325.453 0.204 20 0 ECADHO CO[C@@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630375437 440892104 /nfs/dbraw/zinc/89/21/04/440892104.db2.gz OORPCKFXIOGTOT-XYJFISCASA-N 1 3 334.464 0.410 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662443912 441040055 /nfs/dbraw/zinc/04/00/55/441040055.db2.gz BOEMCIKWBSCANP-UHFFFAOYSA-N 1 3 342.443 0.670 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641041447 441051971 /nfs/dbraw/zinc/05/19/71/441051971.db2.gz CBPGMYJNKSQGDH-HNNXBMFYSA-N 1 3 339.484 0.324 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C[C@@H](C)O1 ZINC000652345788 441056267 /nfs/dbraw/zinc/05/62/67/441056267.db2.gz LXLYCXTWBLHPRS-NRKLIOEPSA-N 1 3 339.480 0.841 20 0 ECADHO CN1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)(N2CCOCC2)CC1 ZINC000636023250 441066248 /nfs/dbraw/zinc/06/62/48/441066248.db2.gz DMXNNARWPWZHQN-MRXNPFEDSA-N 1 3 338.496 0.241 20 0 ECADHO CN1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)(N2CCOCC2)CC1 ZINC000636023250 441066252 /nfs/dbraw/zinc/06/62/52/441066252.db2.gz DMXNNARWPWZHQN-MRXNPFEDSA-N 1 3 338.496 0.241 20 0 ECADHO COC[C@H](CC1CCOCC1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657870716 441079004 /nfs/dbraw/zinc/07/90/04/441079004.db2.gz DQQUMBTUWVFGML-SJORKVTESA-N 1 3 341.496 0.995 20 0 ECADHO COC[C@H](CC1CCOCC1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657870716 441079010 /nfs/dbraw/zinc/07/90/10/441079010.db2.gz DQQUMBTUWVFGML-SJORKVTESA-N 1 3 341.496 0.995 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000284081136 320617825 /nfs/dbraw/zinc/61/78/25/320617825.db2.gz LUDOWZKXLRFWLC-AWEZNQCLSA-N 1 3 334.464 0.821 20 0 ECADHO CC(C)[C@H](C(=O)NCCCCN1CCN(CCO)CC1)[NH+](C)C ZINC000340229484 321025890 /nfs/dbraw/zinc/02/58/90/321025890.db2.gz WBTRDEPUNJFXAZ-MRXNPFEDSA-N 1 3 328.501 0.079 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000340258509 321030802 /nfs/dbraw/zinc/03/08/02/321030802.db2.gz VQWGTWIGHWQPBO-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000340258509 321030804 /nfs/dbraw/zinc/03/08/04/321030804.db2.gz VQWGTWIGHWQPBO-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340268301 321033015 /nfs/dbraw/zinc/03/30/15/321033015.db2.gz OBYSCRSOJLDGJR-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340268301 321033017 /nfs/dbraw/zinc/03/30/17/321033017.db2.gz OBYSCRSOJLDGJR-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000342366551 321087021 /nfs/dbraw/zinc/08/70/21/321087021.db2.gz QQHXKQGUUDAQBJ-YOEHRIQHSA-N 1 3 338.496 0.957 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000342366551 321087022 /nfs/dbraw/zinc/08/70/22/321087022.db2.gz QQHXKQGUUDAQBJ-YOEHRIQHSA-N 1 3 338.496 0.957 20 0 ECADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343044683 321118798 /nfs/dbraw/zinc/11/87/98/321118798.db2.gz WWWBSFQYQORENK-MSOLQXFVSA-N 1 3 328.460 0.767 20 0 ECADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343044683 321118799 /nfs/dbraw/zinc/11/87/99/321118799.db2.gz WWWBSFQYQORENK-MSOLQXFVSA-N 1 3 328.460 0.767 20 0 ECADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000343254373 321130278 /nfs/dbraw/zinc/13/02/78/321130278.db2.gz XGRNTAKOCMFCEA-TWMKSMIVSA-N 1 3 338.496 0.321 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H](N)CC(F)F)CC1 ZINC000345728445 321197884 /nfs/dbraw/zinc/19/78/84/321197884.db2.gz VPILFWPTAFMEDE-MGPQQGTHSA-N 1 3 332.439 0.986 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000346157386 321216611 /nfs/dbraw/zinc/21/66/11/321216611.db2.gz KKFKMZXUWWNMFY-GEEKYZPCSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H](C)CN(C)C)C1 ZINC000346157386 321216612 /nfs/dbraw/zinc/21/66/12/321216612.db2.gz KKFKMZXUWWNMFY-GEEKYZPCSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346158027 321216630 /nfs/dbraw/zinc/21/66/30/321216630.db2.gz AYLJSQPQILUFLX-GEEKYZPCSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000346158027 321216631 /nfs/dbraw/zinc/21/66/31/321216631.db2.gz AYLJSQPQILUFLX-GEEKYZPCSA-N 1 3 340.512 0.925 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccn(C)n1 ZINC000346489821 321224402 /nfs/dbraw/zinc/22/44/02/321224402.db2.gz RFFWLEIVSWSZEB-MRXNPFEDSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccn(C)n1 ZINC000346489821 321224403 /nfs/dbraw/zinc/22/44/03/321224403.db2.gz RFFWLEIVSWSZEB-MRXNPFEDSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccn(C)n1 ZINC000346489817 321224552 /nfs/dbraw/zinc/22/45/52/321224552.db2.gz RFFWLEIVSWSZEB-INIZCTEOSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccn(C)n1 ZINC000346489817 321224553 /nfs/dbraw/zinc/22/45/53/321224553.db2.gz RFFWLEIVSWSZEB-INIZCTEOSA-N 1 3 336.484 0.978 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000349856417 321316829 /nfs/dbraw/zinc/31/68/29/321316829.db2.gz FQOCLXHZDMXOTD-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO COCCN(CCOC)C1CC[NH+]([C@H](C)CN2CCOCC2)CC1 ZINC000353011153 321378856 /nfs/dbraw/zinc/37/88/56/321378856.db2.gz YEIRNZSCUCDFFX-QGZVFWFLSA-N 1 3 343.512 0.766 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000353391136 321389735 /nfs/dbraw/zinc/38/97/35/321389735.db2.gz UXMWZJMPJUGULG-VVLHAWIVSA-N 1 3 348.491 0.387 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000521640674 321977900 /nfs/dbraw/zinc/97/79/00/321977900.db2.gz ZYIVFPRXDGNILZ-RISCZKNCSA-N 1 3 343.497 0.562 20 0 ECADHO CCN(CCO)CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000545305656 322108926 /nfs/dbraw/zinc/10/89/26/322108926.db2.gz ATKLPTHYYNMBNE-SFHVURJKSA-N 1 3 335.448 0.054 20 0 ECADHO CCN(CCO)CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000545305656 322108928 /nfs/dbraw/zinc/10/89/28/322108928.db2.gz ATKLPTHYYNMBNE-SFHVURJKSA-N 1 3 335.448 0.054 20 0 ECADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000557618265 322206747 /nfs/dbraw/zinc/20/67/47/322206747.db2.gz HQOFFIGNXGPKLN-HNNXBMFYSA-N 1 3 334.464 0.816 20 0 ECADHO COCC1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCOCC1 ZINC000562337147 322270267 /nfs/dbraw/zinc/27/02/67/322270267.db2.gz VFYXAFMOJJIQRT-UHFFFAOYSA-N 1 3 344.500 0.564 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)CC(=O)NCC3CC3)CC2)CC1 ZINC000562349121 322270550 /nfs/dbraw/zinc/27/05/50/322270550.db2.gz JLADLFYQCQUYRI-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000563139894 322300493 /nfs/dbraw/zinc/30/04/93/322300493.db2.gz LBHIZIMEOCYFFJ-IAGOWNOFSA-N 1 3 348.491 0.770 20 0 ECADHO N[C@@H](CC(F)F)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000563159749 322302553 /nfs/dbraw/zinc/30/25/53/322302553.db2.gz KRMHBLRDZHQHRK-LBPRGKRZSA-N 1 3 342.390 0.892 20 0 ECADHO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)CN1CCN(C)CC1 ZINC000563385244 322313218 /nfs/dbraw/zinc/31/32/18/322313218.db2.gz SWDQVJAYDFJRDM-OAHLLOKOSA-N 1 3 336.484 0.058 20 0 ECADHO C[C@H]1CN(CCCCNC(=O)c2cn(CCC[NH3+])nn2)C[C@H](C)O1 ZINC000564731245 322390385 /nfs/dbraw/zinc/39/03/85/322390385.db2.gz CSURSHLEPRTWQJ-KBPBESRZSA-N 1 3 338.456 0.246 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000565249437 322445791 /nfs/dbraw/zinc/44/57/91/322445791.db2.gz FUDVUMFLXUZMOU-MRXNPFEDSA-N 1 3 325.501 0.701 20 0 ECADHO O=C(NC[C@@H]1CCCN(C(=O)C23CCCN2CCC3)C1)[C@H]1CCC[NH2+]1 ZINC000566618045 322546012 /nfs/dbraw/zinc/54/60/12/322546012.db2.gz YQGOYNDIBGBDFF-JKSUJKDBSA-N 1 3 348.491 0.722 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000566724272 322550627 /nfs/dbraw/zinc/55/06/27/322550627.db2.gz DUGJMANNDOJOGY-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO CC1(C)CC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000566748434 322552388 /nfs/dbraw/zinc/55/23/88/322552388.db2.gz KKZBCMZHOPHJLO-OLZOCXBDSA-N 1 3 337.468 0.249 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000567821588 322599523 /nfs/dbraw/zinc/59/95/23/322599523.db2.gz DOQKKNSDPQOTIJ-HNNXBMFYSA-N 1 3 335.452 0.384 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000568867431 322635331 /nfs/dbraw/zinc/63/53/31/322635331.db2.gz XGZVUIUEPCPMHQ-CHWSQXEVSA-N 1 3 340.493 0.880 20 0 ECADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000575029045 322789351 /nfs/dbraw/zinc/78/93/51/322789351.db2.gz GNUQHBGHWNSBJK-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)CN1 ZINC000417953256 518184486 /nfs/dbraw/zinc/18/44/86/518184486.db2.gz PDGSIJPNSYAMOC-KBPBESRZSA-N 1 3 335.452 0.914 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185452377 545894997 /nfs/dbraw/zinc/89/49/97/545894997.db2.gz VXIRICQHCBZNFM-JKSUJKDBSA-N 1 3 325.501 0.796 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185452377 545895001 /nfs/dbraw/zinc/89/50/01/545895001.db2.gz VXIRICQHCBZNFM-JKSUJKDBSA-N 1 3 325.501 0.796 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000420924814 546212085 /nfs/dbraw/zinc/21/20/85/546212085.db2.gz KNFUZZSZKANMNN-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@H](CO)C1 ZINC000621532002 546521151 /nfs/dbraw/zinc/52/11/51/546521151.db2.gz OOMGDQRMBKURCL-PMPSAXMXSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@H](CO)C1 ZINC000621532002 546521153 /nfs/dbraw/zinc/52/11/53/546521153.db2.gz OOMGDQRMBKURCL-PMPSAXMXSA-N 1 3 328.501 0.918 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625649614 547189315 /nfs/dbraw/zinc/18/93/15/547189315.db2.gz UPWNDMMJOHSIOJ-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625649614 547189317 /nfs/dbraw/zinc/18/93/17/547189317.db2.gz UPWNDMMJOHSIOJ-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625649614 547189319 /nfs/dbraw/zinc/18/93/19/547189319.db2.gz UPWNDMMJOHSIOJ-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[C@H]1CNCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000626978442 547366558 /nfs/dbraw/zinc/36/65/58/547366558.db2.gz DALYQBMCUNJSKQ-NVXWUHKLSA-N 1 3 337.512 0.794 20 0 ECADHO CC(C)[C@H]1CNCCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000626978442 547366562 /nfs/dbraw/zinc/36/65/62/547366562.db2.gz DALYQBMCUNJSKQ-NVXWUHKLSA-N 1 3 337.512 0.794 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000642982724 547399087 /nfs/dbraw/zinc/39/90/87/547399087.db2.gz PBUONFCZADQEPN-KRWDZBQOSA-N 1 3 342.443 0.603 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000667260621 547491201 /nfs/dbraw/zinc/49/12/01/547491201.db2.gz GMPXOEYSIKPALB-CQSZACIVSA-N 1 3 348.447 0.763 20 0 ECADHO Cc1cc(NC(=O)C(=O)NCC[NH2+]C2CC2)ccc1OCCN(C)C ZINC000667295559 547497214 /nfs/dbraw/zinc/49/72/14/547497214.db2.gz RDCABBAQJYGZRA-UHFFFAOYSA-N 1 3 348.447 0.742 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)ccc1CN(C)C ZINC000667402341 547515694 /nfs/dbraw/zinc/51/56/94/547515694.db2.gz BTJANXPHQXIHIU-BBRMVZONSA-N 1 3 348.447 0.570 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCCC1 ZINC000668358349 547632382 /nfs/dbraw/zinc/63/23/82/547632382.db2.gz BTHAPKYIGPXMQL-CQSZACIVSA-N 1 3 338.496 0.966 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000669204181 547851256 /nfs/dbraw/zinc/85/12/56/547851256.db2.gz VLJLZWQZOIPEOB-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669444081 547890697 /nfs/dbraw/zinc/89/06/97/547890697.db2.gz VHJSJIFNDVAHBH-HUUCEWRRSA-N 1 3 339.484 0.370 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671182605 548107918 /nfs/dbraw/zinc/10/79/18/548107918.db2.gz WKPBGVBQGZVCED-HZPDHXFCSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671182605 548107921 /nfs/dbraw/zinc/10/79/21/548107921.db2.gz WKPBGVBQGZVCED-HZPDHXFCSA-N 1 3 348.491 0.816 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672307259 548304201 /nfs/dbraw/zinc/30/42/01/548304201.db2.gz RWZVXAQUKHKUFF-BRWVUGGUSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672307259 548304207 /nfs/dbraw/zinc/30/42/07/548304207.db2.gz RWZVXAQUKHKUFF-BRWVUGGUSA-N 1 3 348.491 0.530 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000672307908 548304539 /nfs/dbraw/zinc/30/45/39/548304539.db2.gz RIZBCQZRUUMOHM-IRXDYDNUSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000672697589 548374866 /nfs/dbraw/zinc/37/48/66/548374866.db2.gz ZKWVEWDSCPHTEW-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000672697589 548374869 /nfs/dbraw/zinc/37/48/69/548374869.db2.gz ZKWVEWDSCPHTEW-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000673123281 548448768 /nfs/dbraw/zinc/44/87/68/548448768.db2.gz YMQHIQQPOHNUNT-MKXAEBJUSA-N 1 3 348.491 0.813 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000673123281 548448773 /nfs/dbraw/zinc/44/87/73/548448773.db2.gz YMQHIQQPOHNUNT-MKXAEBJUSA-N 1 3 348.491 0.813 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000790273521 578871047 /nfs/dbraw/zinc/87/10/47/578871047.db2.gz NBRMSVBYGLITJM-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000790273521 578871049 /nfs/dbraw/zinc/87/10/49/578871049.db2.gz NBRMSVBYGLITJM-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)N1CCCCC1 ZINC000793730572 578937882 /nfs/dbraw/zinc/93/78/82/578937882.db2.gz YRZQEUJYZXREJO-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793797009 578939755 /nfs/dbraw/zinc/93/97/55/578939755.db2.gz XVUDIDCWTJEAGX-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793797003 578939759 /nfs/dbraw/zinc/93/97/59/578939759.db2.gz XVUDIDCWTJEAGX-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]3C[N@H+](C)CC[C@@H]31)C2=O ZINC000768499820 579126829 /nfs/dbraw/zinc/12/68/29/579126829.db2.gz MQZLGTGAFFFRQI-CABCVRRESA-N 1 3 349.479 0.376 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]3C[N@@H+](C)CC[C@@H]31)C2=O ZINC000768499820 579126830 /nfs/dbraw/zinc/12/68/30/579126830.db2.gz MQZLGTGAFFFRQI-CABCVRRESA-N 1 3 349.479 0.376 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000764504790 579577618 /nfs/dbraw/zinc/57/76/18/579577618.db2.gz QROGRZPVXQDKBZ-CQSZACIVSA-N 1 3 341.525 0.051 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCCN1CCCO ZINC000840775341 588973505 /nfs/dbraw/zinc/97/35/05/588973505.db2.gz DXKFDAQARGEVSC-CABCVRRESA-N 1 3 328.526 0.782 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCCN1CCCO ZINC000840775341 588973507 /nfs/dbraw/zinc/97/35/07/588973507.db2.gz DXKFDAQARGEVSC-CABCVRRESA-N 1 3 328.526 0.782 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000841255576 588984704 /nfs/dbraw/zinc/98/47/04/588984704.db2.gz KTMCHSVRMXLVKU-ZIAGYGMSSA-N 1 3 347.463 0.619 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000841787701 589000713 /nfs/dbraw/zinc/00/07/13/589000713.db2.gz ACACCVKVDHKURH-BRWVUGGUSA-N 1 3 336.480 0.881 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)N1CCCCC1 ZINC000842015859 589008209 /nfs/dbraw/zinc/00/82/09/589008209.db2.gz PERBIELLDFHZDS-GDBMZVCRSA-N 1 3 332.448 0.793 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CCC(C)CC1 ZINC000842139347 589013066 /nfs/dbraw/zinc/01/30/66/589013066.db2.gz UTHBVMLZOAOMIL-CRAIPNDOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842266255 589025453 /nfs/dbraw/zinc/02/54/53/589025453.db2.gz GPHXUCPAUMWNIU-WMLDXEAASA-N 1 3 346.475 0.821 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000842268790 589025718 /nfs/dbraw/zinc/02/57/18/589025718.db2.gz YTXXIUSVLFPERC-UHFFFAOYSA-N 1 3 332.448 0.704 20 0 ECADHO CCC1([NH3+])CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000891604005 586181134 /nfs/dbraw/zinc/18/11/34/586181134.db2.gz UYVACIPRJSLASS-HNNXBMFYSA-N 1 3 325.501 0.783 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000892001399 586213634 /nfs/dbraw/zinc/21/36/34/586213634.db2.gz YVOGHBIMPBJTAX-CQSZACIVSA-N 1 3 337.468 0.254 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CNCCO3)C2)cc1 ZINC000892180650 586227671 /nfs/dbraw/zinc/22/76/71/586227671.db2.gz OEVDCHFISWZVKE-IAGOWNOFSA-N 1 3 332.448 0.857 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000892180650 586227673 /nfs/dbraw/zinc/22/76/73/586227673.db2.gz OEVDCHFISWZVKE-IAGOWNOFSA-N 1 3 332.448 0.857 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C[C@]2(C)C1 ZINC000896748662 586270466 /nfs/dbraw/zinc/27/04/66/586270466.db2.gz LAAKKMFPIFORPU-HFTRVMKXSA-N 1 3 336.480 0.833 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C[C@]2(C)C1 ZINC000896748662 586270469 /nfs/dbraw/zinc/27/04/69/586270469.db2.gz LAAKKMFPIFORPU-HFTRVMKXSA-N 1 3 336.480 0.833 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](O)[C@H](F)C3)CC2)CC1 ZINC000892521859 586271319 /nfs/dbraw/zinc/27/13/19/586271319.db2.gz HWCOHSVAIYUVLC-HZPDHXFCSA-N 1 3 342.459 0.659 20 0 ECADHO CN1C[C@H]2[C@@H](CCN2C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000892835399 586295018 /nfs/dbraw/zinc/29/50/18/586295018.db2.gz ALUGCHFCNPZZLH-HOTGVXAUSA-N 1 3 336.480 0.977 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893223698 586317181 /nfs/dbraw/zinc/31/71/81/586317181.db2.gz LRVQPHPHJABRMD-HZPDHXFCSA-N 1 3 342.484 0.195 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893223698 586317183 /nfs/dbraw/zinc/31/71/83/586317183.db2.gz LRVQPHPHJABRMD-HZPDHXFCSA-N 1 3 342.484 0.195 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893223699 586317459 /nfs/dbraw/zinc/31/74/59/586317459.db2.gz LRVQPHPHJABRMD-JKSUJKDBSA-N 1 3 342.484 0.195 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893223699 586317462 /nfs/dbraw/zinc/31/74/62/586317462.db2.gz LRVQPHPHJABRMD-JKSUJKDBSA-N 1 3 342.484 0.195 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCN2CC[C@@H](C)C2)CC1 ZINC000897443041 586322753 /nfs/dbraw/zinc/32/27/53/586322753.db2.gz PIXGQIKBBYNREG-OAHLLOKOSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000897493721 586333551 /nfs/dbraw/zinc/33/35/51/586333551.db2.gz AVPHVNPIKPIXOO-HZPDHXFCSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000897493721 586333552 /nfs/dbraw/zinc/33/35/52/586333552.db2.gz AVPHVNPIKPIXOO-HZPDHXFCSA-N 1 3 325.501 0.796 20 0 ECADHO COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000894006788 586369926 /nfs/dbraw/zinc/36/99/26/586369926.db2.gz YQYWICIADCWYRT-MRXNPFEDSA-N 1 3 347.525 0.701 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000894456424 586394827 /nfs/dbraw/zinc/39/48/27/586394827.db2.gz QOOSNVNXVPBRET-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000894456424 586394830 /nfs/dbraw/zinc/39/48/30/586394830.db2.gz QOOSNVNXVPBRET-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)NCCCCCC[NH3+])CCSC1 ZINC000843258218 589057622 /nfs/dbraw/zinc/05/76/22/589057622.db2.gz AXPLKNAXPCSZKL-HNNXBMFYSA-N 1 3 330.498 0.175 20 0 ECADHO CN(C(=O)[C@@]1(C)C[C@@H](O)CN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900668668 586653221 /nfs/dbraw/zinc/65/32/21/586653221.db2.gz FJNOMJWSQSNVJP-LZLYRXPVSA-N 1 3 338.496 0.068 20 0 ECADHO CN(C(=O)[C@@]1(C)C[C@@H](O)CN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900668668 586653222 /nfs/dbraw/zinc/65/32/22/586653222.db2.gz FJNOMJWSQSNVJP-LZLYRXPVSA-N 1 3 338.496 0.068 20 0 ECADHO CN(C(=O)[C@@]1(C)C[C@@H](O)CN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900668668 586653223 /nfs/dbraw/zinc/65/32/23/586653223.db2.gz FJNOMJWSQSNVJP-LZLYRXPVSA-N 1 3 338.496 0.068 20 0 ECADHO CN1CCC(NC(=S)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000843284400 589059323 /nfs/dbraw/zinc/05/93/23/589059323.db2.gz WNTHEMSYBGISFK-UHFFFAOYSA-N 1 3 326.510 0.752 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900926245 586676753 /nfs/dbraw/zinc/67/67/53/586676753.db2.gz PZRRIRNTZYSFCS-FUHWJXTLSA-N 1 3 341.496 0.793 20 0 ECADHO NC1(C[NH2+]CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCC1 ZINC000843368047 589064000 /nfs/dbraw/zinc/06/40/00/589064000.db2.gz MHXICJTVIZQCFN-UHFFFAOYSA-N 1 3 337.424 0.133 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H]1CCCN1CCCO ZINC000840776887 586768755 /nfs/dbraw/zinc/76/87/55/586768755.db2.gz PFBRZCQNEWZDFJ-CQSZACIVSA-N 1 3 330.542 0.885 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000903464003 586776458 /nfs/dbraw/zinc/77/64/58/586776458.db2.gz WIIPDTULCKBJNK-XBVQOTNRSA-N 1 3 327.428 0.959 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)Nc1nccs1 ZINC000903508679 586780541 /nfs/dbraw/zinc/78/05/41/586780541.db2.gz QGECZZJRZWXZFA-OKILXGFUSA-N 1 3 335.477 0.982 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)Nc1nccs1 ZINC000903508679 586780543 /nfs/dbraw/zinc/78/05/43/586780543.db2.gz QGECZZJRZWXZFA-OKILXGFUSA-N 1 3 335.477 0.982 20 0 ECADHO CCS(=O)(=O)NCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506990 586783222 /nfs/dbraw/zinc/78/32/22/586783222.db2.gz IGVAWNOFBONIQF-IYBDPMFKSA-N 1 3 344.525 0.216 20 0 ECADHO CCS(=O)(=O)NCCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506990 586783224 /nfs/dbraw/zinc/78/32/24/586783224.db2.gz IGVAWNOFBONIQF-IYBDPMFKSA-N 1 3 344.525 0.216 20 0 ECADHO CCS(=O)(=O)NCCCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506990 586783225 /nfs/dbraw/zinc/78/32/25/586783225.db2.gz IGVAWNOFBONIQF-IYBDPMFKSA-N 1 3 344.525 0.216 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C[C@H]1CC[NH3+] ZINC000903730028 586802950 /nfs/dbraw/zinc/80/29/50/586802950.db2.gz FXYXZXXQTVRPJR-OAGGEKHMSA-N 1 3 336.480 0.517 20 0 ECADHO COC(=O)c1cn([C@@H]2CCCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC000903757693 586812036 /nfs/dbraw/zinc/81/20/36/586812036.db2.gz FNUBCVLMURHWNJ-JKIFEVAISA-N 1 3 349.435 0.470 20 0 ECADHO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCNCCC23CCOCC3)C1 ZINC000903817610 586816003 /nfs/dbraw/zinc/81/60/03/586816003.db2.gz AMFLGYGREIPTDV-OAHLLOKOSA-N 1 3 345.509 0.503 20 0 ECADHO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCNCCC23CCOCC3)C1 ZINC000903817610 586816006 /nfs/dbraw/zinc/81/60/06/586816006.db2.gz AMFLGYGREIPTDV-OAHLLOKOSA-N 1 3 345.509 0.503 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCN(CC3CCOCC3)CC2)cnn1C ZINC000903892610 586823169 /nfs/dbraw/zinc/82/31/69/586823169.db2.gz KIQDWDGCMSYPCA-SFHVURJKSA-N 1 3 349.523 0.890 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCNC[C@@H]1c1ccncc1 ZINC000903915841 586827291 /nfs/dbraw/zinc/82/72/91/586827291.db2.gz CHZFXKYNWPHSQI-DOTOQJQBSA-N 1 3 327.436 0.744 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)C[C@]2(C)C1 ZINC000904967187 586850683 /nfs/dbraw/zinc/85/06/83/586850683.db2.gz XDVUVRSOJPHCBZ-PBHICJAKSA-N 1 3 334.464 0.141 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)C[C@]2(C)C1 ZINC000904967187 586850685 /nfs/dbraw/zinc/85/06/85/586850685.db2.gz XDVUVRSOJPHCBZ-PBHICJAKSA-N 1 3 334.464 0.141 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3CC[C@@]32CN)C1 ZINC000904970074 586851012 /nfs/dbraw/zinc/85/10/12/586851012.db2.gz FZHRQZQHCXJNHI-HDMKZQKVSA-N 1 3 336.480 0.705 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000904971488 586851489 /nfs/dbraw/zinc/85/14/89/586851489.db2.gz IJEWXIDXFDIJDW-FRQCXROJSA-N 1 3 348.491 0.803 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21CN ZINC000905005783 586858565 /nfs/dbraw/zinc/85/85/65/586858565.db2.gz GFNYGFPCAJVHHT-RLFYNMQTSA-N 1 3 336.480 0.659 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21CN ZINC000905005783 586858566 /nfs/dbraw/zinc/85/85/66/586858566.db2.gz GFNYGFPCAJVHHT-RLFYNMQTSA-N 1 3 336.480 0.659 20 0 ECADHO C[NH+]1CCC2(CCN(C(=O)C(=O)N3CC[C@H]4CC[C@]43CN)CC2)CC1 ZINC000905007826 586859231 /nfs/dbraw/zinc/85/92/31/586859231.db2.gz KPQJUQQSTWNBDG-BEFAXECRSA-N 1 3 348.491 0.661 20 0 ECADHO O[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)C1(O)CCC1 ZINC000905079843 586866868 /nfs/dbraw/zinc/86/68/68/586866868.db2.gz KDMCEGFVONPCEU-KRWDZBQOSA-N 1 3 334.464 0.459 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC[C@@H](O)C[C@@]2(O)CCOC2)cc1 ZINC000905089770 586867905 /nfs/dbraw/zinc/86/79/05/586867905.db2.gz QMDUKKIWKSQBDO-WMZOPIPTSA-N 1 3 338.448 0.619 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC[C@@H](O)C[C@]2(O)CCOC2)cc1 ZINC000905089768 586868140 /nfs/dbraw/zinc/86/81/40/586868140.db2.gz QMDUKKIWKSQBDO-FUHWJXTLSA-N 1 3 338.448 0.619 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)C1(O)CCOCC1 ZINC000905074335 586869932 /nfs/dbraw/zinc/86/99/32/586869932.db2.gz GRFAIDMDAAZQOS-QGZVFWFLSA-N 1 3 338.448 0.619 20 0 ECADHO O[C@@H](CNCC1([NH+]2CCCC2)CCOCC1)C1(O)CCOCC1 ZINC000905092484 586872113 /nfs/dbraw/zinc/87/21/13/586872113.db2.gz FLNRJZWXAYOFRS-HNNXBMFYSA-N 1 3 328.453 0.123 20 0 ECADHO N[C@H]1Cc2ccccc2N(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000906218343 586935463 /nfs/dbraw/zinc/93/54/63/586935463.db2.gz JODVKNZCFQQFQD-HNNXBMFYSA-N 1 3 325.416 0.878 20 0 ECADHO N[C@@H]1Cc2ccccc2N(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000906218344 586935595 /nfs/dbraw/zinc/93/55/95/586935595.db2.gz JODVKNZCFQQFQD-OAHLLOKOSA-N 1 3 325.416 0.878 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000817912782 587391752 /nfs/dbraw/zinc/39/17/52/587391752.db2.gz RUDFLAWIQDIGLN-ZYHUDNBSSA-N 1 3 325.425 0.838 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000817927026 587392191 /nfs/dbraw/zinc/39/21/91/587392191.db2.gz XQNLKFFGICVPGX-QGZVFWFLSA-N 1 3 346.475 0.427 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C(F)F)C1 ZINC000820080894 587507700 /nfs/dbraw/zinc/50/77/00/587507700.db2.gz OIXXRZHFUIUNMF-STQMWFEESA-N 1 3 336.427 0.934 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C(F)F)C1 ZINC000820080894 587507702 /nfs/dbraw/zinc/50/77/02/587507702.db2.gz OIXXRZHFUIUNMF-STQMWFEESA-N 1 3 336.427 0.934 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NOCC(C)(C)O)CC2)CC1 ZINC000824270433 587864385 /nfs/dbraw/zinc/86/43/85/587864385.db2.gz BBQIKKYRALOOFU-UHFFFAOYSA-N 1 3 328.457 0.547 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000851691164 589415293 /nfs/dbraw/zinc/41/52/93/589415293.db2.gz LVRNFCKAJQSIPP-YJBOKZPZSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(C2CC[NH2+]CC2)no1 ZINC000852799552 589512798 /nfs/dbraw/zinc/51/27/98/589512798.db2.gz UFFGXHUDAGBRLJ-KBPBESRZSA-N 1 3 334.420 0.735 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000857112039 589687466 /nfs/dbraw/zinc/68/74/66/589687466.db2.gz CYIOFBXPRVIMKI-UAGQMJEPSA-N 1 3 334.464 0.906 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCOC(=O)N1 ZINC000859039580 589795058 /nfs/dbraw/zinc/79/50/58/589795058.db2.gz HYJOEAJBEVQJIQ-ZIAGYGMSSA-N 1 3 326.441 0.359 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCOC(=O)N1 ZINC000859039580 589795060 /nfs/dbraw/zinc/79/50/60/589795060.db2.gz HYJOEAJBEVQJIQ-ZIAGYGMSSA-N 1 3 326.441 0.359 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867518475 589798190 /nfs/dbraw/zinc/79/81/90/589798190.db2.gz AHDRUMVGAXSWKT-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000867518475 589798192 /nfs/dbraw/zinc/79/81/92/589798192.db2.gz AHDRUMVGAXSWKT-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867741529 589833795 /nfs/dbraw/zinc/83/37/95/589833795.db2.gz HLLDNISUWGPHMM-HNNXBMFYSA-N 1 3 338.496 0.918 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000861542336 589862301 /nfs/dbraw/zinc/86/23/01/589862301.db2.gz ODRFTOOMIFLAGV-ZDUSSCGKSA-N 1 3 336.436 0.680 20 0 ECADHO C[C@@H](C(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1)[C@H](C)S(C)(=O)=O ZINC000870018526 589989771 /nfs/dbraw/zinc/98/97/71/589989771.db2.gz CBNQDTLCDPHXLB-LXTVHRRPSA-N 1 3 347.525 0.253 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)[C@@H](C)O)CC2)CC1 ZINC000871138168 590050818 /nfs/dbraw/zinc/05/08/18/590050818.db2.gz LUQCIGGXXSHCDW-CJNGLKHVSA-N 1 3 327.469 0.041 20 0 ECADHO CN(C)CCN1C[C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)CC1=O ZINC000871795625 590087330 /nfs/dbraw/zinc/08/73/30/590087330.db2.gz VRFLGSAKFZRTOQ-PBNFFQIGSA-N 1 3 333.436 0.945 20 0 ECADHO O=S(=O)(CCCN1CCCC1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871810200 590088109 /nfs/dbraw/zinc/08/81/09/590088109.db2.gz KCQIFUPFOXCREB-OAHLLOKOSA-N 1 3 345.509 0.550 20 0 ECADHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@@H](O)CC(C)(C)O)c1 ZINC000872199237 590103964 /nfs/dbraw/zinc/10/39/64/590103964.db2.gz BFPKCZHIENPVTI-INIZCTEOSA-N 1 3 337.464 0.590 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2nc3c(s2)CNCC3)C1 ZINC000872257068 590108960 /nfs/dbraw/zinc/10/89/60/590108960.db2.gz KETWWACPCKCTKG-WCFLWFBJSA-N 1 3 349.460 0.156 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000865129082 590126631 /nfs/dbraw/zinc/12/66/31/590126631.db2.gz BQNAQVPKJUUGKY-KBPBESRZSA-N 1 3 342.484 0.994 20 0 ECADHO O=C1CNCCN1[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873209231 590186551 /nfs/dbraw/zinc/18/65/51/590186551.db2.gz IRHFDMRHRIVAHL-AWEZNQCLSA-N 1 3 334.489 0.790 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874823075 590252999 /nfs/dbraw/zinc/25/29/99/590252999.db2.gz MXUMUFPJDKYGTL-JKSUJKDBSA-N 1 3 327.469 0.666 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874823075 590253001 /nfs/dbraw/zinc/25/30/01/590253001.db2.gz MXUMUFPJDKYGTL-JKSUJKDBSA-N 1 3 327.469 0.666 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1(C)C ZINC000875081921 590268671 /nfs/dbraw/zinc/26/86/71/590268671.db2.gz CGKGAQSMINHKER-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1(C)C ZINC000875081921 590268673 /nfs/dbraw/zinc/26/86/73/590268673.db2.gz CGKGAQSMINHKER-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875330656 590293450 /nfs/dbraw/zinc/29/34/50/590293450.db2.gz NWBWQCUJPYMRPZ-ZFWWWQNUSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875330656 590293452 /nfs/dbraw/zinc/29/34/52/590293452.db2.gz NWBWQCUJPYMRPZ-ZFWWWQNUSA-N 1 3 336.480 0.528 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@](C)(CC(=O)OC)C2CC2)CC1 ZINC000879438551 590312285 /nfs/dbraw/zinc/31/22/85/590312285.db2.gz JJDZRMOJDVPOIL-QGZVFWFLSA-N 1 3 325.453 0.908 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H]3CCC[C@]3(C(=O)OC)C2)CC1 ZINC000880326979 590383647 /nfs/dbraw/zinc/38/36/47/590383647.db2.gz VJQNABBVIZWDBJ-KSSFIOAISA-N 1 3 337.464 0.862 20 0 ECADHO CN(C)C[C@H](N)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000876521189 590385247 /nfs/dbraw/zinc/38/52/47/590385247.db2.gz SBILCJFSJOAOLI-CABCVRRESA-N 1 3 334.420 0.423 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876748505 590408950 /nfs/dbraw/zinc/40/89/50/590408950.db2.gz DJCLMYQJVDRWPB-USQNJUIBSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CC[N@@H+]1C ZINC000877206676 590445395 /nfs/dbraw/zinc/44/53/95/590445395.db2.gz LKQAHRWNFHRODB-MLGOLLRUSA-N 1 3 328.420 0.682 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CC[N@H+]1C ZINC000877206676 590445397 /nfs/dbraw/zinc/44/53/97/590445397.db2.gz LKQAHRWNFHRODB-MLGOLLRUSA-N 1 3 328.420 0.682 20 0 ECADHO CN1CCC(NC(=O)Cn2cc(C[C@@H]([NH3+])c3ccccc3)nn2)CC1 ZINC000881329666 590446877 /nfs/dbraw/zinc/44/68/77/590446877.db2.gz IBBNDGUUWQURMN-QGZVFWFLSA-N 1 3 342.447 0.731 20 0 ECADHO C[NH+]1CCC(NC(=O)Cn2cc(CNC3CCCCC3)nn2)CC1 ZINC000881331011 590447535 /nfs/dbraw/zinc/44/75/35/590447535.db2.gz XFSFNEVKCBXOOG-UHFFFAOYSA-N 1 3 334.468 0.911 20 0 ECADHO COc1ccc([C@@H]2CN(C(=O)CNC[C@H]3CCCO3)C[C@H]2[NH3+])cc1 ZINC000877235469 590447508 /nfs/dbraw/zinc/44/75/08/590447508.db2.gz ISKDNTUFDBQESV-IXDOHACOSA-N 1 3 333.432 0.717 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000877343188 590459489 /nfs/dbraw/zinc/45/94/89/590459489.db2.gz JTYFBNUQPHGDLL-CABCVRRESA-N 1 3 325.416 0.931 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000877343190 590459755 /nfs/dbraw/zinc/45/97/55/590459755.db2.gz JTYFBNUQPHGDLL-HUUCEWRRSA-N 1 3 325.416 0.931 20 0 ECADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)CC(C)(C)O)CC2)CC1 ZINC000878427282 590520902 /nfs/dbraw/zinc/52/09/02/590520902.db2.gz KTCOZBHSDZMQOP-MRXNPFEDSA-N 1 3 327.513 0.858 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883298901 590611854 /nfs/dbraw/zinc/61/18/54/590611854.db2.gz FYZCUYXTFOKBPB-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO F[C@@H]1C[NH2+][C@H](CN2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000883436135 590617825 /nfs/dbraw/zinc/61/78/25/590617825.db2.gz LGLZBHUXUZPNBK-ILXRZTDVSA-N 1 3 336.459 0.699 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000883638705 590636925 /nfs/dbraw/zinc/63/69/25/590636925.db2.gz UNMKDDYPGHCISM-HOCLYGCPSA-N 1 3 345.447 0.329 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884875307 590638901 /nfs/dbraw/zinc/63/89/01/590638901.db2.gz ATYGOYLLCKXLHM-UONOGXRCSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884888483 590643242 /nfs/dbraw/zinc/64/32/42/590643242.db2.gz ZKFUOUVUAUJURL-KRWDZBQOSA-N 1 3 348.491 0.861 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C2(CN)CCCCC2)C1 ZINC000883653866 590643850 /nfs/dbraw/zinc/64/38/50/590643850.db2.gz LYIHIZBSYFMBAI-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C2(CN)CCCCC2)C1 ZINC000883653866 590643853 /nfs/dbraw/zinc/64/38/53/590643853.db2.gz LYIHIZBSYFMBAI-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000885014805 590669931 /nfs/dbraw/zinc/66/99/31/590669931.db2.gz PCDDKGPXQLSUNN-YVSFHVDLSA-N 1 3 348.491 0.720 20 0 ECADHO N[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)c1ccccc1 ZINC000884026730 590706405 /nfs/dbraw/zinc/70/64/05/590706405.db2.gz KMBLXTJYZLYKEI-MRXNPFEDSA-N 1 3 325.416 0.921 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccnc(N2CCNCC2)c1 ZINC000884195701 590769992 /nfs/dbraw/zinc/76/99/92/590769992.db2.gz WPVJIXAOXPSVFH-HZPDHXFCSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccnc(N2CCNCC2)c1 ZINC000884195701 590769998 /nfs/dbraw/zinc/76/99/98/590769998.db2.gz WPVJIXAOXPSVFH-HZPDHXFCSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccnc(N2CCNCC2)c1 ZINC000884195700 590770295 /nfs/dbraw/zinc/77/02/95/590770295.db2.gz WPVJIXAOXPSVFH-HOTGVXAUSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccnc(N2CCNCC2)c1 ZINC000884195700 590770296 /nfs/dbraw/zinc/77/02/96/590770296.db2.gz WPVJIXAOXPSVFH-HOTGVXAUSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000884208720 590775943 /nfs/dbraw/zinc/77/59/43/590775943.db2.gz IQFJOTLWPYTBBC-MRXNPFEDSA-N 1 3 329.448 0.802 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884212343 590777163 /nfs/dbraw/zinc/77/71/63/590777163.db2.gz CAXWJOWLBWTKQE-INIZCTEOSA-N 1 3 329.448 0.705 20 0 ECADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccnc(N4CCNCC4)c3)C[C@H]21 ZINC000884247705 590787493 /nfs/dbraw/zinc/78/74/93/590787493.db2.gz CNLRNGRVMOUUHE-ARFHVFGLSA-N 1 3 329.448 0.691 20 0 ECADHO CN(CC(=O)N1CCC1)[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CCC2)CC1 ZINC000886394150 590838468 /nfs/dbraw/zinc/83/84/68/590838468.db2.gz SGWFDHCIURBBNP-WKILWMFISA-N 1 3 336.480 0.626 20 0 ECADHO CN(CC(=O)N1CCC1)[C@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCC2)CC1 ZINC000886394150 590838471 /nfs/dbraw/zinc/83/84/71/590838471.db2.gz SGWFDHCIURBBNP-WKILWMFISA-N 1 3 336.480 0.626 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000884503145 590845456 /nfs/dbraw/zinc/84/54/56/590845456.db2.gz CCZZNWIBSXWBNC-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000884577342 590862708 /nfs/dbraw/zinc/86/27/08/590862708.db2.gz CTKWTSHMIFIUQL-HNNXBMFYSA-N 1 3 326.485 0.955 20 0 ECADHO Cn1ccn2c(CCN[C@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)nnc2c1=O ZINC000886698399 590870760 /nfs/dbraw/zinc/87/07/60/590870760.db2.gz FAWXBRAOLAEJEU-HZSPNIEDSA-N 1 3 330.436 0.433 20 0 ECADHO Cn1ccn2c(CCN[C@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)nnc2c1=O ZINC000886698399 590870765 /nfs/dbraw/zinc/87/07/65/590870765.db2.gz FAWXBRAOLAEJEU-HZSPNIEDSA-N 1 3 330.436 0.433 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N(C)C1CC1 ZINC000884616809 590872549 /nfs/dbraw/zinc/87/25/49/590872549.db2.gz CGTMIKUNFGGLKD-KDOFPFPSSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884631368 590878487 /nfs/dbraw/zinc/87/84/87/590878487.db2.gz HYENXRWIZWXLAN-APWZRJJASA-N 1 3 348.491 0.579 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)N1CCNCCC12CCC2)C1CCCC1 ZINC000884640615 590880659 /nfs/dbraw/zinc/88/06/59/590880659.db2.gz KQAPLFTVFPOJEI-UHFFFAOYSA-N 1 3 336.480 0.722 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)N1CCNCCC12CCC2)C1CCCC1 ZINC000884640615 590880660 /nfs/dbraw/zinc/88/06/60/590880660.db2.gz KQAPLFTVFPOJEI-UHFFFAOYSA-N 1 3 336.480 0.722 20 0 ECADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C(=O)NCC[NH3+] ZINC000884673190 590888215 /nfs/dbraw/zinc/88/82/15/590888215.db2.gz PXUQTAYPFTVWTI-MRXNPFEDSA-N 1 3 332.448 0.574 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884697761 590900201 /nfs/dbraw/zinc/90/02/01/590900201.db2.gz DUBBXRQKJMIWTK-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCC1(C)C ZINC000884701014 590900825 /nfs/dbraw/zinc/90/08/25/590900825.db2.gz ZBHWREZZCXLRPT-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884702784 590901856 /nfs/dbraw/zinc/90/18/56/590901856.db2.gz KUPVCQGBSCHXFF-UKRRQHHQSA-N 1 3 333.436 0.218 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884704659 590902476 /nfs/dbraw/zinc/90/24/76/590902476.db2.gz ONEYHWXJLMMSOP-IIAWOOMASA-N 1 3 332.448 0.334 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884704659 590902479 /nfs/dbraw/zinc/90/24/79/590902479.db2.gz ONEYHWXJLMMSOP-IIAWOOMASA-N 1 3 332.448 0.334 20 0 ECADHO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884705712 590902871 /nfs/dbraw/zinc/90/28/71/590902871.db2.gz FIWOPQURDXNXAQ-QWHCGFSZSA-N 1 3 340.468 0.158 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884705712 590902873 /nfs/dbraw/zinc/90/28/73/590902873.db2.gz FIWOPQURDXNXAQ-QWHCGFSZSA-N 1 3 340.468 0.158 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884705712 590902876 /nfs/dbraw/zinc/90/28/76/590902876.db2.gz FIWOPQURDXNXAQ-QWHCGFSZSA-N 1 3 340.468 0.158 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000887087936 590941898 /nfs/dbraw/zinc/94/18/98/590941898.db2.gz DCOGSHWLSFJHPM-FVQBIDKESA-N 1 3 334.464 0.411 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000887087936 590941901 /nfs/dbraw/zinc/94/19/01/590941901.db2.gz DCOGSHWLSFJHPM-FVQBIDKESA-N 1 3 334.464 0.411 20 0 ECADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889743757 591076264 /nfs/dbraw/zinc/07/62/64/591076264.db2.gz IEHHVBPIHJXCCU-IAGOWNOFSA-N 1 3 337.464 0.155 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591505 611357532 /nfs/dbraw/zinc/35/75/32/611357532.db2.gz WQSCNITUAVEYRK-TWMKSMIVSA-N 1 3 348.491 0.517 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591505 611357533 /nfs/dbraw/zinc/35/75/33/611357533.db2.gz WQSCNITUAVEYRK-TWMKSMIVSA-N 1 3 348.491 0.517 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621060 611369550 /nfs/dbraw/zinc/36/95/50/611369550.db2.gz ILKREKNAGAOTHN-KFWWJZLASA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621060 611369553 /nfs/dbraw/zinc/36/95/53/611369553.db2.gz ILKREKNAGAOTHN-KFWWJZLASA-N 1 3 336.480 0.515 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000925297188 611466032 /nfs/dbraw/zinc/46/60/32/611466032.db2.gz UGYUDNAIMHJYAT-CVEARBPZSA-N 1 3 330.432 0.991 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000925297188 611466034 /nfs/dbraw/zinc/46/60/34/611466034.db2.gz UGYUDNAIMHJYAT-CVEARBPZSA-N 1 3 330.432 0.991 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000946793373 611481140 /nfs/dbraw/zinc/48/11/40/611481140.db2.gz APIZTOUEFKZCAY-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000946793373 611481142 /nfs/dbraw/zinc/48/11/42/611481142.db2.gz APIZTOUEFKZCAY-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000946793521 611481656 /nfs/dbraw/zinc/48/16/56/611481656.db2.gz GFFAFSQYGHXSJM-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000946793521 611481658 /nfs/dbraw/zinc/48/16/58/611481658.db2.gz GFFAFSQYGHXSJM-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000948246427 611486738 /nfs/dbraw/zinc/48/67/38/611486738.db2.gz XRAOJROHJLKDEZ-CVEARBPZSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000948246427 611486742 /nfs/dbraw/zinc/48/67/42/611486742.db2.gz XRAOJROHJLKDEZ-CVEARBPZSA-N 1 3 334.468 0.685 20 0 ECADHO N[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)C12CCC2 ZINC000925555418 611487256 /nfs/dbraw/zinc/48/72/56/611487256.db2.gz FWGXZBFXJKIWCJ-GJZGRUSLSA-N 1 3 344.463 0.375 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC000946801284 611490919 /nfs/dbraw/zinc/49/09/19/611490919.db2.gz GXFMXUFXVXXTMO-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC000946801284 611490922 /nfs/dbraw/zinc/49/09/22/611490922.db2.gz GXFMXUFXVXXTMO-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000926334253 611536788 /nfs/dbraw/zinc/53/67/88/611536788.db2.gz SDEJUCGRCHCQBG-ARFHVFGLSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000947512993 611575256 /nfs/dbraw/zinc/57/52/56/611575256.db2.gz CPUDVVDLONLEKJ-OAHLLOKOSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949251450 608598250 /nfs/dbraw/zinc/59/82/50/608598250.db2.gz NRGZDZKQHLBLGG-HOTGVXAUSA-N 1 3 339.480 0.545 20 0 ECADHO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1CN([C@H]2CCOC2)C1 ZINC000928072309 608671321 /nfs/dbraw/zinc/67/13/21/608671321.db2.gz FZEPHJOPLMJBJR-ZNMIVQPWSA-N 1 3 325.478 0.403 20 0 ECADHO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C1CN([C@H]2CCOC2)C1 ZINC000928072309 608671323 /nfs/dbraw/zinc/67/13/23/608671323.db2.gz FZEPHJOPLMJBJR-ZNMIVQPWSA-N 1 3 325.478 0.403 20 0 ECADHO O=C(N[C@@H]1CCCN2CCSC[C@@H]12)C1C[NH+]([C@H]2CCOC2)C1 ZINC000928072309 608671325 /nfs/dbraw/zinc/67/13/25/608671325.db2.gz FZEPHJOPLMJBJR-ZNMIVQPWSA-N 1 3 325.478 0.403 20 0 ECADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000925765125 608888950 /nfs/dbraw/zinc/88/89/50/608888950.db2.gz JLSHRIQRMCHCMC-XQQFMLRXSA-N 1 3 333.498 0.579 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000936280597 609050146 /nfs/dbraw/zinc/05/01/46/609050146.db2.gz PAYMDRGDWRWDSP-UKRRQHHQSA-N 1 3 331.420 0.011 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC000938192747 609512016 /nfs/dbraw/zinc/51/20/16/609512016.db2.gz DORNYLBQAODLFH-JKSUJKDBSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1C[N@H+](CCCNC(=O)c2ccnn2CCN(C)C)CCCO1 ZINC000907757567 609618728 /nfs/dbraw/zinc/61/87/28/609618728.db2.gz WQXXIMJSSCCHNT-OAHLLOKOSA-N 1 3 337.468 0.675 20 0 ECADHO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccnn2CCN(C)C)CCCO1 ZINC000907757567 609618730 /nfs/dbraw/zinc/61/87/30/609618730.db2.gz WQXXIMJSSCCHNT-OAHLLOKOSA-N 1 3 337.468 0.675 20 0 ECADHO C[C@H]1C[N@H+](CCCNC(=O)c2ccnn2CCN(C)C)CCCO1 ZINC000907757566 609618891 /nfs/dbraw/zinc/61/88/91/609618891.db2.gz WQXXIMJSSCCHNT-HNNXBMFYSA-N 1 3 337.468 0.675 20 0 ECADHO C[C@H]1C[N@@H+](CCCNC(=O)c2ccnn2CCN(C)C)CCCO1 ZINC000907757566 609618893 /nfs/dbraw/zinc/61/88/93/609618893.db2.gz WQXXIMJSSCCHNT-HNNXBMFYSA-N 1 3 337.468 0.675 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](C)CN1CCN(C)CC1 ZINC000920993310 609695671 /nfs/dbraw/zinc/69/56/71/609695671.db2.gz IFQAYGPCSUOOEK-HOTGVXAUSA-N 1 3 341.569 0.818 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H](C)CN1CCN(C)CC1 ZINC000920993310 609695672 /nfs/dbraw/zinc/69/56/72/609695672.db2.gz IFQAYGPCSUOOEK-HOTGVXAUSA-N 1 3 341.569 0.818 20 0 ECADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CCN(C)C ZINC000910829356 609767888 /nfs/dbraw/zinc/76/78/88/609767888.db2.gz BXJPYLHWKZSPIJ-AWEZNQCLSA-N 1 3 333.436 0.139 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N(C)Cc1ccccc1 ZINC000911006673 609793660 /nfs/dbraw/zinc/79/36/60/609793660.db2.gz GWDOMUDCLQOCHM-IJEWVQPXSA-N 1 3 332.448 0.347 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911055365 609796064 /nfs/dbraw/zinc/79/60/64/609796064.db2.gz NVGNDYKICJFOEJ-ARFHVFGLSA-N 1 3 338.496 0.810 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911077841 609801853 /nfs/dbraw/zinc/80/18/53/609801853.db2.gz IMZOVXRKQZRYTC-MUIFIZLQSA-N 1 3 344.459 0.716 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000911162119 609817709 /nfs/dbraw/zinc/81/77/09/609817709.db2.gz PEGAONGSPONBKH-HNNXBMFYSA-N 1 3 330.432 0.547 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000938495906 609833754 /nfs/dbraw/zinc/83/37/54/609833754.db2.gz DADQJDSRFZIMIU-YHUYYLMFSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000938495906 609833752 /nfs/dbraw/zinc/83/37/52/609833752.db2.gz DADQJDSRFZIMIU-YHUYYLMFSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[C@@H]1C[NH3+] ZINC000911258599 609838124 /nfs/dbraw/zinc/83/81/24/609838124.db2.gz SBVRDANQVVKDEX-KFWWJZLASA-N 1 3 338.496 0.666 20 0 ECADHO CCO[C@@H](CNC(=O)NCC(C)(C)N1CCN(C)CC1)C[NH+](C)C ZINC000913997610 609842181 /nfs/dbraw/zinc/84/21/81/609842181.db2.gz UKSDHQWNUMUFFH-HNNXBMFYSA-N 1 3 343.516 0.278 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)N1CCN(C)CC1 ZINC000913997846 609842245 /nfs/dbraw/zinc/84/22/45/609842245.db2.gz ALAOAPIUDSTAMQ-JYJNAYRXSA-N 1 3 325.501 0.650 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)N1CCN(C)CC1 ZINC000913997846 609842246 /nfs/dbraw/zinc/84/22/46/609842246.db2.gz ALAOAPIUDSTAMQ-JYJNAYRXSA-N 1 3 325.501 0.650 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000911443148 609873500 /nfs/dbraw/zinc/87/35/00/609873500.db2.gz QCFSNNHRVTXZNY-IIDMSEBBSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)N[C@@H]1CCCN(C)C1)C2 ZINC000914314573 609875865 /nfs/dbraw/zinc/87/58/65/609875865.db2.gz YLPONYCQZBMKQE-MAPUTHEBSA-N 1 3 338.496 0.860 20 0 ECADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)N[C@@H]1CCCN(C)C1)C2 ZINC000914314573 609875868 /nfs/dbraw/zinc/87/58/68/609875868.db2.gz YLPONYCQZBMKQE-MAPUTHEBSA-N 1 3 338.496 0.860 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@@H+]1C ZINC000911516004 609888925 /nfs/dbraw/zinc/88/89/25/609888925.db2.gz HJPIRDPESQLEAU-GUDXXQAFSA-N 1 3 344.459 0.668 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@H+]1C ZINC000911516004 609888928 /nfs/dbraw/zinc/88/89/28/609888928.db2.gz HJPIRDPESQLEAU-GUDXXQAFSA-N 1 3 344.459 0.668 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911564717 609897636 /nfs/dbraw/zinc/89/76/36/609897636.db2.gz VKQSKFRWEZDDOQ-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)CC1=O ZINC000912600481 609972689 /nfs/dbraw/zinc/97/26/89/609972689.db2.gz MHUTXYYSJRKVNT-RBSFLKMASA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC000939127793 610087775 /nfs/dbraw/zinc/08/77/75/610087775.db2.gz FNZVRYCXTKJYLP-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC000939212276 610116386 /nfs/dbraw/zinc/11/63/86/610116386.db2.gz XKEJVLJUUMSTFY-IUODEOHRSA-N 1 3 329.404 0.288 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000940424647 610281766 /nfs/dbraw/zinc/28/17/66/610281766.db2.gz WIXXQJCMQLQHFK-PMPSAXMXSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000940424647 610281767 /nfs/dbraw/zinc/28/17/67/610281767.db2.gz WIXXQJCMQLQHFK-PMPSAXMXSA-N 1 3 338.496 0.917 20 0 ECADHO CC1(C)CN(CCn2cncn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166888 610580433 /nfs/dbraw/zinc/58/04/33/610580433.db2.gz KWNAWQYHAPMBDI-HNNXBMFYSA-N 1 3 346.479 0.591 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC000944030301 611091128 /nfs/dbraw/zinc/09/11/28/611091128.db2.gz GQZZPYWYKPSFRI-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000944029837 611091193 /nfs/dbraw/zinc/09/11/93/611091193.db2.gz AVHXPPDQSXTTIK-IAGOWNOFSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000923199526 611213571 /nfs/dbraw/zinc/21/35/71/611213571.db2.gz RRYAXPIJDFLBER-JJXSEGSLSA-N 1 3 342.484 0.362 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000923199526 611213572 /nfs/dbraw/zinc/21/35/72/611213572.db2.gz RRYAXPIJDFLBER-JJXSEGSLSA-N 1 3 342.484 0.362 20 0 ECADHO CCO[C@@H](CNC(=O)NC1CCN([C@H]2CCOC2)CC1)C[NH+](C)C ZINC000923321535 611229512 /nfs/dbraw/zinc/22/95/12/611229512.db2.gz GVYOIWFJXMRHFV-HOTGVXAUSA-N 1 3 342.484 0.506 20 0 ECADHO Cn1nncc1CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946892847 611231484 /nfs/dbraw/zinc/23/14/84/611231484.db2.gz OTLNAPGLPWBAKD-OWCLPIDISA-N 1 3 346.479 0.437 20 0 ECADHO Cn1nncc1CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946892847 611231486 /nfs/dbraw/zinc/23/14/86/611231486.db2.gz OTLNAPGLPWBAKD-OWCLPIDISA-N 1 3 346.479 0.437 20 0 ECADHO Cn1nccc1[C@H]1[C@H](NC[C@@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1C1CC1 ZINC000923380953 611235910 /nfs/dbraw/zinc/23/59/10/611235910.db2.gz ZYWRJFDAGSAMRI-JJRVBVJISA-N 1 3 345.447 0.193 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000923498874 611251882 /nfs/dbraw/zinc/25/18/82/611251882.db2.gz QNGQQTOYWRWUIV-IXDOHACOSA-N 1 3 340.512 0.376 20 0 ECADHO CCO[C@H](CNS(=O)(=O)c1ccc(CN(C)C)cc1)C[NH+](C)C ZINC000921630209 611297150 /nfs/dbraw/zinc/29/71/50/611297150.db2.gz GGOXOKSUYPYNQW-OAHLLOKOSA-N 1 3 343.493 0.993 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCn1cncn1 ZINC000947936527 611747565 /nfs/dbraw/zinc/74/75/65/611747565.db2.gz WLRNSKQRWFSXTD-LSDHHAIUSA-N 1 3 332.452 0.343 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933845543 611752838 /nfs/dbraw/zinc/75/28/38/611752838.db2.gz RLSOWTDSJAWZGQ-HNNXBMFYSA-N 1 3 338.496 0.683 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933845543 611752839 /nfs/dbraw/zinc/75/28/39/611752839.db2.gz RLSOWTDSJAWZGQ-HNNXBMFYSA-N 1 3 338.496 0.683 20 0 ECADHO CCO[C@H](CNC(=O)C(=O)NC[C@H](C)N1CCCCC1)C[NH+](C)C ZINC000929608244 611770391 /nfs/dbraw/zinc/77/03/91/611770391.db2.gz QZQUVFWZBTYQND-LSDHHAIUSA-N 1 3 342.484 0.060 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000934897227 611829602 /nfs/dbraw/zinc/82/96/02/611829602.db2.gz YRACOCRINZIFBB-HOTGVXAUSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000934897227 611829604 /nfs/dbraw/zinc/82/96/04/611829604.db2.gz YRACOCRINZIFBB-HOTGVXAUSA-N 1 3 336.480 0.624 20 0 ECADHO COCC[NH+]1CCC2(CC1)CN(C(=O)CN1CCC[C@H]1C)CCO2 ZINC000949189347 611894564 /nfs/dbraw/zinc/89/45/64/611894564.db2.gz QQJYVJZZYIKGOY-MRXNPFEDSA-N 1 3 339.480 0.811 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904588 612419134 /nfs/dbraw/zinc/41/91/34/612419134.db2.gz GCFWXVXIZJEINQ-HZPDHXFCSA-N 1 3 336.480 0.623 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904588 612419138 /nfs/dbraw/zinc/41/91/38/612419138.db2.gz GCFWXVXIZJEINQ-HZPDHXFCSA-N 1 3 336.480 0.623 20 0 ECADHO CN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954651470 612492936 /nfs/dbraw/zinc/49/29/36/612492936.db2.gz GHAXQDGWARASPC-NVXWUHKLSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954651470 612492938 /nfs/dbraw/zinc/49/29/38/612492938.db2.gz GHAXQDGWARASPC-NVXWUHKLSA-N 1 3 348.491 0.768 20 0 ECADHO CN(CC(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000954662896 612509770 /nfs/dbraw/zinc/50/97/70/612509770.db2.gz RLVJKKKOELFVRV-UHFFFAOYSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000951735561 612530857 /nfs/dbraw/zinc/53/08/57/612530857.db2.gz GIDWLMVIGPJJJE-YHUYYLMFSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000951735561 612530860 /nfs/dbraw/zinc/53/08/60/612530860.db2.gz GIDWLMVIGPJJJE-YHUYYLMFSA-N 1 3 338.496 0.774 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000955443851 612590882 /nfs/dbraw/zinc/59/08/82/612590882.db2.gz BFEMYXKWIQDDQI-UHFFFAOYSA-N 1 3 345.447 0.497 20 0 ECADHO CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954835976 612729996 /nfs/dbraw/zinc/72/99/96/612729996.db2.gz BTEHYGXFPKJNLS-DZGCQCFKSA-N 1 3 347.463 0.742 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000955078465 612885793 /nfs/dbraw/zinc/88/57/93/612885793.db2.gz QVPCDBPBCXWKNV-DZKIICNBSA-N 1 3 338.496 0.726 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000955078465 612885795 /nfs/dbraw/zinc/88/57/95/612885795.db2.gz QVPCDBPBCXWKNV-DZKIICNBSA-N 1 3 338.496 0.726 20 0 ECADHO Cc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C[NH3+])c1 ZINC001164738341 720740763 /nfs/dbraw/zinc/74/07/63/720740763.db2.gz FUNWBMVQMZFPED-JKSUJKDBSA-N 1 3 340.431 0.981 20 0 ECADHO CN([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971872446 735290348 /nfs/dbraw/zinc/29/03/48/735290348.db2.gz PXQLZBGHBQXJMU-DZGCQCFKSA-N 1 3 327.388 0.369 20 0 ECADHO C[NH+](C)CCc1ccccc1C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000969458273 731904196 /nfs/dbraw/zinc/90/41/96/731904196.db2.gz OFYMWRIEIVYIGI-WBVHZDCISA-N 1 3 344.459 0.483 20 0 ECADHO COC[C@H](C)N1CC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969688423 732050346 /nfs/dbraw/zinc/05/03/46/732050346.db2.gz VWVDFHCCNVKQPR-KBPBESRZSA-N 1 3 337.468 0.530 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@H]2CCN(C(C)C)C2=O)C1)[NH+](C)C ZINC000969844817 732434706 /nfs/dbraw/zinc/43/47/06/732434706.db2.gz QXEZNLIJTGPAFM-OWCLPIDISA-N 1 3 338.496 0.772 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC[C@@H]2C)C1)N(C)C ZINC000969990028 732596157 /nfs/dbraw/zinc/59/61/57/732596157.db2.gz QLWRARWHTDCTRE-XHSDSOJGSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CCNC(=O)CCC[NH+](C)C)NC(=O)CN1CCC[C@H]1C ZINC001078084676 782277189 /nfs/dbraw/zinc/27/71/89/782277189.db2.gz CRJMHCNOWURLMB-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000970145760 732969058 /nfs/dbraw/zinc/96/90/58/732969058.db2.gz FTYFTLRGDILGMJ-AEGPPILISA-N 1 3 331.420 0.106 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000970145760 732969061 /nfs/dbraw/zinc/96/90/61/732969061.db2.gz FTYFTLRGDILGMJ-AEGPPILISA-N 1 3 331.420 0.106 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167236296 733082843 /nfs/dbraw/zinc/08/28/43/733082843.db2.gz JVPYHNQBMVMNQD-GOEBONIOSA-N 1 3 348.495 0.872 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236296 733082846 /nfs/dbraw/zinc/08/28/46/733082846.db2.gz JVPYHNQBMVMNQD-GOEBONIOSA-N 1 3 348.495 0.872 20 0 ECADHO CN(CC(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1)CC(C)(C)C ZINC001167240163 733086751 /nfs/dbraw/zinc/08/67/51/733086751.db2.gz DHVGPKBQYZDBDD-UHFFFAOYSA-N 1 3 340.512 0.929 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC2CC2)CC1)N(C)C ZINC001167251505 733095344 /nfs/dbraw/zinc/09/53/44/733095344.db2.gz UBHJRSIQEBBOQC-HIFRSBDPSA-N 1 3 338.496 0.870 20 0 ECADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001025137972 738707465 /nfs/dbraw/zinc/70/74/65/738707465.db2.gz DBSRVLNJUDCHOK-HUUCEWRRSA-N 1 3 334.468 0.628 20 0 ECADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001025137972 738707468 /nfs/dbraw/zinc/70/74/68/738707468.db2.gz DBSRVLNJUDCHOK-HUUCEWRRSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(CCc2cnn(C)c2)C1 ZINC000970367182 733426908 /nfs/dbraw/zinc/42/69/08/733426908.db2.gz PDWALTDIBCPRKQ-AWEZNQCLSA-N 1 3 333.480 0.741 20 0 ECADHO O=C(CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCCCC1 ZINC000970489506 733609246 /nfs/dbraw/zinc/60/92/46/733609246.db2.gz DECFHTUXJQEYNJ-OAHLLOKOSA-N 1 3 334.464 0.285 20 0 ECADHO CC(C)N1CC[C@@H](N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000970492966 733611142 /nfs/dbraw/zinc/61/11/42/733611142.db2.gz ZSBSGUORQXFIIG-HUUCEWRRSA-N 1 3 334.464 0.282 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC000970787723 733941003 /nfs/dbraw/zinc/94/10/03/733941003.db2.gz DUXZAFWHGJASGT-WBVHZDCISA-N 1 3 344.459 0.783 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001211286527 734250557 /nfs/dbraw/zinc/25/05/57/734250557.db2.gz VPDCLBWACDMWKR-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C1 ZINC000971203804 734357188 /nfs/dbraw/zinc/35/71/88/734357188.db2.gz HZSLYPDKNGQAFI-DLBZAZTESA-N 1 3 344.459 0.912 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2)C1 ZINC000971203804 734357190 /nfs/dbraw/zinc/35/71/90/734357190.db2.gz HZSLYPDKNGQAFI-DLBZAZTESA-N 1 3 344.459 0.912 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001167480536 734821075 /nfs/dbraw/zinc/82/10/75/734821075.db2.gz KDGHLEDDICXVSC-ZDUSSCGKSA-N 1 3 338.452 0.010 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)N(C)C2CC2)CC1 ZINC001167480593 734821263 /nfs/dbraw/zinc/82/12/63/734821263.db2.gz MOXISFFOAGISDB-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCOCCOC)CC1 ZINC001167480869 734823575 /nfs/dbraw/zinc/82/35/75/734823575.db2.gz UYXBPCOFGUPIRU-UHFFFAOYSA-N 1 3 329.485 0.867 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971678098 734941638 /nfs/dbraw/zinc/94/16/38/734941638.db2.gz MCIILGJKNKBDDP-WBVHZDCISA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971862367 735269245 /nfs/dbraw/zinc/26/92/45/735269245.db2.gz ZXDNSHQYZYARPK-OAHLLOKOSA-N 1 3 332.452 0.439 20 0 ECADHO C[N@H+](C[C@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427560 736173565 /nfs/dbraw/zinc/17/35/65/736173565.db2.gz ZZYHXQIKRHRKHM-UKRRQHHQSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427560 736173566 /nfs/dbraw/zinc/17/35/66/736173566.db2.gz ZZYHXQIKRHRKHM-UKRRQHHQSA-N 1 3 333.436 0.401 20 0 ECADHO CO[C@H](C)C[N@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572413 736272173 /nfs/dbraw/zinc/27/21/73/736272173.db2.gz GRJLFGAJOYUVID-OAHLLOKOSA-N 1 3 329.485 0.647 20 0 ECADHO CO[C@H](C)C[N@@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572413 736272176 /nfs/dbraw/zinc/27/21/76/736272176.db2.gz GRJLFGAJOYUVID-OAHLLOKOSA-N 1 3 329.485 0.647 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001023130595 736525584 /nfs/dbraw/zinc/52/55/84/736525584.db2.gz WAECEXMQPDNBRZ-IYBDPMFKSA-N 1 3 344.459 0.831 20 0 ECADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972627855 737148268 /nfs/dbraw/zinc/14/82/68/737148268.db2.gz IZYDFJUATYIUEU-MRXNPFEDSA-N 1 3 349.479 0.527 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(CCN3CCCC3=O)C2)C1 ZINC001023750285 737296634 /nfs/dbraw/zinc/29/66/34/737296634.db2.gz JSUSWDBXKVZPEQ-CVEARBPZSA-N 1 3 336.480 0.389 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(CCN3CCCC3=O)C2)C1 ZINC001023750285 737296639 /nfs/dbraw/zinc/29/66/39/737296639.db2.gz JSUSWDBXKVZPEQ-CVEARBPZSA-N 1 3 336.480 0.389 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001067462573 737304603 /nfs/dbraw/zinc/30/46/03/737304603.db2.gz MKTGFIFCPKJUOZ-HOTGVXAUSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001067462573 737304605 /nfs/dbraw/zinc/30/46/05/737304605.db2.gz MKTGFIFCPKJUOZ-HOTGVXAUSA-N 1 3 338.496 0.587 20 0 ECADHO O=C(NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1)[C@H]1C[NH+]2CCC1CC2 ZINC001087256895 737410580 /nfs/dbraw/zinc/41/05/80/737410580.db2.gz QFTBVLALBTUYOE-HNNXBMFYSA-N 1 3 345.447 0.640 20 0 ECADHO CN(CCCN(C)C(=O)CN1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001067465936 737413987 /nfs/dbraw/zinc/41/39/87/737413987.db2.gz WXBHDMYXKBQMRA-INIZCTEOSA-N 1 3 338.496 0.731 20 0 ECADHO CN(CCCN(C)C(=O)CN1CCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001067465936 737413989 /nfs/dbraw/zinc/41/39/89/737413989.db2.gz WXBHDMYXKBQMRA-INIZCTEOSA-N 1 3 338.496 0.731 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](CNCc2nncn2C)C1 ZINC001024156245 737783568 /nfs/dbraw/zinc/78/35/68/737783568.db2.gz JZFQMOKPTFYXQG-CABCVRRESA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](CNCc2nncn2C)C1 ZINC001024156245 737783571 /nfs/dbraw/zinc/78/35/71/737783571.db2.gz JZFQMOKPTFYXQG-CABCVRRESA-N 1 3 334.468 0.628 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001024211649 737815824 /nfs/dbraw/zinc/81/58/24/737815824.db2.gz FQXOEDSYIGDMNK-CVEARBPZSA-N 1 3 336.480 0.435 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024238147 737845162 /nfs/dbraw/zinc/84/51/62/737845162.db2.gz YHFKJYNEJCEWBG-CVEARBPZSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024238147 737845168 /nfs/dbraw/zinc/84/51/68/737845168.db2.gz YHFKJYNEJCEWBG-CVEARBPZSA-N 1 3 348.495 0.968 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCCCN2CCCO)n1 ZINC001024441281 737976533 /nfs/dbraw/zinc/97/65/33/737976533.db2.gz CQJIFYYOBOBZOA-HNNXBMFYSA-N 1 3 337.468 0.411 20 0 ECADHO CC(C)[C@H](C(=O)N1CC2(C1)CCCN(CCn1cncn1)C2)[NH+](C)C ZINC000981991744 751425148 /nfs/dbraw/zinc/42/51/48/751425148.db2.gz NPQMXHBSWDVZOG-MRXNPFEDSA-N 1 3 348.495 0.789 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001104679627 739462232 /nfs/dbraw/zinc/46/22/32/739462232.db2.gz LRIBUJXNWOJITN-GVDBMIGSSA-N 1 3 341.496 0.411 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000973550041 739513842 /nfs/dbraw/zinc/51/38/42/739513842.db2.gz UVSLDBREUKJZMY-QKPAOTATSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000973550041 739513845 /nfs/dbraw/zinc/51/38/45/739513845.db2.gz UVSLDBREUKJZMY-QKPAOTATSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC001026044194 740328361 /nfs/dbraw/zinc/32/83/61/740328361.db2.gz LNOHRBRWULYVTR-BMQFZULRSA-N 1 3 331.464 0.207 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC001026044194 740328365 /nfs/dbraw/zinc/32/83/65/740328365.db2.gz LNOHRBRWULYVTR-BMQFZULRSA-N 1 3 331.464 0.207 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026088639 740363004 /nfs/dbraw/zinc/36/30/04/740363004.db2.gz FLPGRKMBHZMQNN-JKJDWNRSSA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026088639 740363007 /nfs/dbraw/zinc/36/30/07/740363007.db2.gz FLPGRKMBHZMQNN-JKJDWNRSSA-N 1 3 334.464 0.184 20 0 ECADHO Cc1cc(CNCC2(CCNC(=O)COCC[NH+](C)C)CC2)ncn1 ZINC001167733229 740554015 /nfs/dbraw/zinc/55/40/15/740554015.db2.gz WSNOMNKDZJKXJU-UHFFFAOYSA-N 1 3 349.479 0.739 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C)N(C)C ZINC001020416377 751568525 /nfs/dbraw/zinc/56/85/25/751568525.db2.gz MXKHFIZGNBKDIA-BPUTZDHNSA-N 1 3 338.496 0.774 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4cnnn4C)[C@@H]3C2)CCC1 ZINC001026283784 740743764 /nfs/dbraw/zinc/74/37/64/740743764.db2.gz MTMVSBGFQKLMSI-IMJJTQAJSA-N 1 3 346.479 0.626 20 0 ECADHO Cn1ccnc1CN[C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001026401098 741237534 /nfs/dbraw/zinc/23/75/34/741237534.db2.gz UXMBEVGEDUNKGX-ARFHVFGLSA-N 1 3 343.475 0.843 20 0 ECADHO Cn1ccnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]12 ZINC001026401099 741237818 /nfs/dbraw/zinc/23/78/18/741237818.db2.gz UXMBEVGEDUNKGX-BZUAXINKSA-N 1 3 343.475 0.843 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242828 741543528 /nfs/dbraw/zinc/54/35/28/741543528.db2.gz KHUSLKJPNSESPE-QGZVFWFLSA-N 1 3 346.479 0.893 20 0 ECADHO CN(C)Cc1cccc(C(=O)NC2CCC([NH2+]CC(N)=O)CC2)c1 ZINC001026609824 741613059 /nfs/dbraw/zinc/61/30/59/741613059.db2.gz WLFMSIXGOIOVNF-UHFFFAOYSA-N 1 3 332.448 0.864 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001105314550 741736737 /nfs/dbraw/zinc/73/67/37/741736737.db2.gz WBDGCKADFMLEIW-UHFFFAOYSA-N 1 3 334.468 0.893 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105326992 741806719 /nfs/dbraw/zinc/80/67/19/741806719.db2.gz NZMOXWZPMXITJB-CQSZACIVSA-N 1 3 334.468 0.891 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001105326992 741806723 /nfs/dbraw/zinc/80/67/23/741806723.db2.gz NZMOXWZPMXITJB-CQSZACIVSA-N 1 3 334.468 0.891 20 0 ECADHO Cn1cc(CNC[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)nn1 ZINC001026972431 742218382 /nfs/dbraw/zinc/21/83/82/742218382.db2.gz GYZSQCNIFNSYCV-PBHICJAKSA-N 1 3 346.479 0.628 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001027063421 742431491 /nfs/dbraw/zinc/43/14/91/742431491.db2.gz LAORZAXTSJEXBB-HUUCEWRRSA-N 1 3 334.468 0.720 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001027063421 742431493 /nfs/dbraw/zinc/43/14/93/742431493.db2.gz LAORZAXTSJEXBB-HUUCEWRRSA-N 1 3 334.468 0.720 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccnc(OC)n2)C1)N(C)C ZINC001027070107 742482016 /nfs/dbraw/zinc/48/20/16/742482016.db2.gz JJAVXGYDQSRULC-HIFRSBDPSA-N 1 3 335.452 0.764 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC000975408282 742815460 /nfs/dbraw/zinc/81/54/60/742815460.db2.gz ACXOQDIRPJULKF-SQWLQELKSA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC000975408282 742815463 /nfs/dbraw/zinc/81/54/63/742815463.db2.gz ACXOQDIRPJULKF-SQWLQELKSA-N 1 3 345.447 0.353 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996822991 742918896 /nfs/dbraw/zinc/91/88/96/742918896.db2.gz RTDKQFVLQZCKEH-GZZPIAKFSA-N 1 3 349.475 0.467 20 0 ECADHO C[C@@H](NC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000997002282 743114246 /nfs/dbraw/zinc/11/42/46/743114246.db2.gz VFUIDWFJCBAGLF-ZIAGYGMSSA-N 1 3 334.468 0.941 20 0 ECADHO C[C@@H](NC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000997002282 743114247 /nfs/dbraw/zinc/11/42/47/743114247.db2.gz VFUIDWFJCBAGLF-ZIAGYGMSSA-N 1 3 334.468 0.941 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997004537 743117177 /nfs/dbraw/zinc/11/71/77/743117177.db2.gz DONZMYZWSKWVTQ-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997004537 743117182 /nfs/dbraw/zinc/11/71/82/743117182.db2.gz DONZMYZWSKWVTQ-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO Cn1ccc(CNC2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)n1 ZINC000997126426 743265165 /nfs/dbraw/zinc/26/51/65/743265165.db2.gz MZLRDFLWMMEKSH-UHFFFAOYSA-N 1 3 349.479 0.612 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997187985 743330991 /nfs/dbraw/zinc/33/09/91/743330991.db2.gz YGOWYWNRMHKZRG-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997187985 743330999 /nfs/dbraw/zinc/33/09/99/743330999.db2.gz YGOWYWNRMHKZRG-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CCO)CC1 ZINC000997692407 743756288 /nfs/dbraw/zinc/75/62/88/743756288.db2.gz QYQABVBKUUHHFR-QBPRILJRSA-N 1 3 337.464 0.059 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)n[nH]1 ZINC001020592628 751863369 /nfs/dbraw/zinc/86/33/69/751863369.db2.gz KNDBLVAPFUMDGI-AAVRWANBSA-N 1 3 334.468 0.863 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)n[nH]1 ZINC001020592628 751863381 /nfs/dbraw/zinc/86/33/81/751863381.db2.gz KNDBLVAPFUMDGI-AAVRWANBSA-N 1 3 334.468 0.863 20 0 ECADHO CC1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000976535983 744062883 /nfs/dbraw/zinc/06/28/83/744062883.db2.gz HZAKHEYBADTZGY-LISAXSMJSA-N 1 3 348.491 0.243 20 0 ECADHO CC1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000976535983 744062884 /nfs/dbraw/zinc/06/28/84/744062884.db2.gz HZAKHEYBADTZGY-LISAXSMJSA-N 1 3 348.491 0.243 20 0 ECADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@@H+]([C@@H]4CCNC4=O)C[C@]3(C)C2)CCC1 ZINC000982295756 751897289 /nfs/dbraw/zinc/89/72/89/751897289.db2.gz CVUHXQFAEFLRQE-OLMNPRSZSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@H+]([C@@H]4CCNC4=O)C[C@]3(C)C2)CCC1 ZINC000982295756 751897298 /nfs/dbraw/zinc/89/72/98/751897298.db2.gz CVUHXQFAEFLRQE-OLMNPRSZSA-N 1 3 348.491 0.530 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976668817 744201718 /nfs/dbraw/zinc/20/17/18/744201718.db2.gz XPQUBCYEZADYLH-UUAJXVIYSA-N 1 3 348.491 0.386 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976668817 744201720 /nfs/dbraw/zinc/20/17/20/744201720.db2.gz XPQUBCYEZADYLH-UUAJXVIYSA-N 1 3 348.491 0.386 20 0 ECADHO Cn1cc(CN[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000999171223 744547709 /nfs/dbraw/zinc/54/77/09/744547709.db2.gz UZVJVLAWWPJRLW-SJORKVTESA-N 1 3 331.464 0.843 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999342600 744638873 /nfs/dbraw/zinc/63/88/73/744638873.db2.gz KTRAOXWUSYFTLW-UHFFFAOYSA-N 1 3 334.468 0.719 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)n1 ZINC000999470102 744713950 /nfs/dbraw/zinc/71/39/50/744713950.db2.gz RKTNXRXMHIVADT-UHFFFAOYSA-N 1 3 331.424 0.440 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@H]32)C1 ZINC000977206381 744766970 /nfs/dbraw/zinc/76/69/70/744766970.db2.gz DIFFCXIRYPEJAY-LCEIHVTHSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@H]32)C1 ZINC000977206381 744766972 /nfs/dbraw/zinc/76/69/72/744766972.db2.gz DIFFCXIRYPEJAY-LCEIHVTHSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029153471 745175685 /nfs/dbraw/zinc/17/56/85/745175685.db2.gz OHQZQJDACDVCAA-BBRMVZONSA-N 1 3 347.463 0.790 20 0 ECADHO CCN1CC[C@H](N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000712959 745716334 /nfs/dbraw/zinc/71/63/34/745716334.db2.gz UFBUSEDACYALQZ-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000978058061 745838005 /nfs/dbraw/zinc/83/80/05/745838005.db2.gz RWZZCWMEXMERRW-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001000926459 745906263 /nfs/dbraw/zinc/90/62/63/745906263.db2.gz ONARENBTBKEKNZ-WBVHZDCISA-N 1 3 349.479 0.469 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000978142809 745960450 /nfs/dbraw/zinc/96/04/50/745960450.db2.gz IGNJQMDNCMAQTF-NXOAAHMSSA-N 1 3 346.479 0.445 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000978142809 745960452 /nfs/dbraw/zinc/96/04/52/745960452.db2.gz IGNJQMDNCMAQTF-NXOAAHMSSA-N 1 3 346.479 0.445 20 0 ECADHO O=C(NCC1CCN([C@@H]2CCCNC2=O)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001001413096 746353340 /nfs/dbraw/zinc/35/33/40/746353340.db2.gz JIEWTODWVXRXNA-IAGOWNOFSA-N 1 3 348.491 0.435 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001419208 746358543 /nfs/dbraw/zinc/35/85/43/746358543.db2.gz QJWGLCBJPHIPMV-IJEWVQPXSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001419208 746358550 /nfs/dbraw/zinc/35/85/50/746358550.db2.gz QJWGLCBJPHIPMV-IJEWVQPXSA-N 1 3 338.496 0.632 20 0 ECADHO O=C(NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000978554364 746424330 /nfs/dbraw/zinc/42/43/30/746424330.db2.gz HWUNBDXDISXUMB-WEXBMKDWSA-N 1 3 345.487 0.944 20 0 ECADHO O=C(NC[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000978554364 746424333 /nfs/dbraw/zinc/42/43/33/746424333.db2.gz HWUNBDXDISXUMB-WEXBMKDWSA-N 1 3 345.487 0.944 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978661041 746549030 /nfs/dbraw/zinc/54/90/30/746549030.db2.gz AJQNOEXBMZYKGO-OSMBCOQSSA-N 1 3 348.491 0.289 20 0 ECADHO Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cn1 ZINC000978674835 746571124 /nfs/dbraw/zinc/57/11/24/746571124.db2.gz GAGNVHNSALKRBR-OSYLJGHBSA-N 1 3 331.464 0.556 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027652566 746581659 /nfs/dbraw/zinc/58/16/59/746581659.db2.gz RZUNWZNQMGUMNI-HZPDHXFCSA-N 1 3 334.468 0.543 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027652566 746581663 /nfs/dbraw/zinc/58/16/63/746581663.db2.gz RZUNWZNQMGUMNI-HZPDHXFCSA-N 1 3 334.468 0.543 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000978845309 746772356 /nfs/dbraw/zinc/77/23/56/746772356.db2.gz ZZZYLDGSIMZBIQ-MCIONIFRSA-N 1 3 333.436 0.223 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978845309 746772359 /nfs/dbraw/zinc/77/23/59/746772359.db2.gz ZZZYLDGSIMZBIQ-MCIONIFRSA-N 1 3 333.436 0.223 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001001997619 746874370 /nfs/dbraw/zinc/87/43/70/746874370.db2.gz ATGIYARNCLMJMN-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001001997619 746874374 /nfs/dbraw/zinc/87/43/74/746874374.db2.gz ATGIYARNCLMJMN-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)n1 ZINC000984810714 746967050 /nfs/dbraw/zinc/96/70/50/746967050.db2.gz XVAUIYJWTPFHGW-SDADXPQNSA-N 1 3 347.463 0.667 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)n1 ZINC000984810714 746967054 /nfs/dbraw/zinc/96/70/54/746967054.db2.gz XVAUIYJWTPFHGW-SDADXPQNSA-N 1 3 347.463 0.667 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000979046847 747113813 /nfs/dbraw/zinc/11/38/13/747113813.db2.gz NXPUXIWHXJSRNQ-OAGGEKHMSA-N 1 3 348.491 0.435 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)C1 ZINC001088106777 747399057 /nfs/dbraw/zinc/39/90/57/747399057.db2.gz QFUUQFHKKHLSER-ZACQAIPSSA-N 1 3 346.479 0.400 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)C1 ZINC001088106777 747399067 /nfs/dbraw/zinc/39/90/67/747399067.db2.gz QFUUQFHKKHLSER-ZACQAIPSSA-N 1 3 346.479 0.400 20 0 ECADHO C[C@H](NCc1cncn1C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC000979367368 747714264 /nfs/dbraw/zinc/71/42/64/747714264.db2.gz FFCWXZFUUVNOQI-WMLDXEAASA-N 1 3 349.479 0.467 20 0 ECADHO C[C@@H](NCc1cnn(C)c1)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979453761 747869348 /nfs/dbraw/zinc/86/93/48/747869348.db2.gz QYBQHELRYBKVID-GDBMZVCRSA-N 1 3 347.463 0.221 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001003152451 748236250 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Cc1[nH]cnc1CC(=O)NC1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC001004054582 749164685 /nfs/dbraw/zinc/16/46/85/749164685.db2.gz YDSSANNSELUYIZ-CQSZACIVSA-N 1 3 347.463 0.758 20 0 ECADHO CCN(CC)CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059673531 749328844 /nfs/dbraw/zinc/32/88/44/749328844.db2.gz ATOABHDPTOPDND-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO CCN(CC)CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001059673531 749328850 /nfs/dbraw/zinc/32/88/50/749328850.db2.gz ATOABHDPTOPDND-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004253358 749358805 /nfs/dbraw/zinc/35/88/05/749358805.db2.gz GGWARGFFOVBVKM-VQCLRJIVSA-N 1 3 347.463 0.790 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004253358 749358814 /nfs/dbraw/zinc/35/88/14/749358814.db2.gz GGWARGFFOVBVKM-VQCLRJIVSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)CN(C)C1CCC1 ZINC000986357990 749816799 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345.447 0.401 20 0 ECADHO C[C@@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987126712 750512301 /nfs/dbraw/zinc/51/23/01/750512301.db2.gz WMPCKKAWTUHZSS-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCN2CCNC2=O)CC1 ZINC001167836309 750514647 /nfs/dbraw/zinc/51/46/47/750514647.db2.gz STQCHCZRPSBQOE-UHFFFAOYSA-N 1 3 339.484 0.230 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)Cc3nc[nH]c3C)C2)n1 ZINC001020980658 752396570 /nfs/dbraw/zinc/39/65/70/752396570.db2.gz QANVTJSYQAKCQN-HDJSIYSDSA-N 1 3 331.424 0.406 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001021091384 752531065 /nfs/dbraw/zinc/53/10/65/752531065.db2.gz VFGIZNBTKPWGFD-BZUAXINKSA-N 1 3 330.432 0.487 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001021096466 752537516 /nfs/dbraw/zinc/53/75/16/752537516.db2.gz UKKUBPSMCZHWOP-VGWMRTNUSA-N 1 3 346.479 0.877 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C 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VHTLEOZNENQITO-JSGCOSHPSA-N 1 3 333.436 0.257 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC001008164714 753399341 /nfs/dbraw/zinc/39/93/41/753399341.db2.gz VHTLEOZNENQITO-JSGCOSHPSA-N 1 3 333.436 0.257 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001014102131 762252502 /nfs/dbraw/zinc/25/25/02/762252502.db2.gz ICDZDCFLIBRGTI-SWLSCSKDSA-N 1 3 333.436 0.400 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC000982879036 754064402 /nfs/dbraw/zinc/06/44/02/754064402.db2.gz KWUBKCYBVLXXKB-GDBMZVCRSA-N 1 3 348.491 0.387 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419578921 754148794 /nfs/dbraw/zinc/14/87/94/754148794.db2.gz FKNKZYVGWIXKGK-IUOOZAAYSA-N 1 3 336.480 0.718 20 0 ECADHO CN1CC[C@H](N2CC[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028655961 754319346 /nfs/dbraw/zinc/31/93/46/754319346.db2.gz BFMCYGLCXOPPED-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)CN1CCCC1 ZINC000989799513 754459960 /nfs/dbraw/zinc/45/99/60/754459960.db2.gz MNYOFGMWNITRFP-ZBFHGGJFSA-N 1 3 332.448 0.560 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001168346255 754769958 /nfs/dbraw/zinc/76/99/58/754769958.db2.gz YUAJFMJFVIKHTG-ZDUSSCGKSA-N 1 3 338.452 0.008 20 0 ECADHO CCCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469936 755265415 /nfs/dbraw/zinc/26/54/15/755265415.db2.gz QVNBPNFNMDKVSJ-NCOADZHNSA-N 1 3 339.480 0.305 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2O)n1 ZINC001083470140 755279064 /nfs/dbraw/zinc/27/90/64/755279064.db2.gz BCYIHYXGSCLEMM-CVEARBPZSA-N 1 3 335.452 0.020 20 0 ECADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC2(CCN(CCO)CC2)O1 ZINC001098656610 755686236 /nfs/dbraw/zinc/68/62/36/755686236.db2.gz URWPGNNONKOHLX-CVEARBPZSA-N 1 3 339.480 0.402 20 0 ECADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC2(CCN(CCO)CC2)O1 ZINC001098656610 755686240 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1 3 349.479 0.467 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001051624240 762500899 /nfs/dbraw/zinc/50/08/99/762500899.db2.gz NZZZYQVTDVIUJV-YESZJQIVSA-N 1 3 349.479 0.467 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1)N(C)C ZINC001011134046 756995783 /nfs/dbraw/zinc/99/57/83/756995783.db2.gz YLTXDSQTYCAYMW-JKSUJKDBSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1)N(C)C ZINC001011134046 756995790 /nfs/dbraw/zinc/99/57/90/756995790.db2.gz YLTXDSQTYCAYMW-JKSUJKDBSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1)N1CCCC1 ZINC000996127091 756998981 /nfs/dbraw/zinc/99/89/81/756998981.db2.gz MTAUMGSLLQECDF-OAHLLOKOSA-N 1 3 348.495 0.979 20 0 ECADHO CN(C)[C@H](C(=O)N1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)C1CC1 ZINC001011178277 757131015 /nfs/dbraw/zinc/13/10/15/757131015.db2.gz SNZZPPYRWWDXOI-IRXDYDNUSA-N 1 3 348.491 0.339 20 0 ECADHO Cc1nn(C)cc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048864143 757221522 /nfs/dbraw/zinc/22/15/22/757221522.db2.gz SGMJKMLPMHPGNZ-KSZLIROESA-N 1 3 345.491 0.959 20 0 ECADHO Cc1nn(C)cc1C[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048864143 757221527 /nfs/dbraw/zinc/22/15/27/757221527.db2.gz SGMJKMLPMHPGNZ-KSZLIROESA-N 1 3 345.491 0.959 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864270 757221564 /nfs/dbraw/zinc/22/15/64/757221564.db2.gz VDTGEFIOBGXXKJ-TWMKSMIVSA-N 1 3 348.491 0.338 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864270 757221573 /nfs/dbraw/zinc/22/15/73/757221573.db2.gz VDTGEFIOBGXXKJ-TWMKSMIVSA-N 1 3 348.491 0.338 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]3C2)C1=O ZINC001048864531 757222059 /nfs/dbraw/zinc/22/20/59/757222059.db2.gz IVLAMKNLUGZGBL-HLLBOEOZSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]3C2)C1=O ZINC001048864531 757222064 /nfs/dbraw/zinc/22/20/64/757222064.db2.gz IVLAMKNLUGZGBL-HLLBOEOZSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)[C@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC001011263955 757331526 /nfs/dbraw/zinc/33/15/26/757331526.db2.gz UBONWGJNLIRIRA-YOEHRIQHSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)[C@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC001011263955 757331538 /nfs/dbraw/zinc/33/15/38/757331538.db2.gz UBONWGJNLIRIRA-YOEHRIQHSA-N 1 3 336.480 0.339 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996310089 757335790 /nfs/dbraw/zinc/33/57/90/757335790.db2.gz KAZGIERUKYQWHP-JKSUJKDBSA-N 1 3 334.464 0.282 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1)C1CCC1 ZINC000996314380 757346054 /nfs/dbraw/zinc/34/60/54/757346054.db2.gz KZBQEJOJUGLDLT-GOSISDBHSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1)[NH+](C)C ZINC001011281947 757399384 /nfs/dbraw/zinc/39/93/84/757399384.db2.gz DJBHMCIJBIFILB-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC000996340684 757411344 /nfs/dbraw/zinc/41/13/44/757411344.db2.gz MGJLZNQEZUVNRU-OAHLLOKOSA-N 1 3 336.480 0.528 20 0 ECADHO CC1CCN(CC(=O)N2CC(NC(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC000996468914 757797321 /nfs/dbraw/zinc/79/73/21/757797321.db2.gz INBZIWOALGZTJK-UHFFFAOYSA-N 1 3 334.464 0.141 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996506563 757814870 /nfs/dbraw/zinc/81/48/70/757814870.db2.gz MQYXNKIZOQVTGN-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996506563 757814884 /nfs/dbraw/zinc/81/48/84/757814884.db2.gz MQYXNKIZOQVTGN-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO CN1CC[C@H](N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1=O ZINC000996521431 757931740 /nfs/dbraw/zinc/93/17/40/757931740.db2.gz SDDAIAHKWIPOQV-UONOGXRCSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001077020840 757956957 /nfs/dbraw/zinc/95/69/57/757956957.db2.gz AFLYJVVZNWCNKI-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)[C@H](C(=O)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1)C1CC1 ZINC001051653878 762598608 /nfs/dbraw/zinc/59/86/08/762598608.db2.gz BKDBIROUFFWLKG-SJORKVTESA-N 1 3 339.480 0.570 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CCO[C@H](CNCc2cncs2)C1)C1CC1 ZINC001051654406 762602687 /nfs/dbraw/zinc/60/26/87/762602687.db2.gz MQQJHGKNOHABJI-HIFRSBDPSA-N 1 3 338.477 0.800 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001011623444 758156085 /nfs/dbraw/zinc/15/60/85/758156085.db2.gz FGFBZRDDCPNETL-INIZCTEOSA-N 1 3 348.491 0.627 20 0 ECADHO O=C(N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563279 758176943 /nfs/dbraw/zinc/17/69/43/758176943.db2.gz HLCRQJOKWZXIQD-XHSDSOJGSA-N 1 3 337.464 0.060 20 0 ECADHO CN(CC(=O)N1CCO[C@H](C[NH2+]C[C@H]2CCCCO2)C1)C1CCC1 ZINC001051656011 762607683 /nfs/dbraw/zinc/60/76/83/762607683.db2.gz YJSYZRBVHFMLHY-IAGOWNOFSA-N 1 3 339.480 0.857 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)C1 ZINC001049171124 758210527 /nfs/dbraw/zinc/21/05/27/758210527.db2.gz LNMOSOJBJFLGQZ-YESZJQIVSA-N 1 3 348.491 0.341 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)C1 ZINC001049171124 758210533 /nfs/dbraw/zinc/21/05/33/758210533.db2.gz LNMOSOJBJFLGQZ-YESZJQIVSA-N 1 3 348.491 0.341 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1)N(C)C ZINC001011665630 758247695 /nfs/dbraw/zinc/24/76/95/758247695.db2.gz AWYPNORHVJZMEO-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1)N(C)C ZINC001011665630 758247702 /nfs/dbraw/zinc/24/77/02/758247702.db2.gz AWYPNORHVJZMEO-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022121029 758304673 /nfs/dbraw/zinc/30/46/73/758304673.db2.gz WEXSSFOXPGEFBZ-KNCOVGOOSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022121029 758304687 /nfs/dbraw/zinc/30/46/87/758304687.db2.gz WEXSSFOXPGEFBZ-KNCOVGOOSA-N 1 3 334.420 0.583 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(CCO[C@H]4CC4(F)F)C[C@H]3C2)C1 ZINC001049214768 758338134 /nfs/dbraw/zinc/33/81/34/758338134.db2.gz VPGGTCJWMJAYPX-KBXIAJHMSA-N 1 3 343.418 0.753 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(CCO[C@H]4CC4(F)F)C[C@H]3C2)C1 ZINC001049214768 758338140 /nfs/dbraw/zinc/33/81/40/758338140.db2.gz VPGGTCJWMJAYPX-KBXIAJHMSA-N 1 3 343.418 0.753 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001077151332 758354391 /nfs/dbraw/zinc/35/43/91/758354391.db2.gz NVMSYTYOQDCCBB-DZGCQCFKSA-N 1 3 326.485 0.679 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1)C1CC1 ZINC000996674143 758423386 /nfs/dbraw/zinc/42/33/86/758423386.db2.gz AGHGJDIYGCMGLJ-QGZVFWFLSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000996676377 758445344 /nfs/dbraw/zinc/44/53/44/758445344.db2.gz NGKRUQNLLYAQPH-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001060319875 762633678 /nfs/dbraw/zinc/63/36/78/762633678.db2.gz GVQQMQFBNCBRLD-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC000996710771 758556152 /nfs/dbraw/zinc/55/61/52/758556152.db2.gz FKZMTDNLHKCJQT-UKRRQHHQSA-N 1 3 345.509 0.342 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(OC)nn2)CC1)N(C)C ZINC000996711024 758557092 /nfs/dbraw/zinc/55/70/92/758557092.db2.gz IJMJAOUFGRRGDN-OAHLLOKOSA-N 1 3 335.452 0.906 20 0 ECADHO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000996730539 758664979 /nfs/dbraw/zinc/66/49/79/758664979.db2.gz UOBNTBVAYPNVGX-INIZCTEOSA-N 1 3 334.468 0.863 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022455205 758746809 /nfs/dbraw/zinc/74/68/09/758746809.db2.gz LIJXIWWIHCWDQJ-DFSBOIMQSA-N 1 3 348.472 0.743 20 0 ECADHO COCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049486866 758796595 /nfs/dbraw/zinc/79/65/95/758796595.db2.gz RKLMHDRBBXMCDR-SJORKVTESA-N 1 3 349.479 0.770 20 0 ECADHO CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001022712973 759027567 /nfs/dbraw/zinc/02/75/67/759027567.db2.gz FICRVZCORAPOKQ-JONQDZQNSA-N 1 3 336.480 0.574 20 0 ECADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001047701235 759437281 /nfs/dbraw/zinc/43/72/81/759437281.db2.gz OVIMOUCGEVTOKA-DZKIICNBSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047867544 759627935 /nfs/dbraw/zinc/62/79/35/759627935.db2.gz KFFFLHBAACKWKB-ZIAGYGMSSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@@H](NCc1cnn(C)n1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047975892 759761761 /nfs/dbraw/zinc/76/17/61/759761761.db2.gz PAAORDBGJBQGHM-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1cnn(C)n1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047975892 759761766 /nfs/dbraw/zinc/76/17/66/759761766.db2.gz PAAORDBGJBQGHM-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001050144192 759795180 /nfs/dbraw/zinc/79/51/80/759795180.db2.gz GRADVECIHCHJSJ-YHUYYLMFSA-N 1 3 336.480 0.480 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001050144192 759795184 /nfs/dbraw/zinc/79/51/84/759795184.db2.gz GRADVECIHCHJSJ-YHUYYLMFSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001050222838 759970761 /nfs/dbraw/zinc/97/07/61/759970761.db2.gz NBMRAUBLUHYBAJ-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050236790 760021899 /nfs/dbraw/zinc/02/18/99/760021899.db2.gz RRHBDBGNFJXUAW-UKRRQHHQSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2nncn2C)CC1 ZINC001050366178 760187030 /nfs/dbraw/zinc/18/70/30/760187030.db2.gz QJKILTCAAQTVAD-FPCVCCKLSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2nncn2C)CC1 ZINC001050366178 760187035 /nfs/dbraw/zinc/18/70/35/760187035.db2.gz QJKILTCAAQTVAD-FPCVCCKLSA-N 1 3 348.495 0.777 20 0 ECADHO Cn1cnnc1CNC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001050390064 760219051 /nfs/dbraw/zinc/21/90/51/760219051.db2.gz KZJVKCARPOCIGY-RBSFLKMASA-N 1 3 334.468 0.531 20 0 ECADHO Cn1cnnc1CNC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001050390064 760219057 /nfs/dbraw/zinc/21/90/57/760219057.db2.gz KZJVKCARPOCIGY-RBSFLKMASA-N 1 3 334.468 0.531 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[C@H]1C[NH3+] ZINC000911324745 760273098 /nfs/dbraw/zinc/27/30/98/760273098.db2.gz KPPOVZNCVLKSOA-QKPAOTATSA-N 1 3 336.480 0.563 20 0 ECADHO CN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)CC2)C1=O ZINC001050456571 760293075 /nfs/dbraw/zinc/29/30/75/760293075.db2.gz MGBPZVFSHHUEEU-CABCVRRESA-N 1 3 334.464 0.236 20 0 ECADHO Cc1nnc(CNC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)[nH]1 ZINC001048437084 760526286 /nfs/dbraw/zinc/52/62/86/760526286.db2.gz ACUMAYNFQXZOPC-JSGCOSHPSA-N 1 3 332.452 0.393 20 0 ECADHO O=C(N1CC2(C1)CCN([C@H]1CCNC1=O)CC2)C12CCC[NH+]1CCC2 ZINC001050579963 760526748 /nfs/dbraw/zinc/52/67/48/760526748.db2.gz INMSMUMBXVBBQL-HNNXBMFYSA-N 1 3 346.475 0.428 20 0 ECADHO CC(C)(C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2)[NH+]1CCCC1 ZINC001050617091 760578400 /nfs/dbraw/zinc/57/84/00/760578400.db2.gz HYPYWHNVKCOPGQ-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO CN1CC[C@@H](N2CCC3(CN(C(=O)C4CC[NH+](C)CC4)C3)CC2)C1=O ZINC001050643478 760620349 /nfs/dbraw/zinc/62/03/49/760620349.db2.gz DCUVOQGMFGYDFH-MRXNPFEDSA-N 1 3 348.491 0.483 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663414 760639833 /nfs/dbraw/zinc/63/98/33/760639833.db2.gz UGSCXYWCZKLKQD-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663414 760639839 /nfs/dbraw/zinc/63/98/39/760639839.db2.gz UGSCXYWCZKLKQD-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050731059 760748971 /nfs/dbraw/zinc/74/89/71/760748971.db2.gz SFZVSKPDWFHYIV-CABCVRRESA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050731059 760748978 /nfs/dbraw/zinc/74/89/78/760748978.db2.gz SFZVSKPDWFHYIV-CABCVRRESA-N 1 3 336.480 0.517 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)NC2CC2)C1 ZINC001048587113 760759628 /nfs/dbraw/zinc/75/96/28/760759628.db2.gz FNDKIFOSUACZCM-DIECFANBSA-N 1 3 348.491 0.576 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)NC2CC2)C1 ZINC001048587113 760759635 /nfs/dbraw/zinc/75/96/35/760759635.db2.gz FNDKIFOSUACZCM-DIECFANBSA-N 1 3 348.491 0.576 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753303 760778698 /nfs/dbraw/zinc/77/86/98/760778698.db2.gz HRPCLDWHUZTIBY-HUUCEWRRSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753303 760778703 /nfs/dbraw/zinc/77/87/03/760778703.db2.gz HRPCLDWHUZTIBY-HUUCEWRRSA-N 1 3 348.491 0.530 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050754176 760781916 /nfs/dbraw/zinc/78/19/16/760781916.db2.gz PYADXHVBNLKTBL-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050754176 760781918 /nfs/dbraw/zinc/78/19/18/760781918.db2.gz PYADXHVBNLKTBL-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H](C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1)[NH+]1CCCCCC1 ZINC000991411945 760784104 /nfs/dbraw/zinc/78/41/04/760784104.db2.gz CEIITWULDYIOGB-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1)C1CC1 ZINC000995907968 760798046 /nfs/dbraw/zinc/79/80/46/760798046.db2.gz XQIAAWPPDHNMPP-HUUCEWRRSA-N 1 3 334.468 0.445 20 0 ECADHO CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1N[C@@H]1CCNC1=O ZINC000995964895 760852328 /nfs/dbraw/zinc/85/23/28/760852328.db2.gz HKRZKJJTMWMYNI-HUUCEWRRSA-N 1 3 348.491 0.578 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1)C1CCC1 ZINC000991530583 761404097 /nfs/dbraw/zinc/40/40/97/761404097.db2.gz ZYRNNGQRMRFMSG-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1)C1CCC1 ZINC000991530583 761404100 /nfs/dbraw/zinc/40/41/00/761404100.db2.gz ZYRNNGQRMRFMSG-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1)C1CCC1 ZINC000991530585 761404194 /nfs/dbraw/zinc/40/41/94/761404194.db2.gz ZYRNNGQRMRFMSG-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1)C1CCC1 ZINC000991530585 761404196 /nfs/dbraw/zinc/40/41/96/761404196.db2.gz ZYRNNGQRMRFMSG-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051722488 762795651 /nfs/dbraw/zinc/79/56/51/762795651.db2.gz LXIXBXKAJQGSBX-LPMVOBIJSA-N 1 3 335.448 0.077 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@@](C)(C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001046903085 763351131 /nfs/dbraw/zinc/35/11/31/763351131.db2.gz OAFSVAUPSSUCRU-KDOFPFPSSA-N 1 3 336.480 0.435 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046904992 763353792 /nfs/dbraw/zinc/35/37/92/763353792.db2.gz YGPPIHPTTUJLPR-YOEHRIQHSA-N 1 3 333.436 0.401 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000940526706 763366298 /nfs/dbraw/zinc/36/62/98/763366298.db2.gz YYYPRGWCDBYTOA-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000940526706 763366303 /nfs/dbraw/zinc/36/63/03/763366303.db2.gz YYYPRGWCDBYTOA-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(NC[C@@H]1CN(CCCO)CCC1(F)F)[C@H]1C[NH+]2CCC1CC2 ZINC001046938781 763422876 /nfs/dbraw/zinc/42/28/76/763422876.db2.gz GEFWFPDDLQWNRE-CABCVRRESA-N 1 3 345.434 0.784 20 0 ECADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001014956491 763542253 /nfs/dbraw/zinc/54/22/53/763542253.db2.gz VELXZAOAPXXYQT-SJORKVTESA-N 1 3 344.459 0.960 20 0 ECADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001014956491 763542264 /nfs/dbraw/zinc/54/22/64/763542264.db2.gz VELXZAOAPXXYQT-SJORKVTESA-N 1 3 344.459 0.960 20 0 ECADHO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001014956491 763542273 /nfs/dbraw/zinc/54/22/73/763542273.db2.gz VELXZAOAPXXYQT-SJORKVTESA-N 1 3 344.459 0.960 20 0 ECADHO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001014956491 763542278 /nfs/dbraw/zinc/54/22/78/763542278.db2.gz VELXZAOAPXXYQT-SJORKVTESA-N 1 3 344.459 0.960 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cccc(C(=O)NC)c2)CC[N@@H+]1C ZINC001127701135 763595775 /nfs/dbraw/zinc/59/57/75/763595775.db2.gz KBDJQPKJJAKUBI-DLBZAZTESA-N 1 3 346.475 0.982 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cccc(C(=O)NC)c2)CC[N@H+]1C ZINC001127701135 763595783 /nfs/dbraw/zinc/59/57/83/763595783.db2.gz KBDJQPKJJAKUBI-DLBZAZTESA-N 1 3 346.475 0.982 20 0 ECADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](N2CCN(CC3CC3)CC2)C1 ZINC001052027314 763620745 /nfs/dbraw/zinc/62/07/45/763620745.db2.gz DPDMRMPFLKPWRA-RBUKOAKNSA-N 1 3 346.519 0.957 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001054736782 768210585 /nfs/dbraw/zinc/21/05/85/768210585.db2.gz NUDNINQUENACTH-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000991895253 764460002 /nfs/dbraw/zinc/46/00/02/764460002.db2.gz RSFLWJRDLAOUJD-DLBZAZTESA-N 1 3 348.491 0.530 20 0 ECADHO COC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047504214 764536686 /nfs/dbraw/zinc/53/66/86/764536686.db2.gz GFQAPVRNQMLJJH-QEJZJMRPSA-N 1 3 339.436 0.493 20 0 ECADHO COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047504214 764536699 /nfs/dbraw/zinc/53/66/99/764536699.db2.gz GFQAPVRNQMLJJH-QEJZJMRPSA-N 1 3 339.436 0.493 20 0 ECADHO CO[C@H](C)CN1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553777 764677183 /nfs/dbraw/zinc/67/71/83/764677183.db2.gz XDFJZLNMMGRRNT-KBMXLJTQSA-N 1 3 327.469 0.257 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619882 764863846 /nfs/dbraw/zinc/86/38/46/764863846.db2.gz KAORAPYXXTWQGE-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619886 764864158 /nfs/dbraw/zinc/86/41/58/764864158.db2.gz KAORAPYXXTWQGE-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(CCc2ccccc2)C[C@@H]1O ZINC001047627942 764926558 /nfs/dbraw/zinc/92/65/58/764926558.db2.gz ARLAQKHENHHKIC-SQNIBIBYSA-N 1 3 331.460 0.684 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CCc2ccccc2)C[C@@H]1O ZINC001047627942 764926564 /nfs/dbraw/zinc/92/65/64/764926564.db2.gz ARLAQKHENHHKIC-SQNIBIBYSA-N 1 3 331.460 0.684 20 0 ECADHO CNC(=O)[C@H](C)N1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766444 765083330 /nfs/dbraw/zinc/08/33/30/765083330.db2.gz DABOXJGZMVEEKL-HOCLYGCPSA-N 1 3 338.496 0.824 20 0 ECADHO CNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766443 765083866 /nfs/dbraw/zinc/08/38/66/765083866.db2.gz DABOXJGZMVEEKL-GOEBONIOSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCC[C@@H](N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001052871699 765268144 /nfs/dbraw/zinc/26/81/44/765268144.db2.gz NSMJSFDMKDVUEU-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001015794441 765332470 /nfs/dbraw/zinc/33/24/70/765332470.db2.gz GTGGPDIYHWKIEW-IAGOWNOFSA-N 1 3 349.479 0.166 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCN(C[C@H]3CCCCO3)C2)cn1 ZINC001015828276 765391271 /nfs/dbraw/zinc/39/12/71/765391271.db2.gz ZQXFIWMKWLHBLX-IAGOWNOFSA-N 1 3 349.479 0.818 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001077496865 765671150 /nfs/dbraw/zinc/67/11/50/765671150.db2.gz KEDJTUUKXBFLCO-SOUVJXGZSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001077496865 765671158 /nfs/dbraw/zinc/67/11/58/765671158.db2.gz KEDJTUUKXBFLCO-SOUVJXGZSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N(C)C ZINC001127344742 768346951 /nfs/dbraw/zinc/34/69/51/768346951.db2.gz RTYBTZONRSEABD-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N(C)C ZINC001127344742 768346957 /nfs/dbraw/zinc/34/69/57/768346957.db2.gz RTYBTZONRSEABD-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016531209 766446742 /nfs/dbraw/zinc/44/67/42/766446742.db2.gz MVMWMAXBUXNNKX-UHFFFAOYSA-N 1 3 334.464 0.284 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCn2cncn2)C1 ZINC001045891275 766472927 /nfs/dbraw/zinc/47/29/27/766472927.db2.gz KCKODRHGHVZESY-XHSDSOJGSA-N 1 3 332.452 0.295 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCn2cncn2)C1 ZINC001045891275 766472935 /nfs/dbraw/zinc/47/29/35/766472935.db2.gz KCKODRHGHVZESY-XHSDSOJGSA-N 1 3 332.452 0.295 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCN2CCNC2=O)C1 ZINC001045891326 766474270 /nfs/dbraw/zinc/47/42/70/766474270.db2.gz MEZVXSXDLZKTKL-OAGGEKHMSA-N 1 3 349.479 0.029 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCN2CCNC2=O)C1 ZINC001045891326 766474273 /nfs/dbraw/zinc/47/42/73/766474273.db2.gz MEZVXSXDLZKTKL-OAGGEKHMSA-N 1 3 349.479 0.029 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN3CC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000992399286 766481901 /nfs/dbraw/zinc/48/19/01/766481901.db2.gz HFVDXVSGJVPWCH-VNQPRFMTSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN3CC[C@@H](C)C3)C2)CC[N@H+]1C ZINC000992399286 766481905 /nfs/dbraw/zinc/48/19/05/766481905.db2.gz HFVDXVSGJVPWCH-VNQPRFMTSA-N 1 3 336.480 0.386 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)NCc1ccco1 ZINC001127254353 766508466 /nfs/dbraw/zinc/50/84/66/766508466.db2.gz DOHRQCOFIQMRRK-GJZGRUSLSA-N 1 3 348.447 0.476 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)NCc1ccco1 ZINC001127254353 766508468 /nfs/dbraw/zinc/50/84/68/766508468.db2.gz DOHRQCOFIQMRRK-GJZGRUSLSA-N 1 3 348.447 0.476 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001031715329 766716067 /nfs/dbraw/zinc/71/60/67/766716067.db2.gz RNLNAJNWSQUPGB-IAGOWNOFSA-N 1 3 349.479 0.166 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001031715329 766716073 /nfs/dbraw/zinc/71/60/73/766716073.db2.gz RNLNAJNWSQUPGB-IAGOWNOFSA-N 1 3 349.479 0.166 20 0 ECADHO C[C@@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035083 766717379 /nfs/dbraw/zinc/71/73/79/766717379.db2.gz DALXAOVOWBQRNW-WBVHZDCISA-N 1 3 338.496 0.070 20 0 ECADHO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035083 766717384 /nfs/dbraw/zinc/71/73/84/766717384.db2.gz DALXAOVOWBQRNW-WBVHZDCISA-N 1 3 338.496 0.070 20 0 ECADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCCF)C2)CC1)N(C)C ZINC001046039090 766741446 /nfs/dbraw/zinc/74/14/46/766741446.db2.gz RMRQLHGKAJLQKR-HZPDHXFCSA-N 1 3 328.476 0.905 20 0 ECADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CCCF)C2)CC1)N(C)C ZINC001046039090 766741449 /nfs/dbraw/zinc/74/14/49/766741449.db2.gz RMRQLHGKAJLQKR-HZPDHXFCSA-N 1 3 328.476 0.905 20 0 ECADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127261255 766959205 /nfs/dbraw/zinc/95/92/05/766959205.db2.gz IINCKDPRRDCIHD-HOCLYGCPSA-N 1 3 338.496 0.871 20 0 ECADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127261255 766959208 /nfs/dbraw/zinc/95/92/08/766959208.db2.gz IINCKDPRRDCIHD-HOCLYGCPSA-N 1 3 338.496 0.871 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)[C@H](C)C1 ZINC001106910570 767148224 /nfs/dbraw/zinc/14/82/24/767148224.db2.gz DTYZRZCASIYWRT-OAGGEKHMSA-N 1 3 348.495 0.791 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccn(C)c(=O)c3)C2)CC[N@@H+]1C ZINC001046330370 767152480 /nfs/dbraw/zinc/15/24/80/767152480.db2.gz BHESPQLQTBNJLF-OGWOLHLISA-N 1 3 346.475 0.806 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccn(C)c(=O)c3)C2)CC[N@H+]1C ZINC001046330370 767152483 /nfs/dbraw/zinc/15/24/83/767152483.db2.gz BHESPQLQTBNJLF-OGWOLHLISA-N 1 3 346.475 0.806 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1C ZINC001127643677 767389570 /nfs/dbraw/zinc/38/95/70/767389570.db2.gz GKYMPHCMPHJRBE-RHSMWYFYSA-N 1 3 346.475 0.934 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc(C(=O)N(C)C)cc2)CC[N@H+]1C ZINC001127643677 767389581 /nfs/dbraw/zinc/38/95/81/767389581.db2.gz GKYMPHCMPHJRBE-RHSMWYFYSA-N 1 3 346.475 0.934 20 0 ECADHO COC[C@H](C)N1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046694903 767496385 /nfs/dbraw/zinc/49/63/85/767496385.db2.gz MKVZPNPYQXPCHM-YOEHRIQHSA-N 1 3 337.468 0.674 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCn3cncn3)C2)C1)N(C)C ZINC001054152446 767747968 /nfs/dbraw/zinc/74/79/68/767747968.db2.gz DVOCITYEPFUWAX-AEFFLSMTSA-N 1 3 348.495 0.933 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCn3cncn3)C2)C1)N(C)C ZINC001054152446 767747974 /nfs/dbraw/zinc/74/79/74/767747974.db2.gz DVOCITYEPFUWAX-AEFFLSMTSA-N 1 3 348.495 0.933 20 0 ECADHO NC(=O)CN1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054159509 767755734 /nfs/dbraw/zinc/75/57/34/767755734.db2.gz KBEMMVXSQRPFFF-GOSISDBHSA-N 1 3 341.415 0.748 20 0 ECADHO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]32)nn1 ZINC000992903798 767767155 /nfs/dbraw/zinc/76/71/55/767767155.db2.gz CTGQLBUTLMVPKC-HYVNUMGLSA-N 1 3 346.479 0.628 20 0 ECADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666314 768579082 /nfs/dbraw/zinc/57/90/82/768579082.db2.gz KHCZXMXGMKXZFE-ARFHVFGLSA-N 1 3 338.496 0.537 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1 ZINC001106779680 768935592 /nfs/dbraw/zinc/93/55/92/768935592.db2.gz UQFYWQPCVLVNFF-HUUCEWRRSA-N 1 3 326.485 0.491 20 0 ECADHO Cc1csc(=O)n1CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001018635067 769686938 /nfs/dbraw/zinc/68/69/38/769686938.db2.gz MXOBFOMXLOPXCK-KBPBESRZSA-N 1 3 338.477 0.503 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000993828877 769695672 /nfs/dbraw/zinc/69/56/72/769695672.db2.gz GMQIPYOFDZOTOM-KRWDZBQOSA-N 1 3 344.459 0.783 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000993870491 769820521 /nfs/dbraw/zinc/82/05/21/769820521.db2.gz NTGKKLAYWSTJKL-HOTGVXAUSA-N 1 3 338.496 0.774 20 0 ECADHO COCCN1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993987148 769967080 /nfs/dbraw/zinc/96/70/80/769967080.db2.gz LWGJUWVMPURWGN-ZBFHGGJFSA-N 1 3 337.468 0.674 20 0 ECADHO C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCn1cccn1 ZINC000994250820 770433576 /nfs/dbraw/zinc/43/35/76/770433576.db2.gz JGCFWWBEWIHXHW-JKSUJKDBSA-N 1 3 331.464 0.948 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001018999134 770528956 /nfs/dbraw/zinc/52/89/56/770528956.db2.gz HPETUAKTCPETTD-DZKIICNBSA-N 1 3 334.468 0.542 20 0 ECADHO CO[C@H](CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083750415 770581555 /nfs/dbraw/zinc/58/15/55/770581555.db2.gz VXZHIISJMAGPPC-IXDOHACOSA-N 1 3 339.480 0.305 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1)N(C)C ZINC001019032283 770609315 /nfs/dbraw/zinc/60/93/15/770609315.db2.gz OSORWNNCLRMUDX-QLFBSQMISA-N 1 3 345.509 0.342 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2)N(C)C ZINC001019152099 770938769 /nfs/dbraw/zinc/93/87/69/770938769.db2.gz UZULQJVWQKZSCQ-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2)N(C)C ZINC001019152099 770938773 /nfs/dbraw/zinc/93/87/73/770938773.db2.gz UZULQJVWQKZSCQ-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H](NCc2cncs2)C1 ZINC001019169885 770985685 /nfs/dbraw/zinc/98/56/85/770985685.db2.gz PAEORJRRDNOPBG-INCLHDFMSA-N 1 3 348.472 0.697 20 0 ECADHO O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H](NCc2cncs2)C1 ZINC001019169885 770985690 /nfs/dbraw/zinc/98/56/90/770985690.db2.gz PAEORJRRDNOPBG-INCLHDFMSA-N 1 3 348.472 0.697 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056456940 771288842 /nfs/dbraw/zinc/28/88/42/771288842.db2.gz WOQWFGSQHJRVKG-PMPSAXMXSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCCN2C)C3)C1 ZINC001019441606 771290402 /nfs/dbraw/zinc/29/04/02/771290402.db2.gz PCIZTHOYDBFEJR-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCCN2C)C3)C1 ZINC001019441606 771290406 /nfs/dbraw/zinc/29/04/06/771290406.db2.gz PCIZTHOYDBFEJR-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)C2 ZINC001019443575 771295648 /nfs/dbraw/zinc/29/56/48/771295648.db2.gz SICDCYODXRIWEG-HIFRSBDPSA-N 1 3 345.447 0.211 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)C2 ZINC001019443575 771295652 /nfs/dbraw/zinc/29/56/52/771295652.db2.gz SICDCYODXRIWEG-HIFRSBDPSA-N 1 3 345.447 0.211 20 0 ECADHO CC(C)(C)N1CC[C@@H](NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480065 771315125 /nfs/dbraw/zinc/31/51/25/771315125.db2.gz HUBMOWMJDGMLKS-HUUCEWRRSA-N 1 3 336.480 0.433 20 0 ECADHO O=C(NCCN[C@H]1CCN(C2CCC2)C1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481489 771318873 /nfs/dbraw/zinc/31/88/73/771318873.db2.gz UIFIQFCSKSKRKE-CVEARBPZSA-N 1 3 334.464 0.187 20 0 ECADHO C[NH+](C)CCC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001056716695 771548445 /nfs/dbraw/zinc/54/84/45/771548445.db2.gz DOTOULARJNHUGA-DZGCQCFKSA-N 1 3 333.436 0.353 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001019774827 771783619 /nfs/dbraw/zinc/78/36/19/771783619.db2.gz JUEWVIONWYUWKT-STQMWFEESA-N 1 3 335.404 0.291 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001019774827 771783622 /nfs/dbraw/zinc/78/36/22/771783622.db2.gz JUEWVIONWYUWKT-STQMWFEESA-N 1 3 335.404 0.291 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020145802 772215393 /nfs/dbraw/zinc/21/53/93/772215393.db2.gz QJCMRYIBHMYCJQ-DZKIICNBSA-N 1 3 334.468 0.908 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020145802 772215395 /nfs/dbraw/zinc/21/53/95/772215395.db2.gz QJCMRYIBHMYCJQ-DZKIICNBSA-N 1 3 334.468 0.908 20 0 ECADHO Cc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CN4CCC[C@H]4CO3)C2)c1 ZINC001020178830 772248628 /nfs/dbraw/zinc/24/86/28/772248628.db2.gz GBVJTSOYHDGYNI-XSLAGTTESA-N 1 3 344.459 0.990 20 0 ECADHO Cc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CN4CCC[C@H]4CO3)C2)c1 ZINC001020178829 772249001 /nfs/dbraw/zinc/24/90/01/772249001.db2.gz GBVJTSOYHDGYNI-XLAORIBOSA-N 1 3 344.459 0.990 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179003 772249944 /nfs/dbraw/zinc/24/99/44/772249944.db2.gz KVUGQIJIXPHMOQ-JKQORVJESA-N 1 3 348.447 0.891 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020179003 772249947 /nfs/dbraw/zinc/24/99/47/772249947.db2.gz KVUGQIJIXPHMOQ-JKQORVJESA-N 1 3 348.447 0.891 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccns2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020179362 772251828 /nfs/dbraw/zinc/25/18/28/772251828.db2.gz YIMOEUVVXJQSIT-BHPKHCPMSA-N 1 3 336.461 0.743 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccns2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001020179362 772251832 /nfs/dbraw/zinc/25/18/32/772251832.db2.gz YIMOEUVVXJQSIT-BHPKHCPMSA-N 1 3 336.461 0.743 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccns2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001020179361 772251961 /nfs/dbraw/zinc/25/19/61/772251961.db2.gz YIMOEUVVXJQSIT-ABHRYQDASA-N 1 3 336.461 0.743 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccns2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001020179361 772251963 /nfs/dbraw/zinc/25/19/63/772251963.db2.gz YIMOEUVVXJQSIT-ABHRYQDASA-N 1 3 336.461 0.743 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749677 774575991 /nfs/dbraw/zinc/57/59/91/774575991.db2.gz KMJBVTZHZMMCFC-DZGCQCFKSA-N 1 3 330.436 0.898 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001044959339 774768983 /nfs/dbraw/zinc/76/89/83/774768983.db2.gz FAPKGJPEYYJOEK-IRXDYDNUSA-N 1 3 344.459 0.960 20 0 ECADHO CN1CC[C@H](NC[C@@H]2CCCN2C(=O)C23CCC[NH+](CCC2)C3)C1=O ZINC001045089056 774958820 /nfs/dbraw/zinc/95/88/20/774958820.db2.gz YYZJMZGMHJMEDM-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001045251298 775232791 /nfs/dbraw/zinc/23/27/91/775232791.db2.gz MWCLNWKGSWCXLI-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO COCC[NH+]1CCC(C)(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001045444729 775616892 /nfs/dbraw/zinc/61/68/92/775616892.db2.gz UXJBQWCMCUQKQU-HUUCEWRRSA-N 1 3 325.453 0.467 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)CC1 ZINC001070046619 790442240 /nfs/dbraw/zinc/44/22/40/790442240.db2.gz GOJDWWYZIKJZBX-SJORKVTESA-N 1 3 346.479 0.762 20 0 ECADHO COC[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717433 776753939 /nfs/dbraw/zinc/75/39/39/776753939.db2.gz ILYRNRLJNZMBTM-IIAWOOMASA-N 1 3 337.468 0.530 20 0 ECADHO CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001079952055 777140148 /nfs/dbraw/zinc/14/01/48/777140148.db2.gz RGZZHQVNCURUEP-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001080141328 777453660 /nfs/dbraw/zinc/45/36/60/777453660.db2.gz DZLKRRFYQKVBMQ-ZDUSSCGKSA-N 1 3 333.436 0.353 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001080141328 777453664 /nfs/dbraw/zinc/45/36/64/777453664.db2.gz DZLKRRFYQKVBMQ-ZDUSSCGKSA-N 1 3 333.436 0.353 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC001080141638 777453859 /nfs/dbraw/zinc/45/38/59/777453859.db2.gz NRNBWNXHOJFFSP-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC001080141638 777453865 /nfs/dbraw/zinc/45/38/65/777453865.db2.gz NRNBWNXHOJFFSP-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC001080141639 777454668 /nfs/dbraw/zinc/45/46/68/777454668.db2.gz NRNBWNXHOJFFSP-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC001080141639 777454672 /nfs/dbraw/zinc/45/46/72/777454672.db2.gz NRNBWNXHOJFFSP-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)C[N@@H+]1CCC[C@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080558692 778030584 /nfs/dbraw/zinc/03/05/84/778030584.db2.gz ZAYSPTFFSOHXMQ-OAHLLOKOSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)C[N@H+]1CCC[C@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080558692 778030592 /nfs/dbraw/zinc/03/05/92/778030592.db2.gz ZAYSPTFFSOHXMQ-OAHLLOKOSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)CN1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080561273 778043558 /nfs/dbraw/zinc/04/35/58/778043558.db2.gz QWPKUPXROAMWRN-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)CN1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080561273 778043569 /nfs/dbraw/zinc/04/35/69/778043569.db2.gz QWPKUPXROAMWRN-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCCO2)cn1 ZINC001078508872 780054035 /nfs/dbraw/zinc/05/40/35/780054035.db2.gz ZYYULVKYAHRTGG-DLBZAZTESA-N 1 3 347.463 0.444 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCCO2)cn1 ZINC001078508872 780054045 /nfs/dbraw/zinc/05/40/45/780054045.db2.gz ZYYULVKYAHRTGG-DLBZAZTESA-N 1 3 347.463 0.444 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001078884814 780582681 /nfs/dbraw/zinc/58/26/81/780582681.db2.gz OXBBBSBJMTZABA-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077618492 781359911 /nfs/dbraw/zinc/35/99/11/781359911.db2.gz KDQDCZQJUHJEFL-DJIMGWMZSA-N 1 3 339.480 0.306 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 ZINC001041445647 781532995 /nfs/dbraw/zinc/53/29/95/781532995.db2.gz MCASRRQFYDTZLH-FZKQIMNGSA-N 1 3 341.415 0.746 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 ZINC001041445647 781533001 /nfs/dbraw/zinc/53/30/01/781533001.db2.gz MCASRRQFYDTZLH-FZKQIMNGSA-N 1 3 341.415 0.746 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001070407221 783990712 /nfs/dbraw/zinc/99/07/12/783990712.db2.gz AHISPEPPZZDPDJ-ZBFHGGJFSA-N 1 3 349.479 0.680 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001070407221 783990719 /nfs/dbraw/zinc/99/07/19/783990719.db2.gz AHISPEPPZZDPDJ-ZBFHGGJFSA-N 1 3 349.479 0.680 20 0 ECADHO Cn1cnc([C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2[NH2+]CCO)c1 ZINC001070533896 784238614 /nfs/dbraw/zinc/23/86/14/784238614.db2.gz WMRDMKWJHQHZCK-GOEBONIOSA-N 1 3 349.479 0.028 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071086121 784528184 /nfs/dbraw/zinc/52/81/84/784528184.db2.gz QBZMBDDVUSZDGK-LESCRADOSA-N 1 3 339.480 0.449 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001071346472 784987180 /nfs/dbraw/zinc/98/71/80/784987180.db2.gz RPIYJMQYADXFTR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001071346472 784987184 /nfs/dbraw/zinc/98/71/84/784987184.db2.gz RPIYJMQYADXFTR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001072477844 786241732 /nfs/dbraw/zinc/24/17/32/786241732.db2.gz CCTGXFLCGCBJLS-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1NC(=O)CC[NH+](C)C ZINC001074199135 786430235 /nfs/dbraw/zinc/43/02/35/786430235.db2.gz XWQGTTIJOQVKRB-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001073633946 786827080 /nfs/dbraw/zinc/82/70/80/786827080.db2.gz KAXBXEQBBCGTLQ-SJORKVTESA-N 1 3 339.480 0.593 20 0 ECADHO O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001073633946 786827092 /nfs/dbraw/zinc/82/70/92/786827092.db2.gz KAXBXEQBBCGTLQ-SJORKVTESA-N 1 3 339.480 0.593 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001073740325 787092686 /nfs/dbraw/zinc/09/26/86/787092686.db2.gz DMTQMYGJEGWSNI-IAGOWNOFSA-N 1 3 341.496 0.698 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001073740325 787092696 /nfs/dbraw/zinc/09/26/96/787092696.db2.gz DMTQMYGJEGWSNI-IAGOWNOFSA-N 1 3 341.496 0.698 20 0 ECADHO C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074561975 787262741 /nfs/dbraw/zinc/26/27/41/787262741.db2.gz RSCRLVLXJNIGLR-BPUTZDHNSA-N 1 3 332.448 0.559 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)CN1CCC(C)CC1 ZINC001074993714 788685741 /nfs/dbraw/zinc/68/57/41/788685741.db2.gz VJKBFNIQOHQNAV-JYJNAYRXSA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)C1=O ZINC001075044568 788790220 /nfs/dbraw/zinc/79/02/20/788790220.db2.gz YNLVAZPFMFHBLT-SOUVJXGZSA-N 1 3 334.464 0.282 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C3)C2)C1=O ZINC001072815219 788870681 /nfs/dbraw/zinc/87/06/81/788870681.db2.gz UFFWCADYSNSTTI-JKSUJKDBSA-N 1 3 348.491 0.482 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001075155882 788994896 /nfs/dbraw/zinc/99/48/96/788994896.db2.gz OFKGAHRQCJZJCK-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001075168099 789013843 /nfs/dbraw/zinc/01/38/43/789013843.db2.gz UMBOPNPORJJLCE-BASYENTBSA-N 1 3 338.496 0.632 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001075189478 789036869 /nfs/dbraw/zinc/03/68/69/789036869.db2.gz RXEBUZXTMCBYBL-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001075189478 789036880 /nfs/dbraw/zinc/03/68/80/789036880.db2.gz RXEBUZXTMCBYBL-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[NH+](C)CCC(=O)N1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001069785129 790031906 /nfs/dbraw/zinc/03/19/06/790031906.db2.gz RTEBYBLVGDMOGC-GOSISDBHSA-N 1 3 347.463 0.745 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)CCC[NH+](C)C ZINC001067877691 792410677 /nfs/dbraw/zinc/41/06/77/792410677.db2.gz OIIWNZRWYUBVNN-UHFFFAOYSA-N 1 3 328.501 0.977 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001267428984 837399584 /nfs/dbraw/zinc/39/95/84/837399584.db2.gz JTTGTWZLDKUMQX-NEPJUHHUSA-N 1 3 325.375 0.690 20 0 ECADHO CN(CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(=O)Cc1c[nH]cn1 ZINC001408633831 837597700 /nfs/dbraw/zinc/59/77/00/837597700.db2.gz YPORGCPFPHPBBQ-DZGCQCFKSA-N 1 3 335.452 0.647 20 0 ECADHO CC(C)N(CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC(N)=O ZINC001267510491 837602465 /nfs/dbraw/zinc/60/24/65/837602465.db2.gz RPPFZOCAYNCIQR-OAHLLOKOSA-N 1 3 326.485 0.953 20 0 ECADHO CCCCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266545049 835966842 /nfs/dbraw/zinc/96/68/42/835966842.db2.gz DEDWLHXFEMYNPH-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C ZINC001266733397 836214959 /nfs/dbraw/zinc/21/49/59/836214959.db2.gz UURPESWUVDTDTM-RYUDHWBXSA-N 1 3 327.391 0.934 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CCOCCO)C2)CCC1 ZINC001266791248 836309078 /nfs/dbraw/zinc/30/90/78/836309078.db2.gz XECXTPSUSPVSFS-HNNXBMFYSA-N 1 3 327.469 0.308 20 0 ECADHO CN(CCNCC(=O)NCC(C)(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001266827274 836352399 /nfs/dbraw/zinc/35/23/99/836352399.db2.gz QHMLZARFUKDESO-UHFFFAOYSA-N 1 3 326.485 0.539 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCCS(C)(=O)=O)N(C)C ZINC001266869854 836414810 /nfs/dbraw/zinc/41/48/10/836414810.db2.gz CRILWWUHKZXHCE-HUUCEWRRSA-N 1 3 347.525 0.732 20 0 ECADHO C[C@@H]([NH2+]CCOCCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001267221992 837016352 /nfs/dbraw/zinc/01/63/52/837016352.db2.gz CRCKQVUTTBBLPN-OAHLLOKOSA-N 1 3 327.469 0.308 20 0 ECADHO CCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267607211 837949822 /nfs/dbraw/zinc/94/98/22/837949822.db2.gz QRAKLCMNQQLGMN-OWCLPIDISA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C(=O)N(CC)CCNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001408769955 838378506 /nfs/dbraw/zinc/37/85/06/838378506.db2.gz JVFONPVBNVFALV-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000354660041 299087958 /nfs/dbraw/zinc/08/79/58/299087958.db2.gz KRKVQGHKHGYYHH-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000354690752 299097589 /nfs/dbraw/zinc/09/75/89/299097589.db2.gz MAWQZADJJSNFGQ-INIZCTEOSA-N 1 3 348.447 0.824 20 0 ECADHO CNC(=O)CCN(C)Cc1ccc(C[N@H+](C)CCC(=O)NC)cc1 ZINC000171670926 529857042 /nfs/dbraw/zinc/85/70/42/529857042.db2.gz WIZUSEPJVSHARQ-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO CNC(=O)CCN(C)Cc1ccc(C[N@@H+](C)CCC(=O)NC)cc1 ZINC000171670926 529857043 /nfs/dbraw/zinc/85/70/43/529857043.db2.gz WIZUSEPJVSHARQ-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)C(C)(C)C[NH+](C)C ZINC000354801937 299132049 /nfs/dbraw/zinc/13/20/49/299132049.db2.gz ZGJYGJNMPNNWOJ-CYBMUJFWSA-N 1 3 326.485 0.679 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423411540 209742502 /nfs/dbraw/zinc/74/25/02/209742502.db2.gz FXXKJLAWJKFCFX-UHFFFAOYSA-N 1 3 326.485 0.764 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423418632 283231764 /nfs/dbraw/zinc/23/17/64/283231764.db2.gz VAUCSFHRLXXSCW-KRWDZBQOSA-N 1 3 326.485 0.764 20 0 ECADHO CC1(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC[NH2+]CC1 ZINC000420097203 209304192 /nfs/dbraw/zinc/30/41/92/209304192.db2.gz BVHZRSIJOCIGKM-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO [NH3+]CCCNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000419836101 209218306 /nfs/dbraw/zinc/21/83/06/209218306.db2.gz XCMVELBNWVCDHP-UHFFFAOYSA-N 1 3 346.475 0.619 20 0 ECADHO NCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419814158 209212107 /nfs/dbraw/zinc/21/21/07/209212107.db2.gz HXIKCAFFKCYLHQ-IRXDYDNUSA-N 1 3 344.459 0.574 20 0 ECADHO NCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419814158 209212111 /nfs/dbraw/zinc/21/21/11/209212111.db2.gz HXIKCAFFKCYLHQ-IRXDYDNUSA-N 1 3 344.459 0.574 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000419797084 209207457 /nfs/dbraw/zinc/20/74/57/209207457.db2.gz QZZRCZPEQMBMPR-UHFFFAOYSA-N 1 3 348.447 0.776 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C(C)C ZINC000419795297 209205951 /nfs/dbraw/zinc/20/59/51/209205951.db2.gz JOARFKOMHQQCHP-KGLIPLIRSA-N 1 3 342.484 0.451 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000419788024 209204192 /nfs/dbraw/zinc/20/41/92/209204192.db2.gz YUALGNPGJCBIKZ-CYBMUJFWSA-N 1 3 332.448 0.753 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000419778277 209203672 /nfs/dbraw/zinc/20/36/72/209203672.db2.gz OMMWFWAPOPSHDE-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419721734 209188072 /nfs/dbraw/zinc/18/80/72/209188072.db2.gz KVUHXDRJGIEDHS-UHFFFAOYSA-N 1 3 332.448 0.493 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419698522 209175921 /nfs/dbraw/zinc/17/59/21/209175921.db2.gz PRFBDSXPJSJAET-HUUCEWRRSA-N 1 3 326.485 0.585 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)C1CCCC1 ZINC000419698178 209175966 /nfs/dbraw/zinc/17/59/66/209175966.db2.gz SCHVBWWKSJZUHX-ZBFHGGJFSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000419665443 209163798 /nfs/dbraw/zinc/16/37/98/209163798.db2.gz OHXSBLNJUZMEGV-INIZCTEOSA-N 1 3 336.480 0.753 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419663472 209162795 /nfs/dbraw/zinc/16/27/95/209162795.db2.gz QAZDTJGLQWAAHQ-INMHGKMJSA-N 1 3 346.475 0.867 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000419653566 209158475 /nfs/dbraw/zinc/15/84/75/209158475.db2.gz YPCYZPYYULBKMV-KRWDZBQOSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000419648994 209157820 /nfs/dbraw/zinc/15/78/20/209157820.db2.gz LTBWWMORGRLZQP-HIFRSBDPSA-N 1 3 332.448 0.792 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419591445 209134544 /nfs/dbraw/zinc/13/45/44/209134544.db2.gz VIVZJQBULQKONY-SWLSCSKDSA-N 1 3 330.498 0.030 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)[C@H]1C[NH3+] ZINC000419584875 209132764 /nfs/dbraw/zinc/13/27/64/209132764.db2.gz MNYQZJJOMMIBKI-DVOMOZLQSA-N 1 3 342.509 0.126 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000419555748 209125556 /nfs/dbraw/zinc/12/55/56/209125556.db2.gz HUGDHYCDOUJZQN-SCRDCRAPSA-N 1 3 338.477 0.711 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CNC2)C(C)(C)C[NH+](C)C ZINC000419548206 209123334 /nfs/dbraw/zinc/12/33/34/209123334.db2.gz RCIBHCDSGMTJOH-CYBMUJFWSA-N 1 3 346.475 0.999 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000448244923 211234378 /nfs/dbraw/zinc/23/43/78/211234378.db2.gz WMDLMRKNRIXDKF-CVEARBPZSA-N 1 3 332.448 0.780 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000448244923 211234381 /nfs/dbraw/zinc/23/43/81/211234381.db2.gz WMDLMRKNRIXDKF-CVEARBPZSA-N 1 3 332.448 0.780 20 0 ECADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444265529 211065340 /nfs/dbraw/zinc/06/53/40/211065340.db2.gz GOCXSPRLLRMAPO-OAHLLOKOSA-N 1 3 332.448 0.638 20 0 ECADHO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@H]3CCN3)cc2)CC1 ZINC000444156819 211053332 /nfs/dbraw/zinc/05/33/32/211053332.db2.gz CDOQRMQPKIAZKQ-MRXNPFEDSA-N 1 3 330.432 0.727 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCn4cncn4)C3)C2)C1 ZINC001041677937 781971924 /nfs/dbraw/zinc/97/19/24/781971924.db2.gz DZEHULLPLASNEM-AEFFLSMTSA-N 1 3 346.479 0.544 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCn4cncn4)C3)C2)C1 ZINC001041677937 781971934 /nfs/dbraw/zinc/97/19/34/781971934.db2.gz DZEHULLPLASNEM-AEFFLSMTSA-N 1 3 346.479 0.544 20 0 ECADHO COCCN(CCN(C)C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173949417 207660481 /nfs/dbraw/zinc/66/04/81/207660481.db2.gz KXJUTKUMGBPNOR-UHFFFAOYSA-N 1 3 326.445 0.487 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416005765 285024431 /nfs/dbraw/zinc/02/44/31/285024431.db2.gz KEXCZHRMAZRHIS-MNOVXSKESA-N 1 3 326.363 0.676 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000411028974 208057021 /nfs/dbraw/zinc/05/70/21/208057021.db2.gz PQEYBEABMRGSQF-HNNXBMFYSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430652037 210395409 /nfs/dbraw/zinc/39/54/09/210395409.db2.gz WTYVEMCGLUCSIS-HRCADAONSA-N 1 3 338.496 0.953 20 0 ECADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000430558364 210380640 /nfs/dbraw/zinc/38/06/40/210380640.db2.gz ABZPZVSCQQLVLH-OAHLLOKOSA-N 1 3 326.485 0.369 20 0 ECADHO CNC(=O)[C@@]1(C)CCN(CC(C)C[N@@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430264816 210363417 /nfs/dbraw/zinc/36/34/17/210363417.db2.gz XZUWQUDUVSHNJB-ROUUACIJSA-N 1 3 338.496 0.539 20 0 ECADHO CNC(=O)[C@@]1(C)CCN(CC(C)C[N@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430264816 210363420 /nfs/dbraw/zinc/36/34/20/210363420.db2.gz XZUWQUDUVSHNJB-ROUUACIJSA-N 1 3 338.496 0.539 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000419171581 209010996 /nfs/dbraw/zinc/01/09/96/209010996.db2.gz PHTGUTZXWDDRHU-GJZGRUSLSA-N 1 3 326.485 0.857 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000419171581 209010997 /nfs/dbraw/zinc/01/09/97/209010997.db2.gz PHTGUTZXWDDRHU-GJZGRUSLSA-N 1 3 326.485 0.857 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000419192513 209018987 /nfs/dbraw/zinc/01/89/87/209018987.db2.gz PALNJYRUDCSFEE-UHFFFAOYSA-N 1 3 346.475 0.801 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000419199580 209020733 /nfs/dbraw/zinc/02/07/33/209020733.db2.gz DRIUBFOUIUPMEP-ZDUSSCGKSA-N 1 3 336.436 0.049 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419197104 209021414 /nfs/dbraw/zinc/02/14/14/209021414.db2.gz XNAKFUISMOTAAD-HNNXBMFYSA-N 1 3 346.475 0.521 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000419204439 209023231 /nfs/dbraw/zinc/02/32/31/209023231.db2.gz IXWLESJTWRTTOS-HNNXBMFYSA-N 1 3 346.475 0.998 20 0 ECADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419227535 209033202 /nfs/dbraw/zinc/03/32/02/209033202.db2.gz KSBKIDPTHJOSID-GOEBONIOSA-N 1 3 336.480 0.483 20 0 ECADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419227836 209034059 /nfs/dbraw/zinc/03/40/59/209034059.db2.gz LIOHEZITEISPAF-XHSDSOJGSA-N 1 3 336.480 0.611 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419233595 209036116 /nfs/dbraw/zinc/03/61/16/209036116.db2.gz WPACAAIACWRICW-CVEARBPZSA-N 1 3 336.480 0.435 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000185463059 285320063 /nfs/dbraw/zinc/32/00/63/285320063.db2.gz UBILTCUZMHHSFN-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000185463059 285320064 /nfs/dbraw/zinc/32/00/64/285320064.db2.gz UBILTCUZMHHSFN-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000419368062 209070914 /nfs/dbraw/zinc/07/09/14/209070914.db2.gz FDDPZGNCHVMSOJ-IRXDYDNUSA-N 1 3 346.475 0.534 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000130585004 296665595 /nfs/dbraw/zinc/66/55/95/296665595.db2.gz IHTCSJOAQGXQAV-OAHLLOKOSA-N 1 3 332.448 0.594 20 0 ECADHO CN(CCC[N@H+](C)C1(CO)CCOCC1)C1(CO)CCOCC1 ZINC000191018114 165027334 /nfs/dbraw/zinc/02/73/34/165027334.db2.gz VZEGEHPYNXBEMD-UHFFFAOYSA-N 1 3 330.469 0.323 20 0 ECADHO CN(CCC[N@@H+](C)C1(CO)CCOCC1)C1(CO)CCOCC1 ZINC000191018114 165027335 /nfs/dbraw/zinc/02/73/35/165027335.db2.gz VZEGEHPYNXBEMD-UHFFFAOYSA-N 1 3 330.469 0.323 20 0 ECADHO Cn1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000192920479 165050701 /nfs/dbraw/zinc/05/07/01/165050701.db2.gz LFWVBCAJXUXMEZ-MRXNPFEDSA-N 1 3 342.443 0.696 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000261672799 165225974 /nfs/dbraw/zinc/22/59/74/165225974.db2.gz ATNDGEUSXNVSAF-HNNXBMFYSA-N 1 3 346.475 0.984 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401174 209082077 /nfs/dbraw/zinc/08/20/77/209082077.db2.gz OKSPRBLMXIRDKB-OFQRWUPVSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401174 209082080 /nfs/dbraw/zinc/08/20/80/209082080.db2.gz OKSPRBLMXIRDKB-OFQRWUPVSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419412592 209086691 /nfs/dbraw/zinc/08/66/91/209086691.db2.gz RAMDIXYXWCWHLG-QKPAOTATSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000122978187 222192708 /nfs/dbraw/zinc/19/27/08/222192708.db2.gz KMXRBABUMFRFCF-WMZOPIPTSA-N 1 3 336.480 0.771 20 0 ECADHO CC(=O)N1CCN(C(=O)CN2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000123391087 222268958 /nfs/dbraw/zinc/26/89/58/222268958.db2.gz CDQMXSZAYOQKNC-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CNc1nnc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000617507100 421223379 /nfs/dbraw/zinc/22/33/79/421223379.db2.gz HXMWTFRFLWSFPQ-NSHDSACASA-N 1 3 328.486 0.511 20 0 ECADHO CNc1nnc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000617507100 421223380 /nfs/dbraw/zinc/22/33/80/421223380.db2.gz HXMWTFRFLWSFPQ-NSHDSACASA-N 1 3 328.486 0.511 20 0 ECADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000177666870 263153983 /nfs/dbraw/zinc/15/39/83/263153983.db2.gz YYLOATNJJKTIMC-CQSZACIVSA-N 1 3 326.485 0.632 20 0 ECADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286199755 264379803 /nfs/dbraw/zinc/37/98/03/264379803.db2.gz SDAZSNYNBKWRBX-INIZCTEOSA-N 1 3 346.475 0.747 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C1CC1 ZINC000419526097 276344958 /nfs/dbraw/zinc/34/49/58/276344958.db2.gz SFOGQFVULQDTKN-INIZCTEOSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419132806 277395001 /nfs/dbraw/zinc/39/50/01/277395001.db2.gz FCERAFZNYURDFU-HZPDHXFCSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419132806 277395003 /nfs/dbraw/zinc/39/50/03/277395003.db2.gz FCERAFZNYURDFU-HZPDHXFCSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H]1CN ZINC000418813590 278338989 /nfs/dbraw/zinc/33/89/89/278338989.db2.gz YOZHOILIHOJSGK-GJZGRUSLSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418843640 279135521 /nfs/dbraw/zinc/13/55/21/279135521.db2.gz KIZZIPKGCXWWFQ-CQSZACIVSA-N 1 3 326.485 0.855 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]C)C2)CC1=O ZINC000247329203 279303845 /nfs/dbraw/zinc/30/38/45/279303845.db2.gz UPTKNTFRSALGRD-HRCADAONSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419377617 279838892 /nfs/dbraw/zinc/83/88/92/279838892.db2.gz UYSJIHPYSBEKDG-JKSUJKDBSA-N 1 3 338.496 0.727 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000423222542 289508435 /nfs/dbraw/zinc/50/84/35/289508435.db2.gz BOUFXRDHYZXLED-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423152582 289791667 /nfs/dbraw/zinc/79/16/67/289791667.db2.gz LXFSKBPQADSAHJ-JYJNAYRXSA-N 1 3 336.480 0.659 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332113038 297003464 /nfs/dbraw/zinc/00/34/64/297003464.db2.gz CMYBLEITHUEFEK-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332113038 297003465 /nfs/dbraw/zinc/00/34/65/297003465.db2.gz CMYBLEITHUEFEK-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000332202564 297016332 /nfs/dbraw/zinc/01/63/32/297016332.db2.gz STTCQOQTZNAOKG-XIRDDKMYSA-N 1 3 337.512 0.781 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000419900259 295311999 /nfs/dbraw/zinc/31/19/99/295311999.db2.gz SBNWCCWYBICYKA-PMPSAXMXSA-N 1 3 336.480 0.849 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000332983590 297096583 /nfs/dbraw/zinc/09/65/83/297096583.db2.gz ZCAPZQMMVWXZAT-OAGGEKHMSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000332983590 297096584 /nfs/dbraw/zinc/09/65/84/297096584.db2.gz ZCAPZQMMVWXZAT-OAGGEKHMSA-N 1 3 325.501 0.794 20 0 ECADHO Cc1nc2cncc(N3CCN(C[C@@H]4CC[NH2+][C@@H](C)C4)CC3)n2n1 ZINC000333183274 297116616 /nfs/dbraw/zinc/11/66/16/297116616.db2.gz QEZSOGSHVLXNHR-DZGCQCFKSA-N 1 3 329.452 0.943 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCC3([NH+](C)C)CCCC3)C[C@H]2N)cn1 ZINC000333468273 297137263 /nfs/dbraw/zinc/13/72/63/297137263.db2.gz HSYIXLPNIJPIDI-LSDHHAIUSA-N 1 3 334.468 0.731 20 0 ECADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000333598833 297143945 /nfs/dbraw/zinc/14/39/45/297143945.db2.gz QCDQZBFGNCZZOJ-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C[C@H]2N)cn1 ZINC000333601252 297144260 /nfs/dbraw/zinc/14/42/60/297144260.db2.gz QNHKDFFSMDUBHS-LKAFINOVSA-N 1 3 332.452 0.244 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C[C@H]2N)cn1 ZINC000333601259 297144289 /nfs/dbraw/zinc/14/42/89/297144289.db2.gz QNHKDFFSMDUBHS-XHXGSEDSSA-N 1 3 332.452 0.244 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333886147 297153960 /nfs/dbraw/zinc/15/39/60/297153960.db2.gz XGPHGIHAKSDGSE-GJZGRUSLSA-N 1 3 325.501 0.700 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333890180 297154300 /nfs/dbraw/zinc/15/43/00/297154300.db2.gz YAKVNOSFWBPGDB-GJZGRUSLSA-N 1 3 339.484 0.180 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCC[C@@H](C)C1 ZINC000333946772 297156495 /nfs/dbraw/zinc/15/64/95/297156495.db2.gz UZVDQFCEVGYVOO-IXDOHACOSA-N 1 3 337.512 0.796 20 0 ECADHO CCN1C[C@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC000337568227 297196693 /nfs/dbraw/zinc/19/66/93/297196693.db2.gz BCPTVYYHOLUXGI-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1C[C@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC000337568227 297196694 /nfs/dbraw/zinc/19/66/94/297196694.db2.gz BCPTVYYHOLUXGI-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000339634515 297366717 /nfs/dbraw/zinc/36/67/17/297366717.db2.gz XJVNODYROQPTJW-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339635469 297366964 /nfs/dbraw/zinc/36/69/64/297366964.db2.gz ZCBWFFAZVQHVIZ-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339635469 297366966 /nfs/dbraw/zinc/36/69/66/297366966.db2.gz ZCBWFFAZVQHVIZ-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000339734968 297375241 /nfs/dbraw/zinc/37/52/41/297375241.db2.gz JAWMDGWNUWKVKP-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000339753524 297379035 /nfs/dbraw/zinc/37/90/35/297379035.db2.gz LEEYWSZIWMOHJC-OAHLLOKOSA-N 1 3 336.480 0.745 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000346532651 298287806 /nfs/dbraw/zinc/28/78/06/298287806.db2.gz PGCCKDIUFMRXOE-MPTQWLOMSA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000346532651 298287810 /nfs/dbraw/zinc/28/78/10/298287810.db2.gz PGCCKDIUFMRXOE-MPTQWLOMSA-N 1 3 334.464 0.184 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000351523710 298774867 /nfs/dbraw/zinc/77/48/67/298774867.db2.gz OMPJSDGLACESRY-MRXNPFEDSA-N 1 3 348.447 0.111 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC000353446128 299049632 /nfs/dbraw/zinc/04/96/32/299049632.db2.gz ZHYGGOWHARLZQN-HZPDHXFCSA-N 1 3 336.480 0.245 20 0 ECADHO CCO[C@@H]1COCC[C@@H]1NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362013586 300153040 /nfs/dbraw/zinc/15/30/40/300153040.db2.gz JRDVYUCTZAANHJ-JKSUJKDBSA-N 1 3 325.453 0.513 20 0 ECADHO NCc1cc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000362584685 300201763 /nfs/dbraw/zinc/20/17/63/300201763.db2.gz XEVVFFJQJMQWBN-GFCCVEGCSA-N 1 3 344.337 0.971 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000364557839 300367354 /nfs/dbraw/zinc/36/73/54/300367354.db2.gz HAPHCAFNHVQQJU-APWZRJJASA-N 1 3 344.459 0.594 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnn(C)c1 ZINC000073822806 436093517 /nfs/dbraw/zinc/09/35/17/436093517.db2.gz CCGNBIPMYSZEAH-MRXNPFEDSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnn(C)c1 ZINC000073822806 436093523 /nfs/dbraw/zinc/09/35/23/436093523.db2.gz CCGNBIPMYSZEAH-MRXNPFEDSA-N 1 3 336.484 0.978 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000074657483 436137794 /nfs/dbraw/zinc/13/77/94/436137794.db2.gz UFVLNIXMYZUIRX-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000074161117 436111196 /nfs/dbraw/zinc/11/11/96/436111196.db2.gz SXWQIDVZKYFWCU-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000074161117 436111200 /nfs/dbraw/zinc/11/12/00/436111200.db2.gz SXWQIDVZKYFWCU-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO COCCN(C)CCNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000074252622 436116545 /nfs/dbraw/zinc/11/65/45/436116545.db2.gz VLSLYLGVLAIWLK-UHFFFAOYSA-N 1 3 337.468 0.677 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000372896562 301035297 /nfs/dbraw/zinc/03/52/97/301035297.db2.gz FBMBUXMAYCWOLF-ZXFNITATSA-N 1 3 341.496 0.992 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000075178759 436155103 /nfs/dbraw/zinc/15/51/03/436155103.db2.gz CFCMJPSMLVTGMK-OAHLLOKOSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000075178759 436155107 /nfs/dbraw/zinc/15/51/07/436155107.db2.gz CFCMJPSMLVTGMK-OAHLLOKOSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000075178759 436155112 /nfs/dbraw/zinc/15/51/12/436155112.db2.gz CFCMJPSMLVTGMK-OAHLLOKOSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000075178759 436155116 /nfs/dbraw/zinc/15/51/16/436155116.db2.gz CFCMJPSMLVTGMK-OAHLLOKOSA-N 1 3 326.485 0.726 20 0 ECADHO CN(CCCN(C)[C@H]1CCN(c2cnn(C)c2)C1=O)CC[NH+](C)C ZINC000377582128 301361337 /nfs/dbraw/zinc/36/13/37/301361337.db2.gz IHMYJXPISIKQTI-INIZCTEOSA-N 1 3 336.484 0.341 20 0 ECADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000377807574 301377703 /nfs/dbraw/zinc/37/77/03/301377703.db2.gz SOLCXSTVMFGASF-WBVHZDCISA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC1CC[NH+](C)CC1)N1CCN(C)CC1 ZINC000079205243 436294498 /nfs/dbraw/zinc/29/44/98/436294498.db2.gz QVFYIRIZORHPLK-MRXNPFEDSA-N 1 3 325.501 0.652 20 0 ECADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519660402 301753091 /nfs/dbraw/zinc/75/30/91/301753091.db2.gz ZIQDZXGNILLKND-CWRNSKLLSA-N 1 3 345.447 0.202 20 0 ECADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000520375603 301770341 /nfs/dbraw/zinc/77/03/41/301770341.db2.gz UDXDXTANJLLKLO-QXSJWSMHSA-N 1 3 336.480 0.481 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCn3cncn3)CC2)CC1 ZINC000051758777 436496361 /nfs/dbraw/zinc/49/63/61/436496361.db2.gz QCEBARLNACKKEY-UHFFFAOYSA-N 1 3 349.483 0.526 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000056523178 436593980 /nfs/dbraw/zinc/59/39/80/436593980.db2.gz YRPLZIZBIMJRFK-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO COCCc1noc(CC2CCN(CCN3CC[NH2+]CC3)CC2)n1 ZINC000530230547 301998143 /nfs/dbraw/zinc/99/81/43/301998143.db2.gz HPGHAFGZYJIXIV-UHFFFAOYSA-N 1 3 337.468 0.418 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc(C(N)=O)cc1 ZINC000530881198 302033272 /nfs/dbraw/zinc/03/32/72/302033272.db2.gz ARRKGOCDQQFSTI-UHFFFAOYSA-N 1 3 336.436 0.116 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[NH+]1CCC(C)CC1 ZINC000114182129 436640093 /nfs/dbraw/zinc/64/00/93/436640093.db2.gz YKDGPYJXWKDPFS-HOTGVXAUSA-N 1 3 338.496 0.633 20 0 ECADHO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000537717863 302154579 /nfs/dbraw/zinc/15/45/79/302154579.db2.gz BZBCKDPYIQAXTF-NVXWUHKLSA-N 1 3 341.496 0.839 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC1(C)C ZINC000548814129 302328529 /nfs/dbraw/zinc/32/85/29/302328529.db2.gz PTUNGWUTFTVMJL-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000551039398 302352590 /nfs/dbraw/zinc/35/25/90/302352590.db2.gz PMOHOSXAXPSESU-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000153262293 436752794 /nfs/dbraw/zinc/75/27/94/436752794.db2.gz YJCYCUZFHWHWFL-ZDUSSCGKSA-N 1 3 338.456 0.230 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000153262293 436752795 /nfs/dbraw/zinc/75/27/95/436752795.db2.gz YJCYCUZFHWHWFL-ZDUSSCGKSA-N 1 3 338.456 0.230 20 0 ECADHO C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000155341931 436793903 /nfs/dbraw/zinc/79/39/03/436793903.db2.gz ZODSBERRIXHDLI-MRXNPFEDSA-N 1 3 338.496 0.959 20 0 ECADHO C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000155341931 436793906 /nfs/dbraw/zinc/79/39/06/436793906.db2.gz ZODSBERRIXHDLI-MRXNPFEDSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CN1C1CC1 ZINC000130620813 436840698 /nfs/dbraw/zinc/84/06/98/436840698.db2.gz NFAYLFQWNSIHFK-LSDHHAIUSA-N 1 3 337.512 0.937 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000129696804 436829197 /nfs/dbraw/zinc/82/91/97/436829197.db2.gz RTTXUDSQKHGOAN-KRWDZBQOSA-N 1 3 344.500 0.488 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000163161166 436919875 /nfs/dbraw/zinc/91/98/75/436919875.db2.gz QTUUIFHRXWXWAW-MRXNPFEDSA-N 1 3 326.485 0.959 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000163161166 436919877 /nfs/dbraw/zinc/91/98/77/436919877.db2.gz QTUUIFHRXWXWAW-MRXNPFEDSA-N 1 3 326.485 0.959 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000262288068 436921242 /nfs/dbraw/zinc/92/12/42/436921242.db2.gz ZWXKZEFJSHIROT-SFHVURJKSA-N 1 3 346.475 0.998 20 0 ECADHO C[NH+](C)[C@@H](CNC(=O)CN1CC[C@](C)(C(N)=O)C1)c1ccccc1 ZINC000280854089 436927082 /nfs/dbraw/zinc/92/70/82/436927082.db2.gz YIAKWFHPFCUWMJ-YJBOKZPZSA-N 1 3 332.448 0.603 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000261653569 436880304 /nfs/dbraw/zinc/88/03/04/436880304.db2.gz FINSJYZADKDESF-CVEARBPZSA-N 1 3 348.447 0.101 20 0 ECADHO [NH3+]C[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCO1 ZINC000274846083 436882494 /nfs/dbraw/zinc/88/24/94/436882494.db2.gz XNFBZRVHEZEBSI-KRWDZBQOSA-N 1 3 332.448 0.385 20 0 ECADHO CN(C)C/C=C/C(=O)N[C@@H](CNC(=O)/C=C/C[NH+](C)C)C(C)(C)C ZINC000281787435 436997612 /nfs/dbraw/zinc/99/76/12/436997612.db2.gz VJXNFRWWUGEYDH-ASQGTYDDSA-N 1 3 338.496 0.869 20 0 ECADHO CN(C)C/C=C/C(=O)NC[C@H](NC(=O)/C=C/C[NH+](C)C)C(C)(C)C ZINC000281787435 436997615 /nfs/dbraw/zinc/99/76/15/436997615.db2.gz VJXNFRWWUGEYDH-ASQGTYDDSA-N 1 3 338.496 0.869 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@@H]1N(C)C ZINC000331689573 437144913 /nfs/dbraw/zinc/14/49/13/437144913.db2.gz WJVYVXCYWWDHBN-KBMXLJTQSA-N 1 3 336.480 0.386 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331695680 437146557 /nfs/dbraw/zinc/14/65/57/437146557.db2.gz ZATQWDASLMBORN-ZJIFWQFVSA-N 1 3 336.480 0.515 20 0 ECADHO CCCN(CCO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000303224145 437154288 /nfs/dbraw/zinc/15/42/88/437154288.db2.gz MWZXRFIJTHEWKB-UHFFFAOYSA-N 1 3 326.485 0.959 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000331603275 437127840 /nfs/dbraw/zinc/12/78/40/437127840.db2.gz HTXUEBVKKQJSLU-CWVYHPPDSA-N 1 3 336.480 0.336 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332304501 437212667 /nfs/dbraw/zinc/21/26/67/437212667.db2.gz ILDJZWAMMIHSLP-XHSDSOJGSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](NC(=O)CN1CCNCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310150396 437170216 /nfs/dbraw/zinc/17/02/16/437170216.db2.gz OXZGLAAKMRUACE-AEFFLSMTSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@@H](NC(=O)CN1CCNCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310150396 437170222 /nfs/dbraw/zinc/17/02/22/437170222.db2.gz OXZGLAAKMRUACE-AEFFLSMTSA-N 1 3 330.476 0.918 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000332402445 437219260 /nfs/dbraw/zinc/21/92/60/437219260.db2.gz GUUNIIYJJGGTBO-HRCADAONSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC(O)(CNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000266686305 437229835 /nfs/dbraw/zinc/22/98/35/437229835.db2.gz AOFVCBDNRHCRBI-UHFFFAOYSA-N 1 3 335.448 0.814 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000332647338 437238044 /nfs/dbraw/zinc/23/80/44/437238044.db2.gz STTYVVADDYENDP-ZJIFWQFVSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CN1C1CC1 ZINC000333610780 437277947 /nfs/dbraw/zinc/27/79/47/437277947.db2.gz RXICBUSCNGUMTF-RUAUBTSSSA-N 1 3 332.452 0.481 20 0 ECADHO Cc1cc(NC(=O)CCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)no1 ZINC000328966174 437294615 /nfs/dbraw/zinc/29/46/15/437294615.db2.gz SNVXHJJFCZNJFA-GDBMZVCRSA-N 1 3 349.479 1.269 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000337574603 437367262 /nfs/dbraw/zinc/36/72/62/437367262.db2.gz GWGODFGBSANEBI-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000337574603 437367266 /nfs/dbraw/zinc/36/72/66/437367266.db2.gz GWGODFGBSANEBI-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(F)(F)CO)CC2)CC1 ZINC000184773397 437410387 /nfs/dbraw/zinc/41/03/87/437410387.db2.gz MWXMAKOYGHZDIG-UHFFFAOYSA-N 1 3 334.411 0.472 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000183209565 437378221 /nfs/dbraw/zinc/37/82/21/437378221.db2.gz VIXJLJRFTBCRGY-OAHLLOKOSA-N 1 3 336.436 0.425 20 0 ECADHO CO[C@@H](C[NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000290251335 437473657 /nfs/dbraw/zinc/47/36/57/437473657.db2.gz WLODDFVOUFWTAG-INIZCTEOSA-N 1 3 339.411 0.759 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000339631488 437481305 /nfs/dbraw/zinc/48/13/05/437481305.db2.gz JVHOPDCCACTVFC-HOCLYGCPSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@H](CN(C)C)NC(=O)c1cncc(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000360184635 437549644 /nfs/dbraw/zinc/54/96/44/437549644.db2.gz MKGBQHNRVMCEJB-BETUJISGSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)c1cncc(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000360184635 437549647 /nfs/dbraw/zinc/54/96/47/437549647.db2.gz MKGBQHNRVMCEJB-BETUJISGSA-N 1 3 335.452 0.441 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1=O ZINC000188706451 437566333 /nfs/dbraw/zinc/56/63/33/437566333.db2.gz NKAXIEIEANHYCM-MRXNPFEDSA-N 1 3 330.432 0.316 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000340486872 437667554 /nfs/dbraw/zinc/66/75/54/437667554.db2.gz KPBVDLPBQYZBLQ-UHFFFAOYSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000340491360 437668630 /nfs/dbraw/zinc/66/86/30/437668630.db2.gz YFYDKFKYBHOEOQ-YOEHRIQHSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000340491360 437668636 /nfs/dbraw/zinc/66/86/36/437668636.db2.gz YFYDKFKYBHOEOQ-YOEHRIQHSA-N 1 3 346.475 0.963 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340507908 437676496 /nfs/dbraw/zinc/67/64/96/437676496.db2.gz GZVZQSXHGHEFNF-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340507908 437676502 /nfs/dbraw/zinc/67/65/02/437676502.db2.gz GZVZQSXHGHEFNF-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000362950521 437764445 /nfs/dbraw/zinc/76/44/45/437764445.db2.gz DFTMRPXOZOQJCN-RBSFLKMASA-N 1 3 345.509 0.152 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000362950521 437764447 /nfs/dbraw/zinc/76/44/47/437764447.db2.gz DFTMRPXOZOQJCN-RBSFLKMASA-N 1 3 345.509 0.152 20 0 ECADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000344062859 437727047 /nfs/dbraw/zinc/72/70/47/437727047.db2.gz NNIGDWJBQQWPDO-HNNXBMFYSA-N 1 3 334.530 0.083 20 0 ECADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000344062859 437727051 /nfs/dbraw/zinc/72/70/51/437727051.db2.gz NNIGDWJBQQWPDO-HNNXBMFYSA-N 1 3 334.530 0.083 20 0 ECADHO Cc1cc(NC(=O)CCN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)no1 ZINC000362641849 437748155 /nfs/dbraw/zinc/74/81/55/437748155.db2.gz QTUSCGMBUJIZAT-AWEZNQCLSA-N 1 3 349.479 1.412 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415605022 437829859 /nfs/dbraw/zinc/82/98/59/437829859.db2.gz NNZZAZFCTUSPSV-CQSZACIVSA-N 1 3 334.420 0.181 20 0 ECADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1CC[NH2+]C1 ZINC000423747033 437823833 /nfs/dbraw/zinc/82/38/33/437823833.db2.gz OOUVOGOTLGAFSQ-LSDHHAIUSA-N 1 3 325.453 0.862 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000423763686 437826463 /nfs/dbraw/zinc/82/64/63/437826463.db2.gz WCDFCPOASMDJMC-KRWDZBQOSA-N 1 3 336.455 0.964 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000423763690 437827366 /nfs/dbraw/zinc/82/73/66/437827366.db2.gz WCDFCPOASMDJMC-QGZVFWFLSA-N 1 3 336.455 0.964 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423776080 437828533 /nfs/dbraw/zinc/82/85/33/437828533.db2.gz NHKSUDQXGGIPHN-DJIMGWMZSA-N 1 3 344.459 0.491 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415318773 437781269 /nfs/dbraw/zinc/78/12/69/437781269.db2.gz RMJABTUMZFHJEB-CQSZACIVSA-N 1 3 334.420 0.434 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC(=O)N(C)C ZINC000341048916 437784157 /nfs/dbraw/zinc/78/41/57/437784157.db2.gz HPKJMAUOXMZZCR-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC(=O)N(C)C ZINC000341048916 437784160 /nfs/dbraw/zinc/78/41/60/437784160.db2.gz HPKJMAUOXMZZCR-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000356542877 437784340 /nfs/dbraw/zinc/78/43/40/437784340.db2.gz GNCOUCLAGIJPCW-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000356542877 437784344 /nfs/dbraw/zinc/78/43/44/437784344.db2.gz GNCOUCLAGIJPCW-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CCCN(C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Cc1ccco1 ZINC000423640851 437789201 /nfs/dbraw/zinc/78/92/01/437789201.db2.gz KNNJJADBQFKCCT-CQSZACIVSA-N 1 3 336.436 0.510 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000415365808 437790471 /nfs/dbraw/zinc/79/04/71/437790471.db2.gz WPKJMNDZQINBJR-UHFFFAOYSA-N 1 3 347.463 0.491 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c2)CC1 ZINC000415413179 437798035 /nfs/dbraw/zinc/79/80/35/437798035.db2.gz CWUSMJXOWBJGDQ-CQSZACIVSA-N 1 3 347.463 0.573 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000415898273 437878663 /nfs/dbraw/zinc/87/86/63/437878663.db2.gz SXGZRLVNQAUHPH-GJZGRUSLSA-N 1 3 330.432 0.755 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000415644676 437835409 /nfs/dbraw/zinc/83/54/09/437835409.db2.gz VUYITCIFVFIZQP-JTQLQIEISA-N 1 3 342.827 0.682 20 0 ECADHO CN1CCC[C@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000341394077 437841355 /nfs/dbraw/zinc/84/13/55/437841355.db2.gz SGTNNDFSSUTCFS-HNNXBMFYSA-N 1 3 335.452 0.915 20 0 ECADHO Cn1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c(-c2ccncc2)n1 ZINC000347172052 437846023 /nfs/dbraw/zinc/84/60/23/437846023.db2.gz OCLUSQMUAPGDTC-HNNXBMFYSA-N 1 3 342.447 0.769 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2cccnc2)C1 ZINC000347192380 437849986 /nfs/dbraw/zinc/84/99/86/437849986.db2.gz FYHJCPSKZNLEKB-CQSZACIVSA-N 1 3 328.420 0.759 20 0 ECADHO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[C@@H]3N)CC2)CC1 ZINC000424197247 437902664 /nfs/dbraw/zinc/90/26/64/437902664.db2.gz WMZMAJZQNBPGKL-CVEARBPZSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1[C@H](C)CC[C@@H]1C ZINC000341847054 437907573 /nfs/dbraw/zinc/90/75/73/437907573.db2.gz KBPSJZYFEAQDHS-XUWVNRHRSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1[C@H](C)CC[C@@H]1C ZINC000341847054 437907577 /nfs/dbraw/zinc/90/75/77/437907577.db2.gz KBPSJZYFEAQDHS-XUWVNRHRSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1[C@H](C)CC[C@@H]1C ZINC000341847052 437908190 /nfs/dbraw/zinc/90/81/90/437908190.db2.gz KBPSJZYFEAQDHS-QKPAOTATSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1[C@H](C)CC[C@@H]1C ZINC000341847052 437908195 /nfs/dbraw/zinc/90/81/95/437908195.db2.gz KBPSJZYFEAQDHS-QKPAOTATSA-N 1 3 338.496 0.951 20 0 ECADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424482691 437954124 /nfs/dbraw/zinc/95/41/24/437954124.db2.gz VCQNIQCFLCHVNX-CWRNSKLLSA-N 1 3 336.484 0.977 20 0 ECADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424482691 437954127 /nfs/dbraw/zinc/95/41/27/437954127.db2.gz VCQNIQCFLCHVNX-CWRNSKLLSA-N 1 3 336.484 0.977 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342089703 437964015 /nfs/dbraw/zinc/96/40/15/437964015.db2.gz RUCSEHVNLNFVKK-CABCVRRESA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342089703 437964020 /nfs/dbraw/zinc/96/40/20/437964020.db2.gz RUCSEHVNLNFVKK-CABCVRRESA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)N(C)C1CC1 ZINC000424524627 437966307 /nfs/dbraw/zinc/96/63/07/437966307.db2.gz PUTZXNJZONKMPE-UONOGXRCSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424543858 437970471 /nfs/dbraw/zinc/97/04/71/437970471.db2.gz KCOZDQVYFLKPKS-VNQPRFMTSA-N 1 3 330.432 0.183 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424551975 437976196 /nfs/dbraw/zinc/97/61/96/437976196.db2.gz XGWOHGOQTUPXON-DLBZAZTESA-N 1 3 344.459 0.445 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC[N@@H+]1C ZINC000347983306 437990535 /nfs/dbraw/zinc/99/05/35/437990535.db2.gz UXSZWKPVQXZSSA-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC[N@H+]1C ZINC000347983306 437990540 /nfs/dbraw/zinc/99/05/40/437990540.db2.gz UXSZWKPVQXZSSA-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000341999664 437936588 /nfs/dbraw/zinc/93/65/88/437936588.db2.gz HWSFNVMSNWWLNC-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417369118 438044191 /nfs/dbraw/zinc/04/41/91/438044191.db2.gz PPFVCJCLCKXUKG-OAHLLOKOSA-N 1 3 334.468 0.630 20 0 ECADHO [NH3+][C@@H]1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417371254 438044696 /nfs/dbraw/zinc/04/46/96/438044696.db2.gz VNVIUHCTBDXGOA-OAHLLOKOSA-N 1 3 332.452 0.336 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417375599 438045934 /nfs/dbraw/zinc/04/59/34/438045934.db2.gz CFFYVQRMRKWZBM-UHFFFAOYSA-N 1 3 340.493 0.923 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C[C@@H]1C ZINC000347997713 437995400 /nfs/dbraw/zinc/99/54/00/437995400.db2.gz FNNIRQNMFWGHMZ-JONQDZQNSA-N 1 3 338.496 0.917 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C[C@@H]1C ZINC000347997713 437995402 /nfs/dbraw/zinc/99/54/02/437995402.db2.gz FNNIRQNMFWGHMZ-JONQDZQNSA-N 1 3 338.496 0.917 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)NCC[NH2+]C)CC1 ZINC000416992304 438011003 /nfs/dbraw/zinc/01/10/03/438011003.db2.gz PIUQERHHTKCOQD-UHFFFAOYSA-N 1 3 333.480 0.843 20 0 ECADHO O=C(C[C@H]1CSCCN1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000366517032 438086878 /nfs/dbraw/zinc/08/68/78/438086878.db2.gz SZGWBBBYJINQSL-AWEZNQCLSA-N 1 3 327.494 0.795 20 0 ECADHO O=C(C[C@H]1CSCCN1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000366517032 438086882 /nfs/dbraw/zinc/08/68/82/438086882.db2.gz SZGWBBBYJINQSL-AWEZNQCLSA-N 1 3 327.494 0.795 20 0 ECADHO O=C(NCCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)[C@H]1CCCN1C1CC1 ZINC000342947968 438091706 /nfs/dbraw/zinc/09/17/06/438091706.db2.gz UPMFASAHEGVLJC-IAGOWNOFSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NCCCNC(=O)[C@H]1CCC[N@H+]1C1CC1)[C@H]1CCCN1C1CC1 ZINC000342947968 438091711 /nfs/dbraw/zinc/09/17/11/438091711.db2.gz UPMFASAHEGVLJC-IAGOWNOFSA-N 1 3 348.491 0.863 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)ccn1 ZINC000417954425 438094721 /nfs/dbraw/zinc/09/47/21/438094721.db2.gz QOQNZONXYVBEJZ-AWEZNQCLSA-N 1 3 335.452 0.821 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000348760235 438095296 /nfs/dbraw/zinc/09/52/96/438095296.db2.gz FJXUYOYDMCGZEJ-UAGQMJEPSA-N 1 3 348.491 0.838 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000348760235 438095297 /nfs/dbraw/zinc/09/52/97/438095297.db2.gz FJXUYOYDMCGZEJ-UAGQMJEPSA-N 1 3 348.491 0.838 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366411272 438069232 /nfs/dbraw/zinc/06/92/32/438069232.db2.gz IGLZSTIAUNAEAF-AEFFLSMTSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366411272 438069235 /nfs/dbraw/zinc/06/92/35/438069235.db2.gz IGLZSTIAUNAEAF-AEFFLSMTSA-N 1 3 337.512 0.750 20 0 ECADHO COCCCN(C)CCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417752676 438073651 /nfs/dbraw/zinc/07/36/51/438073651.db2.gz MXENYUWLZYTPHM-MRXNPFEDSA-N 1 3 326.485 0.986 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000417743452 438074163 /nfs/dbraw/zinc/07/41/63/438074163.db2.gz CBFMSRBWRHVKJG-OWCLPIDISA-N 1 3 325.501 0.687 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)CN1CCN(C)CC1 ZINC000417756860 438076000 /nfs/dbraw/zinc/07/60/00/438076000.db2.gz SMSXWSPTGKZEFH-DOTOQJQBSA-N 1 3 333.480 0.869 20 0 ECADHO C[C@@H]([NH3+])CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000430743645 438120050 /nfs/dbraw/zinc/12/00/50/438120050.db2.gz SCRLQEQWFNQOSJ-CQSZACIVSA-N 1 3 332.448 0.866 20 0 ECADHO CC1(C)CCCN(CCNC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000418288366 438126014 /nfs/dbraw/zinc/12/60/14/438126014.db2.gz AYBROKUEBGITJN-UHFFFAOYSA-N 1 3 325.501 0.703 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000343026015 438106033 /nfs/dbraw/zinc/10/60/33/438106033.db2.gz RTUYCXYIKHPDRA-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000343014288 438106177 /nfs/dbraw/zinc/10/61/77/438106177.db2.gz HJZGGLKCJBNKMY-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CNCCC1(F)F ZINC000418332454 438131535 /nfs/dbraw/zinc/13/15/35/438131535.db2.gz SIWYZILVUXZDSP-CYBMUJFWSA-N 1 3 327.379 0.858 20 0 ECADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000430954391 438133437 /nfs/dbraw/zinc/13/34/37/438133437.db2.gz JFKLEJXOTNWPMN-AWEZNQCLSA-N 1 3 348.447 0.623 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418375079 438138387 /nfs/dbraw/zinc/13/83/87/438138387.db2.gz WTIARSKQGSSLSV-INIZCTEOSA-N 1 3 327.517 0.901 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418366932 438136017 /nfs/dbraw/zinc/13/60/17/438136017.db2.gz KOSRJVZKRNFCND-OKZBNKHCSA-N 1 3 346.475 0.921 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000431026006 438140857 /nfs/dbraw/zinc/14/08/57/438140857.db2.gz VOXPMNMGNAAOGT-HNNXBMFYSA-N 1 3 326.485 0.145 20 0 ECADHO O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418677439 438174339 /nfs/dbraw/zinc/17/43/39/438174339.db2.gz AQOQRZBAOFAFDY-FGTMMUONSA-N 1 3 346.475 0.888 20 0 ECADHO C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418748173 438180284 /nfs/dbraw/zinc/18/02/84/438180284.db2.gz KHBGPWFLTHCFIW-CYBMUJFWSA-N 1 3 334.411 0.736 20 0 ECADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CNCCC1(F)F ZINC000418749003 438180805 /nfs/dbraw/zinc/18/08/05/438180805.db2.gz LNOGDRLNVXCIFO-ZDUSSCGKSA-N 1 3 336.427 0.983 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000349930333 438188225 /nfs/dbraw/zinc/18/82/25/438188225.db2.gz FCNUZYKWBYXJSZ-HOTGVXAUSA-N 1 3 342.484 0.099 20 0 ECADHO [NH3+][C@H](CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000418492112 438150688 /nfs/dbraw/zinc/15/06/88/438150688.db2.gz UCZVJHAOSVAHQY-SJLPKXTDSA-N 1 3 332.448 0.660 20 0 ECADHO [NH3+][C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000418500992 438151168 /nfs/dbraw/zinc/15/11/68/438151168.db2.gz QLJVYWYZAIDYCY-KURKYZTESA-N 1 3 346.475 0.906 20 0 ECADHO [NH3+][C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000418500994 438151218 /nfs/dbraw/zinc/15/12/18/438151218.db2.gz QLJVYWYZAIDYCY-KZNAEPCWSA-N 1 3 346.475 0.906 20 0 ECADHO O=C(N[C@H]1CCC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418502294 438151306 /nfs/dbraw/zinc/15/13/06/438151306.db2.gz UURRPKGJPWHOHM-SQNIBIBYSA-N 1 3 346.475 0.921 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCC(=O)NCCN2CCCCCC2)CC[NH2+]1 ZINC000418610007 438165459 /nfs/dbraw/zinc/16/54/59/438165459.db2.gz TWJVGQWHJRNHBW-CABCVRRESA-N 1 3 339.484 0.418 20 0 ECADHO COC[C@]1(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CCC[NH2+]1 ZINC000418639077 438171186 /nfs/dbraw/zinc/17/11/86/438171186.db2.gz PFOJAZYCHLGJCU-DOTOQJQBSA-N 1 3 342.484 0.507 20 0 ECADHO COC[C@]1(CNC(=O)NC[C@@H]2NCCc3ccccc32)CCC[NH2+]1 ZINC000418646961 438171554 /nfs/dbraw/zinc/17/15/54/438171554.db2.gz XRRIHTQHIUKSOY-FUHWJXTLSA-N 1 3 332.448 0.941 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000418857077 438221214 /nfs/dbraw/zinc/22/12/14/438221214.db2.gz YACFHUPKQRNKRZ-USXIJHARSA-N 1 3 346.475 0.471 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)CCCN2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000433116897 438225204 /nfs/dbraw/zinc/22/52/04/438225204.db2.gz NFXDYVLHTSAFKM-IYBDPMFKSA-N 1 3 340.512 0.805 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418879158 438231798 /nfs/dbraw/zinc/23/17/98/438231798.db2.gz SGPYPAXXRSOQCY-IAGOWNOFSA-N 1 3 346.475 0.391 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000358512969 438242703 /nfs/dbraw/zinc/24/27/03/438242703.db2.gz YNNDXXUNADCGBR-PMRDEQMMSA-N 1 3 337.512 0.889 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000358512969 438242705 /nfs/dbraw/zinc/24/27/05/438242705.db2.gz YNNDXXUNADCGBR-PMRDEQMMSA-N 1 3 337.512 0.889 20 0 ECADHO CC(C)(CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CCCCC1 ZINC000418835693 438205933 /nfs/dbraw/zinc/20/59/33/438205933.db2.gz OFCUUTMXXYNDHN-SFHVURJKSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000418842781 438211196 /nfs/dbraw/zinc/21/11/96/438211196.db2.gz BRCHNBFXVWUCPB-QGZVFWFLSA-N 1 3 346.475 0.473 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418954454 438264821 /nfs/dbraw/zinc/26/48/21/438264821.db2.gz WLOCWEHEYNNWNU-HOCLYGCPSA-N 1 3 334.464 0.723 20 0 ECADHO CN(CCN)C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418971082 438269114 /nfs/dbraw/zinc/26/91/14/438269114.db2.gz XEQQDPOGSUVVMF-UHFFFAOYSA-N 1 3 348.447 0.195 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000418973875 438269579 /nfs/dbraw/zinc/26/95/79/438269579.db2.gz AXEAPLROIVQPOE-HOCLYGCPSA-N 1 3 338.496 0.858 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000418973875 438269582 /nfs/dbraw/zinc/26/95/82/438269582.db2.gz AXEAPLROIVQPOE-HOCLYGCPSA-N 1 3 338.496 0.858 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000418991418 438275559 /nfs/dbraw/zinc/27/55/59/438275559.db2.gz XQJKIXPWDBVMSE-INIZCTEOSA-N 1 3 332.448 0.623 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000418988784 438275693 /nfs/dbraw/zinc/27/56/93/438275693.db2.gz SLSYNPYUWMBHGF-BFHYXJOUSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000418988784 438275698 /nfs/dbraw/zinc/27/56/98/438275698.db2.gz SLSYNPYUWMBHGF-BFHYXJOUSA-N 1 3 340.468 0.064 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000418991108 438275906 /nfs/dbraw/zinc/27/59/06/438275906.db2.gz DNSCJLNJNFTCKN-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000418993597 438277775 /nfs/dbraw/zinc/27/77/75/438277775.db2.gz HEUUXPJTVYHTBN-RDJZCZTQSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000419007612 438283730 /nfs/dbraw/zinc/28/37/30/438283730.db2.gz URTAPISDAUKJAJ-NVXWUHKLSA-N 1 3 346.475 0.820 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H](CN)C2CC2)c1 ZINC000419015164 438287222 /nfs/dbraw/zinc/28/72/22/438287222.db2.gz DSHALUSEIGGZAW-MRXNPFEDSA-N 1 3 332.448 0.608 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H](CN)C2CC2)c1 ZINC000419015164 438287227 /nfs/dbraw/zinc/28/72/27/438287227.db2.gz DSHALUSEIGGZAW-MRXNPFEDSA-N 1 3 332.448 0.608 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000419020986 438290771 /nfs/dbraw/zinc/29/07/71/438290771.db2.gz ALRJNJJPEIELCY-CQSZACIVSA-N 1 3 338.496 0.810 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)C1 ZINC000419023778 438293531 /nfs/dbraw/zinc/29/35/31/438293531.db2.gz DUCZQLRAEXFGEW-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419024478 438294116 /nfs/dbraw/zinc/29/41/16/438294116.db2.gz KWSZZIWCMLZCBH-KGLIPLIRSA-N 1 3 326.485 0.857 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)C1 ZINC000419123833 438332581 /nfs/dbraw/zinc/33/25/81/438332581.db2.gz QFSCULAPPOVXEC-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419126831 438334276 /nfs/dbraw/zinc/33/42/76/438334276.db2.gz YLISXILHRRKRHT-HNNXBMFYSA-N 1 3 336.480 0.793 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)[NH+]1CCCCCC1 ZINC000419125735 438334452 /nfs/dbraw/zinc/33/44/52/438334452.db2.gz KOKJUDACRGZCDB-GJZGRUSLSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419125274 438334760 /nfs/dbraw/zinc/33/47/60/438334760.db2.gz SWRXXQINKXXENE-LSVZVQIISA-N 1 3 336.480 0.766 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000419138093 438341698 /nfs/dbraw/zinc/34/16/98/438341698.db2.gz QDQGADGGIUBFPE-DLBZAZTESA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419030592 438297027 /nfs/dbraw/zinc/29/70/27/438297027.db2.gz TYFUCGABPMHAKQ-ZVDSWSACSA-N 1 3 338.496 0.665 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000419032757 438297119 /nfs/dbraw/zinc/29/71/19/438297119.db2.gz XEFFZCSXRODJKJ-ILXRZTDVSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419042317 438302996 /nfs/dbraw/zinc/30/29/96/438302996.db2.gz HJDFUHQLOLEZRA-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CCN1CCCC1)C(C)(C)C[NH+](C)C ZINC000358818789 438308255 /nfs/dbraw/zinc/30/82/55/438308255.db2.gz DGLVUVIWBDPFOL-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000419074907 438311929 /nfs/dbraw/zinc/31/19/29/438311929.db2.gz FKENZFQIABJQLC-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351674945 438316517 /nfs/dbraw/zinc/31/65/17/438316517.db2.gz OKTCGPJZMXMXKG-FPCVCCKLSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCC[NH2+]C1 ZINC000420106366 438387983 /nfs/dbraw/zinc/38/79/83/438387983.db2.gz RTNILWANZUOYJY-MAUKXSAKSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419143126 438347360 /nfs/dbraw/zinc/34/73/60/438347360.db2.gz YUOINFJAUOKVKV-UONOGXRCSA-N 1 3 328.501 0.959 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419174370 438348809 /nfs/dbraw/zinc/34/88/09/438348809.db2.gz VLGSKEYRXKZLON-BZUAXINKSA-N 1 3 338.496 0.953 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN([C@@H]3CCSC3)CC2)CC1 ZINC000378087895 438349658 /nfs/dbraw/zinc/34/96/58/438349658.db2.gz LBUMVGRIMHVOMB-MRXNPFEDSA-N 1 3 340.537 0.664 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000359111863 438358563 /nfs/dbraw/zinc/35/85/63/438358563.db2.gz AGGLDSWXQTXAIT-JLSDUUJJSA-N 1 3 331.460 0.720 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000359111863 438358565 /nfs/dbraw/zinc/35/85/65/438358565.db2.gz AGGLDSWXQTXAIT-JLSDUUJJSA-N 1 3 331.460 0.720 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419704748 438368385 /nfs/dbraw/zinc/36/83/85/438368385.db2.gz YMSMYKNKDZJITJ-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000419762579 438372407 /nfs/dbraw/zinc/37/24/07/438372407.db2.gz MEGQXSUXVKCYHI-YOEHRIQHSA-N 1 3 346.475 0.819 20 0 ECADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000420336113 438398588 /nfs/dbraw/zinc/39/85/88/438398588.db2.gz VKQILRZAJKGAFF-IRXDYDNUSA-N 1 3 348.491 0.389 20 0 ECADHO CCN1CCN(CCC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000359736097 438487001 /nfs/dbraw/zinc/48/70/01/438487001.db2.gz NDLGPLRZFGYAFL-INIZCTEOSA-N 1 3 328.526 0.568 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353705529 438526233 /nfs/dbraw/zinc/52/62/33/438526233.db2.gz CPBDAKOOJXKPMV-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353705529 438526236 /nfs/dbraw/zinc/52/62/36/438526236.db2.gz CPBDAKOOJXKPMV-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422265131 438538726 /nfs/dbraw/zinc/53/87/26/438538726.db2.gz VBPHQHDALNNGFC-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422265131 438538730 /nfs/dbraw/zinc/53/87/30/438538730.db2.gz VBPHQHDALNNGFC-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)NCCN1CCN(C)C(C)(C)C1)[N@H+](C)C1CC1 ZINC000440982989 438573603 /nfs/dbraw/zinc/57/36/03/438573603.db2.gz MMNIQJQYOJSVPD-CQSZACIVSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](CNC(=O)NCCN1CCN(C)C(C)(C)C1)[N@@H+](C)C1CC1 ZINC000440982989 438573605 /nfs/dbraw/zinc/57/36/05/438573605.db2.gz MMNIQJQYOJSVPD-CQSZACIVSA-N 1 3 325.501 0.794 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000422495643 438579822 /nfs/dbraw/zinc/57/98/22/438579822.db2.gz SOESBJDNUVXJKZ-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000422495643 438579824 /nfs/dbraw/zinc/57/98/24/438579824.db2.gz SOESBJDNUVXJKZ-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCN2CCC[C@@H]2C1)C(C)C ZINC000410525122 438597825 /nfs/dbraw/zinc/59/78/25/438597825.db2.gz JJLRPZGSIKZABC-MRXNPFEDSA-N 1 3 338.496 0.870 20 0 ECADHO C[NH+](C)C1CCC(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000422974231 438623253 /nfs/dbraw/zinc/62/32/53/438623253.db2.gz QOPDFJRVTDIYHD-GPANFISMSA-N 1 3 338.496 0.999 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423058177 438633393 /nfs/dbraw/zinc/63/33/93/438633393.db2.gz BMJQULDJSUBVHZ-LSDHHAIUSA-N 1 3 326.485 0.618 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423059419 438633786 /nfs/dbraw/zinc/63/37/86/438633786.db2.gz FQHMZCLCPOIZOS-LSDHHAIUSA-N 1 3 326.485 0.476 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423137039 438641141 /nfs/dbraw/zinc/64/11/41/438641141.db2.gz VXZZFWAMVWYYML-HNNXBMFYSA-N 1 3 326.485 0.763 20 0 ECADHO CN(C)C/C=C/C(=O)N1CC[C@@](C)(CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000493674793 438641597 /nfs/dbraw/zinc/64/15/97/438641597.db2.gz PMCZLUPFJNDLSF-ZDBNHPDOSA-N 1 3 336.480 0.577 20 0 ECADHO CN(C)C/C=C\C(=O)NC[C@]1(C)CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000493674793 438641600 /nfs/dbraw/zinc/64/16/00/438641600.db2.gz PMCZLUPFJNDLSF-ZDBNHPDOSA-N 1 3 336.480 0.577 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000423224973 438650557 /nfs/dbraw/zinc/65/05/57/438650557.db2.gz KSYPLUODGICZAY-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000423353895 438665291 /nfs/dbraw/zinc/66/52/91/438665291.db2.gz FFNFOPZIZIXZBO-WMLDXEAASA-N 1 3 346.475 0.982 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000423360697 438666991 /nfs/dbraw/zinc/66/69/91/438666991.db2.gz GEQMEWPQHPXDEH-AWEZNQCLSA-N 1 3 336.436 0.380 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410911208 438667951 /nfs/dbraw/zinc/66/79/51/438667951.db2.gz COPMEGJSKMZUEL-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410911208 438667953 /nfs/dbraw/zinc/66/79/53/438667953.db2.gz COPMEGJSKMZUEL-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1=O ZINC000453035015 438682166 /nfs/dbraw/zinc/68/21/66/438682166.db2.gz LSMPWAFAYLCIRP-MWDXBVQZSA-N 1 3 348.491 0.482 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1=O ZINC000453035015 438682168 /nfs/dbraw/zinc/68/21/68/438682168.db2.gz LSMPWAFAYLCIRP-MWDXBVQZSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CCCC[NH3+])CC1=O ZINC000494666185 438702669 /nfs/dbraw/zinc/70/26/69/438702669.db2.gz KPDSWBMLAPILRD-OWCLPIDISA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CN(CC[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)C[C@H](C)O1 ZINC000414743189 438717015 /nfs/dbraw/zinc/71/70/15/438717015.db2.gz OHBNAPPMIRULPT-OWCLPIDISA-N 1 3 326.485 0.225 20 0 ECADHO C[C@@H]1CN(CC[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)C[C@H](C)O1 ZINC000414743189 438717018 /nfs/dbraw/zinc/71/70/18/438717018.db2.gz OHBNAPPMIRULPT-OWCLPIDISA-N 1 3 326.485 0.225 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2)C1CC1 ZINC000414876826 438719242 /nfs/dbraw/zinc/71/92/42/438719242.db2.gz LDDWZQDGFYPXHX-OAHLLOKOSA-N 1 3 348.422 0.866 20 0 ECADHO C[N@H+](C[C@H](O)CN[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000574917239 438727690 /nfs/dbraw/zinc/72/76/90/438727690.db2.gz YSMXHDFGMGPVMZ-DFQSSKMNSA-N 1 3 347.503 0.914 20 0 ECADHO C[N@@H+](C[C@H](O)CN[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000574917239 438727691 /nfs/dbraw/zinc/72/76/91/438727691.db2.gz YSMXHDFGMGPVMZ-DFQSSKMNSA-N 1 3 347.503 0.914 20 0 ECADHO CN(C[C@H](O)C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000574917239 438727693 /nfs/dbraw/zinc/72/76/93/438727693.db2.gz YSMXHDFGMGPVMZ-DFQSSKMNSA-N 1 3 347.503 0.914 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000574986306 438730415 /nfs/dbraw/zinc/73/04/15/438730415.db2.gz CBEPDIPJGVWQQD-KBPBESRZSA-N 1 3 332.452 0.777 20 0 ECADHO CN1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000557196363 438795384 /nfs/dbraw/zinc/79/53/84/438795384.db2.gz HMMDWXLPFWZZQF-ROUUACIJSA-N 1 3 345.491 0.935 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])CN1Cc1ccccc1 ZINC000557184660 438796431 /nfs/dbraw/zinc/79/64/31/438796431.db2.gz XPDLQLFNDCYPII-KBAYOESNSA-N 1 3 345.491 0.934 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[N@@H+]1C ZINC000558218236 438805666 /nfs/dbraw/zinc/80/56/66/438805666.db2.gz SQPQZMJOWDPCNN-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[N@H+]1C ZINC000558218236 438805668 /nfs/dbraw/zinc/80/56/68/438805668.db2.gz SQPQZMJOWDPCNN-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000576108031 438769411 /nfs/dbraw/zinc/76/94/11/438769411.db2.gz KGFLGDYQYAIMPC-QWHCGFSZSA-N 1 3 329.466 0.164 20 0 ECADHO COC(=O)C[C@@H]1CSCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000576108031 438769413 /nfs/dbraw/zinc/76/94/13/438769413.db2.gz KGFLGDYQYAIMPC-QWHCGFSZSA-N 1 3 329.466 0.164 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC(C)C1 ZINC000456691342 438778944 /nfs/dbraw/zinc/77/89/44/438778944.db2.gz DFCDQSKBHOAEDM-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO C[NH+](C)C[C@H](O)CNC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000497216263 438780548 /nfs/dbraw/zinc/78/05/48/438780548.db2.gz VLJYOSFDIKWCDH-RHSMWYFYSA-N 1 3 345.484 0.651 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000514603856 438818650 /nfs/dbraw/zinc/81/86/50/438818650.db2.gz SCBVPGMDGIHZIV-QLFBSQMISA-N 1 3 326.485 0.855 20 0 ECADHO CC1CC[NH+](CCNC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000457697718 438819755 /nfs/dbraw/zinc/81/97/55/438819755.db2.gz UQMASMKNQRDSCW-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO O=C(C(=O)N1CCCNCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000577214679 438824731 /nfs/dbraw/zinc/82/47/31/438824731.db2.gz ZJRVUKZAYRGVCA-ZBFHGGJFSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(C(=O)N1CCCNCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000577214679 438824734 /nfs/dbraw/zinc/82/47/34/438824734.db2.gz ZJRVUKZAYRGVCA-ZBFHGGJFSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1CCO)C[NH+]1CCCC1 ZINC000457871165 438836941 /nfs/dbraw/zinc/83/69/41/438836941.db2.gz BKFXAHZYFNROQC-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CC(C)Oc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000560371161 438837936 /nfs/dbraw/zinc/83/79/36/438837936.db2.gz NFHCRMQVUFSWBM-UHFFFAOYSA-N 1 3 338.456 1.221 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN1CCCO)C[NH+]1CCCC1 ZINC000457885215 438838371 /nfs/dbraw/zinc/83/83/71/438838371.db2.gz PRPRZWPSJGRDFD-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577394932 438838958 /nfs/dbraw/zinc/83/89/58/438838958.db2.gz HQVCELXVYNIKST-CABCVRRESA-N 1 3 337.468 0.073 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000577475375 438844732 /nfs/dbraw/zinc/84/47/32/438844732.db2.gz UGNIFLJVADCVKU-CABCVRRESA-N 1 3 325.501 0.829 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)C2)C1 ZINC000516308514 438901553 /nfs/dbraw/zinc/90/15/53/438901553.db2.gz GZGLIJBHERYGEW-AFIMGQEJSA-N 1 3 334.464 0.126 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000515233278 438857547 /nfs/dbraw/zinc/85/75/47/438857547.db2.gz UHRIXFKVJDNSJW-JJXSEGSLSA-N 1 3 334.464 0.140 20 0 ECADHO CC(C)[C@@H](C(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@H](C)[NH3+] ZINC000515839631 438881517 /nfs/dbraw/zinc/88/15/17/438881517.db2.gz MCEDYCGAMGOMMR-XJKSGUPXSA-N 1 3 326.485 0.665 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516091592 438891906 /nfs/dbraw/zinc/89/19/06/438891906.db2.gz NTPYYXZIAPVNSP-BHYGNILZSA-N 1 3 344.459 0.491 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000458750906 438913573 /nfs/dbraw/zinc/91/35/73/438913573.db2.gz FZTXCPUJXMZJPD-AWEZNQCLSA-N 1 3 327.473 0.228 20 0 ECADHO CC(C)(CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C[NH+]1CCCC1 ZINC000516879102 438932212 /nfs/dbraw/zinc/93/22/12/438932212.db2.gz LZRXXTGQJWLTJI-ZIAGYGMSSA-N 1 3 337.468 0.062 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000517229866 438956635 /nfs/dbraw/zinc/95/66/35/438956635.db2.gz BYQHLMKFGRZQJX-GJYPPUQNSA-N 1 3 348.491 0.674 20 0 ECADHO Cc1cc(C)n2nc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nc2n1 ZINC000590798333 438959337 /nfs/dbraw/zinc/95/93/37/438959337.db2.gz JOAIBSPJBQZNPJ-UHFFFAOYSA-N 1 3 348.455 0.698 20 0 ECADHO Cc1cc(NC(=O)CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)no1 ZINC000565660640 438969013 /nfs/dbraw/zinc/96/90/13/438969013.db2.gz MLPBZRPKFVSETM-OAHLLOKOSA-N 1 3 335.452 0.929 20 0 ECADHO COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000591039420 438978619 /nfs/dbraw/zinc/97/86/19/438978619.db2.gz JGRQPQCLGMSCGY-CABCVRRESA-N 1 3 325.453 0.907 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000565823687 438980588 /nfs/dbraw/zinc/98/05/88/438980588.db2.gz PBCKZBWEWXXFSE-HOTGVXAUSA-N 1 3 325.501 0.639 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000565823687 438980593 /nfs/dbraw/zinc/98/05/93/438980593.db2.gz PBCKZBWEWXXFSE-HOTGVXAUSA-N 1 3 325.501 0.639 20 0 ECADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000518470573 438997864 /nfs/dbraw/zinc/99/78/64/438997864.db2.gz BSQGGKNOTHKODN-HNNXBMFYSA-N 1 3 337.468 0.030 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000566108983 439006606 /nfs/dbraw/zinc/00/66/06/439006606.db2.gz HXQJMKPYVMHWNO-FGTMMUONSA-N 1 3 340.556 0.941 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000566108983 439006616 /nfs/dbraw/zinc/00/66/16/439006616.db2.gz HXQJMKPYVMHWNO-FGTMMUONSA-N 1 3 340.556 0.941 20 0 ECADHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000566108983 439006620 /nfs/dbraw/zinc/00/66/20/439006620.db2.gz HXQJMKPYVMHWNO-FGTMMUONSA-N 1 3 340.556 0.941 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000459995524 439052125 /nfs/dbraw/zinc/05/21/25/439052125.db2.gz OLUCKMVPLVVDBE-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000459995524 439052129 /nfs/dbraw/zinc/05/21/29/439052129.db2.gz OLUCKMVPLVVDBE-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(=O)N(C)C)CC2)CC1 ZINC000566441248 439055263 /nfs/dbraw/zinc/05/52/63/439055263.db2.gz BZMDOFITMMMHSK-CQSZACIVSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000459922620 439035690 /nfs/dbraw/zinc/03/56/90/439035690.db2.gz QNNYQTXCZNNVHM-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CN1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H]1c1ccccc1 ZINC000567148626 439118243 /nfs/dbraw/zinc/11/82/43/439118243.db2.gz AWFAUYSVWGTWQA-IKGGRYGDSA-N 1 3 331.464 0.635 20 0 ECADHO CC[NH2+]CCCNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000580532124 439100333 /nfs/dbraw/zinc/10/03/33/439100333.db2.gz LNNLSGICEAFZDU-UHFFFAOYSA-N 1 3 348.495 0.893 20 0 ECADHO CSCC[C@@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000602537679 439107275 /nfs/dbraw/zinc/10/72/75/439107275.db2.gz CACDONBIZPRTJA-CQSZACIVSA-N 1 3 338.477 0.997 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000521217719 439110767 /nfs/dbraw/zinc/11/07/67/439110767.db2.gz SQUONRPVZDRMIA-OCCSQVGLSA-N 1 3 346.422 0.878 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000566508832 439067506 /nfs/dbraw/zinc/06/75/06/439067506.db2.gz LZOJQWWYLHXVMP-NILFDRSVSA-N 1 3 331.420 0.160 20 0 ECADHO CCC[C@@H]1CNCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000567573023 439154351 /nfs/dbraw/zinc/15/43/51/439154351.db2.gz PGVVSPJPDUWUOT-OFLPRAFFSA-N 1 3 337.512 0.986 20 0 ECADHO CCC[C@@H]1CNCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000567573023 439154357 /nfs/dbraw/zinc/15/43/57/439154357.db2.gz PGVVSPJPDUWUOT-OFLPRAFFSA-N 1 3 337.512 0.986 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000567623632 439158504 /nfs/dbraw/zinc/15/85/04/439158504.db2.gz YSPBISRXAKZNDE-HOTGVXAUSA-N 1 3 331.464 0.932 20 0 ECADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)CN1CCN(C)CC1 ZINC000567680880 439165055 /nfs/dbraw/zinc/16/50/55/439165055.db2.gz HBMASJYTFJUOIQ-XWTMOSNGSA-N 1 3 326.529 0.551 20 0 ECADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)CN1CCN(C)CC1 ZINC000567680880 439165059 /nfs/dbraw/zinc/16/50/59/439165059.db2.gz HBMASJYTFJUOIQ-XWTMOSNGSA-N 1 3 326.529 0.551 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000567680880 439165061 /nfs/dbraw/zinc/16/50/61/439165061.db2.gz HBMASJYTFJUOIQ-XWTMOSNGSA-N 1 3 326.529 0.551 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000581188869 439180589 /nfs/dbraw/zinc/18/05/89/439180589.db2.gz ZSROSZUUBCOKRT-OAGGEKHMSA-N 1 3 338.496 0.953 20 0 ECADHO COCCN(C)CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524393351 439184711 /nfs/dbraw/zinc/18/47/11/439184711.db2.gz FRZWZSGTOUOHIQ-SFHVURJKSA-N 1 3 335.448 0.318 20 0 ECADHO COCCN(C)CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524393351 439184717 /nfs/dbraw/zinc/18/47/17/439184717.db2.gz FRZWZSGTOUOHIQ-SFHVURJKSA-N 1 3 335.448 0.318 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000581385253 439208234 /nfs/dbraw/zinc/20/82/34/439208234.db2.gz UYGQXNXJRPKBKR-GDBMZVCRSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC[NH2+]1 ZINC000568236047 439228837 /nfs/dbraw/zinc/22/88/37/439228837.db2.gz YFAMYJROFWOQPF-CABCVRRESA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000568507898 439252418 /nfs/dbraw/zinc/25/24/18/439252418.db2.gz OLLXEYVPIBMFFN-KFWWJZLASA-N 1 3 332.452 0.729 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592558868 439255869 /nfs/dbraw/zinc/25/58/69/439255869.db2.gz BEJAXPFQZHVCPE-GJZGRUSLSA-N 1 3 349.479 0.902 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000527381652 439269311 /nfs/dbraw/zinc/26/93/11/439269311.db2.gz VOUGHRXNVCNMMD-UHFFFAOYSA-N 1 3 325.461 0.990 20 0 ECADHO C[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000582136133 439296895 /nfs/dbraw/zinc/29/68/95/439296895.db2.gz BKRKBVAZHUINQA-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000582259885 439311810 /nfs/dbraw/zinc/31/18/10/439311810.db2.gz SGCRAPXRQKAXIT-ZIAGYGMSSA-N 1 3 342.484 0.010 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000569767840 439361123 /nfs/dbraw/zinc/36/11/23/439361123.db2.gz QPTCKPMXMUTOKE-GDBMZVCRSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000569767840 439361127 /nfs/dbraw/zinc/36/11/27/439361127.db2.gz QPTCKPMXMUTOKE-GDBMZVCRSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000582716027 439372290 /nfs/dbraw/zinc/37/22/90/439372290.db2.gz WETDOVDZASBLON-KBXCAEBGSA-N 1 3 336.480 0.435 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCCCN1CCN(C)CC1 ZINC000605982515 439393643 /nfs/dbraw/zinc/39/36/43/439393643.db2.gz OFAMXBYYJBXCLH-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCCCN1CCN(C)CC1 ZINC000605982515 439393650 /nfs/dbraw/zinc/39/36/50/439393650.db2.gz OFAMXBYYJBXCLH-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1(C)C ZINC000583084172 439418350 /nfs/dbraw/zinc/41/83/50/439418350.db2.gz ZYWZQEDLIUDGCA-ZXFNITATSA-N 1 3 339.480 0.874 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)C1 ZINC000606703891 439422010 /nfs/dbraw/zinc/42/20/10/439422010.db2.gz HRMGVYTWHDHXGC-ROUUACIJSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000606703891 439422016 /nfs/dbraw/zinc/42/20/16/439422016.db2.gz HRMGVYTWHDHXGC-ROUUACIJSA-N 1 3 349.523 0.892 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000570697552 439444041 /nfs/dbraw/zinc/44/40/41/439444041.db2.gz VKFWQWXREYLFJF-SJORKVTESA-N 1 3 346.475 0.473 20 0 ECADHO COC(=O)C1CCN(C(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000571047222 439470154 /nfs/dbraw/zinc/47/01/54/439470154.db2.gz LSKZMDINUKSTGL-JKSUJKDBSA-N 1 3 337.464 0.720 20 0 ECADHO Cc1nc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)sc1C ZINC000583730978 439503273 /nfs/dbraw/zinc/50/32/73/439503273.db2.gz GVPWDUKRUASLQV-UHFFFAOYSA-N 1 3 341.481 0.650 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C\CN(C)C)[C@@H](C)CN1C(=O)/C=C\C[NH+](C)C ZINC000492184704 439505909 /nfs/dbraw/zinc/50/59/09/439505909.db2.gz NHOLIRYDJNQVQQ-RQBLAGOISA-N 1 3 336.480 0.670 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)[C@@H](C)CN1C(=O)/C=C\CN(C)C ZINC000492184704 439505914 /nfs/dbraw/zinc/50/59/14/439505914.db2.gz NHOLIRYDJNQVQQ-RQBLAGOISA-N 1 3 336.480 0.670 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000584170213 439556886 /nfs/dbraw/zinc/55/68/86/439556886.db2.gz DAQYQXAVHMPQLP-DLBZAZTESA-N 1 3 347.463 0.087 20 0 ECADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)C(=O)NC1C[NH2+]C1 ZINC000571533017 439512358 /nfs/dbraw/zinc/51/23/58/439512358.db2.gz XZIPSUBLKCZXHL-UHFFFAOYSA-N 1 3 346.431 0.578 20 0 ECADHO Cc1cc(NC(=O)CCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)no1 ZINC000572384383 439578838 /nfs/dbraw/zinc/57/88/38/439578838.db2.gz UVJKITIFZKEGEJ-RHSMWYFYSA-N 1 3 336.436 1.530 20 0 ECADHO C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000492967908 439592224 /nfs/dbraw/zinc/59/22/24/439592224.db2.gz DVERNMJQDKCMIX-ZDUSSCGKSA-N 1 3 330.473 0.851 20 0 ECADHO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCCO1 ZINC000572600868 439594784 /nfs/dbraw/zinc/59/47/84/439594784.db2.gz QGWRIIDXSJSDQE-SJORKVTESA-N 1 3 332.448 0.870 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CCN2C1=O ZINC000594873688 439634862 /nfs/dbraw/zinc/63/48/62/439634862.db2.gz KYHRELXJUNJNJK-HZPDHXFCSA-N 1 3 342.443 0.078 20 0 ECADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000573319954 439640367 /nfs/dbraw/zinc/64/03/67/439640367.db2.gz DMHHXCNMTSVEHN-BBRMVZONSA-N 1 3 332.448 0.592 20 0 ECADHO O=C(CCN1CC[C@H](N2CC[NH2+]CC2)C1)NC(=O)Nc1ccccc1 ZINC000573348216 439641379 /nfs/dbraw/zinc/64/13/79/439641379.db2.gz YHNFBYNSOSEXOY-INIZCTEOSA-N 1 3 345.447 0.704 20 0 ECADHO C[NH+](C)CC1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCC1 ZINC000573340078 439641670 /nfs/dbraw/zinc/64/16/70/439641670.db2.gz HGDATZYJJQWIDH-KGLIPLIRSA-N 1 3 337.468 0.062 20 0 ECADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000594945942 439643670 /nfs/dbraw/zinc/64/36/70/439643670.db2.gz JIBXXMZDPNGWCL-BZUAXINKSA-N 1 3 339.480 0.570 20 0 ECADHO CN1CCC(C[NH2+]C[C@](C)(O)C(F)(F)F)(N2CCOCC2)CC1 ZINC000573438193 439645541 /nfs/dbraw/zinc/64/55/41/439645541.db2.gz DKGKGQCEBCELMO-ZDUSSCGKSA-N 1 3 339.402 0.686 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000573548941 439651944 /nfs/dbraw/zinc/65/19/44/439651944.db2.gz MOKNDXYCBZDPME-GOSISDBHSA-N 1 3 347.463 0.917 20 0 ECADHO COC(=O)CCCCN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000600711051 439694195 /nfs/dbraw/zinc/69/41/95/439694195.db2.gz QNFANRREJXUOBX-LSDHHAIUSA-N 1 3 338.452 0.550 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000612547072 439727263 /nfs/dbraw/zinc/72/72/63/439727263.db2.gz ZDUXBVPVHOTHSP-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000612547072 439727266 /nfs/dbraw/zinc/72/72/66/439727266.db2.gz ZDUXBVPVHOTHSP-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000612551175 439728731 /nfs/dbraw/zinc/72/87/31/439728731.db2.gz LSCFGNMYAVNKNQ-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CCN(C(=O)C(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1CCN(CC)C1 ZINC000611942477 439737614 /nfs/dbraw/zinc/73/76/14/439737614.db2.gz UJTBXDNJFJFJEB-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1CCN(CC)C1 ZINC000611942477 439737615 /nfs/dbraw/zinc/73/76/15/439737615.db2.gz UJTBXDNJFJFJEB-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@]1(NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC[NH2+]C1 ZINC000612898690 439745008 /nfs/dbraw/zinc/74/50/08/439745008.db2.gz GQXSBSATCDELQW-WMZOPIPTSA-N 1 3 332.448 0.804 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000652408683 439840598 /nfs/dbraw/zinc/84/05/98/439840598.db2.gz MIVQCCHGXMUQPM-MRXNPFEDSA-N 1 3 338.496 0.731 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000652408683 439840603 /nfs/dbraw/zinc/84/06/03/439840603.db2.gz MIVQCCHGXMUQPM-MRXNPFEDSA-N 1 3 338.496 0.731 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000652408804 439840642 /nfs/dbraw/zinc/84/06/42/439840642.db2.gz ZHTICHSENGPPII-INIZCTEOSA-N 1 3 340.512 0.881 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000652408804 439840650 /nfs/dbraw/zinc/84/06/50/439840650.db2.gz ZHTICHSENGPPII-INIZCTEOSA-N 1 3 340.512 0.881 20 0 ECADHO O=C(NC[C@@H]1CCN(C2CC2)C1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662682760 439843878 /nfs/dbraw/zinc/84/38/78/439843878.db2.gz UGEPUTQLQFTEER-ZFWWWQNUSA-N 1 3 332.452 0.807 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000652429459 439845895 /nfs/dbraw/zinc/84/58/95/439845895.db2.gz RYBXCDDCZGZSDI-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000652429459 439845899 /nfs/dbraw/zinc/84/58/99/439845899.db2.gz RYBXCDDCZGZSDI-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])ccc2oc1=O ZINC000662701126 439852786 /nfs/dbraw/zinc/85/27/86/439852786.db2.gz MAWCPNNLTVUSMN-WFASDCNBSA-N 1 3 348.403 0.458 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662764043 439882411 /nfs/dbraw/zinc/88/24/11/439882411.db2.gz LZCYUUPEDDNJBT-CQSZACIVSA-N 1 3 341.419 0.886 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cn1 ZINC000652620779 439893330 /nfs/dbraw/zinc/89/33/30/439893330.db2.gz RCGCLIVJBZYGEN-UHFFFAOYSA-N 1 3 336.440 0.161 20 0 ECADHO CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617503917 439897895 /nfs/dbraw/zinc/89/78/95/439897895.db2.gz AMOXTHYPJCHLLX-HOCLYGCPSA-N 1 3 326.485 0.633 20 0 ECADHO CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617503917 439897903 /nfs/dbraw/zinc/89/79/03/439897903.db2.gz AMOXTHYPJCHLLX-HOCLYGCPSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCCCCC1=O ZINC000617503703 439900775 /nfs/dbraw/zinc/90/07/75/439900775.db2.gz VJKBJXOESCMMRJ-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCCCCC1=O ZINC000617503703 439900780 /nfs/dbraw/zinc/90/07/80/439900780.db2.gz VJKBJXOESCMMRJ-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ncc1C(N)=O ZINC000617503495 439901106 /nfs/dbraw/zinc/90/11/06/439901106.db2.gz LOWUUTYGFBIFER-ZDUSSCGKSA-N 1 3 335.452 0.491 20 0 ECADHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ncc1C(N)=O ZINC000617503495 439901112 /nfs/dbraw/zinc/90/11/12/439901112.db2.gz LOWUUTYGFBIFER-ZDUSSCGKSA-N 1 3 335.452 0.491 20 0 ECADHO Cc1occc1C(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506459 439901295 /nfs/dbraw/zinc/90/12/95/439901295.db2.gz OFLSULOINLFRER-ZDUSSCGKSA-N 1 3 338.452 0.706 20 0 ECADHO Cc1occc1C(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506459 439901299 /nfs/dbraw/zinc/90/12/99/439901299.db2.gz OFLSULOINLFRER-ZDUSSCGKSA-N 1 3 338.452 0.706 20 0 ECADHO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503939 439902197 /nfs/dbraw/zinc/90/21/97/439902197.db2.gz BIMPIBJXQBZJEX-UONOGXRCSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503939 439902200 /nfs/dbraw/zinc/90/22/00/439902200.db2.gz BIMPIBJXQBZJEX-UONOGXRCSA-N 1 3 328.501 0.925 20 0 ECADHO CO[C@H]1COCC[C@H]1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507912 439903691 /nfs/dbraw/zinc/90/36/91/439903691.db2.gz OLJAHJJFQDHBCP-JYJNAYRXSA-N 1 3 329.485 0.816 20 0 ECADHO CO[C@H]1COCC[C@H]1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507912 439903696 /nfs/dbraw/zinc/90/36/96/439903696.db2.gz OLJAHJJFQDHBCP-JYJNAYRXSA-N 1 3 329.485 0.816 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662835716 439908078 /nfs/dbraw/zinc/90/80/78/439908078.db2.gz RPJJMICWKZYRIW-LZWOXQAQSA-N 1 3 332.452 0.949 20 0 ECADHO O=C(C[C@H]1CNCCO1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662861270 439916502 /nfs/dbraw/zinc/91/65/02/439916502.db2.gz ZHGLHPRLRPACDD-SJORKVTESA-N 1 3 333.432 0.248 20 0 ECADHO O=C(C[C@H]1CNCCO1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662861270 439916511 /nfs/dbraw/zinc/91/65/11/439916511.db2.gz ZHGLHPRLRPACDD-SJORKVTESA-N 1 3 333.432 0.248 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662859471 439916586 /nfs/dbraw/zinc/91/65/86/439916586.db2.gz NEKCQYXNDSJTEV-YQVWRLOYSA-N 1 3 329.444 0.869 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000641801456 439919021 /nfs/dbraw/zinc/91/90/21/439919021.db2.gz CJWNFHLPHIKHLV-ILXRZTDVSA-N 1 3 326.485 0.175 20 0 ECADHO C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631912337 439973146 /nfs/dbraw/zinc/97/31/46/439973146.db2.gz HNKFTGPHWXCIFM-HUUCEWRRSA-N 1 3 346.541 0.873 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642330488 439974453 /nfs/dbraw/zinc/97/44/53/439974453.db2.gz MQUGFKIOVYRRLX-FZKCQIBNSA-N 1 3 338.496 0.727 20 0 ECADHO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017149 439989218 /nfs/dbraw/zinc/98/92/18/439989218.db2.gz IFAADMHFRKSVBI-KQTLUZQSSA-N 1 3 344.463 0.276 20 0 ECADHO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014063 439990560 /nfs/dbraw/zinc/99/05/60/439990560.db2.gz IZRBVUQYAUDWCW-KBPBESRZSA-N 1 3 332.452 0.277 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3Cc4cncn4C3)CC2)CC1 ZINC000636683005 439991256 /nfs/dbraw/zinc/99/12/56/439991256.db2.gz WUMWJUNJLDNCAO-HNNXBMFYSA-N 1 3 346.479 0.666 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000642644473 439996972 /nfs/dbraw/zinc/99/69/72/439996972.db2.gz NRKOJEJCELMKKB-ARFHVFGLSA-N 1 3 338.496 0.809 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000627116789 440013858 /nfs/dbraw/zinc/01/38/58/440013858.db2.gz NFDFACXQWOXGTI-HNNXBMFYSA-N 1 3 328.457 0.117 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[C@@H]1[NH3+] ZINC000642780489 440032915 /nfs/dbraw/zinc/03/29/15/440032915.db2.gz DHZBLCHKAXPCFT-SJORKVTESA-N 1 3 346.475 0.950 20 0 ECADHO CC(C)(C[NH3+])C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663015408 439988718 /nfs/dbraw/zinc/98/87/18/439988718.db2.gz VIVVOGJIQIILFQ-ZDUSSCGKSA-N 1 3 334.468 0.510 20 0 ECADHO NCC(=O)N1CCC[C@@H](CN(Cc2cccnc2)C[C@@H]2CC[NH2+]C2)C1 ZINC000647520566 440061847 /nfs/dbraw/zinc/06/18/47/440061847.db2.gz PQHDVRKCMULMBD-MSOLQXFVSA-N 1 3 345.491 0.690 20 0 ECADHO C[C@H]1CN(CCCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H](C)O1 ZINC000653111087 440066742 /nfs/dbraw/zinc/06/67/42/440066742.db2.gz CQJKUBHPXZMQIL-JKQORVJESA-N 1 3 325.453 0.228 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC[NH2+]1 ZINC000642984320 440076105 /nfs/dbraw/zinc/07/61/05/440076105.db2.gz ICVBLOOPTLJDAX-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642990025 440077972 /nfs/dbraw/zinc/07/79/72/440077972.db2.gz GENFSTPNFWYWOS-HOCLYGCPSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)C1=CC[N@H+](C)CC1 ZINC000636908931 440089907 /nfs/dbraw/zinc/08/99/07/440089907.db2.gz QMFVCRQOPYEAIH-PBHICJAKSA-N 1 3 348.491 0.886 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000636908931 440089912 /nfs/dbraw/zinc/08/99/12/440089912.db2.gz QMFVCRQOPYEAIH-PBHICJAKSA-N 1 3 348.491 0.886 20 0 ECADHO O=S(=O)(CCCN1CCCC1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000632009683 440039929 /nfs/dbraw/zinc/03/99/29/440039929.db2.gz BVWCTVSOUMRBAX-INIZCTEOSA-N 1 3 347.525 0.629 20 0 ECADHO O=S(=O)(CCCN1CCCC1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000632009683 440039932 /nfs/dbraw/zinc/03/99/32/440039932.db2.gz BVWCTVSOUMRBAX-INIZCTEOSA-N 1 3 347.525 0.629 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[NH2+]1 ZINC000627195906 440040142 /nfs/dbraw/zinc/04/01/42/440040142.db2.gz FXHQWWWREYMZGF-CABCVRRESA-N 1 3 337.468 0.077 20 0 ECADHO C[C@H]1C[C@H](N(C)S(=O)(=O)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000632026367 440046545 /nfs/dbraw/zinc/04/65/45/440046545.db2.gz DQARFSLDMMXJRJ-JKSUJKDBSA-N 1 3 346.541 0.368 20 0 ECADHO C[C@H]1C[C@H](N(C)S(=O)(=O)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC000632026367 440046551 /nfs/dbraw/zinc/04/65/51/440046551.db2.gz DQARFSLDMMXJRJ-JKSUJKDBSA-N 1 3 346.541 0.368 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000642808202 440047696 /nfs/dbraw/zinc/04/76/96/440047696.db2.gz IEIOPOZRLFEVEU-BBRMVZONSA-N 1 3 332.448 0.477 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642901996 440052282 /nfs/dbraw/zinc/05/22/82/440052282.db2.gz HXMQWFMVXNDEBY-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642900721 440053389 /nfs/dbraw/zinc/05/33/89/440053389.db2.gz QLAHPCPJBSPDDC-GZNJTBKBSA-N 1 3 334.464 0.471 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642895233 440053552 /nfs/dbraw/zinc/05/35/52/440053552.db2.gz QWLPCMNBONXYPO-INIZCTEOSA-N 1 3 332.448 0.445 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000627353847 440144644 /nfs/dbraw/zinc/14/46/44/440144644.db2.gz LXFRCFQHTFUFJS-XJKSGUPXSA-N 1 3 344.459 0.068 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000643392021 440134076 /nfs/dbraw/zinc/13/40/76/440134076.db2.gz LAYVFWWFDOGMOB-GOEBONIOSA-N 1 3 338.496 0.774 20 0 ECADHO CCN(C(=O)C(=O)N(C)CCN1CCCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000658823345 440136975 /nfs/dbraw/zinc/13/69/75/440136975.db2.gz VYXSLOQXQHBQIH-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CCN(C(=O)C(=O)N(C)CCN1CCCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658823345 440136979 /nfs/dbraw/zinc/13/69/79/440136979.db2.gz VYXSLOQXQHBQIH-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[NH2+]1 ZINC000627292964 440101488 /nfs/dbraw/zinc/10/14/88/440101488.db2.gz IETWWDPSCCKOFE-PVAVHDDUSA-N 1 3 346.475 0.532 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CCN1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000653429884 440169748 /nfs/dbraw/zinc/16/97/48/440169748.db2.gz QATCGJRKAWYXFI-HNNXBMFYSA-N 1 3 336.480 0.697 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CCN1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000653429884 440169754 /nfs/dbraw/zinc/16/97/54/440169754.db2.gz QATCGJRKAWYXFI-HNNXBMFYSA-N 1 3 336.480 0.697 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478944 440179884 /nfs/dbraw/zinc/17/98/84/440179884.db2.gz UATSKTRLDLSTJO-HNNXBMFYSA-N 1 3 345.447 0.188 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCCC3)C[C@H]12 ZINC000643494600 440186656 /nfs/dbraw/zinc/18/66/56/440186656.db2.gz HWCNBMOKTQZJBK-WCXIOVBPSA-N 1 3 348.491 0.659 20 0 ECADHO CN(C)CCN1CCC([NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000647908765 440188666 /nfs/dbraw/zinc/18/86/66/440188666.db2.gz FFIPAJDOKOSQKV-UHFFFAOYSA-N 1 3 326.529 0.837 20 0 ECADHO COCCN(C)CCCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663692739 440152028 /nfs/dbraw/zinc/15/20/28/440152028.db2.gz XFQDIKOZMCXQEM-MRXNPFEDSA-N 1 3 342.484 0.195 20 0 ECADHO COCCN(C)CCCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663692739 440152035 /nfs/dbraw/zinc/15/20/35/440152035.db2.gz XFQDIKOZMCXQEM-MRXNPFEDSA-N 1 3 342.484 0.195 20 0 ECADHO COC[C@H](CCC[NH3+])NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000647800550 440154476 /nfs/dbraw/zinc/15/44/76/440154476.db2.gz FDHIIDKTCHKGQO-QWHCGFSZSA-N 1 3 328.434 0.565 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627457761 440217118 /nfs/dbraw/zinc/21/71/18/440217118.db2.gz IYUUYXLRGHGZJA-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643592849 440218387 /nfs/dbraw/zinc/21/83/87/440218387.db2.gz TYIMTMDQSQXXOV-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000643545330 440207761 /nfs/dbraw/zinc/20/77/61/440207761.db2.gz BIZCSGZAYYBRSF-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000659103705 440250289 /nfs/dbraw/zinc/25/02/89/440250289.db2.gz UWAGYHJDGSUZJN-CQSZACIVSA-N 1 3 330.432 0.871 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664183153 440252371 /nfs/dbraw/zinc/25/23/71/440252371.db2.gz RZBSJFPWOFGDCU-RDJZCZTQSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664183153 440252376 /nfs/dbraw/zinc/25/23/76/440252376.db2.gz RZBSJFPWOFGDCU-RDJZCZTQSA-N 1 3 336.480 0.711 20 0 ECADHO CN(CC1CN(C)C1)c1cc(N(C)CC2C[NH+](C)C2)n2ncnc2n1 ZINC000664330600 440291323 /nfs/dbraw/zinc/29/13/23/440291323.db2.gz MOGIIWOIQMBLDH-UHFFFAOYSA-N 1 3 344.467 0.120 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000664414243 440305214 /nfs/dbraw/zinc/30/52/14/440305214.db2.gz QRDRJVOQWNEPCT-ZFWWWQNUSA-N 1 3 336.484 0.838 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000664414243 440305218 /nfs/dbraw/zinc/30/52/18/440305218.db2.gz QRDRJVOQWNEPCT-ZFWWWQNUSA-N 1 3 336.484 0.838 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000659558107 440363107 /nfs/dbraw/zinc/36/31/07/440363107.db2.gz XNGKLBYJIRPLSZ-QLFBSQMISA-N 1 3 339.484 0.036 20 0 ECADHO CN(C)CCOCCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000664732314 440366660 /nfs/dbraw/zinc/36/66/60/440366660.db2.gz UZZQYBWUVNMQAV-INIZCTEOSA-N 1 3 326.485 0.986 20 0 ECADHO CN(C)CCOCCNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664732314 440366667 /nfs/dbraw/zinc/36/66/67/440366667.db2.gz UZZQYBWUVNMQAV-INIZCTEOSA-N 1 3 326.485 0.986 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000659448977 440329394 /nfs/dbraw/zinc/32/93/94/440329394.db2.gz YOAKMMOJXWQJNS-CABCVRRESA-N 1 3 341.500 0.602 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)c(OCCN(C)C)c1 ZINC000633040306 440417339 /nfs/dbraw/zinc/41/73/39/440417339.db2.gz WMJXBDPQQFRPIE-KGLIPLIRSA-N 1 3 348.447 0.822 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000638077436 440427017 /nfs/dbraw/zinc/42/70/17/440427017.db2.gz SLDHGXZHQDBVJJ-QSJFSLAZSA-N 1 3 327.469 0.759 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000659693211 440427374 /nfs/dbraw/zinc/42/73/74/440427374.db2.gz YNKLJHYTYMRNSD-UHFFFAOYSA-N 1 3 334.464 0.459 20 0 ECADHO CCCN1CC[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000659613309 440375313 /nfs/dbraw/zinc/37/53/13/440375313.db2.gz ZQLBIJGEZWEULR-GJZGRUSLSA-N 1 3 339.484 0.500 20 0 ECADHO C[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@@H]1N1CCN(C)CC1 ZINC000659616113 440376412 /nfs/dbraw/zinc/37/64/12/440376412.db2.gz RGBAHNGQOIDUDW-CTMQZQKCSA-N 1 3 335.496 0.406 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659625158 440379305 /nfs/dbraw/zinc/37/93/05/440379305.db2.gz OQHLXBYYJKRMGP-OAHLLOKOSA-N 1 3 341.500 0.555 20 0 ECADHO CN(CCN1CC[NH2+]CC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000649271653 440427914 /nfs/dbraw/zinc/42/79/14/440427914.db2.gz QLQAYQKBXJLPOH-UHFFFAOYSA-N 1 3 338.496 0.385 20 0 ECADHO CN1CCC(n2cc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cn2)CC1 ZINC000632998971 440402962 /nfs/dbraw/zinc/40/29/62/440402962.db2.gz KTCOJGYASOLWPK-LBPRGKRZSA-N 1 3 334.424 0.038 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000659675449 440409113 /nfs/dbraw/zinc/40/91/13/440409113.db2.gz UZIQACXIIDUHMZ-DLBZAZTESA-N 1 3 348.491 0.765 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)C[C@H]1C[NH3+] ZINC000633025339 440410601 /nfs/dbraw/zinc/41/06/01/440410601.db2.gz JCISGUHJQDKHQV-ZIAGYGMSSA-N 1 3 348.447 0.619 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638050195 440411288 /nfs/dbraw/zinc/41/12/88/440411288.db2.gz SRDYHGLPLDMQGU-WDEREUQCSA-N 1 3 342.394 0.964 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649327957 440467546 /nfs/dbraw/zinc/46/75/46/440467546.db2.gz RVXKBPLGQLGONP-OAGGEKHMSA-N 1 3 330.432 0.345 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000649330326 440470826 /nfs/dbraw/zinc/47/08/26/440470826.db2.gz QRKYBLHVMRCZGV-ZDUSSCGKSA-N 1 3 346.422 0.290 20 0 ECADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000659741774 440478121 /nfs/dbraw/zinc/47/81/21/440478121.db2.gz OJXCELJSEXDXEJ-SWKXRBFHSA-N 1 3 334.464 0.332 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000659741575 440478537 /nfs/dbraw/zinc/47/85/37/440478537.db2.gz OWIAMXFEKPOOFA-BZUAXINKSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000659742211 440478719 /nfs/dbraw/zinc/47/87/19/440478719.db2.gz QFZXDENNPOVKIQ-QLFBSQMISA-N 1 3 326.485 0.855 20 0 ECADHO O=C(N1CCN(c2ccncc2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000649349436 440479028 /nfs/dbraw/zinc/47/90/28/440479028.db2.gz GTNIZOBODWZAAU-UHFFFAOYSA-N 1 3 340.431 0.706 20 0 ECADHO CN(CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)C1CC1 ZINC000638084243 440429457 /nfs/dbraw/zinc/42/94/57/440429457.db2.gz QZFLGFNRDQDFEA-JTQLQIEISA-N 1 3 328.367 0.574 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC000628215877 440434867 /nfs/dbraw/zinc/43/48/67/440434867.db2.gz WZFFJLQFKYYZJK-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000628215877 440434876 /nfs/dbraw/zinc/43/48/76/440434876.db2.gz WZFFJLQFKYYZJK-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000628215877 440434881 /nfs/dbraw/zinc/43/48/81/440434881.db2.gz WZFFJLQFKYYZJK-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC000628215877 440434888 /nfs/dbraw/zinc/43/48/88/440434888.db2.gz WZFFJLQFKYYZJK-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000628215877 440434893 /nfs/dbraw/zinc/43/48/93/440434893.db2.gz WZFFJLQFKYYZJK-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638099764 440436275 /nfs/dbraw/zinc/43/62/75/440436275.db2.gz IQBBJMBACVEVNT-DLBZAZTESA-N 1 3 334.464 0.283 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638099764 440436279 /nfs/dbraw/zinc/43/62/79/440436279.db2.gz IQBBJMBACVEVNT-DLBZAZTESA-N 1 3 334.464 0.283 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000659702982 440436373 /nfs/dbraw/zinc/43/63/73/440436373.db2.gz YJJLJTOFNWRRJP-IUODEOHRSA-N 1 3 330.498 0.030 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000659704363 440439357 /nfs/dbraw/zinc/43/93/57/440439357.db2.gz LGJGQGPHEICZCC-OAHLLOKOSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)n1 ZINC000654932538 440439419 /nfs/dbraw/zinc/43/94/19/440439419.db2.gz ACQSIRYWNQYFBI-USXIJHARSA-N 1 3 349.479 0.768 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000659704307 440439605 /nfs/dbraw/zinc/43/96/05/440439605.db2.gz MGNNUYBBIRQIPE-UXLLHSPISA-N 1 3 346.475 0.880 20 0 ECADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659712886 440446758 /nfs/dbraw/zinc/44/67/58/440446758.db2.gz GTOUMUHBGJNKPI-GJZGRUSLSA-N 1 3 336.480 0.768 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000659713941 440449556 /nfs/dbraw/zinc/44/95/56/440449556.db2.gz RRGACDKGWXXYHP-HUUCEWRRSA-N 1 3 332.448 0.792 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000659713941 440449565 /nfs/dbraw/zinc/44/95/65/440449565.db2.gz RRGACDKGWXXYHP-HUUCEWRRSA-N 1 3 332.448 0.792 20 0 ECADHO COc1cccc([C@H](N)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000638118376 440450379 /nfs/dbraw/zinc/45/03/79/440450379.db2.gz YTGKYJLKVDLAQF-QAPCUYQASA-N 1 3 346.475 0.980 20 0 ECADHO COc1cccc([C@H](N)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000638118376 440450386 /nfs/dbraw/zinc/45/03/86/440450386.db2.gz YTGKYJLKVDLAQF-QAPCUYQASA-N 1 3 346.475 0.980 20 0 ECADHO COc1cccc([C@H](N)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638118376 440450393 /nfs/dbraw/zinc/45/03/93/440450393.db2.gz YTGKYJLKVDLAQF-QAPCUYQASA-N 1 3 346.475 0.980 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659717011 440452286 /nfs/dbraw/zinc/45/22/86/440452286.db2.gz DFQURZKAQXAEBT-AVGNSLFASA-N 1 3 340.468 0.205 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659717011 440452291 /nfs/dbraw/zinc/45/22/91/440452291.db2.gz DFQURZKAQXAEBT-AVGNSLFASA-N 1 3 340.468 0.205 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000655000601 440455908 /nfs/dbraw/zinc/45/59/08/440455908.db2.gz WASMICDDSFTMCP-GDBMZVCRSA-N 1 3 327.494 0.387 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638136748 440456830 /nfs/dbraw/zinc/45/68/30/440456830.db2.gz AQFKVHDZGDLRMZ-VYDXJSESSA-N 1 3 326.485 0.143 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659722008 440457902 /nfs/dbraw/zinc/45/79/02/440457902.db2.gz JLOMRMXUVFZJCG-CABCVRRESA-N 1 3 342.484 0.189 20 0 ECADHO CN1CCN(CCCNC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638137446 440458592 /nfs/dbraw/zinc/45/85/92/440458592.db2.gz VEDAYNWQPSZBFG-UHFFFAOYSA-N 1 3 330.476 0.629 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649318511 440459889 /nfs/dbraw/zinc/45/98/89/440459889.db2.gz RCAZZGGBLSPLJR-QWHCGFSZSA-N 1 3 346.422 0.290 20 0 ECADHO CCN1CCN(CCCCNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638137966 440460413 /nfs/dbraw/zinc/46/04/13/440460413.db2.gz RMTKIFNTFAVGNC-WBVHZDCISA-N 1 3 326.485 0.287 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659755799 440492795 /nfs/dbraw/zinc/49/27/95/440492795.db2.gz MMGMFKBVPLIAHW-UHFFFAOYSA-N 1 3 334.464 0.174 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)C[C@H]2N)cn1 ZINC000638367147 440520579 /nfs/dbraw/zinc/52/05/79/440520579.db2.gz TWACFFHFBNDKNG-ZWKOTPCHSA-N 1 3 339.443 0.562 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](n2cncn2)C1 ZINC000665761714 440526643 /nfs/dbraw/zinc/52/66/43/440526643.db2.gz NWVVEQMOSSVNDN-LSDHHAIUSA-N 1 3 337.472 0.507 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](n2cncn2)C1 ZINC000665761714 440526650 /nfs/dbraw/zinc/52/66/50/440526650.db2.gz NWVVEQMOSSVNDN-LSDHHAIUSA-N 1 3 337.472 0.507 20 0 ECADHO Cc1nc2n(n1)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2 ZINC000665759458 440527706 /nfs/dbraw/zinc/52/77/06/440527706.db2.gz HQBOIMOBJSJWET-ZDUSSCGKSA-N 1 3 337.472 0.384 20 0 ECADHO Cc1nc2n(n1)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2 ZINC000665759458 440527710 /nfs/dbraw/zinc/52/77/10/440527710.db2.gz HQBOIMOBJSJWET-ZDUSSCGKSA-N 1 3 337.472 0.384 20 0 ECADHO CCO[C@@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638392044 440527702 /nfs/dbraw/zinc/52/77/02/440527702.db2.gz WMASPDLCBHEPSK-IXDOHACOSA-N 1 3 334.464 0.268 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000665764057 440530465 /nfs/dbraw/zinc/53/04/65/440530465.db2.gz SSLZBYOKSBRGEP-STQMWFEESA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000665764057 440530468 /nfs/dbraw/zinc/53/04/68/440530468.db2.gz SSLZBYOKSBRGEP-STQMWFEESA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000665763946 440531354 /nfs/dbraw/zinc/53/13/54/440531354.db2.gz PQXAMXYSSYOSGM-XHSDSOJGSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000665763946 440531356 /nfs/dbraw/zinc/53/13/56/440531356.db2.gz PQXAMXYSSYOSGM-XHSDSOJGSA-N 1 3 326.485 0.936 20 0 ECADHO Cc1noc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000665763956 440531587 /nfs/dbraw/zinc/53/15/87/440531587.db2.gz PZOSVNHSVCMCDU-LBPRGKRZSA-N 1 3 326.445 0.791 20 0 ECADHO Cc1noc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000665763956 440531591 /nfs/dbraw/zinc/53/15/91/440531591.db2.gz PZOSVNHSVCMCDU-LBPRGKRZSA-N 1 3 326.445 0.791 20 0 ECADHO CN1CC(=O)N(CCN2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000659974704 440557160 /nfs/dbraw/zinc/55/71/60/440557160.db2.gz PFDKACHWVBRYIS-UHFFFAOYSA-N 1 3 338.452 0.457 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCc4[nH]cnc4C3)C2)CC1 ZINC000633865436 440557875 /nfs/dbraw/zinc/55/78/75/440557875.db2.gz NDNQHULIFAKANL-KBPBESRZSA-N 1 3 346.479 0.735 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCc4[nH]cnc4C3)C2)CC1 ZINC000633865436 440557880 /nfs/dbraw/zinc/55/78/80/440557880.db2.gz NDNQHULIFAKANL-KBPBESRZSA-N 1 3 346.479 0.735 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(CCN2C(=O)CN(C)C2=O)C1 ZINC000659978606 440558469 /nfs/dbraw/zinc/55/84/69/440558469.db2.gz GACUJFHUJNHIJM-CQSZACIVSA-N 1 3 326.441 0.313 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@]2(C[NH3+])CCCOC2)cc1 ZINC000638527748 440562900 /nfs/dbraw/zinc/56/29/00/440562900.db2.gz XQOCWXUEXPSJDD-SFHVURJKSA-N 1 3 348.447 0.672 20 0 ECADHO [NH3+]C1(CNC(=O)CC2(N3CCOCC3)CCCC2)CCOCC1 ZINC000638539614 440565105 /nfs/dbraw/zinc/56/51/05/440565105.db2.gz COOQDKRVXAEMJE-UHFFFAOYSA-N 1 3 325.453 0.646 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NCC34CC(C3)C[NH2+]4)ccc2[nH]c1=O ZINC000638424268 440535140 /nfs/dbraw/zinc/53/51/40/440535140.db2.gz APRUVSGIUAITRS-UHFFFAOYSA-N 1 3 343.431 0.785 20 0 ECADHO O=C([C@@H]1CNCCC1(F)F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784286 440623293 /nfs/dbraw/zinc/62/32/93/440623293.db2.gz SGXMMVZENNFFHF-KGLIPLIRSA-N 1 3 331.407 0.848 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2CCC2)C1 ZINC000666494320 440648248 /nfs/dbraw/zinc/64/82/48/440648248.db2.gz RUWSOEGLWXDTMV-INIZCTEOSA-N 1 3 338.496 0.587 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000650561277 440653905 /nfs/dbraw/zinc/65/39/05/440653905.db2.gz IJAHGILOOKLPNT-UHFFFAOYSA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H]1NC(=O)CC[C@H]1NCC1(C[NH2+][C@H]2CCC(=O)N[C@H]2C)CCC1 ZINC000660477054 440664414 /nfs/dbraw/zinc/66/44/14/440664414.db2.gz ILAFVZUICZCQOR-ZQDZILKHSA-N 1 3 336.480 0.670 20 0 ECADHO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1(CN[C@H]2CCC(=O)N[C@H]2C)CCC1 ZINC000660477054 440664419 /nfs/dbraw/zinc/66/44/19/440664419.db2.gz ILAFVZUICZCQOR-ZQDZILKHSA-N 1 3 336.480 0.670 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666727801 440681545 /nfs/dbraw/zinc/68/15/45/440681545.db2.gz AHXUYDNFVHMSRO-INIZCTEOSA-N 1 3 348.447 0.653 20 0 ECADHO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCN4C[C@H](O)C[C@H]4C3)cc2C1 ZINC000655909146 440641236 /nfs/dbraw/zinc/64/12/36/440641236.db2.gz ATJGUIXDZGVEOR-AEGPPILISA-N 1 3 331.420 0.180 20 0 ECADHO NC[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)C(F)(F)F ZINC000655918200 440642675 /nfs/dbraw/zinc/64/26/75/440642675.db2.gz GZGDTDUOTNNUGU-WDEREUQCSA-N 1 3 326.363 0.412 20 0 ECADHO NC[C@@H](NC(=O)NCCCC[N@H+]1CCC[C@H]1CO)C(F)(F)F ZINC000655918200 440642682 /nfs/dbraw/zinc/64/26/82/440642682.db2.gz GZGDTDUOTNNUGU-WDEREUQCSA-N 1 3 326.363 0.412 20 0 ECADHO CN1CCN(C(=O)CCNC[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644563572 440645815 /nfs/dbraw/zinc/64/58/15/440645815.db2.gz YFQBZUFOVDZZKP-SFHVURJKSA-N 1 3 348.491 0.233 20 0 ECADHO CN1CCN(C(=O)CCNC[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644563572 440645818 /nfs/dbraw/zinc/64/58/18/440645818.db2.gz YFQBZUFOVDZZKP-SFHVURJKSA-N 1 3 348.491 0.233 20 0 ECADHO CC1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000656025080 440695285 /nfs/dbraw/zinc/69/52/85/440695285.db2.gz XKXCEAQWQKDGPU-GJZGRUSLSA-N 1 3 336.480 0.625 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028006 440697470 /nfs/dbraw/zinc/69/74/70/440697470.db2.gz GXWRMGRBIJXCRX-HRCADAONSA-N 1 3 336.480 0.707 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656027171 440697677 /nfs/dbraw/zinc/69/76/77/440697677.db2.gz BSKHOECXCTUJRJ-HRCADAONSA-N 1 3 336.480 0.578 20 0 ECADHO CO[C@H](CNCC(=O)NCC[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000639204945 440693731 /nfs/dbraw/zinc/69/37/31/440693731.db2.gz GHTDNGIVUZACSL-HZPDHXFCSA-N 1 3 327.469 0.620 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000660655219 440703179 /nfs/dbraw/zinc/70/31/79/440703179.db2.gz CZQAFWUUDUQHHZ-UHFFFAOYSA-N 1 3 347.463 0.530 20 0 ECADHO CCC[NH+]1CCC(NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000650926607 440709568 /nfs/dbraw/zinc/70/95/68/440709568.db2.gz OXDIHMHHKHGBCM-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656082722 440714790 /nfs/dbraw/zinc/71/47/90/440714790.db2.gz UPVNAYRUTRPRJJ-WCVJEAGWSA-N 1 3 336.480 0.528 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000629536857 440723492 /nfs/dbraw/zinc/72/34/92/440723492.db2.gz JPPKRFMQIQRVNC-KGLIPLIRSA-N 1 3 338.452 0.535 20 0 ECADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCNC(=O)CC2)cc1 ZINC000634963656 440728978 /nfs/dbraw/zinc/72/89/78/440728978.db2.gz ZRHRSTOZJTVGDQ-MRXNPFEDSA-N 1 3 332.448 0.736 20 0 ECADHO CNS(=O)(=O)CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635004103 440730884 /nfs/dbraw/zinc/73/08/84/440730884.db2.gz CKUKFAWFPPRBHI-GOEBONIOSA-N 1 3 339.461 0.771 20 0 ECADHO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629566475 440730903 /nfs/dbraw/zinc/73/09/03/440730903.db2.gz SVCODNIYMTXEQH-ZWKOTPCHSA-N 1 3 347.507 0.638 20 0 ECADHO CCC[NH+]1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1 ZINC000645115865 440751789 /nfs/dbraw/zinc/75/17/89/440751789.db2.gz XVBQLSPXQTTXOI-CQSZACIVSA-N 1 3 339.484 0.622 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000645442640 440809429 /nfs/dbraw/zinc/80/94/29/440809429.db2.gz SBQRADIWDUOZDK-AVOUXACISA-N 1 3 337.468 0.373 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000645442640 440809437 /nfs/dbraw/zinc/80/94/37/440809437.db2.gz SBQRADIWDUOZDK-AVOUXACISA-N 1 3 337.468 0.373 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645235928 440768544 /nfs/dbraw/zinc/76/85/44/440768544.db2.gz ZETHSHQYXPDJIW-UKRRQHHQSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645235928 440768549 /nfs/dbraw/zinc/76/85/49/440768549.db2.gz ZETHSHQYXPDJIW-UKRRQHHQSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000645263636 440772407 /nfs/dbraw/zinc/77/24/07/440772407.db2.gz RXOGWOCEXCNSFP-KBPBESRZSA-N 1 3 325.457 0.090 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000645263636 440772411 /nfs/dbraw/zinc/77/24/11/440772411.db2.gz RXOGWOCEXCNSFP-KBPBESRZSA-N 1 3 325.457 0.090 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000645456085 440811220 /nfs/dbraw/zinc/81/12/20/440811220.db2.gz IOUHUQWQJRHIME-HUUCEWRRSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000645456085 440811224 /nfs/dbraw/zinc/81/12/24/440811224.db2.gz IOUHUQWQJRHIME-HUUCEWRRSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[C@@](C)(O)C2CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000630044949 440847296 /nfs/dbraw/zinc/84/72/96/440847296.db2.gz PEPOFEBLXGXZGD-OQIJWPOYSA-N 1 3 339.524 0.856 20 0 ECADHO NCC(=O)N1CCC[C@H](CNc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000656793922 440849316 /nfs/dbraw/zinc/84/93/16/440849316.db2.gz WNVXQIZJOHEEHS-RHSMWYFYSA-N 1 3 332.448 0.957 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000635349445 440827991 /nfs/dbraw/zinc/82/79/91/440827991.db2.gz WDBQDTYGBNDDIO-JKSUJKDBSA-N 1 3 327.469 0.714 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000635349445 440827995 /nfs/dbraw/zinc/82/79/95/440827995.db2.gz WDBQDTYGBNDDIO-JKSUJKDBSA-N 1 3 327.469 0.714 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661516472 440870703 /nfs/dbraw/zinc/87/07/03/440870703.db2.gz ZRMXOSSEIWEKDZ-UONOGXRCSA-N 1 3 339.484 0.621 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661516472 440870709 /nfs/dbraw/zinc/87/07/09/440870709.db2.gz ZRMXOSSEIWEKDZ-UONOGXRCSA-N 1 3 339.484 0.621 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C2)C1 ZINC000661988524 440949907 /nfs/dbraw/zinc/94/99/07/440949907.db2.gz YBFJHGDMMXEFLW-WMZOPIPTSA-N 1 3 336.480 0.977 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C2)C1 ZINC000661988524 440949912 /nfs/dbraw/zinc/94/99/12/440949912.db2.gz YBFJHGDMMXEFLW-WMZOPIPTSA-N 1 3 336.480 0.977 20 0 ECADHO CN1CCC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000630937447 440985329 /nfs/dbraw/zinc/98/53/29/440985329.db2.gz HOSYWPOMWNMOJA-SYMSYNOKSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000630937447 440985334 /nfs/dbraw/zinc/98/53/34/440985334.db2.gz HOSYWPOMWNMOJA-SYMSYNOKSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000630937447 440985337 /nfs/dbraw/zinc/98/53/37/440985337.db2.gz HOSYWPOMWNMOJA-SYMSYNOKSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000630937447 440985341 /nfs/dbraw/zinc/98/53/41/440985341.db2.gz HOSYWPOMWNMOJA-SYMSYNOKSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)C1CN(c2nc3c(ncnc3N3CC([NH+](C)C)C3)s2)C1 ZINC000657208443 440986811 /nfs/dbraw/zinc/98/68/11/440986811.db2.gz PCPBXFTUPSAGDD-UHFFFAOYSA-N 1 3 333.465 0.587 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646105989 440993731 /nfs/dbraw/zinc/99/37/31/440993731.db2.gz OFSQLXANJFAQGW-IAGOWNOFSA-N 1 3 344.459 0.588 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2cn(CCCC[NH3+])nn2)CCSC1 ZINC000646151295 441008503 /nfs/dbraw/zinc/00/85/03/441008503.db2.gz DXYJTJFPZBYCCC-AWEZNQCLSA-N 1 3 326.470 0.184 20 0 ECADHO COCCOCCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338374 441014852 /nfs/dbraw/zinc/01/48/52/441014852.db2.gz RDFVFKXJWHHMAT-HNNXBMFYSA-N 1 3 337.468 0.662 20 0 ECADHO [NH3+]CCn1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)nn1 ZINC000662375229 441022145 /nfs/dbraw/zinc/02/21/45/441022145.db2.gz WFYKNLQOOLIDOL-HNNXBMFYSA-N 1 3 328.420 0.804 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662437423 441042470 /nfs/dbraw/zinc/04/24/70/441042470.db2.gz PLCNAKOXCGUUBW-QGZVFWFLSA-N 1 3 344.459 0.962 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2cnnn2C2CC[NH2+]CC2)CCSC1 ZINC000662488923 441055174 /nfs/dbraw/zinc/05/51/74/441055174.db2.gz AOUVVWMJYXJDPK-OAHLLOKOSA-N 1 3 338.481 0.370 20 0 ECADHO CN(C)S(=O)(=O)CCCN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348674 441057245 /nfs/dbraw/zinc/05/72/45/441057245.db2.gz MVHHPQOJTMHMRA-RRFJBIMHSA-N 1 3 333.498 0.486 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662492861 441057472 /nfs/dbraw/zinc/05/74/72/441057472.db2.gz AZCSGARCVCCYKC-GJZGRUSLSA-N 1 3 348.495 0.490 20 0 ECADHO CCN1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182408292 320530296 /nfs/dbraw/zinc/53/02/96/320530296.db2.gz VPZUTYUNUXEWAM-HZPDHXFCSA-N 1 3 331.526 0.959 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000187935334 320538011 /nfs/dbraw/zinc/53/80/11/320538011.db2.gz FUCGLJGUDAGNDU-TXCZRRACSA-N 1 3 339.480 0.711 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000340201929 321020253 /nfs/dbraw/zinc/02/02/53/321020253.db2.gz ADISIPZCEIXJPY-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)CN1C1CC1 ZINC000340203391 321021174 /nfs/dbraw/zinc/02/11/74/321021174.db2.gz MTOFSBVYXNEWFM-GJZGRUSLSA-N 1 3 336.480 0.576 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000340218642 321023777 /nfs/dbraw/zinc/02/37/77/321023777.db2.gz PABAPQTWCMSCCE-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CN1C1CC1 ZINC000340219366 321024271 /nfs/dbraw/zinc/02/42/71/321024271.db2.gz RWDRKFFLFCZBIQ-QLFBSQMISA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CN1C1CC1 ZINC000340219366 321024273 /nfs/dbraw/zinc/02/42/73/321024273.db2.gz RWDRKFFLFCZBIQ-QLFBSQMISA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000342034678 321072967 /nfs/dbraw/zinc/07/29/67/321072967.db2.gz JUGDQKLYEXFDAR-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000342034678 321072968 /nfs/dbraw/zinc/07/29/68/321072968.db2.gz JUGDQKLYEXFDAR-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000343157455 321125607 /nfs/dbraw/zinc/12/56/07/321125607.db2.gz ZPPJUVFQSJVGSK-QKPAOTATSA-N 1 3 340.512 0.925 20 0 ECADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000343254377 321130475 /nfs/dbraw/zinc/13/04/75/321130475.db2.gz XGRNTAKOCMFCEA-VQHPVUNQSA-N 1 3 338.496 0.321 20 0 ECADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000343634061 321140180 /nfs/dbraw/zinc/14/01/80/321140180.db2.gz FTPRKGRSJSQKBJ-GOEBONIOSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000343634061 321140181 /nfs/dbraw/zinc/14/01/81/321140181.db2.gz FTPRKGRSJSQKBJ-GOEBONIOSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000344646576 321158508 /nfs/dbraw/zinc/15/85/08/321158508.db2.gz QNMFIKFEIKHHQD-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000344646576 321158510 /nfs/dbraw/zinc/15/85/10/321158510.db2.gz QNMFIKFEIKHHQD-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@@H](C)C1 ZINC000345197948 321178955 /nfs/dbraw/zinc/17/89/55/321178955.db2.gz FTQUSYPYEDYGPA-ZWKOTPCHSA-N 1 3 326.529 0.696 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCN1C ZINC000347964113 321260271 /nfs/dbraw/zinc/26/02/71/321260271.db2.gz FMTWEADTVSGXKL-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(N[C@@H]1CCN(C2CC2)C1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532618208 322057565 /nfs/dbraw/zinc/05/75/65/322057565.db2.gz QXHKNFRITXOANG-OIISXLGYSA-N 1 3 336.480 0.900 20 0 ECADHO COCCn1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)n1 ZINC000541166996 322089820 /nfs/dbraw/zinc/08/98/20/322089820.db2.gz WFXXKKNMFDLZDX-UHFFFAOYSA-N 1 3 325.457 0.403 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545177173 322106081 /nfs/dbraw/zinc/10/60/81/322106081.db2.gz NTKRLCMUHWXVNY-RDJZCZTQSA-N 1 3 326.485 0.863 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545177173 322106082 /nfs/dbraw/zinc/10/60/82/322106082.db2.gz NTKRLCMUHWXVNY-RDJZCZTQSA-N 1 3 326.485 0.863 20 0 ECADHO COC1CC[NH+](C(C)(C)CNC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000545177052 322106196 /nfs/dbraw/zinc/10/61/96/322106196.db2.gz ZRAYTJUJFPEVMJ-QGZVFWFLSA-N 1 3 342.484 0.242 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000546037360 322114744 /nfs/dbraw/zinc/11/47/44/322114744.db2.gz QNAXNCSLTJVSIY-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000546037360 322114746 /nfs/dbraw/zinc/11/47/46/322114746.db2.gz QNAXNCSLTJVSIY-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000550131839 322165184 /nfs/dbraw/zinc/16/51/84/322165184.db2.gz BQXBHVUHLSPCOF-INIZCTEOSA-N 1 3 336.480 0.675 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000561229885 322256992 /nfs/dbraw/zinc/25/69/92/322256992.db2.gz HBWICYMOHHSBTM-IRXDYDNUSA-N 1 3 346.475 0.473 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(C(N)=O)cc1 ZINC000562639049 322279437 /nfs/dbraw/zinc/27/94/37/322279437.db2.gz WZKVFZMYYFEJDH-UHFFFAOYSA-N 1 3 334.464 0.670 20 0 ECADHO O=C1CNC(=O)N1CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000562741046 322283192 /nfs/dbraw/zinc/28/31/92/322283192.db2.gz CLZMREHMQNBAKW-IRXDYDNUSA-N 1 3 342.443 0.992 20 0 ECADHO O=C1CNC(=O)N1CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000562741046 322283193 /nfs/dbraw/zinc/28/31/93/322283193.db2.gz CLZMREHMQNBAKW-IRXDYDNUSA-N 1 3 342.443 0.992 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)Cc1ccccc1 ZINC000562828332 322286684 /nfs/dbraw/zinc/28/66/84/322286684.db2.gz JKTYYNDKVUOQNM-INIZCTEOSA-N 1 3 332.448 0.144 20 0 ECADHO CCCCN1CCCC[C@H]1C[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000562987113 322291399 /nfs/dbraw/zinc/29/13/99/322291399.db2.gz MIZYDAWXVMPGSL-ZWKOTPCHSA-N 1 3 326.529 0.839 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000562987113 322291401 /nfs/dbraw/zinc/29/14/01/322291401.db2.gz MIZYDAWXVMPGSL-ZWKOTPCHSA-N 1 3 326.529 0.839 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000562987113 322291403 /nfs/dbraw/zinc/29/14/03/322291403.db2.gz MIZYDAWXVMPGSL-ZWKOTPCHSA-N 1 3 326.529 0.839 20 0 ECADHO CN1CCN(CCCCNC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000563883280 322350107 /nfs/dbraw/zinc/35/01/07/322350107.db2.gz YXUCSRLQPOKQLN-UHFFFAOYSA-N 1 3 333.480 0.972 20 0 ECADHO CC1CC[NH+](CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000564100948 322362566 /nfs/dbraw/zinc/36/25/66/322362566.db2.gz PCYOZKKABSCUSQ-CABCVRRESA-N 1 3 337.468 0.062 20 0 ECADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000565002534 322420261 /nfs/dbraw/zinc/42/02/61/322420261.db2.gz GNJPPYMCCVTQIT-INIZCTEOSA-N 1 3 328.420 0.715 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000575073824 322790453 /nfs/dbraw/zinc/79/04/53/322790453.db2.gz XZLHBMHDSZONBE-IRXDYDNUSA-N 1 3 337.512 0.796 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000579580866 322900603 /nfs/dbraw/zinc/90/06/03/322900603.db2.gz UEUPAZOBPYXJEZ-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000358508710 517635709 /nfs/dbraw/zinc/63/57/09/517635709.db2.gz VJXHBRHDBXTMHZ-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO OC[C@H]1CSCCN1CCCCC[N@@H+]1CCSC[C@@H]1CO ZINC000343710338 546098820 /nfs/dbraw/zinc/09/88/20/546098820.db2.gz DTSKKJWFEVJUEM-GJZGRUSLSA-N 1 3 334.551 0.976 20 0 ECADHO OC[C@H]1CSCCN1CCCCC[N@H+]1CCSC[C@@H]1CO ZINC000343710338 546098823 /nfs/dbraw/zinc/09/88/23/546098823.db2.gz DTSKKJWFEVJUEM-GJZGRUSLSA-N 1 3 334.551 0.976 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000431025192 546223105 /nfs/dbraw/zinc/22/31/05/546223105.db2.gz RLDWAZKYPZBGSY-DLBZAZTESA-N 1 3 331.464 0.837 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621645405 546534364 /nfs/dbraw/zinc/53/43/64/546534364.db2.gz GMUSLAOABCTIQL-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028484 546610612 /nfs/dbraw/zinc/61/06/12/546610612.db2.gz RAJSJQFWQMVJOQ-KDOFPFPSSA-N 1 3 334.464 0.413 20 0 ECADHO C[C@@H](CN1CCOCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634642491 547381325 /nfs/dbraw/zinc/38/13/25/547381325.db2.gz LBWZTSUCSOODAF-PKOBYXMFSA-N 1 3 333.476 0.934 20 0 ECADHO C[C@@H](CN1CCOCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642491 547381330 /nfs/dbraw/zinc/38/13/30/547381330.db2.gz LBWZTSUCSOODAF-PKOBYXMFSA-N 1 3 333.476 0.934 20 0 ECADHO CN1CCC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000644900695 547412654 /nfs/dbraw/zinc/41/26/54/547412654.db2.gz ZAYPPLSVMRRTGI-HNNXBMFYSA-N 1 3 339.484 0.372 20 0 ECADHO CC[N@H+](CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C1CC1 ZINC000645208891 547413266 /nfs/dbraw/zinc/41/32/66/547413266.db2.gz ONJHYRWZAJHEQY-ZDUSSCGKSA-N 1 3 325.457 0.232 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C1CC1 ZINC000645208891 547413272 /nfs/dbraw/zinc/41/32/72/547413272.db2.gz ONJHYRWZAJHEQY-ZDUSSCGKSA-N 1 3 325.457 0.232 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000656298342 547440154 /nfs/dbraw/zinc/44/01/54/547440154.db2.gz DMCYQQDUMJGFLG-CALCHBBNSA-N 1 3 346.475 0.821 20 0 ECADHO CCN(CCO)CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667336622 547503872 /nfs/dbraw/zinc/50/38/72/547503872.db2.gz KLARXMJUHLLHNF-UHFFFAOYSA-N 1 3 326.485 0.722 20 0 ECADHO CCN(C(=O)C(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CCN(CC)C1 ZINC000668359354 547634114 /nfs/dbraw/zinc/63/41/14/547634114.db2.gz VVKNYLFQOXRSQP-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCN(CC)C1 ZINC000668752731 547742276 /nfs/dbraw/zinc/74/22/76/547742276.db2.gz STYSNXIQKBJJLV-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668776266 547746467 /nfs/dbraw/zinc/74/64/67/547746467.db2.gz CVWLEETWMPMFHL-KGLIPLIRSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668776266 547746471 /nfs/dbraw/zinc/74/64/71/547746471.db2.gz CVWLEETWMPMFHL-KGLIPLIRSA-N 1 3 326.485 0.822 20 0 ECADHO OCCN1CCN(CCCC[NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000669699865 547924751 /nfs/dbraw/zinc/92/47/51/547924751.db2.gz NFSXCTQQVNAGTF-KRWDZBQOSA-N 1 3 325.497 0.925 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000670783625 548049374 /nfs/dbraw/zinc/04/93/74/548049374.db2.gz ZUWVKCRJESOKBC-KRWDZBQOSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671180783 548106011 /nfs/dbraw/zinc/10/60/11/548106011.db2.gz WHFJRZCJOWQYNL-OAGGEKHMSA-N 1 3 334.464 0.330 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671180783 548106014 /nfs/dbraw/zinc/10/60/14/548106014.db2.gz WHFJRZCJOWQYNL-OAGGEKHMSA-N 1 3 334.464 0.330 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671181178 548106821 /nfs/dbraw/zinc/10/68/21/548106821.db2.gz UTLBRJYULLDCOY-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671181178 548106825 /nfs/dbraw/zinc/10/68/25/548106825.db2.gz UTLBRJYULLDCOY-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO C[N@@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H]2CCC[C@@H]21 ZINC000671746702 548226170 /nfs/dbraw/zinc/22/61/70/548226170.db2.gz YZSOXFFPVNLNQR-JYJNAYRXSA-N 1 3 344.525 0.026 20 0 ECADHO C[N@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H]2CCC[C@@H]21 ZINC000671746702 548226175 /nfs/dbraw/zinc/22/61/75/548226175.db2.gz YZSOXFFPVNLNQR-JYJNAYRXSA-N 1 3 344.525 0.026 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000672008536 548253048 /nfs/dbraw/zinc/25/30/48/548253048.db2.gz KCGQYOGVGHTKDR-CZUORRHYSA-N 1 3 336.480 0.433 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672012013 548254662 /nfs/dbraw/zinc/25/46/62/548254662.db2.gz YZRIIOAQAWLZRM-GDBMZVCRSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCC1 ZINC000672982843 548423017 /nfs/dbraw/zinc/42/30/17/548423017.db2.gz BCYLVZLRSNVMCQ-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCC1 ZINC000672982843 548423020 /nfs/dbraw/zinc/42/30/20/548423020.db2.gz BCYLVZLRSNVMCQ-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C1 ZINC000676046987 548783838 /nfs/dbraw/zinc/78/38/38/548783838.db2.gz YBCBVRGYJMEEKL-KBPBESRZSA-N 1 3 346.493 0.958 20 0 ECADHO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000677860039 548962129 /nfs/dbraw/zinc/96/21/29/548962129.db2.gz LSJSDABQCRJDCO-IAGOWNOFSA-N 1 3 336.480 0.090 20 0 ECADHO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000677860039 548962133 /nfs/dbraw/zinc/96/21/33/548962133.db2.gz LSJSDABQCRJDCO-IAGOWNOFSA-N 1 3 336.480 0.090 20 0 ECADHO CN(CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CCSC1 ZINC000677889377 548967212 /nfs/dbraw/zinc/96/72/12/548967212.db2.gz ZAMFIGSIBANICQ-GOEBONIOSA-N 1 3 340.537 0.708 20 0 ECADHO CN(CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCSC1 ZINC000677889377 548967217 /nfs/dbraw/zinc/96/72/17/548967217.db2.gz ZAMFIGSIBANICQ-GOEBONIOSA-N 1 3 340.537 0.708 20 0 ECADHO CN(CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000677889377 548967220 /nfs/dbraw/zinc/96/72/20/548967220.db2.gz ZAMFIGSIBANICQ-GOEBONIOSA-N 1 3 340.537 0.708 20 0 ECADHO CN(CC(=O)NCCCN1CCC[N@H+](C)CC1)[C@H]1CCSC1 ZINC000678046862 548991990 /nfs/dbraw/zinc/99/19/90/548991990.db2.gz YQBCNGLMCQINRZ-HNNXBMFYSA-N 1 3 328.526 0.568 20 0 ECADHO CN(CC(=O)NCCCN1CCC[N@@H+](C)CC1)[C@H]1CCSC1 ZINC000678046862 548991995 /nfs/dbraw/zinc/99/19/95/548991995.db2.gz YQBCNGLMCQINRZ-HNNXBMFYSA-N 1 3 328.526 0.568 20 0 ECADHO CN(CC(=O)NCCC[N@@H+]1CCCN(C)CC1)[C@H]1CCSC1 ZINC000678046862 548992001 /nfs/dbraw/zinc/99/20/01/548992001.db2.gz YQBCNGLMCQINRZ-HNNXBMFYSA-N 1 3 328.526 0.568 20 0 ECADHO CN(CC(=O)NCCC[N@H+]1CCCN(C)CC1)[C@H]1CCSC1 ZINC000678046862 548992007 /nfs/dbraw/zinc/99/20/07/548992007.db2.gz YQBCNGLMCQINRZ-HNNXBMFYSA-N 1 3 328.526 0.568 20 0 ECADHO CC(C)[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CCN1C ZINC000683081154 549458992 /nfs/dbraw/zinc/45/89/92/549458992.db2.gz BRWIKJNDSNGWHQ-KRWDZBQOSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000685309772 549677350 /nfs/dbraw/zinc/67/73/50/549677350.db2.gz JOTCCXWJRWVZQE-VDERGJSUSA-N 1 3 336.480 0.526 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000685309772 549677354 /nfs/dbraw/zinc/67/73/54/549677354.db2.gz JOTCCXWJRWVZQE-VDERGJSUSA-N 1 3 336.480 0.526 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=S)NCCN(C)C)CC1 ZINC000748598602 579326991 /nfs/dbraw/zinc/32/69/91/579326991.db2.gz OVMYKTMKRUABDT-IYBDPMFKSA-N 1 3 341.569 0.913 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=S)NCCN(C)C)CC1 ZINC000748598602 579326992 /nfs/dbraw/zinc/32/69/92/579326992.db2.gz OVMYKTMKRUABDT-IYBDPMFKSA-N 1 3 341.569 0.913 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000752668236 579389032 /nfs/dbraw/zinc/38/90/32/579389032.db2.gz CZIWIAYCAHPCQP-NVXWUHKLSA-N 1 3 342.484 0.242 20 0 ECADHO CN(C)CCNC(=S)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000730468412 578306219 /nfs/dbraw/zinc/30/62/19/578306219.db2.gz XJSYRQHHBVPXOH-HNNXBMFYSA-N 1 3 327.542 0.524 20 0 ECADHO CN(C)CCNC(=S)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000730468412 578306221 /nfs/dbraw/zinc/30/62/21/578306221.db2.gz XJSYRQHHBVPXOH-HNNXBMFYSA-N 1 3 327.542 0.524 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCN1CCN(C)C(C)(C)C1 ZINC000799510287 578666760 /nfs/dbraw/zinc/66/67/60/578666760.db2.gz ZNMKGCNILUMRQK-HNNXBMFYSA-N 1 3 341.569 0.961 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCCN1CCN(C)C(C)(C)C1 ZINC000799510287 578666761 /nfs/dbraw/zinc/66/67/61/578666761.db2.gz ZNMKGCNILUMRQK-HNNXBMFYSA-N 1 3 341.569 0.961 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000793718244 578937340 /nfs/dbraw/zinc/93/73/40/578937340.db2.gz NKJYUWLVHXWHFK-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCN([C@H](C)CNC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760477151 579511061 /nfs/dbraw/zinc/51/10/61/579511061.db2.gz VBUFFKFLJFNALO-OAHLLOKOSA-N 1 3 341.569 0.818 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000841749358 588999973 /nfs/dbraw/zinc/99/99/73/588999973.db2.gz DIWYCBYCRFGZBB-QGZVFWFLSA-N 1 3 334.464 0.861 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N1CCCCC1 ZINC000842016758 589008590 /nfs/dbraw/zinc/00/85/90/589008590.db2.gz XTJRQXPDDQZPEA-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842194080 589019767 /nfs/dbraw/zinc/01/97/67/589019767.db2.gz QZQQJSHLSYGPIB-KRWDZBQOSA-N 1 3 346.475 0.795 20 0 ECADHO COCCN(C)CCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891493585 586171561 /nfs/dbraw/zinc/17/15/61/586171561.db2.gz VKURBUMIXQFABU-WDEREUQCSA-N 1 3 326.363 0.343 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000891536177 586174221 /nfs/dbraw/zinc/17/42/21/586174221.db2.gz OZRLDIMGESEUDT-OLZOCXBDSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000891536176 586174601 /nfs/dbraw/zinc/17/46/01/586174601.db2.gz OZRLDIMGESEUDT-CHWSQXEVSA-N 1 3 325.457 0.060 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)CC1 ZINC000892188117 586228535 /nfs/dbraw/zinc/22/85/35/586228535.db2.gz OVZDREBDNOVABH-YESZJQIVSA-N 1 3 349.523 0.796 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000892530698 586271798 /nfs/dbraw/zinc/27/17/98/586271798.db2.gz VFNLYROWORGNIU-IRXDYDNUSA-N 1 3 332.448 0.938 20 0 ECADHO C[NH+]1CCC(CNCC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC000896886132 586275800 /nfs/dbraw/zinc/27/58/00/586275800.db2.gz RNZUHQHGBFIGII-UHFFFAOYSA-N 1 3 332.448 0.350 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000892602216 586276227 /nfs/dbraw/zinc/27/62/27/586276227.db2.gz XNKYHIUWFADVQG-MHORFTMASA-N 1 3 349.523 0.938 20 0 ECADHO O=C(NCCNc1ccncc1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892780971 586290161 /nfs/dbraw/zinc/29/01/61/586290161.db2.gz XHQOLHYDOWOQAD-OAHLLOKOSA-N 1 3 333.436 0.373 20 0 ECADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@@H]1Cc2ccccc2CN1 ZINC000892793589 586290663 /nfs/dbraw/zinc/29/06/63/586290663.db2.gz NVNGGPFHOVRDFL-ROUUACIJSA-N 1 3 346.475 0.847 20 0 ECADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC[C@@H]1Cc2ccccc2CN1 ZINC000892793589 586290665 /nfs/dbraw/zinc/29/06/65/586290665.db2.gz NVNGGPFHOVRDFL-ROUUACIJSA-N 1 3 346.475 0.847 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000892789649 586291210 /nfs/dbraw/zinc/29/12/10/586291210.db2.gz RBYLLCJDGNDFOU-ZWKOTPCHSA-N 1 3 343.475 0.390 20 0 ECADHO CN1C[C@H]2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@H]2C1 ZINC000892835396 586294867 /nfs/dbraw/zinc/29/48/67/586294867.db2.gz ALUGCHFCNPZZLH-CVEARBPZSA-N 1 3 336.480 0.977 20 0 ECADHO CN1CCN(CC2CCN(C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC000892853608 586296480 /nfs/dbraw/zinc/29/64/80/586296480.db2.gz MRPJDXIURISLHL-UHFFFAOYSA-N 1 3 325.501 0.783 20 0 ECADHO CC(C)([NH3+])CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000892861524 586297098 /nfs/dbraw/zinc/29/70/98/586297098.db2.gz SPZZZZOZWYVMGM-UHFFFAOYSA-N 1 3 325.457 0.063 20 0 ECADHO CCC1([NH3+])CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000892924745 586300652 /nfs/dbraw/zinc/30/06/52/586300652.db2.gz COMRFCOHKNTDFA-OAHLLOKOSA-N 1 3 325.501 0.925 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCN2CC[C@H](C)C2)CC1 ZINC000897443040 586322931 /nfs/dbraw/zinc/32/29/31/586322931.db2.gz PIXGQIKBBYNREG-HNNXBMFYSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1CCN(CCNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000893864578 586364604 /nfs/dbraw/zinc/36/46/04/586364604.db2.gz CJWOIXAMOTZYHY-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO COC(=O)[C@@H]1[C@@H](C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C1(F)F ZINC000894242518 586382134 /nfs/dbraw/zinc/38/21/34/586382134.db2.gz NWEJOHMOXGBHHF-UTUOFQBUSA-N 1 3 333.379 0.218 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894521338 586397477 /nfs/dbraw/zinc/39/74/77/586397477.db2.gz NKOGOUUOMBRIHM-OAGGEKHMSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000899811292 586507745 /nfs/dbraw/zinc/50/77/45/586507745.db2.gz UUSHQNDWWZMGJA-DOTOQJQBSA-N 1 3 329.448 0.509 20 0 ECADHO C[NH+](C)CCn1nccc1N1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000900249516 586533565 /nfs/dbraw/zinc/53/35/65/586533565.db2.gz HKPSGSRLEVXLBA-CYBMUJFWSA-N 1 3 334.424 0.355 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900561972 586641811 /nfs/dbraw/zinc/64/18/11/586641811.db2.gz TYSHHJXBWLCWTG-IRXDYDNUSA-N 1 3 348.491 0.770 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900561972 586641813 /nfs/dbraw/zinc/64/18/13/586641813.db2.gz TYSHHJXBWLCWTG-IRXDYDNUSA-N 1 3 348.491 0.770 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000900599481 586646170 /nfs/dbraw/zinc/64/61/70/586646170.db2.gz FNLZSFGPCHOINU-UHFFFAOYSA-N 1 3 344.459 0.690 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000843265157 589058534 /nfs/dbraw/zinc/05/85/34/589058534.db2.gz QSQHZVFXQSFROK-CVEARBPZSA-N 1 3 348.491 0.861 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000901107222 586693579 /nfs/dbraw/zinc/69/35/79/586693579.db2.gz VPPSDMDAIVXBNX-BRWVUGGUSA-N 1 3 348.491 0.768 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000901107222 586693580 /nfs/dbraw/zinc/69/35/80/586693580.db2.gz VPPSDMDAIVXBNX-BRWVUGGUSA-N 1 3 348.491 0.768 20 0 ECADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCN(c2cnccn2)CC1 ZINC000843364712 589064195 /nfs/dbraw/zinc/06/41/95/589064195.db2.gz MMRMZMAOOHRRON-UHFFFAOYSA-N 1 3 344.463 0.201 20 0 ECADHO CC[C@H]1CCCCN1C(=O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903490902 586778850 /nfs/dbraw/zinc/77/88/50/586778850.db2.gz MFQHEMKCRQISBG-KRXQYRFLSA-N 1 3 337.464 0.990 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1[C@H](C)CCC[C@H]1C)C2 ZINC000903490855 586778917 /nfs/dbraw/zinc/77/89/17/586778917.db2.gz KGOYIPBKIVASPT-NSIVTLKISA-N 1 3 337.464 0.988 20 0 ECADHO O=S(=O)(CCC[NH+]1CCCC1)N1CCNCCC12CCOCC2 ZINC000903549957 586787440 /nfs/dbraw/zinc/78/74/40/586787440.db2.gz UTIWNTJTDMAWBF-UHFFFAOYSA-N 1 3 345.509 0.647 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903587334 586791141 /nfs/dbraw/zinc/79/11/41/586791141.db2.gz SHJUVDBTEBCSKV-ZDUSSCGKSA-N 1 3 343.497 0.419 20 0 ECADHO CN(C)[S@](C)(=O)=NCC1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903870799 586821133 /nfs/dbraw/zinc/82/11/33/586821133.db2.gz JQEHSYWHKKFUDO-NPMXOYFQSA-N 1 3 344.525 0.651 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1nc3c(s1)CNCC3)C2 ZINC000903977694 586828544 /nfs/dbraw/zinc/82/85/44/586828544.db2.gz WFHUUTANRNTJLG-USBNGQNGSA-N 1 3 336.461 0.501 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000904959278 586855192 /nfs/dbraw/zinc/85/51/92/586855192.db2.gz DDMQYNQAXSQARI-HNNXBMFYSA-N 1 3 338.496 0.763 20 0 ECADHO NC[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000905000867 586857544 /nfs/dbraw/zinc/85/75/44/586857544.db2.gz MKHSGHBUOUZHPJ-VQIMIIECSA-N 1 3 348.491 0.661 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000905005754 586858829 /nfs/dbraw/zinc/85/88/29/586858829.db2.gz FWTFURLCEUXJEY-RLFYNMQTSA-N 1 3 334.464 0.413 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32CN)C1 ZINC000905011570 586861264 /nfs/dbraw/zinc/86/12/64/586861264.db2.gz XWGDPPZUDZPRRK-HDMKZQKVSA-N 1 3 336.480 0.517 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32CN)C1 ZINC000905011570 586861266 /nfs/dbraw/zinc/86/12/66/586861266.db2.gz XWGDPPZUDZPRRK-HDMKZQKVSA-N 1 3 336.480 0.517 20 0 ECADHO COc1cc(OC)nc(C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000906580746 586957230 /nfs/dbraw/zinc/95/72/30/586957230.db2.gz QQIHVFSEEVUSDD-UHFFFAOYSA-N 1 3 325.413 0.059 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)C[C@]2(C)C1 ZINC000906708166 586969027 /nfs/dbraw/zinc/96/90/27/586969027.db2.gz XBXIQMWLWYQROI-KUHUBIRLSA-N 1 3 342.443 0.681 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)C[C@]2(C)C1 ZINC000906708166 586969029 /nfs/dbraw/zinc/96/90/29/586969029.db2.gz XBXIQMWLWYQROI-KUHUBIRLSA-N 1 3 342.443 0.681 20 0 ECADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000808194204 587148510 /nfs/dbraw/zinc/14/85/10/587148510.db2.gz ZJJNZOAPMUUWFO-HUUCEWRRSA-N 1 3 349.479 0.519 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@]4(CCC[NH2+]4)C3)C2)C1 ZINC000817993894 587395753 /nfs/dbraw/zinc/39/57/53/587395753.db2.gz SSJOHXWVFQZTMC-QZTJIDSGSA-N 1 3 334.464 0.285 20 0 ECADHO O=[S@]1C[C@@H]2C[C@H]1CN2CCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844433438 589111156 /nfs/dbraw/zinc/11/11/56/589111156.db2.gz MSWAFTMLJLMYLB-HFDFMPDHSA-N 1 3 344.546 0.957 20 0 ECADHO O=[S@]1C[C@@H]2C[C@H]1CN2CCCCCC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844433438 589111157 /nfs/dbraw/zinc/11/11/57/589111157.db2.gz MSWAFTMLJLMYLB-HFDFMPDHSA-N 1 3 344.546 0.957 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867419018 589199850 /nfs/dbraw/zinc/19/98/50/589199850.db2.gz ZBPUFAABJNCJRH-CVEARBPZSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000867419018 589199851 /nfs/dbraw/zinc/19/98/51/589199851.db2.gz ZBPUFAABJNCJRH-CVEARBPZSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC1CCS(=O)(=O)CC1 ZINC000849052861 589318873 /nfs/dbraw/zinc/31/88/73/589318873.db2.gz QEDXBTGZVSRSMB-CQSZACIVSA-N 1 3 330.498 0.800 20 0 ECADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-n2cncn2)nc1 ZINC000849060335 589319084 /nfs/dbraw/zinc/31/90/84/589319084.db2.gz UDZBMSNOZFWPLV-AWEZNQCLSA-N 1 3 328.424 0.761 20 0 ECADHO C[C@@H]1CN(C(=[NH2+])NCCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000849094074 589319884 /nfs/dbraw/zinc/31/98/84/589319884.db2.gz ANPWKHBHDSZLFL-ZIAGYGMSSA-N 1 3 325.457 0.174 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000851691163 589415396 /nfs/dbraw/zinc/41/53/96/589415396.db2.gz LVRNFCKAJQSIPP-QAPCUYQASA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCC1(C)C ZINC000867741209 589833718 /nfs/dbraw/zinc/83/37/18/589833718.db2.gz WIWPXFDSWNQQCS-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCC1(C)C ZINC000867741209 589833720 /nfs/dbraw/zinc/83/37/20/589833720.db2.gz WIWPXFDSWNQQCS-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868047864 589870947 /nfs/dbraw/zinc/87/09/47/589870947.db2.gz DHZCZVZZQCYHNT-IRXDYDNUSA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868047864 589870948 /nfs/dbraw/zinc/87/09/48/589870948.db2.gz DHZCZVZZQCYHNT-IRXDYDNUSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000861749536 589886708 /nfs/dbraw/zinc/88/67/08/589886708.db2.gz BVVBKFXVVAKTJF-ZDUSSCGKSA-N 1 3 336.436 0.049 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000861767673 589890076 /nfs/dbraw/zinc/89/00/76/589890076.db2.gz QEWRSEAQECXTIB-CYBMUJFWSA-N 1 3 333.436 0.220 20 0 ECADHO CNCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000868310469 589891849 /nfs/dbraw/zinc/89/18/49/589891849.db2.gz VOTFMXSBYBEJKB-GDBMZVCRSA-N 1 3 330.432 0.897 20 0 ECADHO CNCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000868310469 589891851 /nfs/dbraw/zinc/89/18/51/589891851.db2.gz VOTFMXSBYBEJKB-GDBMZVCRSA-N 1 3 330.432 0.897 20 0 ECADHO C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCCC[C@@H]3CN)CC2)CC1 ZINC000868385235 589899156 /nfs/dbraw/zinc/89/91/56/589899156.db2.gz NHJCDDXFGCJXRS-OAHLLOKOSA-N 1 3 336.480 0.661 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)CC[C@H]21 ZINC000868782624 589927041 /nfs/dbraw/zinc/92/70/41/589927041.db2.gz BABNOUFOPFOOID-HYVNUMGLSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)CC[C@H]21 ZINC000868782624 589927042 /nfs/dbraw/zinc/92/70/42/589927042.db2.gz BABNOUFOPFOOID-HYVNUMGLSA-N 1 3 336.480 0.975 20 0 ECADHO COC(=O)CC1(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000863548940 590022125 /nfs/dbraw/zinc/02/21/25/590022125.db2.gz ZWFJSKTUNKZVJS-KGLIPLIRSA-N 1 3 337.420 0.587 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000863754937 590034851 /nfs/dbraw/zinc/03/48/51/590034851.db2.gz JVDJZGZUVCZKGI-OAHLLOKOSA-N 1 3 346.475 0.915 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000870880214 590037077 /nfs/dbraw/zinc/03/70/77/590037077.db2.gz OXKVUYZMKOILLL-GJYPPUQNSA-N 1 3 344.459 0.722 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870878102 590037244 /nfs/dbraw/zinc/03/72/44/590037244.db2.gz BYDKGTRTJGLIKH-CSLYMUCUSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H](C(=O)NC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1)N(C)C ZINC000871462145 590071852 /nfs/dbraw/zinc/07/18/52/590071852.db2.gz OARXJXWVZAOHBK-ZNMIVQPWSA-N 1 3 342.484 0.010 20 0 ECADHO [NH3+]C[C@H]1CN(S(=O)(=O)CCCN2CCCC2)C[C@H]1C(F)(F)F ZINC000871813384 590089136 /nfs/dbraw/zinc/08/91/36/590089136.db2.gz RDMPJDVJUGUODZ-NWDGAFQWSA-N 1 3 343.415 0.871 20 0 ECADHO NCc1cn([C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CCOCC4)C2)nn1 ZINC000872144868 590097632 /nfs/dbraw/zinc/09/76/32/590097632.db2.gz KRVSUVOCVLPCAM-HZPDHXFCSA-N 1 3 335.452 0.959 20 0 ECADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CCOCC4)C2)nn1 ZINC000872144868 590097633 /nfs/dbraw/zinc/09/76/33/590097633.db2.gz KRVSUVOCVLPCAM-HZPDHXFCSA-N 1 3 335.452 0.959 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000872217794 590105435 /nfs/dbraw/zinc/10/54/35/590105435.db2.gz GCZOMDGMSPYZNG-ROUUACIJSA-N 1 3 335.492 0.914 20 0 ECADHO O=C1OC[C@@]2(C[NH2+]C3CCN(c4ccncc4)CC3)COCCN12 ZINC000872261320 590109295 /nfs/dbraw/zinc/10/92/95/590109295.db2.gz MLOWYEHSDNKJOR-QGZVFWFLSA-N 1 3 332.404 0.861 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000875061520 590266853 /nfs/dbraw/zinc/26/68/53/590266853.db2.gz LYIIJYULHCBYGG-OWCLPIDISA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000875061520 590266855 /nfs/dbraw/zinc/26/68/55/590266855.db2.gz LYIIJYULHCBYGG-OWCLPIDISA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CCN1C ZINC000875207476 590281891 /nfs/dbraw/zinc/28/18/91/590281891.db2.gz AUNBBDQKXHOITF-XYSPPFBYSA-N 1 3 338.496 0.964 20 0 ECADHO CN1CC[NH+](C2CCN(C[C@@H](O)CC3(O)CCCC3)CC2)CC1 ZINC000879594375 590326619 /nfs/dbraw/zinc/32/66/19/590326619.db2.gz GZJDWVJPAFEGKA-KRWDZBQOSA-N 1 3 325.497 0.754 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CCCN3C[C@@H]2CO)CC1 ZINC000880069431 590364880 /nfs/dbraw/zinc/36/48/80/590364880.db2.gz KDRAGQKJJDOSIU-DLBZAZTESA-N 1 3 338.496 0.116 20 0 ECADHO C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880258286 590379462 /nfs/dbraw/zinc/37/94/62/590379462.db2.gz FBIVKRFGHDHRLJ-DNVCBOLYSA-N 1 3 340.427 0.965 20 0 ECADHO Cn1ncc(C[NH3+])c1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000876728713 590404751 /nfs/dbraw/zinc/40/47/51/590404751.db2.gz SZHMIBCVAHFKJS-UHFFFAOYSA-N 1 3 337.493 0.970 20 0 ECADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000876743338 590407307 /nfs/dbraw/zinc/40/73/07/590407307.db2.gz CMVSIWVBDWQABH-OAGGEKHMSA-N 1 3 347.463 0.709 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876759176 590410094 /nfs/dbraw/zinc/41/00/94/590410094.db2.gz NXZDOORXRNBZMI-YVACAVLKSA-N 1 3 336.480 0.601 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)/C=C/[C@H]2CCC[NH2+]C2)cn1 ZINC000876770991 590412538 /nfs/dbraw/zinc/41/25/38/590412538.db2.gz LQIDTARSPUMGDD-VBROQKIQSA-N 1 3 348.451 0.055 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)CCC(=O)OC ZINC000877132593 590439841 /nfs/dbraw/zinc/43/98/41/590439841.db2.gz IEJXWKRGVPHTSO-AWEZNQCLSA-N 1 3 329.441 0.084 20 0 ECADHO CC[C@]1(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CCC[NH2+]1 ZINC000877206391 590444810 /nfs/dbraw/zinc/44/48/10/590444810.db2.gz HRIXEXZABVZDST-QGZVFWFLSA-N 1 3 328.420 0.874 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)CC[C@H]3CC[NH2+]C3)c2)nn1 ZINC000877207493 590445079 /nfs/dbraw/zinc/44/50/79/590445079.db2.gz YNWUCFMHIQTQDY-ZDUSSCGKSA-N 1 3 328.420 0.732 20 0 ECADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206852 590445351 /nfs/dbraw/zinc/44/53/51/590445351.db2.gz NFXOYUGYJRSHIL-HZPDHXFCSA-N 1 3 328.420 0.730 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)c2)nn1 ZINC000877207469 590445385 /nfs/dbraw/zinc/44/53/85/590445385.db2.gz XRTWEAYSWVNUOT-SJORKVTESA-N 1 3 340.431 0.873 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)c2)nn1 ZINC000877206728 590445389 /nfs/dbraw/zinc/44/53/89/590445389.db2.gz NXZRMYWRTBVOGG-WFASDCNBSA-N 1 3 332.383 0.290 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1Cc2ccccc2CN1 ZINC000877343093 590459760 /nfs/dbraw/zinc/45/97/60/590459760.db2.gz ILLRPCJBBXEJTK-CVEARBPZSA-N 1 3 330.432 0.075 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@@H+]1C ZINC000881624621 590461709 /nfs/dbraw/zinc/46/17/09/590461709.db2.gz WHCSUCYMTDCIHU-HUUCEWRRSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@H+]1C ZINC000881624621 590461712 /nfs/dbraw/zinc/46/17/12/590461712.db2.gz WHCSUCYMTDCIHU-HUUCEWRRSA-N 1 3 336.480 0.659 20 0 ECADHO C[NH+]1CCC(NC(=O)CN2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000878561793 590528476 /nfs/dbraw/zinc/52/84/76/590528476.db2.gz QVLKQIQRKHKQGY-MRXNPFEDSA-N 1 3 338.496 0.241 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000883627507 590633983 /nfs/dbraw/zinc/63/39/83/590633983.db2.gz FMRVYHZXOGKMPX-UHFFFAOYSA-N 1 3 336.440 0.113 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CCN1c1ccncc1 ZINC000883643360 590639241 /nfs/dbraw/zinc/63/92/41/590639241.db2.gz KECFTEOIKQYSDC-ZDUSSCGKSA-N 1 3 333.436 0.314 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884876432 590639624 /nfs/dbraw/zinc/63/96/24/590639624.db2.gz BFFYXTIUTAYJDZ-ILXRZTDVSA-N 1 3 338.496 0.679 20 0 ECADHO CN(C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C1(CN)CCCCC1 ZINC000883655198 590644267 /nfs/dbraw/zinc/64/42/67/590644267.db2.gz XUKQBXMJJVJIIK-HUUCEWRRSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C1(CN)CCCCC1 ZINC000883655198 590644272 /nfs/dbraw/zinc/64/42/72/590644272.db2.gz XUKQBXMJJVJIIK-HUUCEWRRSA-N 1 3 336.480 0.659 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@@H]21 ZINC000883660809 590647330 /nfs/dbraw/zinc/64/73/30/590647330.db2.gz VFKQNKJLWUGQBU-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@@H]21 ZINC000883660809 590647335 /nfs/dbraw/zinc/64/73/35/590647335.db2.gz VFKQNKJLWUGQBU-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966434 590656546 /nfs/dbraw/zinc/65/65/46/590656546.db2.gz KTNOTRALAFULID-RBSFLKMASA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCN1C ZINC000884969070 590657773 /nfs/dbraw/zinc/65/77/73/590657773.db2.gz YVVLSHXZLJNMAQ-ILXRZTDVSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885285223 590704552 /nfs/dbraw/zinc/70/45/52/590704552.db2.gz IOFKKOHOISNPPB-ZDUSSCGKSA-N 1 3 348.438 0.394 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884188646 590766831 /nfs/dbraw/zinc/76/68/31/590766831.db2.gz MTSSHSWFPNFUCX-HNNXBMFYSA-N 1 3 331.464 0.953 20 0 ECADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccnc(N2CCNCC2)c1 ZINC000884193018 590768857 /nfs/dbraw/zinc/76/88/57/590768857.db2.gz UJURNALQEPCXOT-JKSUJKDBSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnc(N2CCNCC2)c1 ZINC000884193018 590768860 /nfs/dbraw/zinc/76/88/60/590768860.db2.gz UJURNALQEPCXOT-JKSUJKDBSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccnc(N2CCNCC2)c1 ZINC000884192755 590768920 /nfs/dbraw/zinc/76/89/20/590768920.db2.gz NOIOPWLZFCIVHJ-CQSZACIVSA-N 1 3 329.448 0.705 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccnc(N2CCNCC2)c1 ZINC000884192755 590768925 /nfs/dbraw/zinc/76/89/25/590768925.db2.gz NOIOPWLZFCIVHJ-CQSZACIVSA-N 1 3 329.448 0.705 20 0 ECADHO CN1CCC(CNC(=O)c2ncoc2CN)([NH+]2CCCCC2)CC1 ZINC000884236358 590786463 /nfs/dbraw/zinc/78/64/63/590786463.db2.gz SFXYKMMOUJCOTD-UHFFFAOYSA-N 1 3 335.452 0.813 20 0 ECADHO C[NH+]1CCC(CNC(=O)c2ncoc2CN)(N2CCCCC2)CC1 ZINC000884236358 590786466 /nfs/dbraw/zinc/78/64/66/590786466.db2.gz SFXYKMMOUJCOTD-UHFFFAOYSA-N 1 3 335.452 0.813 20 0 ECADHO C[NH2+]CCOc1ccccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000884371276 590814649 /nfs/dbraw/zinc/81/46/49/590814649.db2.gz KDWNCBGXJSWXQP-JKSUJKDBSA-N 1 3 343.431 0.585 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(N4CCNCC4)c3)CC[C@H]21 ZINC000884471107 590836479 /nfs/dbraw/zinc/83/64/79/590836479.db2.gz LNDGJYYPCLLRPY-HZPDHXFCSA-N 1 3 329.448 0.657 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc(N4CCNCC4)c3)CC[C@H]21 ZINC000884471107 590836482 /nfs/dbraw/zinc/83/64/82/590836482.db2.gz LNDGJYYPCLLRPY-HZPDHXFCSA-N 1 3 329.448 0.657 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000884518316 590848904 /nfs/dbraw/zinc/84/89/04/590848904.db2.gz LLYDYLANTKBIKD-HIFRSBDPSA-N 1 3 348.447 0.191 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCSC1 ZINC000884612906 590871704 /nfs/dbraw/zinc/87/17/04/590871704.db2.gz XMCSXNYCZLYHDQ-XJKCOSOUSA-N 1 3 342.509 0.174 20 0 ECADHO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCNCCC12CCC2 ZINC000884664151 590885691 /nfs/dbraw/zinc/88/56/91/590885691.db2.gz DUJSYLAJHVVOEZ-UHFFFAOYSA-N 1 3 348.491 0.722 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000884680921 590891925 /nfs/dbraw/zinc/89/19/25/590891925.db2.gz FUIAUKOQIVVECT-CABCVRRESA-N 1 3 345.447 0.235 20 0 ECADHO O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000884692645 590899520 /nfs/dbraw/zinc/89/95/20/590899520.db2.gz MWTPHLCKVWPEPF-MRXNPFEDSA-N 1 3 344.459 0.635 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884703062 590901768 /nfs/dbraw/zinc/90/17/68/590901768.db2.gz QVDWMGUJXXANKJ-ZFWWWQNUSA-N 1 3 333.436 0.218 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CCN1c1ccncc1 ZINC000884715665 590906246 /nfs/dbraw/zinc/90/62/46/590906246.db2.gz AMPQGHLRQQBDHX-HUUCEWRRSA-N 1 3 345.447 0.377 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000884751858 590916401 /nfs/dbraw/zinc/91/64/01/590916401.db2.gz PLEZWIUORZJZCR-CQSZACIVSA-N 1 3 345.447 0.364 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884775869 590919312 /nfs/dbraw/zinc/91/93/12/590919312.db2.gz KOVBVALNGGVTNK-HZPDHXFCSA-N 1 3 348.491 0.864 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884776626 590919762 /nfs/dbraw/zinc/91/97/62/590919762.db2.gz WPZFKENXROURJK-KLHDSHLOSA-N 1 3 334.464 0.472 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887081341 590939709 /nfs/dbraw/zinc/93/97/09/590939709.db2.gz QOLYHQVBNIJKIP-SFHVURJKSA-N 1 3 336.480 0.533 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000887091309 590942459 /nfs/dbraw/zinc/94/24/59/590942459.db2.gz GYUNAOQLSSOWRQ-ZDUSSCGKSA-N 1 3 333.436 0.314 20 0 ECADHO C[NH+](C)CCn1nccc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889750594 591079726 /nfs/dbraw/zinc/07/97/26/591079726.db2.gz PUVYIBULJDYGTB-CABCVRRESA-N 1 3 335.452 0.116 20 0 ECADHO CCN1CCN(CCCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000930218367 611402070 /nfs/dbraw/zinc/40/20/70/611402070.db2.gz LUYYYWVOCLIZEA-UHFFFAOYSA-N 1 3 326.485 0.241 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2CC1)N(C)C ZINC000946784716 611476723 /nfs/dbraw/zinc/47/67/23/611476723.db2.gz QDSNLQDRVUZLJW-XUWVNRHRSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1)N(C)C ZINC000946784716 611476725 /nfs/dbraw/zinc/47/67/25/611476725.db2.gz QDSNLQDRVUZLJW-XUWVNRHRSA-N 1 3 336.480 0.386 20 0 ECADHO [NH3+]CCC[C@@H](NCCS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000925591514 611489262 /nfs/dbraw/zinc/48/92/62/611489262.db2.gz QHPXEGLASQLRCW-MRXNPFEDSA-N 1 3 341.477 0.718 20 0 ECADHO O[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)CN1CCc2ccccc2C1 ZINC000925606419 611491456 /nfs/dbraw/zinc/49/14/56/611491456.db2.gz JLBLMAZTEGRELX-IEJRGFGGSA-N 1 3 327.472 0.992 20 0 ECADHO O=C(CN1CCCC1)N1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000946804009 611492207 /nfs/dbraw/zinc/49/22/07/611492207.db2.gz DVWVJMSDAOXPDW-UHFFFAOYSA-N 1 3 348.491 0.818 20 0 ECADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000926314561 611533737 /nfs/dbraw/zinc/53/37/37/611533737.db2.gz LINGEJWCLVXFQH-CVEARBPZSA-N 1 3 336.480 0.661 20 0 ECADHO O=C(C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)N1CC[C@H](N2CCCCC2)C1 ZINC000926330502 611536255 /nfs/dbraw/zinc/53/62/55/611536255.db2.gz AABIEMMPIRDHTO-QFBILLFUSA-N 1 3 348.491 0.818 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000931538329 611548281 /nfs/dbraw/zinc/54/82/81/611548281.db2.gz HWTIWSUROBMYPZ-HOTGVXAUSA-N 1 3 336.480 0.800 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000931538329 611548284 /nfs/dbraw/zinc/54/82/84/611548284.db2.gz HWTIWSUROBMYPZ-HOTGVXAUSA-N 1 3 336.480 0.800 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC000954838499 608638570 /nfs/dbraw/zinc/63/85/70/608638570.db2.gz CZBYAODVCUFZLN-SUMWQHHRSA-N 1 3 336.480 0.338 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC000954838499 608638572 /nfs/dbraw/zinc/63/85/72/608638572.db2.gz CZBYAODVCUFZLN-SUMWQHHRSA-N 1 3 336.480 0.338 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933848907 608778008 /nfs/dbraw/zinc/77/80/08/608778008.db2.gz WQINYFYNZOLQRX-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCn1cncn1 ZINC000947775915 611685536 /nfs/dbraw/zinc/68/55/36/611685536.db2.gz RTNAAXCJJPIPGG-DOTOQJQBSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)CCN1C ZINC000928435972 611687968 /nfs/dbraw/zinc/68/79/68/611687968.db2.gz DYRXLZWRPNWZRA-KBUPBQIOSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)CCN1C ZINC000928435972 611687969 /nfs/dbraw/zinc/68/79/69/611687969.db2.gz DYRXLZWRPNWZRA-KBUPBQIOSA-N 1 3 336.480 0.574 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1=O ZINC000928448325 611689486 /nfs/dbraw/zinc/68/94/86/611689486.db2.gz NIDLWVYPQVFCMW-FPCVCCKLSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1=O ZINC000928448325 611689489 /nfs/dbraw/zinc/68/94/89/611689489.db2.gz NIDLWVYPQVFCMW-FPCVCCKLSA-N 1 3 336.480 0.528 20 0 ECADHO Cc1cccc(NCCNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000920459254 609683473 /nfs/dbraw/zinc/68/34/73/609683473.db2.gz BEMSEXNOAFIHQY-HNNXBMFYSA-N 1 3 348.495 0.985 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C[C@]2(C)C1 ZINC000910603820 609738109 /nfs/dbraw/zinc/73/81/09/609738109.db2.gz VBTYSGRPIFMYNY-RKVPGOIHSA-N 1 3 334.464 0.093 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C[C@]2(C)C1 ZINC000910603820 609738110 /nfs/dbraw/zinc/73/81/10/609738110.db2.gz VBTYSGRPIFMYNY-RKVPGOIHSA-N 1 3 334.464 0.093 20 0 ECADHO CN1CCN(C(=O)C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CCC1(C)C ZINC000910767513 609758704 /nfs/dbraw/zinc/75/87/04/609758704.db2.gz SXWINHAVHLKGER-KDOFPFPSSA-N 1 3 336.480 0.339 20 0 ECADHO CN1CCN(C(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CCC1(C)C ZINC000910767513 609758705 /nfs/dbraw/zinc/75/87/05/609758705.db2.gz SXWINHAVHLKGER-KDOFPFPSSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)N1CCCCC1 ZINC000910959401 609783019 /nfs/dbraw/zinc/78/30/19/609783019.db2.gz PYJVHIJGAZRXRR-GOSISDBHSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911030231 609796742 /nfs/dbraw/zinc/79/67/42/609796742.db2.gz TZVDSMDGKDSFDM-KLHDSHLOSA-N 1 3 338.496 0.666 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000911065671 609799538 /nfs/dbraw/zinc/79/95/38/609799538.db2.gz CSMYKMVYZWQZFK-IAGOWNOFSA-N 1 3 342.443 0.470 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CN1C1CC1 ZINC000911145963 609814665 /nfs/dbraw/zinc/81/46/65/609814665.db2.gz IQNALILAPJLNCB-VGOVLVCLSA-N 1 3 342.443 0.469 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911222283 609828883 /nfs/dbraw/zinc/82/88/83/609828883.db2.gz BYZNWZVVLNKRQB-RLFYNMQTSA-N 1 3 334.464 0.317 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000911269560 609834336 /nfs/dbraw/zinc/83/43/36/609834336.db2.gz LRGVHRHUBRMOHE-YLFCFFPRSA-N 1 3 342.443 0.470 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000911269560 609834338 /nfs/dbraw/zinc/83/43/38/609834338.db2.gz LRGVHRHUBRMOHE-YLFCFFPRSA-N 1 3 342.443 0.470 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000911257684 609837693 /nfs/dbraw/zinc/83/76/93/609837693.db2.gz JYEGQOBCAPUEST-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911257281 609837730 /nfs/dbraw/zinc/83/77/30/609837730.db2.gz GEEFSXUQELCQIG-DAXOMENPSA-N 1 3 332.448 0.574 20 0 ECADHO CCO[C@H](CNC(=O)NCC(C)(C)N1CCN(C)CC1)C[NH+](C)C ZINC000913997611 609842168 /nfs/dbraw/zinc/84/21/68/609842168.db2.gz UKSDHQWNUMUFFH-OAHLLOKOSA-N 1 3 343.516 0.278 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911334344 609850279 /nfs/dbraw/zinc/85/02/79/609850279.db2.gz ZXFQMAGGNZLIDZ-OWCLPIDISA-N 1 3 338.496 0.585 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000938567763 609874970 /nfs/dbraw/zinc/87/49/70/609874970.db2.gz GGXIOXHYKPQGHJ-HOTGVXAUSA-N 1 3 345.447 0.353 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911517320 609889777 /nfs/dbraw/zinc/88/97/77/609889777.db2.gz RZHPIELUBAHFTF-FVQBIDKESA-N 1 3 330.432 0.280 20 0 ECADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000911551459 609893603 /nfs/dbraw/zinc/89/36/03/609893603.db2.gz MENVBHLHZMFTBG-LVQVYYBASA-N 1 3 334.464 0.472 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911562010 609895626 /nfs/dbraw/zinc/89/56/26/609895626.db2.gz JCBDKMALWZVMTB-XHSDSOJGSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000938621259 609905024 /nfs/dbraw/zinc/90/50/24/609905024.db2.gz PPMRJPRSXNAYMK-HNNXBMFYSA-N 1 3 347.463 0.790 20 0 ECADHO N[C@H]1CCc2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2NC1=O ZINC000911855877 609917599 /nfs/dbraw/zinc/91/75/99/609917599.db2.gz JHHPYPLYKLNMFG-ILXRZTDVSA-N 1 3 328.416 0.865 20 0 ECADHO C[NH+](C)CCCNC(=S)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000916017081 609929090 /nfs/dbraw/zinc/92/90/90/609929090.db2.gz QMOLLWCBCPZLFG-OAHLLOKOSA-N 1 3 328.526 0.999 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000938304482 610039575 /nfs/dbraw/zinc/03/95/75/610039575.db2.gz GNTGTTIGRSMEIZ-BBWFWOEESA-N 1 3 348.491 0.672 20 0 ECADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939911359 610166061 /nfs/dbraw/zinc/16/60/61/610166061.db2.gz TVAJTGNXXANZAU-CVEARBPZSA-N 1 3 345.447 0.353 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000942428526 610444193 /nfs/dbraw/zinc/44/41/93/610444193.db2.gz FVXXROHGSDPYAL-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO CN(C)[C@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC000941102912 610537334 /nfs/dbraw/zinc/53/73/34/610537334.db2.gz XMHDSONGJFVCIC-CVEARBPZSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)[C@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC000941102912 610537336 /nfs/dbraw/zinc/53/73/36/610537336.db2.gz XMHDSONGJFVCIC-CVEARBPZSA-N 1 3 336.480 0.339 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000941271267 610625140 /nfs/dbraw/zinc/62/51/40/610625140.db2.gz FXDHHBUHTXDEBN-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408547 610722541 /nfs/dbraw/zinc/72/25/41/610722541.db2.gz KJBNCFSUCBHZIH-GOSISDBHSA-N 1 3 334.508 0.813 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000944152373 610768314 /nfs/dbraw/zinc/76/83/14/610768314.db2.gz DJQXHLPEPGVXIY-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000944329291 610839728 /nfs/dbraw/zinc/83/97/28/610839728.db2.gz RUUQRRRUVVVMMS-OWCLPIDISA-N 1 3 347.463 0.790 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000944329291 610839731 /nfs/dbraw/zinc/83/97/31/610839731.db2.gz RUUQRRRUVVVMMS-OWCLPIDISA-N 1 3 347.463 0.790 20 0 ECADHO CCOc1ccc(OC[C@H](O)CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000923285971 611224662 /nfs/dbraw/zinc/22/46/62/611224662.db2.gz KIDOUXVMOUHFTQ-MRXNPFEDSA-N 1 3 337.464 0.662 20 0 ECADHO CCO[C@H](CNC(=O)NC1CCN([C@@H]2CCOC2)CC1)C[NH+](C)C ZINC000923321537 611229488 /nfs/dbraw/zinc/22/94/88/611229488.db2.gz GVYOIWFJXMRHFV-HZPDHXFCSA-N 1 3 342.484 0.506 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923499898 611251721 /nfs/dbraw/zinc/25/17/21/611251721.db2.gz MVAFOWLNHPTGLV-UONOGXRCSA-N 1 3 326.441 0.204 20 0 ECADHO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500001 611252109 /nfs/dbraw/zinc/25/21/09/611252109.db2.gz TXDULSOTEZVHNW-ZNMIVQPWSA-N 1 3 325.453 0.847 20 0 ECADHO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499999 611252220 /nfs/dbraw/zinc/25/22/20/611252220.db2.gz TXDULSOTEZVHNW-KFWWJZLASA-N 1 3 325.453 0.847 20 0 ECADHO CCOC(=O)N1CCC(NC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923498531 611252246 /nfs/dbraw/zinc/25/22/46/611252246.db2.gz OMNMYMLWLQYSGE-UONOGXRCSA-N 1 3 340.468 0.640 20 0 ECADHO COC(=O)[C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]([C@H]2CCCO2)C1 ZINC000923550980 611260817 /nfs/dbraw/zinc/26/08/17/611260817.db2.gz IQFGOZHMKPJPAT-QKPAOTATSA-N 1 3 338.448 0.798 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000929399898 611266843 /nfs/dbraw/zinc/26/68/43/611266843.db2.gz WXQADABCUAZCJL-HNNXBMFYSA-N 1 3 340.512 0.881 20 0 ECADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c3c(nn2C)CCOC3)CC1 ZINC000921686933 611301723 /nfs/dbraw/zinc/30/17/23/611301723.db2.gz ZGLXZZYTFKQXIE-OAHLLOKOSA-N 1 3 335.496 0.856 20 0 ECADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2C[NH2+]CCCO2)cc(Cl)n1 ZINC000834860543 611304872 /nfs/dbraw/zinc/30/48/72/611304872.db2.gz BSRDDQYIUMXMFR-QWHCGFSZSA-N 1 3 326.828 0.928 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933849349 611753678 /nfs/dbraw/zinc/75/36/78/611753678.db2.gz XRPWPOOKZGUBRX-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933849349 611753680 /nfs/dbraw/zinc/75/36/80/611753680.db2.gz XRPWPOOKZGUBRX-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000948965270 611774391 /nfs/dbraw/zinc/77/43/91/611774391.db2.gz BXASCFPRAHGHCS-INIZCTEOSA-N 1 3 336.480 0.389 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000948965270 611774394 /nfs/dbraw/zinc/77/43/94/611774394.db2.gz BXASCFPRAHGHCS-INIZCTEOSA-N 1 3 336.480 0.389 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000950716015 611860741 /nfs/dbraw/zinc/86/07/41/611860741.db2.gz GYNLFTBEASFKNU-RBSFLKMASA-N 1 3 336.480 0.386 20 0 ECADHO CN(CC(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1)C1CCC1 ZINC000950823470 611926236 /nfs/dbraw/zinc/92/62/36/611926236.db2.gz GYLSCOKPISKDDD-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904587 612418264 /nfs/dbraw/zinc/41/82/64/612418264.db2.gz GCFWXVXIZJEINQ-HOTGVXAUSA-N 1 3 336.480 0.623 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904587 612418266 /nfs/dbraw/zinc/41/82/66/612418266.db2.gz GCFWXVXIZJEINQ-HOTGVXAUSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000955342474 612467087 /nfs/dbraw/zinc/46/70/87/612467087.db2.gz ZRQDQNDCNQNQPV-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955342474 612467091 /nfs/dbraw/zinc/46/70/91/612467091.db2.gz ZRQDQNDCNQNQPV-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000953947415 612476759 /nfs/dbraw/zinc/47/67/59/612476759.db2.gz ADBVZPYQRYYMPZ-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000953947415 612476762 /nfs/dbraw/zinc/47/67/62/612476762.db2.gz ADBVZPYQRYYMPZ-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000951697034 612481272 /nfs/dbraw/zinc/48/12/72/612481272.db2.gz YFJWPCFBJLHWSS-ZBFHGGJFSA-N 1 3 347.463 0.791 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000951697034 612481275 /nfs/dbraw/zinc/48/12/75/612481275.db2.gz YFJWPCFBJLHWSS-ZBFHGGJFSA-N 1 3 347.463 0.791 20 0 ECADHO CN(CC(=O)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC000956064018 612668340 /nfs/dbraw/zinc/66/83/40/612668340.db2.gz DSDRGOYDJPDTLO-INIZCTEOSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000954838087 612732317 /nfs/dbraw/zinc/73/23/17/612732317.db2.gz BJYRCZIDBUMNRZ-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000954838087 612732320 /nfs/dbraw/zinc/73/23/20/612732320.db2.gz BJYRCZIDBUMNRZ-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000954838090 612732410 /nfs/dbraw/zinc/73/24/10/612732410.db2.gz BJYRCZIDBUMNRZ-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000954838090 612732413 /nfs/dbraw/zinc/73/24/13/612732413.db2.gz BJYRCZIDBUMNRZ-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC000954268730 612812163 /nfs/dbraw/zinc/81/21/63/612812163.db2.gz CRJVIQLWJBZIPM-MRXNPFEDSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325682 612856505 /nfs/dbraw/zinc/85/65/05/612856505.db2.gz LXPUOSYTYOMCFS-GASCZTMLSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325682 612856509 /nfs/dbraw/zinc/85/65/09/612856509.db2.gz LXPUOSYTYOMCFS-GASCZTMLSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000954326027 612857324 /nfs/dbraw/zinc/85/73/24/612857324.db2.gz MYSVXGHJJXQMOG-GOSISDBHSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000955075490 612883759 /nfs/dbraw/zinc/88/37/59/612883759.db2.gz VYHKTISHXZPMKQ-DZKIICNBSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC000955075490 612883760 /nfs/dbraw/zinc/88/37/60/612883760.db2.gz VYHKTISHXZPMKQ-DZKIICNBSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954384696 612886563 /nfs/dbraw/zinc/88/65/63/612886563.db2.gz CULYWXUMMULMEH-ZBFHGGJFSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954384696 612886565 /nfs/dbraw/zinc/88/65/65/612886565.db2.gz CULYWXUMMULMEH-ZBFHGGJFSA-N 1 3 345.447 0.638 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC000954411918 612896833 /nfs/dbraw/zinc/89/68/33/612896833.db2.gz XDSBJISAPUITOK-DAXOMENPSA-N 1 3 336.480 0.336 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC000954411918 612896836 /nfs/dbraw/zinc/89/68/36/612896836.db2.gz XDSBJISAPUITOK-DAXOMENPSA-N 1 3 336.480 0.336 20 0 ECADHO COCCCC[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561656 735526576 /nfs/dbraw/zinc/52/65/76/735526576.db2.gz LETURIZRHSTLLJ-UHFFFAOYSA-N 1 3 341.496 0.794 20 0 ECADHO COCCCC[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561656 735526578 /nfs/dbraw/zinc/52/65/78/735526578.db2.gz LETURIZRHSTLLJ-UHFFFAOYSA-N 1 3 341.496 0.794 20 0 ECADHO CC(C)N1CC[C@@H](N[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000969199930 731588153 /nfs/dbraw/zinc/58/81/53/731588153.db2.gz IQOWDHUBCCEKGC-HZPDHXFCSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2)C1CC1 ZINC000969208596 731599439 /nfs/dbraw/zinc/59/94/39/731599439.db2.gz VHGLODYVNOEAQV-MWDXBVQZSA-N 1 3 348.491 0.480 20 0 ECADHO CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2)C1CC1 ZINC000969208596 731599443 /nfs/dbraw/zinc/59/94/43/731599443.db2.gz VHGLODYVNOEAQV-MWDXBVQZSA-N 1 3 348.491 0.480 20 0 ECADHO CC(C)N(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100407676 731952657 /nfs/dbraw/zinc/95/26/57/731952657.db2.gz FIVOYDXGNQJADA-PUJMQQBBSA-N 1 3 338.496 0.678 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000969595322 731993193 /nfs/dbraw/zinc/99/31/93/731993193.db2.gz VRVSQMZUXZLFDU-RBSFLKMASA-N 1 3 343.493 0.096 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCc3n[nH]c(C)n3)C2)C1 ZINC000969675239 732040357 /nfs/dbraw/zinc/04/03/57/732040357.db2.gz RQZRRDMCCIIZHM-HUUCEWRRSA-N 1 3 334.468 0.926 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCc3n[nH]c(C)n3)C2)C1 ZINC000969675239 732040360 /nfs/dbraw/zinc/04/03/60/732040360.db2.gz RQZRRDMCCIIZHM-HUUCEWRRSA-N 1 3 334.468 0.926 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001078073433 782252707 /nfs/dbraw/zinc/25/27/07/782252707.db2.gz GGXIKYJTVKSKGZ-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@H](N[C@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000969813699 732395514 /nfs/dbraw/zinc/39/55/14/732395514.db2.gz DPFDTZQQNIYKIV-WBVHZDCISA-N 1 3 348.491 0.672 20 0 ECADHO Cn1nncc1C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167236508 733082557 /nfs/dbraw/zinc/08/25/57/733082557.db2.gz MRQKRPDDPRUYGL-UHFFFAOYSA-N 1 3 348.495 0.923 20 0 ECADHO C[C@H](NC(=O)c1occc1CN(C)C)C1C[NH+](CCn2cncn2)C1 ZINC000970338793 733373023 /nfs/dbraw/zinc/37/30/23/733373023.db2.gz HROLXDLTVRMYPU-ZDUSSCGKSA-N 1 3 346.435 0.683 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCN(CC(N)=O)C2)CC1)[NH+](C)C ZINC001039180412 733601825 /nfs/dbraw/zinc/60/18/25/733601825.db2.gz QKAPNITZNAZGFB-RDJZCZTQSA-N 1 3 338.496 0.618 20 0 ECADHO CC1CCN(C(=O)CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC000970490110 733611681 /nfs/dbraw/zinc/61/16/81/733611681.db2.gz LABIUWCUYRKMBE-MRXNPFEDSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000970716881 733865994 /nfs/dbraw/zinc/86/59/94/733865994.db2.gz HRBVOEFNMWMAAI-GDBMZVCRSA-N 1 3 334.464 0.426 20 0 ECADHO CC(C)(C)n1nnc(CC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000970719058 733867196 /nfs/dbraw/zinc/86/71/96/733867196.db2.gz ZNAIGCZWDNFVAV-CQSZACIVSA-N 1 3 349.483 0.257 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001067477643 734288801 /nfs/dbraw/zinc/28/88/01/734288801.db2.gz HGUJUWSPMHGKTG-JKSUJKDBSA-N 1 3 340.512 0.833 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001067477643 734288806 /nfs/dbraw/zinc/28/88/06/734288806.db2.gz HGUJUWSPMHGKTG-JKSUJKDBSA-N 1 3 340.512 0.833 20 0 ECADHO COCCN1CCC(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891439959 734696947 /nfs/dbraw/zinc/69/69/47/734696947.db2.gz RVDRNQXWBQGYAZ-GFCCVEGCSA-N 1 3 334.411 0.641 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCCS(C)(=O)=O)CC1 ZINC001167480526 734821451 /nfs/dbraw/zinc/82/14/51/734821451.db2.gz JLPWUZRXZRBALW-UHFFFAOYSA-N 1 3 347.525 0.639 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@H]2CCN(CC)C2=O)CC1 ZINC001167480842 734823514 /nfs/dbraw/zinc/82/35/14/734823514.db2.gz SZLRYPNAZQLSCL-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)N2CCCC2)CC1 ZINC001167480721 734825538 /nfs/dbraw/zinc/82/55/38/734825538.db2.gz SCCQHRKTQFJZQI-UHFFFAOYSA-N 1 3 338.496 0.827 20 0 ECADHO CCCNC(=O)C[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167480889 734825633 /nfs/dbraw/zinc/82/56/33/734825633.db2.gz VVXZGQISUHDGQB-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000971782264 735044130 /nfs/dbraw/zinc/04/41/30/735044130.db2.gz RDSXZSGRUVOBOR-JKSUJKDBSA-N 1 3 334.464 0.758 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000971782264 735044134 /nfs/dbraw/zinc/04/41/34/735044134.db2.gz RDSXZSGRUVOBOR-JKSUJKDBSA-N 1 3 334.464 0.758 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)n1 ZINC000971800074 735078740 /nfs/dbraw/zinc/07/87/40/735078740.db2.gz HURSJVQIZJOQNI-IAGOWNOFSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)n1 ZINC000971800074 735078742 /nfs/dbraw/zinc/07/87/42/735078742.db2.gz HURSJVQIZJOQNI-IAGOWNOFSA-N 1 3 348.495 0.912 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3cnn(C)c3)C2)C1 ZINC000972170910 735753754 /nfs/dbraw/zinc/75/37/54/735753754.db2.gz BREZNPXXHKRBPC-DLBZAZTESA-N 1 3 349.479 0.562 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cnn(C)c3)C2)C1 ZINC000972170910 735753757 /nfs/dbraw/zinc/75/37/57/735753757.db2.gz BREZNPXXHKRBPC-DLBZAZTESA-N 1 3 349.479 0.562 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCc3cnn(C)c3)C2)C1 ZINC000972336717 735964366 /nfs/dbraw/zinc/96/43/66/735964366.db2.gz YWCKDDHGGADNSK-WBVHZDCISA-N 1 3 333.480 0.837 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCc3cnn(C)c3)C2)C1 ZINC000972336717 735964370 /nfs/dbraw/zinc/96/43/70/735964370.db2.gz YWCKDDHGGADNSK-WBVHZDCISA-N 1 3 333.480 0.837 20 0 ECADHO CN(C)c1ccncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001022983799 736360404 /nfs/dbraw/zinc/36/04/04/736360404.db2.gz VUMQUJSWOANZBK-TXEJJXNPSA-N 1 3 329.408 0.327 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001023084679 736474167 /nfs/dbraw/zinc/47/41/67/736474167.db2.gz WISMHCWXWQMXOD-AEGPPILISA-N 1 3 333.436 0.482 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001023084679 736474169 /nfs/dbraw/zinc/47/41/69/736474169.db2.gz WISMHCWXWQMXOD-AEGPPILISA-N 1 3 333.436 0.482 20 0 ECADHO C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001087237016 736493448 /nfs/dbraw/zinc/49/34/48/736493448.db2.gz XRKOFGVVQBRBRJ-PMPSAXMXSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001023126512 736521948 /nfs/dbraw/zinc/52/19/48/736521948.db2.gz ZFQPEHKFDZTNCD-OWCLPIDISA-N 1 3 332.448 0.863 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001023131036 736526308 /nfs/dbraw/zinc/52/63/08/736526308.db2.gz UKKUBPSMCZHWOP-QXSJWSMHSA-N 1 3 346.479 0.877 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C23CCC[NH+](CCC2)C3)n1 ZINC001087258092 737415217 /nfs/dbraw/zinc/41/52/17/737415217.db2.gz VABJZWSHICQTLU-UHFFFAOYSA-N 1 3 333.436 0.784 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000972734076 737563629 /nfs/dbraw/zinc/56/36/29/737563629.db2.gz VHLMMUQAFGHOQX-SJORKVTESA-N 1 3 348.495 0.769 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000972734076 737563633 /nfs/dbraw/zinc/56/36/33/737563633.db2.gz VHLMMUQAFGHOQX-SJORKVTESA-N 1 3 348.495 0.769 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001023986124 737583086 /nfs/dbraw/zinc/58/30/86/737583086.db2.gz CKQGCBAXPDKTDC-YOEHRIQHSA-N 1 3 346.479 0.485 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001024017553 737621712 /nfs/dbraw/zinc/62/17/12/737621712.db2.gz FXYAQFPHZXFNNT-BBRMVZONSA-N 1 3 334.468 0.484 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001024180314 737801872 /nfs/dbraw/zinc/80/18/72/737801872.db2.gz VGFYYMDYWULDMS-GJZGRUSLSA-N 1 3 347.463 0.697 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001024239570 737846312 /nfs/dbraw/zinc/84/63/12/737846312.db2.gz XQUQPHQYMGXSNG-CQSZACIVSA-N 1 3 332.452 0.239 20 0 ECADHO C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)CN2CCCC2)C1 ZINC001006448743 751394255 /nfs/dbraw/zinc/39/42/55/751394255.db2.gz MJPPETATLYXYGE-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001006460182 751410617 /nfs/dbraw/zinc/41/06/17/751410617.db2.gz ZQURCWVZAIHNNX-CJNGLKHVSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000988009793 751429807 /nfs/dbraw/zinc/42/98/07/751429807.db2.gz ZIEAOYWSXKUJDT-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001026148357 740422852 /nfs/dbraw/zinc/42/28/52/740422852.db2.gz BRRVKLBXNDVJDX-AZLANHEYSA-N 1 3 345.491 0.882 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001026148357 740422853 /nfs/dbraw/zinc/42/28/53/740422853.db2.gz BRRVKLBXNDVJDX-AZLANHEYSA-N 1 3 345.491 0.882 20 0 ECADHO Cn1cc(Br)c(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001220335853 740546631 /nfs/dbraw/zinc/54/66/31/740546631.db2.gz WKMWEBFSEPOKRX-NSHDSACASA-N 1 3 330.230 0.126 20 0 ECADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CCNCc1cnnn1C ZINC001104907973 740900513 /nfs/dbraw/zinc/90/05/13/740900513.db2.gz CLTMJBPLOBRROZ-BZUAXINKSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CCNCc1cnnn1C ZINC001104907973 740900517 /nfs/dbraw/zinc/90/05/17/740900517.db2.gz CLTMJBPLOBRROZ-BZUAXINKSA-N 1 3 348.495 0.731 20 0 ECADHO Cn1cc(CN[C@@H]2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)nn1 ZINC001026349029 740986520 /nfs/dbraw/zinc/98/65/20/740986520.db2.gz VFLWZOBBFBRPAZ-BHYGNILZSA-N 1 3 346.479 0.484 20 0 ECADHO O=C(C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21)N1CCC1 ZINC001026365617 741063752 /nfs/dbraw/zinc/06/37/52/741063752.db2.gz YRFOFUCWPWLIRV-NWANDNLSSA-N 1 3 331.420 0.011 20 0 ECADHO O=C(C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]12)N1CCCC1 ZINC001026365674 741063979 /nfs/dbraw/zinc/06/39/79/741063979.db2.gz ZTVZZKJWOVZRAA-VNQPRFMTSA-N 1 3 345.447 0.401 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)[C@@H]2C1 ZINC001026366819 741070247 /nfs/dbraw/zinc/07/02/47/741070247.db2.gz QSONIDYFTVJBRT-FVQBIDKESA-N 1 3 345.447 0.401 20 0 ECADHO CC(C)(C(=O)NC1CCC([NH2+][C@@H]2CCNC2=O)CC1)N1CCCC1 ZINC001026540637 741534918 /nfs/dbraw/zinc/53/49/18/741534918.db2.gz VCLWMFZUPNROIE-YMAMQOFZSA-N 1 3 336.480 0.766 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000974410690 741639114 /nfs/dbraw/zinc/63/91/14/741639114.db2.gz SZOIELMUQLAUIF-YHUYYLMFSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000974410690 741639116 /nfs/dbraw/zinc/63/91/16/741639116.db2.gz SZOIELMUQLAUIF-YHUYYLMFSA-N 1 3 336.480 0.718 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027064922 742434971 /nfs/dbraw/zinc/43/49/71/742434971.db2.gz MWXFWJKUJMCWGA-LSDHHAIUSA-N 1 3 334.468 0.578 20 0 ECADHO Cn1nncc1C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000997003501 743116455 /nfs/dbraw/zinc/11/64/55/743116455.db2.gz BNUSEUNEKTUZHR-UHFFFAOYSA-N 1 3 334.468 0.628 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1 ZINC000997008947 743124131 /nfs/dbraw/zinc/12/41/31/743124131.db2.gz NJAWSUSKDPKINV-XJKSGUPXSA-N 1 3 347.463 0.764 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1 ZINC000997008947 743124137 /nfs/dbraw/zinc/12/41/37/743124137.db2.gz NJAWSUSKDPKINV-XJKSGUPXSA-N 1 3 347.463 0.764 20 0 ECADHO NC(=O)c1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027217018 743191969 /nfs/dbraw/zinc/19/19/69/743191969.db2.gz DUDXWKREQOAMQE-INIZCTEOSA-N 1 3 344.459 0.819 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001020583511 751829556 /nfs/dbraw/zinc/82/95/56/751829556.db2.gz ITYZGUSEICSCTQ-JYJNAYRXSA-N 1 3 348.491 0.672 20 0 ECADHO CCCN1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455971 751830662 /nfs/dbraw/zinc/83/06/62/751830662.db2.gz XJCNXOXLTMFLLM-BZUAXINKSA-N 1 3 327.469 0.713 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCC3)C2)CC[N@@H+]1C ZINC000997391058 743563575 /nfs/dbraw/zinc/56/35/75/743563575.db2.gz VTTYYWPONDNLFT-UKRRQHHQSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCC3)C2)CC[N@H+]1C ZINC000997391058 743563581 /nfs/dbraw/zinc/56/35/81/743563581.db2.gz VTTYYWPONDNLFT-UKRRQHHQSA-N 1 3 336.480 0.528 20 0 ECADHO COc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c(C)n1 ZINC001020588570 751851487 /nfs/dbraw/zinc/85/14/87/751851487.db2.gz FVHUFUWPZOPCFU-DAXOMENPSA-N 1 3 347.463 0.872 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)C1 ZINC001020589941 751854218 /nfs/dbraw/zinc/85/42/18/751854218.db2.gz IGVMDLCWTXNZJU-JKQORVJESA-N 1 3 348.491 0.718 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001027330738 743765298 /nfs/dbraw/zinc/76/52/98/743765298.db2.gz AWICMMGXMRMUGW-IAGOWNOFSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001027330738 743765299 /nfs/dbraw/zinc/76/52/99/743765299.db2.gz AWICMMGXMRMUGW-IAGOWNOFSA-N 1 3 348.495 0.912 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001027334622 743771058 /nfs/dbraw/zinc/77/10/58/743771058.db2.gz RIWUIYYEZWQHAP-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC001027334622 743771062 /nfs/dbraw/zinc/77/10/62/743771062.db2.gz RIWUIYYEZWQHAP-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+][C@@H]3CCN(C)C3=O)CC2)C1 ZINC000998082469 743967481 /nfs/dbraw/zinc/96/74/81/743967481.db2.gz PRLBJQPDHDTOOH-GOEBONIOSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000976495175 744022721 /nfs/dbraw/zinc/02/27/21/744022721.db2.gz JZMJCTRYSMGJEY-UIBIWLFHSA-N 1 3 348.491 0.386 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]21 ZINC000976507526 744038485 /nfs/dbraw/zinc/03/84/85/744038485.db2.gz MNFDYOWXWVDYKE-JJTUDDRGSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]21 ZINC000976507526 744038490 /nfs/dbraw/zinc/03/84/90/744038490.db2.gz MNFDYOWXWVDYKE-JJTUDDRGSA-N 1 3 348.491 0.526 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC000976560853 744090800 /nfs/dbraw/zinc/09/08/00/744090800.db2.gz ZGLMDCUAELOLOA-UUAJXVIYSA-N 1 3 348.491 0.241 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC000998718149 744296783 /nfs/dbraw/zinc/29/67/83/744296783.db2.gz BWTIMSWPIZWYKL-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CCn3cncn3)C2)CCC1 ZINC001027442051 744468550 /nfs/dbraw/zinc/46/85/50/744468550.db2.gz ZUQCIYGEJGYQCO-OAHLLOKOSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CCn3cncn3)C2)CCC1 ZINC001027442051 744468553 /nfs/dbraw/zinc/46/85/53/744468553.db2.gz ZUQCIYGEJGYQCO-OAHLLOKOSA-N 1 3 334.468 0.685 20 0 ECADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999168527 744545888 /nfs/dbraw/zinc/54/58/88/744545888.db2.gz FZCILESFEVIASJ-WBVHZDCISA-N 1 3 331.464 0.843 20 0 ECADHO Cn1cncc1CN[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999168524 744546064 /nfs/dbraw/zinc/54/60/64/744546064.db2.gz FZCILESFEVIASJ-DOTOQJQBSA-N 1 3 331.464 0.843 20 0 ECADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999169164 744546577 /nfs/dbraw/zinc/54/65/77/744546577.db2.gz IYDQJPPMYHMRTM-WBVHZDCISA-N 1 3 331.464 0.843 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CCC1 ZINC000999349730 744643601 /nfs/dbraw/zinc/64/36/01/744643601.db2.gz UIPRINJDSWTJDR-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCc3cnn(C)c3)C2)C1 ZINC000999407140 744680804 /nfs/dbraw/zinc/68/08/04/744680804.db2.gz DGVPIXSFZTWMFB-ODIFPOPNSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000977203650 744760948 /nfs/dbraw/zinc/76/09/48/744760948.db2.gz POXBJUSIKGLCPT-SUJAAXHWSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000977203650 744760951 /nfs/dbraw/zinc/76/09/51/744760951.db2.gz POXBJUSIKGLCPT-SUJAAXHWSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H](C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1)[NH+]1CCCCCC1 ZINC001020673091 751957469 /nfs/dbraw/zinc/95/74/69/751957469.db2.gz HIMZHNWGJDVLET-KKUMJFAQSA-N 1 3 334.468 0.816 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC000999876207 744983643 /nfs/dbraw/zinc/98/36/43/744983643.db2.gz IFAAKHVVDNHSQO-GPANFISMSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999875738 744983689 /nfs/dbraw/zinc/98/36/89/744983689.db2.gz AKEIKSFDRKBYHV-XUJLQICISA-N 1 3 334.468 0.769 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999875738 744983692 /nfs/dbraw/zinc/98/36/92/744983692.db2.gz AKEIKSFDRKBYHV-XUJLQICISA-N 1 3 334.468 0.769 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000999879542 744990520 /nfs/dbraw/zinc/99/05/20/744990520.db2.gz WVPKTRKYZNHTJL-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000999879542 744990523 /nfs/dbraw/zinc/99/05/23/744990523.db2.gz WVPKTRKYZNHTJL-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000983715281 745091667 /nfs/dbraw/zinc/09/16/67/745091667.db2.gz HMFBGBHJIOTBOX-VGWMRTNUSA-N 1 3 347.463 0.268 20 0 ECADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000983715281 745091672 /nfs/dbraw/zinc/09/16/72/745091672.db2.gz HMFBGBHJIOTBOX-VGWMRTNUSA-N 1 3 347.463 0.268 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029147576 745167102 /nfs/dbraw/zinc/16/71/02/745167102.db2.gz XBBKISHPYKPCCE-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO CCn1cc(CN[C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001029174281 745218574 /nfs/dbraw/zinc/21/85/74/745218574.db2.gz WIMJODCMZSXWPQ-GOEBONIOSA-N 1 3 348.495 0.966 20 0 ECADHO CCn1cc(CN[C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001029174281 745218577 /nfs/dbraw/zinc/21/85/77/745218577.db2.gz WIMJODCMZSXWPQ-GOEBONIOSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001000194117 745331250 /nfs/dbraw/zinc/33/12/50/745331250.db2.gz TVRGGWBXBMTHJL-CVEARBPZSA-N 1 3 333.480 0.885 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)n1 ZINC001000195231 745331443 /nfs/dbraw/zinc/33/14/43/745331443.db2.gz XUDIMKRDVNFRQG-RHSMWYFYSA-N 1 3 348.495 0.960 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)CC1(C)C ZINC000977649311 745336661 /nfs/dbraw/zinc/33/66/61/745336661.db2.gz BPRPIVHVZKTUHO-JKSUJKDBSA-N 1 3 348.495 0.979 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)CC1(C)C ZINC000977649311 745336666 /nfs/dbraw/zinc/33/66/66/745336666.db2.gz BPRPIVHVZKTUHO-JKSUJKDBSA-N 1 3 348.495 0.979 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)CC1(C)C ZINC000977649311 745336673 /nfs/dbraw/zinc/33/66/73/745336673.db2.gz BPRPIVHVZKTUHO-JKSUJKDBSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@H](N[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1)C(N)=O ZINC001000200063 745339335 /nfs/dbraw/zinc/33/93/35/745339335.db2.gz OOFNEQACLKGZNZ-WMLDXEAASA-N 1 3 346.475 0.859 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CCC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001027547391 745350994 /nfs/dbraw/zinc/35/09/94/745350994.db2.gz XWHGHSJVPUYAFH-HUUCEWRRSA-N 1 3 348.447 0.766 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CCC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001027547391 745350998 /nfs/dbraw/zinc/35/09/98/745350998.db2.gz XWHGHSJVPUYAFH-HUUCEWRRSA-N 1 3 348.447 0.766 20 0 ECADHO O=C(NC1(C2CC[NH+](CCO)CC2)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001000217237 745354493 /nfs/dbraw/zinc/35/44/93/745354493.db2.gz YDYSKEAKXPSVRM-BFHRDPOASA-N 1 3 349.475 0.203 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001000311184 745419791 /nfs/dbraw/zinc/41/97/91/745419791.db2.gz GOUMFIOAMCMPAL-GXTWGEPZSA-N 1 3 329.408 0.312 20 0 ECADHO CN1CC[C@H](N[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001000392671 745471463 /nfs/dbraw/zinc/47/14/63/745471463.db2.gz ZUVIEGCHPMXYPI-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)cc1 ZINC001000467574 745523142 /nfs/dbraw/zinc/52/31/42/745523142.db2.gz RSAAIBLPUWAWHZ-DLBZAZTESA-N 1 3 344.459 0.831 20 0 ECADHO C[C@@H](N[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC001000657686 745674603 /nfs/dbraw/zinc/67/46/03/745674603.db2.gz LVFUXCORNDTEGN-CJNGLKHVSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)[C@H]1CCCN1C)C(=O)C12CC[NH+](CC1)C2 ZINC000978052463 745861723 /nfs/dbraw/zinc/86/17/23/745861723.db2.gz JHIIXBYPCUGHRY-LSDHHAIUSA-N 1 3 334.464 0.236 20 0 ECADHO CC(C)c1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000916326 745895591 /nfs/dbraw/zinc/89/55/91/745895591.db2.gz GRBJLWZSNYRKGP-ZIAGYGMSSA-N 1 3 334.468 0.960 20 0 ECADHO CC(C)c1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000916326 745895598 /nfs/dbraw/zinc/89/55/98/745895598.db2.gz GRBJLWZSNYRKGP-ZIAGYGMSSA-N 1 3 334.468 0.960 20 0 ECADHO O=C(CN[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1)N1CCC1 ZINC001000990224 745956236 /nfs/dbraw/zinc/95/62/36/745956236.db2.gz AVJXZTDGZAFZNJ-INIZCTEOSA-N 1 3 336.480 0.675 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001419206 746358521 /nfs/dbraw/zinc/35/85/21/746358521.db2.gz QJWGLCBJPHIPMV-IIAWOOMASA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001419206 746358525 /nfs/dbraw/zinc/35/85/25/746358525.db2.gz QJWGLCBJPHIPMV-IIAWOOMASA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCn1nc(C)nc1C ZINC001087828432 746431730 /nfs/dbraw/zinc/43/17/30/746431730.db2.gz KZMIZYQYHJMFMO-YESZJQIVSA-N 1 3 348.495 0.816 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCn1nc(C)nc1C ZINC001087828432 746431733 /nfs/dbraw/zinc/43/17/33/746431733.db2.gz KZMIZYQYHJMFMO-YESZJQIVSA-N 1 3 348.495 0.816 20 0 ECADHO CCCN(C)CC(=O)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001203442693 746500934 /nfs/dbraw/zinc/50/09/34/746500934.db2.gz LXOUFNCGXGRDTG-MRXNPFEDSA-N 1 3 337.468 0.166 20 0 ECADHO C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC001027651923 746544830 /nfs/dbraw/zinc/54/48/30/746544830.db2.gz OIVVOCNUIOTIIG-CHWSQXEVSA-N 1 3 333.436 0.558 20 0 ECADHO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC001027651923 746544834 /nfs/dbraw/zinc/54/48/34/746544834.db2.gz OIVVOCNUIOTIIG-CHWSQXEVSA-N 1 3 333.436 0.558 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000978830193 746759419 /nfs/dbraw/zinc/75/94/19/746759419.db2.gz ADYUVLAUVMKBJQ-FPCVCCKLSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000978830193 746759425 /nfs/dbraw/zinc/75/94/25/746759425.db2.gz ADYUVLAUVMKBJQ-FPCVCCKLSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978840350 746767051 /nfs/dbraw/zinc/76/70/51/746767051.db2.gz NCKMQSJZVZMIMZ-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000978840350 746767054 /nfs/dbraw/zinc/76/70/54/746767054.db2.gz NCKMQSJZVZMIMZ-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cn1 ZINC000984807670 746964076 /nfs/dbraw/zinc/96/40/76/746964076.db2.gz JBOHXSODWMQNHT-QEWYBTABSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000984807670 746964080 /nfs/dbraw/zinc/96/40/80/746964080.db2.gz JBOHXSODWMQNHT-QEWYBTABSA-N 1 3 331.464 0.967 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978981594 746991976 /nfs/dbraw/zinc/99/19/76/746991976.db2.gz FTSRHIHGTRCKJQ-MIGQKNRLSA-N 1 3 346.475 0.043 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001002452074 747362880 /nfs/dbraw/zinc/36/28/80/747362880.db2.gz RRHFEEGKLKNDBK-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001002452074 747362886 /nfs/dbraw/zinc/36/28/86/747362886.db2.gz RRHFEEGKLKNDBK-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO O=C(NC1CCN(CCN2CCCC2=O)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002829287 747844559 /nfs/dbraw/zinc/84/45/59/747844559.db2.gz QRNZHSIIINXWDX-QGZVFWFLSA-N 1 3 348.491 0.531 20 0 ECADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432961 747994667 /nfs/dbraw/zinc/99/46/67/747994667.db2.gz KLSCQJBWDQDXAQ-QGZVFWFLSA-N 1 3 348.491 0.483 20 0 ECADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432467 748003122 /nfs/dbraw/zinc/00/31/22/748003122.db2.gz GVPNNMHHDJVJKB-SJORKVTESA-N 1 3 348.491 0.482 20 0 ECADHO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001003059970 748128783 /nfs/dbraw/zinc/12/87/83/748128783.db2.gz BJVYBMPNESVJLU-HIFRSBDPSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001003059970 748128785 /nfs/dbraw/zinc/12/87/85/748128785.db2.gz BJVYBMPNESVJLU-HIFRSBDPSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)[C@H]1CCNC1=O ZINC001029767753 748291397 /nfs/dbraw/zinc/29/13/97/748291397.db2.gz JWNYASLHCIWJMG-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001003773341 748880461 /nfs/dbraw/zinc/88/04/61/748880461.db2.gz ZCUNQQGBBLFDKQ-HNNXBMFYSA-N 1 3 347.463 0.649 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001003773341 748880464 /nfs/dbraw/zinc/88/04/64/748880464.db2.gz ZCUNQQGBBLFDKQ-HNNXBMFYSA-N 1 3 347.463 0.649 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC001003797478 748908508 /nfs/dbraw/zinc/90/85/08/748908508.db2.gz VSQRFSJTTLCZMG-JSGCOSHPSA-N 1 3 333.436 0.257 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC001003797478 748908514 /nfs/dbraw/zinc/90/85/14/748908514.db2.gz VSQRFSJTTLCZMG-JSGCOSHPSA-N 1 3 333.436 0.257 20 0 ECADHO Cc1noc(CCCN2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001003975822 749098287 /nfs/dbraw/zinc/09/82/87/749098287.db2.gz ZBNLMMSPBRRKQI-UHFFFAOYSA-N 1 3 347.463 0.987 20 0 ECADHO C[N@H+](CCN1CCCC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789772 749105912 /nfs/dbraw/zinc/10/59/12/749105912.db2.gz NXMFVTJOSQOPIP-UHFFFAOYSA-N 1 3 336.480 0.627 20 0 ECADHO C[N@@H+](CCN1CCCC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789772 749105916 /nfs/dbraw/zinc/10/59/16/749105916.db2.gz NXMFVTJOSQOPIP-UHFFFAOYSA-N 1 3 336.480 0.627 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001051342182 761920448 /nfs/dbraw/zinc/92/04/48/761920448.db2.gz STGXGGGCVHOXMW-MGPQQGTHSA-N 1 3 338.452 0.103 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001029876058 749285610 /nfs/dbraw/zinc/28/56/10/749285610.db2.gz RPIHQGBJGMEIOF-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001029876058 749285617 /nfs/dbraw/zinc/28/56/17/749285617.db2.gz RPIHQGBJGMEIOF-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC001004363385 749428408 /nfs/dbraw/zinc/42/84/08/749428408.db2.gz WEUWDZZOIDDWRB-MIGQKNRLSA-N 1 3 345.447 0.542 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC001004363385 749428411 /nfs/dbraw/zinc/42/84/11/749428411.db2.gz WEUWDZZOIDDWRB-MIGQKNRLSA-N 1 3 345.447 0.542 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000980407053 749508337 /nfs/dbraw/zinc/50/83/37/749508337.db2.gz VEXWDWWMYHFCRE-INIZCTEOSA-N 1 3 334.468 0.523 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000980407053 749508342 /nfs/dbraw/zinc/50/83/42/749508342.db2.gz VEXWDWWMYHFCRE-INIZCTEOSA-N 1 3 334.468 0.523 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001112531539 749804667 /nfs/dbraw/zinc/80/46/67/749804667.db2.gz CHGUVLXTGMRDMW-KSSFIOAISA-N 1 3 338.496 0.668 20 0 ECADHO CCCNC(=O)C[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167814731 749844942 /nfs/dbraw/zinc/84/49/42/749844942.db2.gz CFTGJDRTGOLJAY-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO C[C@@H]1C[C@H](CNCc2ccn(C)n2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766680 750119254 /nfs/dbraw/zinc/11/92/54/750119254.db2.gz FRFDSODTCYIULI-HUUCEWRRSA-N 1 3 331.464 0.843 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC001005177925 750330802 /nfs/dbraw/zinc/33/08/02/750330802.db2.gz GEUFWHYPWODUHO-KRWDZBQOSA-N 1 3 346.475 0.902 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001005186200 750344197 /nfs/dbraw/zinc/34/41/97/750344197.db2.gz YSCKOULMIIQFTE-DLBZAZTESA-N 1 3 349.479 0.261 20 0 ECADHO CCn1nncc1CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987359308 750753984 /nfs/dbraw/zinc/75/39/84/750753984.db2.gz NFQSUSSFVXTDOL-DZGCQCFKSA-N 1 3 332.452 0.473 20 0 ECADHO CC[C@@H](C(=O)N1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001006336366 751259135 /nfs/dbraw/zinc/25/91/35/751259135.db2.gz HVVIJXVBIZSPCE-CJNGLKHVSA-N 1 3 338.496 0.632 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001021048243 752477701 /nfs/dbraw/zinc/47/77/01/752477701.db2.gz WISMHCWXWQMXOD-BPLDGKMQSA-N 1 3 333.436 0.482 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001021048243 752477710 /nfs/dbraw/zinc/47/77/10/752477710.db2.gz WISMHCWXWQMXOD-BPLDGKMQSA-N 1 3 333.436 0.482 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001021091140 752531205 /nfs/dbraw/zinc/53/12/05/752531205.db2.gz SJAKVHCFHOCREL-AJNGGQMLSA-N 1 3 337.468 0.121 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001021094624 752535069 /nfs/dbraw/zinc/53/50/69/752535069.db2.gz WAECEXMQPDNBRZ-WKILWMFISA-N 1 3 344.459 0.831 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001021096211 752535901 /nfs/dbraw/zinc/53/59/01/752535901.db2.gz JIWSLSYEARRHDT-KLHDSHLOSA-N 1 3 336.480 0.718 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001030019451 753278724 /nfs/dbraw/zinc/27/87/24/753278724.db2.gz GHVWTXXDIYQMSB-SOUVJXGZSA-N 1 3 345.509 0.342 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001030019549 753384447 /nfs/dbraw/zinc/38/44/47/753384447.db2.gz XZINKSLOXLHUEY-RRFJBIMHSA-N 1 3 334.468 0.686 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000982777866 753531361 /nfs/dbraw/zinc/53/13/61/753531361.db2.gz HSPPFLOUVBXLPS-DOTOQJQBSA-N 1 3 348.491 0.389 20 0 ECADHO CC[C@H](C)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372485 753670952 /nfs/dbraw/zinc/67/09/52/753670952.db2.gz JRBZDLJXBJQGDR-UONOGXRCSA-N 1 3 334.468 0.749 20 0 ECADHO CC[C@H](C)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372485 753670956 /nfs/dbraw/zinc/67/09/56/753670956.db2.gz JRBZDLJXBJQGDR-UONOGXRCSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001075943065 753974110 /nfs/dbraw/zinc/97/41/10/753974110.db2.gz ZZNZDQLJYXTMOR-RRFJBIMHSA-N 1 3 326.485 0.678 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)n1 ZINC000989493886 754039685 /nfs/dbraw/zinc/03/96/85/754039685.db2.gz XCIJZQJMIQAEQV-IAQYHMDHSA-N 1 3 331.424 0.440 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051517246 762263704 /nfs/dbraw/zinc/26/37/04/762263704.db2.gz ZNSGQAGKNBEFLF-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H]1C[C@H](NCc2cnn(C)c2)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989618720 754193887 /nfs/dbraw/zinc/19/38/87/754193887.db2.gz NEDUSTLISGHWSV-HOCLYGCPSA-N 1 3 349.479 0.610 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000983020362 754448870 /nfs/dbraw/zinc/44/88/70/754448870.db2.gz NYYXYZWRBFLPDW-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)CN1C(=O)CN1CCCC1 ZINC000989799712 754460210 /nfs/dbraw/zinc/46/02/10/754460210.db2.gz NWBFAIOSYWTVPY-RHSMWYFYSA-N 1 3 344.459 0.960 20 0 ECADHO Cn1nccc1CCN1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001009200446 754643815 /nfs/dbraw/zinc/64/38/15/754643815.db2.gz HDLMPKSMGULNFD-CVEARBPZSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CCN1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009200446 754643819 /nfs/dbraw/zinc/64/38/19/754643819.db2.gz HDLMPKSMGULNFD-CVEARBPZSA-N 1 3 333.480 0.885 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]C[C@@H](O)COC)CC1 ZINC001168335673 754647168 /nfs/dbraw/zinc/64/71/68/754647168.db2.gz PEPPBYJFHLSSFQ-HZPDHXFCSA-N 1 3 341.496 0.744 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001168335688 754647222 /nfs/dbraw/zinc/64/72/22/754647222.db2.gz PZLGDUCZPBSENK-MRXNPFEDSA-N 1 3 341.496 0.746 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001028846014 755293642 /nfs/dbraw/zinc/29/36/42/755293642.db2.gz WARZIVVTYKMLAI-DLBZAZTESA-N 1 3 348.495 0.979 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028846014 755293646 /nfs/dbraw/zinc/29/36/46/755293646.db2.gz WARZIVVTYKMLAI-DLBZAZTESA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CCCF ZINC001088757106 755548044 /nfs/dbraw/zinc/54/80/44/755548044.db2.gz IRICJLMTQLPBAS-LQCZDEPNSA-N 1 3 325.428 0.788 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CCCF ZINC001088757106 755548047 /nfs/dbraw/zinc/54/80/47/755548047.db2.gz IRICJLMTQLPBAS-LQCZDEPNSA-N 1 3 325.428 0.788 20 0 ECADHO CCCN(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105669387 755675031 /nfs/dbraw/zinc/67/50/31/755675031.db2.gz RFYWXRBAWCXHLV-LMSBXDPUSA-N 1 3 341.496 0.287 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001051600595 762437595 /nfs/dbraw/zinc/43/75/95/762437595.db2.gz YCDFGAVUPDISQA-HIFRSBDPSA-N 1 3 349.479 0.956 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001051600595 762437597 /nfs/dbraw/zinc/43/75/97/762437597.db2.gz YCDFGAVUPDISQA-HIFRSBDPSA-N 1 3 349.479 0.956 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2cncn2C)C1 ZINC001051613202 762471139 /nfs/dbraw/zinc/47/11/39/762471139.db2.gz XDEYFCXBXHWUQX-DLBZAZTESA-N 1 3 349.479 0.610 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2cncn2C)C1 ZINC001051613202 762471143 /nfs/dbraw/zinc/47/11/43/762471143.db2.gz XDEYFCXBXHWUQX-DLBZAZTESA-N 1 3 349.479 0.610 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCc1cnn(C)c1 ZINC001088835822 756995297 /nfs/dbraw/zinc/99/52/97/756995297.db2.gz QBVXHFPPGHAQSY-PBHICJAKSA-N 1 3 333.480 0.883 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H](NCC(=O)N2CCC2)C(C)(C)C1)[NH+](C)C ZINC000996247219 757173890 /nfs/dbraw/zinc/17/38/90/757173890.db2.gz MAZAFTMETCJMMV-GDBMZVCRSA-N 1 3 338.496 0.632 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]3C2)C1=O ZINC001048860480 757206129 /nfs/dbraw/zinc/20/61/29/757206129.db2.gz WDKNOKLIICUXGI-OWCLPIDISA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]3C2)C1=O ZINC001048860480 757206136 /nfs/dbraw/zinc/20/61/36/757206136.db2.gz WDKNOKLIICUXGI-OWCLPIDISA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001011256429 757307811 /nfs/dbraw/zinc/30/78/11/757307811.db2.gz UDLXPOMVIUVZNO-MRXNPFEDSA-N 1 3 348.491 0.627 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1)N(C)C ZINC001011256155 757308711 /nfs/dbraw/zinc/30/87/11/757308711.db2.gz CXHABEVCLUCHKX-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1)N(C)C ZINC001011256155 757308723 /nfs/dbraw/zinc/30/87/23/757308723.db2.gz CXHABEVCLUCHKX-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011261540 757318873 /nfs/dbraw/zinc/31/88/73/757318873.db2.gz ATSMPFPLDCUQBY-OAHLLOKOSA-N 1 3 347.463 0.601 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011261540 757318884 /nfs/dbraw/zinc/31/88/84/757318884.db2.gz ATSMPFPLDCUQBY-OAHLLOKOSA-N 1 3 347.463 0.601 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001011262415 757323196 /nfs/dbraw/zinc/32/31/96/757323196.db2.gz GIBFGDPCRLMTSW-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001011262415 757323208 /nfs/dbraw/zinc/32/32/08/757323208.db2.gz GIBFGDPCRLMTSW-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001049024889 757727576 /nfs/dbraw/zinc/72/75/76/757727576.db2.gz HKNLWMKRKVGODY-HDICACEKSA-N 1 3 345.491 0.961 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001076956176 757742256 /nfs/dbraw/zinc/74/22/56/757742256.db2.gz HDSLUNABZBVLJF-XJKSGUPXSA-N 1 3 326.485 0.679 20 0 ECADHO Cn1nccc1CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996519806 757929004 /nfs/dbraw/zinc/92/90/04/757929004.db2.gz LWWUQOSRHMWIEQ-OAHLLOKOSA-N 1 3 331.464 0.843 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+]C[C@H]3CCOC3)C2)CCC1 ZINC001051651558 762591175 /nfs/dbraw/zinc/59/11/75/762591175.db2.gz LAPIJWHHGQPHBD-HUUCEWRRSA-N 1 3 325.453 0.324 20 0 ECADHO Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000996620476 758261193 /nfs/dbraw/zinc/26/11/93/758261193.db2.gz ONENRBYHWJCJBZ-SJORKVTESA-N 1 3 347.463 0.364 20 0 ECADHO Cc1ccncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001022121838 758306804 /nfs/dbraw/zinc/30/68/04/758306804.db2.gz MEYXUNPPTRYJFD-MHORFTMASA-N 1 3 344.459 0.990 20 0 ECADHO Cc1ccncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001022121840 758308306 /nfs/dbraw/zinc/30/83/06/758308306.db2.gz MEYXUNPPTRYJFD-XMTFNYHQSA-N 1 3 344.459 0.990 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001049234708 758401914 /nfs/dbraw/zinc/40/19/14/758401914.db2.gz HHGMJKXPQUOYKY-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996680790 758457414 /nfs/dbraw/zinc/45/74/14/758457414.db2.gz VFOUMUWPCCDCSC-INIZCTEOSA-N 1 3 334.468 0.719 20 0 ECADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2)N(C)C ZINC001107451493 758598998 /nfs/dbraw/zinc/59/89/98/758598998.db2.gz VUCFKTWLKMMRSY-JFIYKMOQSA-N 1 3 348.495 0.979 20 0 ECADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2)N(C)C ZINC001107451493 758599008 /nfs/dbraw/zinc/59/90/08/758599008.db2.gz VUCFKTWLKMMRSY-JFIYKMOQSA-N 1 3 348.495 0.979 20 0 ECADHO Cc1nc(C)c(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC001127780121 758634526 /nfs/dbraw/zinc/63/45/26/758634526.db2.gz VZXUTLMHWDOAQB-ZIAGYGMSSA-N 1 3 338.477 0.829 20 0 ECADHO Cc1nc(C)c(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC001127780121 758634530 /nfs/dbraw/zinc/63/45/30/758634530.db2.gz VZXUTLMHWDOAQB-ZIAGYGMSSA-N 1 3 338.477 0.829 20 0 ECADHO Cc1nc(C)c(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC001127780115 758634643 /nfs/dbraw/zinc/63/46/43/758634643.db2.gz VZXUTLMHWDOAQB-KBPBESRZSA-N 1 3 338.477 0.829 20 0 ECADHO Cc1nc(C)c(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC001127780115 758634647 /nfs/dbraw/zinc/63/46/47/758634647.db2.gz VZXUTLMHWDOAQB-KBPBESRZSA-N 1 3 338.477 0.829 20 0 ECADHO O=C(N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299535 758741810 /nfs/dbraw/zinc/74/18/10/758741810.db2.gz GGTFLKSMQNRFJU-ARFHVFGLSA-N 1 3 337.464 0.203 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCn2cncn2)CC[N@@H+]1C ZINC001049484417 758793629 /nfs/dbraw/zinc/79/36/29/758793629.db2.gz GTSROIOHEDYWLV-NCOADZHNSA-N 1 3 346.479 0.684 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCn2cncn2)CC[N@H+]1C ZINC001049484417 758793635 /nfs/dbraw/zinc/79/36/35/758793635.db2.gz GTSROIOHEDYWLV-NCOADZHNSA-N 1 3 346.479 0.684 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCO ZINC001049609452 758988262 /nfs/dbraw/zinc/98/82/62/758988262.db2.gz GROYXFQMZBKWBG-ASLPWWTFSA-N 1 3 349.475 0.297 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCO ZINC001049609452 758988269 /nfs/dbraw/zinc/98/82/69/758988269.db2.gz GROYXFQMZBKWBG-ASLPWWTFSA-N 1 3 349.475 0.297 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001022711638 759024040 /nfs/dbraw/zinc/02/40/40/759024040.db2.gz CHKHEQOGLGCWOE-PNBKFKSVSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)C1 ZINC001022713228 759027996 /nfs/dbraw/zinc/02/79/96/759027996.db2.gz IGVMDLCWTXNZJU-PNBKFKSVSA-N 1 3 348.491 0.718 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022713640 759028604 /nfs/dbraw/zinc/02/86/04/759028604.db2.gz LHPSSMXENVAMNL-LKQDWFRTSA-N 1 3 340.443 0.324 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001022806828 759128790 /nfs/dbraw/zinc/12/87/90/759128790.db2.gz BIJYYMYZGASJOS-XUWVNRHRSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@H](C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1)[NH+]1CCCCCC1 ZINC001022807464 759129593 /nfs/dbraw/zinc/12/95/93/759129593.db2.gz HIMZHNWGJDVLET-KFWWJZLASA-N 1 3 334.468 0.816 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CCO)cn1 ZINC001049783025 759200049 /nfs/dbraw/zinc/20/00/49/759200049.db2.gz SSBDKDZIUVCWNQ-HZPDHXFCSA-N 1 3 335.452 0.116 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)C1=O ZINC001107042496 759504294 /nfs/dbraw/zinc/50/42/94/759504294.db2.gz ONTIZLCZVWHDMX-OAGGEKHMSA-N 1 3 338.496 0.632 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001050063358 759640424 /nfs/dbraw/zinc/64/04/24/759640424.db2.gz HYZQDFNMVHNYBX-USXIJHARSA-N 1 3 348.491 0.624 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001050063358 759640433 /nfs/dbraw/zinc/64/04/33/759640433.db2.gz HYZQDFNMVHNYBX-USXIJHARSA-N 1 3 348.491 0.624 20 0 ECADHO COc1nccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001048058596 759899006 /nfs/dbraw/zinc/89/90/06/759899006.db2.gz GKTBGGJIBGTUSM-LSDHHAIUSA-N 1 3 347.463 0.908 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@@H](CC[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001050235551 760017766 /nfs/dbraw/zinc/01/77/66/760017766.db2.gz NQKUCMYOFHYEDN-CABCVRRESA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2nnnn2C)CC1 ZINC001050364478 760183659 /nfs/dbraw/zinc/18/36/59/760183659.db2.gz AHTOBVADLJKBEO-TUVASFSCSA-N 1 3 349.483 0.172 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2nnnn2C)CC1 ZINC001050364478 760183663 /nfs/dbraw/zinc/18/36/63/760183663.db2.gz AHTOBVADLJKBEO-TUVASFSCSA-N 1 3 349.483 0.172 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001048279171 760208695 /nfs/dbraw/zinc/20/86/95/760208695.db2.gz GZPPSJYAGCLEFR-ZIAGYGMSSA-N 1 3 334.468 0.484 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000945398024 760215864 /nfs/dbraw/zinc/21/58/64/760215864.db2.gz BCERCVKXMDRSBI-OAHLLOKOSA-N 1 3 334.464 0.284 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC2([NH3+])CC2)c1 ZINC000911504264 760345697 /nfs/dbraw/zinc/34/56/97/760345697.db2.gz ICKLAGZTDJUFPO-UHFFFAOYSA-N 1 3 332.448 0.493 20 0 ECADHO CCn1cc(CNC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)nn1 ZINC001048365045 760380201 /nfs/dbraw/zinc/38/02/01/760380201.db2.gz BXGQDEZSUHSING-GOEBONIOSA-N 1 3 348.495 0.824 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001048387926 760420054 /nfs/dbraw/zinc/42/00/54/760420054.db2.gz SZFVRELKNLTSRS-CABCVRRESA-N 1 3 348.495 0.731 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050542665 760460996 /nfs/dbraw/zinc/46/09/96/760460996.db2.gz IUASUQHYBFTGLL-ZFWWWQNUSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNCc1nncn1C ZINC001048437510 760527365 /nfs/dbraw/zinc/52/73/65/760527365.db2.gz CSWHXZCAMJGGOS-UONOGXRCSA-N 1 3 332.452 0.095 20 0 ECADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1NCC(N)=O ZINC000995921851 760780910 /nfs/dbraw/zinc/78/09/10/760780910.db2.gz YVFPRRBQNMFFHJ-GJZGRUSLSA-N 1 3 336.480 0.705 20 0 ECADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1NCC(N)=O ZINC000995921851 760780913 /nfs/dbraw/zinc/78/09/13/760780913.db2.gz YVFPRRBQNMFFHJ-GJZGRUSLSA-N 1 3 336.480 0.705 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000991477638 761126157 /nfs/dbraw/zinc/12/61/57/761126157.db2.gz HIRKOVJXMMXTFR-GOEBONIOSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000991477638 761126162 /nfs/dbraw/zinc/12/61/62/761126162.db2.gz HIRKOVJXMMXTFR-GOEBONIOSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000991541048 761471073 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LUVBERMTXRBULE-GJZGRUSLSA-N 1 3 326.485 0.537 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001267057255 836692180 /nfs/dbraw/zinc/69/21/80/836692180.db2.gz DJLWRRGNIUFQMB-GJZGRUSLSA-N 1 3 345.509 0.201 20 0 ECADHO CCN(CC)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001408577126 836918762 /nfs/dbraw/zinc/91/87/62/836918762.db2.gz JEZZCDRDOSSTCC-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001408577126 836918774 /nfs/dbraw/zinc/91/87/74/836918774.db2.gz JEZZCDRDOSSTCC-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000418829903 282169334 /nfs/dbraw/zinc/16/93/34/282169334.db2.gz DYZHXXRWEFJHKU-JKSUJKDBSA-N 1 3 332.448 0.144 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354672682 299092680 /nfs/dbraw/zinc/09/26/80/299092680.db2.gz DQOBVDCAEJBXIH-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103313629 219290531 /nfs/dbraw/zinc/29/05/31/219290531.db2.gz RXHGMTOYRUQQMK-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103313629 219290533 /nfs/dbraw/zinc/29/05/33/219290533.db2.gz RXHGMTOYRUQQMK-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 ZINC000423725536 283057681 /nfs/dbraw/zinc/05/76/81/283057681.db2.gz HRSJXUZFSFCHLC-JYJNAYRXSA-N 1 3 338.496 0.763 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 ZINC000423725536 283057682 /nfs/dbraw/zinc/05/76/82/283057682.db2.gz HRSJXUZFSFCHLC-JYJNAYRXSA-N 1 3 338.496 0.763 20 0 ECADHO CNC(=O)NC(=O)CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171304345 283346250 /nfs/dbraw/zinc/34/62/50/283346250.db2.gz LVCQONLJQAKKDP-KBPBESRZSA-N 1 3 340.468 0.653 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420431619 209365231 /nfs/dbraw/zinc/36/52/31/209365231.db2.gz GBPSFEUXHGWLBV-BXUZGUMPSA-N 1 3 343.497 0.480 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355903737 299317750 /nfs/dbraw/zinc/31/77/50/299317750.db2.gz VJNKGXYHIQCYDI-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419979696 209267362 /nfs/dbraw/zinc/26/73/62/209267362.db2.gz PWYNEGTVUKWHIS-OAHLLOKOSA-N 1 3 326.485 0.539 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419979695 209267390 /nfs/dbraw/zinc/26/73/90/209267390.db2.gz PWYNEGTVUKWHIS-HNNXBMFYSA-N 1 3 326.485 0.539 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000419899713 209243767 /nfs/dbraw/zinc/24/37/67/209243767.db2.gz RKMHNMJJPASWGI-UHFFFAOYSA-N 1 3 340.855 0.566 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000419895324 209242107 /nfs/dbraw/zinc/24/21/07/209242107.db2.gz SDVIMJRVZUUHKM-UHFFFAOYSA-N 1 3 346.475 0.835 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419861208 209228895 /nfs/dbraw/zinc/22/88/95/209228895.db2.gz BRZGPLPYONGWQZ-UHFFFAOYSA-N 1 3 326.485 0.953 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCC[NH3+])CCN1Cc1ccccc1 ZINC000419832038 209216784 /nfs/dbraw/zinc/21/67/84/209216784.db2.gz ITPOQKQSNRACCI-DOTOQJQBSA-N 1 3 346.475 0.963 20 0 ECADHO CC(C)C[C@@H](CNC(=O)C(=O)NCC[NH3+])N[C@@H](C)c1ccccc1 ZINC000419831198 209216694 /nfs/dbraw/zinc/21/66/94/209216694.db2.gz HBTJAPHKOPJQSI-HOCLYGCPSA-N 1 3 334.464 0.943 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(CCN)Cc1ccccc1)C[NH+]1CCCC1 ZINC000419825470 209215032 /nfs/dbraw/zinc/21/50/32/209215032.db2.gz NIYKRIBIQZRIGC-MRXNPFEDSA-N 1 3 346.475 0.822 20 0 ECADHO CCN(C(=O)C(=O)NCC[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000419823937 209214387 /nfs/dbraw/zinc/21/43/87/209214387.db2.gz YXKHPZPNUQWICP-HOCLYGCPSA-N 1 3 332.448 0.745 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1=O ZINC000356250407 299370362 /nfs/dbraw/zinc/37/03/62/299370362.db2.gz FPAOUBFOHUTYLZ-CRAIPNDOSA-N 1 3 336.480 0.341 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1=O ZINC000356250407 299370364 /nfs/dbraw/zinc/37/03/64/299370364.db2.gz FPAOUBFOHUTYLZ-CRAIPNDOSA-N 1 3 336.480 0.341 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419777035 209203270 /nfs/dbraw/zinc/20/32/70/209203270.db2.gz MMNQMAHOTLFHQN-UONOGXRCSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000419731836 209191803 /nfs/dbraw/zinc/19/18/03/209191803.db2.gz RNJIMYKGANPUQH-KGLIPLIRSA-N 1 3 332.448 0.792 20 0 ECADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000419731839 209191118 /nfs/dbraw/zinc/19/11/18/209191118.db2.gz RNJIMYKGANPUQH-UONOGXRCSA-N 1 3 332.448 0.792 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CCC(C)CC1 ZINC000356445775 299390436 /nfs/dbraw/zinc/39/04/36/299390436.db2.gz GDXMGLWNKYXFEW-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000356468820 299392329 /nfs/dbraw/zinc/39/23/29/299392329.db2.gz ZJTRRCBYELXMPL-CABCVRRESA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000356468820 299392332 /nfs/dbraw/zinc/39/23/32/299392332.db2.gz ZJTRRCBYELXMPL-CABCVRRESA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419703908 209179073 /nfs/dbraw/zinc/17/90/73/209179073.db2.gz XFBFCGOSSACBGR-ARFHVFGLSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000419697219 209176046 /nfs/dbraw/zinc/17/60/46/209176046.db2.gz QJLPHXRHZGCJGT-DZGCQCFKSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419657312 209160407 /nfs/dbraw/zinc/16/04/07/209160407.db2.gz JPDMMIICVYSUPO-PVAVHDDUSA-N 1 3 344.459 0.634 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000419635520 209151924 /nfs/dbraw/zinc/15/19/24/209151924.db2.gz GBBFXCMCCSNLKE-UHFFFAOYSA-N 1 3 346.475 0.822 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420030751 284595194 /nfs/dbraw/zinc/59/51/94/284595194.db2.gz GUWWQBFCAMMAKP-STQMWFEESA-N 1 3 328.457 0.064 20 0 ECADHO C[C@H]1C[C@H](CCNC(=O)C(=O)NCCN)C[N@@H+]1Cc1ccccc1 ZINC000419483488 209107082 /nfs/dbraw/zinc/10/70/82/209107082.db2.gz ZZRKHNCXLIREFT-HOCLYGCPSA-N 1 3 332.448 0.478 20 0 ECADHO C[C@H]1C[C@H](CCNC(=O)C(=O)NCCN)C[N@H+]1Cc1ccccc1 ZINC000419483488 209107084 /nfs/dbraw/zinc/10/70/84/209107084.db2.gz ZZRKHNCXLIREFT-HOCLYGCPSA-N 1 3 332.448 0.478 20 0 ECADHO CN(C)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000448601490 211253866 /nfs/dbraw/zinc/25/38/66/211253866.db2.gz UKKHUNZSINFXEY-KRWDZBQOSA-N 1 3 338.496 0.336 20 0 ECADHO CN(C)CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000448601490 211253868 /nfs/dbraw/zinc/25/38/68/211253868.db2.gz UKKHUNZSINFXEY-KRWDZBQOSA-N 1 3 338.496 0.336 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)CN[C@H](CO)[C@H]1CCCO1)c1ccccc1 ZINC000447901153 211213125 /nfs/dbraw/zinc/21/31/25/211213125.db2.gz BDMOTQKFHDYIML-BRWVUGGUSA-N 1 3 335.448 0.535 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000446258456 211135923 /nfs/dbraw/zinc/13/59/23/211135923.db2.gz LRQRLLNTERLYQD-HDMKZQKVSA-N 1 3 339.480 0.482 20 0 ECADHO CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CCN(CCn2cccn2)CC1 ZINC000444272705 211064792 /nfs/dbraw/zinc/06/47/92/211064792.db2.gz YLJVBMMVIQSUSP-FUHWJXTLSA-N 1 3 331.464 0.806 20 0 ECADHO C[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)CN1CCCC1 ZINC000357178420 299532071 /nfs/dbraw/zinc/53/20/71/299532071.db2.gz RSQMKXJXDFOBMM-CYBMUJFWSA-N 1 3 331.482 0.001 20 0 ECADHO CC[NH+]1CCC(NC(=O)CNC(C)(C)CN2CCOCC2)CC1 ZINC000412002212 208185536 /nfs/dbraw/zinc/18/55/36/208185536.db2.gz KAWGJJHFQVJTNR-UHFFFAOYSA-N 1 3 326.485 0.287 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000429517612 210323043 /nfs/dbraw/zinc/32/30/43/210323043.db2.gz SASYETBKSGMHSP-CJNGLKHVSA-N 1 3 332.448 0.733 20 0 ECADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000429766832 210332451 /nfs/dbraw/zinc/33/24/51/210332451.db2.gz AOUDKRJHGHSRHI-IKGGRYGDSA-N 1 3 346.475 0.910 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418825540 208863664 /nfs/dbraw/zinc/86/36/64/208863664.db2.gz BVBZXHFIWUERQM-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[NH2+]C ZINC000419902511 285283656 /nfs/dbraw/zinc/28/36/56/285283656.db2.gz VVNXFKMGXJZFEI-INIZCTEOSA-N 1 3 347.463 0.230 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000419166212 209008769 /nfs/dbraw/zinc/00/87/69/209008769.db2.gz HHHLCMIUCPQPEU-BZUAXINKSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000419166212 209008774 /nfs/dbraw/zinc/00/87/74/209008774.db2.gz HHHLCMIUCPQPEU-BZUAXINKSA-N 1 3 338.496 0.809 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419173825 209011759 /nfs/dbraw/zinc/01/17/59/209011759.db2.gz UOZZGECYVIFBEP-CVEARBPZSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000419172058 209012500 /nfs/dbraw/zinc/01/25/00/209012500.db2.gz QJLLQDOGSPVXLS-ZBFHGGJFSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000419172058 209012504 /nfs/dbraw/zinc/01/25/04/209012504.db2.gz QJLLQDOGSPVXLS-ZBFHGGJFSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H]1CN)[N@H+](C)Cc1ccccc1 ZINC000419187766 209017835 /nfs/dbraw/zinc/01/78/35/209017835.db2.gz GHEXMOIGVBCBKN-DOTOQJQBSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H]1CN)[N@@H+](C)Cc1ccccc1 ZINC000419187766 209017838 /nfs/dbraw/zinc/01/78/38/209017838.db2.gz GHEXMOIGVBCBKN-DOTOQJQBSA-N 1 3 346.475 0.963 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419265373 209044749 /nfs/dbraw/zinc/04/47/49/209044749.db2.gz DNHJWCNQGCERLR-QGZVFWFLSA-N 1 3 344.459 0.848 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000419236112 209036875 /nfs/dbraw/zinc/03/68/75/209036875.db2.gz NKYAGKVWXNUVKI-HNNXBMFYSA-N 1 3 326.485 0.857 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419372699 209071372 /nfs/dbraw/zinc/07/13/72/209071372.db2.gz LFBUHDOAUXHKOJ-CQSZACIVSA-N 1 3 346.475 0.316 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)C1 ZINC000419370825 209071832 /nfs/dbraw/zinc/07/18/32/209071832.db2.gz KEUQBRXCZNEUMF-JKSUJKDBSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000358519009 299731274 /nfs/dbraw/zinc/73/12/74/299731274.db2.gz FNLRXFKSOWPXEE-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000333701427 297148047 /nfs/dbraw/zinc/14/80/47/297148047.db2.gz DJWNUTXEWNCTTE-CABCVRRESA-N 1 3 325.501 0.700 20 0 ECADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)[C@@H](C)C1 ZINC000247053105 165152154 /nfs/dbraw/zinc/15/21/54/165152154.db2.gz NJAXCSVTOCWUOY-XJKSGUPXSA-N 1 3 332.448 0.722 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN2CCNC[C@@H]2c2nccn2C)CC1 ZINC000261815253 165247517 /nfs/dbraw/zinc/24/75/17/165247517.db2.gz TUAPATTVXDJELW-MRXNPFEDSA-N 1 3 348.495 0.355 20 0 ECADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CNC2 ZINC000261815003 165247522 /nfs/dbraw/zinc/24/75/22/165247522.db2.gz JXOWLFGSEFAKFW-CQSZACIVSA-N 1 3 342.365 0.856 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000261837140 165251916 /nfs/dbraw/zinc/25/19/16/165251916.db2.gz IMEUNYDVQZYSDF-JLJPHGGASA-N 1 3 326.485 0.713 20 0 ECADHO C[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)N1CCC[C@@H](C)C1 ZINC000262212399 165308973 /nfs/dbraw/zinc/30/89/73/165308973.db2.gz IXHSSDKNLKCKCY-SRABZTEZSA-N 1 3 333.480 0.960 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262281380 165322305 /nfs/dbraw/zinc/32/23/05/165322305.db2.gz NXUCETCXWZEKDN-WTTBNOFXSA-N 1 3 333.480 0.960 20 0 ECADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262339795 165332977 /nfs/dbraw/zinc/33/29/77/165332977.db2.gz FZYHFCDDYJKBIK-MSOLQXFVSA-N 1 3 346.475 0.033 20 0 ECADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262400622 165346277 /nfs/dbraw/zinc/34/62/77/165346277.db2.gz OCSLNDKRKNXHDX-KBPBESRZSA-N 1 3 327.494 0.577 20 0 ECADHO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419404366 209083522 /nfs/dbraw/zinc/08/35/22/209083522.db2.gz GBVYYIKFKNFMLB-UONOGXRCSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)CN1CCN(C)CC1 ZINC000085408274 263143256 /nfs/dbraw/zinc/14/32/56/263143256.db2.gz AIWRDMQBBCQVGG-ZACQAIPSSA-N 1 3 339.528 0.852 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)CN1CCN(C)CC1 ZINC000085408274 263143257 /nfs/dbraw/zinc/14/32/57/263143257.db2.gz AIWRDMQBBCQVGG-ZACQAIPSSA-N 1 3 339.528 0.852 20 0 ECADHO C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(C)(C)C[NH+](C)C ZINC000085290697 263143351 /nfs/dbraw/zinc/14/33/51/263143351.db2.gz AGPAJFDCEJHICJ-KBPBESRZSA-N 1 3 326.485 0.489 20 0 ECADHO CC[N@H+](CCCC1CCN([C@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC000179598819 263156186 /nfs/dbraw/zinc/15/61/86/263156186.db2.gz IQFLTNUOGMSBIU-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO CC[N@@H+](CCCC1CCN([C@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC000179598819 263156187 /nfs/dbraw/zinc/15/61/87/263156187.db2.gz IQFLTNUOGMSBIU-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC000190004972 263163445 /nfs/dbraw/zinc/16/34/45/263163445.db2.gz NRWQYTBWVQQJBN-UKRRQHHQSA-N 1 3 340.468 0.701 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415870596 273797569 /nfs/dbraw/zinc/79/75/69/273797569.db2.gz PDJHGYXAGQVAMS-HZPDHXFCSA-N 1 3 344.459 0.797 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000340207466 437596451 /nfs/dbraw/zinc/59/64/51/437596451.db2.gz VWGSOSVLJSGLNK-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000340207466 437596455 /nfs/dbraw/zinc/59/64/55/437596455.db2.gz VWGSOSVLJSGLNK-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000418958193 277028651 /nfs/dbraw/zinc/02/86/51/277028651.db2.gz FRZKSWKSISOLLB-RDJZCZTQSA-N 1 3 346.475 0.691 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000419417058 277295468 /nfs/dbraw/zinc/29/54/68/277295468.db2.gz HQWNGNRZQKNQSS-SJORKVTESA-N 1 3 344.459 0.760 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418971057 278197075 /nfs/dbraw/zinc/19/70/75/278197075.db2.gz XDRNSLAFYBJFDL-CVEARBPZSA-N 1 3 346.475 0.739 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419377615 280239831 /nfs/dbraw/zinc/23/98/31/280239831.db2.gz UYSJIHPYSBEKDG-HOTGVXAUSA-N 1 3 338.496 0.727 20 0 ECADHO CC1CCN([C@H](CNC(=O)C(=O)N(C)CC[NH3+])c2ccccc2)CC1 ZINC000418956761 281835716 /nfs/dbraw/zinc/83/57/16/281835716.db2.gz ZCZYYUSNZGOVAO-QGZVFWFLSA-N 1 3 346.475 0.993 20 0 ECADHO C[C@H](CNC(=O)[C@H]1C[C@@H](C)C[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000360476496 437610719 /nfs/dbraw/zinc/61/07/19/437610719.db2.gz HCQFZPVMHINPNQ-QMHWVQJVSA-N 1 3 340.512 0.781 20 0 ECADHO C[C@H](CNC(=O)[C@H]1C[C@@H](C)C[C@@H]1C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000360476496 437610724 /nfs/dbraw/zinc/61/07/24/437610724.db2.gz HCQFZPVMHINPNQ-QMHWVQJVSA-N 1 3 340.512 0.781 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419887261 289134751 /nfs/dbraw/zinc/13/47/51/289134751.db2.gz DFHYDJUDOIFYMB-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423498987 290383787 /nfs/dbraw/zinc/38/37/87/290383787.db2.gz IWKSFEDLVGISIS-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423498987 290383789 /nfs/dbraw/zinc/38/37/89/290383789.db2.gz IWKSFEDLVGISIS-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000332087167 297000107 /nfs/dbraw/zinc/00/01/07/297000107.db2.gz IAWXVOXLZODBEM-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340297803 437620547 /nfs/dbraw/zinc/62/05/47/437620547.db2.gz LLWVURPRBVFEIR-GJZGRUSLSA-N 1 3 326.485 0.491 20 0 ECADHO COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414730406 295393781 /nfs/dbraw/zinc/39/37/81/295393781.db2.gz GJNBGBNCLQAJAP-RDJZCZTQSA-N 1 3 346.475 0.839 20 0 ECADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423148266 295415059 /nfs/dbraw/zinc/41/50/59/295415059.db2.gz FPFIBIKXVPAOOY-QAPCUYQASA-N 1 3 334.464 0.285 20 0 ECADHO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CCN(CC2CC2)CC1 ZINC000333192753 297117220 /nfs/dbraw/zinc/11/72/20/297117220.db2.gz AGVGIQHAXYOKEO-UHFFFAOYSA-N 1 3 349.523 0.940 20 0 ECADHO O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CCN(CC2CC2)CC1 ZINC000333192753 297117221 /nfs/dbraw/zinc/11/72/21/297117221.db2.gz AGVGIQHAXYOKEO-UHFFFAOYSA-N 1 3 349.523 0.940 20 0 ECADHO CN(C)[C@@]1(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCSC1 ZINC000333299138 297122379 /nfs/dbraw/zinc/12/23/79/297122379.db2.gz ISEWSXYRKDVNFS-GOEBONIOSA-N 1 3 341.525 0.113 20 0 ECADHO C[C@H]1C[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)CC[N@@H+]1C ZINC000333314402 297123455 /nfs/dbraw/zinc/12/34/55/297123455.db2.gz MDHSLKQWCPRKSY-QWHCGFSZSA-N 1 3 333.440 0.490 20 0 ECADHO C[C@H]1C[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)CC[N@H+]1C ZINC000333314402 297123458 /nfs/dbraw/zinc/12/34/58/297123458.db2.gz MDHSLKQWCPRKSY-QWHCGFSZSA-N 1 3 333.440 0.490 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)[C@H]2C1 ZINC000333401446 297130834 /nfs/dbraw/zinc/13/08/34/297130834.db2.gz YTKAAIHTKZMTBU-HIFRSBDPSA-N 1 3 345.451 0.444 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC3CCC([NH+](C)C)CC3)C[C@H]2N)cn1 ZINC000333564476 297142276 /nfs/dbraw/zinc/14/22/76/297142276.db2.gz LMISYQBINUHKGC-SSHXOBKSSA-N 1 3 334.468 0.729 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333890184 297154259 /nfs/dbraw/zinc/15/42/59/297154259.db2.gz YAKVNOSFWBPGDB-HUUCEWRRSA-N 1 3 339.484 0.180 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cccnc1=O ZINC000337589318 297197107 /nfs/dbraw/zinc/19/71/07/297197107.db2.gz VPZDRJDHTHWDSS-OAHLLOKOSA-N 1 3 335.452 0.118 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cccnc1=O ZINC000337589318 297197109 /nfs/dbraw/zinc/19/71/09/297197109.db2.gz VPZDRJDHTHWDSS-OAHLLOKOSA-N 1 3 335.452 0.118 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000339587266 297361826 /nfs/dbraw/zinc/36/18/26/297361826.db2.gz OPLNDWHRPGKLQU-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339644357 297368298 /nfs/dbraw/zinc/36/82/98/297368298.db2.gz LZPRGYMTQZKXHK-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000339755254 297379515 /nfs/dbraw/zinc/37/95/15/297379515.db2.gz WMWHPIRLASOOTA-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340433587 297481662 /nfs/dbraw/zinc/48/16/62/297481662.db2.gz PNSPILQOCFUHKU-MRXNPFEDSA-N 1 3 344.525 0.388 20 0 ECADHO C[C@@H]1[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCCN1C ZINC000345656388 298181265 /nfs/dbraw/zinc/18/12/65/298181265.db2.gz DTEZYQIWQIXDCP-GDBMZVCRSA-N 1 3 325.501 0.794 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345718285 298187293 /nfs/dbraw/zinc/18/72/93/298187293.db2.gz OHDMZQISPSAOIN-RLFYNMQTSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000346530850 298287825 /nfs/dbraw/zinc/28/78/25/298287825.db2.gz DIZDEHQNICMSOE-HYVNUMGLSA-N 1 3 348.491 0.672 20 0 ECADHO Cc1ccc([C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000351539377 298781080 /nfs/dbraw/zinc/78/10/80/298781080.db2.gz MSSLYZFCXRBCPA-CVEARBPZSA-N 1 3 332.448 0.582 20 0 ECADHO CC(C)CC[NH+]1CCC(CNC(=O)CNC(=O)[C@H](N)C(C)C)CC1 ZINC000352097253 298884984 /nfs/dbraw/zinc/88/49/84/298884984.db2.gz PZMCLKHYFUEMCE-QGZVFWFLSA-N 1 3 340.512 0.960 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000353447023 299049662 /nfs/dbraw/zinc/04/96/62/299049662.db2.gz KUSRYUHKZQUSQG-FRRDWIJNSA-N 1 3 336.402 0.893 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000353447023 299049664 /nfs/dbraw/zinc/04/96/64/299049664.db2.gz KUSRYUHKZQUSQG-FRRDWIJNSA-N 1 3 336.402 0.893 20 0 ECADHO C[C@H](CN(C)C)NC(=O)c1cncc(C(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000360184636 299950899 /nfs/dbraw/zinc/95/08/99/299950899.db2.gz MKGBQHNRVMCEJB-CHWSQXEVSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361028312 300054114 /nfs/dbraw/zinc/05/41/14/300054114.db2.gz DXSJTLSJERMRKJ-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361028312 300054116 /nfs/dbraw/zinc/05/41/16/300054116.db2.gz DXSJTLSJERMRKJ-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000362519289 300196055 /nfs/dbraw/zinc/19/60/55/300196055.db2.gz QJOSXHCJGISEOA-HZPDHXFCSA-N 1 3 326.485 0.984 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000362519289 300196058 /nfs/dbraw/zinc/19/60/58/300196058.db2.gz QJOSXHCJGISEOA-HZPDHXFCSA-N 1 3 326.485 0.984 20 0 ECADHO CCN1CCN(CCCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362564544 300199049 /nfs/dbraw/zinc/19/90/49/300199049.db2.gz LTCWWGSCDDOEHG-HNNXBMFYSA-N 1 3 348.495 0.634 20 0 ECADHO C[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)CN1CCN(C)CC1 ZINC000362571523 300200195 /nfs/dbraw/zinc/20/01/95/300200195.db2.gz YUPXCPRNSYJDHG-KBPBESRZSA-N 1 3 334.468 0.100 20 0 ECADHO CCCN1CCN(C2CC[NH+](CCCC(=O)NC(N)=O)CC2)CC1 ZINC000369157955 300711701 /nfs/dbraw/zinc/71/17/01/300711701.db2.gz VOVHXEKKGDPVQN-UHFFFAOYSA-N 1 3 339.484 0.454 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1cncn1 ZINC000074054103 436103151 /nfs/dbraw/zinc/10/31/51/436103151.db2.gz FURDJJOPQZPPFN-OAHLLOKOSA-N 1 3 337.472 0.336 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1cncn1 ZINC000074054103 436103159 /nfs/dbraw/zinc/10/31/59/436103159.db2.gz FURDJJOPQZPPFN-OAHLLOKOSA-N 1 3 337.472 0.336 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[NH+](CC)CC)CC1 ZINC000073416801 436078702 /nfs/dbraw/zinc/07/87/02/436078702.db2.gz GYAKSSOPEKWNDU-INIZCTEOSA-N 1 3 327.517 0.901 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C[NH+]1CCCCC1 ZINC000074225703 436113315 /nfs/dbraw/zinc/11/33/15/436113315.db2.gz SJTFMQQKENBNQW-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000372572523 301009987 /nfs/dbraw/zinc/00/99/87/301009987.db2.gz PBWPPUVTROTCTK-UMVBOHGHSA-N 1 3 347.463 0.675 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000372572523 301009989 /nfs/dbraw/zinc/00/99/89/301009989.db2.gz PBWPPUVTROTCTK-UMVBOHGHSA-N 1 3 347.463 0.675 20 0 ECADHO COC(=O)[C@@H]1CC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377124097 301323153 /nfs/dbraw/zinc/32/31/53/301323153.db2.gz CPGRMRBLYHXPRD-JKSUJKDBSA-N 1 3 337.464 0.860 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000377506012 301355006 /nfs/dbraw/zinc/35/50/06/301355006.db2.gz RYXJKUPPOMQVTL-DZGCQCFKSA-N 1 3 337.464 0.990 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000377506012 301355008 /nfs/dbraw/zinc/35/50/08/301355008.db2.gz RYXJKUPPOMQVTL-DZGCQCFKSA-N 1 3 337.464 0.990 20 0 ECADHO CCN1CCO[C@H](C(=O)NCC2CCN(CC[NH+](C)C)CC2)C1 ZINC000081397024 436345099 /nfs/dbraw/zinc/34/50/99/436345099.db2.gz PUNBNXHDIGWGQA-INIZCTEOSA-N 1 3 326.485 0.097 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1=O ZINC000081410132 436345169 /nfs/dbraw/zinc/34/51/69/436345169.db2.gz QFSAKDBJILPZLP-HUUCEWRRSA-N 1 3 340.512 0.879 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(=O)NC3CC3)CC2)CC1 ZINC000051759300 436495896 /nfs/dbraw/zinc/49/58/96/436495896.db2.gz IGVRRMZVQHMOFM-UHFFFAOYSA-N 1 3 337.468 0.123 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc2c(c1)OCCO2 ZINC000530881201 302033280 /nfs/dbraw/zinc/03/32/80/302033280.db2.gz BGTJKNLEXIXQMH-UHFFFAOYSA-N 1 3 335.448 0.952 20 0 ECADHO COC(=O)c1cccc(CC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000535514625 302120792 /nfs/dbraw/zinc/12/07/92/302120792.db2.gz SDBUICQNIYLOBQ-UHFFFAOYSA-N 1 3 335.448 0.968 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269288056 436653377 /nfs/dbraw/zinc/65/33/77/436653377.db2.gz JMWYGTBHHNSDRI-SFHVURJKSA-N 1 3 346.475 0.429 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000154043967 436769422 /nfs/dbraw/zinc/76/94/22/436769422.db2.gz WKVGVUVTXAFGKY-MRXNPFEDSA-N 1 3 325.501 0.750 20 0 ECADHO CCN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000158356144 436844723 /nfs/dbraw/zinc/84/47/23/436844723.db2.gz QPIWNMQWYXDGGG-CQSZACIVSA-N 1 3 339.484 0.357 20 0 ECADHO CCN1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000158356144 436844727 /nfs/dbraw/zinc/84/47/27/436844727.db2.gz QPIWNMQWYXDGGG-CQSZACIVSA-N 1 3 339.484 0.357 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261977465 436899238 /nfs/dbraw/zinc/89/92/38/436899238.db2.gz LWFXBUPIWPJTEV-QWHCGFSZSA-N 1 3 336.402 0.813 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)CN(CCO)C1CCOCC1)c1ccccc1 ZINC000275647740 436995550 /nfs/dbraw/zinc/99/55/50/436995550.db2.gz WUUBAGRYDOHTEF-GOSISDBHSA-N 1 3 349.475 0.879 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000286525505 437096718 /nfs/dbraw/zinc/09/67/18/437096718.db2.gz PNNDXBOBVSAZID-AWEZNQCLSA-N 1 3 338.452 0.626 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000331564822 437120988 /nfs/dbraw/zinc/12/09/88/437120988.db2.gz STBBQBQYDWWSKK-ARFHVFGLSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000331564822 437120994 /nfs/dbraw/zinc/12/09/94/437120994.db2.gz STBBQBQYDWWSKK-ARFHVFGLSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)N1CCN(C)CC1 ZINC000324649053 437229531 /nfs/dbraw/zinc/22/95/31/437229531.db2.gz AQOMPFJEMXUHRM-ZWKOTPCHSA-N 1 3 332.492 0.945 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000178873164 437235014 /nfs/dbraw/zinc/23/50/14/437235014.db2.gz LGZHCBNAPZKXJP-GOSISDBHSA-N 1 3 334.439 0.752 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000337262450 437346232 /nfs/dbraw/zinc/34/62/32/437346232.db2.gz YXCSKVDLKOVQRI-INIZCTEOSA-N 1 3 346.541 0.403 20 0 ECADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000337262450 437346237 /nfs/dbraw/zinc/34/62/37/437346237.db2.gz YXCSKVDLKOVQRI-INIZCTEOSA-N 1 3 346.541 0.403 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000269264598 437477033 /nfs/dbraw/zinc/47/70/33/437477033.db2.gz YGPHGLMBNKGFIE-IAGOWNOFSA-N 1 3 346.475 0.615 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000269264598 437477034 /nfs/dbraw/zinc/47/70/34/437477034.db2.gz YGPHGLMBNKGFIE-IAGOWNOFSA-N 1 3 346.475 0.615 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000185493754 437441355 /nfs/dbraw/zinc/44/13/55/437441355.db2.gz AJSICGLBSTXEQH-OAHLLOKOSA-N 1 3 337.512 0.938 20 0 ECADHO CNC(=O)C[C@H](C)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268968099 437444153 /nfs/dbraw/zinc/44/41/53/437444153.db2.gz YUHZNFRYPXLEGM-WMLDXEAASA-N 1 3 346.475 0.998 20 0 ECADHO CNC(=O)C[C@H](C)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268968099 437444154 /nfs/dbraw/zinc/44/41/54/437444154.db2.gz YUHZNFRYPXLEGM-WMLDXEAASA-N 1 3 346.475 0.998 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000360182845 437548340 /nfs/dbraw/zinc/54/83/40/437548340.db2.gz BGIJQIBYIDROST-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000360182845 437548343 /nfs/dbraw/zinc/54/83/43/437548343.db2.gz BGIJQIBYIDROST-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000343298460 437550348 /nfs/dbraw/zinc/55/03/48/437550348.db2.gz GBXRXRHTTSKTAB-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000343298460 437550356 /nfs/dbraw/zinc/55/03/56/437550356.db2.gz GBXRXRHTTSKTAB-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343453654 437587649 /nfs/dbraw/zinc/58/76/49/437587649.db2.gz UVYGDMCAUXRJEK-RYRKJORJSA-N 1 3 349.523 0.891 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340479981 437662270 /nfs/dbraw/zinc/66/22/70/437662270.db2.gz JAIYOHFPIRCFSF-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340479981 437662276 /nfs/dbraw/zinc/66/22/76/437662276.db2.gz JAIYOHFPIRCFSF-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H](CO)C1CCOCC1)c1ccccc1 ZINC000355048677 437666939 /nfs/dbraw/zinc/66/69/39/437666939.db2.gz FEKPONNVVOMNOQ-MSOLQXFVSA-N 1 3 349.475 0.783 20 0 ECADHO CS[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@H]1[NH+]1CCCC1 ZINC000361623819 437675851 /nfs/dbraw/zinc/67/58/51/437675851.db2.gz OUSVLBARCIZOKQ-OWCLPIDISA-N 1 3 338.521 0.415 20 0 ECADHO CS[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)C[C@@H]1[NH+]1CCCC1 ZINC000361623816 437676525 /nfs/dbraw/zinc/67/65/25/437676525.db2.gz OUSVLBARCIZOKQ-ARFHVFGLSA-N 1 3 338.521 0.415 20 0 ECADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000415264445 437769687 /nfs/dbraw/zinc/76/96/87/437769687.db2.gz OLXSQITWNZLGDE-GOEBONIOSA-N 1 3 330.432 0.897 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1)C[NH+]1CCCC1 ZINC000340783321 437731003 /nfs/dbraw/zinc/73/10/03/437731003.db2.gz WCKBDDLQNVOWIV-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340787460 437733998 /nfs/dbraw/zinc/73/39/98/437733998.db2.gz AFRMLIIBVGDYGL-GVDBMIGSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340787460 437734001 /nfs/dbraw/zinc/73/40/01/437734001.db2.gz AFRMLIIBVGDYGL-GVDBMIGSSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1=CCN(C)CC1 ZINC000340796054 437737492 /nfs/dbraw/zinc/73/74/92/437737492.db2.gz JWULYYKCLBLJCK-CWRNSKLLSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1=CCN(C)CC1 ZINC000340796054 437737494 /nfs/dbraw/zinc/73/74/94/437737494.db2.gz JWULYYKCLBLJCK-CWRNSKLLSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C[NH+]1CCCC1 ZINC000340801845 437739257 /nfs/dbraw/zinc/73/92/57/437739257.db2.gz RSDCSPZVANLYGU-GJZGRUSLSA-N 1 3 336.480 0.601 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000356542880 437783664 /nfs/dbraw/zinc/78/36/64/437783664.db2.gz GNCOUCLAGIJPCW-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000356542880 437783668 /nfs/dbraw/zinc/78/36/68/437783668.db2.gz GNCOUCLAGIJPCW-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CCO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341087850 437790584 /nfs/dbraw/zinc/79/05/84/437790584.db2.gz PXBWSCGKHUHDNM-CQSZACIVSA-N 1 3 326.485 0.863 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000423694497 437806470 /nfs/dbraw/zinc/80/64/70/437806470.db2.gz UIOZXOUHPHNESO-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000341162936 437806752 /nfs/dbraw/zinc/80/67/52/437806752.db2.gz LXTRYGGOLRLUOO-ZIAGYGMSSA-N 1 3 337.468 0.110 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000341162936 437806759 /nfs/dbraw/zinc/80/67/59/437806759.db2.gz LXTRYGGOLRLUOO-ZIAGYGMSSA-N 1 3 337.468 0.110 20 0 ECADHO C[NH+](C)CCn1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000364210472 437813366 /nfs/dbraw/zinc/81/33/66/437813366.db2.gz DZIVYOWMFPLCPR-HACGYAERSA-N 1 3 335.452 0.916 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000365183994 437871153 /nfs/dbraw/zinc/87/11/53/437871153.db2.gz YYWIZPVTCQDCRY-OLZOCXBDSA-N 1 3 336.484 0.470 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000415863198 437874130 /nfs/dbraw/zinc/87/41/30/437874130.db2.gz GMSYSEOQABWBTJ-OAHLLOKOSA-N 1 3 348.447 0.824 20 0 ECADHO N[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000424013696 437877986 /nfs/dbraw/zinc/87/79/86/437877986.db2.gz RSKTWAURNOTTNP-ARFHVFGLSA-N 1 3 348.422 0.337 20 0 ECADHO CN1CCC(NC(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000341370191 437837815 /nfs/dbraw/zinc/83/78/15/437837815.db2.gz ABTGKASNTACDQJ-UHFFFAOYSA-N 1 3 335.452 0.915 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@H]3CSCC[NH2+]3)C2)CC1 ZINC000370787804 437839799 /nfs/dbraw/zinc/83/97/99/437839799.db2.gz OMKGFOIAYOJOQN-JKSUJKDBSA-N 1 3 340.537 0.708 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)ccc1OCCN(C)C ZINC000415790470 437860298 /nfs/dbraw/zinc/86/02/98/437860298.db2.gz PFZGISCOUKSAMV-UHFFFAOYSA-N 1 3 348.447 0.822 20 0 ECADHO CNC(=O)C[C@H](C)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347259353 437862945 /nfs/dbraw/zinc/86/29/45/437862945.db2.gz DECBSHCRPMBPKI-HOCLYGCPSA-N 1 3 334.464 0.390 20 0 ECADHO N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000424329886 437920681 /nfs/dbraw/zinc/92/06/81/437920681.db2.gz HBCOFPUWIRSAHJ-HZPDHXFCSA-N 1 3 331.464 0.980 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)N(C)C1CC1 ZINC000341938620 437927804 /nfs/dbraw/zinc/92/78/04/437927804.db2.gz DPVLFMSRQQLKOP-IJEWVQPXSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)N(C)C1CC1 ZINC000341938620 437927808 /nfs/dbraw/zinc/92/78/08/437927808.db2.gz DPVLFMSRQQLKOP-IJEWVQPXSA-N 1 3 336.480 0.528 20 0 ECADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCC(N)=O ZINC000365566277 437932196 /nfs/dbraw/zinc/93/21/96/437932196.db2.gz LTRNTMDRPLLMBY-IAGOWNOFSA-N 1 3 346.475 0.950 20 0 ECADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCC(N)=O ZINC000365566277 437932203 /nfs/dbraw/zinc/93/22/03/437932203.db2.gz LTRNTMDRPLLMBY-IAGOWNOFSA-N 1 3 346.475 0.950 20 0 ECADHO C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCC(N)=O)CCN1Cc1ccccc1 ZINC000365562017 437932851 /nfs/dbraw/zinc/93/28/51/437932851.db2.gz BVHAQLWPVBPTHR-GDBMZVCRSA-N 1 3 332.448 0.702 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N3CCO[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000424048350 437883324 /nfs/dbraw/zinc/88/33/24/437883324.db2.gz ZHFBQHJCLWJWGN-ZWKOTPCHSA-N 1 3 344.459 0.641 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424154390 437895245 /nfs/dbraw/zinc/89/52/45/437895245.db2.gz LTPCMGTVQSYWCW-DZGCQCFKSA-N 1 3 332.452 0.949 20 0 ECADHO [NH3+]C1(CNC(=O)[C@@H]2COCCN2)CCN(Cc2ccccc2)CC1 ZINC000424188208 437901566 /nfs/dbraw/zinc/90/15/66/437901566.db2.gz BQWZQCHDBKNEHH-INIZCTEOSA-N 1 3 332.448 0.085 20 0 ECADHO CCN1CC[NH+](CCCCNC(=O)[C@H](C)CN2CCOCC2)CC1 ZINC000347723481 437943198 /nfs/dbraw/zinc/94/31/98/437943198.db2.gz MBJHBUJKGWEEEO-QGZVFWFLSA-N 1 3 340.512 0.489 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000357581265 438017259 /nfs/dbraw/zinc/01/72/59/438017259.db2.gz RJCNXJPFEOUECA-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000357581265 438017263 /nfs/dbraw/zinc/01/72/63/438017263.db2.gz RJCNXJPFEOUECA-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417438063 438050738 /nfs/dbraw/zinc/05/07/38/438050738.db2.gz IODSGCACZVCTJV-HOTGVXAUSA-N 1 3 342.484 0.493 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000357625740 438029692 /nfs/dbraw/zinc/02/96/92/438029692.db2.gz JJSUDLWIDUJFTH-HOCLYGCPSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417285294 438037647 /nfs/dbraw/zinc/03/76/47/438037647.db2.gz LHBLLFINQRPYQX-KGLIPLIRSA-N 1 3 325.457 0.110 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCN2CC)CC1 ZINC000357680353 438040978 /nfs/dbraw/zinc/04/09/78/438040978.db2.gz FGHDWEJKNGYQQQ-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417340566 438041565 /nfs/dbraw/zinc/04/15/65/438041565.db2.gz ANUPPVIWQKPEDU-INIZCTEOSA-N 1 3 349.479 0.330 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)CN1CCN(C)CC1 ZINC000366284699 438046484 /nfs/dbraw/zinc/04/64/84/438046484.db2.gz RCWCSOICPSRJOF-WMZOPIPTSA-N 1 3 337.512 0.607 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)CN1CCN(C)CC1 ZINC000366284699 438046489 /nfs/dbraw/zinc/04/64/89/438046489.db2.gz RCWCSOICPSRJOF-WMZOPIPTSA-N 1 3 337.512 0.607 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417425871 438049354 /nfs/dbraw/zinc/04/93/54/438049354.db2.gz FHMNUGKZVHJTRK-CABCVRRESA-N 1 3 339.484 0.323 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348007674 437995979 /nfs/dbraw/zinc/99/59/79/437995979.db2.gz WITLUHHURIKZQL-INIZCTEOSA-N 1 3 326.485 0.938 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348007674 437995984 /nfs/dbraw/zinc/99/59/84/437995984.db2.gz WITLUHHURIKZQL-INIZCTEOSA-N 1 3 326.485 0.938 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000416884954 437999546 /nfs/dbraw/zinc/99/95/46/437999546.db2.gz LALDKJUWOIOHSL-SFHVURJKSA-N 1 3 345.491 0.937 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)CC1 ZINC000342341037 438003574 /nfs/dbraw/zinc/00/35/74/438003574.db2.gz AOYSFHMXQILNLB-NXHRZFHOSA-N 1 3 349.523 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)C2)CC1 ZINC000342341037 438003578 /nfs/dbraw/zinc/00/35/78/438003578.db2.gz AOYSFHMXQILNLB-NXHRZFHOSA-N 1 3 349.523 0.891 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CCN1C ZINC000348022281 438003582 /nfs/dbraw/zinc/00/35/82/438003582.db2.gz RGAIXYHCPVJMAW-QRNKSROTSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H]1CCN(C(=O)NC2CCN(CCN(C)C)CC2)C[C@H]1C[NH3+] ZINC000416980423 438010765 /nfs/dbraw/zinc/01/07/65/438010765.db2.gz UEKIYPPANQQJJX-LSDHHAIUSA-N 1 3 325.501 0.639 20 0 ECADHO C[C@@H]1CCN(C(=O)NC2CCN(CCN(C)C)CC2)C[C@@H]1C[NH3+] ZINC000416980418 438010784 /nfs/dbraw/zinc/01/07/84/438010784.db2.gz UEKIYPPANQQJJX-CABCVRRESA-N 1 3 325.501 0.639 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C1=CCN(C)CC1 ZINC000348760068 438092988 /nfs/dbraw/zinc/09/29/88/438092988.db2.gz FCGYMMLUGZWGEH-CABCVRRESA-N 1 3 336.480 0.553 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C1=CCN(C)CC1 ZINC000348760068 438092994 /nfs/dbraw/zinc/09/29/94/438092994.db2.gz FCGYMMLUGZWGEH-CABCVRRESA-N 1 3 336.480 0.553 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417989758 438098294 /nfs/dbraw/zinc/09/82/94/438098294.db2.gz JPDCFIIJDHQTPP-WMLDXEAASA-N 1 3 334.464 0.908 20 0 ECADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[NH+](C)C ZINC000342998159 438100540 /nfs/dbraw/zinc/10/05/40/438100540.db2.gz GPNJRXGAPBWGOS-BTFYYFJDSA-N 1 3 338.496 0.772 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000417473510 438053859 /nfs/dbraw/zinc/05/38/59/438053859.db2.gz LCJDIWSQIKXCQH-MRXNPFEDSA-N 1 3 347.463 0.515 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000417752283 438073360 /nfs/dbraw/zinc/07/33/60/438073360.db2.gz QJQNBOODLRJTGA-MRXNPFEDSA-N 1 3 339.528 0.949 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000430612415 438117160 /nfs/dbraw/zinc/11/71/60/438117160.db2.gz RFKDJMXTRORCQO-CYBMUJFWSA-N 1 3 343.431 0.665 20 0 ECADHO CN(C)CCOc1cnccc1CNC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418199006 438117205 /nfs/dbraw/zinc/11/72/05/438117205.db2.gz WMCVUJDCFWVIBJ-ZFWWWQNUSA-N 1 3 335.452 0.949 20 0 ECADHO C[NH+](C)CCOc1cnccc1CNC(=O)N1CCNC(C)(C)C1 ZINC000418187861 438117719 /nfs/dbraw/zinc/11/77/19/438117719.db2.gz FNNOEJXPVWECNA-UHFFFAOYSA-N 1 3 335.452 0.915 20 0 ECADHO O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1NCCc2ccccc21 ZINC000418285467 438124599 /nfs/dbraw/zinc/12/45/99/438124599.db2.gz FTAPUPMNPGHRJL-KRWDZBQOSA-N 1 3 331.464 0.468 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC[NH2+]C2CC2)CCN1C1CCN(C)CC1 ZINC000418299554 438127061 /nfs/dbraw/zinc/12/70/61/438127061.db2.gz LHOBILZVRLOOME-OAHLLOKOSA-N 1 3 337.512 0.938 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000430893523 438128846 /nfs/dbraw/zinc/12/88/46/438128846.db2.gz JSBHKLFKSPKPQJ-HZPDHXFCSA-N 1 3 332.448 0.260 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000430893523 438128851 /nfs/dbraw/zinc/12/88/51/438128851.db2.gz JSBHKLFKSPKPQJ-HZPDHXFCSA-N 1 3 332.448 0.260 20 0 ECADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430923171 438129310 /nfs/dbraw/zinc/12/93/10/438129310.db2.gz CNPIQSATFKYIMA-CABCVRRESA-N 1 3 346.479 0.573 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418341000 438134350 /nfs/dbraw/zinc/13/43/50/438134350.db2.gz GYQWOKYGMLEPRB-HOTGVXAUSA-N 1 3 326.485 0.768 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)C(=O)NCCN(C)C ZINC000418465089 438149488 /nfs/dbraw/zinc/14/94/88/438149488.db2.gz NDTIJPNYDOMZFJ-KBPBESRZSA-N 1 3 327.473 0.115 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418798360 438191729 /nfs/dbraw/zinc/19/17/29/438191729.db2.gz VJZROMRMBHDMTH-HUUCEWRRSA-N 1 3 328.457 0.117 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418805530 438194276 /nfs/dbraw/zinc/19/42/76/438194276.db2.gz BDORXFMEBNQYFE-VQIMIIECSA-N 1 3 344.459 0.635 20 0 ECADHO COC[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)OC ZINC000358101823 438150725 /nfs/dbraw/zinc/15/07/25/438150725.db2.gz RKUABQDHNUXGCT-MRXNPFEDSA-N 1 3 342.484 0.506 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358100096 438151012 /nfs/dbraw/zinc/15/10/12/438151012.db2.gz RYQFYZGHVICNFQ-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358100096 438151017 /nfs/dbraw/zinc/15/10/17/438151017.db2.gz RYQFYZGHVICNFQ-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO [NH3+]C1(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CCC1 ZINC000418529302 438156980 /nfs/dbraw/zinc/15/69/80/438156980.db2.gz SUMSNWAMAIOIBT-SFHVURJKSA-N 1 3 332.448 0.804 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000358117611 438157901 /nfs/dbraw/zinc/15/79/01/438157901.db2.gz XKVUIECMFLWEHR-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358117611 438157905 /nfs/dbraw/zinc/15/79/05/438157905.db2.gz XKVUIECMFLWEHR-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418854014 438217831 /nfs/dbraw/zinc/21/78/31/438217831.db2.gz SWPSDSSSBDWQPR-MRXNPFEDSA-N 1 3 334.464 0.343 20 0 ECADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000418864114 438225361 /nfs/dbraw/zinc/22/53/61/438225361.db2.gz JRNRLKNKYFEXAL-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000418864114 438225365 /nfs/dbraw/zinc/22/53/65/438225365.db2.gz JRNRLKNKYFEXAL-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CCN1CCOCC1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433127747 438225701 /nfs/dbraw/zinc/22/57/01/438225701.db2.gz UDVDYCHEXBSZQU-OAHLLOKOSA-N 1 3 326.485 0.417 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418873658 438229857 /nfs/dbraw/zinc/22/98/57/438229857.db2.gz IJRYRIRWZPBDPX-HYVNUMGLSA-N 1 3 346.475 0.471 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418880574 438234636 /nfs/dbraw/zinc/23/46/36/438234636.db2.gz VOLUIOPLOPOTEQ-HOTGVXAUSA-N 1 3 334.464 0.375 20 0 ECADHO COCCN(C)CCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433325563 438237811 /nfs/dbraw/zinc/23/78/11/438237811.db2.gz HDFHSQCSAOBOKE-HNNXBMFYSA-N 1 3 330.473 0.365 20 0 ECADHO COCCN(C)CCNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433325563 438237827 /nfs/dbraw/zinc/23/78/27/438237827.db2.gz HDFHSQCSAOBOKE-HNNXBMFYSA-N 1 3 330.473 0.365 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418814573 438198215 /nfs/dbraw/zinc/19/82/15/438198215.db2.gz JXZQHRAGRLDZKW-KBXCAEBGSA-N 1 3 332.448 0.621 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)Cc1ccccc1 ZINC000418950677 438262444 /nfs/dbraw/zinc/26/24/44/438262444.db2.gz QZRIZJJKHCCZNT-OIISXLGYSA-N 1 3 344.459 0.301 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@@H+]1C ZINC000418969206 438268248 /nfs/dbraw/zinc/26/82/48/438268248.db2.gz VASMRZAKPRXCSO-PQEBFOHHSA-N 1 3 344.459 0.539 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@H+]1C ZINC000418969206 438268252 /nfs/dbraw/zinc/26/82/52/438268252.db2.gz VASMRZAKPRXCSO-PQEBFOHHSA-N 1 3 344.459 0.539 20 0 ECADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)N1CCCNCC1 ZINC000418994167 438278039 /nfs/dbraw/zinc/27/80/39/438278039.db2.gz BHGBPFGEWPCGRZ-UHFFFAOYSA-N 1 3 344.459 0.721 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000419001898 438278682 /nfs/dbraw/zinc/27/86/82/438278682.db2.gz PNMZOQXVUZGICO-QGZVFWFLSA-N 1 3 346.475 0.693 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351537716 438281864 /nfs/dbraw/zinc/28/18/64/438281864.db2.gz JCNBHQLGIRIHQU-HOTGVXAUSA-N 1 3 332.448 0.144 20 0 ECADHO CN(C)[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000351553530 438286734 /nfs/dbraw/zinc/28/67/34/438286734.db2.gz FFJJDUVFBSDEEB-HZPDHXFCSA-N 1 3 332.448 0.144 20 0 ECADHO Cc1ccc([C@H](CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)N(C)C)cc1 ZINC000358708795 438287319 /nfs/dbraw/zinc/28/73/19/438287319.db2.gz RDONHWBRAJZZQA-FUHWJXTLSA-N 1 3 334.464 0.964 20 0 ECADHO Cc1ccc([C@H](CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)N(C)C)cc1 ZINC000358708795 438287324 /nfs/dbraw/zinc/28/73/24/438287324.db2.gz RDONHWBRAJZZQA-FUHWJXTLSA-N 1 3 334.464 0.964 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419018635 438288554 /nfs/dbraw/zinc/28/85/54/438288554.db2.gz CMIIOGXWJFJIPP-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419021518 438292099 /nfs/dbraw/zinc/29/20/99/438292099.db2.gz HABPNXRBQCYRLA-IJEWVQPXSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000419025173 438293669 /nfs/dbraw/zinc/29/36/69/438293669.db2.gz MDXOZAYQHBQENY-CQSZACIVSA-N 1 3 338.496 0.871 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419111198 438325576 /nfs/dbraw/zinc/32/55/76/438325576.db2.gz SWRHFWWSDZMGOR-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419120413 438331010 /nfs/dbraw/zinc/33/10/10/438331010.db2.gz KXPLFMZSCXMRDE-HOTGVXAUSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419031372 438297910 /nfs/dbraw/zinc/29/79/10/438297910.db2.gz VIHLKDMRLDQRLB-DGADGQDISA-N 1 3 338.496 0.665 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419033663 438298871 /nfs/dbraw/zinc/29/88/71/438298871.db2.gz YNNPFLZOPJVXLH-BYNSBNAKSA-N 1 3 326.485 0.583 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000419082267 438314551 /nfs/dbraw/zinc/31/45/51/438314551.db2.gz UKPLMQVHDVGXKS-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419083602 438315859 /nfs/dbraw/zinc/31/58/59/438315859.db2.gz WWQCFZMRVQKQPQ-MAUKXSAKSA-N 1 3 336.480 0.579 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419084485 438316048 /nfs/dbraw/zinc/31/60/48/438316048.db2.gz YRDGJPXRAZYANH-BZUAXINKSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419143394 438347621 /nfs/dbraw/zinc/34/76/21/438347621.db2.gz DFMJHNDBQDCGIH-HUUCEWRRSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419373117 438355874 /nfs/dbraw/zinc/35/58/74/438355874.db2.gz NMQJPWIGKZGBOX-HOTGVXAUSA-N 1 3 338.496 0.666 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1=O ZINC000378226396 438365852 /nfs/dbraw/zinc/36/58/52/438365852.db2.gz LJXYRLQAJHJBHM-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000352097306 438381348 /nfs/dbraw/zinc/38/13/48/438381348.db2.gz QYMJWEXEIQVEHR-GOEBONIOSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000352097306 438381352 /nfs/dbraw/zinc/38/13/52/438381352.db2.gz QYMJWEXEIQVEHR-GOEBONIOSA-N 1 3 326.485 0.857 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420041690 438383422 /nfs/dbraw/zinc/38/34/22/438383422.db2.gz PZFXRTSLHGEZLS-BFHYXJOUSA-N 1 3 340.468 0.158 20 0 ECADHO C[C@H](CN(C)C)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000352415892 438420850 /nfs/dbraw/zinc/42/08/50/438420850.db2.gz CNCCDGFOHTZATJ-CQSZACIVSA-N 1 3 325.501 0.794 20 0 ECADHO O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391003951 438436144 /nfs/dbraw/zinc/43/61/44/438436144.db2.gz GPHAZFFPOUMBKK-ROUUACIJSA-N 1 3 347.459 0.772 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000359268652 438398317 /nfs/dbraw/zinc/39/83/17/438398317.db2.gz XDYPIOOXWGPDAS-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000359268652 438398319 /nfs/dbraw/zinc/39/83/19/438398319.db2.gz XDYPIOOXWGPDAS-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000422113637 438520499 /nfs/dbraw/zinc/52/04/99/438520499.db2.gz HXVKIZRDEYYOOZ-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)N2CCN(C)CC2)CC1 ZINC000353839182 438542659 /nfs/dbraw/zinc/54/26/59/438542659.db2.gz DYKBIHCVZORQSP-DLBZAZTESA-N 1 3 339.528 0.012 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000422291180 438546803 /nfs/dbraw/zinc/54/68/03/438546803.db2.gz FTXNXTFFODDGPI-GPANFISMSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000370271302 438566750 /nfs/dbraw/zinc/56/67/50/438566750.db2.gz SCRHWABAUNWBAG-INMHGKMJSA-N 1 3 326.460 0.705 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCCCC[N@H+](C)C1CC1)CC2 ZINC000422450870 438573030 /nfs/dbraw/zinc/57/30/30/438573030.db2.gz CQCBGKPESBIQQV-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+](C)C1CC1)CC2 ZINC000422450870 438573033 /nfs/dbraw/zinc/57/30/33/438573033.db2.gz CQCBGKPESBIQQV-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795738 438624374 /nfs/dbraw/zinc/62/43/74/438624374.db2.gz VIGWOWMPMBKQQA-CVEARBPZSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795738 438624378 /nfs/dbraw/zinc/62/43/78/438624378.db2.gz VIGWOWMPMBKQQA-CVEARBPZSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795738 438624379 /nfs/dbraw/zinc/62/43/79/438624379.db2.gz VIGWOWMPMBKQQA-CVEARBPZSA-N 1 3 331.464 0.789 20 0 ECADHO COC[C@H](CCC[NH3+])N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423046860 438631797 /nfs/dbraw/zinc/63/17/97/438631797.db2.gz GETZPUWWYCYQEM-ROUUACIJSA-N 1 3 349.475 0.800 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423058174 438634939 /nfs/dbraw/zinc/63/49/39/438634939.db2.gz BMJQULDJSUBVHZ-CABCVRRESA-N 1 3 326.485 0.618 20 0 ECADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000443059547 438638130 /nfs/dbraw/zinc/63/81/30/438638130.db2.gz MZBZPQAUPOGMCE-OAHLLOKOSA-N 1 3 348.447 0.625 20 0 ECADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000443067414 438638274 /nfs/dbraw/zinc/63/82/74/438638274.db2.gz GMPGZFBXNRGVNZ-MRXNPFEDSA-N 1 3 338.496 0.956 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC[C@@H](CC[NH3+])C2)C1 ZINC000443069742 438640531 /nfs/dbraw/zinc/64/05/31/438640531.db2.gz KJXYUNIBUYVAGC-IRXDYDNUSA-N 1 3 340.512 0.520 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423150913 438643058 /nfs/dbraw/zinc/64/30/58/438643058.db2.gz JFGVEBVGPDOHFB-CVEARBPZSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000423150577 438643822 /nfs/dbraw/zinc/64/38/22/438643822.db2.gz JBAPKQUPSMEXSD-BZUAXINKSA-N 1 3 336.480 0.517 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423162120 438645769 /nfs/dbraw/zinc/64/57/69/438645769.db2.gz KMGFFMRYQXIGLH-HNNXBMFYSA-N 1 3 336.411 0.276 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000423198899 438648125 /nfs/dbraw/zinc/64/81/25/438648125.db2.gz IOXUGDBJUPVQAB-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000423226089 438650711 /nfs/dbraw/zinc/65/07/11/438650711.db2.gz PJGPQISAUSYKFP-QAPCUYQASA-N 1 3 336.480 0.661 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423234705 438651282 /nfs/dbraw/zinc/65/12/82/438651282.db2.gz FUPZTERTXJMYAL-MRXNPFEDSA-N 1 3 332.448 0.656 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000410779716 438656022 /nfs/dbraw/zinc/65/60/22/438656022.db2.gz MDOSHNONEOVIRT-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410779716 438656026 /nfs/dbraw/zinc/65/60/26/438656026.db2.gz MDOSHNONEOVIRT-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000423374617 438668117 /nfs/dbraw/zinc/66/81/17/438668117.db2.gz CMCJTIBWQDJXGW-YOEHRIQHSA-N 1 3 346.475 0.982 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411016652 438669156 /nfs/dbraw/zinc/66/91/56/438669156.db2.gz ARQVHRGDZXPGMJ-HOTGVXAUSA-N 1 3 338.496 0.870 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423401155 438673237 /nfs/dbraw/zinc/67/32/37/438673237.db2.gz WXTUZLNQOZRGLV-CVEARBPZSA-N 1 3 335.452 0.648 20 0 ECADHO CC[C@H](C(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CCC1)[NH+](C)C ZINC000413787446 438696431 /nfs/dbraw/zinc/69/64/31/438696431.db2.gz GHFUPMMXECEZJN-KGLIPLIRSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@H](C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)CCC1)N(C)C ZINC000413787446 438696433 /nfs/dbraw/zinc/69/64/33/438696433.db2.gz GHFUPMMXECEZJN-KGLIPLIRSA-N 1 3 326.485 0.822 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)[C@@H](C)C1 ZINC000410793519 438657953 /nfs/dbraw/zinc/65/79/53/438657953.db2.gz RBQGUFWHPBRHGP-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)[C@@H](C)C1 ZINC000410793519 438657956 /nfs/dbraw/zinc/65/79/56/438657956.db2.gz RBQGUFWHPBRHGP-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414690286 438714668 /nfs/dbraw/zinc/71/46/68/438714668.db2.gz HNWMTVZNPCMZCE-UHFFFAOYSA-N 1 3 348.447 0.355 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414690286 438714671 /nfs/dbraw/zinc/71/46/71/438714671.db2.gz HNWMTVZNPCMZCE-UHFFFAOYSA-N 1 3 348.447 0.355 20 0 ECADHO CCOC(=O)CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CCCC1 ZINC000414713545 438715152 /nfs/dbraw/zinc/71/51/52/438715152.db2.gz WBYCIZMSPHXSNX-AWEZNQCLSA-N 1 3 325.453 0.991 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000414701122 438715963 /nfs/dbraw/zinc/71/59/63/438715963.db2.gz KIHDIMXPUDXDTB-AWEZNQCLSA-N 1 3 348.447 0.811 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[NH2+]CCOc2ncccc2Cl)C1 ZINC000415088317 438728344 /nfs/dbraw/zinc/72/83/44/438728344.db2.gz LRUYYNOKLWDZQJ-LBPRGKRZSA-N 1 3 326.828 0.901 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(NCC2CC2)nc1 ZINC000548821995 438733934 /nfs/dbraw/zinc/73/39/34/438733934.db2.gz USURZBCBTYOPLH-UHFFFAOYSA-N 1 3 333.480 1.469 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)Cn3cncn3)CC2)CC1 ZINC000553061899 438744624 /nfs/dbraw/zinc/74/46/24/438744624.db2.gz AKWKSAFZRMYGSY-HNNXBMFYSA-N 1 3 348.495 0.979 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)N(C)C)C[C@@H](C)C1)[NH+](C)C ZINC000456696356 438778530 /nfs/dbraw/zinc/77/85/30/438778530.db2.gz KGRRXXLNAAERKP-MUJYYYPQSA-N 1 3 340.512 0.974 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H](C)C1)N(C)C ZINC000456696356 438778533 /nfs/dbraw/zinc/77/85/33/438778533.db2.gz KGRRXXLNAAERKP-MUJYYYPQSA-N 1 3 340.512 0.974 20 0 ECADHO CO[C@H]1COCC[C@@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576601287 438790465 /nfs/dbraw/zinc/79/04/65/438790465.db2.gz QZWOHPMWIBDSSU-CABCVRRESA-N 1 3 330.473 0.173 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000514603858 438817291 /nfs/dbraw/zinc/81/72/91/438817291.db2.gz SCBVPGMDGIHZIV-RRFJBIMHSA-N 1 3 326.485 0.855 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000577165674 438819606 /nfs/dbraw/zinc/81/96/06/438819606.db2.gz YKOXVQFQXFPHOG-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000577530679 438850389 /nfs/dbraw/zinc/85/03/89/438850389.db2.gz PUXYPDFJABAOFW-KFWWJZLASA-N 1 3 337.468 0.060 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000577530679 438850391 /nfs/dbraw/zinc/85/03/91/438850391.db2.gz PUXYPDFJABAOFW-KFWWJZLASA-N 1 3 337.468 0.060 20 0 ECADHO Cc1c(-c2cc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)on2)cnn1C ZINC000564988204 438901857 /nfs/dbraw/zinc/90/18/57/438901857.db2.gz BIZGTRNHPKMOHZ-ZDUSSCGKSA-N 1 3 346.435 0.670 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000578175192 438903866 /nfs/dbraw/zinc/90/38/66/438903866.db2.gz NLESQWIPFGAWFC-QAPCUYQASA-N 1 3 336.480 0.437 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nn(C)cc1Cl ZINC000577715626 438864094 /nfs/dbraw/zinc/86/40/94/438864094.db2.gz HEKPFRPLQNGRMV-UHFFFAOYSA-N 1 3 330.864 0.708 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(S(=O)(=O)CCC[NH+](C)C)C2)CC1 ZINC000601370846 438864529 /nfs/dbraw/zinc/86/45/29/438864529.db2.gz ZCYJEZGBXLDBHZ-INIZCTEOSA-N 1 3 346.541 0.368 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000595900619 438882288 /nfs/dbraw/zinc/88/22/88/438882288.db2.gz ILGWCLBFQQVEPO-HOTGVXAUSA-N 1 3 337.464 0.862 20 0 ECADHO C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CCCCN2CCO)CCSC1 ZINC000458492182 438893066 /nfs/dbraw/zinc/89/30/66/438893066.db2.gz FIIIXPLOLTVGNT-HOCLYGCPSA-N 1 3 344.525 0.570 20 0 ECADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000565159015 438922862 /nfs/dbraw/zinc/92/28/62/438922862.db2.gz VLCIQFUCUMMTJS-MSOLQXFVSA-N 1 3 342.528 0.026 20 0 ECADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000565159015 438922863 /nfs/dbraw/zinc/92/28/63/438922863.db2.gz VLCIQFUCUMMTJS-MSOLQXFVSA-N 1 3 342.528 0.026 20 0 ECADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516939186 438939211 /nfs/dbraw/zinc/93/92/11/438939211.db2.gz OZYABBDXPCCUIA-BFHYXJOUSA-N 1 3 325.457 0.060 20 0 ECADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516939186 438939213 /nfs/dbraw/zinc/93/92/13/438939213.db2.gz OZYABBDXPCCUIA-BFHYXJOUSA-N 1 3 325.457 0.060 20 0 ECADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CNCCO1 ZINC000565294318 438940478 /nfs/dbraw/zinc/94/04/78/438940478.db2.gz JSPXJDFJAXSVBG-INIZCTEOSA-N 1 3 333.436 0.586 20 0 ECADHO CS(=O)(=O)N1CCC[C@H](CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000517031525 438947798 /nfs/dbraw/zinc/94/77/98/438947798.db2.gz JNIJJCYCGGSWPJ-HUUCEWRRSA-N 1 3 345.509 0.345 20 0 ECADHO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n(C)n1 ZINC000601664408 438952757 /nfs/dbraw/zinc/95/27/57/438952757.db2.gz NTUPDMSEBKIAKB-LBPRGKRZSA-N 1 3 339.440 0.209 20 0 ECADHO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n(C)n1 ZINC000601664408 438952778 /nfs/dbraw/zinc/95/27/78/438952778.db2.gz NTUPDMSEBKIAKB-LBPRGKRZSA-N 1 3 339.440 0.209 20 0 ECADHO O[C@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)Cn1cccn1 ZINC000579223831 438990699 /nfs/dbraw/zinc/99/06/99/438990699.db2.gz XFUBLWBVSJHHKS-QZTJIDSGSA-N 1 3 330.432 0.600 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCCN(Cc2ccccc2)CC1 ZINC000566000101 438994863 /nfs/dbraw/zinc/99/48/63/438994863.db2.gz QSLYMVCKSUKXDA-KRWDZBQOSA-N 1 3 332.448 0.892 20 0 ECADHO CN1CCN(C)[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518438172 438999834 /nfs/dbraw/zinc/99/98/34/438999834.db2.gz WJVGUQRUMAOKLF-QZTJIDSGSA-N 1 3 345.491 0.656 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000519707039 439057832 /nfs/dbraw/zinc/05/78/32/439057832.db2.gz BJUQXHJOZHOWDL-HUUCEWRRSA-N 1 3 337.468 0.075 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NCCN(C)C ZINC000579611466 439024425 /nfs/dbraw/zinc/02/44/25/439024425.db2.gz MBRFDNFDKIBGED-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NCCN(C)C ZINC000579611466 439024432 /nfs/dbraw/zinc/02/44/32/439024432.db2.gz MBRFDNFDKIBGED-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000459896578 439029475 /nfs/dbraw/zinc/02/94/75/439029475.db2.gz FUQQWIQAJLUCRE-HNNXBMFYSA-N 1 3 326.485 0.585 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000520793674 439093362 /nfs/dbraw/zinc/09/33/62/439093362.db2.gz DTXRGASWBHXDEZ-HRCADAONSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000520772110 439093671 /nfs/dbraw/zinc/09/36/71/439093671.db2.gz RJDBGZAPWIYSGH-WBVHZDCISA-N 1 3 333.480 0.791 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000602509955 439101400 /nfs/dbraw/zinc/10/14/00/439101400.db2.gz QCEIXRSMHYTZIO-WMLDXEAASA-N 1 3 341.452 0.145 20 0 ECADHO CCc1nnc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000521331417 439113460 /nfs/dbraw/zinc/11/34/60/439113460.db2.gz INWLTNGVLUWOAF-UHFFFAOYSA-N 1 3 328.486 0.735 20 0 ECADHO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000591736725 439078532 /nfs/dbraw/zinc/07/85/32/439078532.db2.gz KFJVBLCIOPMJSN-ZBFHGGJFSA-N 1 3 327.469 0.449 20 0 ECADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580726640 439124220 /nfs/dbraw/zinc/12/42/20/439124220.db2.gz YLMADTUGSAEGTH-MCIONIFRSA-N 1 3 325.457 0.060 20 0 ECADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580726640 439124224 /nfs/dbraw/zinc/12/42/24/439124224.db2.gz YLMADTUGSAEGTH-MCIONIFRSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000567262529 439128112 /nfs/dbraw/zinc/12/81/12/439128112.db2.gz SLUSWJKVKBFGNY-IRXDYDNUSA-N 1 3 326.529 0.695 20 0 ECADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000567262529 439128116 /nfs/dbraw/zinc/12/81/16/439128116.db2.gz SLUSWJKVKBFGNY-IRXDYDNUSA-N 1 3 326.529 0.695 20 0 ECADHO C[C@H]1CCC[N@H+](C(C)(C)CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000567262529 439128120 /nfs/dbraw/zinc/12/81/20/439128120.db2.gz SLUSWJKVKBFGNY-IRXDYDNUSA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)C[C@H]1CN ZINC000567572300 439152989 /nfs/dbraw/zinc/15/29/89/439152989.db2.gz PURMUWPZVQHBEL-XUWVNRHRSA-N 1 3 325.501 0.637 20 0 ECADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)C[C@H]1CN ZINC000567572300 439152994 /nfs/dbraw/zinc/15/29/94/439152994.db2.gz PURMUWPZVQHBEL-XUWVNRHRSA-N 1 3 325.501 0.637 20 0 ECADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000567608770 439156860 /nfs/dbraw/zinc/15/68/60/439156860.db2.gz MLLOLPGYLRIKDH-RDJZCZTQSA-N 1 3 331.464 0.708 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568738320 439272766 /nfs/dbraw/zinc/27/27/66/439272766.db2.gz YPSNXOOMCNSIKF-YJBOKZPZSA-N 1 3 336.480 0.579 20 0 ECADHO CN(C)CCn1cc(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cn1 ZINC000592956154 439317764 /nfs/dbraw/zinc/31/77/64/439317764.db2.gz DXUJJKXIDLPKBV-GFCCVEGCSA-N 1 3 331.424 0.730 20 0 ECADHO CN1CCN(C[C@@H](O)CNCC2([NH+](C)C)CCCCCC2)CC1 ZINC000569436364 439333151 /nfs/dbraw/zinc/33/31/51/439333151.db2.gz SZWXNSUQTPBCCF-KRWDZBQOSA-N 1 3 326.529 0.839 20 0 ECADHO CN(C)C1(C[NH2+]C[C@H](O)CN2CCN(C)CC2)CCCCCC1 ZINC000569436364 439333155 /nfs/dbraw/zinc/33/31/55/439333155.db2.gz SZWXNSUQTPBCCF-KRWDZBQOSA-N 1 3 326.529 0.839 20 0 ECADHO CCOC(=O)CC[C@@H](O)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000568975486 439294140 /nfs/dbraw/zinc/29/41/40/439294140.db2.gz IEXVSWHLEPAYSB-QGZVFWFLSA-N 1 3 341.496 0.839 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCSC1 ZINC000582120457 439294831 /nfs/dbraw/zinc/29/48/31/439294831.db2.gz WSUBHMBYQXYKSY-DOMZBBRYSA-N 1 3 338.481 0.197 20 0 ECADHO CC(C)N1CCN(CCC[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)CC1 ZINC000528750223 439364958 /nfs/dbraw/zinc/36/49/58/439364958.db2.gz BVKCQLUFKLQTQP-HDICACEKSA-N 1 3 327.513 0.715 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)CC1 ZINC000528750223 439364964 /nfs/dbraw/zinc/36/49/64/439364964.db2.gz BVKCQLUFKLQTQP-HDICACEKSA-N 1 3 327.513 0.715 20 0 ECADHO COC[C@@]1(C(=O)NC2CCN(CCOC(C)C)CC2)CC[NH2+]C1 ZINC000582843430 439386632 /nfs/dbraw/zinc/38/66/32/439386632.db2.gz BSAIOQLFKFXHBS-QGZVFWFLSA-N 1 3 327.469 0.618 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000570913033 439460423 /nfs/dbraw/zinc/46/04/23/439460423.db2.gz XUMHZOICBRQAMF-PMPSAXMXSA-N 1 3 336.480 0.578 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000583572067 439481940 /nfs/dbraw/zinc/48/19/40/439481940.db2.gz QDGDFQOVZRAFCI-RVKKMQEKSA-N 1 3 339.480 0.746 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000583689081 439498888 /nfs/dbraw/zinc/49/88/88/439498888.db2.gz SBGYUDGIXHHVEM-UHFFFAOYSA-N 1 3 344.463 0.762 20 0 ECADHO CN(C)C/C=C/C(=O)N(C1CC1)[C@H]1CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000492347036 439525262 /nfs/dbraw/zinc/52/52/62/439525262.db2.gz WLBBAONNPZFIFB-ZEGNOECCSA-N 1 3 348.491 0.814 20 0 ECADHO CN(C)C/C=C\C(=O)N1CC[C@H](N(C(=O)/C=C/C[NH+](C)C)C2CC2)C1 ZINC000492347036 439525271 /nfs/dbraw/zinc/52/52/71/439525271.db2.gz WLBBAONNPZFIFB-ZEGNOECCSA-N 1 3 348.491 0.814 20 0 ECADHO C[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000608692621 439536545 /nfs/dbraw/zinc/53/65/45/439536545.db2.gz FEDURWSUNBGLDO-CVEARBPZSA-N 1 3 339.528 0.899 20 0 ECADHO Cc1cc(NC(=O)CCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)no1 ZINC000572384385 439577944 /nfs/dbraw/zinc/57/79/44/439577944.db2.gz UVJKITIFZKEGEJ-YOEHRIQHSA-N 1 3 336.436 1.530 20 0 ECADHO O=C1NCC[C@]12CCCN2CCCCC[N@@H+]1CCC[C@]12CCNC2=O ZINC000573217765 439635289 /nfs/dbraw/zinc/63/52/89/439635289.db2.gz PRHYJCRXDVPYQB-RTBURBONSA-N 1 3 348.491 0.866 20 0 ECADHO O=C1NCC[C@]12CCCN2CCCCC[N@H+]1CCC[C@]12CCNC2=O ZINC000573217765 439635292 /nfs/dbraw/zinc/63/52/92/439635292.db2.gz PRHYJCRXDVPYQB-RTBURBONSA-N 1 3 348.491 0.866 20 0 ECADHO C[NH+](C)CC1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCC1 ZINC000573340077 439642076 /nfs/dbraw/zinc/64/20/76/439642076.db2.gz HGDATZYJJQWIDH-KBPBESRZSA-N 1 3 337.468 0.062 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000572997802 439621731 /nfs/dbraw/zinc/62/17/31/439621731.db2.gz QBOLYFJKSIEZSP-UHFFFAOYSA-N 1 3 338.456 0.246 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000574385906 439701888 /nfs/dbraw/zinc/70/18/88/439701888.db2.gz KVMBVFUVGDZLTK-YIDVYQOGSA-N 1 3 334.464 0.186 20 0 ECADHO O=C(NC1CC(N2CCCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000574511282 439710600 /nfs/dbraw/zinc/71/06/00/439710600.db2.gz FJXDWWHSAIWCRB-SLTAFYQDSA-N 1 3 332.452 0.949 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000611651980 439714009 /nfs/dbraw/zinc/71/40/09/439714009.db2.gz XYKNSAGHXVFRED-IPYPFGDCSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000611651980 439714010 /nfs/dbraw/zinc/71/40/10/439714010.db2.gz XYKNSAGHXVFRED-IPYPFGDCSA-N 1 3 336.480 0.574 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000612545319 439726028 /nfs/dbraw/zinc/72/60/28/439726028.db2.gz JKSCALKSAVGXOG-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000612545319 439726029 /nfs/dbraw/zinc/72/60/29/439726029.db2.gz JKSCALKSAVGXOG-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[C@@H]1CCN(CC)C1 ZINC000611758570 439726936 /nfs/dbraw/zinc/72/69/36/439726936.db2.gz KYFIUQZCMKAFJW-GDBMZVCRSA-N 1 3 336.480 0.696 20 0 ECADHO CN1CCN(Cc2ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cc2)CC1 ZINC000614854297 439788962 /nfs/dbraw/zinc/78/89/62/439788962.db2.gz MKPLLTRRHMYCMD-QGZVFWFLSA-N 1 3 334.464 0.086 20 0 ECADHO CN(C)CCn1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cn1 ZINC000631386686 439842634 /nfs/dbraw/zinc/84/26/34/439842634.db2.gz QCHWHKKBGSUTEB-OAHLLOKOSA-N 1 3 349.479 0.675 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662714722 439854696 /nfs/dbraw/zinc/85/46/96/439854696.db2.gz ACUZFTXKKPYZAX-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C(=O)c1ccnc(CN)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901053 439932611 /nfs/dbraw/zinc/93/26/11/439932611.db2.gz SNACHAMCXYOGFI-QGZVFWFLSA-N 1 3 331.464 0.781 20 0 ECADHO CN(C(=O)c1ccnc(CN)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901053 439932614 /nfs/dbraw/zinc/93/26/14/439932614.db2.gz SNACHAMCXYOGFI-QGZVFWFLSA-N 1 3 331.464 0.781 20 0 ECADHO CN(C(=O)c1ccnc(CN)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901053 439932620 /nfs/dbraw/zinc/93/26/20/439932620.db2.gz SNACHAMCXYOGFI-QGZVFWFLSA-N 1 3 331.464 0.781 20 0 ECADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1(NC2CC2)CCC1 ZINC000662772344 439883753 /nfs/dbraw/zinc/88/37/53/439883753.db2.gz GQHHEYLPHGGXER-LBPRGKRZSA-N 1 3 334.386 0.613 20 0 ECADHO O=C(NCCN1CC[C@H](O)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000636475654 439895966 /nfs/dbraw/zinc/89/59/66/439895966.db2.gz ZLEPKSSMTREZCV-IRXDYDNUSA-N 1 3 332.448 0.627 20 0 ECADHO O=C(NCCN1CC[C@H](O)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000636475654 439895969 /nfs/dbraw/zinc/89/59/69/439895969.db2.gz ZLEPKSSMTREZCV-IRXDYDNUSA-N 1 3 332.448 0.627 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2ncncc2C1 ZINC000617502364 439898870 /nfs/dbraw/zinc/89/88/70/439898870.db2.gz MTPJTNYAHDQPCE-GJZGRUSLSA-N 1 3 333.480 0.970 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2ncncc2C1 ZINC000617502364 439898874 /nfs/dbraw/zinc/89/88/74/439898874.db2.gz MTPJTNYAHDQPCE-GJZGRUSLSA-N 1 3 333.480 0.970 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC000617502113 439899637 /nfs/dbraw/zinc/89/96/37/439899637.db2.gz CPXKYWNBEZLSDP-ZDUSSCGKSA-N 1 3 339.488 0.359 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC000617502113 439899645 /nfs/dbraw/zinc/89/96/45/439899645.db2.gz CPXKYWNBEZLSDP-ZDUSSCGKSA-N 1 3 339.488 0.359 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)C[C@@H]21 ZINC000626827291 439899992 /nfs/dbraw/zinc/89/99/92/439899992.db2.gz JKPCMPPCSNMIMK-HIFRSBDPSA-N 1 3 344.415 0.270 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC000617507982 439904278 /nfs/dbraw/zinc/90/42/78/439904278.db2.gz QRSMKFCMUMPLKS-STQMWFEESA-N 1 3 329.489 0.458 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC000617507982 439904280 /nfs/dbraw/zinc/90/42/80/439904280.db2.gz QRSMKFCMUMPLKS-STQMWFEESA-N 1 3 329.489 0.458 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662837677 439909158 /nfs/dbraw/zinc/90/91/58/439909158.db2.gz JLUSQYHQZAHTLX-ZBFHGGJFSA-N 1 3 332.452 0.949 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652673421 439912489 /nfs/dbraw/zinc/91/24/89/439912489.db2.gz OWTAZIPZDLQWNE-RBSFLKMASA-N 1 3 338.496 0.714 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652673597 439912871 /nfs/dbraw/zinc/91/28/71/439912871.db2.gz VDSKRXMTPUHJIM-CQSZACIVSA-N 1 3 338.496 0.858 20 0 ECADHO O=C(C[C@H]1CNCCO1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662861269 439917379 /nfs/dbraw/zinc/91/73/79/439917379.db2.gz ZHGLHPRLRPACDD-IRXDYDNUSA-N 1 3 333.432 0.248 20 0 ECADHO O=C(C[C@H]1CNCCO1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662861269 439917385 /nfs/dbraw/zinc/91/73/85/439917385.db2.gz ZHGLHPRLRPACDD-IRXDYDNUSA-N 1 3 333.432 0.248 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858389 439918283 /nfs/dbraw/zinc/91/82/83/439918283.db2.gz GULPNKMHFXNMAJ-ULQDDVLXSA-N 1 3 333.432 0.233 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000652687796 439920228 /nfs/dbraw/zinc/92/02/28/439920228.db2.gz MSCDQUREFJJKMH-QGZVFWFLSA-N 1 3 344.459 0.623 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000626958078 439970727 /nfs/dbraw/zinc/97/07/27/439970727.db2.gz CIUNZQONPLICLB-DOTOQJQBSA-N 1 3 346.479 0.643 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000642330450 439973127 /nfs/dbraw/zinc/97/31/27/439973127.db2.gz KLDSATMXZHWWEX-QCODTGAPSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642330396 439974396 /nfs/dbraw/zinc/97/43/96/439974396.db2.gz FCFDMWIMYNIWEC-LJIZCISZSA-N 1 3 336.480 0.147 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000631918987 439979598 /nfs/dbraw/zinc/97/95/98/439979598.db2.gz PZBDEGVREFKRAZ-OAHLLOKOSA-N 1 3 330.498 0.475 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000658536703 439985638 /nfs/dbraw/zinc/98/56/38/439985638.db2.gz WWJBTEJRPUDAOU-UHFFFAOYSA-N 1 3 348.447 0.586 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662914478 439939106 /nfs/dbraw/zinc/93/91/06/439939106.db2.gz AMOWDQKZZJEFIU-OCCSQVGLSA-N 1 3 335.370 0.898 20 0 ECADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000652722927 439944804 /nfs/dbraw/zinc/94/48/04/439944804.db2.gz DHQLBMQMLNHPHG-MRXNPFEDSA-N 1 3 336.480 0.579 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC23CC(C2)C[NH2+]3)CC1=O ZINC000662923757 439946229 /nfs/dbraw/zinc/94/62/29/439946229.db2.gz ZOCANCLOYILUTO-NWPKHEMWSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)N1CCc2ccccc2C1 ZINC000636587860 439948713 /nfs/dbraw/zinc/94/87/13/439948713.db2.gz NQXOENJKMUEZCT-YJBOKZPZSA-N 1 3 346.475 0.799 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)N1CCc2ccccc2C1 ZINC000636587860 439948718 /nfs/dbraw/zinc/94/87/18/439948718.db2.gz NQXOENJKMUEZCT-YJBOKZPZSA-N 1 3 346.475 0.799 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000662943024 439959105 /nfs/dbraw/zinc/95/91/05/439959105.db2.gz OLDXOZWSUFYMEA-MRXNPFEDSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N(C)Cc1ccccc1 ZINC000642262643 439964967 /nfs/dbraw/zinc/96/49/67/439964967.db2.gz VZGROLSZHBCLJO-CQSZACIVSA-N 1 3 332.448 0.491 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3Cc4cncn4C3)CC2)CC1 ZINC000636683008 439990644 /nfs/dbraw/zinc/99/06/44/439990644.db2.gz WUMWJUNJLDNCAO-OAHLLOKOSA-N 1 3 346.479 0.666 20 0 ECADHO N[C@H](C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CCC1 ZINC000663018139 439991355 /nfs/dbraw/zinc/99/13/55/439991355.db2.gz UDKGMZCBJTYRCK-YOEHRIQHSA-N 1 3 346.479 0.653 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017692 439991740 /nfs/dbraw/zinc/99/17/40/439991740.db2.gz QXCNPGQGEJMVOD-QLFBSQMISA-N 1 3 346.479 0.653 20 0 ECADHO CN1CCN(CCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1(C)C ZINC000627030133 439994522 /nfs/dbraw/zinc/99/45/22/439994522.db2.gz MAAKKJKIOYWRNH-HDICACEKSA-N 1 3 337.512 0.653 20 0 ECADHO CO[C@@H](CN)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094356 439999370 /nfs/dbraw/zinc/99/93/70/439999370.db2.gz XMDXMMCBTIRMRH-INIZCTEOSA-N 1 3 335.452 0.556 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC1CCN([C@@H]3CCOC3)CC1)C2 ZINC000627115474 440013932 /nfs/dbraw/zinc/01/39/32/440013932.db2.gz BKAZPYZQFIVVIF-NXHRZFHOSA-N 1 3 336.480 0.881 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000631974072 440019610 /nfs/dbraw/zinc/01/96/10/440019610.db2.gz SKDNHSCIBXHRBW-ZWNOBZJWSA-N 1 3 329.470 0.172 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642956708 440071023 /nfs/dbraw/zinc/07/10/23/440071023.db2.gz PWBYVVZEHICDOM-GOEBONIOSA-N 1 3 345.447 0.364 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653118855 440071314 /nfs/dbraw/zinc/07/13/14/440071314.db2.gz USNHXSURRPEYBK-MRXNPFEDSA-N 1 3 346.475 0.984 20 0 ECADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000643081330 440087119 /nfs/dbraw/zinc/08/71/19/440087119.db2.gz DULVNLVJIBQQOR-WBVHZDCISA-N 1 3 345.447 0.714 20 0 ECADHO C[C@]1(CN2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]C1 ZINC000663512463 440089043 /nfs/dbraw/zinc/08/90/43/440089043.db2.gz MVUUZKHGYKLYIT-QAPCUYQASA-N 1 3 332.496 0.998 20 0 ECADHO CC(C)CN(C)CCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000653176028 440089497 /nfs/dbraw/zinc/08/94/97/440089497.db2.gz IJURMWAKHWFRSK-UHFFFAOYSA-N 1 3 333.498 0.247 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642901192 440053593 /nfs/dbraw/zinc/05/35/93/440053593.db2.gz AOEJHSNAMFVMRO-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642904941 440055459 /nfs/dbraw/zinc/05/54/59/440055459.db2.gz CAUPZBPHWCJQBD-CQSZACIVSA-N 1 3 336.436 0.428 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000627325909 440123841 /nfs/dbraw/zinc/12/38/41/440123841.db2.gz YBZMHAMTZJCUCG-DZGCQCFKSA-N 1 3 348.447 0.110 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CCN1CCCCC1)C1CC[NH+](C)CC1 ZINC000653387179 440144705 /nfs/dbraw/zinc/14/47/05/440144705.db2.gz VZPCKHZMRKCROW-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCN1CC[C@@H](O)C1 ZINC000637023167 440134945 /nfs/dbraw/zinc/13/49/45/440134945.db2.gz LQXFCEUFKWSRRY-NVXWUHKLSA-N 1 3 334.464 0.873 20 0 ECADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCN1CC[C@@H](O)C1 ZINC000637023167 440134951 /nfs/dbraw/zinc/13/49/51/440134951.db2.gz LQXFCEUFKWSRRY-NVXWUHKLSA-N 1 3 334.464 0.873 20 0 ECADHO CCN(C(=O)C(=O)N(C)CCN1CCCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658823348 440138488 /nfs/dbraw/zinc/13/84/88/440138488.db2.gz VYXSLOQXQHBQIH-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CCN(C(=O)C(=O)N(C)CCN1CCCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658823348 440138490 /nfs/dbraw/zinc/13/84/90/440138490.db2.gz VYXSLOQXQHBQIH-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000643398561 440139201 /nfs/dbraw/zinc/13/92/01/440139201.db2.gz UGKFEZVKOGSQDB-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000643398561 440139209 /nfs/dbraw/zinc/13/92/09/440139209.db2.gz UGKFEZVKOGSQDB-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663653368 440142261 /nfs/dbraw/zinc/14/22/61/440142261.db2.gz BGMXQJGMJQUIIY-JYJNAYRXSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663653368 440142267 /nfs/dbraw/zinc/14/22/67/440142267.db2.gz BGMXQJGMJQUIIY-JYJNAYRXSA-N 1 3 326.485 0.957 20 0 ECADHO CC(C)(CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N1CCCCC1 ZINC000627291118 440099793 /nfs/dbraw/zinc/09/97/93/440099793.db2.gz LBHVBPLWARLDTD-AWEZNQCLSA-N 1 3 336.480 0.768 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CNC[C@@H]2CCCO2)C1 ZINC000653267005 440104934 /nfs/dbraw/zinc/10/49/34/440104934.db2.gz JFDGBXOUPOHNII-QXSJWSMHSA-N 1 3 325.453 0.642 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC[C@H]1[NH3+] ZINC000643498928 440190427 /nfs/dbraw/zinc/19/04/27/440190427.db2.gz XHCUDIJXFIMFLX-BZUAXINKSA-N 1 3 336.480 0.659 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643518715 440198007 /nfs/dbraw/zinc/19/80/07/440198007.db2.gz PKYCXSNMPYTSKZ-ZJIFWQFVSA-N 1 3 334.464 0.282 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653388527 440147979 /nfs/dbraw/zinc/14/79/79/440147979.db2.gz DFQMMNCGUKFTAG-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653388527 440147985 /nfs/dbraw/zinc/14/79/85/440147985.db2.gz DFQMMNCGUKFTAG-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CCN(CCN)C(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627357138 440149386 /nfs/dbraw/zinc/14/93/86/440149386.db2.gz YLKMJJLTXJUYMQ-NVXWUHKLSA-N 1 3 346.475 0.820 20 0 ECADHO CCN(CCN)C(=O)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627357138 440149390 /nfs/dbraw/zinc/14/93/90/440149390.db2.gz YLKMJJLTXJUYMQ-NVXWUHKLSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627446942 440210301 /nfs/dbraw/zinc/21/03/01/440210301.db2.gz XTRMPIRHWGJCAM-ZNMIVQPWSA-N 1 3 336.480 0.766 20 0 ECADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643574486 440211303 /nfs/dbraw/zinc/21/13/03/440211303.db2.gz MIPLNDCPIWUYBD-OAHLLOKOSA-N 1 3 331.420 0.070 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)C2)C1 ZINC000643590193 440216023 /nfs/dbraw/zinc/21/60/23/440216023.db2.gz BZVMNNYAJOFOOZ-VKJFTORMSA-N 1 3 334.464 0.141 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664044299 440223216 /nfs/dbraw/zinc/22/32/16/440223216.db2.gz QMFORPISTVYIDU-PMPSAXMXSA-N 1 3 326.485 0.957 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664044299 440223225 /nfs/dbraw/zinc/22/32/25/440223225.db2.gz QMFORPISTVYIDU-PMPSAXMXSA-N 1 3 326.485 0.957 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000648129762 440237691 /nfs/dbraw/zinc/23/76/91/440237691.db2.gz KKLIIOTXEGMUPG-LBPRGKRZSA-N 1 3 331.482 0.048 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659019001 440205145 /nfs/dbraw/zinc/20/51/45/440205145.db2.gz UQTSOTJNSMSHHL-UHFFFAOYSA-N 1 3 347.463 0.816 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000659104283 440249872 /nfs/dbraw/zinc/24/98/72/440249872.db2.gz ZJQKFTUUNGAAAZ-AWEZNQCLSA-N 1 3 334.420 0.563 20 0 ECADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654399863 440309494 /nfs/dbraw/zinc/30/94/94/440309494.db2.gz UEKSPEQHJFHQAJ-BPKGMFCQSA-N 1 3 338.496 0.813 20 0 ECADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654399863 440309500 /nfs/dbraw/zinc/30/95/00/440309500.db2.gz UEKSPEQHJFHQAJ-BPKGMFCQSA-N 1 3 338.496 0.813 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3CCC[NH2+]CC3)ccc2[nH]c1=O ZINC000637802926 440339050 /nfs/dbraw/zinc/33/90/50/440339050.db2.gz CDBPAABIQVYDFA-UHFFFAOYSA-N 1 3 331.420 0.739 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C1 ZINC000637835131 440347611 /nfs/dbraw/zinc/34/76/11/440347611.db2.gz KQYACVALZMAMEX-CYBMUJFWSA-N 1 3 345.447 0.985 20 0 ECADHO C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C1=CC[N@H+](C)CC1 ZINC000664628744 440348004 /nfs/dbraw/zinc/34/80/04/440348004.db2.gz IPRCARLEWDKGPL-CQSZACIVSA-N 1 3 339.484 0.298 20 0 ECADHO C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C1=CC[N@@H+](C)CC1 ZINC000664628744 440348008 /nfs/dbraw/zinc/34/80/08/440348008.db2.gz IPRCARLEWDKGPL-CQSZACIVSA-N 1 3 339.484 0.298 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000659522884 440354040 /nfs/dbraw/zinc/35/40/40/440354040.db2.gz HCXMPMKFVAHYOP-UHFFFAOYSA-N 1 3 336.440 0.753 20 0 ECADHO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664557636 440330463 /nfs/dbraw/zinc/33/04/63/440330463.db2.gz RSPBYJZCIGZWHB-ZNMIVQPWSA-N 1 3 341.500 0.472 20 0 ECADHO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664557636 440330467 /nfs/dbraw/zinc/33/04/67/440330467.db2.gz RSPBYJZCIGZWHB-ZNMIVQPWSA-N 1 3 341.500 0.472 20 0 ECADHO N[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[C@H]1F ZINC000659470659 440335794 /nfs/dbraw/zinc/33/57/94/440335794.db2.gz GGTLDTWEFIPFOX-KLHDSHLOSA-N 1 3 342.459 0.835 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659681302 440417547 /nfs/dbraw/zinc/41/75/47/440417547.db2.gz SZKFVFQRQISBBJ-VNSJNIRKSA-N 1 3 336.480 0.481 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000659681096 440418188 /nfs/dbraw/zinc/41/81/88/440418188.db2.gz PIRNOSOLUSRTBD-RRFJBIMHSA-N 1 3 326.485 0.713 20 0 ECADHO O=C(CN1CC[NH2+]CC1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000638066430 440423048 /nfs/dbraw/zinc/42/30/48/440423048.db2.gz HHHCCCNATSGCTJ-UHFFFAOYSA-N 1 3 332.448 0.487 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000659689113 440423339 /nfs/dbraw/zinc/42/33/39/440423339.db2.gz SLPWLLUHXDQNHE-RCDNUKIMSA-N 1 3 348.491 0.849 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000659689113 440423343 /nfs/dbraw/zinc/42/33/43/440423343.db2.gz SLPWLLUHXDQNHE-RCDNUKIMSA-N 1 3 348.491 0.849 20 0 ECADHO CO[C@H]1COCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665000578 440401383 /nfs/dbraw/zinc/40/13/83/440401383.db2.gz MAYKCCRPIQQWKA-JYJNAYRXSA-N 1 3 344.500 0.609 20 0 ECADHO CO[C@H]1COCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665000578 440401386 /nfs/dbraw/zinc/40/13/86/440401386.db2.gz MAYKCCRPIQQWKA-JYJNAYRXSA-N 1 3 344.500 0.609 20 0 ECADHO CN1CCC(n2cc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cn2)CC1 ZINC000632998970 440401759 /nfs/dbraw/zinc/40/17/59/440401759.db2.gz KTCOJGYASOLWPK-GFCCVEGCSA-N 1 3 334.424 0.038 20 0 ECADHO COc1cccc([C@@H](CNC(=O)CN2CC[NH2+]CC2)N2CCCC2)c1 ZINC000638051323 440409448 /nfs/dbraw/zinc/40/94/48/440409448.db2.gz FMETWPHBQWYVIQ-GOSISDBHSA-N 1 3 346.475 0.854 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659674348 440409785 /nfs/dbraw/zinc/40/97/85/440409785.db2.gz RNYCVLQEQMSZJN-OAHLLOKOSA-N 1 3 336.480 0.435 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638141847 440463998 /nfs/dbraw/zinc/46/39/98/440463998.db2.gz ILJFBFYOXWNDGT-IAGOWNOFSA-N 1 3 341.496 0.962 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731846 440469130 /nfs/dbraw/zinc/46/91/30/440469130.db2.gz FOJDGODPXFRHDS-UHFFFAOYSA-N 1 3 326.485 0.955 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)COC2(C)CNC2)[C@@H](C)C1 ZINC000649334451 440470115 /nfs/dbraw/zinc/47/01/15/440470115.db2.gz JILNSRKGLIGOSV-GJZGRUSLSA-N 1 3 327.469 0.618 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)COC2(C)CNC2)[C@@H](C)C1 ZINC000649334451 440470118 /nfs/dbraw/zinc/47/01/18/440470118.db2.gz JILNSRKGLIGOSV-GJZGRUSLSA-N 1 3 327.469 0.618 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659734760 440472172 /nfs/dbraw/zinc/47/21/72/440472172.db2.gz BVNMHJRXQPMXAJ-RBSFLKMASA-N 1 3 336.480 0.705 20 0 ECADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659736725 440474074 /nfs/dbraw/zinc/47/40/74/440474074.db2.gz OUINTESYPLSUHA-FVRSWCFKSA-N 1 3 334.464 0.459 20 0 ECADHO CN(CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])CC(C)(C)C ZINC000638210038 440478311 /nfs/dbraw/zinc/47/83/11/440478311.db2.gz LYZRSXOWZNWIOM-AWEZNQCLSA-N 1 3 326.485 0.810 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000638088258 440429252 /nfs/dbraw/zinc/42/92/52/440429252.db2.gz FBHQUMUGJLLZBD-INIZCTEOSA-N 1 3 344.463 0.843 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000659699269 440430714 /nfs/dbraw/zinc/43/07/14/440430714.db2.gz UZZRUEXZTWHNMK-CQSZACIVSA-N 1 3 332.448 0.275 20 0 ECADHO O=C(CN1CC[NH2+]CC1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000638094036 440433072 /nfs/dbraw/zinc/43/30/72/440433072.db2.gz XMQZHDPZMTXHAX-UHFFFAOYSA-N 1 3 346.475 0.735 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCN1CCCC1=O ZINC000665228013 440439497 /nfs/dbraw/zinc/43/94/97/440439497.db2.gz HYCGKCDYDKZCBA-AWEZNQCLSA-N 1 3 327.473 0.180 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCN1CCCC1=O ZINC000665228013 440439502 /nfs/dbraw/zinc/43/95/02/440439502.db2.gz HYCGKCDYDKZCBA-AWEZNQCLSA-N 1 3 327.473 0.180 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)[NH+]1CCCCC1 ZINC000659706880 440440932 /nfs/dbraw/zinc/44/09/32/440440932.db2.gz RFEOVOUFNVSAMX-OAGGEKHMSA-N 1 3 338.496 0.953 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633096415 440441898 /nfs/dbraw/zinc/44/18/98/440441898.db2.gz GDOLROAFYRSABP-ULQDDVLXSA-N 1 3 342.443 0.292 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000665293813 440447518 /nfs/dbraw/zinc/44/75/18/440447518.db2.gz DGXLFGZDWWNJNT-RDTXWAMCSA-N 1 3 341.415 0.986 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000659715620 440452404 /nfs/dbraw/zinc/45/24/04/440452404.db2.gz XORKYIVROOSYQH-HUUCEWRRSA-N 1 3 336.480 0.768 20 0 ECADHO C[C@@H]1CCN(CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638125947 440452903 /nfs/dbraw/zinc/45/29/03/440452903.db2.gz HLQLAEXKUKEWLQ-MNOVXSKESA-N 1 3 342.394 0.822 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659721637 440457641 /nfs/dbraw/zinc/45/76/41/440457641.db2.gz KAWUGPNYRXRKRQ-IJEWVQPXSA-N 1 3 336.480 0.624 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638239307 440485988 /nfs/dbraw/zinc/48/59/88/440485988.db2.gz MGPGMLZHUCWSQB-QGZVFWFLSA-N 1 3 341.496 0.819 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249897 440488195 /nfs/dbraw/zinc/48/81/95/440488195.db2.gz ZEJDKJMTBDTSST-KSZLIROESA-N 1 3 330.476 0.904 20 0 ECADHO CC(C)N1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000665637594 440510730 /nfs/dbraw/zinc/51/07/30/440510730.db2.gz IEILWRXCOCQOSL-INIZCTEOSA-N 1 3 327.517 0.994 20 0 ECADHO COC[C@]1(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCCCN1 ZINC000638338685 440514315 /nfs/dbraw/zinc/51/43/15/440514315.db2.gz DIAWGWUXWWHSQT-BQFCYCMXSA-N 1 3 339.480 0.890 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)CN(C)C(C)C)C1 ZINC000659855819 440516388 /nfs/dbraw/zinc/51/63/88/440516388.db2.gz MHLMKIRKMUBSHI-ARFHVFGLSA-N 1 3 329.485 0.551 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)CN(C)C(C)C)C1 ZINC000659855819 440516392 /nfs/dbraw/zinc/51/63/92/440516392.db2.gz MHLMKIRKMUBSHI-ARFHVFGLSA-N 1 3 329.485 0.551 20 0 ECADHO COC[C@]1(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCCCN1 ZINC000638383288 440523835 /nfs/dbraw/zinc/52/38/35/440523835.db2.gz FCDCQNRHQZOKDC-CUSZFKRNSA-N 1 3 339.480 0.890 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)[C@@H]1CCCOC1 ZINC000665764205 440530192 /nfs/dbraw/zinc/53/01/92/440530192.db2.gz YDGOPIJNVNOTEB-XHSDSOJGSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)[C@@H]1CCCOC1 ZINC000665764205 440530198 /nfs/dbraw/zinc/53/01/98/440530198.db2.gz YDGOPIJNVNOTEB-XHSDSOJGSA-N 1 3 344.500 0.345 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1=O ZINC000638506132 440555978 /nfs/dbraw/zinc/55/59/78/440555978.db2.gz QZJSZTMPKCRJTH-BZUAXINKSA-N 1 3 348.491 0.720 20 0 ECADHO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000638527634 440562733 /nfs/dbraw/zinc/56/27/33/440562733.db2.gz WLLUBLYQMLSYCI-QAPCUYQASA-N 1 3 348.447 0.684 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655447070 440565154 /nfs/dbraw/zinc/56/51/54/440565154.db2.gz ORGRHZBMNMIETG-MAUKXSAKSA-N 1 3 336.480 0.389 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000650005741 440580594 /nfs/dbraw/zinc/58/05/94/440580594.db2.gz HOTNWYFNBZMKOZ-OAHLLOKOSA-N 1 3 339.484 0.134 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000650005741 440580599 /nfs/dbraw/zinc/58/05/99/440580599.db2.gz HOTNWYFNBZMKOZ-OAHLLOKOSA-N 1 3 339.484 0.134 20 0 ECADHO [NH3+]C1(CC(=O)NC[C@H]2COCCN2)CCN(Cc2ccccc2)CC1 ZINC000638613277 440580776 /nfs/dbraw/zinc/58/07/76/440580776.db2.gz VTPIRLSDUAYSCR-KRWDZBQOSA-N 1 3 346.475 0.475 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000660120164 440602836 /nfs/dbraw/zinc/60/28/36/440602836.db2.gz DQVOVOJZNKRVBT-HZPDHXFCSA-N 1 3 326.485 0.102 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000660120164 440602839 /nfs/dbraw/zinc/60/28/39/440602839.db2.gz DQVOVOJZNKRVBT-HZPDHXFCSA-N 1 3 326.485 0.102 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CCCO1 ZINC000655929737 440650233 /nfs/dbraw/zinc/65/02/33/440650233.db2.gz WGGOHKGFBQLVIK-MNOVXSKESA-N 1 3 326.363 0.676 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000655954614 440658243 /nfs/dbraw/zinc/65/82/43/440658243.db2.gz BKNPYKJXEBXUHK-BJHJDKERSA-N 1 3 348.422 0.866 20 0 ECADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCC1(N2CCOCC2)CC1 ZINC000644633188 440661338 /nfs/dbraw/zinc/66/13/38/440661338.db2.gz PILMGYIEDIEKRP-GOSISDBHSA-N 1 3 333.476 0.934 20 0 ECADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNCC1(N2CCOCC2)CC1 ZINC000644633188 440661341 /nfs/dbraw/zinc/66/13/41/440661341.db2.gz PILMGYIEDIEKRP-GOSISDBHSA-N 1 3 333.476 0.934 20 0 ECADHO [NH3+]CCC[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655967761 440661924 /nfs/dbraw/zinc/66/19/24/440661924.db2.gz DBDUJYBCVVYZHC-BBWFWOEESA-N 1 3 332.448 0.927 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000650688332 440672474 /nfs/dbraw/zinc/67/24/74/440672474.db2.gz FFAMRRSFHARZTE-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000650688332 440672481 /nfs/dbraw/zinc/67/24/81/440672481.db2.gz FFAMRRSFHARZTE-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916916 440640968 /nfs/dbraw/zinc/64/09/68/440640968.db2.gz KRDCQODZNJKXOS-VXGBXAGGSA-N 1 3 339.406 0.449 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644548854 440641248 /nfs/dbraw/zinc/64/12/48/440641248.db2.gz MKQRHBUEEBPWMC-PKOBYXMFSA-N 1 3 334.508 0.705 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655917843 440643126 /nfs/dbraw/zinc/64/31/26/440643126.db2.gz XWILYOFRYUXQSL-WDEREUQCSA-N 1 3 326.363 0.628 20 0 ECADHO O=C(NCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccn[nH]1 ZINC000634711403 440696549 /nfs/dbraw/zinc/69/65/49/440696549.db2.gz NYJJIXLJQHPOMJ-GOSISDBHSA-N 1 3 343.431 0.366 20 0 ECADHO O=C(NCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccn[nH]1 ZINC000634711403 440696553 /nfs/dbraw/zinc/69/65/53/440696553.db2.gz NYJJIXLJQHPOMJ-GOSISDBHSA-N 1 3 343.431 0.366 20 0 ECADHO O[C@H](CNC[C@@]1(O)CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634718439 440698251 /nfs/dbraw/zinc/69/82/51/440698251.db2.gz BZOZLGJKUOOZGD-MOPGFXCFSA-N 1 3 333.476 0.670 20 0 ECADHO C[C@](O)(C[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000634707298 440693502 /nfs/dbraw/zinc/69/35/02/440693502.db2.gz CUACEZLZTKGTHN-MHORFTMASA-N 1 3 326.481 0.866 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)C[C@H]21 ZINC000656028670 440700675 /nfs/dbraw/zinc/70/06/75/440700675.db2.gz OJYWSYFIQJIDIY-HHARLNAUSA-N 1 3 348.491 0.705 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000656028535 440700722 /nfs/dbraw/zinc/70/07/22/440700722.db2.gz MDBSXBHFFWXAMW-QKPAOTATSA-N 1 3 334.464 0.472 20 0 ECADHO CCCN1CC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000666926861 440709225 /nfs/dbraw/zinc/70/92/25/440709225.db2.gz ZQOIHMMADDSRCT-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO CCCN1CC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000666926861 440709229 /nfs/dbraw/zinc/70/92/29/440709229.db2.gz ZQOIHMMADDSRCT-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629566473 440730529 /nfs/dbraw/zinc/73/05/29/440730529.db2.gz SVCODNIYMTXEQH-QZTJIDSGSA-N 1 3 347.507 0.638 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@H](CO)[C@H]2CCC[C@H](OC)C2)CC1 ZINC000661222243 440816453 /nfs/dbraw/zinc/81/64/53/440816453.db2.gz ZFFZMIPBSGYDFC-BHYGNILZSA-N 1 3 341.496 0.743 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661516473 440870740 /nfs/dbraw/zinc/87/07/40/440870740.db2.gz ZRMXOSSEIWEKDZ-ZIAGYGMSSA-N 1 3 339.484 0.621 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661516473 440870744 /nfs/dbraw/zinc/87/07/44/440870744.db2.gz ZRMXOSSEIWEKDZ-ZIAGYGMSSA-N 1 3 339.484 0.621 20 0 ECADHO CN(C(=O)NCC(F)(F)CN)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000640707621 440971615 /nfs/dbraw/zinc/97/16/15/440971615.db2.gz NVNLXQGUSHRIPA-CYBMUJFWSA-N 1 3 333.427 0.390 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000661946637 440940319 /nfs/dbraw/zinc/94/03/19/440940319.db2.gz KYLMNXJKSGEPRL-ZIAGYGMSSA-N 1 3 325.457 0.232 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000661946637 440940327 /nfs/dbraw/zinc/94/03/27/440940327.db2.gz KYLMNXJKSGEPRL-ZIAGYGMSSA-N 1 3 325.457 0.232 20 0 ECADHO O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H]1CC[NH2+]C1 ZINC000646071119 440988990 /nfs/dbraw/zinc/98/89/90/440988990.db2.gz MURFXIBWSSAWNL-CRAIPNDOSA-N 1 3 328.416 0.792 20 0 ECADHO CCN1CCC(NC(=O)Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000640866534 441012386 /nfs/dbraw/zinc/01/23/86/441012386.db2.gz IHAHNKJZNNCPNR-AWEZNQCLSA-N 1 3 334.468 0.421 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000646187576 441018588 /nfs/dbraw/zinc/01/85/88/441018588.db2.gz FJJGMAITGVWATD-IHRRRGAJSA-N 1 3 327.473 0.354 20 0 ECADHO C[C@H](CNC(=O)NCCC1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000652158830 441021973 /nfs/dbraw/zinc/02/19/73/441021973.db2.gz LJXIQKFPANGJCG-OAHLLOKOSA-N 1 3 325.501 0.559 20 0 ECADHO C[C@@H](NC(=O)CCC1CC[NH2+]CC1)C(=O)NCCN1CCCCC1 ZINC000646557945 441074300 /nfs/dbraw/zinc/07/43/00/441074300.db2.gz RUQYZAXQWPVMGJ-OAHLLOKOSA-N 1 3 338.496 0.873 20 0 ECADHO CN1CCN(CCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1(C)C ZINC000652188773 441027205 /nfs/dbraw/zinc/02/72/05/441027205.db2.gz VAYJYVGQAYSJAQ-YJBOKZPZSA-N 1 3 337.512 0.783 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000635928538 441040099 /nfs/dbraw/zinc/04/00/99/441040099.db2.gz IJFCHIAQJWXXHY-LBPRGKRZSA-N 1 3 333.436 0.983 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CCC[NH2+]CC1)C(=O)NCCN(C)C ZINC000641032009 441048064 /nfs/dbraw/zinc/04/80/64/441048064.db2.gz FMOBJPSDOFDRFW-GJZGRUSLSA-N 1 3 341.500 0.520 20 0 ECADHO O=C(NC1CCN(C2CC2)CC1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000339962715 321006243 /nfs/dbraw/zinc/00/62/43/321006243.db2.gz OIWUZUJXWBTZSE-UHFFFAOYSA-N 1 3 348.491 0.816 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](CO)C3)CC2)CC1 ZINC000339992116 321008986 /nfs/dbraw/zinc/00/89/86/321008986.db2.gz BTCXYATXPRONEI-OAHLLOKOSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000340213642 321023185 /nfs/dbraw/zinc/02/31/85/321023185.db2.gz KFPXXYMJCJZEBG-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000340213642 321023187 /nfs/dbraw/zinc/02/31/87/321023187.db2.gz KFPXXYMJCJZEBG-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000340219936 321024413 /nfs/dbraw/zinc/02/44/13/321024413.db2.gz MCTIZMGWLFSQHL-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000340219936 321024415 /nfs/dbraw/zinc/02/44/15/321024415.db2.gz MCTIZMGWLFSQHL-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340262951 321031929 /nfs/dbraw/zinc/03/19/29/321031929.db2.gz ZIVIWMVPSLPYLF-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340262951 321031930 /nfs/dbraw/zinc/03/19/30/321031930.db2.gz ZIVIWMVPSLPYLF-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000340263513 321032285 /nfs/dbraw/zinc/03/22/85/321032285.db2.gz WWDUAMIECLVBKC-KFWWJZLASA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000351855466 321338448 /nfs/dbraw/zinc/33/84/48/321338448.db2.gz TXMITGMIKJNJRC-VXGBXAGGSA-N 1 3 340.449 0.332 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000353391137 321389654 /nfs/dbraw/zinc/38/96/54/321389654.db2.gz UXMWZJMPJUGULG-WCXIOVBPSA-N 1 3 348.491 0.387 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000557013334 322202407 /nfs/dbraw/zinc/20/24/07/322202407.db2.gz KDLHAFBDPWFAQL-SWLSCSKDSA-N 1 3 348.447 0.810 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000562805614 322284958 /nfs/dbraw/zinc/28/49/58/322284958.db2.gz FEZWMOBECIBRKF-KBAYOESNSA-N 1 3 345.491 0.791 20 0 ECADHO CN1CCN(Cc2ccc(C[NH2+]CCC(=O)NC(N)=O)cc2)CC1 ZINC000562985782 322290850 /nfs/dbraw/zinc/29/08/50/322290850.db2.gz SJCOBLYRGMCMKF-UHFFFAOYSA-N 1 3 333.436 0.109 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000563093932 322297188 /nfs/dbraw/zinc/29/71/88/322297188.db2.gz XQQQXZHYJOVZNM-ZIAGYGMSSA-N 1 3 349.479 0.903 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000563639008 322336420 /nfs/dbraw/zinc/33/64/20/322336420.db2.gz YGNKJMASCVKHKE-HRCADAONSA-N 1 3 338.496 0.727 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cnc2n1CCCC2 ZINC000563907455 322353284 /nfs/dbraw/zinc/35/32/84/322353284.db2.gz IUSQBDYANLGPIV-UHFFFAOYSA-N 1 3 336.484 0.854 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000564347168 322372007 /nfs/dbraw/zinc/37/20/07/322372007.db2.gz GUGHQIAJJAODRF-QPSCCSFWSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000564347168 322372010 /nfs/dbraw/zinc/37/20/10/322372010.db2.gz GUGHQIAJJAODRF-QPSCCSFWSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)c2cn(CCC[NH3+])nn2)C[C@H](C)O1 ZINC000564731264 322390353 /nfs/dbraw/zinc/39/03/53/322390353.db2.gz CSURSHLEPRTWQJ-OKILXGFUSA-N 1 3 338.456 0.246 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000570697551 322697063 /nfs/dbraw/zinc/69/70/63/322697063.db2.gz VKFWQWXREYLFJF-IRXDYDNUSA-N 1 3 346.475 0.473 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000573983186 322771335 /nfs/dbraw/zinc/77/13/35/322771335.db2.gz MZSVKRXAQKNZSS-PMPSAXMXSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)(CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000575733283 322795297 /nfs/dbraw/zinc/79/52/97/322795297.db2.gz RMZSSSHRDMAXOB-MRXNPFEDSA-N 1 3 337.512 0.940 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000576036551 322800605 /nfs/dbraw/zinc/80/06/05/322800605.db2.gz WUHQDBMWBRSQSS-JKSUJKDBSA-N 1 3 338.496 0.907 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000577597297 322840091 /nfs/dbraw/zinc/84/00/91/322840091.db2.gz DBWDILDUFZEUNM-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000580302491 322921264 /nfs/dbraw/zinc/92/12/64/322921264.db2.gz VYHQKKVXQUUIMG-GJZGRUSLSA-N 1 3 336.480 0.386 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)NCCN(CC)CC)CC1 ZINC000339585869 517583323 /nfs/dbraw/zinc/58/33/23/517583323.db2.gz BIECDXYVTJSKQJ-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000556797114 517929031 /nfs/dbraw/zinc/92/90/31/517929031.db2.gz WKYIQINZTZVNBT-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO CC(C)[C@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000236718635 535046314 /nfs/dbraw/zinc/04/63/14/535046314.db2.gz PHQAZKVQEOFLNG-INIZCTEOSA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000333905408 546064484 /nfs/dbraw/zinc/06/44/84/546064484.db2.gz JRQJGLYLFDSWII-GOSISDBHSA-N 1 3 337.512 0.798 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000342997836 546090775 /nfs/dbraw/zinc/09/07/75/546090775.db2.gz XALXDAXPUCDHIP-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000343014467 546092732 /nfs/dbraw/zinc/09/27/32/546092732.db2.gz OPQZYJYBSUXFMG-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO CN(CCC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccncc1 ZINC000620480574 546432989 /nfs/dbraw/zinc/43/29/89/546432989.db2.gz GJVWAFOZOMKPLA-QGZVFWFLSA-N 1 3 332.448 0.966 20 0 ECADHO CN(CCC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccncc1 ZINC000620480574 546432992 /nfs/dbraw/zinc/43/29/92/546432992.db2.gz GJVWAFOZOMKPLA-QGZVFWFLSA-N 1 3 332.448 0.966 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)N1CCCCC1 ZINC000621837849 546571121 /nfs/dbraw/zinc/57/11/21/546571121.db2.gz RQQJXDLRQRPLPA-KDOFPFPSSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1C[C@@H](CCNc2nc(N)nc(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000624061203 546874419 /nfs/dbraw/zinc/87/44/19/546874419.db2.gz XEFRAILDLSIGPB-TZMCWYRMSA-N 1 3 327.436 0.831 20 0 ECADHO C[C@@H]1C[C@@H](CCNc2nc(N)nc(N)n2)C[N@H+]1Cc1ccccc1 ZINC000624061203 546874425 /nfs/dbraw/zinc/87/44/25/546874425.db2.gz XEFRAILDLSIGPB-TZMCWYRMSA-N 1 3 327.436 0.831 20 0 ECADHO Nc1nc(N)nc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000624234016 546893159 /nfs/dbraw/zinc/89/31/59/546893159.db2.gz NPNBRICIGJFZMF-CQSZACIVSA-N 1 3 327.436 0.833 20 0 ECADHO Nc1nc(N)nc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000624234016 546893160 /nfs/dbraw/zinc/89/31/60/546893160.db2.gz NPNBRICIGJFZMF-CQSZACIVSA-N 1 3 327.436 0.833 20 0 ECADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000625460535 547107092 /nfs/dbraw/zinc/10/70/92/547107092.db2.gz PLRSLPPTNSHFMK-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000667264236 547492181 /nfs/dbraw/zinc/49/21/81/547492181.db2.gz GVABYRYZNRTLSB-HNNXBMFYSA-N 1 3 348.447 0.824 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000668362162 547634630 /nfs/dbraw/zinc/63/46/30/547634630.db2.gz RMULZVDECKYLIL-OAHLLOKOSA-N 1 3 338.496 0.964 20 0 ECADHO CCN(C(=O)C(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCN(CC)C1 ZINC000668362346 547634813 /nfs/dbraw/zinc/63/48/13/547634813.db2.gz XOMGTSXZMQXIDD-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000668398597 547646986 /nfs/dbraw/zinc/64/69/86/547646986.db2.gz JMOQGFZRPVMALC-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000668535461 547680760 /nfs/dbraw/zinc/68/07/60/547680760.db2.gz GPPLIHWEEYOJIS-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000668542769 547681564 /nfs/dbraw/zinc/68/15/64/547681564.db2.gz CHGVMUCBFFIYOE-ILXRZTDVSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000668542769 547681568 /nfs/dbraw/zinc/68/15/68/547681568.db2.gz CHGVMUCBFFIYOE-ILXRZTDVSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668797329 547751952 /nfs/dbraw/zinc/75/19/52/547751952.db2.gz ZYLAUNGLZGPBEX-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668797329 547751957 /nfs/dbraw/zinc/75/19/57/547751957.db2.gz ZYLAUNGLZGPBEX-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000669122156 547833525 /nfs/dbraw/zinc/83/35/25/547833525.db2.gz LRIGLEFCPPONEL-FHERZECASA-N 1 3 336.480 0.720 20 0 ECADHO CC1CC[NH+](CCNC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC000669303706 547872334 /nfs/dbraw/zinc/87/23/34/547872334.db2.gz IANMGMSLOZOJGI-MRXNPFEDSA-N 1 3 349.483 0.815 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670983085 548075643 /nfs/dbraw/zinc/07/56/43/548075643.db2.gz DBZOXNVRMDVBIQ-MRXNPFEDSA-N 1 3 336.480 0.435 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670983085 548075646 /nfs/dbraw/zinc/07/56/46/548075646.db2.gz DBZOXNVRMDVBIQ-MRXNPFEDSA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000671170017 548103911 /nfs/dbraw/zinc/10/39/11/548103911.db2.gz CYQNOXILTFLWGK-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO C[N@@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H]2CCC[C@H]21 ZINC000671746703 548226230 /nfs/dbraw/zinc/22/62/30/548226230.db2.gz YZSOXFFPVNLNQR-OWCLPIDISA-N 1 3 344.525 0.026 20 0 ECADHO C[N@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H]2CCC[C@H]21 ZINC000671746703 548226235 /nfs/dbraw/zinc/22/62/35/548226235.db2.gz YZSOXFFPVNLNQR-OWCLPIDISA-N 1 3 344.525 0.026 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000672693819 548371768 /nfs/dbraw/zinc/37/17/68/548371768.db2.gz ZWXPYEWOYXLXJM-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000672693819 548371774 /nfs/dbraw/zinc/37/17/74/548371774.db2.gz ZWXPYEWOYXLXJM-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000672697588 548374309 /nfs/dbraw/zinc/37/43/09/548374309.db2.gz ZKWVEWDSCPHTEW-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000672697588 548374310 /nfs/dbraw/zinc/37/43/10/548374310.db2.gz ZKWVEWDSCPHTEW-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676089581 548788172 /nfs/dbraw/zinc/78/81/72/548788172.db2.gz HRENADRCEOMDKD-UHFFFAOYSA-N 1 3 338.456 0.230 20 0 ECADHO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676089581 548788175 /nfs/dbraw/zinc/78/81/75/548788175.db2.gz HRENADRCEOMDKD-UHFFFAOYSA-N 1 3 338.456 0.230 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000680010961 549144014 /nfs/dbraw/zinc/14/40/14/549144014.db2.gz PWXBMIHRCSWISH-CVEARBPZSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000680010961 549144019 /nfs/dbraw/zinc/14/40/19/549144019.db2.gz PWXBMIHRCSWISH-CVEARBPZSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680010961 549144022 /nfs/dbraw/zinc/14/40/22/549144022.db2.gz PWXBMIHRCSWISH-CVEARBPZSA-N 1 3 338.496 0.239 20 0 ECADHO COC1CCN(CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000751093850 579363376 /nfs/dbraw/zinc/36/33/76/579363376.db2.gz GPFKVVUVNYNIDA-HOCLYGCPSA-N 1 3 340.468 0.260 20 0 ECADHO COC1CCN(CCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000751093850 579363377 /nfs/dbraw/zinc/36/33/77/579363377.db2.gz GPFKVVUVNYNIDA-HOCLYGCPSA-N 1 3 340.468 0.260 20 0 ECADHO C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC1(C)OCCO1 ZINC000758858039 579483037 /nfs/dbraw/zinc/48/30/37/579483037.db2.gz KMNOIHVAHBFUBR-HNNXBMFYSA-N 1 3 344.500 0.910 20 0 ECADHO CS[C@@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1N(C)C ZINC000759986635 579501701 /nfs/dbraw/zinc/50/17/01/579501701.db2.gz JZBYJLWUUFYTRM-ZIAGYGMSSA-N 1 3 340.497 0.954 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000793718245 578937370 /nfs/dbraw/zinc/93/73/70/578937370.db2.gz NKJYUWLVHXWHFK-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000774182312 579242345 /nfs/dbraw/zinc/24/23/45/579242345.db2.gz YMZIDFHAANJSQI-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000774182312 579242347 /nfs/dbraw/zinc/24/23/47/579242347.db2.gz YMZIDFHAANJSQI-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000842014537 589008320 /nfs/dbraw/zinc/00/83/20/589008320.db2.gz CMBZRCVOHIVAJL-FXUDXRNXSA-N 1 3 336.480 0.481 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842252241 589024384 /nfs/dbraw/zinc/02/43/84/589024384.db2.gz ZOOMQWQWVUNVJP-MRXNPFEDSA-N 1 3 334.464 0.806 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000891535202 586174355 /nfs/dbraw/zinc/17/43/55/586174355.db2.gz HZHJFTZFRMXCJS-HNNXBMFYSA-N 1 3 339.484 0.452 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000891577402 586178926 /nfs/dbraw/zinc/17/89/26/586178926.db2.gz ROJUWXDHYSXMOS-SJORKVTESA-N 1 3 334.464 0.966 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891766619 586195465 /nfs/dbraw/zinc/19/54/65/586195465.db2.gz VFHXRPQDPSFQND-YESZJQIVSA-N 1 3 330.432 0.509 20 0 ECADHO COCC1(CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CC[NH2+]CC1 ZINC000892115598 586222591 /nfs/dbraw/zinc/22/25/91/586222591.db2.gz ODLBMTNMIRBZIO-AWEZNQCLSA-N 1 3 342.484 0.147 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000892262740 586239701 /nfs/dbraw/zinc/23/97/01/586239701.db2.gz VWIHKLKGIMPJKL-UHFFFAOYSA-N 1 3 349.479 0.254 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892360900 586258258 /nfs/dbraw/zinc/25/82/58/586258258.db2.gz SBHURAWTZZXIMX-JYJNAYRXSA-N 1 3 326.485 0.957 20 0 ECADHO CCO[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C[NH+](C)C ZINC000896682761 586266685 /nfs/dbraw/zinc/26/66/85/586266685.db2.gz NOILXBTYWBSYQX-PMPSAXMXSA-N 1 3 342.484 0.194 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892456666 586267016 /nfs/dbraw/zinc/26/70/16/586267016.db2.gz UWLJXJXSNVBKFD-UHFFFAOYSA-N 1 3 325.457 0.014 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892490018 586269324 /nfs/dbraw/zinc/26/93/24/586269324.db2.gz OFQDJKKGZSITCU-OAHLLOKOSA-N 1 3 327.517 0.899 20 0 ECADHO C[C@@H]1CC[N@H+](CCNC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000897445978 586323874 /nfs/dbraw/zinc/32/38/74/586323874.db2.gz QGLKMMRCKIDNAB-MRXNPFEDSA-N 1 3 325.501 0.607 20 0 ECADHO C[C@@H]1CC[N@@H+](CCNC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000897445978 586323877 /nfs/dbraw/zinc/32/38/77/586323877.db2.gz QGLKMMRCKIDNAB-MRXNPFEDSA-N 1 3 325.501 0.607 20 0 ECADHO C[C@H]1CCCN1CCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000897483068 586331571 /nfs/dbraw/zinc/33/15/71/586331571.db2.gz IMMYLOWGRZOGGG-HNNXBMFYSA-N 1 3 326.485 0.959 20 0 ECADHO C[C@H]1CCCN1CCNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000897483068 586331573 /nfs/dbraw/zinc/33/15/73/586331573.db2.gz IMMYLOWGRZOGGG-HNNXBMFYSA-N 1 3 326.485 0.959 20 0 ECADHO COCCN(C)S(=O)(=O)[C@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000894006787 586369994 /nfs/dbraw/zinc/36/99/94/586369994.db2.gz YQYWICIADCWYRT-INIZCTEOSA-N 1 3 347.525 0.701 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894521337 586397528 /nfs/dbraw/zinc/39/75/28/586397528.db2.gz NKOGOUUOMBRIHM-BZUAXINKSA-N 1 3 326.485 0.957 20 0 ECADHO C=CC(=O)N(CC)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000900481998 586635170 /nfs/dbraw/zinc/63/51/70/586635170.db2.gz WRVKRKJEHFRGKA-MRXNPFEDSA-N 1 3 338.496 0.895 20 0 ECADHO C=CC(=O)N(CC)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000900481998 586635171 /nfs/dbraw/zinc/63/51/71/586635171.db2.gz WRVKRKJEHFRGKA-MRXNPFEDSA-N 1 3 338.496 0.895 20 0 ECADHO CN(C(=O)[C@]1(C)C[C@@H](O)CN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900668667 586653031 /nfs/dbraw/zinc/65/30/31/586653031.db2.gz FJNOMJWSQSNVJP-JZXOWHBKSA-N 1 3 338.496 0.068 20 0 ECADHO CN(C(=O)[C@]1(C)C[C@@H](O)CN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900668667 586653032 /nfs/dbraw/zinc/65/30/32/586653032.db2.gz FJNOMJWSQSNVJP-JZXOWHBKSA-N 1 3 338.496 0.068 20 0 ECADHO CN(C(=O)[C@]1(C)C[C@@H](O)CN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900668667 586653034 /nfs/dbraw/zinc/65/30/34/586653034.db2.gz FJNOMJWSQSNVJP-JZXOWHBKSA-N 1 3 338.496 0.068 20 0 ECADHO C[C@@H]([NH2+]CC1(N)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000902415052 586738181 /nfs/dbraw/zinc/73/81/81/586738181.db2.gz KCZYLPLBARQAHP-CYBMUJFWSA-N 1 3 339.461 0.849 20 0 ECADHO CCOC(=O)N1CCC(NC(=O)CN(C)C2CCC([NH3+])CC2)CC1 ZINC000843355657 589063541 /nfs/dbraw/zinc/06/35/41/589063541.db2.gz ZVXVCCXHPJBCEJ-UHFFFAOYSA-N 1 3 340.468 0.925 20 0 ECADHO CCC[C@H](C)NC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492266 586779618 /nfs/dbraw/zinc/77/96/18/586779618.db2.gz KUGKWQFCIBQUSE-TVRNETQVSA-N 1 3 325.453 0.892 20 0 ECADHO COC[C@@H]1CCN(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)C1 ZINC000903562823 586786501 /nfs/dbraw/zinc/78/65/01/586786501.db2.gz VUHPTXHZIWDYFD-OIISXLGYSA-N 1 3 336.480 0.975 20 0 ECADHO COC[C@@H]1CCN(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)C1 ZINC000903562823 586786503 /nfs/dbraw/zinc/78/65/03/586786503.db2.gz VUHPTXHZIWDYFD-OIISXLGYSA-N 1 3 336.480 0.975 20 0 ECADHO CC(C)OCCOC[C@@H](O)CN(C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903726743 586802398 /nfs/dbraw/zinc/80/23/98/586802398.db2.gz NYZWSWQVANWKJD-IRXDYDNUSA-N 1 3 344.496 0.879 20 0 ECADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)C1 ZINC000903754237 586811755 /nfs/dbraw/zinc/81/17/55/586811755.db2.gz CESLMDSJZZRCIB-CABCVRRESA-N 1 3 336.480 0.372 20 0 ECADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)C1 ZINC000903754237 586811757 /nfs/dbraw/zinc/81/17/57/586811757.db2.gz CESLMDSJZZRCIB-CABCVRRESA-N 1 3 336.480 0.372 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C[C@@H]1N ZINC000903779193 586814602 /nfs/dbraw/zinc/81/46/02/586814602.db2.gz WSYOYLAPMXDDOR-AWEZNQCLSA-N 1 3 345.447 0.362 20 0 ECADHO Cc1c(C[C@H](CN)C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cnn1C ZINC000903900118 586824189 /nfs/dbraw/zinc/82/41/89/586824189.db2.gz YRLLILQYUPHXHH-OIISXLGYSA-N 1 3 333.480 0.837 20 0 ECADHO Cc1c(C[C@H](CN)C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cnn1C ZINC000903900118 586824190 /nfs/dbraw/zinc/82/41/90/586824190.db2.gz YRLLILQYUPHXHH-OIISXLGYSA-N 1 3 333.480 0.837 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cnn1C ZINC000903900118 586824192 /nfs/dbraw/zinc/82/41/92/586824192.db2.gz YRLLILQYUPHXHH-OIISXLGYSA-N 1 3 333.480 0.837 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(N2CCNCC2)o1 ZINC000904351623 586835608 /nfs/dbraw/zinc/83/56/08/586835608.db2.gz ZUFMPOCIGLDAEH-HNNXBMFYSA-N 1 3 349.479 0.509 20 0 ECADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32CN)CC1 ZINC000905005496 586858045 /nfs/dbraw/zinc/85/80/45/586858045.db2.gz FEFASFCHPFQHSN-QAPCUYQASA-N 1 3 336.480 0.517 20 0 ECADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32CN)C1 ZINC000905004933 586858290 /nfs/dbraw/zinc/85/82/90/586858290.db2.gz CKWOXCUSIUYSDK-FRQCXROJSA-N 1 3 348.491 0.517 20 0 ECADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32CN)C1 ZINC000905004933 586858293 /nfs/dbraw/zinc/85/82/93/586858293.db2.gz CKWOXCUSIUYSDK-FRQCXROJSA-N 1 3 348.491 0.517 20 0 ECADHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@@H](O)C2(O)CCCC2)c1 ZINC000905090724 586868201 /nfs/dbraw/zinc/86/82/01/586868201.db2.gz YTCRABVAAFWZIS-QGZVFWFLSA-N 1 3 349.475 0.734 20 0 ECADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)C1(O)CCOCC1 ZINC000905193480 586875804 /nfs/dbraw/zinc/87/58/04/586875804.db2.gz CMJUXHPEFGQRMZ-KRWDZBQOSA-N 1 3 335.448 0.790 20 0 ECADHO COc1cccc([C@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)N(C)C)c1 ZINC000905392925 586892330 /nfs/dbraw/zinc/89/23/30/586892330.db2.gz RENJSSCCCGEXHV-SFHVURJKSA-N 1 3 348.491 0.908 20 0 ECADHO COc1cccc([C@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)N(C)C)c1 ZINC000905392925 586892331 /nfs/dbraw/zinc/89/23/31/586892331.db2.gz RENJSSCCCGEXHV-SFHVURJKSA-N 1 3 348.491 0.908 20 0 ECADHO CN1C(=O)CCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000906465942 586950054 /nfs/dbraw/zinc/95/00/54/586950054.db2.gz NHZZTNBLOGXUDB-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)CO[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000844174510 589099023 /nfs/dbraw/zinc/09/90/23/589099023.db2.gz HZKJOBLLNUVKAD-OAGGEKHMSA-N 1 3 327.469 0.761 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NOCC[NH+](C)C)ccc2[nH]c1=O ZINC000823255064 587712349 /nfs/dbraw/zinc/71/23/49/587712349.db2.gz LYXZHEGHFAPOGC-UHFFFAOYSA-N 1 3 335.408 0.527 20 0 ECADHO CN(C)CCN(C)C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845697309 589166965 /nfs/dbraw/zinc/16/69/65/589166965.db2.gz DTJYGCZNLOAPMO-ZDUSSCGKSA-N 1 3 330.473 0.851 20 0 ECADHO CN(C)CCN(C)C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845697306 589167029 /nfs/dbraw/zinc/16/70/29/589167029.db2.gz DTJYGCZNLOAPMO-CYBMUJFWSA-N 1 3 330.473 0.851 20 0 ECADHO CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000849111591 589320653 /nfs/dbraw/zinc/32/06/53/589320653.db2.gz WICSEZJJDLKDDG-CHWSQXEVSA-N 1 3 341.456 0.488 20 0 ECADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(OCCOC)CCOCC1 ZINC000849112797 589320877 /nfs/dbraw/zinc/32/08/77/589320877.db2.gz CTPRTTNNBBGKAG-OAHLLOKOSA-N 1 3 342.484 0.797 20 0 ECADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NC[C@H](C2CC2)[NH+](C)C)cn1 ZINC000849506166 589338395 /nfs/dbraw/zinc/33/83/95/589338395.db2.gz VBTAHXZHGHPZEB-YESZJQIVSA-N 1 3 333.480 0.912 20 0 ECADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCNc2cc[nH+]cc2)cn1 ZINC000849611226 589343462 /nfs/dbraw/zinc/34/34/62/589343462.db2.gz VGUQHRSXNZNCQY-DLBZAZTESA-N 1 3 342.447 0.501 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000850866959 589388759 /nfs/dbraw/zinc/38/87/59/589388759.db2.gz HKZDILHSJUJUIJ-CQSZACIVSA-N 1 3 347.463 0.491 20 0 ECADHO NC[C@@H]1CC(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)=NO1 ZINC000852796702 589512331 /nfs/dbraw/zinc/51/23/31/589512331.db2.gz STVMPIJRWQQNCO-KBPBESRZSA-N 1 3 346.387 0.638 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852863867 589519649 /nfs/dbraw/zinc/51/96/49/589519649.db2.gz SOSZQRUXOPYBDQ-KFWWJZLASA-N 1 3 337.468 0.107 20 0 ECADHO O=C(N[C@@H]1CNCCC1(F)F)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000852881595 589521508 /nfs/dbraw/zinc/52/15/08/589521508.db2.gz NFJLETHNBDDPGG-CMPLNLGQSA-N 1 3 328.367 0.320 20 0 ECADHO O=C(N[C@H]1CNCCC1(F)F)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000852881597 589521522 /nfs/dbraw/zinc/52/15/22/589521522.db2.gz NFJLETHNBDDPGG-PWSUYJOCSA-N 1 3 328.367 0.320 20 0 ECADHO [NH3+][C@H](CC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000852930239 589527226 /nfs/dbraw/zinc/52/72/26/589527226.db2.gz HEEWMAHVUMEMRF-HUUCEWRRSA-N 1 3 346.479 0.653 20 0 ECADHO CCOC(=O)[C@@H]1NCC[C@@H]1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000854216620 589575122 /nfs/dbraw/zinc/57/51/22/589575122.db2.gz BHNZAJWLGZXCNZ-DLBZAZTESA-N 1 3 339.480 0.761 20 0 ECADHO COc1ccc([C@H](CN)C[NH+]2CCC(C(=O)NCCO)CC2)cc1 ZINC000866686631 589758666 /nfs/dbraw/zinc/75/86/66/589758666.db2.gz KKNGBGFISCZEMR-MRXNPFEDSA-N 1 3 335.448 0.558 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000861772711 589890617 /nfs/dbraw/zinc/89/06/17/589890617.db2.gz YPCSKLDVGFOLIW-WMLDXEAASA-N 1 3 346.475 0.819 20 0 ECADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000868308693 589891322 /nfs/dbraw/zinc/89/13/22/589891322.db2.gz CNNMKUBTMZPTLF-ZBFHGGJFSA-N 1 3 330.432 0.945 20 0 ECADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000868308693 589891324 /nfs/dbraw/zinc/89/13/24/589891324.db2.gz CNNMKUBTMZPTLF-ZBFHGGJFSA-N 1 3 330.432 0.945 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868367766 589897354 /nfs/dbraw/zinc/89/73/54/589897354.db2.gz WBXQLQWIMMWNAA-SFHVURJKSA-N 1 3 338.496 0.764 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)C2)C1 ZINC000868417359 589904483 /nfs/dbraw/zinc/90/44/83/589904483.db2.gz DTDWXNAXAZBFSJ-VKJFTORMSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H](C(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1)[C@H](C)S(C)(=O)=O ZINC000870018523 589989843 /nfs/dbraw/zinc/98/98/43/589989843.db2.gz CBNQDTLCDPHXLB-BYNSBNAKSA-N 1 3 347.525 0.253 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](O)[C@H](C)O)CC2)CC1 ZINC000871138170 590050940 /nfs/dbraw/zinc/05/09/40/590050940.db2.gz LUQCIGGXXSHCDW-XJKSGUPXSA-N 1 3 327.469 0.041 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000888561061 590055295 /nfs/dbraw/zinc/05/52/95/590055295.db2.gz JOSMQFWROJCBNO-CABCVRRESA-N 1 3 339.484 0.622 20 0 ECADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000872146420 590098097 /nfs/dbraw/zinc/09/80/97/590098097.db2.gz NCEPBCRVTBTNRC-DLTWYDFYSA-N 1 3 327.469 0.089 20 0 ECADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000872146420 590098098 /nfs/dbraw/zinc/09/80/98/590098098.db2.gz NCEPBCRVTBTNRC-DLTWYDFYSA-N 1 3 327.469 0.089 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872188239 590100571 /nfs/dbraw/zinc/10/05/71/590100571.db2.gz SDFDOLQGODSCKT-QIIPPGSGSA-N 1 3 336.480 0.243 20 0 ECADHO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000872197054 590103404 /nfs/dbraw/zinc/10/34/04/590103404.db2.gz VNGUFAUBGNOOBM-UHFFFAOYSA-N 1 3 326.485 0.908 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000865177222 590129118 /nfs/dbraw/zinc/12/91/18/590129118.db2.gz BNUTVOJITSOERM-NEPJUHHUSA-N 1 3 341.374 0.285 20 0 ECADHO CN1CCC[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865183375 590130396 /nfs/dbraw/zinc/13/03/96/590130396.db2.gz DKBJHPNSINJCPE-OLZOCXBDSA-N 1 3 328.457 0.652 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000875021604 590263326 /nfs/dbraw/zinc/26/33/26/590263326.db2.gz LPHZTBSGSXHEOU-CJNGLKHVSA-N 1 3 334.464 0.282 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000875021604 590263328 /nfs/dbraw/zinc/26/33/28/590263328.db2.gz LPHZTBSGSXHEOU-CJNGLKHVSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1)N(C)C1CC1 ZINC000875172235 590278095 /nfs/dbraw/zinc/27/80/95/590278095.db2.gz XOQVLNXEPMMLSP-VNSJNIRKSA-N 1 3 338.496 0.964 20 0 ECADHO CN(C)C[C@H](N)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876518965 590384520 /nfs/dbraw/zinc/38/45/20/590384520.db2.gz ODPHRKHJBQKLTJ-HNNXBMFYSA-N 1 3 334.420 0.423 20 0 ECADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000876757914 590410412 /nfs/dbraw/zinc/41/04/12/590410412.db2.gz GACUCAJTPOWIEK-ATQQARJTSA-N 1 3 336.480 0.457 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876880796 590422507 /nfs/dbraw/zinc/42/25/07/590422507.db2.gz NBAKCBRMKFUYSH-KBPBESRZSA-N 1 3 329.416 0.325 20 0 ECADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cn(CC[NH3+])nn1 ZINC000877031542 590435201 /nfs/dbraw/zinc/43/52/01/590435201.db2.gz XNVAVOXUJZCJDW-RHSMWYFYSA-N 1 3 340.431 0.993 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)CC3CC[NH2+]CC3)c2)nn1 ZINC000877207914 590445322 /nfs/dbraw/zinc/44/53/22/590445322.db2.gz MLPJCWCUKLUUHL-UHFFFAOYSA-N 1 3 328.420 0.732 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1Cc2ccccc2CN1 ZINC000877343097 590459289 /nfs/dbraw/zinc/45/92/89/590459289.db2.gz ILLRPCJBBXEJTK-HZPDHXFCSA-N 1 3 330.432 0.075 20 0 ECADHO Cc1c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)nnn1C1CC[NH2+]CC1 ZINC000877451216 590466124 /nfs/dbraw/zinc/46/61/24/590466124.db2.gz LPACDVQRRNLHGH-CABCVRRESA-N 1 3 332.452 0.820 20 0 ECADHO CN1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000878491479 590524610 /nfs/dbraw/zinc/52/46/10/590524610.db2.gz LXKWMEBWBQFOBK-DLBZAZTESA-N 1 3 338.496 0.430 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCC3(CC2)CC[NH+](C)CC3)C1=O ZINC000879250459 590573990 /nfs/dbraw/zinc/57/39/90/590573990.db2.gz FIYUKXTVCGMCDS-HNNXBMFYSA-N 1 3 337.464 0.958 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC000883639440 590637617 /nfs/dbraw/zinc/63/76/17/590637617.db2.gz PKJWBVHXMFYBOC-SOUVJXGZSA-N 1 3 345.447 0.314 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884893553 590644203 /nfs/dbraw/zinc/64/42/03/590644203.db2.gz ICFXXUFKHXTTPQ-IRXDYDNUSA-N 1 3 346.475 0.615 20 0 ECADHO C[NH2+]CCOc1ccccc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000884208001 590776100 /nfs/dbraw/zinc/77/61/00/590776100.db2.gz MSJGRHUZVYGDSV-GJZGRUSLSA-N 1 3 333.432 0.878 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884212344 590777081 /nfs/dbraw/zinc/77/70/81/590777081.db2.gz CAXWJOWLBWTKQE-MRXNPFEDSA-N 1 3 329.448 0.705 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884300990 590798710 /nfs/dbraw/zinc/79/87/10/590798710.db2.gz MFVBQNZIYUWJNS-IAGOWNOFSA-N 1 3 343.475 0.953 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000884291367 590799117 /nfs/dbraw/zinc/79/91/17/590799117.db2.gz WUNORJTWSKOWAT-QGZVFWFLSA-N 1 3 343.475 0.953 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccnc(N2CCNCC2)c1 ZINC000884371212 590814940 /nfs/dbraw/zinc/81/49/40/590814940.db2.gz IKBPUYXYNIFLMZ-HNNXBMFYSA-N 1 3 329.448 0.896 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000884486206 590840958 /nfs/dbraw/zinc/84/09/58/590840958.db2.gz QMLWIXMQLZXZAT-ZFWWWQNUSA-N 1 3 348.447 0.191 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000884503143 590845290 /nfs/dbraw/zinc/84/52/90/590845290.db2.gz CCZZNWIBSXWBNC-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884503135 590845370 /nfs/dbraw/zinc/84/53/70/590845370.db2.gz BXHZWPRDTPRYQL-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000884518719 590849150 /nfs/dbraw/zinc/84/91/50/590849150.db2.gz YDJFNJZOVYPHLX-HIFRSBDPSA-N 1 3 348.447 0.191 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884664711 590885803 /nfs/dbraw/zinc/88/58/03/590885803.db2.gz SPVQTXOPDLZHSG-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000884680922 590891631 /nfs/dbraw/zinc/89/16/31/590891631.db2.gz FUIAUKOQIVVECT-GJZGRUSLSA-N 1 3 345.447 0.235 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884716965 590906866 /nfs/dbraw/zinc/90/68/66/590906866.db2.gz OGJCMGWPHUGLJU-IIAWOOMASA-N 1 3 345.447 0.233 20 0 ECADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886957811 590908513 /nfs/dbraw/zinc/90/85/13/590908513.db2.gz ZZWVPQTVEBZNPT-NSHDSACASA-N 1 3 330.383 0.811 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884722730 590909841 /nfs/dbraw/zinc/90/98/41/590909841.db2.gz JEABYOVONALRCH-ZIAGYGMSSA-N 1 3 333.436 0.233 20 0 ECADHO CCN(C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000886994001 590914913 /nfs/dbraw/zinc/91/49/13/590914913.db2.gz OOIZJGPUCWBSDU-HNNXBMFYSA-N 1 3 348.447 0.776 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N(C)CCN ZINC000884834589 590931673 /nfs/dbraw/zinc/93/16/73/590931673.db2.gz ZJGFWWJMRJNBRQ-ZBFHGGJFSA-N 1 3 332.448 0.288 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N(C)CCN ZINC000884834589 590931677 /nfs/dbraw/zinc/93/16/77/590931677.db2.gz ZJGFWWJMRJNBRQ-ZBFHGGJFSA-N 1 3 332.448 0.288 20 0 ECADHO CCN(C(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000887070033 590937982 /nfs/dbraw/zinc/93/79/82/590937982.db2.gz CNXZUXGGYRWYSW-GOEBONIOSA-N 1 3 345.447 0.329 20 0 ECADHO OC1(Cc2cn(CCCN3CCSCC3)nn2)CC[NH2+]CC1 ZINC000887415841 590966477 /nfs/dbraw/zinc/96/64/77/590966477.db2.gz YDRBZVMASGCOJW-UHFFFAOYSA-N 1 3 325.482 0.374 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000930490982 611434451 /nfs/dbraw/zinc/43/44/51/611434451.db2.gz JUTFWAALHVBELT-UKRRQHHQSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800827 611490241 /nfs/dbraw/zinc/49/02/41/611490241.db2.gz MZRMYDGYHFZZCJ-SOUVJXGZSA-N 1 3 347.463 0.599 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800827 611490244 /nfs/dbraw/zinc/49/02/44/611490244.db2.gz MZRMYDGYHFZZCJ-SOUVJXGZSA-N 1 3 347.463 0.599 20 0 ECADHO NC(=O)c1cn(CCCC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)nn1 ZINC000925690436 611495117 /nfs/dbraw/zinc/49/51/17/611495117.db2.gz JWWGUFOHIMVLMU-LSDHHAIUSA-N 1 3 334.468 0.915 20 0 ECADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nnc2c(=O)n(C)ccn12 ZINC000925773049 611499663 /nfs/dbraw/zinc/49/96/63/611499663.db2.gz LUHNTDFYUGMNBM-KGLIPLIRSA-N 1 3 332.452 0.871 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000926294238 611532171 /nfs/dbraw/zinc/53/21/71/611532171.db2.gz SOWVQIPHMJEYSC-LSDHHAIUSA-N 1 3 326.485 0.476 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC[C@H]1C[NH3+] ZINC000926334759 611536746 /nfs/dbraw/zinc/53/67/46/611536746.db2.gz UGDVAFIVBIYBLR-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO CCO[C@@H](CNC(=O)NC[C@H]1CCN1C1CCOCC1)C[NH+](C)C ZINC000926849676 611572786 /nfs/dbraw/zinc/57/27/86/611572786.db2.gz FGYHAHVHYBWNCY-CVEARBPZSA-N 1 3 342.484 0.506 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CC1 ZINC000933697316 608768984 /nfs/dbraw/zinc/76/89/84/608768984.db2.gz GCQQSGGOIGKKFQ-CVEARBPZSA-N 1 3 346.541 0.259 20 0 ECADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CC1 ZINC000933697316 608768986 /nfs/dbraw/zinc/76/89/86/608768986.db2.gz GCQQSGGOIGKKFQ-CVEARBPZSA-N 1 3 346.541 0.259 20 0 ECADHO C[C@@H](Cc1cccnc1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000933743991 608771183 /nfs/dbraw/zinc/77/11/83/608771183.db2.gz SATKDKKMVYUOFF-HNNXBMFYSA-N 1 3 349.479 0.081 20 0 ECADHO CCN1CCN(CC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000928097023 611673472 /nfs/dbraw/zinc/67/34/72/611673472.db2.gz ULCNAMVUZFQIOV-GJZGRUSLSA-N 1 3 326.510 0.320 20 0 ECADHO CCN1CCN(CC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000928097023 611673475 /nfs/dbraw/zinc/67/34/75/611673475.db2.gz ULCNAMVUZFQIOV-GJZGRUSLSA-N 1 3 326.510 0.320 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936336976 609081330 /nfs/dbraw/zinc/08/13/30/609081330.db2.gz MRHINMYHOIDJLJ-HUUCEWRRSA-N 1 3 347.463 0.791 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936336976 609081334 /nfs/dbraw/zinc/08/13/34/609081334.db2.gz MRHINMYHOIDJLJ-HUUCEWRRSA-N 1 3 347.463 0.791 20 0 ECADHO CN(CCC(=O)NCC(=O)NCCN1CCCCC1)c1cc[nH+]cc1 ZINC000909322330 609082280 /nfs/dbraw/zinc/08/22/80/609082280.db2.gz WQFDDOIGFBAMQT-UHFFFAOYSA-N 1 3 347.463 0.626 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907806872 609620403 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348.491 0.088 20 0 ECADHO O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941414363 610303281 /nfs/dbraw/zinc/30/32/81/610303281.db2.gz RSBRIUULLCXLIL-FUHWJXTLSA-N 1 3 348.491 0.088 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CCC1 ZINC000940621781 610313806 /nfs/dbraw/zinc/31/38/06/610313806.db2.gz GYPGVADZZKXZDM-CVEARBPZSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC000941490469 610340041 /nfs/dbraw/zinc/34/00/41/610340041.db2.gz TWMNLHXNFKXJFF-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000941672672 610445944 /nfs/dbraw/zinc/44/59/44/610445944.db2.gz NTACIXAMWOFYRQ-AWEZNQCLSA-N 1 3 333.436 0.355 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000941672672 610445945 /nfs/dbraw/zinc/44/59/45/610445945.db2.gz NTACIXAMWOFYRQ-AWEZNQCLSA-N 1 3 333.436 0.355 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 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/nfs/dbraw/zinc/29/68/56/611296856.db2.gz QBAUIUGSJYMGGG-UXLLHSPISA-N 1 3 346.479 0.580 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]2CC1 ZINC000946518226 611296858 /nfs/dbraw/zinc/29/68/58/611296858.db2.gz QBAUIUGSJYMGGG-UXLLHSPISA-N 1 3 346.479 0.580 20 0 ECADHO C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000922145963 611339465 /nfs/dbraw/zinc/33/94/65/611339465.db2.gz YIORGMOPIKOAKZ-HNNXBMFYSA-N 1 3 328.457 0.117 20 0 ECADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc3n1CCOC3)C2 ZINC000922391077 611349551 /nfs/dbraw/zinc/34/95/51/611349551.db2.gz RNTWBPZZJPJPDQ-LMSBXDPUSA-N 1 3 334.464 0.983 20 0 ECADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc3n1CCOC3)C2 ZINC000922391077 611349553 /nfs/dbraw/zinc/34/95/53/611349553.db2.gz RNTWBPZZJPJPDQ-LMSBXDPUSA-N 1 3 334.464 0.983 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000929399469 611751093 /nfs/dbraw/zinc/75/10/93/611751093.db2.gz MWZVVKUHYIZGMD-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929402344 611751598 /nfs/dbraw/zinc/75/15/98/611751598.db2.gz HTSFUMGWXATFFU-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000929403358 611752217 /nfs/dbraw/zinc/75/22/17/611752217.db2.gz RAAYXWLLHJCOMQ-MAUKXSAKSA-N 1 3 336.480 0.245 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000929403358 611752218 /nfs/dbraw/zinc/75/22/18/611752218.db2.gz RAAYXWLLHJCOMQ-MAUKXSAKSA-N 1 3 336.480 0.245 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933845545 611753054 /nfs/dbraw/zinc/75/30/54/611753054.db2.gz RLSOWTDSJAWZGQ-OAHLLOKOSA-N 1 3 338.496 0.683 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933845545 611753057 /nfs/dbraw/zinc/75/30/57/611753057.db2.gz RLSOWTDSJAWZGQ-OAHLLOKOSA-N 1 3 338.496 0.683 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000929643175 611776525 /nfs/dbraw/zinc/77/65/25/611776525.db2.gz CSBRAFIJEZHQOS-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000934897226 611829545 /nfs/dbraw/zinc/82/95/45/611829545.db2.gz YRACOCRINZIFBB-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000934897226 611829548 /nfs/dbraw/zinc/82/95/48/611829548.db2.gz YRACOCRINZIFBB-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000951239422 612097702 /nfs/dbraw/zinc/09/77/02/612097702.db2.gz VXGPPMLUXBNURY-CABCVRRESA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000951239409 612097740 /nfs/dbraw/zinc/09/77/40/612097740.db2.gz VSQMYZDOYLPQDT-GJZGRUSLSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000952032465 612190581 /nfs/dbraw/zinc/19/05/81/612190581.db2.gz XIZHKQYFVHYFSS-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000952152068 612250864 /nfs/dbraw/zinc/25/08/64/612250864.db2.gz ZULXAKXATBSQPT-KKUMJFAQSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000952152068 612250866 /nfs/dbraw/zinc/25/08/66/612250866.db2.gz ZULXAKXATBSQPT-KKUMJFAQSA-N 1 3 347.463 0.790 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000954508930 612346574 /nfs/dbraw/zinc/34/65/74/612346574.db2.gz DXDZHDFVYGEFOG-CQSZACIVSA-N 1 3 347.463 0.599 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000954508930 612346578 /nfs/dbraw/zinc/34/65/78/612346578.db2.gz DXDZHDFVYGEFOG-CQSZACIVSA-N 1 3 347.463 0.599 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904859 612419810 /nfs/dbraw/zinc/41/98/10/612419810.db2.gz MBYWHZFBFXOLPF-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904859 612419814 /nfs/dbraw/zinc/41/98/14/612419814.db2.gz MBYWHZFBFXOLPF-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000953905221 612421145 /nfs/dbraw/zinc/42/11/45/612421145.db2.gz UHPUSGDNIHQVEQ-SJORKVTESA-N 1 3 348.491 0.624 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000955342518 612468428 /nfs/dbraw/zinc/46/84/28/612468428.db2.gz XRXAZPIOKOYRNC-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000955342518 612468433 /nfs/dbraw/zinc/46/84/33/612468433.db2.gz XRXAZPIOKOYRNC-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000955926447 612491405 /nfs/dbraw/zinc/49/14/05/612491405.db2.gz CSWNHZAJPSYSCH-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954834493 612727154 /nfs/dbraw/zinc/72/71/54/612727154.db2.gz BWTKGYHXTOFNGI-WMLDXEAASA-N 1 3 338.496 0.584 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954834493 612727156 /nfs/dbraw/zinc/72/71/56/612727156.db2.gz BWTKGYHXTOFNGI-WMLDXEAASA-N 1 3 338.496 0.584 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000956378156 612863155 /nfs/dbraw/zinc/86/31/55/612863155.db2.gz IKXOBWSDCSOOSF-ZDUSSCGKSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000956378156 612863156 /nfs/dbraw/zinc/86/31/56/612863156.db2.gz IKXOBWSDCSOOSF-ZDUSSCGKSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000954353699 612872504 /nfs/dbraw/zinc/87/25/04/612872504.db2.gz AXUNTSQKVUVDFK-WMLDXEAASA-N 1 3 348.491 0.339 20 0 ECADHO COCC[N@@H+]1CCO[C@@H]2CN(c3cc4c(nn3)CCNC4)CC[C@@H]2C1 ZINC001164860661 720865152 /nfs/dbraw/zinc/86/51/52/720865152.db2.gz WLSVXXYICXIQMA-RHSMWYFYSA-N 1 3 347.463 0.296 20 0 ECADHO COCC[N@H+]1CCO[C@@H]2CN(c3cc4c(nn3)CCNC4)CC[C@@H]2C1 ZINC001164860661 720865158 /nfs/dbraw/zinc/86/51/58/720865158.db2.gz WLSVXXYICXIQMA-RHSMWYFYSA-N 1 3 347.463 0.296 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788316 782209982 /nfs/dbraw/zinc/20/99/82/782209982.db2.gz BQXPQWJTSZJXRD-YJBOKZPZSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CC[C@H](N2CC[C@@]3(CCN(C(=O)C45CC[NH+](CC4)C5)C3)C2)C1=O ZINC001041788318 782210020 /nfs/dbraw/zinc/21/00/20/782210020.db2.gz BSAJPDKBLAPLBZ-MAUKXSAKSA-N 1 3 346.475 0.237 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972005694 735490735 /nfs/dbraw/zinc/49/07/35/735490735.db2.gz NNPTVSHZLFGODI-SJORKVTESA-N 1 3 346.479 0.685 20 0 ECADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001024985425 738462817 /nfs/dbraw/zinc/46/28/17/738462817.db2.gz QNPCRSCHLKPRCF-CABCVRRESA-N 1 3 336.480 0.720 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC001024267694 737864258 /nfs/dbraw/zinc/86/42/58/737864258.db2.gz IAYTZCMQKNHBFK-HNNXBMFYSA-N 1 3 347.463 0.909 20 0 ECADHO O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H](NCc2ccccn2)C1 ZINC000969407554 731814488 /nfs/dbraw/zinc/81/44/88/731814488.db2.gz KBFTZTHGTSNRGG-YQSWOPOKSA-N 1 3 342.443 0.635 20 0 ECADHO O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@@H](NCc2ccccn2)C1 ZINC000969407554 731814489 /nfs/dbraw/zinc/81/44/89/731814489.db2.gz KBFTZTHGTSNRGG-YQSWOPOKSA-N 1 3 342.443 0.635 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@H]3CCCN(C)C3=O)C2)CC[N@@H+]1C ZINC000969721638 732083504 /nfs/dbraw/zinc/08/35/04/732083504.db2.gz IIAKVXRLBWSJBL-JONQDZQNSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@H]3CCCN(C)C3=O)C2)CC[N@H+]1C ZINC000969721638 732083509 /nfs/dbraw/zinc/08/35/09/732083509.db2.gz IIAKVXRLBWSJBL-JONQDZQNSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001078073587 782252526 /nfs/dbraw/zinc/25/25/26/782252526.db2.gz MMWZCUPTPBPYHK-CABCVRRESA-N 1 3 338.496 0.681 20 0 ECADHO COCCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969832827 732425345 /nfs/dbraw/zinc/42/53/45/732425345.db2.gz JTCIOTIJWRZPBZ-RHSMWYFYSA-N 1 3 339.480 0.713 20 0 ECADHO COCCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832827 732425348 /nfs/dbraw/zinc/42/53/48/732425348.db2.gz JTCIOTIJWRZPBZ-RHSMWYFYSA-N 1 3 339.480 0.713 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC000969985619 732588571 /nfs/dbraw/zinc/58/85/71/732588571.db2.gz JXJLGHKVEZGLPX-KFWWJZLASA-N 1 3 345.509 0.342 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC000970146364 732974164 /nfs/dbraw/zinc/97/41/64/732974164.db2.gz LRUORDLXOVUEGC-HNKHHVNMSA-N 1 3 345.447 0.352 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC000970146364 732974166 /nfs/dbraw/zinc/97/41/66/732974166.db2.gz LRUORDLXOVUEGC-HNKHHVNMSA-N 1 3 345.447 0.352 20 0 ECADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001167225754 733069583 /nfs/dbraw/zinc/06/95/83/733069583.db2.gz ZNANXIWWTLYNSL-LSDHHAIUSA-N 1 3 336.480 0.625 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167236295 733082503 /nfs/dbraw/zinc/08/25/03/733082503.db2.gz JVPYHNQBMVMNQD-GDBMZVCRSA-N 1 3 348.495 0.872 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236295 733082506 /nfs/dbraw/zinc/08/25/06/733082506.db2.gz JVPYHNQBMVMNQD-GDBMZVCRSA-N 1 3 348.495 0.872 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC001167480915 734826480 /nfs/dbraw/zinc/82/64/80/734826480.db2.gz XAYWPQQKOABIKL-HNNXBMFYSA-N 1 3 348.495 0.983 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971843062 735224144 /nfs/dbraw/zinc/22/41/44/735224144.db2.gz FPXYFHCXXMGRMF-DLBZAZTESA-N 1 3 348.495 0.931 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971843062 735224149 /nfs/dbraw/zinc/22/41/49/735224149.db2.gz FPXYFHCXXMGRMF-DLBZAZTESA-N 1 3 348.495 0.931 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001006413797 751365610 /nfs/dbraw/zinc/36/56/10/751365610.db2.gz SAIOTSSXQAWKHD-KRWDZBQOSA-N 1 3 349.479 0.263 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001167626497 736146753 /nfs/dbraw/zinc/14/67/53/736146753.db2.gz CNGARMRQPQCTQO-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO C[N@H+](CCCNS(=O)(=O)N1CCNCC1)Cc1ccccc1 ZINC000309548381 736951440 /nfs/dbraw/zinc/95/14/40/736951440.db2.gz SEUUZPCEWALULT-UHFFFAOYSA-N 1 3 326.466 0.248 20 0 ECADHO C[N@@H+](CCCNS(=O)(=O)N1CCNCC1)Cc1ccccc1 ZINC000309548381 736951445 /nfs/dbraw/zinc/95/14/45/736951445.db2.gz SEUUZPCEWALULT-UHFFFAOYSA-N 1 3 326.466 0.248 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972733080 737567346 /nfs/dbraw/zinc/56/73/46/737567346.db2.gz OUNVFHBWARSNKC-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972733080 737567349 /nfs/dbraw/zinc/56/73/49/737567349.db2.gz OUNVFHBWARSNKC-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](CNCc2nncn2C)C1)[NH+](C)C ZINC001024026909 737640698 /nfs/dbraw/zinc/64/06/98/737640698.db2.gz KRBNKUALXXPUNL-HOCLYGCPSA-N 1 3 336.484 0.730 20 0 ECADHO C[C@H](NC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nncn1C ZINC001024238096 737844825 /nfs/dbraw/zinc/84/48/25/737844825.db2.gz HWGWNGJEPPTYOU-GJZGRUSLSA-N 1 3 346.479 0.800 20 0 ECADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC001024238791 737845436 /nfs/dbraw/zinc/84/54/36/737845436.db2.gz PXWGAAJXWIEFIZ-CQSZACIVSA-N 1 3 332.452 0.537 20 0 ECADHO CCN(CC)C(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100676118 737856432 /nfs/dbraw/zinc/85/64/32/737856432.db2.gz HSAZEDNMPOLWCT-QQFBHYJXSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104728960 739555722 /nfs/dbraw/zinc/55/57/22/739555722.db2.gz JQUWNNDRBCCXIS-ZIAGYGMSSA-N 1 3 348.451 0.052 20 0 ECADHO C[C@@H](NC(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCCN(CC(N)=O)C1 ZINC001025473595 739628430 /nfs/dbraw/zinc/62/84/30/739628430.db2.gz GWCCAIDQEGJENK-TZMCWYRMSA-N 1 3 329.404 0.650 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001026044551 740329350 /nfs/dbraw/zinc/32/93/50/740329350.db2.gz PZRBIULZENAOHP-WHUJPVCOSA-N 1 3 343.471 0.923 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001026044551 740329354 /nfs/dbraw/zinc/32/93/54/740329354.db2.gz PZRBIULZENAOHP-WHUJPVCOSA-N 1 3 343.471 0.923 20 0 ECADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCCS(=O)(=O)CC)C1 ZINC001100771104 740356498 /nfs/dbraw/zinc/35/64/98/740356498.db2.gz YCXUBKFMSQHLCY-UHFFFAOYSA-N 1 3 347.525 0.637 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C1 ZINC001104809357 740542942 /nfs/dbraw/zinc/54/29/42/740542942.db2.gz GHPZFERFLVRHAW-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO Cc1cc(CNCC2(CCNC(=O)COCC[NH+](C)C)CC2)on1 ZINC001167732992 740550521 /nfs/dbraw/zinc/55/05/21/740550521.db2.gz RELGJPMKIXRKPE-UHFFFAOYSA-N 1 3 338.452 0.937 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1 ZINC001104938263 740979201 /nfs/dbraw/zinc/97/92/01/740979201.db2.gz QRVOMAMVCJMTGH-HZPDHXFCSA-N 1 3 340.512 0.927 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001104939464 740983129 /nfs/dbraw/zinc/98/31/29/740983129.db2.gz QUNQBTJWPODCPZ-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001067542077 741169450 /nfs/dbraw/zinc/16/94/50/741169450.db2.gz AGDXSAUPYKBCFR-JKSUJKDBSA-N 1 3 349.479 0.989 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001067542077 741169452 /nfs/dbraw/zinc/16/94/52/741169452.db2.gz AGDXSAUPYKBCFR-JKSUJKDBSA-N 1 3 349.479 0.989 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)[C@@H]1CCCN1C ZINC000988148883 751618981 /nfs/dbraw/zinc/61/89/81/751618981.db2.gz TVPUZKRSUKSBCW-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001105066931 741285356 /nfs/dbraw/zinc/28/53/56/741285356.db2.gz GWDJHPCQYGTCFL-OAGGEKHMSA-N 1 3 338.496 0.681 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCN2CCCC2=O)C3)C1 ZINC000982150368 751655363 /nfs/dbraw/zinc/65/53/63/751655363.db2.gz CXIYCNMEMJTYDA-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCN2CCCC2=O)C3)C1 ZINC000982150368 751655367 /nfs/dbraw/zinc/65/53/67/751655367.db2.gz CXIYCNMEMJTYDA-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCn2cccn2)C3)C1 ZINC000982150886 751657708 /nfs/dbraw/zinc/65/77/08/751657708.db2.gz ZBPNBZZGCJHTIJ-INIZCTEOSA-N 1 3 331.464 0.759 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCn2cccn2)C3)C1 ZINC000982150886 751657712 /nfs/dbraw/zinc/65/77/12/751657712.db2.gz ZBPNBZZGCJHTIJ-INIZCTEOSA-N 1 3 331.464 0.759 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001026735015 741733675 /nfs/dbraw/zinc/73/36/75/741733675.db2.gz XZSDQWBMPSQFLZ-PBHICJAKSA-N 1 3 331.464 0.862 20 0 ECADHO Cn1cc(CNC[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001026848310 741957088 /nfs/dbraw/zinc/95/70/88/741957088.db2.gz XYFJZDZSSCKQLM-CJNGLKHVSA-N 1 3 332.452 0.095 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001026852869 741969752 /nfs/dbraw/zinc/96/97/52/741969752.db2.gz RSUAYASWKPCTAD-IJEWVQPXSA-N 1 3 347.463 0.764 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001026852869 741969756 /nfs/dbraw/zinc/96/97/56/741969756.db2.gz RSUAYASWKPCTAD-IJEWVQPXSA-N 1 3 347.463 0.764 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001026854046 741976876 /nfs/dbraw/zinc/97/68/76/741976876.db2.gz ZHZLTAUHWJRTGJ-IIAWOOMASA-N 1 3 347.463 0.764 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001026854046 741976877 /nfs/dbraw/zinc/97/68/77/741976877.db2.gz ZHZLTAUHWJRTGJ-IIAWOOMASA-N 1 3 347.463 0.764 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)CCC1 ZINC001026886290 742041610 /nfs/dbraw/zinc/04/16/10/742041610.db2.gz UDIQXYVLQPORAF-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CCc1nnc(CNC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1C ZINC001026887890 742044065 /nfs/dbraw/zinc/04/40/65/742044065.db2.gz XFMFSFHFIUQKPH-SUMWQHHRSA-N 1 3 348.495 0.656 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027063537 742431579 /nfs/dbraw/zinc/43/15/79/742431579.db2.gz NEFRHXLJMYUVSM-HUUCEWRRSA-N 1 3 334.468 0.720 20 0 ECADHO CCc1nnc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1C ZINC001027063972 742432519 /nfs/dbraw/zinc/43/25/19/742432519.db2.gz WOTOFCCXMKROJI-HUUCEWRRSA-N 1 3 348.495 0.800 20 0 ECADHO CCc1nnc(CNC[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)n1C ZINC001027063972 742432522 /nfs/dbraw/zinc/43/25/22/742432522.db2.gz WOTOFCCXMKROJI-HUUCEWRRSA-N 1 3 348.495 0.800 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC001027172891 743002895 /nfs/dbraw/zinc/00/28/95/743002895.db2.gz GZKZRLWNGVSVTI-ZDUSSCGKSA-N 1 3 334.420 0.717 20 0 ECADHO C[C@@H](NC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nncn1C ZINC001027173378 743006019 /nfs/dbraw/zinc/00/60/19/743006019.db2.gz OYSGUHFLMSIUGX-KGLIPLIRSA-N 1 3 332.452 0.410 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(Cc3cccc(C(N)=O)c3)C2)C1 ZINC001028984966 743082905 /nfs/dbraw/zinc/08/29/05/743082905.db2.gz GTPXRMZZRUFYRG-NVXWUHKLSA-N 1 3 344.459 0.675 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(Cc3cccc(C(N)=O)c3)C2)C1 ZINC001028984966 743082912 /nfs/dbraw/zinc/08/29/12/743082912.db2.gz GTPXRMZZRUFYRG-NVXWUHKLSA-N 1 3 344.459 0.675 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCN3CCCC3=O)CC2)C1 ZINC000997008584 743123311 /nfs/dbraw/zinc/12/33/11/743123311.db2.gz VQVPFBHWPHLZIT-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)n1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027216679 743191960 /nfs/dbraw/zinc/19/19/60/743191960.db2.gz WKWDLBNDMAYDHX-LSDHHAIUSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)n1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027216679 743191962 /nfs/dbraw/zinc/19/19/62/743191962.db2.gz WKWDLBNDMAYDHX-LSDHHAIUSA-N 1 3 334.468 0.749 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001027218175 743197016 /nfs/dbraw/zinc/19/70/16/743197016.db2.gz ZCGAAAWBWSNKLM-HZPDHXFCSA-N 1 3 336.480 0.437 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000975719407 743263058 /nfs/dbraw/zinc/26/30/58/743263058.db2.gz RKHLJIDGGYANHM-LZWOXQAQSA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000975719407 743263062 /nfs/dbraw/zinc/26/30/62/743263062.db2.gz RKHLJIDGGYANHM-LZWOXQAQSA-N 1 3 345.447 0.353 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000997366929 743538262 /nfs/dbraw/zinc/53/82/62/743538262.db2.gz QRYLSWXSLGAKTJ-HOTGVXAUSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001020588910 751851092 /nfs/dbraw/zinc/85/10/92/751851092.db2.gz QHEZZPSJDDZAAU-FVQBIDKESA-N 1 3 332.448 0.464 20 0 ECADHO CNC(=O)C[NH+]1CCC([C@H](C)NC(=O)c2ccn3cncc3c2)CC1 ZINC000997657911 743735026 /nfs/dbraw/zinc/73/50/26/743735026.db2.gz CKBGZICHCAZRFO-ZDUSSCGKSA-N 1 3 343.431 0.911 20 0 ECADHO C[C@]12CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@@]1(C)C[N@H+](CCO)C2 ZINC000982282776 751861134 /nfs/dbraw/zinc/86/11/34/751861134.db2.gz HJBMOJSHFZWIQY-CIRFHOKZSA-N 1 3 337.464 0.012 20 0 ECADHO C[C@]12CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982282776 751861144 /nfs/dbraw/zinc/86/11/44/751861144.db2.gz HJBMOJSHFZWIQY-CIRFHOKZSA-N 1 3 337.464 0.012 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cnnn2CC)CC1)N(C)C ZINC000998087534 743971676 /nfs/dbraw/zinc/97/16/76/743971676.db2.gz YBEKBLQLMOFCDK-INIZCTEOSA-N 1 3 336.484 0.966 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC000998120117 743988397 /nfs/dbraw/zinc/98/83/97/743988397.db2.gz PYSWCXUUYMZFEV-CQSZACIVSA-N 1 3 347.463 0.697 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)CCC1 ZINC000998267058 744087312 /nfs/dbraw/zinc/08/73/12/744087312.db2.gz MCPHURCBZYAHNW-NWDGAFQWSA-N 1 3 337.386 0.832 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998547984 744219500 /nfs/dbraw/zinc/21/95/00/744219500.db2.gz DMIBHIHIPUGPHO-YMAMQOFZSA-N 1 3 334.468 0.780 20 0 ECADHO CC[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1)C(N)=O ZINC001211669177 744388036 /nfs/dbraw/zinc/38/80/36/744388036.db2.gz MDALTTFAJYWJOR-GVDBMIGSSA-N 1 3 346.475 0.786 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976926451 744498146 /nfs/dbraw/zinc/49/81/46/744498146.db2.gz NBEBFDAKJSZBNH-UYAYXHRUSA-N 1 3 345.447 0.175 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976926451 744498149 /nfs/dbraw/zinc/49/81/49/744498149.db2.gz NBEBFDAKJSZBNH-UYAYXHRUSA-N 1 3 345.447 0.175 20 0 ECADHO CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC000999350691 744644511 /nfs/dbraw/zinc/64/45/11/744644511.db2.gz AHWAQOLWZWIHAR-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC000999366694 744657169 /nfs/dbraw/zinc/65/71/69/744657169.db2.gz ZBSSUAJBRIYPER-MRXNPFEDSA-N 1 3 348.495 0.960 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC000999490472 744720384 /nfs/dbraw/zinc/72/03/84/744720384.db2.gz QIKOIZQCYCUHLC-ZIAGYGMSSA-N 1 3 338.452 0.056 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999877423 744986083 /nfs/dbraw/zinc/98/60/83/744986083.db2.gz NZYSVQLGTWECOM-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999877423 744986089 /nfs/dbraw/zinc/98/60/89/744986089.db2.gz NZYSVQLGTWECOM-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1nccc1CCN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977599732 745280769 /nfs/dbraw/zinc/28/07/69/745280769.db2.gz MRAVPFXRXPZYEA-ZBFHGGJFSA-N 1 3 333.480 0.741 20 0 ECADHO Cn1nccc1CCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977599732 745280775 /nfs/dbraw/zinc/28/07/75/745280775.db2.gz MRAVPFXRXPZYEA-ZBFHGGJFSA-N 1 3 333.480 0.741 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000690499 745702875 /nfs/dbraw/zinc/70/28/75/745702875.db2.gz VTCCDWHONWPQQC-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000690499 745702878 /nfs/dbraw/zinc/70/28/78/745702878.db2.gz VTCCDWHONWPQQC-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001027575659 745710875 /nfs/dbraw/zinc/71/08/75/745710875.db2.gz BYODKTYRJLOVNE-HOTGVXAUSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027575659 745710877 /nfs/dbraw/zinc/71/08/77/745710877.db2.gz BYODKTYRJLOVNE-HOTGVXAUSA-N 1 3 334.468 0.685 20 0 ECADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001000776829 745759238 /nfs/dbraw/zinc/75/92/38/745759238.db2.gz LOFLEDRSJFNSNW-QGZVFWFLSA-N 1 3 337.464 0.370 20 0 ECADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001000776829 745759241 /nfs/dbraw/zinc/75/92/41/745759241.db2.gz LOFLEDRSJFNSNW-QGZVFWFLSA-N 1 3 337.464 0.370 20 0 ECADHO COCC[N@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000971430 745941026 /nfs/dbraw/zinc/94/10/26/745941026.db2.gz CPZMRBFTBPJWIS-UPTPFMHGSA-N 1 3 335.448 0.244 20 0 ECADHO COCC[N@@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000971430 745941031 /nfs/dbraw/zinc/94/10/31/745941031.db2.gz CPZMRBFTBPJWIS-UPTPFMHGSA-N 1 3 335.448 0.244 20 0 ECADHO CN1CC[C@H](N[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001000992487 745958283 /nfs/dbraw/zinc/95/82/83/745958283.db2.gz MEKYWPMHCSWSGC-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CCOC ZINC001087665401 746168881 /nfs/dbraw/zinc/16/88/81/746168881.db2.gz NCOFPJSQUOIPAE-HNCZQISISA-N 1 3 337.464 0.465 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CCOC ZINC001087665401 746168883 /nfs/dbraw/zinc/16/88/83/746168883.db2.gz NCOFPJSQUOIPAE-HNCZQISISA-N 1 3 337.464 0.465 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCN1CCCC1=O ZINC001087797935 746356438 /nfs/dbraw/zinc/35/64/38/746356438.db2.gz QHBUVENWVCYBKR-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CN(CCN1CCNC1=O)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027651885 746544631 /nfs/dbraw/zinc/54/46/31/746544631.db2.gz NQXREJSSVOYJFP-HNNXBMFYSA-N 1 3 349.479 0.030 20 0 ECADHO O=C(NCC1CC[NH+](CCCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001001644683 746566941 /nfs/dbraw/zinc/56/69/41/746566941.db2.gz AMWGIKHDRIXKDD-PQUAAJSLSA-N 1 3 337.464 0.060 20 0 ECADHO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)N2CCNCC2)cc1 ZINC000320306843 746906684 /nfs/dbraw/zinc/90/66/84/746906684.db2.gz BZZPYXRVYMVWOF-UHFFFAOYSA-N 1 3 340.493 0.768 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001002170549 747050819 /nfs/dbraw/zinc/05/08/19/747050819.db2.gz REDCQMVGCIFXBQ-SJORKVTESA-N 1 3 348.491 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001002170549 747050821 /nfs/dbraw/zinc/05/08/21/747050821.db2.gz REDCQMVGCIFXBQ-SJORKVTESA-N 1 3 348.491 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001002170548 747050881 /nfs/dbraw/zinc/05/08/81/747050881.db2.gz REDCQMVGCIFXBQ-IRXDYDNUSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001002170548 747050885 /nfs/dbraw/zinc/05/08/85/747050885.db2.gz REDCQMVGCIFXBQ-IRXDYDNUSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001002170547 747050948 /nfs/dbraw/zinc/05/09/48/747050948.db2.gz REDCQMVGCIFXBQ-IAGOWNOFSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001002170547 747050955 /nfs/dbraw/zinc/05/09/55/747050955.db2.gz REDCQMVGCIFXBQ-IAGOWNOFSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088025901 747099227 /nfs/dbraw/zinc/09/92/27/747099227.db2.gz HSFDRJNRXHXYPQ-PMPSAXMXSA-N 1 3 348.491 0.659 20 0 ECADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000985039780 747293372 /nfs/dbraw/zinc/29/33/72/747293372.db2.gz IEHQDDXVAAEYKS-SHTZXODSSA-N 1 3 329.448 0.865 20 0 ECADHO C[C@H]([NH2+]Cc1cncn1C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000979310792 747592184 /nfs/dbraw/zinc/59/21/84/747592184.db2.gz IQAJXBJSURKBSZ-WMLDXEAASA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000979316070 747626992 /nfs/dbraw/zinc/62/69/92/747626992.db2.gz MISZHMYUODFQON-HOCLYGCPSA-N 1 3 349.479 0.610 20 0 ECADHO C[NH+](C)CCC(=O)N1CC[C@H](n2cc(CNCCC3CC3)nn2)C1 ZINC001098722895 747691813 /nfs/dbraw/zinc/69/18/13/747691813.db2.gz QSYHYIAGZDASPE-INIZCTEOSA-N 1 3 334.468 0.893 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCCN(C)C2=O)CC1 ZINC000985327101 747710026 /nfs/dbraw/zinc/71/00/26/747710026.db2.gz CETLONAGWMNVQR-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCCN(C)C2=O)CC1 ZINC000985327101 747710030 /nfs/dbraw/zinc/71/00/30/747710030.db2.gz CETLONAGWMNVQR-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC001002794388 747796170 /nfs/dbraw/zinc/79/61/70/747796170.db2.gz HPYWKDJVSBTOMB-NGFQHRJXSA-N 1 3 331.420 0.152 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC001002794388 747796176 /nfs/dbraw/zinc/79/61/76/747796176.db2.gz HPYWKDJVSBTOMB-NGFQHRJXSA-N 1 3 331.420 0.152 20 0 ECADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002828963 747844376 /nfs/dbraw/zinc/84/43/76/747844376.db2.gz NMRKGIXDKZCTRM-QGZVFWFLSA-N 1 3 331.464 0.806 20 0 ECADHO C[C@@H](NCc1ccnn1C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979449152 747857647 /nfs/dbraw/zinc/85/76/47/747857647.db2.gz MINICNBBABTSMZ-GDBMZVCRSA-N 1 3 347.463 0.221 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001002888125 747923233 /nfs/dbraw/zinc/92/32/33/747923233.db2.gz NELFOODIULDMSI-SJORKVTESA-N 1 3 348.491 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001002888125 747923238 /nfs/dbraw/zinc/92/32/38/747923238.db2.gz NELFOODIULDMSI-SJORKVTESA-N 1 3 348.491 0.674 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@H]1CCN(C)C1=O ZINC001029777965 748350128 /nfs/dbraw/zinc/35/01/28/748350128.db2.gz XANHJENJYKSWQJ-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985568917 748553033 /nfs/dbraw/zinc/55/30/33/748553033.db2.gz RPOKTDBIFHEHKC-HNNXBMFYSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@@H]1CCCNC1=O ZINC001029823447 748614476 /nfs/dbraw/zinc/61/44/76/748614476.db2.gz CUMYCWKHCMNCMX-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)[C@H]1CCNC1=O ZINC001029842950 748707117 /nfs/dbraw/zinc/70/71/17/748707117.db2.gz ZQXJGOOMFIUQAS-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)[C@H]1CCNC1=O ZINC001029842950 748707120 /nfs/dbraw/zinc/70/71/20/748707120.db2.gz ZQXJGOOMFIUQAS-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO NC(=O)CN1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000980000609 748807094 /nfs/dbraw/zinc/80/70/94/748807094.db2.gz MKNVCSSQUXPXCX-JYJNAYRXSA-N 1 3 348.491 0.564 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001003776513 748882879 /nfs/dbraw/zinc/88/28/79/748882879.db2.gz UQBZXCGWLGFGJT-IAGOWNOFSA-N 1 3 346.479 0.876 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001003776513 748882880 /nfs/dbraw/zinc/88/28/80/748882880.db2.gz UQBZXCGWLGFGJT-IAGOWNOFSA-N 1 3 346.479 0.876 20 0 ECADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000985750066 749010710 /nfs/dbraw/zinc/01/07/10/749010710.db2.gz BJPQTXAJMZCPSV-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985750066 749010718 /nfs/dbraw/zinc/01/07/18/749010718.db2.gz BJPQTXAJMZCPSV-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001088390657 749014807 /nfs/dbraw/zinc/01/48/07/749014807.db2.gz RYRNICUDGOIGSO-AWEZNQCLSA-N 1 3 348.451 0.338 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001051342181 761920111 /nfs/dbraw/zinc/92/01/11/761920111.db2.gz STGXGGGCVHOXMW-HZSPNIEDSA-N 1 3 338.452 0.103 20 0 ECADHO O=C(NC[C@H]1CCCN1CCn1cccn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886682 749113900 /nfs/dbraw/zinc/11/39/00/749113900.db2.gz WACRDKKXYCNRLO-IAGOWNOFSA-N 1 3 331.464 0.806 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000985793549 749115316 /nfs/dbraw/zinc/11/53/16/749115316.db2.gz UAAGOUAITCHVGG-UHFFFAOYSA-N 1 3 348.495 0.914 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000985793549 749115324 /nfs/dbraw/zinc/11/53/24/749115324.db2.gz UAAGOUAITCHVGG-UHFFFAOYSA-N 1 3 348.495 0.914 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001112198504 749139053 /nfs/dbraw/zinc/13/90/53/749139053.db2.gz YRRBXCMDRWVNDA-QJPTWQEYSA-N 1 3 325.375 0.688 20 0 ECADHO CC(C)[C@H](C(=O)N1CCCCC[C@@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001088431388 749206540 /nfs/dbraw/zinc/20/65/40/749206540.db2.gz SSMUNQKGRRRMAT-NVXWUHKLSA-N 1 3 338.496 0.953 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059689865 749475667 /nfs/dbraw/zinc/47/56/67/749475667.db2.gz YAVIIFBJFWQNOH-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001004455491 749521206 /nfs/dbraw/zinc/52/12/06/749521206.db2.gz KHCJBKVKXCSPCD-UKRRQHHQSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001004455491 749521211 /nfs/dbraw/zinc/52/12/11/749521211.db2.gz KHCJBKVKXCSPCD-UKRRQHHQSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H]1[C@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)CN(C)C1CCC1 ZINC000986353800 749810064 /nfs/dbraw/zinc/81/00/64/749810064.db2.gz JKFDJDWACTWDEG-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001167815392 749857388 /nfs/dbraw/zinc/85/73/88/749857388.db2.gz SYRPVGOOFOLJLB-CYBMUJFWSA-N 1 3 338.452 0.010 20 0 ECADHO C[C@H](NCc1cnnn1C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004976900 750091177 /nfs/dbraw/zinc/09/11/77/750091177.db2.gz HBFRMWOLGMZTJM-HOCLYGCPSA-N 1 3 346.479 0.770 20 0 ECADHO C[C@H]1C[C@H](CNCc2cn(C)nn2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766624 750119110 /nfs/dbraw/zinc/11/91/10/750119110.db2.gz DWAGUPXJECXCEP-UONOGXRCSA-N 1 3 332.452 0.238 20 0 ECADHO CCn1cc(CNC[C@H]2C[C@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000980767467 750121043 /nfs/dbraw/zinc/12/10/43/750121043.db2.gz NIQRJRSVBQQIQR-LSDHHAIUSA-N 1 3 346.479 0.720 20 0 ECADHO O=C(CN1CCCC1)NC1CC2(C1)CC(NC(=O)C[NH+]1CCCC1)C2 ZINC001014003298 762055838 /nfs/dbraw/zinc/05/58/38/762055838.db2.gz UAKMOPPZQSYQQH-UHFFFAOYSA-N 1 3 348.491 0.722 20 0 ECADHO C[C@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987275052 750684484 /nfs/dbraw/zinc/68/44/84/750684484.db2.gz BKYVXJHANBPSBX-WMLDXEAASA-N 1 3 349.479 0.610 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@H]1CCCN1C ZINC000989025104 753150916 /nfs/dbraw/zinc/15/09/16/753150916.db2.gz USVMJNLVIIGQPS-OWCLPIDISA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989034643 753179222 /nfs/dbraw/zinc/17/92/22/753179222.db2.gz RFRVOLDAUFCSGJ-JYJNAYRXSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989034643 753179225 /nfs/dbraw/zinc/17/92/25/753179225.db2.gz RFRVOLDAUFCSGJ-JYJNAYRXSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051515721 762261630 /nfs/dbraw/zinc/26/16/30/762261630.db2.gz MJLNEAQXQGDMKE-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605874 754187077 /nfs/dbraw/zinc/18/70/77/754187077.db2.gz NDLASIDLYFPEBG-HZPDHXFCSA-N 1 3 334.468 0.589 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656958 754327926 /nfs/dbraw/zinc/32/79/26/754327926.db2.gz SCSYETOVUIONAF-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NC[C@H]1CCN([C@H]2CCCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001028659879 754386673 /nfs/dbraw/zinc/38/66/73/754386673.db2.gz ZGZYHASGTKHYIP-CABCVRRESA-N 1 3 334.464 0.332 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001060033705 755151195 /nfs/dbraw/zinc/15/11/95/755151195.db2.gz QGOYUJUUGTZJFM-DOTOQJQBSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(CCn2cncn2)CC3)CC[N@@H+]1C ZINC000990792658 755914734 /nfs/dbraw/zinc/91/47/34/755914734.db2.gz UUBNOMLAJPQUEQ-KONPQCLYSA-N 1 3 346.479 0.732 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(CCn2cncn2)CC3)CC[N@H+]1C ZINC000990792658 755914738 /nfs/dbraw/zinc/91/47/38/755914738.db2.gz UUBNOMLAJPQUEQ-KONPQCLYSA-N 1 3 346.479 0.732 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001076070311 756055356 /nfs/dbraw/zinc/05/53/56/756055356.db2.gz DFOOWKPONFJFOW-RWBIUQBRSA-N 1 3 331.460 0.792 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001076070311 756055363 /nfs/dbraw/zinc/05/53/63/756055363.db2.gz DFOOWKPONFJFOW-RWBIUQBRSA-N 1 3 331.460 0.792 20 0 ECADHO CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076206634 756214342 /nfs/dbraw/zinc/21/43/42/756214342.db2.gz YWHXTNWHSZUMAL-GVDBMIGSSA-N 1 3 348.491 0.482 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001076627347 756747826 /nfs/dbraw/zinc/74/78/26/756747826.db2.gz GWTZAGAHIJWTBB-HOCLYGCPSA-N 1 3 328.501 0.925 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001048815661 757085476 /nfs/dbraw/zinc/08/54/76/757085476.db2.gz NDHWRTXOXHKNIZ-QXSJWSMHSA-N 1 3 336.480 0.513 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001048815661 757085478 /nfs/dbraw/zinc/08/54/78/757085478.db2.gz NDHWRTXOXHKNIZ-QXSJWSMHSA-N 1 3 336.480 0.513 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)N(C)C ZINC001011178163 757131429 /nfs/dbraw/zinc/13/14/29/757131429.db2.gz OBSGHVYBLWKKBY-HZPDHXFCSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)CN1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001048864179 757221853 /nfs/dbraw/zinc/22/18/53/757221853.db2.gz SQWVIWCBNKTRFT-DAYGRLMNSA-N 1 3 348.491 0.338 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC000996299856 757308808 /nfs/dbraw/zinc/30/88/08/757308808.db2.gz FOEZWPKTYXMGNB-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)[NH+](C)C ZINC001011268155 757346246 /nfs/dbraw/zinc/34/62/46/757346246.db2.gz PQVCEMXTHNWEBO-WBVHZDCISA-N 1 3 338.496 0.585 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)C1CCC1 ZINC001011282088 757401901 /nfs/dbraw/zinc/40/19/01/757401901.db2.gz NEPYOINMRCTHQO-UHFFFAOYSA-N 1 3 334.464 0.237 20 0 ECADHO C[NH+]1CCC(CC(=O)N2C[C@H](N[C@@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996385905 757513702 /nfs/dbraw/zinc/51/37/02/757513702.db2.gz MFSYXADRSVYLHV-CABCVRRESA-N 1 3 336.480 0.433 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N2C[C@H](NCCF)C(C)(C)C2)cn1 ZINC000996401138 757554277 /nfs/dbraw/zinc/55/42/77/757554277.db2.gz KFCCOXGKBDMODF-AWEZNQCLSA-N 1 3 325.432 0.854 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048976718 757578087 /nfs/dbraw/zinc/57/80/87/757578087.db2.gz QPNQLRHWDKCCBV-ZNMIVQPWSA-N 1 3 336.480 0.515 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2C1)N(C)C ZINC001049039064 757756118 /nfs/dbraw/zinc/75/61/18/757756118.db2.gz NUHXZNQYLRYNMH-FGTMMUONSA-N 1 3 347.507 0.939 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2C1)N(C)C ZINC001049039064 757756124 /nfs/dbraw/zinc/75/61/24/757756124.db2.gz NUHXZNQYLRYNMH-FGTMMUONSA-N 1 3 347.507 0.939 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1 ZINC001051646838 762573315 /nfs/dbraw/zinc/57/33/15/762573315.db2.gz DHLZAVAMHHUVQC-IAGOWNOFSA-N 1 3 349.479 0.612 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1 ZINC001051646838 762573318 /nfs/dbraw/zinc/57/33/18/762573318.db2.gz DHLZAVAMHHUVQC-IAGOWNOFSA-N 1 3 349.479 0.612 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001076973846 757813442 /nfs/dbraw/zinc/81/34/42/757813442.db2.gz CIILXYTZXQBZBN-KKUMJFAQSA-N 1 3 326.485 0.535 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001076973846 757813451 /nfs/dbraw/zinc/81/34/51/757813451.db2.gz CIILXYTZXQBZBN-KKUMJFAQSA-N 1 3 326.485 0.535 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001049059045 757816895 /nfs/dbraw/zinc/81/68/95/757816895.db2.gz LTJVLUINEVLSBQ-FPCVCCKLSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001049059045 757816905 /nfs/dbraw/zinc/81/69/05/757816905.db2.gz LTJVLUINEVLSBQ-FPCVCCKLSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059045 757816919 /nfs/dbraw/zinc/81/69/19/757816919.db2.gz LTJVLUINEVLSBQ-FPCVCCKLSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059045 757816934 /nfs/dbraw/zinc/81/69/34/757816934.db2.gz LTJVLUINEVLSBQ-FPCVCCKLSA-N 1 3 336.480 0.195 20 0 ECADHO Cc1cc(C)n(CC[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)n1 ZINC001049083678 757915528 /nfs/dbraw/zinc/91/55/28/757915528.db2.gz NVMQDOXJZCSMPN-IYBDPMFKSA-N 1 3 342.447 0.856 20 0 ECADHO Cc1cc(C)n(CC[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)n1 ZINC001049083678 757915536 /nfs/dbraw/zinc/91/55/36/757915536.db2.gz NVMQDOXJZCSMPN-IYBDPMFKSA-N 1 3 342.447 0.856 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC000996544854 757979422 /nfs/dbraw/zinc/97/94/22/757979422.db2.gz LVIKAYFXRPKDRP-WCVJEAGWSA-N 1 3 334.464 0.282 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC000996544854 757979425 /nfs/dbraw/zinc/97/94/25/757979425.db2.gz LVIKAYFXRPKDRP-WCVJEAGWSA-N 1 3 334.464 0.282 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+]C[C@@H]3CCOC3)C2)CCC1 ZINC001051651557 762591052 /nfs/dbraw/zinc/59/10/52/762591052.db2.gz LAPIJWHHGQPHBD-GJZGRUSLSA-N 1 3 325.453 0.324 20 0 ECADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1)C1CCC1 ZINC001051654240 762601559 /nfs/dbraw/zinc/60/15/59/762601559.db2.gz JQWKMFRNUPMPFE-RDJZCZTQSA-N 1 3 339.480 0.714 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001051654837 762603678 /nfs/dbraw/zinc/60/36/78/762603678.db2.gz VJUGONFQZCVTNU-JKSUJKDBSA-N 1 3 335.452 0.077 20 0 ECADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCCCO2)C1)C1CCC1 ZINC001051656012 762607546 /nfs/dbraw/zinc/60/75/46/762607546.db2.gz YJSYZRBVHFMLHY-IRXDYDNUSA-N 1 3 339.480 0.857 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001011658050 758225451 /nfs/dbraw/zinc/22/54/51/758225451.db2.gz ZQCSZPUUYPAUSH-UHFFFAOYSA-N 1 3 348.491 0.485 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049212452 758324757 /nfs/dbraw/zinc/32/47/57/758324757.db2.gz CCJRYIKXPJTGSH-OIISXLGYSA-N 1 3 331.464 0.570 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049212452 758324767 /nfs/dbraw/zinc/32/47/67/758324767.db2.gz CCJRYIKXPJTGSH-OIISXLGYSA-N 1 3 331.464 0.570 20 0 ECADHO CN(C)Cc1ccsc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001022155409 758342352 /nfs/dbraw/zinc/34/23/52/758342352.db2.gz JLMFELILOHYBDN-BETUJISGSA-N 1 3 348.476 0.989 20 0 ECADHO CCn1cc(CNC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000996674264 758423450 /nfs/dbraw/zinc/42/34/50/758423450.db2.gz BGRJYLAPDIYKBR-MRXNPFEDSA-N 1 3 334.468 0.719 20 0 ECADHO COc1nccc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)n1 ZINC000996674893 758424963 /nfs/dbraw/zinc/42/49/63/758424963.db2.gz DHBJBDIGOJHYKK-MRXNPFEDSA-N 1 3 347.463 0.906 20 0 ECADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1=O ZINC000996681257 758459843 /nfs/dbraw/zinc/45/98/43/758459843.db2.gz YSJDAAVPZFQMLV-HOTGVXAUSA-N 1 3 336.480 0.528 20 0 ECADHO COc1ccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC001127780185 758638976 /nfs/dbraw/zinc/63/89/76/758638976.db2.gz WOYFLLNFYBNBRE-LSDHHAIUSA-N 1 3 334.420 0.159 20 0 ECADHO COc1ccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC001127780185 758638981 /nfs/dbraw/zinc/63/89/81/758638981.db2.gz WOYFLLNFYBNBRE-LSDHHAIUSA-N 1 3 334.420 0.159 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022452771 758743818 /nfs/dbraw/zinc/74/38/18/758743818.db2.gz RAFUXDNBHPYKFS-XFHVWQCUSA-N 1 3 342.443 0.682 20 0 ECADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785616 758770472 /nfs/dbraw/zinc/77/04/72/758770472.db2.gz OURJEMUPEOIKDP-IRXDYDNUSA-N 1 3 349.479 0.841 20 0 ECADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785616 758770478 /nfs/dbraw/zinc/77/04/78/758770478.db2.gz OURJEMUPEOIKDP-IRXDYDNUSA-N 1 3 349.479 0.841 20 0 ECADHO CC(C)(C)n1cc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC001127785209 758778915 /nfs/dbraw/zinc/77/89/15/758778915.db2.gz GTGZERIWSMUUEF-JKSUJKDBSA-N 1 3 349.479 0.707 20 0 ECADHO CC(C)(C)n1cc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC001127785209 758778922 /nfs/dbraw/zinc/77/89/22/758778922.db2.gz GTGZERIWSMUUEF-JKSUJKDBSA-N 1 3 349.479 0.707 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@@H+]1C ZINC001022843205 759167261 /nfs/dbraw/zinc/16/72/61/759167261.db2.gz AFPPFGMKMTYIHF-OCVGTWLNSA-N 1 3 345.447 0.352 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@H+]1C ZINC001022843205 759167267 /nfs/dbraw/zinc/16/72/67/759167267.db2.gz AFPPFGMKMTYIHF-OCVGTWLNSA-N 1 3 345.447 0.352 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC2CC2)[C@H](C)C1 ZINC001107042618 759503809 /nfs/dbraw/zinc/50/38/09/759503809.db2.gz VJMGYRWNJGUALB-RBSFLKMASA-N 1 3 338.496 0.678 20 0 ECADHO C[C@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047960548 759750232 /nfs/dbraw/zinc/75/02/32/759750232.db2.gz 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Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001048397318 760437201 /nfs/dbraw/zinc/43/72/01/760437201.db2.gz KGGWWBLPBLMOTM-TZMCWYRMSA-N 1 3 330.436 0.878 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)CN1CCCC1 ZINC001012622193 760453253 /nfs/dbraw/zinc/45/32/53/760453253.db2.gz SKQBILGHPDYQFE-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2)C1CCC1 ZINC001050546233 760467912 /nfs/dbraw/zinc/46/79/12/760467912.db2.gz KLCSKNZTMXHLJV-INIZCTEOSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNCc1cn(C)nn1 ZINC001048441123 760535110 /nfs/dbraw/zinc/53/51/10/760535110.db2.gz OGHXJOFZFJESBF-KBPBESRZSA-N 1 3 332.452 0.095 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCC[C@@H]1C ZINC001127061303 760617910 /nfs/dbraw/zinc/61/79/10/760617910.db2.gz PJCWGARTCYHFGS-JKSUJKDBSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCC[C@@H]1C ZINC001127061303 760617916 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CCC(C)(C)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660508 763151080 /nfs/dbraw/zinc/15/10/80/763151080.db2.gz ZFILJWRYKSUPJS-BFHYXJOUSA-N 1 3 326.485 0.726 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(CCCN3CCCC3=O)C2)C1 ZINC001046837906 763203430 /nfs/dbraw/zinc/20/34/30/763203430.db2.gz CRERSCUMRFPNLK-QAPCUYQASA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(CCCN3CCCC3=O)C2)C1 ZINC001046837906 763203440 /nfs/dbraw/zinc/20/34/40/763203440.db2.gz CRERSCUMRFPNLK-QAPCUYQASA-N 1 3 336.480 0.531 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051902389 763280104 /nfs/dbraw/zinc/28/01/04/763280104.db2.gz DMZFXUPTFAQNMM-DOTOQJQBSA-N 1 3 347.463 0.444 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051902389 763280107 /nfs/dbraw/zinc/28/01/07/763280107.db2.gz DMZFXUPTFAQNMM-DOTOQJQBSA-N 1 3 347.463 0.444 20 0 ECADHO C[C@@H](O)CN1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968392 763485043 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765124487 /nfs/dbraw/zinc/12/44/87/765124487.db2.gz RKTNMYKLKUGLOA-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO CCn1cc(CCN2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001015997873 765691714 /nfs/dbraw/zinc/69/17/14/765691714.db2.gz IKDHKMSHKBZUFE-WBVHZDCISA-N 1 3 333.480 0.978 20 0 ECADHO CCn1cc(CCN2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001015997873 765691717 /nfs/dbraw/zinc/69/17/17/765691717.db2.gz IKDHKMSHKBZUFE-WBVHZDCISA-N 1 3 333.480 0.978 20 0 ECADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001053355287 766020378 /nfs/dbraw/zinc/02/03/78/766020378.db2.gz FQGDIRFIPJOGAN-LSDHHAIUSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1cnnn1C ZINC001054854878 768341260 /nfs/dbraw/zinc/34/12/60/768341260.db2.gz ZPIWHGHSQZVSFA-UKRRQHHQSA-N 1 3 332.452 0.380 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001016330770 766129151 /nfs/dbraw/zinc/12/91/51/766129151.db2.gz RHWHFZGRNKRQDS-GPANFISMSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)CCC1 ZINC001045792835 766376827 /nfs/dbraw/zinc/37/68/27/766376827.db2.gz GBZIMNWKKCAHPO-PMPSAXMXSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCCNC2=O)CCC1 ZINC001045792835 766376836 /nfs/dbraw/zinc/37/68/36/766376836.db2.gz GBZIMNWKKCAHPO-PMPSAXMXSA-N 1 3 348.491 0.815 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)NCC1CCC1 ZINC001127254388 766520068 /nfs/dbraw/zinc/52/00/68/766520068.db2.gz FAZGFTIJUOEQKF-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)NCC1CCC1 ZINC001127254388 766520071 /nfs/dbraw/zinc/52/00/71/766520071.db2.gz FAZGFTIJUOEQKF-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001016578531 766529206 /nfs/dbraw/zinc/52/92/06/766529206.db2.gz BGCSSKCSNYTKJV-XSCHDIRWSA-N 1 3 347.463 0.706 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001016578531 766529210 /nfs/dbraw/zinc/52/92/10/766529210.db2.gz BGCSSKCSNYTKJV-XSCHDIRWSA-N 1 3 347.463 0.706 20 0 ECADHO NC(=O)c1cccc(CNCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC001127257475 766787193 /nfs/dbraw/zinc/78/71/93/766787193.db2.gz YRISHMZQYMTTOM-DLBZAZTESA-N 1 3 344.459 0.866 20 0 ECADHO NC(=O)c1cccc(CNCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC001127257475 766787197 /nfs/dbraw/zinc/78/71/97/766787197.db2.gz YRISHMZQYMTTOM-DLBZAZTESA-N 1 3 344.459 0.866 20 0 ECADHO CN1CC[C@@H](N2CCC3(C[C@H]3NC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001016799424 766950204 /nfs/dbraw/zinc/95/02/04/766950204.db2.gz JXVGBWBIYCPSLQ-HZPDHXFCSA-N 1 3 348.491 0.530 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016808361 766963732 /nfs/dbraw/zinc/96/37/32/766963732.db2.gz RFZGCKPPINQXPO-HIFRSBDPSA-N 1 3 336.480 0.433 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001112425542 766988503 /nfs/dbraw/zinc/98/85/03/766988503.db2.gz QNMINFBNJUBWIK-DAYGRLMNSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000938825203 767123805 /nfs/dbraw/zinc/12/38/05/767123805.db2.gz RDEUNLITWZUSIM-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO Cn1cc(CCN2CC[C@](C)(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001046319831 767145754 /nfs/dbraw/zinc/14/57/54/767145754.db2.gz XGZWCJJSMAHEMX-HKUYNNGSSA-N 1 3 345.491 0.885 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(CC)C2=O)[C@H](C)C1 ZINC001106910624 767149012 /nfs/dbraw/zinc/14/90/12/767149012.db2.gz GZCLNLUIHKKQHD-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1 ZINC001106910874 767153277 /nfs/dbraw/zinc/15/32/77/767153277.db2.gz SSRXNXFGHZDCOJ-NVXWUHKLSA-N 1 3 335.496 0.989 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2O)C1 ZINC001077566753 767203355 /nfs/dbraw/zinc/20/33/55/767203355.db2.gz MXLVORLHUSBDMS-KURKYZTESA-N 1 3 347.459 0.457 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2O)C1 ZINC001077566753 767203356 /nfs/dbraw/zinc/20/33/56/767203356.db2.gz MXLVORLHUSBDMS-KURKYZTESA-N 1 3 347.459 0.457 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O)C1 ZINC001077566753 767203357 /nfs/dbraw/zinc/20/33/57/767203357.db2.gz MXLVORLHUSBDMS-KURKYZTESA-N 1 3 347.459 0.457 20 0 ECADHO O=C(c1[nH]nc2c1CNCC2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000446371050 767219314 /nfs/dbraw/zinc/21/93/14/767219314.db2.gz UWWGZDYEOGVIJM-UHFFFAOYSA-N 1 3 347.463 0.772 20 0 ECADHO CC[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643687 767389184 /nfs/dbraw/zinc/38/91/84/767389184.db2.gz GTJDQQXFPVUHPW-OWCLPIDISA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643687 767389197 /nfs/dbraw/zinc/38/91/97/767389197.db2.gz GTJDQQXFPVUHPW-OWCLPIDISA-N 1 3 338.496 0.824 20 0 ECADHO O=C(NCC1C[NH+](C[C@@H]2CCCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001031856621 767445873 /nfs/dbraw/zinc/44/58/73/767445873.db2.gz DTSZZOFSBPHAOB-CKXIEVRYSA-N 1 3 349.475 0.324 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001017037175 767491453 /nfs/dbraw/zinc/49/14/53/767491453.db2.gz NBCZCRFOUAXGHE-QQFBHYJXSA-N 1 3 348.491 0.672 20 0 ECADHO Cn1ncnc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000992911996 767786477 /nfs/dbraw/zinc/78/64/77/767786477.db2.gz YXEMVUJYCAGUEQ-BZUAXINKSA-N 1 3 346.479 0.628 20 0 ECADHO CC[C@H](C(N)=O)N1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229146 767838399 /nfs/dbraw/zinc/83/83/99/767838399.db2.gz LIBLOPKBCYBMIU-QAPCUYQASA-N 1 3 348.491 0.661 20 0 ECADHO C[C@H](NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1nncn1C ZINC001106599216 768482339 /nfs/dbraw/zinc/48/23/39/768482339.db2.gz DMCIPCBSODSPCV-QLFBSQMISA-N 1 3 336.484 0.902 20 0 ECADHO C[C@@H](NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1nncn1C ZINC001106599217 768482527 /nfs/dbraw/zinc/48/25/27/768482527.db2.gz DMCIPCBSODSPCV-RBSFLKMASA-N 1 3 336.484 0.902 20 0 ECADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1NCC(=O)N1CCC1 ZINC001054969708 768484645 /nfs/dbraw/zinc/48/46/45/768484645.db2.gz STVGMQMSNYQJDR-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1)N(C)C ZINC001106634608 768532867 /nfs/dbraw/zinc/53/28/67/768532867.db2.gz IDGDXXGCSSUTFS-BFYDXBDKSA-N 1 3 338.496 0.489 20 0 ECADHO C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](O)C1 ZINC001083733213 768537663 /nfs/dbraw/zinc/53/76/63/768537663.db2.gz DRGJWFNMFZLKII-YUTCNCBUSA-N 1 3 327.400 0.864 20 0 ECADHO C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](O)C1 ZINC001083733213 768537665 /nfs/dbraw/zinc/53/76/65/768537665.db2.gz DRGJWFNMFZLKII-YUTCNCBUSA-N 1 3 327.400 0.864 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001106705012 768693009 /nfs/dbraw/zinc/69/30/09/768693009.db2.gz NEHBWOBTJAQABG-WZRBSPASSA-N 1 3 348.369 0.950 20 0 ECADHO C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C1CC1 ZINC001106705227 768694272 /nfs/dbraw/zinc/69/42/72/768694272.db2.gz XQYXBIBRAMMTFL-UMVBOHGHSA-N 1 3 347.463 0.551 20 0 ECADHO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705192 768694501 /nfs/dbraw/zinc/69/45/01/768694501.db2.gz WCUOCTVQOGQRMT-QLFBSQMISA-N 1 3 349.479 0.893 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001055413538 768873047 /nfs/dbraw/zinc/87/30/47/768873047.db2.gz ZGEUMQJGMZMWHX-IYBDPMFKSA-N 1 3 338.496 0.587 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1 ZINC001106782918 768949289 /nfs/dbraw/zinc/94/92/89/768949289.db2.gz CBZKSBLEBIMTBG-HZPDHXFCSA-N 1 3 329.485 0.675 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1 ZINC001106784549 768959608 /nfs/dbraw/zinc/95/96/08/768959608.db2.gz JEGWQABIFUFKGV-HZPDHXFCSA-N 1 3 340.512 0.785 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)Cc1c[nH]cn1 ZINC001018274954 769015693 /nfs/dbraw/zinc/01/56/93/769015693.db2.gz BDHKBIHEKFFXDQ-KBPBESRZSA-N 1 3 345.447 0.544 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000993880572 769779544 /nfs/dbraw/zinc/77/95/44/769779544.db2.gz NORVFXCOIAROKF-IAGOWNOFSA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000993870974 769822147 /nfs/dbraw/zinc/82/21/47/769822147.db2.gz UIMRXBDCAWCRLL-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000993871007 769822424 /nfs/dbraw/zinc/82/24/24/769822424.db2.gz VERWCWHGDKCTBO-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000993871007 769822437 /nfs/dbraw/zinc/82/24/37/769822437.db2.gz VERWCWHGDKCTBO-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1)N(C)C ZINC000993933206 769849649 /nfs/dbraw/zinc/84/96/49/769849649.db2.gz SBQNNCCSHCWNLM-ZBFHGGJFSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1)N(C)C ZINC000993933206 769849664 /nfs/dbraw/zinc/84/96/64/769849664.db2.gz SBQNNCCSHCWNLM-ZBFHGGJFSA-N 1 3 338.496 0.632 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000993961968 769900272 /nfs/dbraw/zinc/90/02/72/769900272.db2.gz VNSPBJNTGUOZBV-DLBZAZTESA-N 1 3 348.491 0.815 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000993961968 769900281 /nfs/dbraw/zinc/90/02/81/769900281.db2.gz VNSPBJNTGUOZBV-DLBZAZTESA-N 1 3 348.491 0.815 20 0 ECADHO O=C(CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCCCC1 ZINC001018856764 770109273 /nfs/dbraw/zinc/10/92/73/770109273.db2.gz LSQFYEAPZKIGEM-IRXDYDNUSA-N 1 3 348.491 0.531 20 0 ECADHO O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H](NCc2ccccn2)C1 ZINC001019168564 770981447 /nfs/dbraw/zinc/98/14/47/770981447.db2.gz KBFTZTHGTSNRGG-LBXLTVQDSA-N 1 3 342.443 0.635 20 0 ECADHO O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H](NCc2ccccn2)C1 ZINC001019168564 770981452 /nfs/dbraw/zinc/98/14/52/770981452.db2.gz KBFTZTHGTSNRGG-LBXLTVQDSA-N 1 3 342.443 0.635 20 0 ECADHO CN(C)C1(C(=O)N2CCCO[C@@H](C[NH2+]C[C@H]3CCOC3)C2)CCC1 ZINC001078411025 782893801 /nfs/dbraw/zinc/89/38/01/782893801.db2.gz CLWPJVBGASCXAJ-CVEARBPZSA-N 1 3 339.480 0.714 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1)N(C)C ZINC001019394424 771246284 /nfs/dbraw/zinc/24/62/84/771246284.db2.gz GFIKPDYEELBVMT-ZNMIVQPWSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1)N(C)C ZINC001019394911 771246939 /nfs/dbraw/zinc/24/69/39/771246939.db2.gz QJINHMPVXKDIMB-IMJJTQAJSA-N 1 3 336.480 0.671 20 0 ECADHO CCCN(CCC)C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475162 771305443 /nfs/dbraw/zinc/30/54/43/771305443.db2.gz RWCIWAAVHUJYMG-MRXNPFEDSA-N 1 3 338.496 0.683 20 0 ECADHO CC1(C)C[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN([C@@H]2CCNC2=O)C1 ZINC001089539819 771421581 /nfs/dbraw/zinc/42/15/81/771421581.db2.gz OFVOOZKSWFCTDH-HUUCEWRRSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC[C@@H]1C)NC(=O)CCC[NH+](C)C ZINC001078467585 783004091 /nfs/dbraw/zinc/00/40/91/783004091.db2.gz HWGWRQVIZRSGET-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001078468273 783007387 /nfs/dbraw/zinc/00/73/87/783007387.db2.gz BRUNYYOWQNKMQX-DOTOQJQBSA-N 1 3 349.479 0.612 20 0 ECADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001078468253 783007410 /nfs/dbraw/zinc/00/74/10/783007410.db2.gz BFOUUWADTSXVFP-CVEARBPZSA-N 1 3 337.468 0.467 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001078469198 783009575 /nfs/dbraw/zinc/00/95/75/783009575.db2.gz XUXMCIHTGCTYAP-WBVHZDCISA-N 1 3 349.479 0.612 20 0 ECADHO C[C@H](N[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)c1nnnn1C ZINC001020354906 772486772 /nfs/dbraw/zinc/48/67/72/772486772.db2.gz KAQJRBKLVIATCO-DRZSPHRISA-N 1 3 340.391 0.469 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001078472566 783016906 /nfs/dbraw/zinc/01/69/06/783016906.db2.gz AJKRURIVXWPYBB-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001078472566 783016909 /nfs/dbraw/zinc/01/69/09/783016909.db2.gz AJKRURIVXWPYBB-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020405747 772548813 /nfs/dbraw/zinc/54/88/13/772548813.db2.gz BLNHULSSMSBHMP-SFGPOHQJSA-N 1 3 346.431 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020405747 772548815 /nfs/dbraw/zinc/54/88/15/772548815.db2.gz BLNHULSSMSBHMP-SFGPOHQJSA-N 1 3 346.431 0.583 20 0 ECADHO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)cn1 ZINC001020405914 772549639 /nfs/dbraw/zinc/54/96/39/772549639.db2.gz FHLXYIRRDPQFSR-POMJBESUSA-N 1 3 345.447 0.020 20 0 ECADHO Cn1nccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020405933 772549702 /nfs/dbraw/zinc/54/97/02/772549702.db2.gz GAMITZCNWCEEOL-SUAGGUKUSA-N 1 3 345.447 0.020 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750065 774576127 /nfs/dbraw/zinc/57/61/27/774576127.db2.gz MNBCXBQVUQCSLV-UKRRQHHQSA-N 1 3 343.431 0.820 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751397 774578746 /nfs/dbraw/zinc/57/87/46/774578746.db2.gz SEJYSVHVDGIFLA-HUUCEWRRSA-N 1 3 347.463 0.934 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001045076589 774941900 /nfs/dbraw/zinc/94/19/00/774941900.db2.gz WMVQDYUALBYEOG-CABCVRRESA-N 1 3 334.468 0.770 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001045076589 774941904 /nfs/dbraw/zinc/94/19/04/774941904.db2.gz WMVQDYUALBYEOG-CABCVRRESA-N 1 3 334.468 0.770 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001045311701 775385900 /nfs/dbraw/zinc/38/59/00/775385900.db2.gz PBAFEBDQGSKBOD-IRXDYDNUSA-N 1 3 348.491 0.816 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)c1 ZINC001045321674 775410982 /nfs/dbraw/zinc/41/09/82/775410982.db2.gz GWOSFMZPBARASC-DLBZAZTESA-N 1 3 344.459 0.831 20 0 ECADHO CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN(CCn2cncn2)CC1 ZINC001045439932 775612879 /nfs/dbraw/zinc/61/28/79/775612879.db2.gz CKBUZMIMMZCBHT-MRXNPFEDSA-N 1 3 346.479 0.591 20 0 ECADHO CCCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046715 790441842 /nfs/dbraw/zinc/44/18/42/790441842.db2.gz KYSZPKKFCSLNDM-CVEARBPZSA-N 1 3 334.468 0.762 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044741476 776725224 /nfs/dbraw/zinc/72/52/24/776725224.db2.gz BRFFLANJTLKTTN-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001079807329 776911423 /nfs/dbraw/zinc/91/14/23/776911423.db2.gz RUQOUMNLEVYWJI-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079807329 776911427 /nfs/dbraw/zinc/91/14/27/776911427.db2.gz RUQOUMNLEVYWJI-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001079807337 776911464 /nfs/dbraw/zinc/91/14/64/776911464.db2.gz RZQGTDGOYPPISW-QGZVFWFLSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001079930274 777102436 /nfs/dbraw/zinc/10/24/36/777102436.db2.gz IGXBQJHUTFXYQV-QGZVFWFLSA-N 1 3 340.512 0.972 20 0 ECADHO CCN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080179064 777509856 /nfs/dbraw/zinc/50/98/56/777509856.db2.gz BVRIBVGCDWTQMG-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001080533819 777975517 /nfs/dbraw/zinc/97/55/17/777975517.db2.gz UHOIQSLQBMBTLR-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001080533819 777975523 /nfs/dbraw/zinc/97/55/23/777975523.db2.gz UHOIQSLQBMBTLR-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001080558166 778028214 /nfs/dbraw/zinc/02/82/14/778028214.db2.gz OBMKMNVMYKRADU-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080558166 778028225 /nfs/dbraw/zinc/02/82/25/778028225.db2.gz OBMKMNVMYKRADU-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)CN1CCC[C@@H]1C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080558452 778028788 /nfs/dbraw/zinc/02/87/88/778028788.db2.gz UGWCQQNTCGSDTI-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)CN1CCC[C@@H]1C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080558452 778028794 /nfs/dbraw/zinc/02/87/94/778028794.db2.gz UGWCQQNTCGSDTI-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CC1 ZINC001077618598 781360842 /nfs/dbraw/zinc/36/08/42/781360842.db2.gz NJIYQMLPRBAUQL-IAGOWNOFSA-N 1 3 339.480 0.306 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001077655882 781437715 /nfs/dbraw/zinc/43/77/15/781437715.db2.gz LORFXQJRVVSRDG-GOEBONIOSA-N 1 3 340.512 0.925 20 0 ECADHO CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1NCc1nnc(C)[nH]1 ZINC001037957775 783736095 /nfs/dbraw/zinc/73/60/95/783736095.db2.gz BUQZHGVEOSYMAC-CABCVRRESA-N 1 3 346.479 0.926 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001070407219 783990251 /nfs/dbraw/zinc/99/02/51/783990251.db2.gz AHISPEPPZZDPDJ-GOEBONIOSA-N 1 3 349.479 0.680 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001070407219 783990257 /nfs/dbraw/zinc/99/02/57/783990257.db2.gz AHISPEPPZZDPDJ-GOEBONIOSA-N 1 3 349.479 0.680 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCN2CC2CCOCC2)n1 ZINC001038259562 784076057 /nfs/dbraw/zinc/07/60/57/784076057.db2.gz HNQYQQOLGZQDFO-INIZCTEOSA-N 1 3 349.479 0.675 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001071014970 784419240 /nfs/dbraw/zinc/41/92/40/784419240.db2.gz MANRAVGVHKSGOD-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001071014970 784419245 /nfs/dbraw/zinc/41/92/45/784419245.db2.gz MANRAVGVHKSGOD-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001071020090 784436802 /nfs/dbraw/zinc/43/68/02/784436802.db2.gz PQAONJOJHPTLIA-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO Cn1cncc1[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCO ZINC001070688367 784553750 /nfs/dbraw/zinc/55/37/50/784553750.db2.gz BSPNASCGKMHWML-HUUCEWRRSA-N 1 3 349.479 0.028 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@]2(CCN(CCO)C2)O1 ZINC001071186279 784692148 /nfs/dbraw/zinc/69/21/48/784692148.db2.gz TWWOBSULVLRXSP-DOTOQJQBSA-N 1 3 337.464 0.299 20 0 ECADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@]2(CCN(CCO)C2)O1 ZINC001071203484 784727486 /nfs/dbraw/zinc/72/74/86/784727486.db2.gz BMGZXKWYRQSAAJ-WMLDXEAASA-N 1 3 325.453 0.012 20 0 ECADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001071348460 784990061 /nfs/dbraw/zinc/99/00/61/784990061.db2.gz DWSHVRVRMFWPBH-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001071415192 785063556 /nfs/dbraw/zinc/06/35/56/785063556.db2.gz ALWQUONHXOFREX-CQSZACIVSA-N 1 3 335.452 0.791 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001071415192 785063562 /nfs/dbraw/zinc/06/35/62/785063562.db2.gz ALWQUONHXOFREX-CQSZACIVSA-N 1 3 335.452 0.791 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072287088 785982057 /nfs/dbraw/zinc/98/20/57/785982057.db2.gz RPQQDTQGSQJBND-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001072369305 786091987 /nfs/dbraw/zinc/09/19/87/786091987.db2.gz OAJOMOUOJOSJRA-KBPBESRZSA-N 1 3 330.436 0.960 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001072433440 786178313 /nfs/dbraw/zinc/17/83/13/786178313.db2.gz WIEWKQOMXPHTQY-GJZGRUSLSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001072433439 786178433 /nfs/dbraw/zinc/17/84/33/786178433.db2.gz WIEWKQOMXPHTQY-CABCVRRESA-N 1 3 336.480 0.386 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072480339 786250712 /nfs/dbraw/zinc/25/07/12/786250712.db2.gz CSFOETOVPYMOKR-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1NC(=O)CC[NH+](C)C ZINC001074199137 786430137 /nfs/dbraw/zinc/43/01/37/786430137.db2.gz XWQGTTIJOQVKRB-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073632105 786822901 /nfs/dbraw/zinc/82/29/01/786822901.db2.gz XYEFFXIRCVIRBY-DLBZAZTESA-N 1 3 341.496 0.818 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001073632105 786822908 /nfs/dbraw/zinc/82/29/08/786822908.db2.gz XYEFFXIRCVIRBY-DLBZAZTESA-N 1 3 341.496 0.818 20 0 ECADHO C[C@H](O)CN1CCCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073651866 786874846 /nfs/dbraw/zinc/87/48/46/786874846.db2.gz JCUILJLQJVUZKC-HOTGVXAUSA-N 1 3 339.480 0.450 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)CC[N@@H+]1C ZINC001073745864 787111934 /nfs/dbraw/zinc/11/19/34/787111934.db2.gz JZEBPYASXJAFOS-HRCADAONSA-N 1 3 327.469 0.306 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)CC[N@H+]1C ZINC001073745864 787111936 /nfs/dbraw/zinc/11/19/36/787111936.db2.gz JZEBPYASXJAFOS-HRCADAONSA-N 1 3 327.469 0.306 20 0 ECADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001074652898 787513791 /nfs/dbraw/zinc/51/37/91/787513791.db2.gz LKTGXQZTSFDVOU-DZKIICNBSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001074652898 787513794 /nfs/dbraw/zinc/51/37/94/787513794.db2.gz LKTGXQZTSFDVOU-DZKIICNBSA-N 1 3 336.480 0.705 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074663195 787536432 /nfs/dbraw/zinc/53/64/32/787536432.db2.gz OMKRZCCWGBAJRH-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)[C@@H]2C)CC[N@H+]1C ZINC001074663195 787536441 /nfs/dbraw/zinc/53/64/41/787536441.db2.gz OMKRZCCWGBAJRH-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001074090318 787857733 /nfs/dbraw/zinc/85/77/33/787857733.db2.gz NCPPOYWPTDHBSQ-JSGCOSHPSA-N 1 3 335.452 0.566 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074803796 788358601 /nfs/dbraw/zinc/35/86/01/788358601.db2.gz OJPZHOJZQABINN-XUWVNRHRSA-N 1 3 336.480 0.576 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001072622509 788453032 /nfs/dbraw/zinc/45/30/32/788453032.db2.gz RFBOZDQKXKHIQI-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001072624455 788456115 /nfs/dbraw/zinc/45/61/15/788456115.db2.gz OJJCOGITNGMCRT-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)[C@@H]1C ZINC001074877678 788477123 /nfs/dbraw/zinc/47/71/23/788477123.db2.gz GWWRYVCZIQKZRW-JYJNAYRXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@H]2CCc3ncnn32)CCN1C(=O)Cc1c[nH]cn1 ZINC001074918347 788550096 /nfs/dbraw/zinc/55/00/96/788550096.db2.gz GVAQRYSFEYNQTK-YUTCNCBUSA-N 1 3 329.408 0.310 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)[C@@H]2C)CC1 ZINC001075009652 788716949 /nfs/dbraw/zinc/71/69/49/788716949.db2.gz AMLWCOQYWVRGMP-CWRNSKLLSA-N 1 3 336.480 0.574 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2)C1CC1 ZINC001072814869 788871047 /nfs/dbraw/zinc/87/10/47/788871047.db2.gz NJGOTQQPAVEPOM-OAHLLOKOSA-N 1 3 332.452 0.153 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2)C1CC1 ZINC001072814869 788871056 /nfs/dbraw/zinc/87/10/56/788871056.db2.gz NJGOTQQPAVEPOM-OAHLLOKOSA-N 1 3 332.452 0.153 20 0 ECADHO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C)C(N)=O ZINC001075127326 788943796 /nfs/dbraw/zinc/94/37/96/788943796.db2.gz ANZHWYLBLNSULL-XEZPLFJOSA-N 1 3 332.448 0.815 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C)c(=O)c1)C2)N(C)C ZINC001072848632 788952062 /nfs/dbraw/zinc/95/20/62/788952062.db2.gz FBKOMXIBJNWGJN-MRXNPFEDSA-N 1 3 346.475 0.760 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C)c(=O)c1)C2)N(C)C ZINC001072848632 788952069 /nfs/dbraw/zinc/95/20/69/788952069.db2.gz FBKOMXIBJNWGJN-MRXNPFEDSA-N 1 3 346.475 0.760 20 0 ECADHO CC[N@H+](C)CCC(=O)NC1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001073041331 789330021 /nfs/dbraw/zinc/33/00/21/789330021.db2.gz DSSNWSYTJFKRDW-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001073041331 789330028 /nfs/dbraw/zinc/33/00/28/789330028.db2.gz DSSNWSYTJFKRDW-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073128113 789489444 /nfs/dbraw/zinc/48/94/44/789489444.db2.gz RTVHIFMUBULIBN-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073128113 789489447 /nfs/dbraw/zinc/48/94/47/789489447.db2.gz RTVHIFMUBULIBN-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO CCC1(NC(=O)CC[NH+](C)C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001069252891 789705520 /nfs/dbraw/zinc/70/55/20/789705520.db2.gz GKSAPUOUTVGFHA-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)CC[N@H+](C)CC)N(C)C ZINC001067712900 792171015 /nfs/dbraw/zinc/17/10/15/792171015.db2.gz GBBGRKWXSFVXJM-OAHLLOKOSA-N 1 3 328.501 0.975 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)CC[N@@H+](C)CC)N(C)C ZINC001067712900 792171022 /nfs/dbraw/zinc/17/10/22/792171022.db2.gz GBBGRKWXSFVXJM-OAHLLOKOSA-N 1 3 328.501 0.975 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001067837199 792347524 /nfs/dbraw/zinc/34/75/24/792347524.db2.gz FSFMGSYMWRJGKG-HOTGVXAUSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001067837199 792347534 /nfs/dbraw/zinc/34/75/34/792347534.db2.gz FSFMGSYMWRJGKG-HOTGVXAUSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001283658801 837782049 /nfs/dbraw/zinc/78/20/49/837782049.db2.gz FXLOLLGFJSFZFY-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001283658801 837782057 /nfs/dbraw/zinc/78/20/57/837782057.db2.gz FXLOLLGFJSFZFY-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](CCOCCO)C2)C1 ZINC001266760806 836260753 /nfs/dbraw/zinc/26/07/53/836260753.db2.gz NAYWTJVQLFILGN-HOTGVXAUSA-N 1 3 327.469 0.165 20 0 ECADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](CCOCCO)C2)C1 ZINC001266760806 836260766 /nfs/dbraw/zinc/26/07/66/836260766.db2.gz NAYWTJVQLFILGN-HOTGVXAUSA-N 1 3 327.469 0.165 20 0 ECADHO CCC(CC)NC(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001266827149 836352973 /nfs/dbraw/zinc/35/29/73/836352973.db2.gz LDQCZAPYZHDNTD-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001266854423 836387503 /nfs/dbraw/zinc/38/75/03/836387503.db2.gz NVSLAOCNNAXGLO-UHFFFAOYSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H](C(C)C)N(C)C ZINC001408770473 838380341 /nfs/dbraw/zinc/38/03/41/838380341.db2.gz CRKAAJQSKTXCGU-NVXWUHKLSA-N 1 3 340.512 0.879 20 0 ECADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H](C(C)C)N(C)C ZINC001408770473 838380335 /nfs/dbraw/zinc/38/03/35/838380335.db2.gz CRKAAJQSKTXCGU-NVXWUHKLSA-N 1 3 340.512 0.879 20 0 ECADHO COCCOCCN1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267772217 838527412 /nfs/dbraw/zinc/52/74/12/838527412.db2.gz BCDFALVBOWFYNQ-QGZVFWFLSA-N 1 3 341.496 0.914 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001408829506 838576756 /nfs/dbraw/zinc/57/67/56/838576756.db2.gz SKZNTFCGQXISBC-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001408829506 838576761 /nfs/dbraw/zinc/57/67/61/838576761.db2.gz SKZNTFCGQXISBC-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000354681878 299095374 /nfs/dbraw/zinc/09/53/74/299095374.db2.gz UPLJWKIOIITRCN-MRXNPFEDSA-N 1 3 332.448 0.493 20 0 ECADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000426501128 210154887 /nfs/dbraw/zinc/15/48/87/210154887.db2.gz QPPQZGVJYBXWNY-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000426501128 210154888 /nfs/dbraw/zinc/15/48/88/210154888.db2.gz QPPQZGVJYBXWNY-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)[C@@H]2C1 ZINC000425380634 210048021 /nfs/dbraw/zinc/04/80/21/210048021.db2.gz FEINIMJFKASGEB-LUKYLMHMSA-N 1 3 348.491 0.482 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)[C@@H]2C1 ZINC000425380634 210048022 /nfs/dbraw/zinc/04/80/22/210048022.db2.gz FEINIMJFKASGEB-LUKYLMHMSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000355014900 299184875 /nfs/dbraw/zinc/18/48/75/299184875.db2.gz HHRFGMRCSCXGSU-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000355014900 299184881 /nfs/dbraw/zinc/18/48/81/299184881.db2.gz HHRFGMRCSCXGSU-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000355302332 299235399 /nfs/dbraw/zinc/23/53/99/299235399.db2.gz FEQAIAWGNPZLSI-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423419309 283231639 /nfs/dbraw/zinc/23/16/39/283231639.db2.gz VQYNSADLXCLBES-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CO)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000129368860 223049433 /nfs/dbraw/zinc/04/94/33/223049433.db2.gz LQHDELULWCQBRM-ZIAGYGMSSA-N 1 3 343.493 0.948 20 0 ECADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)C[C@@H](O)C[NH3+])CC1 ZINC000420350208 209357240 /nfs/dbraw/zinc/35/72/40/209357240.db2.gz GBAYMWLPWCRJLB-SFHVURJKSA-N 1 3 348.491 0.281 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420161836 209326783 /nfs/dbraw/zinc/32/67/83/209326783.db2.gz HCAJEBOFGRIAQH-HUUCEWRRSA-N 1 3 336.480 0.792 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000420097930 209304567 /nfs/dbraw/zinc/30/45/67/209304567.db2.gz CSZHPGGUKDLZOF-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000420000460 209273022 /nfs/dbraw/zinc/27/30/22/209273022.db2.gz TYKOUWMPEFAJDB-LBPRGKRZSA-N 1 3 326.466 0.492 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000419948387 209257302 /nfs/dbraw/zinc/25/73/02/209257302.db2.gz ZGBGASKQJQALLO-CQSZACIVSA-N 1 3 326.485 0.668 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000419905199 209246027 /nfs/dbraw/zinc/24/60/27/209246027.db2.gz YOYFJLQALOQPEX-UHFFFAOYSA-N 1 3 342.390 0.191 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000419893895 209241528 /nfs/dbraw/zinc/24/15/28/209241528.db2.gz QJXQDWHUJVOUHW-UHFFFAOYSA-N 1 3 338.427 0.442 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419882758 209236704 /nfs/dbraw/zinc/23/67/04/209236704.db2.gz ISCQZRHUVYPIJT-HRCADAONSA-N 1 3 336.480 0.578 20 0 ECADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)C1CC1 ZINC000419765132 209199966 /nfs/dbraw/zinc/19/99/66/209199966.db2.gz PZWQTXMZPLVONN-KRWDZBQOSA-N 1 3 344.459 0.349 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000419756625 209198142 /nfs/dbraw/zinc/19/81/42/209198142.db2.gz BAXWCYGGQVAXTB-UHFFFAOYSA-N 1 3 326.485 0.825 20 0 ECADHO [NH3+][C@H](CNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419726428 209189438 /nfs/dbraw/zinc/18/94/38/209189438.db2.gz UOFPTQFPRZLQHH-QGZVFWFLSA-N 1 3 344.459 0.621 20 0 ECADHO O=C([C@H]1CCCN1C1CCOCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262115886 296109799 /nfs/dbraw/zinc/10/97/99/296109799.db2.gz VDHYEPWSQWWCDW-DLBZAZTESA-N 1 3 336.480 0.136 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CCC(C)CC1 ZINC000356445773 299390092 /nfs/dbraw/zinc/39/00/92/299390092.db2.gz GDXMGLWNKYXFEW-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C1CCCC1 ZINC000419699127 209176808 /nfs/dbraw/zinc/17/68/08/209176808.db2.gz VOYLPQMQISVKAJ-MRXNPFEDSA-N 1 3 332.448 0.793 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C1CCCC1 ZINC000419699127 209176812 /nfs/dbraw/zinc/17/68/12/209176812.db2.gz VOYLPQMQISVKAJ-MRXNPFEDSA-N 1 3 332.448 0.793 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419698520 209175527 /nfs/dbraw/zinc/17/55/27/209175527.db2.gz PRFBDSXPJSJAET-GJZGRUSLSA-N 1 3 326.485 0.585 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419690312 209172054 /nfs/dbraw/zinc/17/20/54/209172054.db2.gz CXNKQHWSMLMRHX-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419663473 209162531 /nfs/dbraw/zinc/16/25/31/209162531.db2.gz QAZDTJGLQWAAHQ-VYDXJSESSA-N 1 3 346.475 0.867 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000419625459 209147677 /nfs/dbraw/zinc/14/76/77/209147677.db2.gz BDQTUFDKVRLMRP-MRXNPFEDSA-N 1 3 332.448 0.704 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCSC1 ZINC000419576128 209130851 /nfs/dbraw/zinc/13/08/51/209130851.db2.gz BRYPFWGXBHSZNZ-BBRMVZONSA-N 1 3 342.509 0.174 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)N(C)C1CC1 ZINC000419577905 209132562 /nfs/dbraw/zinc/13/25/62/209132562.db2.gz DIHCBUULWHLPOO-LBPRGKRZSA-N 1 3 330.432 0.505 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419581673 209131914 /nfs/dbraw/zinc/13/19/14/209131914.db2.gz JQIRFSGZJGMBFG-WOSRLPQWSA-N 1 3 342.509 0.268 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419960437 284350062 /nfs/dbraw/zinc/35/00/62/284350062.db2.gz DZGKRVNUDQGBQJ-ZBFHGGJFSA-N 1 3 338.496 0.810 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419960437 284350063 /nfs/dbraw/zinc/35/00/63/284350063.db2.gz DZGKRVNUDQGBQJ-ZBFHGGJFSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC2CCN(C)CC2)CC1 ZINC000184708372 299465671 /nfs/dbraw/zinc/46/56/71/299465671.db2.gz RYCJLYKOYHYWIJ-AWEZNQCLSA-N 1 3 326.485 0.815 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C(C)C ZINC000420027086 209281724 /nfs/dbraw/zinc/28/17/24/209281724.db2.gz CCKRDAAZOJUMIU-QWHCGFSZSA-N 1 3 328.457 0.062 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C(C)C ZINC000420027086 209281727 /nfs/dbraw/zinc/28/17/27/209281727.db2.gz CCKRDAAZOJUMIU-QWHCGFSZSA-N 1 3 328.457 0.062 20 0 ECADHO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H]1CN1CCCC1 ZINC000424156117 296279866 /nfs/dbraw/zinc/27/98/66/296279866.db2.gz NPGPNTXXMMOTLA-HUUCEWRRSA-N 1 3 332.452 0.903 20 0 ECADHO CCN(CC)CCC[C@H](C)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000357178388 299532151 /nfs/dbraw/zinc/53/21/51/299532151.db2.gz RPLVQEZURJTGHY-AWEZNQCLSA-N 1 3 347.525 0.780 20 0 ECADHO COCCN1CCN(C(=O)CCCN2CCC([NH3+])CC2)C[C@H]1C ZINC000433139163 285041094 /nfs/dbraw/zinc/04/10/94/285041094.db2.gz VZPSRMPGFAROKI-OAHLLOKOSA-N 1 3 326.485 0.369 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410885524 208014627 /nfs/dbraw/zinc/01/46/27/208014627.db2.gz MAGJFLJOAJZMBL-UHFFFAOYSA-N 1 3 326.485 0.728 20 0 ECADHO CCO[C@H]1C[C@@](CO)(NCC(=O)NC2CC[NH+](CC)CC2)C1(C)C ZINC000411614543 208123996 /nfs/dbraw/zinc/12/39/96/208123996.db2.gz QUCBSVSQQICJEJ-YJBOKZPZSA-N 1 3 341.496 0.743 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@@](C)(C[NH3+])C(C)C)C1 ZINC000430560632 210381494 /nfs/dbraw/zinc/38/14/94/210381494.db2.gz WWXDJTYINAUZNB-WBVHZDCISA-N 1 3 328.501 0.422 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@@](C)(CN)C(C)C)C1 ZINC000430560632 210381496 /nfs/dbraw/zinc/38/14/96/210381496.db2.gz WWXDJTYINAUZNB-WBVHZDCISA-N 1 3 328.501 0.422 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000419023922 296384065 /nfs/dbraw/zinc/38/40/65/296384065.db2.gz KKLLHSFSNSXKHR-KFWWJZLASA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C[C@@H]1C[NH3+] ZINC000418990961 208933778 /nfs/dbraw/zinc/93/37/78/208933778.db2.gz WUURLOKCMPGHNF-PBHICJAKSA-N 1 3 346.475 0.808 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1NC(=O)O[C@@H]1C ZINC000496194383 285248745 /nfs/dbraw/zinc/24/87/45/285248745.db2.gz OQITVEJUFZVNJM-MCIONIFRSA-N 1 3 326.441 0.358 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1NC(=O)O[C@@H]1C ZINC000496194383 285248749 /nfs/dbraw/zinc/24/87/49/285248749.db2.gz OQITVEJUFZVNJM-MCIONIFRSA-N 1 3 326.441 0.358 20 0 ECADHO C[N@H+](C[C@H](O)CN[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC1 ZINC000496826146 255133139 /nfs/dbraw/zinc/13/31/39/255133139.db2.gz FADINLSZFXCWNY-KBXIAJHMSA-N 1 3 325.453 0.896 20 0 ECADHO C[N@@H+](C[C@H](O)CN[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC1 ZINC000496826146 255133140 /nfs/dbraw/zinc/13/31/40/255133140.db2.gz FADINLSZFXCWNY-KBXIAJHMSA-N 1 3 325.453 0.896 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(=O)OC ZINC000494119344 285280485 /nfs/dbraw/zinc/28/04/85/285280485.db2.gz HGEGBTKBWMQXHT-KBPBESRZSA-N 1 3 328.457 0.605 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(=O)OC ZINC000494119344 285280488 /nfs/dbraw/zinc/28/04/88/285280488.db2.gz HGEGBTKBWMQXHT-KBPBESRZSA-N 1 3 328.457 0.605 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419188201 209017519 /nfs/dbraw/zinc/01/75/19/209017519.db2.gz KBYWHJMMONPZJI-HNNXBMFYSA-N 1 3 346.475 0.663 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000419198953 209020893 /nfs/dbraw/zinc/02/08/93/209020893.db2.gz DAKLLGPVNMJBEE-OAHLLOKOSA-N 1 3 348.447 0.193 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419424440 209090604 /nfs/dbraw/zinc/09/06/04/209090604.db2.gz OCROZKIXWXUFMA-CQSZACIVSA-N 1 3 332.448 0.357 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232488 209035560 /nfs/dbraw/zinc/03/55/60/209035560.db2.gz UQNPPYKLGXKFCV-NUEKZKHPSA-N 1 3 336.480 0.563 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419282753 209050001 /nfs/dbraw/zinc/05/00/01/209050001.db2.gz IRYIQXRJOUFTID-CHWSQXEVSA-N 1 3 328.457 0.064 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419282753 209050003 /nfs/dbraw/zinc/05/00/03/209050003.db2.gz IRYIQXRJOUFTID-CHWSQXEVSA-N 1 3 328.457 0.064 20 0 ECADHO [NH3+][C@H](CNC(=O)C(=O)NCCCN1CCc2ccccc2C1)C1CC1 ZINC000419422167 209090117 /nfs/dbraw/zinc/09/01/17/209090117.db2.gz LZALKVMIGQLYJT-QGZVFWFLSA-N 1 3 344.459 0.405 20 0 ECADHO CC(C)N1CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC000155150912 296700539 /nfs/dbraw/zinc/70/05/39/296700539.db2.gz FCOHKVZLKDBXSC-AWEZNQCLSA-N 1 3 327.473 0.131 20 0 ECADHO COCCNCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188985646 165004587 /nfs/dbraw/zinc/00/45/87/165004587.db2.gz GQYHGLYNNHSEDI-IUODEOHRSA-N 1 3 327.375 0.763 20 0 ECADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1CO ZINC000190423577 165021528 /nfs/dbraw/zinc/02/15/28/165021528.db2.gz MHDRNDJEVUMTDC-PBHICJAKSA-N 1 3 338.496 0.957 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000261537537 165213372 /nfs/dbraw/zinc/21/33/72/165213372.db2.gz MHGFEKCSXLKACT-KRWDZBQOSA-N 1 3 334.464 0.676 20 0 ECADHO CO[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@H](C[NH3+])C1 ZINC000261619428 165216446 /nfs/dbraw/zinc/21/64/46/165216446.db2.gz BSSZNCSMGZKVKZ-GJZGRUSLSA-N 1 3 341.477 0.875 20 0 ECADHO NS(=O)(=O)c1ccc(OCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261808498 165245239 /nfs/dbraw/zinc/24/52/39/165245239.db2.gz GFHIFXRNQIGUBX-APHBMKBZSA-N 1 3 339.461 0.772 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000262609467 165367679 /nfs/dbraw/zinc/36/76/79/165367679.db2.gz CIJDXGDRJIVXQQ-YVSFHVDLSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@@H]1CN ZINC000423743170 287323571 /nfs/dbraw/zinc/32/35/71/287323571.db2.gz VKBFAJYAUVIXKJ-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1CN ZINC000419662467 287324886 /nfs/dbraw/zinc/32/48/86/287324886.db2.gz HTMNVCJYPIQGAI-CABCVRRESA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000167213117 226184066 /nfs/dbraw/zinc/18/40/66/226184066.db2.gz OMBKHUDSNFFBEY-INIZCTEOSA-N 1 3 332.448 0.818 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000168375405 226214231 /nfs/dbraw/zinc/21/42/31/226214231.db2.gz LYBAETZGIZHXSN-INIZCTEOSA-N 1 3 332.448 0.594 20 0 ECADHO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1[C@H](C)CC[C@@H]1C ZINC000102788427 263145453 /nfs/dbraw/zinc/14/54/53/263145453.db2.gz KBPSJZYFEAQDHS-FZKCQIBNSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1[C@H](C)CC[C@@H]1C ZINC000102788427 263145455 /nfs/dbraw/zinc/14/54/55/263145455.db2.gz KBPSJZYFEAQDHS-FZKCQIBNSA-N 1 3 338.496 0.951 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH+](CC3CC3)CC2)CC1=O ZINC000174072214 263149382 /nfs/dbraw/zinc/14/93/82/263149382.db2.gz QYRNVLFAPJIXJA-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCCN(C)C2CC2)c1 ZINC000285128293 264281999 /nfs/dbraw/zinc/28/19/99/264281999.db2.gz RKZFHOJCQNODCH-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCCN(C)C2CC2)c1 ZINC000285128293 264282001 /nfs/dbraw/zinc/28/20/01/264282001.db2.gz RKZFHOJCQNODCH-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418832843 274385046 /nfs/dbraw/zinc/38/50/46/274385046.db2.gz HPNDABLQJSBTSW-PVAVHDDUSA-N 1 3 346.475 0.471 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423255674 287852772 /nfs/dbraw/zinc/85/27/72/287852772.db2.gz AMLJCAXHZQBBND-IIDMSEBBSA-N 1 3 336.480 0.517 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000419417056 277300605 /nfs/dbraw/zinc/30/06/05/277300605.db2.gz HQWNGNRZQKNQSS-IRXDYDNUSA-N 1 3 344.459 0.760 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000419112119 278867632 /nfs/dbraw/zinc/86/76/32/278867632.db2.gz FHHFBYUGDQQZSS-GDBMZVCRSA-N 1 3 338.496 0.809 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000411016650 279166103 /nfs/dbraw/zinc/16/61/03/279166103.db2.gz ARQVHRGDZXPGMJ-CVEARBPZSA-N 1 3 338.496 0.870 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1=O ZINC000248596118 279305923 /nfs/dbraw/zinc/30/59/23/279305923.db2.gz ICNRFUKCOFUFHK-JZAWBGDQSA-N 1 3 348.491 0.515 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000449736689 279331003 /nfs/dbraw/zinc/33/10/03/279331003.db2.gz XGYOPUPQKCPOMJ-VVLHAWIVSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000340214415 437603404 /nfs/dbraw/zinc/60/34/04/437603404.db2.gz MKOJPNVDIVJMEP-LSDHHAIUSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000340214415 437603408 /nfs/dbraw/zinc/60/34/08/437603408.db2.gz MKOJPNVDIVJMEP-LSDHHAIUSA-N 1 3 336.480 0.435 20 0 ECADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCN2CC[NH2+]CC2)cc1 ZINC000423200857 280926660 /nfs/dbraw/zinc/92/66/60/280926660.db2.gz GSLCRGZAMDGDCE-HNNXBMFYSA-N 1 3 325.478 0.652 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000422192954 289068361 /nfs/dbraw/zinc/06/83/61/289068361.db2.gz ZRQQJTCGYNFJHW-MRXNPFEDSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCC[NH2+]C1 ZINC000420106364 289165467 /nfs/dbraw/zinc/16/54/67/289165467.db2.gz RTNILWANZUOYJY-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000340296052 437616935 /nfs/dbraw/zinc/61/69/35/437616935.db2.gz SNLJGBMJPJNJPQ-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000332638339 297061542 /nfs/dbraw/zinc/06/15/42/297061542.db2.gz XVSSIIABQWUHFX-CAOSSQGBSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000332638339 297061543 /nfs/dbraw/zinc/06/15/43/297061543.db2.gz XVSSIIABQWUHFX-CAOSSQGBSA-N 1 3 336.480 0.671 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C1CCCC1 ZINC000420078393 295242189 /nfs/dbraw/zinc/24/21/89/295242189.db2.gz ZJUAAGSGYPTTAU-JKSUJKDBSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420073048 295246462 /nfs/dbraw/zinc/24/64/62/295246462.db2.gz XWPMAMLUIITFGO-JYJNAYRXSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423222795 295414591 /nfs/dbraw/zinc/41/45/91/295414591.db2.gz CPQLDHVETDUPNT-BBWFWOEESA-N 1 3 348.491 0.531 20 0 ECADHO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](N2CCCC2)C1 ZINC000423674827 295420261 /nfs/dbraw/zinc/42/02/61/295420261.db2.gz AXVZZTCIHZMNIO-PMPSAXMXSA-N 1 3 334.464 0.426 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000332966637 297094033 /nfs/dbraw/zinc/09/40/33/297094033.db2.gz OSFSRLCDFNISNU-HOCLYGCPSA-N 1 3 349.479 0.171 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000332966637 297094034 /nfs/dbraw/zinc/09/40/34/297094034.db2.gz OSFSRLCDFNISNU-HOCLYGCPSA-N 1 3 349.479 0.171 20 0 ECADHO O[C@H](CN1C[C@H]2CC[C@@H](O)C[C@@H]2C1)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333333337 297125860 /nfs/dbraw/zinc/12/58/60/297125860.db2.gz CZYVVMDXJHALBD-JSALWVARSA-N 1 3 338.492 0.533 20 0 ECADHO O[C@H](CN1C[C@H]2CC[C@@H](O)C[C@@H]2C1)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333333337 297125862 /nfs/dbraw/zinc/12/58/62/297125862.db2.gz CZYVVMDXJHALBD-JSALWVARSA-N 1 3 338.492 0.533 20 0 ECADHO O[C@@H](CN1C[C@@H]2CC[C@H](O)C[C@H]2C1)C[N@@H+]1C[C@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333333337 297125863 /nfs/dbraw/zinc/12/58/63/297125863.db2.gz CZYVVMDXJHALBD-JSALWVARSA-N 1 3 338.492 0.533 20 0 ECADHO O[C@@H](CN1C[C@@H]2CC[C@H](O)C[C@H]2C1)C[N@H+]1C[C@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333333337 297125865 /nfs/dbraw/zinc/12/58/65/297125865.db2.gz CZYVVMDXJHALBD-JSALWVARSA-N 1 3 338.492 0.533 20 0 ECADHO CCN1CCCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000333398992 297130931 /nfs/dbraw/zinc/13/09/31/297130931.db2.gz YLVCPCVQORCNES-UHFFFAOYSA-N 1 3 333.440 0.446 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333852903 297152231 /nfs/dbraw/zinc/15/22/31/297152231.db2.gz XQMAMYRZLFRMEN-IKGGRYGDSA-N 1 3 337.512 0.796 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)N1CCN(C)CC1 ZINC000333921651 297155634 /nfs/dbraw/zinc/15/56/34/297155634.db2.gz QVBJYCQOLHFZOK-JYJNAYRXSA-N 1 3 325.501 0.650 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCN(CC)CC)CC1 ZINC000339575540 297360778 /nfs/dbraw/zinc/36/07/78/297360778.db2.gz GXQLFNWBIHWBAT-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)NCCN(CC)CC)CC1 ZINC000339576293 297361007 /nfs/dbraw/zinc/36/10/07/297361007.db2.gz ZCEPXTDHDXNEMF-UHFFFAOYSA-N 1 3 326.485 0.825 20 0 ECADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339634499 297366672 /nfs/dbraw/zinc/36/66/72/297366672.db2.gz WRJHBCPMQYVPGE-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339635981 297367570 /nfs/dbraw/zinc/36/75/70/297367570.db2.gz JFKBEGFJGZOYQN-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339635981 297367572 /nfs/dbraw/zinc/36/75/72/297367572.db2.gz JFKBEGFJGZOYQN-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCCS(=O)(=O)NC)[C@@H](C)C1 ZINC000346541393 298290678 /nfs/dbraw/zinc/29/06/78/298290678.db2.gz DVZYOUKFKQEVMY-GJZGRUSLSA-N 1 3 335.514 0.652 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCCS(=O)(=O)NC)[C@@H](C)C1 ZINC000346541393 298290680 /nfs/dbraw/zinc/29/06/80/298290680.db2.gz DVZYOUKFKQEVMY-GJZGRUSLSA-N 1 3 335.514 0.652 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000347048472 298394391 /nfs/dbraw/zinc/39/43/91/298394391.db2.gz LXLZXCVVSUHOBO-CABCVRRESA-N 1 3 328.457 0.117 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000347048472 298394393 /nfs/dbraw/zinc/39/43/93/298394393.db2.gz LXLZXCVVSUHOBO-CABCVRRESA-N 1 3 328.457 0.117 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CCN(Cc2ccccc2)CC1 ZINC000351535197 298778868 /nfs/dbraw/zinc/77/88/68/298778868.db2.gz DKIORUQFWRQASU-KRWDZBQOSA-N 1 3 344.459 0.635 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1=O ZINC000361461305 300098028 /nfs/dbraw/zinc/09/80/28/300098028.db2.gz IJMXLUSZVXAEFB-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1=O ZINC000361461305 300098031 /nfs/dbraw/zinc/09/80/31/300098031.db2.gz IJMXLUSZVXAEFB-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000362571043 300200095 /nfs/dbraw/zinc/20/00/95/300200095.db2.gz UUJFFPCLTGYKTH-CABCVRRESA-N 1 3 347.463 0.671 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000072875124 436059646 /nfs/dbraw/zinc/05/96/46/436059646.db2.gz YRLLVVMAFSKCNV-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000072875124 436059653 /nfs/dbraw/zinc/05/96/53/436059653.db2.gz YRLLVVMAFSKCNV-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CC[NH+](CC)CCCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000073437180 436078316 /nfs/dbraw/zinc/07/83/16/436078316.db2.gz RNVKUWVWOXPXMH-INIZCTEOSA-N 1 3 327.517 0.901 20 0 ECADHO C[N@@H+]1CC[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000375889347 301218773 /nfs/dbraw/zinc/21/87/73/301218773.db2.gz ONTGFZMTPNQKGL-ULQDDVLXSA-N 1 3 344.459 0.864 20 0 ECADHO C[N@H+]1CC[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000375889347 301218776 /nfs/dbraw/zinc/21/87/76/301218776.db2.gz ONTGFZMTPNQKGL-ULQDDVLXSA-N 1 3 344.459 0.864 20 0 ECADHO CN1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000375889347 301218778 /nfs/dbraw/zinc/21/87/78/301218778.db2.gz ONTGFZMTPNQKGL-ULQDDVLXSA-N 1 3 344.459 0.864 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)N1CCN(C)CC1 ZINC000376586632 301274111 /nfs/dbraw/zinc/27/41/11/301274111.db2.gz XOTZFRXFIYWKPP-KRWDZBQOSA-N 1 3 337.512 0.748 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000079167763 436290712 /nfs/dbraw/zinc/29/07/12/436290712.db2.gz IOHBQAXRGGNJTI-DLBZAZTESA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000079167763 436290717 /nfs/dbraw/zinc/29/07/17/436290717.db2.gz IOHBQAXRGGNJTI-DLBZAZTESA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)C/C=C\C(=O)N[C@H]1CC[C@H](NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000492867495 301511269 /nfs/dbraw/zinc/51/12/69/301511269.db2.gz XLUGQURAADLYNO-SWPUVDOPSA-N 1 3 336.480 0.766 20 0 ECADHO CN1CCN([C@H]2CCCCN(C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000091855232 436463575 /nfs/dbraw/zinc/46/35/75/436463575.db2.gz LBUBXFLKQAFFBL-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCN([C@H]2CCCCN(C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000091855232 436463580 /nfs/dbraw/zinc/46/35/80/436463580.db2.gz LBUBXFLKQAFFBL-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000521044949 301784005 /nfs/dbraw/zinc/78/40/05/301784005.db2.gz CXGREQSRFZNTDY-PBHICJAKSA-N 1 3 344.459 0.481 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)CN3CSCC3=O)CC2)CC1 ZINC000050801205 436477585 /nfs/dbraw/zinc/47/75/85/436477585.db2.gz DNNLIQFDDQPIOQ-UHFFFAOYSA-N 1 3 340.493 0.194 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000535631343 302121960 /nfs/dbraw/zinc/12/19/60/302121960.db2.gz LCQJCQSUCZVXBW-KSZLIROESA-N 1 3 331.460 0.937 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000535631343 302121963 /nfs/dbraw/zinc/12/19/63/302121963.db2.gz LCQJCQSUCZVXBW-KSZLIROESA-N 1 3 331.460 0.937 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000114177382 436640097 /nfs/dbraw/zinc/64/00/97/436640097.db2.gz LVMLXXMUCKOBBI-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000114177382 436640098 /nfs/dbraw/zinc/64/00/98/436640098.db2.gz LVMLXXMUCKOBBI-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000540960693 302181482 /nfs/dbraw/zinc/18/14/82/302181482.db2.gz NCWOXBLYPJWHSN-CQSZACIVSA-N 1 3 339.484 0.132 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CCC[NH+](C)C ZINC000543680892 302216593 /nfs/dbraw/zinc/21/65/93/302216593.db2.gz RZKBKYVNZLZBTA-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CCSCC1 ZINC000552436377 302392731 /nfs/dbraw/zinc/39/27/31/302392731.db2.gz ARFKRCMCNASYJW-UHFFFAOYSA-N 1 3 344.525 0.198 20 0 ECADHO CN(CCCS(=O)(=O)N(C)C)CCN(C)C1CC[NH+](C)CC1 ZINC000119721524 436671623 /nfs/dbraw/zinc/67/16/23/436671623.db2.gz ZMGFCHKOIGNJJW-UHFFFAOYSA-N 1 3 334.530 0.226 20 0 ECADHO COCC[NH2+]CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000237202359 436727461 /nfs/dbraw/zinc/72/74/61/436727461.db2.gz SVBKCINPYPQXCU-UHFFFAOYSA-N 1 3 334.464 0.286 20 0 ECADHO C[C@@H]([NH3+])C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000237454563 436735429 /nfs/dbraw/zinc/73/54/29/436735429.db2.gz HCLFINRCYGANPJ-CVEARBPZSA-N 1 3 331.464 0.789 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccnc1N(C)C ZINC000153479596 436756706 /nfs/dbraw/zinc/75/67/06/436756706.db2.gz JYZAZBQHYWHKBO-UHFFFAOYSA-N 1 3 336.484 0.782 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)CN(C)[C@@H]2CCSC2)CC1 ZINC000154367465 436778064 /nfs/dbraw/zinc/77/80/64/436778064.db2.gz LDMZFPUGUBPBSS-OAHLLOKOSA-N 1 3 328.526 0.568 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246453583 436778813 /nfs/dbraw/zinc/77/88/13/436778813.db2.gz URBKPEMOMYAMQZ-HOTGVXAUSA-N 1 3 327.517 0.899 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246453583 436778818 /nfs/dbraw/zinc/77/88/18/436778818.db2.gz URBKPEMOMYAMQZ-HOTGVXAUSA-N 1 3 327.517 0.899 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000126814283 436793895 /nfs/dbraw/zinc/79/38/95/436793895.db2.gz QBZUDFZPWQJLQP-GOSISDBHSA-N 1 3 348.491 0.627 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000131735573 436856353 /nfs/dbraw/zinc/85/63/53/436856353.db2.gz UOMCBXBMTCTAKE-RDJZCZTQSA-N 1 3 328.501 0.966 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000131735573 436856355 /nfs/dbraw/zinc/85/63/55/436856355.db2.gz UOMCBXBMTCTAKE-RDJZCZTQSA-N 1 3 328.501 0.966 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261545805 436879660 /nfs/dbraw/zinc/87/96/60/436879660.db2.gz GGURYMQDSZKKJI-SFHVURJKSA-N 1 3 346.475 0.867 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000171191289 436972217 /nfs/dbraw/zinc/97/22/17/436972217.db2.gz RFVZVURSWQQSNK-QGZVFWFLSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331455574 437100506 /nfs/dbraw/zinc/10/05/06/437100506.db2.gz DKNJZNVMZVYWJT-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331455574 437100510 /nfs/dbraw/zinc/10/05/10/437100510.db2.gz DKNJZNVMZVYWJT-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000331483594 437102964 /nfs/dbraw/zinc/10/29/64/437102964.db2.gz XPGQICLFQPBCIJ-QKPAOTATSA-N 1 3 336.480 0.420 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000331495324 437107026 /nfs/dbraw/zinc/10/70/26/437107026.db2.gz YWRHQZPIYCLHBJ-LSDHHAIUSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000331522411 437112666 /nfs/dbraw/zinc/11/26/66/437112666.db2.gz FDQXJCUAVHTQPZ-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000331522411 437112672 /nfs/dbraw/zinc/11/26/72/437112672.db2.gz FDQXJCUAVHTQPZ-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000333607964 437278059 /nfs/dbraw/zinc/27/80/59/437278059.db2.gz QFISWHBQPMZARP-CVEARBPZSA-N 1 3 330.432 0.816 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000333805235 437288830 /nfs/dbraw/zinc/28/88/30/437288830.db2.gz ILTRIAYJVOPMQT-UHFFFAOYSA-N 1 3 337.512 0.799 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182331232 437346220 /nfs/dbraw/zinc/34/62/20/437346220.db2.gz MBEHFYWCMMDKQM-MRXNPFEDSA-N 1 3 327.517 0.996 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000183250979 437381145 /nfs/dbraw/zinc/38/11/45/437381145.db2.gz RJJSZZHBUNRZNF-JKSUJKDBSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000183250979 437381150 /nfs/dbraw/zinc/38/11/50/437381150.db2.gz RJJSZZHBUNRZNF-JKSUJKDBSA-N 1 3 337.512 0.891 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000339582666 437474636 /nfs/dbraw/zinc/47/46/36/437474636.db2.gz ZEVYFCBDOXBBJV-OAHLLOKOSA-N 1 3 342.484 0.062 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000339582666 437474639 /nfs/dbraw/zinc/47/46/39/437474639.db2.gz ZEVYFCBDOXBBJV-OAHLLOKOSA-N 1 3 342.484 0.062 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339638014 437481492 /nfs/dbraw/zinc/48/14/92/437481492.db2.gz YRQWMPBHIICRIH-UHFFFAOYSA-N 1 3 342.484 0.012 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000339637749 437481501 /nfs/dbraw/zinc/48/15/01/437481501.db2.gz UECCDWUSTRGCHJ-GDBMZVCRSA-N 1 3 338.496 0.917 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000339669805 437488288 /nfs/dbraw/zinc/48/82/88/437488288.db2.gz IOTHVYAPPHVCEF-UHFFFAOYSA-N 1 3 326.485 0.633 20 0 ECADHO CNC(=O)C[C@@H](C)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268968097 437443236 /nfs/dbraw/zinc/44/32/36/437443236.db2.gz YUHZNFRYPXLEGM-RHSMWYFYSA-N 1 3 346.475 0.998 20 0 ECADHO CNC(=O)C[C@@H](C)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268968097 437443242 /nfs/dbraw/zinc/44/32/42/437443242.db2.gz YUHZNFRYPXLEGM-RHSMWYFYSA-N 1 3 346.475 0.998 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000187935275 437519062 /nfs/dbraw/zinc/51/90/62/437519062.db2.gz FUCGLJGUDAGNDU-HDEZJCGLSA-N 1 3 339.480 0.711 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000360171335 437545550 /nfs/dbraw/zinc/54/55/50/437545550.db2.gz NWTFFVLYIIUBRE-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000360171335 437545556 /nfs/dbraw/zinc/54/55/56/437545556.db2.gz NWTFFVLYIIUBRE-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)N1CCN(C)CC1 ZINC000343342343 437563161 /nfs/dbraw/zinc/56/31/61/437563161.db2.gz MLIVAGZIUZLZSL-KRWDZBQOSA-N 1 3 337.512 0.820 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)N1CCN(C)CC1 ZINC000343342343 437563162 /nfs/dbraw/zinc/56/31/62/437563162.db2.gz MLIVAGZIUZLZSL-KRWDZBQOSA-N 1 3 337.512 0.820 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000343683196 437628198 /nfs/dbraw/zinc/62/81/98/437628198.db2.gz VBUPZACNNQXXIL-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340482891 437662928 /nfs/dbraw/zinc/66/29/28/437662928.db2.gz GGSYFQFPDYOQMS-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340482891 437662932 /nfs/dbraw/zinc/66/29/32/437662932.db2.gz GGSYFQFPDYOQMS-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000340508602 437677538 /nfs/dbraw/zinc/67/75/38/437677538.db2.gz ZPALTIIEBXEPPB-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000355407957 437705535 /nfs/dbraw/zinc/70/55/35/437705535.db2.gz DJAGRMYTJZZCKX-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)CN1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000193268592 437706461 /nfs/dbraw/zinc/70/64/61/437706461.db2.gz NMXYJIGCLOXBEB-UHFFFAOYSA-N 1 3 339.528 0.996 20 0 ECADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000415250706 437771369 /nfs/dbraw/zinc/77/13/69/437771369.db2.gz HPEYMJGAEJREIB-GOEBONIOSA-N 1 3 330.432 0.897 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000362240946 437725511 /nfs/dbraw/zinc/72/55/11/437725511.db2.gz WYLXPDNARCSNHF-OAHLLOKOSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000362240946 437725515 /nfs/dbraw/zinc/72/55/15/437725515.db2.gz WYLXPDNARCSNHF-OAHLLOKOSA-N 1 3 337.468 0.029 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000423603645 437773479 /nfs/dbraw/zinc/77/34/79/437773479.db2.gz FGMFDSSAWWEBHO-UHFFFAOYSA-N 1 3 340.493 0.706 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCC1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000355868641 437736974 /nfs/dbraw/zinc/73/69/74/437736974.db2.gz YKWQPOVZRSVRFQ-AWEZNQCLSA-N 1 3 336.480 0.601 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423745318 437824425 /nfs/dbraw/zinc/82/44/25/437824425.db2.gz MFBQVTRKFPXGHB-IAGOWNOFSA-N 1 3 349.479 0.990 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415293602 437777323 /nfs/dbraw/zinc/77/73/23/437777323.db2.gz JJWANMXAFNALKT-HNNXBMFYSA-N 1 3 348.447 0.904 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415360902 437790748 /nfs/dbraw/zinc/79/07/48/437790748.db2.gz MVHVSIRVINNGKP-UHFFFAOYSA-N 1 3 348.447 0.825 20 0 ECADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423659999 437795403 /nfs/dbraw/zinc/79/54/03/437795403.db2.gz FTHOXTMOINSOPO-MRXNPFEDSA-N 1 3 338.496 0.907 20 0 ECADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423659999 437795408 /nfs/dbraw/zinc/79/54/08/437795408.db2.gz FTHOXTMOINSOPO-MRXNPFEDSA-N 1 3 338.496 0.907 20 0 ECADHO C[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)N1CCSCC1 ZINC000356637482 437804062 /nfs/dbraw/zinc/80/40/62/437804062.db2.gz DSSJWAIXTGIDBA-HNNXBMFYSA-N 1 3 330.542 0.766 20 0 ECADHO C[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)N1CCSCC1 ZINC000356637482 437804068 /nfs/dbraw/zinc/80/40/68/437804068.db2.gz DSSJWAIXTGIDBA-HNNXBMFYSA-N 1 3 330.542 0.766 20 0 ECADHO C[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)N1CCSCC1 ZINC000356637482 437804070 /nfs/dbraw/zinc/80/40/70/437804070.db2.gz DSSJWAIXTGIDBA-HNNXBMFYSA-N 1 3 330.542 0.766 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN3CCC2CC3)C1 ZINC000341193772 437812755 /nfs/dbraw/zinc/81/27/55/437812755.db2.gz PSGBUUVAHZWTHJ-CQSZACIVSA-N 1 3 337.468 0.063 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN3CCC2CC3)C1 ZINC000341193772 437812760 /nfs/dbraw/zinc/81/27/60/437812760.db2.gz PSGBUUVAHZWTHJ-CQSZACIVSA-N 1 3 337.468 0.063 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423776085 437829683 /nfs/dbraw/zinc/82/96/83/437829683.db2.gz NHKSUDQXGGIPHN-PVAVHDDUSA-N 1 3 344.459 0.491 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1=O ZINC000423963098 437867419 /nfs/dbraw/zinc/86/74/19/437867419.db2.gz DZOOHCYENYURBR-IXDOHACOSA-N 1 3 344.459 0.268 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415613308 437831925 /nfs/dbraw/zinc/83/19/25/437831925.db2.gz LYZMRSDPQHADFB-BBRMVZONSA-N 1 3 348.447 0.680 20 0 ECADHO COCC[C@]1(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC[NH2+]C1 ZINC000370775066 437836504 /nfs/dbraw/zinc/83/65/04/437836504.db2.gz UTJUMYZAUTYPAZ-NVXWUHKLSA-N 1 3 326.485 0.002 20 0 ECADHO O=C(COC1C[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423849865 437840546 /nfs/dbraw/zinc/84/05/46/437840546.db2.gz PHGJXXHLVSMHJX-KRWDZBQOSA-N 1 3 333.432 0.382 20 0 ECADHO Cn1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c(-c2ccncc2)n1 ZINC000347172056 437844568 /nfs/dbraw/zinc/84/45/68/437844568.db2.gz OCLUSQMUAPGDTC-OAHLLOKOSA-N 1 3 342.447 0.769 20 0 ECADHO CN(C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CNC1 ZINC000415730375 437848354 /nfs/dbraw/zinc/84/83/54/437848354.db2.gz CZOLLISZEBGNBC-UHFFFAOYSA-N 1 3 330.432 0.694 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])ccc1OCCN(C)C ZINC000415807858 437860833 /nfs/dbraw/zinc/86/08/33/437860833.db2.gz NHDYPVRNZICQFX-QWHCGFSZSA-N 1 3 336.436 0.726 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])ccc1OCCN(C)C ZINC000415807857 437860901 /nfs/dbraw/zinc/86/09/01/437860901.db2.gz NHDYPVRNZICQFX-OLZOCXBDSA-N 1 3 336.436 0.726 20 0 ECADHO C[C@H](C(=O)NCC1(N(C)C)CC1)[C@H](C)C(=O)NCC1([NH+](C)C)CC1 ZINC000416305116 437914289 /nfs/dbraw/zinc/91/42/89/437914289.db2.gz ALNLPQYCXKQTAA-KBPBESRZSA-N 1 3 338.496 0.679 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371231532 437902174 /nfs/dbraw/zinc/90/21/74/437902174.db2.gz WSDWGWVNOVMWSA-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1[C@H](C)CC[C@@H]1C ZINC000341847053 437908891 /nfs/dbraw/zinc/90/88/91/437908891.db2.gz KBPSJZYFEAQDHS-QXSJWSMHSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1[C@H](C)CC[C@@H]1C ZINC000341847053 437908896 /nfs/dbraw/zinc/90/88/96/437908896.db2.gz KBPSJZYFEAQDHS-QXSJWSMHSA-N 1 3 338.496 0.951 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)c1 ZINC000424475070 437949260 /nfs/dbraw/zinc/94/92/60/437949260.db2.gz YQLFQYYBPDDKPC-UHFFFAOYSA-N 1 3 344.419 0.789 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000342048421 437951343 /nfs/dbraw/zinc/95/13/43/437951343.db2.gz YCLQIFSWHVRRLW-OAHLLOKOSA-N 1 3 326.485 0.824 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000342048421 437951345 /nfs/dbraw/zinc/95/13/45/437951345.db2.gz YCLQIFSWHVRRLW-OAHLLOKOSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)N(C)C1CC1 ZINC000342057157 437953316 /nfs/dbraw/zinc/95/33/16/437953316.db2.gz OSMPYSALUCYYOM-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH2+]CCC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000357230742 437937223 /nfs/dbraw/zinc/93/72/23/437937223.db2.gz XYIIRWORTPBFNC-UHFFFAOYSA-N 1 3 334.464 0.885 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000357682514 438041579 /nfs/dbraw/zinc/04/15/79/438041579.db2.gz PHGAVVFEGJOISU-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000417432233 438049674 /nfs/dbraw/zinc/04/96/74/438049674.db2.gz SMVULOITHKFFIC-CABCVRRESA-N 1 3 339.484 0.370 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2CNCCO2)c1 ZINC000416975760 438011389 /nfs/dbraw/zinc/01/13/89/438011389.db2.gz OMZFZSNGZAQMNV-INIZCTEOSA-N 1 3 336.436 0.415 20 0 ECADHO C[NH+](C)CCOc1cc(CNC(=O)N2CCNC(C)(C)C2)ccn1 ZINC000417941577 438093332 /nfs/dbraw/zinc/09/33/32/438093332.db2.gz ASLKGXTZSWCPPW-UHFFFAOYSA-N 1 3 335.452 0.915 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000348759523 438093844 /nfs/dbraw/zinc/09/38/44/438093844.db2.gz BHXQAWYJGORGFZ-CABCVRRESA-N 1 3 336.480 0.601 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000348759523 438093848 /nfs/dbraw/zinc/09/38/48/438093848.db2.gz BHXQAWYJGORGFZ-CABCVRRESA-N 1 3 336.480 0.601 20 0 ECADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417754541 438076170 /nfs/dbraw/zinc/07/61/70/438076170.db2.gz PRXHUQTUTCMNPI-JKSUJKDBSA-N 1 3 326.485 0.986 20 0 ECADHO CCCN[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000417778468 438079359 /nfs/dbraw/zinc/07/93/59/438079359.db2.gz FWNXZKYSQJNPMB-NSHDSACASA-N 1 3 328.438 0.250 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000418173116 438114129 /nfs/dbraw/zinc/11/41/29/438114129.db2.gz PYZYKIUMORBNPP-CABCVRRESA-N 1 3 325.501 0.829 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccncc1OCCN(C)C ZINC000418192246 438117747 /nfs/dbraw/zinc/11/77/47/438117747.db2.gz MEEXVMXVGDBLJP-HIFRSBDPSA-N 1 3 335.452 0.819 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C(=O)CCOC2CNC2)CC1 ZINC000348985806 438123845 /nfs/dbraw/zinc/12/38/45/438123845.db2.gz AYGXBJZCUVVTGR-UHFFFAOYSA-N 1 3 327.469 0.714 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418299100 438126602 /nfs/dbraw/zinc/12/66/02/438126602.db2.gz KGUYHZUGSOKBFE-UHFFFAOYSA-N 1 3 325.501 0.844 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000418336681 438133760 /nfs/dbraw/zinc/13/37/60/438133760.db2.gz IPPYTDORCDEUBI-OAHLLOKOSA-N 1 3 339.484 0.182 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418365719 438135983 /nfs/dbraw/zinc/13/59/83/438135983.db2.gz FBQGCPVXQNBUTE-LSDHHAIUSA-N 1 3 325.501 0.652 20 0 ECADHO C[N@@H+]1CC[C@](O)(CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000358077448 438145135 /nfs/dbraw/zinc/14/51/35/438145135.db2.gz XEZWWRRZHLMNOF-IBGZPJMESA-N 1 3 346.475 0.382 20 0 ECADHO C[N@H+]1CC[C@](O)(CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000358077448 438145137 /nfs/dbraw/zinc/14/51/37/438145137.db2.gz XEZWWRRZHLMNOF-IBGZPJMESA-N 1 3 346.475 0.382 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)CN2CCCC2=O)[C@@H](C)C1 ZINC000358239757 438189357 /nfs/dbraw/zinc/18/93/57/438189357.db2.gz YXZNZLJSLMNVSH-BBWFWOEESA-N 1 3 341.496 0.696 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)CN2CCCC2=O)[C@@H](C)C1 ZINC000358239757 438189362 /nfs/dbraw/zinc/18/93/62/438189362.db2.gz YXZNZLJSLMNVSH-BBWFWOEESA-N 1 3 341.496 0.696 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@H]2CNCCO2)cc1 ZINC000418537122 438158884 /nfs/dbraw/zinc/15/88/84/438158884.db2.gz CMBLWELCYQMENT-IXDOHACOSA-N 1 3 348.447 0.428 20 0 ECADHO CCN1CCN(c2ccccc2CNC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358135773 438163870 /nfs/dbraw/zinc/16/38/70/438163870.db2.gz KMFCKGIKGZVWNS-LJQANCHMSA-N 1 3 332.492 0.985 20 0 ECADHO CCN1CCN(c2ccccc2CNC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358135773 438163873 /nfs/dbraw/zinc/16/38/73/438163873.db2.gz KMFCKGIKGZVWNS-LJQANCHMSA-N 1 3 332.492 0.985 20 0 ECADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418623638 438169648 /nfs/dbraw/zinc/16/96/48/438169648.db2.gz XHKHYGUPHTZKLS-RBSFLKMASA-N 1 3 326.485 0.861 20 0 ECADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000418647889 438171360 /nfs/dbraw/zinc/17/13/60/438171360.db2.gz HACOVRBDBXIZNE-SJLPKXTDSA-N 1 3 345.491 0.938 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418851421 438217026 /nfs/dbraw/zinc/21/70/26/438217026.db2.gz PWJFBXCUSUWKHK-HYVNUMGLSA-N 1 3 346.475 0.390 20 0 ECADHO CC(C)[C@@H](C[NH3+])C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000433165044 438228064 /nfs/dbraw/zinc/22/80/64/438228064.db2.gz AXFAJVDVTLHBGV-QGZVFWFLSA-N 1 3 333.480 0.941 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000418872519 438230884 /nfs/dbraw/zinc/23/08/84/438230884.db2.gz WSHCAVSQVQVSHZ-CQSZACIVSA-N 1 3 338.496 0.871 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)C1 ZINC000432517506 438198617 /nfs/dbraw/zinc/19/86/17/438198617.db2.gz GLNUIRYBLLLAME-CWRNSKLLSA-N 1 3 346.431 0.045 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)C1 ZINC000432517506 438198622 /nfs/dbraw/zinc/19/86/22/438198622.db2.gz GLNUIRYBLLLAME-CWRNSKLLSA-N 1 3 346.431 0.045 20 0 ECADHO COCC1(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC[NH2+]CC1 ZINC000367374361 438200726 /nfs/dbraw/zinc/20/07/26/438200726.db2.gz HVQDVRNVFLHHFB-QWQRMKEZSA-N 1 3 339.480 0.651 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)[C@@H]1C[NH3+] ZINC000418829524 438205271 /nfs/dbraw/zinc/20/52/71/438205271.db2.gz HAGTVFLOOBIAGC-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419027607 438295966 /nfs/dbraw/zinc/29/59/66/438295966.db2.gz OXZLEOPEMXKMKJ-QXSJWSMHSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N(C)Cc1ccccc1 ZINC000418956297 438265076 /nfs/dbraw/zinc/26/50/76/438265076.db2.gz YZTKJSQEIHBLMA-CJNGLKHVSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000418990563 438275170 /nfs/dbraw/zinc/27/51/70/438275170.db2.gz CXJREDZLOVCNJL-DOTOQJQBSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000419021895 438290947 /nfs/dbraw/zinc/29/09/47/438290947.db2.gz HJPTZBHZPKCKHL-QLFBSQMISA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000419112124 438326109 /nfs/dbraw/zinc/32/61/09/438326109.db2.gz FHHFBYUGDQQZSS-HOCLYGCPSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)C1 ZINC000419125456 438334723 /nfs/dbraw/zinc/33/47/23/438334723.db2.gz UBAXZZFEJRXBJS-BZUAXINKSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420159049 438390445 /nfs/dbraw/zinc/39/04/45/438390445.db2.gz HPKVPQYUJYUPOB-KFWWJZLASA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419231501 438351614 /nfs/dbraw/zinc/35/16/14/438351614.db2.gz RZWVPCJPJDNXKI-GDBMZVCRSA-N 1 3 346.475 0.867 20 0 ECADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000419431307 438357675 /nfs/dbraw/zinc/35/76/75/438357675.db2.gz XIFGNKOXYZLZHD-HOTGVXAUSA-N 1 3 330.432 0.499 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000359111866 438358241 /nfs/dbraw/zinc/35/82/41/438358241.db2.gz AGGLDSWXQTXAIT-ZTFGCOKTSA-N 1 3 331.460 0.720 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000359111866 438358245 /nfs/dbraw/zinc/35/82/45/438358245.db2.gz AGGLDSWXQTXAIT-ZTFGCOKTSA-N 1 3 331.460 0.720 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1=O ZINC000378181811 438359181 /nfs/dbraw/zinc/35/91/81/438359181.db2.gz HHRHKNCSSCWBBO-BZUAXINKSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1=O ZINC000378181811 438359184 /nfs/dbraw/zinc/35/91/84/438359184.db2.gz HHRHKNCSSCWBBO-BZUAXINKSA-N 1 3 336.480 0.339 20 0 ECADHO COc1cc(CN2CCC(C[NH3+])CC2)cc(OC)c1OCC(N)=O ZINC000435391688 438364157 /nfs/dbraw/zinc/36/41/57/438364157.db2.gz TYHHQPIERHTTRM-UHFFFAOYSA-N 1 3 337.420 0.739 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419690310 438366063 /nfs/dbraw/zinc/36/60/63/438366063.db2.gz CXNKQHWSMLMRHX-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419772184 438371311 /nfs/dbraw/zinc/37/13/11/438371311.db2.gz FWCPDQAEOMOQAT-JHJVBQTASA-N 1 3 328.457 0.062 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419882756 438374847 /nfs/dbraw/zinc/37/48/47/438374847.db2.gz ISCQZRHUVYPIJT-ARFHVFGLSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000359268649 438399187 /nfs/dbraw/zinc/39/91/87/438399187.db2.gz XDYPIOOXWGPDAS-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000359268649 438399192 /nfs/dbraw/zinc/39/91/92/438399192.db2.gz XDYPIOOXWGPDAS-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000359266077 438399522 /nfs/dbraw/zinc/39/95/22/438399522.db2.gz SGKCTSBHAQNESJ-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000359266077 438399525 /nfs/dbraw/zinc/39/95/25/438399525.db2.gz SGKCTSBHAQNESJ-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)C1CC1 ZINC000359274432 438401471 /nfs/dbraw/zinc/40/14/71/438401471.db2.gz OFZAETJDXOPHFO-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO CCN(CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)C1CC1 ZINC000359274432 438401473 /nfs/dbraw/zinc/40/14/73/438401473.db2.gz OFZAETJDXOPHFO-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN[C@@H]2CC[NH2+]CC2(C)C)C1 ZINC000420360915 438403657 /nfs/dbraw/zinc/40/36/57/438403657.db2.gz LQALYHFTSUGEJG-JKSUJKDBSA-N 1 3 340.512 0.437 20 0 ECADHO O[C@@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)CN1CCCC1 ZINC000382250321 438412469 /nfs/dbraw/zinc/41/24/69/438412469.db2.gz LDXXNMZZTQCXBH-OALUTQOASA-N 1 3 333.476 0.934 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(C)C ZINC000369586675 438493495 /nfs/dbraw/zinc/49/34/95/438493495.db2.gz GRSXDUNRHWKHMA-CVEARBPZSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1(C)C ZINC000369586675 438493499 /nfs/dbraw/zinc/49/34/99/438493499.db2.gz GRSXDUNRHWKHMA-CVEARBPZSA-N 1 3 337.512 0.938 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000422112219 438521207 /nfs/dbraw/zinc/52/12/07/438521207.db2.gz DUJCFSLXGMSGFV-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1(C)C ZINC000442610329 438612379 /nfs/dbraw/zinc/61/23/79/438612379.db2.gz NYUXUQMNLFAIDR-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO C[NH+](C)C1CCC(NC(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000422974232 438623327 /nfs/dbraw/zinc/62/33/27/438623327.db2.gz QOPDFJRVTDIYHD-UYSNPLJNSA-N 1 3 338.496 0.999 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@H](N(C)C)[C@@H](C)C1)C(C)C ZINC000410677349 438626798 /nfs/dbraw/zinc/62/67/98/438626798.db2.gz RHCRZAXACPVDSK-HOTGVXAUSA-N 1 3 340.512 0.972 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000423173105 438644459 /nfs/dbraw/zinc/64/44/59/438644459.db2.gz WXVPYEDMCBLTTH-GASCZTMLSA-N 1 3 348.447 0.156 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000410730792 438646007 /nfs/dbraw/zinc/64/60/07/438646007.db2.gz NKRCVHFYWMEDJS-OAGGEKHMSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000410730792 438646009 /nfs/dbraw/zinc/64/60/09/438646009.db2.gz NKRCVHFYWMEDJS-OAGGEKHMSA-N 1 3 336.480 0.482 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@H](C)C1 ZINC000410734564 438647076 /nfs/dbraw/zinc/64/70/76/438647076.db2.gz YTKMWDKQWOXQOA-FXUDXRNXSA-N 1 3 336.480 0.338 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@H](C)C1 ZINC000410734564 438647078 /nfs/dbraw/zinc/64/70/78/438647078.db2.gz YTKMWDKQWOXQOA-FXUDXRNXSA-N 1 3 336.480 0.338 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000423186516 438647173 /nfs/dbraw/zinc/64/71/73/438647173.db2.gz KDWAZGGAVPZHKX-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423219441 438650220 /nfs/dbraw/zinc/65/02/20/438650220.db2.gz WRUQTULXCGUUTB-MRXNPFEDSA-N 1 3 336.480 0.389 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423262157 438654984 /nfs/dbraw/zinc/65/49/84/438654984.db2.gz LVJJOEMLEZYATA-UHFFFAOYSA-N 1 3 342.484 0.001 20 0 ECADHO COC[C@]1(C(=O)NCc2cccc(OCCN(C)C)c2)CC[NH2+]C1 ZINC000423327279 438662045 /nfs/dbraw/zinc/66/20/45/438662045.db2.gz KAJIULLJOTWQGI-SFHVURJKSA-N 1 3 335.448 0.869 20 0 ECADHO [NH3+]CCCn1cc(C(=O)NCCCN2CCc3ccccc3C2)nn1 ZINC000423336389 438663654 /nfs/dbraw/zinc/66/36/54/438663654.db2.gz SMUOMLJVFBILQQ-UHFFFAOYSA-N 1 3 342.447 0.805 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000423414037 438673777 /nfs/dbraw/zinc/67/37/77/438673777.db2.gz LZUURVDVQWJGKS-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO COC[C@H](C)OC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000447311004 438675758 /nfs/dbraw/zinc/67/57/58/438675758.db2.gz DMEKRJACASYNDR-FJIDUMEYSA-N 1 3 343.512 0.357 20 0 ECADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423298581 438657729 /nfs/dbraw/zinc/65/77/29/438657729.db2.gz OQFNSSVPEFXULW-KGLIPLIRSA-N 1 3 341.477 0.953 20 0 ECADHO CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000414701964 438715599 /nfs/dbraw/zinc/71/55/99/438715599.db2.gz UPUMKQOICBQXGK-DOTOQJQBSA-N 1 3 344.459 0.921 20 0 ECADHO COC(=O)CN(CCN1CCN(C)CC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414761537 438716840 /nfs/dbraw/zinc/71/68/40/438716840.db2.gz UBKBYWBRSAPKHH-CVEARBPZSA-N 1 3 326.485 0.097 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)CC1 ZINC000454618180 438723072 /nfs/dbraw/zinc/72/30/72/438723072.db2.gz LHRCYFOYRJYUMM-YESZJQIVSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H](CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C ZINC000454669202 438725030 /nfs/dbraw/zinc/72/50/30/438725030.db2.gz YIBLIHLPYWWJJI-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000455430732 438746063 /nfs/dbraw/zinc/74/60/63/438746063.db2.gz KSQICWKFAJROLS-HNNXBMFYSA-N 1 3 344.500 0.705 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CN1Cc1ccccc1 ZINC000557184661 438795887 /nfs/dbraw/zinc/79/58/87/438795887.db2.gz XPDLQLFNDCYPII-NJAFHUGGSA-N 1 3 345.491 0.934 20 0 ECADHO CCC[C@H]1CNCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000557197366 438796523 /nfs/dbraw/zinc/79/65/23/438796523.db2.gz NKEVBMAKDDHKPV-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CCC[C@H]1CNCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000557197366 438796527 /nfs/dbraw/zinc/79/65/27/438796527.db2.gz NKEVBMAKDDHKPV-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO COC[C@]1(CNC(=O)[C@H]2CCCN2C2CCOCC2)CCC[NH2+]1 ZINC000575866961 438758527 /nfs/dbraw/zinc/75/85/27/438758527.db2.gz UXQVLZICDKZJLZ-NVXWUHKLSA-N 1 3 325.453 0.515 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)C[C@@H]21 ZINC000577162422 438819579 /nfs/dbraw/zinc/81/95/79/438819579.db2.gz VSWZHXXZPQYCHP-DOMZBBRYSA-N 1 3 344.415 0.270 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)C[NH+]1CCCC1 ZINC000457885242 438838402 /nfs/dbraw/zinc/83/84/02/438838402.db2.gz PVTVTDPCWYKJAC-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H](CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[C@@H]1CCC[NH2+]C1 ZINC000577395739 438839326 /nfs/dbraw/zinc/83/93/26/438839326.db2.gz SBMWSWPMHJGWGL-IIAWOOMASA-N 1 3 334.468 0.926 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)C[NH+]1CCCC1 ZINC000457885240 438839482 /nfs/dbraw/zinc/83/94/82/438839482.db2.gz PVTVTDPCWYKJAC-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c(Br)cnn1C ZINC000516243479 438897526 /nfs/dbraw/zinc/89/75/26/438897526.db2.gz PJOOGKXPLIWOQQ-UHFFFAOYSA-N 1 3 346.273 0.748 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000577714008 438864407 /nfs/dbraw/zinc/86/44/07/438864407.db2.gz VQRLVFOASWECRX-CQSZACIVSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000577714008 438864411 /nfs/dbraw/zinc/86/44/11/438864411.db2.gz VQRLVFOASWECRX-CQSZACIVSA-N 1 3 336.480 0.578 20 0 ECADHO O[C@H](CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CCOCC1 ZINC000515416074 438867933 /nfs/dbraw/zinc/86/79/33/438867933.db2.gz HLIGCRHJQGEOHZ-RTBURBONSA-N 1 3 349.475 0.036 20 0 ECADHO O[C@H](CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CN1CCOCC1 ZINC000515416074 438867936 /nfs/dbraw/zinc/86/79/36/438867936.db2.gz HLIGCRHJQGEOHZ-RTBURBONSA-N 1 3 349.475 0.036 20 0 ECADHO CN1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000564861610 438879736 /nfs/dbraw/zinc/87/97/36/438879736.db2.gz FXQQKGIEFKHYHG-PMACEKPBSA-N 1 3 346.519 0.706 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564861610 438879742 /nfs/dbraw/zinc/87/97/42/438879742.db2.gz FXQQKGIEFKHYHG-PMACEKPBSA-N 1 3 346.519 0.706 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564861610 438879748 /nfs/dbraw/zinc/87/97/48/438879748.db2.gz FXQQKGIEFKHYHG-PMACEKPBSA-N 1 3 346.519 0.706 20 0 ECADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)C1CC1 ZINC000577999562 438888561 /nfs/dbraw/zinc/88/85/61/438888561.db2.gz VCPKMHHEEVOSNL-INIZCTEOSA-N 1 3 330.432 0.101 20 0 ECADHO Cc1cc(NC(=O)CC[NH2+]C2CCN(C3CCN(C)CC3)CC2)no1 ZINC000578350259 438917302 /nfs/dbraw/zinc/91/73/02/438917302.db2.gz JMAGBXFCOKVNBA-UHFFFAOYSA-N 1 3 349.479 1.460 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000578433752 438922012 /nfs/dbraw/zinc/92/20/12/438922012.db2.gz AAQGGADTDJHGBQ-HOCLYGCPSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CN1C1CC1 ZINC000516811988 438928442 /nfs/dbraw/zinc/92/84/42/438928442.db2.gz GTNZNZVLGRZJJV-IJEWVQPXSA-N 1 3 334.464 0.425 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000459288698 438955328 /nfs/dbraw/zinc/95/53/28/438955328.db2.gz GGSVPLJYMIUJOV-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000459288698 438955335 /nfs/dbraw/zinc/95/53/35/438955335.db2.gz GGSVPLJYMIUJOV-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NC1CNC1 ZINC000565530000 438958157 /nfs/dbraw/zinc/95/81/57/438958157.db2.gz IVXWTOQXWVYMJX-CQSZACIVSA-N 1 3 344.459 0.765 20 0 ECADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NC1CNC1 ZINC000565530000 438958160 /nfs/dbraw/zinc/95/81/60/438958160.db2.gz IVXWTOQXWVYMJX-CQSZACIVSA-N 1 3 344.459 0.765 20 0 ECADHO Cc1cc(NC(=O)CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000565660638 438969503 /nfs/dbraw/zinc/96/95/03/438969503.db2.gz MLPBZRPKFVSETM-HNNXBMFYSA-N 1 3 335.452 0.929 20 0 ECADHO CCC[N@H+](CCN1C(=O)N[C@@H](C)C1=O)CCN1CCN(CC)CC1 ZINC000459530579 438972071 /nfs/dbraw/zinc/97/20/71/438972071.db2.gz MHZWISMOKFCLKB-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO CCC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)CCN1CCN(CC)CC1 ZINC000459530579 438972072 /nfs/dbraw/zinc/97/20/72/438972072.db2.gz MHZWISMOKFCLKB-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO COc1cnccc1N1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000566000098 438995117 /nfs/dbraw/zinc/99/51/17/438995117.db2.gz PCRQTDDJJJPTSC-CQSZACIVSA-N 1 3 349.435 0.300 20 0 ECADHO CCOC(=O)CC[N@H+](CC1CC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000591272179 438996223 /nfs/dbraw/zinc/99/62/23/438996223.db2.gz OTXZBRFMFBSJCR-OAHLLOKOSA-N 1 3 325.453 0.849 20 0 ECADHO CCOC(=O)CC[N@@H+](CC1CC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000591272179 438996228 /nfs/dbraw/zinc/99/62/28/438996228.db2.gz OTXZBRFMFBSJCR-OAHLLOKOSA-N 1 3 325.453 0.849 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)COc2ccccc2)CC1 ZINC000579344816 438999566 /nfs/dbraw/zinc/99/95/66/438999566.db2.gz NOWZPULVTRLTCA-QGZVFWFLSA-N 1 3 349.475 0.959 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000566066974 439000530 /nfs/dbraw/zinc/00/05/30/439000530.db2.gz YBOQSTAPIQJXPD-IHRRRGAJSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@@H]1C[C@H](NC[C@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@@H+]1C ZINC000518518625 439001691 /nfs/dbraw/zinc/00/16/91/439001691.db2.gz DIYNNFHTEBWLBT-MCIONIFRSA-N 1 3 331.416 0.716 20 0 ECADHO C[C@@H]1C[C@H](NC[C@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC000518518625 439001696 /nfs/dbraw/zinc/00/16/96/439001696.db2.gz DIYNNFHTEBWLBT-MCIONIFRSA-N 1 3 331.416 0.716 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)COC2CC[NH2+]CC2)CC1 ZINC000579948773 439049688 /nfs/dbraw/zinc/04/96/88/439049688.db2.gz YCDASOFQBPOOIQ-UHFFFAOYSA-N 1 3 327.469 0.761 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000579462171 439012236 /nfs/dbraw/zinc/01/22/36/439012236.db2.gz MYSKTKFYHAWITH-YYIAUSFCSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C[C@@H]1C[NH3+] ZINC000579580914 439020156 /nfs/dbraw/zinc/02/01/56/439020156.db2.gz BHYSSEFQXHYNBW-VKJFTORMSA-N 1 3 336.480 0.374 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCOC[C@H]2CCCO2)C1)[C@@H]1CCC[NH2+]1 ZINC000566244338 439032097 /nfs/dbraw/zinc/03/20/97/439032097.db2.gz TYFBHAPWIPLKKM-BBWFWOEESA-N 1 3 339.480 0.762 20 0 ECADHO CN(CC[C@@H]1CCCCN1C)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602484996 439097334 /nfs/dbraw/zinc/09/73/34/439097334.db2.gz LRWHYPWSQVCOHV-FPTDNZKUSA-N 1 3 329.510 0.820 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566963926 439101824 /nfs/dbraw/zinc/10/18/24/439101824.db2.gz YEWKQWAYORPHPU-KXBFYZLASA-N 1 3 348.491 0.722 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1ccc2c(c1)CNC2 ZINC000519827281 439066514 /nfs/dbraw/zinc/06/65/14/439066514.db2.gz QJJCPTDMIDZAFV-MRXNPFEDSA-N 1 3 330.432 0.750 20 0 ECADHO C[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000580172062 439068080 /nfs/dbraw/zinc/06/80/80/439068080.db2.gz PVJDPKOERKNFTJ-NVXWUHKLSA-N 1 3 333.480 0.791 20 0 ECADHO C[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000580172064 439069245 /nfs/dbraw/zinc/06/92/45/439069245.db2.gz PVJDPKOERKNFTJ-WBVHZDCISA-N 1 3 333.480 0.791 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000566667845 439081142 /nfs/dbraw/zinc/08/11/42/439081142.db2.gz MUVOLGBXJURQOH-CVEARBPZSA-N 1 3 349.483 0.958 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000566667845 439081147 /nfs/dbraw/zinc/08/11/47/439081147.db2.gz MUVOLGBXJURQOH-CVEARBPZSA-N 1 3 349.483 0.958 20 0 ECADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580726641 439124786 /nfs/dbraw/zinc/12/47/86/439124786.db2.gz YLMADTUGSAEGTH-MGPQQGTHSA-N 1 3 325.457 0.060 20 0 ECADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580726641 439124790 /nfs/dbraw/zinc/12/47/90/439124790.db2.gz YLMADTUGSAEGTH-MGPQQGTHSA-N 1 3 325.457 0.060 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000567510567 439149831 /nfs/dbraw/zinc/14/98/31/439149831.db2.gz HLPLTYNULNTBGY-UHFFFAOYSA-N 1 3 342.484 0.012 20 0 ECADHO COC(=O)[C@H](C)Oc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000592428463 439225895 /nfs/dbraw/zinc/22/58/95/439225895.db2.gz PZGSLRGCBSJOLC-HNNXBMFYSA-N 1 3 335.448 0.964 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000567880630 439191735 /nfs/dbraw/zinc/19/17/35/439191735.db2.gz KLUVNZGRRPWZRD-WMLDXEAASA-N 1 3 346.475 0.918 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000567880630 439191737 /nfs/dbraw/zinc/19/17/37/439191737.db2.gz KLUVNZGRRPWZRD-WMLDXEAASA-N 1 3 346.475 0.918 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488648787 439195490 /nfs/dbraw/zinc/19/54/90/439195490.db2.gz LWJADSGMDJOIPJ-ARFHVFGLSA-N 1 3 326.485 0.936 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488648787 439195495 /nfs/dbraw/zinc/19/54/95/439195495.db2.gz LWJADSGMDJOIPJ-ARFHVFGLSA-N 1 3 326.485 0.936 20 0 ECADHO CN1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000524785960 439195988 /nfs/dbraw/zinc/19/59/88/439195988.db2.gz GECJZLDXFBSUCJ-HUUCEWRRSA-N 1 3 339.484 0.215 20 0 ECADHO CN1CCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000524785960 439195992 /nfs/dbraw/zinc/19/59/92/439195992.db2.gz GECJZLDXFBSUCJ-HUUCEWRRSA-N 1 3 339.484 0.215 20 0 ECADHO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000581482741 439217056 /nfs/dbraw/zinc/21/70/56/439217056.db2.gz YULOPGWZSLIHEN-JYJNAYRXSA-N 1 3 334.464 0.141 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)C2)CC1 ZINC000568758780 439274851 /nfs/dbraw/zinc/27/48/51/439274851.db2.gz RSNHVCKUDXVAHR-HUUCEWRRSA-N 1 3 326.510 0.320 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC[NH2+]1 ZINC000568236048 439228984 /nfs/dbraw/zinc/22/89/84/439228984.db2.gz YFAMYJROFWOQPF-GJZGRUSLSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568730875 439272568 /nfs/dbraw/zinc/27/25/68/439272568.db2.gz QYNHSZKIQVEXLS-FMKPAKJESA-N 1 3 336.480 0.866 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000569260042 439319343 /nfs/dbraw/zinc/31/93/43/439319343.db2.gz JHWVGRQJGPVBJZ-GJZGRUSLSA-N 1 3 337.468 0.062 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000569433449 439330269 /nfs/dbraw/zinc/33/02/69/439330269.db2.gz KRUCQCHIEYVCPP-HOTGVXAUSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)NC2C[NH2+]C2)CCCN1Cc1ccccc1 ZINC000582410465 439331458 /nfs/dbraw/zinc/33/14/58/439331458.db2.gz LCXCLEIAMHTJLX-SFHVURJKSA-N 1 3 330.432 0.245 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CCC1 ZINC000568983691 439295298 /nfs/dbraw/zinc/29/52/98/439295298.db2.gz MKYGOXHCDCWZCZ-MRXNPFEDSA-N 1 3 344.459 0.672 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000582716028 439372487 /nfs/dbraw/zinc/37/24/87/439372487.db2.gz WETDOVDZASBLON-KDOFPFPSSA-N 1 3 336.480 0.435 20 0 ECADHO Cc1nccn1C[C@@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000570324333 439410989 /nfs/dbraw/zinc/41/09/89/439410989.db2.gz KPVPUXCTLITEOZ-HNNXBMFYSA-N 1 3 338.500 0.962 20 0 ECADHO O=C(C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000583137915 439424131 /nfs/dbraw/zinc/42/41/31/439424131.db2.gz SELGZZGZTHZLHW-IAGOWNOFSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)C1(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)Cc2ccccc2C1 ZINC000570508818 439425149 /nfs/dbraw/zinc/42/51/49/439425149.db2.gz MFCLXIGAPARMSI-LJQANCHMSA-N 1 3 346.519 0.284 20 0 ECADHO C[C@@](O)(C[NH2+]CCCCN1CCN(CCO)CC1)C(F)(F)F ZINC000583199146 439433150 /nfs/dbraw/zinc/43/31/50/439433150.db2.gz ALTOFFLLEMJYMM-CYBMUJFWSA-N 1 3 327.391 0.279 20 0 ECADHO CN1CCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](CN)C1 ZINC000571058542 439473575 /nfs/dbraw/zinc/47/35/75/439473575.db2.gz FULIKFSBEOWVRO-INIZCTEOSA-N 1 3 325.501 0.927 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC[C@H]21 ZINC000583798397 439511084 /nfs/dbraw/zinc/51/10/84/439511084.db2.gz SHAIPHRKCSELHA-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC[C@H]21 ZINC000583798397 439511090 /nfs/dbraw/zinc/51/10/90/439511090.db2.gz SHAIPHRKCSELHA-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000570872944 439457613 /nfs/dbraw/zinc/45/76/13/439457613.db2.gz QACDYWCGGUIPMU-UHFFFAOYSA-N 1 3 347.463 0.996 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000608629815 439528782 /nfs/dbraw/zinc/52/87/82/439528782.db2.gz WMWXHDLOZDTULT-UHFFFAOYSA-N 1 3 343.516 0.280 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000608629815 439528787 /nfs/dbraw/zinc/52/87/87/439528787.db2.gz WMWXHDLOZDTULT-UHFFFAOYSA-N 1 3 343.516 0.280 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)CC(N)=O)CC2)CC1 ZINC000573106478 439629040 /nfs/dbraw/zinc/62/90/40/439629040.db2.gz LDHKBCAUMUVCRM-UHFFFAOYSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)(CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CCCCC1 ZINC000584846287 439622342 /nfs/dbraw/zinc/62/23/42/439622342.db2.gz KZBLLTUOUSSDAO-INIZCTEOSA-N 1 3 337.512 0.940 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2)CC1 ZINC000574569651 439713399 /nfs/dbraw/zinc/71/33/99/439713399.db2.gz WXTRSADLRMLDFO-SFHVURJKSA-N 1 3 345.491 0.543 20 0 ECADHO C[C@H](CNC(=O)COC1CCC([NH3+])CC1)CN1CCN(C)CC1 ZINC000574688353 439719775 /nfs/dbraw/zinc/71/97/75/439719775.db2.gz LYDAGKWZRJPHEK-QQFBHYJXSA-N 1 3 326.485 0.273 20 0 ECADHO COC(=O)CCNC(=O)CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000600708858 439694128 /nfs/dbraw/zinc/69/41/28/439694128.db2.gz HPVCZQFLFYDDGR-SOUVJXGZSA-N 1 3 325.453 0.956 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)C1 ZINC000612548355 439728079 /nfs/dbraw/zinc/72/80/79/439728079.db2.gz MISKTUCYYXHQRM-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)C1 ZINC000612548355 439728082 /nfs/dbraw/zinc/72/80/82/439728082.db2.gz MISKTUCYYXHQRM-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)C[C@@H](CO)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000614855050 439789180 /nfs/dbraw/zinc/78/91/80/439789180.db2.gz UTAAOTGHOUHCME-KRWDZBQOSA-N 1 3 348.491 0.628 20 0 ECADHO CCN1CCN(CCC(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000615261518 439797112 /nfs/dbraw/zinc/79/71/12/439797112.db2.gz DDLKOIMUUNNDIF-SJORKVTESA-N 1 3 338.496 0.336 20 0 ECADHO CCN1CCN(CCC(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000615261518 439797113 /nfs/dbraw/zinc/79/71/13/439797113.db2.gz DDLKOIMUUNNDIF-SJORKVTESA-N 1 3 338.496 0.336 20 0 ECADHO CN1CCC(Nc2ccccc2NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662705541 439851043 /nfs/dbraw/zinc/85/10/43/439851043.db2.gz PLOSYXKWJANCRE-UHFFFAOYSA-N 1 3 343.435 0.995 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662716196 439855207 /nfs/dbraw/zinc/85/52/07/439855207.db2.gz ONIZFJOZSUQOHB-UHFFFAOYSA-N 1 3 336.480 0.661 20 0 ECADHO CN(CCN1CCN(C(=O)NC/C=C/C[NH3+])CC1)Cc1ccccc1 ZINC000641861766 439932203 /nfs/dbraw/zinc/93/22/03/439932203.db2.gz DSZBWXGRTSPZOB-AATRIKPKSA-N 1 3 345.491 0.961 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cn1 ZINC000631817277 439932548 /nfs/dbraw/zinc/93/25/48/439932548.db2.gz JFPLOZIKHLUGPD-KRWDZBQOSA-N 1 3 349.479 0.772 20 0 ECADHO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626805277 439885784 /nfs/dbraw/zinc/88/57/84/439885784.db2.gz GEDDQRIRSIAPKI-GFCCVEGCSA-N 1 3 332.404 0.175 20 0 ECADHO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626805277 439885793 /nfs/dbraw/zinc/88/57/93/439885793.db2.gz GEDDQRIRSIAPKI-GFCCVEGCSA-N 1 3 332.404 0.175 20 0 ECADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626804004 439886045 /nfs/dbraw/zinc/88/60/45/439886045.db2.gz QELBJGCKVTVELA-CYBMUJFWSA-N 1 3 346.431 0.517 20 0 ECADHO Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000617506275 439897590 /nfs/dbraw/zinc/89/75/90/439897590.db2.gz IDRHWASLGQTQKH-LBPRGKRZSA-N 1 3 337.468 0.399 20 0 ECADHO Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000617506275 439897596 /nfs/dbraw/zinc/89/75/96/439897596.db2.gz IDRHWASLGQTQKH-LBPRGKRZSA-N 1 3 337.468 0.399 20 0 ECADHO CC(=O)N1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000617503381 439902418 /nfs/dbraw/zinc/90/24/18/439902418.db2.gz HAODNEYRZGBAAQ-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO CC(=O)N1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000617503381 439902426 /nfs/dbraw/zinc/90/24/26/439902426.db2.gz HAODNEYRZGBAAQ-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000641801459 439918096 /nfs/dbraw/zinc/91/80/96/439918096.db2.gz CJWNFHLPHIKHLV-RBSFLKMASA-N 1 3 326.485 0.175 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642330398 439972178 /nfs/dbraw/zinc/97/21/78/439972178.db2.gz FCFDMWIMYNIWEC-XFIYOXNOSA-N 1 3 336.480 0.147 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642330599 439972777 /nfs/dbraw/zinc/97/27/77/439972777.db2.gz ZZXJRZNWAOSGNU-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO N[C@H]1CCCCN(CC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)C1=O ZINC000663005328 439986483 /nfs/dbraw/zinc/98/64/83/439986483.db2.gz TVKCXKQWQYDJSA-CVEARBPZSA-N 1 3 336.480 0.564 20 0 ECADHO N[C@H]1CCCCN(CC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1=O ZINC000663005328 439986490 /nfs/dbraw/zinc/98/64/90/439986490.db2.gz TVKCXKQWQYDJSA-CVEARBPZSA-N 1 3 336.480 0.564 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCCC[C@@H]2CC)CC[C@@H]1[NH3+] ZINC000642431161 439980801 /nfs/dbraw/zinc/98/08/01/439980801.db2.gz HLFWYYULETXOMI-PMPSAXMXSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC1(C[NH3+])CCOCC1 ZINC000626884514 439937693 /nfs/dbraw/zinc/93/76/93/439937693.db2.gz GYFRNOUBXAHAFJ-UHFFFAOYSA-N 1 3 348.447 0.353 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626888158 439939725 /nfs/dbraw/zinc/93/97/25/439939725.db2.gz QPXCZSBOMABJFX-JSGCOSHPSA-N 1 3 348.447 0.952 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCC[C@@H]([NH3+])C(C)C)CC1=O ZINC000662925969 439944598 /nfs/dbraw/zinc/94/45/98/439944598.db2.gz HXQYIFTYHCEOGT-HRCADAONSA-N 1 3 338.496 0.809 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+])o1 ZINC000662925308 439946209 /nfs/dbraw/zinc/94/62/09/439946209.db2.gz HFKNSYOFCPEWJO-UHFFFAOYSA-N 1 3 338.452 0.674 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642104431 439948118 /nfs/dbraw/zinc/94/81/18/439948118.db2.gz MSCGDCYSFWDQGG-IRXDYDNUSA-N 1 3 346.475 0.534 20 0 ECADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000662937678 439953334 /nfs/dbraw/zinc/95/33/34/439953334.db2.gz IONRVFOQSVGVQT-UHFFFAOYSA-N 1 3 336.480 0.517 20 0 ECADHO CN(C)CCN1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1=O ZINC000652734499 439956015 /nfs/dbraw/zinc/95/60/15/439956015.db2.gz MPOMVCMRRMLQGS-QGZVFWFLSA-N 1 3 346.475 0.912 20 0 ECADHO CC(C)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)N1CCN(C)CC1 ZINC000626930263 439963216 /nfs/dbraw/zinc/96/32/16/439963216.db2.gz ZWEGHTVNKKQREQ-HNNXBMFYSA-N 1 3 341.500 0.066 20 0 ECADHO CN1CCN(Cc2ccc(C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cc2)CC1 ZINC000662945925 439963855 /nfs/dbraw/zinc/96/38/55/439963855.db2.gz XQRPDBCWVLZZET-IAGOWNOFSA-N 1 3 334.439 0.945 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000631926725 439988808 /nfs/dbraw/zinc/98/88/08/439988808.db2.gz HBSRGUBXSXRXDP-ZFWWWQNUSA-N 1 3 330.498 0.331 20 0 ECADHO O=C(C[NH2+]CC1CC1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013456 439989487 /nfs/dbraw/zinc/98/94/87/439989487.db2.gz CMBMBVKMEPKDAR-OAHLLOKOSA-N 1 3 346.479 0.525 20 0 ECADHO O=C([C@H]1CCC[NH2+]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014067 439990446 /nfs/dbraw/zinc/99/04/46/439990446.db2.gz IZRBVUQYAUDWCW-UONOGXRCSA-N 1 3 332.452 0.277 20 0 ECADHO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014348 439990460 /nfs/dbraw/zinc/99/04/60/439990460.db2.gz LFNIULMYNCPPSM-CABCVRRESA-N 1 3 346.479 0.667 20 0 ECADHO CN(C)CCCS(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000631945000 440002678 /nfs/dbraw/zinc/00/26/78/440002678.db2.gz MPWCQUFNJHHWBH-LSDHHAIUSA-N 1 3 329.441 0.834 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC1CCN([C@H]3CCOC3)CC1)C2 ZINC000627115477 440013232 /nfs/dbraw/zinc/01/32/32/440013232.db2.gz BKAZPYZQFIVVIF-RYQLBKOJSA-N 1 3 336.480 0.881 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000642785894 440037124 /nfs/dbraw/zinc/03/71/24/440037124.db2.gz PCQYXEGPGOCOGE-CXAGYDPISA-N 1 3 344.459 0.923 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642916793 440063362 /nfs/dbraw/zinc/06/33/62/440063362.db2.gz JGGQTQDOZGDHFL-KRWDZBQOSA-N 1 3 346.475 0.835 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000642943433 440068447 /nfs/dbraw/zinc/06/84/47/440068447.db2.gz LNSIHXNMGOBNOH-CVEARBPZSA-N 1 3 338.496 0.999 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cn1 ZINC000653121954 440075441 /nfs/dbraw/zinc/07/54/41/440075441.db2.gz HRMODGKEOYHEDX-GJZGRUSLSA-N 1 3 348.451 0.030 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC[NH+]1CCCCC1 ZINC000663502419 440085613 /nfs/dbraw/zinc/08/56/13/440085613.db2.gz IRWYZISRUILOBR-UHFFFAOYSA-N 1 3 341.500 0.524 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[NH2+]1 ZINC000627201111 440043975 /nfs/dbraw/zinc/04/39/75/440043975.db2.gz FJLASXWIDYOBMY-ILXRZTDVSA-N 1 3 337.468 0.075 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000627312292 440116546 /nfs/dbraw/zinc/11/65/46/440116546.db2.gz VRLPRCSBXDCHGV-DGADGQDISA-N 1 3 338.496 0.726 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627320367 440119065 /nfs/dbraw/zinc/11/90/65/440119065.db2.gz ZMZYJRJMINFCSS-LSDHHAIUSA-N 1 3 336.480 0.768 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000653351513 440129024 /nfs/dbraw/zinc/12/90/24/440129024.db2.gz AXURIOKKDIWCHT-HNNXBMFYSA-N 1 3 341.500 0.726 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000653351513 440129027 /nfs/dbraw/zinc/12/90/27/440129027.db2.gz AXURIOKKDIWCHT-HNNXBMFYSA-N 1 3 341.500 0.726 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000663628377 440130103 /nfs/dbraw/zinc/13/01/03/440130103.db2.gz FMLZGXFAAOCWDK-OAHLLOKOSA-N 1 3 341.500 0.380 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000663628377 440130109 /nfs/dbraw/zinc/13/01/09/440130109.db2.gz FMLZGXFAAOCWDK-OAHLLOKOSA-N 1 3 341.500 0.380 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000653373682 440138703 /nfs/dbraw/zinc/13/87/03/440138703.db2.gz QPACEXBVNFUJSP-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000653373682 440138709 /nfs/dbraw/zinc/13/87/09/440138709.db2.gz QPACEXBVNFUJSP-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CCN(C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[C@@H]1CCN(CC)C1 ZINC000658822467 440139665 /nfs/dbraw/zinc/13/96/65/440139665.db2.gz RENARVBDYZUPRJ-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[C@@H]1CCN(CC)C1 ZINC000658822467 440139668 /nfs/dbraw/zinc/13/96/68/440139668.db2.gz RENARVBDYZUPRJ-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000647597415 440100042 /nfs/dbraw/zinc/10/00/42/440100042.db2.gz LUMRFLAIXGGIHS-UXLLHSPISA-N 1 3 346.475 0.961 20 0 ECADHO C[C@H](CN1CCCC1=O)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663755071 440165705 /nfs/dbraw/zinc/16/57/05/440165705.db2.gz JUNFZHQNCOWZRP-LSDHHAIUSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@H](CN1CCCC1=O)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663755071 440165708 /nfs/dbraw/zinc/16/57/08/440165708.db2.gz JUNFZHQNCOWZRP-LSDHHAIUSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000643455561 440170727 /nfs/dbraw/zinc/17/07/27/440170727.db2.gz WHIXCEXBRLASTQ-IHPCNDPISA-N 1 3 346.519 0.941 20 0 ECADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000643455561 440170734 /nfs/dbraw/zinc/17/07/34/440170734.db2.gz WHIXCEXBRLASTQ-IHPCNDPISA-N 1 3 346.519 0.941 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000643478847 440179112 /nfs/dbraw/zinc/17/91/12/440179112.db2.gz LSEPJBSETHYRGT-LSDHHAIUSA-N 1 3 345.447 0.174 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000643513413 440191803 /nfs/dbraw/zinc/19/18/03/440191803.db2.gz QDJXPXAGXXAQBQ-JKSUJKDBSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000643518421 440195027 /nfs/dbraw/zinc/19/50/27/440195027.db2.gz FAXVSRDHUDQZJL-FPCVCCKLSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627428846 440197544 /nfs/dbraw/zinc/19/75/44/440197544.db2.gz PXKDPWJONYBXLL-HUUCEWRRSA-N 1 3 336.480 0.624 20 0 ECADHO CCN(C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(CC)C1 ZINC000658829886 440145362 /nfs/dbraw/zinc/14/53/62/440145362.db2.gz NWRHCZZQELUXIM-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCN(CC)C1 ZINC000658829886 440145367 /nfs/dbraw/zinc/14/53/67/440145367.db2.gz NWRHCZZQELUXIM-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000663690609 440152413 /nfs/dbraw/zinc/15/24/13/440152413.db2.gz ZCPIQBAEBPEOGL-AWEZNQCLSA-N 1 3 339.484 0.132 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000663690609 440152417 /nfs/dbraw/zinc/15/24/17/440152417.db2.gz ZCPIQBAEBPEOGL-AWEZNQCLSA-N 1 3 339.484 0.132 20 0 ECADHO COC[C@H](CCC[NH3+])NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000647800551 440154966 /nfs/dbraw/zinc/15/49/66/440154966.db2.gz FDHIIDKTCHKGQO-STQMWFEESA-N 1 3 328.434 0.565 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000643592201 440214619 /nfs/dbraw/zinc/21/46/19/440214619.db2.gz VQFSMPGOKMRHIQ-KRWDZBQOSA-N 1 3 346.475 0.963 20 0 ECADHO COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000664035868 440221033 /nfs/dbraw/zinc/22/10/33/440221033.db2.gz SMEKDWPQEDHQIU-GJZGRUSLSA-N 1 3 342.484 0.192 20 0 ECADHO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659079709 440232426 /nfs/dbraw/zinc/23/24/26/440232426.db2.gz WYWOPMJAKFUKKB-HNNXBMFYSA-N 1 3 334.420 0.306 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643531950 440202739 /nfs/dbraw/zinc/20/27/39/440202739.db2.gz FEWFATMDDVPRGP-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000627439323 440205371 /nfs/dbraw/zinc/20/53/71/440205371.db2.gz GKYPTYUNKYYSBE-CABCVRRESA-N 1 3 334.464 0.474 20 0 ECADHO CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976746 440206181 /nfs/dbraw/zinc/20/61/81/440206181.db2.gz SYRDIHAZKZIRNJ-HZPDHXFCSA-N 1 3 338.496 0.683 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000659023509 440207301 /nfs/dbraw/zinc/20/73/01/440207301.db2.gz ITRWVVWOPRRDSM-UHFFFAOYSA-N 1 3 335.452 0.937 20 0 ECADHO C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]1O ZINC000647993722 440208042 /nfs/dbraw/zinc/20/80/42/440208042.db2.gz MCXAPLORXXBBTF-ULQDDVLXSA-N 1 3 332.448 0.577 20 0 ECADHO O=C(CNC(=O)NCC[NH2+]C1CC1)NCCN1CCCCCC1 ZINC000637348312 440239002 /nfs/dbraw/zinc/23/90/02/440239002.db2.gz RSATXMVFENOENZ-UHFFFAOYSA-N 1 3 325.457 0.030 20 0 ECADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000648177520 440252979 /nfs/dbraw/zinc/25/29/79/440252979.db2.gz FTVFPVMAAMIMRL-BFHYXJOUSA-N 1 3 331.407 0.976 20 0 ECADHO C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000664184388 440251074 /nfs/dbraw/zinc/25/10/74/440251074.db2.gz WGBFFYVUMYTNFM-AWEZNQCLSA-N 1 3 341.500 0.378 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3CCC([NH3+])CC3)ccc2[nH]c1=O ZINC000637799446 440339036 /nfs/dbraw/zinc/33/90/36/440339036.db2.gz VHYBOGIYGOYHKO-UHFFFAOYSA-N 1 3 331.420 0.867 20 0 ECADHO O=C(NCC[NH2+]C1CC1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659510158 440350029 /nfs/dbraw/zinc/35/00/29/440350029.db2.gz LXLZVWVUPNMPIX-QGZVFWFLSA-N 1 3 332.448 0.804 20 0 ECADHO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NC[C@H]1CNCCO1 ZINC000659555181 440361874 /nfs/dbraw/zinc/36/18/74/440361874.db2.gz PADVCXCCSSCZJM-DLBZAZTESA-N 1 3 348.447 0.041 20 0 ECADHO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)NC[C@H]1CNCCO1 ZINC000659555181 440361881 /nfs/dbraw/zinc/36/18/81/440361881.db2.gz PADVCXCCSSCZJM-DLBZAZTESA-N 1 3 348.447 0.041 20 0 ECADHO C[NH+](C)CCOCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000664731431 440365980 /nfs/dbraw/zinc/36/59/80/440365980.db2.gz HFLDDBJLNHVCNT-OAHLLOKOSA-N 1 3 328.457 0.117 20 0 ECADHO C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@@H+]1CCC[C@H](C)C1 ZINC000659435306 440323871 /nfs/dbraw/zinc/32/38/71/440323871.db2.gz XMCKGNZKSJRBGV-RYUDHWBXSA-N 1 3 336.440 0.561 20 0 ECADHO C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@H+]1CCC[C@H](C)C1 ZINC000659435306 440323878 /nfs/dbraw/zinc/32/38/78/440323878.db2.gz XMCKGNZKSJRBGV-RYUDHWBXSA-N 1 3 336.440 0.561 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)C2)cc1 ZINC000637720821 440327409 /nfs/dbraw/zinc/32/74/09/440327409.db2.gz XDMZIECKPMAOKB-MJGOQNOKSA-N 1 3 346.475 0.935 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@]3(O)CC[N@H+](C)C3)C2)cc1 ZINC000637720821 440327416 /nfs/dbraw/zinc/32/74/16/440327416.db2.gz XDMZIECKPMAOKB-MJGOQNOKSA-N 1 3 346.475 0.935 20 0 ECADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659453080 440328813 /nfs/dbraw/zinc/32/88/13/440328813.db2.gz QIBWLESFUVLDMG-ZIAGYGMSSA-N 1 3 330.448 0.957 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1CN(C)C ZINC000633030707 440414983 /nfs/dbraw/zinc/41/49/83/440414983.db2.gz LDDARMNLHKIJKL-IYBDPMFKSA-N 1 3 330.432 0.958 20 0 ECADHO Cc1cnc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000665080149 440416333 /nfs/dbraw/zinc/41/63/33/440416333.db2.gz LMWYJIJUSLCWJN-HNNXBMFYSA-N 1 3 336.484 0.899 20 0 ECADHO Cc1cnc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000665080149 440416340 /nfs/dbraw/zinc/41/63/40/440416340.db2.gz LMWYJIJUSLCWJN-HNNXBMFYSA-N 1 3 336.484 0.899 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCNC1=O ZINC000665123001 440423979 /nfs/dbraw/zinc/42/39/79/440423979.db2.gz YVGUKGXAVDIHSX-UONOGXRCSA-N 1 3 327.473 0.084 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCNC1=O ZINC000665123001 440423987 /nfs/dbraw/zinc/42/39/87/440423987.db2.gz YVGUKGXAVDIHSX-UONOGXRCSA-N 1 3 327.473 0.084 20 0 ECADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000649271451 440427051 /nfs/dbraw/zinc/42/70/51/440427051.db2.gz IAFXJBKQUFIWDZ-GOSISDBHSA-N 1 3 345.491 0.657 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)n1 ZINC000659629175 440383201 /nfs/dbraw/zinc/38/32/01/440383201.db2.gz PGLXSXLSTNJDNB-OCCSQVGLSA-N 1 3 348.451 0.705 20 0 ECADHO CN(CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)C1CC1 ZINC000638082728 440428625 /nfs/dbraw/zinc/42/86/25/440428625.db2.gz IWAOJKDABHMABN-UHFFFAOYSA-N 1 3 342.394 0.964 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659677951 440413042 /nfs/dbraw/zinc/41/30/42/440413042.db2.gz JDNJKPYWTIUYCR-NVXWUHKLSA-N 1 3 346.475 0.739 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])Cc1ccccc1 ZINC000659675813 440413344 /nfs/dbraw/zinc/41/33/44/440413344.db2.gz YECKMQYHTIGSHK-OAHLLOKOSA-N 1 3 334.464 0.471 20 0 ECADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638149669 440466993 /nfs/dbraw/zinc/46/69/93/440466993.db2.gz SONPWSACKFYMGG-JYJNAYRXSA-N 1 3 338.496 0.857 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737360 440472890 /nfs/dbraw/zinc/47/28/90/440472890.db2.gz TUTYQLHRZKCBLC-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1NCCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@@H]1C ZINC000638206024 440477929 /nfs/dbraw/zinc/47/79/29/440477929.db2.gz KNRVEOHWMFACJE-NXEZZACHSA-N 1 3 342.394 0.963 20 0 ECADHO [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000633080690 440432597 /nfs/dbraw/zinc/43/25/97/440432597.db2.gz GDNRBWNGJSTFKG-JKSUJKDBSA-N 1 3 336.480 0.803 20 0 ECADHO COC[C@@]1(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCCN1 ZINC000638119024 440448481 /nfs/dbraw/zinc/44/84/81/440448481.db2.gz HAGUHMPLMORJHG-CRAIPNDOSA-N 1 3 339.480 0.762 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000638121514 440449936 /nfs/dbraw/zinc/44/99/36/440449936.db2.gz JJPQFCAPTCLHSS-WMZOPIPTSA-N 1 3 331.460 0.969 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000649312554 440457254 /nfs/dbraw/zinc/45/72/54/440457254.db2.gz YYQJDGCVHWRYMB-HZPDHXFCSA-N 1 3 338.496 0.382 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000649321198 440460080 /nfs/dbraw/zinc/46/00/80/440460080.db2.gz OCUZAQSNJFHCEQ-KCXAZCMYSA-N 1 3 333.436 0.158 20 0 ECADHO COC[C@@]1(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCCCN1 ZINC000638262424 440488527 /nfs/dbraw/zinc/48/85/27/440488527.db2.gz OEVUEYBELJNLGA-RHSMWYFYSA-N 1 3 325.453 0.359 20 0 ECADHO CN(CCN1CCN(CCN2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000649412417 440494841 /nfs/dbraw/zinc/49/48/41/440494841.db2.gz JLBSRHWIGULDDG-UHFFFAOYSA-N 1 3 345.535 0.641 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000665595466 440498891 /nfs/dbraw/zinc/49/88/91/440498891.db2.gz ZUPAKXDXENEHIX-IHRRRGAJSA-N 1 3 337.472 0.855 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000665595466 440498895 /nfs/dbraw/zinc/49/88/95/440498895.db2.gz ZUPAKXDXENEHIX-IHRRRGAJSA-N 1 3 337.472 0.855 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638328732 440515758 /nfs/dbraw/zinc/51/57/58/440515758.db2.gz KGCJOHWNVHWUJD-IRXDYDNUSA-N 1 3 341.496 0.962 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000638367335 440521662 /nfs/dbraw/zinc/52/16/62/440521662.db2.gz URTKTGXSKNTPAO-INIZCTEOSA-N 1 3 341.496 0.962 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCSC[C@@H]1CCO ZINC000665760795 440526036 /nfs/dbraw/zinc/52/60/36/440526036.db2.gz PGDZSPFYCSYVKX-GJZGRUSLSA-N 1 3 346.541 0.768 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCSC[C@@H]1CCO ZINC000665760795 440526047 /nfs/dbraw/zinc/52/60/47/440526047.db2.gz PGDZSPFYCSYVKX-GJZGRUSLSA-N 1 3 346.541 0.768 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCN2CCC1CC2 ZINC000665762886 440527536 /nfs/dbraw/zinc/52/75/36/440527536.db2.gz SLOHQFZUQIPKNB-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000665763897 440529488 /nfs/dbraw/zinc/52/94/88/440529488.db2.gz OELJUPARAAUOSP-GJZGRUSLSA-N 1 3 344.500 0.440 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000665763897 440529493 /nfs/dbraw/zinc/52/94/93/440529493.db2.gz OELJUPARAAUOSP-GJZGRUSLSA-N 1 3 344.500 0.440 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)[C@H]1CCCOC1 ZINC000665764204 440529883 /nfs/dbraw/zinc/52/98/83/440529883.db2.gz YDGOPIJNVNOTEB-JYJNAYRXSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)[C@H]1CCCOC1 ZINC000665764204 440529885 /nfs/dbraw/zinc/52/98/85/440529885.db2.gz YDGOPIJNVNOTEB-JYJNAYRXSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000665764528 440530328 /nfs/dbraw/zinc/53/03/28/440530328.db2.gz HVSBADQKOQEQDM-YQQAZPJKSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000665764528 440530348 /nfs/dbraw/zinc/53/03/48/440530348.db2.gz HVSBADQKOQEQDM-YQQAZPJKSA-N 1 3 328.501 0.918 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC[C@@H]1C(F)(F)F ZINC000638565081 440569574 /nfs/dbraw/zinc/56/95/74/440569574.db2.gz YGCPMSJILOXOBM-VOAKCMCISA-N 1 3 335.370 0.835 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000638592763 440576772 /nfs/dbraw/zinc/57/67/72/440576772.db2.gz PIYRCZAHNJBIIG-UHFFFAOYSA-N 1 3 327.469 0.716 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638728309 440609061 /nfs/dbraw/zinc/60/90/61/440609061.db2.gz MQIQPVNZTHWCJX-KRWDZBQOSA-N 1 3 339.480 0.845 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638740050 440613160 /nfs/dbraw/zinc/61/31/60/440613160.db2.gz XKAOCKKSVDZVDZ-UHFFFAOYSA-N 1 3 341.477 0.659 20 0 ECADHO CC[C@H](CNS(C)(=O)=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772755 440624612 /nfs/dbraw/zinc/62/46/12/440624612.db2.gz MALWQTXCSQZWQO-HIFRSBDPSA-N 1 3 333.498 0.547 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(N)=O)n1 ZINC000666405097 440635349 /nfs/dbraw/zinc/63/53/49/440635349.db2.gz RVBZBHYCZMMZSS-LBPRGKRZSA-N 1 3 336.440 0.574 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(N)=O)n1 ZINC000666405097 440635353 /nfs/dbraw/zinc/63/53/53/440635353.db2.gz RVBZBHYCZMMZSS-LBPRGKRZSA-N 1 3 336.440 0.574 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1=O ZINC000638877130 440636387 /nfs/dbraw/zinc/63/63/87/440636387.db2.gz HIJHJVZZILTELS-DLBZAZTESA-N 1 3 346.475 0.473 20 0 ECADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000666761650 440686364 /nfs/dbraw/zinc/68/63/64/440686364.db2.gz YACKZNFMTCOYSY-OAHLLOKOSA-N 1 3 326.485 0.863 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000660349170 440639139 /nfs/dbraw/zinc/63/91/39/440639139.db2.gz WAIXZAQCLVIHRQ-ARFHVFGLSA-N 1 3 338.496 0.917 20 0 ECADHO Cc1cc(NC(=O)CC[NH2+]C2CCN(C[C@H]3CCOC3)CC2)no1 ZINC000644570849 440645297 /nfs/dbraw/zinc/64/52/97/440645297.db2.gz CJHWYKSNRMJURN-CQSZACIVSA-N 1 3 336.436 1.402 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656061953 440704068 /nfs/dbraw/zinc/70/40/68/440704068.db2.gz BKKNRPSDAXOGFF-GASCZTMLSA-N 1 3 326.485 0.489 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)C1=O ZINC000629541492 440721771 /nfs/dbraw/zinc/72/17/71/440721771.db2.gz VNAWCQCLENREAT-UONOGXRCSA-N 1 3 338.452 0.535 20 0 ECADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629551578 440725587 /nfs/dbraw/zinc/72/55/87/440725587.db2.gz WCWLGSRKPWBEBD-RANZSIQMSA-N 1 3 334.464 0.624 20 0 ECADHO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000629560112 440727354 /nfs/dbraw/zinc/72/73/54/440727354.db2.gz DDMMWVXTUQHFEG-CABCVRRESA-N 1 3 332.448 0.411 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656290243 440754045 /nfs/dbraw/zinc/75/40/45/440754045.db2.gz TWXUYOZEURIDBS-IAGOWNOFSA-N 1 3 348.491 0.863 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651196930 440768207 /nfs/dbraw/zinc/76/82/07/440768207.db2.gz RJBKKGWFBBCNJX-UHFFFAOYSA-N 1 3 341.500 0.380 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651196930 440768212 /nfs/dbraw/zinc/76/82/12/440768212.db2.gz RJBKKGWFBBCNJX-UHFFFAOYSA-N 1 3 341.500 0.380 20 0 ECADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656355599 440785426 /nfs/dbraw/zinc/78/54/26/440785426.db2.gz LUXJIZAQUVPLKQ-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656355501 440786998 /nfs/dbraw/zinc/78/69/98/440786998.db2.gz KWQXULYKQAXMAV-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635498550 440868866 /nfs/dbraw/zinc/86/88/66/440868866.db2.gz GKMLWXILWPIXOF-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635498550 440868869 /nfs/dbraw/zinc/86/88/69/440868869.db2.gz GKMLWXILWPIXOF-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000645959191 440957272 /nfs/dbraw/zinc/95/72/72/440957272.db2.gz FNXGVHGCCXDLEX-HOTGVXAUSA-N 1 3 349.479 0.630 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000635642984 440929937 /nfs/dbraw/zinc/92/99/37/440929937.db2.gz CIRUBABAKXYNKR-XIRDDKMYSA-N 1 3 339.480 0.401 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000635634345 440932323 /nfs/dbraw/zinc/93/23/23/440932323.db2.gz VYNPGCUZVYNYOX-CVEARBPZSA-N 1 3 327.469 0.666 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000635634345 440932327 /nfs/dbraw/zinc/93/23/27/440932327.db2.gz VYNPGCUZVYNYOX-CVEARBPZSA-N 1 3 327.469 0.666 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1nnc(C(F)F)o1 ZINC000630930937 440982450 /nfs/dbraw/zinc/98/24/50/440982450.db2.gz KMPKQGMSXDENKW-UHFFFAOYSA-N 1 3 333.383 0.892 20 0 ECADHO CN(C)C(=O)CC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338017 441015177 /nfs/dbraw/zinc/01/51/77/441015177.db2.gz OWYHVEPEXOSQRH-AWEZNQCLSA-N 1 3 334.468 0.477 20 0 ECADHO CN(C)C(=O)CC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338017 441015183 /nfs/dbraw/zinc/01/51/83/441015183.db2.gz OWYHVEPEXOSQRH-AWEZNQCLSA-N 1 3 334.468 0.477 20 0 ECADHO Cn1cc(CC[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)cn1 ZINC000662338759 441017831 /nfs/dbraw/zinc/01/78/31/441017831.db2.gz VNOWBYIJXWSXSE-MRXNPFEDSA-N 1 3 343.479 0.975 20 0 ECADHO Cn1cc(CC[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)cn1 ZINC000662338759 441017837 /nfs/dbraw/zinc/01/78/37/441017837.db2.gz VNOWBYIJXWSXSE-MRXNPFEDSA-N 1 3 343.479 0.975 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cnnn1C1CC[NH2+]CC1 ZINC000662564750 441070400 /nfs/dbraw/zinc/07/04/00/441070400.db2.gz VUOXHVSPRRIQLP-UHFFFAOYSA-N 1 3 342.403 0.937 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631206776 441025310 /nfs/dbraw/zinc/02/53/10/441025310.db2.gz CZFJLFJCOWVCSO-UHFFFAOYSA-N 1 3 336.484 0.154 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662438447 441040218 /nfs/dbraw/zinc/04/02/18/441040218.db2.gz SJCCGSHPMNKMMS-RDJZCZTQSA-N 1 3 344.459 0.925 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662438447 441040226 /nfs/dbraw/zinc/04/02/26/441040226.db2.gz SJCCGSHPMNKMMS-RDJZCZTQSA-N 1 3 344.459 0.925 20 0 ECADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)n1cc(CC[NH3+])nn1 ZINC000641005680 441043834 /nfs/dbraw/zinc/04/38/34/441043834.db2.gz VCMIHGBBWBSQSL-ZBFHGGJFSA-N 1 3 342.447 0.731 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCn3nc4ccccn4c3=O)C2)C1 ZINC000652347536 441057299 /nfs/dbraw/zinc/05/72/99/441057299.db2.gz DBINEZFUHPPVOA-XHSDSOJGSA-N 1 3 345.447 0.714 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652347497 441058659 /nfs/dbraw/zinc/05/86/59/441058659.db2.gz CKSWACYLYZDMRV-BFHYXJOUSA-N 1 3 338.452 0.535 20 0 ECADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000646433280 441061690 /nfs/dbraw/zinc/06/16/90/441061690.db2.gz RHMVUULVLKFQRA-CZUORRHYSA-N 1 3 332.448 0.592 20 0 ECADHO C[C@H]([NH3+])CNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000641425604 441117355 /nfs/dbraw/zinc/11/73/55/441117355.db2.gz QCBAHLRQUHPWJT-INIZCTEOSA-N 1 3 333.480 0.793 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332640378 320907917 /nfs/dbraw/zinc/90/79/17/320907917.db2.gz HKUADWYTFCKVON-HOTGVXAUSA-N 1 3 336.480 0.661 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332653646 320908839 /nfs/dbraw/zinc/90/88/39/320908839.db2.gz KUXXVXYHNLSXQO-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000339498372 320983807 /nfs/dbraw/zinc/98/38/07/320983807.db2.gz QTLSSBATQRPCCB-UHFFFAOYSA-N 1 3 338.496 0.966 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC2CCN(CC)CC2)CC1 ZINC000339671626 320995801 /nfs/dbraw/zinc/99/58/01/320995801.db2.gz VMLITJQYWMNMRH-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000339684838 320997883 /nfs/dbraw/zinc/99/78/83/320997883.db2.gz VCROOYAYFSFCKL-DOTOQJQBSA-N 1 3 348.491 0.732 20 0 ECADHO CCN(CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1)C1CC1 ZINC000339934782 321004934 /nfs/dbraw/zinc/00/49/34/321004934.db2.gz SEWLKVUVRPGQEC-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340219185 321024564 /nfs/dbraw/zinc/02/45/64/321024564.db2.gz ZRIDNQMSYMIYDH-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000342062636 321074773 /nfs/dbraw/zinc/07/47/73/321074773.db2.gz MQZFXBZNVFEHAO-AWEZNQCLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1CCC[C@](CNC(=O)C(=O)N(C)CCN(C)C)([NH+](C)C)C1 ZINC000343004720 321115881 /nfs/dbraw/zinc/11/58/81/321115881.db2.gz XLFWVZIYVJFOPK-YOEHRIQHSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000343179117 321126516 /nfs/dbraw/zinc/12/65/16/321126516.db2.gz WYUQLBRJSSONSK-LXTVHRRPSA-N 1 3 326.485 0.535 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000343179117 321126518 /nfs/dbraw/zinc/12/65/18/321126518.db2.gz WYUQLBRJSSONSK-LXTVHRRPSA-N 1 3 326.485 0.535 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@H](C)C1 ZINC000346415429 321219211 /nfs/dbraw/zinc/21/92/11/321219211.db2.gz QSFKBEQGSUAEQA-PMPSAXMXSA-N 1 3 338.496 0.585 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@H](C)C1 ZINC000346415429 321219212 /nfs/dbraw/zinc/21/92/12/321219212.db2.gz QSFKBEQGSUAEQA-PMPSAXMXSA-N 1 3 338.496 0.585 20 0 ECADHO O=C1CC[C@@H]2CN(CCCCC[N@@H+]3CCN4C(=O)CC[C@H]4C3)CCN12 ZINC000346466057 321222702 /nfs/dbraw/zinc/22/27/02/321222702.db2.gz VTRHRZAHHYYWOI-CALCHBBNSA-N 1 3 348.491 0.770 20 0 ECADHO O=C1CC[C@@H]2CN(CCCCC[N@H+]3CCN4C(=O)CC[C@H]4C3)CCN12 ZINC000346466057 321222704 /nfs/dbraw/zinc/22/27/04/321222704.db2.gz VTRHRZAHHYYWOI-CALCHBBNSA-N 1 3 348.491 0.770 20 0 ECADHO O=C1CC[C@@H]2C[N@H+](CCCCCN3CCN4C(=O)CC[C@H]4C3)CCN12 ZINC000346466057 321222705 /nfs/dbraw/zinc/22/27/05/321222705.db2.gz VTRHRZAHHYYWOI-CALCHBBNSA-N 1 3 348.491 0.770 20 0 ECADHO O=C1CC[C@@H]2C[N@@H+](CCCCCN3CCN4C(=O)CC[C@H]4C3)CCN12 ZINC000346466057 321222706 /nfs/dbraw/zinc/22/27/06/321222706.db2.gz VTRHRZAHHYYWOI-CALCHBBNSA-N 1 3 348.491 0.770 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000347977407 321261955 /nfs/dbraw/zinc/26/19/55/321261955.db2.gz OJEIULYEMCXGTR-BZUAXINKSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000347977407 321261957 /nfs/dbraw/zinc/26/19/57/321261957.db2.gz OJEIULYEMCXGTR-BZUAXINKSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C(=O)N1CCOCC1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359211073 321588194 /nfs/dbraw/zinc/58/81/94/321588194.db2.gz FOUUYLPPRLMHBE-INIZCTEOSA-N 1 3 338.496 0.241 20 0 ECADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000359334667 321594597 /nfs/dbraw/zinc/59/45/97/321594597.db2.gz WKSURXRWDKOCBQ-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCCC(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000531357101 322039257 /nfs/dbraw/zinc/03/92/57/322039257.db2.gz FDZMCERQQVKVQF-MRXNPFEDSA-N 1 3 340.512 0.977 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000532790164 322061310 /nfs/dbraw/zinc/06/13/10/322061310.db2.gz GBMNKXFXPMJEPU-SJLPKXTDSA-N 1 3 334.464 0.722 20 0 ECADHO O=C(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000559483829 322220858 /nfs/dbraw/zinc/22/08/58/322220858.db2.gz SFUODTFFZVWADN-HOTGVXAUSA-N 1 3 334.464 0.380 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000561185819 322255419 /nfs/dbraw/zinc/25/54/19/322255419.db2.gz JZAJOBQFTLZEEB-WMZOPIPTSA-N 1 3 345.491 0.711 20 0 ECADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000562661563 322280442 /nfs/dbraw/zinc/28/04/42/322280442.db2.gz OFVMCQBUVQOOPC-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000562815862 322285745 /nfs/dbraw/zinc/28/57/45/322285745.db2.gz FMPHZPMJBAKQMS-WMZOPIPTSA-N 1 3 343.475 0.563 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000563119544 322299321 /nfs/dbraw/zinc/29/93/21/322299321.db2.gz ITIQRRCQDVUKFH-CQSZACIVSA-N 1 3 343.497 0.421 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000563407479 322316093 /nfs/dbraw/zinc/31/60/93/322316093.db2.gz GJQVCQRMPNYHLM-MRXNPFEDSA-N 1 3 336.480 0.659 20 0 ECADHO C[NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000563411564 322316547 /nfs/dbraw/zinc/31/65/47/322316547.db2.gz HUSIGDVRQDKMGW-HNNXBMFYSA-N 1 3 334.464 0.884 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000563545574 322327823 /nfs/dbraw/zinc/32/78/23/322327823.db2.gz FBDYVRROVRFISE-XHSDSOJGSA-N 1 3 325.501 0.639 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000563545574 322327825 /nfs/dbraw/zinc/32/78/25/322327825.db2.gz FBDYVRROVRFISE-XHSDSOJGSA-N 1 3 325.501 0.639 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563639007 322336537 /nfs/dbraw/zinc/33/65/37/322336537.db2.gz YGNKJMASCVKHKE-ARFHVFGLSA-N 1 3 338.496 0.727 20 0 ECADHO CN1CCN(C[C@H](O)CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC000563882273 322350117 /nfs/dbraw/zinc/35/01/17/322350117.db2.gz WPKNWCODZFEPJR-RBUKOAKNSA-N 1 3 348.491 0.273 20 0 ECADHO CN1CCN(C[C@H](O)CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC000563882273 322350119 /nfs/dbraw/zinc/35/01/19/322350119.db2.gz WPKNWCODZFEPJR-RBUKOAKNSA-N 1 3 348.491 0.273 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000566974253 322563710 /nfs/dbraw/zinc/56/37/10/322563710.db2.gz WTRIIKRUNYJGSQ-NSHDSACASA-N 1 3 331.486 0.467 20 0 ECADHO CC(C)[NH+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)C ZINC000569472038 322654537 /nfs/dbraw/zinc/65/45/37/322654537.db2.gz FXHCJHIOXYWECR-KBPBESRZSA-N 1 3 325.457 0.059 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000570550256 322691458 /nfs/dbraw/zinc/69/14/58/322691458.db2.gz ZFBTZJLMTDOCCI-KRWDZBQOSA-N 1 3 346.475 0.391 20 0 ECADHO N[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H]1c1ccccc1 ZINC000573605497 322764720 /nfs/dbraw/zinc/76/47/20/322764720.db2.gz CGHHMJHCSBXQLO-HRCADAONSA-N 1 3 340.431 0.597 20 0 ECADHO C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C(=O)NCCN1CCCCC1 ZINC000574755095 322784757 /nfs/dbraw/zinc/78/47/57/322784757.db2.gz VYCUEXKFYDYDJU-IIDMSEBBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000574906280 322787138 /nfs/dbraw/zinc/78/71/38/322787138.db2.gz LDFXQWNDVJLDBE-GOSISDBHSA-N 1 3 345.491 0.937 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000580310504 322921580 /nfs/dbraw/zinc/92/15/80/322921580.db2.gz XQYGTUIAWBKIPH-GOSISDBHSA-N 1 3 345.491 0.462 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000343017296 546093780 /nfs/dbraw/zinc/09/37/80/546093780.db2.gz SMTMTDXYAVNPCA-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000620624099 546439506 /nfs/dbraw/zinc/43/95/06/546439506.db2.gz NSLKBTXEZLWEMA-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000620624099 546439511 /nfs/dbraw/zinc/43/95/11/546439511.db2.gz NSLKBTXEZLWEMA-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO NC(=O)C[C@H]1CCN(CC2(C[N@@H+]3CC[C@H](CC(N)=O)C3)CCC2)C1 ZINC000621295433 546499306 /nfs/dbraw/zinc/49/93/06/546499306.db2.gz JHQLQZKBWNFHBD-HUUCEWRRSA-N 1 3 336.480 0.551 20 0 ECADHO NC(=O)C[C@H]1CCN(CC2(C[N@H+]3CC[C@H](CC(N)=O)C3)CCC2)C1 ZINC000621295433 546499309 /nfs/dbraw/zinc/49/93/09/546499309.db2.gz JHQLQZKBWNFHBD-HUUCEWRRSA-N 1 3 336.480 0.551 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621848621 546577274 /nfs/dbraw/zinc/57/72/74/546577274.db2.gz CRXFXVILAOTEQR-RLFYNMQTSA-N 1 3 336.480 0.563 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028026 546609531 /nfs/dbraw/zinc/60/95/31/546609531.db2.gz KVGPDJJFOULRHR-MAUKXSAKSA-N 1 3 338.496 0.907 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625572641 547153389 /nfs/dbraw/zinc/15/33/89/547153389.db2.gz HJASYVZIFKXHQU-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@H]1CCN(CC)C1 ZINC000668581866 547691871 /nfs/dbraw/zinc/69/18/71/547691871.db2.gz MVMRJVOQWZZCEX-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000669496355 547899385 /nfs/dbraw/zinc/89/93/85/547899385.db2.gz CDKICNFWDQXRKU-PBHICJAKSA-N 1 3 346.475 0.843 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C1CC1 ZINC000670442119 548011636 /nfs/dbraw/zinc/01/16/36/548011636.db2.gz MNUXEBMXLIEXOC-NHIYQJMISA-N 1 3 334.464 0.423 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C1CC1 ZINC000670442119 548011639 /nfs/dbraw/zinc/01/16/39/548011639.db2.gz MNUXEBMXLIEXOC-NHIYQJMISA-N 1 3 334.464 0.423 20 0 ECADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccn1 ZINC000670546177 548031332 /nfs/dbraw/zinc/03/13/32/548031332.db2.gz DKHUASWOWXKAAV-AWEZNQCLSA-N 1 3 335.452 0.211 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000670783542 548048607 /nfs/dbraw/zinc/04/86/07/548048607.db2.gz AYOIHZUFBVQOOC-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000670783542 548048608 /nfs/dbraw/zinc/04/86/08/548048608.db2.gz AYOIHZUFBVQOOC-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000670895122 548066869 /nfs/dbraw/zinc/06/68/69/548066869.db2.gz QSWHGFJODOHXLH-QGZVFWFLSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000671099683 548091166 /nfs/dbraw/zinc/09/11/66/548091166.db2.gz GHXJFCAATXZNOF-OWCLPIDISA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000671099683 548091169 /nfs/dbraw/zinc/09/11/69/548091169.db2.gz GHXJFCAATXZNOF-OWCLPIDISA-N 1 3 334.464 0.426 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671122317 548094842 /nfs/dbraw/zinc/09/48/42/548094842.db2.gz SQQDNDDLTDIVNZ-CABCVRRESA-N 1 3 334.464 0.187 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671122317 548094847 /nfs/dbraw/zinc/09/48/47/548094847.db2.gz SQQDNDDLTDIVNZ-CABCVRRESA-N 1 3 334.464 0.187 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671122233 548095189 /nfs/dbraw/zinc/09/51/89/548095189.db2.gz AVXBSURMCZTFRR-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000671122233 548095191 /nfs/dbraw/zinc/09/51/91/548095191.db2.gz AVXBSURMCZTFRR-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671820477 548233876 /nfs/dbraw/zinc/23/38/76/548233876.db2.gz HRMMFUTVJIGTQP-CQSZACIVSA-N 1 3 333.436 0.187 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000672098943 548269821 /nfs/dbraw/zinc/26/98/21/548269821.db2.gz QZBVDHIJYICNSA-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000672098943 548269827 /nfs/dbraw/zinc/26/98/27/548269827.db2.gz QZBVDHIJYICNSA-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000672698248 548374349 /nfs/dbraw/zinc/37/43/49/548374349.db2.gz NJIVGMRYFADFLA-JKSUJKDBSA-N 1 3 338.496 0.966 20 0 ECADHO COCCN(CCN(C)C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870098 548552502 /nfs/dbraw/zinc/55/25/02/548552502.db2.gz UYEZCHVQQCIYKN-UHFFFAOYSA-N 1 3 326.445 0.487 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000682228740 549375074 /nfs/dbraw/zinc/37/50/74/549375074.db2.gz FBRZRHPLPZGMSU-UHFFFAOYSA-N 1 3 347.463 0.930 20 0 ECADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000685233520 549669087 /nfs/dbraw/zinc/66/90/87/549669087.db2.gz SGTSKQSJLZGDSW-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO CCN1CCC[C@H]1CNC(=S)NCCN1CCC([NH+](C)C)CC1 ZINC000749004691 579332298 /nfs/dbraw/zinc/33/22/98/579332298.db2.gz HAICEYLLLPEDGL-INIZCTEOSA-N 1 3 341.569 0.961 20 0 ECADHO CN(C)CCNC(=S)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000730468414 578306153 /nfs/dbraw/zinc/30/61/53/578306153.db2.gz XJSYRQHHBVPXOH-OAHLLOKOSA-N 1 3 327.542 0.524 20 0 ECADHO CN(C)CCNC(=S)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000730468414 578306154 /nfs/dbraw/zinc/30/61/54/578306154.db2.gz XJSYRQHHBVPXOH-OAHLLOKOSA-N 1 3 327.542 0.524 20 0 ECADHO CCN1CC[NH+](CCCCNC(=O)CCN2CCOCC2)CC1 ZINC000733975704 578350771 /nfs/dbraw/zinc/35/07/71/578350771.db2.gz JXTFTUAVJMSDEO-UHFFFAOYSA-N 1 3 326.485 0.243 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793715124 578937112 /nfs/dbraw/zinc/93/71/12/578937112.db2.gz WUZGYQNXYDBVFT-OAHLLOKOSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000762786843 579548286 /nfs/dbraw/zinc/54/82/86/579548286.db2.gz LGWVXYYYTJDGSR-UHOSZYNNSA-N 1 3 333.476 0.932 20 0 ECADHO C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000762786843 579548287 /nfs/dbraw/zinc/54/82/87/579548287.db2.gz LGWVXYYYTJDGSR-UHOSZYNNSA-N 1 3 333.476 0.932 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CCC(C[NH+](C)C)CC1)C2=O ZINC000738077040 579603053 /nfs/dbraw/zinc/60/30/53/579603053.db2.gz QONKPSCEBYCIJS-UHFFFAOYSA-N 1 3 337.468 0.234 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000841749357 588999822 /nfs/dbraw/zinc/99/98/22/588999822.db2.gz DIWYCBYCRFGZBB-KRWDZBQOSA-N 1 3 334.464 0.861 20 0 ECADHO COC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCOC1 ZINC000891180864 586086679 /nfs/dbraw/zinc/08/66/79/586086679.db2.gz KPHYDPKTMSIZFD-CVEARBPZSA-N 1 3 344.500 0.563 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891480262 586170641 /nfs/dbraw/zinc/17/06/41/586170641.db2.gz AHQDQXKXQFJLNJ-ZDUSSCGKSA-N 1 3 327.473 0.356 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000891483850 586170685 /nfs/dbraw/zinc/17/06/85/586170685.db2.gz SDORQZTXPDTJFO-HZSPNIEDSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000891497885 586171700 /nfs/dbraw/zinc/17/17/00/586171700.db2.gz OYRZPQNLRSSDHD-CJNGLKHVSA-N 1 3 347.463 0.609 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000891536939 586174801 /nfs/dbraw/zinc/17/48/01/586174801.db2.gz XKFGYCLPRQTEEO-DZGCQCFKSA-N 1 3 339.484 0.498 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891579964 586179410 /nfs/dbraw/zinc/17/94/10/586179410.db2.gz QICQQQCUVATASS-MRXNPFEDSA-N 1 3 325.501 0.927 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)CN1CCN(C)CC1 ZINC000891603893 586180871 /nfs/dbraw/zinc/18/08/71/586180871.db2.gz SBHRMMJZWPJEIL-JKSUJKDBSA-N 1 3 339.528 0.947 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891673276 586187833 /nfs/dbraw/zinc/18/78/33/586187833.db2.gz JFTBMHSBACHAAH-BMFZPTHFSA-N 1 3 336.480 0.927 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CC2)CC1 ZINC000892156595 586224908 /nfs/dbraw/zinc/22/49/08/586224908.db2.gz LJCQKYMKHFXUKJ-CQSZACIVSA-N 1 3 345.438 0.405 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000892274866 586241581 /nfs/dbraw/zinc/24/15/81/586241581.db2.gz UQMUGIVBBYKAIP-MRXNPFEDSA-N 1 3 335.496 0.692 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000892480576 586268804 /nfs/dbraw/zinc/26/88/04/586268804.db2.gz ILYJBCHRKRKADO-GJZGRUSLSA-N 1 3 326.485 0.911 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNC(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000896982077 586280297 /nfs/dbraw/zinc/28/02/97/586280297.db2.gz TYFLBNPFTUTEEO-UHFFFAOYSA-N 1 3 339.480 0.449 20 0 ECADHO CN1CC[C@]2(CCN(C(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)C1 ZINC000892759466 586288303 /nfs/dbraw/zinc/28/83/03/586288303.db2.gz ONIUIPPNHBVGOG-YJBOKZPZSA-N 1 3 336.480 0.882 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000893239059 586318598 /nfs/dbraw/zinc/31/85/98/586318598.db2.gz RAROZOVHUVCFAT-YESZJQIVSA-N 1 3 337.512 0.463 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000893239059 586318601 /nfs/dbraw/zinc/31/86/01/586318601.db2.gz RAROZOVHUVCFAT-YESZJQIVSA-N 1 3 337.512 0.463 20 0 ECADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000897557037 586344069 /nfs/dbraw/zinc/34/40/69/586344069.db2.gz DISXMKLVLFGDHI-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000897557037 586344072 /nfs/dbraw/zinc/34/40/72/586344072.db2.gz DISXMKLVLFGDHI-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000897567807 586345754 /nfs/dbraw/zinc/34/57/54/586345754.db2.gz NGVPBUMRGSSWRW-IXDOHACOSA-N 1 3 338.496 0.959 20 0 ECADHO C[N@H+]1CCCC[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000897567807 586345757 /nfs/dbraw/zinc/34/57/57/586345757.db2.gz NGVPBUMRGSSWRW-IXDOHACOSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H]1CCCN1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000893868463 586364654 /nfs/dbraw/zinc/36/46/54/586364654.db2.gz YINUZRAQHMIQTE-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO C[NH+](C)CCC[C@H]1CN(C(=O)C2CN(C3CCOCC3)C2)CCO1 ZINC000898990724 586460924 /nfs/dbraw/zinc/46/09/24/586460924.db2.gz MGKDBQSSRHGXLI-KRWDZBQOSA-N 1 3 339.480 0.666 20 0 ECADHO [NH3+]CCCCCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000843263483 589058300 /nfs/dbraw/zinc/05/83/00/589058300.db2.gz BPHGLOPAASLNHI-UHFFFAOYSA-N 1 3 333.436 0.366 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C1CN([C@@H]2CCOC2)C1 ZINC000900692196 586657116 /nfs/dbraw/zinc/65/71/16/586657116.db2.gz GMWCJKNYZCLSLO-QGZVFWFLSA-N 1 3 338.496 0.192 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1CN([C@@H]2CCOC2)C1 ZINC000900692196 586657117 /nfs/dbraw/zinc/65/71/17/586657117.db2.gz GMWCJKNYZCLSLO-QGZVFWFLSA-N 1 3 338.496 0.192 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1CN([C@@H]2CCOC2)C1 ZINC000900692196 586657118 /nfs/dbraw/zinc/65/71/18/586657118.db2.gz GMWCJKNYZCLSLO-QGZVFWFLSA-N 1 3 338.496 0.192 20 0 ECADHO CCO[C@H](CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)CN(C)C ZINC000900691661 586657192 /nfs/dbraw/zinc/65/71/92/586657192.db2.gz OBYBPBKMUSCBPY-HZPDHXFCSA-N 1 3 329.485 0.863 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000907454270 586722194 /nfs/dbraw/zinc/72/21/94/586722194.db2.gz AYGVYSOYXPLOPY-SFHVURJKSA-N 1 3 340.512 0.366 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000907454270 586722196 /nfs/dbraw/zinc/72/21/96/586722196.db2.gz AYGVYSOYXPLOPY-SFHVURJKSA-N 1 3 340.512 0.366 20 0 ECADHO CCOC(=O)c1cnn(C)c1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843354839 589063380 /nfs/dbraw/zinc/06/33/80/589063380.db2.gz HXBXYFSYYUNXOH-UHFFFAOYSA-N 1 3 337.424 0.737 20 0 ECADHO [NH3+]C[C@@H]1CCCN(CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903420649 586776121 /nfs/dbraw/zinc/77/61/21/586776121.db2.gz FGFQLCMHPZCHSR-AWEZNQCLSA-N 1 3 331.416 0.970 20 0 ECADHO CCOC(=O)N1CCC(NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903499165 586778233 /nfs/dbraw/zinc/77/82/33/586778233.db2.gz IBXKUYLPEOKXBH-ZIAGYGMSSA-N 1 3 340.468 0.640 20 0 ECADHO C[C@@H]1CN(CC(=O)NCCOc2ccc3c(c2)OCO3)C[C@H]1CC[NH3+] ZINC000903496723 586780057 /nfs/dbraw/zinc/78/00/57/586780057.db2.gz ACFBLPSZNFVNEC-ZIAGYGMSSA-N 1 3 349.431 0.827 20 0 ECADHO C[C@@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1CC[NH3+] ZINC000903494288 586780141 /nfs/dbraw/zinc/78/01/41/586780141.db2.gz AZKIJTNWTSKXDI-HUUCEWRRSA-N 1 3 348.447 0.481 20 0 ECADHO C[C@H]1CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)CCO1 ZINC000903510506 586781069 /nfs/dbraw/zinc/78/10/69/586781069.db2.gz RGTOLECLIAKIEH-BHYGNILZSA-N 1 3 336.480 0.134 20 0 ECADHO C[C@H]1CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)CCO1 ZINC000903510506 586781071 /nfs/dbraw/zinc/78/10/71/586781071.db2.gz RGTOLECLIAKIEH-BHYGNILZSA-N 1 3 336.480 0.134 20 0 ECADHO COC[C@H]1CCN(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)C1 ZINC000903562822 586786480 /nfs/dbraw/zinc/78/64/80/586786480.db2.gz VUHPTXHZIWDYFD-BHYGNILZSA-N 1 3 336.480 0.975 20 0 ECADHO COC[C@H]1CCN(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)C1 ZINC000903562822 586786482 /nfs/dbraw/zinc/78/64/82/586786482.db2.gz VUHPTXHZIWDYFD-BHYGNILZSA-N 1 3 336.480 0.975 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903719907 586801852 /nfs/dbraw/zinc/80/18/52/586801852.db2.gz ZOWCSSMOLJKIDT-HUUCEWRRSA-N 1 3 326.485 0.476 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903736764 586805953 /nfs/dbraw/zinc/80/59/53/586805953.db2.gz MICWRPMJLLKHGW-WMZOPIPTSA-N 1 3 338.496 0.241 20 0 ECADHO C[C@H](NC[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccc(S(N)(=O)=O)cc1 ZINC000903791304 586812829 /nfs/dbraw/zinc/81/28/29/586812829.db2.gz RLWGMRGHRYPCDB-NOLJZWGESA-N 1 3 339.461 0.753 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC(CN2CCOCC2)CC1 ZINC000903879755 586822640 /nfs/dbraw/zinc/82/26/40/586822640.db2.gz IWBIMJQBCFZSBO-QGZVFWFLSA-N 1 3 348.495 0.747 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCN(CC3CCOCC3)CC2)cnn1C ZINC000903892607 586823325 /nfs/dbraw/zinc/82/33/25/586823325.db2.gz KIQDWDGCMSYPCA-GOSISDBHSA-N 1 3 349.523 0.890 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@@H]1CCN(c2ccccn2)C1 ZINC000903923134 586826468 /nfs/dbraw/zinc/82/64/68/586826468.db2.gz MCUQUNJEOJSEJJ-HUUCEWRRSA-N 1 3 327.436 0.966 20 0 ECADHO CS(=O)(=O)Nc1ccc(N2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000904345219 586835597 /nfs/dbraw/zinc/83/55/97/586835597.db2.gz AJYIDDYJVYBOLK-OKILXGFUSA-N 1 3 338.477 0.917 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904512227 586839434 /nfs/dbraw/zinc/83/94/34/586839434.db2.gz WEYAMRCZLJUKBN-IAGOWNOFSA-N 1 3 345.447 0.790 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904512227 586839436 /nfs/dbraw/zinc/83/94/36/586839436.db2.gz WEYAMRCZLJUKBN-IAGOWNOFSA-N 1 3 345.447 0.790 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32CN)C1 ZINC000904970077 586851159 /nfs/dbraw/zinc/85/11/59/586851159.db2.gz FZHRQZQHCXJNHI-IIDMSEBBSA-N 1 3 336.480 0.705 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]2CC[C@]21CN ZINC000904971422 586851468 /nfs/dbraw/zinc/85/14/68/586851468.db2.gz INABAPWGCJMHAH-QAPCUYQASA-N 1 3 336.480 0.661 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@]32CN)C1 ZINC000904976767 586852849 /nfs/dbraw/zinc/85/28/49/586852849.db2.gz YXJKREUQFMLXHQ-DAYGRLMNSA-N 1 3 336.480 0.517 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@]32CN)C1 ZINC000904976767 586852850 /nfs/dbraw/zinc/85/28/50/586852850.db2.gz YXJKREUQFMLXHQ-DAYGRLMNSA-N 1 3 336.480 0.517 20 0 ECADHO NC[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000904974529 586853161 /nfs/dbraw/zinc/85/31/61/586853161.db2.gz SWBBCEWYZGAIOB-JTDSTZFVSA-N 1 3 348.491 0.661 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@]43CN)CC[C@H]21 ZINC000904974956 586853349 /nfs/dbraw/zinc/85/33/49/586853349.db2.gz UGBADKGPSFPPQQ-NNFUDEMPSA-N 1 3 348.491 0.659 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@]43CN)CC[C@H]21 ZINC000904974956 586853352 /nfs/dbraw/zinc/85/33/52/586853352.db2.gz UGBADKGPSFPPQQ-NNFUDEMPSA-N 1 3 348.491 0.659 20 0 ECADHO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000905000051 586857604 /nfs/dbraw/zinc/85/76/04/586857604.db2.gz IQDMYXXBDRHWRS-KSSFIOAISA-N 1 3 343.431 0.070 20 0 ECADHO O=C(C(=O)N1CCC[C@]12CC[NH2+]C2)N1CC[C@H](N2CCCCC2)C1 ZINC000905015188 586862258 /nfs/dbraw/zinc/86/22/58/586862258.db2.gz UVILANGHBSJPLV-MAUKXSAKSA-N 1 3 334.464 0.428 20 0 ECADHO O[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)C1(O)CCCC1 ZINC000905079075 586867167 /nfs/dbraw/zinc/86/71/67/586867167.db2.gz DJVYVLHAYCCNRK-GOSISDBHSA-N 1 3 348.491 0.849 20 0 ECADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)C[C@@]1(O)CCOC1 ZINC000905196138 586876301 /nfs/dbraw/zinc/87/63/01/586876301.db2.gz QGJGGNXOKFBCJZ-ROUUACIJSA-N 1 3 335.448 0.790 20 0 ECADHO CN1CCN(CC[NH2+]C[C@H](O)CC2(CO)CCCC2)CC1(C)C ZINC000905246431 586879237 /nfs/dbraw/zinc/87/92/37/586879237.db2.gz HSSSGXAGGPZEFM-MRXNPFEDSA-N 1 3 327.513 0.906 20 0 ECADHO CN1CCC[C@@H](N2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)C1 ZINC000905338009 586887812 /nfs/dbraw/zinc/88/78/12/586887812.db2.gz CFVQFFATTLTUEW-MRXNPFEDSA-N 1 3 344.525 0.028 20 0 ECADHO CN1CCN(C[C@@H](O)CN[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000905554617 586900623 /nfs/dbraw/zinc/90/06/23/586900623.db2.gz YGYYHKHEVBADQK-ROUUACIJSA-N 1 3 335.496 0.272 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)Nc2ccccc2C[NH3+])CCSC1 ZINC000906653684 586962309 /nfs/dbraw/zinc/96/23/09/586962309.db2.gz FZMKJMOKAMOXPN-INIZCTEOSA-N 1 3 336.461 0.637 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000817926988 587392274 /nfs/dbraw/zinc/39/22/74/587392274.db2.gz WZPKSKZEBSXYAA-MRXNPFEDSA-N 1 3 332.448 0.179 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000823028572 587697967 /nfs/dbraw/zinc/69/79/67/587697967.db2.gz IMNWWTHRKJXDGT-JKSUJKDBSA-N 1 3 327.469 0.381 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000823028572 587697968 /nfs/dbraw/zinc/69/79/68/587697968.db2.gz IMNWWTHRKJXDGT-JKSUJKDBSA-N 1 3 327.469 0.381 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000845045304 589129459 /nfs/dbraw/zinc/12/94/59/589129459.db2.gz RKPBKPOWJVNTHE-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO CN(C)CCNC(=S)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000849281150 589324571 /nfs/dbraw/zinc/32/45/71/589324571.db2.gz LNXVUKJVGFCVIT-INIZCTEOSA-N 1 3 336.505 0.779 20 0 ECADHO CN(C)CCNC(=S)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000849281150 589324572 /nfs/dbraw/zinc/32/45/72/589324572.db2.gz LNXVUKJVGFCVIT-INIZCTEOSA-N 1 3 336.505 0.779 20 0 ECADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849554505 589340542 /nfs/dbraw/zinc/34/05/42/589340542.db2.gz SQZOQLQTWDPZMF-HYVNUMGLSA-N 1 3 333.480 0.913 20 0 ECADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849554505 589340544 /nfs/dbraw/zinc/34/05/44/589340544.db2.gz SQZOQLQTWDPZMF-HYVNUMGLSA-N 1 3 333.480 0.913 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000851689600 589415165 /nfs/dbraw/zinc/41/51/65/589415165.db2.gz REICXLQMSAIEOU-OAHLLOKOSA-N 1 3 326.485 0.858 20 0 ECADHO NC[C@H]1CC(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)=NO1 ZINC000852868146 589519897 /nfs/dbraw/zinc/51/98/97/589519897.db2.gz OIPFGCKPNFIPSL-MRXNPFEDSA-N 1 3 346.431 0.881 20 0 ECADHO O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000852902708 589523808 /nfs/dbraw/zinc/52/38/08/589523808.db2.gz LJYOJTFCOGEYBC-MSOLQXFVSA-N 1 3 347.459 0.638 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000855698696 589642491 /nfs/dbraw/zinc/64/24/91/589642491.db2.gz SXEFESQLHHCRMN-UHFFFAOYSA-N 1 3 348.491 0.883 20 0 ECADHO CN(CC[Si](C)(C)CCN(C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000859209881 589808132 /nfs/dbraw/zinc/80/81/32/589808132.db2.gz NYJHLIBGNBVJBV-ZIAGYGMSSA-N 1 3 340.544 0.335 20 0 ECADHO CN(CC[Si](C)(C)CC[N@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000859209881 589808134 /nfs/dbraw/zinc/80/81/34/589808134.db2.gz NYJHLIBGNBVJBV-ZIAGYGMSSA-N 1 3 340.544 0.335 20 0 ECADHO CN(CC[Si](C)(C)CC[N@@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000859209881 589808135 /nfs/dbraw/zinc/80/81/35/589808135.db2.gz NYJHLIBGNBVJBV-ZIAGYGMSSA-N 1 3 340.544 0.335 20 0 ECADHO C[Si](C)(CCN1CCC[C@@H]1C(N)=O)CC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000859325922 589822277 /nfs/dbraw/zinc/82/22/77/589822277.db2.gz ZMDDDCMUBHDXQH-ZIAGYGMSSA-N 1 3 340.544 0.594 20 0 ECADHO C[Si](C)(CCN1CCC[C@@H]1C(N)=O)CC[N@H+]1CCC[C@@H]1C(N)=O ZINC000859325922 589822279 /nfs/dbraw/zinc/82/22/79/589822279.db2.gz ZMDDDCMUBHDXQH-ZIAGYGMSSA-N 1 3 340.544 0.594 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867741481 589833208 /nfs/dbraw/zinc/83/32/08/589833208.db2.gz FSRZASXWQPHQNI-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867741481 589833211 /nfs/dbraw/zinc/83/32/11/589833211.db2.gz FSRZASXWQPHQNI-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)[C@@H]2C1 ZINC000867800353 589845553 /nfs/dbraw/zinc/84/55/53/589845553.db2.gz XVATZQGRWJRFGS-ZJIFWQFVSA-N 1 3 334.464 0.092 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)[C@@H]2C1 ZINC000867800353 589845556 /nfs/dbraw/zinc/84/55/56/589845556.db2.gz XVATZQGRWJRFGS-ZJIFWQFVSA-N 1 3 334.464 0.092 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCN3C3CCCC3)CC[C@@H]21 ZINC000867800063 589845666 /nfs/dbraw/zinc/84/56/66/589845666.db2.gz SLUJWFBJOIJCDG-PVAVHDDUSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCN3C3CCCC3)CC[C@@H]21 ZINC000867800063 589845668 /nfs/dbraw/zinc/84/56/68/589845668.db2.gz SLUJWFBJOIJCDG-PVAVHDDUSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000861756481 589888202 /nfs/dbraw/zinc/88/82/02/589888202.db2.gz AFNNPXIEWGAPTL-HOCLYGCPSA-N 1 3 332.448 0.745 20 0 ECADHO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)ccc1OCCN(C)C ZINC000868306333 589890820 /nfs/dbraw/zinc/89/08/20/589890820.db2.gz RWWPQKJOOBFTJJ-HDJSIYSDSA-N 1 3 348.447 0.727 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000861772709 589890919 /nfs/dbraw/zinc/89/09/19/589890919.db2.gz YPCSKLDVGFOLIW-PBHICJAKSA-N 1 3 346.475 0.819 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@@H]21 ZINC000868388579 589900179 /nfs/dbraw/zinc/90/01/79/589900179.db2.gz JEENATKIXXDPBZ-IRXDYDNUSA-N 1 3 344.459 0.527 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@@H]21 ZINC000868388579 589900180 /nfs/dbraw/zinc/90/01/80/589900180.db2.gz JEENATKIXXDPBZ-IRXDYDNUSA-N 1 3 344.459 0.527 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000863761132 590035737 /nfs/dbraw/zinc/03/57/37/590035737.db2.gz DMWIKMOMYIHPJE-GDBMZVCRSA-N 1 3 332.448 0.525 20 0 ECADHO CC[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1)N(C)C ZINC000871462143 590071689 /nfs/dbraw/zinc/07/16/89/590071689.db2.gz OARXJXWVZAOHBK-RBSFLKMASA-N 1 3 342.484 0.010 20 0 ECADHO CC(C)(C)OC(=O)CN1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000872227885 590106529 /nfs/dbraw/zinc/10/65/29/590106529.db2.gz SENIALAJAYSACP-INIZCTEOSA-N 1 3 341.496 0.839 20 0 ECADHO CCO[C@@H]1COCC[C@H]1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000865178277 590129708 /nfs/dbraw/zinc/12/97/08/590129708.db2.gz SFAHXLSVYWMZDA-JKSUJKDBSA-N 1 3 329.485 0.770 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000874977763 590260463 /nfs/dbraw/zinc/26/04/63/590260463.db2.gz BHGFYPHSZCASLC-UHFFFAOYSA-N 1 3 325.501 0.750 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875061242 590266810 /nfs/dbraw/zinc/26/68/10/590266810.db2.gz YGWCHJLLWIUWNN-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000875061242 590266812 /nfs/dbraw/zinc/26/68/12/590266812.db2.gz YGWCHJLLWIUWNN-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CCN1C ZINC000875207474 590281908 /nfs/dbraw/zinc/28/19/08/590281908.db2.gz AUNBBDQKXHOITF-CQDIZWNASA-N 1 3 338.496 0.964 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875728253 590326122 /nfs/dbraw/zinc/32/61/22/590326122.db2.gz TWAVLWZJXFRYQO-SWKXRBFHSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)CN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1CC[NH+](C)CC1 ZINC000879702636 590336343 /nfs/dbraw/zinc/33/63/43/590336343.db2.gz SUBGILVOORLIAK-HNNXBMFYSA-N 1 3 340.512 0.879 20 0 ECADHO CCOC(=O)C1=CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000875835221 590336342 /nfs/dbraw/zinc/33/63/42/590336342.db2.gz HFRIQONSOWQMAS-OAHLLOKOSA-N 1 3 340.468 0.773 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000880251090 590378842 /nfs/dbraw/zinc/37/88/42/590378842.db2.gz YWXSXFXJDJLXIE-INIZCTEOSA-N 1 3 338.496 0.249 20 0 ECADHO COC(=O)CN(C)C(=O)CCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260112 590380348 /nfs/dbraw/zinc/38/03/48/590380348.db2.gz AUGFFTOWMNEXAC-CQSZACIVSA-N 1 3 334.420 0.614 20 0 ECADHO CN(C)C[C@H](N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000876762774 590411781 /nfs/dbraw/zinc/41/17/81/590411781.db2.gz GRYSMMBHJKGVMC-KRWDZBQOSA-N 1 3 334.464 0.666 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876781172 590414465 /nfs/dbraw/zinc/41/44/65/590414465.db2.gz DMGXVEWQKDPJGO-NVXWUHKLSA-N 1 3 349.454 0.658 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)ccc2[nH]c1=O ZINC000876870886 590420514 /nfs/dbraw/zinc/42/05/14/590420514.db2.gz OUDDJLAUGFSQSZ-CJNGLKHVSA-N 1 3 343.431 0.737 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1(C)C ZINC000877332283 590458033 /nfs/dbraw/zinc/45/80/33/590458033.db2.gz XPQAPSKPWBWRBH-IYOUNJFTSA-N 1 3 339.480 0.794 20 0 ECADHO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)NC2CCN(C)CC2)C1 ZINC000878453099 590522374 /nfs/dbraw/zinc/52/23/74/590522374.db2.gz GTBQIROPEKAVEG-KBPBESRZSA-N 1 3 340.468 0.653 20 0 ECADHO CN(CCN)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883609611 590630883 /nfs/dbraw/zinc/63/08/83/590630883.db2.gz AQYBNQFOINBHJT-INIZCTEOSA-N 1 3 345.447 0.327 20 0 ECADHO CN(CCN)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883609611 590630884 /nfs/dbraw/zinc/63/08/84/590630884.db2.gz AQYBNQFOINBHJT-INIZCTEOSA-N 1 3 345.447 0.327 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CCN1c1ccncc1 ZINC000883643359 590639562 /nfs/dbraw/zinc/63/95/62/590639562.db2.gz KECFTEOIKQYSDC-CYBMUJFWSA-N 1 3 333.436 0.314 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000883642789 590639602 /nfs/dbraw/zinc/63/96/02/590639602.db2.gz VDRXSJXPXLRMRA-RBSFLKMASA-N 1 3 345.447 0.172 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884886449 590642704 /nfs/dbraw/zinc/64/27/04/590642704.db2.gz LXKQDJNMWBNDJC-QGZVFWFLSA-N 1 3 346.475 0.617 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884889424 590643426 /nfs/dbraw/zinc/64/34/26/590643426.db2.gz GLBFKPQCAUFAJW-IRXDYDNUSA-N 1 3 346.475 0.663 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884893555 590644336 /nfs/dbraw/zinc/64/43/36/590644336.db2.gz ICFXXUFKHXTTPQ-SJORKVTESA-N 1 3 346.475 0.615 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883658073 590645640 /nfs/dbraw/zinc/64/56/40/590645640.db2.gz RWUHUSSIECSXQH-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000884923810 590650440 /nfs/dbraw/zinc/65/04/40/590650440.db2.gz VCYPFGBFMZESGV-QKPAOTATSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884966140 590656034 /nfs/dbraw/zinc/65/60/34/590656034.db2.gz DJSJATGPJCUZKF-KGLIPLIRSA-N 1 3 338.496 0.870 20 0 ECADHO CO[C@@H]1COCC[C@H]1N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000883770457 590663831 /nfs/dbraw/zinc/66/38/31/590663831.db2.gz REHRFNXRPSKXBG-ARFHVFGLSA-N 1 3 344.500 0.704 20 0 ECADHO CO[C@@H]1COCC[C@H]1N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000883770457 590663835 /nfs/dbraw/zinc/66/38/35/590663835.db2.gz REHRFNXRPSKXBG-ARFHVFGLSA-N 1 3 344.500 0.704 20 0 ECADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885012569 590669156 /nfs/dbraw/zinc/66/91/56/590669156.db2.gz DTHAZQNIJKMZRH-LVQVYYBASA-N 1 3 336.480 0.433 20 0 ECADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885153037 590689077 /nfs/dbraw/zinc/68/90/77/590689077.db2.gz DOUJTJAHSKFCDZ-MRXNPFEDSA-N 1 3 344.459 0.370 20 0 ECADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885153037 590689080 /nfs/dbraw/zinc/68/90/80/590689080.db2.gz DOUJTJAHSKFCDZ-MRXNPFEDSA-N 1 3 344.459 0.370 20 0 ECADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884230794 590783806 /nfs/dbraw/zinc/78/38/06/590783806.db2.gz ZXQKOQBTPMTJPZ-INIZCTEOSA-N 1 3 349.479 0.578 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884578212 590862749 /nfs/dbraw/zinc/86/27/49/590862749.db2.gz VYXPFQFLLCVKMK-HNNXBMFYSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000884577450 590862823 /nfs/dbraw/zinc/86/28/23/590862823.db2.gz FMHDKCDWRXVWOO-HYVNUMGLSA-N 1 3 344.459 0.888 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000884601286 590867777 /nfs/dbraw/zinc/86/77/77/590867777.db2.gz GYMMJEKGGKPIRN-GOSISDBHSA-N 1 3 336.480 0.579 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCSC1 ZINC000884612905 590871819 /nfs/dbraw/zinc/87/18/19/590871819.db2.gz XMCSXNYCZLYHDQ-XEZPLFJOSA-N 1 3 342.509 0.174 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCN1c1ccncc1 ZINC000884694849 590900053 /nfs/dbraw/zinc/90/00/53/590900053.db2.gz ZATHVERDPCSXFU-CABCVRRESA-N 1 3 345.447 0.377 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884704657 590902815 /nfs/dbraw/zinc/90/28/15/590902815.db2.gz ONEYHWXJLMMSOP-DZKIICNBSA-N 1 3 332.448 0.334 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884704657 590902818 /nfs/dbraw/zinc/90/28/18/590902818.db2.gz ONEYHWXJLMMSOP-DZKIICNBSA-N 1 3 332.448 0.334 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884712491 590905418 /nfs/dbraw/zinc/90/54/18/590905418.db2.gz RXQLDRNDDRBYLI-AWEZNQCLSA-N 1 3 347.463 0.752 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884775870 590919528 /nfs/dbraw/zinc/91/95/28/590919528.db2.gz KOVBVALNGGVTNK-JKSUJKDBSA-N 1 3 348.491 0.864 20 0 ECADHO O=C(C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000887081319 590939632 /nfs/dbraw/zinc/93/96/32/590939632.db2.gz QIECOGKKCFENFC-VQIMIIECSA-N 1 3 348.491 0.675 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cncc(Cl)c1 ZINC000890149758 591136823 /nfs/dbraw/zinc/13/68/23/591136823.db2.gz COJWGOMNMTWUTQ-UHFFFAOYSA-N 1 3 341.843 0.625 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623736 611370807 /nfs/dbraw/zinc/37/08/07/611370807.db2.gz PBKBXPBVNWGLAS-DMRZNYOFSA-N 1 3 336.480 0.371 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623736 611370809 /nfs/dbraw/zinc/37/08/09/611370809.db2.gz PBKBXPBVNWGLAS-DMRZNYOFSA-N 1 3 336.480 0.371 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2CC1)N(C)C ZINC000946643066 611383932 /nfs/dbraw/zinc/38/39/32/611383932.db2.gz ZSHKAIOVIHQVKG-IXDOHACOSA-N 1 3 348.495 0.789 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]2CC1)N(C)C ZINC000946643066 611383935 /nfs/dbraw/zinc/38/39/35/611383935.db2.gz ZSHKAIOVIHQVKG-IXDOHACOSA-N 1 3 348.495 0.789 20 0 ECADHO COC1CC[NH+](C(C)(C)CN2C(=O)N[C@@H](CN(C)C)C2=O)CC1 ZINC000925308738 611467894 /nfs/dbraw/zinc/46/78/94/611467894.db2.gz ZZZVEMRJCSYICG-ZDUSSCGKSA-N 1 3 326.441 0.358 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000946793376 611481274 /nfs/dbraw/zinc/48/12/74/611481274.db2.gz APIZTOUEFKZCAY-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000946793376 611481277 /nfs/dbraw/zinc/48/12/77/611481277.db2.gz APIZTOUEFKZCAY-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946784856 611476572 /nfs/dbraw/zinc/47/65/72/611476572.db2.gz XHJKLSNLPZOKAE-FZKCQIBNSA-N 1 3 338.496 0.761 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946784856 611476575 /nfs/dbraw/zinc/47/65/75/611476575.db2.gz XHJKLSNLPZOKAE-FZKCQIBNSA-N 1 3 338.496 0.761 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(CN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925569696 611487849 /nfs/dbraw/zinc/48/78/49/611487849.db2.gz RTLURZGDYNSFSK-GOSISDBHSA-N 1 3 346.475 0.590 20 0 ECADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCN(c3ccc4nncn4n3)C1)[NH2+]2 ZINC000925718850 611495965 /nfs/dbraw/zinc/49/59/65/611495965.db2.gz JQNAQPBVMIFYBT-GZBLMMOJSA-N 1 3 327.436 0.822 20 0 ECADHO CC(C)[NH+]1CCN(CCCN2CCCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000931230979 611523445 /nfs/dbraw/zinc/52/34/45/611523445.db2.gz OKKUIWLKWMRVOV-MRXNPFEDSA-N 1 3 346.541 0.546 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000926378868 611544007 /nfs/dbraw/zinc/54/40/07/611544007.db2.gz DGGMKRCHMXEUFB-QAPCUYQASA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC000947072155 611574846 /nfs/dbraw/zinc/57/48/46/611574846.db2.gz AJDKJYWVGUTRIP-HOCLYGCPSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC000947072155 611574848 /nfs/dbraw/zinc/57/48/48/611574848.db2.gz AJDKJYWVGUTRIP-HOCLYGCPSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCS1 ZINC000932664843 611651714 /nfs/dbraw/zinc/65/17/14/611651714.db2.gz 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ZINC000955062875 612876363 /nfs/dbraw/zinc/87/63/63/612876363.db2.gz ITGHSEOSXLUNNU-AWEZNQCLSA-N 1 3 347.463 0.743 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000954407131 612895528 /nfs/dbraw/zinc/89/55/28/612895528.db2.gz CHUFIKSAMSLNEX-UKRRQHHQSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000954407131 612895529 /nfs/dbraw/zinc/89/55/29/612895529.db2.gz CHUFIKSAMSLNEX-UKRRQHHQSA-N 1 3 336.480 0.480 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000954416834 612898213 /nfs/dbraw/zinc/89/82/13/612898213.db2.gz PPVWQXJBFWVYDO-LSDHHAIUSA-N 1 3 333.436 0.352 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000954416834 612898215 /nfs/dbraw/zinc/89/82/15/612898215.db2.gz PPVWQXJBFWVYDO-LSDHHAIUSA-N 1 3 333.436 0.352 20 0 ECADHO Cn1cc(CN2CC[C@H]3CN(c4cc(C[NH3+])ncn4)C[C@@H]3C2)cn1 ZINC001164773939 721106746 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336.480 0.531 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC000969675163 732040319 /nfs/dbraw/zinc/04/03/19/732040319.db2.gz QAPOVZXAWJXVFS-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(CCc2cnn(C)c2)C1 ZINC000969678739 732043291 /nfs/dbraw/zinc/04/32/91/732043291.db2.gz XUECNHYZAFMLPB-RDTXWAMCSA-N 1 3 345.491 0.741 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000969705365 732063900 /nfs/dbraw/zinc/06/39/00/732063900.db2.gz WTAJBHBHSRBVNT-JJRVBVJISA-N 1 3 346.475 0.662 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000969705365 732063901 /nfs/dbraw/zinc/06/39/01/732063901.db2.gz WTAJBHBHSRBVNT-JJRVBVJISA-N 1 3 346.475 0.662 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC000969968534 732569564 /nfs/dbraw/zinc/56/95/64/732569564.db2.gz RZPYWJNLVJTTIH-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)C1)N(C)C ZINC000969992286 732600065 /nfs/dbraw/zinc/60/00/65/732600065.db2.gz UWNJLZHPAZZCQL-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225742 733069353 /nfs/dbraw/zinc/06/93/53/733069353.db2.gz ZJYXRXSBTCKKIH-CABCVRRESA-N 1 3 327.469 0.354 20 0 ECADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]CCn3cncn3)CC2)C1 ZINC001167240141 733086371 /nfs/dbraw/zinc/08/63/71/733086371.db2.gz CMCOQSLWLXVKGW-UHFFFAOYSA-N 1 3 348.495 0.886 20 0 ECADHO COC[C@H](O)C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240541 733087386 /nfs/dbraw/zinc/08/73/86/733087386.db2.gz MNYNTXRPUVOTNX-OAHLLOKOSA-N 1 3 341.496 0.602 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(C)C)CC1)N(C)C ZINC001167261190 733105204 /nfs/dbraw/zinc/10/52/04/733105204.db2.gz YTHQLJWRJUHCFU-AWEZNQCLSA-N 1 3 326.485 0.727 20 0 ECADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1=O ZINC000970271155 733286326 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Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678693 733957591 /nfs/dbraw/zinc/95/75/91/733957591.db2.gz VLNUZGUCFMRSNB-INIZCTEOSA-N 1 3 337.468 0.387 20 0 ECADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971544003 734737138 /nfs/dbraw/zinc/73/71/38/734737138.db2.gz VOXINJDTTHPPHB-SJORKVTESA-N 1 3 331.464 0.758 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971640362 734864040 /nfs/dbraw/zinc/86/40/40/734864040.db2.gz DZMVXDRBENPMMN-HOTGVXAUSA-N 1 3 334.468 0.685 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971640362 734864043 /nfs/dbraw/zinc/86/40/43/734864043.db2.gz DZMVXDRBENPMMN-HOTGVXAUSA-N 1 3 334.468 0.685 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC000971687994 734948749 /nfs/dbraw/zinc/94/87/49/734948749.db2.gz SDCALHAHMZGEOI-KRWDZBQOSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC000971687994 734948750 /nfs/dbraw/zinc/94/87/50/734948750.db2.gz SDCALHAHMZGEOI-KRWDZBQOSA-N 1 3 348.495 0.912 20 0 ECADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000972236441 735823288 /nfs/dbraw/zinc/82/32/88/735823288.db2.gz DSHBBMGTENZSOW-HLLBOEOZSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000972236441 735823289 /nfs/dbraw/zinc/82/32/89/735823289.db2.gz DSHBBMGTENZSOW-HLLBOEOZSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 ZINC000972333171 735958094 /nfs/dbraw/zinc/95/80/94/735958094.db2.gz UHPHIOMNUOZANS-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 ZINC000972333171 735958098 /nfs/dbraw/zinc/95/80/98/735958098.db2.gz UHPHIOMNUOZANS-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098571105 736156613 /nfs/dbraw/zinc/15/66/13/736156613.db2.gz NDIZKVXPRJEAFB-UHFFFAOYSA-N 1 3 349.475 0.639 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCF ZINC001104433484 736191536 /nfs/dbraw/zinc/19/15/36/736191536.db2.gz FYJFLDCXZFUMQZ-MYPHYYIGSA-N 1 3 339.455 0.893 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001023125449 736520621 /nfs/dbraw/zinc/52/06/21/736520621.db2.gz QZTPQHWDHIGAAS-NMWPEEMBSA-N 1 3 334.468 0.908 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001023125449 736520626 /nfs/dbraw/zinc/52/06/26/736520626.db2.gz QZTPQHWDHIGAAS-NMWPEEMBSA-N 1 3 334.468 0.908 20 0 ECADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001023130468 736525934 /nfs/dbraw/zinc/52/59/34/736525934.db2.gz PNSBYNWDUFBUTO-LZWOXQAQSA-N 1 3 332.448 0.863 20 0 ECADHO Cc1nc(C)n(CCN2CCC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023746039 737287676 /nfs/dbraw/zinc/28/76/76/737287676.db2.gz LTPDYDOPHCXMOH-DLBZAZTESA-N 1 3 348.495 0.675 20 0 ECADHO Cc1nc(C)n(CCN2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001023746039 737287679 /nfs/dbraw/zinc/28/76/79/737287679.db2.gz LTPDYDOPHCXMOH-DLBZAZTESA-N 1 3 348.495 0.675 20 0 ECADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001087256819 737410023 /nfs/dbraw/zinc/41/00/23/737410023.db2.gz MQUNDLHRRANESA-KBPBESRZSA-N 1 3 349.435 0.160 20 0 ECADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001087256819 737410025 /nfs/dbraw/zinc/41/00/25/737410025.db2.gz MQUNDLHRRANESA-KBPBESRZSA-N 1 3 349.435 0.160 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001023890367 737464999 /nfs/dbraw/zinc/46/49/99/737464999.db2.gz YGTBZXFSMSRDLF-GDBMZVCRSA-N 1 3 334.468 0.720 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC000972743023 737584922 /nfs/dbraw/zinc/58/49/22/737584922.db2.gz MZLXVDCFNAKYPT-BBRMVZONSA-N 1 3 345.447 0.573 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC000972743023 737584924 /nfs/dbraw/zinc/58/49/24/737584924.db2.gz MZLXVDCFNAKYPT-BBRMVZONSA-N 1 3 345.447 0.573 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001024016676 737619066 /nfs/dbraw/zinc/61/90/66/737619066.db2.gz MGZNTNHPQBJTFW-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cnnc1CNC[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001024018211 737623162 /nfs/dbraw/zinc/62/31/62/737623162.db2.gz LRPGIJHUVVNTHW-BBRMVZONSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067467336 737781302 /nfs/dbraw/zinc/78/13/02/737781302.db2.gz XFCXIBUIFDCYSG-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067467336 737781306 /nfs/dbraw/zinc/78/13/06/737781306.db2.gz XFCXIBUIFDCYSG-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024180434 737801755 /nfs/dbraw/zinc/80/17/55/737801755.db2.gz XLIYCEJYESYQPA-UKRRQHHQSA-N 1 3 333.436 0.401 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001024236344 737843591 /nfs/dbraw/zinc/84/35/91/737843591.db2.gz JWVQNPGJDQSWCO-GJZGRUSLSA-N 1 3 334.468 0.783 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001024236344 737843595 /nfs/dbraw/zinc/84/35/95/737843595.db2.gz JWVQNPGJDQSWCO-GJZGRUSLSA-N 1 3 334.468 0.783 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000973466225 739335369 /nfs/dbraw/zinc/33/53/69/739335369.db2.gz KSGFBEMWVWPVGF-FZKCQIBNSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000973466225 739335372 /nfs/dbraw/zinc/33/53/72/739335372.db2.gz KSGFBEMWVWPVGF-FZKCQIBNSA-N 1 3 336.480 0.433 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973466919 739337174 /nfs/dbraw/zinc/33/71/74/739337174.db2.gz ONAIAELXTOLIEI-IHRRRGAJSA-N 1 3 333.436 0.366 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000973466919 739337178 /nfs/dbraw/zinc/33/71/78/739337178.db2.gz ONAIAELXTOLIEI-IHRRRGAJSA-N 1 3 333.436 0.366 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000973467538 739339334 /nfs/dbraw/zinc/33/93/34/739339334.db2.gz QRKPXCKITURMDH-RBSFLKMASA-N 1 3 334.464 0.330 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676307 739457263 /nfs/dbraw/zinc/45/72/63/739457263.db2.gz DQNPHALOSPGNQN-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682245 739473233 /nfs/dbraw/zinc/47/32/33/739473233.db2.gz IWRUSJCNDLOQLS-HUUCEWRRSA-N 1 3 340.512 0.785 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104732034 739574262 /nfs/dbraw/zinc/57/42/62/739574262.db2.gz KATWHHSJFWFBHZ-ZIAGYGMSSA-N 1 3 331.424 0.318 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001025813360 739985811 /nfs/dbraw/zinc/98/58/11/739985811.db2.gz GCRDXNSNURTECH-JJTUDDRGSA-N 1 3 346.475 0.328 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001025813360 739985813 /nfs/dbraw/zinc/98/58/13/739985813.db2.gz GCRDXNSNURTECH-JJTUDDRGSA-N 1 3 346.475 0.328 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001026149108 740424191 /nfs/dbraw/zinc/42/41/91/740424191.db2.gz PBRNJUJQMCAZJL-NPCUJANDSA-N 1 3 332.452 0.197 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC)C1 ZINC001104937770 740974893 /nfs/dbraw/zinc/97/48/93/740974893.db2.gz GVQDELMVUAQHTR-RBSFLKMASA-N 1 3 326.485 0.537 20 0 ECADHO O=C(C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21)N1CCCC1 ZINC001026365673 741064054 /nfs/dbraw/zinc/06/40/54/741064054.db2.gz ZTVZZKJWOVZRAA-NUEKZKHPSA-N 1 3 345.447 0.401 20 0 ECADHO CN(C)Cc1ccccc1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026610933 741608251 /nfs/dbraw/zinc/60/82/51/741608251.db2.gz YMHQSKPDHUDRSO-UHFFFAOYSA-N 1 3 332.448 0.864 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)C1 ZINC000982150775 751658084 /nfs/dbraw/zinc/65/80/84/751658084.db2.gz UXDXQUSTBACLBV-OAHLLOKOSA-N 1 3 332.452 0.154 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)C1 ZINC000982150775 751658091 /nfs/dbraw/zinc/65/80/91/751658091.db2.gz UXDXQUSTBACLBV-OAHLLOKOSA-N 1 3 332.452 0.154 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001078238105 782539367 /nfs/dbraw/zinc/53/93/67/782539367.db2.gz CIILXYTZXQBZBN-SOUVJXGZSA-N 1 3 326.485 0.535 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001078238105 782539376 /nfs/dbraw/zinc/53/93/76/782539376.db2.gz CIILXYTZXQBZBN-SOUVJXGZSA-N 1 3 326.485 0.535 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001026728155 741719714 /nfs/dbraw/zinc/71/97/14/741719714.db2.gz ZOQDBZIPSRZJLA-WBVHZDCISA-N 1 3 344.459 0.818 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001026735017 741733498 /nfs/dbraw/zinc/73/34/98/741733498.db2.gz XZSDQWBMPSQFLZ-WMLDXEAASA-N 1 3 331.464 0.862 20 0 ECADHO CO[C@H](C)CN1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982165487 751669086 /nfs/dbraw/zinc/66/90/86/751669086.db2.gz ISOGFZPJACTWNB-OAHLLOKOSA-N 1 3 337.468 0.628 20 0 ECADHO C[C@@H](O)CN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974591703 741926755 /nfs/dbraw/zinc/92/67/55/741926755.db2.gz DVJDEEFCHJDESY-UKRRQHHQSA-N 1 3 337.468 0.266 20 0 ECADHO C[C@H](NC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1nncn1C ZINC001027037661 742365148 /nfs/dbraw/zinc/36/51/48/742365148.db2.gz XLZBQEGEKOGWDS-UONOGXRCSA-N 1 3 334.468 0.656 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001027066693 742418304 /nfs/dbraw/zinc/41/83/04/742418304.db2.gz XHRDLOAMLQJZEW-HNNXBMFYSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC001027066693 742418322 /nfs/dbraw/zinc/41/83/22/742418322.db2.gz XHRDLOAMLQJZEW-HNNXBMFYSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001020509558 751731533 /nfs/dbraw/zinc/73/15/33/751731533.db2.gz YABGTBGDXJKWMS-AJNGGQMLSA-N 1 3 334.468 0.765 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001020509558 751731538 /nfs/dbraw/zinc/73/15/38/751731538.db2.gz YABGTBGDXJKWMS-AJNGGQMLSA-N 1 3 334.468 0.765 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996822995 742919130 /nfs/dbraw/zinc/91/91/30/742919130.db2.gz RTDKQFVLQZCKEH-RXHUYCNISA-N 1 3 349.475 0.467 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(Cc3cccc(C(N)=O)c3)C2)C1 ZINC001028984967 743083940 /nfs/dbraw/zinc/08/39/40/743083940.db2.gz GTPXRMZZRUFYRG-RDJZCZTQSA-N 1 3 344.459 0.675 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(Cc3cccc(C(N)=O)c3)C2)C1 ZINC001028984967 743083943 /nfs/dbraw/zinc/08/39/43/743083943.db2.gz GTPXRMZZRUFYRG-RDJZCZTQSA-N 1 3 344.459 0.675 20 0 ECADHO CN1CC[C@H]([NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1=O ZINC000997002291 743114042 /nfs/dbraw/zinc/11/40/42/743114042.db2.gz VGGXRGCGNUTTQL-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1c(Cl)cnc1CNC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027214918 743185096 /nfs/dbraw/zinc/18/50/96/743185096.db2.gz ACAGGUDDZDDMED-CHWSQXEVSA-N 1 3 339.871 0.963 20 0 ECADHO Cn1c(Cl)cnc1CNC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027214918 743185105 /nfs/dbraw/zinc/18/51/05/743185105.db2.gz ACAGGUDDZDDMED-CHWSQXEVSA-N 1 3 339.871 0.963 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001020586211 751844915 /nfs/dbraw/zinc/84/49/15/751844915.db2.gz IDVQKKPSJHAHOM-VGWMRTNUSA-N 1 3 336.480 0.624 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC000997611467 743708327 /nfs/dbraw/zinc/70/83/27/743708327.db2.gz FUZLDQISWDQNAO-CVEARBPZSA-N 1 3 346.479 0.688 20 0 ECADHO C[C@H](NC(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CCO)CC1 ZINC000997692402 743756543 /nfs/dbraw/zinc/75/65/43/743756543.db2.gz QYQABVBKUUHHFR-DFFOAJLQSA-N 1 3 337.464 0.059 20 0 ECADHO Cn1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)cc1=O ZINC001020591416 751858388 /nfs/dbraw/zinc/85/83/88/751858388.db2.gz NFDOXQZHRGVSJM-WKILWMFISA-N 1 3 346.475 0.854 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1)C1CC1 ZINC000997829787 743841603 /nfs/dbraw/zinc/84/16/03/743841603.db2.gz CBLBXSALTYCAQT-CVEARBPZSA-N 1 3 336.480 0.433 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC000998121016 743988960 /nfs/dbraw/zinc/98/89/60/743988960.db2.gz UPWLIMIISULDGP-OAHLLOKOSA-N 1 3 343.435 0.559 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976546748 744070206 /nfs/dbraw/zinc/07/02/06/744070206.db2.gz OIMVLCNWEWDOHG-ZOFXXKQRSA-N 1 3 348.491 0.386 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000976546748 744070210 /nfs/dbraw/zinc/07/02/10/744070210.db2.gz OIMVLCNWEWDOHG-ZOFXXKQRSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000998556518 744226263 /nfs/dbraw/zinc/22/62/63/744226263.db2.gz NATGHBDRNOMGGM-JCYILVPMSA-N 1 3 344.459 0.959 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000998780253 744333355 /nfs/dbraw/zinc/33/33/55/744333355.db2.gz LGYQZMYJFWKSID-VMBOVVBDSA-N 1 3 346.479 0.719 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)CCC1 ZINC000999346844 744641577 /nfs/dbraw/zinc/64/15/77/744641577.db2.gz GQFDXHBSVYUTNK-MRXNPFEDSA-N 1 3 346.475 0.950 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC000999346915 744641749 /nfs/dbraw/zinc/64/17/49/744641749.db2.gz HKFNMGUWGMQBEX-INIZCTEOSA-N 1 3 348.495 0.960 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)n1 ZINC000999409207 744681943 /nfs/dbraw/zinc/68/19/43/744681943.db2.gz PKDKUFPHPOQEDL-NVPAJSRCSA-N 1 3 348.495 0.816 20 0 ECADHO CN1CC[C@H](N[C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC000999481146 744717091 /nfs/dbraw/zinc/71/70/91/744717091.db2.gz BRNLAMXBCVWYRB-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001100377753 751943730 /nfs/dbraw/zinc/94/37/30/751943730.db2.gz KJHSEHZENXFTBT-JXQTWKCFSA-N 1 3 330.448 0.287 20 0 ECADHO COc1ccc(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000999682672 744837190 /nfs/dbraw/zinc/83/71/90/744837190.db2.gz RUUWCVCOCQMGOI-JEYLPNPQSA-N 1 3 347.463 0.906 20 0 ECADHO COc1ccc(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000999682672 744837194 /nfs/dbraw/zinc/83/71/94/744837194.db2.gz RUUWCVCOCQMGOI-JEYLPNPQSA-N 1 3 347.463 0.906 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000999877183 744986285 /nfs/dbraw/zinc/98/62/85/744986285.db2.gz MHUGPRHCUPPELZ-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000999879115 744989623 /nfs/dbraw/zinc/98/96/23/744989623.db2.gz UTZBQNOQALCHRV-KDOFPFPSSA-N 1 3 348.491 0.530 20 0 ECADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000999986648 745141188 /nfs/dbraw/zinc/14/11/88/745141188.db2.gz UMMKKWAMTJUOBV-GOEBONIOSA-N 1 3 336.480 0.849 20 0 ECADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999986648 745141191 /nfs/dbraw/zinc/14/11/91/745141191.db2.gz UMMKKWAMTJUOBV-GOEBONIOSA-N 1 3 336.480 0.849 20 0 ECADHO CCn1nncc1CN[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001000107855 745270092 /nfs/dbraw/zinc/27/00/92/745270092.db2.gz XGRUJJLYFKLTRL-GOEBONIOSA-N 1 3 336.484 0.965 20 0 ECADHO C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)C(=O)N(C)C ZINC001112536026 745303883 /nfs/dbraw/zinc/30/38/83/745303883.db2.gz MTGJAJGWEGZPKH-DEYYWGMASA-N 1 3 347.463 0.647 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001000189194 745325860 /nfs/dbraw/zinc/32/58/60/745325860.db2.gz DBEGYUUXLGHRTL-HUUCEWRRSA-N 1 3 334.468 0.863 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001000189194 745325865 /nfs/dbraw/zinc/32/58/65/745325865.db2.gz DBEGYUUXLGHRTL-HUUCEWRRSA-N 1 3 334.468 0.863 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)CC1(C)C ZINC000977649304 745336571 /nfs/dbraw/zinc/33/65/71/745336571.db2.gz BPRPIVHVZKTUHO-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)CC1(C)C ZINC000977649304 745336575 /nfs/dbraw/zinc/33/65/75/745336575.db2.gz BPRPIVHVZKTUHO-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)CC1(C)C ZINC000977649304 745336578 /nfs/dbraw/zinc/33/65/78/745336578.db2.gz BPRPIVHVZKTUHO-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC2(C3CCN([C@@H]4CCCNC4=O)CC3)CC2)C1 ZINC001000332708 745433198 /nfs/dbraw/zinc/43/31/98/745433198.db2.gz JRCZDRVBOWRFHL-GOEBONIOSA-N 1 3 348.491 0.578 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC2(C3CCN([C@@H]4CCCNC4=O)CC3)CC2)C1 ZINC001000332708 745433199 /nfs/dbraw/zinc/43/31/99/745433199.db2.gz JRCZDRVBOWRFHL-GOEBONIOSA-N 1 3 348.491 0.578 20 0 ECADHO CC[C@H](C)CNCc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360788 752012001 /nfs/dbraw/zinc/01/20/01/752012001.db2.gz INPLKDJXKUHPIJ-AWEZNQCLSA-N 1 3 346.479 0.893 20 0 ECADHO CN(C[C@H]1CCN1C(=O)CN(C)C1CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000978068151 745853048 /nfs/dbraw/zinc/85/30/48/745853048.db2.gz LXMRWHCBGVLRDB-MRXNPFEDSA-N 1 3 348.491 0.626 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCN1CCNC1=O ZINC001087799111 746358050 /nfs/dbraw/zinc/35/80/50/746358050.db2.gz DZVBXOOPGCYHJG-LSDHHAIUSA-N 1 3 349.479 0.077 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001001424683 746362974 /nfs/dbraw/zinc/36/29/74/746362974.db2.gz KKDFFUBZSDXBPP-XHSDSOJGSA-N 1 3 338.496 0.809 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001001424683 746362979 /nfs/dbraw/zinc/36/29/79/746362979.db2.gz KKDFFUBZSDXBPP-XHSDSOJGSA-N 1 3 338.496 0.809 20 0 ECADHO O=C(NC[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000978567193 746430530 /nfs/dbraw/zinc/43/05/30/746430530.db2.gz YNICMLAITOFLML-UEIJKTBSSA-N 1 3 337.439 0.503 20 0 ECADHO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000978567193 746430539 /nfs/dbraw/zinc/43/05/39/746430539.db2.gz YNICMLAITOFLML-UEIJKTBSSA-N 1 3 337.439 0.503 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CCC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001027653393 746585162 /nfs/dbraw/zinc/58/51/62/746585162.db2.gz ZETYYFRWGRJQLH-XJKSGUPXSA-N 1 3 345.447 0.573 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CCC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001027653393 746585165 /nfs/dbraw/zinc/58/51/65/746585165.db2.gz ZETYYFRWGRJQLH-XJKSGUPXSA-N 1 3 345.447 0.573 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001001892118 746790144 /nfs/dbraw/zinc/79/01/44/746790144.db2.gz WRNXRUYXAAKQPA-HOTGVXAUSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001001892118 746790148 /nfs/dbraw/zinc/79/01/48/746790148.db2.gz WRNXRUYXAAKQPA-HOTGVXAUSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000984710373 746868890 /nfs/dbraw/zinc/86/88/90/746868890.db2.gz SFWSVVWXGNHOMA-FVQBIDKESA-N 1 3 347.463 0.742 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000984710373 746868900 /nfs/dbraw/zinc/86/89/00/746868900.db2.gz SFWSVVWXGNHOMA-FVQBIDKESA-N 1 3 347.463 0.742 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001002081917 746958099 /nfs/dbraw/zinc/95/80/99/746958099.db2.gz AQWMZCVNZMZUSP-PBHICJAKSA-N 1 3 348.491 0.245 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCn2cncn2)CC1 ZINC001002159381 747039681 /nfs/dbraw/zinc/03/96/81/747039681.db2.gz RTWFIAMDINCJPP-QGZVFWFLSA-N 1 3 348.495 0.981 20 0 ECADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046553 747141242 /nfs/dbraw/zinc/14/12/42/747141242.db2.gz ZRTPBRNZBNVURL-ASLPWWTFSA-N 1 3 349.475 0.276 20 0 ECADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046553 747141244 /nfs/dbraw/zinc/14/12/44/747141244.db2.gz ZRTPBRNZBNVURL-ASLPWWTFSA-N 1 3 349.475 0.276 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1)N(C)C ZINC001088095260 747364593 /nfs/dbraw/zinc/36/45/93/747364593.db2.gz CSDXWCKHMZTENF-IXDOHACOSA-N 1 3 348.495 0.645 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1)N(C)C ZINC001088095260 747364596 /nfs/dbraw/zinc/36/45/96/747364596.db2.gz CSDXWCKHMZTENF-IXDOHACOSA-N 1 3 348.495 0.645 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001002460016 747379199 /nfs/dbraw/zinc/37/91/99/747379199.db2.gz AXMHCNOSIWTQSJ-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001002460016 747379204 /nfs/dbraw/zinc/37/92/04/747379204.db2.gz AXMHCNOSIWTQSJ-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO Cc1cc(CNCCCNC(=O)c2cnn(CC[NH+](C)C)c2)ncn1 ZINC001168052163 747410857 /nfs/dbraw/zinc/41/08/57/747410857.db2.gz NXXZRBXGPFRZLC-UHFFFAOYSA-N 1 3 345.451 0.453 20 0 ECADHO Cc1ncoc1CNCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168052749 747442755 /nfs/dbraw/zinc/44/27/55/747442755.db2.gz VRGBUGKJCUADSS-UHFFFAOYSA-N 1 3 334.424 0.651 20 0 ECADHO C[C@@H](NCc1cnn(C)c1)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC000979372400 747698900 /nfs/dbraw/zinc/69/89/00/747698900.db2.gz LZNSSIMPJPUAKB-PBHICJAKSA-N 1 3 349.479 0.467 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001029754783 748260766 /nfs/dbraw/zinc/26/07/66/748260766.db2.gz CXQSGBNTVRDBJM-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001029754783 748260769 /nfs/dbraw/zinc/26/07/69/748260769.db2.gz CXQSGBNTVRDBJM-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000985493125 748281387 /nfs/dbraw/zinc/28/13/87/748281387.db2.gz RHMIMNKBEFOASJ-HZPDHXFCSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000985493125 748281392 /nfs/dbraw/zinc/28/13/92/748281392.db2.gz RHMIMNKBEFOASJ-HZPDHXFCSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001003301710 748397798 /nfs/dbraw/zinc/39/77/98/748397798.db2.gz NNPOHOBOVSOOAC-OAHLLOKOSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001003330762 748432979 /nfs/dbraw/zinc/43/29/79/748432979.db2.gz CNBYOFYTMXEQBX-RXHUYCNISA-N 1 3 349.475 0.467 20 0 ECADHO CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003334796 748438557 /nfs/dbraw/zinc/43/85/57/748438557.db2.gz XDZXVUNEWONURN-DFFOAJLQSA-N 1 3 337.464 0.465 20 0 ECADHO CN(C)C1(C(=O)N2CCCCC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001088326033 748728702 /nfs/dbraw/zinc/72/87/02/748728702.db2.gz FBCTVQFNEFOIIL-HUUCEWRRSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)C1(C(=O)N2CCCCC[C@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001088326032 748728871 /nfs/dbraw/zinc/72/88/71/748728871.db2.gz FBCTVQFNEFOIIL-GJZGRUSLSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC001003630038 748743394 /nfs/dbraw/zinc/74/33/94/748743394.db2.gz IGGCHNUGVKHXAK-WMLDXEAASA-N 1 3 346.475 0.664 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC001003630038 748743398 /nfs/dbraw/zinc/74/33/98/748743398.db2.gz IGGCHNUGVKHXAK-WMLDXEAASA-N 1 3 346.475 0.664 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001003631085 748744476 /nfs/dbraw/zinc/74/44/76/748744476.db2.gz RCXPFACPSDUOAJ-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001003631085 748744478 /nfs/dbraw/zinc/74/44/78/748744478.db2.gz RCXPFACPSDUOAJ-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001003635378 748748295 /nfs/dbraw/zinc/74/82/95/748748295.db2.gz PFBLJWUAFIYXMX-WMLDXEAASA-N 1 3 333.480 0.741 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001003635378 748748297 /nfs/dbraw/zinc/74/82/97/748748297.db2.gz PFBLJWUAFIYXMX-WMLDXEAASA-N 1 3 333.480 0.741 20 0 ECADHO C[N@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@@H]1CCc2ncnn21 ZINC001029852645 748832536 /nfs/dbraw/zinc/83/25/36/748832536.db2.gz GRCYUNOVGRRIPQ-HIFRSBDPSA-N 1 3 343.435 0.512 20 0 ECADHO C[N@@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@@H]1CCc2ncnn21 ZINC001029852645 748832541 /nfs/dbraw/zinc/83/25/41/748832541.db2.gz GRCYUNOVGRRIPQ-HIFRSBDPSA-N 1 3 343.435 0.512 20 0 ECADHO NC(=O)CN1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980087940 748969284 /nfs/dbraw/zinc/96/92/84/748969284.db2.gz SUDSFROAHVPUSM-KKUMJFAQSA-N 1 3 334.464 0.317 20 0 ECADHO Cc1nc(CN[C@@H]2CCCCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001088424679 749162595 /nfs/dbraw/zinc/16/25/95/749162595.db2.gz CUUGMXPUQGOGNZ-HUUCEWRRSA-N 1 3 334.468 0.926 20 0 ECADHO Cc1nc(CN[C@@H]2CCCCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001088424679 749162598 /nfs/dbraw/zinc/16/25/98/749162598.db2.gz CUUGMXPUQGOGNZ-HUUCEWRRSA-N 1 3 334.468 0.926 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059674948 749344669 /nfs/dbraw/zinc/34/46/69/749344669.db2.gz XNMGGYVTXZGNDC-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001059674948 749344675 /nfs/dbraw/zinc/34/46/75/749344675.db2.gz XNMGGYVTXZGNDC-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168137096 749514575 /nfs/dbraw/zinc/51/45/75/749514575.db2.gz LXIUDDSJAWEDOO-CQSZACIVSA-N 1 3 334.468 0.626 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168137096 749514580 /nfs/dbraw/zinc/51/45/80/749514580.db2.gz LXIUDDSJAWEDOO-CQSZACIVSA-N 1 3 334.468 0.626 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1)N(C)C ZINC001004465132 749533855 /nfs/dbraw/zinc/53/38/55/749533855.db2.gz PUHFHOWFVBFDLT-WBVHZDCISA-N 1 3 338.496 0.761 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1)N(C)C ZINC001004465132 749533860 /nfs/dbraw/zinc/53/38/60/749533860.db2.gz PUHFHOWFVBFDLT-WBVHZDCISA-N 1 3 338.496 0.761 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC(N)=O)CC2)C1 ZINC001004546107 749607588 /nfs/dbraw/zinc/60/75/88/749607588.db2.gz HAILCGVRZBYZPT-ZBFHGGJFSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC(N)=O)CC2)C1 ZINC001004546107 749607595 /nfs/dbraw/zinc/60/75/95/749607595.db2.gz HAILCGVRZBYZPT-ZBFHGGJFSA-N 1 3 336.480 0.517 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)N(C)CC)CC1 ZINC001167815420 749849914 /nfs/dbraw/zinc/84/99/14/749849914.db2.gz UNSIEVXIKJDVJC-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001004995036 750117240 /nfs/dbraw/zinc/11/72/40/750117240.db2.gz YSPUNEKBBJWYCN-CJNGLKHVSA-N 1 3 347.463 0.647 20 0 ECADHO CCCN(C)CC(=O)NCC1CC([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001100901696 750172332 /nfs/dbraw/zinc/17/23/32/750172332.db2.gz JRZKRHKJXKTRQO-WLYUNCDWSA-N 1 3 345.509 0.247 20 0 ECADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N[C@H](C)CC)C1 ZINC001100901723 750179348 /nfs/dbraw/zinc/17/93/48/750179348.db2.gz KNMPQAQZQNJLLJ-WLYUNCDWSA-N 1 3 326.485 0.727 20 0 ECADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)CN1CCCC1 ZINC000980800545 750181823 /nfs/dbraw/zinc/18/18/23/750181823.db2.gz QWNYUYDFKORGAL-WBVHZDCISA-N 1 3 346.475 0.808 20 0 ECADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@](CNCC(N)=O)(c2ccccc2)C1 ZINC001105436915 750206014 /nfs/dbraw/zinc/20/60/14/750206014.db2.gz NOGGTLQDLRSBOA-RHNCMZPLSA-N 1 3 332.448 0.230 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)C1 ZINC000986764135 750340550 /nfs/dbraw/zinc/34/05/50/750340550.db2.gz CTPYEXNMEIRXTI-KFWWJZLASA-N 1 3 345.447 0.211 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)C1 ZINC000986764135 750340557 /nfs/dbraw/zinc/34/05/57/750340557.db2.gz CTPYEXNMEIRXTI-KFWWJZLASA-N 1 3 345.447 0.211 20 0 ECADHO C[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005742708 750581168 /nfs/dbraw/zinc/58/11/68/750581168.db2.gz SXHOYJKMBAZZHN-KDWRMLKXSA-N 1 3 337.464 0.153 20 0 ECADHO Cn1cc(CN[C@@H]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000981461764 750717611 /nfs/dbraw/zinc/71/76/11/750717611.db2.gz KXDAWOFIIJLMRS-KGLIPLIRSA-N 1 3 332.452 0.428 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001075887299 750726429 /nfs/dbraw/zinc/72/64/29/750726429.db2.gz GNSPMDMXNULLOO-BHYGNILZSA-N 1 3 348.491 0.624 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001075887299 750726433 /nfs/dbraw/zinc/72/64/33/750726433.db2.gz GNSPMDMXNULLOO-BHYGNILZSA-N 1 3 348.491 0.624 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001059799967 750819718 /nfs/dbraw/zinc/81/97/18/750819718.db2.gz HRZSWABGEBQFPT-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CC2(C1)CCCN(CCn1cncn1)C2)C1CC1 ZINC000981812655 751133524 /nfs/dbraw/zinc/13/35/24/751133524.db2.gz SALCAJKYINNSQY-INIZCTEOSA-N 1 3 346.479 0.543 20 0 ECADHO C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901405 751258219 /nfs/dbraw/zinc/25/82/19/751258219.db2.gz NILPQXLKUYOBMC-XZZQLLPFSA-N 1 3 349.475 0.155 20 0 ECADHO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901405 751258227 /nfs/dbraw/zinc/25/82/27/751258227.db2.gz NILPQXLKUYOBMC-XZZQLLPFSA-N 1 3 349.475 0.155 20 0 ECADHO C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901393 751258411 /nfs/dbraw/zinc/25/84/11/751258411.db2.gz NILPQXLKUYOBMC-HITAIPBASA-N 1 3 349.475 0.155 20 0 ECADHO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901393 751258415 /nfs/dbraw/zinc/25/84/15/751258415.db2.gz NILPQXLKUYOBMC-HITAIPBASA-N 1 3 349.475 0.155 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1=O ZINC001020932559 752357921 /nfs/dbraw/zinc/35/79/21/752357921.db2.gz NEWAFPJJHADWHS-JOCQHMNTSA-N 1 3 347.415 0.481 20 0 ECADHO CN1CCN(c2cccc(-c3noc([C@H]4C[NH2+]C[C@@H]4N)n3)c2)CC1 ZINC001211755246 752527939 /nfs/dbraw/zinc/52/79/39/752527939.db2.gz CSYJFUGSGONBRO-GJZGRUSLSA-N 1 3 328.420 0.503 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000982546190 752857913 /nfs/dbraw/zinc/85/79/13/752857913.db2.gz LMNOTOHJOMZQSB-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000938101488 753275206 /nfs/dbraw/zinc/27/52/06/753275206.db2.gz TVQPEBRZZKSBHR-GOEBONIOSA-N 1 3 347.463 0.932 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000938101488 753275210 /nfs/dbraw/zinc/27/52/10/753275210.db2.gz TVQPEBRZZKSBHR-GOEBONIOSA-N 1 3 347.463 0.932 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000982778284 753533368 /nfs/dbraw/zinc/53/33/68/753533368.db2.gz JTSAHXFGCNLTHS-OWCLPIDISA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000982778284 753533370 /nfs/dbraw/zinc/53/33/70/753533370.db2.gz JTSAHXFGCNLTHS-OWCLPIDISA-N 1 3 336.480 0.387 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C[C@H]3CCc4ncnn43)C2)CC1 ZINC001008407085 753710533 /nfs/dbraw/zinc/71/05/33/753710533.db2.gz PXWBHHLTDQIKRR-HZPDHXFCSA-N 1 3 346.479 0.688 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)Cc1c[nH]cn1 ZINC001014100675 762248203 /nfs/dbraw/zinc/24/82/03/762248203.db2.gz OOMGOLBMOJYSLA-OCCSQVGLSA-N 1 3 331.420 0.154 20 0 ECADHO C[C@@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989521925 754076454 /nfs/dbraw/zinc/07/64/54/754076454.db2.gz LWQMQMJYPPPADG-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C[C@@H](NCc2cnn(C)c2)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989618718 754194382 /nfs/dbraw/zinc/19/43/82/754194382.db2.gz NEDUSTLISGHWSV-GDBMZVCRSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656955 754327998 /nfs/dbraw/zinc/32/79/98/754327998.db2.gz SCSYETOVUIONAF-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cc(CN2CC[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001028659142 754376556 /nfs/dbraw/zinc/37/65/56/754376556.db2.gz PGHUGAPWANCHGN-HNNXBMFYSA-N 1 3 331.464 0.987 20 0 ECADHO CN(CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001009076942 754514409 /nfs/dbraw/zinc/51/44/09/754514409.db2.gz QSJGNLPNEVCSTG-DZUCGIPZSA-N 1 3 348.491 0.243 20 0 ECADHO CN(CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001009076942 754514410 /nfs/dbraw/zinc/51/44/10/754514410.db2.gz QSJGNLPNEVCSTG-DZUCGIPZSA-N 1 3 348.491 0.243 20 0 ECADHO COc1nccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000990275928 754930368 /nfs/dbraw/zinc/93/03/68/754930368.db2.gz FAJBSEAMVLPRKU-HNNXBMFYSA-N 1 3 333.436 0.660 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC000990278953 754934535 /nfs/dbraw/zinc/93/45/35/754934535.db2.gz SUEWEJVJJWAQBO-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000990279007 754935217 /nfs/dbraw/zinc/93/52/17/754935217.db2.gz UBFCHFFPBKGFII-QGZVFWFLSA-N 1 3 344.459 0.960 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001028846017 755293415 /nfs/dbraw/zinc/29/34/15/755293415.db2.gz WARZIVVTYKMLAI-SJORKVTESA-N 1 3 348.495 0.979 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028846017 755293420 /nfs/dbraw/zinc/29/34/20/755293420.db2.gz WARZIVVTYKMLAI-SJORKVTESA-N 1 3 348.495 0.979 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)CC[N@@H+]1C ZINC001076177392 756176629 /nfs/dbraw/zinc/17/66/29/756176629.db2.gz ZOPQHIBILHHTKW-LUKYLMHMSA-N 1 3 346.479 0.541 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)CC[N@H+]1C ZINC001076177392 756176634 /nfs/dbraw/zinc/17/66/34/756176634.db2.gz ZOPQHIBILHHTKW-LUKYLMHMSA-N 1 3 346.479 0.541 20 0 ECADHO Cc1noc(CCCN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076567807 756666782 /nfs/dbraw/zinc/66/67/82/756666782.db2.gz JFOHEYTVBQMNAD-HRCADAONSA-N 1 3 347.463 0.795 20 0 ECADHO Cc1noc(CCCN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076567807 756666785 /nfs/dbraw/zinc/66/67/85/756666785.db2.gz JFOHEYTVBQMNAD-HRCADAONSA-N 1 3 347.463 0.795 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001076627249 756747792 /nfs/dbraw/zinc/74/77/92/756747792.db2.gz CKTZQBAZHJABOY-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[NH+](C)CCc1ccccc1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996100503 756951588 /nfs/dbraw/zinc/95/15/88/756951588.db2.gz PABRTROIGAXOEF-INIZCTEOSA-N 1 3 346.475 0.716 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2C1)C1CC1 ZINC001048864053 757219190 /nfs/dbraw/zinc/21/91/90/757219190.db2.gz RKXXDXOFAXRVJD-SOLBZPMBSA-N 1 3 345.491 0.693 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2C1)C1CC1 ZINC001048864053 757219192 /nfs/dbraw/zinc/21/91/92/757219192.db2.gz RKXXDXOFAXRVJD-SOLBZPMBSA-N 1 3 345.491 0.693 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2C1)N(C)C ZINC001048876402 757261364 /nfs/dbraw/zinc/26/13/64/757261364.db2.gz WHYAAEMHGBRQOB-JZXOWHBKSA-N 1 3 347.507 0.939 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2C1)N(C)C ZINC001048876402 757261377 /nfs/dbraw/zinc/26/13/77/757261377.db2.gz WHYAAEMHGBRQOB-JZXOWHBKSA-N 1 3 347.507 0.939 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001011251631 757290323 /nfs/dbraw/zinc/29/03/23/757290323.db2.gz QOAZEWNUDQYPHK-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001011251631 757290332 /nfs/dbraw/zinc/29/03/32/757290332.db2.gz QOAZEWNUDQYPHK-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1)N(C)C ZINC001011256152 757305079 /nfs/dbraw/zinc/30/50/79/757305079.db2.gz CXHABEVCLUCHKX-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1)N(C)C ZINC001011256152 757305091 /nfs/dbraw/zinc/30/50/91/757305091.db2.gz CXHABEVCLUCHKX-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001011264361 757332090 /nfs/dbraw/zinc/33/20/90/757332090.db2.gz BFGAPBQEVRBOIB-HOTGVXAUSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001011264776 757333685 /nfs/dbraw/zinc/33/36/85/757333685.db2.gz RBFHPMDVBBSGDA-YOEHRIQHSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001011264776 757333697 /nfs/dbraw/zinc/33/36/97/757333697.db2.gz RBFHPMDVBBSGDA-YOEHRIQHSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282568 757403373 /nfs/dbraw/zinc/40/33/73/757403373.db2.gz XRHWEBGBCRDNOZ-GDBMZVCRSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282568 757403380 /nfs/dbraw/zinc/40/33/80/757403380.db2.gz XRHWEBGBCRDNOZ-GDBMZVCRSA-N 1 3 336.480 0.339 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)n1 ZINC000996353665 757453077 /nfs/dbraw/zinc/45/30/77/757453077.db2.gz BXAOWRBIVNIKLN-HNNXBMFYSA-N 1 3 345.451 0.687 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)N(C)C ZINC001011317379 757499743 /nfs/dbraw/zinc/49/97/43/757499743.db2.gz KYOMNAATYBXCJN-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1)N(C)C ZINC001011317379 757499750 /nfs/dbraw/zinc/49/97/50/757499750.db2.gz KYOMNAATYBXCJN-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H](C1CC1)N(C)C)NC(=O)CCC[NH+](C)C ZINC001076956120 757742427 /nfs/dbraw/zinc/74/24/27/757742427.db2.gz FXTYPVWLOOTNHJ-XJKSGUPXSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@H]3C2)C1 ZINC001049058618 757814677 /nfs/dbraw/zinc/81/46/77/757814677.db2.gz GWAOKZKAOBPDDE-RYQLBKOJSA-N 1 3 345.491 0.695 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCc4cnn(C)c4)C[C@@H]3C2)C1 ZINC001049058618 757814682 /nfs/dbraw/zinc/81/46/82/757814682.db2.gz GWAOKZKAOBPDDE-RYQLBKOJSA-N 1 3 345.491 0.695 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@H]3C2)C1=O ZINC001049059682 757821430 /nfs/dbraw/zinc/82/14/30/757821430.db2.gz ZTXSBJLAGTYNSN-NXOAAHMSSA-N 1 3 348.491 0.339 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@H]3C2)C1=O ZINC001049059682 757821440 /nfs/dbraw/zinc/82/14/40/757821440.db2.gz ZTXSBJLAGTYNSN-NXOAAHMSSA-N 1 3 348.491 0.339 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049059248 757823150 /nfs/dbraw/zinc/82/31/50/757823150.db2.gz OOMCQINFVGOFFW-MWDXBVQZSA-N 1 3 348.491 0.339 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049059248 757823162 /nfs/dbraw/zinc/82/31/62/757823162.db2.gz OOMCQINFVGOFFW-MWDXBVQZSA-N 1 3 348.491 0.339 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001021702385 757823340 /nfs/dbraw/zinc/82/33/40/757823340.db2.gz NDCNZZJIGTWLGX-ZMSDIMECSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001021702385 757823347 /nfs/dbraw/zinc/82/33/47/757823347.db2.gz NDCNZZJIGTWLGX-ZMSDIMECSA-N 1 3 348.491 0.482 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@@H]3C[C@@]34CCOC4)C[C@@H]2C1 ZINC001049083292 757915189 /nfs/dbraw/zinc/91/51/89/757915189.db2.gz XIWUPMYFYKMYQA-JTOWHCCKSA-N 1 3 330.432 0.769 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@@H]3C[C@@]34CCOC4)C[C@@H]2C1 ZINC001049083292 757915191 /nfs/dbraw/zinc/91/51/91/757915191.db2.gz XIWUPMYFYKMYQA-JTOWHCCKSA-N 1 3 330.432 0.769 20 0 ECADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N1CCC1 ZINC000996518696 757927949 /nfs/dbraw/zinc/92/79/49/757927949.db2.gz GHWDDZSJRPPPPM-CQSZACIVSA-N 1 3 334.464 0.141 20 0 ECADHO O=C(CN1CCCC1)NCc1cn(C2C[NH+](CC3CCC3)C2)nn1 ZINC001107236340 758026902 /nfs/dbraw/zinc/02/69/02/758026902.db2.gz WEJQVUIXLXOTMU-UHFFFAOYSA-N 1 3 332.452 0.647 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+]C[C@H]3CCCCO3)C2)CCC1 ZINC001051652606 762594852 /nfs/dbraw/zinc/59/48/52/762594852.db2.gz SXNQJROTSOVWDD-CVEARBPZSA-N 1 3 339.480 0.857 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001051654835 762603728 /nfs/dbraw/zinc/60/37/28/762603728.db2.gz VJUGONFQZCVTNU-HOTGVXAUSA-N 1 3 335.452 0.077 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)N(C)C ZINC001022019840 758169598 /nfs/dbraw/zinc/16/95/98/758169598.db2.gz XVQUTQKIBCORIV-ARFHVFGLSA-N 1 3 348.491 0.482 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001077151263 758354846 /nfs/dbraw/zinc/35/48/46/758354846.db2.gz LACHKQZTQTUVMX-CWRNSKLLSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060319649 762628582 /nfs/dbraw/zinc/62/85/82/762628582.db2.gz BHADBOCTQMQJDJ-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001060319877 762633270 /nfs/dbraw/zinc/63/32/70/762633270.db2.gz GVQQMQFBNCBRLD-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO Cc1nc(C)c(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC001127780119 758634391 /nfs/dbraw/zinc/63/43/91/758634391.db2.gz VZXUTLMHWDOAQB-UONOGXRCSA-N 1 3 338.477 0.829 20 0 ECADHO Cc1nc(C)c(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC001127780119 758634395 /nfs/dbraw/zinc/63/43/95/758634395.db2.gz VZXUTLMHWDOAQB-UONOGXRCSA-N 1 3 338.477 0.829 20 0 ECADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)c1nnnn1C ZINC001022370403 758636708 /nfs/dbraw/zinc/63/67/08/758636708.db2.gz KAQJRBKLVIATCO-RTXFEEFZSA-N 1 3 340.391 0.469 20 0 ECADHO C[C@H](N[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)c1nnnn1C ZINC001022370404 758636868 /nfs/dbraw/zinc/63/68/68/758636868.db2.gz KAQJRBKLVIATCO-WCFLWFBJSA-N 1 3 340.391 0.469 20 0 ECADHO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)cn1 ZINC001022451695 758742007 /nfs/dbraw/zinc/74/20/07/758742007.db2.gz FHLXYIRRDPQFSR-LYEIEPFESA-N 1 3 345.447 0.020 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022452279 758743529 /nfs/dbraw/zinc/74/35/29/758743529.db2.gz LHEFNCLOWWUPPH-ITBUKVITSA-N 1 3 349.475 0.656 20 0 ECADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001022710275 759022545 /nfs/dbraw/zinc/02/25/45/759022545.db2.gz BTVSCKNPLRFEOR-IPJQOSJUSA-N 1 3 342.459 0.700 20 0 ECADHO Cn1nccc1CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001022717451 759033838 /nfs/dbraw/zinc/03/38/38/759033838.db2.gz XCHRZSBDSHIOEH-GASCZTMLSA-N 1 3 333.480 0.931 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)C1 ZINC001022717051 759033923 /nfs/dbraw/zinc/03/39/23/759033923.db2.gz NUWZPUPBHCOEHJ-ZNMIVQPWSA-N 1 3 346.479 0.734 20 0 ECADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001107034367 759383728 /nfs/dbraw/zinc/38/37/28/759383728.db2.gz XGGWSQPSKGBJJY-UKRRQHHQSA-N 1 3 332.448 0.531 20 0 ECADHO CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039150 759484749 /nfs/dbraw/zinc/48/47/49/759484749.db2.gz LPUWULWLJJDNRK-OWCLPIDISA-N 1 3 340.512 0.925 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047960549 759750359 /nfs/dbraw/zinc/75/03/59/759750359.db2.gz UCCZSOJIJFOQLC-HIFRSBDPSA-N 1 3 334.468 0.484 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001050130394 759770262 /nfs/dbraw/zinc/77/02/62/759770262.db2.gz WTAQOLXXHVFCAM-ARFHVFGLSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047989222 759780052 /nfs/dbraw/zinc/78/00/52/759780052.db2.gz PGIFTEIVHWGGGD-GOEBONIOSA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001050144877 759797279 /nfs/dbraw/zinc/79/72/79/759797279.db2.gz QVUJOYRABJNGIR-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001050144877 759797283 /nfs/dbraw/zinc/79/72/83/759797283.db2.gz QVUJOYRABJNGIR-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001077582294 759867588 /nfs/dbraw/zinc/86/75/88/759867588.db2.gz DRGJWFNMFZLKII-MRVWCRGKSA-N 1 3 327.400 0.864 20 0 ECADHO C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001077582294 759867596 /nfs/dbraw/zinc/86/75/96/759867596.db2.gz DRGJWFNMFZLKII-MRVWCRGKSA-N 1 3 327.400 0.864 20 0 ECADHO C[C@@H](NCc1ccn(C)n1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048041446 759871452 /nfs/dbraw/zinc/87/14/52/759871452.db2.gz XVVKJSVLAQSFPU-CABCVRRESA-N 1 3 331.464 0.843 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001050202738 759932312 /nfs/dbraw/zinc/93/23/12/759932312.db2.gz SAQIRFYLEPZGND-ARFHVFGLSA-N 1 3 332.452 0.153 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001050202738 759932319 /nfs/dbraw/zinc/93/23/19/759932319.db2.gz SAQIRFYLEPZGND-ARFHVFGLSA-N 1 3 332.452 0.153 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001048276690 760203953 /nfs/dbraw/zinc/20/39/53/760203953.db2.gz IDGXDDGGXARHQM-ZIAGYGMSSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000911163806 760224336 /nfs/dbraw/zinc/22/43/36/760224336.db2.gz ZJTXFWQUWYZTNA-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)CC2 ZINC001050462576 760307657 /nfs/dbraw/zinc/30/76/57/760307657.db2.gz WUQFTMXLYSGPPJ-OAHLLOKOSA-N 1 3 349.479 0.030 20 0 ECADHO CN(C)C(=O)CN1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050545325 760465502 /nfs/dbraw/zinc/46/55/02/760465502.db2.gz AOHJGGSIQCRACM-INIZCTEOSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CNCc1cn(C)nn1 ZINC001048478445 760592030 /nfs/dbraw/zinc/59/20/30/760592030.db2.gz GMDFKVLRDKYMKF-JKSUJKDBSA-N 1 3 348.495 0.875 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001050662728 760638327 /nfs/dbraw/zinc/63/83/27/760638327.db2.gz MWGWRONVAUGXOS-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001050662728 760638328 /nfs/dbraw/zinc/63/83/28/760638328.db2.gz MWGWRONVAUGXOS-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050663109 760638379 /nfs/dbraw/zinc/63/83/79/760638379.db2.gz QRLPXIHXFUXPJC-LSDHHAIUSA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050663109 760638381 /nfs/dbraw/zinc/63/83/81/760638381.db2.gz QRLPXIHXFUXPJC-LSDHHAIUSA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)N(C)C ZINC001050668899 760649249 /nfs/dbraw/zinc/64/92/49/760649249.db2.gz IJHUAHHHNRQBTP-GJZGRUSLSA-N 1 3 338.496 0.728 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048526347 760664046 /nfs/dbraw/zinc/66/40/46/760664046.db2.gz TXGUXNZSJMQRNB-SLBVQIDZSA-N 1 3 334.464 0.173 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 ZINC001127067441 760709780 /nfs/dbraw/zinc/70/97/80/760709780.db2.gz XDRSCNFIOKPMGU-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 ZINC001127067441 760709789 /nfs/dbraw/zinc/70/97/89/760709789.db2.gz XDRSCNFIOKPMGU-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050754493 760782256 /nfs/dbraw/zinc/78/22/56/760782256.db2.gz YAKHCTYRRIYOKI-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CCN1CC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050754493 760782260 /nfs/dbraw/zinc/78/22/60/760782260.db2.gz YAKHCTYRRIYOKI-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1)C1CC1 ZINC000995907951 760798184 /nfs/dbraw/zinc/79/81/84/760798184.db2.gz XQIAAWPPDHNMPP-CABCVRRESA-N 1 3 334.468 0.445 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000991418540 760824844 /nfs/dbraw/zinc/82/48/44/760824844.db2.gz IJJGQGAQCHLISM-MRXNPFEDSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000991421794 760842728 /nfs/dbraw/zinc/84/27/28/760842728.db2.gz QXKNNPJUGISSGP-CVEARBPZSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000991421794 760842742 /nfs/dbraw/zinc/84/27/42/760842742.db2.gz QXKNNPJUGISSGP-CVEARBPZSA-N 1 3 336.480 0.671 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)CC3CC[NH+](C)CC3)C2)CCC1 ZINC000991443221 760969100 /nfs/dbraw/zinc/96/91/00/760969100.db2.gz VEGLEWMUNWOEHO-UHFFFAOYSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)N1CCCCC1 ZINC001127081822 761008233 /nfs/dbraw/zinc/00/82/33/761008233.db2.gz COJDNQOBOJVMKS-JKSUJKDBSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)N1CCCCC1 ZINC001127081822 761008242 /nfs/dbraw/zinc/00/82/42/761008242.db2.gz COJDNQOBOJVMKS-JKSUJKDBSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106249698 768015951 /nfs/dbraw/zinc/01/59/51/768015951.db2.gz OBOAAXBANSZVLT-BPLDGKMQSA-N 1 3 345.509 0.055 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050948796 761197483 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ZINC001047383463 764177713 /nfs/dbraw/zinc/17/77/13/764177713.db2.gz CHNUAUQTUUXIGI-QZWWFDLISA-N 1 3 339.480 0.257 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)n1 ZINC001054737366 768211763 /nfs/dbraw/zinc/21/17/63/768211763.db2.gz OUXYHBXBOONBKK-XJKSGUPXSA-N 1 3 348.495 0.816 20 0 ECADHO C[C@H](F)CCN1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553393 764676003 /nfs/dbraw/zinc/67/60/03/764676003.db2.gz CZRLWSRRGCTRRO-BPUTZDHNSA-N 1 3 329.460 0.970 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001047570863 764726564 /nfs/dbraw/zinc/72/65/64/764726564.db2.gz QBMYIBQPQFZKAU-JYJNAYRXSA-N 1 3 338.496 0.774 20 0 ECADHO COCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991931753 764731248 /nfs/dbraw/zinc/73/12/48/764731248.db2.gz KINPFIXYISLVNP-GHPIQZFPSA-N 1 3 349.475 0.609 20 0 ECADHO COCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991931753 764731256 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COCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001046064508 766843734 /nfs/dbraw/zinc/84/37/34/766843734.db2.gz OROBCXOLFZVPAN-SJORKVTESA-N 1 3 338.496 0.336 20 0 ECADHO COCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001046064508 766843745 /nfs/dbraw/zinc/84/37/45/766843745.db2.gz OROBCXOLFZVPAN-SJORKVTESA-N 1 3 338.496 0.336 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(C[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016808364 766963772 /nfs/dbraw/zinc/96/37/72/766963772.db2.gz RFZGCKPPINQXPO-UKRRQHHQSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CCn1cncn1)CC2 ZINC001016830401 767005965 /nfs/dbraw/zinc/00/59/65/767005965.db2.gz RYCDZJWIHPTRAI-CVEARBPZSA-N 1 3 346.479 0.733 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106910497 767148241 /nfs/dbraw/zinc/14/82/41/767148241.db2.gz AMWGPMDQFWEWIB-GDBMZVCRSA-N 1 3 338.496 0.539 20 0 ECADHO O=C(NCC1C[NH+](CC[C@H]2CCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001031856692 767446303 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345.447 0.211 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)C1 ZINC000992933523 767809616 /nfs/dbraw/zinc/80/96/16/767809616.db2.gz CQVRWMLCNKCFBW-LBTNJELSSA-N 1 3 345.447 0.211 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1cn(CC2CC2)nn1 ZINC001106622600 768522372 /nfs/dbraw/zinc/52/23/72/768522372.db2.gz GZNZDFSESGQUKF-GDBMZVCRSA-N 1 3 348.495 0.824 20 0 ECADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106796918 769009743 /nfs/dbraw/zinc/00/97/43/769009743.db2.gz DRGVPSIDSGPWQD-HZPDHXFCSA-N 1 3 338.496 0.539 20 0 ECADHO CC1CCN(C(=O)C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001018628547 769679457 /nfs/dbraw/zinc/67/94/57/769679457.db2.gz NELZRIHOWZYGBO-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000993828721 769696507 /nfs/dbraw/zinc/69/65/07/769696507.db2.gz IBWZTHOPUURYQL-OKILXGFUSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000993828721 769696514 /nfs/dbraw/zinc/69/65/14/769696514.db2.gz IBWZTHOPUURYQL-OKILXGFUSA-N 1 3 336.480 0.671 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC001018963204 770412366 /nfs/dbraw/zinc/41/23/66/770412366.db2.gz DDRNVJIBIYSPQJ-KGLIPLIRSA-N 1 3 343.493 0.096 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1=O ZINC001018967962 770426902 /nfs/dbraw/zinc/42/69/02/770426902.db2.gz NNDNHASIYSAVEN-SUMWQHHRSA-N 1 3 349.431 0.679 20 0 ECADHO CN1CCC[C@H](N[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001019030233 770602771 /nfs/dbraw/zinc/60/27/71/770602771.db2.gz DWYIKGWCHGMZJG-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1)N(C)C ZINC001019032334 770609331 /nfs/dbraw/zinc/60/93/31/770609331.db2.gz QJINHMPVXKDIMB-NUEKZKHPSA-N 1 3 336.480 0.671 20 0 ECADHO CN(CC(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1)C1CCC1 ZINC001019038657 770629280 /nfs/dbraw/zinc/62/92/80/770629280.db2.gz XRPDXRJCVWMRNU-HNNXBMFYSA-N 1 3 348.491 0.483 20 0 ECADHO CN(CC(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1)C1CCC1 ZINC001019038657 770629284 /nfs/dbraw/zinc/62/92/84/770629284.db2.gz XRPDXRJCVWMRNU-HNNXBMFYSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCCCC2)C1 ZINC001019381054 771227691 /nfs/dbraw/zinc/22/76/91/771227691.db2.gz WWPPIWIGKPEJAW-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCCCC2)C1 ZINC001019381054 771227695 /nfs/dbraw/zinc/22/76/95/771227695.db2.gz WWPPIWIGKPEJAW-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)n1 ZINC001019380695 771228032 /nfs/dbraw/zinc/22/80/32/771228032.db2.gz JNWRREZZMIFZAQ-CJNGLKHVSA-N 1 3 334.468 0.570 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001019381060 771228375 /nfs/dbraw/zinc/22/83/75/771228375.db2.gz WXYQHDOTQQTMPG-ZFWWWQNUSA-N 1 3 334.468 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ZINC001056572084 771392706 /nfs/dbraw/zinc/39/27/06/771392706.db2.gz FFWHUXCRZABEHW-HZPDHXFCSA-N 1 3 347.463 0.886 20 0 ECADHO C[C@@H](C(N)=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540265 771423087 /nfs/dbraw/zinc/42/30/87/771423087.db2.gz SZGYOJKKZKTWJO-UONOGXRCSA-N 1 3 336.480 0.563 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001019776116 771784815 /nfs/dbraw/zinc/78/48/15/771784815.db2.gz XHXVKDOGLHPXPM-CABCVRRESA-N 1 3 343.493 0.098 20 0 ECADHO CN(C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001019810068 771824281 /nfs/dbraw/zinc/82/42/81/771824281.db2.gz HWWJVJSLBAQCLH-GDBMZVCRSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001019810068 771824284 /nfs/dbraw/zinc/82/42/84/771824284.db2.gz HWWJVJSLBAQCLH-GDBMZVCRSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001019810716 771826084 /nfs/dbraw/zinc/82/60/84/771826084.db2.gz GHTVFQNHHBJSFS-JKSUJKDBSA-N 1 3 330.432 0.441 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019820666 771838854 /nfs/dbraw/zinc/83/88/54/771838854.db2.gz SXAXJNOFCLWLER-LSDHHAIUSA-N 1 3 337.468 0.077 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020162304 772231481 /nfs/dbraw/zinc/23/14/81/772231481.db2.gz AJYZUACJWRNDFE-JYJNAYRXSA-N 1 3 329.448 0.864 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001020162705 772232539 /nfs/dbraw/zinc/23/25/39/772232539.db2.gz SDOGQRBQIWTDMP-BFYDXBDKSA-N 1 3 329.448 0.864 20 0 ECADHO Cc1ccncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001020179048 772250052 /nfs/dbraw/zinc/25/00/52/772250052.db2.gz MEYXUNPPTRYJFD-XLAORIBOSA-N 1 3 344.459 0.990 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001020288933 772404060 /nfs/dbraw/zinc/40/40/60/772404060.db2.gz NMHVPRDAFYZCHN-RZLSGREXSA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001020288933 772404062 /nfs/dbraw/zinc/40/40/62/772404062.db2.gz NMHVPRDAFYZCHN-RZLSGREXSA-N 1 3 332.452 0.569 20 0 ECADHO COc1coc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CO[C@@H](C)C3)C2)cc1=O ZINC001020316323 772437707 /nfs/dbraw/zinc/43/77/07/772437707.db2.gz KXWMSCNZDVJQGN-CYDGBPFRSA-N 1 3 336.388 0.810 20 0 ECADHO CCn1cc(CN[C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)nn1 ZINC001020352976 772484300 /nfs/dbraw/zinc/48/43/00/772484300.db2.gz JOUJWSAYYWSBHQ-HDJSIYSDSA-N 1 3 339.403 0.996 20 0 ECADHO C[C@@H](N[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)c1nnnn1C ZINC001020354907 772486811 /nfs/dbraw/zinc/48/68/11/772486811.db2.gz KAQJRBKLVIATCO-RAIGVLPGSA-N 1 3 340.391 0.469 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001078472742 783017689 /nfs/dbraw/zinc/01/76/89/783017689.db2.gz GLFMWZUGGIQNHK-SOUVJXGZSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001078472742 783017695 /nfs/dbraw/zinc/01/76/95/783017695.db2.gz GLFMWZUGGIQNHK-SOUVJXGZSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1)[NH+](C)C ZINC001078472745 783017928 /nfs/dbraw/zinc/01/79/28/783017928.db2.gz GLWOOWKYNSNDDM-HLLBOEOZSA-N 1 3 340.512 0.925 20 0 ECADHO Cn1nccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020405932 772549595 /nfs/dbraw/zinc/54/95/95/772549595.db2.gz GAMITZCNWCEEOL-LRJYCPHFSA-N 1 3 345.447 0.020 20 0 ECADHO CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)C23CCC[NH+]2CCC3)C1=O ZINC001045106001 774987522 /nfs/dbraw/zinc/98/75/22/774987522.db2.gz QRDWHZWJPRJZSE-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CC[C@H](NC[C@@H]2CCCN2C(=O)C23CCC[NH+]2CCC3)C1=O ZINC001045105571 774988027 /nfs/dbraw/zinc/98/80/27/774988027.db2.gz CYKUWHHMSUOYGG-GJZGRUSLSA-N 1 3 334.464 0.426 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001079804442 776903844 /nfs/dbraw/zinc/90/38/44/776903844.db2.gz FPZHJWSTKKOUCI-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079807001 776910293 /nfs/dbraw/zinc/91/02/93/776910293.db2.gz GHSATGSZMZZJCF-QGZVFWFLSA-N 1 3 348.491 0.483 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001079930115 777102234 /nfs/dbraw/zinc/10/22/34/777102234.db2.gz BKOOTUVIXGEJOT-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079930115 777102237 /nfs/dbraw/zinc/10/22/37/777102237.db2.gz BKOOTUVIXGEJOT-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080140636 777450507 /nfs/dbraw/zinc/45/05/07/777450507.db2.gz XZPXJZMTICRHBZ-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080140636 777450513 /nfs/dbraw/zinc/45/05/13/777450513.db2.gz XZPXJZMTICRHBZ-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001080149023 777468129 /nfs/dbraw/zinc/46/81/29/777468129.db2.gz OEPCEQMTNHQDDF-BMFZPTHFSA-N 1 3 338.496 0.726 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001080149023 777468132 /nfs/dbraw/zinc/46/81/32/777468132.db2.gz OEPCEQMTNHQDDF-BMFZPTHFSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001080380059 777770703 /nfs/dbraw/zinc/77/07/03/777770703.db2.gz FCIHIWCIVQXOEZ-UHFFFAOYSA-N 1 3 333.436 0.353 20 0 ECADHO CCN(C(=O)C[N@@H+]1CCC[C@H]1C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080556072 778015629 /nfs/dbraw/zinc/01/56/29/778015629.db2.gz AHTIXCKRPLWUFT-ZBFHGGJFSA-N 1 3 336.480 0.624 20 0 ECADHO CCN(C(=O)C[N@H+]1CCC[C@H]1C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080556072 778015635 /nfs/dbraw/zinc/01/56/35/778015635.db2.gz AHTIXCKRPLWUFT-ZBFHGGJFSA-N 1 3 336.480 0.624 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001080559231 778034159 /nfs/dbraw/zinc/03/41/59/778034159.db2.gz APYTVSGVIWBSNG-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080559231 778034167 /nfs/dbraw/zinc/03/41/67/778034167.db2.gz APYTVSGVIWBSNG-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCCO2)cn1 ZINC001078497856 780016953 /nfs/dbraw/zinc/01/69/53/780016953.db2.gz AFETVZLXTDMHMU-INIZCTEOSA-N 1 3 347.463 0.223 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCCO2)cn1 ZINC001078508874 780054107 /nfs/dbraw/zinc/05/41/07/780054107.db2.gz ZYYULVKYAHRTGG-IRXDYDNUSA-N 1 3 347.463 0.444 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCCO2)cn1 ZINC001078508874 780054115 /nfs/dbraw/zinc/05/41/15/780054115.db2.gz ZYYULVKYAHRTGG-IRXDYDNUSA-N 1 3 347.463 0.444 20 0 ECADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001070191770 783625145 /nfs/dbraw/zinc/62/51/45/783625145.db2.gz RBPDQOMKMJJYFZ-PMPSAXMXSA-N 1 3 334.468 0.901 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070208917 783659734 /nfs/dbraw/zinc/65/97/34/783659734.db2.gz DTQZEHBUZPRENR-IKGGRYGDSA-N 1 3 346.479 0.760 20 0 ECADHO CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1NCc1ncnn1C ZINC001037957316 783735233 /nfs/dbraw/zinc/73/52/33/783735233.db2.gz GPNALJUGMWRUBO-LSDHHAIUSA-N 1 3 346.479 0.628 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001070332633 783841464 /nfs/dbraw/zinc/84/14/64/783841464.db2.gz NXVLRMUFZIKXNC-PMPSAXMXSA-N 1 3 334.468 0.902 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001070917284 784111051 /nfs/dbraw/zinc/11/10/51/784111051.db2.gz SKGAJEHFLHTPGK-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001070873669 784778543 /nfs/dbraw/zinc/77/85/43/784778543.db2.gz SROVXDMUVNAKDN-WBVHZDCISA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001072475096 786237278 /nfs/dbraw/zinc/23/72/78/786237278.db2.gz DRRAUDURIIXBIQ-CJNGLKHVSA-N 1 3 349.479 0.956 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001072475096 786237283 /nfs/dbraw/zinc/23/72/83/786237283.db2.gz DRRAUDURIIXBIQ-CJNGLKHVSA-N 1 3 349.479 0.956 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605165 786758522 /nfs/dbraw/zinc/75/85/22/786758522.db2.gz CLFSDUZKLGAURU-HZPDHXFCSA-N 1 3 325.453 0.182 20 0 ECADHO C[C@@H](O)CN1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677595 786949229 /nfs/dbraw/zinc/94/92/29/786949229.db2.gz LTRXPVZASLVUNS-CABCVRRESA-N 1 3 325.453 0.203 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CCN1CCCC1=O)C2)C1CCC1 ZINC001072815739 788874186 /nfs/dbraw/zinc/87/41/86/788874186.db2.gz FKMABBFMADXULO-UHFFFAOYSA-N 1 3 348.491 0.627 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCN1CCCC1=O)C2)C1CCC1 ZINC001072815739 788874194 /nfs/dbraw/zinc/87/41/94/788874194.db2.gz FKMABBFMADXULO-UHFFFAOYSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001075136620 788963449 /nfs/dbraw/zinc/96/34/49/788963449.db2.gz FLNRZMINTQXNBQ-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001075136906 788964372 /nfs/dbraw/zinc/96/43/72/788964372.db2.gz JHCHWWBCBGQTFZ-ZIAGYGMSSA-N 1 3 347.463 0.790 20 0 ECADHO Cc1nnc(CNC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)[nH]1 ZINC001075356245 789264595 /nfs/dbraw/zinc/26/45/95/789264595.db2.gz WPSCRKMCUOWFGS-UKRRQHHQSA-N 1 3 346.479 0.783 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001073016101 789277416 /nfs/dbraw/zinc/27/74/16/789277416.db2.gz JBCJOUHKEUJZJL-AWEZNQCLSA-N 1 3 345.447 0.403 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001073016101 789277422 /nfs/dbraw/zinc/27/74/22/789277422.db2.gz JBCJOUHKEUJZJL-AWEZNQCLSA-N 1 3 345.447 0.403 20 0 ECADHO O=C(CN1CCCC1)N1CCC([C@@H]2OCCC[C@H]2[NH2+]CCO)CC1 ZINC001075417497 789346466 /nfs/dbraw/zinc/34/64/66/789346466.db2.gz JNYRVEPZWFFARY-AEFFLSMTSA-N 1 3 339.480 0.450 20 0 ECADHO O=C(N1CC2(C1)CCN(CCN1CCCC1=O)C2)C12CC[NH+](CC1)C2 ZINC001073129090 789492452 /nfs/dbraw/zinc/49/24/52/789492452.db2.gz HDWDKNFCVUYRQE-UHFFFAOYSA-N 1 3 346.475 0.239 20 0 ECADHO Cc1nc(C)n(CCN2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)n1 ZINC001073425703 789822727 /nfs/dbraw/zinc/82/27/27/789822727.db2.gz FNKJSRULQMNOGP-MRXNPFEDSA-N 1 3 346.479 0.381 20 0 ECADHO Cc1nc(C)n(CCN2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)n1 ZINC001073425703 789822734 /nfs/dbraw/zinc/82/27/34/789822734.db2.gz FNKJSRULQMNOGP-MRXNPFEDSA-N 1 3 346.479 0.381 20 0 ECADHO C[NH+](C)CCC(=O)N1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001069779228 790027876 /nfs/dbraw/zinc/02/78/76/790027876.db2.gz ARGACJBOXIGDPH-SFHVURJKSA-N 1 3 347.463 0.745 20 0 ECADHO CN(CCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)[C@H]1CCCN1C ZINC001067008982 792564090 /nfs/dbraw/zinc/56/40/90/792564090.db2.gz FHSKYPVGUWVHNF-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCNCc1ccc2c(c1)OCCO2)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267468647 837481067 /nfs/dbraw/zinc/48/10/67/837481067.db2.gz ANIIWGKQQJGDHB-HNNXBMFYSA-N 1 3 333.432 0.958 20 0 ECADHO CN(CCNCc1ccc2c(c1)OCCO2)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267468647 837481070 /nfs/dbraw/zinc/48/10/70/837481070.db2.gz ANIIWGKQQJGDHB-HNNXBMFYSA-N 1 3 333.432 0.958 20 0 ECADHO CN(CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(=O)Cc1c[nH]cn1 ZINC001408633833 837598543 /nfs/dbraw/zinc/59/85/43/837598543.db2.gz YPORGCPFPHPBBQ-UKRRQHHQSA-N 1 3 335.452 0.647 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001266725640 836203977 /nfs/dbraw/zinc/20/39/77/836203977.db2.gz OBXQEMDPCSBNOG-OKILXGFUSA-N 1 3 341.500 0.663 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1(C)C ZINC000442619536 282119889 /nfs/dbraw/zinc/11/98/89/282119889.db2.gz IHVBDTQWJVRKDU-HNNXBMFYSA-N 1 3 325.501 0.606 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000354646074 299084580 /nfs/dbraw/zinc/08/45/80/299084580.db2.gz IMRXOYDOGYVRMS-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000354672935 299092687 /nfs/dbraw/zinc/09/26/87/299092687.db2.gz FAMVHJBWOOITQX-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000427281881 210188089 /nfs/dbraw/zinc/18/80/89/210188089.db2.gz RAXGWOMXADTIEV-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCCO1 ZINC000424016863 209866965 /nfs/dbraw/zinc/86/69/65/209866965.db2.gz FUSBJLUJQGDLET-GOSISDBHSA-N 1 3 346.475 0.775 20 0 ECADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000355003336 299181695 /nfs/dbraw/zinc/18/16/95/299181695.db2.gz NSYWJRXVOHRUFV-DLBZAZTESA-N 1 3 348.491 0.674 20 0 ECADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000355003336 299181698 /nfs/dbraw/zinc/18/16/98/299181698.db2.gz NSYWJRXVOHRUFV-DLBZAZTESA-N 1 3 348.491 0.674 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC000423409909 209742544 /nfs/dbraw/zinc/74/25/44/209742544.db2.gz CLCTXZDIHDSHKY-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423413619 283231960 /nfs/dbraw/zinc/23/19/60/283231960.db2.gz LBHCDNPSPIBENX-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420439575 209365871 /nfs/dbraw/zinc/36/58/71/209365871.db2.gz BFNRUVUDIQYDES-KBPBESRZSA-N 1 3 343.497 0.467 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000420464490 209371875 /nfs/dbraw/zinc/37/18/75/209371875.db2.gz URPSFCFBUQFSCF-CYBMUJFWSA-N 1 3 329.470 0.077 20 0 ECADHO NS(=O)(=O)c1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420319789 209351870 /nfs/dbraw/zinc/35/18/70/209351870.db2.gz PLVVDYSNJAJYHB-AWEZNQCLSA-N 1 3 338.477 0.456 20 0 ECADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000420303724 209350949 /nfs/dbraw/zinc/35/09/49/209350949.db2.gz DCBJZRZFRNCAAG-OAHLLOKOSA-N 1 3 332.452 0.186 20 0 ECADHO NC1(CNC(=O)C(=O)N2CC(F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420197122 209337806 /nfs/dbraw/zinc/33/78/06/209337806.db2.gz BDLVADWLCGBTMG-UHFFFAOYSA-N 1 3 348.422 0.276 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420000867 209273255 /nfs/dbraw/zinc/27/32/55/209273255.db2.gz OXSUDZNWGORVFU-AWEZNQCLSA-N 1 3 336.436 0.428 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419959993 209261526 /nfs/dbraw/zinc/26/15/26/209261526.db2.gz DSOKFWXBIIBRET-ZBFHGGJFSA-N 1 3 338.496 0.858 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419959993 209261528 /nfs/dbraw/zinc/26/15/28/209261528.db2.gz DSOKFWXBIIBRET-ZBFHGGJFSA-N 1 3 338.496 0.858 20 0 ECADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCC[NH3+] ZINC000419841914 209222125 /nfs/dbraw/zinc/22/21/25/209222125.db2.gz VBFWOZSEAABDMY-UHFFFAOYSA-N 1 3 326.828 0.305 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419778436 209203276 /nfs/dbraw/zinc/20/32/76/209203276.db2.gz LEKNTCZFZUVCKD-HIFRSBDPSA-N 1 3 326.485 0.857 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000236838110 242379313 /nfs/dbraw/zinc/37/93/13/242379313.db2.gz WTGHVLGZFJOSKA-UHFFFAOYSA-N 1 3 326.485 0.764 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419689163 209171695 /nfs/dbraw/zinc/17/16/95/209171695.db2.gz ACFCISISKUVUJX-KBXCAEBGSA-N 1 3 334.464 0.332 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419689168 209171086 /nfs/dbraw/zinc/17/10/86/209171086.db2.gz ACFCISISKUVUJX-KSSFIOAISA-N 1 3 334.464 0.332 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000419654304 209158792 /nfs/dbraw/zinc/15/87/92/209158792.db2.gz ZRIWQOWSISQQNN-RHSMWYFYSA-N 1 3 346.475 0.950 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419644376 209154423 /nfs/dbraw/zinc/15/44/23/209154423.db2.gz NWYCFDVQIZTDKX-JKSUJKDBSA-N 1 3 332.448 0.751 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000419635680 209152157 /nfs/dbraw/zinc/15/21/57/209152157.db2.gz GLRNWWYNFCMCGY-IYBDPMFKSA-N 1 3 330.432 0.042 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)N(C)C1CC1 ZINC000419575170 209131071 /nfs/dbraw/zinc/13/10/71/209131071.db2.gz AEQLYUJITQDIDQ-HNNXBMFYSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C(C)(C)C[NH+](C)C ZINC000419536718 209119501 /nfs/dbraw/zinc/11/95/01/209119501.db2.gz BHJLGDYOPMJECB-RWMBFGLXSA-N 1 3 342.484 0.308 20 0 ECADHO CCN(CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)C1CC1 ZINC000419522397 209116004 /nfs/dbraw/zinc/11/60/04/209116004.db2.gz MAUITVFVLGEQJJ-ZDUSSCGKSA-N 1 3 332.448 0.923 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000419945909 209256717 /nfs/dbraw/zinc/25/67/17/209256717.db2.gz DHGLITNJPBEYAR-GFCCVEGCSA-N 1 3 326.466 0.349 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419970348 209264284 /nfs/dbraw/zinc/26/42/84/209264284.db2.gz UPGBJLVBQZZRTP-HNNXBMFYSA-N 1 3 326.485 0.810 20 0 ECADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000420059686 209293212 /nfs/dbraw/zinc/29/32/12/209293212.db2.gz PGVSVLXMAZEGEL-INIZCTEOSA-N 1 3 338.496 0.810 20 0 ECADHO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H](N2CCCC2)C1 ZINC000424136048 296279936 /nfs/dbraw/zinc/27/99/36/296279936.db2.gz QDCZFFBFYFINTJ-HUUCEWRRSA-N 1 3 332.452 0.903 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410943591 208028204 /nfs/dbraw/zinc/02/82/04/208028204.db2.gz ITIBFUOIYICQPE-OAGGEKHMSA-N 1 3 336.480 0.624 20 0 ECADHO CS[C@@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1N(C)C ZINC000411418197 208099507 /nfs/dbraw/zinc/09/95/07/208099507.db2.gz HEGVONHJBJWPHC-HZPDHXFCSA-N 1 3 342.553 0.953 20 0 ECADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)C)[NH+](C)C ZINC000413438495 208325411 /nfs/dbraw/zinc/32/54/11/208325411.db2.gz QANOFZSXLWTBSO-KFWWJZLASA-N 1 3 328.501 0.924 20 0 ECADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000413438495 208325417 /nfs/dbraw/zinc/32/54/17/208325417.db2.gz QANOFZSXLWTBSO-KFWWJZLASA-N 1 3 328.501 0.924 20 0 ECADHO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(OCCN(C)C)cc1 ZINC000414171938 208396076 /nfs/dbraw/zinc/39/60/76/208396076.db2.gz DMPXAYATLFIZFA-ZBFHGGJFSA-N 1 3 333.436 0.930 20 0 ECADHO C[NH2+]CCNC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000418313941 208795364 /nfs/dbraw/zinc/79/53/64/208795364.db2.gz CXQGVDOVZHGKAG-UHFFFAOYSA-N 1 3 349.479 0.678 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419157352 209005576 /nfs/dbraw/zinc/00/55/76/209005576.db2.gz KUEUYGRCUYPKGC-CABCVRRESA-N 1 3 326.485 0.857 20 0 ECADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NCCN)C1 ZINC000419217309 209029142 /nfs/dbraw/zinc/02/91/42/209029142.db2.gz QLDNZLMVZBUKCS-CQSZACIVSA-N 1 3 332.448 0.610 20 0 ECADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NCCN)C1 ZINC000419217309 209029145 /nfs/dbraw/zinc/02/91/45/209029145.db2.gz QLDNZLMVZBUKCS-CQSZACIVSA-N 1 3 332.448 0.610 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419225278 209032419 /nfs/dbraw/zinc/03/24/19/209032419.db2.gz GYMNDCVQVQUWLD-FVQBIDKESA-N 1 3 336.480 0.563 20 0 ECADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419229353 209033310 /nfs/dbraw/zinc/03/33/10/209033310.db2.gz OQTRSBRUOOBJEU-XHSDSOJGSA-N 1 3 334.464 0.045 20 0 ECADHO [NH3+][C@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419418640 209089215 /nfs/dbraw/zinc/08/92/15/209089215.db2.gz INRSREWJXWTVQY-INIZCTEOSA-N 1 3 330.432 0.111 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000154801513 224307213 /nfs/dbraw/zinc/30/72/13/224307213.db2.gz CEYQHSQOJHVWJR-UHFFFAOYSA-N 1 3 336.436 0.586 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1[NH3+] ZINC000419361557 209070462 /nfs/dbraw/zinc/07/04/62/209070462.db2.gz ASQQIUWPFRIFQR-CZUORRHYSA-N 1 3 344.459 0.007 20 0 ECADHO CCOC(=O)C1([C@@H](C)NCc2ccnc(N(C)C)n2)CC[NH2+]CC1 ZINC000423019673 285663419 /nfs/dbraw/zinc/66/34/19/285663419.db2.gz WSYNNLJKNZEDOO-CYBMUJFWSA-N 1 3 335.452 0.954 20 0 ECADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCN(C(C)C)C2=O)CC[NH2+]CC1 ZINC000422980579 285664134 /nfs/dbraw/zinc/66/41/34/285664134.db2.gz LULWNEBCSJOCDB-ZIAGYGMSSA-N 1 3 325.453 0.907 20 0 ECADHO Cc1ccc2ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)n2c1 ZINC000104533123 296635283 /nfs/dbraw/zinc/63/52/83/296635283.db2.gz DCCPPUZNINAVFJ-UHFFFAOYSA-N 1 3 345.447 0.568 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cc1F ZINC000130618041 296665541 /nfs/dbraw/zinc/66/55/41/296665541.db2.gz RHEDFADOLSYIIW-UHFFFAOYSA-N 1 3 342.390 0.855 20 0 ECADHO CS(=O)(=O)NCCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422802630 286614157 /nfs/dbraw/zinc/61/41/57/286614157.db2.gz HRVZRZSHNAZFOD-GOEBONIOSA-N 1 3 339.461 0.771 20 0 ECADHO Cn1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(=O)n(C)c1=O ZINC000245707469 165114425 /nfs/dbraw/zinc/11/44/25/165114425.db2.gz BZDMHIYGRJPZAN-BBRMVZONSA-N 1 3 332.448 0.533 20 0 ECADHO Cn1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(=O)n(C)c1=O ZINC000245707469 165114430 /nfs/dbraw/zinc/11/44/30/165114430.db2.gz BZDMHIYGRJPZAN-BBRMVZONSA-N 1 3 332.448 0.533 20 0 ECADHO Cn1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(=O)n(C)c1=O ZINC000245707475 165114569 /nfs/dbraw/zinc/11/45/69/165114569.db2.gz BZDMHIYGRJPZAN-XJKSGUPXSA-N 1 3 332.448 0.533 20 0 ECADHO Cn1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(=O)n(C)c1=O ZINC000245707475 165114572 /nfs/dbraw/zinc/11/45/72/165114572.db2.gz BZDMHIYGRJPZAN-XJKSGUPXSA-N 1 3 332.448 0.533 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247182918 165155529 /nfs/dbraw/zinc/15/55/29/165155529.db2.gz ZHMWXKBRYCMMNU-DLBZAZTESA-N 1 3 341.496 0.962 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247182918 165155530 /nfs/dbraw/zinc/15/55/30/165155530.db2.gz ZHMWXKBRYCMMNU-DLBZAZTESA-N 1 3 341.496 0.962 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)C[C@@H](C)O1 ZINC000261864103 165253430 /nfs/dbraw/zinc/25/34/30/165253430.db2.gz SLXVFQLQCLNDSA-SRABZTEZSA-N 1 3 339.480 0.841 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261977463 165270901 /nfs/dbraw/zinc/27/09/01/165270901.db2.gz LWFXBUPIWPJTEV-CHWSQXEVSA-N 1 3 336.402 0.813 20 0 ECADHO Cn1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c(-c2cccnc2)n1 ZINC000262082780 165287406 /nfs/dbraw/zinc/28/74/06/165287406.db2.gz FMCACFYHJGSKKV-KRWDZBQOSA-N 1 3 326.448 0.962 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262328857 165330815 /nfs/dbraw/zinc/33/08/15/165330815.db2.gz DSLIGKGXDYHQLK-CVEARBPZSA-N 1 3 346.431 0.174 20 0 ECADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1cccc(OC)c1 ZINC000262424868 165347918 /nfs/dbraw/zinc/34/79/18/165347918.db2.gz QZJARUBBJIJMKN-HYVNUMGLSA-N 1 3 335.448 0.917 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCC2([NH3+])CCC2)Cc2ccccc2C1 ZINC000419380778 209074163 /nfs/dbraw/zinc/07/41/63/209074163.db2.gz XNUJGVHTTVGFCK-UHFFFAOYSA-N 1 3 344.459 0.199 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCC(C)(C)[NH3+])Cc2ccccc2C1 ZINC000419383107 209075117 /nfs/dbraw/zinc/07/51/17/209075117.db2.gz ZJXKMVLHYCLNIJ-UHFFFAOYSA-N 1 3 332.448 0.055 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000168375526 226213899 /nfs/dbraw/zinc/21/38/99/226213899.db2.gz MDIBLTAFECBOFH-MRXNPFEDSA-N 1 3 332.448 0.736 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000122977980 222192960 /nfs/dbraw/zinc/19/29/60/222192960.db2.gz KMXRBABUMFRFCF-FUHWJXTLSA-N 1 3 336.480 0.771 20 0 ECADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000633012574 421191797 /nfs/dbraw/zinc/19/17/97/421191797.db2.gz GPQDOFRORQRJAS-CYBMUJFWSA-N 1 3 336.440 0.113 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H](C)O1 ZINC000237665537 263174644 /nfs/dbraw/zinc/17/46/44/263174644.db2.gz QJZWLLSRQCMYDI-XHSDSOJGSA-N 1 3 327.469 0.761 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000269866374 263209432 /nfs/dbraw/zinc/20/94/32/263209432.db2.gz SNHVYSNABAFJPG-SJLPKXTDSA-N 1 3 334.464 0.873 20 0 ECADHO CCC[NH2+][C@@H](C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000295248643 265055962 /nfs/dbraw/zinc/05/59/62/265055962.db2.gz UCMCHAAOLFOQEW-AWEZNQCLSA-N 1 3 334.464 0.982 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415495128 277026778 /nfs/dbraw/zinc/02/67/78/277026778.db2.gz MZROMLMJUNFYKX-HNNXBMFYSA-N 1 3 348.447 0.776 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCCC(=O)N3)CC2)CC1 ZINC000193955430 277027022 /nfs/dbraw/zinc/02/70/22/277027022.db2.gz PWSMJCUVQMQGGS-MRXNPFEDSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419697522 277387789 /nfs/dbraw/zinc/38/77/89/277387789.db2.gz OIJCIDHRGNUYDH-GPANFISMSA-N 1 3 338.496 0.999 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419231140 278171071 /nfs/dbraw/zinc/17/10/71/278171071.db2.gz RAYAEJFVTQSXBQ-BFYDXBDKSA-N 1 3 346.475 0.867 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423059161 278856176 /nfs/dbraw/zinc/85/61/76/278856176.db2.gz DZZZDOHUQJKZSD-UHFFFAOYSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC000336952791 279302582 /nfs/dbraw/zinc/30/25/82/279302582.db2.gz RXURYKPFQXZDQC-RBSFLKMASA-N 1 3 325.453 0.670 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC000336952791 279302584 /nfs/dbraw/zinc/30/25/84/279302584.db2.gz RXURYKPFQXZDQC-RBSFLKMASA-N 1 3 325.453 0.670 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000449740701 279330548 /nfs/dbraw/zinc/33/05/48/279330548.db2.gz HESJWHANEKNGAL-UGUYLWEFSA-N 1 3 334.464 0.140 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417752698 279358523 /nfs/dbraw/zinc/35/85/23/279358523.db2.gz NAUKEBGXZSJNGN-HNNXBMFYSA-N 1 3 327.517 0.886 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000263254769 280274357 /nfs/dbraw/zinc/27/43/57/280274357.db2.gz QEDXHBDMHAMLAN-PBHICJAKSA-N 1 3 334.464 0.723 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000263254769 280274358 /nfs/dbraw/zinc/27/43/58/280274358.db2.gz QEDXHBDMHAMLAN-PBHICJAKSA-N 1 3 334.464 0.723 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420136207 288323590 /nfs/dbraw/zinc/32/35/90/288323590.db2.gz VYEHGBKBWCLAIO-OWCLPIDISA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCN1C ZINC000343638242 437609957 /nfs/dbraw/zinc/60/99/57/437609957.db2.gz KHIZFIPKNNNFPT-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCN1C ZINC000343638242 437609962 /nfs/dbraw/zinc/60/99/62/437609962.db2.gz KHIZFIPKNNNFPT-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CCSC1 ZINC000423336817 289342276 /nfs/dbraw/zinc/34/22/76/289342276.db2.gz JUFCQLSHXMDEPZ-GDBMZVCRSA-N 1 3 337.493 0.975 20 0 ECADHO CN1CCN(CCNC(=O)NCCC[NH+]2CCCC2)CC1(C)C ZINC000442428107 290043979 /nfs/dbraw/zinc/04/39/79/290043979.db2.gz FDBIXPBCMSWKSL-UHFFFAOYSA-N 1 3 325.501 0.798 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345282 293026333 /nfs/dbraw/zinc/02/63/33/293026333.db2.gz VQDUCIIJQFLZDQ-MELADBBJSA-N 1 3 326.441 0.169 20 0 ECADHO COC[C@H](C)OC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000447311007 293043946 /nfs/dbraw/zinc/04/39/46/293043946.db2.gz DMEKRJACASYNDR-XMTFNYHQSA-N 1 3 343.512 0.357 20 0 ECADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000332089087 297000046 /nfs/dbraw/zinc/00/00/46/297000046.db2.gz KWJQZMBMGQKUCW-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO COC[C@]1(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)CCC[NH2+]1 ZINC000418639078 293288744 /nfs/dbraw/zinc/28/87/44/293288744.db2.gz PFOJAZYCHLGJCU-NVXWUHKLSA-N 1 3 342.484 0.507 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000332129134 297005650 /nfs/dbraw/zinc/00/56/50/297005650.db2.gz HTVMACQDTWEFRK-IIDMSEBBSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCN1C ZINC000343672547 437622980 /nfs/dbraw/zinc/62/29/80/437622980.db2.gz MCYJTNAQPCIJHX-GOEBONIOSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCN1C ZINC000343672547 437622984 /nfs/dbraw/zinc/62/29/84/437622984.db2.gz MCYJTNAQPCIJHX-GOEBONIOSA-N 1 3 338.496 0.918 20 0 ECADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000333551374 297141049 /nfs/dbraw/zinc/14/10/49/297141049.db2.gz JNOFUIHBAGIIQR-OFQRWUPVSA-N 1 3 332.452 0.759 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C[C@H]2N)cn1 ZINC000333636967 297146262 /nfs/dbraw/zinc/14/62/62/297146262.db2.gz WRQGAGBAWUPABB-UHOFOFEASA-N 1 3 332.452 0.341 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C[C@H]2N)cn1 ZINC000333636967 297146264 /nfs/dbraw/zinc/14/62/64/297146264.db2.gz WRQGAGBAWUPABB-UHOFOFEASA-N 1 3 332.452 0.341 20 0 ECADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000333833962 297151188 /nfs/dbraw/zinc/15/11/88/297151188.db2.gz NAEKNXPETWUHHJ-JYJNAYRXSA-N 1 3 340.468 0.260 20 0 ECADHO Cc1nccn1CCCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000338603575 297281290 /nfs/dbraw/zinc/28/12/90/297281290.db2.gz VSFBMIRLCUVLGR-UHFFFAOYSA-N 1 3 336.484 0.907 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339576161 297361155 /nfs/dbraw/zinc/36/11/55/297361155.db2.gz FUCQGCHMIUOUKQ-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339612804 297363905 /nfs/dbraw/zinc/36/39/05/297363905.db2.gz GQGDUAGMHDEPTJ-OAHLLOKOSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339635715 297367181 /nfs/dbraw/zinc/36/71/81/297367181.db2.gz FHJYLKOLNRDGOL-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000344450301 298021552 /nfs/dbraw/zinc/02/15/52/298021552.db2.gz HYYZZRCWEBUCGC-NJAFHUGGSA-N 1 3 332.492 0.852 20 0 ECADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000344450301 298021555 /nfs/dbraw/zinc/02/15/55/298021555.db2.gz HYYZZRCWEBUCGC-NJAFHUGGSA-N 1 3 332.492 0.852 20 0 ECADHO C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000346125400 298230236 /nfs/dbraw/zinc/23/02/36/298230236.db2.gz FVMSXPVSBHCFEF-GOSISDBHSA-N 1 3 330.476 0.797 20 0 ECADHO CC(C)[C@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)N(C)C ZINC000346268746 298246718 /nfs/dbraw/zinc/24/67/18/298246718.db2.gz ULCOCWSJWMPKTG-MRXNPFEDSA-N 1 3 326.485 0.632 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)CN2CCOCC2)[C@@H](C)C1 ZINC000346541913 298290159 /nfs/dbraw/zinc/29/01/59/298290159.db2.gz MVOHNXLVKXHKSD-BZSNNMDCSA-N 1 3 343.512 0.406 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)CN2CCOCC2)[C@@H](C)C1 ZINC000346541913 298290162 /nfs/dbraw/zinc/29/01/62/298290162.db2.gz MVOHNXLVKXHKSD-BZSNNMDCSA-N 1 3 343.512 0.406 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000352091922 298883156 /nfs/dbraw/zinc/88/31/56/298883156.db2.gz MUKBOQQGTJWADV-INIZCTEOSA-N 1 3 326.485 0.858 20 0 ECADHO CO[C@H](CN)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000353437037 299048784 /nfs/dbraw/zinc/04/87/84/299048784.db2.gz YFXZNTWZZLJLJQ-GDBMZVCRSA-N 1 3 335.448 0.976 20 0 ECADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278734 299964908 /nfs/dbraw/zinc/96/49/08/299964908.db2.gz LAELYCNAYVUPNV-GJZGRUSLSA-N 1 3 342.484 0.060 20 0 ECADHO CCOC(=O)[C@@](C)(O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000361431392 300093615 /nfs/dbraw/zinc/09/36/15/300093615.db2.gz CVAWKEFMVOHRPU-KRWDZBQOSA-N 1 3 328.453 0.877 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[C@H](CN2CCOCC2)C1 ZINC000362565173 300199320 /nfs/dbraw/zinc/19/93/20/300199320.db2.gz RSVMDDGCPLTYQZ-KGLIPLIRSA-N 1 3 333.436 0.281 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000362848575 300228109 /nfs/dbraw/zinc/22/81/09/300228109.db2.gz CEUQKVVOZRLJGM-DOTOQJQBSA-N 1 3 345.491 0.990 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000362848575 300228111 /nfs/dbraw/zinc/22/81/11/300228111.db2.gz CEUQKVVOZRLJGM-DOTOQJQBSA-N 1 3 345.491 0.990 20 0 ECADHO C[C@H]1CN(CC2CCN(C(=O)CCOC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000349007022 300252125 /nfs/dbraw/zinc/25/21/25/300252125.db2.gz UXFONKTVTSQAGZ-GJZGRUSLSA-N 1 3 339.480 0.713 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000364557842 300367982 /nfs/dbraw/zinc/36/79/82/300367982.db2.gz HAPHCAFNHVQQJU-VQIMIIECSA-N 1 3 344.459 0.594 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)CN1CCN(C)CC1 ZINC000074656613 436130978 /nfs/dbraw/zinc/13/09/78/436130978.db2.gz UQIPCABOUTUABW-DLBZAZTESA-N 1 3 337.512 0.750 20 0 ECADHO CC1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074187099 436113414 /nfs/dbraw/zinc/11/34/14/436113414.db2.gz RAPIMVPFMDUZPN-INIZCTEOSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C[NH+]1CCCCC1 ZINC000074225707 436113511 /nfs/dbraw/zinc/11/35/11/436113511.db2.gz SJTFMQQKENBNQW-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)CN1CCN(C)CC1 ZINC000074350150 436123588 /nfs/dbraw/zinc/12/35/88/436123588.db2.gz YQPBWMBIAZQHSC-DOTOQJQBSA-N 1 3 337.512 0.653 20 0 ECADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)CN1CCN(C)CC1 ZINC000074350150 436123596 /nfs/dbraw/zinc/12/35/96/436123596.db2.gz YQPBWMBIAZQHSC-DOTOQJQBSA-N 1 3 337.512 0.653 20 0 ECADHO NC(=O)CC[C@H](N)C(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000373069695 301045014 /nfs/dbraw/zinc/04/50/14/301045014.db2.gz KSBSSEQSKXKMTR-KRWDZBQOSA-N 1 3 346.475 0.650 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)CC1=O ZINC000376022632 301228230 /nfs/dbraw/zinc/22/82/30/301228230.db2.gz UEFZNZQYFFNPNP-ARFHVFGLSA-N 1 3 336.480 0.387 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000377807135 301377506 /nfs/dbraw/zinc/37/75/06/301377506.db2.gz NTXLOWPZDCOKMY-RDJZCZTQSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])N1CCC(C)CC1 ZINC000516491898 301667928 /nfs/dbraw/zinc/66/79/28/301667928.db2.gz CLROCHKHKKOSDK-OAHLLOKOSA-N 1 3 326.485 0.666 20 0 ECADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000517539325 301706121 /nfs/dbraw/zinc/70/61/21/301706121.db2.gz BVHGVZDYRBHMIT-UHFFFAOYSA-N 1 3 332.448 0.675 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000527127138 301853032 /nfs/dbraw/zinc/85/30/32/301853032.db2.gz ZMBRWGAAOVMFPR-UHFFFAOYSA-N 1 3 339.415 0.882 20 0 ECADHO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000546568296 302245917 /nfs/dbraw/zinc/24/59/17/302245917.db2.gz KUAXPWAOCCXMKQ-FUHWJXTLSA-N 1 3 332.448 0.476 20 0 ECADHO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000546568296 302245921 /nfs/dbraw/zinc/24/59/21/302245921.db2.gz KUAXPWAOCCXMKQ-FUHWJXTLSA-N 1 3 332.448 0.476 20 0 ECADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1cccnc1 ZINC000551702070 302361532 /nfs/dbraw/zinc/36/15/32/302361532.db2.gz ASDQEHSDCCRYRM-AWEZNQCLSA-N 1 3 335.452 0.211 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)COC[C@@H]3CCCO3)CC2)CC1 ZINC000126651545 436790800 /nfs/dbraw/zinc/79/08/00/436790800.db2.gz YVCOEQCFPBNAPC-KRWDZBQOSA-N 1 3 339.480 0.857 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000134102692 436891129 /nfs/dbraw/zinc/89/11/29/436891129.db2.gz JCBQHCNOZBZZLR-CYBMUJFWSA-N 1 3 338.456 0.230 20 0 ECADHO COC(=O)CNC(=O)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280536363 436903961 /nfs/dbraw/zinc/90/39/61/436903961.db2.gz SRXZIAQLSGQRGM-CALCHBBNSA-N 1 3 345.443 0.730 20 0 ECADHO COC(=O)CNC(=O)CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280536363 436903964 /nfs/dbraw/zinc/90/39/64/436903964.db2.gz SRXZIAQLSGQRGM-CALCHBBNSA-N 1 3 345.443 0.730 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000167407129 436939805 /nfs/dbraw/zinc/93/98/05/436939805.db2.gz MKFIDWYSPYEMEG-ZDUSSCGKSA-N 1 3 330.498 0.079 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000168376804 436942551 /nfs/dbraw/zinc/94/25/51/436942551.db2.gz CSBUMBXBHNVDEU-MRXNPFEDSA-N 1 3 332.448 0.736 20 0 ECADHO N[C@H](Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000296420712 436991356 /nfs/dbraw/zinc/99/13/56/436991356.db2.gz MOPLKOLJHMVJCG-MRXNPFEDSA-N 1 3 325.416 1.000 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000331564824 437120459 /nfs/dbraw/zinc/12/04/59/437120459.db2.gz STBBQBQYDWWSKK-HRCADAONSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000331564824 437120463 /nfs/dbraw/zinc/12/04/63/437120463.db2.gz STBBQBQYDWWSKK-HRCADAONSA-N 1 3 336.480 0.671 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000332678726 437242334 /nfs/dbraw/zinc/24/23/34/437242334.db2.gz QZUKLJWVWSNQFL-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CN1CCN(CCNC(=O)NCC2(C)CC[NH2+]CC2)CC1(C)C ZINC000333738801 437285237 /nfs/dbraw/zinc/28/52/37/437285237.db2.gz IPCGXENLUFAKLI-UHFFFAOYSA-N 1 3 325.501 0.701 20 0 ECADHO Cc1cc(NC(=O)CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)no1 ZINC000328966177 437294279 /nfs/dbraw/zinc/29/42/79/437294279.db2.gz SNVXHJJFCZNJFA-ZBFHGGJFSA-N 1 3 349.479 1.269 20 0 ECADHO C[C@H](CNC(=O)N(C)CCCN1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000182702019 437360282 /nfs/dbraw/zinc/36/02/82/437360282.db2.gz BYDKKMOTHGRTMZ-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H](CNC(=O)N(C)CCCN1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000182702019 437360287 /nfs/dbraw/zinc/36/02/87/437360287.db2.gz BYDKKMOTHGRTMZ-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC000183355217 437382830 /nfs/dbraw/zinc/38/28/30/437382830.db2.gz CYKUFMHSWPZQEI-HZPDHXFCSA-N 1 3 327.469 0.572 20 0 ECADHO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCCCN1CCOCC1 ZINC000184065693 437395069 /nfs/dbraw/zinc/39/50/69/437395069.db2.gz KXMZNJALDRKKMG-KRWDZBQOSA-N 1 3 340.512 0.631 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000339637755 437480992 /nfs/dbraw/zinc/48/09/92/437480992.db2.gz UECCDWUSTRGCHJ-ZBFHGGJFSA-N 1 3 338.496 0.917 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000339668196 437487517 /nfs/dbraw/zinc/48/75/17/437487517.db2.gz DYPLEKMZLVLJEB-HOCLYGCPSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000339668196 437487519 /nfs/dbraw/zinc/48/75/19/437487519.db2.gz DYPLEKMZLVLJEB-HOCLYGCPSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000339684839 437494529 /nfs/dbraw/zinc/49/45/29/437494529.db2.gz VCROOYAYFSFCKL-NVXWUHKLSA-N 1 3 348.491 0.732 20 0 ECADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343151082 437518666 /nfs/dbraw/zinc/51/86/66/437518666.db2.gz MRVCQJPAUODSPO-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343151082 437518670 /nfs/dbraw/zinc/51/86/70/437518670.db2.gz MRVCQJPAUODSPO-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1CO ZINC000188022315 437521401 /nfs/dbraw/zinc/52/14/01/437521401.db2.gz RUXAPKJYVLDYMR-CABCVRRESA-N 1 3 338.496 0.815 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000339671767 437491064 /nfs/dbraw/zinc/49/10/64/437491064.db2.gz SAJGNIIKOUMMBY-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000188713759 437567174 /nfs/dbraw/zinc/56/71/74/437567174.db2.gz BYFKYNSGGZXORH-UHFFFAOYSA-N 1 3 343.431 0.926 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CN4CCN3CCC4)CC2)CC1 ZINC000343421150 437580008 /nfs/dbraw/zinc/58/00/08/437580008.db2.gz ZKUKVQIHKBLRPW-SFHVURJKSA-N 1 3 349.523 0.051 20 0 ECADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CN2CCN1CCC2 ZINC000343683568 437628021 /nfs/dbraw/zinc/62/80/21/437628021.db2.gz WZUBJOOBUSPPFQ-INIZCTEOSA-N 1 3 336.480 0.138 20 0 ECADHO C[C@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1C1CCN(C)CC1 ZINC000343707703 437633162 /nfs/dbraw/zinc/63/31/62/437633162.db2.gz BKGHHQDNVQJKNX-YTQUADARSA-N 1 3 336.524 0.950 20 0 ECADHO C[C@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1C1CCN(C)CC1 ZINC000343707703 437633167 /nfs/dbraw/zinc/63/31/67/437633167.db2.gz BKGHHQDNVQJKNX-YTQUADARSA-N 1 3 336.524 0.950 20 0 ECADHO C[C@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CCN1C1CC[NH+](C)CC1 ZINC000343707703 437633169 /nfs/dbraw/zinc/63/31/69/437633169.db2.gz BKGHHQDNVQJKNX-YTQUADARSA-N 1 3 336.524 0.950 20 0 ECADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1(CO)CCOCC1 ZINC000190983993 437643226 /nfs/dbraw/zinc/64/32/26/437643226.db2.gz KBRRVBLSFWRIIP-QGZVFWFLSA-N 1 3 349.475 0.879 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000340480805 437660449 /nfs/dbraw/zinc/66/04/49/437660449.db2.gz VGINYNIRLGCCSB-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000340480805 437660452 /nfs/dbraw/zinc/66/04/52/437660452.db2.gz VGINYNIRLGCCSB-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000340491353 437669947 /nfs/dbraw/zinc/66/99/47/437669947.db2.gz YFYDKFKYBHOEOQ-PBHICJAKSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000340491353 437669950 /nfs/dbraw/zinc/66/99/50/437669950.db2.gz YFYDKFKYBHOEOQ-PBHICJAKSA-N 1 3 346.475 0.963 20 0 ECADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCN(C)C(C)C ZINC000192927744 437698630 /nfs/dbraw/zinc/69/86/30/437698630.db2.gz HJTKLEASMBFWIP-UHFFFAOYSA-N 1 3 345.513 0.680 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000355270783 437693720 /nfs/dbraw/zinc/69/37/20/437693720.db2.gz JKRFQNOTLIWPLL-UONOGXRCSA-N 1 3 326.485 0.679 20 0 ECADHO CNC(=O)NC(=O)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000341003085 437771479 /nfs/dbraw/zinc/77/14/79/437771479.db2.gz FWKYNZDMKGBTFO-UHFFFAOYSA-N 1 3 339.484 0.323 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC1 ZINC000423597477 437772761 /nfs/dbraw/zinc/77/27/61/437772761.db2.gz UGIUEXKHLMROSY-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)COC1CCC([NH3+])CC1 ZINC000423741620 437820241 /nfs/dbraw/zinc/82/02/41/437820241.db2.gz HQMMGCXCUKOOFA-GPANFISMSA-N 1 3 327.469 0.842 20 0 ECADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Cc1ccco1 ZINC000423742740 437821704 /nfs/dbraw/zinc/82/17/04/437821704.db2.gz ZEYYACRKONZVFT-ZBFHGGJFSA-N 1 3 348.447 0.380 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NCC2([NH3+])CCC2)c1 ZINC000415565370 437822395 /nfs/dbraw/zinc/82/23/95/437822395.db2.gz UPDOOKKGWKYIBB-UHFFFAOYSA-N 1 3 334.420 0.563 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000415303320 437777974 /nfs/dbraw/zinc/77/79/74/437777974.db2.gz OLZBODBNDZWZHT-UHFFFAOYSA-N 1 3 348.447 0.763 20 0 ECADHO CC(C)N1CCN(C2CC[NH+](CCCC(=O)NC(N)=O)CC2)CC1 ZINC000341031723 437778606 /nfs/dbraw/zinc/77/86/06/437778606.db2.gz UGBNGPWIKSTSEO-UHFFFAOYSA-N 1 3 339.484 0.452 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415429048 437802518 /nfs/dbraw/zinc/80/25/18/437802518.db2.gz ARBJCUGPCVFEKI-HNNXBMFYSA-N 1 3 336.436 0.665 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000423696939 437806420 /nfs/dbraw/zinc/80/64/20/437806420.db2.gz YKIQQGKUUQUSEA-MRXNPFEDSA-N 1 3 332.448 0.527 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000423714570 437809773 /nfs/dbraw/zinc/80/97/73/437809773.db2.gz GKEOXSXYSZQWHG-CVEARBPZSA-N 1 3 338.496 0.907 20 0 ECADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000423989830 437869803 /nfs/dbraw/zinc/86/98/03/437869803.db2.gz IWIDWYYCSAPERL-GOSISDBHSA-N 1 3 346.475 0.612 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1=O ZINC000365228345 437878438 /nfs/dbraw/zinc/87/84/38/437878438.db2.gz TXMUZSYFDQHWOW-YLFCFFPRSA-N 1 3 348.491 0.530 20 0 ECADHO NC(=O)CC[C@@H](N)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000365243320 437879481 /nfs/dbraw/zinc/87/94/81/437879481.db2.gz LBNCKNSYBDLTSF-GFCCVEGCSA-N 1 3 328.482 0.057 20 0 ECADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415721899 437847755 /nfs/dbraw/zinc/84/77/55/437847755.db2.gz BWFVHTLABRCXPS-WFASDCNBSA-N 1 3 334.420 0.514 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000365126069 437863740 /nfs/dbraw/zinc/86/37/40/437863740.db2.gz RJOZPFSRYITBJX-QGZVFWFLSA-N 1 3 348.491 0.626 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)[C@H](C)CN2CCOCC2)CC1 ZINC000347684923 437932113 /nfs/dbraw/zinc/93/21/13/437932113.db2.gz NFXKQTCTGQFSIU-MRXNPFEDSA-N 1 3 326.485 0.099 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000357209621 437933528 /nfs/dbraw/zinc/93/35/28/437933528.db2.gz RQMUBQVBUVRZGW-LSDHHAIUSA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@H](CC)N(C)C)C1)[NH+](C)C ZINC000357209621 437933529 /nfs/dbraw/zinc/93/35/29/437933529.db2.gz RQMUBQVBUVRZGW-LSDHHAIUSA-N 1 3 326.485 0.726 20 0 ECADHO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H](N2CCCC2)C1 ZINC000424136049 437891234 /nfs/dbraw/zinc/89/12/34/437891234.db2.gz QDCZFFBFYFINTJ-LSDHHAIUSA-N 1 3 332.452 0.903 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424154393 437893430 /nfs/dbraw/zinc/89/34/30/437893430.db2.gz LTPCMGTVQSYWCW-ZFWWWQNUSA-N 1 3 332.452 0.949 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1=O ZINC000371226775 437903200 /nfs/dbraw/zinc/90/32/00/437903200.db2.gz CLYSBVYQOSGUNI-XHSDSOJGSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)CN2CCOCC2)CC1 ZINC000347696567 437934639 /nfs/dbraw/zinc/93/46/39/437934639.db2.gz DTCFBMLMXNVRFN-IAGOWNOFSA-N 1 3 340.512 0.345 20 0 ECADHO C[C@H](C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1)C1C[NH2+]C1 ZINC000357249311 437946779 /nfs/dbraw/zinc/94/67/79/437946779.db2.gz RSWSGCHXFYJHHK-ZDUSSCGKSA-N 1 3 332.448 0.450 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]21 ZINC000342117642 437971579 /nfs/dbraw/zinc/97/15/79/437971579.db2.gz ZAUQXTZTETXTJI-GMTAPVOTSA-N 1 3 336.358 0.824 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347984039 437989608 /nfs/dbraw/zinc/98/96/08/437989608.db2.gz VLPIDPNWMKBWOO-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347984039 437989609 /nfs/dbraw/zinc/98/96/09/437989609.db2.gz VLPIDPNWMKBWOO-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000341994246 437935982 /nfs/dbraw/zinc/93/59/82/437935982.db2.gz AVEBLFYYYLBCKI-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000341994246 437935986 /nfs/dbraw/zinc/93/59/86/437935986.db2.gz AVEBLFYYYLBCKI-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[NH2+]CCNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417026145 438017057 /nfs/dbraw/zinc/01/70/57/438017057.db2.gz SGGRPSITTVKVBW-QGZVFWFLSA-N 1 3 333.480 0.884 20 0 ECADHO Cc1ccc([C@H](CNC(=O)NCCN2CC[NH2+]CC2)N(C)C)cc1 ZINC000417318887 438038403 /nfs/dbraw/zinc/03/84/03/438038403.db2.gz ZNFBGOAPKVCURY-KRWDZBQOSA-N 1 3 333.480 0.802 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)CN1CCN(C)CC1 ZINC000366284698 438046248 /nfs/dbraw/zinc/04/62/48/438046248.db2.gz RCWCSOICPSRJOF-SJLPKXTDSA-N 1 3 337.512 0.607 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)CN1CCN(C)CC1 ZINC000366284698 438046250 /nfs/dbraw/zinc/04/62/50/438046250.db2.gz RCWCSOICPSRJOF-SJLPKXTDSA-N 1 3 337.512 0.607 20 0 ECADHO CCN(CCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000417426721 438048046 /nfs/dbraw/zinc/04/80/46/438048046.db2.gz HLPQHYSFDQEQFX-OAHLLOKOSA-N 1 3 339.484 0.500 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348014426 437999072 /nfs/dbraw/zinc/99/90/72/437999072.db2.gz MSDTWGBSLNGJFS-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348014426 437999074 /nfs/dbraw/zinc/99/90/74/437999074.db2.gz MSDTWGBSLNGJFS-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO CCCN(C(=O)NC1CCN(CCN(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000416968929 438008463 /nfs/dbraw/zinc/00/84/63/438008463.db2.gz BGPUYYJHLZUQQD-INIZCTEOSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(CCN(C)C)CC1 ZINC000416984853 438011421 /nfs/dbraw/zinc/01/14/21/438011421.db2.gz YAVUZMWYWIYMEF-ZBFHGGJFSA-N 1 3 325.501 0.924 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417702127 438067731 /nfs/dbraw/zinc/06/77/31/438067731.db2.gz INCIQQJDJQKESA-MRXNPFEDSA-N 1 3 335.452 0.581 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000417752128 438073769 /nfs/dbraw/zinc/07/37/69/438073769.db2.gz MFJZGLUCVPTYIO-CVEARBPZSA-N 1 3 327.517 0.885 20 0 ECADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CNCCC2(F)F)CCCO1 ZINC000418116430 438108574 /nfs/dbraw/zinc/10/85/74/438108574.db2.gz QEIRBLNLVHMGGF-OLZOCXBDSA-N 1 3 334.411 0.784 20 0 ECADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CNCCC2(F)F)CCCO1 ZINC000418116430 438108577 /nfs/dbraw/zinc/10/85/77/438108577.db2.gz QEIRBLNLVHMGGF-OLZOCXBDSA-N 1 3 334.411 0.784 20 0 ECADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccco1 ZINC000418168271 438113765 /nfs/dbraw/zinc/11/37/65/438113765.db2.gz NYFCUCUBVBBPPO-KKUMJFAQSA-N 1 3 337.468 0.912 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418464024 438147458 /nfs/dbraw/zinc/14/74/58/438147458.db2.gz LZXVZYFCRMOQOB-HNNXBMFYSA-N 1 3 339.484 0.454 20 0 ECADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000418757169 438182740 /nfs/dbraw/zinc/18/27/40/438182740.db2.gz DLKCVLXGZJSJRP-CVEARBPZSA-N 1 3 336.436 0.586 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418787836 438188278 /nfs/dbraw/zinc/18/82/78/438188278.db2.gz KGFRXKODBWDSJZ-GJZGRUSLSA-N 1 3 339.484 0.405 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)NCC2C[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418805607 438193250 /nfs/dbraw/zinc/19/32/50/438193250.db2.gz BTFLZTATPQBMBR-IBGZPJMESA-N 1 3 344.459 0.493 20 0 ECADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418606473 438165477 /nfs/dbraw/zinc/16/54/77/438165477.db2.gz ZJAKGMZYCIIQQI-GJZGRUSLSA-N 1 3 339.484 0.276 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418851420 438216430 /nfs/dbraw/zinc/21/64/30/438216430.db2.gz PWJFBXCUSUWKHK-DJIMGWMZSA-N 1 3 346.475 0.390 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000418849634 438216685 /nfs/dbraw/zinc/21/66/85/438216685.db2.gz DBZAZRMTOGCBDG-HNNXBMFYSA-N 1 3 332.448 0.273 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000418853793 438219193 /nfs/dbraw/zinc/21/91/93/438219193.db2.gz AOGVVXQUSUAVGX-UONOGXRCSA-N 1 3 326.485 0.714 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000418860263 438222164 /nfs/dbraw/zinc/22/21/64/438222164.db2.gz LYPKDPTWFYBETE-GOEBONIOSA-N 1 3 334.464 0.991 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000418862981 438224534 /nfs/dbraw/zinc/22/45/34/438224534.db2.gz GPSHXLNSGCJBBJ-HOCLYGCPSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)(CNC(=O)CCCN1CCC([NH3+])CC1)N1CCOCC1 ZINC000433117386 438225895 /nfs/dbraw/zinc/22/58/95/438225895.db2.gz NGRKKNOBVDDDNH-UHFFFAOYSA-N 1 3 326.485 0.417 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000418870882 438228116 /nfs/dbraw/zinc/22/81/16/438228116.db2.gz URLLXMLGQXAZIR-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccnc2)[C@H]2CCC[C@@H]21 ZINC000367611665 438230517 /nfs/dbraw/zinc/23/05/17/438230517.db2.gz CPTLLLYGXAIVTD-PMPSAXMXSA-N 1 3 338.477 0.822 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCCO1 ZINC000418876870 438232670 /nfs/dbraw/zinc/23/26/70/438232670.db2.gz HEXKJEPZTSJXDD-CQSZACIVSA-N 1 3 342.484 0.047 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433400180 438245149 /nfs/dbraw/zinc/24/51/49/438245149.db2.gz RUAFXHHECRNRET-ILXRZTDVSA-N 1 3 332.452 0.901 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418815095 438198798 /nfs/dbraw/zinc/19/87/98/438198798.db2.gz KJHDNSMDGXPUJZ-LJQANCHMSA-N 1 3 346.475 0.883 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418816061 438198962 /nfs/dbraw/zinc/19/89/62/438198962.db2.gz LLGXEPDVVMHRJV-DNVCBOLYSA-N 1 3 346.475 0.963 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418829342 438204739 /nfs/dbraw/zinc/20/47/39/438204739.db2.gz DPFGPUHAIWGDFJ-CVEARBPZSA-N 1 3 334.464 0.375 20 0 ECADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433501266 438255049 /nfs/dbraw/zinc/25/50/49/438255049.db2.gz ZMEVLMZJKKKNJY-HZPDHXFCSA-N 1 3 346.479 0.717 20 0 ECADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433501266 438255053 /nfs/dbraw/zinc/25/50/53/438255053.db2.gz ZMEVLMZJKKKNJY-HZPDHXFCSA-N 1 3 346.479 0.717 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418934767 438256630 /nfs/dbraw/zinc/25/66/30/438256630.db2.gz AHXMGVVOQOTLOE-DNVCBOLYSA-N 1 3 346.475 0.820 20 0 ECADHO COC(=O)CNC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367887581 438261620 /nfs/dbraw/zinc/26/16/20/438261620.db2.gz VBRHJADWMWBKKD-UHFFFAOYSA-N 1 3 334.420 0.519 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000418958184 438264636 /nfs/dbraw/zinc/26/46/36/438264636.db2.gz FQHBYFQIQJCCKE-HZTRTUMWSA-N 1 3 344.459 0.762 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000418958184 438264639 /nfs/dbraw/zinc/26/46/39/438264639.db2.gz FQHBYFQIQJCCKE-HZTRTUMWSA-N 1 3 344.459 0.762 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000418982303 438271206 /nfs/dbraw/zinc/27/12/06/438271206.db2.gz HTYGDRNFLMPFMV-MRXNPFEDSA-N 1 3 332.448 0.623 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000418998473 438280168 /nfs/dbraw/zinc/28/01/68/438280168.db2.gz MLOOYVOZMWSUNS-MRXNPFEDSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCN(C)Cc2ccccc2)CC[NH2+]1 ZINC000419009011 438283878 /nfs/dbraw/zinc/28/38/78/438283878.db2.gz WQXVWMKTHKFDJY-NVXWUHKLSA-N 1 3 346.475 0.881 20 0 ECADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N(C)[C@H](C)CN ZINC000419020114 438288459 /nfs/dbraw/zinc/28/84/59/438288459.db2.gz RGUMHAHSSRWVEZ-CQSZACIVSA-N 1 3 334.464 0.950 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(CC2CCCCC2)CC1 ZINC000351555265 438289099 /nfs/dbraw/zinc/28/90/99/438289099.db2.gz KWZXDQLAEJBMQN-MRXNPFEDSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419018528 438289869 /nfs/dbraw/zinc/28/98/69/438289869.db2.gz CFNWFQFYFKFMET-VNHYZAJKSA-N 1 3 338.496 0.713 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419018528 438289871 /nfs/dbraw/zinc/28/98/71/438289871.db2.gz CFNWFQFYFKFMET-VNHYZAJKSA-N 1 3 338.496 0.713 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419022846 438290822 /nfs/dbraw/zinc/29/08/22/438290822.db2.gz IUPJOQIVGAJMQH-FZKCQIBNSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC000419020972 438291520 /nfs/dbraw/zinc/29/15/20/438291520.db2.gz AKTHWWKXHDVEJU-QLFBSQMISA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)NCCOCC[NH+](C)C)CCCO1 ZINC000433464532 438251488 /nfs/dbraw/zinc/25/14/88/438251488.db2.gz CQQHEPLUDAKAJV-OAHLLOKOSA-N 1 3 330.473 0.365 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000351723132 438327976 /nfs/dbraw/zinc/32/79/76/438327976.db2.gz QLLMRORKPNLOMP-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419122129 438332500 /nfs/dbraw/zinc/33/25/00/438332500.db2.gz NCMBLQYZRPQWMW-XHSDSOJGSA-N 1 3 338.496 0.810 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419034091 438300225 /nfs/dbraw/zinc/30/02/25/438300225.db2.gz ZFFOAPVXGMPAGV-ZNMIVQPWSA-N 1 3 338.496 0.679 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000420117265 438388091 /nfs/dbraw/zinc/38/80/91/438388091.db2.gz HDYTUFJKHPGMQN-HZPDHXFCSA-N 1 3 338.496 0.810 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000420117265 438388093 /nfs/dbraw/zinc/38/80/93/438388093.db2.gz HDYTUFJKHPGMQN-HZPDHXFCSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420166385 438390281 /nfs/dbraw/zinc/39/02/81/438390281.db2.gz HYZQMKKZBDBSGQ-GJZGRUSLSA-N 1 3 338.496 0.822 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000419251146 438350921 /nfs/dbraw/zinc/35/09/21/438350921.db2.gz ZSRKYUIVVYXTIP-GOEBONIOSA-N 1 3 338.496 0.953 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419416410 438357420 /nfs/dbraw/zinc/35/74/20/438357420.db2.gz GZGADUAJUSRBII-MRXNPFEDSA-N 1 3 332.448 0.665 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1CN ZINC000419531805 438363299 /nfs/dbraw/zinc/36/32/99/438363299.db2.gz LMGBXYGYYQWZSK-LMPOIIKSSA-N 1 3 336.480 0.705 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419693690 438366311 /nfs/dbraw/zinc/36/63/11/438366311.db2.gz IGUNDFZBOXBIJQ-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419694274 438366998 /nfs/dbraw/zinc/36/69/98/438366998.db2.gz KFDXZYIGIQVQSE-CABCVRRESA-N 1 3 336.480 0.707 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419783972 438371797 /nfs/dbraw/zinc/37/17/97/438371797.db2.gz WCUGSACCUDOVBT-GJZGRUSLSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419850237 438374012 /nfs/dbraw/zinc/37/40/12/438374012.db2.gz KZEWGMHJPFMNPY-MRXNPFEDSA-N 1 3 347.463 0.278 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419874605 438374934 /nfs/dbraw/zinc/37/49/34/438374934.db2.gz ZYWPTOLHVOBMMM-CVEARBPZSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420056496 438384918 /nfs/dbraw/zinc/38/49/18/438384918.db2.gz IOCCVKUUBCJKSV-STQMWFEESA-N 1 3 328.457 0.014 20 0 ECADHO CC(C)([NH3+])CNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000420053719 438385914 /nfs/dbraw/zinc/38/59/14/438385914.db2.gz JOMARBQLFIFQKV-UHFFFAOYSA-N 1 3 338.496 0.955 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000359457025 438439818 /nfs/dbraw/zinc/43/98/18/438439818.db2.gz KTEZYCQYRKSPMD-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCC(=O)Nc1cccnc1 ZINC000436053738 438396192 /nfs/dbraw/zinc/39/61/92/438396192.db2.gz GQMCCITYPVWFAQ-OAHLLOKOSA-N 1 3 333.436 0.730 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000352223187 438400497 /nfs/dbraw/zinc/40/04/97/438400497.db2.gz QLAHXCPKZHIQBH-UHFFFAOYSA-N 1 3 330.473 0.101 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C(C)(C)O)C3)CC2)CC1 ZINC000436131843 438401192 /nfs/dbraw/zinc/40/11/92/438401192.db2.gz QWJSZUARMXRNKW-UHFFFAOYSA-N 1 3 338.496 0.957 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN(C)C2CC2)CC1=O ZINC000369035258 438414617 /nfs/dbraw/zinc/41/46/17/438414617.db2.gz DRKXQQCCAJCMAZ-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN(C)C2CC2)CC1=O ZINC000369035258 438414618 /nfs/dbraw/zinc/41/46/18/438414618.db2.gz DRKXQQCCAJCMAZ-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO COCCN(C)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000369510784 438483600 /nfs/dbraw/zinc/48/36/00/438483600.db2.gz IXCHZWGOLGTYGX-UHFFFAOYSA-N 1 3 327.469 0.716 20 0 ECADHO COCCN(C)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369510784 438483604 /nfs/dbraw/zinc/48/36/04/438483604.db2.gz IXCHZWGOLGTYGX-UHFFFAOYSA-N 1 3 327.469 0.716 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000369557418 438490925 /nfs/dbraw/zinc/49/09/25/438490925.db2.gz VMPFQRYBGOGXOJ-QLFBSQMISA-N 1 3 333.436 0.401 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422083785 438514840 /nfs/dbraw/zinc/51/48/40/438514840.db2.gz ACDIJWSCDPAWPN-OAHLLOKOSA-N 1 3 342.484 0.012 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422083785 438514846 /nfs/dbraw/zinc/51/48/46/438514846.db2.gz ACDIJWSCDPAWPN-OAHLLOKOSA-N 1 3 342.484 0.012 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000422354885 438558056 /nfs/dbraw/zinc/55/80/56/438558056.db2.gz USENSRUKEIYCFY-HWOWSKLDSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422409839 438563685 /nfs/dbraw/zinc/56/36/85/438563685.db2.gz MLBYWYYWHGRORS-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC1CN(C(=O)/C=C/CN(C)C)CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000493391345 438623034 /nfs/dbraw/zinc/62/30/34/438623034.db2.gz AAFGVMVZMYNWIZ-MKKAVFGOSA-N 1 3 336.480 0.529 20 0 ECADHO CC1CN(C(=O)/C=C/C[NH+](C)C)CCN(C(=O)/C=C\CN(C)C)C1 ZINC000493391345 438623039 /nfs/dbraw/zinc/62/30/39/438623039.db2.gz AAFGVMVZMYNWIZ-MKKAVFGOSA-N 1 3 336.480 0.529 20 0 ECADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779115 438623947 /nfs/dbraw/zinc/62/39/47/438623947.db2.gz KZCMLZDSGACHAH-LSDHHAIUSA-N 1 3 332.452 0.184 20 0 ECADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779115 438623951 /nfs/dbraw/zinc/62/39/51/438623951.db2.gz KZCMLZDSGACHAH-LSDHHAIUSA-N 1 3 332.452 0.184 20 0 ECADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779115 438623953 /nfs/dbraw/zinc/62/39/53/438623953.db2.gz KZCMLZDSGACHAH-LSDHHAIUSA-N 1 3 332.452 0.184 20 0 ECADHO O=C(NCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccn[nH]1 ZINC000423043030 438633071 /nfs/dbraw/zinc/63/30/71/438633071.db2.gz NAYJPMWHCIESHV-QAPCUYQASA-N 1 3 341.415 0.985 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000423062405 438634614 /nfs/dbraw/zinc/63/46/14/438634614.db2.gz MWQDEEQMQWPDED-HNNXBMFYSA-N 1 3 326.485 0.491 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423148952 438643089 /nfs/dbraw/zinc/64/30/89/438643089.db2.gz GXOCRYMIQRZYDM-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@H](C)C1 ZINC000410734565 438645702 /nfs/dbraw/zinc/64/57/02/438645702.db2.gz YTKMWDKQWOXQOA-QKPAOTATSA-N 1 3 336.480 0.338 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@H](C)C1 ZINC000410734565 438645706 /nfs/dbraw/zinc/64/57/06/438645706.db2.gz YTKMWDKQWOXQOA-QKPAOTATSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C[C@@]1(C)C[NH3+] ZINC000423200394 438647887 /nfs/dbraw/zinc/64/78/87/438647887.db2.gz MDODFUVOSRCHTQ-RVKKMQEKSA-N 1 3 336.480 0.517 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1CN1CCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000423197683 438649020 /nfs/dbraw/zinc/64/90/20/438649020.db2.gz AOPPLOPYCAHDRH-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000410779715 438655183 /nfs/dbraw/zinc/65/51/83/438655183.db2.gz MDOSHNONEOVIRT-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000410779715 438655185 /nfs/dbraw/zinc/65/51/85/438655185.db2.gz MDOSHNONEOVIRT-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000422841998 438611023 /nfs/dbraw/zinc/61/10/23/438611023.db2.gz DXBXVGCCZHHWGR-ZWKOTPCHSA-N 1 3 347.507 0.950 20 0 ECADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000423353893 438665835 /nfs/dbraw/zinc/66/58/35/438665835.db2.gz FFNFOPZIZIXZBO-PBHICJAKSA-N 1 3 346.475 0.982 20 0 ECADHO CN(CCN1CCN(C(=O)C2(C)C[NH2+]C2)CC1)Cc1ccccc1 ZINC000423371859 438666074 /nfs/dbraw/zinc/66/60/74/438666074.db2.gz FXRLBGOVBQGISF-UHFFFAOYSA-N 1 3 330.476 0.872 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000423366962 438666865 /nfs/dbraw/zinc/66/68/65/438666865.db2.gz LZNLQLTYILVRRS-ZFWWWQNUSA-N 1 3 336.436 0.366 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000423366959 438667195 /nfs/dbraw/zinc/66/71/95/438667195.db2.gz LZNLQLTYILVRRS-DZGCQCFKSA-N 1 3 336.436 0.366 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000410805179 438659306 /nfs/dbraw/zinc/65/93/06/438659306.db2.gz KBLHNWSBIWXQNY-HRCADAONSA-N 1 3 336.480 0.339 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000410805179 438659309 /nfs/dbraw/zinc/65/93/09/438659309.db2.gz KBLHNWSBIWXQNY-HRCADAONSA-N 1 3 336.480 0.339 20 0 ECADHO CN(CCNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CC1 ZINC000414874546 438719472 /nfs/dbraw/zinc/71/94/72/438719472.db2.gz IBKXEOSZFYZPQU-UHFFFAOYSA-N 1 3 334.395 0.620 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000414890358 438721109 /nfs/dbraw/zinc/72/11/09/438721109.db2.gz ZMAGWNCAMSERRN-UHFFFAOYSA-N 1 3 336.411 0.866 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000414890358 438721111 /nfs/dbraw/zinc/72/11/11/438721111.db2.gz ZMAGWNCAMSERRN-UHFFFAOYSA-N 1 3 336.411 0.866 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)NCCN2CC[NH2+]CC2)c1 ZINC000414883803 438721171 /nfs/dbraw/zinc/72/11/71/438721171.db2.gz NNIMEFGJVQPNQW-UHFFFAOYSA-N 1 3 335.452 0.654 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])N(C)C)cc1 ZINC000575733156 438753168 /nfs/dbraw/zinc/75/31/68/438753168.db2.gz GNVGCDSROBKPES-IAGOWNOFSA-N 1 3 333.480 0.882 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000505375869 438803112 /nfs/dbraw/zinc/80/31/12/438803112.db2.gz VYGISCYBPBCXSG-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000505375869 438803115 /nfs/dbraw/zinc/80/31/15/438803115.db2.gz VYGISCYBPBCXSG-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000576094130 438767778 /nfs/dbraw/zinc/76/77/78/438767778.db2.gz RRYIPWZJIDCPKL-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000576388797 438780521 /nfs/dbraw/zinc/78/05/21/438780521.db2.gz KBRSBBXCQZMXRB-ZJIFWQFVSA-N 1 3 334.464 0.140 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000562875660 438855623 /nfs/dbraw/zinc/85/56/23/438855623.db2.gz DMSRQVNSNQEOLI-QGZVFWFLSA-N 1 3 334.468 1.394 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000562875660 438855628 /nfs/dbraw/zinc/85/56/28/438855628.db2.gz DMSRQVNSNQEOLI-QGZVFWFLSA-N 1 3 334.468 1.394 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCNC[C@@H]1c1ccncc1 ZINC000514728540 438828484 /nfs/dbraw/zinc/82/84/84/438828484.db2.gz TUBBZCRKWMWHLX-CZUORRHYSA-N 1 3 326.404 0.668 20 0 ECADHO CC[NH2+]CCCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000577269222 438829334 /nfs/dbraw/zinc/82/93/34/438829334.db2.gz IVMMXQQKIXJVPY-CQSZACIVSA-N 1 3 327.473 0.228 20 0 ECADHO CN1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H](CN)C1 ZINC000577368271 438835992 /nfs/dbraw/zinc/83/59/92/438835992.db2.gz JLBZYCQSHQSBHC-PKSOCPPESA-N 1 3 335.496 0.424 20 0 ECADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)C[NH+]1CCCC1 ZINC000457885243 438839375 /nfs/dbraw/zinc/83/93/75/438839375.db2.gz PVTVTDPCWYKJAC-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000515016599 438844787 /nfs/dbraw/zinc/84/47/87/438844787.db2.gz MYIBUGCLOUPMBZ-DJIMGWMZSA-N 1 3 348.491 0.672 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCc4ccccc4[C@H]3C[NH3+])C[C@@H]21 ZINC000516182368 438896078 /nfs/dbraw/zinc/89/60/78/438896078.db2.gz UPNSYVBSJYCZJR-OIISXLGYSA-N 1 3 342.443 0.234 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000564968229 438896847 /nfs/dbraw/zinc/89/68/47/438896847.db2.gz UMZFITAHHUHZDX-SMDDNHRTSA-N 1 3 343.497 0.419 20 0 ECADHO CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)[C@@H](C[NH3+])C1 ZINC000578504568 438928357 /nfs/dbraw/zinc/92/83/57/438928357.db2.gz IBZQCTGJBZMGGU-SJORKVTESA-N 1 3 331.464 0.395 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CN1C1CC1 ZINC000516811986 438928504 /nfs/dbraw/zinc/92/85/04/438928504.db2.gz GTNZNZVLGRZJJV-FMKPAKJESA-N 1 3 334.464 0.425 20 0 ECADHO C[C@@H](CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000459039687 438939037 /nfs/dbraw/zinc/93/90/37/438939037.db2.gz KBTUABRXYIUGJG-MAUKXSAKSA-N 1 3 334.464 0.873 20 0 ECADHO CCOC(=O)C1([C@H](C)NCC2(S(=O)(=O)CC)CC2)CC[NH2+]CC1 ZINC000596655766 438985668 /nfs/dbraw/zinc/98/56/68/438985668.db2.gz YWVDWVWJSIOUPI-ZDUSSCGKSA-N 1 3 346.493 0.865 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000566058447 439000510 /nfs/dbraw/zinc/00/05/10/439000510.db2.gz MCATYSQNPJGVRB-DOTOQJQBSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000566058475 439001374 /nfs/dbraw/zinc/00/13/74/439001374.db2.gz OZYTUFVQEJRKCK-HUUCEWRRSA-N 1 3 325.501 0.700 20 0 ECADHO CC(C)CN1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000591860447 439089648 /nfs/dbraw/zinc/08/96/48/439089648.db2.gz SASZLUXTKFIHFB-UHFFFAOYSA-N 1 3 339.528 0.997 20 0 ECADHO CCCCN1CCC(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC000602470944 439092889 /nfs/dbraw/zinc/09/28/89/439092889.db2.gz MACKDYGEXVSWME-QFIPXVFZSA-N 1 3 329.510 0.868 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000521010196 439103108 /nfs/dbraw/zinc/10/31/08/439103108.db2.gz QPLPLZOUDOTEDX-ARFHVFGLSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000580549692 439104365 /nfs/dbraw/zinc/10/43/65/439104365.db2.gz FBDHQJBGLCQJCK-GOSISDBHSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000521217720 439111073 /nfs/dbraw/zinc/11/10/73/439111073.db2.gz SQUONRPVZDRMIA-TZMCWYRMSA-N 1 3 346.422 0.878 20 0 ECADHO N[C@H]1C[C@H]2CN(C(=O)NCC[NH2+]C3CCCCCC3)CCN2C1=O ZINC000521273300 439112204 /nfs/dbraw/zinc/11/22/04/439112204.db2.gz NUNWPRYUXYJHTD-GJZGRUSLSA-N 1 3 337.468 0.252 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC1 ZINC000602573589 439114151 /nfs/dbraw/zinc/11/41/51/439114151.db2.gz SGWAVAHNLGLOMV-CQSZACIVSA-N 1 3 341.452 0.370 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCCC[NH2+]2)cn1 ZINC000566622104 439075820 /nfs/dbraw/zinc/07/58/20/439075820.db2.gz PSRNEZRYGOBNHK-AWEZNQCLSA-N 1 3 336.440 0.032 20 0 ECADHO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000567385908 439137997 /nfs/dbraw/zinc/13/79/97/439137997.db2.gz WDQDJVKSOBTWLM-SJORKVTESA-N 1 3 336.432 0.675 20 0 ECADHO COC1([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCC1 ZINC000567638314 439159985 /nfs/dbraw/zinc/15/99/85/439159985.db2.gz COVBTBHWSUUBTJ-CQSZACIVSA-N 1 3 342.484 0.012 20 0 ECADHO COC(=O)C[C@@H](C)N1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000592197715 439175602 /nfs/dbraw/zinc/17/56/02/439175602.db2.gz IGFWUPIVAJIOGB-CHWSQXEVSA-N 1 3 349.435 0.196 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)NCCCNCc2cccnc2)CC1 ZINC000581731303 439249733 /nfs/dbraw/zinc/24/97/33/439249733.db2.gz TXXPHEUIWQAHMZ-UHFFFAOYSA-N 1 3 349.479 0.971 20 0 ECADHO CN(C)[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)Cc1ccccc1 ZINC000569229280 439315089 /nfs/dbraw/zinc/31/50/89/439315089.db2.gz MXUPWJSPRMMWDI-MOPGFXCFSA-N 1 3 334.508 0.357 20 0 ECADHO [NH3+]C1(CNC(=O)C[C@@H]2CNCCO2)CCN(Cc2ccccc2)CC1 ZINC000569574427 439344953 /nfs/dbraw/zinc/34/49/53/439344953.db2.gz CGWRGMHZNHERRU-QGZVFWFLSA-N 1 3 346.475 0.475 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000569621619 439350638 /nfs/dbraw/zinc/35/06/38/439350638.db2.gz UTCVNHZTFAQXHB-KBMXLJTQSA-N 1 3 334.464 0.282 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)CCOC)CC2)CC1 ZINC000569987309 439381428 /nfs/dbraw/zinc/38/14/28/439381428.db2.gz WCRKPWJUOISFJV-INIZCTEOSA-N 1 3 341.496 0.696 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)nn1 ZINC000529346887 439410268 /nfs/dbraw/zinc/41/02/68/439410268.db2.gz ATEIWAXXJKJULM-UONOGXRCSA-N 1 3 333.440 0.368 20 0 ECADHO COC(=O)c1ccc(CC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000583184122 439429849 /nfs/dbraw/zinc/42/98/49/439429849.db2.gz TXCCYBSYANPWCT-UHFFFAOYSA-N 1 3 335.448 0.968 20 0 ECADHO [NH3+]C1(CNC(=O)C[C@H]2COCCN2)CCN(Cc2ccccc2)CC1 ZINC000570681624 439441940 /nfs/dbraw/zinc/44/19/40/439441940.db2.gz JSVAOWUMKXYDKJ-KRWDZBQOSA-N 1 3 346.475 0.475 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)N1CCCCC1 ZINC000570919150 439459950 /nfs/dbraw/zinc/45/99/50/439459950.db2.gz BGFIUTMJNCCQKA-UHFFFAOYSA-N 1 3 336.480 0.722 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000583430873 439461889 /nfs/dbraw/zinc/46/18/89/439461889.db2.gz YCTOQSKCOJIMCF-BZUAXINKSA-N 1 3 325.501 0.509 20 0 ECADHO COC(=O)C1CCN(C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000571047219 439469978 /nfs/dbraw/zinc/46/99/78/439469978.db2.gz LSKZMDINUKSTGL-HOTGVXAUSA-N 1 3 337.464 0.720 20 0 ECADHO COC(=O)CCN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)[C@H](C)C1 ZINC000571203769 439483294 /nfs/dbraw/zinc/48/32/94/439483294.db2.gz GTECMSWIIOSNRL-CHWSQXEVSA-N 1 3 349.435 0.196 20 0 ECADHO C[NH+](C)CCOc1ccc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000594736334 439599588 /nfs/dbraw/zinc/59/95/88/439599588.db2.gz AOMAHOGRRPGNCJ-RDJZCZTQSA-N 1 3 332.448 0.371 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000584711506 439609908 /nfs/dbraw/zinc/60/99/08/439609908.db2.gz VYTHMSJFKUZRKV-QKPAOTATSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]CC1)C(=O)NCCN1CCCCC1 ZINC000573486116 439649230 /nfs/dbraw/zinc/64/92/30/439649230.db2.gz XQPTXFAZXXWWHM-CVEARBPZSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000612479527 439714826 /nfs/dbraw/zinc/71/48/26/439714826.db2.gz CZOLDNAVSGSANX-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@@]1(C)C[NH3+] ZINC000573952731 439675178 /nfs/dbraw/zinc/67/51/78/439675178.db2.gz PGPLWFNAGDVFAZ-RDTXWAMCSA-N 1 3 338.496 0.763 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000595263602 439684860 /nfs/dbraw/zinc/68/48/60/439684860.db2.gz HJKZCWCNBKOMOW-GJZGRUSLSA-N 1 3 337.468 0.204 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612915292 439746184 /nfs/dbraw/zinc/74/61/84/439746184.db2.gz QSOMLYYBXBSZNB-UONOGXRCSA-N 1 3 347.467 0.070 20 0 ECADHO CN1CCN(CC2CCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)CC1 ZINC000612985662 439748146 /nfs/dbraw/zinc/74/81/46/439748146.db2.gz MDVCKBPVOBKVOU-QGZVFWFLSA-N 1 3 349.523 0.798 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000612545320 439725052 /nfs/dbraw/zinc/72/50/52/439725052.db2.gz JKSCALKSAVGXOG-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000612545320 439725054 /nfs/dbraw/zinc/72/50/54/439725054.db2.gz JKSCALKSAVGXOG-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[C@H]1CCN(CC)C1 ZINC000611758574 439726998 /nfs/dbraw/zinc/72/69/98/439726998.db2.gz KYFIUQZCMKAFJW-HOCLYGCPSA-N 1 3 336.480 0.696 20 0 ECADHO CC[C@@H]([NH3+])CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923449 439745840 /nfs/dbraw/zinc/74/58/40/439745840.db2.gz IIACTNZRBAMFTP-UONOGXRCSA-N 1 3 349.483 0.446 20 0 ECADHO C[C@@H](NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)[C@H](C)[NH3+] ZINC000612925411 439746059 /nfs/dbraw/zinc/74/60/59/439746059.db2.gz VHRPBPYVWNZIOD-MJBXVCDLSA-N 1 3 349.483 0.444 20 0 ECADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2(NC3CC3)CCC2)cn1 ZINC000662744270 439867392 /nfs/dbraw/zinc/86/73/92/439867392.db2.gz CMTSBBQTFZHRFP-UHFFFAOYSA-N 1 3 348.451 0.174 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000652490866 439869634 /nfs/dbraw/zinc/86/96/34/439869634.db2.gz DNEABQGJUNZSCC-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000652490866 439869640 /nfs/dbraw/zinc/86/96/40/439869640.db2.gz DNEABQGJUNZSCC-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662692296 439847463 /nfs/dbraw/zinc/84/74/63/439847463.db2.gz CSVFGJBEQAGTHV-LSDHHAIUSA-N 1 3 334.468 0.880 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000652701082 439928510 /nfs/dbraw/zinc/92/85/10/439928510.db2.gz YZZHVLKRGSJIAF-OAHLLOKOSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000652701082 439928518 /nfs/dbraw/zinc/92/85/18/439928518.db2.gz YZZHVLKRGSJIAF-OAHLLOKOSA-N 1 3 326.485 0.714 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@@H+]1C ZINC000626806166 439889681 /nfs/dbraw/zinc/88/96/81/439889681.db2.gz CGUHEJGCIOXWCC-IUODEOHRSA-N 1 3 346.431 0.706 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@H+]1C ZINC000626806166 439889684 /nfs/dbraw/zinc/88/96/84/439889684.db2.gz CGUHEJGCIOXWCC-IUODEOHRSA-N 1 3 346.431 0.706 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)NCCN1CC[C@@H](O)C1)Cc1ccccc1 ZINC000636472090 439893760 /nfs/dbraw/zinc/89/37/60/439893760.db2.gz VGFXJAKRCARKIQ-DLBZAZTESA-N 1 3 334.464 0.525 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@]12CCC(=O)N1CCS2 ZINC000617504383 439898458 /nfs/dbraw/zinc/89/84/58/439898458.db2.gz SWOFQGFYOHMJPI-XJKSGUPXSA-N 1 3 342.509 0.440 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@]12CCC(=O)N1CCS2 ZINC000617504383 439898463 /nfs/dbraw/zinc/89/84/63/439898463.db2.gz SWOFQGFYOHMJPI-XJKSGUPXSA-N 1 3 342.509 0.440 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000617506475 439899096 /nfs/dbraw/zinc/89/90/96/439899096.db2.gz ORQFKCFMLDMDQJ-YOEHRIQHSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000617506475 439899102 /nfs/dbraw/zinc/89/91/02/439899102.db2.gz ORQFKCFMLDMDQJ-YOEHRIQHSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000617507007 439899305 /nfs/dbraw/zinc/89/93/05/439899305.db2.gz FEFWHMJHCUOEDK-LBPRGKRZSA-N 1 3 346.435 0.732 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000617507007 439899310 /nfs/dbraw/zinc/89/93/10/439899310.db2.gz FEFWHMJHCUOEDK-LBPRGKRZSA-N 1 3 346.435 0.732 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(C(N)=O)cs1 ZINC000617504557 439899710 /nfs/dbraw/zinc/89/97/10/439899710.db2.gz ACGFEUSGGJSBEV-NSHDSACASA-N 1 3 326.466 0.849 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(C(N)=O)cs1 ZINC000617504557 439899719 /nfs/dbraw/zinc/89/97/19/439899719.db2.gz ACGFEUSGGJSBEV-NSHDSACASA-N 1 3 326.466 0.849 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000617506450 439900038 /nfs/dbraw/zinc/90/00/38/439900038.db2.gz NWIMEKUTQYEWKS-LSDHHAIUSA-N 1 3 330.542 0.812 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC000617502613 439900701 /nfs/dbraw/zinc/90/07/01/439900701.db2.gz WBJBEQZZZMGEGL-KBPBESRZSA-N 1 3 337.472 0.014 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC000617502613 439900706 /nfs/dbraw/zinc/90/07/06/439900706.db2.gz WBJBEQZZZMGEGL-KBPBESRZSA-N 1 3 337.472 0.014 20 0 ECADHO C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505168 439901901 /nfs/dbraw/zinc/90/19/01/439901901.db2.gz XAXKGDBNXGKHLD-UONOGXRCSA-N 1 3 338.452 0.786 20 0 ECADHO C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505168 439901904 /nfs/dbraw/zinc/90/19/04/439901904.db2.gz XAXKGDBNXGKHLD-UONOGXRCSA-N 1 3 338.452 0.786 20 0 ECADHO COc1ncnc(OC)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505801 439902618 /nfs/dbraw/zinc/90/26/18/439902618.db2.gz QQEKUGUKMLHHFB-LBPRGKRZSA-N 1 3 339.440 0.496 20 0 ECADHO COc1ncnc(OC)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505801 439902625 /nfs/dbraw/zinc/90/26/25/439902625.db2.gz QQEKUGUKMLHHFB-LBPRGKRZSA-N 1 3 339.440 0.496 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662835712 439909571 /nfs/dbraw/zinc/90/95/71/439909571.db2.gz RPJJMICWKZYRIW-FMKPAKJESA-N 1 3 332.452 0.949 20 0 ECADHO CN(C)CCCS(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000631773135 439918490 /nfs/dbraw/zinc/91/84/90/439918490.db2.gz HDIPIQJLRQWDMG-UHFFFAOYSA-N 1 3 334.530 0.226 20 0 ECADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000641801835 439919218 /nfs/dbraw/zinc/91/92/18/439919218.db2.gz FPZVJZJNTCQEIH-HUUCEWRRSA-N 1 3 331.464 0.836 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626945646 439967677 /nfs/dbraw/zinc/96/76/77/439967677.db2.gz XADSFXJFISDAPK-MRXNPFEDSA-N 1 3 334.464 0.966 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662954391 439967981 /nfs/dbraw/zinc/96/79/81/439967981.db2.gz SFAMLAJUOBESRE-WBVHZDCISA-N 1 3 346.475 0.567 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662959958 439970626 /nfs/dbraw/zinc/97/06/26/439970626.db2.gz NHHYLFQIKNYRHO-INIZCTEOSA-N 1 3 332.448 0.179 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626966504 439973387 /nfs/dbraw/zinc/97/33/87/439973387.db2.gz WCPCVPCQCXKXIL-VXGBXAGGSA-N 1 3 340.390 0.733 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000642439700 439981665 /nfs/dbraw/zinc/98/16/65/439981665.db2.gz NLNMGOXRAOEJLC-MGPQQGTHSA-N 1 3 340.468 0.206 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000641988309 439938767 /nfs/dbraw/zinc/93/87/67/439938767.db2.gz WGNCKYXYMNDITJ-DLBZAZTESA-N 1 3 337.512 0.940 20 0 ECADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000652723090 439944541 /nfs/dbraw/zinc/94/45/41/439944541.db2.gz LIOQXJFPIHONGU-MRXNPFEDSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000662926065 439944743 /nfs/dbraw/zinc/94/47/43/439944743.db2.gz OWWHGCNWPKDAOW-UHFFFAOYSA-N 1 3 336.480 0.515 20 0 ECADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000662926065 439944746 /nfs/dbraw/zinc/94/47/46/439944746.db2.gz OWWHGCNWPKDAOW-UHFFFAOYSA-N 1 3 336.480 0.515 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)CCC[NH3+])c1 ZINC000662930184 439948596 /nfs/dbraw/zinc/94/85/96/439948596.db2.gz NCCIRUZMSLFWHT-UHFFFAOYSA-N 1 3 334.464 0.692 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642104412 439948664 /nfs/dbraw/zinc/94/86/64/439948664.db2.gz HUAVPWCLFBMSHX-MRXNPFEDSA-N 1 3 346.475 0.615 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000652732269 439951621 /nfs/dbraw/zinc/95/16/21/439951621.db2.gz HDTUMNARVTWJNE-UHFFFAOYSA-N 1 3 346.475 0.918 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000662944844 439959009 /nfs/dbraw/zinc/95/90/09/439959009.db2.gz VBQXSLQJADIYPF-PPKXHPOVSA-N 1 3 346.475 0.411 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000662944844 439959014 /nfs/dbraw/zinc/95/90/14/439959014.db2.gz VBQXSLQJADIYPF-PPKXHPOVSA-N 1 3 346.475 0.411 20 0 ECADHO CN(C)[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)Cc1ccccc1 ZINC000626921744 439960449 /nfs/dbraw/zinc/96/04/49/439960449.db2.gz HWSHCTJNLIFZEU-MRXNPFEDSA-N 1 3 334.464 0.966 20 0 ECADHO N[C@H](C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CCC1 ZINC000663017989 439992725 /nfs/dbraw/zinc/99/27/25/439992725.db2.gz UDKGMZCBJTYRCK-PBHICJAKSA-N 1 3 346.479 0.653 20 0 ECADHO [NH3+]C1(CC(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC1 ZINC000663017841 439993236 /nfs/dbraw/zinc/99/32/36/439993236.db2.gz RKPVDGFKOYAJPF-CYBMUJFWSA-N 1 3 332.452 0.407 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCC(C)CC1 ZINC000642644501 439996353 /nfs/dbraw/zinc/99/63/53/439996353.db2.gz UERIPYNVDSDZRN-OWCLPIDISA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000631958626 440010001 /nfs/dbraw/zinc/01/00/01/440010001.db2.gz YQNQGMXUJWGUFK-OAHLLOKOSA-N 1 3 333.498 0.358 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000627167952 440029246 /nfs/dbraw/zinc/02/92/46/440029246.db2.gz PVZGIBDPDMXLBR-LSDHHAIUSA-N 1 3 337.468 0.077 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000647285730 440034311 /nfs/dbraw/zinc/03/43/11/440034311.db2.gz OYYKCZPAAFNZCQ-AWEZNQCLSA-N 1 3 343.497 0.482 20 0 ECADHO CC(C)([NH3+])CC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663015359 439988813 /nfs/dbraw/zinc/98/88/13/439988813.db2.gz UEBOFQRXPXSYIW-CYBMUJFWSA-N 1 3 334.468 0.653 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCCN1CCC(O)CC1 ZINC000647517983 440062297 /nfs/dbraw/zinc/06/22/97/440062297.db2.gz ZLSACZMCLLLQOD-IBGZPJMESA-N 1 3 335.492 0.916 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000642921408 440065888 /nfs/dbraw/zinc/06/58/88/440065888.db2.gz DKIMORCDUGVIBQ-JKSUJKDBSA-N 1 3 332.448 0.792 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000636873099 440076474 /nfs/dbraw/zinc/07/64/74/440076474.db2.gz JVTOIWIXJIEYBM-HNNXBMFYSA-N 1 3 339.484 0.324 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643000305 440078834 /nfs/dbraw/zinc/07/88/34/440078834.db2.gz FBEXGNRTQXLBDT-WBVHZDCISA-N 1 3 346.475 0.834 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000658731799 440091698 /nfs/dbraw/zinc/09/16/98/440091698.db2.gz HKNYRVBVZGJZQM-SJORKVTESA-N 1 3 348.491 0.770 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627198431 440042685 /nfs/dbraw/zinc/04/26/85/440042685.db2.gz VFKPEFZQINSCDC-LSDHHAIUSA-N 1 3 339.484 0.323 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627206868 440044820 /nfs/dbraw/zinc/04/48/20/440044820.db2.gz MWABHUNANMQVLG-LSDHHAIUSA-N 1 3 325.501 0.842 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000642908484 440057895 /nfs/dbraw/zinc/05/78/95/440057895.db2.gz UOYLWODTIYNAHN-LLVKDONJSA-N 1 3 342.390 0.318 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000663614862 440120807 /nfs/dbraw/zinc/12/08/07/440120807.db2.gz BCYYITYNSKAMIQ-QGZVFWFLSA-N 1 3 334.420 0.434 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000618551029 440133747 /nfs/dbraw/zinc/13/37/47/440133747.db2.gz NHSSZUSBWMHCPR-HZPDHXFCSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000618551029 440133750 /nfs/dbraw/zinc/13/37/50/440133750.db2.gz NHSSZUSBWMHCPR-HZPDHXFCSA-N 1 3 325.501 0.652 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cn1 ZINC000632144895 440098210 /nfs/dbraw/zinc/09/82/10/440098210.db2.gz OXSYQVIIHWHCNU-UHFFFAOYSA-N 1 3 337.468 0.364 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cn1 ZINC000632144895 440098217 /nfs/dbraw/zinc/09/82/17/440098217.db2.gz OXSYQVIIHWHCNU-UHFFFAOYSA-N 1 3 337.468 0.364 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@@H]1CCN(CC3CC3)C1)C2 ZINC000627380666 440168244 /nfs/dbraw/zinc/16/82/44/440168244.db2.gz VTTWFVMHBOGOHH-OLMNPRSZSA-N 1 3 334.464 0.045 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627428845 440197987 /nfs/dbraw/zinc/19/79/87/440197987.db2.gz PXKDPWJONYBXLL-GJZGRUSLSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663680383 440151062 /nfs/dbraw/zinc/15/10/62/440151062.db2.gz GKOJDGDRZDSRLI-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000663680383 440151068 /nfs/dbraw/zinc/15/10/68/440151068.db2.gz GKOJDGDRZDSRLI-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000653396952 440153890 /nfs/dbraw/zinc/15/38/90/440153890.db2.gz JMBXHEDNHFKWDG-CABCVRRESA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000653396952 440153893 /nfs/dbraw/zinc/15/38/93/440153893.db2.gz JMBXHEDNHFKWDG-CABCVRRESA-N 1 3 326.485 0.679 20 0 ECADHO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659038620 440212238 /nfs/dbraw/zinc/21/22/38/440212238.db2.gz UFWYZRZZRKHHNS-WBVHZDCISA-N 1 3 334.420 0.536 20 0 ECADHO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659038620 440212246 /nfs/dbraw/zinc/21/22/46/440212246.db2.gz UFWYZRZZRKHHNS-WBVHZDCISA-N 1 3 334.420 0.536 20 0 ECADHO CN(C/C=C/C[N@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCC(=O)N(C)C1 ZINC000653698727 440232043 /nfs/dbraw/zinc/23/20/43/440232043.db2.gz CVCMLSKRWLBZJA-DOOVEFGSSA-N 1 3 336.480 0.648 20 0 ECADHO CN(C/C=C/C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCC(=O)N(C)C1 ZINC000653698727 440232050 /nfs/dbraw/zinc/23/20/50/440232050.db2.gz CVCMLSKRWLBZJA-DOOVEFGSSA-N 1 3 336.480 0.648 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000643531902 440202789 /nfs/dbraw/zinc/20/27/89/440202789.db2.gz USBHTXJYPDHQEC-SJORKVTESA-N 1 3 344.459 0.527 20 0 ECADHO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H]1O ZINC000647993721 440208581 /nfs/dbraw/zinc/20/85/81/440208581.db2.gz MCXAPLORXXBBTF-IKGGRYGDSA-N 1 3 332.448 0.577 20 0 ECADHO CC(C)N1CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1=O ZINC000664126055 440241148 /nfs/dbraw/zinc/24/11/48/440241148.db2.gz ABRYRJYLYFHKKM-GJZGRUSLSA-N 1 3 341.500 0.567 20 0 ECADHO CC(C)N1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1=O ZINC000664126055 440241152 /nfs/dbraw/zinc/24/11/52/440241152.db2.gz ABRYRJYLYFHKKM-GJZGRUSLSA-N 1 3 341.500 0.567 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)C3([NH3+])Cc4ccccc4C3)C2)nn1 ZINC000648177758 440253159 /nfs/dbraw/zinc/25/31/59/440253159.db2.gz SSTYZCVKHOOXPM-INIZCTEOSA-N 1 3 340.431 0.397 20 0 ECADHO CCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCN(C)C1 ZINC000664175915 440250619 /nfs/dbraw/zinc/25/06/19/440250619.db2.gz RWPKVFQEECTYBM-GJZGRUSLSA-N 1 3 339.484 0.309 20 0 ECADHO CCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCN(C)C1 ZINC000664175915 440250623 /nfs/dbraw/zinc/25/06/23/440250623.db2.gz RWPKVFQEECTYBM-GJZGRUSLSA-N 1 3 339.484 0.309 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc(-n2cccn2)nc(N)n1 ZINC000664196547 440257852 /nfs/dbraw/zinc/25/78/52/440257852.db2.gz LCPLDCGOHVAUNM-ZDUSSCGKSA-N 1 3 332.456 0.928 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc(-n2cccn2)nc(N)n1 ZINC000664196547 440257857 /nfs/dbraw/zinc/25/78/57/440257857.db2.gz LCPLDCGOHVAUNM-ZDUSSCGKSA-N 1 3 332.456 0.928 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc(-n2cccn2)nc(N)n1 ZINC000664196547 440257862 /nfs/dbraw/zinc/25/78/62/440257862.db2.gz LCPLDCGOHVAUNM-ZDUSSCGKSA-N 1 3 332.456 0.928 20 0 ECADHO NC1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC2(CCC2)C1 ZINC000659311054 440296846 /nfs/dbraw/zinc/29/68/46/440296846.db2.gz HCIQCKOJYQGUFH-NSHDSACASA-N 1 3 334.386 0.600 20 0 ECADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000654395779 440306887 /nfs/dbraw/zinc/30/68/87/440306887.db2.gz TVRMAKRXCKXNBR-KYHPRHEASA-N 1 3 338.496 0.957 20 0 ECADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654397916 440309678 /nfs/dbraw/zinc/30/96/78/440309678.db2.gz ISUJVUQNUXOKNQ-OWCLPIDISA-N 1 3 338.496 0.957 20 0 ECADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654397916 440309684 /nfs/dbraw/zinc/30/96/84/440309684.db2.gz ISUJVUQNUXOKNQ-OWCLPIDISA-N 1 3 338.496 0.957 20 0 ECADHO CN1CC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000654509785 440337358 /nfs/dbraw/zinc/33/73/58/440337358.db2.gz NFBOETGMIVMVNL-MHORFTMASA-N 1 3 344.459 0.892 20 0 ECADHO CN1CC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000654509785 440337361 /nfs/dbraw/zinc/33/73/61/440337361.db2.gz NFBOETGMIVMVNL-MHORFTMASA-N 1 3 344.459 0.892 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N[C@H](C[NH3+])C3CC3)ccc2[nH]c1=O ZINC000637855744 440348932 /nfs/dbraw/zinc/34/89/32/440348932.db2.gz RMVDJZQIGAYNPU-CQSZACIVSA-N 1 3 331.420 0.771 20 0 ECADHO CCCN1CC[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000664540608 440326995 /nfs/dbraw/zinc/32/69/95/440326995.db2.gz YUVXOMBFVZJGAM-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000637753320 440330862 /nfs/dbraw/zinc/33/08/62/440330862.db2.gz QRWNQDKCPQQUPS-IAGOWNOFSA-N 1 3 337.512 0.798 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000633039812 440417699 /nfs/dbraw/zinc/41/76/99/440417699.db2.gz UPNDGACOARUXNZ-AAEUAGOBSA-N 1 3 334.420 0.643 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000659681095 440417836 /nfs/dbraw/zinc/41/78/36/440417836.db2.gz PIRNOSOLUSRTBD-RBSFLKMASA-N 1 3 326.485 0.713 20 0 ECADHO COc1cc(CNC(=O)[C@@H]2OCC[C@@H]2N)ccc1OCC[NH+](C)C ZINC000638077109 440424968 /nfs/dbraw/zinc/42/49/68/440424968.db2.gz PKMBOWVIKSFLDO-XJKSGUPXSA-N 1 3 337.420 0.368 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)[C@@]2(C[NH3+])CCCOC2)C[C@@H](C)O1 ZINC000638075139 440426669 /nfs/dbraw/zinc/42/66/69/440426669.db2.gz CFOSLDPGZQIERO-BFYDXBDKSA-N 1 3 327.469 0.748 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)n1 ZINC000659629173 440381992 /nfs/dbraw/zinc/38/19/92/440381992.db2.gz PGLXSXLSTNJDNB-GXTWGEPZSA-N 1 3 348.451 0.705 20 0 ECADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)C1 ZINC000659629574 440382278 /nfs/dbraw/zinc/38/22/78/440382278.db2.gz HFGBJXVDEDYXFN-INIZCTEOSA-N 1 3 334.424 0.268 20 0 ECADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)C1 ZINC000659629574 440382282 /nfs/dbraw/zinc/38/22/82/440382282.db2.gz HFGBJXVDEDYXFN-INIZCTEOSA-N 1 3 334.424 0.268 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000659632991 440387205 /nfs/dbraw/zinc/38/72/05/440387205.db2.gz NXQYZPDGTNDFIO-CQSZACIVSA-N 1 3 348.451 0.801 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659727170 440465529 /nfs/dbraw/zinc/46/55/29/440465529.db2.gz HUUQRYXBLIAFGC-TUVASFSCSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C)CCn1cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cn1 ZINC000638153588 440465741 /nfs/dbraw/zinc/46/57/41/440465741.db2.gz IDJMVVRGRPPWOX-CQSZACIVSA-N 1 3 328.420 0.908 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCc3ccc4c(c3)CNC4)C[C@H]2[NH3+])cn1 ZINC000644198999 440469522 /nfs/dbraw/zinc/46/95/22/440469522.db2.gz NHALESRKSWSLRD-DLBZAZTESA-N 1 3 340.431 0.660 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659699457 440430884 /nfs/dbraw/zinc/43/08/84/440430884.db2.gz TXOGMVIQBYXUBR-KSTDHSDQSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659699457 440430890 /nfs/dbraw/zinc/43/08/90/440430890.db2.gz TXOGMVIQBYXUBR-KSTDHSDQSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000633080689 440433223 /nfs/dbraw/zinc/43/32/23/440433223.db2.gz GDNRBWNGJSTFKG-HZPDHXFCSA-N 1 3 336.480 0.803 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659701772 440436456 /nfs/dbraw/zinc/43/64/56/440436456.db2.gz JJWXOSCXNQBZOY-UHFFFAOYSA-N 1 3 332.448 0.752 20 0 ECADHO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@H]1CN1CCCC1 ZINC000649309549 440455255 /nfs/dbraw/zinc/45/52/55/440455255.db2.gz WKGGNMYFXGXLDI-GJZGRUSLSA-N 1 3 332.452 0.731 20 0 ECADHO CN(C)CCn1cc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)cn1 ZINC000649312323 440456946 /nfs/dbraw/zinc/45/69/46/440456946.db2.gz HOQGVXOSVVOWIU-UHFFFAOYSA-N 1 3 331.424 0.359 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659722009 440459209 /nfs/dbraw/zinc/45/92/09/440459209.db2.gz JLOMRMXUVFZJCG-GJZGRUSLSA-N 1 3 342.484 0.189 20 0 ECADHO COC[C@@]1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CCCCN1 ZINC000638259062 440489298 /nfs/dbraw/zinc/48/92/98/440489298.db2.gz BABODHFPTKQDNB-HLLBOEOZSA-N 1 3 325.453 0.500 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@](C)(CO)OC)CC2)CC1 ZINC000655218773 440506066 /nfs/dbraw/zinc/50/60/66/440506066.db2.gz SBHLVWMQWBLIIT-SFHVURJKSA-N 1 3 341.496 0.696 20 0 ECADHO CN(C)CCN1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638357015 440520782 /nfs/dbraw/zinc/52/07/82/440520782.db2.gz UEZMSMKTFDDAJK-UHFFFAOYSA-N 1 3 340.493 0.450 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665763165 440523223 /nfs/dbraw/zinc/52/32/23/440523223.db2.gz ZKPKBDNOCZHACL-HOTGVXAUSA-N 1 3 327.517 0.994 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](OCCO)C1 ZINC000665761615 440525959 /nfs/dbraw/zinc/52/59/59/440525959.db2.gz KHLIVEFNZSRIGS-HOTGVXAUSA-N 1 3 344.500 0.441 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](OCCO)C1 ZINC000665761615 440525965 /nfs/dbraw/zinc/52/59/65/440525965.db2.gz KHLIVEFNZSRIGS-HOTGVXAUSA-N 1 3 344.500 0.441 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@](C)(O)C(F)(F)F ZINC000665761940 440526234 /nfs/dbraw/zinc/52/62/34/440526234.db2.gz VJNRXMPQAWIHDF-WCQYABFASA-N 1 3 342.406 0.871 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@](C)(O)C(F)(F)F ZINC000665761940 440526241 /nfs/dbraw/zinc/52/62/41/440526241.db2.gz VJNRXMPQAWIHDF-WCQYABFASA-N 1 3 342.406 0.871 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000665763943 440529035 /nfs/dbraw/zinc/52/90/35/440529035.db2.gz PQXAMXYSSYOSGM-ARFHVFGLSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000665763943 440529042 /nfs/dbraw/zinc/52/90/42/440529042.db2.gz PQXAMXYSSYOSGM-ARFHVFGLSA-N 1 3 326.485 0.936 20 0 ECADHO CC(=O)N[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665764010 440530121 /nfs/dbraw/zinc/53/01/21/440530121.db2.gz RJRMQJLGPRIRPT-ZFWWWQNUSA-N 1 3 327.473 0.178 20 0 ECADHO CC(=O)N[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665764010 440530128 /nfs/dbraw/zinc/53/01/28/440530128.db2.gz RJRMQJLGPRIRPT-ZFWWWQNUSA-N 1 3 327.473 0.178 20 0 ECADHO COCC1(CNC(=O)[C@H](N)CN(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000638223972 440480792 /nfs/dbraw/zinc/48/07/92/440480792.db2.gz BPHJWDRRWGSTQG-QGZVFWFLSA-N 1 3 348.491 0.578 20 0 ECADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649351029 440481905 /nfs/dbraw/zinc/48/19/05/440481905.db2.gz FJZHYFGZUJGSHE-BWTSREIZSA-N 1 3 342.487 0.776 20 0 ECADHO COC[C@]1(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)CC[NH2+]C1 ZINC000638526523 440561889 /nfs/dbraw/zinc/56/18/89/440561889.db2.gz LUIKQCKZBVSWLV-SFHVURJKSA-N 1 3 348.447 0.543 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NCCOCC[NH2+]C)cc2)CC1 ZINC000638578839 440571954 /nfs/dbraw/zinc/57/19/54/440571954.db2.gz RIFDFOQKXGJWRE-UHFFFAOYSA-N 1 3 334.464 0.794 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000638698672 440605316 /nfs/dbraw/zinc/60/53/16/440605316.db2.gz LWJBLKOMGFLBSV-JKSUJKDBSA-N 1 3 325.501 0.925 20 0 ECADHO [NH3+]CCCn1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000638803247 440630108 /nfs/dbraw/zinc/63/01/08/440630108.db2.gz JPRMBXDCNFFGQX-INIZCTEOSA-N 1 3 342.447 0.879 20 0 ECADHO CC[C@H](C(=O)N1CC2CN(C(=O)[C@@H](CC)[NH+](C)C)CC2C1)N(C)C ZINC000650400163 440633588 /nfs/dbraw/zinc/63/35/88/440633588.db2.gz QFDJIJCWFQCDKT-QDIHITRGSA-N 1 3 338.496 0.584 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000660335866 440637046 /nfs/dbraw/zinc/63/70/46/440637046.db2.gz FRFHEVQFXIQODP-INIZCTEOSA-N 1 3 325.501 0.798 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000660335866 440637051 /nfs/dbraw/zinc/63/70/51/440637051.db2.gz FRFHEVQFXIQODP-INIZCTEOSA-N 1 3 325.501 0.798 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2CCC2)C1 ZINC000666494321 440648177 /nfs/dbraw/zinc/64/81/77/440648177.db2.gz RUWSOEGLWXDTMV-MRXNPFEDSA-N 1 3 338.496 0.587 20 0 ECADHO CN(C)CCN1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1=O ZINC000650559577 440653381 /nfs/dbraw/zinc/65/33/81/440653381.db2.gz BJEBZSCUVYZAMP-UHFFFAOYSA-N 1 3 339.484 0.276 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000655973837 440664875 /nfs/dbraw/zinc/66/48/75/440664875.db2.gz JDAPREMXAAXGEY-ZACQAIPSSA-N 1 3 335.496 0.692 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000650669599 440667528 /nfs/dbraw/zinc/66/75/28/440667528.db2.gz IZVJSBLATQIVDO-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000650669599 440667531 /nfs/dbraw/zinc/66/75/31/440667531.db2.gz IZVJSBLATQIVDO-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC000639043573 440668150 /nfs/dbraw/zinc/66/81/50/440668150.db2.gz TWEDGRQPZSMTEY-FPCVCCKLSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@@H](CCO)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000650798623 440682554 /nfs/dbraw/zinc/68/25/54/440682554.db2.gz DDAJRHFWFJXVCX-AWEZNQCLSA-N 1 3 326.485 0.957 20 0 ECADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660584950 440684583 /nfs/dbraw/zinc/68/45/83/440684583.db2.gz NPUHHENIIOJHKX-INIZCTEOSA-N 1 3 326.485 0.986 20 0 ECADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660584950 440684586 /nfs/dbraw/zinc/68/45/86/440684586.db2.gz NPUHHENIIOJHKX-INIZCTEOSA-N 1 3 326.485 0.986 20 0 ECADHO O[C@]1(CNCCN2CCCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634710577 440694302 /nfs/dbraw/zinc/69/43/02/440694302.db2.gz ATUXYHLMSWLANF-IBGZPJMESA-N 1 3 333.476 0.935 20 0 ECADHO O[C@]1(CNCCN2CCCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634710577 440694307 /nfs/dbraw/zinc/69/43/07/440694307.db2.gz ATUXYHLMSWLANF-IBGZPJMESA-N 1 3 333.476 0.935 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(S(N)(=O)=O)cc1 ZINC000639307091 440702593 /nfs/dbraw/zinc/70/25/93/440702593.db2.gz NNQOAPAJDJPUSK-AWEZNQCLSA-N 1 3 342.509 0.696 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028894 440699493 /nfs/dbraw/zinc/69/94/93/440699493.db2.gz SXYHERBZELBKMH-FZKCQIBNSA-N 1 3 336.480 0.705 20 0 ECADHO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000666973969 440715506 /nfs/dbraw/zinc/71/55/06/440715506.db2.gz GQXDERNJUJXBGB-SJORKVTESA-N 1 3 334.464 0.895 20 0 ECADHO C[NH2+]CCOCCN[C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000629531001 440717857 /nfs/dbraw/zinc/71/78/57/440717857.db2.gz XETNMUZZYWGOOL-CYBMUJFWSA-N 1 3 329.466 0.837 20 0 ECADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](NCCOCCC[NH3+])CCC2 ZINC000629540060 440723253 /nfs/dbraw/zinc/72/32/53/440723253.db2.gz SKECHEOBIAAODC-HNNXBMFYSA-N 1 3 327.450 0.666 20 0 ECADHO CCCNC(=O)CN1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629554185 440724908 /nfs/dbraw/zinc/72/49/08/440724908.db2.gz BXAZZBCDPCEZEI-INIZCTEOSA-N 1 3 326.485 0.023 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000629615455 440744054 /nfs/dbraw/zinc/74/40/54/440744054.db2.gz PGEGUTJKFRGTNK-ZNMIVQPWSA-N 1 3 337.468 0.073 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCC1 ZINC000656327219 440770784 /nfs/dbraw/zinc/77/07/84/440770784.db2.gz COYBYYPEIOIQLK-LSDHHAIUSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656337219 440777165 /nfs/dbraw/zinc/77/71/65/440777165.db2.gz PWVUZVYKQUIAFA-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO CN1c2ccccc2C[C@H]([NH2+]C[C@H]2CCCN(C(=O)CN)C2)C1=O ZINC000656787180 440849152 /nfs/dbraw/zinc/84/91/52/440849152.db2.gz FWHBNOZQNXQZNC-HIFRSBDPSA-N 1 3 330.432 0.361 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)COCC[NH3+])cc2)CC1 ZINC000645507206 440824208 /nfs/dbraw/zinc/82/42/08/440824208.db2.gz FWMYLKHXURRVQS-UHFFFAOYSA-N 1 3 334.464 0.416 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635489351 440870994 /nfs/dbraw/zinc/87/09/94/440870994.db2.gz YYDGJITYBRANAE-GOEBONIOSA-N 1 3 336.480 0.707 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635489351 440870997 /nfs/dbraw/zinc/87/09/97/440870997.db2.gz YYDGJITYBRANAE-GOEBONIOSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)c1 ZINC000645896653 440944044 /nfs/dbraw/zinc/94/40/44/440944044.db2.gz ONEOPRUFVNMKBI-OAHLLOKOSA-N 1 3 332.448 0.592 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635703638 440954570 /nfs/dbraw/zinc/95/45/70/440954570.db2.gz MQYMWRZFUNSJCF-IRXDYDNUSA-N 1 3 348.491 0.768 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635703638 440954576 /nfs/dbraw/zinc/95/45/76/440954576.db2.gz MQYMWRZFUNSJCF-IRXDYDNUSA-N 1 3 348.491 0.768 20 0 ECADHO CCOc1ccnc(N2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662285553 441003029 /nfs/dbraw/zinc/00/30/29/441003029.db2.gz LJVNAGXXPNXBSA-HNNXBMFYSA-N 1 3 347.463 0.908 20 0 ECADHO CC(=O)N1CCN(C(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662296127 441006549 /nfs/dbraw/zinc/00/65/49/441006549.db2.gz WFKOIVCFTHHKGS-QGZVFWFLSA-N 1 3 336.480 0.389 20 0 ECADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662299251 441007183 /nfs/dbraw/zinc/00/71/83/441007183.db2.gz WDLXGMWDSVRXCA-RVKKMQEKSA-N 1 3 331.416 0.074 20 0 ECADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662299251 441007188 /nfs/dbraw/zinc/00/71/88/441007188.db2.gz WDLXGMWDSVRXCA-RVKKMQEKSA-N 1 3 331.416 0.074 20 0 ECADHO CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317075 441010302 /nfs/dbraw/zinc/01/03/02/441010302.db2.gz ZGDZTHDFDSNYHA-HUUCEWRRSA-N 1 3 326.485 0.810 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000662390749 441028538 /nfs/dbraw/zinc/02/85/38/441028538.db2.gz QETSKAANJOWJMG-UHFFFAOYSA-N 1 3 332.408 0.107 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652241833 441038318 /nfs/dbraw/zinc/03/83/18/441038318.db2.gz AOGQOJOIZSXJPB-UHFFFAOYSA-N 1 3 339.484 0.311 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(Cn2cnnc2)CC1 ZINC000652353661 441057825 /nfs/dbraw/zinc/05/78/25/441057825.db2.gz ZLKILEXFZIVNNL-ROUUACIJSA-N 1 3 329.448 0.921 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000652353661 441057829 /nfs/dbraw/zinc/05/78/29/441057829.db2.gz ZLKILEXFZIVNNL-ROUUACIJSA-N 1 3 329.448 0.921 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC(C)CC1)C(C)(C)C[NH+](C)C ZINC000340202647 321020878 /nfs/dbraw/zinc/02/08/78/321020878.db2.gz OBZZTTPJYGNUCH-HNNXBMFYSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)CN1C1CC1 ZINC000340203388 321021302 /nfs/dbraw/zinc/02/13/02/321021302.db2.gz MTOFSBVYXNEWFM-CABCVRRESA-N 1 3 336.480 0.576 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000340208762 321022250 /nfs/dbraw/zinc/02/22/50/321022250.db2.gz OOAYUVVCBWLNCC-INIZCTEOSA-N 1 3 338.496 0.635 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000340208762 321022252 /nfs/dbraw/zinc/02/22/52/321022252.db2.gz OOAYUVVCBWLNCC-INIZCTEOSA-N 1 3 338.496 0.635 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340213620 321023071 /nfs/dbraw/zinc/02/30/71/321023071.db2.gz CBTTYEQOOMZBHX-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340213620 321023072 /nfs/dbraw/zinc/02/30/72/321023072.db2.gz CBTTYEQOOMZBHX-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000340256288 321030566 /nfs/dbraw/zinc/03/05/66/321030566.db2.gz PIHXNDKRGUHDEM-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340262950 321031778 /nfs/dbraw/zinc/03/17/78/321031778.db2.gz ZIVIWMVPSLPYLF-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340262950 321031780 /nfs/dbraw/zinc/03/17/80/321031780.db2.gz ZIVIWMVPSLPYLF-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000340265567 321032621 /nfs/dbraw/zinc/03/26/21/321032621.db2.gz IJIBYLUHJSDGFZ-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)CN1CCN(C)CC1 ZINC000341242438 321052627 /nfs/dbraw/zinc/05/26/27/321052627.db2.gz UNLZOFCDSLAETM-MRXNPFEDSA-N 1 3 339.528 0.853 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(CCOC)CC[NH+](C)C ZINC000341987330 321071067 /nfs/dbraw/zinc/07/10/67/321071067.db2.gz AGEOBMAKIRJZEO-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N(C)C1CC1 ZINC000341987569 321071191 /nfs/dbraw/zinc/07/11/91/321071191.db2.gz YOLKKQBTRACRNK-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N(C)C1CC1 ZINC000341987569 321071193 /nfs/dbraw/zinc/07/11/93/321071193.db2.gz YOLKKQBTRACRNK-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000342903399 321109452 /nfs/dbraw/zinc/10/94/52/321109452.db2.gz LILRYTKMQUPJCD-HIFRSBDPSA-N 1 3 338.496 0.964 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000343016279 321116743 /nfs/dbraw/zinc/11/67/43/321116743.db2.gz UEOHBGHQPUNCJM-CQSZACIVSA-N 1 3 342.484 0.060 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2C)CC1 ZINC000344523280 321153821 /nfs/dbraw/zinc/15/38/21/321153821.db2.gz XICZWTOZYYMTFI-HNNXBMFYSA-N 1 3 339.484 0.323 20 0 ECADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H](N)CC(F)F)c1 ZINC000345705329 321197403 /nfs/dbraw/zinc/19/74/03/321197403.db2.gz GAWOJWKEGJNWSR-CYBMUJFWSA-N 1 3 342.390 0.577 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000351855459 321338526 /nfs/dbraw/zinc/33/85/26/321338526.db2.gz TXMITGMIKJNJRC-NWDGAFQWSA-N 1 3 340.449 0.332 20 0 ECADHO CN1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[C@H]1c1ccccc1 ZINC000545883223 322110516 /nfs/dbraw/zinc/11/05/16/322110516.db2.gz BDFDZFUCIIBFQO-JZXOWHBKSA-N 1 3 332.448 0.798 20 0 ECADHO CN1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000545883223 322110519 /nfs/dbraw/zinc/11/05/19/322110519.db2.gz BDFDZFUCIIBFQO-JZXOWHBKSA-N 1 3 332.448 0.798 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000561243401 322257561 /nfs/dbraw/zinc/25/75/61/322257561.db2.gz KFRVASYCVNGABC-SOUVJXGZSA-N 1 3 326.485 0.585 20 0 ECADHO CC[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000562692473 322281327 /nfs/dbraw/zinc/28/13/27/322281327.db2.gz RUCASHVDNNZEBY-HNNXBMFYSA-N 1 3 326.485 0.587 20 0 ECADHO CN1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])[C@H]1c1ccccc1 ZINC000563587856 322330262 /nfs/dbraw/zinc/33/02/62/322330262.db2.gz CUFXPWHSDMSMPG-BRWVUGGUSA-N 1 3 331.464 0.716 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])o1 ZINC000563624188 322334850 /nfs/dbraw/zinc/33/48/50/322334850.db2.gz LVEMTAPNBNVGPH-STQMWFEESA-N 1 3 338.452 0.720 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000563639009 322336352 /nfs/dbraw/zinc/33/63/52/322336352.db2.gz YGNKJMASCVKHKE-JYJNAYRXSA-N 1 3 338.496 0.727 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000564349101 322371709 /nfs/dbraw/zinc/37/17/09/322371709.db2.gz JQOWYCGBMBDXQX-HNNXBMFYSA-N 1 3 333.436 0.139 20 0 ECADHO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)C(=O)NCCN1CCCCC1 ZINC000564656310 322385597 /nfs/dbraw/zinc/38/55/97/322385597.db2.gz XKXUIJIXFODGDS-CQSZACIVSA-N 1 3 332.448 0.866 20 0 ECADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000569447801 322653792 /nfs/dbraw/zinc/65/37/92/322653792.db2.gz UXOWASRTMWCFGO-JKSUJKDBSA-N 1 3 336.480 0.661 20 0 ECADHO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC2CNC2)cc1 ZINC000576209822 322803313 /nfs/dbraw/zinc/80/33/13/322803313.db2.gz XVPDBWLTKBRHMM-UHFFFAOYSA-N 1 3 334.420 0.434 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1cscn1 ZINC000578855245 322877146 /nfs/dbraw/zinc/87/71/46/322877146.db2.gz PQFZJZBVJUYULI-UHFFFAOYSA-N 1 3 341.481 0.053 20 0 ECADHO C[C@H](O)CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000131226690 534088210 /nfs/dbraw/zinc/08/82/10/534088210.db2.gz NCOXURILTBHVFR-KBPBESRZSA-N 1 3 343.493 0.948 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000310995010 545988832 /nfs/dbraw/zinc/98/88/32/545988832.db2.gz ILFFJFDVISLDLZ-MRXNPFEDSA-N 1 3 342.447 0.879 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000342993946 546090825 /nfs/dbraw/zinc/09/08/25/546090825.db2.gz UPSHSWBMDCGWME-CQSZACIVSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)N1CCCCC1 ZINC000621837848 546571169 /nfs/dbraw/zinc/57/11/69/546571169.db2.gz RQQJXDLRQRPLPA-KBXCAEBGSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621848620 546576957 /nfs/dbraw/zinc/57/69/57/546576957.db2.gz CRXFXVILAOTEQR-MPGHIAIKSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622026542 546607912 /nfs/dbraw/zinc/60/79/12/546607912.db2.gz MFDKNXJZBRGMQC-DDUZABMNSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1C[C@H](CCNc2nc(N)nc(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000624061202 546874567 /nfs/dbraw/zinc/87/45/67/546874567.db2.gz XEFRAILDLSIGPB-OCCSQVGLSA-N 1 3 327.436 0.831 20 0 ECADHO C[C@@H]1C[C@H](CCNc2nc(N)nc(N)n2)C[N@H+]1Cc1ccccc1 ZINC000624061202 546874570 /nfs/dbraw/zinc/87/45/70/546874570.db2.gz XEFRAILDLSIGPB-OCCSQVGLSA-N 1 3 327.436 0.831 20 0 ECADHO C[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@@H+](C2CCC2)C1 ZINC000659631004 547446685 /nfs/dbraw/zinc/44/66/85/547446685.db2.gz YSFNXPXHZSCIPK-GFCCVEGCSA-N 1 3 348.451 0.657 20 0 ECADHO C[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@H+](C2CCC2)C1 ZINC000659631004 547446691 /nfs/dbraw/zinc/44/66/91/547446691.db2.gz YSFNXPXHZSCIPK-GFCCVEGCSA-N 1 3 348.451 0.657 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000667260620 547491063 /nfs/dbraw/zinc/49/10/63/547491063.db2.gz GMPXOEYSIKPALB-AWEZNQCLSA-N 1 3 348.447 0.763 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC3C[NH2+]C3)c(C)c2)CC1 ZINC000667320569 547500035 /nfs/dbraw/zinc/50/00/35/547500035.db2.gz GGXQQYMVOPINNF-UHFFFAOYSA-N 1 3 345.447 0.163 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cn(C)nn1 ZINC000667812423 547559791 /nfs/dbraw/zinc/55/97/91/547559791.db2.gz MBKNLPFICGYJMM-MRXNPFEDSA-N 1 3 336.484 0.622 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cn(C)nn1 ZINC000667812423 547559792 /nfs/dbraw/zinc/55/97/92/547559792.db2.gz MBKNLPFICGYJMM-MRXNPFEDSA-N 1 3 336.484 0.622 20 0 ECADHO CCN(C(=O)C(=O)NCCC[NH+]1CCCCC1)[C@H]1CCN(CC)C1 ZINC000668397643 547645783 /nfs/dbraw/zinc/64/57/83/547645783.db2.gz KVMYNTLIDUZZTQ-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)C[NH+]1CCCC1 ZINC000668581493 547692269 /nfs/dbraw/zinc/69/22/69/547692269.db2.gz FJJGJEUFFQLPDX-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CCC)C2)CC1 ZINC000668713510 547733234 /nfs/dbraw/zinc/73/32/34/547733234.db2.gz RWMPDMQKXSECRB-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000668752968 547741773 /nfs/dbraw/zinc/74/17/73/547741773.db2.gz ZEAAFHGFQMOFLI-ZFWWWQNUSA-N 1 3 338.496 0.822 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000669183282 547846989 /nfs/dbraw/zinc/84/69/89/547846989.db2.gz MVHCMUPWQXCKMO-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000669529770 547903469 /nfs/dbraw/zinc/90/34/69/547903469.db2.gz BODPHKHYGUDVHG-GJZGRUSLSA-N 1 3 339.484 0.357 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000669573413 547908212 /nfs/dbraw/zinc/90/82/12/547908212.db2.gz HLKZBIBTMUOLIE-HOTGVXAUSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C1CC1 ZINC000670442118 548011436 /nfs/dbraw/zinc/01/14/36/548011436.db2.gz MNUXEBMXLIEXOC-KQTLUZQSSA-N 1 3 334.464 0.423 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C1CC1 ZINC000670442118 548011438 /nfs/dbraw/zinc/01/14/38/548011438.db2.gz MNUXEBMXLIEXOC-KQTLUZQSSA-N 1 3 334.464 0.423 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671183134 548107819 /nfs/dbraw/zinc/10/78/19/548107819.db2.gz MOAAFCRAOFFXJR-WCVJEAGWSA-N 1 3 334.464 0.425 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671183134 548107822 /nfs/dbraw/zinc/10/78/22/548107822.db2.gz MOAAFCRAOFFXJR-WCVJEAGWSA-N 1 3 334.464 0.425 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672012014 548254484 /nfs/dbraw/zinc/25/44/84/548254484.db2.gz YZRIIOAQAWLZRM-GOEBONIOSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672013643 548255413 /nfs/dbraw/zinc/25/54/13/548255413.db2.gz FTDDDUVXYZMVRR-YCPHGPKFSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000672013800 548256141 /nfs/dbraw/zinc/25/61/41/548256141.db2.gz NSEVRAPOYIRKIU-UONOGXRCSA-N 1 3 336.480 0.600 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672307049 548303465 /nfs/dbraw/zinc/30/34/65/548303465.db2.gz JPFGZBPCRVHVED-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672307049 548303466 /nfs/dbraw/zinc/30/34/66/548303466.db2.gz JPFGZBPCRVHVED-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672311945 548309750 /nfs/dbraw/zinc/30/97/50/548309750.db2.gz WGVAPMFFBZGTLL-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672311945 548309755 /nfs/dbraw/zinc/30/97/55/548309755.db2.gz WGVAPMFFBZGTLL-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC23CCN(C)CC3)CC[N@@H+]1C ZINC000672593386 548358236 /nfs/dbraw/zinc/35/82/36/548358236.db2.gz STCZMYUEEKYEBQ-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC23CCN(C)CC3)CC[N@H+]1C ZINC000672593386 548358240 /nfs/dbraw/zinc/35/82/40/548358240.db2.gz STCZMYUEEKYEBQ-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000673123282 548448669 /nfs/dbraw/zinc/44/86/69/548448669.db2.gz YMQHIQQPOHNUNT-UCHQMPSGSA-N 1 3 348.491 0.813 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000673123282 548448671 /nfs/dbraw/zinc/44/86/71/548448671.db2.gz YMQHIQQPOHNUNT-UCHQMPSGSA-N 1 3 348.491 0.813 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000676088625 548786780 /nfs/dbraw/zinc/78/67/80/548786780.db2.gz CQMQUDNRPWSHRV-HUUCEWRRSA-N 1 3 348.451 0.126 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000676088625 548786784 /nfs/dbraw/zinc/78/67/84/548786784.db2.gz CQMQUDNRPWSHRV-HUUCEWRRSA-N 1 3 348.451 0.126 20 0 ECADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000677059241 548896652 /nfs/dbraw/zinc/89/66/52/548896652.db2.gz YKIXZUVGDYCKRL-SJORKVTESA-N 1 3 346.475 0.343 20 0 ECADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000677059241 548896656 /nfs/dbraw/zinc/89/66/56/548896656.db2.gz YKIXZUVGDYCKRL-SJORKVTESA-N 1 3 346.475 0.343 20 0 ECADHO CCCN1CCC([NH2+]CCNS(=O)(=O)c2cccnc2)CC1 ZINC000678772887 549049291 /nfs/dbraw/zinc/04/92/91/549049291.db2.gz SOSFLRXPILTNLR-UHFFFAOYSA-N 1 3 326.466 0.824 20 0 ECADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000685233523 549669110 /nfs/dbraw/zinc/66/91/10/549669110.db2.gz SGTSKQSJLZGDSW-LSDHHAIUSA-N 1 3 342.484 0.012 20 0 ECADHO CCN(CC)CC(=O)NC[C@H]1CCCN1C(=O)C[NH+](CC)CC ZINC000749374035 579337332 /nfs/dbraw/zinc/33/73/32/579337332.db2.gz LOBFQRWAWMNLCZ-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC000749374035 579337333 /nfs/dbraw/zinc/33/73/33/579337333.db2.gz LOBFQRWAWMNLCZ-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO O=C(NCCNc1cc[nH+]cc1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734281420 578355836 /nfs/dbraw/zinc/35/58/36/578355836.db2.gz JGHSBZYUEWORAA-QGZVFWFLSA-N 1 3 347.463 0.858 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCN1CCC(C)CC1)[NH+]1CCCCC1 ZINC000787665157 578812982 /nfs/dbraw/zinc/81/29/82/578812982.db2.gz VSIKLODYBRYAMF-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH+](C)CCOCCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000788017346 578825719 /nfs/dbraw/zinc/82/57/19/578825719.db2.gz JYOWLINSUDMPSP-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793697542 578935419 /nfs/dbraw/zinc/93/54/19/578935419.db2.gz IFDQKXBLOFDPFN-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793697542 578935420 /nfs/dbraw/zinc/93/54/20/578935420.db2.gz IFDQKXBLOFDPFN-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]1C[NH+]1CCCC1)C2=O ZINC000738106292 579605123 /nfs/dbraw/zinc/60/51/23/579605123.db2.gz XBISMAZYIYTPJD-OAHLLOKOSA-N 1 3 349.479 0.520 20 0 ECADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841052140 588977247 /nfs/dbraw/zinc/97/72/47/588977247.db2.gz ZWLGMIQWBWYSLI-CYBMUJFWSA-N 1 3 334.420 0.563 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC000841171702 588980643 /nfs/dbraw/zinc/98/06/43/588980643.db2.gz SULKZPQEVNDMTB-UHFFFAOYSA-N 1 3 347.463 0.621 20 0 ECADHO C[C@]1(CNC(=O)C(=O)NC2CNC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842189117 589019271 /nfs/dbraw/zinc/01/92/71/589019271.db2.gz MXYIXHNXXXRUJD-GOSISDBHSA-N 1 3 330.432 0.103 20 0 ECADHO C[C@]1(CNC(=O)C(=O)NC2CNC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842189117 589019274 /nfs/dbraw/zinc/01/92/74/589019274.db2.gz MXYIXHNXXXRUJD-GOSISDBHSA-N 1 3 330.432 0.103 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804732488 586063238 /nfs/dbraw/zinc/06/32/38/586063238.db2.gz PXQSIZGPHVFMCP-BZUAXINKSA-N 1 3 336.480 0.576 20 0 ECADHO CS[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000807767544 586066117 /nfs/dbraw/zinc/06/61/17/586066117.db2.gz ZRBPSLQFBUWURU-UONOGXRCSA-N 1 3 344.525 0.339 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891340702 586163622 /nfs/dbraw/zinc/16/36/22/586163622.db2.gz SXZLEXFLHVNFSQ-HNNXBMFYSA-N 1 3 325.501 0.925 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000891577400 586178886 /nfs/dbraw/zinc/17/88/86/586178886.db2.gz ROJUWXDHYSXMOS-IAGOWNOFSA-N 1 3 334.464 0.966 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)NCCCCN1CCN(C)CC1 ZINC000891578870 586178973 /nfs/dbraw/zinc/17/89/73/586178973.db2.gz BNRYXFZTOQHGMD-MRXNPFEDSA-N 1 3 325.501 0.798 20 0 ECADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1CN(C2CCOCC2)C1 ZINC000896939371 586278728 /nfs/dbraw/zinc/27/87/28/586278728.db2.gz JGODXANIBDKDNT-INIZCTEOSA-N 1 3 327.469 0.570 20 0 ECADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000897397713 586309887 /nfs/dbraw/zinc/30/98/87/586309887.db2.gz HQICOHHBRBQSAU-FUHWJXTLSA-N 1 3 335.448 0.917 20 0 ECADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000897397713 586309890 /nfs/dbraw/zinc/30/98/90/586309890.db2.gz HQICOHHBRBQSAU-FUHWJXTLSA-N 1 3 335.448 0.917 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897421688 586312612 /nfs/dbraw/zinc/31/26/12/586312612.db2.gz MAFSRSLLVPDMDE-OAHLLOKOSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000897493718 586333657 /nfs/dbraw/zinc/33/36/57/586333657.db2.gz AVPHVNPIKPIXOO-CVEARBPZSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000897493718 586333659 /nfs/dbraw/zinc/33/36/59/586333659.db2.gz AVPHVNPIKPIXOO-CVEARBPZSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000897560855 586344945 /nfs/dbraw/zinc/34/49/45/586344945.db2.gz TXMAGRNFKSVNKI-GJZGRUSLSA-N 1 3 347.463 0.575 20 0 ECADHO O=C(NC[C@H]1CCCN1CCCO)C1C[NH+](C2CCOCC2)C1 ZINC000897875355 586377535 /nfs/dbraw/zinc/37/75/35/586377535.db2.gz DRVCRAQSQSVGIW-MRXNPFEDSA-N 1 3 325.453 0.060 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C)CCNC3=O)CC2)CC1 ZINC000889028915 586416201 /nfs/dbraw/zinc/41/62/01/586416201.db2.gz ILDIMZSRZLPPBF-GOSISDBHSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2nonc2c1 ZINC000898457403 586425763 /nfs/dbraw/zinc/42/57/63/586425763.db2.gz QSYPXZUREHBZFG-UHFFFAOYSA-N 1 3 334.424 0.858 20 0 ECADHO CC1(C)CC[N@H+](CCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000898586751 586435102 /nfs/dbraw/zinc/43/51/02/586435102.db2.gz QTNAQVINZPLPLL-HOTGVXAUSA-N 1 3 338.496 0.959 20 0 ECADHO CC1(C)CC[N@@H+](CCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000898586751 586435103 /nfs/dbraw/zinc/43/51/03/586435103.db2.gz QTNAQVINZPLPLL-HOTGVXAUSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1CN([C@@H]2CCOC2)C1 ZINC000898585183 586435143 /nfs/dbraw/zinc/43/51/43/586435143.db2.gz OZSKUEVMDOIIQC-GOEBONIOSA-N 1 3 326.485 0.095 20 0 ECADHO CN1CCN(C)CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000899653130 586493889 /nfs/dbraw/zinc/49/38/89/586493889.db2.gz KUXXQPAUPTZTHK-UHFFFAOYSA-N 1 3 327.542 0.382 20 0 ECADHO CN1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000900446608 586631827 /nfs/dbraw/zinc/63/18/27/586631827.db2.gz QAHGTLAIUDBDTF-AEFFLSMTSA-N 1 3 338.496 0.116 20 0 ECADHO NC(=O)c1cn(CCCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nn1 ZINC000903189711 586770853 /nfs/dbraw/zinc/77/08/53/586770853.db2.gz HBQNQLZIZFGXDZ-LQDVMPOASA-N 1 3 332.452 0.905 20 0 ECADHO NC(=O)c1cn(CCCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nn1 ZINC000903189711 586770854 /nfs/dbraw/zinc/77/08/54/586770854.db2.gz HBQNQLZIZFGXDZ-LQDVMPOASA-N 1 3 332.452 0.905 20 0 ECADHO NC(=O)c1cn(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C2CC2)nn1 ZINC000903189711 586770856 /nfs/dbraw/zinc/77/08/56/586770856.db2.gz HBQNQLZIZFGXDZ-LQDVMPOASA-N 1 3 332.452 0.905 20 0 ECADHO CCC(CC)NC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493691 586779628 /nfs/dbraw/zinc/77/96/28/586779628.db2.gz ZTMMITXIPJNABB-ZHRONYKTSA-N 1 3 325.453 0.892 20 0 ECADHO C[C@H](c1nnnn1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507247 586783017 /nfs/dbraw/zinc/78/30/17/586783017.db2.gz SSBUHIWALHZHBZ-WQVCFCJDSA-N 1 3 331.468 0.970 20 0 ECADHO C[C@H](c1nnnn1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507247 586783019 /nfs/dbraw/zinc/78/30/19/586783019.db2.gz SSBUHIWALHZHBZ-WQVCFCJDSA-N 1 3 331.468 0.970 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NC[C@H]1CCCO1 ZINC000903507449 586783041 /nfs/dbraw/zinc/78/30/41/586783041.db2.gz ZZNQLRYOVUTDPM-IXDOHACOSA-N 1 3 336.480 0.182 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NC[C@H]1CCCO1 ZINC000903507449 586783042 /nfs/dbraw/zinc/78/30/42/586783042.db2.gz ZZNQLRYOVUTDPM-IXDOHACOSA-N 1 3 336.480 0.182 20 0 ECADHO COC(=O)CCN(C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C[C@@H]1CCCO1 ZINC000903752608 586805274 /nfs/dbraw/zinc/80/52/74/586805274.db2.gz OFZSTDUHFPUJHO-ZMSDIMECSA-N 1 3 326.437 0.799 20 0 ECADHO CNS(=O)(=O)C[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903774874 586813578 /nfs/dbraw/zinc/81/35/78/586813578.db2.gz AUGQROBDWFTGQX-RBSFLKMASA-N 1 3 331.482 0.016 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](CN3CCOCC3)C2)cnn1C ZINC000903896311 586823463 /nfs/dbraw/zinc/82/34/63/586823463.db2.gz ARFUBFRCEJYXEV-DLBZAZTESA-N 1 3 335.496 0.500 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCNC[C@H]2c2nccn2C)cnn1C ZINC000903918425 586825792 /nfs/dbraw/zinc/82/57/92/586825792.db2.gz ZIWAPJFNURWGBY-HOCLYGCPSA-N 1 3 331.468 0.226 20 0 ECADHO CN1CCN(C)CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000904509171 586839556 /nfs/dbraw/zinc/83/95/56/586839556.db2.gz DGBDBSMCMZWJMC-UHFFFAOYSA-N 1 3 332.452 0.438 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000904971802 586851548 /nfs/dbraw/zinc/85/15/48/586851548.db2.gz JKZFNNMYWLUHFA-YJBOKZPZSA-N 1 3 336.480 0.661 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)C1 ZINC000906440602 586947567 /nfs/dbraw/zinc/94/75/67/586947567.db2.gz HRRKKJLSTJDEOD-KRWDZBQOSA-N 1 3 338.496 0.193 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)C1 ZINC000906440602 586947570 /nfs/dbraw/zinc/94/75/70/586947570.db2.gz HRRKKJLSTJDEOD-KRWDZBQOSA-N 1 3 338.496 0.193 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000817766635 587383355 /nfs/dbraw/zinc/38/33/55/587383355.db2.gz HTRJBHYCLGYSTD-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000817766635 587383357 /nfs/dbraw/zinc/38/33/57/587383357.db2.gz HTRJBHYCLGYSTD-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CCCNCC1 ZINC000817991559 587395296 /nfs/dbraw/zinc/39/52/96/587395296.db2.gz ZSIRDJJAEIYJKM-UHFFFAOYSA-N 1 3 332.448 0.529 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCc3ccc(CC[NH3+])cc3)C[C@H]2N)cn1 ZINC000818655646 587443502 /nfs/dbraw/zinc/44/35/02/587443502.db2.gz MWXYANQPKGRCIA-DLBZAZTESA-N 1 3 342.447 0.558 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000825702235 587956889 /nfs/dbraw/zinc/95/68/89/587956889.db2.gz QCLPFGFZRJUUOM-LSDHHAIUSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000825702235 587956891 /nfs/dbraw/zinc/95/68/91/587956891.db2.gz QCLPFGFZRJUUOM-LSDHHAIUSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H](CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)N(C)C ZINC000845183966 589135981 /nfs/dbraw/zinc/13/59/81/589135981.db2.gz ALVCVYBNUNZPJF-CHWSQXEVSA-N 1 3 330.473 0.898 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000851688174 589414499 /nfs/dbraw/zinc/41/44/99/589414499.db2.gz RZPULYFOKZUXOJ-INIZCTEOSA-N 1 3 332.448 0.405 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000851691311 589415335 /nfs/dbraw/zinc/41/53/35/589415335.db2.gz GVKYDQMXMFSTIN-OAHLLOKOSA-N 1 3 334.464 0.343 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000852863906 589519588 /nfs/dbraw/zinc/51/95/88/589519588.db2.gz KPNJRZVRNIXKGL-SOUVJXGZSA-N 1 3 348.451 0.186 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(OC)CC3)CC2)CC1 ZINC000854856032 589609221 /nfs/dbraw/zinc/60/92/21/589609221.db2.gz PFSWBCNFRREBLT-UHFFFAOYSA-N 1 3 338.496 0.888 20 0 ECADHO CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346180 589627636 /nfs/dbraw/zinc/62/76/36/589627636.db2.gz QOPQINCPTWOZES-JSGCOSHPSA-N 1 3 330.498 0.296 20 0 ECADHO CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346180 589627637 /nfs/dbraw/zinc/62/76/37/589627637.db2.gz QOPQINCPTWOZES-JSGCOSHPSA-N 1 3 330.498 0.296 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)C(=O)C2CCSCC2)C[C@H]1C[NH+](C)C ZINC000866041806 589717905 /nfs/dbraw/zinc/71/79/05/589717905.db2.gz ZQUFJHPPFGGXJO-HUUCEWRRSA-N 1 3 341.521 0.897 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000866807488 589780976 /nfs/dbraw/zinc/78/09/76/589780976.db2.gz VLUCDMUGWTYMPN-JOCQHMNTSA-N 1 3 329.470 0.077 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867443596 589786384 /nfs/dbraw/zinc/78/63/84/589786384.db2.gz LDEYYPFOKKPMPV-HZPDHXFCSA-N 1 3 336.480 0.339 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867443596 589786386 /nfs/dbraw/zinc/78/63/86/589786386.db2.gz LDEYYPFOKKPMPV-HZPDHXFCSA-N 1 3 336.480 0.339 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@@H](CC[N@@H+]3C)C1)CC2 ZINC000867514776 589796768 /nfs/dbraw/zinc/79/67/68/589796768.db2.gz FHBOCJYLFARYTC-FZKCQIBNSA-N 1 3 334.464 0.234 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@@H](CC[N@H+]3C)C1)CC2 ZINC000867514776 589796769 /nfs/dbraw/zinc/79/67/69/589796769.db2.gz FHBOCJYLFARYTC-FZKCQIBNSA-N 1 3 334.464 0.234 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868253357 589885928 /nfs/dbraw/zinc/88/59/28/589885928.db2.gz MTAFUHFGYZUCNX-HRCADAONSA-N 1 3 330.432 0.992 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000861813242 589894942 /nfs/dbraw/zinc/89/49/42/589894942.db2.gz QYHOHYFKVSATMI-DOTOQJQBSA-N 1 3 346.475 0.486 20 0 ECADHO CN(CC1CN(C)C1)C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000869256137 589956517 /nfs/dbraw/zinc/95/65/17/589956517.db2.gz RHBGHTUOHZXRCF-ZDUSSCGKSA-N 1 3 328.457 0.461 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCOC1=O ZINC000874265960 590229328 /nfs/dbraw/zinc/22/93/28/590229328.db2.gz CWLUOAJJRPNXHK-AWEZNQCLSA-N 1 3 326.441 0.313 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCOC1=O ZINC000874265960 590229330 /nfs/dbraw/zinc/22/93/30/590229330.db2.gz CWLUOAJJRPNXHK-AWEZNQCLSA-N 1 3 326.441 0.313 20 0 ECADHO CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCC1(C)C ZINC000874989381 590260939 /nfs/dbraw/zinc/26/09/39/590260939.db2.gz FJWGUCSIPOSFDD-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000875060707 590266828 /nfs/dbraw/zinc/26/68/28/590266828.db2.gz DOLSADDWLMFIIZ-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000875060707 590266830 /nfs/dbraw/zinc/26/68/30/590266830.db2.gz DOLSADDWLMFIIZ-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1(C)C ZINC000875099471 590270726 /nfs/dbraw/zinc/27/07/26/590270726.db2.gz QJHRVSFCQRXHJO-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCC1(C)C ZINC000875099471 590270727 /nfs/dbraw/zinc/27/07/27/590270727.db2.gz QJHRVSFCQRXHJO-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC[C@H]21 ZINC000875444962 590302455 /nfs/dbraw/zinc/30/24/55/590302455.db2.gz PFQKNUFNSXVAAI-VQHPVUNQSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC[C@H]21 ZINC000875444962 590302456 /nfs/dbraw/zinc/30/24/56/590302456.db2.gz PFQKNUFNSXVAAI-VQHPVUNQSA-N 1 3 348.491 0.672 20 0 ECADHO COC(=O)C1CC(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000875712613 590323645 /nfs/dbraw/zinc/32/36/45/590323645.db2.gz GFOAJRULKFKKBN-HSBZDZAISA-N 1 3 328.457 0.509 20 0 ECADHO COC(=O)C1CC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000875712613 590323648 /nfs/dbraw/zinc/32/36/48/590323648.db2.gz GFOAJRULKFKKBN-HSBZDZAISA-N 1 3 328.457 0.509 20 0 ECADHO CC(C)N1CCN(CCC[NH+]2CCC(c3nnnn3C)CC2)CC1 ZINC000879916938 590350431 /nfs/dbraw/zinc/35/04/31/590350431.db2.gz WSKBLSONZBMLET-UHFFFAOYSA-N 1 3 335.500 0.806 20 0 ECADHO NC(=O)C1([NH+]2CCCCC2)CCN(CCCN2CCOCC2)CC1 ZINC000880253353 590379008 /nfs/dbraw/zinc/37/90/08/590379008.db2.gz YJPOVXKCZPXKBW-UHFFFAOYSA-N 1 3 338.496 0.515 20 0 ECADHO O=C(CN1CCNCC1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000876520244 590385258 /nfs/dbraw/zinc/38/52/58/590385258.db2.gz GVANYVFRKQRATP-MRXNPFEDSA-N 1 3 346.431 0.439 20 0 ECADHO CN1CCC(CNC(=O)c2cn(CC[NH3+])nn2)(c2ccccc2)CC1 ZINC000877225823 590446252 /nfs/dbraw/zinc/44/62/52/590446252.db2.gz WGBRRJUVCGXVHJ-UHFFFAOYSA-N 1 3 342.447 0.630 20 0 ECADHO CCN1CC[C@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000883249149 590610287 /nfs/dbraw/zinc/61/02/87/590610287.db2.gz VDDBIMCAVCLFOV-KRWDZBQOSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000883642008 590639044 /nfs/dbraw/zinc/63/90/44/590639044.db2.gz AWXRPCFRODSAGS-RDBSUJKOSA-N 1 3 331.420 0.067 20 0 ECADHO O=C(C(=O)N1CCNCCC12CCC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000883658878 590645911 /nfs/dbraw/zinc/64/59/11/590645911.db2.gz RHAQUCREMOATFG-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000884973942 590659032 /nfs/dbraw/zinc/65/90/32/590659032.db2.gz JFWLKAOBCUXYJM-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC12OCCO2 ZINC000889333234 590684044 /nfs/dbraw/zinc/68/40/44/590684044.db2.gz XVZIRFAWGXIRKX-GJZGRUSLSA-N 1 3 342.484 0.853 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC12OCCO2 ZINC000889333234 590684047 /nfs/dbraw/zinc/68/40/47/590684047.db2.gz XVZIRFAWGXIRKX-GJZGRUSLSA-N 1 3 342.484 0.853 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CN1C1CC1 ZINC000884233483 590784361 /nfs/dbraw/zinc/78/43/61/590784361.db2.gz QVOIDPRJIONTRY-UKRRQHHQSA-N 1 3 329.448 0.846 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000884300991 590798792 /nfs/dbraw/zinc/79/87/92/590798792.db2.gz MFVBQNZIYUWJNS-IRXDYDNUSA-N 1 3 343.475 0.953 20 0 ECADHO COCC[C@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000884342007 590810913 /nfs/dbraw/zinc/81/09/13/590810913.db2.gz NRJCKATWVGIBSK-AWEZNQCLSA-N 1 3 336.436 0.273 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccnc(N2CCNCC2)c1 ZINC000884371213 590814624 /nfs/dbraw/zinc/81/46/24/590814624.db2.gz IKBPUYXYNIFLMZ-OAHLLOKOSA-N 1 3 329.448 0.896 20 0 ECADHO CN(CC[Si](C)(C)CC[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000886517430 590855881 /nfs/dbraw/zinc/85/58/81/590855881.db2.gz CQTCLNFGTFQWQT-KLHDSHLOSA-N 1 3 346.544 0.078 20 0 ECADHO CN(CC[Si](C)(C)CC[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000886517430 590855883 /nfs/dbraw/zinc/85/58/83/590855883.db2.gz CQTCLNFGTFQWQT-KLHDSHLOSA-N 1 3 346.544 0.078 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000884578101 590862686 /nfs/dbraw/zinc/86/26/86/590862686.db2.gz SXTQZHIOHOBKRH-PBHICJAKSA-N 1 3 344.459 0.499 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884577130 590862732 /nfs/dbraw/zinc/86/27/32/590862732.db2.gz YGZKIWFAZLQXON-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)N(C)C1CC1 ZINC000884617078 590872361 /nfs/dbraw/zinc/87/23/61/590872361.db2.gz HIBQOAFEZIGALV-FZKQIMNGSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)C1=CCN(C)CC1 ZINC000884624000 590875802 /nfs/dbraw/zinc/87/58/02/590875802.db2.gz VEEZQGAIXSCZRT-KXBFYZLASA-N 1 3 348.491 0.745 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884631369 590878604 /nfs/dbraw/zinc/87/86/04/590878604.db2.gz HYENXRWIZWXLAN-LPHOPBHVSA-N 1 3 348.491 0.579 20 0 ECADHO Nc1nc(N)nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000884668641 590886982 /nfs/dbraw/zinc/88/69/82/590886982.db2.gz YGXGVEIRCNUJRW-UONOGXRCSA-N 1 3 325.420 0.994 20 0 ECADHO Nc1nc(N)nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000884668641 590886984 /nfs/dbraw/zinc/88/69/84/590886984.db2.gz YGXGVEIRCNUJRW-UONOGXRCSA-N 1 3 325.420 0.994 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@@H]13)C2 ZINC000884776191 590919114 /nfs/dbraw/zinc/91/91/14/590919114.db2.gz OUASUTSIHCEGEK-JTOWHCCKSA-N 1 3 334.464 0.187 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884782115 590921671 /nfs/dbraw/zinc/92/16/71/590921671.db2.gz ASUHBNOUNAPHAW-PVAVHDDUSA-N 1 3 348.491 0.863 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884787257 590923349 /nfs/dbraw/zinc/92/33/49/590923349.db2.gz 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347.463 0.932 20 0 ECADHO CN(C)[C@H](C(=O)N1CCOC2(CC[NH+](CCCO)CC2)C1)C1CC1 ZINC000949115089 609058335 /nfs/dbraw/zinc/05/83/35/609058335.db2.gz SAEQLFVSJLJRLA-INIZCTEOSA-N 1 3 339.480 0.402 20 0 ECADHO C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)N1CCCCCC1 ZINC000909323618 609083737 /nfs/dbraw/zinc/08/37/37/609083737.db2.gz SAPFLXSXZKMDLP-INIZCTEOSA-N 1 3 338.496 0.969 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000937976989 609429683 /nfs/dbraw/zinc/42/96/83/609429683.db2.gz YYYPRGWCDBYTOA-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000937976989 609429685 /nfs/dbraw/zinc/42/96/85/609429685.db2.gz YYYPRGWCDBYTOA-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000938193468 609512811 /nfs/dbraw/zinc/51/28/11/609512811.db2.gz KIXFRPNOBGKWQQ-HOTGVXAUSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H]1[C@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CCN1C ZINC000925334488 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/nfs/dbraw/zinc/23/79/91/611237991.db2.gz FXOHRHXPFZSHCT-XHSDSOJGSA-N 1 3 341.452 0.277 20 0 ECADHO CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923484235 611250283 /nfs/dbraw/zinc/25/02/83/611250283.db2.gz IKJZDIHVMRQVTK-CYBMUJFWSA-N 1 3 326.441 0.394 20 0 ECADHO C[C@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)CC[C@@H]1C[NH3+] ZINC000923498544 611251797 /nfs/dbraw/zinc/25/17/97/611251797.db2.gz ORUPXBIYORSFTG-LSDHHAIUSA-N 1 3 332.452 0.042 20 0 ECADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000851667335 611322759 /nfs/dbraw/zinc/32/27/59/611322759.db2.gz MDEQGZOTIRBFIS-STQMWFEESA-N 1 3 332.395 0.536 20 0 ECADHO O=S(=O)(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)C1CNC1 ZINC000923643357 611335249 /nfs/dbraw/zinc/33/52/49/611335249.db2.gz AJHOFMOWBQRVNW-DOMZBBRYSA-N 1 3 327.425 0.410 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCN1CCCC1=O ZINC000947934287 611746610 /nfs/dbraw/zinc/74/66/10/611746610.db2.gz KFYAUBMRSNNUMF-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933850515 611753689 /nfs/dbraw/zinc/75/36/89/611753689.db2.gz IDNBHXMAWGOKLO-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000949245231 611918337 /nfs/dbraw/zinc/91/83/37/611918337.db2.gz LJMRAUKMIRXARE-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000949245231 611918340 /nfs/dbraw/zinc/91/83/40/611918340.db2.gz LJMRAUKMIRXARE-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000950420554 612013345 /nfs/dbraw/zinc/01/33/45/612013345.db2.gz WJOYZSLINOJCQQ-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH+]1CCC(C(=O)NCC2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000949552259 612029885 /nfs/dbraw/zinc/02/98/85/612029885.db2.gz CIVBZSIGPOKYCV-UHFFFAOYSA-N 1 3 347.463 0.649 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC000954492371 612324773 /nfs/dbraw/zinc/32/47/73/612324773.db2.gz QEEVXHWLINJTTD-JKSUJKDBSA-N 1 3 338.496 0.870 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC000954492371 612324777 /nfs/dbraw/zinc/32/47/77/612324777.db2.gz QEEVXHWLINJTTD-JKSUJKDBSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1)[NH+](C)C ZINC000955338244 612457282 /nfs/dbraw/zinc/45/72/82/612457282.db2.gz BLMMBKXUYHSPTN-PBHICJAKSA-N 1 3 338.496 0.584 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000956113164 612718996 /nfs/dbraw/zinc/71/89/96/612718996.db2.gz DJQXHLPEPGVXIY-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000954997263 612842782 /nfs/dbraw/zinc/84/27/82/612842782.db2.gz RDRMHFXWPJTXDW-CZUORRHYSA-N 1 3 347.463 0.599 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000954997263 612842784 /nfs/dbraw/zinc/84/27/84/612842784.db2.gz RDRMHFXWPJTXDW-CZUORRHYSA-N 1 3 347.463 0.599 20 0 ECADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000954322816 612852960 /nfs/dbraw/zinc/85/29/60/612852960.db2.gz VKXKAFABGMUCDT-AWEZNQCLSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000954322816 612852964 /nfs/dbraw/zinc/85/29/64/612852964.db2.gz VKXKAFABGMUCDT-AWEZNQCLSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000954357614 612874857 /nfs/dbraw/zinc/87/48/57/612874857.db2.gz YPFUULJLBNKLIY-HZPDHXFCSA-N 1 3 336.480 0.338 20 0 ECADHO [NH3+]Cc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncn1 ZINC001164740155 720664475 /nfs/dbraw/zinc/66/44/75/720664475.db2.gz QKQCEHZGHONUAK-KBPBESRZSA-N 1 3 327.392 0.067 20 0 ECADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O)C1CCC1 ZINC001024983673 738460173 /nfs/dbraw/zinc/46/01/73/738460173.db2.gz XLNRBGNPGMSVGN-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC001167046023 731480671 /nfs/dbraw/zinc/48/06/71/731480671.db2.gz XXQYIOSBAQNQGI-LSDHHAIUSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001078073241 782252731 /nfs/dbraw/zinc/25/27/31/782252731.db2.gz BEHVQDRLHRNXTP-LSDHHAIUSA-N 1 3 340.512 0.925 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)CC1 ZINC000969800807 732377406 /nfs/dbraw/zinc/37/74/06/732377406.db2.gz WZMASIGBXLZSHM-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC000969844285 732434522 /nfs/dbraw/zinc/43/45/22/732434522.db2.gz HPETUAKTCPETTD-IIAWOOMASA-N 1 3 334.468 0.542 20 0 ECADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC000969968530 732569791 /nfs/dbraw/zinc/56/97/91/732569791.db2.gz RZPYWJNLVJTTIH-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001114984772 732575000 /nfs/dbraw/zinc/57/50/00/732575000.db2.gz NLKQRNRIVZINPK-LISAXSMJSA-N 1 3 341.496 0.552 20 0 ECADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001114984772 732575002 /nfs/dbraw/zinc/57/50/02/732575002.db2.gz NLKQRNRIVZINPK-LISAXSMJSA-N 1 3 341.496 0.552 20 0 ECADHO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240540 733087132 /nfs/dbraw/zinc/08/71/32/733087132.db2.gz MNYNTXRPUVOTNX-HNNXBMFYSA-N 1 3 341.496 0.602 20 0 ECADHO CC(C)N(C)C(=O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928790 733091780 /nfs/dbraw/zinc/09/17/80/733091780.db2.gz JEWOLZLXBIJCHL-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)cc1 ZINC000970271034 733285747 /nfs/dbraw/zinc/28/57/47/733285747.db2.gz WPZXLOBFIKHYNG-IAGOWNOFSA-N 1 3 344.459 0.831 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104288357 733739313 /nfs/dbraw/zinc/73/93/13/733739313.db2.gz XCZPZEMVCHGMFA-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO Cn1cc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C(F)F)n1 ZINC000970713422 733860516 /nfs/dbraw/zinc/86/05/16/733860516.db2.gz XDMJWQJXQSVBQT-DGCLKSJQSA-N 1 3 341.406 1.000 20 0 ECADHO Cn1cc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C(F)F)n1 ZINC000970713422 733860517 /nfs/dbraw/zinc/86/05/17/733860517.db2.gz XDMJWQJXQSVBQT-DGCLKSJQSA-N 1 3 341.406 1.000 20 0 ECADHO CC(C)CN1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221217 734795707 /nfs/dbraw/zinc/79/57/07/734795707.db2.gz QRVBPQHDZPWPIU-DLBZAZTESA-N 1 3 349.479 0.626 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1)C1CC1 ZINC000971676880 734941081 /nfs/dbraw/zinc/94/10/81/734941081.db2.gz IFYAGFDFEVEKEK-IAGOWNOFSA-N 1 3 333.480 0.836 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1)C1CC1 ZINC000971676880 734941082 /nfs/dbraw/zinc/94/10/82/734941082.db2.gz IFYAGFDFEVEKEK-IAGOWNOFSA-N 1 3 333.480 0.836 20 0 ECADHO C[N@H+](C[C@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427559 736173190 /nfs/dbraw/zinc/17/31/90/736173190.db2.gz ZZYHXQIKRHRKHM-HIFRSBDPSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427559 736173194 /nfs/dbraw/zinc/17/31/94/736173194.db2.gz ZZYHXQIKRHRKHM-HIFRSBDPSA-N 1 3 333.436 0.401 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](CCO)CCOC)CC1 ZINC001098572602 736282376 /nfs/dbraw/zinc/28/23/76/736282376.db2.gz QHUGHINDHDPVQB-QGZVFWFLSA-N 1 3 341.496 0.793 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)CCOC)CC1 ZINC001098572602 736282380 /nfs/dbraw/zinc/28/23/80/736282380.db2.gz QHUGHINDHDPVQB-QGZVFWFLSA-N 1 3 341.496 0.793 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)n1 ZINC001087257851 737414780 /nfs/dbraw/zinc/41/47/80/737414780.db2.gz LGSRYNPPJLQKFZ-UONOGXRCSA-N 1 3 333.436 0.925 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)n1 ZINC001087257851 737414785 /nfs/dbraw/zinc/41/47/85/737414785.db2.gz LGSRYNPPJLQKFZ-UONOGXRCSA-N 1 3 333.436 0.925 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)[nH]1 ZINC001023986937 737584385 /nfs/dbraw/zinc/58/43/85/737584385.db2.gz NPHZSEJIUFSAOK-GOEBONIOSA-N 1 3 346.479 0.783 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001024155915 737782632 /nfs/dbraw/zinc/78/26/32/737782632.db2.gz DITICRZVSCLOBV-HUUCEWRRSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](CNCc2cn(C)nn2)C1 ZINC001024156294 737783457 /nfs/dbraw/zinc/78/34/57/737783457.db2.gz KWZGUXLLPBXMJM-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](CNCc2cn(C)nn2)C1 ZINC001024156294 737783462 /nfs/dbraw/zinc/78/34/62/737783462.db2.gz KWZGUXLLPBXMJM-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001024160954 737790260 /nfs/dbraw/zinc/79/02/60/737790260.db2.gz CYTQLKIAJPPLGB-HOCLYGCPSA-N 1 3 336.484 0.966 20 0 ECADHO C[C@@H](NC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nncn1C ZINC001024238095 737844587 /nfs/dbraw/zinc/84/45/87/737844587.db2.gz HWGWNGJEPPTYOU-CABCVRRESA-N 1 3 346.479 0.800 20 0 ECADHO C[C@@H](O)CN1CCCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001024443654 737977940 /nfs/dbraw/zinc/97/79/40/737977940.db2.gz ODIYERSGSFZDQL-HUUCEWRRSA-N 1 3 337.468 0.410 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cncn3)C2)C1 ZINC001104681268 739470191 /nfs/dbraw/zinc/47/01/91/739470191.db2.gz HHZCHBOYEXBQJQ-GVDBMIGSSA-N 1 3 348.495 0.694 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001025813301 739984635 /nfs/dbraw/zinc/98/46/35/739984635.db2.gz AWHHKINEPGNCQU-DEQQHWRFSA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001025813301 739984639 /nfs/dbraw/zinc/98/46/39/739984639.db2.gz AWHHKINEPGNCQU-DEQQHWRFSA-N 1 3 334.464 0.184 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025967443 740282504 /nfs/dbraw/zinc/28/25/04/740282504.db2.gz XTMJHNKNGCADGD-ARKGTOAJSA-N 1 3 334.464 0.043 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025967443 740282507 /nfs/dbraw/zinc/28/25/07/740282507.db2.gz XTMJHNKNGCADGD-ARKGTOAJSA-N 1 3 334.464 0.043 20 0 ECADHO Cc1noc(CCCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001026044251 740329465 /nfs/dbraw/zinc/32/94/65/740329465.db2.gz MRHRDFJKRQCPFW-QVDCYYDOSA-N 1 3 347.463 0.555 20 0 ECADHO Cc1noc(CCCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001026044251 740329468 /nfs/dbraw/zinc/32/94/68/740329468.db2.gz MRHRDFJKRQCPFW-QVDCYYDOSA-N 1 3 347.463 0.555 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001059856013 751543128 /nfs/dbraw/zinc/54/31/28/751543128.db2.gz FXWXDGOFVZDFIJ-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC2(CC[NH+](CCO)CC2)O1 ZINC001098607127 740439862 /nfs/dbraw/zinc/43/98/62/740439862.db2.gz YWMGWZLSOYIUQE-GDBMZVCRSA-N 1 3 339.480 0.401 20 0 ECADHO C[NH+]1CCC(OCC(=O)N2CC3(C2)CCCN(CCO)C3)CC1 ZINC000982094058 751580438 /nfs/dbraw/zinc/58/04/38/751580438.db2.gz ZWIUIIVRTPFSMN-UHFFFAOYSA-N 1 3 325.453 0.014 20 0 ECADHO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]32)cn1 ZINC001026364931 741064942 /nfs/dbraw/zinc/06/49/42/741064942.db2.gz OFWGHTYRDZZXAR-CWRNSKLLSA-N 1 3 328.420 0.713 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2[C@H]([NH2+]CCN3CCCC3=O)CC[C@@H]2C1 ZINC001026366821 741070213 /nfs/dbraw/zinc/07/02/13/741070213.db2.gz QSONIDYFTVJBRT-VNQPRFMTSA-N 1 3 345.447 0.401 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001078238274 782538816 /nfs/dbraw/zinc/53/88/16/782538816.db2.gz NVSUZQNCBDWWSW-ZJIFWQFVSA-N 1 3 340.512 0.924 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001078238274 782538819 /nfs/dbraw/zinc/53/88/19/782538819.db2.gz NVSUZQNCBDWWSW-ZJIFWQFVSA-N 1 3 340.512 0.924 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)CCC1 ZINC001026885979 742026615 /nfs/dbraw/zinc/02/66/15/742026615.db2.gz QISDQACRNXJHLX-INIZCTEOSA-N 1 3 346.475 0.808 20 0 ECADHO CN(CC(=O)N1CC[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC001026888806 742028889 /nfs/dbraw/zinc/02/88/89/742028889.db2.gz NWJGSZHMRGNPAM-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001026887682 742044292 /nfs/dbraw/zinc/04/42/92/742044292.db2.gz TUEMSHNXOILHMK-YOEHRIQHSA-N 1 3 348.495 0.885 20 0 ECADHO CC1(C)C[N@H+](CCCO)C[C@@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000974828147 742228591 /nfs/dbraw/zinc/22/85/91/742228591.db2.gz SVQFBOIMGJNGGR-DGSCNEQVSA-N 1 3 337.464 0.059 20 0 ECADHO CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000974828147 742228594 /nfs/dbraw/zinc/22/85/94/742228594.db2.gz SVQFBOIMGJNGGR-DGSCNEQVSA-N 1 3 337.464 0.059 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027063538 742431274 /nfs/dbraw/zinc/43/12/74/742431274.db2.gz NEFRHXLJMYUVSM-LSDHHAIUSA-N 1 3 334.468 0.720 20 0 ECADHO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027065937 742438239 /nfs/dbraw/zinc/43/82/39/742438239.db2.gz HQEGHHLXWCJHRK-CQSZACIVSA-N 1 3 334.468 0.485 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001027091415 742525169 /nfs/dbraw/zinc/52/51/69/742525169.db2.gz MFSRXRIVSGFNRW-TZMCWYRMSA-N 1 3 329.408 0.169 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000975414659 742822507 /nfs/dbraw/zinc/82/25/07/742822507.db2.gz PPGRDWCGHMFYEQ-CQSZACIVSA-N 1 3 345.447 0.403 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170083 742960105 /nfs/dbraw/zinc/96/01/05/742960105.db2.gz BTWISTMREKCIFC-HUUCEWRRSA-N 1 3 347.463 0.765 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170083 742960112 /nfs/dbraw/zinc/96/01/12/742960112.db2.gz BTWISTMREKCIFC-HUUCEWRRSA-N 1 3 347.463 0.765 20 0 ECADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1)C(N)=O ZINC000996996948 743108162 /nfs/dbraw/zinc/10/81/62/743108162.db2.gz AVSOUQHLRXNIGE-SJKOYZFVSA-N 1 3 342.459 0.653 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCc3ccnn3C)CC2)C1 ZINC000996996981 743108676 /nfs/dbraw/zinc/10/86/76/743108676.db2.gz AZSVMDKVQJHLKC-OAHLLOKOSA-N 1 3 333.480 0.885 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001027217878 743195898 /nfs/dbraw/zinc/19/58/98/743195898.db2.gz RDOHGUYDLOCYKY-WBVHZDCISA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001027234587 743248072 /nfs/dbraw/zinc/24/80/72/743248072.db2.gz ZSWKIFQYQBKAOY-WBVHZDCISA-N 1 3 344.459 0.688 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000997238688 743391533 /nfs/dbraw/zinc/39/15/33/743391533.db2.gz PADWPIPGFTWIJN-ZFWWWQNUSA-N 1 3 345.447 0.462 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000997238688 743391542 /nfs/dbraw/zinc/39/15/42/743391542.db2.gz PADWPIPGFTWIJN-ZFWWWQNUSA-N 1 3 345.447 0.462 20 0 ECADHO O=C(C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1)N1CCCCC1 ZINC000997307087 743470474 /nfs/dbraw/zinc/47/04/74/743470474.db2.gz ODSKTWJTTFWCOP-UHFFFAOYSA-N 1 3 336.480 0.675 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC001020587798 751848940 /nfs/dbraw/zinc/84/89/40/751848940.db2.gz VCNGFFWSNQPNQH-YHUYYLMFSA-N 1 3 336.480 0.717 20 0 ECADHO COc1nccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000997606484 743705890 /nfs/dbraw/zinc/70/58/90/743705890.db2.gz LJSOCEMALDCMGQ-MRXNPFEDSA-N 1 3 347.463 0.908 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)n1 ZINC001020591370 751858967 /nfs/dbraw/zinc/85/89/67/751858967.db2.gz MCSMYEJLZGUWIU-WKILWMFISA-N 1 3 348.495 0.864 20 0 ECADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cnnn2CC)CC1)N(C)C ZINC000997857201 743854411 /nfs/dbraw/zinc/85/44/11/743854411.db2.gz YBEKBLQLMOFCDK-MRXNPFEDSA-N 1 3 336.484 0.966 20 0 ECADHO COc1ccc(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000998271331 744090516 /nfs/dbraw/zinc/09/05/16/744090516.db2.gz FYQJLBOJQMNYJU-HNNXBMFYSA-N 1 3 347.463 0.765 20 0 ECADHO COc1ccc(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000998271331 744090521 /nfs/dbraw/zinc/09/05/21/744090521.db2.gz FYQJLBOJQMNYJU-HNNXBMFYSA-N 1 3 347.463 0.765 20 0 ECADHO O=C(CN1CCCC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998654548 744269738 /nfs/dbraw/zinc/26/97/38/744269738.db2.gz KRKZYFNQZSFMPZ-PMPSAXMXSA-N 1 3 346.475 0.426 20 0 ECADHO C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001211669070 744359285 /nfs/dbraw/zinc/35/92/85/744359285.db2.gz HQRKUWDYQAJMRS-GVDBMIGSSA-N 1 3 344.459 0.411 20 0 ECADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211669257 744415533 /nfs/dbraw/zinc/41/55/33/744415533.db2.gz QCCBCBPRXFAWAB-BHYGNILZSA-N 1 3 346.475 0.657 20 0 ECADHO CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC(NCc2cnnn2C)C1 ZINC000998988097 744451268 /nfs/dbraw/zinc/45/12/68/744451268.db2.gz SEEIEQAIYQPSBP-UHFFFAOYSA-N 1 3 346.479 0.770 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC000999143399 744534065 /nfs/dbraw/zinc/53/40/65/744534065.db2.gz GWONLGVHEZXYHL-HOCLYGCPSA-N 1 3 334.468 0.769 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC000999143399 744534069 /nfs/dbraw/zinc/53/40/69/744534069.db2.gz GWONLGVHEZXYHL-HOCLYGCPSA-N 1 3 334.468 0.769 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1)C1CCC1 ZINC000999366100 744656613 /nfs/dbraw/zinc/65/66/13/744656613.db2.gz VGCFGJIAIUSHAT-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC000999497937 744724470 /nfs/dbraw/zinc/72/44/70/744724470.db2.gz STFWDXJEZMIBLR-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1 ZINC000977196617 744748377 /nfs/dbraw/zinc/74/83/77/744748377.db2.gz NQQCQTCNYKEJIV-LCEIHVTHSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1 ZINC000977196617 744748381 /nfs/dbraw/zinc/74/83/81/744748381.db2.gz NQQCQTCNYKEJIV-LCEIHVTHSA-N 1 3 348.491 0.386 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN3CCC[C@H]3C)C2)CC[N@@H+]1C ZINC000999846737 744939109 /nfs/dbraw/zinc/93/91/09/744939109.db2.gz GGSYLMCPNVVLER-VNQPRFMTSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN3CCC[C@H]3C)C2)CC[N@H+]1C ZINC000999846737 744939112 /nfs/dbraw/zinc/93/91/12/744939112.db2.gz GGSYLMCPNVVLER-VNQPRFMTSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999849248 744942121 /nfs/dbraw/zinc/94/21/21/744942121.db2.gz RFSOHTURSMVXOD-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999849248 744942123 /nfs/dbraw/zinc/94/21/23/744942123.db2.gz RFSOHTURSMVXOD-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020675714 751960005 /nfs/dbraw/zinc/96/00/05/751960005.db2.gz BVBKGYLHPUWOHM-BZUAXINKSA-N 1 3 334.468 0.778 20 0 ECADHO CCN1CC[C@H]([NH2+][C@H](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC001029152809 745175199 /nfs/dbraw/zinc/17/51/99/745175199.db2.gz JXCOCVXLLNIFTQ-CJNGLKHVSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@H]([NH2+][C@H]1CCN(C)C1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173270 745214339 /nfs/dbraw/zinc/21/43/39/745214339.db2.gz NKSLWZIOONCJSG-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1CCn1cccn1 ZINC001088568484 751986131 /nfs/dbraw/zinc/98/61/31/751986131.db2.gz JLZFWYZSJLVAFK-PVAVHDDUSA-N 1 3 331.464 0.804 20 0 ECADHO Cn1ccc(CN2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)cc1=O ZINC001028263649 751992936 /nfs/dbraw/zinc/99/29/36/751992936.db2.gz VJYQFASKWIEMLT-INIZCTEOSA-N 1 3 344.459 0.562 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001000200035 745339306 /nfs/dbraw/zinc/33/93/06/745339306.db2.gz OJTUWIIVMBSOQM-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000333364 745434047 /nfs/dbraw/zinc/43/40/47/745434047.db2.gz OIOXKJLLBGRXMC-HIFRSBDPSA-N 1 3 336.480 0.563 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000333364 745434049 /nfs/dbraw/zinc/43/40/49/745434049.db2.gz OIOXKJLLBGRXMC-HIFRSBDPSA-N 1 3 336.480 0.563 20 0 ECADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001000574549 745609451 /nfs/dbraw/zinc/60/94/51/745609451.db2.gz UXWXBBCDHQFKKZ-OAHLLOKOSA-N 1 3 349.479 0.612 20 0 ECADHO CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000712967 745716472 /nfs/dbraw/zinc/71/64/72/745716472.db2.gz UFBUSEDACYALQZ-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO COCCN1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804124 745748193 /nfs/dbraw/zinc/74/81/93/745748193.db2.gz WUJFBEAQKXCZMI-GOEBONIOSA-N 1 3 335.452 0.237 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC000978069691 745875683 /nfs/dbraw/zinc/87/56/83/745875683.db2.gz PBZYWWMDRCQRFJ-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCn1nc(C)nc1C ZINC001087828431 746431914 /nfs/dbraw/zinc/43/19/14/746431914.db2.gz KZMIZYQYHJMFMO-IXDOHACOSA-N 1 3 348.495 0.816 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCn1nc(C)nc1C ZINC001087828431 746431915 /nfs/dbraw/zinc/43/19/15/746431915.db2.gz KZMIZYQYHJMFMO-IXDOHACOSA-N 1 3 348.495 0.816 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001001884117 746784259 /nfs/dbraw/zinc/78/42/59/746784259.db2.gz BECPNGRYYNIRCY-HOTGVXAUSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001001884117 746784264 /nfs/dbraw/zinc/78/42/64/746784264.db2.gz BECPNGRYYNIRCY-HOTGVXAUSA-N 1 3 336.480 0.528 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027681381 746797654 /nfs/dbraw/zinc/79/76/54/746797654.db2.gz VMOYUSJLNIFZCM-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027681381 746797657 /nfs/dbraw/zinc/79/76/57/746797657.db2.gz VMOYUSJLNIFZCM-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CC1CCN(CC(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001001996698 746871612 /nfs/dbraw/zinc/87/16/12/746871612.db2.gz WYFSUMRCGODKLF-INIZCTEOSA-N 1 3 336.480 0.245 20 0 ECADHO CC1CCN(CC(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001001996698 746871621 /nfs/dbraw/zinc/87/16/21/746871621.db2.gz WYFSUMRCGODKLF-INIZCTEOSA-N 1 3 336.480 0.245 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC000984806546 746962099 /nfs/dbraw/zinc/96/20/99/746962099.db2.gz 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748871895 /nfs/dbraw/zinc/87/18/95/748871895.db2.gz CAVPNXACPWXYAG-NDUQDZPOSA-N 1 3 337.464 0.203 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001088381869 748981544 /nfs/dbraw/zinc/98/15/44/748981544.db2.gz OWQAKEQZFFHTIQ-IRXDYDNUSA-N 1 3 348.495 0.981 20 0 ECADHO C[N@H+](C[C@H]1CCc2ncnn21)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786457 749097236 /nfs/dbraw/zinc/09/72/36/749097236.db2.gz DGOPOTXOBXPUTF-MRXNPFEDSA-N 1 3 346.479 0.784 20 0 ECADHO C[N@@H+](C[C@H]1CCc2ncnn21)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786457 749097244 /nfs/dbraw/zinc/09/72/44/749097244.db2.gz DGOPOTXOBXPUTF-MRXNPFEDSA-N 1 3 346.479 0.784 20 0 ECADHO CN(C)c1ccncc1C(=O)NC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001003982809 749106015 /nfs/dbraw/zinc/10/60/15/749106015.db2.gz AVDDBAZNKOKDMT-MRXNPFEDSA-N 1 3 345.447 0.620 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004253357 749359156 /nfs/dbraw/zinc/35/91/56/749359156.db2.gz GGWARGFFOVBVKM-HLIUYOAVSA-N 1 3 347.463 0.790 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004253357 749359163 /nfs/dbraw/zinc/35/91/63/749359163.db2.gz GGWARGFFOVBVKM-HLIUYOAVSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H]1C[C@H](CNCc2cn(C)nn2)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000980700943 749984520 /nfs/dbraw/zinc/98/45/20/749984520.db2.gz VWHGDZQCQGLLNS-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1C[C@H](CNCc2cn(C)nn2)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000980700943 749984522 /nfs/dbraw/zinc/98/45/22/749984522.db2.gz VWHGDZQCQGLLNS-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO CN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC001029947639 750030099 /nfs/dbraw/zinc/03/00/99/750030099.db2.gz URXFKOKUPGFDIO-HOTGVXAUSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CC[C@H]([N@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC001029947639 750030104 /nfs/dbraw/zinc/03/01/04/750030104.db2.gz URXFKOKUPGFDIO-HOTGVXAUSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1)C1CCC1 ZINC001029971230 750155636 /nfs/dbraw/zinc/15/56/36/750155636.db2.gz SHDTZDXSYXJVMO-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1)C1CCC1 ZINC001029971230 750155639 /nfs/dbraw/zinc/15/56/39/750155639.db2.gz SHDTZDXSYXJVMO-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987359304 750753974 /nfs/dbraw/zinc/75/39/74/750753974.db2.gz NEXXGEISGUAUIP-GOEBONIOSA-N 1 3 331.464 0.903 20 0 ECADHO CN(C(=O)C1CC[NH+](C)CC1)C1CCN(CCn2cncn2)CC1 ZINC001005935704 750817448 /nfs/dbraw/zinc/81/74/48/750817448.db2.gz ZSQOLRRMRSUTHM-UHFFFAOYSA-N 1 3 334.468 0.543 20 0 ECADHO COc1ncc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)c(C)n1 ZINC000987520612 750938414 /nfs/dbraw/zinc/93/84/14/750938414.db2.gz SERAINZXMHXASD-HOCLYGCPSA-N 1 3 347.463 0.968 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006119719 751038280 /nfs/dbraw/zinc/03/82/80/751038280.db2.gz RPZDLBWTTVNTKI-KGLIPLIRSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006119719 751038286 /nfs/dbraw/zinc/03/82/86/751038286.db2.gz RPZDLBWTTVNTKI-KGLIPLIRSA-N 1 3 336.480 0.386 20 0 ECADHO CN(CC(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001059820760 751093724 /nfs/dbraw/zinc/09/37/24/751093724.db2.gz FQFPUESOWCIHDM-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CN2CCCC2)C1 ZINC001006336835 751259117 /nfs/dbraw/zinc/25/91/17/751259117.db2.gz JJGSLNUENPVQAN-AWEZNQCLSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001021096467 752536858 /nfs/dbraw/zinc/53/68/58/752536858.db2.gz UKKUBPSMCZHWOP-YHUYYLMFSA-N 1 3 346.479 0.877 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000938043240 752744044 /nfs/dbraw/zinc/74/40/44/752744044.db2.gz FDZDSYVNKIRZOT-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000938043240 752744046 /nfs/dbraw/zinc/74/40/46/752744046.db2.gz FDZDSYVNKIRZOT-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988960445 753082002 /nfs/dbraw/zinc/08/20/02/753082002.db2.gz MKZNLLVRNPVCED-GOEBONIOSA-N 1 3 346.475 0.949 20 0 ECADHO CCCCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372357 753674155 /nfs/dbraw/zinc/67/41/55/753674155.db2.gz BIBPDWVIHNGIMC-CQSZACIVSA-N 1 3 334.468 0.893 20 0 ECADHO CCCCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372357 753674159 /nfs/dbraw/zinc/67/41/59/753674159.db2.gz BIBPDWVIHNGIMC-CQSZACIVSA-N 1 3 334.468 0.893 20 0 ECADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(N)=O)CCC1 ZINC001105568384 753839346 /nfs/dbraw/zinc/83/93/46/753839346.db2.gz NUKGYMDBDQRHQV-OAHLLOKOSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989521923 754076317 /nfs/dbraw/zinc/07/63/17/754076317.db2.gz LWQMQMJYPPPADG-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO COC[C@@H](C)N1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008827170 754166501 /nfs/dbraw/zinc/16/65/01/754166501.db2.gz JKMWSMWTYUVCMS-GDBMZVCRSA-N 1 3 337.468 0.674 20 0 ECADHO CO[C@@H](C)CN1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008829804 754169677 /nfs/dbraw/zinc/16/96/77/754169677.db2.gz UAGYBVJWRAITFG-HOCLYGCPSA-N 1 3 337.468 0.674 20 0 ECADHO C[C@@H]1C[C@@H](NCc2cncn2C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989618435 754193309 /nfs/dbraw/zinc/19/33/09/754193309.db2.gz JRPFOBQYMMZKIO-HUUCEWRRSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989800309 754436993 /nfs/dbraw/zinc/43/69/93/754436993.db2.gz QPUUFTMXUUONNU-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)CNC(=O)C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168344985 754762830 /nfs/dbraw/zinc/76/28/30/754762830.db2.gz JAYAAIOPCPBNCF-UHFFFAOYSA-N 1 3 340.512 0.975 20 0 ECADHO COCCN1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407686 756471253 /nfs/dbraw/zinc/47/12/53/756471253.db2.gz RHOXTHIEETXXNX-GOEBONIOSA-N 1 3 325.453 0.276 20 0 ECADHO Cn1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076569511 756669596 /nfs/dbraw/zinc/66/95/96/756669596.db2.gz ZDTVFVIZMUEDKD-YESZJQIVSA-N 1 3 344.459 0.370 20 0 ECADHO Cn1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076569511 756669601 /nfs/dbraw/zinc/66/96/01/756669601.db2.gz ZDTVFVIZMUEDKD-YESZJQIVSA-N 1 3 344.459 0.370 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001076658118 756797437 /nfs/dbraw/zinc/79/74/37/756797437.db2.gz HFAQIEQACHDUJO-GOEBONIOSA-N 1 3 338.496 0.681 20 0 ECADHO CC1CCN(CC(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001011159619 757065110 /nfs/dbraw/zinc/06/51/10/757065110.db2.gz ZWQWLWTWEKHMOS-MRXNPFEDSA-N 1 3 336.480 0.341 20 0 ECADHO CC1CCN(CC(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001011159619 757065119 /nfs/dbraw/zinc/06/51/19/757065119.db2.gz ZWQWLWTWEKHMOS-MRXNPFEDSA-N 1 3 336.480 0.341 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)CN2CC[C@H](C)C2)CC1)[NH+](C)C ZINC001011268154 757346612 /nfs/dbraw/zinc/34/66/12/757346612.db2.gz PQVCEMXTHNWEBO-RDJZCZTQSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001021380871 757371980 /nfs/dbraw/zinc/37/19/80/757371980.db2.gz ZEOIEKZIAPAIPR-XYTVBORESA-N 1 3 346.479 0.874 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001021380871 757371990 /nfs/dbraw/zinc/37/19/90/757371990.db2.gz ZEOIEKZIAPAIPR-XYTVBORESA-N 1 3 346.479 0.874 20 0 ECADHO C[NH+]1CCC(CC(=O)N2C[C@H](N[C@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996385906 757514155 /nfs/dbraw/zinc/51/41/55/757514155.db2.gz MFSYXADRSVYLHV-GJZGRUSLSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001076925300 757616314 /nfs/dbraw/zinc/61/63/14/757616314.db2.gz CYRAJNNGRIKWNR-CABCVRRESA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001076925300 757616321 /nfs/dbraw/zinc/61/63/21/757616321.db2.gz CYRAJNNGRIKWNR-CABCVRRESA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001076974217 757815951 /nfs/dbraw/zinc/81/59/51/757815951.db2.gz NVSUZQNCBDWWSW-JJXSEGSLSA-N 1 3 340.512 0.924 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001076974217 757815966 /nfs/dbraw/zinc/81/59/66/757815966.db2.gz NVSUZQNCBDWWSW-JJXSEGSLSA-N 1 3 340.512 0.924 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049059047 757816810 /nfs/dbraw/zinc/81/68/10/757816810.db2.gz LTJVLUINEVLSBQ-XUWVNRHRSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049059047 757816821 /nfs/dbraw/zinc/81/68/21/757816821.db2.gz LTJVLUINEVLSBQ-XUWVNRHRSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059047 757816832 /nfs/dbraw/zinc/81/68/32/757816832.db2.gz LTJVLUINEVLSBQ-XUWVNRHRSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059047 757816845 /nfs/dbraw/zinc/81/68/45/757816845.db2.gz LTJVLUINEVLSBQ-XUWVNRHRSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)C1 ZINC001049059529 757822844 /nfs/dbraw/zinc/82/28/44/757822844.db2.gz SSLYCTJPUVTRMM-ZACQAIPSSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)C1 ZINC001049059529 757822857 /nfs/dbraw/zinc/82/28/57/757822857.db2.gz SSLYCTJPUVTRMM-ZACQAIPSSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001049059920 757827145 /nfs/dbraw/zinc/82/71/45/757827145.db2.gz JUVWQMCQERRWAW-MXASKKJJSA-N 1 3 331.464 0.508 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001049059920 757827156 /nfs/dbraw/zinc/82/71/56/757827156.db2.gz JUVWQMCQERRWAW-MXASKKJJSA-N 1 3 331.464 0.508 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C1)N(C)C ZINC001049066183 757858565 /nfs/dbraw/zinc/85/85/65/757858565.db2.gz DUEALITYJGMIOU-XHSDSOJGSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2C1)N(C)C ZINC001049066183 757858573 /nfs/dbraw/zinc/85/85/73/757858573.db2.gz DUEALITYJGMIOU-XHSDSOJGSA-N 1 3 336.480 0.339 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001049100493 757958187 /nfs/dbraw/zinc/95/81/87/757958187.db2.gz JOLGXLNAWUUMKK-CWRNSKLLSA-N 1 3 336.480 0.243 20 0 ECADHO Cn1cc(CN2C[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)cn1 ZINC001049170655 758207164 /nfs/dbraw/zinc/20/71/64/758207164.db2.gz AYNYSTQDPWLEQA-OIISXLGYSA-N 1 3 331.464 0.652 20 0 ECADHO Cn1cc(CN2C[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)cn1 ZINC001049170655 758207167 /nfs/dbraw/zinc/20/71/67/758207167.db2.gz AYNYSTQDPWLEQA-OIISXLGYSA-N 1 3 331.464 0.652 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001051661527 762621672 /nfs/dbraw/zinc/62/16/72/762621672.db2.gz VLEICCRMLWCLJX-RDJZCZTQSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001051661527 762621675 /nfs/dbraw/zinc/62/16/75/762621675.db2.gz VLEICCRMLWCLJX-RDJZCZTQSA-N 1 3 349.479 0.612 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)n1 ZINC000996666301 758414209 /nfs/dbraw/zinc/41/42/09/758414209.db2.gz QEGZFZMNVZMBIG-UHFFFAOYSA-N 1 3 348.495 0.960 20 0 ECADHO C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CCC[C@H]1C ZINC001077182305 758433780 /nfs/dbraw/zinc/43/37/80/758433780.db2.gz JTKZZOJNQXVAHH-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996672649 758437374 /nfs/dbraw/zinc/43/73/74/758437374.db2.gz QFWXAKDOBYRMCJ-HNNXBMFYSA-N 1 3 332.448 0.674 20 0 ECADHO CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1N[C@H]1CCNC1=O ZINC000996675539 758442893 /nfs/dbraw/zinc/44/28/93/758442893.db2.gz ZOEZKJKTOAKQKU-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996680794 758457741 /nfs/dbraw/zinc/45/77/41/758457741.db2.gz VFOUMUWPCCDCSC-MRXNPFEDSA-N 1 3 334.468 0.719 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO2)cn1 ZINC001051667474 762639808 /nfs/dbraw/zinc/63/98/08/762639808.db2.gz PPVXQHFWSAVBDA-IRXDYDNUSA-N 1 3 349.479 0.688 20 0 ECADHO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000996730543 758664953 /nfs/dbraw/zinc/66/49/53/758664953.db2.gz UOBNTBVAYPNVGX-MRXNPFEDSA-N 1 3 334.468 0.863 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022452280 758742851 /nfs/dbraw/zinc/74/28/51/758742851.db2.gz LHEFNCLOWWUPPH-RFROQXIJSA-N 1 3 349.475 0.656 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022452476 758743282 /nfs/dbraw/zinc/74/32/82/758743282.db2.gz MWLGAVJFWQJILS-VFCUDAIHSA-N 1 3 349.475 0.513 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022646092 758981937 /nfs/dbraw/zinc/98/19/37/758981937.db2.gz AFQKAGGIYHRJLX-GASCZTMLSA-N 1 3 334.468 0.685 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001022712226 759026509 /nfs/dbraw/zinc/02/65/09/759026509.db2.gz MVRUPHWTDFRIOZ-YUELXQCFSA-N 1 3 333.436 0.706 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001022712226 759026518 /nfs/dbraw/zinc/02/65/18/759026518.db2.gz MVRUPHWTDFRIOZ-YUELXQCFSA-N 1 3 333.436 0.706 20 0 ECADHO O=C(N1CCC[C@H]2[C@@H]1CCN2CCn1cncn1)C12CC[NH+](CC1)C2 ZINC001049845091 759291950 /nfs/dbraw/zinc/29/19/50/759291950.db2.gz ACNNYFUOAOXMFT-HOTGVXAUSA-N 1 3 344.463 0.439 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1 ZINC001107040889 759497490 /nfs/dbraw/zinc/49/74/90/759497490.db2.gz RZGORIYMCHDAAK-NVXWUHKLSA-N 1 3 335.496 0.987 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC001107042203 759503147 /nfs/dbraw/zinc/50/31/47/759503147.db2.gz ACYFSDSLDDQXQX-QLFBSQMISA-N 1 3 326.485 0.487 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001050075953 759662161 /nfs/dbraw/zinc/66/21/61/759662161.db2.gz QVUJOYRABJNGIR-XUWVNRHRSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001050075953 759662166 /nfs/dbraw/zinc/66/21/66/759662166.db2.gz QVUJOYRABJNGIR-XUWVNRHRSA-N 1 3 336.480 0.528 20 0 ECADHO CCn1cc(CN[C@@H](C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001048041527 759871521 /nfs/dbraw/zinc/87/15/21/759871521.db2.gz XZSVZXXFSNXXGT-LSDHHAIUSA-N 1 3 346.479 0.720 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001054296493 767904148 /nfs/dbraw/zinc/90/41/48/767904148.db2.gz VJZVIPGNLJXLHM-BZUAXINKSA-N 1 3 338.496 0.917 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000945399152 760220949 /nfs/dbraw/zinc/22/09/49/760220949.db2.gz MYMHVYDIFCLLQV-IRXDYDNUSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNCc1nncn1C ZINC001048437511 760527748 /nfs/dbraw/zinc/52/77/48/760527748.db2.gz CSWHXZCAMJGGOS-ZIAGYGMSSA-N 1 3 332.452 0.095 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNCc1cn(C)nn1 ZINC001048441124 760535132 /nfs/dbraw/zinc/53/51/32/760535132.db2.gz OGHXJOFZFJESBF-KGLIPLIRSA-N 1 3 332.452 0.095 20 0 ECADHO COc1cc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)on1 ZINC001048441905 760537517 /nfs/dbraw/zinc/53/75/17/760537517.db2.gz SYQONLJLEQUTEP-ZIAGYGMSSA-N 1 3 348.447 0.963 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000995798451 760621789 /nfs/dbraw/zinc/62/17/89/760621789.db2.gz CSPWEYSAYPKLEM-KRWDZBQOSA-N 1 3 344.459 0.783 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543401 760688690 /nfs/dbraw/zinc/68/86/90/760688690.db2.gz XIYYTYFMKYSJTH-MUJYYYPQSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001048546924 760694634 /nfs/dbraw/zinc/69/46/34/760694634.db2.gz JBRUIJKIZWMPGZ-TVTURPDQSA-N 1 3 349.475 0.201 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001048546924 760694639 /nfs/dbraw/zinc/69/46/39/760694639.db2.gz JBRUIJKIZWMPGZ-TVTURPDQSA-N 1 3 349.475 0.201 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048570828 760732149 /nfs/dbraw/zinc/73/21/49/760732149.db2.gz WZIQQSUJMFBGMQ-ZOFXXKQRSA-N 1 3 348.491 0.848 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048570828 760732156 /nfs/dbraw/zinc/73/21/56/760732156.db2.gz WZIQQSUJMFBGMQ-ZOFXXKQRSA-N 1 3 348.491 0.848 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1)C1CC1 ZINC000995892733 760735941 /nfs/dbraw/zinc/73/59/41/760735941.db2.gz GDRMGGZTFUKCMN-HOCLYGCPSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050731061 760748181 /nfs/dbraw/zinc/74/81/81/760748181.db2.gz SFZVSKPDWFHYIV-GJZGRUSLSA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050731061 760748184 /nfs/dbraw/zinc/74/81/84/760748184.db2.gz SFZVSKPDWFHYIV-GJZGRUSLSA-N 1 3 336.480 0.517 20 0 ECADHO CN(CC(=O)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)C(C)(C)C1)C1CCC1 ZINC000995919448 760776497 /nfs/dbraw/zinc/77/64/97/760776497.db2.gz QWHIHPVJHNLMGJ-LSDHHAIUSA-N 1 3 336.480 0.576 20 0 ECADHO CN(CC(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1)C1CCC1 ZINC000995920233 760778280 /nfs/dbraw/zinc/77/82/80/760778280.db2.gz UGMCJUBNHNYTIU-OAHLLOKOSA-N 1 3 334.468 0.589 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCN2CCNC2=O)C(C)(C)C1)N(C)C ZINC000995953370 760856711 /nfs/dbraw/zinc/85/67/11/760856711.db2.gz UQILWZBOWYFKGU-ZIAGYGMSSA-N 1 3 339.484 0.178 20 0 ECADHO C[C@H](N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C)C(N)=O ZINC000995972122 760903216 /nfs/dbraw/zinc/90/32/16/760903216.db2.gz YCFYFEXDWAFGDE-UONOGXRCSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1)C1CC1 ZINC000991440813 760958041 /nfs/dbraw/zinc/95/80/41/760958041.db2.gz LELSSDAFNXTYPR-KRWDZBQOSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(C)(C)C ZINC001127082273 761020737 /nfs/dbraw/zinc/02/07/37/761020737.db2.gz NYZQMDWTPASZHP-ZIAGYGMSSA-N 1 3 326.485 0.868 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(C)(C)C ZINC001127082273 761020746 /nfs/dbraw/zinc/02/07/46/761020746.db2.gz NYZQMDWTPASZHP-ZIAGYGMSSA-N 1 3 326.485 0.868 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249490 768015515 /nfs/dbraw/zinc/01/55/15/768015515.db2.gz JFXYWQBAVCLGRU-FRFSOERESA-N 1 3 338.496 0.537 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106250057 768017160 /nfs/dbraw/zinc/01/71/60/768017160.db2.gz XISLCRRMBRCBFA-SUYBPPKGSA-N 1 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ZINC001031857095 763090957 /nfs/dbraw/zinc/09/09/57/763090957.db2.gz QAYJSSGYIZOICS-FVWRDLLJSA-N 1 3 337.464 0.323 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@](C)(C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001046899524 763340908 /nfs/dbraw/zinc/34/09/08/763340908.db2.gz IRZITYRKUPULMU-MAUKXSAKSA-N 1 3 336.480 0.435 20 0 ECADHO Cc1ccc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)c(C)n1 ZINC001051930508 763364443 /nfs/dbraw/zinc/36/44/43/763364443.db2.gz NYYPRCYMQPYAMZ-ROUUACIJSA-N 1 3 346.475 0.967 20 0 ECADHO Cc1ccc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)c(C)n1 ZINC001051930508 763364453 /nfs/dbraw/zinc/36/44/53/763364453.db2.gz NYYPRCYMQPYAMZ-ROUUACIJSA-N 1 3 346.475 0.967 20 0 ECADHO COCC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3ccnc3C)C2)CC1 ZINC001052118624 763933313 /nfs/dbraw/zinc/93/33/13/763933313.db2.gz SZWHHGNTPYKDGI-MRXNPFEDSA-N 1 3 335.452 0.056 20 0 ECADHO CC(C)(C(=O)NC1CN(C(=O)CN2CCCC2)C1)[NH+]1CCCCC1 ZINC000991851636 763989589 /nfs/dbraw/zinc/98/95/89/763989589.db2.gz DXLZCYFOASQLCN-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001047408440 764252945 /nfs/dbraw/zinc/25/29/45/764252945.db2.gz XZWOAIBEDMRLDF-IKGGRYGDSA-N 1 3 339.480 0.543 20 0 ECADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047408440 764252954 /nfs/dbraw/zinc/25/29/54/764252954.db2.gz XZWOAIBEDMRLDF-IKGGRYGDSA-N 1 3 339.480 0.543 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC001054739023 768214702 /nfs/dbraw/zinc/21/47/02/768214702.db2.gz RSRKBODDCAHLOE-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC001054740000 768215116 /nfs/dbraw/zinc/21/51/16/768215116.db2.gz UNBNXEDAAOMIDI-ZBFHGGJFSA-N 1 3 333.480 0.883 20 0 ECADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001047537474 764627455 /nfs/dbraw/zinc/62/74/55/764627455.db2.gz KYCIOZRDLHRYJR-OWSLCNJRSA-N 1 3 331.460 0.855 20 0 ECADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001047537474 764627462 /nfs/dbraw/zinc/62/74/62/764627462.db2.gz KYCIOZRDLHRYJR-OWSLCNJRSA-N 1 3 331.460 0.855 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn3cncc3c2)CC1 ZINC001052529329 764699375 /nfs/dbraw/zinc/69/93/75/764699375.db2.gz BISUAUSJLTZNRK-CQSZACIVSA-N 1 3 329.404 0.665 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccn3cncc3c2)CC1 ZINC001052529329 764699380 /nfs/dbraw/zinc/69/93/80/764699380.db2.gz BISUAUSJLTZNRK-CQSZACIVSA-N 1 3 329.404 0.665 20 0 ECADHO C[C@H](O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001017660759 768261700 /nfs/dbraw/zinc/26/17/00/768261700.db2.gz ODPMDDKDPPGZQL-HRCADAONSA-N 1 3 339.480 0.401 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001052783822 765114763 /nfs/dbraw/zinc/11/47/63/765114763.db2.gz UHNHTWPONMXFIG-LSDHHAIUSA-N 1 3 326.485 0.489 20 0 ECADHO Cn1ccc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1=O ZINC001015649760 765124545 /nfs/dbraw/zinc/12/45/45/765124545.db2.gz ZJGCNAKGSJLVTF-MRXNPFEDSA-N 1 3 332.448 0.418 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1NCC(=O)N1CCC1 ZINC001054791569 768278473 /nfs/dbraw/zinc/27/84/73/768278473.db2.gz QWNCXUHTTVGTNZ-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO Cn1ccc(CN2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)cc1=O ZINC001015792956 765329092 /nfs/dbraw/zinc/32/90/92/765329092.db2.gz ICIHDLYRVQZBLH-QGZVFWFLSA-N 1 3 346.475 0.808 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001015797226 765335713 /nfs/dbraw/zinc/33/57/13/765335713.db2.gz ZYYKSDWDBDMLMN-CVEARBPZSA-N 1 3 346.479 0.688 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1ccnn1C ZINC001054853884 768337757 /nfs/dbraw/zinc/33/77/57/768337757.db2.gz LGZBJWQDTDQYIV-GDBMZVCRSA-N 1 3 331.464 0.985 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001053502830 766246215 /nfs/dbraw/zinc/24/62/15/766246215.db2.gz DNNAFQKKCRASMW-UONOGXRCSA-N 1 3 335.452 0.505 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001077516171 766360460 /nfs/dbraw/zinc/36/04/60/766360460.db2.gz GBJDNEGVMCLJLT-KBPBESRZSA-N 1 3 326.485 0.679 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001045817852 766402235 /nfs/dbraw/zinc/40/22/35/766402235.db2.gz ZIFSDWLKLXWUKX-XFHVWQCUSA-N 1 3 349.475 0.297 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001045817852 766402242 /nfs/dbraw/zinc/40/22/42/766402242.db2.gz ZIFSDWLKLXWUKX-XFHVWQCUSA-N 1 3 349.475 0.297 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001016531740 766449332 /nfs/dbraw/zinc/44/93/32/766449332.db2.gz SCECIBQRNKGVTK-OFLPRAFFSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089595818 766592885 /nfs/dbraw/zinc/59/28/85/766592885.db2.gz QBRBORZNSZWCOW-WBVHZDCISA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089595818 766592889 /nfs/dbraw/zinc/59/28/89/766592889.db2.gz QBRBORZNSZWCOW-WBVHZDCISA-N 1 3 346.479 0.893 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001031715619 766717510 /nfs/dbraw/zinc/71/75/10/766717510.db2.gz XUSUZSOTMOULEH-HOTGVXAUSA-N 1 3 346.479 0.688 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001031715619 766717518 /nfs/dbraw/zinc/71/75/18/766717518.db2.gz XUSUZSOTMOULEH-HOTGVXAUSA-N 1 3 346.479 0.688 20 0 ECADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106133089 766803035 /nfs/dbraw/zinc/80/30/35/766803035.db2.gz HFLPOWBCDFIHEJ-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046064365 766845072 /nfs/dbraw/zinc/84/50/72/766845072.db2.gz LSHZIINGHGCLIJ-SJORKVTESA-N 1 3 338.496 0.072 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046064365 766845083 /nfs/dbraw/zinc/84/50/83/766845083.db2.gz LSHZIINGHGCLIJ-SJORKVTESA-N 1 3 338.496 0.072 20 0 ECADHO Cc1nn(C)cc1CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576625 767058267 /nfs/dbraw/zinc/05/82/67/767058267.db2.gz UNNITCGFQFSIIP-UHFFFAOYSA-N 1 3 333.440 0.006 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)c3[nH]nc4c3CNCC4)CC2)CC1 ZINC000446271286 767166991 /nfs/dbraw/zinc/16/69/91/767166991.db2.gz XAUPWGPUEGIATH-UHFFFAOYSA-N 1 3 346.479 0.344 20 0 ECADHO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2c1CNCC2)Cc1ccccc1 ZINC000446278666 767167703 /nfs/dbraw/zinc/16/77/03/767167703.db2.gz BLJSISYCKMXHRP-CQSZACIVSA-N 1 3 327.432 0.958 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2cccs2)CC[N@@H+]1C ZINC001127644057 767393750 /nfs/dbraw/zinc/39/37/50/767393750.db2.gz SQMAEGXGPGENEV-TZMCWYRMSA-N 1 3 338.477 0.410 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2cccs2)CC[N@H+]1C ZINC001127644057 767393761 /nfs/dbraw/zinc/39/37/61/767393761.db2.gz SQMAEGXGPGENEV-TZMCWYRMSA-N 1 3 338.477 0.410 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)C1 ZINC000992822586 767638563 /nfs/dbraw/zinc/63/85/63/767638563.db2.gz WSBIDFNDTHENBS-ZNMIVQPWSA-N 1 3 336.480 0.420 20 0 ECADHO Cn1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)CN4CCCC4)C[C@@H]32)nn1 ZINC000992903796 767767042 /nfs/dbraw/zinc/76/70/42/767767042.db2.gz CTGQLBUTLMVPKC-BHYGNILZSA-N 1 3 346.479 0.628 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)C1 ZINC000992933517 767809055 /nfs/dbraw/zinc/80/90/55/767809055.db2.gz CQVRWMLCNKCFBW-IYOUNJFTSA-N 1 3 345.447 0.211 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)C1 ZINC000992933517 767809063 /nfs/dbraw/zinc/80/90/63/767809063.db2.gz CQVRWMLCNKCFBW-IYOUNJFTSA-N 1 3 345.447 0.211 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099259705 768795637 /nfs/dbraw/zinc/79/56/37/768795637.db2.gz UFSQDPOWUQXNOQ-UPJWGTAASA-N 1 3 337.386 0.832 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099259705 768795641 /nfs/dbraw/zinc/79/56/41/768795641.db2.gz UFSQDPOWUQXNOQ-UPJWGTAASA-N 1 3 337.386 0.832 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1)N(C)C ZINC001055385214 768843234 /nfs/dbraw/zinc/84/32/34/768843234.db2.gz WOUAZOXLFHHVQG-OWCLPIDISA-N 1 3 338.496 0.585 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1)N(C)C ZINC001055385214 768843247 /nfs/dbraw/zinc/84/32/47/768843247.db2.gz WOUAZOXLFHHVQG-OWCLPIDISA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1)N(C)C ZINC001055412046 768870890 /nfs/dbraw/zinc/87/08/90/768870890.db2.gz YHXATLKKNSSLJS-HLLBOEOZSA-N 1 3 338.496 0.441 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001018232370 768931605 /nfs/dbraw/zinc/93/16/05/768931605.db2.gz PDWLVVANWKVEFB-UKRRQHHQSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000993826617 769690143 /nfs/dbraw/zinc/69/01/43/769690143.db2.gz BPUAPLAHZUAMMS-ZIAGYGMSSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000993830618 769700415 /nfs/dbraw/zinc/70/04/15/769700415.db2.gz KMEMGBNOURKLBR-GASCZTMLSA-N 1 3 348.491 0.815 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000993868410 769817128 /nfs/dbraw/zinc/81/71/28/769817128.db2.gz XZHWLTUYWWELGI-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993868410 769817140 /nfs/dbraw/zinc/81/71/40/769817140.db2.gz XZHWLTUYWWELGI-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](CN[C@H](C)c2nncn2C)[C@H](C)C1 ZINC001106839783 770029386 /nfs/dbraw/zinc/02/93/86/770029386.db2.gz OFEGGDVSMDUMII-RBSFLKMASA-N 1 3 336.484 0.902 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](CN[C@H](C)c2nncn2C)[C@H](C)C1 ZINC001106839783 770029395 /nfs/dbraw/zinc/02/93/95/770029395.db2.gz OFEGGDVSMDUMII-RBSFLKMASA-N 1 3 336.484 0.902 20 0 ECADHO CC(C)N1CC[C@H](N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001019087988 770754932 /nfs/dbraw/zinc/75/49/32/770754932.db2.gz IQOWDHUBCCEKGC-HOTGVXAUSA-N 1 3 348.491 0.815 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCOCCO)C1 ZINC001099333841 771215476 /nfs/dbraw/zinc/21/54/76/771215476.db2.gz BHONPSVWGDHVFW-HOTGVXAUSA-N 1 3 341.496 0.554 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCOCCO)C1 ZINC001099333841 771215479 /nfs/dbraw/zinc/21/54/79/771215479.db2.gz BHONPSVWGDHVFW-HOTGVXAUSA-N 1 3 341.496 0.554 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001019381147 771227952 /nfs/dbraw/zinc/22/79/52/771227952.db2.gz ZMUCQMRDAXKPCR-PBHICJAKSA-N 1 3 344.459 0.960 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC1CCCCC1 ZINC001127475272 771305775 /nfs/dbraw/zinc/30/57/75/771305775.db2.gz SAZGKNJCNDBISC-INIZCTEOSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCCCCC1 ZINC001019659878 771683397 /nfs/dbraw/zinc/68/33/97/771683397.db2.gz PWNHAYPWGBSCPX-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO Cc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001020178982 772249797 /nfs/dbraw/zinc/24/97/97/772249797.db2.gz KKDONAHJHFDVRD-XLAORIBOSA-N 1 3 344.459 0.990 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406326 772550093 /nfs/dbraw/zinc/55/00/93/772550093.db2.gz RAFUXDNBHPYKFS-JBWWOZQKSA-N 1 3 342.443 0.682 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044757025 774583345 /nfs/dbraw/zinc/58/33/45/774583345.db2.gz SQIIAHWDLWSEOB-CHWSQXEVSA-N 1 3 347.419 0.070 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001045217842 775164456 /nfs/dbraw/zinc/16/44/56/775164456.db2.gz ATGSPJXHJZYZSM-ZFWWWQNUSA-N 1 3 333.436 0.449 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(CCN3CCCC3=O)CC2)C1 ZINC001045639259 775946732 /nfs/dbraw/zinc/94/67/32/775946732.db2.gz FNKYPRZMFJJFOB-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(CCN3CCCC3=O)CC2)C1 ZINC001045639259 775946742 /nfs/dbraw/zinc/94/67/42/775946742.db2.gz FNKYPRZMFJJFOB-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044741477 776725007 /nfs/dbraw/zinc/72/50/07/776725007.db2.gz BRFFLANJTLKTTN-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001079807465 776912411 /nfs/dbraw/zinc/91/24/11/776912411.db2.gz YPIXNOIAIWPXSJ-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001079816370 776930114 /nfs/dbraw/zinc/93/01/14/776930114.db2.gz CAVUTNMWBOFYLG-GDBMZVCRSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001079816370 776930117 /nfs/dbraw/zinc/93/01/17/776930117.db2.gz CAVUTNMWBOFYLG-GDBMZVCRSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)CN2CCCC2)C1 ZINC001080380138 777770897 /nfs/dbraw/zinc/77/08/97/777770897.db2.gz IFMXZOJPGUKKLJ-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001080383194 777775165 /nfs/dbraw/zinc/77/51/65/777775165.db2.gz SZPGXCOQAACGPO-QGZVFWFLSA-N 1 3 340.512 0.974 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001080559220 778033101 /nfs/dbraw/zinc/03/31/01/778033101.db2.gz AJPYDINIDKPFHK-ZBFHGGJFSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001080559220 778033111 /nfs/dbraw/zinc/03/31/11/778033111.db2.gz AJPYDINIDKPFHK-ZBFHGGJFSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N(C)C2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001043629935 778626825 /nfs/dbraw/zinc/62/68/25/778626825.db2.gz WBBIFCSEVYEOBN-DOTOQJQBSA-N 1 3 339.480 0.665 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]C[C@H]2CCCCO2)C1 ZINC001078479379 779948852 /nfs/dbraw/zinc/94/88/52/779948852.db2.gz XXANLCBTFQIDRL-CVEARBPZSA-N 1 3 336.436 0.728 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001078498452 780020634 /nfs/dbraw/zinc/02/06/34/780020634.db2.gz NBMSXCBPCZXESU-INIZCTEOSA-N 1 3 347.463 0.223 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCc3cncs3)C2)C1 ZINC001078507705 780042916 /nfs/dbraw/zinc/04/29/16/780042916.db2.gz GBKCKZGWCMTFGZ-KBPBESRZSA-N 1 3 338.477 0.802 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCc3cncs3)C2)C1 ZINC001078507705 780042928 /nfs/dbraw/zinc/04/29/28/780042928.db2.gz GBKCKZGWCMTFGZ-KBPBESRZSA-N 1 3 338.477 0.802 20 0 ECADHO CC[C@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440668 781520545 /nfs/dbraw/zinc/52/05/45/781520545.db2.gz PXSGEJLKRNCECZ-CRAIPNDOSA-N 1 3 348.491 0.803 20 0 ECADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070268972 783770289 /nfs/dbraw/zinc/77/02/89/783770289.db2.gz VJMDQKDHVNKRAC-OWCLPIDISA-N 1 3 336.484 0.862 20 0 ECADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275351 783780570 /nfs/dbraw/zinc/78/05/70/783780570.db2.gz HVZISAVFIRGIFN-OAGGEKHMSA-N 1 3 334.468 0.617 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070275594 783780578 /nfs/dbraw/zinc/78/05/78/783780578.db2.gz UVOATXBLCCYMIL-UAGQMJEPSA-N 1 3 346.479 0.762 20 0 ECADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@]2(CCN(CCO)C2)O1 ZINC001071199419 784719343 /nfs/dbraw/zinc/71/93/43/784719343.db2.gz MCOZEYDNJAGBJO-QAPCUYQASA-N 1 3 339.480 0.545 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001071346242 784987477 /nfs/dbraw/zinc/98/74/77/784987477.db2.gz JGSFAJJTNSTLAO-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001071346242 784987478 /nfs/dbraw/zinc/98/74/78/784987478.db2.gz JGSFAJJTNSTLAO-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](NC(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001072151730 785752854 /nfs/dbraw/zinc/75/28/54/785752854.db2.gz GFCMGDLJLBKKFD-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072151731 785753215 /nfs/dbraw/zinc/75/32/15/785753215.db2.gz GFCMGDLJLBKKFD-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO Cc1nc(C)n(CC[N@H+]2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)n1 ZINC001072553568 786359203 /nfs/dbraw/zinc/35/92/03/786359203.db2.gz DFLOOVCIGDKGGV-MRXNPFEDSA-N 1 3 346.479 0.523 20 0 ECADHO Cc1nc(C)n(CC[N@@H+]2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)n1 ZINC001072553568 786359208 /nfs/dbraw/zinc/35/92/08/786359208.db2.gz DFLOOVCIGDKGGV-MRXNPFEDSA-N 1 3 346.479 0.523 20 0 ECADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2CC1 ZINC001074364042 786762271 /nfs/dbraw/zinc/76/22/71/786762271.db2.gz YRXVEIWDALAMSC-GASCZTMLSA-N 1 3 347.463 0.601 20 0 ECADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCN1C(=O)[C@H]1CCCN1C ZINC001074561862 787263019 /nfs/dbraw/zinc/26/30/19/787263019.db2.gz QQSCHTPBNFQHBS-RRQGHBQHSA-N 1 3 344.459 0.959 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CN(C[C@@H](C)O)CCCO2)CC1 ZINC001073841686 787327323 /nfs/dbraw/zinc/32/73/23/787327323.db2.gz QCZKHZIYMXBTOT-WBVHZDCISA-N 1 3 341.496 0.695 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001072621638 788450783 /nfs/dbraw/zinc/45/07/83/788450783.db2.gz DGZXDSABDBZFBK-HUUCEWRRSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001074885357 788486621 /nfs/dbraw/zinc/48/66/21/788486621.db2.gz ZFSRMLUGFIQLNY-SOUVJXGZSA-N 1 3 336.480 0.528 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001072668557 788550690 /nfs/dbraw/zinc/55/06/90/788550690.db2.gz LKBBEGBQNHLCEK-GOEBONIOSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001072675670 788566713 /nfs/dbraw/zinc/56/67/13/788566713.db2.gz YUSKPMDTLYQZOQ-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072756199 788728529 /nfs/dbraw/zinc/72/85/29/788728529.db2.gz MSUZOEMWZFPDBM-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)CC[NH+](C)C ZINC001075035100 788766076 /nfs/dbraw/zinc/76/60/76/788766076.db2.gz YBVVYBHZRRYYDH-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001072801342 788832961 /nfs/dbraw/zinc/83/29/61/788832961.db2.gz QDBWWBFTULMRDB-OCCSQVGLSA-N 1 3 333.436 0.257 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCc1ccnn1C)C2)C1CC1 ZINC001072815039 788871144 /nfs/dbraw/zinc/87/11/44/788871144.db2.gz QCKYIZXLQNIFNA-KRWDZBQOSA-N 1 3 345.491 0.837 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCc1ccnn1C)C2)C1CC1 ZINC001072815039 788871148 /nfs/dbraw/zinc/87/11/48/788871148.db2.gz QCKYIZXLQNIFNA-KRWDZBQOSA-N 1 3 345.491 0.837 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]Cc1cnnn1C ZINC001075291142 789174575 /nfs/dbraw/zinc/17/45/75/789174575.db2.gz YVEWDGKNGPFNGG-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001075291164 789175413 /nfs/dbraw/zinc/17/54/13/789175413.db2.gz ZDOACTZCZADNNI-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](C[C@@H]1C[C@]13CCOC3)C2 ZINC001073016308 789278703 /nfs/dbraw/zinc/27/87/03/789278703.db2.gz SNQXOWFMLWOZER-KSSFIOAISA-N 1 3 330.432 0.913 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](C[C@@H]1C[C@]13CCOC3)C2 ZINC001073016308 789278711 /nfs/dbraw/zinc/27/87/11/789278711.db2.gz SNQXOWFMLWOZER-KSSFIOAISA-N 1 3 330.432 0.913 20 0 ECADHO CC(C)N(C)CC(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001073040624 789328568 /nfs/dbraw/zinc/32/85/68/789328568.db2.gz NXFAHBOYUWJEPB-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073040624 789328577 /nfs/dbraw/zinc/32/85/77/789328577.db2.gz NXFAHBOYUWJEPB-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001067009349 792566039 /nfs/dbraw/zinc/56/60/39/792566039.db2.gz 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C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001408631978 837584589 /nfs/dbraw/zinc/58/45/89/837584589.db2.gz OJRCJHZQFHHEOV-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001408643964 837715811 /nfs/dbraw/zinc/71/58/11/837715811.db2.gz SISFQCHCPXTIGU-JKSUJKDBSA-N 1 3 338.496 0.489 20 0 ECADHO COCCN1CCN(CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001266277787 835603785 /nfs/dbraw/zinc/60/37/85/835603785.db2.gz PVQOLTNDCSJVNF-IRXDYDNUSA-N 1 3 340.512 0.630 20 0 ECADHO C[NH+](C)CCCCC(=O)N1CC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001266562348 835991326 /nfs/dbraw/zinc/99/13/26/835991326.db2.gz XEHMXTQSNMGGHM-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H]1CCCN(C(=O)CNCCN(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001266827218 836352435 /nfs/dbraw/zinc/35/24/35/836352435.db2.gz OPBZQBLGZJUXMO-HNNXBMFYSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@H]1C[C@H](C)CN(C(=O)CNCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001266827052 836352502 /nfs/dbraw/zinc/35/25/02/836352502.db2.gz GYGNRQKQNAKIOO-GJZGRUSLSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@@H]1C[C@H](C)CN(C(=O)CNCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001266827051 836352608 /nfs/dbraw/zinc/35/26/08/836352608.db2.gz GYGNRQKQNAKIOO-GASCZTMLSA-N 1 3 326.485 0.491 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001267067031 836709307 /nfs/dbraw/zinc/70/93/07/836709307.db2.gz MRZQLTCMCAKVGV-WBVHZDCISA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(CCOCCO)C2)CC[N@@H+]1C ZINC001267770834 838519261 /nfs/dbraw/zinc/51/92/61/838519261.db2.gz SRRGKUWSGQDLJB-JYJNAYRXSA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(CCOCCO)C2)CC[N@H+]1C ZINC001267770834 838519265 /nfs/dbraw/zinc/51/92/65/838519265.db2.gz SRRGKUWSGQDLJB-JYJNAYRXSA-N 1 3 327.469 0.258 20 0 ECADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCOCCO)C1 ZINC001267786917 838566943 /nfs/dbraw/zinc/56/69/43/838566943.db2.gz RLHBCVWOJGWFAL-SJORKVTESA-N 1 3 339.480 0.260 20 0 ECADHO C[C@H](CNCCS(C)(=O)=O)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268069551 839256746 /nfs/dbraw/zinc/25/67/46/839256746.db2.gz YMANTXBRPYBMCK-ZIAGYGMSSA-N 1 3 333.498 0.342 20 0 ECADHO C[C@H](CNCCS(C)(=O)=O)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268069551 839256759 /nfs/dbraw/zinc/25/67/59/839256759.db2.gz YMANTXBRPYBMCK-ZIAGYGMSSA-N 1 3 333.498 0.342 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000354655252 299087220 /nfs/dbraw/zinc/08/72/20/299087220.db2.gz GVXLRJNNHUJYSX-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000354691218 299097442 /nfs/dbraw/zinc/09/74/42/299097442.db2.gz MAWQZADJJSNFGQ-MRXNPFEDSA-N 1 3 348.447 0.824 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)[C@@H]2C1 ZINC000425404372 210054420 /nfs/dbraw/zinc/05/44/20/210054420.db2.gz PSMXZJQILDFJDX-LUKYLMHMSA-N 1 3 348.491 0.482 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)[C@@H]2C1 ZINC000425404372 210054421 /nfs/dbraw/zinc/05/44/21/210054421.db2.gz PSMXZJQILDFJDX-LUKYLMHMSA-N 1 3 348.491 0.482 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420102426 283232571 /nfs/dbraw/zinc/23/25/71/283232571.db2.gz NPQUVDALYXUECK-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)CC1 ZINC000419097351 296015233 /nfs/dbraw/zinc/01/52/33/296015233.db2.gz DTNSVVJFIQSNNK-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCC2CC[NH+](C)CC2)CCN1C ZINC000355860904 299311362 /nfs/dbraw/zinc/31/13/62/299311362.db2.gz ICOUWCQILKOPQB-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000420447437 209368291 /nfs/dbraw/zinc/36/82/91/209368291.db2.gz IYQYRDBGCHOIOM-AWEZNQCLSA-N 1 3 345.513 0.713 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000420428905 209364467 /nfs/dbraw/zinc/36/44/67/209364467.db2.gz LTULRDDLKRHNNY-RISCZKNCSA-N 1 3 343.497 0.480 20 0 ECADHO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345481 209354521 /nfs/dbraw/zinc/35/45/21/209354521.db2.gz VNNUGLBBAFGAKK-XHSDSOJGSA-N 1 3 337.464 0.862 20 0 ECADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355884779 299315233 /nfs/dbraw/zinc/31/52/33/299315233.db2.gz XGOUHJKNBXYMKW-HOCLYGCPSA-N 1 3 338.496 0.633 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420144871 209320445 /nfs/dbraw/zinc/32/04/45/209320445.db2.gz NXJKQPIWCDPTFA-HUUCEWRRSA-N 1 3 326.485 0.681 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC000420109497 209308350 /nfs/dbraw/zinc/30/83/50/209308350.db2.gz YLBOKXLIFHSYHC-UHFFFAOYSA-N 1 3 344.459 0.849 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420070603 209296455 /nfs/dbraw/zinc/29/64/55/209296455.db2.gz JXOVQIATHIJGLL-INIZCTEOSA-N 1 3 338.496 0.955 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077924181 781952810 /nfs/dbraw/zinc/95/28/10/781952810.db2.gz WUQTZWJFEHZLBW-DJIMGWMZSA-N 1 3 339.480 0.305 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419927737 209251277 /nfs/dbraw/zinc/25/12/77/209251277.db2.gz KEGDHOSRQRSGTE-ZBFHGGJFSA-N 1 3 332.448 0.603 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419927737 209251280 /nfs/dbraw/zinc/25/12/80/209251280.db2.gz KEGDHOSRQRSGTE-ZBFHGGJFSA-N 1 3 332.448 0.603 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419894934 209240989 /nfs/dbraw/zinc/24/09/89/209240989.db2.gz RTMHQWYJWZSMFK-CQSZACIVSA-N 1 3 338.477 0.507 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419894307 209240847 /nfs/dbraw/zinc/24/08/47/209240847.db2.gz OTWQGWCODFXVOV-LVQVYYBASA-N 1 3 338.496 0.727 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419832466 209217884 /nfs/dbraw/zinc/21/78/84/209217884.db2.gz YHTAUBMQKLDPBY-CQSZACIVSA-N 1 3 326.485 0.857 20 0 ECADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCCC[NH3+] ZINC000419829818 209216171 /nfs/dbraw/zinc/21/61/71/209216171.db2.gz IUMNKDJRMPQGEQ-UHFFFAOYSA-N 1 3 338.427 0.571 20 0 ECADHO CO[C@H]1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H](CN)C1 ZINC000419794105 209206209 /nfs/dbraw/zinc/20/62/09/209206209.db2.gz DPQSXEACKRQGCE-CABCVRRESA-N 1 3 342.484 0.186 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000238053302 242914739 /nfs/dbraw/zinc/91/47/39/242914739.db2.gz WNKKTJGEFFBFOI-QGZVFWFLSA-N 1 3 344.459 0.738 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(C)CC1 ZINC000356468940 299392298 /nfs/dbraw/zinc/39/22/98/299392298.db2.gz ZSGWJOBHOWARRS-BZUAXINKSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(C)CC1 ZINC000356468940 299392302 /nfs/dbraw/zinc/39/23/02/299392302.db2.gz ZSGWJOBHOWARRS-BZUAXINKSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(C)CC1 ZINC000356468941 299392640 /nfs/dbraw/zinc/39/26/40/299392640.db2.gz ZSGWJOBHOWARRS-OAGGEKHMSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(C)CC1 ZINC000356468941 299392642 /nfs/dbraw/zinc/39/26/42/299392642.db2.gz ZSGWJOBHOWARRS-OAGGEKHMSA-N 1 3 338.496 0.822 20 0 ECADHO CC1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC[NH2+]CC1 ZINC000419690178 209172544 /nfs/dbraw/zinc/17/25/44/209172544.db2.gz BPZJODXCCYHOGL-CQSZACIVSA-N 1 3 336.480 0.625 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419690315 209172045 /nfs/dbraw/zinc/17/20/45/209172045.db2.gz CXNKQHWSMLMRHX-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000419667337 209165484 /nfs/dbraw/zinc/16/54/84/209165484.db2.gz RVWJCXFXPLIGOF-MRXNPFEDSA-N 1 3 345.447 0.364 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000419654825 209158854 /nfs/dbraw/zinc/15/88/54/209158854.db2.gz SJACLNWJAGZFQS-CQSZACIVSA-N 1 3 334.464 0.958 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419653100 209158666 /nfs/dbraw/zinc/15/86/66/209158666.db2.gz FEYSTUOTRZCWCK-NVXWUHKLSA-N 1 3 346.475 0.881 20 0 ECADHO CCCN(C(=O)C(=O)NCc1cccc(CN(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000419651950 209157263 /nfs/dbraw/zinc/15/72/63/209157263.db2.gz WSBWZNKJHIHCBK-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC2CCN(C)CC2)CC1 ZINC000184708391 296181319 /nfs/dbraw/zinc/18/13/19/296181319.db2.gz RYCJLYKOYHYWIJ-CQSZACIVSA-N 1 3 326.485 0.815 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419639553 209153623 /nfs/dbraw/zinc/15/36/23/209153623.db2.gz JRZGHVSZICHHPT-MRXNPFEDSA-N 1 3 332.448 0.575 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000419634266 209151658 /nfs/dbraw/zinc/15/16/58/209151658.db2.gz BYKFKKLTDRASIU-XHSDSOJGSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000419634266 209151661 /nfs/dbraw/zinc/15/16/61/209151661.db2.gz BYKFKKLTDRASIU-XHSDSOJGSA-N 1 3 336.480 0.753 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419577838 209131045 /nfs/dbraw/zinc/13/10/45/209131045.db2.gz FBUSIKIMHDKFRP-CJNGLKHVSA-N 1 3 344.525 0.372 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419587963 209132963 /nfs/dbraw/zinc/13/29/63/209132963.db2.gz NXMAHPZIIRWWOR-ZJIFWQFVSA-N 1 3 336.480 0.481 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000419541037 209120306 /nfs/dbraw/zinc/12/03/06/209120306.db2.gz BSYSZDOWSIFEKV-JSGCOSHPSA-N 1 3 338.477 0.583 20 0 ECADHO COC(=O)[C@@](C)(C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415093647 291657140 /nfs/dbraw/zinc/65/71/40/291657140.db2.gz CMJRUPQFQNIFAN-BEFAXECRSA-N 1 3 347.459 0.904 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420207605 209342151 /nfs/dbraw/zinc/34/21/51/209342151.db2.gz QICXRYXMPDVGJH-GJZGRUSLSA-N 1 3 326.485 0.810 20 0 ECADHO CCO[C@@H]1C[C@@](CO)(NCC(=O)NC2CC[NH+](CC)CC2)C1(C)C ZINC000411614540 208123832 /nfs/dbraw/zinc/12/38/32/208123832.db2.gz QUCBSVSQQICJEJ-QAPCUYQASA-N 1 3 341.496 0.743 20 0 ECADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430606769 210388151 /nfs/dbraw/zinc/38/81/51/210388151.db2.gz WJOXFFIUXPIMJT-FZKCQIBNSA-N 1 3 338.496 0.666 20 0 ECADHO [NH3+]C[C@H]1CCCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430653695 210396140 /nfs/dbraw/zinc/39/61/40/210396140.db2.gz ZCNULPUSXWMCAO-MRXNPFEDSA-N 1 3 331.464 0.791 20 0 ECADHO CN(C)S(=O)(=O)c1ccc(OCCN2CCC(C[NH3+])CC2)cc1 ZINC000430647071 210395489 /nfs/dbraw/zinc/39/54/89/210395489.db2.gz XIOKXWPDMCAFNU-UHFFFAOYSA-N 1 3 341.477 0.986 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000430644892 210394129 /nfs/dbraw/zinc/39/41/29/210394129.db2.gz ANUUHJPJKJSCSY-RDJZCZTQSA-N 1 3 344.459 0.969 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418829291 208864418 /nfs/dbraw/zinc/86/44/18/208864418.db2.gz DLKCOEBAZZBJDS-IAGOWNOFSA-N 1 3 346.475 0.486 20 0 ECADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418995767 208934560 /nfs/dbraw/zinc/93/45/60/208934560.db2.gz MQTFTTBBXISLBV-BBRMVZONSA-N 1 3 332.448 0.560 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCNC(=O)OC)CC2)CC1 ZINC000496073994 255068304 /nfs/dbraw/zinc/06/83/04/255068304.db2.gz BJADNWKNQUMZBC-UHFFFAOYSA-N 1 3 340.468 0.655 20 0 ECADHO CN(C[C@H](O)CNCCC[NH+]1CCC(O)CC1)C(=O)OC(C)(C)C ZINC000496895958 255140077 /nfs/dbraw/zinc/14/00/77/255140077.db2.gz VGTHVJFFCKFMNX-OAHLLOKOSA-N 1 3 345.484 0.651 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419170202 209010639 /nfs/dbraw/zinc/01/06/39/209010639.db2.gz NLNNDJFBNPJUQS-PMPSAXMXSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000419190013 209017402 /nfs/dbraw/zinc/01/74/02/209017402.db2.gz MDIWCTZYOLHISH-OAHLLOKOSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NCCN)C1 ZINC000419217308 209029495 /nfs/dbraw/zinc/02/94/95/209029495.db2.gz QLDNZLMVZBUKCS-AWEZNQCLSA-N 1 3 332.448 0.610 20 0 ECADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NCCN)C1 ZINC000419217308 209029498 /nfs/dbraw/zinc/02/94/98/209029498.db2.gz QLDNZLMVZBUKCS-AWEZNQCLSA-N 1 3 332.448 0.610 20 0 ECADHO CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCCN)cc2)CC1 ZINC000419180865 209014885 /nfs/dbraw/zinc/01/48/85/209014885.db2.gz AXOUTCYEWCRBHR-UHFFFAOYSA-N 1 3 332.448 0.610 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419222353 209031035 /nfs/dbraw/zinc/03/10/35/209031035.db2.gz BRPFLIZROCJWES-PVAVHDDUSA-N 1 3 344.459 0.573 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419222352 209031168 /nfs/dbraw/zinc/03/11/68/209031168.db2.gz BRPFLIZROCJWES-OIISXLGYSA-N 1 3 344.459 0.573 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000419219555 209031270 /nfs/dbraw/zinc/03/12/70/209031270.db2.gz UANVAFHZENXMBF-LSDHHAIUSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000419219555 209031274 /nfs/dbraw/zinc/03/12/74/209031274.db2.gz UANVAFHZENXMBF-LSDHHAIUSA-N 1 3 346.475 0.998 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CCCC4)C3)C[C@H]12 ZINC000419225777 209032092 /nfs/dbraw/zinc/03/20/92/209032092.db2.gz HVJUICURZRPQBS-WCXIOVBPSA-N 1 3 348.491 0.563 20 0 ECADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419226008 209032180 /nfs/dbraw/zinc/03/21/80/209032180.db2.gz ICHBNXGDJGDSHZ-QFBILLFUSA-N 1 3 348.491 0.579 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419230993 209033162 /nfs/dbraw/zinc/03/31/62/209033162.db2.gz QUPOIOINUQCNGC-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419228061 209034521 /nfs/dbraw/zinc/03/45/21/209034521.db2.gz LWDYCQMCLJTSMV-YESZJQIVSA-N 1 3 348.491 0.435 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419233596 209036215 /nfs/dbraw/zinc/03/62/15/209036215.db2.gz WPACAAIACWRICW-HOTGVXAUSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000419417158 209088395 /nfs/dbraw/zinc/08/83/95/209088395.db2.gz WWNOMYRTHWCMQD-HNNXBMFYSA-N 1 3 336.480 0.437 20 0 ECADHO O=C(C[C@@H]1CNCCO1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000296339153 258010793 /nfs/dbraw/zinc/01/07/93/258010793.db2.gz YSXMELAWGKJAFP-IAGOWNOFSA-N 1 3 332.448 0.931 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)C1 ZINC000419370822 209071676 /nfs/dbraw/zinc/07/16/76/209071676.db2.gz KEUQBRXCZNEUMF-CVEARBPZSA-N 1 3 338.496 0.679 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000419373796 209072367 /nfs/dbraw/zinc/07/23/67/209072367.db2.gz NLGABEWWMBOFIN-MRXNPFEDSA-N 1 3 344.459 0.152 20 0 ECADHO Cc1nn(C)c(C)c1OCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000131081164 296666841 /nfs/dbraw/zinc/66/68/41/296666841.db2.gz SSXWXKRBIUXNND-UHFFFAOYSA-N 1 3 325.457 0.368 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cn2ccccc2n1 ZINC000152991553 296690045 /nfs/dbraw/zinc/69/00/45/296690045.db2.gz ORIFOWSFTTWIOJ-UHFFFAOYSA-N 1 3 332.452 0.969 20 0 ECADHO C[C@H]1C(=O)NCCCN1CCCCCC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189262825 165006676 /nfs/dbraw/zinc/00/66/76/165006676.db2.gz VUXFRGOAOBUFOK-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H]1C(=O)NCCCN1CCCCCC[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189262825 165006678 /nfs/dbraw/zinc/00/66/78/165006678.db2.gz VUXFRGOAOBUFOK-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193618432 165059130 /nfs/dbraw/zinc/05/91/30/165059130.db2.gz HMWBFTURCQNNKJ-HLLBOEOZSA-N 1 3 333.432 0.878 20 0 ECADHO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193618432 165059132 /nfs/dbraw/zinc/05/91/32/165059132.db2.gz HMWBFTURCQNNKJ-HLLBOEOZSA-N 1 3 333.432 0.878 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCN2C)CC1=O ZINC000246329547 165131536 /nfs/dbraw/zinc/13/15/36/165131536.db2.gz AVGYVIHBTDVHAN-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCN2C)CC1=O ZINC000246329547 165131539 /nfs/dbraw/zinc/13/15/39/165131539.db2.gz AVGYVIHBTDVHAN-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N(CC[NH3+])CCc2ccccc2)CC1=O ZINC000261741579 165235778 /nfs/dbraw/zinc/23/57/78/165235778.db2.gz NXWKEBPFEPNBHX-KRWDZBQOSA-N 1 3 346.475 0.427 20 0 ECADHO NC(=O)c1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000262121275 165294676 /nfs/dbraw/zinc/29/46/76/165294676.db2.gz CANJDBHSYXFTSB-NVXWUHKLSA-N 1 3 344.459 0.866 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N(CCC[NH3+])Cc2ccccc2)CC1=O ZINC000262305234 165325746 /nfs/dbraw/zinc/32/57/46/165325746.db2.gz AFDRJDWUGABCQH-KRWDZBQOSA-N 1 3 346.475 0.774 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419407269 209084523 /nfs/dbraw/zinc/08/45/23/209084523.db2.gz JYOMPCVQBMRNBS-CABCVRRESA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000419413099 287348891 /nfs/dbraw/zinc/34/88/91/287348891.db2.gz RPUKGFNXQMATLK-CQSZACIVSA-N 1 3 344.459 0.754 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000166454662 226161099 /nfs/dbraw/zinc/16/10/99/226161099.db2.gz IJWQYYOZLSWYDI-INIZCTEOSA-N 1 3 332.448 0.736 20 0 ECADHO COCCN1CCC(NC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000194976942 263169948 /nfs/dbraw/zinc/16/99/48/263169948.db2.gz VEPICPDWVCLTSJ-UHFFFAOYSA-N 1 3 342.484 0.507 20 0 ECADHO CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000195125275 263170231 /nfs/dbraw/zinc/17/02/31/263170231.db2.gz JFFBFBPHQXMLHU-HOTGVXAUSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000195125275 263170232 /nfs/dbraw/zinc/17/02/32/263170232.db2.gz JFFBFBPHQXMLHU-HOTGVXAUSA-N 1 3 325.501 0.652 20 0 ECADHO CN(C)CCOc1ccccc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000298980494 265312362 /nfs/dbraw/zinc/31/23/62/265312362.db2.gz WFWVHBBKZRTTNE-UHFFFAOYSA-N 1 3 348.491 0.946 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000340200341 437594937 /nfs/dbraw/zinc/59/49/37/437594937.db2.gz ANRAGTGGIJRJAW-ZBFHGGJFSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C[NH+]1CCCCC1 ZINC000420073390 278196912 /nfs/dbraw/zinc/19/69/12/278196912.db2.gz ORCBKFGTJFJUPN-ZBFHGGJFSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000420118844 278232099 /nfs/dbraw/zinc/23/20/99/278232099.db2.gz INHIXKRDQPICNX-XJKSGUPXSA-N 1 3 332.448 0.875 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418944452 278268785 /nfs/dbraw/zinc/26/87/85/278268785.db2.gz JUSJPBWMOBSBRU-DOTOQJQBSA-N 1 3 346.475 0.881 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422431217 279154723 /nfs/dbraw/zinc/15/47/23/279154723.db2.gz KPKJIZWXPFUIIB-CABCVRRESA-N 1 3 326.485 0.774 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420803709 279360836 /nfs/dbraw/zinc/36/08/36/279360836.db2.gz MNPIXRBNYSUMNI-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000420803709 279360838 /nfs/dbraw/zinc/36/08/38/279360838.db2.gz MNPIXRBNYSUMNI-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000423199321 280276707 /nfs/dbraw/zinc/27/67/07/280276707.db2.gz JRAZMXIRIOKPJL-JKSUJKDBSA-N 1 3 338.496 0.905 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000422192953 289068645 /nfs/dbraw/zinc/06/86/45/289068645.db2.gz ZRQQJTCGYNFJHW-INIZCTEOSA-N 1 3 325.501 0.748 20 0 ECADHO C[NH+](C)CCN1CCC(NC(=O)NCCN2CCCOCC2)CC1 ZINC000186873225 289152574 /nfs/dbraw/zinc/15/25/74/289152574.db2.gz FMOVFQWWXHHCNW-UHFFFAOYSA-N 1 3 341.500 0.034 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000410734305 289290041 /nfs/dbraw/zinc/29/00/41/289290041.db2.gz TWJDDHWTBWEOPZ-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C[C@@H]21 ZINC000410739242 290160575 /nfs/dbraw/zinc/16/05/75/290160575.db2.gz HVQFARZSHIZVFX-CABCVRRESA-N 1 3 334.464 0.236 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC[N@@H+]1C ZINC000332322519 297030629 /nfs/dbraw/zinc/03/06/29/297030629.db2.gz LMUXADFVDKDIQG-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC[N@H+]1C ZINC000332322519 297030632 /nfs/dbraw/zinc/03/06/32/297030632.db2.gz LMUXADFVDKDIQG-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000332402443 297037747 /nfs/dbraw/zinc/03/77/47/297037747.db2.gz GUUNIIYJJGGTBO-ARFHVFGLSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000332692544 297065813 /nfs/dbraw/zinc/06/58/13/297065813.db2.gz UPKXYTDFPHHAFY-GOEBONIOSA-N 1 3 336.480 0.659 20 0 ECADHO CCN1CCN(CC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000343667622 437620448 /nfs/dbraw/zinc/62/04/48/437620448.db2.gz ZVDNQUVTNOODAJ-UHFFFAOYSA-N 1 3 339.528 0.108 20 0 ECADHO CCN1CCN(CC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000343667622 437620454 /nfs/dbraw/zinc/62/04/54/437620454.db2.gz ZVDNQUVTNOODAJ-UHFFFAOYSA-N 1 3 339.528 0.108 20 0 ECADHO CCN1CCN(CC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000343667622 437620459 /nfs/dbraw/zinc/62/04/59/437620459.db2.gz ZVDNQUVTNOODAJ-UHFFFAOYSA-N 1 3 339.528 0.108 20 0 ECADHO C[C@H](CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000333037376 297103558 /nfs/dbraw/zinc/10/35/58/297103558.db2.gz NUBKXFFIWWPYOP-ZTFGCOKTSA-N 1 3 334.464 0.189 20 0 ECADHO C[C@H](CC[N@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000333037376 297103559 /nfs/dbraw/zinc/10/35/59/297103559.db2.gz NUBKXFFIWWPYOP-ZTFGCOKTSA-N 1 3 334.464 0.189 20 0 ECADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000337446215 297188681 /nfs/dbraw/zinc/18/86/81/297188681.db2.gz CIOZLGHXWAAMTM-OALUTQOASA-N 1 3 349.523 0.844 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000337446215 297188683 /nfs/dbraw/zinc/18/86/83/297188683.db2.gz CIOZLGHXWAAMTM-OALUTQOASA-N 1 3 349.523 0.844 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000339578206 297361690 /nfs/dbraw/zinc/36/16/90/297361690.db2.gz MLWOCFQNLTZLDZ-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CCN1C ZINC000339591682 297362267 /nfs/dbraw/zinc/36/22/67/297362267.db2.gz WWAVCXGOXRJPHS-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000345787891 298193372 /nfs/dbraw/zinc/19/33/72/298193372.db2.gz OCEPIJLLCRVECB-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1C ZINC000346340437 298261400 /nfs/dbraw/zinc/26/14/00/298261400.db2.gz QMIQFALXFWKLQW-PMPSAXMXSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1C ZINC000346340437 298261401 /nfs/dbraw/zinc/26/14/01/298261401.db2.gz QMIQFALXFWKLQW-PMPSAXMXSA-N 1 3 338.496 0.728 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)CN2CCOCC2)[C@@H](C)C1 ZINC000346541915 298290409 /nfs/dbraw/zinc/29/04/09/298290409.db2.gz MVOHNXLVKXHKSD-KSZLIROESA-N 1 3 343.512 0.406 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)CN2CCOCC2)[C@@H](C)C1 ZINC000346541915 298290411 /nfs/dbraw/zinc/29/04/11/298290411.db2.gz MVOHNXLVKXHKSD-KSZLIROESA-N 1 3 343.512 0.406 20 0 ECADHO COCCOc1cccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000347028725 298389955 /nfs/dbraw/zinc/38/99/55/298389955.db2.gz VYJOKJGFWYLWCN-MRXNPFEDSA-N 1 3 335.448 0.999 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCn2cncn2)CC1 ZINC000347037265 298392005 /nfs/dbraw/zinc/39/20/05/298392005.db2.gz SNQLHJCQIRUEFI-UHFFFAOYSA-N 1 3 336.484 0.694 20 0 ECADHO CNC(=O)C[C@H](C)N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347259351 298427887 /nfs/dbraw/zinc/42/78/87/298427887.db2.gz DECBSHCRPMBPKI-GOEBONIOSA-N 1 3 334.464 0.390 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419412630 298558258 /nfs/dbraw/zinc/55/82/58/298558258.db2.gz CPSSRWRLHNTTOH-QKPAOTATSA-N 1 3 336.480 0.481 20 0 ECADHO Cc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c(OCCN(C)C)c1 ZINC000351525561 298775535 /nfs/dbraw/zinc/77/55/35/298775535.db2.gz UVRCFODSXMHMFD-HNNXBMFYSA-N 1 3 348.447 0.742 20 0 ECADHO Cc1ccc([C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000351539378 298781030 /nfs/dbraw/zinc/78/10/30/298781030.db2.gz MSSLYZFCXRBCPA-HOTGVXAUSA-N 1 3 332.448 0.582 20 0 ECADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352758022 298973434 /nfs/dbraw/zinc/97/34/34/298973434.db2.gz XLSWDPOQIBIMJN-CVEARBPZSA-N 1 3 331.526 0.959 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1=O ZINC000360829851 300029378 /nfs/dbraw/zinc/02/93/78/300029378.db2.gz BUCUCDDXLVEKSC-FCEWJHQRSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361028314 300054092 /nfs/dbraw/zinc/05/40/92/300054092.db2.gz DXSJTLSJERMRKJ-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361028314 300054093 /nfs/dbraw/zinc/05/40/93/300054093.db2.gz DXSJTLSJERMRKJ-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1=O ZINC000361710962 300118262 /nfs/dbraw/zinc/11/82/62/300118262.db2.gz DXJGLMQIZFYEOK-XHSDSOJGSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1=O ZINC000361710962 300118264 /nfs/dbraw/zinc/11/82/64/300118264.db2.gz DXJGLMQIZFYEOK-XHSDSOJGSA-N 1 3 336.480 0.339 20 0 ECADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000361717483 300118601 /nfs/dbraw/zinc/11/86/01/300118601.db2.gz DUVPSGPHINFLAK-GOSISDBHSA-N 1 3 335.423 0.961 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000362519288 300196415 /nfs/dbraw/zinc/19/64/15/300196415.db2.gz QJOSXHCJGISEOA-HOTGVXAUSA-N 1 3 326.485 0.984 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000362519288 300196418 /nfs/dbraw/zinc/19/64/18/300196418.db2.gz QJOSXHCJGISEOA-HOTGVXAUSA-N 1 3 326.485 0.984 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000362713119 300212261 /nfs/dbraw/zinc/21/22/61/300212261.db2.gz ASQCNGMRLJAUIY-RHSMWYFYSA-N 1 3 346.475 0.792 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000362713119 300212263 /nfs/dbraw/zinc/21/22/63/300212263.db2.gz ASQCNGMRLJAUIY-RHSMWYFYSA-N 1 3 346.475 0.792 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000363257975 300257165 /nfs/dbraw/zinc/25/71/65/300257165.db2.gz CCALGAXDTSGURF-KSZLIROESA-N 1 3 334.508 0.957 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000363257975 300257167 /nfs/dbraw/zinc/25/71/67/300257167.db2.gz CCALGAXDTSGURF-KSZLIROESA-N 1 3 334.508 0.957 20 0 ECADHO [NH3+][C@H]1CN(C(=O)c2[nH]nc3c2CNCC3)C[C@H]1c1ccc(F)cc1 ZINC000364133683 300328690 /nfs/dbraw/zinc/32/86/90/300328690.db2.gz ZJGXBIZCLLNCSI-KBPBESRZSA-N 1 3 329.379 0.761 20 0 ECADHO C[C@H](CNC(=O)NCC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000074104886 436105655 /nfs/dbraw/zinc/10/56/55/436105655.db2.gz DELRMLWLDVXGHW-OAHLLOKOSA-N 1 3 325.501 0.511 20 0 ECADHO COC(=O)[C@@H]1CCC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000073428145 436077953 /nfs/dbraw/zinc/07/79/53/436077953.db2.gz BETWRZFCIFBWNY-LSDHHAIUSA-N 1 3 327.469 0.918 20 0 ECADHO C[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000074654549 436132820 /nfs/dbraw/zinc/13/28/20/436132820.db2.gz GBWMPPYEKNPXBO-MRXNPFEDSA-N 1 3 325.501 0.607 20 0 ECADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074194274 436113371 /nfs/dbraw/zinc/11/33/71/436113371.db2.gz LYQKXOLSSLCNMO-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000373122478 301049041 /nfs/dbraw/zinc/04/90/41/301049041.db2.gz LCNRZQUNKFHNEO-QBPKDAKJSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000373122478 301049043 /nfs/dbraw/zinc/04/90/43/301049043.db2.gz LCNRZQUNKFHNEO-QBPKDAKJSA-N 1 3 336.480 0.975 20 0 ECADHO CCN1CCN(CCC[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000373396096 301062315 /nfs/dbraw/zinc/06/23/15/301062315.db2.gz SHKHGNJJWSQCHH-UHFFFAOYSA-N 1 3 343.479 0.994 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000377057083 301317526 /nfs/dbraw/zinc/31/75/26/301317526.db2.gz ONCJGFWXNOCMHL-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000516857178 301682037 /nfs/dbraw/zinc/68/20/37/301682037.db2.gz QEJBMVQLQFEDMX-WMZOPIPTSA-N 1 3 343.475 0.563 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(C)CC1 ZINC000518942700 301730267 /nfs/dbraw/zinc/73/02/67/301730267.db2.gz FXACWAVTKDLBCD-OAGGEKHMSA-N 1 3 336.480 0.576 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[C@@H]3CSCCN3)CC2)C1 ZINC000519643631 301751461 /nfs/dbraw/zinc/75/14/61/301751461.db2.gz KENBMXULWCGCKE-RBSFLKMASA-N 1 3 327.494 0.826 20 0 ECADHO CN1CC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000050799083 436477951 /nfs/dbraw/zinc/47/79/51/436477951.db2.gz BIBOAXALJJAFDA-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1c2ccccc2oc1=O ZINC000103210846 436553011 /nfs/dbraw/zinc/55/30/11/436553011.db2.gz LVGQIVAEZULDHI-UHFFFAOYSA-N 1 3 348.447 0.936 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccn2ccnc2c1 ZINC000532401093 302077055 /nfs/dbraw/zinc/07/70/55/302077055.db2.gz UFOZQIKVHGJJLD-UHFFFAOYSA-N 1 3 332.452 0.969 20 0 ECADHO Cc1cc(N2CC[C@H](N(C)CCC[NH+]3CCN(C)CC3)C2=O)n(C)n1 ZINC000120232025 436681481 /nfs/dbraw/zinc/68/14/81/436681481.db2.gz VLTGFDQEYNWDCU-INIZCTEOSA-N 1 3 348.495 0.403 20 0 ECADHO Cc1cc(N2CC[C@@H](N(C)CCC[NH+]3CCN(C)CC3)C2=O)n(C)n1 ZINC000120232183 436681618 /nfs/dbraw/zinc/68/16/18/436681618.db2.gz VLTGFDQEYNWDCU-MRXNPFEDSA-N 1 3 348.495 0.403 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCC[NH2+]C2CCCCCC2)CC1=O ZINC000237162098 436725157 /nfs/dbraw/zinc/72/51/57/436725157.db2.gz DLMLNNUUVUXJEV-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1NCCc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000237577911 436739979 /nfs/dbraw/zinc/73/99/79/436739979.db2.gz VHCDEXTZRXDHJX-MAUKXSAKSA-N 1 3 330.476 0.873 20 0 ECADHO CC(C)[C@@H]1CN(C)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000156029350 436809113 /nfs/dbraw/zinc/80/91/13/436809113.db2.gz CLXWCFTZMMRICV-KRWDZBQOSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CN1C1CC1 ZINC000130620368 436840875 /nfs/dbraw/zinc/84/08/75/436840875.db2.gz NFAYLFQWNSIHFK-GJZGRUSLSA-N 1 3 337.512 0.937 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000262343722 436926826 /nfs/dbraw/zinc/92/68/26/436926826.db2.gz GKJDMRRLAOHYSZ-ZWKOTPCHSA-N 1 3 346.475 0.163 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)C[C@@H]3CSCCN3)CC2)CC1 ZINC000133620707 436881110 /nfs/dbraw/zinc/88/11/10/436881110.db2.gz XIPZUSDZWNWQAI-OAHLLOKOSA-N 1 3 340.537 0.756 20 0 ECADHO CC1CCN(CCNC(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000161838745 436897637 /nfs/dbraw/zinc/89/76/37/436897637.db2.gz LVTPSSPXYANOCD-UHFFFAOYSA-N 1 3 326.485 0.816 20 0 ECADHO CC1CCN(CCNC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000161838745 436897641 /nfs/dbraw/zinc/89/76/41/436897641.db2.gz LVTPSSPXYANOCD-UHFFFAOYSA-N 1 3 326.485 0.816 20 0 ECADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164268403 436931400 /nfs/dbraw/zinc/93/14/00/436931400.db2.gz YMGGMEKNERGIRP-BRWVUGGUSA-N 1 3 332.496 0.917 20 0 ECADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164268403 436931402 /nfs/dbraw/zinc/93/14/02/436931402.db2.gz YMGGMEKNERGIRP-BRWVUGGUSA-N 1 3 332.496 0.917 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000166612017 436938830 /nfs/dbraw/zinc/93/88/30/436938830.db2.gz FHJWBSODHUIWHX-IXDOHACOSA-N 1 3 338.496 0.382 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000166612017 436938832 /nfs/dbraw/zinc/93/88/32/436938832.db2.gz FHJWBSODHUIWHX-IXDOHACOSA-N 1 3 338.496 0.382 20 0 ECADHO CN(CCN1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167703760 436941244 /nfs/dbraw/zinc/94/12/44/436941244.db2.gz VKWQZVVEURCWBO-GOSISDBHSA-N 1 3 330.476 0.872 20 0 ECADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000263284568 436960071 /nfs/dbraw/zinc/96/00/71/436960071.db2.gz TZLKAPNTOLFGAZ-OAHLLOKOSA-N 1 3 334.464 0.968 20 0 ECADHO O=C(NCC1CCN(CCO)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000171902955 436991009 /nfs/dbraw/zinc/99/10/09/436991009.db2.gz VYOFHHOEBVHDJE-UHFFFAOYSA-N 1 3 338.496 0.864 20 0 ECADHO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000297069527 437004720 /nfs/dbraw/zinc/00/47/20/437004720.db2.gz DJGYQKSTCCQVOO-ZWKOTPCHSA-N 1 3 346.475 0.799 20 0 ECADHO C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000297069527 437004721 /nfs/dbraw/zinc/00/47/21/437004721.db2.gz DJGYQKSTCCQVOO-ZWKOTPCHSA-N 1 3 346.475 0.799 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000173828644 437066866 /nfs/dbraw/zinc/06/68/66/437066866.db2.gz VSSGBYFYCWITTM-JKSUJKDBSA-N 1 3 327.517 0.899 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173954865 437070812 /nfs/dbraw/zinc/07/08/12/437070812.db2.gz OOAIQDPNCSISKP-AWEZNQCLSA-N 1 3 338.456 0.677 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000331522415 437111846 /nfs/dbraw/zinc/11/18/46/437111846.db2.gz FDQXJCUAVHTQPZ-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000331522415 437111851 /nfs/dbraw/zinc/11/18/51/437111851.db2.gz FDQXJCUAVHTQPZ-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000331484916 437104036 /nfs/dbraw/zinc/10/40/36/437104036.db2.gz IONFZZGLLDVGFF-BZUAXINKSA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000331484916 437104042 /nfs/dbraw/zinc/10/40/42/437104042.db2.gz IONFZZGLLDVGFF-BZUAXINKSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C1=CCN(C)CC1 ZINC000331686026 437144627 /nfs/dbraw/zinc/14/46/27/437144627.db2.gz SVBOSIKHWUIEQY-BHYGNILZSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C1=CCN(C)CC1 ZINC000331686026 437144632 /nfs/dbraw/zinc/14/46/32/437144632.db2.gz SVBOSIKHWUIEQY-BHYGNILZSA-N 1 3 348.491 0.696 20 0 ECADHO CN1CCN(CCCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276572111 437130278 /nfs/dbraw/zinc/13/02/78/437130278.db2.gz HIWJAYHOMQMCOJ-UHFFFAOYSA-N 1 3 330.476 0.742 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000332647337 437238282 /nfs/dbraw/zinc/23/82/82/437238282.db2.gz STTYVVADDYENDP-QKPAOTATSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)N(C)C)c1)[NH+](C)C ZINC000266801957 437245445 /nfs/dbraw/zinc/24/54/45/437245445.db2.gz HCMDCJQVCSWCNY-OLZOCXBDSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)[NH+](C)C)c1)N(C)C ZINC000266801957 437245448 /nfs/dbraw/zinc/24/54/48/437245448.db2.gz HCMDCJQVCSWCNY-OLZOCXBDSA-N 1 3 335.452 0.441 20 0 ECADHO CC(C)N1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000333747701 437285000 /nfs/dbraw/zinc/28/50/00/437285000.db2.gz YNTPDRBFZFRMQM-UHFFFAOYSA-N 1 3 337.512 0.938 20 0 ECADHO CC(C)N1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000333747701 437285003 /nfs/dbraw/zinc/28/50/03/437285003.db2.gz YNTPDRBFZFRMQM-UHFFFAOYSA-N 1 3 337.512 0.938 20 0 ECADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000289491669 437415073 /nfs/dbraw/zinc/41/50/73/437415073.db2.gz ABWIHTNWKPCKPE-IAGOWNOFSA-N 1 3 346.475 0.982 20 0 ECADHO CN(C)CCOc1ccccc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289126675 437382402 /nfs/dbraw/zinc/38/24/02/437382402.db2.gz DRIRNGAXURYONR-INIZCTEOSA-N 1 3 346.475 0.747 20 0 ECADHO COC(=O)CNC(=O)CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750310 437448863 /nfs/dbraw/zinc/44/88/63/437448863.db2.gz NPFWDFUYSSJVRQ-ZIAGYGMSSA-N 1 3 325.453 0.908 20 0 ECADHO COC(=O)CNC(=O)CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750310 437448867 /nfs/dbraw/zinc/44/88/67/437448867.db2.gz NPFWDFUYSSJVRQ-ZIAGYGMSSA-N 1 3 325.453 0.908 20 0 ECADHO COC(=O)CNC(=O)CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185750310 437448871 /nfs/dbraw/zinc/44/88/71/437448871.db2.gz NPFWDFUYSSJVRQ-ZIAGYGMSSA-N 1 3 325.453 0.908 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289992338 437454898 /nfs/dbraw/zinc/45/48/98/437454898.db2.gz RFUNMNZZFQCALD-SJORKVTESA-N 1 3 347.459 0.948 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289992338 437454899 /nfs/dbraw/zinc/45/48/99/437454899.db2.gz RFUNMNZZFQCALD-SJORKVTESA-N 1 3 347.459 0.948 20 0 ECADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419997570 303949582 /nfs/dbraw/zinc/94/95/82/303949582.db2.gz KDBBLMXIQIXSFC-JKSUJKDBSA-N 1 3 336.480 0.722 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cncn1C ZINC000360105551 437521007 /nfs/dbraw/zinc/52/10/07/437521007.db2.gz SQACVOFERCNNMW-HNNXBMFYSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cncn1C ZINC000360105551 437521009 /nfs/dbraw/zinc/52/10/09/437521009.db2.gz SQACVOFERCNNMW-HNNXBMFYSA-N 1 3 336.484 0.978 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339963402 437529018 /nfs/dbraw/zinc/52/90/18/437529018.db2.gz SZTBMZVUJXITKO-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339964051 437532864 /nfs/dbraw/zinc/53/28/64/437532864.db2.gz AIXBLNVXSHZGOZ-LRDDRELGSA-N 1 3 334.464 0.328 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000339673420 437489878 /nfs/dbraw/zinc/48/98/78/437489878.db2.gz VJEAMHQDOXQYQR-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CS[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1N(C)C ZINC000343679342 437624625 /nfs/dbraw/zinc/62/46/25/437624625.db2.gz VNWAXKZVGVXNOA-HZPDHXFCSA-N 1 3 340.537 0.707 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000360216675 437556365 /nfs/dbraw/zinc/55/63/65/437556365.db2.gz AQKFMNBOFAQCHR-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cc1 ZINC000188764137 437569682 /nfs/dbraw/zinc/56/96/82/437569682.db2.gz RXBUBOOUAWNUCV-LSDHHAIUSA-N 1 3 336.411 0.294 20 0 ECADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000343701381 437631104 /nfs/dbraw/zinc/63/11/04/437631104.db2.gz XDCDVWUCYYTABU-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000343700849 437631314 /nfs/dbraw/zinc/63/13/14/437631314.db2.gz FFAZKBGFROYARG-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000343700849 437631322 /nfs/dbraw/zinc/63/13/22/437631322.db2.gz FFAZKBGFROYARG-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000343700846 437631399 /nfs/dbraw/zinc/63/13/99/437631399.db2.gz FFAZKBGFROYARG-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000343700846 437631403 /nfs/dbraw/zinc/63/14/03/437631403.db2.gz FFAZKBGFROYARG-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCN(C)C1CC1 ZINC000340357909 437637445 /nfs/dbraw/zinc/63/74/45/437637445.db2.gz YJWZNAWBVQSWGU-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCN(C)C1CC1 ZINC000340357909 437637450 /nfs/dbraw/zinc/63/74/50/437637450.db2.gz YJWZNAWBVQSWGU-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340481170 437662506 /nfs/dbraw/zinc/66/25/06/437662506.db2.gz KBFGLICYOSINDB-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340481170 437662512 /nfs/dbraw/zinc/66/25/12/437662512.db2.gz KBFGLICYOSINDB-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340523904 437682397 /nfs/dbraw/zinc/68/23/97/437682397.db2.gz XCQNZAJBHKVDLQ-RDJZCZTQSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340523904 437682403 /nfs/dbraw/zinc/68/24/03/437682403.db2.gz XCQNZAJBHKVDLQ-RDJZCZTQSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)COC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343919598 437694519 /nfs/dbraw/zinc/69/45/19/437694519.db2.gz GMCJCONBRFMQFM-RCCFBDPRSA-N 1 3 327.513 0.978 20 0 ECADHO CC(C)COC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343919597 437696133 /nfs/dbraw/zinc/69/61/33/437696133.db2.gz GMCJCONBRFMQFM-KZNAEPCWSA-N 1 3 327.513 0.978 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC2 ZINC000355254328 437692661 /nfs/dbraw/zinc/69/26/61/437692661.db2.gz NDCYWPNLCMUCRG-OAGGEKHMSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N(C)CCCN(C)CC[NH+](C)C ZINC000344021472 437718511 /nfs/dbraw/zinc/71/85/11/437718511.db2.gz GVHFXYWMPIPLDP-AWEZNQCLSA-N 1 3 343.516 0.815 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000340790314 437735354 /nfs/dbraw/zinc/73/53/54/437735354.db2.gz CVYQAJOIPFVMNR-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000340790314 437735359 /nfs/dbraw/zinc/73/53/59/437735359.db2.gz CVYQAJOIPFVMNR-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000340801836 437739378 /nfs/dbraw/zinc/73/93/78/437739378.db2.gz RRYUHBIKVZMZRV-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000415543208 437818504 /nfs/dbraw/zinc/81/85/04/437818504.db2.gz WYZXPFSFQUQROF-UHFFFAOYSA-N 1 3 336.436 0.347 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000415294697 437776933 /nfs/dbraw/zinc/77/69/33/437776933.db2.gz GGUSPUKRFGJVPA-CQSZACIVSA-N 1 3 334.420 0.386 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c(OCCN(C)C)c1 ZINC000415308404 437779706 /nfs/dbraw/zinc/77/97/06/437779706.db2.gz XIYGEJNDMNKZSD-AWEZNQCLSA-N 1 3 348.447 0.742 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000341030269 437780151 /nfs/dbraw/zinc/78/01/51/437780151.db2.gz NUJALNQLSDQPMW-FPCVCCKLSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000341030269 437780156 /nfs/dbraw/zinc/78/01/56/437780156.db2.gz NUJALNQLSDQPMW-FPCVCCKLSA-N 1 3 340.512 0.925 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)CC1=O ZINC000356547348 437783223 /nfs/dbraw/zinc/78/32/23/437783223.db2.gz LAROSCFDWBLVNC-HLLBOEOZSA-N 1 3 348.491 0.672 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)CC1=O ZINC000356547348 437783227 /nfs/dbraw/zinc/78/32/27/437783227.db2.gz LAROSCFDWBLVNC-HLLBOEOZSA-N 1 3 348.491 0.672 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000415374162 437792221 /nfs/dbraw/zinc/79/22/21/437792221.db2.gz JVRIQDXIZDIWLD-ZDUSSCGKSA-N 1 3 336.436 0.727 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c(OCCN(C)C)c1 ZINC000415371297 437792376 /nfs/dbraw/zinc/79/23/76/437792376.db2.gz FBDVJRJDXVBLSG-AWEZNQCLSA-N 1 3 348.447 0.742 20 0 ECADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000423663060 437794735 /nfs/dbraw/zinc/79/47/35/437794735.db2.gz FQSXACKGJWODMF-INIZCTEOSA-N 1 3 332.448 0.384 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000341154152 437804557 /nfs/dbraw/zinc/80/45/57/437804557.db2.gz DKMDOVBHASQYFV-JKSUJKDBSA-N 1 3 349.479 0.230 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000341154152 437804562 /nfs/dbraw/zinc/80/45/62/437804562.db2.gz DKMDOVBHASQYFV-JKSUJKDBSA-N 1 3 349.479 0.230 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCN1C ZINC000341161316 437805588 /nfs/dbraw/zinc/80/55/88/437805588.db2.gz PDEQJOVVHHMWMQ-ILXRZTDVSA-N 1 3 339.484 0.356 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCN1C ZINC000341161316 437805593 /nfs/dbraw/zinc/80/55/93/437805593.db2.gz PDEQJOVVHHMWMQ-ILXRZTDVSA-N 1 3 339.484 0.356 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)CC[C@@H]1[NH3+] ZINC000415463455 437806641 /nfs/dbraw/zinc/80/66/41/437806641.db2.gz QIBHHCMIQDXMSO-BBRMVZONSA-N 1 3 348.447 0.761 20 0 ECADHO CN(CCN)C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423703011 437807169 /nfs/dbraw/zinc/80/71/69/437807169.db2.gz BDQCIWJAHQOITD-IAGOWNOFSA-N 1 3 344.459 0.384 20 0 ECADHO CN(CCN)C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423703011 437807173 /nfs/dbraw/zinc/80/71/73/437807173.db2.gz BDQCIWJAHQOITD-IAGOWNOFSA-N 1 3 344.459 0.384 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c2)CC1 ZINC000415511236 437813926 /nfs/dbraw/zinc/81/39/26/437813926.db2.gz NRWZWFGIRCZSNO-AWEZNQCLSA-N 1 3 347.463 0.478 20 0 ECADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)CC[NH3+])c2)CC1 ZINC000415877754 437876790 /nfs/dbraw/zinc/87/67/90/437876790.db2.gz JQOJFGHJBHVBEZ-UHFFFAOYSA-N 1 3 347.463 0.573 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)ccc1CN(C)C ZINC000415609119 437831408 /nfs/dbraw/zinc/83/14/08/437831408.db2.gz TYTMUCQOBMBTTJ-OAHLLOKOSA-N 1 3 334.420 0.181 20 0 ECADHO O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H]1C[C@H](O)CN1 ZINC000370785578 437838105 /nfs/dbraw/zinc/83/81/05/437838105.db2.gz FOICUPRDBKGHRV-ZFWWWQNUSA-N 1 3 333.388 0.257 20 0 ECADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)O1 ZINC000423855733 437844175 /nfs/dbraw/zinc/84/41/75/437844175.db2.gz VZLHJEMSMURXPF-KURKYZTESA-N 1 3 347.459 0.900 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(OCCN(C)C)c1 ZINC000415757178 437854404 /nfs/dbraw/zinc/85/44/04/437854404.db2.gz FVLGCZMWMBMNDT-VIKVFOODSA-N 1 3 346.431 0.208 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415947548 437881079 /nfs/dbraw/zinc/88/10/79/437881079.db2.gz ANTVZZFPFKPQGK-CYBMUJFWSA-N 1 3 335.456 0.738 20 0 ECADHO COCCN(CCN(C)C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415967576 437884143 /nfs/dbraw/zinc/88/41/43/437884143.db2.gz WZASGUWSDUJCFM-AWEZNQCLSA-N 1 3 335.452 0.940 20 0 ECADHO O=C(NCCCNCc1cccnc1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424064254 437886128 /nfs/dbraw/zinc/88/61/28/437886128.db2.gz YJPYQTVNCKHPSV-HNNXBMFYSA-N 1 3 343.435 0.507 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000371136248 437888036 /nfs/dbraw/zinc/88/80/36/437888036.db2.gz APLPAKVJTOIOOQ-QGZVFWFLSA-N 1 3 335.496 0.668 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC2(N(C)C)CCOCC2)c1 ZINC000424459241 437943201 /nfs/dbraw/zinc/94/32/01/437943201.db2.gz VTCMPGNQLFXFIJ-UHFFFAOYSA-N 1 3 348.447 0.619 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000342020535 437944766 /nfs/dbraw/zinc/94/47/66/437944766.db2.gz OEUPMIKXHSNKOI-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO COC[C@@]1(CNC(=O)CC2(N3CCOCC3)CCCC2)CCC[NH2+]1 ZINC000357267497 437951731 /nfs/dbraw/zinc/95/17/31/437951731.db2.gz FLHVVSFOHDAQGK-KRWDZBQOSA-N 1 3 339.480 0.906 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(CCC[NH3+])CC2CCCC2)CC1=O ZINC000357370868 437973880 /nfs/dbraw/zinc/97/38/80/437973880.db2.gz ZFJCHRVVFVUFFR-MRXNPFEDSA-N 1 3 338.496 0.764 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425395478 438024988 /nfs/dbraw/zinc/02/49/88/438024988.db2.gz XUQCJHUIQAPJQK-FXUDXRNXSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425395478 438024993 /nfs/dbraw/zinc/02/49/93/438024993.db2.gz XUQCJHUIQAPJQK-FXUDXRNXSA-N 1 3 336.480 0.338 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417193287 438031034 /nfs/dbraw/zinc/03/10/34/438031034.db2.gz LDMBERXHYHFRHI-SFHVURJKSA-N 1 3 347.507 0.754 20 0 ECADHO CC(C)(C[NH3+])NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417368753 438043118 /nfs/dbraw/zinc/04/31/18/438043118.db2.gz OXQUAKYYBOCNOG-UHFFFAOYSA-N 1 3 334.468 0.630 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417428952 438047931 /nfs/dbraw/zinc/04/79/31/438047931.db2.gz MDUIDLZLHMCUIT-KBPBESRZSA-N 1 3 327.473 0.084 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417431086 438048974 /nfs/dbraw/zinc/04/89/74/438048974.db2.gz QNFFEJUGCLMKMI-CABCVRRESA-N 1 3 339.484 0.228 20 0 ECADHO CN(C)[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416798271 437994010 /nfs/dbraw/zinc/99/40/10/437994010.db2.gz BVWPLNGWQFRJJZ-ZWKOTPCHSA-N 1 3 345.491 0.978 20 0 ECADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC1 ZINC000371821750 437996881 /nfs/dbraw/zinc/99/68/81/437996881.db2.gz CWXQMXVLVNUDDU-QGZVFWFLSA-N 1 3 335.496 0.594 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCNC(C)(C)C1 ZINC000417434486 438049987 /nfs/dbraw/zinc/04/99/87/438049987.db2.gz XEWLLQNYPPZJDW-AWEZNQCLSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCNC(C)(C)C1 ZINC000417434486 438049991 /nfs/dbraw/zinc/04/99/91/438049991.db2.gz XEWLLQNYPPZJDW-AWEZNQCLSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417994384 438099053 /nfs/dbraw/zinc/09/90/53/438099053.db2.gz YUJQVQRQOPTFFS-DOTOQJQBSA-N 1 3 333.480 0.710 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N[C@H]1CCC[NH2+]C1 ZINC000417993446 438099693 /nfs/dbraw/zinc/09/96/93/438099693.db2.gz OENWMUJTOHELDI-DLBZAZTESA-N 1 3 332.448 0.804 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)N(C)Cc1ccccc1 ZINC000417577769 438061176 /nfs/dbraw/zinc/06/11/76/438061176.db2.gz KCXVFRDDHUPIKV-DOTOQJQBSA-N 1 3 333.480 0.710 20 0 ECADHO CC[C@@H]1CN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CCN1CCOC ZINC000357757672 438061373 /nfs/dbraw/zinc/06/13/73/438061373.db2.gz SWBKEKHHICUJMH-FJIDUMEYSA-N 1 3 343.512 0.499 20 0 ECADHO CC[C@@H]1CN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000357757672 438061374 /nfs/dbraw/zinc/06/13/74/438061374.db2.gz SWBKEKHHICUJMH-FJIDUMEYSA-N 1 3 343.512 0.499 20 0 ECADHO CC[C@@H]1CN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC000357757672 438061379 /nfs/dbraw/zinc/06/13/79/438061379.db2.gz SWBKEKHHICUJMH-FJIDUMEYSA-N 1 3 343.512 0.499 20 0 ECADHO COCC[C@@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)CC[NH2+]C1 ZINC000366412301 438068335 /nfs/dbraw/zinc/06/83/35/438068335.db2.gz AVGBPBCGBFYZNW-KRWDZBQOSA-N 1 3 333.436 0.446 20 0 ECADHO O=C(C[C@H]1CNCCO1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000366413398 438068592 /nfs/dbraw/zinc/06/85/92/438068592.db2.gz IBVFMJMVSQPELF-AWEZNQCLSA-N 1 3 347.415 0.912 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418158599 438112230 /nfs/dbraw/zinc/11/22/30/438112230.db2.gz CJHFSIWHXDMEHQ-CABCVRRESA-N 1 3 325.501 0.924 20 0 ECADHO CC[C@H](C)N[C@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccco1 ZINC000418171791 438113777 /nfs/dbraw/zinc/11/37/77/438113777.db2.gz VQMGBDUYRITVEY-LSDHHAIUSA-N 1 3 337.468 0.913 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000357976453 438114869 /nfs/dbraw/zinc/11/48/69/438114869.db2.gz PWKDAUJMFAJGBX-JKSUJKDBSA-N 1 3 327.517 0.898 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000357976453 438114872 /nfs/dbraw/zinc/11/48/72/438114872.db2.gz PWKDAUJMFAJGBX-JKSUJKDBSA-N 1 3 327.517 0.898 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000348924945 438115414 /nfs/dbraw/zinc/11/54/14/438115414.db2.gz XAPIKLOWLQCUPP-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000348924945 438115418 /nfs/dbraw/zinc/11/54/18/438115418.db2.gz XAPIKLOWLQCUPP-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccncc1OCCN(C)C ZINC000418192247 438118439 /nfs/dbraw/zinc/11/84/39/438118439.db2.gz MEEXVMXVGDBLJP-UKRRQHHQSA-N 1 3 335.452 0.819 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)COC2CNC2)cc1 ZINC000430686005 438119162 /nfs/dbraw/zinc/11/91/62/438119162.db2.gz KQKVJOAHHMAQIK-UHFFFAOYSA-N 1 3 348.447 0.685 20 0 ECADHO CCN1CCN(CCC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000349030781 438127160 /nfs/dbraw/zinc/12/71/60/438127160.db2.gz STBIDKRBOCMQSX-OAHLLOKOSA-N 1 3 331.464 0.864 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000357950787 438105217 /nfs/dbraw/zinc/10/52/17/438105217.db2.gz AOPMUTLPBNCWKX-CQSZACIVSA-N 1 3 344.525 0.834 20 0 ECADHO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418333176 438132183 /nfs/dbraw/zinc/13/21/83/438132183.db2.gz GJGLXWNJNHOPOZ-VQIMIIECSA-N 1 3 346.475 0.922 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418451744 438147298 /nfs/dbraw/zinc/14/72/98/438147298.db2.gz WMPKIGCEVMRDIV-OAHLLOKOSA-N 1 3 341.500 0.795 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418744567 438180898 /nfs/dbraw/zinc/18/08/98/438180898.db2.gz ULDYVKVRJKMISG-OWCLPIDISA-N 1 3 326.485 0.896 20 0 ECADHO [NH3+]C1(CNC(=O)NCC(=O)NCCN2CCCCCC2)CCC1 ZINC000418507919 438152710 /nfs/dbraw/zinc/15/27/10/438152710.db2.gz JMYPUXAKCJKUCZ-UHFFFAOYSA-N 1 3 325.457 0.159 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000358112542 438156333 /nfs/dbraw/zinc/15/63/33/438156333.db2.gz QKGKMQSGWAQGKC-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418571866 438163095 /nfs/dbraw/zinc/16/30/95/438163095.db2.gz SCFDPZIYXGTJDN-INIZCTEOSA-N 1 3 333.480 0.793 20 0 ECADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418647888 438171394 /nfs/dbraw/zinc/17/13/94/438171394.db2.gz HACOVRBDBXIZNE-FUHWJXTLSA-N 1 3 345.491 0.938 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@@H]1C[NH3+] ZINC000418843606 438212135 /nfs/dbraw/zinc/21/21/35/438212135.db2.gz RZXQZXDCNLUXRJ-CABCVRRESA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000418850044 438216608 /nfs/dbraw/zinc/21/66/08/438216608.db2.gz NMFJWNFALVYSKO-IKGGRYGDSA-N 1 3 346.475 0.662 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000418870884 438228468 /nfs/dbraw/zinc/22/84/68/438228468.db2.gz URLLXMLGQXAZIR-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000358508704 438242170 /nfs/dbraw/zinc/24/21/70/438242170.db2.gz VJXHBRHDBXTMHZ-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000350970841 438243858 /nfs/dbraw/zinc/24/38/58/438243858.db2.gz CZPCESBYGBGPCI-RRFJBIMHSA-N 1 3 326.485 0.774 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418816063 438198794 /nfs/dbraw/zinc/19/87/94/438198794.db2.gz LLGXEPDVVMHRJV-KXBFYZLASA-N 1 3 346.475 0.963 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418829345 438205253 /nfs/dbraw/zinc/20/52/53/438205253.db2.gz DPFGPUHAIWGDFJ-JKSUJKDBSA-N 1 3 334.464 0.375 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351445655 438264089 /nfs/dbraw/zinc/26/40/89/438264089.db2.gz RHNIAIPJKUGCCY-LZWOXQAQSA-N 1 3 327.469 0.305 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351445655 438264093 /nfs/dbraw/zinc/26/40/93/438264093.db2.gz RHNIAIPJKUGCCY-LZWOXQAQSA-N 1 3 327.469 0.305 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419027605 438296270 /nfs/dbraw/zinc/29/62/70/438296270.db2.gz OXZLEOPEMXKMKJ-JONQDZQNSA-N 1 3 338.496 0.679 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000418985810 438272835 /nfs/dbraw/zinc/27/28/35/438272835.db2.gz GBRXTQHNZSGFJM-CVEARBPZSA-N 1 3 332.448 0.608 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000418987427 438273933 /nfs/dbraw/zinc/27/39/33/438273933.db2.gz PVFUVNSLQQYVOE-DLBZAZTESA-N 1 3 344.459 0.432 20 0 ECADHO Cc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c(OCCN(C)C)c1 ZINC000351525562 438279141 /nfs/dbraw/zinc/27/91/41/438279141.db2.gz UVRCFODSXMHMFD-OAHLLOKOSA-N 1 3 348.447 0.742 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000351558717 438289049 /nfs/dbraw/zinc/28/90/49/438289049.db2.gz SGFFAMVPLGIACD-CVEARBPZSA-N 1 3 330.432 0.245 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419018638 438289777 /nfs/dbraw/zinc/28/97/77/438289777.db2.gz CMIIOGXWJFJIPP-RBSFLKMASA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000419025172 438293654 /nfs/dbraw/zinc/29/36/54/438293654.db2.gz MDXOZAYQHBQENY-AWEZNQCLSA-N 1 3 338.496 0.871 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)C1 ZINC000419023782 438294181 /nfs/dbraw/zinc/29/41/81/438294181.db2.gz DUCZQLRAEXFGEW-LSDHHAIUSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000419032762 438296759 /nfs/dbraw/zinc/29/67/59/438296759.db2.gz XEFFZCSXRODJKJ-RBSFLKMASA-N 1 3 338.496 0.857 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000351026424 438248895 /nfs/dbraw/zinc/24/88/95/438248895.db2.gz VXVUPTWFRFERJF-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351689596 438320361 /nfs/dbraw/zinc/32/03/61/438320361.db2.gz ZOLGWTQWRNUOFE-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO CCOC(=O)COCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000351712226 438325599 /nfs/dbraw/zinc/32/55/99/438325599.db2.gz NVXQUFQKAOTYRS-CVEARBPZSA-N 1 3 327.469 0.524 20 0 ECADHO CCOC(=O)COCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000351712226 438325603 /nfs/dbraw/zinc/32/56/03/438325603.db2.gz NVXQUFQKAOTYRS-CVEARBPZSA-N 1 3 327.469 0.524 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000419116279 438329626 /nfs/dbraw/zinc/32/96/26/438329626.db2.gz LHSJSRCREAILMJ-INIZCTEOSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419120412 438330657 /nfs/dbraw/zinc/33/06/57/438330657.db2.gz KXPLFMZSCXMRDE-CVEARBPZSA-N 1 3 338.496 0.955 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](CN)C1CC1)[NH+]1CCCCCC1 ZINC000419125134 438333874 /nfs/dbraw/zinc/33/38/74/438333874.db2.gz JFJHEQYYSCGWEV-JKSUJKDBSA-N 1 3 338.496 0.857 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351767868 438336112 /nfs/dbraw/zinc/33/61/12/438336112.db2.gz HMTVWAHKWWAXKY-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419133233 438339760 /nfs/dbraw/zinc/33/97/60/438339760.db2.gz FOMHVMIWJCNCDZ-GFCCVEGCSA-N 1 3 338.477 0.540 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419032746 438297489 /nfs/dbraw/zinc/29/74/89/438297489.db2.gz XBOHGACKDNHFLA-XFIYOXNOSA-N 1 3 338.496 0.583 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000419034009 438299527 /nfs/dbraw/zinc/29/95/27/438299527.db2.gz YXIHPXCJDCJZEE-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO CN1CCN(CCCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000368290968 438310457 /nfs/dbraw/zinc/31/04/57/438310457.db2.gz QHEWKBVBBGAIHS-KRWDZBQOSA-N 1 3 328.476 0.953 20 0 ECADHO CN1CCN(CCCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368290968 438310462 /nfs/dbraw/zinc/31/04/62/438310462.db2.gz QHEWKBVBBGAIHS-KRWDZBQOSA-N 1 3 328.476 0.953 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000419082268 438315949 /nfs/dbraw/zinc/31/59/49/438315949.db2.gz UKPLMQVHDVGXKS-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419143122 438347019 /nfs/dbraw/zinc/34/70/19/438347019.db2.gz YUOINFJAUOKVKV-KBPBESRZSA-N 1 3 328.501 0.959 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419175539 438348486 /nfs/dbraw/zinc/34/84/86/438348486.db2.gz XUXVCBXNSHGSJX-NVXWUHKLSA-N 1 3 348.491 0.970 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000352096506 438380765 /nfs/dbraw/zinc/38/07/65/438380765.db2.gz GYQIAJHRVWQING-WBVHZDCISA-N 1 3 340.512 0.959 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000352097305 438381466 /nfs/dbraw/zinc/38/14/66/438381466.db2.gz QYMJWEXEIQVEHR-GDBMZVCRSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000352097305 438381471 /nfs/dbraw/zinc/38/14/71/438381471.db2.gz QYMJWEXEIQVEHR-GDBMZVCRSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420013217 438381955 /nfs/dbraw/zinc/38/19/55/438381955.db2.gz JANHSPBWHWDIKF-GJZGRUSLSA-N 1 3 326.485 0.666 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000420058752 438386152 /nfs/dbraw/zinc/38/61/52/438386152.db2.gz IWESGTTWZVAYQW-KRWDZBQOSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000389914591 438430477 /nfs/dbraw/zinc/43/04/77/438430477.db2.gz KOSSCLJXYJNMGK-NVXWUHKLSA-N 1 3 344.459 0.445 20 0 ECADHO [NH3+]C1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCOCC1 ZINC000391040987 438436094 /nfs/dbraw/zinc/43/60/94/438436094.db2.gz RKIKNLWMVGXCKQ-QGZVFWFLSA-N 1 3 347.459 0.902 20 0 ECADHO C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)CN1CCN(C)CC1 ZINC000420806907 438441800 /nfs/dbraw/zinc/44/18/00/438441800.db2.gz PYSHXMVQTSEGNI-HZPDHXFCSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)CN1CCN(C)CC1 ZINC000420806907 438441805 /nfs/dbraw/zinc/44/18/05/438441805.db2.gz PYSHXMVQTSEGNI-HZPDHXFCSA-N 1 3 325.501 0.606 20 0 ECADHO CC(C)OC(=O)CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000420327249 438400088 /nfs/dbraw/zinc/40/00/88/438400088.db2.gz YJEZQFRJRVPRAT-LSDHHAIUSA-N 1 3 325.453 0.908 20 0 ECADHO O=C(CC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)N1CCNCC1 ZINC000420363532 438401648 /nfs/dbraw/zinc/40/16/48/438401648.db2.gz PKNGQBNMRREFGM-CQSZACIVSA-N 1 3 332.452 0.683 20 0 ECADHO O=C(CC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)N1CCNCC1 ZINC000420363532 438401657 /nfs/dbraw/zinc/40/16/57/438401657.db2.gz PKNGQBNMRREFGM-CQSZACIVSA-N 1 3 332.452 0.683 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)C1CC1 ZINC000359324283 438412573 /nfs/dbraw/zinc/41/25/73/438412573.db2.gz QOTAUXXWXWOJSO-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC000359324283 438412576 /nfs/dbraw/zinc/41/25/76/438412576.db2.gz QOTAUXXWXWOJSO-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO O[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)CN1CCCC1 ZINC000382250322 438413288 /nfs/dbraw/zinc/41/32/88/438413288.db2.gz LDXXNMZZTQCXBH-RBUKOAKNSA-N 1 3 333.476 0.934 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000420864501 438446282 /nfs/dbraw/zinc/44/62/82/438446282.db2.gz NIIBCTHARVUPHV-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000420864501 438446288 /nfs/dbraw/zinc/44/62/88/438446288.db2.gz NIIBCTHARVUPHV-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1n[nH]c2c1CNCC2 ZINC000369884484 438523845 /nfs/dbraw/zinc/52/38/45/438523845.db2.gz PRIKKFZCSXMNQO-UHFFFAOYSA-N 1 3 327.392 0.112 20 0 ECADHO CNS(=O)(=O)CCCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408184088 438530919 /nfs/dbraw/zinc/53/09/19/438530919.db2.gz VZYCXFOEJZNJPV-CQSZACIVSA-N 1 3 332.514 0.026 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422307344 438549905 /nfs/dbraw/zinc/54/99/05/438549905.db2.gz NTKGQPXDJASGMS-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422307344 438549908 /nfs/dbraw/zinc/54/99/08/438549908.db2.gz NTKGQPXDJASGMS-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422484790 438577808 /nfs/dbraw/zinc/57/78/08/438577808.db2.gz CXHFWKCVMCFFIG-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422484790 438577810 /nfs/dbraw/zinc/57/78/10/438577810.db2.gz CXHFWKCVMCFFIG-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422486939 438577830 /nfs/dbraw/zinc/57/78/30/438577830.db2.gz ILNNTAYHGCWMST-INIZCTEOSA-N 1 3 340.512 0.881 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422486939 438577833 /nfs/dbraw/zinc/57/78/33/438577833.db2.gz ILNNTAYHGCWMST-INIZCTEOSA-N 1 3 340.512 0.881 20 0 ECADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422979361 438623288 /nfs/dbraw/zinc/62/32/88/438623288.db2.gz JMTNWFMGLSSABF-INIZCTEOSA-N 1 3 348.491 0.722 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423061785 438633349 /nfs/dbraw/zinc/63/33/49/438633349.db2.gz LOCZEPNJPPCWGD-CQSZACIVSA-N 1 3 326.485 0.618 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000423096223 438637744 /nfs/dbraw/zinc/63/77/44/438637744.db2.gz ODMOYXWWEZWFJX-UHFFFAOYSA-N 1 3 338.427 0.394 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423212008 438648699 /nfs/dbraw/zinc/64/86/99/438648699.db2.gz LKZOWZVRMQCJGE-CVEARBPZSA-N 1 3 336.480 0.389 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423341074 438664296 /nfs/dbraw/zinc/66/42/96/438664296.db2.gz JVXBCEVPPHJLKH-MRXNPFEDSA-N 1 3 344.463 0.920 20 0 ECADHO CN(C)CCn1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)n1 ZINC000444904769 438665196 /nfs/dbraw/zinc/66/51/96/438665196.db2.gz QEVWVOPKLWQQRC-UHFFFAOYSA-N 1 3 334.468 1.441 20 0 ECADHO COC[C@]1(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)CC[NH2+]C1 ZINC000423348785 438665655 /nfs/dbraw/zinc/66/56/55/438665655.db2.gz UZJYZTBYJUENBC-INMHGKMJSA-N 1 3 327.469 0.618 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414698884 438715995 /nfs/dbraw/zinc/71/59/95/438715995.db2.gz IGIBAYBCPREVQL-CQSZACIVSA-N 1 3 348.447 0.953 20 0 ECADHO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414753485 438716852 /nfs/dbraw/zinc/71/68/52/438716852.db2.gz MNNNIGFHNRBGNY-BZUAXINKSA-N 1 3 347.525 0.747 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000574981450 438730541 /nfs/dbraw/zinc/73/05/41/438730541.db2.gz KFTSFPJOYXDAFE-YIDVYQOGSA-N 1 3 334.464 0.267 20 0 ECADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000575749591 438753918 /nfs/dbraw/zinc/75/39/18/438753918.db2.gz CHDZVNFKDARJNF-PBHICJAKSA-N 1 3 340.431 0.728 20 0 ECADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000576876155 438803167 /nfs/dbraw/zinc/80/31/67/438803167.db2.gz MATBEPGPQHRCEB-YESZJQIVSA-N 1 3 333.432 0.117 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000575914167 438759352 /nfs/dbraw/zinc/75/93/52/438759352.db2.gz LQFJZCLCOMUJNJ-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)N1CCN(C)CC1 ZINC000457611823 438813695 /nfs/dbraw/zinc/81/36/95/438813695.db2.gz KVCGISXMVWATBK-OAHLLOKOSA-N 1 3 327.517 0.898 20 0 ECADHO CCN1CC[C@H](N(C)C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@H](C)C1 ZINC000577399435 438838599 /nfs/dbraw/zinc/83/85/99/438838599.db2.gz KQBMZEIDUBNJLN-FMKPAKJESA-N 1 3 334.468 0.832 20 0 ECADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000564956372 438894949 /nfs/dbraw/zinc/89/49/49/438894949.db2.gz JTTHEMSNLYYZFZ-HZPDHXFCSA-N 1 3 328.420 0.470 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000564956372 438894955 /nfs/dbraw/zinc/89/49/55/438894955.db2.gz JTTHEMSNLYYZFZ-HZPDHXFCSA-N 1 3 328.420 0.470 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595961885 438902153 /nfs/dbraw/zinc/90/21/53/438902153.db2.gz VYPXDIAXXVDYMQ-HZPDHXFCSA-N 1 3 349.431 0.150 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595961885 438902158 /nfs/dbraw/zinc/90/21/58/438902158.db2.gz VYPXDIAXXVDYMQ-HZPDHXFCSA-N 1 3 349.431 0.150 20 0 ECADHO COC[C@@H](C)NC(=O)NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900752 438880725 /nfs/dbraw/zinc/88/07/25/438880725.db2.gz KKJOWRIFVYYYSU-HIFRSBDPSA-N 1 3 340.468 0.559 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000515840180 438881134 /nfs/dbraw/zinc/88/11/34/438881134.db2.gz HLCAOFJAVALXTL-UHFFFAOYSA-N 1 3 333.480 0.924 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000458448396 438886655 /nfs/dbraw/zinc/88/66/55/438886655.db2.gz SJEXZHRFIWANSZ-DLBZAZTESA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000458448396 438886661 /nfs/dbraw/zinc/88/66/61/438886661.db2.gz SJEXZHRFIWANSZ-DLBZAZTESA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000516168328 438893927 /nfs/dbraw/zinc/89/39/27/438893927.db2.gz GQEMUPKGLNBSIM-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO COC(=O)c1nccc(NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000596100826 438924389 /nfs/dbraw/zinc/92/43/89/438924389.db2.gz BCDUGRSOYMTLQS-UHFFFAOYSA-N 1 3 333.436 0.656 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000516857176 438929999 /nfs/dbraw/zinc/92/99/99/438929999.db2.gz QEJBMVQLQFEDMX-FUHWJXTLSA-N 1 3 343.475 0.563 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000517024301 438945384 /nfs/dbraw/zinc/94/53/84/438945384.db2.gz PLMUQQSWFYCOGR-XHSDSOJGSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000517024298 438946076 /nfs/dbraw/zinc/94/60/76/438946076.db2.gz PLMUQQSWFYCOGR-ARFHVFGLSA-N 1 3 336.480 0.659 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000565470751 438953474 /nfs/dbraw/zinc/95/34/74/438953474.db2.gz KBCVUCUMKSFUFG-UHFFFAOYSA-N 1 3 345.491 0.809 20 0 ECADHO CCC[N@H+](CCN1C(=O)N[C@H](C)C1=O)CCN1CCN(CC)CC1 ZINC000459530594 438971249 /nfs/dbraw/zinc/97/12/49/438971249.db2.gz MHZWISMOKFCLKB-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO CCC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)CCN1CCN(CC)CC1 ZINC000459530594 438971256 /nfs/dbraw/zinc/97/12/56/438971256.db2.gz MHZWISMOKFCLKB-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000517700762 438974162 /nfs/dbraw/zinc/97/41/62/438974162.db2.gz OQDGHJVKWJRJKG-MRXNPFEDSA-N 1 3 325.501 0.748 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)nn1 ZINC000579007909 438975030 /nfs/dbraw/zinc/97/50/30/438975030.db2.gz FWYCUWXFPQLYNG-XZDPQHSOSA-N 1 3 332.452 0.821 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000591024329 438977227 /nfs/dbraw/zinc/97/72/27/438977227.db2.gz HVMDFSSURITORD-SJORKVTESA-N 1 3 337.512 0.940 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000591024329 438977230 /nfs/dbraw/zinc/97/72/30/438977230.db2.gz HVMDFSSURITORD-SJORKVTESA-N 1 3 337.512 0.940 20 0 ECADHO Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc1C ZINC000566086528 439003145 /nfs/dbraw/zinc/00/31/45/439003145.db2.gz IAZSFTQPXGZCMY-UHFFFAOYSA-N 1 3 349.479 0.266 20 0 ECADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000460010920 439055170 /nfs/dbraw/zinc/05/51/70/439055170.db2.gz HOINMACZHZRGNW-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000460010920 439055176 /nfs/dbraw/zinc/05/51/76/439055176.db2.gz HOINMACZHZRGNW-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C(=O)NCCN(C)C ZINC000566463046 439058513 /nfs/dbraw/zinc/05/85/13/439058513.db2.gz SPHUDHSNNPNXKY-GOEBONIOSA-N 1 3 334.464 0.862 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000579572447 439020164 /nfs/dbraw/zinc/02/01/64/439020164.db2.gz NHOLKMKTZCEFKZ-OAHLLOKOSA-N 1 3 339.484 0.323 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC000566212543 439026042 /nfs/dbraw/zinc/02/60/42/439026042.db2.gz GCAOPGXCDHDISP-NVXWUHKLSA-N 1 3 340.431 0.787 20 0 ECADHO C[C@H]1CN(CCC2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000479254821 439114598 /nfs/dbraw/zinc/11/45/98/439114598.db2.gz NTZGVXKOQPINDR-XJNFMUPTSA-N 1 3 339.480 0.447 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000580172061 439069313 /nfs/dbraw/zinc/06/93/13/439069313.db2.gz PVJDPKOERKNFTJ-DOTOQJQBSA-N 1 3 333.480 0.791 20 0 ECADHO O=C(NC[C@H]1CCCN(C(=O)C23CCCN2CCC3)C1)[C@H]1CCC[NH2+]1 ZINC000566618043 439075495 /nfs/dbraw/zinc/07/54/95/439075495.db2.gz YQGOYNDIBGBDFF-HZPDHXFCSA-N 1 3 348.491 0.722 20 0 ECADHO CN(C(=O)C(=O)NC1C[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000580883509 439142268 /nfs/dbraw/zinc/14/22/68/439142268.db2.gz ZPYHYZJYZKEKMH-UHFFFAOYSA-N 1 3 330.432 0.197 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000567477876 439145935 /nfs/dbraw/zinc/14/59/35/439145935.db2.gz KLCWXMXPPDLPEF-HZPDHXFCSA-N 1 3 347.463 0.773 20 0 ECADHO CC(C)[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CCN1C ZINC000487643921 439158712 /nfs/dbraw/zinc/15/87/12/439158712.db2.gz XOFPREZUNRUGFK-KRWDZBQOSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H](C(=O)N1CCOCC1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000581551273 439227485 /nfs/dbraw/zinc/22/74/85/439227485.db2.gz HQBMWODMOGCSTK-IRXDYDNUSA-N 1 3 338.496 0.241 20 0 ECADHO C[C@@H](CN=c1cc(NC[C@H](C)C[NH+](C)C)n2[n-]cnc2n1)C[NH+](C)C ZINC000489005758 439210147 /nfs/dbraw/zinc/21/01/47/439210147.db2.gz CHEZXEPLRBAMHX-KBPBESRZSA-N 1 3 348.499 0.765 20 0 ECADHO CN(C)Cc1cccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000568508773 439252854 /nfs/dbraw/zinc/25/28/54/439252854.db2.gz PYZOIFVGJSJDSS-UHFFFAOYSA-N 1 3 329.408 0.528 20 0 ECADHO CSc1nnc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000527101922 439253205 /nfs/dbraw/zinc/25/32/05/439253205.db2.gz WHVYYDUOIYMMIX-UHFFFAOYSA-N 1 3 346.526 0.895 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592558864 439254996 /nfs/dbraw/zinc/25/49/96/439254996.db2.gz BEJAXPFQZHVCPE-CABCVRRESA-N 1 3 349.479 0.902 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592558872 439255263 /nfs/dbraw/zinc/25/52/63/439255263.db2.gz BEJAXPFQZHVCPE-LSDHHAIUSA-N 1 3 349.479 0.902 20 0 ECADHO CN(C)[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)Cc1ccccc1 ZINC000569229286 439316580 /nfs/dbraw/zinc/31/65/80/439316580.db2.gz MXUPWJSPRMMWDI-RTBURBONSA-N 1 3 334.508 0.357 20 0 ECADHO O=C(C(=O)N1CC[C@H](N2CCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000582108110 439292358 /nfs/dbraw/zinc/29/23/58/439292358.db2.gz RTLZPAPRVMJSBP-IRXDYDNUSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569003969 439297415 /nfs/dbraw/zinc/29/74/15/439297415.db2.gz WHZONKZXYMBFLW-MJBXVCDLSA-N 1 3 337.468 0.060 20 0 ECADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569003969 439297417 /nfs/dbraw/zinc/29/74/17/439297417.db2.gz WHZONKZXYMBFLW-MJBXVCDLSA-N 1 3 337.468 0.060 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000605985272 439393217 /nfs/dbraw/zinc/39/32/17/439393217.db2.gz HJDGRXZWXPARSP-UHFFFAOYSA-N 1 3 339.528 0.997 20 0 ECADHO COCC1(C(=O)N(C)CCCN2CCN(C)CC2)CC[NH2+]CC1 ZINC000570329263 439410784 /nfs/dbraw/zinc/41/07/84/439410784.db2.gz DKRPPFIQVZWHCH-UHFFFAOYSA-N 1 3 326.485 0.099 20 0 ECADHO NC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CCCO1 ZINC000583207488 439433521 /nfs/dbraw/zinc/43/35/21/439433521.db2.gz RHYRJHBIEUDBAV-MRXNPFEDSA-N 1 3 347.463 0.170 20 0 ECADHO NC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CCCO1 ZINC000583207488 439433525 /nfs/dbraw/zinc/43/35/25/439433525.db2.gz RHYRJHBIEUDBAV-MRXNPFEDSA-N 1 3 347.463 0.170 20 0 ECADHO CN1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000570630569 439434934 /nfs/dbraw/zinc/43/49/34/439434934.db2.gz BDBINMXTZFIPRF-SFHVURJKSA-N 1 3 330.476 1.000 20 0 ECADHO CC(C)[C@](C)(CNC(=O)/C=C\C[NH+](C)C)NC(=O)/C=C\CN(C)C ZINC000491892799 439469979 /nfs/dbraw/zinc/46/99/79/439469979.db2.gz MELZVAXIEAEANJ-QGNBYIBLSA-N 1 3 338.496 0.869 20 0 ECADHO CC(C)[C@](C)(CNC(=O)/C=C\CN(C)C)NC(=O)/C=C\C[NH+](C)C ZINC000491892799 439469980 /nfs/dbraw/zinc/46/99/80/439469980.db2.gz MELZVAXIEAEANJ-QGNBYIBLSA-N 1 3 338.496 0.869 20 0 ECADHO CC(C)(C)[C@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000571046470 439470504 /nfs/dbraw/zinc/47/05/04/439470504.db2.gz IDDRJBGCNPSJKS-GFCCVEGCSA-N 1 3 328.438 0.236 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000571269179 439490413 /nfs/dbraw/zinc/49/04/13/439490413.db2.gz DSZVDCNUBCAJAV-RKVPGOIHSA-N 1 3 336.480 0.435 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000530210002 439492526 /nfs/dbraw/zinc/49/25/26/439492526.db2.gz JLIOZKHAAYTMNV-ZBFHGGJFSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1C[C@@H](CN2CCN(c3ncnc4c3cnn4C)CC2)CC[NH2+]1 ZINC000583740389 439505434 /nfs/dbraw/zinc/50/54/34/439505434.db2.gz ZMTAFAOCKAAUPV-KGLIPLIRSA-N 1 3 329.452 0.873 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000571821664 439535573 /nfs/dbraw/zinc/53/55/73/439535573.db2.gz QPRBKHMIWFMVCP-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1CCN([C@@H]2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)CC1 ZINC000571882558 439538912 /nfs/dbraw/zinc/53/89/12/439538912.db2.gz HKSWVLDGTKYWSW-AABGKKOBSA-N 1 3 346.519 0.629 20 0 ECADHO C[C@@H](CN1CCN(c2ccccn2)CC1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000584167778 439557190 /nfs/dbraw/zinc/55/71/90/439557190.db2.gz GRKTWRDNLDHJNQ-WMZOPIPTSA-N 1 3 347.507 0.637 20 0 ECADHO C[C@@H](CN1CCN(c2ccccn2)CC1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000584167778 439557196 /nfs/dbraw/zinc/55/71/96/439557196.db2.gz GRKTWRDNLDHJNQ-WMZOPIPTSA-N 1 3 347.507 0.637 20 0 ECADHO CCC[NH+](CCC)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572180918 439563980 /nfs/dbraw/zinc/56/39/80/439563980.db2.gz UQEZRDUIZNFWDP-GJZGRUSLSA-N 1 3 339.484 0.452 20 0 ECADHO CN1CCC[C@H](NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000594978176 439645841 /nfs/dbraw/zinc/64/58/41/439645841.db2.gz RDVPVUOVQLINRQ-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCC[C@H](NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000594978176 439645845 /nfs/dbraw/zinc/64/58/45/439645845.db2.gz RDVPVUOVQLINRQ-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO COC(=O)CCNC(=O)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000600203969 439622063 /nfs/dbraw/zinc/62/20/63/439622063.db2.gz HADSIVWAHGKJQN-UHFFFAOYSA-N 1 3 334.420 0.709 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000612446596 439709634 /nfs/dbraw/zinc/70/96/34/439709634.db2.gz VNNFJNXQMKCTAD-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CN1C1CC1 ZINC000611640310 439715502 /nfs/dbraw/zinc/71/55/02/439715502.db2.gz FEGXWFRDKGAAOG-RDBSUJKOSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CN1C1CC1 ZINC000611640310 439715504 /nfs/dbraw/zinc/71/55/04/439715504.db2.gz FEGXWFRDKGAAOG-RDBSUJKOSA-N 1 3 336.480 0.717 20 0 ECADHO [NH3+]C/C=C/CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923481 439746211 /nfs/dbraw/zinc/74/62/11/439746211.db2.gz CKJICSPBEQPHSI-YUKKFKLSSA-N 1 3 347.467 0.223 20 0 ECADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613997245 439767599 /nfs/dbraw/zinc/76/75/99/439767599.db2.gz VKAPEPGVYFVOHK-YSHGAJCASA-N 1 3 342.487 0.917 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612915289 439745805 /nfs/dbraw/zinc/74/58/05/439745805.db2.gz QSOMLYYBXBSZNB-KGLIPLIRSA-N 1 3 347.467 0.070 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CN1C1CC1 ZINC000662754020 439873387 /nfs/dbraw/zinc/87/33/87/439873387.db2.gz BITIKBJBZXCHBI-IPYPFGDCSA-N 1 3 332.452 0.948 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662759483 439877801 /nfs/dbraw/zinc/87/78/01/439877801.db2.gz YDHNYVOGSUAFMT-KBPBESRZSA-N 1 3 334.468 0.242 20 0 ECADHO O=C(NC[C@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000662760285 439881003 /nfs/dbraw/zinc/88/10/03/439881003.db2.gz GLZSYRQDCXBBKX-GDBMZVCRSA-N 1 3 348.491 0.768 20 0 ECADHO C[C@H](CC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000662659168 439837818 /nfs/dbraw/zinc/83/78/18/439837818.db2.gz ISMALFQUJWCJHR-HUUCEWRRSA-N 1 3 326.485 0.491 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000652459435 439857505 /nfs/dbraw/zinc/85/75/05/439857505.db2.gz RDBJIKCOKSADGT-HZPDHXFCSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000652459435 439857508 /nfs/dbraw/zinc/85/75/08/439857508.db2.gz RDBJIKCOKSADGT-HZPDHXFCSA-N 1 3 340.512 0.879 20 0 ECADHO [NH3+]CC1(CCNC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CC1 ZINC000652710035 439935451 /nfs/dbraw/zinc/93/54/51/439935451.db2.gz GYHZHMBVCMXCAD-OAHLLOKOSA-N 1 3 336.480 0.709 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](N)c2ccccc2)cn1 ZINC000652621425 439896079 /nfs/dbraw/zinc/89/60/79/439896079.db2.gz JQRXDYUTVZQCPB-HNNXBMFYSA-N 1 3 344.419 0.199 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H](C)CN1CCOCC1 ZINC000617506285 439901725 /nfs/dbraw/zinc/90/17/25/439901725.db2.gz ITLNFEURJWHXEO-HOTGVXAUSA-N 1 3 328.501 0.343 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652673300 439913121 /nfs/dbraw/zinc/91/31/21/439913121.db2.gz KIQMHPSOZDDBDF-LSDHHAIUSA-N 1 3 338.496 0.810 20 0 ECADHO N[C@@H](CC(F)F)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662859448 439915553 /nfs/dbraw/zinc/91/55/53/439915553.db2.gz MYTCODIKPMXWOD-KBPBESRZSA-N 1 3 327.375 0.852 20 0 ECADHO N[C@@H](CC(F)F)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662859448 439915561 /nfs/dbraw/zinc/91/55/61/439915561.db2.gz MYTCODIKPMXWOD-KBPBESRZSA-N 1 3 327.375 0.852 20 0 ECADHO NC(C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(F)(F)F ZINC000662861183 439916933 /nfs/dbraw/zinc/91/69/33/439916933.db2.gz YAXISHGKZNFWOE-CHWSQXEVSA-N 1 3 331.338 0.759 20 0 ECADHO NC(C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(F)(F)F ZINC000662861183 439916943 /nfs/dbraw/zinc/91/69/43/439916943.db2.gz YAXISHGKZNFWOE-CHWSQXEVSA-N 1 3 331.338 0.759 20 0 ECADHO COC1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC[NH2+]CC1 ZINC000662857923 439917919 /nfs/dbraw/zinc/91/79/19/439917919.db2.gz CZATUFPYHIQMRA-KRWDZBQOSA-N 1 3 347.459 0.638 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662959960 439970371 /nfs/dbraw/zinc/97/03/71/439970371.db2.gz NHHYLFQIKNYRHO-MRXNPFEDSA-N 1 3 332.448 0.179 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000642330372 439973610 /nfs/dbraw/zinc/97/36/10/439973610.db2.gz BCPJSOJYJPUELA-HUUCEWRRSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642329768 439973885 /nfs/dbraw/zinc/97/38/85/439973885.db2.gz IUKXXFRORBCQQT-QXSJWSMHSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000636567339 439936094 /nfs/dbraw/zinc/93/60/94/439936094.db2.gz CMMMWPJBICECQX-PVAVHDDUSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000636567339 439936098 /nfs/dbraw/zinc/93/60/98/439936098.db2.gz CMMMWPJBICECQX-PVAVHDDUSA-N 1 3 348.491 0.863 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000652721061 439943994 /nfs/dbraw/zinc/94/39/94/439943994.db2.gz SUOQORCEVVPLBG-QGZVFWFLSA-N 1 3 346.475 0.963 20 0 ECADHO CC[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000642084389 439944972 /nfs/dbraw/zinc/94/49/72/439944972.db2.gz QUQPSOZIWZQJBZ-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652724903 439947124 /nfs/dbraw/zinc/94/71/24/439947124.db2.gz QCINLFGWUGELIN-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000662933761 439949855 /nfs/dbraw/zinc/94/98/55/439949855.db2.gz HEYBIIZTPVQMFX-SWKXRBFHSA-N 1 3 334.464 0.413 20 0 ECADHO CC1CCN([C@H](CNC(=O)C(=O)NC2C[NH2+]C2)c2ccccc2)CC1 ZINC000642113281 439952002 /nfs/dbraw/zinc/95/20/02/439952002.db2.gz ZLWZLSULBGNUFQ-QGZVFWFLSA-N 1 3 344.459 0.664 20 0 ECADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662941118 439954919 /nfs/dbraw/zinc/95/49/19/439954919.db2.gz NQEGPEOIFZZPAW-KSTDHSDQSA-N 1 3 334.464 0.126 20 0 ECADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662941118 439954926 /nfs/dbraw/zinc/95/49/26/439954926.db2.gz NQEGPEOIFZZPAW-KSTDHSDQSA-N 1 3 334.464 0.126 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000642253893 439960348 /nfs/dbraw/zinc/96/03/48/439960348.db2.gz PBMOBXPQHGWPEX-NVXWUHKLSA-N 1 3 346.475 0.726 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)N1CCN(C)CC1 ZINC000626930265 439961762 /nfs/dbraw/zinc/96/17/62/439961762.db2.gz ZWEGHTVNKKQREQ-OAHLLOKOSA-N 1 3 341.500 0.066 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000636672929 439989508 /nfs/dbraw/zinc/98/95/08/439989508.db2.gz OAJSPWBXNWGLJT-NVXWUHKLSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000636672929 439989514 /nfs/dbraw/zinc/98/95/14/439989514.db2.gz OAJSPWBXNWGLJT-NVXWUHKLSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000636672929 439989520 /nfs/dbraw/zinc/98/95/20/439989520.db2.gz OAJSPWBXNWGLJT-NVXWUHKLSA-N 1 3 348.491 0.720 20 0 ECADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013211 439990574 /nfs/dbraw/zinc/99/05/74/439990574.db2.gz BFJDFLCZZXIAEH-CABCVRRESA-N 1 3 348.495 0.899 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000631927749 439990653 /nfs/dbraw/zinc/99/06/53/439990653.db2.gz IAWRUBZKVMJUJA-DZGCQCFKSA-N 1 3 330.498 0.331 20 0 ECADHO CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017743 439991216 /nfs/dbraw/zinc/99/12/16/439991216.db2.gz KSKXUQBROMNHSB-BBRMVZONSA-N 1 3 346.479 0.523 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017351 439992635 /nfs/dbraw/zinc/99/26/35/439992635.db2.gz JKOJEGVDDZYQJH-SOUVJXGZSA-N 1 3 346.479 0.523 20 0 ECADHO C[C@H]1CN(CCCNC(=O)NC2(C[NH3+])CCOCC2)CCCO1 ZINC000627020431 439993269 /nfs/dbraw/zinc/99/32/69/439993269.db2.gz IISVHHISPXNGJT-AWEZNQCLSA-N 1 3 328.457 0.294 20 0 ECADHO NCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640843 439997962 /nfs/dbraw/zinc/99/79/62/439997962.db2.gz BFFSKSJAZGBPBA-IXDOHACOSA-N 1 3 344.459 0.478 20 0 ECADHO NCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640843 439997967 /nfs/dbraw/zinc/99/79/67/439997967.db2.gz BFFSKSJAZGBPBA-IXDOHACOSA-N 1 3 344.459 0.478 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000647201796 440018409 /nfs/dbraw/zinc/01/84/09/440018409.db2.gz AIQLTHQSRIGRBD-AWEZNQCLSA-N 1 3 343.497 0.482 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCCCC1 ZINC000642785733 440037201 /nfs/dbraw/zinc/03/72/01/440037201.db2.gz FSAFTQFEGLIJLP-OAHLLOKOSA-N 1 3 336.480 0.755 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@@H](CNC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000663372540 440062257 /nfs/dbraw/zinc/06/22/57/440062257.db2.gz NAKNSQJQDUAVQM-PMACEKPBSA-N 1 3 346.519 0.847 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@@H](CNC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000663372540 440062262 /nfs/dbraw/zinc/06/22/62/440062262.db2.gz NAKNSQJQDUAVQM-PMACEKPBSA-N 1 3 346.519 0.847 20 0 ECADHO CN(C[C@@H](O)C[NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1)C1CC1 ZINC000663372540 440062270 /nfs/dbraw/zinc/06/22/70/440062270.db2.gz NAKNSQJQDUAVQM-PMACEKPBSA-N 1 3 346.519 0.847 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@H](CNC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000663372545 440062378 /nfs/dbraw/zinc/06/23/78/440062378.db2.gz NAKNSQJQDUAVQM-WOJBJXKFSA-N 1 3 346.519 0.847 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000663372545 440062385 /nfs/dbraw/zinc/06/23/85/440062385.db2.gz NAKNSQJQDUAVQM-WOJBJXKFSA-N 1 3 346.519 0.847 20 0 ECADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1)C1CC1 ZINC000663372545 440062392 /nfs/dbraw/zinc/06/23/92/440062392.db2.gz NAKNSQJQDUAVQM-WOJBJXKFSA-N 1 3 346.519 0.847 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000642914476 440063501 /nfs/dbraw/zinc/06/35/01/440063501.db2.gz RCQRLWKOGINXTH-DLBZAZTESA-N 1 3 344.459 0.588 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653119459 440071430 /nfs/dbraw/zinc/07/14/30/440071430.db2.gz KOQHHWVHLJHTGW-HZPDHXFCSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642982493 440075172 /nfs/dbraw/zinc/07/51/72/440075172.db2.gz WADUJMACNKDYSZ-OAHLLOKOSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC[NH2+]1 ZINC000642984319 440075491 /nfs/dbraw/zinc/07/54/91/440075491.db2.gz ICVBLOOPTLJDAX-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cn1 ZINC000653121956 440076023 /nfs/dbraw/zinc/07/60/23/440076023.db2.gz HRMODGKEOYHEDX-LSDHHAIUSA-N 1 3 348.451 0.030 20 0 ECADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643006527 440077541 /nfs/dbraw/zinc/07/75/41/440077541.db2.gz OQIAWCNGLBXDRM-LSDHHAIUSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642990023 440078935 /nfs/dbraw/zinc/07/89/35/440078935.db2.gz GENFSTPNFWYWOS-GDBMZVCRSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCN(C[C@H](C)CNS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632030896 440048665 /nfs/dbraw/zinc/04/86/65/440048665.db2.gz BBUWVRUDALOXGJ-OAHLLOKOSA-N 1 3 334.530 0.131 20 0 ECADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642900717 440052071 /nfs/dbraw/zinc/05/20/71/440052071.db2.gz QLAHPCPJBSPDDC-BLNMRFBMSA-N 1 3 334.464 0.471 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642895200 440053046 /nfs/dbraw/zinc/05/30/46/440053046.db2.gz FGEGODQCWSSJGB-KRWDZBQOSA-N 1 3 346.475 0.835 20 0 ECADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000642903051 440054534 /nfs/dbraw/zinc/05/45/34/440054534.db2.gz AHRUUCNOSSVPPH-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000642906647 440058225 /nfs/dbraw/zinc/05/82/25/440058225.db2.gz ZPNVAQVBFIZBBS-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(=O)NCC[NH+](C)C ZINC000647717216 440125780 /nfs/dbraw/zinc/12/57/80/440125780.db2.gz CXFXKRZJFYARPU-HOCLYGCPSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CCC(C)CC1 ZINC000627331696 440127116 /nfs/dbraw/zinc/12/71/16/440127116.db2.gz FSGJGBIHIKSNNT-HUUCEWRRSA-N 1 3 336.480 0.624 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000627335165 440130289 /nfs/dbraw/zinc/13/02/89/440130289.db2.gz NMARGHTYXKAKNN-OAHLLOKOSA-N 1 3 334.464 0.820 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000627335165 440130298 /nfs/dbraw/zinc/13/02/98/440130298.db2.gz NMARGHTYXKAKNN-OAHLLOKOSA-N 1 3 334.464 0.820 20 0 ECADHO CCN(C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[C@H]1CCN(CC)C1 ZINC000658822468 440139542 /nfs/dbraw/zinc/13/95/42/440139542.db2.gz RENARVBDYZUPRJ-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[C@H]1CCN(CC)C1 ZINC000658822468 440139547 /nfs/dbraw/zinc/13/95/47/440139547.db2.gz RENARVBDYZUPRJ-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CCN1CCCCC1)C[NH+]1CCCC1 ZINC000653376631 440140510 /nfs/dbraw/zinc/14/05/10/440140510.db2.gz GXAIEVYCBQNKRH-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCc2ccc(C[NH3+])cc2F)CC1=O ZINC000653224050 440096638 /nfs/dbraw/zinc/09/66/38/440096638.db2.gz HWOQDQWXYCRCGF-AWEZNQCLSA-N 1 3 336.411 0.311 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[NH2+]1 ZINC000627292962 440101045 /nfs/dbraw/zinc/10/10/45/440101045.db2.gz IETWWDPSCCKOFE-HYVNUMGLSA-N 1 3 346.475 0.532 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000627292825 440101348 /nfs/dbraw/zinc/10/13/48/440101348.db2.gz DVWPNZXSXSCXCZ-NUEKZKHPSA-N 1 3 332.448 0.142 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000627310077 440113834 /nfs/dbraw/zinc/11/38/34/440113834.db2.gz HTBXTTMXSRGRET-UHFFFAOYSA-N 1 3 332.448 0.706 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC)CCN)[C@H](C)C1 ZINC000627313382 440115845 /nfs/dbraw/zinc/11/58/45/440115845.db2.gz CWRQQKKTLPGOTM-CABCVRRESA-N 1 3 342.484 0.047 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC)CCN)[C@H](C)C1 ZINC000627313382 440115848 /nfs/dbraw/zinc/11/58/48/440115848.db2.gz CWRQQKKTLPGOTM-CABCVRRESA-N 1 3 342.484 0.047 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627394811 440176652 /nfs/dbraw/zinc/17/66/52/440176652.db2.gz QUXXEPAZCNDDSO-ZIAGYGMSSA-N 1 3 336.480 0.624 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC[C@@H]1[NH3+] ZINC000643492863 440184387 /nfs/dbraw/zinc/18/43/87/440184387.db2.gz SIYVWOLQQJRERO-OAGGEKHMSA-N 1 3 336.480 0.659 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643500552 440188773 /nfs/dbraw/zinc/18/87/73/440188773.db2.gz ASQSHGZKIWXQSI-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1)[C@@H]1CCN(CC)C1 ZINC000658829259 440146236 /nfs/dbraw/zinc/14/62/36/440146236.db2.gz JANHVNUCOLSXBK-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000643593735 440216989 /nfs/dbraw/zinc/21/69/89/440216989.db2.gz MBZBVLCUNWNSRG-YVSFHVDLSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[NH2+]1 ZINC000627481888 440232885 /nfs/dbraw/zinc/23/28/85/440232885.db2.gz JIMJPKRJOMOWBU-UONOGXRCSA-N 1 3 336.436 0.427 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627442402 440206665 /nfs/dbraw/zinc/20/66/65/440206665.db2.gz IXAVTAKQHSIAOI-UKRRQHHQSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000627501718 440244307 /nfs/dbraw/zinc/24/43/07/440244307.db2.gz VRBCEKGPFUPNHI-BHYGNILZSA-N 1 3 344.459 0.586 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664222443 440261763 /nfs/dbraw/zinc/26/17/63/440261763.db2.gz VOZDFALCBGVZCC-CVEARBPZSA-N 1 3 327.517 0.899 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637403006 440262228 /nfs/dbraw/zinc/26/22/28/440262228.db2.gz GXPLFIMRKCNAIC-RBSFLKMASA-N 1 3 339.484 0.308 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637403006 440262231 /nfs/dbraw/zinc/26/22/31/440262231.db2.gz GXPLFIMRKCNAIC-RBSFLKMASA-N 1 3 339.484 0.308 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664222444 440263358 /nfs/dbraw/zinc/26/33/58/440263358.db2.gz VOZDFALCBGVZCC-HOTGVXAUSA-N 1 3 327.517 0.899 20 0 ECADHO CN(C)CCN(Cc1ccccc1F)C(=O)c1cn(CC[NH3+])nn1 ZINC000659307047 440295982 /nfs/dbraw/zinc/29/59/82/440295982.db2.gz JOMBWLISMKCQOU-UHFFFAOYSA-N 1 3 334.399 0.580 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)CN1C1CC1 ZINC000664366810 440299938 /nfs/dbraw/zinc/29/99/38/440299938.db2.gz CHNSNSLSADPBIE-LSDHHAIUSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654373786 440305273 /nfs/dbraw/zinc/30/52/73/440305273.db2.gz BLOMGJQDRSWAFZ-LUKYLMHMSA-N 1 3 338.496 0.815 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCCC[NH+]2CCCC2)n1 ZINC000659495846 440343703 /nfs/dbraw/zinc/34/37/03/440343703.db2.gz IGPOYWGFSGFRNP-UHFFFAOYSA-N 1 3 336.440 0.706 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C1 ZINC000637835137 440347483 /nfs/dbraw/zinc/34/74/83/440347483.db2.gz KQYACVALZMAMEX-ZDUSSCGKSA-N 1 3 345.447 0.985 20 0 ECADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCOC2(CNC2)C1 ZINC000659588814 440368217 /nfs/dbraw/zinc/36/82/17/440368217.db2.gz ITRADZPTOLYOPG-HOTGVXAUSA-N 1 3 348.422 0.655 20 0 ECADHO C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000659435308 440325711 /nfs/dbraw/zinc/32/57/11/440325711.db2.gz XMCKGNZKSJRBGV-VXGBXAGGSA-N 1 3 336.440 0.561 20 0 ECADHO C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@H+]1CCC[C@@H](C)C1 ZINC000659435308 440325716 /nfs/dbraw/zinc/32/57/16/440325716.db2.gz XMCKGNZKSJRBGV-VXGBXAGGSA-N 1 3 336.440 0.561 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)C2)cc1 ZINC000637720816 440327755 /nfs/dbraw/zinc/32/77/55/440327755.db2.gz XDMZIECKPMAOKB-HKUYNNGSSA-N 1 3 346.475 0.935 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@]3(O)CC[N@H+](C)C3)C2)cc1 ZINC000637720816 440327760 /nfs/dbraw/zinc/32/77/60/440327760.db2.gz XDMZIECKPMAOKB-HKUYNNGSSA-N 1 3 346.475 0.935 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659681065 440417365 /nfs/dbraw/zinc/41/73/65/440417365.db2.gz OXNIUFXSFFLSBY-UGUYLWEFSA-N 1 3 338.496 0.809 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000638077435 440424658 /nfs/dbraw/zinc/42/46/58/440424658.db2.gz SLDHGXZHQDBVJJ-JKQORVJESA-N 1 3 327.469 0.759 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(C[NH3+])CCCOC2)C[C@@H](C)O1 ZINC000638075144 440427221 /nfs/dbraw/zinc/42/72/21/440427221.db2.gz CFOSLDPGZQIERO-INMHGKMJSA-N 1 3 327.469 0.748 20 0 ECADHO O=C(NCC12CC(C1)C[NH2+]2)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000659615905 440375959 /nfs/dbraw/zinc/37/59/59/440375959.db2.gz CARSCQYZHYFZIN-NKELODKYSA-N 1 3 344.459 0.675 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000659630200 440382305 /nfs/dbraw/zinc/38/23/05/440382305.db2.gz GLKSIVOYWUNACX-WCQYABFASA-N 1 3 336.440 0.513 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000659630200 440382310 /nfs/dbraw/zinc/38/23/10/440382310.db2.gz GLKSIVOYWUNACX-WCQYABFASA-N 1 3 336.440 0.513 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000659694411 440428221 /nfs/dbraw/zinc/42/82/21/440428221.db2.gz JNGQZEGAXBFTGP-HUUCEWRRSA-N 1 3 326.485 0.583 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000628050424 440398745 /nfs/dbraw/zinc/39/87/45/440398745.db2.gz CZLSRVRICHACAX-WMLDXEAASA-N 1 3 346.475 0.902 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000628050424 440398751 /nfs/dbraw/zinc/39/87/51/440398751.db2.gz CZLSRVRICHACAX-WMLDXEAASA-N 1 3 346.475 0.902 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000659694412 440428463 /nfs/dbraw/zinc/42/84/63/440428463.db2.gz JNGQZEGAXBFTGP-LSDHHAIUSA-N 1 3 326.485 0.583 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000638047613 440407478 /nfs/dbraw/zinc/40/74/78/440407478.db2.gz IIZGTCZUYXAITM-JKSUJKDBSA-N 1 3 348.447 0.813 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638141850 440462610 /nfs/dbraw/zinc/46/26/10/440462610.db2.gz ILJFBFYOXWNDGT-SJORKVTESA-N 1 3 341.496 0.962 20 0 ECADHO C[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000638141751 440464373 /nfs/dbraw/zinc/46/43/73/440464373.db2.gz WBOSLHQCLGDKKC-SJLPKXTDSA-N 1 3 347.507 0.198 20 0 ECADHO C[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000638141751 440464376 /nfs/dbraw/zinc/46/43/76/440464376.db2.gz WBOSLHQCLGDKKC-SJLPKXTDSA-N 1 3 347.507 0.198 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659727363 440464829 /nfs/dbraw/zinc/46/48/29/440464829.db2.gz DJKDKTNSFCUXKR-CQSZACIVSA-N 1 3 347.463 0.134 20 0 ECADHO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000649328267 440465700 /nfs/dbraw/zinc/46/57/00/440465700.db2.gz KBDNPTOKWCXXHL-CALCHBBNSA-N 1 3 344.459 0.866 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)C[C@H]2N)cn1 ZINC000644198343 440470864 /nfs/dbraw/zinc/47/08/64/440470864.db2.gz XNFOFRFRUIMRGD-SJJHQCBESA-N 1 3 346.479 0.873 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000665167298 440430091 /nfs/dbraw/zinc/43/00/91/440430091.db2.gz UEOZUIWVAQBSTK-KBPBESRZSA-N 1 3 349.470 0.897 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000665167298 440430097 /nfs/dbraw/zinc/43/00/97/440430097.db2.gz UEOZUIWVAQBSTK-KBPBESRZSA-N 1 3 349.470 0.897 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000665172500 440431805 /nfs/dbraw/zinc/43/18/05/440431805.db2.gz INCFVAIAVYBBBG-UHFFFAOYSA-N 1 3 341.500 0.521 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(O)CCOC1 ZINC000665225856 440436123 /nfs/dbraw/zinc/43/61/23/440436123.db2.gz XBMCVSXKDIGOLB-GOEBONIOSA-N 1 3 330.473 0.099 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(O)CCOC1 ZINC000665225856 440436129 /nfs/dbraw/zinc/43/61/29/440436129.db2.gz XBMCVSXKDIGOLB-GOEBONIOSA-N 1 3 330.473 0.099 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)[C@H](C[NH3+])C1 ZINC000659702405 440436969 /nfs/dbraw/zinc/43/69/69/440436969.db2.gz RCUZPAOZUHMLHW-WWGRRREGSA-N 1 3 342.509 0.126 20 0 ECADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1CNCCC1(F)F ZINC000644082782 440441405 /nfs/dbraw/zinc/44/14/05/440441405.db2.gz LHYGVZRVDBCXKU-LBPRGKRZSA-N 1 3 325.363 0.675 20 0 ECADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC3CC2(CN)C3)cc1 ZINC000659706148 440442439 /nfs/dbraw/zinc/44/24/39/440442439.db2.gz DSMBCZLKHXDINQ-UHFFFAOYSA-N 1 3 344.459 0.357 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000665293812 440447617 /nfs/dbraw/zinc/44/76/17/440447617.db2.gz DGXLFGZDWWNJNT-KSSFIOAISA-N 1 3 341.415 0.986 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659716645 440450791 /nfs/dbraw/zinc/45/07/91/440450791.db2.gz BODBUYSWIXNJEF-CABCVRRESA-N 1 3 342.484 0.045 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659718789 440453800 /nfs/dbraw/zinc/45/38/00/440453800.db2.gz RPXDMYISZWBKJI-CQSZACIVSA-N 1 3 347.463 0.263 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)CC1 ZINC000638136817 440455167 /nfs/dbraw/zinc/45/51/67/440455167.db2.gz NAYQNHJLSSTTTP-DLBZAZTESA-N 1 3 332.448 0.879 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(CO)COC)CC2)CC1 ZINC000655001075 440456016 /nfs/dbraw/zinc/45/60/16/440456016.db2.gz OXTMOQXVXMDQPQ-GOSISDBHSA-N 1 3 341.496 0.696 20 0 ECADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659722226 440459315 /nfs/dbraw/zinc/45/93/15/440459315.db2.gz KNWGRABVABPEAF-OAHLLOKOSA-N 1 3 334.464 0.546 20 0 ECADHO C[C@@H](CNC(=O)Cc1cccc2c1CC[NH2+]C2)CN1CCN(C)CC1 ZINC000638138095 440459899 /nfs/dbraw/zinc/45/98/99/440459899.db2.gz VKEPXTFVGVLNLI-INIZCTEOSA-N 1 3 344.503 0.875 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000659758191 440491837 /nfs/dbraw/zinc/49/18/37/440491837.db2.gz YVCCXOPNHNUGLL-DOTOQJQBSA-N 1 3 346.475 0.486 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000659755764 440492392 /nfs/dbraw/zinc/49/23/92/440492392.db2.gz ZVHVMRTYIDGWIL-HNNXBMFYSA-N 1 3 334.464 0.609 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(OCCO)CC1 ZINC000665760437 440523433 /nfs/dbraw/zinc/52/34/33/440523433.db2.gz IWMQLKLAKLRSIP-HNNXBMFYSA-N 1 3 344.500 0.441 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(OCCO)CC1 ZINC000665760437 440523436 /nfs/dbraw/zinc/52/34/36/440523436.db2.gz IWMQLKLAKLRSIP-HNNXBMFYSA-N 1 3 344.500 0.441 20 0 ECADHO CC(C)C[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCNC1=O ZINC000633613767 440525477 /nfs/dbraw/zinc/52/54/77/440525477.db2.gz FTTDOIGSWURTMY-YJBOKZPZSA-N 1 3 340.512 0.927 20 0 ECADHO CC(C)C[C@@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCNC1=O ZINC000633613767 440525485 /nfs/dbraw/zinc/52/54/85/440525485.db2.gz FTTDOIGSWURTMY-YJBOKZPZSA-N 1 3 340.512 0.927 20 0 ECADHO CO[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)[C@H]1CCOC1 ZINC000660057031 440585476 /nfs/dbraw/zinc/58/54/76/440585476.db2.gz SLNMQBBJXKSYRB-JKSUJKDBSA-N 1 3 327.469 0.428 20 0 ECADHO O=C(Nc1ccc2c(c1)OCCNC2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000638670518 440599229 /nfs/dbraw/zinc/59/92/29/440599229.db2.gz HMZRPDUWMNYIPI-AWEZNQCLSA-N 1 3 342.403 0.937 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638728273 440608041 /nfs/dbraw/zinc/60/80/41/440608041.db2.gz MFSUJZXTYHZQDV-DOTOQJQBSA-N 1 3 339.480 0.857 20 0 ECADHO CC[C@@H](CNS(C)(=O)=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772754 440622603 /nfs/dbraw/zinc/62/26/03/440622603.db2.gz MALWQTXCSQZWQO-DZGCQCFKSA-N 1 3 333.498 0.547 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000660304737 440632367 /nfs/dbraw/zinc/63/23/67/440632367.db2.gz GUUAPCOUYOTDRA-GJZGRUSLSA-N 1 3 340.468 0.607 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000660304737 440632373 /nfs/dbraw/zinc/63/23/73/440632373.db2.gz GUUAPCOUYOTDRA-GJZGRUSLSA-N 1 3 340.468 0.607 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000639006247 440664107 /nfs/dbraw/zinc/66/41/07/440664107.db2.gz UDCLCHBWWOCLHB-WMZOPIPTSA-N 1 3 346.475 0.785 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020703 440666426 /nfs/dbraw/zinc/66/64/26/440666426.db2.gz LCILDDDBZMVYOK-HOTGVXAUSA-N 1 3 327.469 0.572 20 0 ECADHO [NH3+]C[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)C(F)(F)F ZINC000655918509 440644491 /nfs/dbraw/zinc/64/44/91/440644491.db2.gz KREOQVCCDSYBBY-LBPRGKRZSA-N 1 3 338.374 0.630 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634703734 440691607 /nfs/dbraw/zinc/69/16/07/440691607.db2.gz AIFZHJRBOCRIGR-FUHWJXTLSA-N 1 3 341.496 0.431 20 0 ECADHO CC1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC[NH2+]CC1 ZINC000656025082 440694743 /nfs/dbraw/zinc/69/47/43/440694743.db2.gz XKXCEAQWQKDGPU-LSDHHAIUSA-N 1 3 336.480 0.625 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028033 440698334 /nfs/dbraw/zinc/69/83/34/440698334.db2.gz HNJKDBLDLBGAGS-CVEARBPZSA-N 1 3 336.480 0.707 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000656069805 440707497 /nfs/dbraw/zinc/70/74/97/440707497.db2.gz PTWQPBDHWAMORL-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656303215 440755996 /nfs/dbraw/zinc/75/59/96/440755996.db2.gz HNSXFXHAFTVLNT-XUWVNRHRSA-N 1 3 338.496 0.679 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000639506067 440730398 /nfs/dbraw/zinc/73/03/98/440730398.db2.gz FWZJGCJSELXIQR-DLBZAZTESA-N 1 3 344.496 0.712 20 0 ECADHO Cc1ncc2n1C[C@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)CC2 ZINC000651335161 440805220 /nfs/dbraw/zinc/80/52/20/440805220.db2.gz DNGSKKPESIEVME-MRXNPFEDSA-N 1 3 333.480 0.898 20 0 ECADHO Cc1ncc2n1C[C@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)CC2 ZINC000651335161 440805226 /nfs/dbraw/zinc/80/52/26/440805226.db2.gz DNGSKKPESIEVME-MRXNPFEDSA-N 1 3 333.480 0.898 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000645451164 440807236 /nfs/dbraw/zinc/80/72/36/440807236.db2.gz FINGHWKQGBTFMD-AWEZNQCLSA-N 1 3 339.484 0.622 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000645451164 440807240 /nfs/dbraw/zinc/80/72/40/440807240.db2.gz FINGHWKQGBTFMD-AWEZNQCLSA-N 1 3 339.484 0.622 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656308346 440760647 /nfs/dbraw/zinc/76/06/47/440760647.db2.gz CJSWTCOTVPLOFJ-HZPDHXFCSA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656308346 440760651 /nfs/dbraw/zinc/76/06/51/440760651.db2.gz CJSWTCOTVPLOFJ-HZPDHXFCSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629802572 440769093 /nfs/dbraw/zinc/76/90/93/440769093.db2.gz JFFKTPRWODCXME-OLMNPRSZSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000645268392 440772718 /nfs/dbraw/zinc/77/27/18/440772718.db2.gz SJKSAOUMOXFGOX-MJBXVCDLSA-N 1 3 337.468 0.373 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000645268392 440772723 /nfs/dbraw/zinc/77/27/23/440772723.db2.gz SJKSAOUMOXFGOX-MJBXVCDLSA-N 1 3 337.468 0.373 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656343148 440781386 /nfs/dbraw/zinc/78/13/86/440781386.db2.gz LJTPMUGMXREVEX-XUWVNRHRSA-N 1 3 336.480 0.576 20 0 ECADHO [NH3+]CCOCC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000645597439 440856159 /nfs/dbraw/zinc/85/61/59/440856159.db2.gz GBLSHTPIXLUAIR-UHFFFAOYSA-N 1 3 334.464 0.680 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000635328791 440821172 /nfs/dbraw/zinc/82/11/72/440821172.db2.gz SOUHZZWHCCUQNK-HZPDHXFCSA-N 1 3 327.469 0.714 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000635328791 440821176 /nfs/dbraw/zinc/82/11/76/440821176.db2.gz SOUHZZWHCCUQNK-HZPDHXFCSA-N 1 3 327.469 0.714 20 0 ECADHO C[C@@H]1CN(CCOCC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661625110 440889430 /nfs/dbraw/zinc/88/94/30/440889430.db2.gz LHKLCPZDKVEVIR-YXISZKLHSA-N 1 3 328.497 0.900 20 0 ECADHO C[C@@H]1C[N@H+](CCOCCN2C[C@H](C)C(O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661625110 440889435 /nfs/dbraw/zinc/88/94/35/440889435.db2.gz LHKLCPZDKVEVIR-YXISZKLHSA-N 1 3 328.497 0.900 20 0 ECADHO C[C@@H]1C[N@@H+](CCOCCN2C[C@H](C)C(O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661625110 440889441 /nfs/dbraw/zinc/88/94/41/440889441.db2.gz LHKLCPZDKVEVIR-YXISZKLHSA-N 1 3 328.497 0.900 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000635549224 440893048 /nfs/dbraw/zinc/89/30/48/440893048.db2.gz FIEIKPVJXPDNKT-INIZCTEOSA-N 1 3 327.469 0.524 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000635549224 440893052 /nfs/dbraw/zinc/89/30/52/440893052.db2.gz FIEIKPVJXPDNKT-INIZCTEOSA-N 1 3 327.469 0.524 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000640568945 440952836 /nfs/dbraw/zinc/95/28/36/440952836.db2.gz BOVXYNUEICQIFI-AEFFLSMTSA-N 1 3 337.512 0.798 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635703139 440955896 /nfs/dbraw/zinc/95/58/96/440955896.db2.gz IEEZNZMNVSVXBU-MRXNPFEDSA-N 1 3 348.491 0.627 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635703637 440955943 /nfs/dbraw/zinc/95/59/43/440955943.db2.gz MQYMWRZFUNSJCF-IAGOWNOFSA-N 1 3 348.491 0.768 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635703637 440955949 /nfs/dbraw/zinc/95/59/49/440955949.db2.gz MQYMWRZFUNSJCF-IAGOWNOFSA-N 1 3 348.491 0.768 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)COC3CCC([NH3+])CC3)CC2)C1 ZINC000646002815 440967877 /nfs/dbraw/zinc/96/78/77/440967877.db2.gz FXZCICVGTNKDFE-CGZBRXJRSA-N 1 3 338.496 0.511 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662260801 440998885 /nfs/dbraw/zinc/99/88/85/440998885.db2.gz QMHWBWIALXBPBA-KURKYZTESA-N 1 3 336.524 0.998 20 0 ECADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662407455 441032576 /nfs/dbraw/zinc/03/25/76/441032576.db2.gz CFGSUMGRDYPWMV-AWEZNQCLSA-N 1 3 343.353 0.972 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CC[N@@H+]1C ZINC000631288885 441039808 /nfs/dbraw/zinc/03/98/08/441039808.db2.gz MZTYFVQJCHLBOW-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CC[N@H+]1C ZINC000631288885 441039812 /nfs/dbraw/zinc/03/98/12/441039812.db2.gz MZTYFVQJCHLBOW-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2CCCCN2CCO)c(F)c1 ZINC000652270073 441043059 /nfs/dbraw/zinc/04/30/59/441043059.db2.gz SXQPQQKDCKFVQC-OAHLLOKOSA-N 1 3 338.427 0.930 20 0 ECADHO O=C(Cn1cc([C@H]2CCC[NH2+]C2)nn1)NC1CCN(C2CC2)CC1 ZINC000641005833 441044332 /nfs/dbraw/zinc/04/43/32/441044332.db2.gz YUDQYNCOIXIZFW-ZDUSSCGKSA-N 1 3 332.452 0.488 20 0 ECADHO CC(C)[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000662479521 441052728 /nfs/dbraw/zinc/05/27/28/441052728.db2.gz KHQNMWOKRJORRK-ZBFHGGJFSA-N 1 3 348.495 0.488 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000635969518 441055686 /nfs/dbraw/zinc/05/56/86/441055686.db2.gz BNTAPGFGRHGJCZ-INIZCTEOSA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000635969518 441055691 /nfs/dbraw/zinc/05/56/91/441055691.db2.gz BNTAPGFGRHGJCZ-INIZCTEOSA-N 1 3 341.496 0.914 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350091 441058516 /nfs/dbraw/zinc/05/85/16/441058516.db2.gz FKXNGHNCJSZNMV-ZNMIVQPWSA-N 1 3 333.498 0.534 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339581943 320987464 /nfs/dbraw/zinc/98/74/64/320987464.db2.gz OGFBHUNKRSDFFN-INIZCTEOSA-N 1 3 338.496 0.635 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(CC)CC1 ZINC000339672175 320996010 /nfs/dbraw/zinc/99/60/10/320996010.db2.gz XGYRYCZOBRFOQJ-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCCN1CCN(CCO)CC1 ZINC000340233590 321026887 /nfs/dbraw/zinc/02/68/87/321026887.db2.gz XIMXDIVQUKEFCJ-IRXDYDNUSA-N 1 3 340.512 0.366 20 0 ECADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000340585669 321045923 /nfs/dbraw/zinc/04/59/23/321045923.db2.gz QHNQOYWRBGEBFX-CABCVRRESA-N 1 3 342.484 0.060 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000347052840 321228793 /nfs/dbraw/zinc/22/87/93/321228793.db2.gz KOBKVFNSICLHPV-ZBFHGGJFSA-N 1 3 338.496 0.824 20 0 ECADHO CCCC(=O)N1CCC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000531357100 322039198 /nfs/dbraw/zinc/03/91/98/322039198.db2.gz FDZMCERQQVKVQF-INIZCTEOSA-N 1 3 340.512 0.977 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000550042619 322164672 /nfs/dbraw/zinc/16/46/72/322164672.db2.gz VAOZCCZSHLQFPP-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000557137592 322204887 /nfs/dbraw/zinc/20/48/87/322204887.db2.gz CKNVWGDAMOGXMG-KRWDZBQOSA-N 1 3 333.480 0.923 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000557137592 322204889 /nfs/dbraw/zinc/20/48/89/322204889.db2.gz CKNVWGDAMOGXMG-KRWDZBQOSA-N 1 3 333.480 0.923 20 0 ECADHO CC1CCC(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000560327890 322233656 /nfs/dbraw/zinc/23/36/56/322233656.db2.gz LPAWRSBCWHQLJI-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000561049884 322252946 /nfs/dbraw/zinc/25/29/46/322252946.db2.gz HQJUBPNNGQKCIA-UHFFFAOYSA-N 1 3 333.440 0.444 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(-c2cccnc2)nn1 ZINC000562673722 322280657 /nfs/dbraw/zinc/28/06/57/322280657.db2.gz HJSRFZDIWVKQGD-UHFFFAOYSA-N 1 3 331.424 0.228 20 0 ECADHO CN(C(=O)NCc1ccccc1CN1CC[C@@H](O)C1)C1CC([NH3+])C1 ZINC000563584498 322329580 /nfs/dbraw/zinc/32/95/80/322329580.db2.gz LQLCKFPKOHBOBV-OFLPRAFFSA-N 1 3 332.448 0.884 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000564329491 322369850 /nfs/dbraw/zinc/36/98/50/322369850.db2.gz VDHRYNKXNCWBTG-HNNXBMFYSA-N 1 3 343.497 0.421 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1(C)C ZINC000565715902 322473380 /nfs/dbraw/zinc/47/33/80/322473380.db2.gz VLMBDXVSDYPJRK-IYOUNJFTSA-N 1 3 339.480 0.733 20 0 ECADHO O=C(NC[C@H]1CCCN(C(=O)C23CCCN2CCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000566618041 322545727 /nfs/dbraw/zinc/54/57/27/322545727.db2.gz YQGOYNDIBGBDFF-CVEARBPZSA-N 1 3 348.491 0.722 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000569710243 322662485 /nfs/dbraw/zinc/66/24/85/322662485.db2.gz DZWLPDKXQBOLHF-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000576838147 322817801 /nfs/dbraw/zinc/81/78/01/322817801.db2.gz HKKNQSCVTQLURO-KGLIPLIRSA-N 1 3 337.468 0.203 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000578174460 322857063 /nfs/dbraw/zinc/85/70/63/322857063.db2.gz DABVHHOUDMSQSZ-HNNXBMFYSA-N 1 3 326.485 0.727 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)o2)C1 ZINC000268828627 545954208 /nfs/dbraw/zinc/95/42/08/545954208.db2.gz NSBRKGOCAVMWBA-ZIAGYGMSSA-N 1 3 348.447 0.832 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000342983163 546088378 /nfs/dbraw/zinc/08/83/78/546088378.db2.gz ACPGRZOZNLRNAZ-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000342983163 546088381 /nfs/dbraw/zinc/08/83/81/546088381.db2.gz ACPGRZOZNLRNAZ-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000343017298 546094186 /nfs/dbraw/zinc/09/41/86/546094186.db2.gz SMTMTDXYAVNPCA-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCNC(C)(C)C2)CC1 ZINC000417558275 546210744 /nfs/dbraw/zinc/21/07/44/546210744.db2.gz FCFLCRXNZLEJMQ-UHFFFAOYSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621839158 546571830 /nfs/dbraw/zinc/57/18/30/546571830.db2.gz OPCPZGOADHRENH-BASYENTBSA-N 1 3 336.480 0.563 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1)C2 ZINC000622027018 546608603 /nfs/dbraw/zinc/60/86/03/546608603.db2.gz WLJHTLVZRZHSIT-GJYPPUQNSA-N 1 3 348.491 0.803 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623482226 546794447 /nfs/dbraw/zinc/79/44/47/546794447.db2.gz HKSOTFPCDGZNQE-CQSZACIVSA-N 1 3 336.484 0.846 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623482226 546794451 /nfs/dbraw/zinc/79/44/51/546794451.db2.gz HKSOTFPCDGZNQE-CQSZACIVSA-N 1 3 336.484 0.846 20 0 ECADHO Nc1nc(N)nc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000624097961 546878038 /nfs/dbraw/zinc/87/80/38/546878038.db2.gz KRYMDSOVTLAEHZ-RBSFLKMASA-N 1 3 339.447 0.831 20 0 ECADHO Nc1nc(N)nc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000624097961 546878040 /nfs/dbraw/zinc/87/80/40/546878040.db2.gz KRYMDSOVTLAEHZ-RBSFLKMASA-N 1 3 339.447 0.831 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000667389348 547510750 /nfs/dbraw/zinc/51/07/50/547510750.db2.gz PPTAHYGPYBBHAS-UHFFFAOYSA-N 1 3 347.463 0.930 20 0 ECADHO O=C(Nc1cnc(N2CCNCC2)nc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000667820604 547560572 /nfs/dbraw/zinc/56/05/72/547560572.db2.gz QRKVQFPWVUOFEK-CQSZACIVSA-N 1 3 345.451 0.492 20 0 ECADHO O=C(Nc1cnc(N2CCNCC2)nc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000667820604 547560576 /nfs/dbraw/zinc/56/05/76/547560576.db2.gz QRKVQFPWVUOFEK-CQSZACIVSA-N 1 3 345.451 0.492 20 0 ECADHO CCN(C(=O)C(=O)NCCN1CCC(C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000668497279 547669636 /nfs/dbraw/zinc/66/96/36/547669636.db2.gz GZHJKYDLYXLSLF-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NCCN1CCC(C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668497279 547669641 /nfs/dbraw/zinc/66/96/41/547669641.db2.gz GZHJKYDLYXLSLF-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668625081 547705302 /nfs/dbraw/zinc/70/53/02/547705302.db2.gz ZZMCDDXNVSMYGK-UONOGXRCSA-N 1 3 326.485 0.822 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000668692435 547727367 /nfs/dbraw/zinc/72/73/67/547727367.db2.gz FDKQWSOVOYKVMZ-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000668692435 547727374 /nfs/dbraw/zinc/72/73/74/547727374.db2.gz FDKQWSOVOYKVMZ-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668797330 547753145 /nfs/dbraw/zinc/75/31/45/547753145.db2.gz ZYLAUNGLZGPBEX-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668797330 547753149 /nfs/dbraw/zinc/75/31/49/547753149.db2.gz ZYLAUNGLZGPBEX-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@H](CN)C1 ZINC000668809870 547755652 /nfs/dbraw/zinc/75/56/52/547755652.db2.gz LSVCPWOJGXRPOI-QGZVFWFLSA-N 1 3 333.480 0.793 20 0 ECADHO CN1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H](CN)C1 ZINC000668809870 547755653 /nfs/dbraw/zinc/75/56/53/547755653.db2.gz LSVCPWOJGXRPOI-QGZVFWFLSA-N 1 3 333.480 0.793 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CCN(CC)C1 ZINC000668831500 547762235 /nfs/dbraw/zinc/76/22/35/547762235.db2.gz WILXIIMQFHRYKH-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CCN(CC)C1 ZINC000668831500 547762237 /nfs/dbraw/zinc/76/22/37/547762237.db2.gz WILXIIMQFHRYKH-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000668933080 547793093 /nfs/dbraw/zinc/79/30/93/547793093.db2.gz AMEUBUVKARUVED-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000669144752 547840337 /nfs/dbraw/zinc/84/03/37/547840337.db2.gz UVEQCFYJVHNRJW-KGLIPLIRSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000669353340 547881710 /nfs/dbraw/zinc/88/17/10/547881710.db2.gz AHKVHESPOQWNFR-MRXNPFEDSA-N 1 3 333.480 0.841 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CCO1 ZINC000669400958 547886015 /nfs/dbraw/zinc/88/60/15/547886015.db2.gz OPIOQPYDXRMCOJ-UAGQMJEPSA-N 1 3 334.464 0.917 20 0 ECADHO [NH3+]C/C=C/CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000669430866 547890052 /nfs/dbraw/zinc/89/00/52/547890052.db2.gz LIMCCZOVFJQTLU-OWOJBTEDSA-N 1 3 332.452 0.408 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000670783543 548049562 /nfs/dbraw/zinc/04/95/62/548049562.db2.gz AYOIHZUFBVQOOC-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000670783543 548049565 /nfs/dbraw/zinc/04/95/65/548049565.db2.gz AYOIHZUFBVQOOC-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000670783545 548049659 /nfs/dbraw/zinc/04/96/59/548049659.db2.gz AYOIHZUFBVQOOC-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000670783545 548049661 /nfs/dbraw/zinc/04/96/61/548049661.db2.gz AYOIHZUFBVQOOC-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)NC1CCN(C2CC2)CC1 ZINC000671180084 548105749 /nfs/dbraw/zinc/10/57/49/548105749.db2.gz FHNACUQEBYNPJD-HZPDHXFCSA-N 1 3 334.464 0.472 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC1CCN(C2CC2)CC1 ZINC000671180084 548105753 /nfs/dbraw/zinc/10/57/53/548105753.db2.gz FHNACUQEBYNPJD-HZPDHXFCSA-N 1 3 334.464 0.472 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000671963691 548247767 /nfs/dbraw/zinc/24/77/67/548247767.db2.gz SNGRBTVMJNPEGJ-OAHLLOKOSA-N 1 3 326.485 0.824 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672203751 548280887 /nfs/dbraw/zinc/28/08/87/548280887.db2.gz BJHYWHVEYDSBJG-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672203751 548280890 /nfs/dbraw/zinc/28/08/90/548280890.db2.gz BJHYWHVEYDSBJG-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000672516874 548340430 /nfs/dbraw/zinc/34/04/30/548340430.db2.gz KKFKMZXUWWNMFY-VGWMRTNUSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCN1C ZINC000672593745 548357144 /nfs/dbraw/zinc/35/71/44/548357144.db2.gz PAYRWBQDMHZNDW-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000672698057 548374376 /nfs/dbraw/zinc/37/43/76/548374376.db2.gz ISEZKXDMKZHZLY-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000672698057 548374378 /nfs/dbraw/zinc/37/43/78/548374378.db2.gz ISEZKXDMKZHZLY-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000674348278 548618277 /nfs/dbraw/zinc/61/82/77/548618277.db2.gz ZHPLWVDCKCJKMM-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C(=O)[C@H]1CN2CCN1CCC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000677911837 548972986 /nfs/dbraw/zinc/97/29/86/548972986.db2.gz IGQUFMANPSLTTD-QZTJIDSGSA-N 1 3 349.523 0.003 20 0 ECADHO CN(C(=O)[C@H]1CN2CCN1CCC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000677911837 548972989 /nfs/dbraw/zinc/97/29/89/548972989.db2.gz IGQUFMANPSLTTD-QZTJIDSGSA-N 1 3 349.523 0.003 20 0 ECADHO CN(CC(=O)NCCCN1CCC[N@H+](C)CC1)[C@@H]1CCSC1 ZINC000678046883 548991722 /nfs/dbraw/zinc/99/17/22/548991722.db2.gz YQBCNGLMCQINRZ-OAHLLOKOSA-N 1 3 328.526 0.568 20 0 ECADHO CN(CC(=O)NCCCN1CCC[N@@H+](C)CC1)[C@@H]1CCSC1 ZINC000678046883 548991726 /nfs/dbraw/zinc/99/17/26/548991726.db2.gz YQBCNGLMCQINRZ-OAHLLOKOSA-N 1 3 328.526 0.568 20 0 ECADHO CN(CC(=O)NCCC[N@@H+]1CCCN(C)CC1)[C@@H]1CCSC1 ZINC000678046883 548991730 /nfs/dbraw/zinc/99/17/30/548991730.db2.gz YQBCNGLMCQINRZ-OAHLLOKOSA-N 1 3 328.526 0.568 20 0 ECADHO CN(CC(=O)NCCC[N@H+]1CCCN(C)CC1)[C@@H]1CCSC1 ZINC000678046883 548991734 /nfs/dbraw/zinc/99/17/34/548991734.db2.gz YQBCNGLMCQINRZ-OAHLLOKOSA-N 1 3 328.526 0.568 20 0 ECADHO c1ncn([C@@H]2CCN(CCCC[N@@H+]3CC[C@H](n4cncn4)C3)C2)n1 ZINC000681604750 549279373 /nfs/dbraw/zinc/27/93/73/549279373.db2.gz HUVKJLZJJIYYLO-IYBDPMFKSA-N 1 3 330.440 0.844 20 0 ECADHO c1ncn([C@@H]2CCN(CCCC[N@H+]3CC[C@H](n4cncn4)C3)C2)n1 ZINC000681604750 549279377 /nfs/dbraw/zinc/27/93/77/549279377.db2.gz HUVKJLZJJIYYLO-IYBDPMFKSA-N 1 3 330.440 0.844 20 0 ECADHO c1ncn([C@@H]2CC[N@@H+](CCCCN3CC[C@H](n4cncn4)C3)C2)n1 ZINC000681604750 549279382 /nfs/dbraw/zinc/27/93/82/549279382.db2.gz HUVKJLZJJIYYLO-IYBDPMFKSA-N 1 3 330.440 0.844 20 0 ECADHO c1ncn([C@@H]2CC[N@H+](CCCCN3CC[C@H](n4cncn4)C3)C2)n1 ZINC000681604750 549279387 /nfs/dbraw/zinc/27/93/87/549279387.db2.gz HUVKJLZJJIYYLO-IYBDPMFKSA-N 1 3 330.440 0.844 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H]([NH+]3CCCCC3)C1)C2=O ZINC000730804829 578309061 /nfs/dbraw/zinc/30/90/61/578309061.db2.gz LDCJPCJJGGOLDJ-HNNXBMFYSA-N 1 3 349.479 0.520 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)N1CCCCC1 ZINC000786081315 578780315 /nfs/dbraw/zinc/78/03/15/578780315.db2.gz JFRCJJXJBFWMER-CQSZACIVSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000793697807 578935415 /nfs/dbraw/zinc/93/54/15/578935415.db2.gz HVFHBVZTSWTTMJ-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000793697807 578935416 /nfs/dbraw/zinc/93/54/16/578935416.db2.gz HVFHBVZTSWTTMJ-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793703744 578936091 /nfs/dbraw/zinc/93/60/91/578936091.db2.gz XBRFBBCCOYUVQP-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793705594 578936313 /nfs/dbraw/zinc/93/63/13/578936313.db2.gz AGCUHBPQYFLCGT-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793715092 578937164 /nfs/dbraw/zinc/93/71/64/578937164.db2.gz WMZDZZMHZJGQDV-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](C)CCN1CCN(C)CC1 ZINC000769759100 579151214 /nfs/dbraw/zinc/15/12/14/579151214.db2.gz DWAKMLBIWOBBRS-HZPDHXFCSA-N 1 3 341.569 0.961 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@H](C)CCN1CCN(C)CC1 ZINC000769759100 579151215 /nfs/dbraw/zinc/15/12/15/579151215.db2.gz DWAKMLBIWOBBRS-HZPDHXFCSA-N 1 3 341.569 0.961 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OCC(N)=O)cc2)CC1 ZINC000760705081 579514617 /nfs/dbraw/zinc/51/46/17/579514617.db2.gz ZXKZFJGBJFGINI-UHFFFAOYSA-N 1 3 335.448 0.876 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000747556855 579853133 /nfs/dbraw/zinc/85/31/33/579853133.db2.gz LFGQTNXVDASIAZ-CABCVRRESA-N 1 3 336.440 0.429 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000841161090 588980166 /nfs/dbraw/zinc/98/01/66/588980166.db2.gz JFFYNPXZROHQEX-AWEZNQCLSA-N 1 3 345.447 0.327 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000842016795 589008621 /nfs/dbraw/zinc/00/86/21/589008621.db2.gz YKXDQHZERBMSNX-HZSPNIEDSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1CCCCC1 ZINC000842015123 589008237 /nfs/dbraw/zinc/00/82/37/589008237.db2.gz GVZNNZVLISSUKE-QXSJWSMHSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1CCCCC1 ZINC000842015122 589008307 /nfs/dbraw/zinc/00/83/07/589008307.db2.gz GVZNNZVLISSUKE-QKPAOTATSA-N 1 3 336.480 0.563 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842098112 589011943 /nfs/dbraw/zinc/01/19/43/589011943.db2.gz RESFXLGPJRPMAN-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000842259631 589025103 /nfs/dbraw/zinc/02/51/03/589025103.db2.gz WJIFXILPWPBLER-UHFFFAOYSA-N 1 3 334.464 0.473 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000891577384 586178987 /nfs/dbraw/zinc/17/89/87/586178987.db2.gz RFVJUPXHYBGOLV-INIZCTEOSA-N 1 3 332.448 0.852 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(N2CCCC2=O)C1 ZINC000895665458 586197356 /nfs/dbraw/zinc/19/73/56/586197356.db2.gz CXHVHFMXSGOSBM-AWEZNQCLSA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(N2CCCC2=O)C1 ZINC000895665458 586197358 /nfs/dbraw/zinc/19/73/58/586197358.db2.gz CXHVHFMXSGOSBM-AWEZNQCLSA-N 1 3 339.484 0.275 20 0 ECADHO CC[NH2+]CCCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000891965793 586209711 /nfs/dbraw/zinc/20/97/11/586209711.db2.gz HMXCCHLGIXGTBT-UHFFFAOYSA-N 1 3 339.484 0.501 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3CC[NH2+]CC3)C2)cc1 ZINC000891972166 586210490 /nfs/dbraw/zinc/21/04/90/586210490.db2.gz ALESVXLSZADQGK-GOSISDBHSA-N 1 3 345.491 0.774 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892041372 586217858 /nfs/dbraw/zinc/21/78/58/586217858.db2.gz STPQDPGAPPCBQI-HNNXBMFYSA-N 1 3 325.501 0.925 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000892076203 586220269 /nfs/dbraw/zinc/22/02/69/586220269.db2.gz UBDVZIDZRGWASS-GOEBONIOSA-N 1 3 326.485 0.984 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000892167211 586225857 /nfs/dbraw/zinc/22/58/57/586225857.db2.gz CWACKTFPZLRAMV-INIZCTEOSA-N 1 3 342.484 0.365 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000892378692 586260599 /nfs/dbraw/zinc/26/05/99/586260599.db2.gz UUUZWRILDUUPTO-KBPBESRZSA-N 1 3 326.485 0.909 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)NC[C@@H]2CCCN2CCCO)[NH2+]C1 ZINC000892383849 586261646 /nfs/dbraw/zinc/26/16/46/586261646.db2.gz NDUJLBFFRVENHL-CABCVRRESA-N 1 3 326.485 0.911 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000892641908 586278348 /nfs/dbraw/zinc/27/83/48/586278348.db2.gz ZKRGOHQMYXKROK-IRXDYDNUSA-N 1 3 338.496 0.959 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000892641909 586279069 /nfs/dbraw/zinc/27/90/69/586279069.db2.gz ZKRGOHQMYXKROK-SJORKVTESA-N 1 3 338.496 0.959 20 0 ECADHO CC[N@H+](CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C(C)C ZINC000892669890 586281280 /nfs/dbraw/zinc/28/12/80/586281280.db2.gz MQMKDNPAFMOTLJ-CVEARBPZSA-N 1 3 326.485 0.957 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C(C)C ZINC000892669890 586281283 /nfs/dbraw/zinc/28/12/83/586281283.db2.gz MQMKDNPAFMOTLJ-CVEARBPZSA-N 1 3 326.485 0.957 20 0 ECADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H](N2CC=CC2)C1 ZINC000892780698 586290020 /nfs/dbraw/zinc/29/00/20/586290020.db2.gz UDTVDIIIMLBNAI-HZPDHXFCSA-N 1 3 334.464 0.801 20 0 ECADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H](N2CC=CC2)C1 ZINC000892780696 586290222 /nfs/dbraw/zinc/29/02/22/586290222.db2.gz UDTVDIIIMLBNAI-CVEARBPZSA-N 1 3 334.464 0.801 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000897560185 586344762 /nfs/dbraw/zinc/34/47/62/586344762.db2.gz JNZATLMMGDVOKL-CABCVRRESA-N 1 3 347.463 0.575 20 0 ECADHO COC(=O)[C@@H]1[C@H](CN(C)CCN(C)C2CC[NH+](C)CC2)C1(F)F ZINC000894766795 586410710 /nfs/dbraw/zinc/41/07/10/586410710.db2.gz SDGOOBCQTOZTPT-KBPBESRZSA-N 1 3 333.423 0.999 20 0 ECADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C2CN(C3CCOCC3)C2)CCO1 ZINC000898990725 586460823 /nfs/dbraw/zinc/46/08/23/586460823.db2.gz MGKDBQSSRHGXLI-QGZVFWFLSA-N 1 3 339.480 0.666 20 0 ECADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000900446611 586631770 /nfs/dbraw/zinc/63/17/70/586631770.db2.gz QAHGTLAIUDBDTF-WMZOPIPTSA-N 1 3 338.496 0.116 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCN(CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903447078 586776583 /nfs/dbraw/zinc/77/65/83/586776583.db2.gz CUCVWXZLVZFEFX-ZIAGYGMSSA-N 1 3 331.416 0.968 20 0 ECADHO [NH3+][C@@H]1CC[C@H](CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000903454957 586776879 /nfs/dbraw/zinc/77/68/79/586776879.db2.gz OWOIJJAFGZWNCO-RRFJBIMHSA-N 1 3 331.482 0.240 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc3oc(=O)n(C)c3c1)C2 ZINC000903494929 586780089 /nfs/dbraw/zinc/78/00/89/586780089.db2.gz RBRVYTTUXRQRIJ-JCGVRSQUSA-N 1 3 345.399 0.844 20 0 ECADHO CCCCn1nnnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510844 586780884 /nfs/dbraw/zinc/78/08/84/586780884.db2.gz MDNYDDFQAZQZLK-IYBDPMFKSA-N 1 3 333.484 0.874 20 0 ECADHO CCCCn1nnnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510844 586780886 /nfs/dbraw/zinc/78/08/86/586780886.db2.gz MDNYDDFQAZQZLK-IYBDPMFKSA-N 1 3 333.484 0.874 20 0 ECADHO CS(=O)(=O)NCC[C@@H]1CCCCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725456 586802112 /nfs/dbraw/zinc/80/21/12/586802112.db2.gz ZVVBAKUYQGPWJH-XHSDSOJGSA-N 1 3 345.509 0.549 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C[C@@H]1[NH3+] ZINC000903728544 586803018 /nfs/dbraw/zinc/80/30/18/586803018.db2.gz QSRWEWHJEKYFMH-GJZGRUSLSA-N 1 3 336.480 0.659 20 0 ECADHO COC(=O)c1cn([C@@H]2CCCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC000903757691 586812339 /nfs/dbraw/zinc/81/23/39/586812339.db2.gz FNUBCVLMURHWNJ-CKEIUWERSA-N 1 3 349.435 0.470 20 0 ECADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790434 586813007 /nfs/dbraw/zinc/81/30/07/586813007.db2.gz IPUSCNKCYOUHOD-CYBMUJFWSA-N 1 3 338.496 0.796 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCNC[C@H]2c2cccnc2)cnn1C ZINC000903906067 586825181 /nfs/dbraw/zinc/82/51/81/586825181.db2.gz RIPFKQNEEHUQOM-YJBOKZPZSA-N 1 3 328.464 0.887 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCC3(CCN(C)C3=O)CC2)cnn1C ZINC000903910799 586825626 /nfs/dbraw/zinc/82/56/26/586825626.db2.gz RDHKFANMYASTHP-OAHLLOKOSA-N 1 3 333.480 0.790 20 0 ECADHO C[C@@]1(C2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)COC(=O)N1 ZINC000903986451 586829573 /nfs/dbraw/zinc/82/95/73/586829573.db2.gz JXDHMKNSAJJBJW-GUYCJALGSA-N 1 3 338.452 0.394 20 0 ECADHO c1cc(N2CCNCC2)oc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000904388992 586836824 /nfs/dbraw/zinc/83/68/24/586836824.db2.gz QXYVDBYSAZMQOF-OAHLLOKOSA-N 1 3 334.464 0.938 20 0 ECADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32CN)CC1 ZINC000905005497 586858116 /nfs/dbraw/zinc/85/81/16/586858116.db2.gz FEFASFCHPFQHSN-YJBOKZPZSA-N 1 3 336.480 0.517 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CCN(c3ccncc3)CC1)C2 ZINC000904994195 586863800 /nfs/dbraw/zinc/86/38/00/586863800.db2.gz KIXIUAGCKPUUHX-LZWOXQAQSA-N 1 3 343.431 0.068 20 0 ECADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)CC3(O)CCCC3)C2)CC1 ZINC000905110517 586871164 /nfs/dbraw/zinc/87/11/64/586871164.db2.gz QRUIRVMKCSAMMV-RDJZCZTQSA-N 1 3 325.497 0.801 20 0 ECADHO COC(=O)C[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000839552519 586877972 /nfs/dbraw/zinc/87/79/72/586877972.db2.gz QKYZJWJUISKGGO-HNNXBMFYSA-N 1 3 325.453 0.907 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)C2CN(C)CC[N@H+](C)C2)C[C@H](C)O1 ZINC000905669385 586908467 /nfs/dbraw/zinc/90/84/67/586908467.db2.gz XGYDUVDJFWAVST-GASCZTMLSA-N 1 3 326.485 0.095 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000905669385 586908468 /nfs/dbraw/zinc/90/84/68/586908468.db2.gz XGYDUVDJFWAVST-GASCZTMLSA-N 1 3 326.485 0.095 20 0 ECADHO COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC000906123167 586933840 /nfs/dbraw/zinc/93/38/40/586933840.db2.gz KDBRUTUNPJTYMK-DOTOQJQBSA-N 1 3 327.469 0.665 20 0 ECADHO CN1C(=O)CCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000906465940 586949841 /nfs/dbraw/zinc/94/98/41/586949841.db2.gz NHZZTNBLOGXUDB-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000818638019 587442138 /nfs/dbraw/zinc/44/21/38/587442138.db2.gz OJUCADFQXYOJMW-HOTGVXAUSA-N 1 3 346.431 0.372 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844186148 589100774 /nfs/dbraw/zinc/10/07/74/589100774.db2.gz URRVHOOOKRLALS-OAHLLOKOSA-N 1 3 327.469 0.761 20 0 ECADHO COC(=O)C1=NOC2(C1)CC[NH+](C[C@H](O)CN(C)C(C)C)CC2 ZINC000821402366 587591572 /nfs/dbraw/zinc/59/15/72/587591572.db2.gz RBNAQWVQPIMHFD-CYBMUJFWSA-N 1 3 327.425 0.471 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)CC[C@@H]21 ZINC000867441856 587927944 /nfs/dbraw/zinc/92/79/44/587927944.db2.gz KNCCJWXMXFRTIO-ZACQAIPSSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)CC[C@@H]21 ZINC000867441856 587927946 /nfs/dbraw/zinc/92/79/46/587927946.db2.gz KNCCJWXMXFRTIO-ZACQAIPSSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000825702234 587956931 /nfs/dbraw/zinc/95/69/31/587956931.db2.gz QCLPFGFZRJUUOM-HUUCEWRRSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000825702234 587956933 /nfs/dbraw/zinc/95/69/33/587956933.db2.gz QCLPFGFZRJUUOM-HUUCEWRRSA-N 1 3 339.484 0.480 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000828457546 588180187 /nfs/dbraw/zinc/18/01/87/588180187.db2.gz USFJRUVYTPRBIJ-MRXNPFEDSA-N 1 3 332.448 0.722 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN(C)C2CCC([NH3+])CC2)C1 ZINC000844220361 589103577 /nfs/dbraw/zinc/10/35/77/589103577.db2.gz DPYNICMJVDVAFX-OFLPRAFFSA-N 1 3 340.512 0.661 20 0 ECADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(=O)NC)c1 ZINC000849053125 589318854 /nfs/dbraw/zinc/31/88/54/589318854.db2.gz ZZISXZVXBCWENH-OAHLLOKOSA-N 1 3 347.463 0.910 20 0 ECADHO CC(C)CCNC(=[NH2+])NCC1(N2CCOCC2)CCN(C)CC1 ZINC000849115697 589320697 /nfs/dbraw/zinc/32/06/97/589320697.db2.gz FABFSTXQUJAFFE-UHFFFAOYSA-N 1 3 325.501 0.943 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000852748447 589510375 /nfs/dbraw/zinc/51/03/75/589510375.db2.gz VXVUHJCTLBPCBX-CABCVRRESA-N 1 3 340.468 0.736 20 0 ECADHO NC[C@H]1CC(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)=NO1 ZINC000852864120 589519444 /nfs/dbraw/zinc/51/94/44/589519444.db2.gz WYISXNRNNNDXAX-HZPDHXFCSA-N 1 3 330.432 0.771 20 0 ECADHO NC[C@H]1CC(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)=NO1 ZINC000852864120 589519445 /nfs/dbraw/zinc/51/94/45/589519445.db2.gz WYISXNRNNNDXAX-HZPDHXFCSA-N 1 3 330.432 0.771 20 0 ECADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852930862 589527233 /nfs/dbraw/zinc/52/72/33/589527233.db2.gz OPHGUYWPJDJJOX-UONOGXRCSA-N 1 3 346.479 0.666 20 0 ECADHO CN1CCC(NC(=S)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000853051344 589530399 /nfs/dbraw/zinc/53/03/99/589530399.db2.gz CFHUOYMCRWXITC-HNNXBMFYSA-N 1 3 328.526 0.998 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCOC2CCOCC2)C1 ZINC000866712244 589762111 /nfs/dbraw/zinc/76/21/11/589762111.db2.gz RVNYHYILWHLXAE-AEGPPILISA-N 1 3 325.409 0.049 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868218467 589881354 /nfs/dbraw/zinc/88/13/54/589881354.db2.gz GIKDVYOOHPWKNJ-UHFFFAOYSA-N 1 3 325.501 0.748 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868218467 589881355 /nfs/dbraw/zinc/88/13/55/589881355.db2.gz GIKDVYOOHPWKNJ-UHFFFAOYSA-N 1 3 325.501 0.748 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868231164 589882811 /nfs/dbraw/zinc/88/28/11/589882811.db2.gz AEHBFGQTQMKSEL-OWCLPIDISA-N 1 3 330.432 0.992 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N1CCCCC1 ZINC000861729177 589882915 /nfs/dbraw/zinc/88/29/15/589882915.db2.gz PRNNIDFEIQMPLQ-JCGIZDLHSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000861765130 589889564 /nfs/dbraw/zinc/88/95/64/589889564.db2.gz LTDSTAFFFFYVIQ-ZMSDIMECSA-N 1 3 346.475 0.961 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000861772710 589890667 /nfs/dbraw/zinc/89/06/67/589890667.db2.gz YPCSKLDVGFOLIW-RHSMWYFYSA-N 1 3 346.475 0.819 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)CC[C@@H]21 ZINC000868310192 589891760 /nfs/dbraw/zinc/89/17/60/589891760.db2.gz RYJRUHOQDNIRAR-YOEHRIQHSA-N 1 3 342.443 0.823 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)CC[C@@H]21 ZINC000868310192 589891762 /nfs/dbraw/zinc/89/17/62/589891762.db2.gz RYJRUHOQDNIRAR-YOEHRIQHSA-N 1 3 342.443 0.823 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CCN(c2ccncc2)CC1 ZINC000868418148 589904330 /nfs/dbraw/zinc/90/43/30/589904330.db2.gz JFYNQCLLQLJKKP-JKSUJKDBSA-N 1 3 343.431 0.083 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000868519678 589912021 /nfs/dbraw/zinc/91/20/21/589912021.db2.gz DYFLHQFZBKXFIN-RDBSUJKOSA-N 1 3 340.468 0.604 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000868519678 589912023 /nfs/dbraw/zinc/91/20/23/589912023.db2.gz DYFLHQFZBKXFIN-RDBSUJKOSA-N 1 3 340.468 0.604 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(F)C(=O)N(C)C[C@@H]1CCCN1C ZINC000868928587 589936103 /nfs/dbraw/zinc/93/61/03/589936103.db2.gz ZVZWPWZBTLFCMJ-KBPBESRZSA-N 1 3 342.459 0.430 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(F)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000868928587 589936105 /nfs/dbraw/zinc/93/61/05/589936105.db2.gz ZVZWPWZBTLFCMJ-KBPBESRZSA-N 1 3 342.459 0.430 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(F)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000868928587 589936108 /nfs/dbraw/zinc/93/61/08/589936108.db2.gz ZVZWPWZBTLFCMJ-KBPBESRZSA-N 1 3 342.459 0.430 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000868928298 589936182 /nfs/dbraw/zinc/93/61/82/589936182.db2.gz ZEGLVGBXQDSZAP-KBPBESRZSA-N 1 3 342.484 0.994 20 0 ECADHO C[C@@H](CCNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000869242799 589955746 /nfs/dbraw/zinc/95/57/46/589955746.db2.gz NXBGIHXIKVMEHB-STQMWFEESA-N 1 3 330.473 0.898 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1)C2 ZINC000872187867 590100563 /nfs/dbraw/zinc/10/05/63/590100563.db2.gz KUDSVZWRKOFIQR-TXPKVOOTSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(CC)CC ZINC000872303243 590112290 /nfs/dbraw/zinc/11/22/90/590112290.db2.gz DWVQFYXFOBNWIQ-YJNKXOJESA-N 1 3 338.452 0.500 20 0 ECADHO C[C@@]12CN(c3nc(N)nc(N)n3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000872742276 590146156 /nfs/dbraw/zinc/14/61/56/590146156.db2.gz VXXVWUNXLOKEOG-SUMWQHHRSA-N 1 3 325.420 0.994 20 0 ECADHO C[C@@]12CN(c3nc(N)nc(N)n3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000872742276 590146157 /nfs/dbraw/zinc/14/61/57/590146157.db2.gz VXXVWUNXLOKEOG-SUMWQHHRSA-N 1 3 325.420 0.994 20 0 ECADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000873111227 590184154 /nfs/dbraw/zinc/18/41/54/590184154.db2.gz IMKGFAIGYHAOJY-CVEARBPZSA-N 1 3 328.416 0.923 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(OC[C@H]3CCCO3)CC2)C1 ZINC000873219485 590186905 /nfs/dbraw/zinc/18/69/05/590186905.db2.gz INTGLICBQMDJHD-DOTOQJQBSA-N 1 3 339.480 0.844 20 0 ECADHO COCC[N@H+](C)C[C@@H](O)CN1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879522952 590317091 /nfs/dbraw/zinc/31/70/91/590317091.db2.gz PVTNFXWYFOJTOC-SJLPKXTDSA-N 1 3 337.464 0.581 20 0 ECADHO COCC[N@@H+](C)C[C@@H](O)CN1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879522952 590317094 /nfs/dbraw/zinc/31/70/94/590317094.db2.gz PVTNFXWYFOJTOC-SJLPKXTDSA-N 1 3 337.464 0.581 20 0 ECADHO C[C@H]1CN(CC(=O)NC2CCN(C)CC2)CCN1c1cc[nH+]cc1 ZINC000880258137 590379273 /nfs/dbraw/zinc/37/92/73/590379273.db2.gz CULBMTLDLNBORJ-HNNXBMFYSA-N 1 3 331.464 0.803 20 0 ECADHO COCCN(C)CCCNC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876728726 590405028 /nfs/dbraw/zinc/40/50/28/590405028.db2.gz UEYVEWKQQWESBO-HNNXBMFYSA-N 1 3 337.468 0.814 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cn1 ZINC000876770989 590412723 /nfs/dbraw/zinc/41/27/23/590412723.db2.gz LQIDTARSPUMGDD-GJBLVYBDSA-N 1 3 348.451 0.055 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876781174 590414558 /nfs/dbraw/zinc/41/45/58/590414558.db2.gz DMGXVEWQKDPJGO-WBVHZDCISA-N 1 3 349.454 0.658 20 0 ECADHO Cc1cccc(N2CCN(CCCNC(=O)[C@@H](N)C[NH+](C)C)CC2)c1 ZINC000876781747 590414600 /nfs/dbraw/zinc/41/46/00/590414600.db2.gz JHQLNRNLTHBGET-SFHVURJKSA-N 1 3 347.507 0.512 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876866804 590420380 /nfs/dbraw/zinc/42/03/80/590420380.db2.gz XQUJLVMAVFMUIO-KGLIPLIRSA-N 1 3 326.391 0.559 20 0 ECADHO C[NH+]1CCC(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000877207478 590445027 /nfs/dbraw/zinc/44/50/27/590445027.db2.gz YDHFVSAACXXGBT-UHFFFAOYSA-N 1 3 328.420 0.684 20 0 ECADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206853 590445072 /nfs/dbraw/zinc/44/50/72/590445072.db2.gz NFXOYUGYJRSHIL-JKSUJKDBSA-N 1 3 328.420 0.730 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206850 590445325 /nfs/dbraw/zinc/44/53/25/590445325.db2.gz NFXOYUGYJRSHIL-CVEARBPZSA-N 1 3 328.420 0.730 20 0 ECADHO CC(C)[C@@H](C(=O)NCc1cccc(-n2cc(CN)nn2)c1)[NH+](C)C ZINC000877207375 590445343 /nfs/dbraw/zinc/44/53/43/590445343.db2.gz UQRYMZOUVZBNOD-INIZCTEOSA-N 1 3 330.436 0.928 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)ccc2[nH]c1=O ZINC000877244812 590448636 /nfs/dbraw/zinc/44/86/36/590448636.db2.gz QEEPREPIYUYICR-AULYBMBSSA-N 1 3 331.420 0.771 20 0 ECADHO COC[C@@]1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCCN1 ZINC000877326787 590457195 /nfs/dbraw/zinc/45/71/95/590457195.db2.gz GHYZRUZYYPVOMF-WMLDXEAASA-N 1 3 325.453 0.420 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000877362257 590460730 /nfs/dbraw/zinc/46/07/30/590460730.db2.gz ZPQSNBIVNVWUNU-OLZOCXBDSA-N 1 3 336.402 0.610 20 0 ECADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)CS(N)(=O)=O ZINC000877735525 590479953 /nfs/dbraw/zinc/47/99/53/590479953.db2.gz WDPDXVUCPAEFLR-UHFFFAOYSA-N 1 3 326.466 0.955 20 0 ECADHO CN(C(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1(C[NH3+])CCCCC1 ZINC000883653050 590643049 /nfs/dbraw/zinc/64/30/49/590643049.db2.gz KNJNSLVGOGGDJE-HNNXBMFYSA-N 1 3 336.480 0.803 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884893368 590643495 /nfs/dbraw/zinc/64/34/95/590643495.db2.gz GKRCLDXBRIUFPA-DLBZAZTESA-N 1 3 346.475 0.615 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884893373 590643680 /nfs/dbraw/zinc/64/36/80/590643680.db2.gz GKRCLDXBRIUFPA-SJORKVTESA-N 1 3 346.475 0.615 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCNCCC12CCC2 ZINC000883659029 590646531 /nfs/dbraw/zinc/64/65/31/590646531.db2.gz VJOPTDBIYQJGNS-UHFFFAOYSA-N 1 3 336.480 0.675 20 0 ECADHO C[C@@H](CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[NH+](C)C ZINC000883679594 590650072 /nfs/dbraw/zinc/65/00/72/590650072.db2.gz NNZPVNYKEHDJBT-AWEZNQCLSA-N 1 3 339.484 0.452 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966431 590656968 /nfs/dbraw/zinc/65/69/68/590656968.db2.gz KTNOTRALAFULID-ILXRZTDVSA-N 1 3 338.496 0.679 20 0 ECADHO O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@H](N2CCCC2)C1 ZINC000884208719 590775566 /nfs/dbraw/zinc/77/55/66/590775566.db2.gz IQFJOTLWPYTBBC-INIZCTEOSA-N 1 3 329.448 0.802 20 0 ECADHO COCC[C@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000884233898 590785114 /nfs/dbraw/zinc/78/51/14/590785114.db2.gz CAHYNDROWXLIQQ-ROUUACIJSA-N 1 3 348.491 0.845 20 0 ECADHO C[C@@H]1C[C@@H](C)N(C(=O)c2ccnc(N3CCNCC3)c2)C[C@@H]1C[NH3+] ZINC000884347397 590811789 /nfs/dbraw/zinc/81/17/89/590811789.db2.gz RXEAGQAJTNDZMJ-FMKPAKJESA-N 1 3 331.464 0.937 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884545233 590853044 /nfs/dbraw/zinc/85/30/44/590853044.db2.gz BOCRGHPHLVOKGP-AWEZNQCLSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)C1=CCN(C)CC1 ZINC000884623999 590875821 /nfs/dbraw/zinc/87/58/21/590875821.db2.gz VEEZQGAIXSCZRT-HNAYVOBHSA-N 1 3 348.491 0.745 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000884625341 590875954 /nfs/dbraw/zinc/87/59/54/590875954.db2.gz HNPKIRIETGIWNX-IRXDYDNUSA-N 1 3 344.459 0.717 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884650604 590883318 /nfs/dbraw/zinc/88/33/18/590883318.db2.gz PPFKXDFNSJHQDU-WDEREUQCSA-N 1 3 338.374 0.040 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCN1c1ccncc1 ZINC000884685283 590893505 /nfs/dbraw/zinc/89/35/05/590893505.db2.gz CNVZRBIVUTWQIV-RBSFLKMASA-N 1 3 345.447 0.505 20 0 ECADHO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000886891707 590902742 /nfs/dbraw/zinc/90/27/42/590902742.db2.gz DMPGMEKFNURCJE-AWEZNQCLSA-N 1 3 343.497 0.434 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884712279 590905238 /nfs/dbraw/zinc/90/52/38/590905238.db2.gz NCYGWFHCPMTWKX-CQSZACIVSA-N 1 3 347.463 0.752 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000884715388 590906487 /nfs/dbraw/zinc/90/64/87/590906487.db2.gz RQMXQYUDGXMJRU-ZDUSSCGKSA-N 1 3 331.420 0.116 20 0 ECADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000884776897 590919806 /nfs/dbraw/zinc/91/98/06/590919806.db2.gz ZTANIHRTUABBOL-BZUAXINKSA-N 1 3 336.480 0.849 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884776625 590919964 /nfs/dbraw/zinc/91/99/64/590919964.db2.gz WPZFKENXROURJK-JJXSEGSLSA-N 1 3 334.464 0.472 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000884782085 590921792 /nfs/dbraw/zinc/92/17/92/590921792.db2.gz ACHMVIUYKZPLQR-KFWWJZLASA-N 1 3 336.480 0.563 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884841743 590933540 /nfs/dbraw/zinc/93/35/40/590933540.db2.gz ZXOIJRZMLAONLW-INIZCTEOSA-N 1 3 344.459 0.549 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC000887091709 590942947 /nfs/dbraw/zinc/94/29/47/590942947.db2.gz UIZSSPUEFIBYEK-GJZGRUSLSA-N 1 3 345.447 0.187 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]3C(=O)OC)CC2)CC1 ZINC000888069067 591034614 /nfs/dbraw/zinc/03/46/14/591034614.db2.gz XMLLYUNVOPZFOW-MRXNPFEDSA-N 1 3 337.464 0.957 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000923693725 611371113 /nfs/dbraw/zinc/37/11/13/611371113.db2.gz DWOXXCCFCIDSGX-HNNXBMFYSA-N 1 3 327.450 0.223 20 0 ECADHO COCCOCCOCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000930137341 611393540 /nfs/dbraw/zinc/39/35/40/611393540.db2.gz RVFMEPVZFMGBHX-MSOLQXFVSA-N 1 3 343.512 0.624 20 0 ECADHO COCCOCCOCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000930137341 611393542 /nfs/dbraw/zinc/39/35/42/611393542.db2.gz RVFMEPVZFMGBHX-MSOLQXFVSA-N 1 3 343.512 0.624 20 0 ECADHO COCCOCCOCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000930137341 611393544 /nfs/dbraw/zinc/39/35/44/611393544.db2.gz RVFMEPVZFMGBHX-MSOLQXFVSA-N 1 3 343.512 0.624 20 0 ECADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924855105 611435790 /nfs/dbraw/zinc/43/57/90/611435790.db2.gz VINBUMQFPFTDJD-STQMWFEESA-N 1 3 341.477 0.936 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)C[C@]2(C)C1 ZINC000930958326 611488885 /nfs/dbraw/zinc/48/88/85/611488885.db2.gz VBXGCJZLPYWNRR-DRMAHVMPSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)C[C@]2(C)C1 ZINC000930958326 611488887 /nfs/dbraw/zinc/48/88/87/611488887.db2.gz VBXGCJZLPYWNRR-DRMAHVMPSA-N 1 3 348.491 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000931019495 611498549 /nfs/dbraw/zinc/49/85/49/611498549.db2.gz LDVJNSIYGZQTPM-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCC1(S(=O)(=O)N(C)C)CC1 ZINC000925773930 611499499 /nfs/dbraw/zinc/49/94/99/611499499.db2.gz IEXLJNPYPZRZDN-LLVKDONJSA-N 1 3 326.466 0.923 20 0 ECADHO Cn1ccnc(N2CCC[C@@H]([NH2+]C3[C@@H]4CC[C@H]3CN(C)C4)C2)c1=O ZINC000926322587 611534724 /nfs/dbraw/zinc/53/47/24/611534724.db2.gz VXEYOYFAFKXXJF-IUOOZAAYSA-N 1 3 331.464 0.679 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@@H]1C[NH3+] ZINC000926325091 611535311 /nfs/dbraw/zinc/53/53/11/611535311.db2.gz YVRBLIBPCMENSO-HUUCEWRRSA-N 1 3 338.496 0.763 20 0 ECADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)[C@@H]2C1 ZINC000927634915 611621919 /nfs/dbraw/zinc/62/19/19/611621919.db2.gz ASNOVKPMDLQCIN-BHYGNILZSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)[C@@H]2C1 ZINC000927634915 611621920 /nfs/dbraw/zinc/62/19/20/611621920.db2.gz ASNOVKPMDLQCIN-BHYGNILZSA-N 1 3 336.480 0.975 20 0 ECADHO NC(=O)[C@](O)(C[NH+]1CCC(N2CCCOCC2)CC1)c1ccccc1 ZINC000931284915 608606687 /nfs/dbraw/zinc/60/66/87/608606687.db2.gz DRCLPYURFKQNGJ-IBGZPJMESA-N 1 3 347.459 0.546 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000936915444 608732786 /nfs/dbraw/zinc/73/27/86/608732786.db2.gz ZDHUPSUKYMYPDQ-HZPDHXFCSA-N 1 3 348.491 0.768 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000937949381 609415518 /nfs/dbraw/zinc/41/55/18/609415518.db2.gz SOMMOEZHRMCEBW-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000937949381 609415521 /nfs/dbraw/zinc/41/55/21/609415521.db2.gz SOMMOEZHRMCEBW-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908203697 609647454 /nfs/dbraw/zinc/64/74/54/609647454.db2.gz NJSKEJSZQHIYOR-MRXNPFEDSA-N 1 3 339.480 0.594 20 0 ECADHO O=C(CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)NCCN1CCCCC1 ZINC000909312631 609693921 /nfs/dbraw/zinc/69/39/21/609693921.db2.gz LCRMTHZYLPLHOP-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO O=C(CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)NCCN1CCCCC1 ZINC000909312631 609693922 /nfs/dbraw/zinc/69/39/22/609693922.db2.gz LCRMTHZYLPLHOP-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C[NH+](C)C ZINC000929404710 609739557 /nfs/dbraw/zinc/73/95/57/609739557.db2.gz RCUQJLDVNZSCLZ-GJZGRUSLSA-N 1 3 342.484 0.060 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1cccnc1 ZINC000928833697 611715176 /nfs/dbraw/zinc/71/51/76/611715176.db2.gz FLRZHVTTZDOKLS-DLBZAZTESA-N 1 3 331.464 0.581 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCCC1 ZINC000910953127 609781988 /nfs/dbraw/zinc/78/19/88/609781988.db2.gz QCPSXMJDIYHVDP-HZPDHXFCSA-N 1 3 344.459 0.718 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)Cc1ccccc1 ZINC000910961193 609783312 /nfs/dbraw/zinc/78/33/12/609783312.db2.gz BCJVDGAGGQLNQQ-HZPDHXFCSA-N 1 3 346.475 0.471 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000910972081 609786063 /nfs/dbraw/zinc/78/60/63/609786063.db2.gz PDUMKUPAQIPQKG-JKSUJKDBSA-N 1 3 346.475 0.390 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000910973559 609786523 /nfs/dbraw/zinc/78/65/23/609786523.db2.gz VMQCDTVDSGIVBF-MWDXBVQZSA-N 1 3 344.459 0.285 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911029758 609796330 /nfs/dbraw/zinc/79/63/30/609796330.db2.gz PFTZURAMBNIKSI-WCVJEAGWSA-N 1 3 338.496 0.666 20 0 ECADHO CC(CC(=O)NC12CCN(CC1)C2)CC(=O)NC12CC[NH+](CC1)C2 ZINC000913633792 609806395 /nfs/dbraw/zinc/80/63/95/609806395.db2.gz OOBVPCJFTPZIAS-UHFFFAOYSA-N 1 3 334.464 0.332 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000911506838 609887586 /nfs/dbraw/zinc/88/75/86/609887586.db2.gz RZGOIMXDQKQZDE-JKSUJKDBSA-N 1 3 342.443 0.327 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911507067 609887613 /nfs/dbraw/zinc/88/76/13/609887613.db2.gz VIUNVDPUHWGNFG-UHFFFAOYSA-N 1 3 332.448 0.227 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000911554723 609894020 /nfs/dbraw/zinc/89/40/20/609894020.db2.gz BWFAYTJGBPIYGP-OAGGEKHMSA-N 1 3 338.496 0.871 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000938608985 609898404 /nfs/dbraw/zinc/89/84/04/609898404.db2.gz HCDPTSJSKPXMKT-OWCLPIDISA-N 1 3 347.463 0.742 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000938608985 609898406 /nfs/dbraw/zinc/89/84/06/609898406.db2.gz HCDPTSJSKPXMKT-OWCLPIDISA-N 1 3 347.463 0.742 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C1 ZINC000911634574 609904119 /nfs/dbraw/zinc/90/41/19/609904119.db2.gz OVXFIOFAMXKXMU-IUODEOHRSA-N 1 3 330.432 0.970 20 0 ECADHO CN1CCNC[C@@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000911735084 609908672 /nfs/dbraw/zinc/90/86/72/609908672.db2.gz DRVDYSPDEFDOEU-MRXNPFEDSA-N 1 3 346.431 0.438 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000940408220 610277753 /nfs/dbraw/zinc/27/77/53/610277753.db2.gz PASAAHYDEKYEAP-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)N(C)C ZINC000941489006 610339265 /nfs/dbraw/zinc/33/92/65/610339265.db2.gz SLNZMZHVJZJRPO-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)N(C)C ZINC000941489006 610339266 /nfs/dbraw/zinc/33/92/66/610339266.db2.gz SLNZMZHVJZJRPO-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)C1 ZINC000941566983 610386966 /nfs/dbraw/zinc/38/69/66/610386966.db2.gz NNSGWQXXWODSLE-INIZCTEOSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)C1 ZINC000941566983 610386969 /nfs/dbraw/zinc/38/69/69/610386969.db2.gz NNSGWQXXWODSLE-INIZCTEOSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941566980 610387062 /nfs/dbraw/zinc/38/70/62/610387062.db2.gz NMMWBTDRBRGOMU-QAPCUYQASA-N 1 3 334.508 0.813 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941566980 610387064 /nfs/dbraw/zinc/38/70/64/610387064.db2.gz NMMWBTDRBRGOMU-QAPCUYQASA-N 1 3 334.508 0.813 20 0 ECADHO C[C@H]1C[N@H+](CCn2cncn2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558364 610511230 /nfs/dbraw/zinc/51/12/30/610511230.db2.gz VVYDDITVZIEZAZ-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558364 610511232 /nfs/dbraw/zinc/51/12/32/610511232.db2.gz VVYDDITVZIEZAZ-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941103244 610538327 /nfs/dbraw/zinc/53/83/27/610538327.db2.gz QTXFBWJOKBZZKN-CVEARBPZSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941103244 610538328 /nfs/dbraw/zinc/53/83/28/610538328.db2.gz QTXFBWJOKBZZKN-CVEARBPZSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)CN2CCCC2)CC1 ZINC000941111724 610541583 /nfs/dbraw/zinc/54/15/83/610541583.db2.gz JDVILWVMMDOEMI-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCCN(C(=O)CN2CCCC2)CC1 ZINC000941111724 610541584 /nfs/dbraw/zinc/54/15/84/610541584.db2.gz JDVILWVMMDOEMI-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO CC1(C)CN(CCn2cncn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166889 610580902 /nfs/dbraw/zinc/58/09/02/610580902.db2.gz KWNAWQYHAPMBDI-OAHLLOKOSA-N 1 3 346.479 0.591 20 0 ECADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000942875454 610667315 /nfs/dbraw/zinc/66/73/15/610667315.db2.gz PNYBGMVEIBIVGG-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000944884398 610828465 /nfs/dbraw/zinc/82/84/65/610828465.db2.gz NUHXKHCVEUMSDJ-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000944884398 610828468 /nfs/dbraw/zinc/82/84/68/610828468.db2.gz NUHXKHCVEUMSDJ-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000943914686 611038748 /nfs/dbraw/zinc/03/87/48/611038748.db2.gz ODUBQBVNCLMUMV-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C2OCCO2)C1 ZINC000923200916 611214024 /nfs/dbraw/zinc/21/40/24/611214024.db2.gz GLHOJVIVPZUQFK-GJZGRUSLSA-N 1 3 342.484 0.663 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C2OCCO2)C1 ZINC000923200916 611214026 /nfs/dbraw/zinc/21/40/26/611214026.db2.gz GLHOJVIVPZUQFK-GJZGRUSLSA-N 1 3 342.484 0.663 20 0 ECADHO COCCOc1cccc(CNC(=O)CN2CC[C@H](CC[NH3+])C2)c1 ZINC000923492487 611251607 /nfs/dbraw/zinc/25/16/07/611251607.db2.gz PSZMOPDAOUMVRD-HNNXBMFYSA-N 1 3 335.448 0.999 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2CC1 ZINC000946518223 611296944 /nfs/dbraw/zinc/29/69/44/611296944.db2.gz QBAUIUGSJYMGGG-HLLBOEOZSA-N 1 3 346.479 0.580 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]2CC1 ZINC000946518223 611296946 /nfs/dbraw/zinc/29/69/46/611296946.db2.gz QBAUIUGSJYMGGG-HLLBOEOZSA-N 1 3 346.479 0.580 20 0 ECADHO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518438 611297693 /nfs/dbraw/zinc/29/76/93/611297693.db2.gz UKWQKHDHKAUIFT-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518438 611297695 /nfs/dbraw/zinc/29/76/95/611297695.db2.gz UKWQKHDHKAUIFT-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933845479 611753001 /nfs/dbraw/zinc/75/30/01/611753001.db2.gz FJBHPQIKXAIOAU-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933845479 611753004 /nfs/dbraw/zinc/75/30/04/611753004.db2.gz FJBHPQIKXAIOAU-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@@H]21 ZINC000933855805 611754561 /nfs/dbraw/zinc/75/45/61/611754561.db2.gz OYPLXQXRBGFWFE-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@@H]21 ZINC000933855805 611754564 /nfs/dbraw/zinc/75/45/64/611754564.db2.gz OYPLXQXRBGFWFE-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CCOC(=O)C1([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000933886140 611756669 /nfs/dbraw/zinc/75/66/69/611756669.db2.gz JZJAQSVULNMMIY-LSDHHAIUSA-N 1 3 328.453 0.781 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCOC3(CC[NH+](CCO)CC3)C2)C1 ZINC000949189467 611894388 /nfs/dbraw/zinc/89/43/88/611894388.db2.gz WHMRQIQEKKXUTP-HNNXBMFYSA-N 1 3 325.453 0.014 20 0 ECADHO CC[C@@H](C(=O)N1CCOC2(CC[NH+](CCCO)CC2)C1)N(C)C ZINC000949191489 611895294 /nfs/dbraw/zinc/89/52/94/611895294.db2.gz NVAXXDKQJIQNSA-HNNXBMFYSA-N 1 3 327.469 0.402 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000950786293 611908706 /nfs/dbraw/zinc/90/87/06/611908706.db2.gz SFXXCTMGKGJGQN-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000950863500 611952328 /nfs/dbraw/zinc/95/23/28/611952328.db2.gz XTKOTXVLFJZTLE-KGLIPLIRSA-N 1 3 333.436 0.320 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000950863500 611952331 /nfs/dbraw/zinc/95/23/31/611952331.db2.gz XTKOTXVLFJZTLE-KGLIPLIRSA-N 1 3 333.436 0.320 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951237760 612096096 /nfs/dbraw/zinc/09/60/96/612096096.db2.gz DQHRKJUIOFCVQI-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000953815705 612311397 /nfs/dbraw/zinc/31/13/97/612311397.db2.gz AYJZKHXZMUKKBV-INIZCTEOSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955445717 612595442 /nfs/dbraw/zinc/59/54/42/612595442.db2.gz OYCYJTNFUDCLTN-INIZCTEOSA-N 1 3 347.463 0.742 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955445717 612595444 /nfs/dbraw/zinc/59/54/44/612595444.db2.gz OYCYJTNFUDCLTN-INIZCTEOSA-N 1 3 347.463 0.742 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954273315 612815525 /nfs/dbraw/zinc/81/55/25/612815525.db2.gz AWVWXAIATWCMJV-MRXNPFEDSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954273315 612815526 /nfs/dbraw/zinc/81/55/26/612815526.db2.gz AWVWXAIATWCMJV-MRXNPFEDSA-N 1 3 336.480 0.624 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000954319758 612849255 /nfs/dbraw/zinc/84/92/55/612849255.db2.gz KZDOFSKUGVSHOL-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954319758 612849256 /nfs/dbraw/zinc/84/92/56/612849256.db2.gz KZDOFSKUGVSHOL-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO COCCOCC[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405700 731861534 /nfs/dbraw/zinc/86/15/34/731861534.db2.gz JGXTZTZUBAJPMD-UHFFFAOYSA-N 1 3 327.469 0.618 20 0 ECADHO CC[C@H](N[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1)C(N)=O ZINC000969458489 731904041 /nfs/dbraw/zinc/90/40/41/731904041.db2.gz ROVHHCGXVDOPSY-WBVHZDCISA-N 1 3 346.475 0.859 20 0 ECADHO C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(CCc2cnn(C)c2)C1 ZINC000969678732 732043350 /nfs/dbraw/zinc/04/33/50/732043350.db2.gz XUECNHYZAFMLPB-KBXCAEBGSA-N 1 3 345.491 0.741 20 0 ECADHO COCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969832825 732425278 /nfs/dbraw/zinc/42/52/78/732425278.db2.gz JTCIOTIJWRZPBZ-PBHICJAKSA-N 1 3 339.480 0.713 20 0 ECADHO COCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832825 732425280 /nfs/dbraw/zinc/42/52/80/732425280.db2.gz JTCIOTIJWRZPBZ-PBHICJAKSA-N 1 3 339.480 0.713 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001025098079 738642500 /nfs/dbraw/zinc/64/25/00/738642500.db2.gz IZOHGHLDEHCJKG-GDBMZVCRSA-N 1 3 347.463 0.839 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC000970146363 732974062 /nfs/dbraw/zinc/97/40/62/732974062.db2.gz LRUORDLXOVUEGC-DMRZNYOFSA-N 1 3 345.447 0.352 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC000970146363 732974065 /nfs/dbraw/zinc/97/40/65/732974065.db2.gz LRUORDLXOVUEGC-DMRZNYOFSA-N 1 3 345.447 0.352 20 0 ECADHO COCCOCC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232879 733077306 /nfs/dbraw/zinc/07/73/06/733077306.db2.gz SUNASZWUYQVIFA-INIZCTEOSA-N 1 3 341.496 0.867 20 0 ECADHO CCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167260974 733104956 /nfs/dbraw/zinc/10/49/56/733104956.db2.gz STXLRNFCAZBIIT-AWEZNQCLSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N1CCCCC1 ZINC000970719832 733871416 /nfs/dbraw/zinc/87/14/16/733871416.db2.gz LOQACGXVBQBNIE-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970743960 733900553 /nfs/dbraw/zinc/90/05/53/733900553.db2.gz DHTTUMXAGJAKTQ-AWEZNQCLSA-N 1 3 344.459 0.418 20 0 ECADHO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001167385434 734113057 /nfs/dbraw/zinc/11/30/57/734113057.db2.gz CUZBYCYIGMYQQJ-OAHLLOKOSA-N 1 3 338.496 0.871 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1)N(C)C ZINC001104348881 734517022 /nfs/dbraw/zinc/51/70/22/734517022.db2.gz ZHEAHGGAGIZZRG-BZUAXINKSA-N 1 3 329.485 0.410 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001167480898 734826060 /nfs/dbraw/zinc/82/60/60/734826060.db2.gz WKARFNKYXQUACV-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000971640363 734863975 /nfs/dbraw/zinc/86/39/75/734863975.db2.gz DZMVXDRBENPMMN-HZPDHXFCSA-N 1 3 334.468 0.685 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000971640363 734863980 /nfs/dbraw/zinc/86/39/80/734863980.db2.gz DZMVXDRBENPMMN-HZPDHXFCSA-N 1 3 334.468 0.685 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000971667018 734932406 /nfs/dbraw/zinc/93/24/06/734932406.db2.gz HFOOONUNMDTWGK-SJORKVTESA-N 1 3 348.495 0.789 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000971667018 734932408 /nfs/dbraw/zinc/93/24/08/734932408.db2.gz HFOOONUNMDTWGK-SJORKVTESA-N 1 3 348.495 0.789 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000971680348 734942903 /nfs/dbraw/zinc/94/29/03/734942903.db2.gz ZOFNXNQKOWBSJF-WMZOPIPTSA-N 1 3 346.475 0.758 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000971680348 734942904 /nfs/dbraw/zinc/94/29/04/734942904.db2.gz ZOFNXNQKOWBSJF-WMZOPIPTSA-N 1 3 346.475 0.758 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC000971685985 734951431 /nfs/dbraw/zinc/95/14/31/734951431.db2.gz PZZPYFHBXHMCJO-DLBZAZTESA-N 1 3 348.495 0.768 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC000971685985 734951433 /nfs/dbraw/zinc/95/14/33/734951433.db2.gz PZZPYFHBXHMCJO-DLBZAZTESA-N 1 3 348.495 0.768 20 0 ECADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001087175228 735117199 /nfs/dbraw/zinc/11/71/99/735117199.db2.gz BWSNHESXBDEVFT-VNQPRFMTSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(NC[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001023500388 736925572 /nfs/dbraw/zinc/92/55/72/736925572.db2.gz SKJKYKDEACVYOV-CTMQZQKCSA-N 1 3 337.464 0.060 20 0 ECADHO O=C(NC[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001023500388 736925576 /nfs/dbraw/zinc/92/55/76/736925576.db2.gz SKJKYKDEACVYOV-CTMQZQKCSA-N 1 3 337.464 0.060 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001067462003 737198289 /nfs/dbraw/zinc/19/82/89/737198289.db2.gz XEDVFQQECZGYAX-GJZGRUSLSA-N 1 3 326.485 0.585 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001067462003 737198291 /nfs/dbraw/zinc/19/82/91/737198291.db2.gz XEDVFQQECZGYAX-GJZGRUSLSA-N 1 3 326.485 0.585 20 0 ECADHO Cc1nc(C)n(CCN2CCC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023746042 737287914 /nfs/dbraw/zinc/28/79/14/737287914.db2.gz LTPDYDOPHCXMOH-SJORKVTESA-N 1 3 348.495 0.675 20 0 ECADHO Cc1nc(C)n(CCN2CCC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001023746042 737287915 /nfs/dbraw/zinc/28/79/15/737287915.db2.gz LTPDYDOPHCXMOH-SJORKVTESA-N 1 3 348.495 0.675 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CCCN(C)C(=O)CN1CCCC1)[NH+](C)C ZINC001067465783 737411109 /nfs/dbraw/zinc/41/11/09/737411109.db2.gz KZZOIHJKRQAZTI-QGZVFWFLSA-N 1 3 340.512 0.975 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001024018882 737623775 /nfs/dbraw/zinc/62/37/75/737623775.db2.gz SWKOGTXQSOHYKE-RHSMWYFYSA-N 1 3 348.495 0.966 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024180433 737801859 /nfs/dbraw/zinc/80/18/59/737801859.db2.gz XLIYCEJYESYQPA-HIFRSBDPSA-N 1 3 333.436 0.401 20 0 ECADHO COc1nccc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001024263977 737870936 /nfs/dbraw/zinc/87/09/36/737870936.db2.gz LDUJBVAKTSUWQJ-CABCVRRESA-N 1 3 347.463 0.765 20 0 ECADHO COc1nccc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024263977 737870938 /nfs/dbraw/zinc/87/09/38/737870938.db2.gz LDUJBVAKTSUWQJ-CABCVRRESA-N 1 3 347.463 0.765 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)CC1 ZINC000981982147 751409519 /nfs/dbraw/zinc/40/95/19/751409519.db2.gz MQIYZYRVGRJXTJ-UHFFFAOYSA-N 1 3 346.479 0.544 20 0 ECADHO CCn1nncc1CNCC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622248 739241977 /nfs/dbraw/zinc/24/19/77/739241977.db2.gz UWUGCTWQTQSDPN-HUUCEWRRSA-N 1 3 336.484 0.824 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000973466598 739336218 /nfs/dbraw/zinc/33/62/18/739336218.db2.gz SFEVLFKPUJJUBV-VGWMRTNUSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973466598 739336219 /nfs/dbraw/zinc/33/62/19/739336219.db2.gz SFEVLFKPUJJUBV-VGWMRTNUSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001104679558 739462102 /nfs/dbraw/zinc/46/21/02/739462102.db2.gz KNCYOJBAMPTGDH-BZUAXINKSA-N 1 3 338.496 0.491 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)C1 ZINC001087387524 740290788 /nfs/dbraw/zinc/29/07/88/740290788.db2.gz FUILVHGSZVIGNH-YVSFHVDLSA-N 1 3 335.492 0.879 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)C1 ZINC001087387524 740290793 /nfs/dbraw/zinc/29/07/93/740290793.db2.gz FUILVHGSZVIGNH-YVSFHVDLSA-N 1 3 335.492 0.879 20 0 ECADHO CC[C@@H](C)NC(=O)C[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769667 740324603 /nfs/dbraw/zinc/32/46/03/740324603.db2.gz VPIGINQXFDUFOQ-WLYUNCDWSA-N 1 3 326.485 0.727 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026043392 740336089 /nfs/dbraw/zinc/33/60/89/740336089.db2.gz OWMJRSGJLJIUSP-KSXIZUIISA-N 1 3 334.464 0.138 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026043392 740336091 /nfs/dbraw/zinc/33/60/91/740336091.db2.gz OWMJRSGJLJIUSP-KSXIZUIISA-N 1 3 334.464 0.138 20 0 ECADHO C[NH2+]CCNc1nccc(CN2CC[C@@H](CO)C2)c1C(OC)OC ZINC001167723446 740340384 /nfs/dbraw/zinc/34/03/84/740340384.db2.gz VFIBRHOSRVUPRB-CYBMUJFWSA-N 1 3 338.452 0.819 20 0 ECADHO C[C@H](NCC1(CCNC(=O)COCC[NH+](C)C)CC1)c1cnccn1 ZINC001167732650 740546575 /nfs/dbraw/zinc/54/65/75/740546575.db2.gz LEVIBZBBGJGCIQ-HNNXBMFYSA-N 1 3 349.479 0.992 20 0 ECADHO Cc1cnc(CNCC2(CCNC(=O)COCC[NH+](C)C)CC2)cn1 ZINC001167736526 740804158 /nfs/dbraw/zinc/80/41/58/740804158.db2.gz CPNBTWAPAWYNRQ-UHFFFAOYSA-N 1 3 349.479 0.739 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001104938343 740979522 /nfs/dbraw/zinc/97/95/22/740979522.db2.gz UTOWMASXEOQKOM-BZUAXINKSA-N 1 3 340.512 0.879 20 0 ECADHO Cn1ncc(CN[C@@H]2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)n1 ZINC001026349191 740987789 /nfs/dbraw/zinc/98/77/89/740987789.db2.gz XLRSJWZLTRRRMH-USXIJHARSA-N 1 3 346.479 0.484 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)[C@@H]2C1 ZINC001026366820 741070115 /nfs/dbraw/zinc/07/01/15/741070115.db2.gz QSONIDYFTVJBRT-NUEKZKHPSA-N 1 3 345.447 0.401 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974185413 741073375 /nfs/dbraw/zinc/07/33/75/741073375.db2.gz MNTADNBBSUSASH-DGXTUMSLSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974185413 741073381 /nfs/dbraw/zinc/07/33/81/741073381.db2.gz MNTADNBBSUSASH-DGXTUMSLSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001105064093 741276561 /nfs/dbraw/zinc/27/65/61/741276561.db2.gz VWXPPJJPPZKBSK-HUUCEWRRSA-N 1 3 346.475 0.921 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000974326538 741322294 /nfs/dbraw/zinc/32/22/94/741322294.db2.gz QRKPXCKITURMDH-SOUVJXGZSA-N 1 3 334.464 0.330 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001026726756 741722906 /nfs/dbraw/zinc/72/29/06/741722906.db2.gz FFOSSEOHPFPXAO-CVEARBPZSA-N 1 3 332.448 0.418 20 0 ECADHO CC(C)CCNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326674 741809122 /nfs/dbraw/zinc/80/91/22/741809122.db2.gz BGHWNGVYJMZCLI-RHSMWYFYSA-N 1 3 348.495 0.995 20 0 ECADHO CC(C)CCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326674 741809125 /nfs/dbraw/zinc/80/91/25/741809125.db2.gz BGHWNGVYJMZCLI-RHSMWYFYSA-N 1 3 348.495 0.995 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001026854047 741976906 /nfs/dbraw/zinc/97/69/06/741976906.db2.gz ZHZLTAUHWJRTGJ-IJEWVQPXSA-N 1 3 347.463 0.764 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001026854047 741976909 /nfs/dbraw/zinc/97/69/09/741976909.db2.gz ZHZLTAUHWJRTGJ-IJEWVQPXSA-N 1 3 347.463 0.764 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]C[C@@H]3CCc4ncnn43)C2)CCC1 ZINC001026885916 742026511 /nfs/dbraw/zinc/02/65/11/742026511.db2.gz OXGIUPWFNYKIFK-GJZGRUSLSA-N 1 3 346.479 0.688 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001026888208 742045729 /nfs/dbraw/zinc/04/57/29/742045729.db2.gz AHEDNVHKUTYXRX-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)nn2)C1)N(C)C ZINC001026916226 742092066 /nfs/dbraw/zinc/09/20/66/742092066.db2.gz DXBWBGRQIMPCSJ-UKRRQHHQSA-N 1 3 335.452 0.764 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001026940082 742136502 /nfs/dbraw/zinc/13/65/02/742136502.db2.gz YUVJAZGZQUYVEN-OAHLLOKOSA-N 1 3 346.479 0.865 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001027036257 742347314 /nfs/dbraw/zinc/34/73/14/742347314.db2.gz WBYNRSKGGCADGP-CQSZACIVSA-N 1 3 347.463 0.765 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001027062706 742429499 /nfs/dbraw/zinc/42/94/99/742429499.db2.gz AFDNWRBJBJANIP-DOTOQJQBSA-N 1 3 346.475 0.808 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccnc(OC)n2)C1)N(C)C ZINC001027070108 742481941 /nfs/dbraw/zinc/48/19/41/742481941.db2.gz JJAVXGYDQSRULC-ZFWWWQNUSA-N 1 3 335.452 0.764 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170237 742962791 /nfs/dbraw/zinc/96/27/91/742962791.db2.gz GBMNNCKNFUZFJM-CABCVRRESA-N 1 3 347.463 0.765 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170237 742962794 /nfs/dbraw/zinc/96/27/94/742962794.db2.gz GBMNNCKNFUZFJM-CABCVRRESA-N 1 3 347.463 0.765 20 0 ECADHO C[C@H]([NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1)C(N)=O ZINC000996996946 743108752 /nfs/dbraw/zinc/10/87/52/743108752.db2.gz AVSOUQHLRXNIGE-SJCJKPOMSA-N 1 3 342.459 0.653 20 0 ECADHO C[C@@H](NC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC000997002274 743114053 /nfs/dbraw/zinc/11/40/53/743114053.db2.gz VFUIDWFJCBAGLF-UONOGXRCSA-N 1 3 334.468 0.941 20 0 ECADHO C[C@@H](NC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC000997002274 743114060 /nfs/dbraw/zinc/11/40/60/743114060.db2.gz VFUIDWFJCBAGLF-UONOGXRCSA-N 1 3 334.468 0.941 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000997042988 743163715 /nfs/dbraw/zinc/16/37/15/743163715.db2.gz SZDRCXJKAVIKCF-MRXNPFEDSA-N 1 3 345.447 0.686 20 0 ECADHO CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC001020587795 751848871 /nfs/dbraw/zinc/84/88/71/751848871.db2.gz VCNGFFWSNQPNQH-FPCVCCKLSA-N 1 3 336.480 0.717 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000997611740 743708153 /nfs/dbraw/zinc/70/81/53/743708153.db2.gz GOPNGIVCXVVCFP-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001020591336 751859303 /nfs/dbraw/zinc/85/93/03/751859303.db2.gz LEEJAIGQSVIFES-RBSFLKMASA-N 1 3 336.480 0.576 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001020591946 751860050 /nfs/dbraw/zinc/86/00/50/751860050.db2.gz WXYLKOGCPHVDHT-SHTZXODSSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@]12CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@@]1(C)C[N@H+](CCO)C2 ZINC000982282777 751860938 /nfs/dbraw/zinc/86/09/38/751860938.db2.gz HJBMOJSHFZWIQY-UOVPBQLFSA-N 1 3 337.464 0.012 20 0 ECADHO C[C@]12CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982282777 751860946 /nfs/dbraw/zinc/86/09/46/751860946.db2.gz HJBMOJSHFZWIQY-UOVPBQLFSA-N 1 3 337.464 0.012 20 0 ECADHO C[C@]12CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@@]1(C)C[N@H+](CCO)C2 ZINC000982282775 751861460 /nfs/dbraw/zinc/86/14/60/751861460.db2.gz HJBMOJSHFZWIQY-ATLSCFEFSA-N 1 3 337.464 0.012 20 0 ECADHO C[C@]12CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982282775 751861469 /nfs/dbraw/zinc/86/14/69/751861469.db2.gz HJBMOJSHFZWIQY-ATLSCFEFSA-N 1 3 337.464 0.012 20 0 ECADHO CC[C@H](C(N)=O)N1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997836154 743844647 /nfs/dbraw/zinc/84/46/47/743844647.db2.gz GLKGTMABINRGTR-DZGCQCFKSA-N 1 3 336.480 0.563 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976508675 744038979 /nfs/dbraw/zinc/03/89/79/744038979.db2.gz PCVGIMDWFDXPGT-NRKLIOEPSA-N 1 3 348.491 0.384 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976508675 744038984 /nfs/dbraw/zinc/03/89/84/744038984.db2.gz PCVGIMDWFDXPGT-NRKLIOEPSA-N 1 3 348.491 0.384 20 0 ECADHO O=C(N1CC[C@@H](C(F)(F)F)[C@@H](NCCO)C1)C12CC[NH+](CC1)C2 ZINC000998306564 744110707 /nfs/dbraw/zinc/11/07/07/744110707.db2.gz VCYTYSAETIXZEP-NEPJUHHUSA-N 1 3 335.370 0.444 20 0 ECADHO CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)N(C)C ZINC000998658055 744271710 /nfs/dbraw/zinc/27/17/10/744271710.db2.gz ZZQMFPHMJOBDND-UGUYLWEFSA-N 1 3 348.491 0.671 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000976869685 744426756 /nfs/dbraw/zinc/42/67/56/744426756.db2.gz MEIQBXJNQJJDTR-LJIGWXMPSA-N 1 3 346.475 0.140 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCN2CCCC2=O)C1)N(C)C ZINC001027459744 744570898 /nfs/dbraw/zinc/57/08/98/744570898.db2.gz APSANMHHUXSEQB-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCN2CCCC2=O)C1)N(C)C ZINC001027459744 744570901 /nfs/dbraw/zinc/57/09/01/744570901.db2.gz APSANMHHUXSEQB-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC000977024595 744577234 /nfs/dbraw/zinc/57/72/34/744577234.db2.gz CMVAEZZCVJXVHL-YXISZKLHSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)CC[N@H+]1C ZINC000977024595 744577236 /nfs/dbraw/zinc/57/72/36/744577236.db2.gz CMVAEZZCVJXVHL-YXISZKLHSA-N 1 3 348.491 0.386 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC000999303670 744612562 /nfs/dbraw/zinc/61/25/62/744612562.db2.gz HXAQAWFCNOIRPV-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC000999303670 744612565 /nfs/dbraw/zinc/61/25/65/744612565.db2.gz HXAQAWFCNOIRPV-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CCC1 ZINC000999349728 744643453 /nfs/dbraw/zinc/64/34/53/744643453.db2.gz UIPRINJDSWTJDR-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CCN2CCNC2=O)CC1 ZINC001167901694 751935903 /nfs/dbraw/zinc/93/59/03/751935903.db2.gz WFODMMQWISPHLQ-UHFFFAOYSA-N 1 3 348.451 0.162 20 0 ECADHO CCN(CC)C[C@@H](F)C(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001100377501 751936369 /nfs/dbraw/zinc/93/63/69/751936369.db2.gz BTXGTNQWSUTFMZ-YMAMQOFZSA-N 1 3 342.459 0.383 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000999369825 744660636 /nfs/dbraw/zinc/66/06/36/744660636.db2.gz KOUXJLYEFALKCE-SJLPKXTDSA-N 1 3 346.475 0.806 20 0 ECADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC000999402081 744678086 /nfs/dbraw/zinc/67/80/86/744678086.db2.gz DHNALTGNSRTDGI-YMAMQOFZSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999850141 744943296 /nfs/dbraw/zinc/94/32/96/744943296.db2.gz WICYAZOMNVCNDT-KDOFPFPSSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000999865793 744963636 /nfs/dbraw/zinc/96/36/36/744963636.db2.gz 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Cc1nc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n[nH]1 ZINC001000022105 745192839 /nfs/dbraw/zinc/19/28/39/745192839.db2.gz WZOMZYDHMVXSRQ-QEJZJMRPSA-N 1 3 334.468 0.924 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029170467 745200523 /nfs/dbraw/zinc/20/05/23/745200523.db2.gz PZHJKDOULADHQZ-UKRRQHHQSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001029170467 745200528 /nfs/dbraw/zinc/20/05/28/745200528.db2.gz PZHJKDOULADHQZ-UKRRQHHQSA-N 1 3 334.468 0.484 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001000114293 745274407 /nfs/dbraw/zinc/27/44/07/745274407.db2.gz ULKFTLYZFXKHJA-DOTOQJQBSA-N 1 3 338.496 0.776 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112536086 745351768 /nfs/dbraw/zinc/35/17/68/745351768.db2.gz OZNGUQWNVRVLIA-YOEHRIQHSA-N 1 3 336.436 0.179 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001000227985 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C[C@]12CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982385907 752084828 /nfs/dbraw/zinc/08/48/28/752084828.db2.gz NITHHBVOTGBDPP-NCCNMHLXSA-N 1 3 349.475 0.012 20 0 ECADHO CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978554892 746424894 /nfs/dbraw/zinc/42/48/94/746424894.db2.gz JHUKFCQELFRBRI-HSPZGVKFSA-N 1 3 333.476 0.800 20 0 ECADHO CC(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978554892 746424897 /nfs/dbraw/zinc/42/48/97/746424897.db2.gz JHUKFCQELFRBRI-HSPZGVKFSA-N 1 3 333.476 0.800 20 0 ECADHO O=C(NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000978567055 746430177 /nfs/dbraw/zinc/43/01/77/746430177.db2.gz XPZJSUIVXDWFDB-PIMZTRDMSA-N 1 3 331.460 0.554 20 0 ECADHO O=C(NC[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000978567055 746430180 /nfs/dbraw/zinc/43/01/80/746430180.db2.gz XPZJSUIVXDWFDB-PIMZTRDMSA-N 1 3 331.460 0.554 20 0 ECADHO 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20 0 ECADHO Cc1cc(CNCCCNC(=O)c2cnn(CC[NH+](C)C)c2)nn1C ZINC001168051778 747387449 /nfs/dbraw/zinc/38/74/49/747387449.db2.gz JWVBMIFQYCUOMB-UHFFFAOYSA-N 1 3 347.467 0.396 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001002500544 747438920 /nfs/dbraw/zinc/43/89/20/747438920.db2.gz WZTPSLWBNJODCB-OAHLLOKOSA-N 1 3 347.463 0.505 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001002500544 747438925 /nfs/dbraw/zinc/43/89/25/747438925.db2.gz WZTPSLWBNJODCB-OAHLLOKOSA-N 1 3 347.463 0.505 20 0 ECADHO C[C@@H](NCc1cncn1C)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC000979367354 747713760 /nfs/dbraw/zinc/71/37/60/747713760.db2.gz FFCWXZFUUVNOQI-PBHICJAKSA-N 1 3 349.479 0.467 20 0 ECADHO CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985333102 747736878 /nfs/dbraw/zinc/73/68/78/747736878.db2.gz XHJOKCVFEYELGD-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985333102 747736882 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ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001002888120 747923079 /nfs/dbraw/zinc/92/30/79/747923079.db2.gz NELFOODIULDMSI-IAGOWNOFSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001002889846 747924461 /nfs/dbraw/zinc/92/44/61/747924461.db2.gz WDDXDEGTGNQSBV-CVEARBPZSA-N 1 3 345.447 0.544 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001002889846 747924467 /nfs/dbraw/zinc/92/44/67/747924467.db2.gz WDDXDEGTGNQSBV-CVEARBPZSA-N 1 3 345.447 0.544 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001002917656 747958089 /nfs/dbraw/zinc/95/80/89/747958089.db2.gz LIPCMHKUVSDYCS-INIZCTEOSA-N 1 3 338.496 0.489 20 0 ECADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985431933 748000925 /nfs/dbraw/zinc/00/09/25/748000925.db2.gz AVWKKOSATLNEFK-HZPDHXFCSA-N 1 3 334.464 0.140 20 0 ECADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001029754785 748261353 /nfs/dbraw/zinc/26/13/53/748261353.db2.gz CXQSGBNTVRDBJM-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001029754785 748261359 /nfs/dbraw/zinc/26/13/59/748261359.db2.gz CXQSGBNTVRDBJM-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001029755717 748264799 /nfs/dbraw/zinc/26/47/99/748264799.db2.gz SGPMIRUOGBYGDC-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001029755717 748264805 /nfs/dbraw/zinc/26/48/05/748264805.db2.gz SGPMIRUOGBYGDC-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985497966 748302812 /nfs/dbraw/zinc/30/28/12/748302812.db2.gz DGNQHUAILAVJDN-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985497966 748302820 /nfs/dbraw/zinc/30/28/20/748302820.db2.gz DGNQHUAILAVJDN-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC001003630039 748743136 /nfs/dbraw/zinc/74/31/36/748743136.db2.gz IGGCHNUGVKHXAK-YOEHRIQHSA-N 1 3 346.475 0.664 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC001003630039 748743138 /nfs/dbraw/zinc/74/31/38/748743138.db2.gz IGGCHNUGVKHXAK-YOEHRIQHSA-N 1 3 346.475 0.664 20 0 ECADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC001003791741 748898597 /nfs/dbraw/zinc/89/85/97/748898597.db2.gz XFNROXHJLWJMFF-CWRNSKLLSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC001003791741 748898602 /nfs/dbraw/zinc/89/86/02/748898602.db2.gz XFNROXHJLWJMFF-CWRNSKLLSA-N 1 3 338.496 0.632 20 0 ECADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985802522 749134570 /nfs/dbraw/zinc/13/45/70/749134570.db2.gz SRGHVLXAHKISDE-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CC(N)=O)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000985804048 749138400 /nfs/dbraw/zinc/13/84/00/749138400.db2.gz MNWAMJIPPORQLQ-UHFFFAOYSA-N 1 3 332.448 0.770 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001051348738 761927634 /nfs/dbraw/zinc/92/76/34/761927634.db2.gz RKKCDZYBILLHJB-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)n1 ZINC000986351527 749838634 /nfs/dbraw/zinc/83/86/34/749838634.db2.gz CGDOZHMUGWJPCX-GUYCJALGSA-N 1 3 348.495 0.958 20 0 ECADHO C[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)CN1C(=O)CN(C)C1CCC1 ZINC000980603521 749838954 /nfs/dbraw/zinc/83/89/54/749838954.db2.gz FZZCWAGXEJDRSF-UONOGXRCSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@@H]1C[C@H](C[NH2+]Cc2cnnn2C)CN1C(=O)CN(C)C1CCC1 ZINC000980603522 749839607 /nfs/dbraw/zinc/83/96/07/749839607.db2.gz FZZCWAGXEJDRSF-ZIAGYGMSSA-N 1 3 334.468 0.626 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)n1 ZINC000980798492 750178945 /nfs/dbraw/zinc/17/89/45/750178945.db2.gz BOYPDPOYJOWGGJ-GJZGRUSLSA-N 1 3 347.463 0.908 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001005183427 750338842 /nfs/dbraw/zinc/33/88/42/750338842.db2.gz IHYHJAQBENZJGC-KRWDZBQOSA-N 1 3 333.480 0.980 20 0 ECADHO C[C@@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986811028 750378474 /nfs/dbraw/zinc/37/84/74/750378474.db2.gz MVMMPJHFZBBZME-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987281420 750693517 /nfs/dbraw/zinc/69/35/17/750693517.db2.gz RDIBKVPSOUSZTL-YOEHRIQHSA-N 1 3 349.479 0.610 20 0 ECADHO Cc1nnc(CN[C@H]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC000981462688 750718390 /nfs/dbraw/zinc/71/83/90/750718390.db2.gz YNZUTRCBKIUJPY-KBPBESRZSA-N 1 3 332.452 0.726 20 0 ECADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)CCN1C(=O)CN1CCCC1 ZINC000987527546 750932944 /nfs/dbraw/zinc/93/29/44/750932944.db2.gz WJYVSZKTIQBJNR-PBHICJAKSA-N 1 3 344.459 0.960 20 0 ECADHO C[C@H]1[C@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)CN1CCCC1 ZINC000987520985 750939265 /nfs/dbraw/zinc/93/92/65/750939265.db2.gz VPCCCMCUWDUVLW-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CCN(CCn2cncn2)CC1 ZINC001006090917 751008591 /nfs/dbraw/zinc/00/85/91/751008591.db2.gz ISDQFIFQLCWGOS-UHFFFAOYSA-N 1 3 348.495 0.933 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCCN(C[C@H](O)Cn3cccn3)CC2)CC1 ZINC000981868533 751221930 /nfs/dbraw/zinc/22/19/30/751221930.db2.gz ZFPXGNHLRFHKQY-KRWDZBQOSA-N 1 3 349.479 0.120 20 0 ECADHO Cc1cncn1CC(=O)N1CC2(C1)CCCN(CC(=O)N(C)C)C2 ZINC000981893986 751244256 /nfs/dbraw/zinc/24/42/56/751244256.db2.gz VDDYMFMDQUFRQG-UHFFFAOYSA-N 1 3 333.436 0.204 20 0 ECADHO CN1CCN(C2CC[NH+](C3CCN(Cc4cn[nH]n4)CC3)CC2)CC1 ZINC001203211632 751337330 /nfs/dbraw/zinc/33/73/30/751337330.db2.gz JCUCMXFZICVYNA-UHFFFAOYSA-N 1 3 347.511 0.481 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001020982114 752398569 /nfs/dbraw/zinc/39/85/69/752398569.db2.gz YDYWVJOBZDNIIJ-JHJVBQTASA-N 1 3 329.408 0.276 20 0 ECADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC000982600182 753025832 /nfs/dbraw/zinc/02/58/32/753025832.db2.gz VXOAOGWRIWPWKP-OLMNPRSZSA-N 1 3 345.447 0.401 20 0 ECADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC000982600182 753025835 /nfs/dbraw/zinc/02/58/35/753025835.db2.gz VXOAOGWRIWPWKP-OLMNPRSZSA-N 1 3 345.447 0.401 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@@H]1CCCN1C ZINC000989025110 753151031 /nfs/dbraw/zinc/15/10/31/753151031.db2.gz USVMJNLVIIGQPS-PMPSAXMXSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000989449488 753944881 /nfs/dbraw/zinc/94/48/81/753944881.db2.gz IDRWKPQLPBNWMV-BBRMVZONSA-N 1 3 332.448 0.469 20 0 ECADHO C[C@@H]1C[C@@H](NCc2ccnn2C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989619190 754195998 /nfs/dbraw/zinc/19/59/98/754195998.db2.gz SVPVIHHDWRKHHQ-HUUCEWRRSA-N 1 3 349.479 0.610 20 0 ECADHO CN1CC[C@@H](N2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028655962 754319732 /nfs/dbraw/zinc/31/97/32/754319732.db2.gz BFMCYGLCXOPPED-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)n1 ZINC000989798723 754459199 /nfs/dbraw/zinc/45/91/99/754459199.db2.gz DTBSSPGKVGKOSG-XJKSGUPXSA-N 1 3 334.468 0.570 20 0 ECADHO CO[C@@H](C)CN1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983025082 754459620 /nfs/dbraw/zinc/45/96/20/754459620.db2.gz BTGJVLBLDNMWHD-HNNXBMFYSA-N 1 3 327.469 0.666 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC001009117269 754549814 /nfs/dbraw/zinc/54/98/14/754549814.db2.gz HDITYJZZXOEQLB-BTAUDXDXSA-N 1 3 345.447 0.113 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC001009117269 754549817 /nfs/dbraw/zinc/54/98/17/754549817.db2.gz HDITYJZZXOEQLB-BTAUDXDXSA-N 1 3 345.447 0.113 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](CCCF)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028698699 754710795 /nfs/dbraw/zinc/71/07/95/754710795.db2.gz PWVFCRKCOLTQFZ-UJEKJILKSA-N 1 3 325.428 0.647 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](CCCF)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028698699 754710802 /nfs/dbraw/zinc/71/08/02/754710802.db2.gz PWVFCRKCOLTQFZ-UJEKJILKSA-N 1 3 325.428 0.647 20 0 ECADHO COCCOCC[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345266 754762849 /nfs/dbraw/zinc/76/28/49/754762849.db2.gz MLNXADNUBOBXOT-UHFFFAOYSA-N 1 3 329.485 0.866 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC000990276358 754931651 /nfs/dbraw/zinc/93/16/51/754931651.db2.gz ICAFVRWFVBVSML-HUUCEWRRSA-N 1 3 332.452 0.440 20 0 ECADHO COc1coc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1=O ZINC000990277353 754932882 /nfs/dbraw/zinc/93/28/82/754932882.db2.gz NBAWJQUJXXJQLQ-HNNXBMFYSA-N 1 3 349.431 0.823 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001030021676 755736687 /nfs/dbraw/zinc/73/66/87/755736687.db2.gz XZINKSLOXLHUEY-ZNMIVQPWSA-N 1 3 334.468 0.686 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001076658069 756797372 /nfs/dbraw/zinc/79/73/72/756797372.db2.gz FBWLUTXPDLHODI-WFASDCNBSA-N 1 3 347.463 0.613 20 0 ECADHO CC(C)(C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+]1CCCC1 ZINC001011162956 757082627 /nfs/dbraw/zinc/08/26/27/757082627.db2.gz WSLDNYADVCRILW-UHFFFAOYSA-N 1 3 336.480 0.627 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)C1CCC1 ZINC001048864498 757220676 /nfs/dbraw/zinc/22/06/76/757220676.db2.gz HTURWLKIVAUDGT-IJEWVQPXSA-N 1 3 334.464 0.140 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)C1CCC1 ZINC001048864498 757220682 /nfs/dbraw/zinc/22/06/82/757220682.db2.gz HTURWLKIVAUDGT-IJEWVQPXSA-N 1 3 334.464 0.140 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)C(C)(C)C2)C1 ZINC000996311185 757339009 /nfs/dbraw/zinc/33/90/09/757339009.db2.gz QMCWCATZMJFQQS-UONOGXRCSA-N 1 3 336.480 0.433 20 0 ECADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943966 757479913 /nfs/dbraw/zinc/47/99/13/757479913.db2.gz LINVSGKYFBKRMJ-AMBDVVEUSA-N 1 3 349.475 0.275 20 0 ECADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943966 757479922 /nfs/dbraw/zinc/47/99/22/757479922.db2.gz LINVSGKYFBKRMJ-AMBDVVEUSA-N 1 3 349.475 0.275 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001049025850 757730139 /nfs/dbraw/zinc/73/01/39/757730139.db2.gz YVXPVDYTBAKCES-BMFZPTHFSA-N 1 3 348.491 0.386 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001049038019 757753726 /nfs/dbraw/zinc/75/37/26/757753726.db2.gz DICBKFVYZUDDEY-QKPAOTATSA-N 1 3 336.480 0.194 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001049038019 757753733 /nfs/dbraw/zinc/75/37/33/757753733.db2.gz DICBKFVYZUDDEY-QKPAOTATSA-N 1 3 336.480 0.194 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(CC(=O)N(C)C3CC3)C[C@H]2C1 ZINC001049057042 757804951 /nfs/dbraw/zinc/80/49/51/757804951.db2.gz JMIVJCSEFUXPAI-HRCADAONSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(CC(=O)N(C)C3CC3)C[C@H]2C1 ZINC001049057042 757804970 /nfs/dbraw/zinc/80/49/70/757804970.db2.gz JMIVJCSEFUXPAI-HRCADAONSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(CC(=O)N(C)C3CC3)C[C@H]2C1 ZINC001049060006 757825482 /nfs/dbraw/zinc/82/54/82/757825482.db2.gz LJUKMIWQSTXOLH-LJIGWXMPSA-N 1 3 348.491 0.195 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(CC(=O)N(C)C3CC3)C[C@H]2C1 ZINC001049060006 757825490 /nfs/dbraw/zinc/82/54/90/757825490.db2.gz LJUKMIWQSTXOLH-LJIGWXMPSA-N 1 3 348.491 0.195 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC001021710061 757840044 /nfs/dbraw/zinc/84/00/44/757840044.db2.gz YSDAPQGGOVJITO-YESZJQIVSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC001021710061 757840055 /nfs/dbraw/zinc/84/00/55/757840055.db2.gz YSDAPQGGOVJITO-YESZJQIVSA-N 1 3 348.491 0.626 20 0 ECADHO CN(CC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCCOC2)C1)C1CCC1 ZINC001051654238 762601114 /nfs/dbraw/zinc/60/11/14/762601114.db2.gz JQWKMFRNUPMPFE-DOTOQJQBSA-N 1 3 339.480 0.714 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049173828 758218824 /nfs/dbraw/zinc/21/88/24/758218824.db2.gz IQIXNPIRSYIEHQ-XUWVNRHRSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049173828 758218832 /nfs/dbraw/zinc/21/88/32/758218832.db2.gz IQIXNPIRSYIEHQ-XUWVNRHRSA-N 1 3 348.491 0.386 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001022090418 758263901 /nfs/dbraw/zinc/26/39/01/758263901.db2.gz YGBFIHPIUCXIGW-ZNMIVQPWSA-N 1 3 344.463 0.761 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022121203 758306982 /nfs/dbraw/zinc/30/69/82/758306982.db2.gz ZYKWTBSZJGIZFS-QSJFSLAZSA-N 1 3 348.447 0.837 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022121203 758306990 /nfs/dbraw/zinc/30/69/90/758306990.db2.gz ZYKWTBSZJGIZFS-QSJFSLAZSA-N 1 3 348.447 0.837 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccccn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001022121662 758307741 /nfs/dbraw/zinc/30/77/41/758307741.db2.gz IDNIKYHEDYKBCN-TWMKSMIVSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccccn2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001022121662 758307749 /nfs/dbraw/zinc/30/77/49/758307749.db2.gz IDNIKYHEDYKBCN-TWMKSMIVSA-N 1 3 330.432 0.682 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)c1 ZINC000996657989 758347993 /nfs/dbraw/zinc/34/79/93/758347993.db2.gz AAVJAUGQJIPFCV-OAHLLOKOSA-N 1 3 332.448 0.674 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001077151086 758353320 /nfs/dbraw/zinc/35/33/20/758353320.db2.gz DBZIHENTEIFGLE-QLFBSQMISA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001077151086 758353333 /nfs/dbraw/zinc/35/33/33/758353333.db2.gz DBZIHENTEIFGLE-QLFBSQMISA-N 1 3 326.485 0.679 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC001051661145 762621061 /nfs/dbraw/zinc/62/10/61/762621061.db2.gz NGJLHAQLFUCCKV-IRXDYDNUSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CCO2)cn1 ZINC001051661145 762621062 /nfs/dbraw/zinc/62/10/62/762621062.db2.gz NGJLHAQLFUCCKV-IRXDYDNUSA-N 1 3 349.479 0.612 20 0 ECADHO CN(CC(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1)C1CCC1 ZINC000996664069 758385244 /nfs/dbraw/zinc/38/52/44/758385244.db2.gz DKRLWMTWUCVFPT-UHFFFAOYSA-N 1 3 337.468 0.077 20 0 ECADHO COc1nccc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)n1 ZINC000996674888 758424793 /nfs/dbraw/zinc/42/47/93/758424793.db2.gz DHBJBDIGOJHYKK-INIZCTEOSA-N 1 3 347.463 0.906 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]CCn2nc(C)nc2C)CC1)N(C)C ZINC000996713376 758569538 /nfs/dbraw/zinc/56/95/38/758569538.db2.gz UNJUUSQMAIAMMF-MRXNPFEDSA-N 1 3 336.484 0.816 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1)N(C)C ZINC000996721686 758624019 /nfs/dbraw/zinc/62/40/19/758624019.db2.gz ZNQSBKYULHUBKW-CQSZACIVSA-N 1 3 338.452 0.056 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022493824 758799631 /nfs/dbraw/zinc/79/96/31/758799631.db2.gz XPEVQYLTXMNRCE-HLLBOEOZSA-N 1 3 346.479 0.909 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001022711631 759023357 /nfs/dbraw/zinc/02/33/57/759023357.db2.gz CHKHEQOGLGCWOE-AIANPOQGSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001022712010 759025573 /nfs/dbraw/zinc/02/55/73/759025573.db2.gz IDVQKKPSJHAHOM-YHUYYLMFSA-N 1 3 336.480 0.624 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@H](O)Cc3ccccc3)C2)C1 ZINC001032183062 759378481 /nfs/dbraw/zinc/37/84/81/759378481.db2.gz YXZHVQPXHLWBPF-QZTJIDSGSA-N 1 3 331.460 0.590 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C[C@H](O)Cc3ccccc3)C2)C1 ZINC001032183062 759378493 /nfs/dbraw/zinc/37/84/93/759378493.db2.gz YXZHVQPXHLWBPF-QZTJIDSGSA-N 1 3 331.460 0.590 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001012100738 759409913 /nfs/dbraw/zinc/40/99/13/759409913.db2.gz KRMZRZOFNNTMJE-WFASDCNBSA-N 1 3 333.436 0.400 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001107037213 759491329 /nfs/dbraw/zinc/49/13/29/759491329.db2.gz XDADJXGBJNDARH-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047871459 759632467 /nfs/dbraw/zinc/63/24/67/759632467.db2.gz YBVRNFWBXVRTPY-KBPBESRZSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@H](NCc1cnns1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048041109 759870552 /nfs/dbraw/zinc/87/05/52/759870552.db2.gz WJPZCJLAKLXDMF-STQMWFEESA-N 1 3 335.477 0.961 20 0 ECADHO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)nn1 ZINC001048064359 759906086 /nfs/dbraw/zinc/90/60/86/759906086.db2.gz IRBBSTGTAXWLMC-LSDHHAIUSA-N 1 3 347.463 0.908 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001054296288 767904397 /nfs/dbraw/zinc/90/43/97/767904397.db2.gz MLGLXJQFXZGYNP-VYDXJSESSA-N 1 3 348.495 0.932 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001054296438 767904589 /nfs/dbraw/zinc/90/45/89/767904589.db2.gz GHVWTXXDIYQMSB-RBSFLKMASA-N 1 3 345.509 0.342 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)CC2 ZINC001050462575 760306395 /nfs/dbraw/zinc/30/63/95/760306395.db2.gz WUQFTMXLYSGPPJ-HNNXBMFYSA-N 1 3 349.479 0.030 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050520763 760419125 /nfs/dbraw/zinc/41/91/25/760419125.db2.gz JRVBAFBDNOKEJV-HOTGVXAUSA-N 1 3 348.491 0.517 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNCc1cnns1 ZINC001048442584 760537637 /nfs/dbraw/zinc/53/76/37/760537637.db2.gz WBUYITUFBBMMKQ-QWHCGFSZSA-N 1 3 335.477 0.818 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC3(C2)CCN([C@H]2CCNC2=O)CC3)CC1 ZINC001050643799 760620175 /nfs/dbraw/zinc/62/01/75/760620175.db2.gz QBXWZHBULXTSPT-HNNXBMFYSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001050661765 760637036 /nfs/dbraw/zinc/63/70/36/760637036.db2.gz BNDNGYRGWBQWBC-MRXNPFEDSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCNC2=O)CC3)C1 ZINC001050661761 760637146 /nfs/dbraw/zinc/63/71/46/760637146.db2.gz BNARQEHEIGYFHH-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCNC2=O)CC3)C1 ZINC001050661761 760637149 /nfs/dbraw/zinc/63/71/49/760637149.db2.gz BNARQEHEIGYFHH-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO COc1ncc(CNCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001127065826 760659176 /nfs/dbraw/zinc/65/91/76/760659176.db2.gz FLEMSXYYPPUTNI-OAHLLOKOSA-N 1 3 335.452 0.872 20 0 ECADHO COc1ncc(CNCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001127065826 760659181 /nfs/dbraw/zinc/65/91/81/760659181.db2.gz FLEMSXYYPPUTNI-OAHLLOKOSA-N 1 3 335.452 0.872 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)CCC1 ZINC000995892297 760734292 /nfs/dbraw/zinc/73/42/92/760734292.db2.gz FZJYBCMQIXKOJO-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753376 760779591 /nfs/dbraw/zinc/77/95/91/760779591.db2.gz KBHZZWXWNARRNE-CABCVRRESA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753376 760779594 /nfs/dbraw/zinc/77/95/94/760779594.db2.gz KBHZZWXWNARRNE-CABCVRRESA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001127078765 760851093 /nfs/dbraw/zinc/85/10/93/760851093.db2.gz RPVQBTNEHFUXAE-HUUCEWRRSA-N 1 3 338.496 0.964 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001127078765 760851107 /nfs/dbraw/zinc/85/11/07/760851107.db2.gz RPVQBTNEHFUXAE-HUUCEWRRSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001050960308 761225875 /nfs/dbraw/zinc/22/58/75/761225875.db2.gz QOFYZKYKYRJJJO-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@H](C(=O)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1)N(C)C ZINC001051811245 763021930 /nfs/dbraw/zinc/02/19/30/763021930.db2.gz YBYYJDSLEDWENS-IAGOWNOFSA-N 1 3 341.496 0.816 20 0 ECADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051902018 763276797 /nfs/dbraw/zinc/27/67/97/763276797.db2.gz UACKLKBHRBMHCV-DOTOQJQBSA-N 1 3 349.479 0.387 20 0 ECADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051902018 763276805 /nfs/dbraw/zinc/27/68/05/763276805.db2.gz UACKLKBHRBMHCV-DOTOQJQBSA-N 1 3 349.479 0.387 20 0 ECADHO CN(CC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001046892041 763317086 /nfs/dbraw/zinc/31/70/86/763317086.db2.gz KUOGUVJQJAAGIA-CRAIPNDOSA-N 1 3 336.480 0.530 20 0 ECADHO COc1cc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)ccn1 ZINC001051930229 763362437 /nfs/dbraw/zinc/36/24/37/763362437.db2.gz KEWFCRBBKHXVMS-CVEARBPZSA-N 1 3 348.447 0.359 20 0 ECADHO COc1cc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)ccn1 ZINC001051930229 763362447 /nfs/dbraw/zinc/36/24/47/763362447.db2.gz KEWFCRBBKHXVMS-CVEARBPZSA-N 1 3 348.447 0.359 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001051943105 763408861 /nfs/dbraw/zinc/40/88/61/763408861.db2.gz IKBXNYRHTMUHEM-DLBZAZTESA-N 1 3 349.479 0.612 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001051944436 763412798 /nfs/dbraw/zinc/41/27/98/763412798.db2.gz YDXDYHWCQAGZIS-KRWDZBQOSA-N 1 3 349.479 0.613 20 0 ECADHO C[C@@H](O)CN1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968393 763484259 /nfs/dbraw/zinc/48/42/59/763484259.db2.gz FTIDKLLCDIOIRG-TZMCWYRMSA-N 1 3 333.423 0.782 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001014956483 763541852 /nfs/dbraw/zinc/54/18/52/763541852.db2.gz VELXZAOAPXXYQT-DLBZAZTESA-N 1 3 344.459 0.960 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001014956483 763541855 /nfs/dbraw/zinc/54/18/55/763541855.db2.gz VELXZAOAPXXYQT-DLBZAZTESA-N 1 3 344.459 0.960 20 0 ECADHO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001014956483 763541857 /nfs/dbraw/zinc/54/18/57/763541857.db2.gz VELXZAOAPXXYQT-DLBZAZTESA-N 1 3 344.459 0.960 20 0 ECADHO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001014956483 763541862 /nfs/dbraw/zinc/54/18/62/763541862.db2.gz VELXZAOAPXXYQT-DLBZAZTESA-N 1 3 344.459 0.960 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1)N(C)C ZINC000995148038 763744748 /nfs/dbraw/zinc/74/47/48/763744748.db2.gz OUCHJFHXYCFWAT-HOTGVXAUSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1)N(C)C ZINC000995148038 763744753 /nfs/dbraw/zinc/74/47/53/763744753.db2.gz OUCHJFHXYCFWAT-HOTGVXAUSA-N 1 3 338.496 0.774 20 0 ECADHO CN1CC[C@H]([NH+]2CCC3(CCN(C(=O)CN4CCCC4)C3)CC2)C1=O ZINC001040938758 763806599 /nfs/dbraw/zinc/80/65/99/763806599.db2.gz IPIRIJMKXPROHA-INIZCTEOSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001060407737 764655308 /nfs/dbraw/zinc/65/53/08/764655308.db2.gz XQXNZSSRXZZCEG-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](F)CCN1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553394 764675784 /nfs/dbraw/zinc/67/57/84/764675784.db2.gz CZRLWSRRGCTRRO-KBMXLJTQSA-N 1 3 329.460 0.970 20 0 ECADHO CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047592386 764807504 /nfs/dbraw/zinc/80/75/04/764807504.db2.gz NAOCCFFYWPJAHX-IRXDYDNUSA-N 1 3 341.471 0.972 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001052661025 764953844 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COCCN1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001073672492 786932859 /nfs/dbraw/zinc/93/28/59/786932859.db2.gz MZDWBUFFQAXPMS-IAGOWNOFSA-N 1 3 341.496 0.960 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CN(CCCO)CCCO2)cc1 ZINC001073821577 787268057 /nfs/dbraw/zinc/26/80/57/787268057.db2.gz MTIOMSXSIZHWPM-GOSISDBHSA-N 1 3 349.475 0.951 20 0 ECADHO C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001073898958 787473123 /nfs/dbraw/zinc/47/31/23/787473123.db2.gz HOIOKLCJHXPIFJ-DOTOQJQBSA-N 1 3 349.475 0.950 20 0 ECADHO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001073898958 787473126 /nfs/dbraw/zinc/47/31/26/787473126.db2.gz HOIOKLCJHXPIFJ-DOTOQJQBSA-N 1 3 349.475 0.950 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@H]2CCCN(C)C2=O)CCN1C(=O)CN(C)C1CCC1 ZINC001074687834 787599262 /nfs/dbraw/zinc/59/92/62/787599262.db2.gz WFCVLUPJEKVEIJ-BPUTZDHNSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)[C@@H]1C ZINC001074877902 788477030 /nfs/dbraw/zinc/47/70/30/788477030.db2.gz RLZPZBROUGLLAA-ZOBUZTSGSA-N 1 3 346.475 0.949 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@H+](CCN2CCNC2=O)C3)CCC1 ZINC001072811673 788859722 /nfs/dbraw/zinc/85/97/22/788859722.db2.gz AYCGOEDEUGZCQE-UHFFFAOYSA-N 1 3 349.479 0.030 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@@H+](CCN2CCNC2=O)C3)CCC1 ZINC001072811673 788859730 /nfs/dbraw/zinc/85/97/30/788859730.db2.gz AYCGOEDEUGZCQE-UHFFFAOYSA-N 1 3 349.479 0.030 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001075136903 788964550 /nfs/dbraw/zinc/96/45/50/788964550.db2.gz JHCHWWBCBGQTFZ-KBPBESRZSA-N 1 3 347.463 0.790 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001075155643 788993676 /nfs/dbraw/zinc/99/36/76/788993676.db2.gz LIZYFEUXTRWEDE-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001075169555 789017764 /nfs/dbraw/zinc/01/77/64/789017764.db2.gz LGKDGGNURZYFNR-BASYENTBSA-N 1 3 338.496 0.535 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCCN(C)C2=O)C3)C1 ZINC001072983433 789219034 /nfs/dbraw/zinc/21/90/34/789219034.db2.gz WFVLHKXQCLTQEA-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCCN(C)C2=O)C3)C1 ZINC001072983433 789219037 /nfs/dbraw/zinc/21/90/37/789219037.db2.gz WFVLHKXQCLTQEA-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCO[C@@H]2CC2(F)F)C3)C1 ZINC001073425691 789822453 /nfs/dbraw/zinc/82/24/53/789822453.db2.gz DXZCOMSPJMUYEY-UONOGXRCSA-N 1 3 343.418 0.897 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCO[C@@H]2CC2(F)F)C3)C1 ZINC001073425691 789822454 /nfs/dbraw/zinc/82/24/54/789822454.db2.gz DXZCOMSPJMUYEY-UONOGXRCSA-N 1 3 343.418 0.897 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069931846 790204753 /nfs/dbraw/zinc/20/47/53/790204753.db2.gz NGRXAYMCJQUFQU-HZMVEIRTSA-N 1 3 346.479 0.760 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069931846 790204757 /nfs/dbraw/zinc/20/47/57/790204757.db2.gz NGRXAYMCJQUFQU-HZMVEIRTSA-N 1 3 346.479 0.760 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)N(C)C ZINC001267458581 837445878 /nfs/dbraw/zinc/44/58/78/837445878.db2.gz HWHLPCYRNYIQKM-GJZGRUSLSA-N 1 3 347.525 0.445 20 0 ECADHO CN(CCNCC(=O)N1CCCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266701667 836167060 /nfs/dbraw/zinc/16/70/60/836167060.db2.gz AIDJWDQNICPDIW-INIZCTEOSA-N 1 3 336.480 0.389 20 0 ECADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267012564 836614131 /nfs/dbraw/zinc/61/41/31/836614131.db2.gz UDECILRKAIHFIK-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267012564 836614133 /nfs/dbraw/zinc/61/41/33/836614133.db2.gz UDECILRKAIHFIK-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO COCCOCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001267597734 837903897 /nfs/dbraw/zinc/90/38/97/837903897.db2.gz HGRQILJQMOIHRF-KRWDZBQOSA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001267597734 837903904 /nfs/dbraw/zinc/90/39/04/837903904.db2.gz HGRQILJQMOIHRF-KRWDZBQOSA-N 1 3 341.496 0.914 20 0 ECADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001408693395 838008254 /nfs/dbraw/zinc/00/82/54/838008254.db2.gz BGELJRXKJGWRAC-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414766174 282092986 /nfs/dbraw/zinc/09/29/86/282092986.db2.gz DGAQSQUCPFPKBP-INIZCTEOSA-N 1 3 348.447 0.653 20 0 ECADHO CN(C)Cc1ccccc1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354678631 299094050 /nfs/dbraw/zinc/09/40/50/299094050.db2.gz PUNGLNGMUSFCKM-MRXNPFEDSA-N 1 3 332.448 0.623 20 0 ECADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000426773736 210162922 /nfs/dbraw/zinc/16/29/22/210162922.db2.gz QPPQZGVJYBXWNY-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000426773736 210162926 /nfs/dbraw/zinc/16/29/26/210162926.db2.gz QPPQZGVJYBXWNY-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CN(C)C(=O)CCN1CCC([NH2+]Cc2cnc(N(C)C)n2C)CC1 ZINC000425348893 210046078 /nfs/dbraw/zinc/04/60/78/210046078.db2.gz KPPXVKBHAXFTGU-UHFFFAOYSA-N 1 3 336.484 0.518 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000419016862 296015330 /nfs/dbraw/zinc/01/53/30/296015330.db2.gz ACVBVACMMVHUIU-RBSFLKMASA-N 1 3 338.496 0.809 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420431959 209365245 /nfs/dbraw/zinc/36/52/45/209365245.db2.gz GPHAIYNRZGXZPJ-RISCZKNCSA-N 1 3 343.497 0.338 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420431620 209365160 /nfs/dbraw/zinc/36/51/60/209365160.db2.gz GBPSFEUXHGWLBV-FZMZJTMJSA-N 1 3 343.497 0.480 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000420411389 209362376 /nfs/dbraw/zinc/36/23/76/209362376.db2.gz BXCUSHWGYFQGTK-AWEZNQCLSA-N 1 3 343.497 0.339 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420207310 209340906 /nfs/dbraw/zinc/34/09/06/209340906.db2.gz QIEHVPZDVHOMMI-QBPKDAKJSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000420115918 209310452 /nfs/dbraw/zinc/31/04/52/209310452.db2.gz GUFSVYIIUPYKCU-ZDUSSCGKSA-N 1 3 332.448 0.875 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000420097924 209304498 /nfs/dbraw/zinc/30/44/98/209304498.db2.gz CSZHPGGUKDLZOF-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)C2CCCC2)[C@@H](C)C1 ZINC000420095159 209304608 /nfs/dbraw/zinc/30/46/08/209304608.db2.gz YMEORZKMLXXNRQ-IMJJTQAJSA-N 1 3 338.496 0.809 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)C2CCCC2)[C@@H](C)C1 ZINC000420095159 209304610 /nfs/dbraw/zinc/30/46/10/209304610.db2.gz YMEORZKMLXXNRQ-IMJJTQAJSA-N 1 3 338.496 0.809 20 0 ECADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420079338 209300327 /nfs/dbraw/zinc/30/03/27/209300327.db2.gz PYGUXRJKPZXARC-UHFFFAOYSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000420043612 209286790 /nfs/dbraw/zinc/28/67/90/209286790.db2.gz SAEIOXRRGKCJLI-QWHCGFSZSA-N 1 3 340.468 0.158 20 0 ECADHO C[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)CN1CCN(C)CC1 ZINC000073569877 216397257 /nfs/dbraw/zinc/39/72/57/216397257.db2.gz XGHUYFUHUJFZIC-OAHLLOKOSA-N 1 3 337.512 0.796 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419973244 209265863 /nfs/dbraw/zinc/26/58/63/209265863.db2.gz HKJNLJFWSXGTOI-XHSDSOJGSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C(C)C)o1 ZINC000419970754 209264468 /nfs/dbraw/zinc/26/44/68/209264468.db2.gz CHYDXFMVFUPPRG-HNNXBMFYSA-N 1 3 338.452 0.578 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419969255 209264375 /nfs/dbraw/zinc/26/43/75/209264375.db2.gz ROPCZHAOTMPILI-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCC1 ZINC000419968564 209264139 /nfs/dbraw/zinc/26/41/39/209264139.db2.gz QGLFOCBYCXUTMV-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000419935001 209252949 /nfs/dbraw/zinc/25/29/49/209252949.db2.gz RNCZVYNRUWSHSS-OIISXLGYSA-N 1 3 346.475 0.991 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000419935001 209252952 /nfs/dbraw/zinc/25/29/52/209252952.db2.gz RNCZVYNRUWSHSS-OIISXLGYSA-N 1 3 346.475 0.991 20 0 ECADHO N[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000419925479 209250388 /nfs/dbraw/zinc/25/03/88/209250388.db2.gz ITSVQQQLLYMVCW-DOTOQJQBSA-N 1 3 344.459 0.747 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CCSC1 ZINC000419590247 209134650 /nfs/dbraw/zinc/13/46/50/209134650.db2.gz TZBGBSVMMCHGAT-CJNGLKHVSA-N 1 3 342.509 0.046 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838307 209219446 /nfs/dbraw/zinc/21/94/46/209219446.db2.gz FLDQLWLPGOYNOB-CQSZACIVSA-N 1 3 338.477 0.507 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCCC[NH3+] ZINC000419839345 209218654 /nfs/dbraw/zinc/21/86/54/209218654.db2.gz HETLZMXRDXTWSS-UHFFFAOYSA-N 1 3 338.427 0.571 20 0 ECADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000419764428 209200474 /nfs/dbraw/zinc/20/04/74/209200474.db2.gz PIBFLWRGDMSONZ-IRXDYDNUSA-N 1 3 344.459 0.491 20 0 ECADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000419729064 209190729 /nfs/dbraw/zinc/19/07/29/209190729.db2.gz ZPXUDABRUABBJQ-MRXNPFEDSA-N 1 3 344.459 0.717 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@H](CN)C1CCCC1)C(C)C ZINC000419794993 209205644 /nfs/dbraw/zinc/20/56/44/209205644.db2.gz IJRIUAFRUAVCJQ-OAHLLOKOSA-N 1 3 326.485 0.855 20 0 ECADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262514149 245013248 /nfs/dbraw/zinc/01/32/48/245013248.db2.gz MQASVAOWMBFFMF-QZTJIDSGSA-N 1 3 344.459 0.880 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419703612 209178983 /nfs/dbraw/zinc/17/89/83/209178983.db2.gz WQAMXPNEMQZFGW-HRCADAONSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419703909 209178638 /nfs/dbraw/zinc/17/86/38/209178638.db2.gz XFBFCGOSSACBGR-BZUAXINKSA-N 1 3 336.480 0.291 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419667071 209163651 /nfs/dbraw/zinc/16/36/51/209163651.db2.gz RRJRCSNBCIQXBB-AWEZNQCLSA-N 1 3 326.485 0.714 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000419656728 209160448 /nfs/dbraw/zinc/16/04/48/209160448.db2.gz IQZHYJYSONFKTF-OIISXLGYSA-N 1 3 344.459 0.715 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419657306 209160067 /nfs/dbraw/zinc/16/00/67/209160067.db2.gz JPDMMIICVYSUPO-DJIMGWMZSA-N 1 3 344.459 0.634 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419641025 209153127 /nfs/dbraw/zinc/15/31/27/209153127.db2.gz KTYWYEGMWQYGAL-CJNGLKHVSA-N 1 3 332.448 0.560 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)[C@@H]1C[NH3+] ZINC000419584876 209133676 /nfs/dbraw/zinc/13/36/76/209133676.db2.gz MNYQZJJOMMIBKI-IOASZLSFSA-N 1 3 342.509 0.126 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C(C)(C)C[NH+](C)C ZINC000419536719 209119873 /nfs/dbraw/zinc/11/98/73/209119873.db2.gz BHJLGDYOPMJECB-XQQFMLRXSA-N 1 3 342.484 0.308 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000356959765 299485843 /nfs/dbraw/zinc/48/58/43/299485843.db2.gz OOPAIMROHZZVTP-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000339576848 297361208 /nfs/dbraw/zinc/36/12/08/297361208.db2.gz SVWJNTPDWOXYFP-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000339578255 297361490 /nfs/dbraw/zinc/36/14/90/297361490.db2.gz ZATXHQRBWRTQNO-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417573573 285034320 /nfs/dbraw/zinc/03/43/20/285034320.db2.gz XBRULQWPHOTZTR-HOCLYGCPSA-N 1 3 328.457 0.165 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)NC(=O)NC)[C@H](C)C1 ZINC000411550902 208114522 /nfs/dbraw/zinc/11/45/22/208114522.db2.gz LOSLGUZQOKTAQR-ZIAGYGMSSA-N 1 3 328.457 0.559 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)NC(=O)NC)[C@H](C)C1 ZINC000411550902 208114527 /nfs/dbraw/zinc/11/45/27/208114527.db2.gz LOSLGUZQOKTAQR-ZIAGYGMSSA-N 1 3 328.457 0.559 20 0 ECADHO COCC[NH2+]CCNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418504194 285078619 /nfs/dbraw/zinc/07/86/19/285078619.db2.gz AFAKIEXLMPWVPI-OAHLLOKOSA-N 1 3 341.500 0.032 20 0 ECADHO [NH3+]CC1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000430609410 210388871 /nfs/dbraw/zinc/38/88/71/210388871.db2.gz HPZPOHNPJPFGLB-UHFFFAOYSA-N 1 3 334.420 0.235 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)CC[C@@H]1[NH3+] ZINC000415463738 208532799 /nfs/dbraw/zinc/53/27/99/208532799.db2.gz QIBHHCMIQDXMSO-CJNGLKHVSA-N 1 3 348.447 0.761 20 0 ECADHO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCNc2ccncc2)CC1 ZINC000496654890 255118217 /nfs/dbraw/zinc/11/82/17/255118217.db2.gz LHOMOWJPNOMCCN-UHFFFAOYSA-N 1 3 348.451 0.992 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C(=O)N(C)C ZINC000246111356 285278715 /nfs/dbraw/zinc/27/87/15/285278715.db2.gz HUJIDJJQOKUFSI-CABCVRRESA-N 1 3 341.500 0.521 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C(=O)N(C)C ZINC000246111356 285278718 /nfs/dbraw/zinc/27/87/18/285278718.db2.gz HUJIDJJQOKUFSI-CABCVRRESA-N 1 3 341.500 0.521 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419172171 209012472 /nfs/dbraw/zinc/01/24/72/209012472.db2.gz QQNCKAFSGJCNPT-ARFHVFGLSA-N 1 3 338.496 0.953 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419194826 209019440 /nfs/dbraw/zinc/01/94/40/209019440.db2.gz UGDPHFPCOCJXCM-HNNXBMFYSA-N 1 3 346.475 0.929 20 0 ECADHO CN(C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)C1CC[NH2+]CC1 ZINC000419232288 209035699 /nfs/dbraw/zinc/03/56/99/209035699.db2.gz UHAJERHBUNQHAO-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC[NH2+]1 ZINC000419235049 209037036 /nfs/dbraw/zinc/03/70/36/209037036.db2.gz YMRLUAIQEGXLQE-FVQBIDKESA-N 1 3 336.480 0.624 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000419336753 209062988 /nfs/dbraw/zinc/06/29/88/209062988.db2.gz ANLJKEZWQWZFQB-IRXDYDNUSA-N 1 3 346.475 0.615 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000419415146 209088563 /nfs/dbraw/zinc/08/85/63/209088563.db2.gz USYIWQQTPZFQLR-OAHLLOKOSA-N 1 3 338.496 0.683 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000417752282 285318518 /nfs/dbraw/zinc/31/85/18/285318518.db2.gz QJQNBOODLRJTGA-INIZCTEOSA-N 1 3 339.528 0.949 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)Cc1ccccc1 ZINC000419367199 209071603 /nfs/dbraw/zinc/07/16/03/209071603.db2.gz CXAFBIJUUDXMOY-KRWDZBQOSA-N 1 3 346.475 0.391 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+](CCOC)CC2)C1(C)C ZINC000444170337 286306332 /nfs/dbraw/zinc/30/63/32/286306332.db2.gz MZKDCAHMSBSLMA-RHSMWYFYSA-N 1 3 327.469 0.746 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-n2cccn2)ccn1 ZINC000134850826 296676363 /nfs/dbraw/zinc/67/63/63/296676363.db2.gz TVBOVNBXCYVDJW-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419073773 287006895 /nfs/dbraw/zinc/00/68/95/287006895.db2.gz CPHRTWLPKBOBOH-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1CO ZINC000190423542 165020541 /nfs/dbraw/zinc/02/05/41/165020541.db2.gz MHDRNDJEVUMTDC-RHSMWYFYSA-N 1 3 338.496 0.957 20 0 ECADHO CC(C)COC[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519446 165083091 /nfs/dbraw/zinc/08/30/91/165083091.db2.gz QEBKOLNMBAGLEJ-MRXNPFEDSA-N 1 3 329.485 0.410 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CC(C)C[C@H]1C(=O)NCC[N@H+](C)CC ZINC000249404845 165197854 /nfs/dbraw/zinc/19/78/54/165197854.db2.gz CXBFYEBCHFDKTF-HZPDHXFCSA-N 1 3 340.512 0.785 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CC(C)C[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000249404845 165197857 /nfs/dbraw/zinc/19/78/57/165197857.db2.gz CXBFYEBCHFDKTF-HZPDHXFCSA-N 1 3 340.512 0.785 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000261941050 165265067 /nfs/dbraw/zinc/26/50/67/165265067.db2.gz XMJAVPQIYOTVLC-UHFFFAOYSA-N 1 3 327.469 0.844 20 0 ECADHO O=C(C1C[NH2+]C1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000262300979 165325751 /nfs/dbraw/zinc/32/57/51/165325751.db2.gz ZSJZIEZAZOZUNV-INIZCTEOSA-N 1 3 343.475 0.662 20 0 ECADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262400624 165345205 /nfs/dbraw/zinc/34/52/05/165345205.db2.gz OCSLNDKRKNXHDX-UONOGXRCSA-N 1 3 327.494 0.577 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000262515527 165358016 /nfs/dbraw/zinc/35/80/16/165358016.db2.gz RVMCYENGXSFMNV-REOARJMMSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)[C@@H]1C[NH3+] ZINC000423718835 287323508 /nfs/dbraw/zinc/32/35/08/287323508.db2.gz CGWFLOQFRUWYTO-BZUAXINKSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1CN ZINC000419531806 287324944 /nfs/dbraw/zinc/32/49/44/287324944.db2.gz LMGBXYGYYQWZSK-PRLABOORSA-N 1 3 336.480 0.705 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccnn1C ZINC000173949153 263149505 /nfs/dbraw/zinc/14/95/05/263149505.db2.gz LMFAMGOKKQGAGS-MRXNPFEDSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccnn1C ZINC000173949153 263149506 /nfs/dbraw/zinc/14/95/06/263149506.db2.gz LMFAMGOKKQGAGS-MRXNPFEDSA-N 1 3 336.484 0.978 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@]1(N)C[C@@H](OCC)C1(C)C ZINC000188254002 263161311 /nfs/dbraw/zinc/16/13/11/263161311.db2.gz ADGDSZPLVYLYBO-CPUCHLNUSA-N 1 3 329.485 0.992 20 0 ECADHO C[C@H]1COCCN1CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000192753950 263166225 /nfs/dbraw/zinc/16/62/25/263166225.db2.gz LDNXTGIRGRKYBE-HNNXBMFYSA-N 1 3 326.485 0.097 20 0 ECADHO CCn1cc(C(=O)C(=O)N(CCCN(C)C)CCC[NH+](C)C)cn1 ZINC000270419750 263241986 /nfs/dbraw/zinc/24/19/86/263241986.db2.gz KUVIRSGVFJCXRB-UHFFFAOYSA-N 1 3 337.468 0.818 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410439615 276247346 /nfs/dbraw/zinc/24/73/46/276247346.db2.gz WAXJGAJFJJTQOJ-INIZCTEOSA-N 1 3 338.496 0.731 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410439615 276247351 /nfs/dbraw/zinc/24/73/51/276247351.db2.gz WAXJGAJFJJTQOJ-INIZCTEOSA-N 1 3 338.496 0.731 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419027225 276265955 /nfs/dbraw/zinc/26/59/55/276265955.db2.gz OCGDFZBTVWOHGQ-QLFBSQMISA-N 1 3 326.485 0.585 20 0 ECADHO CNC(=O)[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000245686496 277007231 /nfs/dbraw/zinc/00/72/31/277007231.db2.gz NBYCHSOIFKFCBR-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCCN(CC[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000245686496 277007234 /nfs/dbraw/zinc/00/72/34/277007234.db2.gz NBYCHSOIFKFCBR-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCCN([C@H](C)CC[N@@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000245686496 277007236 /nfs/dbraw/zinc/00/72/36/277007236.db2.gz NBYCHSOIFKFCBR-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCCN([C@H](C)CC[N@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000245686496 277007237 /nfs/dbraw/zinc/00/72/37/277007237.db2.gz NBYCHSOIFKFCBR-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCCN1C ZINC000415952224 278084792 /nfs/dbraw/zinc/08/47/92/278084792.db2.gz KJKUJKUAOALIFN-OCCSQVGLSA-N 1 3 333.440 0.490 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N(C)Cc1ccccc1 ZINC000418937439 278268700 /nfs/dbraw/zinc/26/87/00/278268700.db2.gz CNDVXXVZTBEFJS-HLLBOEOZSA-N 1 3 346.475 0.880 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1CN ZINC000418845924 278472970 /nfs/dbraw/zinc/47/29/70/278472970.db2.gz PXAMZMMYLDGBCO-UKRRQHHQSA-N 1 3 338.496 0.951 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419143392 278976091 /nfs/dbraw/zinc/97/60/91/278976091.db2.gz DFMJHNDBQDCGIH-CABCVRRESA-N 1 3 326.485 0.713 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418592262 279087571 /nfs/dbraw/zinc/08/75/71/279087571.db2.gz VBXCIRWIKWYMGR-LSDHHAIUSA-N 1 3 339.484 0.452 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000419947763 279135405 /nfs/dbraw/zinc/13/54/05/279135405.db2.gz DIIGUUHUYMSNNW-QLFBSQMISA-N 1 3 326.485 0.855 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000422308494 279279062 /nfs/dbraw/zinc/27/90/62/279279062.db2.gz QHCCNTGEPZJEAA-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000422308494 279279064 /nfs/dbraw/zinc/27/90/64/279279064.db2.gz QHCCNTGEPZJEAA-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261880059 279336404 /nfs/dbraw/zinc/33/64/04/279336404.db2.gz PBHDNZBNSOMLQZ-OWCLPIDISA-N 1 3 338.496 0.822 20 0 ECADHO CC1(C)COCCN1CCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433164792 281284693 /nfs/dbraw/zinc/28/46/93/281284693.db2.gz AKIRGSRVCCOBRH-UHFFFAOYSA-N 1 3 326.485 0.417 20 0 ECADHO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328850 289249655 /nfs/dbraw/zinc/24/96/55/289249655.db2.gz NCLZOCSBCYBGIH-QLFBSQMISA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC[N@@H+]1C ZINC000343649453 437616072 /nfs/dbraw/zinc/61/60/72/437616072.db2.gz YRXUJQQPDPOZOO-KFWWJZLASA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC[N@H+]1C ZINC000343649453 437616075 /nfs/dbraw/zinc/61/60/75/437616075.db2.gz YRXUJQQPDPOZOO-KFWWJZLASA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000332168926 297011385 /nfs/dbraw/zinc/01/13/85/297011385.db2.gz RNTYZSZXWYZAAA-FVQBIDKESA-N 1 3 336.480 0.705 20 0 ECADHO C[NH+](C)CCCOc1cnccc1CNC(=O)NCCN1CCC1 ZINC000359736390 299885969 /nfs/dbraw/zinc/88/59/69/299885969.db2.gz CLTZBZFWUMEQQF-UHFFFAOYSA-N 1 3 335.452 0.917 20 0 ECADHO NC[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000420069288 295262084 /nfs/dbraw/zinc/26/20/84/295262084.db2.gz VQNOEKLPZCVLNP-CWRNSKLLSA-N 1 3 334.464 0.315 20 0 ECADHO NC[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000420069288 295262085 /nfs/dbraw/zinc/26/20/85/295262085.db2.gz VQNOEKLPZCVLNP-CWRNSKLLSA-N 1 3 334.464 0.315 20 0 ECADHO C[C@H](CN1CC[C@@]2(CNC(=O)C2)C1)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000333077894 297107332 /nfs/dbraw/zinc/10/73/32/297107332.db2.gz WJRUHIFMHUWMFK-GJWQZFMSSA-N 1 3 334.464 0.047 20 0 ECADHO C[C@H](CN1CC[C@@]2(CNC(=O)C2)C1)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000333077894 297107333 /nfs/dbraw/zinc/10/73/33/297107333.db2.gz WJRUHIFMHUWMFK-GJWQZFMSSA-N 1 3 334.464 0.047 20 0 ECADHO C[C@@H](CN1CC[C@]2(CNC(=O)C2)C1)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000333077894 297107334 /nfs/dbraw/zinc/10/73/34/297107334.db2.gz WJRUHIFMHUWMFK-GJWQZFMSSA-N 1 3 334.464 0.047 20 0 ECADHO C[C@@H](CN1CC[C@]2(CNC(=O)C2)C1)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000333077894 297107335 /nfs/dbraw/zinc/10/73/35/297107335.db2.gz WJRUHIFMHUWMFK-GJWQZFMSSA-N 1 3 334.464 0.047 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000333372962 297129160 /nfs/dbraw/zinc/12/91/60/297129160.db2.gz FXJLCPYXOCTASF-DLBZAZTESA-N 1 3 348.495 0.977 20 0 ECADHO CN1CC[C@H]2CCN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)[C@@H]2C1 ZINC000333401444 297130818 /nfs/dbraw/zinc/13/08/18/297130818.db2.gz YTKAAIHTKZMTBU-DZGCQCFKSA-N 1 3 345.451 0.444 20 0 ECADHO C[C@H]1CN(CC2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)C[C@H](C)O1 ZINC000333822771 297150792 /nfs/dbraw/zinc/15/07/92/297150792.db2.gz LCYWLHCAXQHVNU-XSIBGMEISA-N 1 3 336.480 0.735 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000337129023 297181058 /nfs/dbraw/zinc/18/10/58/297181058.db2.gz IOHBQAXRGGNJTI-IRXDYDNUSA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000337129023 297181060 /nfs/dbraw/zinc/18/10/60/297181060.db2.gz IOHBQAXRGGNJTI-IRXDYDNUSA-N 1 3 337.512 0.938 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000339644896 297368285 /nfs/dbraw/zinc/36/82/85/297368285.db2.gz OLXISXKXWJCZMQ-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000339740282 297376102 /nfs/dbraw/zinc/37/61/02/297376102.db2.gz KMHTUHCVUXMZMQ-INIZCTEOSA-N 1 3 332.448 0.527 20 0 ECADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000263315509 297909685 /nfs/dbraw/zinc/90/96/85/297909685.db2.gz ZKBNYNYKGRIFBL-MAUKXSAKSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@H]1[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)CCC[N@@H+]1C ZINC000345740461 298189450 /nfs/dbraw/zinc/18/94/50/298189450.db2.gz HILYEAYCNKPUGK-JKSUJKDBSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H]1[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)CCC[N@H+]1C ZINC000345740461 298189453 /nfs/dbraw/zinc/18/94/53/298189453.db2.gz HILYEAYCNKPUGK-JKSUJKDBSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)C1=CC[N@H+](C)CC1 ZINC000346109794 298228013 /nfs/dbraw/zinc/22/80/13/298228013.db2.gz MTNGIEFOMUUHGH-IPYPFGDCSA-N 1 3 334.464 0.494 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000346109794 298228016 /nfs/dbraw/zinc/22/80/16/298228016.db2.gz MTNGIEFOMUUHGH-IPYPFGDCSA-N 1 3 334.464 0.494 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@H]1CC(C)C[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346167554 298232111 /nfs/dbraw/zinc/23/21/11/298232111.db2.gz FZIBBNPRNLBWFC-WCVJEAGWSA-N 1 3 340.512 0.781 20 0 ECADHO CN(C(=O)CCOC1C[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000349030155 298645746 /nfs/dbraw/zinc/64/57/46/298645746.db2.gz RUWCQNOWEOKLMU-UHFFFAOYSA-N 1 3 346.475 0.925 20 0 ECADHO CC(C)c1ccc([C@@H](N)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000351520926 298774028 /nfs/dbraw/zinc/77/40/28/298774028.db2.gz IJUGTGHINVTRLW-JKSUJKDBSA-N 1 3 332.448 0.794 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000351558691 298787184 /nfs/dbraw/zinc/78/71/84/298787184.db2.gz NBYCTFCIFGVZEE-HNNXBMFYSA-N 1 3 334.420 0.434 20 0 ECADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352758023 298973285 /nfs/dbraw/zinc/97/32/85/298973285.db2.gz XLSWDPOQIBIMJN-HOTGVXAUSA-N 1 3 331.526 0.959 20 0 ECADHO CO[C@@H](CN)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000353437039 299048531 /nfs/dbraw/zinc/04/85/31/299048531.db2.gz YFXZNTWZZLJLJQ-HOCLYGCPSA-N 1 3 335.448 0.976 20 0 ECADHO CO[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000353453838 299050170 /nfs/dbraw/zinc/05/01/70/299050170.db2.gz SJUNXPYVPOTOOU-CVEARBPZSA-N 1 3 348.447 0.765 20 0 ECADHO CCN1CCN(CCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362565431 300199112 /nfs/dbraw/zinc/19/91/12/300199112.db2.gz UFBKZWPOEMZTBP-AWEZNQCLSA-N 1 3 334.468 0.244 20 0 ECADHO C[C@H](CNC(=O)N1CCCN(CC(C)(C)O)CC1)[N@H+](C)C1CC1 ZINC000364669075 300377536 /nfs/dbraw/zinc/37/75/36/300377536.db2.gz XDKILTCMYZNXCF-CQSZACIVSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@H](CNC(=O)N1CCCN(CC(C)(C)O)CC1)[N@@H+](C)C1CC1 ZINC000364669075 300377538 /nfs/dbraw/zinc/37/75/38/300377538.db2.gz XDKILTCMYZNXCF-CQSZACIVSA-N 1 3 326.485 0.957 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000073904928 436096830 /nfs/dbraw/zinc/09/68/30/436096830.db2.gz SSEMPDWNDMAPFX-CVEARBPZSA-N 1 3 327.517 0.899 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074250620 436116153 /nfs/dbraw/zinc/11/61/53/436116153.db2.gz COWPTSKVMKIABS-INIZCTEOSA-N 1 3 338.496 0.635 20 0 ECADHO CN1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345365 436122825 /nfs/dbraw/zinc/12/28/25/436122825.db2.gz GECJZLDXFBSUCJ-CABCVRRESA-N 1 3 339.484 0.215 20 0 ECADHO CN1CCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345365 436122831 /nfs/dbraw/zinc/12/28/31/436122831.db2.gz GECJZLDXFBSUCJ-CABCVRRESA-N 1 3 339.484 0.215 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c1 ZINC000372447137 301002402 /nfs/dbraw/zinc/00/24/02/301002402.db2.gz QZWLHVIUXFSIMA-LPHOPBHVSA-N 1 3 344.459 0.594 20 0 ECADHO Cc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000373041285 301041944 /nfs/dbraw/zinc/04/19/44/301041944.db2.gz ZKXHZQXRTGWUFL-XHDPSFHLSA-N 1 3 332.452 0.724 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000373358869 301061004 /nfs/dbraw/zinc/06/10/04/301061004.db2.gz LYLWBGBVRRWGJC-OAHLLOKOSA-N 1 3 342.484 0.459 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000373358869 301061006 /nfs/dbraw/zinc/06/10/06/301061006.db2.gz LYLWBGBVRRWGJC-OAHLLOKOSA-N 1 3 342.484 0.459 20 0 ECADHO O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@H]1C[C@H](O)CN1 ZINC000377128984 301323594 /nfs/dbraw/zinc/32/35/94/301323594.db2.gz SEFIAXYXCYOZOD-KKUMJFAQSA-N 1 3 333.388 0.257 20 0 ECADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000377807572 301377536 /nfs/dbraw/zinc/37/75/36/301377536.db2.gz SOLCXSTVMFGASF-NVXWUHKLSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000077817061 436253672 /nfs/dbraw/zinc/25/36/72/436253672.db2.gz LITGEOUABWATGD-AWEZNQCLSA-N 1 3 348.447 0.633 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000077817061 436253676 /nfs/dbraw/zinc/25/36/76/436253676.db2.gz LITGEOUABWATGD-AWEZNQCLSA-N 1 3 348.447 0.633 20 0 ECADHO CN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H](C(=O)N(C)CC[NH+](C)C)C1 ZINC000080388074 436318619 /nfs/dbraw/zinc/31/86/19/436318619.db2.gz NXWXYBVNGJBUHW-HZPDHXFCSA-N 1 3 340.512 0.833 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000516734864 301677619 /nfs/dbraw/zinc/67/76/19/301677619.db2.gz KMWKVPMAXUAESS-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1Oc2c(cccc2C(=O)N(CCN(C)C)CC[NH+](C)C)NC1=O ZINC000104190635 436557281 /nfs/dbraw/zinc/55/72/81/436557281.db2.gz SOOVSTWYKJWHDR-ZDUSSCGKSA-N 1 3 348.447 0.971 20 0 ECADHO CN1CCC[C@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000108565109 436619435 /nfs/dbraw/zinc/61/94/35/436619435.db2.gz ZFWIGBPZBGOJIE-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCC[C@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000108565109 436619438 /nfs/dbraw/zinc/61/94/38/436619438.db2.gz ZFWIGBPZBGOJIE-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000536595118 302141712 /nfs/dbraw/zinc/14/17/12/302141712.db2.gz MGJCRVRQVVJHDH-RDJZCZTQSA-N 1 3 342.484 0.459 20 0 ECADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000116752634 436651212 /nfs/dbraw/zinc/65/12/12/436651212.db2.gz MHZRXMGLOUDEMX-UHFFFAOYSA-N 1 3 336.436 0.586 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCN1CCCC1=O ZINC000068128292 436735548 /nfs/dbraw/zinc/73/55/48/436735548.db2.gz NXXTWRAKZRZWAR-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCN1CCCC1=O ZINC000068128292 436735550 /nfs/dbraw/zinc/73/55/50/436735550.db2.gz NXXTWRAKZRZWAR-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1NCCc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000237601846 436739151 /nfs/dbraw/zinc/73/91/51/436739151.db2.gz VHCDEXTZRXDHJX-YJBOKZPZSA-N 1 3 330.476 0.873 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000153262166 436753300 /nfs/dbraw/zinc/75/33/00/436753300.db2.gz YJCYCUZFHWHWFL-CYBMUJFWSA-N 1 3 338.456 0.230 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000153262166 436753304 /nfs/dbraw/zinc/75/33/04/436753304.db2.gz YJCYCUZFHWHWFL-CYBMUJFWSA-N 1 3 338.456 0.230 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)N(C)C)[C@H](C)C1)[NH+](C)C ZINC000152095487 436718903 /nfs/dbraw/zinc/71/89/03/436718903.db2.gz JGKMIXGJORFNND-KFWWJZLASA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1)N(C)C ZINC000152095487 436718908 /nfs/dbraw/zinc/71/89/08/436718908.db2.gz JGKMIXGJORFNND-KFWWJZLASA-N 1 3 326.485 0.726 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000154021337 436769398 /nfs/dbraw/zinc/76/93/98/436769398.db2.gz JUEIFPHHXOLMBW-QGZVFWFLSA-N 1 3 337.512 0.894 20 0 ECADHO CC(C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)S(C)(=O)=O ZINC000154630187 436782129 /nfs/dbraw/zinc/78/21/29/436782129.db2.gz CEEIUFMJEKBJDC-RDGKXADDSA-N 1 3 343.493 0.189 20 0 ECADHO CC(C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)S(C)(=O)=O ZINC000154630187 436782132 /nfs/dbraw/zinc/78/21/32/436782132.db2.gz CEEIUFMJEKBJDC-RDGKXADDSA-N 1 3 343.493 0.189 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000246664110 436783066 /nfs/dbraw/zinc/78/30/66/436783066.db2.gz UOMCBXBMTCTAKE-DOTOQJQBSA-N 1 3 328.501 0.966 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000246664110 436783069 /nfs/dbraw/zinc/78/30/69/436783069.db2.gz UOMCBXBMTCTAKE-DOTOQJQBSA-N 1 3 328.501 0.966 20 0 ECADHO CC[N@@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247242598 436792012 /nfs/dbraw/zinc/79/20/12/436792012.db2.gz ZBOLPCCNJKIGAQ-IRXDYDNUSA-N 1 3 332.496 0.919 20 0 ECADHO CC[N@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247242598 436792014 /nfs/dbraw/zinc/79/20/14/436792014.db2.gz ZBOLPCCNJKIGAQ-IRXDYDNUSA-N 1 3 332.496 0.919 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262018667 436902614 /nfs/dbraw/zinc/90/26/14/436902614.db2.gz OPYNPMYKTMQGIB-FRRDWIJNSA-N 1 3 336.402 0.812 20 0 ECADHO CC(C)[NH2+]CCC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000166453064 436937838 /nfs/dbraw/zinc/93/78/38/436937838.db2.gz JHBDGMYLWGCKSU-UHFFFAOYSA-N 1 3 334.464 0.982 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)N(C)C1CC1 ZINC000284081113 437036973 /nfs/dbraw/zinc/03/69/73/437036973.db2.gz LTWCLORFVRWIPK-AWEZNQCLSA-N 1 3 346.475 0.963 20 0 ECADHO NCC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@H]2c2cccc(F)c2)C1 ZINC000414742955 303365912 /nfs/dbraw/zinc/36/59/12/303365912.db2.gz UUQYDOLBXNVJFC-YOEHRIQHSA-N 1 3 334.439 0.969 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000331932074 437182205 /nfs/dbraw/zinc/18/22/05/437182205.db2.gz LKVMNRVIAOGGSC-ZNMIVQPWSA-N 1 3 336.480 0.291 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332004418 437194690 /nfs/dbraw/zinc/19/46/90/437194690.db2.gz WMIZTBMXPQHZAV-JONQDZQNSA-N 1 3 336.480 0.372 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000332004420 437195237 /nfs/dbraw/zinc/19/52/37/437195237.db2.gz WMIZTBMXPQHZAV-VGWMRTNUSA-N 1 3 336.480 0.372 20 0 ECADHO COCCN(C)CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266706712 437232254 /nfs/dbraw/zinc/23/22/54/437232254.db2.gz HSKVAQXMPNDOOG-UHFFFAOYSA-N 1 3 348.491 0.963 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000266799875 437245972 /nfs/dbraw/zinc/24/59/72/437245972.db2.gz CTKPTISEOKDVJQ-UHFFFAOYSA-N 1 3 346.475 0.936 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000180305634 437286852 /nfs/dbraw/zinc/28/68/52/437286852.db2.gz QZHJZOWDZAIRBI-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000180305634 437286856 /nfs/dbraw/zinc/28/68/56/437286856.db2.gz QZHJZOWDZAIRBI-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000289491671 437416314 /nfs/dbraw/zinc/41/63/14/437416314.db2.gz ABWIHTNWKPCKPE-IRXDYDNUSA-N 1 3 346.475 0.982 20 0 ECADHO C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184965181 437421044 /nfs/dbraw/zinc/42/10/44/437421044.db2.gz DKJPHTASQDVXNF-PVAVHDDUSA-N 1 3 346.475 0.991 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000183250964 437381748 /nfs/dbraw/zinc/38/17/48/437381748.db2.gz RJJSZZHBUNRZNF-HZPDHXFCSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000183250964 437381753 /nfs/dbraw/zinc/38/17/53/437381753.db2.gz RJJSZZHBUNRZNF-HZPDHXFCSA-N 1 3 337.512 0.891 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000339584894 437476435 /nfs/dbraw/zinc/47/64/35/437476435.db2.gz MNZGBPZNJRHCDU-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000339584894 437476438 /nfs/dbraw/zinc/47/64/38/437476438.db2.gz MNZGBPZNJRHCDU-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000339668270 437487354 /nfs/dbraw/zinc/48/73/54/437487354.db2.gz NDCYYVOCDQIMLA-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@H+](CCNC(=O)N[C@H](C)CCN1CCN(C)CC1)C1CC1 ZINC000185680902 437447061 /nfs/dbraw/zinc/44/70/61/437447061.db2.gz XWCXGYLGYKRTSN-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CC[N@@H+](CCNC(=O)N[C@H](C)CCN1CCN(C)CC1)C1CC1 ZINC000185680902 437447064 /nfs/dbraw/zinc/44/70/64/437447064.db2.gz XWCXGYLGYKRTSN-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO COC(=O)CNC(=O)CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750352 437449807 /nfs/dbraw/zinc/44/98/07/437449807.db2.gz NPFWDFUYSSJVRQ-KGLIPLIRSA-N 1 3 325.453 0.908 20 0 ECADHO COC(=O)CNC(=O)CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750352 437449811 /nfs/dbraw/zinc/44/98/11/437449811.db2.gz NPFWDFUYSSJVRQ-KGLIPLIRSA-N 1 3 325.453 0.908 20 0 ECADHO COC(=O)CNC(=O)CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185750352 437449815 /nfs/dbraw/zinc/44/98/15/437449815.db2.gz NPFWDFUYSSJVRQ-KGLIPLIRSA-N 1 3 325.453 0.908 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000360161486 437541431 /nfs/dbraw/zinc/54/14/31/437541431.db2.gz IFULXJBOWVQMST-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000360161486 437541435 /nfs/dbraw/zinc/54/14/35/437541435.db2.gz IFULXJBOWVQMST-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000340480807 437661378 /nfs/dbraw/zinc/66/13/78/437661378.db2.gz VGINYNIRLGCCSB-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000340480807 437661380 /nfs/dbraw/zinc/66/13/80/437661380.db2.gz VGINYNIRLGCCSB-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340481167 437662117 /nfs/dbraw/zinc/66/21/17/437662117.db2.gz KBFGLICYOSINDB-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340481167 437662122 /nfs/dbraw/zinc/66/21/22/437662122.db2.gz KBFGLICYOSINDB-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000340490898 437669163 /nfs/dbraw/zinc/66/91/63/437669163.db2.gz SPQDXTSGZLOIDL-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340510695 437679976 /nfs/dbraw/zinc/67/99/76/437679976.db2.gz PDETWUZQGLVFMI-UAGQMJEPSA-N 1 3 348.491 0.672 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340510695 437679981 /nfs/dbraw/zinc/67/99/81/437679981.db2.gz PDETWUZQGLVFMI-UAGQMJEPSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](CNC(=O)NCCC[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000340989538 437770402 /nfs/dbraw/zinc/77/04/02/437770402.db2.gz IGVYOIHKSZOXCT-MRXNPFEDSA-N 1 3 325.501 0.655 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340787462 437733754 /nfs/dbraw/zinc/73/37/54/437733754.db2.gz AFRMLIIBVGDYGL-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340787462 437733759 /nfs/dbraw/zinc/73/37/59/437733759.db2.gz AFRMLIIBVGDYGL-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CC[NH+](C)C ZINC000356087601 437745080 /nfs/dbraw/zinc/74/50/80/437745080.db2.gz IQRLMLGCKUQDAE-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)c(OCCN(C)C)c1 ZINC000415557504 437819351 /nfs/dbraw/zinc/81/93/51/437819351.db2.gz IJRCFVFYHUSMTD-UHFFFAOYSA-N 1 3 348.447 0.872 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000423761095 437826280 /nfs/dbraw/zinc/82/62/80/437826280.db2.gz RFZIKZSHSUSKNF-CRAIPNDOSA-N 1 3 337.464 0.767 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000415597136 437827285 /nfs/dbraw/zinc/82/72/85/437827285.db2.gz TZPNAXHGJXPHAG-GOSISDBHSA-N 1 3 330.432 0.899 20 0 ECADHO C[C@H]1CCN(C)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341151644 437803971 /nfs/dbraw/zinc/80/39/71/437803971.db2.gz ARPCPRSDMYCXKU-GJZGRUSLSA-N 1 3 339.484 0.309 20 0 ECADHO C[C@H]1CCN(C)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000341151644 437803974 /nfs/dbraw/zinc/80/39/74/437803974.db2.gz ARPCPRSDMYCXKU-GJZGRUSLSA-N 1 3 339.484 0.309 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000415488187 437810089 /nfs/dbraw/zinc/81/00/89/437810089.db2.gz SLRPGOPOVHRUKY-CQSZACIVSA-N 1 3 334.420 0.515 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000365183993 437869926 /nfs/dbraw/zinc/86/99/26/437869926.db2.gz YYWIZPVTCQDCRY-CHWSQXEVSA-N 1 3 336.484 0.470 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415688776 437842546 /nfs/dbraw/zinc/84/25/46/437842546.db2.gz WJQJPNWTEHFGJG-ZFWWWQNUSA-N 1 3 332.448 0.986 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000415772404 437856061 /nfs/dbraw/zinc/85/60/61/437856061.db2.gz TZZKIGHRYJELJF-HOCLYGCPSA-N 1 3 330.432 0.897 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000370923525 437859268 /nfs/dbraw/zinc/85/92/68/437859268.db2.gz DUTBISTVGWMDMQ-KRWDZBQOSA-N 1 3 337.468 0.411 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000347696571 437935057 /nfs/dbraw/zinc/93/50/57/437935057.db2.gz DTCFBMLMXNVRFN-IRXDYDNUSA-N 1 3 340.512 0.345 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)COC[C@H]3CCOC3)CC2)CC1 ZINC000365328230 437893274 /nfs/dbraw/zinc/89/32/74/437893274.db2.gz TWDKLTBNHCRHCE-HNNXBMFYSA-N 1 3 339.480 0.714 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000342024068 437945533 /nfs/dbraw/zinc/94/55/33/437945533.db2.gz QNXWARTXXKIVKP-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N(C)C1CC1 ZINC000342086250 437960775 /nfs/dbraw/zinc/96/07/75/437960775.db2.gz MCRMZHIGQLVQIB-WPXLMEDKSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N(C)C1CC1 ZINC000342086250 437960780 /nfs/dbraw/zinc/96/07/80/437960780.db2.gz MCRMZHIGQLVQIB-WPXLMEDKSA-N 1 3 336.480 0.717 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000371657579 437972844 /nfs/dbraw/zinc/97/28/44/437972844.db2.gz IBFSZJJUTMMGCI-SJLPKXTDSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000371657579 437972853 /nfs/dbraw/zinc/97/28/53/437972853.db2.gz IBFSZJJUTMMGCI-SJLPKXTDSA-N 1 3 349.523 0.892 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417015968 438013368 /nfs/dbraw/zinc/01/33/68/438013368.db2.gz HSKWOPBYCKRXNF-INIZCTEOSA-N 1 3 333.480 0.841 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417340567 438041615 /nfs/dbraw/zinc/04/16/15/438041615.db2.gz ANUPPVIWQKPEDU-MRXNPFEDSA-N 1 3 349.479 0.330 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000416986511 438010505 /nfs/dbraw/zinc/01/05/05/438010505.db2.gz ZTHGYZJRERTPCZ-HNNXBMFYSA-N 1 3 325.501 0.844 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000416974009 438011253 /nfs/dbraw/zinc/01/12/53/438011253.db2.gz KPDUAOFGGICZID-OAHLLOKOSA-N 1 3 325.501 0.701 20 0 ECADHO CN(C)[C@]1(CNC(=O)N2CCC(OCCC[NH3+])CC2)CCSC1 ZINC000417835289 438082322 /nfs/dbraw/zinc/08/23/22/438082322.db2.gz UISJAZOKSJYOAN-INIZCTEOSA-N 1 3 344.525 0.963 20 0 ECADHO CCc1ccccc1[C@@H](N)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000417834250 438083669 /nfs/dbraw/zinc/08/36/69/438083669.db2.gz MRBSZSKSJATTKD-HOTGVXAUSA-N 1 3 332.448 0.623 20 0 ECADHO C[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C)CN1 ZINC000417953259 438093595 /nfs/dbraw/zinc/09/35/95/438093595.db2.gz PDGSIJPNSYAMOC-ZIAGYGMSSA-N 1 3 335.452 0.914 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417438064 438051463 /nfs/dbraw/zinc/05/14/63/438051463.db2.gz IODSGCACZVCTJV-HZPDHXFCSA-N 1 3 342.484 0.493 20 0 ECADHO C[C@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H]1C[NH3+] ZINC000418167608 438113540 /nfs/dbraw/zinc/11/35/40/438113540.db2.gz KGKSLMFMIVFIKN-GJZGRUSLSA-N 1 3 325.501 0.639 20 0 ECADHO C[C@@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000418167609 438114629 /nfs/dbraw/zinc/11/46/29/438114629.db2.gz KGKSLMFMIVFIKN-HUUCEWRRSA-N 1 3 325.501 0.639 20 0 ECADHO C[C@@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000418179166 438115895 /nfs/dbraw/zinc/11/58/95/438115895.db2.gz XGRDZSDDKJQHJO-CABCVRRESA-N 1 3 325.501 0.781 20 0 ECADHO C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418748176 438181038 /nfs/dbraw/zinc/18/10/38/438181038.db2.gz KHBGPWFLTHCFIW-ZDUSSCGKSA-N 1 3 334.411 0.736 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000418767895 438184132 /nfs/dbraw/zinc/18/41/32/438184132.db2.gz RGUWBHKBHHXZBX-GOSISDBHSA-N 1 3 347.507 0.972 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)C(=O)NCCN(C)C ZINC000418770116 438184402 /nfs/dbraw/zinc/18/44/02/438184402.db2.gz QMWQZNQRXZOJJG-ZNMIVQPWSA-N 1 3 341.500 0.506 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000358098401 438150535 /nfs/dbraw/zinc/15/05/35/438150535.db2.gz OTLJPTJUOOJDFB-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000358098401 438150541 /nfs/dbraw/zinc/15/05/41/438150541.db2.gz OTLJPTJUOOJDFB-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO [NH3+][C@@H](CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000418492111 438150916 /nfs/dbraw/zinc/15/09/16/438150916.db2.gz UCZVJHAOSVAHQY-FUHWJXTLSA-N 1 3 332.448 0.660 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000358098627 438152214 /nfs/dbraw/zinc/15/22/14/438152214.db2.gz PVUXWVDOMXJNBJ-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000358098627 438152217 /nfs/dbraw/zinc/15/22/17/438152217.db2.gz PVUXWVDOMXJNBJ-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000349434299 438153072 /nfs/dbraw/zinc/15/30/72/438153072.db2.gz PGJYHNWWDAOVJJ-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000349434299 438153076 /nfs/dbraw/zinc/15/30/76/438153076.db2.gz PGJYHNWWDAOVJJ-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H]1CCCCN1CCO ZINC000418587091 438162476 /nfs/dbraw/zinc/16/24/76/438162476.db2.gz QTEANRXHMNIKHU-KRWDZBQOSA-N 1 3 332.448 0.936 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)C(=O)NCCN(C)C ZINC000418599343 438164758 /nfs/dbraw/zinc/16/47/58/438164758.db2.gz JKKRLHRUAYUECF-KFWWJZLASA-N 1 3 341.500 0.519 20 0 ECADHO O=C(NC[C@H]1CCCN1CCCO)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418689980 438173680 /nfs/dbraw/zinc/17/36/80/438173680.db2.gz VVRISKAZVVTJJP-FGTMMUONSA-N 1 3 346.475 0.888 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418854012 438218977 /nfs/dbraw/zinc/21/89/77/438218977.db2.gz SWPSDSSSBDWQPR-INIZCTEOSA-N 1 3 334.464 0.343 20 0 ECADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccnc2)[C@@H]2CCC[C@H]21 ZINC000367611661 438228092 /nfs/dbraw/zinc/22/80/92/438228092.db2.gz CPTLLLYGXAIVTD-HRCADAONSA-N 1 3 338.477 0.822 20 0 ECADHO C[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)CN1CCOCC1 ZINC000433166594 438229019 /nfs/dbraw/zinc/22/90/19/438229019.db2.gz GIUURZHXVHYNAV-HNNXBMFYSA-N 1 3 326.485 0.274 20 0 ECADHO COCCN(C)CCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433325564 438237331 /nfs/dbraw/zinc/23/73/31/438237331.db2.gz HDFHSQCSAOBOKE-OAHLLOKOSA-N 1 3 330.473 0.365 20 0 ECADHO COCCN(C)CCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433325564 438237339 /nfs/dbraw/zinc/23/73/39/438237339.db2.gz HDFHSQCSAOBOKE-OAHLLOKOSA-N 1 3 330.473 0.365 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418818015 438198688 /nfs/dbraw/zinc/19/86/88/438198688.db2.gz NEMQSRSNBCMXKX-GOSISDBHSA-N 1 3 332.448 0.574 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)[C@H]1C[NH3+] ZINC000418829522 438204520 /nfs/dbraw/zinc/20/45/20/438204520.db2.gz HAGTVFLOOBIAGC-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418830218 438204551 /nfs/dbraw/zinc/20/45/51/438204551.db2.gz FOPAJZVPTJCMOH-IAGOWNOFSA-N 1 3 346.475 0.391 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000418937709 438256602 /nfs/dbraw/zinc/25/66/02/438256602.db2.gz OYVKPFQKSMSPSE-GDBMZVCRSA-N 1 3 338.496 0.810 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418950307 438261902 /nfs/dbraw/zinc/26/19/02/438261902.db2.gz QKSGOONYMRHLCU-RDJZCZTQSA-N 1 3 346.475 0.834 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000418958560 438263677 /nfs/dbraw/zinc/26/36/77/438263677.db2.gz GOZRTJDYJBICEM-HNNXBMFYSA-N 1 3 346.475 0.834 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000418981732 438271067 /nfs/dbraw/zinc/27/10/67/438271067.db2.gz GYARXTOKDUOIAM-ULQDDVLXSA-N 1 3 344.459 0.560 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418986451 438273810 /nfs/dbraw/zinc/27/38/10/438273810.db2.gz GPOIRRHSSYOKGE-INIZCTEOSA-N 1 3 334.464 0.854 20 0 ECADHO CN(CCCNC(=O)C(=O)N1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000418990501 438275599 /nfs/dbraw/zinc/27/55/99/438275599.db2.gz CTFGKNJJCMKUNW-UHFFFAOYSA-N 1 3 346.475 0.822 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000351526950 438279330 /nfs/dbraw/zinc/27/93/30/438279330.db2.gz YCAWZEZVZUFSTH-DLBZAZTESA-N 1 3 344.459 0.635 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000419007068 438283584 /nfs/dbraw/zinc/28/35/84/438283584.db2.gz XFHPAOVEGWGIAV-QGZVFWFLSA-N 1 3 346.475 0.822 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419021253 438291245 /nfs/dbraw/zinc/29/12/45/438291245.db2.gz GPRDCOFPDQNLEW-QKPAOTATSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419032669 438296820 /nfs/dbraw/zinc/29/68/20/438296820.db2.gz KERSCFKOXARYIN-ZDUSSCGKSA-N 1 3 342.509 0.318 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H](C)CN1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000419095225 438318537 /nfs/dbraw/zinc/31/85/37/438318537.db2.gz AKSABNQRJKBUBW-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000358864150 438318770 /nfs/dbraw/zinc/31/87/70/438318770.db2.gz JWDFEOMPCYNDLW-YOEHRIQHSA-N 1 3 336.455 0.868 20 0 ECADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419101376 438320970 /nfs/dbraw/zinc/32/09/70/438320970.db2.gz CVDOFZABZCLRDB-DOTOQJQBSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419101377 438321845 /nfs/dbraw/zinc/32/18/45/438321845.db2.gz CVDOFZABZCLRDB-NVXWUHKLSA-N 1 3 346.475 0.881 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1=O ZINC000368385221 438323374 /nfs/dbraw/zinc/32/33/74/438323374.db2.gz MQFJTUDQLPSCPO-HZMVEIRTSA-N 1 3 348.491 0.530 20 0 ECADHO COc1ccc(CN2CCC(CNC(=O)C(=O)NCC[NH3+])CC2)cc1 ZINC000419135540 438338859 /nfs/dbraw/zinc/33/88/59/438338859.db2.gz NCCUCNXCQNLISV-UHFFFAOYSA-N 1 3 348.447 0.098 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419032487 438297319 /nfs/dbraw/zinc/29/73/19/438297319.db2.gz WTLWVFUFFMGFOJ-PMPSAXMXSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419073798 438311645 /nfs/dbraw/zinc/31/16/45/438311645.db2.gz CSFVQQALOTUWNP-BZUAXINKSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCN1C ZINC000420160831 438391226 /nfs/dbraw/zinc/39/12/26/438391226.db2.gz BPGYRZVPXVRUFP-RBSFLKMASA-N 1 3 338.496 0.822 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C1CC1 ZINC000359246816 438391251 /nfs/dbraw/zinc/39/12/51/438391251.db2.gz DKMFPTHYKTWLQH-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C1CC1 ZINC000359246816 438391255 /nfs/dbraw/zinc/39/12/55/438391255.db2.gz DKMFPTHYKTWLQH-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000419160394 438349181 /nfs/dbraw/zinc/34/91/81/438349181.db2.gz HBPQFVFPZZOCCN-INIZCTEOSA-N 1 3 334.464 0.595 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])N1CCC(C)CC1 ZINC000419336315 438353100 /nfs/dbraw/zinc/35/31/00/438353100.db2.gz AAWIBHPXABDNII-HUUCEWRRSA-N 1 3 326.485 0.570 20 0 ECADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419431702 438357330 /nfs/dbraw/zinc/35/73/30/438357330.db2.gz XREFLBKOPRFCIF-OAHLLOKOSA-N 1 3 344.459 0.358 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000419555744 438362597 /nfs/dbraw/zinc/36/25/97/438362597.db2.gz HUGDHYCDOUJZQN-DYEKYZERSA-N 1 3 338.477 0.711 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)[NH+]1CCCCC1 ZINC000419714652 438370278 /nfs/dbraw/zinc/37/02/78/438370278.db2.gz ODUQTWHQPRJVTE-OAGGEKHMSA-N 1 3 338.496 0.953 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419915013 438376788 /nfs/dbraw/zinc/37/67/88/438376788.db2.gz OWTJGTBBCUYOLC-NVXWUHKLSA-N 1 3 346.475 0.993 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419915013 438376796 /nfs/dbraw/zinc/37/67/96/438376796.db2.gz OWTJGTBBCUYOLC-NVXWUHKLSA-N 1 3 346.475 0.993 20 0 ECADHO CN1CC[C@@H]([N@@H+]2CCC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)C1=O ZINC000368764566 438377125 /nfs/dbraw/zinc/37/71/25/438377125.db2.gz HSZQTFMLXDTVDI-LSDHHAIUSA-N 1 3 334.464 0.236 20 0 ECADHO CN1CC[C@@H]([N@H+]2CCC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)C1=O ZINC000368764566 438377130 /nfs/dbraw/zinc/37/71/30/438377130.db2.gz HSZQTFMLXDTVDI-LSDHHAIUSA-N 1 3 334.464 0.236 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420041695 438382962 /nfs/dbraw/zinc/38/29/62/438382962.db2.gz PZFXRTSLHGEZLS-MCIONIFRSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420032507 438384119 /nfs/dbraw/zinc/38/41/19/438384119.db2.gz ICCJZQKRPTVZDU-KBPBESRZSA-N 1 3 342.484 0.262 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)N(C)C1CC1 ZINC000359372481 438421106 /nfs/dbraw/zinc/42/11/06/438421106.db2.gz MLFRSRFLYORVFE-WLYUNCDWSA-N 1 3 338.496 0.822 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000369089218 438421816 /nfs/dbraw/zinc/42/18/16/438421816.db2.gz YNVGCYNFXWJMDP-SJORKVTESA-N 1 3 338.496 0.072 20 0 ECADHO O=C(CC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)N1CCNCC1 ZINC000420363531 438402836 /nfs/dbraw/zinc/40/28/36/438402836.db2.gz PKNGQBNMRREFGM-AWEZNQCLSA-N 1 3 332.452 0.683 20 0 ECADHO O=C(CC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)N1CCNCC1 ZINC000420363531 438402840 /nfs/dbraw/zinc/40/28/40/438402840.db2.gz PKNGQBNMRREFGM-AWEZNQCLSA-N 1 3 332.452 0.683 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000421522800 438489379 /nfs/dbraw/zinc/48/93/79/438489379.db2.gz SJQLLYGUXBFWTH-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000421522800 438489384 /nfs/dbraw/zinc/48/93/84/438489384.db2.gz SJQLLYGUXBFWTH-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000422117165 438522376 /nfs/dbraw/zinc/52/23/76/438522376.db2.gz OUEXFMSMCYGBQN-YJBOKZPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000422117165 438522379 /nfs/dbraw/zinc/52/23/79/438522379.db2.gz OUEXFMSMCYGBQN-YJBOKZPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C[C@@H]21 ZINC000410439607 438584884 /nfs/dbraw/zinc/58/48/84/438584884.db2.gz GJNXHNCYFIFVKX-IKGGRYGDSA-N 1 3 348.491 0.626 20 0 ECADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000422916094 438616910 /nfs/dbraw/zinc/61/69/10/438616910.db2.gz ZXYSXUYVYMMGDV-LVQVYYBASA-N 1 3 327.469 0.759 20 0 ECADHO CCOC(=O)C1([C@H](C)N[C@H]2CCN(C(C)C)C2=O)CC[NH2+]CC1 ZINC000422980576 438624796 /nfs/dbraw/zinc/62/47/96/438624796.db2.gz LULWNEBCSJOCDB-KBPBESRZSA-N 1 3 325.453 0.907 20 0 ECADHO COC[C@@H](CCC[NH3+])N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423046858 438631787 /nfs/dbraw/zinc/63/17/87/438631787.db2.gz GETZPUWWYCYQEM-MSOLQXFVSA-N 1 3 349.475 0.800 20 0 ECADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@H](CC[NH3+])C1 ZINC000443064815 438639027 /nfs/dbraw/zinc/63/90/27/438639027.db2.gz YXYRFQBJZNQKMY-HZPDHXFCSA-N 1 3 346.479 0.575 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000410731433 438645198 /nfs/dbraw/zinc/64/51/98/438645198.db2.gz GRBUXINILFGBEG-ARFHVFGLSA-N 1 3 338.496 0.870 20 0 ECADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423198623 438647676 /nfs/dbraw/zinc/64/76/76/438647676.db2.gz GWNXDMHMSUPNGL-KRWDZBQOSA-N 1 3 346.475 0.569 20 0 ECADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423201597 438648549 /nfs/dbraw/zinc/64/85/49/438648549.db2.gz JAWVQOWDQDBWBP-OAHLLOKOSA-N 1 3 336.411 0.276 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000423220121 438650206 /nfs/dbraw/zinc/65/02/06/438650206.db2.gz XJEXDLPJZGDIHC-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000410808037 438660628 /nfs/dbraw/zinc/66/06/28/438660628.db2.gz JQEYAFSUCLWIDD-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423368338 438666447 /nfs/dbraw/zinc/66/64/47/438666447.db2.gz NCALBMPDMGOLDY-GDBMZVCRSA-N 1 3 348.447 0.380 20 0 ECADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000423374615 438668071 /nfs/dbraw/zinc/66/80/71/438668071.db2.gz CMCJTIBWQDJXGW-RHSMWYFYSA-N 1 3 346.475 0.982 20 0 ECADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000423379036 438669373 /nfs/dbraw/zinc/66/93/73/438669373.db2.gz GGHGHRPQQYKIAU-PBHICJAKSA-N 1 3 346.475 0.982 20 0 ECADHO CC(C)[C@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@H](C)[NH3+] ZINC000423389837 438671022 /nfs/dbraw/zinc/67/10/22/438671022.db2.gz JUEWWQKLKMZIPX-ZNMIVQPWSA-N 1 3 326.485 0.665 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000414906320 438720596 /nfs/dbraw/zinc/72/05/96/438720596.db2.gz CKEFRVDXUWUYCN-ZDUSSCGKSA-N 1 3 348.422 0.963 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000414916934 438720845 /nfs/dbraw/zinc/72/08/45/438720845.db2.gz UOHKYEQSAWUISU-CQSZACIVSA-N 1 3 334.420 0.515 20 0 ECADHO C[N@H+](C[C@H](O)CN[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000574917240 438727775 /nfs/dbraw/zinc/72/77/75/438727775.db2.gz YSMXHDFGMGPVMZ-MISYRCLQSA-N 1 3 347.503 0.914 20 0 ECADHO C[N@@H+](C[C@H](O)CN[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000574917240 438727779 /nfs/dbraw/zinc/72/77/79/438727779.db2.gz YSMXHDFGMGPVMZ-MISYRCLQSA-N 1 3 347.503 0.914 20 0 ECADHO CN(C[C@H](O)C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000574917240 438727783 /nfs/dbraw/zinc/72/77/83/438727783.db2.gz YSMXHDFGMGPVMZ-MISYRCLQSA-N 1 3 347.503 0.914 20 0 ECADHO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000574906173 438728159 /nfs/dbraw/zinc/72/81/59/438728159.db2.gz BRDGGPPYNZZKNB-IAGOWNOFSA-N 1 3 332.448 0.939 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415171251 438734217 /nfs/dbraw/zinc/73/42/17/438734217.db2.gz XUMHTOHDLLWFNZ-UHFFFAOYSA-N 1 3 348.422 0.963 20 0 ECADHO Cc1ccc(NC(=O)NC[C@H]2C[NH2+]CCN2C)c(OCCN(C)C)c1 ZINC000415209208 438738147 /nfs/dbraw/zinc/73/81/47/438738147.db2.gz VRMJQHGILPTXMO-OAHLLOKOSA-N 1 3 349.479 0.961 20 0 ECADHO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCNCC2)CC1 ZINC000576091691 438767868 /nfs/dbraw/zinc/76/78/68/438767868.db2.gz FYAGWKYIUWDVNU-UHFFFAOYSA-N 1 3 345.491 0.939 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000556797113 438788422 /nfs/dbraw/zinc/78/84/22/438788422.db2.gz WKYIQINZTZVNBT-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000457680222 438818799 /nfs/dbraw/zinc/81/87/99/438818799.db2.gz BQEZONHGHTYBTK-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000457680222 438818809 /nfs/dbraw/zinc/81/88/09/438818809.db2.gz BQEZONHGHTYBTK-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]1C[C@@H](CCNC(=O)C(=O)NC2CNC2)C[N@@H+]1Cc1ccccc1 ZINC000577209172 438823625 /nfs/dbraw/zinc/82/36/25/438823625.db2.gz SXWPYNOSBWKBDB-GOEBONIOSA-N 1 3 344.459 0.491 20 0 ECADHO C[C@H]1C[C@@H](CCNC(=O)C(=O)NC2CNC2)C[N@H+]1Cc1ccccc1 ZINC000577209172 438823627 /nfs/dbraw/zinc/82/36/27/438823627.db2.gz SXWPYNOSBWKBDB-GOEBONIOSA-N 1 3 344.459 0.491 20 0 ECADHO C[C@H](CC[NH+](C)C)NC[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000577386960 438836788 /nfs/dbraw/zinc/83/67/88/438836788.db2.gz XBGMBTNEJBJGRR-HIFRSBDPSA-N 1 3 334.420 0.794 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000578175193 438902670 /nfs/dbraw/zinc/90/26/70/438902670.db2.gz NLESQWIPFGAWFC-YJBOKZPZSA-N 1 3 336.480 0.437 20 0 ECADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000577612161 438857887 /nfs/dbraw/zinc/85/78/87/438857887.db2.gz ILAAHOCMRLLTNR-QGZVFWFLSA-N 1 3 340.431 0.901 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000577727581 438865960 /nfs/dbraw/zinc/86/59/60/438865960.db2.gz SBKPQLSLYGJTCS-HNNXBMFYSA-N 1 3 333.480 0.971 20 0 ECADHO O[C@H](CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CCOCC1 ZINC000515416073 438866498 /nfs/dbraw/zinc/86/64/98/438866498.db2.gz HLIGCRHJQGEOHZ-RBUKOAKNSA-N 1 3 349.475 0.036 20 0 ECADHO O[C@H](CNCc1ccccc1C[N@H+]1CC[C@H](O)C1)CN1CCOCC1 ZINC000515416073 438866504 /nfs/dbraw/zinc/86/65/04/438866504.db2.gz HLIGCRHJQGEOHZ-RBUKOAKNSA-N 1 3 349.475 0.036 20 0 ECADHO CS[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1N(C)C ZINC000601380325 438869699 /nfs/dbraw/zinc/86/96/99/438869699.db2.gz TXVPTBYBUXPQSJ-KBPBESRZSA-N 1 3 325.482 0.562 20 0 ECADHO CC(C)C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)N[C@H](C)c1ccccc1 ZINC000515525281 438874016 /nfs/dbraw/zinc/87/40/16/438874016.db2.gz LBNJOTGKFMBZOX-ZBFHGGJFSA-N 1 3 346.475 0.956 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458368554 438876041 /nfs/dbraw/zinc/87/60/41/438876041.db2.gz ODWOJSVMCQLSTI-HOTGVXAUSA-N 1 3 342.484 0.243 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458368554 438876046 /nfs/dbraw/zinc/87/60/46/438876046.db2.gz ODWOJSVMCQLSTI-HOTGVXAUSA-N 1 3 342.484 0.243 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000564935823 438889603 /nfs/dbraw/zinc/88/96/03/438889603.db2.gz CDGPVXGGMWINCE-ZIAGYGMSSA-N 1 3 335.452 0.669 20 0 ECADHO CN1CCC(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000578278319 438910052 /nfs/dbraw/zinc/91/00/52/438910052.db2.gz ZEJWRJWYXFQVSK-UHFFFAOYSA-N 1 3 339.484 0.372 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000516649323 438919509 /nfs/dbraw/zinc/91/95/09/438919509.db2.gz IOACAZSOCMTXAG-GDBMZVCRSA-N 1 3 330.432 0.187 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)CNC2CC[NH+](CC3CC3)CC2)C[C@@H](C)O1 ZINC000516862035 438929588 /nfs/dbraw/zinc/92/95/88/438929588.db2.gz FKUYYQVTFDTCTG-RKVPGOIHSA-N 1 3 325.497 0.921 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCN(CC3CC3)CC2)C[C@@H](C)O1 ZINC000516862035 438929592 /nfs/dbraw/zinc/92/95/92/438929592.db2.gz FKUYYQVTFDTCTG-RKVPGOIHSA-N 1 3 325.497 0.921 20 0 ECADHO COC1([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)CCOCC1 ZINC000517552426 438968386 /nfs/dbraw/zinc/96/83/86/438968386.db2.gz BOISDTHHEXUWFE-OAHLLOKOSA-N 1 3 344.500 0.705 20 0 ECADHO C[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)CN1CCN(C)CC1 ZINC000579004060 438971888 /nfs/dbraw/zinc/97/18/88/438971888.db2.gz XCZNVKFVUGCJEE-OAHLLOKOSA-N 1 3 333.480 0.828 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CCSC1 ZINC000579023355 438974547 /nfs/dbraw/zinc/97/45/47/438974547.db2.gz OASYYNOFKTXHIQ-OAHLLOKOSA-N 1 3 325.482 0.612 20 0 ECADHO COC(=O)[C@H]1CC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000517831329 438980493 /nfs/dbraw/zinc/98/04/93/438980493.db2.gz LHAGNYTXFVWTMG-SHTZXODSSA-N 1 3 327.469 0.918 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000566108984 439006710 /nfs/dbraw/zinc/00/67/10/439006710.db2.gz HXQJMKPYVMHWNO-KSZLIROESA-N 1 3 340.556 0.941 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000566108984 439006714 /nfs/dbraw/zinc/00/67/14/439006714.db2.gz HXQJMKPYVMHWNO-KSZLIROESA-N 1 3 340.556 0.941 20 0 ECADHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000566108984 439006719 /nfs/dbraw/zinc/00/67/19/439006719.db2.gz HXQJMKPYVMHWNO-KSZLIROESA-N 1 3 340.556 0.941 20 0 ECADHO COc1cnccc1N1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000519591749 439043669 /nfs/dbraw/zinc/04/36/69/439043669.db2.gz DEKWZRLTLSDZMU-KGLIPLIRSA-N 1 3 333.436 0.920 20 0 ECADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)Cn1cccn1 ZINC000519646989 439049814 /nfs/dbraw/zinc/04/98/14/439049814.db2.gz FFNIBVCVZCPZCQ-RTBURBONSA-N 1 3 344.459 0.991 20 0 ECADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNC[C@@H](O)Cn1cccn1 ZINC000519646989 439049817 /nfs/dbraw/zinc/04/98/17/439049817.db2.gz FFNIBVCVZCPZCQ-RTBURBONSA-N 1 3 344.459 0.991 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000519538228 439038701 /nfs/dbraw/zinc/03/87/01/439038701.db2.gz HFPCPSFCZMIQTR-GJYPPUQNSA-N 1 3 348.491 0.674 20 0 ECADHO CCN(CCO)CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000580091772 439063806 /nfs/dbraw/zinc/06/38/06/439063806.db2.gz LYHHOCUYIFVLQY-OAHLLOKOSA-N 1 3 329.510 0.634 20 0 ECADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCCC[NH3+])C1 ZINC000580451798 439095267 /nfs/dbraw/zinc/09/52/67/439095267.db2.gz LOWZYGYPXCGKIS-KRWDZBQOSA-N 1 3 346.475 0.617 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000566511540 439067160 /nfs/dbraw/zinc/06/71/60/439067160.db2.gz VCGDIATXWPKFEG-KRWDZBQOSA-N 1 3 344.459 0.288 20 0 ECADHO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CCN2CCC1CC2 ZINC000567223068 439124308 /nfs/dbraw/zinc/12/43/08/439124308.db2.gz XZCGKADTSUAPCQ-UHFFFAOYSA-N 1 3 335.496 0.692 20 0 ECADHO CCCN(C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000580881925 439142346 /nfs/dbraw/zinc/14/23/46/439142346.db2.gz GHSIIPOCDJWMGE-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000567499434 439147950 /nfs/dbraw/zinc/14/79/50/439147950.db2.gz ZQGGZDFXVBZWBW-NVXWUHKLSA-N 1 3 326.485 0.002 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000581304416 439194665 /nfs/dbraw/zinc/19/46/65/439194665.db2.gz PJLWXMHKSNZPAJ-MRXNPFEDSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581776962 439253310 /nfs/dbraw/zinc/25/33/10/439253310.db2.gz IZNSZYNWPZGYBI-GJZGRUSLSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581776962 439253315 /nfs/dbraw/zinc/25/33/15/439253315.db2.gz IZNSZYNWPZGYBI-GJZGRUSLSA-N 1 3 325.501 0.781 20 0 ECADHO COCCCN1CCC(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592959316 439322010 /nfs/dbraw/zinc/32/20/10/439322010.db2.gz RHAGTNYJRQPRJL-CQSZACIVSA-N 1 3 349.479 0.950 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000569323277 439322852 /nfs/dbraw/zinc/32/28/52/439322852.db2.gz DDGLGGQELCSDDV-GOSISDBHSA-N 1 3 345.491 0.808 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCCN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000582052225 439285055 /nfs/dbraw/zinc/28/50/55/439285055.db2.gz YKBJALBYFPRWFI-WMZOPIPTSA-N 1 3 345.491 0.854 20 0 ECADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000582087824 439288616 /nfs/dbraw/zinc/28/86/16/439288616.db2.gz BXUBJVYMCHDSFW-SRABZTEZSA-N 1 3 348.491 0.813 20 0 ECADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000582087824 439288621 /nfs/dbraw/zinc/28/86/21/439288621.db2.gz BXUBJVYMCHDSFW-SRABZTEZSA-N 1 3 348.491 0.813 20 0 ECADHO Cc1nccn1CCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604188443 439302603 /nfs/dbraw/zinc/30/26/03/439302603.db2.gz SRNVOHVNYRRYPS-HNNXBMFYSA-N 1 3 334.468 0.659 20 0 ECADHO Cc1nccn1CCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604188443 439302608 /nfs/dbraw/zinc/30/26/08/439302608.db2.gz SRNVOHVNYRRYPS-HNNXBMFYSA-N 1 3 334.468 0.659 20 0 ECADHO Cc1nccn1CCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604188443 439302613 /nfs/dbraw/zinc/30/26/13/439302613.db2.gz SRNVOHVNYRRYPS-HNNXBMFYSA-N 1 3 334.468 0.659 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569123844 439306768 /nfs/dbraw/zinc/30/67/68/439306768.db2.gz YMRRODKADCCSMO-NIFZNCRKSA-N 1 3 326.485 0.711 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000569818303 439367299 /nfs/dbraw/zinc/36/72/99/439367299.db2.gz KECQNMQNDVZPMJ-OAHLLOKOSA-N 1 3 336.480 0.707 20 0 ECADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000582871545 439391058 /nfs/dbraw/zinc/39/10/58/439391058.db2.gz LOITZQGASYXFGP-ABFRBSLYSA-N 1 3 348.491 0.671 20 0 ECADHO C[C@H]1CCN(CC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000570939785 439462756 /nfs/dbraw/zinc/46/27/56/439462756.db2.gz MLWKTFDFNZABJG-HNNXBMFYSA-N 1 3 346.475 0.936 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000583684021 439496944 /nfs/dbraw/zinc/49/69/44/439496944.db2.gz ZOERHAAKTJPMID-WCVJEAGWSA-N 1 3 336.480 0.705 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000583984691 439535881 /nfs/dbraw/zinc/53/58/81/439535881.db2.gz BNYSSIUQIYDVKI-YYIAUSFCSA-N 1 3 348.491 0.578 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000572534096 439590636 /nfs/dbraw/zinc/59/06/36/439590636.db2.gz NLGVWEWMCZGVSB-INIZCTEOSA-N 1 3 336.480 0.661 20 0 ECADHO COC[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000584586200 439603913 /nfs/dbraw/zinc/60/39/13/439603913.db2.gz ORYWRVBRLXKBEQ-KRWDZBQOSA-N 1 3 335.448 0.481 20 0 ECADHO COC[C@@H](O)CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000584586200 439603916 /nfs/dbraw/zinc/60/39/16/439603916.db2.gz ORYWRVBRLXKBEQ-KRWDZBQOSA-N 1 3 335.448 0.481 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000574510948 439710293 /nfs/dbraw/zinc/71/02/93/439710293.db2.gz DXSDSVQPBJIQAE-XHSDSOJGSA-N 1 3 336.480 0.659 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000573935244 439675361 /nfs/dbraw/zinc/67/53/61/439675361.db2.gz UIMTWHRHCIKTKD-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCC(CC[NH+](C)C)CC2)C1=O ZINC000595295629 439693587 /nfs/dbraw/zinc/69/35/87/439693587.db2.gz NKJAKYLHSKOJJB-HNNXBMFYSA-N 1 3 325.453 0.814 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000612045596 439745383 /nfs/dbraw/zinc/74/53/83/439745383.db2.gz VIPHNEYIQRDFKK-JYJNAYRXSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000612045596 439745384 /nfs/dbraw/zinc/74/53/84/439745384.db2.gz VIPHNEYIQRDFKK-JYJNAYRXSA-N 1 3 336.480 0.720 20 0 ECADHO [NH3+][C@H]1C[C@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000662723981 439860850 /nfs/dbraw/zinc/86/08/50/439860850.db2.gz KBDNPTOKWCXXHL-QAQDUYKDSA-N 1 3 344.459 0.866 20 0 ECADHO NC1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC2(CCC2)C1 ZINC000662762645 439881327 /nfs/dbraw/zinc/88/13/27/439881327.db2.gz XNUBXHSZPDWGOY-CABCVRRESA-N 1 3 348.491 0.755 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000652427201 439844423 /nfs/dbraw/zinc/84/44/23/439844423.db2.gz GURBKGMCOOKMFL-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO O=C(NC[C@@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000662760286 439881485 /nfs/dbraw/zinc/88/14/85/439881485.db2.gz GLZSYRQDCXBBKX-GOEBONIOSA-N 1 3 348.491 0.768 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000617507384 439901016 /nfs/dbraw/zinc/90/10/16/439901016.db2.gz UMXQONZLJMGHMQ-GJZGRUSLSA-N 1 3 335.496 0.913 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000617507384 439901022 /nfs/dbraw/zinc/90/10/22/439901022.db2.gz UMXQONZLJMGHMQ-GJZGRUSLSA-N 1 3 335.496 0.913 20 0 ECADHO CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505798 439902156 /nfs/dbraw/zinc/90/21/56/439902156.db2.gz QOILDWMPSSPKQZ-UONOGXRCSA-N 1 3 344.525 0.686 20 0 ECADHO CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505798 439902160 /nfs/dbraw/zinc/90/21/60/439902160.db2.gz QOILDWMPSSPKQZ-UONOGXRCSA-N 1 3 344.525 0.686 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCO1 ZINC000646851482 439903898 /nfs/dbraw/zinc/90/38/98/439903898.db2.gz VSYOGPMZDRNPDS-UAGQMJEPSA-N 1 3 332.448 0.868 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000658395730 439914742 /nfs/dbraw/zinc/91/47/42/439914742.db2.gz VOZVUIPTBHQRPH-UHFFFAOYSA-N 1 3 341.481 0.173 20 0 ECADHO C[NH2+]CCOCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000626935183 439965134 /nfs/dbraw/zinc/96/51/34/439965134.db2.gz ZJTIOUABSCIUNE-UHFFFAOYSA-N 1 3 334.464 0.970 20 0 ECADHO CN(CCOCC[NH3+])C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000626940180 439969211 /nfs/dbraw/zinc/96/92/11/439969211.db2.gz TYXKFDXVHFCUPV-UHFFFAOYSA-N 1 3 344.525 0.965 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642330454 439971659 /nfs/dbraw/zinc/97/16/59/439971659.db2.gz LIRWPWGIMPILCT-KFWWJZLASA-N 1 3 338.496 0.809 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626986130 439981332 /nfs/dbraw/zinc/98/13/32/439981332.db2.gz APCBUEJIDKEFRV-OAHLLOKOSA-N 1 3 341.500 0.067 20 0 ECADHO COC1CCN(C(C)(C)CNS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631921375 439982801 /nfs/dbraw/zinc/98/28/01/439982801.db2.gz FBLKSSPELLPORX-UHFFFAOYSA-N 1 3 335.514 0.747 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000652718503 439940576 /nfs/dbraw/zinc/94/05/76/439940576.db2.gz FSOXZTKIJXOTBS-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724822 439946597 /nfs/dbraw/zinc/94/65/97/439946597.db2.gz NKCSQWQZUYEPKN-UHFFFAOYSA-N 1 3 326.485 0.539 20 0 ECADHO CN(C)[C@@H](CNC(=O)CN1CCC([NH2+]CCO)CC1)c1ccccc1 ZINC000631863535 439952193 /nfs/dbraw/zinc/95/21/93/439952193.db2.gz ZVLWSWJWXSDWSE-SFHVURJKSA-N 1 3 348.491 0.452 20 0 ECADHO CN(C)CCN1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1=O ZINC000652734526 439954122 /nfs/dbraw/zinc/95/41/22/439954122.db2.gz NOFJMGWHQCCGBB-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)CCN1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1=O ZINC000652734526 439954129 /nfs/dbraw/zinc/95/41/29/439954129.db2.gz NOFJMGWHQCCGBB-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000631887898 439959434 /nfs/dbraw/zinc/95/94/34/439959434.db2.gz RJROYQRFPRANKA-XHSDSOJGSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000631887898 439959440 /nfs/dbraw/zinc/95/94/40/439959440.db2.gz RJROYQRFPRANKA-XHSDSOJGSA-N 1 3 336.480 0.482 20 0 ECADHO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014930 439989958 /nfs/dbraw/zinc/98/99/58/439989958.db2.gz QFGVTGHDDLRVQO-CABCVRRESA-N 1 3 346.479 0.525 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000658569301 440011517 /nfs/dbraw/zinc/01/15/17/440011517.db2.gz DRXPQJAKRYKLTH-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000647205826 440019590 /nfs/dbraw/zinc/01/95/90/440019590.db2.gz VFWUWBDOKFAFTA-CYBMUJFWSA-N 1 3 329.470 0.031 20 0 ECADHO O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000642733813 440020897 /nfs/dbraw/zinc/02/08/97/440020897.db2.gz KDKONMHGAIPDAJ-KRWDZBQOSA-N 1 3 344.459 0.808 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)CCO1 ZINC000647233868 440025810 /nfs/dbraw/zinc/02/58/10/440025810.db2.gz GGKSXXHVOCGMJB-IUODEOHRSA-N 1 3 327.450 0.485 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000627165576 440026373 /nfs/dbraw/zinc/02/63/73/440026373.db2.gz ZXAYUBIAAONDCJ-ZNMIVQPWSA-N 1 3 337.468 0.075 20 0 ECADHO C[NH2+]CCOCCNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000627173227 440030401 /nfs/dbraw/zinc/03/04/01/440030401.db2.gz QVTVVZSGQDRINE-UHFFFAOYSA-N 1 3 337.424 0.158 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC[NH2+]CC1 ZINC000642785795 440036976 /nfs/dbraw/zinc/03/69/76/440036976.db2.gz LJUVSUWNQMJLSK-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000631926723 439987738 /nfs/dbraw/zinc/98/77/38/439987738.db2.gz HBSRGUBXSXRXDP-HIFRSBDPSA-N 1 3 330.498 0.331 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000642943436 440067595 /nfs/dbraw/zinc/06/75/95/440067595.db2.gz LNSIHXNMGOBNOH-JKSUJKDBSA-N 1 3 338.496 0.999 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000642960181 440070456 /nfs/dbraw/zinc/07/04/56/440070456.db2.gz LBPKOAHVJWXGAG-IRXDYDNUSA-N 1 3 344.459 0.573 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642956709 440071142 /nfs/dbraw/zinc/07/11/42/440071142.db2.gz PWBYVVZEHICDOM-HOCLYGCPSA-N 1 3 345.447 0.364 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000663445567 440077397 /nfs/dbraw/zinc/07/73/97/440077397.db2.gz JLZMRPRBWQZBLL-UHFFFAOYSA-N 1 3 341.500 0.521 20 0 ECADHO NCC(=O)N1CCC[C@H](C[N@H+](CCN2CCOCC2)CC2CC2)C1 ZINC000663499538 440085437 /nfs/dbraw/zinc/08/54/37/440085437.db2.gz CLBGSNLJSKKDFR-QGZVFWFLSA-N 1 3 338.496 0.228 20 0 ECADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCN2CCOCC2)CC2CC2)C1 ZINC000663499538 440085442 /nfs/dbraw/zinc/08/54/42/440085442.db2.gz CLBGSNLJSKKDFR-QGZVFWFLSA-N 1 3 338.496 0.228 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@H]3CNCCC3(F)F)C2)C1 ZINC000653183868 440090360 /nfs/dbraw/zinc/09/03/60/440090360.db2.gz KPIFNTGCOHVDNW-SYQHCUMBSA-N 1 3 331.407 0.976 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)C[NH2+]1 ZINC000627201459 440043878 /nfs/dbraw/zinc/04/38/78/440043878.db2.gz HUAKMFGMSVDUDP-VVLHAWIVSA-N 1 3 337.512 0.794 20 0 ECADHO CCN1CCN([C@@H](C)CNS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632254731 440132733 /nfs/dbraw/zinc/13/27/33/440132733.db2.gz WYDZEROFFKDWSJ-INIZCTEOSA-N 1 3 346.541 0.418 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000643394463 440136438 /nfs/dbraw/zinc/13/64/38/440136438.db2.gz LFSWYVPDKZEQBZ-GOEBONIOSA-N 1 3 336.480 0.435 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000643394463 440136443 /nfs/dbraw/zinc/13/64/43/440136443.db2.gz LFSWYVPDKZEQBZ-GOEBONIOSA-N 1 3 336.480 0.435 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@H]1CCN(CC)C1 ZINC000658827680 440141672 /nfs/dbraw/zinc/14/16/72/440141672.db2.gz WLGFKAVZPBNSAL-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627295848 440104210 /nfs/dbraw/zinc/10/42/10/440104210.db2.gz PPLXTZTXWWMHEM-RRFJBIMHSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627312450 440115265 /nfs/dbraw/zinc/11/52/65/440115265.db2.gz YYJROHFSNVUUNO-AWEZNQCLSA-N 1 3 342.484 0.095 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000627377900 440165338 /nfs/dbraw/zinc/16/53/38/440165338.db2.gz WNZFLTJESXIQMY-JKSUJKDBSA-N 1 3 332.448 0.621 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000627377274 440165500 /nfs/dbraw/zinc/16/55/00/440165500.db2.gz DONXUBGEOIOBRH-INIZCTEOSA-N 1 3 344.459 0.765 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478784 440178703 /nfs/dbraw/zinc/17/87/03/440178703.db2.gz GFQCXSQASRLKRF-CABCVRRESA-N 1 3 345.447 0.316 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494589 440184592 /nfs/dbraw/zinc/18/45/92/440184592.db2.gz BTNUYIAUEULJOA-ZACQAIPSSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000643510628 440191864 /nfs/dbraw/zinc/19/18/64/440191864.db2.gz DVMWJQQMWKBRDE-OWCLPIDISA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627358288 440148883 /nfs/dbraw/zinc/14/88/83/440148883.db2.gz FQPWMCTUSHHRJM-JCGIZDLHSA-N 1 3 336.480 0.435 20 0 ECADHO CCOC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000637266435 440224041 /nfs/dbraw/zinc/22/40/41/440224041.db2.gz XIKYKOIRTMICJE-JKSUJKDBSA-N 1 3 344.500 0.705 20 0 ECADHO CCOC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000637266435 440224045 /nfs/dbraw/zinc/22/40/45/440224045.db2.gz XIKYKOIRTMICJE-JKSUJKDBSA-N 1 3 344.500 0.705 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCN1CCSCC1 ZINC000664097425 440235445 /nfs/dbraw/zinc/23/54/45/440235445.db2.gz YUMKDWNCDQVIDE-HNNXBMFYSA-N 1 3 345.557 0.606 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000643545203 440207706 /nfs/dbraw/zinc/20/77/06/440207706.db2.gz MHLHZMLBIIYLJS-IMJJTQAJSA-N 1 3 336.480 0.657 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000659023931 440208182 /nfs/dbraw/zinc/20/81/82/440208182.db2.gz BMDGSAVUOSMEMA-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000643545280 440208186 /nfs/dbraw/zinc/20/81/86/440208186.db2.gz VTLWQZBFDILZLI-JJXSEGSLSA-N 1 3 336.480 0.657 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000664183066 440252922 /nfs/dbraw/zinc/25/29/22/440252922.db2.gz PZXIVGITHNGZQV-OAHLLOKOSA-N 1 3 339.484 0.132 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000664183066 440252924 /nfs/dbraw/zinc/25/29/24/440252924.db2.gz PZXIVGITHNGZQV-OAHLLOKOSA-N 1 3 339.484 0.132 20 0 ECADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3CNCCC3(F)F)CC2)C1 ZINC000648178002 440254012 /nfs/dbraw/zinc/25/40/12/440254012.db2.gz HLMDQNGFWWCCAK-RDBSUJKOSA-N 1 3 331.407 0.976 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)COC2(C)CNC2)cc1 ZINC000659353802 440303956 /nfs/dbraw/zinc/30/39/56/440303956.db2.gz MRKQPPTZZONQNS-HOTGVXAUSA-N 1 3 333.432 0.635 20 0 ECADHO CCN(CCO)CCNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637666136 440317819 /nfs/dbraw/zinc/31/78/19/440317819.db2.gz WEZXAOYJLZQHQX-UHFFFAOYSA-N 1 3 338.456 0.586 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659484540 440341356 /nfs/dbraw/zinc/34/13/56/440341356.db2.gz OJYMOTANYLREQI-MRXNPFEDSA-N 1 3 326.485 0.986 20 0 ECADHO C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664630313 440345532 /nfs/dbraw/zinc/34/55/32/440345532.db2.gz RFUUPOSFYTUPQC-FSDCSDTHSA-N 1 3 338.496 0.956 20 0 ECADHO C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000664630313 440345536 /nfs/dbraw/zinc/34/55/36/440345536.db2.gz RFUUPOSFYTUPQC-FSDCSDTHSA-N 1 3 338.496 0.956 20 0 ECADHO COC[C@@]1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000659543444 440359739 /nfs/dbraw/zinc/35/97/39/440359739.db2.gz VWVLRUBLLCTHQB-WBVHZDCISA-N 1 3 340.468 0.308 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659607833 440372558 /nfs/dbraw/zinc/37/25/58/440372558.db2.gz FWJUOEIFKBMGNH-VNQPRFMTSA-N 1 3 340.468 0.245 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659448045 440326872 /nfs/dbraw/zinc/32/68/72/440326872.db2.gz KLBKPSATDREGOI-UUCFBXCCSA-N 1 3 337.468 0.062 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633032243 440414761 /nfs/dbraw/zinc/41/47/61/440414761.db2.gz FAVOFRDAVSBDPT-GASCZTMLSA-N 1 3 330.432 0.958 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC3CC2(CN)C3)([NH+](C)C)C1 ZINC000659680320 440415409 /nfs/dbraw/zinc/41/54/09/440415409.db2.gz MMXAHNNRWXLROF-GKWBDSLSSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000633037418 440416909 /nfs/dbraw/zinc/41/69/09/440416909.db2.gz PFBHEADPUOJCCZ-QWHCGFSZSA-N 1 3 334.420 0.514 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659681630 440417630 /nfs/dbraw/zinc/41/76/30/440417630.db2.gz XWCPODZMBQAYHH-QJYBKRKXSA-N 1 3 336.480 0.337 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)CC1 ZINC000659682367 440418219 /nfs/dbraw/zinc/41/82/19/440418219.db2.gz XOJZQCDWFNBFDP-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)n1 ZINC000654906327 440428871 /nfs/dbraw/zinc/42/88/71/440428871.db2.gz LEPDOKPDZVDHFF-INIZCTEOSA-N 1 3 349.479 0.772 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCNCC2(C)C)CC1=O ZINC000649273813 440426996 /nfs/dbraw/zinc/42/69/96/440426996.db2.gz LWCWWNUEUYLVJN-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCNCC2(C)C)CC1=O ZINC000649273813 440427001 /nfs/dbraw/zinc/42/70/01/440427001.db2.gz LWCWWNUEUYLVJN-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000659692999 440427324 /nfs/dbraw/zinc/42/73/24/440427324.db2.gz CYTUYIQBJMGYGQ-YQQAZPJKSA-N 1 3 346.475 0.737 20 0 ECADHO CC(CN1CC[C@H](C(=O)N(C)C)C1)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000664779864 440374250 /nfs/dbraw/zinc/37/42/50/440374250.db2.gz JWKQWBZIYAOAEN-HOTGVXAUSA-N 1 3 338.496 0.443 20 0 ECADHO CC(CN1CC[C@H](C(=O)N(C)C)C1)C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000664779864 440374257 /nfs/dbraw/zinc/37/42/57/440374257.db2.gz JWKQWBZIYAOAEN-HOTGVXAUSA-N 1 3 338.496 0.443 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654662407 440375073 /nfs/dbraw/zinc/37/50/73/440375073.db2.gz NMCFAKPMPANSFP-IYBDPMFKSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCO1 ZINC000649274383 440428444 /nfs/dbraw/zinc/42/84/44/440428444.db2.gz IHLRFXHZERZZLM-FUHWJXTLSA-N 1 3 346.475 0.773 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)cn1 ZINC000633012176 440406513 /nfs/dbraw/zinc/40/65/13/440406513.db2.gz IXDHWTPLUBWIJC-ZDUSSCGKSA-N 1 3 336.440 0.113 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@@H+]1C ZINC000633194202 440466251 /nfs/dbraw/zinc/46/62/51/440466251.db2.gz XDHJNKFVCCKKBU-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@H+]1C ZINC000633194202 440466257 /nfs/dbraw/zinc/46/62/57/440466257.db2.gz XDHJNKFVCCKKBU-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CNCCC1(F)F ZINC000649336641 440473591 /nfs/dbraw/zinc/47/35/91/440473591.db2.gz KMTNDRSHIJRNFN-OCCSQVGLSA-N 1 3 331.407 0.848 20 0 ECADHO CC(C)CC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000638096764 440433892 /nfs/dbraw/zinc/43/38/92/440433892.db2.gz LQCBMUYQLHGDCF-HUUCEWRRSA-N 1 3 326.485 0.809 20 0 ECADHO [NH3+]C1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659715788 440452000 /nfs/dbraw/zinc/45/20/00/440452000.db2.gz QLSBUKNQCRACAW-NRXISQOPSA-N 1 3 336.480 0.896 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659716650 440452508 /nfs/dbraw/zinc/45/25/08/440452508.db2.gz BODBUYSWIXNJEF-HUUCEWRRSA-N 1 3 342.484 0.045 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000659718884 440454444 /nfs/dbraw/zinc/45/44/44/440454444.db2.gz RHTJWCVYNGLISX-HUUCEWRRSA-N 1 3 338.496 0.999 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(C)([NH3+])CC2)CC1=O ZINC000649357883 440485347 /nfs/dbraw/zinc/48/53/47/440485347.db2.gz SYALQMKSLUASJH-GJZGRUSLSA-N 1 3 336.480 0.659 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000659754103 440491105 /nfs/dbraw/zinc/49/11/05/440491105.db2.gz SJGFJLBLSBBHDP-LBPRGKRZSA-N 1 3 326.466 0.362 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000665760055 440524399 /nfs/dbraw/zinc/52/43/99/440524399.db2.gz XWGMOQHPHRKSBJ-GJZGRUSLSA-N 1 3 341.500 0.555 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000665760055 440524404 /nfs/dbraw/zinc/52/44/04/440524404.db2.gz XWGMOQHPHRKSBJ-GJZGRUSLSA-N 1 3 341.500 0.555 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000665760539 440526389 /nfs/dbraw/zinc/52/63/89/440526389.db2.gz JSAQCQSTDASADW-RDJZCZTQSA-N 1 3 342.484 0.459 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000665760539 440526395 /nfs/dbraw/zinc/52/63/95/440526395.db2.gz JSAQCQSTDASADW-RDJZCZTQSA-N 1 3 342.484 0.459 20 0 ECADHO CC(C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763514 440528789 /nfs/dbraw/zinc/52/87/89/440528789.db2.gz DAERETCNBYHXHZ-UONOGXRCSA-N 1 3 329.489 0.471 20 0 ECADHO CC(C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763514 440528794 /nfs/dbraw/zinc/52/87/94/440528794.db2.gz DAERETCNBYHXHZ-UONOGXRCSA-N 1 3 329.489 0.471 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000655551660 440585593 /nfs/dbraw/zinc/58/55/93/440585593.db2.gz ACURWHDPOQUZLE-HZPDHXFCSA-N 1 3 337.512 0.891 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000655551660 440585601 /nfs/dbraw/zinc/58/56/01/440585601.db2.gz ACURWHDPOQUZLE-HZPDHXFCSA-N 1 3 337.512 0.891 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000655551660 440585606 /nfs/dbraw/zinc/58/56/06/440585606.db2.gz ACURWHDPOQUZLE-HZPDHXFCSA-N 1 3 337.512 0.891 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638728310 440609048 /nfs/dbraw/zinc/60/90/48/440609048.db2.gz MQIQPVNZTHWCJX-QGZVFWFLSA-N 1 3 339.480 0.845 20 0 ECADHO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCN1CC[C@@H](O)C1 ZINC000629173097 440615935 /nfs/dbraw/zinc/61/59/35/440615935.db2.gz CJQXGEZHIUTUMZ-OAHLLOKOSA-N 1 3 325.453 0.204 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN1CCNCC1 ZINC000638848406 440634484 /nfs/dbraw/zinc/63/44/84/440634484.db2.gz AIRRWMVQZQYAIB-WMZOPIPTSA-N 1 3 330.476 0.776 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN1CCNCC1 ZINC000638848406 440634489 /nfs/dbraw/zinc/63/44/89/440634489.db2.gz AIRRWMVQZQYAIB-WMZOPIPTSA-N 1 3 330.476 0.776 20 0 ECADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000666770851 440687213 /nfs/dbraw/zinc/68/72/13/440687213.db2.gz VVAFDINGYJFQKL-OAHLLOKOSA-N 1 3 330.432 0.945 20 0 ECADHO NC[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(F)(F)F ZINC000655920050 440643192 /nfs/dbraw/zinc/64/31/92/440643192.db2.gz RVDXVKLBKGAWMY-JQWIXIFHSA-N 1 3 338.374 0.676 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)ccn1 ZINC000655923922 440646782 /nfs/dbraw/zinc/64/67/82/440646782.db2.gz YOLFPRTVDQHSKZ-NSHDSACASA-N 1 3 349.357 0.711 20 0 ECADHO O[C@@]1(CNCCN2CCCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634710578 440694418 /nfs/dbraw/zinc/69/44/18/440694418.db2.gz ATUXYHLMSWLANF-LJQANCHMSA-N 1 3 333.476 0.935 20 0 ECADHO O[C@@]1(CNCCN2CCCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634710578 440694424 /nfs/dbraw/zinc/69/44/24/440694424.db2.gz ATUXYHLMSWLANF-LJQANCHMSA-N 1 3 333.476 0.935 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[C@@H]1[NH3+] ZINC000656028707 440701041 /nfs/dbraw/zinc/70/10/41/440701041.db2.gz PEZIKTPIWVAKLV-QKPAOTATSA-N 1 3 336.480 0.705 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000656061028 440703093 /nfs/dbraw/zinc/70/30/93/440703093.db2.gz XLNPKQBDAFUYIR-FZNQNYSPSA-N 1 3 345.447 0.187 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000656028536 440700146 /nfs/dbraw/zinc/70/01/46/440700146.db2.gz MDBSXBHFFWXAMW-QXSJWSMHSA-N 1 3 334.464 0.472 20 0 ECADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000666973967 440716398 /nfs/dbraw/zinc/71/63/98/440716398.db2.gz GQXDERNJUJXBGB-IAGOWNOFSA-N 1 3 334.464 0.895 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000660830319 440736819 /nfs/dbraw/zinc/73/68/19/440736819.db2.gz LNNWEXOVNJAOCQ-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000660830319 440736820 /nfs/dbraw/zinc/73/68/20/440736820.db2.gz LNNWEXOVNJAOCQ-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO CN1CCN(CCCNC(=O)COCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000645434893 440806650 /nfs/dbraw/zinc/80/66/50/440806650.db2.gz VQMQIJCQKPJKEG-QGZVFWFLSA-N 1 3 334.464 0.457 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCC[C@@H](N3CCCC3)C1)C2 ZINC000629792419 440763516 /nfs/dbraw/zinc/76/35/16/440763516.db2.gz NTPMCJWCQRIFLB-LZQZEXGQSA-N 1 3 348.491 0.531 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000629793761 440763605 /nfs/dbraw/zinc/76/36/05/440763605.db2.gz LIQCTAWXOBQMBM-MRXNPFEDSA-N 1 3 338.496 0.764 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000645263639 440773537 /nfs/dbraw/zinc/77/35/37/440773537.db2.gz RXOGWOCEXCNSFP-ZIAGYGMSSA-N 1 3 325.457 0.090 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000645263639 440773539 /nfs/dbraw/zinc/77/35/39/440773539.db2.gz RXOGWOCEXCNSFP-ZIAGYGMSSA-N 1 3 325.457 0.090 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656336461 440774896 /nfs/dbraw/zinc/77/48/96/440774896.db2.gz FGYNPLVLTXQZQD-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCC2(CC1)CN(C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)CCO2 ZINC000645306130 440781239 /nfs/dbraw/zinc/78/12/39/440781239.db2.gz KKDCHQSBGIRKPT-MRXNPFEDSA-N 1 3 336.480 0.977 20 0 ECADHO CN1CCC2(CC1)CN(C(=O)N[C@@H]1CC[N@@H+](CC3CC3)C1)CCO2 ZINC000645306130 440781245 /nfs/dbraw/zinc/78/12/45/440781245.db2.gz KKDCHQSBGIRKPT-MRXNPFEDSA-N 1 3 336.480 0.977 20 0 ECADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656353745 440782384 /nfs/dbraw/zinc/78/23/84/440782384.db2.gz CDWAKILZKHEETA-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656353745 440782389 /nfs/dbraw/zinc/78/23/89/440782389.db2.gz CDWAKILZKHEETA-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000639757309 440786269 /nfs/dbraw/zinc/78/62/69/440786269.db2.gz FOSWWRAMYBDWMI-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656359022 440788835 /nfs/dbraw/zinc/78/88/35/440788835.db2.gz WLQRNVLZUSFQQL-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)COCC[NH3+])CC1 ZINC000645485194 440818859 /nfs/dbraw/zinc/81/88/59/440818859.db2.gz UQADKFNGAJRTGK-UHFFFAOYSA-N 1 3 334.464 0.416 20 0 ECADHO CN(C)S(=O)(=O)NCCNCc1ccc(OCC[NH+](C)C)cc1 ZINC000656612052 440825362 /nfs/dbraw/zinc/82/53/62/440825362.db2.gz MGGGEHZAHNGVMG-UHFFFAOYSA-N 1 3 344.481 0.113 20 0 ECADHO CN(CCn1cc(CCN2CC[NH2+]CC2)nn1)Cc1cccc(F)c1 ZINC000630589635 440921573 /nfs/dbraw/zinc/92/15/73/440921573.db2.gz JKDHSIIGKZJQHO-UHFFFAOYSA-N 1 3 346.454 0.997 20 0 ECADHO CC1(C)C[NH2+][C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000645817415 440925829 /nfs/dbraw/zinc/92/58/29/440925829.db2.gz WPFIKMRQJRCNEG-MRXNPFEDSA-N 1 3 331.464 0.708 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000630890016 440978094 /nfs/dbraw/zinc/97/80/94/440978094.db2.gz QEABSVREHRMXLM-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000630890016 440978100 /nfs/dbraw/zinc/97/81/00/440978100.db2.gz QEABSVREHRMXLM-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CS(=O)(=O)NCC[C@@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251999 440995184 /nfs/dbraw/zinc/99/51/84/440995184.db2.gz KZJSORRKPAVWGR-KBPBESRZSA-N 1 3 331.482 0.301 20 0 ECADHO CCN1CCN(C(=O)CC2CCN(C[C@@](C)(O)C[NH2+]C)CC2)CC1 ZINC000652338996 441055401 /nfs/dbraw/zinc/05/54/01/441055401.db2.gz TWTKITGQSHMQIK-SFHVURJKSA-N 1 3 340.512 0.223 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCn2nc3ccccn3c2=O)C1 ZINC000652362120 441059400 /nfs/dbraw/zinc/05/94/00/441059400.db2.gz YKAGBIMVIUDHBD-BZUAXINKSA-N 1 3 345.447 0.857 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000340219736 321024574 /nfs/dbraw/zinc/02/45/74/321024574.db2.gz YYHJLFAOYRSFEA-HOTGVXAUSA-N 1 3 338.496 0.683 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000340219736 321024575 /nfs/dbraw/zinc/02/45/75/321024575.db2.gz YYHJLFAOYRSFEA-HOTGVXAUSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000340266986 321033203 /nfs/dbraw/zinc/03/32/03/321033203.db2.gz GSYCAFHKQMJLKV-LZWOXQAQSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340347774 321036527 /nfs/dbraw/zinc/03/65/27/321036527.db2.gz WEJYCCHMKHEXSX-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340347774 321036528 /nfs/dbraw/zinc/03/65/28/321036528.db2.gz WEJYCCHMKHEXSX-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO CCN(CC)C(=O)C[C@@H](C)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341418728 321056348 /nfs/dbraw/zinc/05/63/48/321056348.db2.gz FUHIOCSOBOJTIN-HUUCEWRRSA-N 1 3 326.485 0.810 20 0 ECADHO CCN(CC)C(=O)C[C@@H](C)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341418728 321056350 /nfs/dbraw/zinc/05/63/50/321056350.db2.gz FUHIOCSOBOJTIN-HUUCEWRRSA-N 1 3 326.485 0.810 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000342032906 321072936 /nfs/dbraw/zinc/07/29/36/321072936.db2.gz IHTRCMSATMBMSL-HRCADAONSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000342032906 321072937 /nfs/dbraw/zinc/07/29/37/321072937.db2.gz IHTRCMSATMBMSL-HRCADAONSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000348764003 321286876 /nfs/dbraw/zinc/28/68/76/321286876.db2.gz OJTNLZMOJLFJOZ-CQSZACIVSA-N 1 3 336.480 0.553 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000351843025 321337775 /nfs/dbraw/zinc/33/77/75/321337775.db2.gz XZOZDSSUSYVDFL-KLHDSHLOSA-N 1 3 336.480 0.515 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C2CC2)n1 ZINC000556128816 322187256 /nfs/dbraw/zinc/18/72/56/322187256.db2.gz JEQQGADQRQJYGZ-UHFFFAOYSA-N 1 3 347.463 0.849 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000560664504 322248860 /nfs/dbraw/zinc/24/88/60/322248860.db2.gz RBBGRHHIJGIQDM-ZACQAIPSSA-N 1 3 348.491 0.768 20 0 ECADHO CC[NH+]1CCC(CNC(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000561052245 322252811 /nfs/dbraw/zinc/25/28/11/322252811.db2.gz LJUNELWRWSMOTP-UHFFFAOYSA-N 1 3 347.467 0.740 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000561243445 322257574 /nfs/dbraw/zinc/25/75/74/322257574.db2.gz UZKRVCOAQQAHAM-AWEZNQCLSA-N 1 3 338.496 0.729 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@@H](C)C1 ZINC000562956212 322289667 /nfs/dbraw/zinc/28/96/67/322289667.db2.gz OLQBJHYPJHNYBG-HOTGVXAUSA-N 1 3 326.485 0.145 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@@H](C)C1 ZINC000562956212 322289669 /nfs/dbraw/zinc/28/96/69/322289669.db2.gz OLQBJHYPJHNYBG-HOTGVXAUSA-N 1 3 326.485 0.145 20 0 ECADHO CN1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@@H](CN)C1 ZINC000564430416 322374432 /nfs/dbraw/zinc/37/44/32/322374432.db2.gz BGRNTINZFGQMKX-KRWDZBQOSA-N 1 3 333.480 0.575 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)COC2CC[NH2+]CC2)CC1 ZINC000565301101 322448661 /nfs/dbraw/zinc/44/86/61/322448661.db2.gz LMNFBKWNJMTCME-UHFFFAOYSA-N 1 3 341.452 0.146 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000566058411 322496147 /nfs/dbraw/zinc/49/61/47/322496147.db2.gz HCZSQGGPAKZUNY-QGZVFWFLSA-N 1 3 346.475 0.391 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNCCO2 ZINC000568265728 322621990 /nfs/dbraw/zinc/62/19/90/322621990.db2.gz LUZSFJBSIBWZDK-CQSZACIVSA-N 1 3 332.404 0.365 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000125382683 545766743 /nfs/dbraw/zinc/76/67/43/545766743.db2.gz MXTBECIGHGLXMT-CYBMUJFWSA-N 1 3 338.456 0.230 20 0 ECADHO CN(C[C@@H](O)C1CC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000305068706 545987717 /nfs/dbraw/zinc/98/77/17/545987717.db2.gz SHHBTOHAJRIUHB-QGZVFWFLSA-N 1 3 338.496 0.957 20 0 ECADHO CN(C)C1(CNC(=O)c2ccc(C(=O)NCC3([NH+](C)C)CC3)o2)CC1 ZINC000416309047 546208159 /nfs/dbraw/zinc/20/81/59/546208159.db2.gz UFSKTAKFYURNRP-UHFFFAOYSA-N 1 3 348.447 0.928 20 0 ECADHO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000621645887 546534477 /nfs/dbraw/zinc/53/44/77/546534477.db2.gz NMNDWCUWTQXTDF-INIZCTEOSA-N 1 3 336.480 0.533 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCCN(C3CCCC3)CC1)C2 ZINC000622026347 546608561 /nfs/dbraw/zinc/60/85/61/546608561.db2.gz ITCHPCFDGQTCIO-BEFAXECRSA-N 1 3 348.491 0.803 20 0 ECADHO Nc1nc(N)nc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000624213411 546890240 /nfs/dbraw/zinc/89/02/40/546890240.db2.gz BNWMJNXWXUMHGM-KRWDZBQOSA-N 1 3 325.420 0.799 20 0 ECADHO Nc1nc(N)nc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000624213411 546890245 /nfs/dbraw/zinc/89/02/45/546890245.db2.gz BNWMJNXWXUMHGM-KRWDZBQOSA-N 1 3 325.420 0.799 20 0 ECADHO Nc1nc(N)nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000624408782 546918946 /nfs/dbraw/zinc/91/89/46/546918946.db2.gz FBIBDTVFWJJKCL-CQSZACIVSA-N 1 3 339.447 0.833 20 0 ECADHO Nc1nc(N)nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000624408782 546918952 /nfs/dbraw/zinc/91/89/52/546918952.db2.gz FBIBDTVFWJJKCL-CQSZACIVSA-N 1 3 339.447 0.833 20 0 ECADHO CCC(=O)N[C@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000624650348 546949970 /nfs/dbraw/zinc/94/99/70/546949970.db2.gz FBNJVFSPAKNVKY-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CCC(=O)N[C@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000624650348 546949972 /nfs/dbraw/zinc/94/99/72/546949972.db2.gz FBNJVFSPAKNVKY-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)C1CC1 ZINC000624651114 546950220 /nfs/dbraw/zinc/95/02/20/546950220.db2.gz XQZMXXBISGTJAQ-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)C1CC1 ZINC000624651114 546950225 /nfs/dbraw/zinc/95/02/25/546950225.db2.gz XQZMXXBISGTJAQ-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CN1CCOCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634642489 547381284 /nfs/dbraw/zinc/38/12/84/547381284.db2.gz LBWZTSUCSOODAF-IEBWSBKVSA-N 1 3 333.476 0.934 20 0 ECADHO C[C@H](CN1CCOCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642489 547381290 /nfs/dbraw/zinc/38/12/90/547381290.db2.gz LBWZTSUCSOODAF-IEBWSBKVSA-N 1 3 333.476 0.934 20 0 ECADHO C[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[C@H](O)C2)[C@H]1c1ccccc1 ZINC000636984903 547391849 /nfs/dbraw/zinc/39/18/49/547391849.db2.gz MLPMXCRMBVVJRB-GVDBMIGSSA-N 1 3 332.448 0.798 20 0 ECADHO C[N@H+]1CC[C@@H](NC(=O)NCCN2CC[C@H](O)C2)[C@H]1c1ccccc1 ZINC000636984903 547391854 /nfs/dbraw/zinc/39/18/54/547391854.db2.gz MLPMXCRMBVVJRB-GVDBMIGSSA-N 1 3 332.448 0.798 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645209539 547413464 /nfs/dbraw/zinc/41/34/64/547413464.db2.gz NZEIXBYNIGSAMF-UONOGXRCSA-N 1 3 327.473 0.478 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645209539 547413469 /nfs/dbraw/zinc/41/34/69/547413469.db2.gz NZEIXBYNIGSAMF-UONOGXRCSA-N 1 3 327.473 0.478 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CC[N@@H+]1C ZINC000648774459 547419551 /nfs/dbraw/zinc/41/95/51/547419551.db2.gz YGERBECQLFFICE-RHSMWYFYSA-N 1 3 346.475 0.934 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CC[N@H+]1C ZINC000648774459 547419554 /nfs/dbraw/zinc/41/95/54/547419554.db2.gz YGERBECQLFFICE-RHSMWYFYSA-N 1 3 346.475 0.934 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC000668635843 547707944 /nfs/dbraw/zinc/70/79/44/547707944.db2.gz PKNBEAKAGQOCIZ-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000668672315 547721149 /nfs/dbraw/zinc/72/11/49/547721149.db2.gz NCAVCLMGYJZLGR-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000668752965 547741869 /nfs/dbraw/zinc/74/18/69/547741869.db2.gz ZEAAFHGFQMOFLI-DZGCQCFKSA-N 1 3 338.496 0.822 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@H]2CCC[NH2+]CC2)ccn1 ZINC000669547115 547905011 /nfs/dbraw/zinc/90/50/11/547905011.db2.gz FSZQFLWMDMENAJ-HNNXBMFYSA-N 1 3 335.452 0.963 20 0 ECADHO O=C(NCC[NH2+]C1CC1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000669556141 547905916 /nfs/dbraw/zinc/90/59/16/547905916.db2.gz YTVMNURQBLUCJS-KRWDZBQOSA-N 1 3 332.448 0.804 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000669561139 547907329 /nfs/dbraw/zinc/90/73/29/547907329.db2.gz NXJZTCNFSHPART-DJIMGWMZSA-N 1 3 332.448 0.876 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000670997879 548078617 /nfs/dbraw/zinc/07/86/17/548078617.db2.gz JMKLQGMYXVXFQJ-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C ZINC000672593560 548357379 /nfs/dbraw/zinc/35/73/79/548357379.db2.gz XWVVRXDMXXZPHN-FVPDABNVSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C ZINC000672593560 548357383 /nfs/dbraw/zinc/35/73/83/548357383.db2.gz XWVVRXDMXXZPHN-FVPDABNVSA-N 1 3 336.480 0.717 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000672695855 548372918 /nfs/dbraw/zinc/37/29/18/548372918.db2.gz JPBPDBBYEGCSOZ-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000672697614 548374315 /nfs/dbraw/zinc/37/43/15/548374315.db2.gz UCSPOPKCCKDDCB-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000672699756 548375397 /nfs/dbraw/zinc/37/53/97/548375397.db2.gz GANBCFTXKBUASO-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000675783754 548762224 /nfs/dbraw/zinc/76/22/24/548762224.db2.gz SJOBUEOOJOBFBD-HUUCEWRRSA-N 1 3 347.525 0.889 20 0 ECADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000677059240 548896840 /nfs/dbraw/zinc/89/68/40/548896840.db2.gz YKIXZUVGDYCKRL-IRXDYDNUSA-N 1 3 346.475 0.343 20 0 ECADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000677059240 548896844 /nfs/dbraw/zinc/89/68/44/548896844.db2.gz YKIXZUVGDYCKRL-IRXDYDNUSA-N 1 3 346.475 0.343 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H]2CCCN(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000677896079 548968222 /nfs/dbraw/zinc/96/82/22/548968222.db2.gz INEPTAUPDKIWJT-IXDOHACOSA-N 1 3 337.512 0.748 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000682225487 549374105 /nfs/dbraw/zinc/37/41/05/549374105.db2.gz DHQMXNCXINMCOQ-UHFFFAOYSA-N 1 3 349.435 0.975 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCn1cncn1 ZINC000750735483 579357859 /nfs/dbraw/zinc/35/78/59/579357859.db2.gz XPQOUAPOCCQPLA-INIZCTEOSA-N 1 3 336.484 0.933 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCn1cncn1 ZINC000750735483 579357860 /nfs/dbraw/zinc/35/78/60/579357860.db2.gz XPQOUAPOCCQPLA-INIZCTEOSA-N 1 3 336.484 0.933 20 0 ECADHO CS[C@@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1N(C)C ZINC000759986632 579501800 /nfs/dbraw/zinc/50/18/00/579501800.db2.gz JZBYJLWUUFYTRM-UONOGXRCSA-N 1 3 340.497 0.954 20 0 ECADHO CC[NH+]1CCC(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736565689 578436845 /nfs/dbraw/zinc/43/68/45/578436845.db2.gz NZGGPQXNFDLVFU-ZDUSSCGKSA-N 1 3 345.455 0.426 20 0 ECADHO CC[NH+]1CCC(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736565689 578436846 /nfs/dbraw/zinc/43/68/46/578436846.db2.gz NZGGPQXNFDLVFU-ZDUSSCGKSA-N 1 3 345.455 0.426 20 0 ECADHO COC(=O)[C@H]1[C@@H]2CN(CCCC[N@H+]3C[C@H]4[C@H](C(=O)OC)[C@H]4C3)C[C@@H]21 ZINC000794986635 578602564 /nfs/dbraw/zinc/60/25/64/578602564.db2.gz ZYFLBLYYGNSJTI-FRMPLNAESA-N 1 3 336.432 0.468 20 0 ECADHO COC(=O)[C@H]1[C@@H]2CN(CCCC[N@@H+]3C[C@H]4[C@H](C(=O)OC)[C@H]4C3)C[C@@H]21 ZINC000794986635 578602565 /nfs/dbraw/zinc/60/25/65/578602565.db2.gz ZYFLBLYYGNSJTI-FRMPLNAESA-N 1 3 336.432 0.468 20 0 ECADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000795702186 578619124 /nfs/dbraw/zinc/61/91/24/578619124.db2.gz DOGXPJIVJRWUAC-HUUCEWRRSA-N 1 3 349.479 0.519 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)N1CCCCC1 ZINC000786081314 578780335 /nfs/dbraw/zinc/78/03/35/578780335.db2.gz JFRCJJXJBFWMER-AWEZNQCLSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793705664 578936273 /nfs/dbraw/zinc/93/62/73/578936273.db2.gz AWGXHLGZHYKTPN-HOTGVXAUSA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793797000 578939851 /nfs/dbraw/zinc/93/98/51/578939851.db2.gz XVUDIDCWTJEAGX-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CN(CC1CCS(=O)(=O)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000774737735 579255016 /nfs/dbraw/zinc/25/50/16/579255016.db2.gz KACAAURKFPRRGK-QGZVFWFLSA-N 1 3 343.537 0.912 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000867149384 588919221 /nfs/dbraw/zinc/91/92/21/588919221.db2.gz VHLWGSVTVXLKKW-OAHLLOKOSA-N 1 3 332.514 0.028 20 0 ECADHO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000867149384 588919223 /nfs/dbraw/zinc/91/92/23/588919223.db2.gz VHLWGSVTVXLKKW-OAHLLOKOSA-N 1 3 332.514 0.028 20 0 ECADHO O=C(C[C@@H]1CNCCO1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847410 589002669 /nfs/dbraw/zinc/00/26/69/589002669.db2.gz XICVCBUSDSJTCP-HZPDHXFCSA-N 1 3 347.415 0.912 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842218102 589021767 /nfs/dbraw/zinc/02/17/67/589021767.db2.gz HZTCHVROZOFNSJ-KSSFIOAISA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](C)C1)N1CCN(C)CC1 ZINC000891752922 586194160 /nfs/dbraw/zinc/19/41/60/586194160.db2.gz PVLXTQCKEIDRMO-DLBZAZTESA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](C)C1)N1CCN(C)CC1 ZINC000891752922 586194164 /nfs/dbraw/zinc/19/41/64/586194164.db2.gz PVLXTQCKEIDRMO-DLBZAZTESA-N 1 3 339.528 0.899 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892383039 586261528 /nfs/dbraw/zinc/26/15/28/586261528.db2.gz ARNMXNDRQIZKSP-CQSZACIVSA-N 1 3 341.500 0.426 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892465329 586267771 /nfs/dbraw/zinc/26/77/71/586267771.db2.gz QNZOSBPLPZWEIG-SWKXRBFHSA-N 1 3 349.479 0.301 20 0 ECADHO C[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)CN1CCN(C)CC1 ZINC000896707981 586267875 /nfs/dbraw/zinc/26/78/75/586267875.db2.gz LOGWHDXYBWLVBN-OAHLLOKOSA-N 1 3 338.496 0.097 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896980557 586279707 /nfs/dbraw/zinc/27/97/07/586279707.db2.gz YZWLHJNUILKSMY-QGZVFWFLSA-N 1 3 337.464 0.467 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cnn(CCF)c1 ZINC000897672453 586358767 /nfs/dbraw/zinc/35/87/67/586358767.db2.gz JVDLEECJCNRCDH-UHFFFAOYSA-N 1 3 328.436 0.487 20 0 ECADHO CC1(C)CC[N@H+](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000898590288 586434455 /nfs/dbraw/zinc/43/44/55/586434455.db2.gz FVVDXQUBGLTWII-OAHLLOKOSA-N 1 3 326.485 0.864 20 0 ECADHO CC1(C)CC[N@@H+](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000898590288 586434456 /nfs/dbraw/zinc/43/44/56/586434456.db2.gz FVVDXQUBGLTWII-OAHLLOKOSA-N 1 3 326.485 0.864 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000899666056 586494278 /nfs/dbraw/zinc/49/42/78/586494278.db2.gz BNQKMSZOVQHALD-CABCVRRESA-N 1 3 342.553 0.980 20 0 ECADHO CN1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000900446610 586631949 /nfs/dbraw/zinc/63/19/49/586631949.db2.gz QAHGTLAIUDBDTF-SJLPKXTDSA-N 1 3 338.496 0.116 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000900957068 586679015 /nfs/dbraw/zinc/67/90/15/586679015.db2.gz ZIOJZNBFBVONMC-GOSISDBHSA-N 1 3 341.496 0.793 20 0 ECADHO CC1(OCC(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CNC1 ZINC000843331904 589062058 /nfs/dbraw/zinc/06/20/58/589062058.db2.gz FYODLVOHYJODFI-OAHLLOKOSA-N 1 3 347.415 0.912 20 0 ECADHO CCC(C)(C)NC(=O)[C@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493663 586779707 /nfs/dbraw/zinc/77/97/07/586779707.db2.gz ZDVXZJDQFSBQAQ-JRATXPSKSA-N 1 3 325.453 0.892 20 0 ECADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000838301395 586803746 /nfs/dbraw/zinc/80/37/46/586803746.db2.gz CYMNGYJRPKSMID-RYRKJORJSA-N 1 3 336.480 0.977 20 0 ECADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000838301395 586803748 /nfs/dbraw/zinc/80/37/48/586803748.db2.gz CYMNGYJRPKSMID-RYRKJORJSA-N 1 3 336.480 0.977 20 0 ECADHO CN1CCC[C@@H](N2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)C1 ZINC000903741387 586807003 /nfs/dbraw/zinc/80/70/03/586807003.db2.gz PEOQBBAFTQSGTR-QZTJIDSGSA-N 1 3 336.524 0.857 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])CCC1 ZINC000904969125 586851124 /nfs/dbraw/zinc/85/11/24/586851124.db2.gz BZBNEBDJOJYQRA-KBXCAEBGSA-N 1 3 336.480 0.659 20 0 ECADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32CN)CC1 ZINC000904971738 586851813 /nfs/dbraw/zinc/85/18/13/586851813.db2.gz KCOVDIAXKFQMEA-CRAIPNDOSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)[C@H]1CN ZINC000904965068 586856693 /nfs/dbraw/zinc/85/66/93/586856693.db2.gz PSKUXYMFRWPUOI-KBPBESRZSA-N 1 3 326.485 0.618 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)C[C@]2(C)C1 ZINC000904965021 586856729 /nfs/dbraw/zinc/85/67/29/586856729.db2.gz OSNUFDAWPPHPRH-APWZRJJASA-N 1 3 344.459 0.384 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)C[C@]2(C)C1 ZINC000904965021 586856732 /nfs/dbraw/zinc/85/67/32/586856732.db2.gz OSNUFDAWPPHPRH-APWZRJJASA-N 1 3 344.459 0.384 20 0 ECADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906649918 586961612 /nfs/dbraw/zinc/96/16/12/586961612.db2.gz BMLYTJMRUQRIRG-UHFFFAOYSA-N 1 3 348.447 0.389 20 0 ECADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906649918 586961613 /nfs/dbraw/zinc/96/16/13/586961613.db2.gz BMLYTJMRUQRIRG-UHFFFAOYSA-N 1 3 348.447 0.389 20 0 ECADHO CC[NH+](CC)CCOc1cccc(NC(=O)C(=O)NC2CNC2)c1 ZINC000906676824 586964941 /nfs/dbraw/zinc/96/49/41/586964941.db2.gz XZFKKWYYXXDZNQ-UHFFFAOYSA-N 1 3 334.420 0.434 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000906706632 586968671 /nfs/dbraw/zinc/96/86/71/586968671.db2.gz MXUDQVWIPVFDDL-HNNXBMFYSA-N 1 3 348.447 0.680 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)cn1 ZINC000906733921 586972716 /nfs/dbraw/zinc/97/27/16/586972716.db2.gz BMDOQYXNUTWEMZ-ZDUSSCGKSA-N 1 3 336.440 0.032 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000817913190 587391628 /nfs/dbraw/zinc/39/16/28/587391628.db2.gz HQAVUFIHVDVNHQ-MRXNPFEDSA-N 1 3 332.448 0.357 20 0 ECADHO O=C(C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000817957418 587393592 /nfs/dbraw/zinc/39/35/92/587393592.db2.gz MBYVJKGEVXKEFE-YJBOKZPZSA-N 1 3 334.464 0.428 20 0 ECADHO O=C(CO[C@H]1CCC[NH2+]C1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000844171293 589098187 /nfs/dbraw/zinc/09/81/87/589098187.db2.gz OHDKUHZZEKSLBC-JKSUJKDBSA-N 1 3 325.453 0.515 20 0 ECADHO O=C(CO[C@H]1CCC[NH2+]C1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000844171291 589098267 /nfs/dbraw/zinc/09/82/67/589098267.db2.gz OHDKUHZZEKSLBC-HOTGVXAUSA-N 1 3 325.453 0.515 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CCN(C)C(C)(C)CC1 ZINC000825349920 587934116 /nfs/dbraw/zinc/93/41/16/587934116.db2.gz IYSVBYYQSZOFRT-UHFFFAOYSA-N 1 3 329.485 0.914 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN(C)C(C)(C)CC1 ZINC000825349920 587934117 /nfs/dbraw/zinc/93/41/17/587934117.db2.gz IYSVBYYQSZOFRT-UHFFFAOYSA-N 1 3 329.485 0.914 20 0 ECADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000826839599 588086561 /nfs/dbraw/zinc/08/65/61/588086561.db2.gz BMPWRXXDHVCCJK-CABCVRRESA-N 1 3 341.500 0.868 20 0 ECADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000826839599 588086562 /nfs/dbraw/zinc/08/65/62/588086562.db2.gz BMPWRXXDHVCCJK-CABCVRRESA-N 1 3 341.500 0.868 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C(C)C ZINC000848940119 589317315 /nfs/dbraw/zinc/31/73/15/589317315.db2.gz VAOFLMPUFAWUHP-JKSUJKDBSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C(C)C ZINC000848940119 589317317 /nfs/dbraw/zinc/31/73/17/589317317.db2.gz VAOFLMPUFAWUHP-JKSUJKDBSA-N 1 3 338.496 0.966 20 0 ECADHO NC[C@H]1CC(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)=NO1 ZINC000852795855 589512285 /nfs/dbraw/zinc/51/22/85/589512285.db2.gz JXAMZFHUZZDZFV-NWDGAFQWSA-N 1 3 346.387 0.638 20 0 ECADHO NC[C@@H]1CC(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)=NO1 ZINC000852794792 589512372 /nfs/dbraw/zinc/51/23/72/589512372.db2.gz SGOGYNFYMPLYKE-AWEZNQCLSA-N 1 3 346.387 0.638 20 0 ECADHO COC1CC[NH+](C2(CNC(=O)C3=NO[C@@H](CN)C3)CCCC2)CC1 ZINC000852867467 589519859 /nfs/dbraw/zinc/51/98/59/589519859.db2.gz VWNPVWSMNCWWNG-CQSZACIVSA-N 1 3 338.452 0.630 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867518480 589798235 /nfs/dbraw/zinc/79/82/35/589798235.db2.gz AHDRUMVGAXSWKT-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000867518480 589798236 /nfs/dbraw/zinc/79/82/36/589798236.db2.gz AHDRUMVGAXSWKT-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867570930 589808010 /nfs/dbraw/zinc/80/80/10/589808010.db2.gz BKYCKHKOLSVNFA-NCOADZHNSA-N 1 3 348.491 0.624 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867570930 589808012 /nfs/dbraw/zinc/80/80/12/589808012.db2.gz BKYCKHKOLSVNFA-NCOADZHNSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)CC1 ZINC000868166649 589877725 /nfs/dbraw/zinc/87/77/25/589877725.db2.gz ACTGKXUNKKLODZ-GFCCVEGCSA-N 1 3 337.390 0.297 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N1CCCCC1 ZINC000861729178 589882856 /nfs/dbraw/zinc/88/28/56/589882856.db2.gz PRNNIDFEIQMPLQ-OLMNPRSZSA-N 1 3 336.480 0.435 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)CC[C@H]21 ZINC000868309588 589891412 /nfs/dbraw/zinc/89/14/12/589891412.db2.gz LWVDBXDPHBJOGM-RHSMWYFYSA-N 1 3 342.443 0.823 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)CC[C@H]21 ZINC000868309588 589891413 /nfs/dbraw/zinc/89/14/13/589891413.db2.gz LWVDBXDPHBJOGM-RHSMWYFYSA-N 1 3 342.443 0.823 20 0 ECADHO O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CCN(c2ccncc2)CC1 ZINC000868418147 589904395 /nfs/dbraw/zinc/90/43/95/589904395.db2.gz JFYNQCLLQLJKKP-HZPDHXFCSA-N 1 3 343.431 0.083 20 0 ECADHO C[C@@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C[NH+](C)C ZINC000868514668 589911437 /nfs/dbraw/zinc/91/14/37/589911437.db2.gz YWYNHIKFSZEKOO-STQMWFEESA-N 1 3 330.473 0.755 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1(C)C ZINC000868579164 589914549 /nfs/dbraw/zinc/91/45/49/589914549.db2.gz SEBKSCIXUGCPEK-JKSUJKDBSA-N 1 3 337.512 0.748 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1(C)C ZINC000868579164 589914552 /nfs/dbraw/zinc/91/45/52/589914552.db2.gz SEBKSCIXUGCPEK-JKSUJKDBSA-N 1 3 337.512 0.748 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)CCC(=O)c2cnn(C)c2)C[C@H]1C[NH+](C)C ZINC000870019424 589989747 /nfs/dbraw/zinc/98/97/47/589989747.db2.gz YBBIYZCRKFTSRF-HZPDHXFCSA-N 1 3 349.479 0.581 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000863769533 590036917 /nfs/dbraw/zinc/03/69/17/590036917.db2.gz HFGZWXYLBWWZLW-BHYGNILZSA-N 1 3 344.459 0.525 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](C)CC1 ZINC000864597469 590087813 /nfs/dbraw/zinc/08/78/13/590087813.db2.gz PJNBWNHVKGXHLY-ZDUSSCGKSA-N 1 3 328.457 0.652 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303091 590112334 /nfs/dbraw/zinc/11/23/34/590112334.db2.gz BOLBMZCDLBASRB-ZQNQSHIBSA-N 1 3 336.436 0.253 20 0 ECADHO CO[C@H]1CCn2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nc2C1 ZINC000865178082 590129793 /nfs/dbraw/zinc/12/97/93/590129793.db2.gz PGOLZSUGXBXTLD-AWEZNQCLSA-N 1 3 337.468 0.410 20 0 ECADHO C[C@@H](CNC(=O)N1CC[N@H+](C)C(C)(C)CC1)CN1CCN(C)CC1 ZINC000875314090 590292266 /nfs/dbraw/zinc/29/22/66/590292266.db2.gz WJKAQZQUENBBAO-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)CN1CCN(C)CC1 ZINC000875314090 590292268 /nfs/dbraw/zinc/29/22/68/590292268.db2.gz WJKAQZQUENBBAO-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CN1C1CC1 ZINC000875329765 590293511 /nfs/dbraw/zinc/29/35/11/590293511.db2.gz SJIIHGWFUUMRQF-KBPBESRZSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CN1C1CC1 ZINC000875329765 590293513 /nfs/dbraw/zinc/29/35/13/590293513.db2.gz SJIIHGWFUUMRQF-KBPBESRZSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C1=CC[N@H+](C)CC1 ZINC000875360465 590296069 /nfs/dbraw/zinc/29/60/69/590296069.db2.gz INGRUKTWOGHUCY-AWEZNQCLSA-N 1 3 336.480 0.696 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000875360465 590296071 /nfs/dbraw/zinc/29/60/71/590296071.db2.gz INGRUKTWOGHUCY-AWEZNQCLSA-N 1 3 336.480 0.696 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC[C@@H]21 ZINC000875444963 590302616 /nfs/dbraw/zinc/30/26/16/590302616.db2.gz PFQKNUFNSXVAAI-WCXIOVBPSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC[C@@H]21 ZINC000875444963 590302617 /nfs/dbraw/zinc/30/26/17/590302617.db2.gz PFQKNUFNSXVAAI-WCXIOVBPSA-N 1 3 348.491 0.672 20 0 ECADHO O=C(CN1CCNCC1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000876521544 590385134 /nfs/dbraw/zinc/38/51/34/590385134.db2.gz QDDCQBBOFBEACB-AWEZNQCLSA-N 1 3 346.431 0.439 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876758033 590410600 /nfs/dbraw/zinc/41/06/00/590410600.db2.gz HIDJLJTVYHMDIK-QAPCUYQASA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000880949451 590427295 /nfs/dbraw/zinc/42/72/95/590427295.db2.gz FWTOZNIHLWVCMU-HOTGVXAUSA-N 1 3 341.496 0.741 20 0 ECADHO CN1CCC(NC(=O)Cn2cc(-c3cccc(C[NH3+])c3)nn2)CC1 ZINC000881330467 590447294 /nfs/dbraw/zinc/44/72/94/590447294.db2.gz QGGVVAXCPAAWFN-UHFFFAOYSA-N 1 3 328.420 0.614 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883639819 590637785 /nfs/dbraw/zinc/63/77/85/590637785.db2.gz ZLXZVIHPVFRMDI-UHFFFAOYSA-N 1 3 342.484 0.507 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCN1C ZINC000884879002 590640205 /nfs/dbraw/zinc/64/02/05/590640205.db2.gz PCOZOYGSQBAAGJ-RBSFLKMASA-N 1 3 338.496 0.822 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1(C)C ZINC000885004896 590667024 /nfs/dbraw/zinc/66/70/24/590667024.db2.gz OZYALGGWDUZZIA-QDMKHBRRSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884207793 590775182 /nfs/dbraw/zinc/77/51/82/590775182.db2.gz GKTOBGDUMSPKTP-HOTGVXAUSA-N 1 3 345.447 0.084 20 0 ECADHO CN(CC1CC[NH+](C)CC1)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884377279 590816575 /nfs/dbraw/zinc/81/65/75/590816575.db2.gz FVWXPWRTNYLVCT-UHFFFAOYSA-N 1 3 331.464 0.905 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884576844 590861689 /nfs/dbraw/zinc/86/16/89/590861689.db2.gz RTDSYBZXHWPKNO-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884617223 590872482 /nfs/dbraw/zinc/87/24/82/590872482.db2.gz JWNWHYYNUFAASF-HNNXBMFYSA-N 1 3 336.480 0.722 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884617049 590872564 /nfs/dbraw/zinc/87/25/64/590872564.db2.gz GXAPESSWJKSSEO-QWHCGFSZSA-N 1 3 346.422 0.338 20 0 ECADHO COC(=O)N[C@H]1CCN(CCCC[N@@H+]2CC[C@H](NC(=O)OC)C2)C1 ZINC000886855987 590893659 /nfs/dbraw/zinc/89/36/59/590893659.db2.gz BEMGJUMCBUSABD-KBPBESRZSA-N 1 3 342.440 0.627 20 0 ECADHO COC(=O)N[C@H]1CCN(CCCC[N@H+]2CC[C@H](NC(=O)OC)C2)C1 ZINC000886855987 590893662 /nfs/dbraw/zinc/89/36/62/590893662.db2.gz BEMGJUMCBUSABD-KBPBESRZSA-N 1 3 342.440 0.627 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884704664 590902674 /nfs/dbraw/zinc/90/26/74/590902674.db2.gz ONEYHWXJLMMSOP-YCPHGPKFSA-N 1 3 332.448 0.334 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884704664 590902676 /nfs/dbraw/zinc/90/26/76/590902676.db2.gz ONEYHWXJLMMSOP-YCPHGPKFSA-N 1 3 332.448 0.334 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884723107 590911010 /nfs/dbraw/zinc/91/10/10/590911010.db2.gz YHOISHAQEZWKJS-ZIAGYGMSSA-N 1 3 333.436 0.233 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884729763 590913173 /nfs/dbraw/zinc/91/31/73/590913173.db2.gz VIWMLYMIWPATBI-BFHYXJOUSA-N 1 3 333.436 0.361 20 0 ECADHO CCN(C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000886994611 590914921 /nfs/dbraw/zinc/91/49/21/590914921.db2.gz ZCMPVBOECQYRQE-CQSZACIVSA-N 1 3 348.447 0.906 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000884782702 590921643 /nfs/dbraw/zinc/92/16/43/590921643.db2.gz KHKPEINWISNEQC-HOCLYGCPSA-N 1 3 336.480 0.720 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884782891 590922564 /nfs/dbraw/zinc/92/25/64/590922564.db2.gz MPQQITXMZOSJRD-ZNMIVQPWSA-N 1 3 334.464 0.472 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N(C)CCN ZINC000884834588 590931867 /nfs/dbraw/zinc/93/18/67/590931867.db2.gz ZJGFWWJMRJNBRQ-HOCLYGCPSA-N 1 3 332.448 0.288 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N(C)CCN ZINC000884834588 590931870 /nfs/dbraw/zinc/93/18/70/590931870.db2.gz ZJGFWWJMRJNBRQ-HOCLYGCPSA-N 1 3 332.448 0.288 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884841744 590933653 /nfs/dbraw/zinc/93/36/53/590933653.db2.gz ZXOIJRZMLAONLW-MRXNPFEDSA-N 1 3 344.459 0.549 20 0 ECADHO CCN1CC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000890071308 591125612 /nfs/dbraw/zinc/12/56/12/591125612.db2.gz UUYOAJCWXVWPKT-INIZCTEOSA-N 1 3 325.501 0.748 20 0 ECADHO CCN1CC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000890071308 591125616 /nfs/dbraw/zinc/12/56/16/591125616.db2.gz UUYOAJCWXVWPKT-INIZCTEOSA-N 1 3 325.501 0.748 20 0 ECADHO CCN1CC[C@H]1CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000890071308 591125620 /nfs/dbraw/zinc/12/56/20/591125620.db2.gz UUYOAJCWXVWPKT-INIZCTEOSA-N 1 3 325.501 0.748 20 0 ECADHO CCO[C@H](CNC(=O)C(=O)NC[C@H]1CCCCN1CC)C[NH+](C)C ZINC000929956952 611371863 /nfs/dbraw/zinc/37/18/63/611371863.db2.gz XOPWSBXZMIUAQJ-HUUCEWRRSA-N 1 3 342.484 0.060 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000925329931 611470044 /nfs/dbraw/zinc/47/00/44/611470044.db2.gz PZYKBCNLJOZMMS-KFWWJZLASA-N 1 3 337.468 0.027 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000925329931 611470046 /nfs/dbraw/zinc/47/00/46/611470046.db2.gz PZYKBCNLJOZMMS-KFWWJZLASA-N 1 3 337.468 0.027 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779354 611472289 /nfs/dbraw/zinc/47/22/89/611472289.db2.gz NPNALYFXDOLXPE-XUWVNRHRSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779354 611472291 /nfs/dbraw/zinc/47/22/91/611472291.db2.gz NPNALYFXDOLXPE-XUWVNRHRSA-N 1 3 336.480 0.515 20 0 ECADHO CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)CC[C@@H]3C2)C1=O ZINC000946801056 611490557 /nfs/dbraw/zinc/49/05/57/611490557.db2.gz XNBKHTRIIQXEDL-LZWOXQAQSA-N 1 3 345.447 0.353 20 0 ECADHO CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)CC[C@@H]3C2)C1=O ZINC000946801056 611490559 /nfs/dbraw/zinc/49/05/59/611490559.db2.gz XNBKHTRIIQXEDL-LZWOXQAQSA-N 1 3 345.447 0.353 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC000947072154 611575075 /nfs/dbraw/zinc/57/50/75/611575075.db2.gz AJDKJYWVGUTRIP-GOEBONIOSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC000947072154 611575078 /nfs/dbraw/zinc/57/50/78/611575078.db2.gz AJDKJYWVGUTRIP-GOEBONIOSA-N 1 3 336.480 0.386 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000931957112 611588314 /nfs/dbraw/zinc/58/83/14/611588314.db2.gz IXXWLCBFJPEWBT-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000931957112 611588315 /nfs/dbraw/zinc/58/83/15/611588315.db2.gz IXXWLCBFJPEWBT-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)[C@H](C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1)N(C)C ZINC000949182205 608636064 /nfs/dbraw/zinc/63/60/64/608636064.db2.gz GHZVOWVOTZQGFX-OAHLLOKOSA-N 1 3 327.469 0.258 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000936908957 608644438 /nfs/dbraw/zinc/64/44/38/608644438.db2.gz DKFMGFJXEJSABL-GJZGRUSLSA-N 1 3 334.464 0.236 20 0 ECADHO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1CN([C@H]2CCOC2)C1 ZINC000928072308 608671361 /nfs/dbraw/zinc/67/13/61/608671361.db2.gz FZEPHJOPLMJBJR-RRFJBIMHSA-N 1 3 325.478 0.403 20 0 ECADHO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C1CN([C@H]2CCOC2)C1 ZINC000928072308 608671362 /nfs/dbraw/zinc/67/13/62/608671362.db2.gz FZEPHJOPLMJBJR-RRFJBIMHSA-N 1 3 325.478 0.403 20 0 ECADHO O=C(N[C@@H]1CCCN2CCSC[C@H]12)C1C[NH+]([C@H]2CCOC2)C1 ZINC000928072308 608671364 /nfs/dbraw/zinc/67/13/64/608671364.db2.gz FZEPHJOPLMJBJR-RRFJBIMHSA-N 1 3 325.478 0.403 20 0 ECADHO COCCOCCOCC[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000931548600 608794180 /nfs/dbraw/zinc/79/41/80/608794180.db2.gz IPWGRHVOPCDOGL-UHFFFAOYSA-N 1 3 329.485 0.378 20 0 ECADHO CCO[C@H](CN1C(=O)N[C@@H](CN2CCCCC2)C1=O)C[NH+](C)C ZINC000925235119 608959234 /nfs/dbraw/zinc/95/92/34/608959234.db2.gz JNZSHJJSQPHPLU-KBPBESRZSA-N 1 3 326.441 0.359 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907806870 609620504 /nfs/dbraw/zinc/62/05/04/609620504.db2.gz IOOZIDGJXZSJPC-CRAIPNDOSA-N 1 3 339.480 0.545 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907806870 609620506 /nfs/dbraw/zinc/62/05/06/609620506.db2.gz IOOZIDGJXZSJPC-CRAIPNDOSA-N 1 3 339.480 0.545 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)N[C@@H](CO)CN2CCCC2)[C@@H](c2ccccc2)C1 ZINC000908202778 609647181 /nfs/dbraw/zinc/64/71/81/609647181.db2.gz KDOOAEXLMWYHIC-KURKYZTESA-N 1 3 331.460 0.905 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N[C@@H](CO)CN2CCCC2)[C@@H](c2ccccc2)C1 ZINC000908202778 609647182 /nfs/dbraw/zinc/64/71/82/609647182.db2.gz KDOOAEXLMWYHIC-KURKYZTESA-N 1 3 331.460 0.905 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000913436686 609671677 /nfs/dbraw/zinc/67/16/77/609671677.db2.gz LCHDEHJWQLUBEH-FMKPAKJESA-N 1 3 345.509 0.152 20 0 ECADHO CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000910735518 609753942 /nfs/dbraw/zinc/75/39/42/609753942.db2.gz CGLYKCRMGUVXED-HNNXBMFYSA-N 1 3 340.512 0.975 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)Cc1ccccc1 ZINC000910963631 609783597 /nfs/dbraw/zinc/78/35/97/609783597.db2.gz SQMRKGDISOLYIJ-HOTGVXAUSA-N 1 3 346.475 0.390 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000911027557 609791840 /nfs/dbraw/zinc/79/18/40/609791840.db2.gz DLVGSWNPULCPGV-OAGGEKHMSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC000911054060 609795587 /nfs/dbraw/zinc/79/55/87/609795587.db2.gz CHEGLLWYIJJICX-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1CC[NH3+] ZINC000911324476 609847669 /nfs/dbraw/zinc/84/76/69/609847669.db2.gz DFXKZLKQTMASPF-KLHDSHLOSA-N 1 3 336.480 0.563 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911325129 609848278 /nfs/dbraw/zinc/84/82/78/609848278.db2.gz OSXUYUFCRWWMRZ-ZJIFWQFVSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000911382258 609861164 /nfs/dbraw/zinc/86/11/64/609861164.db2.gz IGKIWEBKGKSHMJ-OWCLPIDISA-N 1 3 336.480 0.435 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC000911731696 609909702 /nfs/dbraw/zinc/90/97/02/609909702.db2.gz XGOQBHTVTDHXMW-OAHLLOKOSA-N 1 3 346.431 0.096 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC000911731694 609909714 /nfs/dbraw/zinc/90/97/14/609909714.db2.gz XGOQBHTVTDHXMW-HNNXBMFYSA-N 1 3 346.431 0.096 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000939700536 610091917 /nfs/dbraw/zinc/09/19/17/610091917.db2.gz RQJPKMLFJCCVIH-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000940842521 610395857 /nfs/dbraw/zinc/39/58/57/610395857.db2.gz IPXONLZEWPWVDV-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000940842521 610395859 /nfs/dbraw/zinc/39/58/59/610395859.db2.gz IPXONLZEWPWVDV-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842521 610395862 /nfs/dbraw/zinc/39/58/62/610395862.db2.gz IPXONLZEWPWVDV-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842521 610395865 /nfs/dbraw/zinc/39/58/65/610395865.db2.gz IPXONLZEWPWVDV-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000940952010 610445250 /nfs/dbraw/zinc/44/52/50/610445250.db2.gz IHVKUPLKOJRYCL-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000940952010 610445251 /nfs/dbraw/zinc/44/52/51/610445251.db2.gz IHVKUPLKOJRYCL-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC000941675987 610448658 /nfs/dbraw/zinc/44/86/58/610448658.db2.gz TWMNLHXNFKXJFF-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942798983 610626368 /nfs/dbraw/zinc/62/63/68/610626368.db2.gz QVUDESODBNFPDL-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942798983 610626370 /nfs/dbraw/zinc/62/63/70/610626370.db2.gz QVUDESODBNFPDL-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)CCC1 ZINC000941305885 610658401 /nfs/dbraw/zinc/65/84/01/610658401.db2.gz XNOWULRFTCZMMR-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CNC(=O)C1 ZINC000923198982 611213576 /nfs/dbraw/zinc/21/35/76/611213576.db2.gz LIDZXXWAYQZFHC-KBPBESRZSA-N 1 3 327.473 0.084 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CNC(=O)C1 ZINC000923198982 611213577 /nfs/dbraw/zinc/21/35/77/611213577.db2.gz LIDZXXWAYQZFHC-KBPBESRZSA-N 1 3 327.473 0.084 20 0 ECADHO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1)N1CCC1 ZINC000946892954 611232888 /nfs/dbraw/zinc/23/28/88/611232888.db2.gz UBMFOCCCUNLGBN-CALCHBBNSA-N 1 3 348.491 0.485 20 0 ECADHO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1)N1CCC1 ZINC000946892954 611232889 /nfs/dbraw/zinc/23/28/89/611232889.db2.gz UBMFOCCCUNLGBN-CALCHBBNSA-N 1 3 348.491 0.485 20 0 ECADHO CCCCOC[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416750 611239196 /nfs/dbraw/zinc/23/91/96/611239196.db2.gz YZDDAUKUDSMEHU-XQLPTFJDSA-N 1 3 327.425 0.031 20 0 ECADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@H](O)Cc2ccccc2)C1 ZINC000923415424 611241083 /nfs/dbraw/zinc/24/10/83/611241083.db2.gz PQIMALWXJNXGBU-HZMVEIRTSA-N 1 3 331.416 0.457 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000923498870 611252080 /nfs/dbraw/zinc/25/20/80/611252080.db2.gz QNGQQTOYWRWUIV-BRWVUGGUSA-N 1 3 340.512 0.376 20 0 ECADHO O=S(=O)(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCNCC1 ZINC000923656088 611336905 /nfs/dbraw/zinc/33/69/05/611336905.db2.gz XMUFXNUDKZDFQS-GJZGRUSLSA-N 1 3 342.440 0.011 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(CC2CN(S(C)(=O)=O)C2)C1 ZINC000929771623 611792474 /nfs/dbraw/zinc/79/24/74/611792474.db2.gz QXAXBMBXNBKFBG-OAHLLOKOSA-N 1 3 333.498 0.311 20 0 ECADHO CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CN3CC4CC3(C4)CO1)CCO2 ZINC000949147844 611875718 /nfs/dbraw/zinc/87/57/18/611875718.db2.gz OLDQHFPKHYNNLK-PQUAAJSLSA-N 1 3 349.475 0.563 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954502751 612338412 /nfs/dbraw/zinc/33/84/12/612338412.db2.gz HKNGGNOVDGZCMT-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954502751 612338416 /nfs/dbraw/zinc/33/84/16/612338416.db2.gz HKNGGNOVDGZCMT-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N(C)C2CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000955197818 612341791 /nfs/dbraw/zinc/34/17/91/612341791.db2.gz FAFLTRQZZVFDLA-UHFFFAOYSA-N 1 3 347.463 0.742 20 0 ECADHO CN(C(=O)CN1CCC(C)(C)C1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000955346211 612475714 /nfs/dbraw/zinc/47/57/14/612475714.db2.gz HVZSDSVYLJRRPI-UHFFFAOYSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000955349025 612480420 /nfs/dbraw/zinc/48/04/20/612480420.db2.gz HRJGJMQBZUCRHQ-DZGCQCFKSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000955349025 612480424 /nfs/dbraw/zinc/48/04/24/612480424.db2.gz HRJGJMQBZUCRHQ-DZGCQCFKSA-N 1 3 336.480 0.338 20 0 ECADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954954683 612817106 /nfs/dbraw/zinc/81/71/06/612817106.db2.gz BQRLXOCXIYCMSH-HNNXBMFYSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954276332 612817775 /nfs/dbraw/zinc/81/77/75/612817775.db2.gz RKAGYYNARRTGGZ-JKSUJKDBSA-N 1 3 336.480 0.623 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954276332 612817776 /nfs/dbraw/zinc/81/77/76/612817776.db2.gz RKAGYYNARRTGGZ-JKSUJKDBSA-N 1 3 336.480 0.623 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000954325337 612856427 /nfs/dbraw/zinc/85/64/27/612856427.db2.gz HIYRABQHLFSAHP-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000954325337 612856429 /nfs/dbraw/zinc/85/64/29/612856429.db2.gz HIYRABQHLFSAHP-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000954325289 612856925 /nfs/dbraw/zinc/85/69/25/612856925.db2.gz FQBQDOYVSHOXNS-WBVHZDCISA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000954325289 612856927 /nfs/dbraw/zinc/85/69/27/612856927.db2.gz FQBQDOYVSHOXNS-WBVHZDCISA-N 1 3 348.491 0.768 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000956497035 612904029 /nfs/dbraw/zinc/90/40/29/612904029.db2.gz KJFMSSIBVGOGSG-UKRRQHHQSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000956497035 612904032 /nfs/dbraw/zinc/90/40/32/612904032.db2.gz KJFMSSIBVGOGSG-UKRRQHHQSA-N 1 3 347.463 0.647 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(N(C/C=C/Cl)CCO)CC2)C1 ZINC001098560909 735436857 /nfs/dbraw/zinc/43/68/57/735436857.db2.gz HLZKINMZPHZWMH-XCVZWFEFSA-N 1 3 329.872 0.976 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC(N(C/C=C/Cl)CCO)CC2)C1 ZINC001098560909 735436860 /nfs/dbraw/zinc/43/68/60/735436860.db2.gz HLZKINMZPHZWMH-XCVZWFEFSA-N 1 3 329.872 0.976 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788313 782209736 /nfs/dbraw/zinc/20/97/36/782209736.db2.gz BQXPQWJTSZJXRD-CRAIPNDOSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H](N[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1)C(N)=O ZINC000969458447 731904224 /nfs/dbraw/zinc/90/42/24/731904224.db2.gz PJXCVXDVTNCFGT-UKRRQHHQSA-N 1 3 332.448 0.469 20 0 ECADHO CO[C@H](C)CN1CC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969686331 732048069 /nfs/dbraw/zinc/04/80/69/732048069.db2.gz AOVKXWOVPJWQSB-ZIAGYGMSSA-N 1 3 337.468 0.530 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@@H]2CCN(C(C)C)C2=O)C1)[NH+](C)C ZINC000969844816 732435125 /nfs/dbraw/zinc/43/51/25/732435125.db2.gz QXEZNLIJTGPAFM-BZUAXINKSA-N 1 3 338.496 0.772 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1)N(C)C ZINC000969985389 732588364 /nfs/dbraw/zinc/58/83/64/732588364.db2.gz GFIKPDYEELBVMT-KFWWJZLASA-N 1 3 338.496 0.917 20 0 ECADHO CC(C)NC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225732 733069179 /nfs/dbraw/zinc/06/91/79/733069179.db2.gz YVMPJUOGNVSBKH-HNNXBMFYSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H](NC(=O)c1occc1CN(C)C)C1C[NH+](CCn2cncn2)C1 ZINC000970338792 733372761 /nfs/dbraw/zinc/37/27/61/733372761.db2.gz HROLXDLTVRMYPU-CYBMUJFWSA-N 1 3 346.435 0.683 20 0 ECADHO Cn1cc(CN[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC000970356572 733407144 /nfs/dbraw/zinc/40/71/44/733407144.db2.gz CJKMRVYBCHFUCP-OAHLLOKOSA-N 1 3 335.452 0.221 20 0 ECADHO Cn1nccc1CNC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025140357 738716269 /nfs/dbraw/zinc/71/62/69/738716269.db2.gz BAANCUCNUSFCGW-MRXNPFEDSA-N 1 3 331.464 0.987 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001211286528 734250522 /nfs/dbraw/zinc/25/05/22/734250522.db2.gz VPDCLBWACDMWKR-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322660 734301860 /nfs/dbraw/zinc/30/18/60/734301860.db2.gz WFASGKVGNKHKSX-VQHPVUNQSA-N 1 3 343.512 0.654 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000971205017 734361127 /nfs/dbraw/zinc/36/11/27/734361127.db2.gz RRILJMCIZVTLPA-JKSUJKDBSA-N 1 3 332.448 0.512 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000971205017 734361130 /nfs/dbraw/zinc/36/11/30/734361130.db2.gz RRILJMCIZVTLPA-JKSUJKDBSA-N 1 3 332.448 0.512 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001104362880 734723764 /nfs/dbraw/zinc/72/37/64/734723764.db2.gz NSORRVLLJILDMT-HZSPNIEDSA-N 1 3 326.485 0.665 20 0 ECADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)N1CCCC1 ZINC001112507000 734967454 /nfs/dbraw/zinc/96/74/54/734967454.db2.gz QZPHBKXMFGUKQO-KSSFIOAISA-N 1 3 336.480 0.564 20 0 ECADHO O=C(CN1CCCC1)N1CCC([N@H+](CCO)Cc2cccnc2)CC1 ZINC001098562286 735559898 /nfs/dbraw/zinc/55/98/98/735559898.db2.gz WAZBOTUGBOFDKV-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO O=C(CN1CCCC1)N1CCC([N@@H+](CCO)Cc2cccnc2)CC1 ZINC001098562286 735559900 /nfs/dbraw/zinc/55/99/00/735559900.db2.gz WAZBOTUGBOFDKV-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1)[NH+](C)C ZINC000972267376 735865119 /nfs/dbraw/zinc/86/51/19/735865119.db2.gz ULXZZNZWWJKLEC-LSDHHAIUSA-N 1 3 339.484 0.131 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC000972333867 735959344 /nfs/dbraw/zinc/95/93/44/735959344.db2.gz YDIXFNUQBFGBCU-DOTOQJQBSA-N 1 3 333.480 0.980 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC000972333867 735959345 /nfs/dbraw/zinc/95/93/45/735959345.db2.gz YDIXFNUQBFGBCU-DOTOQJQBSA-N 1 3 333.480 0.980 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022975569 736345092 /nfs/dbraw/zinc/34/50/92/736345092.db2.gz OQPSZVMOVDWEPT-APIJFGDWSA-N 1 3 334.468 0.672 20 0 ECADHO CN(C)c1ccncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001022984797 736357842 /nfs/dbraw/zinc/35/78/42/736357842.db2.gz QKXPPNHRUNQGML-TXEJJXNPSA-N 1 3 329.408 0.327 20 0 ECADHO O=C(NC[C@H]1CCCN([C@@H]2CCCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001023465474 736871812 /nfs/dbraw/zinc/87/18/12/736871812.db2.gz SYNGXVUMMAGMQH-HZPDHXFCSA-N 1 3 348.491 0.722 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023572692 737025021 /nfs/dbraw/zinc/02/50/21/737025021.db2.gz LFJRIDSNPJDKGA-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNCc2cnnn2C)C1 ZINC001087246614 737096471 /nfs/dbraw/zinc/09/64/71/737096471.db2.gz XPUOIQFWWLWMJS-ILXRZTDVSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](CNCc2cnnn2C)C1 ZINC001087246614 737096476 /nfs/dbraw/zinc/09/64/76/737096476.db2.gz XPUOIQFWWLWMJS-ILXRZTDVSA-N 1 3 334.468 0.484 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023707190 737224604 /nfs/dbraw/zinc/22/46/04/737224604.db2.gz LTOWSKJRPVTYOI-ZDUSSCGKSA-N 1 3 333.436 0.335 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023707190 737224607 /nfs/dbraw/zinc/22/46/07/737224607.db2.gz LTOWSKJRPVTYOI-ZDUSSCGKSA-N 1 3 333.436 0.335 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)nn1 ZINC001023889357 737464473 /nfs/dbraw/zinc/46/44/73/737464473.db2.gz NCPZPDOBRCITQZ-GOEBONIOSA-N 1 3 347.463 0.908 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001024180313 737801783 /nfs/dbraw/zinc/80/17/83/737801783.db2.gz VGFYYMDYWULDMS-CABCVRRESA-N 1 3 347.463 0.697 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001006460162 751410316 /nfs/dbraw/zinc/41/03/16/751410316.db2.gz ZLSYTNIIVKVXNV-CABCVRRESA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000973466226 739335317 /nfs/dbraw/zinc/33/53/17/739335317.db2.gz KSGFBEMWVWPVGF-KLHDSHLOSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000973466226 739335321 /nfs/dbraw/zinc/33/53/21/739335321.db2.gz KSGFBEMWVWPVGF-KLHDSHLOSA-N 1 3 336.480 0.433 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1)N(C)C ZINC001104691940 739490328 /nfs/dbraw/zinc/49/03/28/739490328.db2.gz ZHEAHGGAGIZZRG-OAGGEKHMSA-N 1 3 329.485 0.410 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000988087895 751517156 /nfs/dbraw/zinc/51/71/56/751517156.db2.gz CDDUVNWSRIAYSU-FMKPAKJESA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000988087895 751517161 /nfs/dbraw/zinc/51/71/61/751517161.db2.gz CDDUVNWSRIAYSU-FMKPAKJESA-N 1 3 336.480 0.528 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001104937512 740971379 /nfs/dbraw/zinc/97/13/79/740971379.db2.gz BJSBYBBQOJNWPF-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000974164145 741039969 /nfs/dbraw/zinc/03/99/69/741039969.db2.gz YJFNHGCNZMOKGA-QMCVQRASSA-N 1 3 348.491 0.433 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020432669 751600736 /nfs/dbraw/zinc/60/07/36/751600736.db2.gz UDULLTHOAYCYGQ-DZKIICNBSA-N 1 3 332.452 0.426 20 0 ECADHO Cn1ncc(CN[C@@H]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]23)n1 ZINC001026400412 741234809 /nfs/dbraw/zinc/23/48/09/741234809.db2.gz JHAVZIZMZNXANU-VNQPRFMTSA-N 1 3 344.463 0.238 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)c1 ZINC001026427508 741356006 /nfs/dbraw/zinc/35/60/06/741356006.db2.gz OZNGVGFKYFPUFW-BBWFWOEESA-N 1 3 344.459 0.674 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3cnnn3C)CC2)C1 ZINC001026561352 741556115 /nfs/dbraw/zinc/55/61/15/741556115.db2.gz XJEOMMIRHFIESY-WLYUNCDWSA-N 1 3 334.468 0.674 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259866 741586458 /nfs/dbraw/zinc/58/64/58/741586458.db2.gz PSRDVIFKNZMHPW-INIZCTEOSA-N 1 3 334.468 0.747 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)n1 ZINC001026922815 742109240 /nfs/dbraw/zinc/10/92/40/742109240.db2.gz SBHPKYOLJFQDGL-GOEBONIOSA-N 1 3 347.463 0.908 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026935307 742117996 /nfs/dbraw/zinc/11/79/96/742117996.db2.gz LSRFUABTPHXVGW-NVXWUHKLSA-N 1 3 348.495 0.874 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026935307 742117997 /nfs/dbraw/zinc/11/79/97/742117997.db2.gz LSRFUABTPHXVGW-NVXWUHKLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1nncn1C ZINC001026939626 742135284 /nfs/dbraw/zinc/13/52/84/742135284.db2.gz MBPPQUZKTRNMQL-GJZGRUSLSA-N 1 3 346.479 0.943 20 0 ECADHO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001027066113 742439066 /nfs/dbraw/zinc/43/90/66/742439066.db2.gz LZSFKASHTPZBDY-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)(C)N1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091149 742523833 /nfs/dbraw/zinc/52/38/33/742523833.db2.gz FEYMDPVJKZFYIG-UKRRQHHQSA-N 1 3 347.463 0.790 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000975291488 742694482 /nfs/dbraw/zinc/69/44/82/742694482.db2.gz HTJVEVLSOYPGKI-KBPBESRZSA-N 1 3 333.436 0.259 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000975291488 742694483 /nfs/dbraw/zinc/69/44/83/742694483.db2.gz HTJVEVLSOYPGKI-KBPBESRZSA-N 1 3 333.436 0.259 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001027172961 743004019 /nfs/dbraw/zinc/00/40/19/743004019.db2.gz INZCMJHAQLJESN-CQSZACIVSA-N 1 3 332.452 0.332 20 0 ECADHO C[C@@H](NC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1nncn1C ZINC000997008466 743123128 /nfs/dbraw/zinc/12/31/28/743123128.db2.gz UVJHRCGJRPWZBF-ZIAGYGMSSA-N 1 3 334.468 0.799 20 0 ECADHO C[C@@H](NC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1nncn1C ZINC000997008466 743123136 /nfs/dbraw/zinc/12/31/36/743123136.db2.gz UVJHRCGJRPWZBF-ZIAGYGMSSA-N 1 3 334.468 0.799 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1 ZINC000997008943 743124069 /nfs/dbraw/zinc/12/40/69/743124069.db2.gz NJAWSUSKDPKINV-BBRMVZONSA-N 1 3 347.463 0.764 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1 ZINC000997008943 743124073 /nfs/dbraw/zinc/12/40/73/743124073.db2.gz NJAWSUSKDPKINV-BBRMVZONSA-N 1 3 347.463 0.764 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)N2CCCCC2)CC1)N(C)C ZINC000997009730 743125286 /nfs/dbraw/zinc/12/52/86/743125286.db2.gz MXGSECSKFARFHK-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000997014572 743132139 /nfs/dbraw/zinc/13/21/39/743132139.db2.gz ZPRHXHNUVNQUJE-XJBGLIRHSA-N 1 3 345.447 0.541 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000997014572 743132143 /nfs/dbraw/zinc/13/21/43/743132143.db2.gz ZPRHXHNUVNQUJE-XJBGLIRHSA-N 1 3 345.447 0.541 20 0 ECADHO CCn1cc(CC[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cn1 ZINC000997040460 743161322 /nfs/dbraw/zinc/16/13/22/743161322.db2.gz GYAIXPZPKIEHHZ-UHFFFAOYSA-N 1 3 330.436 0.992 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNCc3cn(CC4CC4)nn3)C2)C1 ZINC001027216092 743190747 /nfs/dbraw/zinc/19/07/47/743190747.db2.gz QYPSITWQOBKTJW-JKSUJKDBSA-N 1 3 346.479 0.578 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNCc3cn(CC4CC4)nn3)C2)C1 ZINC001027216092 743190755 /nfs/dbraw/zinc/19/07/55/743190755.db2.gz QYPSITWQOBKTJW-JKSUJKDBSA-N 1 3 346.479 0.578 20 0 ECADHO COc1coc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC001027218149 743195829 /nfs/dbraw/zinc/19/58/29/743195829.db2.gz YRIRGFOPQDJPGD-AWEZNQCLSA-N 1 3 349.431 0.682 20 0 ECADHO COc1cncc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000997302300 743464673 /nfs/dbraw/zinc/46/46/73/743464673.db2.gz LEYSRPXRAICNNP-UHFFFAOYSA-N 1 3 333.436 0.662 20 0 ECADHO COc1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)nn1 ZINC000997306256 743468662 /nfs/dbraw/zinc/46/86/62/743468662.db2.gz BAMCPDHKIVCSLA-UHFFFAOYSA-N 1 3 333.436 0.662 20 0 ECADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC000997307815 743471303 /nfs/dbraw/zinc/47/13/03/743471303.db2.gz WJPRGOUDQJDWHG-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001020589147 751852708 /nfs/dbraw/zinc/85/27/08/751852708.db2.gz XWFJAPKXXURHNK-JYJNAYRXSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CC(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1)C1CCC1 ZINC000997829853 743841226 /nfs/dbraw/zinc/84/12/26/743841226.db2.gz DJVPEQFOFCDTDV-INIZCTEOSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC000997871542 743860842 /nfs/dbraw/zinc/86/08/42/743860842.db2.gz LGXRESJHYUQZQZ-LTIDMASMSA-N 1 3 348.491 0.671 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000998050783 743948548 /nfs/dbraw/zinc/94/85/48/743948548.db2.gz HDSKRZATGJRRAD-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000998050783 743948550 /nfs/dbraw/zinc/94/85/50/743948550.db2.gz HDSKRZATGJRRAD-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000998050776 743948831 /nfs/dbraw/zinc/94/88/31/743948831.db2.gz HDSKRZATGJRRAD-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000998050776 743948834 /nfs/dbraw/zinc/94/88/34/743948834.db2.gz HDSKRZATGJRRAD-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCc3ncnn32)CC1)N(C)C ZINC000998086812 743971650 /nfs/dbraw/zinc/97/16/50/743971650.db2.gz UIDRDVQQESHRLF-CVEARBPZSA-N 1 3 348.495 0.934 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC001020632994 751919691 /nfs/dbraw/zinc/91/96/91/751919691.db2.gz BRSRQEPMMSUUPZ-YDHLFZDLSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC001020632994 751919692 /nfs/dbraw/zinc/91/96/92/751919692.db2.gz BRSRQEPMMSUUPZ-YDHLFZDLSA-N 1 3 333.436 0.400 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC000999145295 744534368 /nfs/dbraw/zinc/53/43/68/744534368.db2.gz QHRRBWYJNDOOGL-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC000999145295 744534373 /nfs/dbraw/zinc/53/43/73/744534373.db2.gz QHRRBWYJNDOOGL-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999161191 744542130 /nfs/dbraw/zinc/54/21/30/744542130.db2.gz HQNFSHPHHXXSBS-LSDHHAIUSA-N 1 3 336.480 0.707 20 0 ECADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999161191 744542132 /nfs/dbraw/zinc/54/21/32/744542132.db2.gz HQNFSHPHHXXSBS-LSDHHAIUSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCc3cnn(C)c3)C2)C1 ZINC000999407148 744681114 /nfs/dbraw/zinc/68/11/14/744681114.db2.gz DGVPIXSFZTWMFB-OOHWJJMZSA-N 1 3 333.480 0.883 20 0 ECADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC000999408625 744681563 /nfs/dbraw/zinc/68/15/63/744681563.db2.gz MFRRZZXCKYCIBO-YMAMQOFZSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(N1CCC[C@H](N[C@@H]2CCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC000999491756 744720323 /nfs/dbraw/zinc/72/03/23/744720323.db2.gz XALZKRBZANDBEL-LSDHHAIUSA-N 1 3 334.464 0.332 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000999498609 744724925 /nfs/dbraw/zinc/72/49/25/744724925.db2.gz WXGSBCOBQGVYJL-JKSUJKDBSA-N 1 3 334.464 0.806 20 0 ECADHO C[C@H](C(N)=O)N(C)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480074 744725041 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ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001000193349 745329581 /nfs/dbraw/zinc/32/95/81/745329581.db2.gz PMYQHEVTXIYSDD-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO O=C(CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCCC1 ZINC001000714394 745717093 /nfs/dbraw/zinc/71/70/93/745717093.db2.gz ZFKUVCUFEVUUNL-OAHLLOKOSA-N 1 3 334.464 0.285 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)[C@@H]1CCCN1C)C(=O)C12CC[NH+](CC1)C2 ZINC000978052458 745862079 /nfs/dbraw/zinc/86/20/79/745862079.db2.gz JHIIXBYPCUGHRY-GJZGRUSLSA-N 1 3 334.464 0.236 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978840345 746766869 /nfs/dbraw/zinc/76/68/69/746766869.db2.gz NCKMQSJZVZMIMZ-CAOSSQGBSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000978840345 746766875 /nfs/dbraw/zinc/76/68/75/746766875.db2.gz NCKMQSJZVZMIMZ-CAOSSQGBSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 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CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)CCC1 ZINC001002799083 747801060 /nfs/dbraw/zinc/80/10/60/747801060.db2.gz YHDXREWOZDEIRC-FPCVCCKLSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)CCC1 ZINC001002799083 747801067 /nfs/dbraw/zinc/80/10/67/747801067.db2.gz YHDXREWOZDEIRC-FPCVCCKLSA-N 1 3 348.491 0.671 20 0 ECADHO C[C@H](NCc1cncn1C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979457584 747878054 /nfs/dbraw/zinc/87/80/54/747878054.db2.gz XNZFLUPGJOTPNW-HOCLYGCPSA-N 1 3 347.463 0.221 20 0 ECADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985542620 748438310 /nfs/dbraw/zinc/43/83/10/748438310.db2.gz ADVIBNKKTPOSDI-DFFOAJLQSA-N 1 3 337.464 0.153 20 0 ECADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985542620 748438315 /nfs/dbraw/zinc/43/83/15/748438315.db2.gz ADVIBNKKTPOSDI-DFFOAJLQSA-N 1 3 337.464 0.153 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001003633376 748745952 /nfs/dbraw/zinc/74/59/52/748745952.db2.gz GOHGSTNAXLJLPY-PBHICJAKSA-N 1 3 333.480 0.741 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001003633376 748745957 /nfs/dbraw/zinc/74/59/57/748745957.db2.gz GOHGSTNAXLJLPY-PBHICJAKSA-N 1 3 333.480 0.741 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1 ZINC000985646815 748791923 /nfs/dbraw/zinc/79/19/23/748791923.db2.gz LMRUGHIKSALEKJ-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1 ZINC000985646815 748791927 /nfs/dbraw/zinc/79/19/27/748791927.db2.gz LMRUGHIKSALEKJ-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001088340942 748812700 /nfs/dbraw/zinc/81/27/00/748812700.db2.gz SLGSDUHLDSIWJG-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001088340942 748812706 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CC1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001029876059 749286096 /nfs/dbraw/zinc/28/60/96/749286096.db2.gz RPIHQGBJGMEIOF-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CC[C@H](N(C)C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001029888983 749427746 /nfs/dbraw/zinc/42/77/46/749427746.db2.gz REHJKUINNBNLGP-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004475989 749545933 /nfs/dbraw/zinc/54/59/33/749545933.db2.gz WJERPXICKWIBMM-CVEARBPZSA-N 1 3 336.480 0.659 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004475989 749545939 /nfs/dbraw/zinc/54/59/39/749545939.db2.gz WJERPXICKWIBMM-CVEARBPZSA-N 1 3 336.480 0.659 20 0 ECADHO CCn1cc(CNC[C@@H]2C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC000980690403 749975479 /nfs/dbraw/zinc/97/54/79/749975479.db2.gz QAIQZZJXYPRXIF-GJZGRUSLSA-N 1 3 348.495 0.966 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC001029947270 750028721 /nfs/dbraw/zinc/02/87/21/750028721.db2.gz MMMGDYWIZSKHSK-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC001029947270 750028728 /nfs/dbraw/zinc/02/87/28/750028728.db2.gz MMMGDYWIZSKHSK-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](NCc1cnnn1C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004976898 750091618 /nfs/dbraw/zinc/09/16/18/750091618.db2.gz HBFRMWOLGMZTJM-GDBMZVCRSA-N 1 3 346.479 0.770 20 0 ECADHO C[C@H]1C[C@@H](CNCc2ccn(C)n2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766679 750119532 /nfs/dbraw/zinc/11/95/32/750119532.db2.gz FRFDSODTCYIULI-GJZGRUSLSA-N 1 3 331.464 0.843 20 0 ECADHO CCn1cc(CNC[C@@H]2C[C@@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000980767462 750121418 /nfs/dbraw/zinc/12/14/18/750121418.db2.gz NIQRJRSVBQQIQR-CABCVRRESA-N 1 3 346.479 0.720 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCN(CC)C2=O)CC1 ZINC001167836038 750507955 /nfs/dbraw/zinc/50/79/55/750507955.db2.gz OLCPJURCICQWQM-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005994212 750899742 /nfs/dbraw/zinc/89/97/42/750899742.db2.gz BPYCVXIPZAXELE-GDBMZVCRSA-N 1 3 334.468 0.399 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005994212 750899747 /nfs/dbraw/zinc/89/97/47/750899747.db2.gz BPYCVXIPZAXELE-GDBMZVCRSA-N 1 3 334.468 0.399 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006180558 751092985 /nfs/dbraw/zinc/09/29/85/751092985.db2.gz JANXMHXEMJWALX-LALPHHSUSA-N 1 3 333.436 0.256 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006180558 751092993 /nfs/dbraw/zinc/09/29/93/751092993.db2.gz JANXMHXEMJWALX-LALPHHSUSA-N 1 3 333.436 0.256 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000989053633 753188912 /nfs/dbraw/zinc/18/89/12/753188912.db2.gz BRSRQEPMMSUUPZ-NFAWXSAZSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000989053633 753188915 /nfs/dbraw/zinc/18/89/15/753188915.db2.gz BRSRQEPMMSUUPZ-NFAWXSAZSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)C1 ZINC000989062657 753200138 /nfs/dbraw/zinc/20/01/38/753200138.db2.gz YCSBVJNJPXWXGJ-OAGGEKHMSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN1CC[C@H](C)C1 ZINC000989062662 753200541 /nfs/dbraw/zinc/20/05/41/753200541.db2.gz YCSBVJNJPXWXGJ-XHSDSOJGSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1C[C@@H](NCC(=O)N2CCCC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989380535 753743657 /nfs/dbraw/zinc/74/36/57/753743657.db2.gz NZGOXIBFUNBUCW-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051508743 762243262 /nfs/dbraw/zinc/24/32/62/762243262.db2.gz FZNZJOGFCVTKFU-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)n1 ZINC000989493889 754039491 /nfs/dbraw/zinc/03/94/91/754039491.db2.gz XCIJZQJMIQAEQV-XHDPSFHLSA-N 1 3 331.424 0.440 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051517247 762263922 /nfs/dbraw/zinc/26/39/22/762263922.db2.gz ZNSGQAGKNBEFLF-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@@H]1C[C@@H](NCC(=O)N2CCCCC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989682223 754301661 /nfs/dbraw/zinc/30/16/61/754301661.db2.gz HSDTYXZQJZUXLD-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000925324617 754346240 /nfs/dbraw/zinc/34/62/40/754346240.db2.gz VSTHPXWJGPUPOD-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO C[C@H]1[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000925324617 754346246 /nfs/dbraw/zinc/34/62/46/754346246.db2.gz VSTHPXWJGPUPOD-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO COc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000990276342 754931935 /nfs/dbraw/zinc/93/19/35/754931935.db2.gz HPJCFKYUKYHVEQ-HNNXBMFYSA-N 1 3 333.436 0.660 20 0 ECADHO C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC2(CCN(CCO)CC2)O1 ZINC001098656731 755684413 /nfs/dbraw/zinc/68/44/13/755684413.db2.gz URWPGNNONKOHLX-JKSUJKDBSA-N 1 3 339.480 0.402 20 0 ECADHO C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC2(CCN(CCO)CC2)O1 ZINC001098656731 755684415 /nfs/dbraw/zinc/68/44/15/755684415.db2.gz URWPGNNONKOHLX-JKSUJKDBSA-N 1 3 339.480 0.402 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2N(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC001014284376 762441315 /nfs/dbraw/zinc/44/13/15/762441315.db2.gz BESAMEWGOKDXGM-DHSIGJKJSA-N 1 3 345.447 0.544 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2N(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC001014284376 762441317 /nfs/dbraw/zinc/44/13/17/762441317.db2.gz BESAMEWGOKDXGM-DHSIGJKJSA-N 1 3 345.447 0.544 20 0 ECADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H](CNCc2cccnc2)C1 ZINC001051615907 762481379 /nfs/dbraw/zinc/48/13/79/762481379.db2.gz DMZAWTOFRNDATN-ZWKOTPCHSA-N 1 3 344.459 0.740 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001076658119 756797311 /nfs/dbraw/zinc/79/73/11/756797311.db2.gz HFAQIEQACHDUJO-HOCLYGCPSA-N 1 3 338.496 0.681 20 0 ECADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624566 762502226 /nfs/dbraw/zinc/50/22/26/762502226.db2.gz RMPINCRAIFPQIO-HYVNUMGLSA-N 1 3 349.479 0.386 20 0 ECADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624566 762502227 /nfs/dbraw/zinc/50/22/27/762502227.db2.gz RMPINCRAIFPQIO-HYVNUMGLSA-N 1 3 349.479 0.386 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)cn1 ZINC001051624198 762501181 /nfs/dbraw/zinc/50/11/81/762501181.db2.gz MSGOGOWQTGSMME-XOKHGSTOSA-N 1 3 347.463 0.442 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)cn1 ZINC001051624198 762501185 /nfs/dbraw/zinc/50/11/85/762501185.db2.gz MSGOGOWQTGSMME-XOKHGSTOSA-N 1 3 347.463 0.442 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001076747310 756955438 /nfs/dbraw/zinc/95/54/38/756955438.db2.gz SXALQZVMQDIOFI-ZJIFWQFVSA-N 1 3 340.512 0.924 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001076747310 756955441 /nfs/dbraw/zinc/95/54/41/756955441.db2.gz SXALQZVMQDIOFI-ZJIFWQFVSA-N 1 3 340.512 0.924 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C[C@H](O)Cn1cccn1 ZINC001088836118 757010482 /nfs/dbraw/zinc/01/04/82/757010482.db2.gz GEGBNKPWLBOMHH-PVAVHDDUSA-N 1 3 349.479 0.165 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001011264538 757333971 /nfs/dbraw/zinc/33/39/71/757333971.db2.gz IGPRGNIFUMMLTH-RHSMWYFYSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001011264538 757333981 /nfs/dbraw/zinc/33/39/81/757333981.db2.gz IGPRGNIFUMMLTH-RHSMWYFYSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001011329517 757533232 /nfs/dbraw/zinc/53/32/32/757533232.db2.gz PKXCDWKJORIOCW-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H](CCNC(=O)[C@H](C1CC1)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001076956374 757741753 /nfs/dbraw/zinc/74/17/53/757741753.db2.gz MEXBSEHNZINLAO-ZFWWWQNUSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001076972143 757764609 /nfs/dbraw/zinc/76/46/09/757764609.db2.gz HOYIPPJRJPBSKI-GJZGRUSLSA-N 1 3 340.512 0.925 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2cncn2C)C1 ZINC001051647190 762574208 /nfs/dbraw/zinc/57/42/08/762574208.db2.gz LPHOSPZRWZHKLP-SJORKVTESA-N 1 3 349.479 0.612 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2cncn2C)C1 ZINC001051647190 762574212 /nfs/dbraw/zinc/57/42/12/762574212.db2.gz LPHOSPZRWZHKLP-SJORKVTESA-N 1 3 349.479 0.612 20 0 ECADHO CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]3C2)C1=O ZINC001049055766 757796235 /nfs/dbraw/zinc/79/62/35/757796235.db2.gz IWTMEYJTZUMHCP-OWCLPIDISA-N 1 3 348.491 0.339 20 0 ECADHO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]3C2)C1=O ZINC001049055766 757796239 /nfs/dbraw/zinc/79/62/39/757796239.db2.gz IWTMEYJTZUMHCP-OWCLPIDISA-N 1 3 348.491 0.339 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001049057217 757807241 /nfs/dbraw/zinc/80/72/41/757807241.db2.gz MVIBGJREEKQDQG-XUWVNRHRSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001049057217 757807257 /nfs/dbraw/zinc/80/72/57/757807257.db2.gz MVIBGJREEKQDQG-XUWVNRHRSA-N 1 3 348.491 0.528 20 0 ECADHO CC[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014440 757943985 /nfs/dbraw/zinc/94/39/85/757943985.db2.gz WXPJBFDQEIDWHR-NUEKZKHPSA-N 1 3 337.468 0.266 20 0 ECADHO Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000996624555 758243470 /nfs/dbraw/zinc/24/34/70/758243470.db2.gz YPAUEARVIIMAPW-RDJZCZTQSA-N 1 3 347.463 0.364 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001022090039 758262715 /nfs/dbraw/zinc/26/27/15/758262715.db2.gz SDOGQRBQIWTDMP-HLLBOEOZSA-N 1 3 329.448 0.864 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3n[nH]c(C4CC4)n3)C2)CC[N@@H+]1C ZINC001022104681 758282577 /nfs/dbraw/zinc/28/25/77/758282577.db2.gz AKOKJNNCUSQZOT-RUZUBIRVSA-N 1 3 332.452 0.759 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3n[nH]c(C4CC4)n3)C2)CC[N@H+]1C ZINC001022104681 758282586 /nfs/dbraw/zinc/28/25/86/758282586.db2.gz AKOKJNNCUSQZOT-RUZUBIRVSA-N 1 3 332.452 0.759 20 0 ECADHO Cc1ccncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001022121841 758307439 /nfs/dbraw/zinc/30/74/39/758307439.db2.gz MEYXUNPPTRYJFD-XWTMOSNGSA-N 1 3 344.459 0.990 20 0 ECADHO CN(CC(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1)C1CCC1 ZINC000996665488 758412814 /nfs/dbraw/zinc/41/28/14/758412814.db2.gz MFKUFYRSWGULQU-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000996676370 758445855 /nfs/dbraw/zinc/44/58/55/758445855.db2.gz NGKRUQNLLYAQPH-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@@H](CNCc2ccnn2C)C1)[NH+](C)C ZINC001051666934 762638090 /nfs/dbraw/zinc/63/80/90/762638090.db2.gz IPJJWJNVPJGBTM-HOTGVXAUSA-N 1 3 337.468 0.323 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022454930 758746681 /nfs/dbraw/zinc/74/66/81/758746681.db2.gz COFKZOYDYGGTMI-RFROQXIJSA-N 1 3 349.475 0.656 20 0 ECADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001022711049 759023180 /nfs/dbraw/zinc/02/31/80/759023180.db2.gz RQNUVCFIIRYFRT-LSSIXWDNSA-N 1 3 328.432 0.310 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)C1 ZINC001022713227 759027659 /nfs/dbraw/zinc/02/76/59/759027659.db2.gz IGVMDLCWTXNZJU-MPTYRVRUSA-N 1 3 348.491 0.718 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2CCn1cncn1)[NH+](C)C ZINC001049711590 759118847 /nfs/dbraw/zinc/11/88/47/759118847.db2.gz NBWYEMFFAJFIGM-IXDOHACOSA-N 1 3 348.495 0.930 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001022807796 759129640 /nfs/dbraw/zinc/12/96/40/759129640.db2.gz NKVUIEWRBSELEM-QKPAOTATSA-N 1 3 336.480 0.765 20 0 ECADHO CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042654 759503660 /nfs/dbraw/zinc/50/36/60/759503660.db2.gz WUJKZZVYYOAAAI-OWCLPIDISA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](NCc1cnn(C)n1)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047975891 759761977 /nfs/dbraw/zinc/76/19/77/759761977.db2.gz PAAORDBGJBQGHM-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1cnn(C)n1)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047975891 759761981 /nfs/dbraw/zinc/76/19/81/759761981.db2.gz PAAORDBGJBQGHM-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC001050139417 759785288 /nfs/dbraw/zinc/78/52/88/759785288.db2.gz AJYIDFKZQGHXHR-YESZJQIVSA-N 1 3 346.479 0.543 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC001050139417 759785300 /nfs/dbraw/zinc/78/53/00/759785300.db2.gz AJYIDFKZQGHXHR-YESZJQIVSA-N 1 3 346.479 0.543 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001054296947 767905239 /nfs/dbraw/zinc/90/52/39/767905239.db2.gz RLKPVPZJLCQSHW-DJIMGWMZSA-N 1 3 348.491 0.815 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001054298342 767907817 /nfs/dbraw/zinc/90/78/17/767907817.db2.gz VJZVIPGNLJXLHM-OAGGEKHMSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2ncnn2C)CC1 ZINC001050366187 760187233 /nfs/dbraw/zinc/18/72/33/760187233.db2.gz QKVKYYGOVRQCDS-YHUYYLMFSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2ncnn2C)CC1 ZINC001050366187 760187237 /nfs/dbraw/zinc/18/72/37/760187237.db2.gz QKVKYYGOVRQCDS-YHUYYLMFSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001050367516 760189619 /nfs/dbraw/zinc/18/96/19/760189619.db2.gz NBIQGLITMMWSFR-FPCVCCKLSA-N 1 3 336.480 0.481 20 0 ECADHO Cn1cnnc1CNC[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001050385764 760213067 /nfs/dbraw/zinc/21/30/67/760213067.db2.gz VGWRAJMXDPBFEI-SHTZXODSSA-N 1 3 346.479 0.676 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNCc1nncn1C ZINC001048369133 760388562 /nfs/dbraw/zinc/38/85/62/760388562.db2.gz NKGOSKSAWDDKRV-HIFRSBDPSA-N 1 3 334.468 0.341 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050519504 760416327 /nfs/dbraw/zinc/41/63/27/760416327.db2.gz KBSFOKXKOXQRTE-HOTGVXAUSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050519504 760416328 /nfs/dbraw/zinc/41/63/28/760416328.db2.gz KBSFOKXKOXQRTE-HOTGVXAUSA-N 1 3 348.491 0.672 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2)N(C)C ZINC001050561176 760498631 /nfs/dbraw/zinc/49/86/31/760498631.db2.gz OXGNZGKKGIDRPE-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)CC1 ZINC001050643684 760620253 /nfs/dbraw/zinc/62/02/53/760620253.db2.gz LCOGVUIJQXEPBB-MRXNPFEDSA-N 1 3 348.491 0.531 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001048526348 760664066 /nfs/dbraw/zinc/66/40/66/760664066.db2.gz TXGUXNZSJMQRNB-UKMLZYKCSA-N 1 3 334.464 0.173 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582292 760751441 /nfs/dbraw/zinc/75/14/41/760751441.db2.gz KFGLRLGWCDTOHF-QDMKHBRRSA-N 1 3 334.464 0.187 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)NC2CC2)C1 ZINC001048587114 760758767 /nfs/dbraw/zinc/75/87/67/760758767.db2.gz FNDKIFOSUACZCM-TXCZRRACSA-N 1 3 348.491 0.576 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)NC2CC2)C1 ZINC001048587114 760758770 /nfs/dbraw/zinc/75/87/70/760758770.db2.gz FNDKIFOSUACZCM-TXCZRRACSA-N 1 3 348.491 0.576 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C(C)(C)C2)CCC1 ZINC000995890121 760770062 /nfs/dbraw/zinc/77/00/62/760770062.db2.gz ZDBZWSOCPHUBLX-ZIAGYGMSSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753304 760779465 /nfs/dbraw/zinc/77/94/65/760779465.db2.gz HRPCLDWHUZTIBY-LSDHHAIUSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753304 760779472 /nfs/dbraw/zinc/77/94/72/760779472.db2.gz HRPCLDWHUZTIBY-LSDHHAIUSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1)N(C)C ZINC000991414956 760804330 /nfs/dbraw/zinc/80/43/30/760804330.db2.gz QEKHXJHIMUXNGE-GDBMZVCRSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001127078761 760850410 /nfs/dbraw/zinc/85/04/10/760850410.db2.gz RPVQBTNEHFUXAE-CABCVRRESA-N 1 3 338.496 0.964 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001127078761 760850424 /nfs/dbraw/zinc/85/04/24/760850424.db2.gz RPVQBTNEHFUXAE-CABCVRRESA-N 1 3 338.496 0.964 20 0 ECADHO CC1(C)CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCF ZINC000996072824 761012132 /nfs/dbraw/zinc/01/21/32/761012132.db2.gz RLCYSVGFOKGSIE-YXXKGXSTSA-N 1 3 325.428 0.646 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]2C1 ZINC001048724401 761046156 /nfs/dbraw/zinc/04/61/56/761046156.db2.gz ZCHVWPPVGJBTQQ-XGUBFFRZSA-N 1 3 343.418 0.895 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]2C1 ZINC001048724401 761046164 /nfs/dbraw/zinc/04/61/64/761046164.db2.gz ZCHVWPPVGJBTQQ-XGUBFFRZSA-N 1 3 343.418 0.895 20 0 ECADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106244579 768008658 /nfs/dbraw/zinc/00/86/58/768008658.db2.gz PYMKTZPICHNRKR-HUUCEWRRSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106250056 768017131 /nfs/dbraw/zinc/01/71/31/768017131.db2.gz XISLCRRMBRCBFA-MRRJBJDNSA-N 1 3 336.480 0.289 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000991537771 761451017 /nfs/dbraw/zinc/45/10/17/761451017.db2.gz MKKYCSVOPQIDNC-GOEBONIOSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000991537771 761451020 /nfs/dbraw/zinc/45/10/20/761451020.db2.gz MKKYCSVOPQIDNC-GOEBONIOSA-N 1 3 334.464 0.284 20 0 ECADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001054575080 768047645 /nfs/dbraw/zinc/04/76/45/768047645.db2.gz XYZHDDZRESBNRW-RBVVOMGSSA-N 1 3 347.463 0.790 20 0 ECADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCN(CCCO)C2)CC1 ZINC001014460380 762715896 /nfs/dbraw/zinc/71/58/96/762715896.db2.gz KFAVFDKNINZLPP-ZACQAIPSSA-N 1 3 339.480 0.306 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001014481963 762740804 /nfs/dbraw/zinc/74/08/04/762740804.db2.gz BCHDZWRVDLAGNE-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001014481963 762740805 /nfs/dbraw/zinc/74/08/05/762740805.db2.gz BCHDZWRVDLAGNE-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)cn1 ZINC001051802610 763000570 /nfs/dbraw/zinc/00/05/70/763000570.db2.gz YAYXZMAPPJHZEH-MRXNPFEDSA-N 1 3 335.452 0.079 20 0 ECADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N1CCCCCC1 ZINC001127659983 763143152 /nfs/dbraw/zinc/14/31/52/763143152.db2.gz QJYJMDQMVNSDQX-ARFHVFGLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N1CCCCCC1 ZINC001127659983 763143159 /nfs/dbraw/zinc/14/31/59/763143159.db2.gz QJYJMDQMVNSDQX-ARFHVFGLSA-N 1 3 338.496 0.824 20 0 ECADHO Cc1ncsc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931432 763366151 /nfs/dbraw/zinc/36/61/51/763366151.db2.gz AQJXTIYPFGXFMO-ZIAGYGMSSA-N 1 3 338.477 0.720 20 0 ECADHO Cc1ncsc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051931432 763366160 /nfs/dbraw/zinc/36/61/60/763366160.db2.gz AQJXTIYPFGXFMO-ZIAGYGMSSA-N 1 3 338.477 0.720 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001051944437 763412688 /nfs/dbraw/zinc/41/26/88/763412688.db2.gz YDXDYHWCQAGZIS-QGZVFWFLSA-N 1 3 349.479 0.613 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1)N(C)C ZINC001106309073 768132846 /nfs/dbraw/zinc/13/28/46/768132846.db2.gz OKUGKLMJDPDDSV-FVQBIDKESA-N 1 3 338.496 0.537 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106313048 768138140 /nfs/dbraw/zinc/13/81/40/768138140.db2.gz UGGGXBWLIAIQCT-RBSFLKMASA-N 1 3 347.525 0.445 20 0 ECADHO O=C(NC[C@@H]1CN(CCCO)CCC1(F)F)C12CC[NH+](CC1)C2 ZINC001046989624 763521756 /nfs/dbraw/zinc/52/17/56/763521756.db2.gz CNMQPXBANZOJPT-CYBMUJFWSA-N 1 3 331.407 0.538 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC001127701498 763598087 /nfs/dbraw/zinc/59/80/87/763598087.db2.gz QQBCCGICSLZEAP-UONOGXRCSA-N 1 3 326.485 0.585 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC(C)(C)C)CC[N@H+]1C ZINC001127701498 763598096 /nfs/dbraw/zinc/59/80/96/763598096.db2.gz QQBCCGICSLZEAP-UONOGXRCSA-N 1 3 326.485 0.585 20 0 ECADHO CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027492 763621166 /nfs/dbraw/zinc/62/11/66/763621166.db2.gz GTPAWPCJLOAITG-QZTJIDSGSA-N 1 3 334.508 0.957 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)cn1 ZINC001047157331 763738484 /nfs/dbraw/zinc/73/84/84/763738484.db2.gz BDBQWAUDCBUXSH-IMJJTQAJSA-N 1 3 337.443 0.997 20 0 ECADHO CN(C(=O)[C@H]1CCCCN1C)[C@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001047431899 764324998 /nfs/dbraw/zinc/32/49/98/764324998.db2.gz JRBAIYJFJFMXFU-IKGGRYGDSA-N 1 3 339.480 0.543 20 0 ECADHO CN(C(=O)[C@H]1CCCCN1C)[C@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001047431899 764325008 /nfs/dbraw/zinc/32/50/08/764325008.db2.gz JRBAIYJFJFMXFU-IKGGRYGDSA-N 1 3 339.480 0.543 20 0 ECADHO CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CN(CCOC2CCC2)C[C@@H]1O ZINC001047431899 764325015 /nfs/dbraw/zinc/32/50/15/764325015.db2.gz JRBAIYJFJFMXFU-IKGGRYGDSA-N 1 3 339.480 0.543 20 0 ECADHO CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CN(CCOC2CCC2)C[C@@H]1O ZINC001047431899 764325023 /nfs/dbraw/zinc/32/50/23/764325023.db2.gz JRBAIYJFJFMXFU-IKGGRYGDSA-N 1 3 339.480 0.543 20 0 ECADHO CC[C@@H](CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)OC ZINC001047500363 764521707 /nfs/dbraw/zinc/52/17/07/764521707.db2.gz BDUGXHXYHODBKY-WOYTXXSLSA-N 1 3 341.496 0.645 20 0 ECADHO CC[C@@H](CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)OC ZINC001047500363 764521711 /nfs/dbraw/zinc/52/17/11/764521711.db2.gz BDUGXHXYHODBKY-WOYTXXSLSA-N 1 3 341.496 0.645 20 0 ECADHO C[C@@H](F)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047501084 764525738 /nfs/dbraw/zinc/52/57/38/764525738.db2.gz MSJLFNQXVSQCIV-YXMSTPNBSA-N 1 3 329.460 0.968 20 0 ECADHO C[C@@H](F)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047501084 764525744 /nfs/dbraw/zinc/52/57/44/764525744.db2.gz MSJLFNQXVSQCIV-YXMSTPNBSA-N 1 3 329.460 0.968 20 0 ECADHO CC[C@@H](CN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1)OC ZINC001047511915 764555457 /nfs/dbraw/zinc/55/54/57/764555457.db2.gz YJABXCZMUKHNKY-JYJNAYRXSA-N 1 3 327.469 0.257 20 0 ECADHO CNC(=O)[C@H](C)N1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619884 764863701 /nfs/dbraw/zinc/86/37/01/764863701.db2.gz KAORAPYXXTWQGE-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052869830 765263504 /nfs/dbraw/zinc/26/35/04/765263504.db2.gz NWWOLGWLTUEFBS-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1NCC(=O)N1CCC1 ZINC001054791568 768278529 /nfs/dbraw/zinc/27/85/29/768278529.db2.gz QWNCXUHTTVGTNZ-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO CO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C[C@H](C)O)CC1 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CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001078474576 783021825 /nfs/dbraw/zinc/02/18/25/783021825.db2.gz KOBVTIVEODEPAZ-CABCVRRESA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)CN1CCCC1 ZINC001044858792 774681898 /nfs/dbraw/zinc/68/18/98/774681898.db2.gz WFMQJMBGFWJREZ-HUUCEWRRSA-N 1 3 337.468 0.077 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cnnn2C)CC[N@@H+]1C ZINC001045044686 774891391 /nfs/dbraw/zinc/89/13/91/774891391.db2.gz QXKYAIGOBPNSJX-CWRNSKLLSA-N 1 3 334.468 0.626 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cnnn2C)CC[N@H+]1C ZINC001045044686 774891398 /nfs/dbraw/zinc/89/13/98/774891398.db2.gz QXKYAIGOBPNSJX-CWRNSKLLSA-N 1 3 334.468 0.626 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001045200420 775128574 /nfs/dbraw/zinc/12/85/74/775128574.db2.gz XVXIZSGASIGSJW-CABCVRRESA-N 1 3 334.468 0.720 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001045200420 775128581 /nfs/dbraw/zinc/12/85/81/775128581.db2.gz XVXIZSGASIGSJW-CABCVRRESA-N 1 3 334.468 0.720 20 0 ECADHO Cc1nn(C)cc1CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001045274081 775295723 /nfs/dbraw/zinc/29/57/23/775295723.db2.gz GBHMECNEAHFRIZ-INIZCTEOSA-N 1 3 331.464 0.905 20 0 ECADHO NC(=O)c1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC001045310727 775380904 /nfs/dbraw/zinc/38/09/04/775380904.db2.gz SBGLXYSQAQNCJP-KRWDZBQOSA-N 1 3 344.459 0.962 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044741479 776725994 /nfs/dbraw/zinc/72/59/94/776725994.db2.gz BRFFLANJTLKTTN-JKSUJKDBSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079723714 776765553 /nfs/dbraw/zinc/76/55/53/776765553.db2.gz GOZSNTOXVQTURE-MUIFIZLQSA-N 1 3 333.480 0.739 20 0 ECADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079723714 776765558 /nfs/dbraw/zinc/76/55/58/776765558.db2.gz GOZSNTOXVQTURE-MUIFIZLQSA-N 1 3 333.480 0.739 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079816514 776930597 /nfs/dbraw/zinc/93/05/97/776930597.db2.gz IRGQGLYWJNZHGR-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079945258 777123879 /nfs/dbraw/zinc/12/38/79/777123879.db2.gz IHAFRCFPKKYDTC-GDBMZVCRSA-N 1 3 336.480 0.338 20 0 ECADHO CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079945258 777123885 /nfs/dbraw/zinc/12/38/85/777123885.db2.gz IHAFRCFPKKYDTC-GDBMZVCRSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@H](C)CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077530 790526511 /nfs/dbraw/zinc/52/65/11/790526511.db2.gz GTWQURSPBMKHFL-XHSDSOJGSA-N 1 3 346.479 0.762 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)[C@@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001080189312 777522693 /nfs/dbraw/zinc/52/26/93/777522693.db2.gz NSHYHZNLSROJQG-HZPDHXFCSA-N 1 3 340.512 0.972 20 0 ECADHO CCN(C(=O)[C@@H](C(C)C)N(C)C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080190310 777523777 /nfs/dbraw/zinc/52/37/77/777523777.db2.gz LUHAMHKFJKBEOQ-GOEBONIOSA-N 1 3 338.496 0.584 20 0 ECADHO CCN(C(=O)[C@@H](C(C)C)N(C)C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080190310 777523783 /nfs/dbraw/zinc/52/37/83/777523783.db2.gz LUHAMHKFJKBEOQ-GOEBONIOSA-N 1 3 338.496 0.584 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001080192283 777531478 /nfs/dbraw/zinc/53/14/78/777531478.db2.gz MBIIFQJXPOHCIX-HOCLYGCPSA-N 1 3 338.496 0.585 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001080192283 777531483 /nfs/dbraw/zinc/53/14/83/777531483.db2.gz MBIIFQJXPOHCIX-HOCLYGCPSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080556071 778015375 /nfs/dbraw/zinc/01/53/75/778015375.db2.gz AHTIXCKRPLWUFT-HOCLYGCPSA-N 1 3 336.480 0.624 20 0 ECADHO CCN(C(=O)C[N@H+]1CCC[C@@H]1C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080556071 778015386 /nfs/dbraw/zinc/01/53/86/778015386.db2.gz AHTIXCKRPLWUFT-HOCLYGCPSA-N 1 3 336.480 0.624 20 0 ECADHO CCN(CC)CC(=O)NC1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001070125431 790697402 /nfs/dbraw/zinc/69/74/02/790697402.db2.gz XXACAXJPKZGJKX-UHFFFAOYSA-N 1 3 342.484 0.062 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCCO2)cn1 ZINC001078508875 780054370 /nfs/dbraw/zinc/05/43/70/780054370.db2.gz ZYYULVKYAHRTGG-SJORKVTESA-N 1 3 347.463 0.444 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCCO2)cn1 ZINC001078508875 780054381 /nfs/dbraw/zinc/05/43/81/780054381.db2.gz ZYYULVKYAHRTGG-SJORKVTESA-N 1 3 347.463 0.444 20 0 ECADHO CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2)N1CCCCC1 ZINC001078625760 780269319 /nfs/dbraw/zinc/26/93/19/780269319.db2.gz GJCGBOPIIWCKBL-UONOGXRCSA-N 1 3 336.480 0.753 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2 ZINC001078819373 780535465 /nfs/dbraw/zinc/53/54/65/780535465.db2.gz MPDTZFZLSIHREW-CVEARBPZSA-N 1 3 344.459 0.864 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001078884815 780582575 /nfs/dbraw/zinc/58/25/75/780582575.db2.gz OXBBBSBJMTZABA-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001037935115 783712899 /nfs/dbraw/zinc/71/28/99/783712899.db2.gz PAIFPPUCBBILOX-HIFRSBDPSA-N 1 3 348.451 0.194 20 0 ECADHO CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1NCc1nnc(C)[nH]1 ZINC001037957799 783736145 /nfs/dbraw/zinc/73/61/45/783736145.db2.gz BUQZHGVEOSYMAC-LSDHHAIUSA-N 1 3 346.479 0.926 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CCN2CC2CCOCC2)n1 ZINC001038259565 784075652 /nfs/dbraw/zinc/07/56/52/784075652.db2.gz HNQYQQOLGZQDFO-MRXNPFEDSA-N 1 3 349.479 0.675 20 0 ECADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001070499437 784196199 /nfs/dbraw/zinc/19/61/99/784196199.db2.gz STGOVVITSNJGGE-IJEWVQPXSA-N 1 3 349.479 0.169 20 0 ECADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@]2(CCN(CCO)C2)O1 ZINC001071215544 784754133 /nfs/dbraw/zinc/75/41/33/784754133.db2.gz CZGYGDAHWMQLPU-QAPCUYQASA-N 1 3 339.480 0.402 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001070873668 784778442 /nfs/dbraw/zinc/77/84/42/784778442.db2.gz SROVXDMUVNAKDN-NVXWUHKLSA-N 1 3 338.496 0.776 20 0 ECADHO COCCN1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071228559 784788148 /nfs/dbraw/zinc/78/81/48/784788148.db2.gz WOKRFPNSLDGRGQ-MAUKXSAKSA-N 1 3 337.464 0.420 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001071343627 784983685 /nfs/dbraw/zinc/98/36/85/784983685.db2.gz AZPGXKDTJFZGCO-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001071343627 784983692 /nfs/dbraw/zinc/98/36/92/784983692.db2.gz AZPGXKDTJFZGCO-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001072152862 785757233 /nfs/dbraw/zinc/75/72/33/785757233.db2.gz QUEDZJFCUBNOLR-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001072286507 785979538 /nfs/dbraw/zinc/97/95/38/785979538.db2.gz LGFOGXJWERTKDM-HOCLYGCPSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001072291127 785994964 /nfs/dbraw/zinc/99/49/64/785994964.db2.gz WVUPKOPXQCHXRW-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001072481304 786254962 /nfs/dbraw/zinc/25/49/62/786254962.db2.gz ORKLIFJHJQEKFL-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001072481303 786255242 /nfs/dbraw/zinc/25/52/42/786255242.db2.gz ORKLIFJHJQEKFL-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO Cn1cc(CC[N@@H+]2CCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)cn1 ZINC001072542576 786347003 /nfs/dbraw/zinc/34/70/03/786347003.db2.gz WQIXFKPVQNCCIP-INIZCTEOSA-N 1 3 331.464 0.591 20 0 ECADHO Cn1cc(CC[N@H+]2CCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)cn1 ZINC001072542576 786347008 /nfs/dbraw/zinc/34/70/08/786347008.db2.gz WQIXFKPVQNCCIP-INIZCTEOSA-N 1 3 331.464 0.591 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1NC(=O)CC[NH+](C)C ZINC001074199138 786430293 /nfs/dbraw/zinc/43/02/93/786430293.db2.gz XWQGTTIJOQVKRB-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)CC[N@@H+]1C ZINC001073613074 786770295 /nfs/dbraw/zinc/77/02/95/786770295.db2.gz ANSYNAGMFFAVRC-OWCLPIDISA-N 1 3 327.469 0.306 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)CC[N@H+]1C ZINC001073613074 786770297 /nfs/dbraw/zinc/77/02/97/786770297.db2.gz ANSYNAGMFFAVRC-OWCLPIDISA-N 1 3 327.469 0.306 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073854191 787370038 /nfs/dbraw/zinc/37/00/38/787370038.db2.gz YUAOHEQLUZAVTC-IRXDYDNUSA-N 1 3 341.496 0.840 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073854191 787370052 /nfs/dbraw/zinc/37/00/52/787370052.db2.gz YUAOHEQLUZAVTC-IRXDYDNUSA-N 1 3 341.496 0.840 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001074016985 787686814 /nfs/dbraw/zinc/68/68/14/787686814.db2.gz MVAIKJQREFDFEB-HUUCEWRRSA-N 1 3 326.485 0.632 20 0 ECADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072827724 788904460 /nfs/dbraw/zinc/90/44/60/788904460.db2.gz WOHMGWYNCMVXNG-MRXNPFEDSA-N 1 3 346.479 0.687 20 0 ECADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072827724 788904466 /nfs/dbraw/zinc/90/44/66/788904466.db2.gz WOHMGWYNCMVXNG-MRXNPFEDSA-N 1 3 346.479 0.687 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073038986 789323206 /nfs/dbraw/zinc/32/32/06/789323206.db2.gz VMCOMXCABHNUCA-CQSZACIVSA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073038986 789323216 /nfs/dbraw/zinc/32/32/16/789323216.db2.gz VMCOMXCABHNUCA-CQSZACIVSA-N 1 3 347.463 0.710 20 0 ECADHO CCCN(C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073177311 789572570 /nfs/dbraw/zinc/57/25/70/789572570.db2.gz PAODBLGRZAPBOC-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073177311 789572572 /nfs/dbraw/zinc/57/25/72/789572572.db2.gz PAODBLGRZAPBOC-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[NH+](C)CCCC(=O)NC1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001073277526 789693478 /nfs/dbraw/zinc/69/34/78/789693478.db2.gz WXACGDKLOAXALU-UHFFFAOYSA-N 1 3 335.452 0.791 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCc2cccc(N3CC[C@@H](NCCF)C3)n2)C1 ZINC001069841076 790075646 /nfs/dbraw/zinc/07/56/46/790075646.db2.gz ZVDJKFROSKRWJL-GOEBONIOSA-N 1 3 349.454 0.787 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCc2cccc(N3CC[C@@H](NCCF)C3)n2)C1 ZINC001069841076 790075650 /nfs/dbraw/zinc/07/56/50/790075650.db2.gz ZVDJKFROSKRWJL-GOEBONIOSA-N 1 3 349.454 0.787 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001267428986 837399626 /nfs/dbraw/zinc/39/96/26/837399626.db2.gz JTTGTWZLDKUMQX-RYUDHWBXSA-N 1 3 325.375 0.690 20 0 ECADHO CC(C)N(CCCNC(=O)C12CC[NH+](CC1)C2)CC(=O)N1CCC1 ZINC001267511489 837603983 /nfs/dbraw/zinc/60/39/83/837603983.db2.gz PGHXZLIGTVQVNT-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO CCCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001266243818 835549555 /nfs/dbraw/zinc/54/95/55/835549555.db2.gz CKCHXTSUODNTOU-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CCCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266243818 835549560 /nfs/dbraw/zinc/54/95/60/835549560.db2.gz CKCHXTSUODNTOU-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001266733616 836214867 /nfs/dbraw/zinc/21/48/67/836214867.db2.gz XPHNQPRXWZRGKI-GJZGRUSLSA-N 1 3 347.525 0.445 20 0 ECADHO C[C@H]1CCCCN1C(=O)CNCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001266817557 836342857 /nfs/dbraw/zinc/34/28/57/836342857.db2.gz LRISXFVREIALPY-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H](C(=O)N(C)CC[NH2+]CCNC(=O)NC(C)(C)C)N(C)C ZINC001266987921 836569576 /nfs/dbraw/zinc/56/95/76/836569576.db2.gz ATJCAWQWTZGRNI-ZDUSSCGKSA-N 1 3 329.489 0.472 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CCN3CCCC3=O)C2)CCC1 ZINC001267045067 836672236 /nfs/dbraw/zinc/67/22/36/836672236.db2.gz MNYQHDFNWFTKJW-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(=O)[C@@H]1CCCN1C ZINC001408742478 838215187 /nfs/dbraw/zinc/21/51/87/838215187.db2.gz BLFRBVGAYFVRRX-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(=O)[C@@H]1CCCN1C ZINC001408742478 838215198 /nfs/dbraw/zinc/21/51/98/838215198.db2.gz BLFRBVGAYFVRRX-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO CCOCCN1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001267774653 838537006 /nfs/dbraw/zinc/53/70/06/838537006.db2.gz IZWLZEFAQUSCJJ-HNNXBMFYSA-N 1 3 327.469 0.666 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCOCCO)C1 ZINC001267791023 838571123 /nfs/dbraw/zinc/57/11/23/838571123.db2.gz UWUHDARWOOCFJG-JKSUJKDBSA-N 1 3 327.469 0.260 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCOCCO)C1 ZINC001267791023 838571130 /nfs/dbraw/zinc/57/11/30/838571130.db2.gz UWUHDARWOOCFJG-JKSUJKDBSA-N 1 3 327.469 0.260 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCN2CCCC2=O)C1 ZINC001267963939 838878482 /nfs/dbraw/zinc/87/84/82/838878482.db2.gz XSQBSXUPZCOXOC-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)Cc1ccccc1 ZINC000120334283 282129181 /nfs/dbraw/zinc/12/91/81/282129181.db2.gz KQDVKLXBAKYVDQ-AEFFLSMTSA-N 1 3 336.480 0.771 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000418871913 282130893 /nfs/dbraw/zinc/13/08/93/282130893.db2.gz FPMXHPUDCTVBDJ-QFBILLFUSA-N 1 3 346.475 0.473 20 0 ECADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354668219 299090482 /nfs/dbraw/zinc/09/04/82/299090482.db2.gz AADZDMHQQJSJIQ-AWEZNQCLSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000354689285 299096779 /nfs/dbraw/zinc/09/67/79/299096779.db2.gz KETRQUXUIMJYOJ-JKSUJKDBSA-N 1 3 332.448 0.664 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041646917 781922997 /nfs/dbraw/zinc/92/29/97/781922997.db2.gz VHCJWPUMQTWESV-AEFFLSMTSA-N 1 3 348.495 0.789 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041646917 781923005 /nfs/dbraw/zinc/92/30/05/781923005.db2.gz VHCJWPUMQTWESV-AEFFLSMTSA-N 1 3 348.495 0.789 20 0 ECADHO CN(C)[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000354711499 299103420 /nfs/dbraw/zinc/10/34/20/299103420.db2.gz LXBKCRMSLRGHJN-SJORKVTESA-N 1 3 346.475 0.534 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354790344 299127743 /nfs/dbraw/zinc/12/77/43/299127743.db2.gz MKFXSLIHADNFMT-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423839043 209835228 /nfs/dbraw/zinc/83/52/28/209835228.db2.gz IZYBKKVBJCQCKN-RDJZCZTQSA-N 1 3 346.475 0.881 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000355014902 299184979 /nfs/dbraw/zinc/18/49/79/299184979.db2.gz HHRFGMRCSCXGSU-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000355014902 299184982 /nfs/dbraw/zinc/18/49/82/299184982.db2.gz HHRFGMRCSCXGSU-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN(C(=O)NC[C@H](C)CN1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000417741262 283005597 /nfs/dbraw/zinc/00/55/97/283005597.db2.gz AAVYEGOJPLRYCH-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423418376 283231902 /nfs/dbraw/zinc/23/19/02/283231902.db2.gz UMYFFZPBAYOBRG-HUUCEWRRSA-N 1 3 326.485 0.763 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420122604 283232496 /nfs/dbraw/zinc/23/24/96/283232496.db2.gz LKIQKRMXOVFADU-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CC(C)N(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420213247 209341793 /nfs/dbraw/zinc/34/17/93/209341793.db2.gz YFHLLQSQGUHFIW-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000420174118 209330488 /nfs/dbraw/zinc/33/04/88/209330488.db2.gz SLQHYDRGSALZOV-CYBMUJFWSA-N 1 3 338.452 0.592 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420095831 209303873 /nfs/dbraw/zinc/30/38/73/209303873.db2.gz GCAQTRGPUNUOCC-UHFFFAOYSA-N 1 3 330.432 0.459 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420041697 209286701 /nfs/dbraw/zinc/28/67/01/209286701.db2.gz PZFXRTSLHGEZLS-MGPQQGTHSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419977439 209267628 /nfs/dbraw/zinc/26/76/28/209267628.db2.gz MPPFJGKEXUTYDI-CQSZACIVSA-N 1 3 338.452 0.659 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000419964161 209262238 /nfs/dbraw/zinc/26/22/38/209262238.db2.gz IKMGNRJVDAEOSH-MRXNPFEDSA-N 1 3 338.496 0.999 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000419952663 209258382 /nfs/dbraw/zinc/25/83/82/209258382.db2.gz OWSGSMRXBBLKBI-ZDUSSCGKSA-N 1 3 340.493 0.610 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419868386 209231235 /nfs/dbraw/zinc/23/12/35/209231235.db2.gz ISCCVGRRJOXHBS-UHFFFAOYSA-N 1 3 342.484 0.189 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000236839865 242379361 /nfs/dbraw/zinc/37/93/61/242379361.db2.gz FMYRHPZRFFJYOL-KRWDZBQOSA-N 1 3 346.475 0.742 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000263254772 245373791 /nfs/dbraw/zinc/37/37/91/245373791.db2.gz QEDXHBDMHAMLAN-YOEHRIQHSA-N 1 3 334.464 0.723 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000263254772 245373793 /nfs/dbraw/zinc/37/37/93/245373793.db2.gz QEDXHBDMHAMLAN-YOEHRIQHSA-N 1 3 334.464 0.723 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419700298 209177091 /nfs/dbraw/zinc/17/70/91/209177091.db2.gz SGDZKCLHQUZGPR-BZUAXINKSA-N 1 3 338.496 0.809 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)C1CCCC1 ZINC000419698176 209175276 /nfs/dbraw/zinc/17/52/76/209175276.db2.gz SCHVBWWKSJZUHX-GOEBONIOSA-N 1 3 336.480 0.753 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419698403 209175319 /nfs/dbraw/zinc/17/53/19/209175319.db2.gz SICLICXMFHRVOH-HNNXBMFYSA-N 1 3 348.491 0.722 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000339580188 297361382 /nfs/dbraw/zinc/36/13/82/297361382.db2.gz HMOUCRWQVKIMBM-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C)C2)[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000449845261 211300635 /nfs/dbraw/zinc/30/06/35/211300635.db2.gz ZOQRTCRHPSONNI-IBEHDNSVSA-N 1 3 336.480 0.194 20 0 ECADHO C[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000449845261 211300638 /nfs/dbraw/zinc/30/06/38/211300638.db2.gz ZOQRTCRHPSONNI-IBEHDNSVSA-N 1 3 336.480 0.194 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000447438518 211189326 /nfs/dbraw/zinc/18/93/26/211189326.db2.gz FRYZPUFJMZGOHG-MRXNPFEDSA-N 1 3 348.447 0.686 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000446041537 211129162 /nfs/dbraw/zinc/12/91/62/211129162.db2.gz JBOIONNNOVBUCW-AWEZNQCLSA-N 1 3 332.448 0.797 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000446041537 211129172 /nfs/dbraw/zinc/12/91/72/211129172.db2.gz JBOIONNNOVBUCW-AWEZNQCLSA-N 1 3 332.448 0.797 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419967547 284978795 /nfs/dbraw/zinc/97/87/95/284978795.db2.gz OIGSWECMHWDVIF-HNNXBMFYSA-N 1 3 342.484 0.047 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000429517608 210320534 /nfs/dbraw/zinc/32/05/34/210320534.db2.gz SASYETBKSGMHSP-BBRMVZONSA-N 1 3 332.448 0.733 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000418315801 208794671 /nfs/dbraw/zinc/79/46/71/208794671.db2.gz KSYNKXYIALERTA-HNNXBMFYSA-N 1 3 339.484 0.182 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419165352 209007877 /nfs/dbraw/zinc/00/78/77/209007877.db2.gz GEJBJHKBOHARDU-XHSDSOJGSA-N 1 3 336.480 0.435 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419175273 209013873 /nfs/dbraw/zinc/01/38/73/209013873.db2.gz XBUWGVNBHHWTFX-OAGGEKHMSA-N 1 3 338.496 0.953 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419189071 209017675 /nfs/dbraw/zinc/01/76/75/209017675.db2.gz KZDFHRNEIJEJHP-UHFFFAOYSA-N 1 3 346.475 0.535 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419194828 209020042 /nfs/dbraw/zinc/02/00/42/209020042.db2.gz UGDPHFPCOCJXCM-OAHLLOKOSA-N 1 3 346.475 0.929 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000419202290 209022166 /nfs/dbraw/zinc/02/21/66/209022166.db2.gz GXZYAGDMCPWECX-OAHLLOKOSA-N 1 3 348.447 0.064 20 0 ECADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N(C)CCN)C1 ZINC000419216412 209029323 /nfs/dbraw/zinc/02/93/23/209029323.db2.gz PKUHPVQYAMNMKD-OAHLLOKOSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N(C)CCN)C1 ZINC000419216412 209029326 /nfs/dbraw/zinc/02/93/26/209029326.db2.gz PKUHPVQYAMNMKD-OAHLLOKOSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232764 209036008 /nfs/dbraw/zinc/03/60/08/209036008.db2.gz VBONTORKPMPXSE-CRAIPNDOSA-N 1 3 336.480 0.564 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419234269 209036344 /nfs/dbraw/zinc/03/63/44/209036344.db2.gz XIUHKKWLPZLSCK-QGZVFWFLSA-N 1 3 348.491 0.793 20 0 ECADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419418641 209089806 /nfs/dbraw/zinc/08/98/06/209089806.db2.gz INRSREWJXWTVQY-MRXNPFEDSA-N 1 3 330.432 0.111 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419416441 209088023 /nfs/dbraw/zinc/08/80/23/209088023.db2.gz HFIJBXFOHGFOLO-QGZVFWFLSA-N 1 3 346.475 0.651 20 0 ECADHO COC[C@@]1(CNC(=O)NC[C@@H](O)CN2CCC(C)CC2)CCC[NH2+]1 ZINC000418641721 285324508 /nfs/dbraw/zinc/32/45/08/285324508.db2.gz SKUDSTSTYZDIST-WBVHZDCISA-N 1 3 342.484 0.147 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041689023 781998629 /nfs/dbraw/zinc/99/86/29/781998629.db2.gz ZTGAKROSYLHJLO-RDJZCZTQSA-N 1 3 334.468 0.543 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041689023 781998640 /nfs/dbraw/zinc/99/86/40/781998640.db2.gz ZTGAKROSYLHJLO-RDJZCZTQSA-N 1 3 334.468 0.543 20 0 ECADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)N1CCOCC1 ZINC000077822333 296621573 /nfs/dbraw/zinc/62/15/73/296621573.db2.gz IGTHMSGGYXKUCR-HOTGVXAUSA-N 1 3 343.516 0.230 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000104533756 296635273 /nfs/dbraw/zinc/63/52/73/296635273.db2.gz HMPVLVZMEXSNOT-UHFFFAOYSA-N 1 3 333.436 0.432 20 0 ECADHO CN(C)[C@@H](CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000193645008 165058826 /nfs/dbraw/zinc/05/88/26/165058826.db2.gz VBVUXARVGKAQDT-KSZLIROESA-N 1 3 330.476 0.899 20 0 ECADHO CN(C)[C@@H](CNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000193645008 165058829 /nfs/dbraw/zinc/05/88/29/165058829.db2.gz VBVUXARVGKAQDT-KSZLIROESA-N 1 3 330.476 0.899 20 0 ECADHO CCN(CC)C(=O)[C@H](C)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261777742 165242489 /nfs/dbraw/zinc/24/24/89/165242489.db2.gz XPFJFSQENXXXNI-HRCADAONSA-N 1 3 338.496 0.824 20 0 ECADHO Cc1c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000262645662 165369956 /nfs/dbraw/zinc/36/99/56/165369956.db2.gz NLHCVABSXWQYLR-DOMZBBRYSA-N 1 3 332.452 0.820 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000262662559 165371847 /nfs/dbraw/zinc/37/18/47/165371847.db2.gz ZBEKKSGYDLBWQS-UHFFFAOYSA-N 1 3 326.485 0.908 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)[C@H]1C[NH3+] ZINC000423728414 287322858 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CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCN(C)C1=O ZINC000448854951 276377670 /nfs/dbraw/zinc/37/76/70/276377670.db2.gz WTBDEMPRAPNSOV-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340206069 437597527 /nfs/dbraw/zinc/59/75/27/437597527.db2.gz LHAAMQOFWOFDGI-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340206069 437597532 /nfs/dbraw/zinc/59/75/32/437597532.db2.gz LHAAMQOFWOFDGI-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000419157503 278196991 /nfs/dbraw/zinc/19/69/91/278196991.db2.gz LFRCJAHFHMDGFT-OAGGEKHMSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419701971 278226880 /nfs/dbraw/zinc/22/68/80/278226880.db2.gz ZREUKQWUSJAFLJ-DZKIICNBSA-N 1 3 336.480 0.848 20 0 ECADHO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418754568 278545952 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/nfs/dbraw/zinc/12/55/73/297125573.db2.gz CZYVVMDXJHALBD-PPXQIISCSA-N 1 3 338.492 0.533 20 0 ECADHO O[C@@H](CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)C[N@@H+]1C[C@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333333339 297125575 /nfs/dbraw/zinc/12/55/75/297125575.db2.gz CZYVVMDXJHALBD-PPXQIISCSA-N 1 3 338.492 0.533 20 0 ECADHO O[C@@H](CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)C[N@H+]1C[C@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333333339 297125577 /nfs/dbraw/zinc/12/55/77/297125577.db2.gz CZYVVMDXJHALBD-PPXQIISCSA-N 1 3 338.492 0.533 20 0 ECADHO CN1CCN(CCNC(=O)NCC2([NH3+])CCCCC2)CC1(C)C ZINC000333835974 297151595 /nfs/dbraw/zinc/15/15/95/297151595.db2.gz UGRZJZMVONSOFH-UHFFFAOYSA-N 1 3 325.501 0.973 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000333895997 297154884 /nfs/dbraw/zinc/15/48/84/297154884.db2.gz YGTRVACLCKTCOK-RHSMWYFYSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@@H](C)C1 ZINC000333932309 297156239 /nfs/dbraw/zinc/15/62/39/297156239.db2.gz 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CN(C)C1(CN(C)C(=O)C(=O)NCCC[NH+]2CCCCC2)CCC1 ZINC000339747760 297377566 /nfs/dbraw/zinc/37/75/66/297377566.db2.gz AVQRBCCADZGWSH-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CC(C)C[C@H]([NH2+]C1CCN(C(N)=O)CC1)C(=O)NCCN(C)C ZINC000344922446 298085645 /nfs/dbraw/zinc/08/56/45/298085645.db2.gz CXGXGIRTOOXUPF-AWEZNQCLSA-N 1 3 327.473 0.212 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000346550510 298291900 /nfs/dbraw/zinc/29/19/00/298291900.db2.gz WAXFWUYSNIMZSA-PVAVHDDUSA-N 1 3 348.491 0.672 20 0 ECADHO CN1CCN(c2ncc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cn2)CC1 ZINC000346853520 298354432 /nfs/dbraw/zinc/35/44/32/298354432.db2.gz SULKLZKWZHERLH-BBWFWOEESA-N 1 3 330.480 0.788 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cnn(CC(F)(F)F)c2)C1 ZINC000347019216 298389395 /nfs/dbraw/zinc/38/93/95/298389395.db2.gz LUKIIFQJNDOLFH-LBPRGKRZSA-N 1 3 333.358 0.732 20 0 ECADHO COc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc2c1OCCO2 ZINC000347059419 298396273 /nfs/dbraw/zinc/39/62/73/298396273.db2.gz WWBKXRKLNOKTST-AWEZNQCLSA-N 1 3 349.431 0.753 20 0 ECADHO C[C@@H](CNC(=O)C1CCC(C(=O)NC[C@H](C)[NH+](C)C)CC1)N(C)C ZINC000350559510 298720971 /nfs/dbraw/zinc/72/09/71/298720971.db2.gz DSZJFBFVRMDRNP-FXQLRMTLSA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000353423748 299046908 /nfs/dbraw/zinc/04/69/08/299046908.db2.gz DEXZWXGXWBXOAQ-DOTOQJQBSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000353447025 299049381 /nfs/dbraw/zinc/04/93/81/299049381.db2.gz KUSRYUHKZQUSQG-JHJVBQTASA-N 1 3 336.402 0.893 20 0 ECADHO CN(CCCN1C(=O)CNC1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363479600 300268252 /nfs/dbraw/zinc/26/82/52/300268252.db2.gz IJNDGBMYCBPPJI-HNNXBMFYSA-N 1 3 337.468 0.029 20 0 ECADHO CN(CCCN1C(=O)CNC1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363479600 300268255 /nfs/dbraw/zinc/26/82/55/300268255.db2.gz IJNDGBMYCBPPJI-HNNXBMFYSA-N 1 3 337.468 0.029 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)c1cnn(CCN2CCCCC2)c1 ZINC000363751629 300290722 /nfs/dbraw/zinc/29/07/22/300290722.db2.gz PGIQDSAKPDZRLT-UHFFFAOYSA-N 1 3 334.468 0.004 20 0 ECADHO CCOC(=O)c1nn(C)cc1CN[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363812487 300296119 /nfs/dbraw/zinc/29/61/19/300296119.db2.gz DCGXSYOZMRMGEC-OAHLLOKOSA-N 1 3 349.479 0.855 20 0 ECADHO CCOC(=O)c1nn(C)cc1CN[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363812487 300296123 /nfs/dbraw/zinc/29/61/23/300296123.db2.gz DCGXSYOZMRMGEC-OAHLLOKOSA-N 1 3 349.479 0.855 20 0 ECADHO CCC[C@H](C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1)N(C)C ZINC000364423476 300355669 /nfs/dbraw/zinc/35/56/69/300355669.db2.gz XBGJJWDHPXHCBX-QGZVFWFLSA-N 1 3 340.512 0.583 20 0 ECADHO CCC[C@H](C(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1)N(C)C ZINC000364423476 300355671 /nfs/dbraw/zinc/35/56/71/300355671.db2.gz XBGJJWDHPXHCBX-QGZVFWFLSA-N 1 3 340.512 0.583 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000074659973 436135439 /nfs/dbraw/zinc/13/54/39/436135439.db2.gz YFPHKBXPMFOYGD-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N(C)C1CC1 ZINC000074345482 436123649 /nfs/dbraw/zinc/12/36/49/436123649.db2.gz UXAPQOSIWPDVHS-KGLIPLIRSA-N 1 3 339.484 0.356 20 0 ECADHO C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N(C)C1CC1 ZINC000074345482 436123655 /nfs/dbraw/zinc/12/36/55/436123655.db2.gz UXAPQOSIWPDVHS-KGLIPLIRSA-N 1 3 339.484 0.356 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)C1(n2cccn2)CC[NH2+]CC1 ZINC000375967524 301223939 /nfs/dbraw/zinc/22/39/39/301223939.db2.gz CUYALQIXRPPDCZ-KRWDZBQOSA-N 1 3 339.443 0.965 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000077828385 436254533 /nfs/dbraw/zinc/25/45/33/436254533.db2.gz LIICYKJRMKQIJU-UHFFFAOYSA-N 1 3 349.479 0.498 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000514726691 301614767 /nfs/dbraw/zinc/61/47/67/301614767.db2.gz HFWUJEBHAUHEOG-UONOGXRCSA-N 1 3 347.463 0.656 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2ccccn2c1=O ZINC000103212902 436554330 /nfs/dbraw/zinc/55/43/30/436554330.db2.gz OCZSRNJFEHOMIZ-UHFFFAOYSA-N 1 3 331.420 0.260 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000109168155 436623845 /nfs/dbraw/zinc/62/38/45/436623845.db2.gz TYZHFNHZACDUIM-WBVHZDCISA-N 1 3 338.496 0.863 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000109168155 436623849 /nfs/dbraw/zinc/62/38/49/436623849.db2.gz TYZHFNHZACDUIM-WBVHZDCISA-N 1 3 338.496 0.863 20 0 ECADHO CC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000105903032 436587722 /nfs/dbraw/zinc/58/77/22/436587722.db2.gz SWBKEKHHICUJMH-XDNAFOTISA-N 1 3 343.512 0.499 20 0 ECADHO CC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC000105903032 436587724 /nfs/dbraw/zinc/58/77/24/436587724.db2.gz SWBKEKHHICUJMH-XDNAFOTISA-N 1 3 343.512 0.499 20 0 ECADHO Cc1nc(NC2CCN(C)CC2)c(NC2CC[NH+](C)CC2)nc1C ZINC000547632992 302265351 /nfs/dbraw/zinc/26/53/51/302265351.db2.gz QRKWKBOQKLWNJN-UHFFFAOYSA-N 1 3 332.496 0.949 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000558518311 302472641 /nfs/dbraw/zinc/47/26/41/302472641.db2.gz LUULMTYUINXMJJ-CQSZACIVSA-N 1 3 342.484 0.012 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152350762 436727406 /nfs/dbraw/zinc/72/74/06/436727406.db2.gz YUCWRSUPCRLYFD-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152350762 436727409 /nfs/dbraw/zinc/72/74/09/436727409.db2.gz YUCWRSUPCRLYFD-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nnc2ccccn21 ZINC000153121357 436749211 /nfs/dbraw/zinc/74/92/11/436749211.db2.gz QMLDIUAUVSUOGK-CQSZACIVSA-N 1 3 347.467 0.925 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)CNC3CC3)c2)C1 ZINC000237933361 436749465 /nfs/dbraw/zinc/74/94/65/436749465.db2.gz YJAXFVKYKGIQBL-INIZCTEOSA-N 1 3 344.459 0.752 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CNC3CC3)c2)C1 ZINC000237933361 436749469 /nfs/dbraw/zinc/74/94/69/436749469.db2.gz YJAXFVKYKGIQBL-INIZCTEOSA-N 1 3 344.459 0.752 20 0 ECADHO CCN(CCO)CCNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000248992704 436813591 /nfs/dbraw/zinc/81/35/91/436813591.db2.gz LINIICASMPRNBX-HZPDHXFCSA-N 1 3 328.501 0.968 20 0 ECADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126458411 436788282 /nfs/dbraw/zinc/78/82/82/436788282.db2.gz XBDZAEQXXMAINK-WBVHZDCISA-N 1 3 340.512 0.628 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CN1C1CC1 ZINC000130620158 436841053 /nfs/dbraw/zinc/84/10/53/436841053.db2.gz NFAYLFQWNSIHFK-CABCVRRESA-N 1 3 337.512 0.937 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000161853744 436898609 /nfs/dbraw/zinc/89/86/09/436898609.db2.gz JOZPDKYIHHXTRU-HNNXBMFYSA-N 1 3 326.485 0.959 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000161853744 436898613 /nfs/dbraw/zinc/89/86/13/436898613.db2.gz JOZPDKYIHHXTRU-HNNXBMFYSA-N 1 3 326.485 0.959 20 0 ECADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)ccc2oc1=O ZINC000262090228 436906299 /nfs/dbraw/zinc/90/62/99/436906299.db2.gz ULAWSBPVENRUFG-DOMZBBRYSA-N 1 3 348.403 0.601 20 0 ECADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262466480 436935478 /nfs/dbraw/zinc/93/54/78/436935478.db2.gz GHIRCTDGNRCESP-MSOLQXFVSA-N 1 3 346.475 0.428 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000263275593 436960693 /nfs/dbraw/zinc/96/06/93/436960693.db2.gz YHODERZKZYTHSS-HIFRSBDPSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000263275593 436960698 /nfs/dbraw/zinc/96/06/98/436960698.db2.gz YHODERZKZYTHSS-HIFRSBDPSA-N 1 3 326.485 0.713 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284742108 437068623 /nfs/dbraw/zinc/06/86/23/437068623.db2.gz HQOWCWRJYYLPAD-KRWDZBQOSA-N 1 3 346.475 0.486 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CCSC1 ZINC000276749303 437157413 /nfs/dbraw/zinc/15/74/13/437157413.db2.gz CEVUCMQCFDNISM-XJKSGUPXSA-N 1 3 337.493 0.975 20 0 ECADHO CN(CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC000265388873 437119141 /nfs/dbraw/zinc/11/91/41/437119141.db2.gz LEZAJGWUXCUEIE-UHFFFAOYSA-N 1 3 332.448 0.940 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000331596846 437127961 /nfs/dbraw/zinc/12/79/61/437127961.db2.gz YAAXHVNJLHLJBS-WCVJEAGWSA-N 1 3 336.480 0.574 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000331596846 437127964 /nfs/dbraw/zinc/12/79/64/437127964.db2.gz YAAXHVNJLHLJBS-WCVJEAGWSA-N 1 3 336.480 0.574 20 0 ECADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCCC[C@@H]3CN)C2)CC1 ZINC000332724022 437246222 /nfs/dbraw/zinc/24/62/22/437246222.db2.gz XYRCVSOEUPHNRU-HZPDHXFCSA-N 1 3 336.480 0.517 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCCC3CC[NH+](C)CC3)C[C@H]2N)cn1 ZINC000333546925 437274655 /nfs/dbraw/zinc/27/46/55/437274655.db2.gz ITRFDOBHKIFBOC-JKSUJKDBSA-N 1 3 334.468 0.588 20 0 ECADHO O[C@@H]1CC[C@@H]2CN(CC3(C[N@@H+]4C[C@@H]5CC[C@H](O)[C@H]5C4)COC3)C[C@H]12 ZINC000329281833 437347117 /nfs/dbraw/zinc/34/71/17/437347117.db2.gz AFTUTTFOICACKS-ONTMVUMWSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2CN(CC3(C[N@H+]4C[C@@H]5CC[C@H](O)[C@H]5C4)COC3)C[C@H]12 ZINC000329281833 437347119 /nfs/dbraw/zinc/34/71/19/437347119.db2.gz AFTUTTFOICACKS-ONTMVUMWSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2C[N@@H+](CC3(CN4C[C@@H]5CC[C@H](O)[C@H]5C4)COC3)C[C@H]12 ZINC000329281833 437347123 /nfs/dbraw/zinc/34/71/23/437347123.db2.gz AFTUTTFOICACKS-ONTMVUMWSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2C[N@H+](CC3(CN4C[C@@H]5CC[C@H](O)[C@H]5C4)COC3)C[C@H]12 ZINC000329281833 437347125 /nfs/dbraw/zinc/34/71/25/437347125.db2.gz AFTUTTFOICACKS-ONTMVUMWSA-N 1 3 336.476 0.408 20 0 ECADHO C[C@@H](CNC(=O)N(C)CCCN1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000182702003 437360114 /nfs/dbraw/zinc/36/01/14/437360114.db2.gz BYDKKMOTHGRTMZ-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H](CNC(=O)N(C)CCCN1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000182702003 437360120 /nfs/dbraw/zinc/36/01/20/437360120.db2.gz BYDKKMOTHGRTMZ-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)C(C)C ZINC000339611992 437478690 /nfs/dbraw/zinc/47/86/90/437478690.db2.gz ATFXIOIUEHEHNZ-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO COC(=O)[C@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000353896905 437484323 /nfs/dbraw/zinc/48/43/23/437484323.db2.gz QATGPYXNWOCTGI-CYBMUJFWSA-N 1 3 325.453 0.860 20 0 ECADHO COC(=O)[C@@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000353896906 437485183 /nfs/dbraw/zinc/48/51/83/437485183.db2.gz QATGPYXNWOCTGI-ZDUSSCGKSA-N 1 3 325.453 0.860 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000185824095 437454310 /nfs/dbraw/zinc/45/43/10/437454310.db2.gz YPYBYPGURHFZLP-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000185824095 437454312 /nfs/dbraw/zinc/45/43/12/437454312.db2.gz YPYBYPGURHFZLP-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000290061251 437461474 /nfs/dbraw/zinc/46/14/74/437461474.db2.gz USBATRFKEPWIPI-IAGOWNOFSA-N 1 3 346.475 0.982 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000290131833 437466576 /nfs/dbraw/zinc/46/65/76/437466576.db2.gz ZNQULWZUHFBOPD-HNNXBMFYSA-N 1 3 334.420 0.695 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339951172 437528759 /nfs/dbraw/zinc/52/87/59/437528759.db2.gz VTKPEMYZHKKJMC-CQSZACIVSA-N 1 3 336.480 0.578 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339951172 437528761 /nfs/dbraw/zinc/52/87/61/437528761.db2.gz VTKPEMYZHKKJMC-CQSZACIVSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339966624 437532248 /nfs/dbraw/zinc/53/22/48/437532248.db2.gz UUVWQXONKSIOKK-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339966624 437532253 /nfs/dbraw/zinc/53/22/53/437532253.db2.gz UUVWQXONKSIOKK-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000360134649 437532781 /nfs/dbraw/zinc/53/27/81/437532781.db2.gz GXOSONZKNAVUKA-INIZCTEOSA-N 1 3 327.517 0.994 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000360134649 437532783 /nfs/dbraw/zinc/53/27/83/437532783.db2.gz GXOSONZKNAVUKA-INIZCTEOSA-N 1 3 327.517 0.994 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)N1CCN(C)CC1 ZINC000343342344 437564618 /nfs/dbraw/zinc/56/46/18/437564618.db2.gz MLIVAGZIUZLZSL-QGZVFWFLSA-N 1 3 337.512 0.820 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)N1CCN(C)CC1 ZINC000343342344 437564624 /nfs/dbraw/zinc/56/46/24/437564624.db2.gz MLIVAGZIUZLZSL-QGZVFWFLSA-N 1 3 337.512 0.820 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000343686018 437628557 /nfs/dbraw/zinc/62/85/57/437628557.db2.gz IYUAIYBUBUKLBK-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000343686018 437628559 /nfs/dbraw/zinc/62/85/59/437628559.db2.gz IYUAIYBUBUKLBK-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000340496314 437672539 /nfs/dbraw/zinc/67/25/39/437672539.db2.gz MINITOIBJXJTOY-UHFFFAOYSA-N 1 3 346.475 0.919 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340443193 437646868 /nfs/dbraw/zinc/64/68/68/437646868.db2.gz FMCLWLKKIHIBBH-INIZCTEOSA-N 1 3 344.525 0.388 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340443193 437646875 /nfs/dbraw/zinc/64/68/75/437646875.db2.gz FMCLWLKKIHIBBH-INIZCTEOSA-N 1 3 344.525 0.388 20 0 ECADHO CCOC(=O)[C@@](C)(O)CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000331046832 437679367 /nfs/dbraw/zinc/67/93/67/437679367.db2.gz GIKZWGMIGGBVNB-YOEHRIQHSA-N 1 3 327.469 0.401 20 0 ECADHO CCOC(=O)[C@@](C)(O)CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000331046832 437679372 /nfs/dbraw/zinc/67/93/72/437679372.db2.gz GIKZWGMIGGBVNB-YOEHRIQHSA-N 1 3 327.469 0.401 20 0 ECADHO CCN(C)C(=O)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000361688683 437681526 /nfs/dbraw/zinc/68/15/26/437681526.db2.gz BQPIPENBWAGCDM-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CCN(C)C(=O)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000361688683 437681530 /nfs/dbraw/zinc/68/15/30/437681530.db2.gz BQPIPENBWAGCDM-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000344001125 437717086 /nfs/dbraw/zinc/71/70/86/437717086.db2.gz WQIUQNBYYUKJNW-KFWWJZLASA-N 1 3 332.514 0.577 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000344001125 437717089 /nfs/dbraw/zinc/71/70/89/437717089.db2.gz WQIUQNBYYUKJNW-KFWWJZLASA-N 1 3 332.514 0.577 20 0 ECADHO CN(C)[C@]1(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CCSC1 ZINC000362218552 437724336 /nfs/dbraw/zinc/72/43/36/437724336.db2.gz LYVCNNJGOPPHTF-HNNXBMFYSA-N 1 3 340.497 1.004 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000340790095 437734931 /nfs/dbraw/zinc/73/49/31/437734931.db2.gz HRKMENGSYJYVQV-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340807962 437741174 /nfs/dbraw/zinc/74/11/74/437741174.db2.gz YMDOAPSNKXGCKJ-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340807962 437741177 /nfs/dbraw/zinc/74/11/77/437741177.db2.gz YMDOAPSNKXGCKJ-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@H](C)CC[NH3+])c(OCCN(C)C)c1 ZINC000415561942 437821688 /nfs/dbraw/zinc/82/16/88/437821688.db2.gz WUKGOPZTSZOTJV-CYBMUJFWSA-N 1 3 336.436 0.727 20 0 ECADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000423746392 437823559 /nfs/dbraw/zinc/82/35/59/437823559.db2.gz REKSECRHXOLPIR-IAGOWNOFSA-N 1 3 338.496 0.384 20 0 ECADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000423746392 437823564 /nfs/dbraw/zinc/82/35/64/437823564.db2.gz REKSECRHXOLPIR-IAGOWNOFSA-N 1 3 338.496 0.384 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000423759438 437826174 /nfs/dbraw/zinc/82/61/74/437826174.db2.gz PDRRHJQMZRFXLT-GJZGRUSLSA-N 1 3 325.453 0.766 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000415294696 437776676 /nfs/dbraw/zinc/77/66/76/437776676.db2.gz GGUSPUKRFGJVPA-AWEZNQCLSA-N 1 3 334.420 0.386 20 0 ECADHO CCN(CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)C1CC1 ZINC000356526707 437778837 /nfs/dbraw/zinc/77/88/37/437778837.db2.gz OPMJRHWNFPBBRO-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000356526707 437778842 /nfs/dbraw/zinc/77/88/42/437778842.db2.gz OPMJRHWNFPBBRO-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)CC1=O ZINC000356547350 437783360 /nfs/dbraw/zinc/78/33/60/437783360.db2.gz LAROSCFDWBLVNC-ZMSDIMECSA-N 1 3 348.491 0.672 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)CC1=O ZINC000356547350 437783362 /nfs/dbraw/zinc/78/33/62/437783362.db2.gz LAROSCFDWBLVNC-ZMSDIMECSA-N 1 3 348.491 0.672 20 0 ECADHO CCN1CC[NH+](CCCCNC(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000370484048 437791455 /nfs/dbraw/zinc/79/14/55/437791455.db2.gz KMPDCSUFIFKTOR-KRWDZBQOSA-N 1 3 340.512 0.630 20 0 ECADHO C[C@H](CNC(=O)NCCN1CCSCC1)C[NH+]1CCN(C)CC1 ZINC000341125957 437799525 /nfs/dbraw/zinc/79/95/25/437799525.db2.gz MELHHQLKXOESAP-OAHLLOKOSA-N 1 3 343.541 0.218 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000423728032 437815955 /nfs/dbraw/zinc/81/59/55/437815955.db2.gz VRMGMHLHEBNMPI-OWCLPIDISA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000423728032 437815960 /nfs/dbraw/zinc/81/59/60/437815960.db2.gz VRMGMHLHEBNMPI-OWCLPIDISA-N 1 3 338.496 0.905 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)CC[NH3+])cc2)CC1 ZINC000415869317 437874475 /nfs/dbraw/zinc/87/44/75/437874475.db2.gz ZVSAXEBTSRQPSM-UHFFFAOYSA-N 1 3 347.463 0.180 20 0 ECADHO [NH3+][C@@H]1CCc2ncc(NC(=O)NC[C@@H]3CCCN3CCCO)cc2C1 ZINC000415953283 437879679 /nfs/dbraw/zinc/87/96/79/437879679.db2.gz FJYUMJHYBQSKNB-ZBFHGGJFSA-N 1 3 347.463 0.866 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c(OCCN(C)C)c1 ZINC000415789502 437859644 /nfs/dbraw/zinc/85/96/44/437859644.db2.gz NGWMPOHKVYQIGL-UHFFFAOYSA-N 1 3 348.447 0.822 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCN1C(C)=O ZINC000357159578 437925098 /nfs/dbraw/zinc/92/50/98/437925098.db2.gz RNBLWGWFNDUJKT-DLBZAZTESA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCN1C(C)=O ZINC000357159578 437925104 /nfs/dbraw/zinc/92/51/04/437925104.db2.gz RNBLWGWFNDUJKT-DLBZAZTESA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415959349 437883331 /nfs/dbraw/zinc/88/33/31/437883331.db2.gz YWYOWNAACOSLFL-UHFFFAOYSA-N 1 3 335.456 0.690 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000357030158 437890890 /nfs/dbraw/zinc/89/08/90/437890890.db2.gz SXVSGZFAOQBJNX-WTXIUTQJSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000357030158 437890896 /nfs/dbraw/zinc/89/08/96/437890896.db2.gz SXVSGZFAOQBJNX-WTXIUTQJSA-N 1 3 336.480 0.718 20 0 ECADHO COc1ccc([C@H]2[C@@H](CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CCCN2C)cc1 ZINC000365331701 437897108 /nfs/dbraw/zinc/89/71/08/437897108.db2.gz PLXYEMWDLPUZDO-ATLSCFEFSA-N 1 3 347.459 0.917 20 0 ECADHO C[C@H]1CC2(CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)CC[NH2+]CC2 ZINC000424221005 437904129 /nfs/dbraw/zinc/90/41/29/437904129.db2.gz BDHHMBSWNDXNMV-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO C[NH2+]CCc1ccccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424223272 437904187 /nfs/dbraw/zinc/90/41/87/437904187.db2.gz HJNVSIJADMDDCF-DLBZAZTESA-N 1 3 327.432 0.749 20 0 ECADHO CC[C@@H](CNC(=O)N(CC[NH3+])CCO)N1CCc2ccccc2C1 ZINC000417023233 438017410 /nfs/dbraw/zinc/01/74/10/438017410.db2.gz VSLGDCPWULTUEX-KRWDZBQOSA-N 1 3 334.464 0.786 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425396355 438023986 /nfs/dbraw/zinc/02/39/86/438023986.db2.gz YPFAYBAVLHUJGW-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417392446 438045767 /nfs/dbraw/zinc/04/57/67/438045767.db2.gz SQJLIYWEPHTPHC-MRXNPFEDSA-N 1 3 348.495 0.891 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417398641 438046538 /nfs/dbraw/zinc/04/65/38/438046538.db2.gz ZALKCSUTVAIOCO-FVQHAEBGSA-N 1 3 344.463 0.111 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417429585 438047640 /nfs/dbraw/zinc/04/76/40/438047640.db2.gz NHQCPAXRWYRUIJ-LSDHHAIUSA-N 1 3 339.484 0.452 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000416982980 438011017 /nfs/dbraw/zinc/01/10/17/438011017.db2.gz WTRNHPNQAFSXAA-GOEBONIOSA-N 1 3 325.501 0.829 20 0 ECADHO COC[C@]1(CNC(=O)NC[C@@]2(N(C)C)CCSC2)CCC[NH2+]1 ZINC000417808627 438081314 /nfs/dbraw/zinc/08/13/14/438081314.db2.gz AEFUYGOKFYYWKF-CABCVRRESA-N 1 3 330.498 0.492 20 0 ECADHO O=C(NCCCNC(=O)[C@@H]1CCCN1C1CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000342947966 438091635 /nfs/dbraw/zinc/09/16/35/438091635.db2.gz UPMFASAHEGVLJC-CALCHBBNSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NCCCNC(=O)[C@@H]1CCCN1C1CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000342947966 438091637 /nfs/dbraw/zinc/09/16/37/438091637.db2.gz UPMFASAHEGVLJC-CALCHBBNSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@H]1CCCN1C1CC1 ZINC000342947966 438091638 /nfs/dbraw/zinc/09/16/38/438091638.db2.gz UPMFASAHEGVLJC-CALCHBBNSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NCCCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@H]1CCCN1C1CC1 ZINC000342947966 438091640 /nfs/dbraw/zinc/09/16/40/438091640.db2.gz UPMFASAHEGVLJC-CALCHBBNSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417994392 438098477 /nfs/dbraw/zinc/09/84/77/438098477.db2.gz YUJQVQRQOPTFFS-WBVHZDCISA-N 1 3 333.480 0.710 20 0 ECADHO [NH3+][C@@H]1CCCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000417994705 438098611 /nfs/dbraw/zinc/09/86/11/438098611.db2.gz PGVAZPMLLIDZPJ-SJORKVTESA-N 1 3 332.448 0.886 20 0 ECADHO [NH3+]C[C@H]1CCCN1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418004712 438101160 /nfs/dbraw/zinc/10/11/60/438101160.db2.gz ZXOPUOBMIWJJOV-IAGOWNOFSA-N 1 3 332.448 0.886 20 0 ECADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[NH+](C)C ZINC000342998164 438101258 /nfs/dbraw/zinc/10/12/58/438101258.db2.gz GPNJRXGAPBWGOS-UCMJJCQDSA-N 1 3 338.496 0.772 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000417616832 438062972 /nfs/dbraw/zinc/06/29/72/438062972.db2.gz ZNZOQNRUKKHROD-HNNXBMFYSA-N 1 3 337.472 0.815 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000417616832 438062978 /nfs/dbraw/zinc/06/29/78/438062978.db2.gz ZNZOQNRUKKHROD-HNNXBMFYSA-N 1 3 337.472 0.815 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)CN1CCN(C)CC1 ZINC000417743055 438072595 /nfs/dbraw/zinc/07/25/95/438072595.db2.gz BVKCIPCPGKGPLK-BRWVUGGUSA-N 1 3 339.528 0.934 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427048877 438075496 /nfs/dbraw/zinc/07/54/96/438075496.db2.gz JUDWADLCFVZIHG-HOTGVXAUSA-N 1 3 334.464 0.378 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427048877 438075502 /nfs/dbraw/zinc/07/55/02/438075502.db2.gz JUDWADLCFVZIHG-HOTGVXAUSA-N 1 3 334.464 0.378 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427308312 438078351 /nfs/dbraw/zinc/07/83/51/438078351.db2.gz LBCIIXGKTFFSOE-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CNCCC2(F)F)CCCO1 ZINC000418116429 438107662 /nfs/dbraw/zinc/10/76/62/438107662.db2.gz QEIRBLNLVHMGGF-CHWSQXEVSA-N 1 3 334.411 0.784 20 0 ECADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CNCCC2(F)F)CCCO1 ZINC000418116429 438107666 /nfs/dbraw/zinc/10/76/66/438107666.db2.gz QEIRBLNLVHMGGF-CHWSQXEVSA-N 1 3 334.411 0.784 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[C@H](CC[NH3+])C2)CC1(C)C ZINC000418156549 438112710 /nfs/dbraw/zinc/11/27/10/438112710.db2.gz ATOZKDAOWRQBBJ-OAHLLOKOSA-N 1 3 325.501 0.783 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418315803 438128516 /nfs/dbraw/zinc/12/85/16/438128516.db2.gz KSYNKXYIALERTA-OAHLLOKOSA-N 1 3 339.484 0.182 20 0 ECADHO O=C(CNC(=O)NC[C@H]1CCC[NH2+]C1)NCCN1CCCCCC1 ZINC000418323726 438131636 /nfs/dbraw/zinc/13/16/36/438131636.db2.gz VCGKPIIKXGVAME-HNNXBMFYSA-N 1 3 339.484 0.277 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418366934 438135610 /nfs/dbraw/zinc/13/56/10/438135610.db2.gz KOSRJVZKRNFCND-SQNIBIBYSA-N 1 3 346.475 0.921 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418385998 438139243 /nfs/dbraw/zinc/13/92/43/438139243.db2.gz MINNHPXPYLGUPJ-HOCLYGCPSA-N 1 3 325.501 0.780 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)CNC[C@H]3CCCO3)CC2)CC1 ZINC000431043922 438143561 /nfs/dbraw/zinc/14/35/61/438143561.db2.gz GCTXHPVYGIKLSL-QGZVFWFLSA-N 1 3 338.496 0.430 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418430445 438145001 /nfs/dbraw/zinc/14/50/01/438145001.db2.gz UTCWYRPUXDTSAX-GJZGRUSLSA-N 1 3 339.484 0.308 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418443191 438145646 /nfs/dbraw/zinc/14/56/46/438145646.db2.gz URROCPZLHLIQMI-UHFFFAOYSA-N 1 3 341.500 0.795 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418446277 438147139 /nfs/dbraw/zinc/14/71/39/438147139.db2.gz PFOLOYTWKZBDHN-HNNXBMFYSA-N 1 3 341.500 0.651 20 0 ECADHO [NH3+][C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000418500990 438150100 /nfs/dbraw/zinc/15/01/00/438150100.db2.gz QLJVYWYZAIDYCY-KSZLIROESA-N 1 3 346.475 0.906 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418756728 438183368 /nfs/dbraw/zinc/18/33/68/438183368.db2.gz ALHJFFQMVLRKQI-CABCVRRESA-N 1 3 339.484 0.309 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418771073 438185391 /nfs/dbraw/zinc/18/53/91/438185391.db2.gz RKFNXMZMZBHALK-CABCVRRESA-N 1 3 328.457 0.117 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418584848 438162175 /nfs/dbraw/zinc/16/21/75/438162175.db2.gz CNVWOCTXNSXHSN-JKSUJKDBSA-N 1 3 326.485 0.896 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C(=O)NCCN(C)C ZINC000418598822 438163712 /nfs/dbraw/zinc/16/37/12/438163712.db2.gz QSZKYBHXFSGASK-KKUMJFAQSA-N 1 3 341.500 0.376 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1CN ZINC000418845923 438212120 /nfs/dbraw/zinc/21/21/20/438212120.db2.gz PXAMZMMYLDGBCO-HIFRSBDPSA-N 1 3 338.496 0.951 20 0 ECADHO CCCN(C(=O)C(=O)NCC(C)(C)N1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000418846007 438212849 /nfs/dbraw/zinc/21/28/49/438212849.db2.gz WYWGBPFQVASYHE-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418845409 438213523 /nfs/dbraw/zinc/21/35/23/438213523.db2.gz VJKJNOFPSWJQPV-UHFFFAOYSA-N 1 3 326.485 0.810 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)Cc1ccccc1 ZINC000418848969 438215038 /nfs/dbraw/zinc/21/50/38/438215038.db2.gz MCIXPWAXCFPBEP-INIZCTEOSA-N 1 3 332.448 0.225 20 0 ECADHO C[C@H](NC(=O)CCCN1CCC([NH3+])CC1)[C@H](C)N1CCOCC1 ZINC000433121131 438224182 /nfs/dbraw/zinc/22/41/82/438224182.db2.gz QLCFZAROQXEJLK-GJZGRUSLSA-N 1 3 326.485 0.415 20 0 ECADHO C[C@@H](NC(=O)CCCN1CCC([NH3+])CC1)[C@H](C)N1CCOCC1 ZINC000433121129 438225868 /nfs/dbraw/zinc/22/58/68/438225868.db2.gz QLCFZAROQXEJLK-CABCVRRESA-N 1 3 326.485 0.415 20 0 ECADHO [NH3+]C1CCN(CCCC(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000433159647 438227831 /nfs/dbraw/zinc/22/78/31/438227831.db2.gz SHSJQBWJIRSXJE-UHFFFAOYSA-N 1 3 338.496 0.513 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418876143 438231775 /nfs/dbraw/zinc/23/17/75/438231775.db2.gz LOBIINMLZHUKLO-OIISXLGYSA-N 1 3 346.475 0.390 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418835019 438206913 /nfs/dbraw/zinc/20/69/13/438206913.db2.gz PFFWGPRLQMHVHO-QWHCGFSZSA-N 1 3 340.468 0.206 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000418943332 438259883 /nfs/dbraw/zinc/25/98/83/438259883.db2.gz YOGPZKCYWJTVBJ-OAHLLOKOSA-N 1 3 326.485 0.714 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000418958191 438264913 /nfs/dbraw/zinc/26/49/13/438264913.db2.gz FRZKSWKSISOLLB-DOTOQJQBSA-N 1 3 346.475 0.691 20 0 ECADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000418993595 438277575 /nfs/dbraw/zinc/27/75/75/438277575.db2.gz HEUUXPJTVYHTBN-DOTOQJQBSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC000419020970 438290843 /nfs/dbraw/zinc/29/08/43/438290843.db2.gz AKTHWWKXHDVEJU-KFWWJZLASA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419022834 438290886 /nfs/dbraw/zinc/29/08/86/438290886.db2.gz IULHTINRMCQRJO-QLFBSQMISA-N 1 3 338.496 0.666 20 0 ECADHO CCOC(=O)[C@](C)(O)CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368361195 438319589 /nfs/dbraw/zinc/31/95/89/438319589.db2.gz MIBXVCRKYABSBF-DOTOQJQBSA-N 1 3 327.469 0.401 20 0 ECADHO CCOC(=O)[C@](C)(O)CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368361195 438319593 /nfs/dbraw/zinc/31/95/93/438319593.db2.gz MIBXVCRKYABSBF-DOTOQJQBSA-N 1 3 327.469 0.401 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351767866 438337195 /nfs/dbraw/zinc/33/71/95/438337195.db2.gz HMTVWAHKWWAXKY-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](C(=O)NC[C@@H]1CCCN1C)[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000358770478 438298249 /nfs/dbraw/zinc/29/82/49/438298249.db2.gz XAWLDXUIJVRRCC-VGWMRTNUSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](C(=O)NC[C@@H]1CCCN1C)[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000358770478 438298252 /nfs/dbraw/zinc/29/82/52/438298252.db2.gz XAWLDXUIJVRRCC-VGWMRTNUSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419050272 438305051 /nfs/dbraw/zinc/30/50/51/438305051.db2.gz YNYFPHHHQSWKMH-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000358817436 438308143 /nfs/dbraw/zinc/30/81/43/438308143.db2.gz CAYKZMVIHOUYKI-QLFBSQMISA-N 1 3 340.512 0.878 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000420123136 438387950 /nfs/dbraw/zinc/38/79/50/438387950.db2.gz AVWRUKDLRPZGJS-RBSFLKMASA-N 1 3 326.485 0.951 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000420123136 438387954 /nfs/dbraw/zinc/38/79/54/438387954.db2.gz AVWRUKDLRPZGJS-RBSFLKMASA-N 1 3 326.485 0.951 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(C4CCCC4)C3)C[C@@H]12 ZINC000419697218 438366234 /nfs/dbraw/zinc/36/62/34/438366234.db2.gz QJHXFRFTRMOEIS-RRCSTGOVSA-N 1 3 334.464 0.315 20 0 ECADHO O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)NCC1C[NH2+]C1 ZINC000419668610 438367132 /nfs/dbraw/zinc/36/71/32/438367132.db2.gz DFBWTUANTDWQJJ-UHFFFAOYSA-N 1 3 336.480 0.485 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000419691130 438367474 /nfs/dbraw/zinc/36/74/74/438367474.db2.gz DJBJOXHKWFRFJV-GDBMZVCRSA-N 1 3 336.480 0.720 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419699696 438368955 /nfs/dbraw/zinc/36/89/55/438368955.db2.gz RJALIRIZRDPKSR-HUUCEWRRSA-N 1 3 326.485 0.727 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419958203 438380220 /nfs/dbraw/zinc/38/02/20/438380220.db2.gz PPLOPJUHILGQLP-GJZGRUSLSA-N 1 3 326.485 0.666 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419958203 438380223 /nfs/dbraw/zinc/38/02/23/438380223.db2.gz PPLOPJUHILGQLP-GJZGRUSLSA-N 1 3 326.485 0.666 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1(C)C ZINC000369106829 438424103 /nfs/dbraw/zinc/42/41/03/438424103.db2.gz MCUAHLHQGSSNOV-INIZCTEOSA-N 1 3 337.512 0.892 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000359325833 438411637 /nfs/dbraw/zinc/41/16/37/438411637.db2.gz TZKHGEIWRWELQV-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000359325833 438411640 /nfs/dbraw/zinc/41/16/40/438411640.db2.gz TZKHGEIWRWELQV-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO COCCCN1CCCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000369556658 438490098 /nfs/dbraw/zinc/49/00/98/438490098.db2.gz OCQSCJRAPQHRIC-INIZCTEOSA-N 1 3 349.479 0.992 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000421520856 438490314 /nfs/dbraw/zinc/49/03/14/438490314.db2.gz QTAKPKLYTNNLFE-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000421557901 438491154 /nfs/dbraw/zinc/49/11/54/438491154.db2.gz NDQARAFBOSYPCW-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000421557901 438491160 /nfs/dbraw/zinc/49/11/60/438491160.db2.gz NDQARAFBOSYPCW-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCN(C[C@H]2CCCN(C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000369364203 438459723 /nfs/dbraw/zinc/45/97/23/438459723.db2.gz QGMVGDKJNKEJNX-MRXNPFEDSA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCN(C[C@H]2CCCN(C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000369364203 438459727 /nfs/dbraw/zinc/45/97/27/438459727.db2.gz QGMVGDKJNKEJNX-MRXNPFEDSA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(CC4CC4)CC3)C2)CC1 ZINC000369362223 438460480 /nfs/dbraw/zinc/46/04/80/438460480.db2.gz DTAHWKIHEKHXIG-QGZVFWFLSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(CC4CC4)CC3)C2)CC1 ZINC000369362223 438460488 /nfs/dbraw/zinc/46/04/88/438460488.db2.gz DTAHWKIHEKHXIG-QGZVFWFLSA-N 1 3 349.523 0.892 20 0 ECADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(CC4CC4)CC3)C2)CC1 ZINC000369362223 438460492 /nfs/dbraw/zinc/46/04/92/438460492.db2.gz DTAHWKIHEKHXIG-QGZVFWFLSA-N 1 3 349.523 0.892 20 0 ECADHO COC(=O)CN(C)C(=O)CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441260225 438580821 /nfs/dbraw/zinc/58/08/21/438580821.db2.gz AIXNXOSMWKJGBU-RRFJBIMHSA-N 1 3 341.452 0.191 20 0 ECADHO CN1CCC(O)(CNC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000442241848 438601200 /nfs/dbraw/zinc/60/12/00/438601200.db2.gz LTTNCXHRHIFASG-UHFFFAOYSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H]1CCNC[C@@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422722982 438603040 /nfs/dbraw/zinc/60/30/40/438603040.db2.gz ZHRKBILYKQLAHZ-IRXDYDNUSA-N 1 3 332.496 0.966 20 0 ECADHO COC[C@@H](CCC[NH3+])NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422767014 438604870 /nfs/dbraw/zinc/60/48/70/438604870.db2.gz QSHXJMXYJMWWFW-MRXNPFEDSA-N 1 3 334.464 0.679 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000423128574 438641041 /nfs/dbraw/zinc/64/10/41/438641041.db2.gz LCMZQPBGWCGSOX-INIZCTEOSA-N 1 3 340.512 0.881 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)[C@@H](C)C1 ZINC000410732679 438647030 /nfs/dbraw/zinc/64/70/30/438647030.db2.gz SSCQXOUZFLYXCZ-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)[C@@H](C)C1 ZINC000410732679 438647035 /nfs/dbraw/zinc/64/70/35/438647035.db2.gz SSCQXOUZFLYXCZ-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@H](NCCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423205801 438648147 /nfs/dbraw/zinc/64/81/47/438648147.db2.gz PPDIEJRNMZRXOH-AWEZNQCLSA-N 1 3 340.493 0.493 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(C)c2)C1 ZINC000423255271 438652562 /nfs/dbraw/zinc/65/25/62/438652562.db2.gz BLEMIOBTFWVKQA-QGZVFWFLSA-N 1 3 346.475 0.706 20 0 ECADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410767303 438654169 /nfs/dbraw/zinc/65/41/69/438654169.db2.gz NZCVUIMXRAHPBS-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410882389 438666252 /nfs/dbraw/zinc/66/62/52/438666252.db2.gz FMABXGDZSITOJY-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423360644 438666327 /nfs/dbraw/zinc/66/63/27/438666327.db2.gz GCDWPTYGOZRFAL-GOSISDBHSA-N 1 3 348.447 0.382 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000410917132 438668382 /nfs/dbraw/zinc/66/83/82/438668382.db2.gz TWSALOAUAPZRKT-SFHVURJKSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000410917132 438668383 /nfs/dbraw/zinc/66/83/83/438668383.db2.gz TWSALOAUAPZRKT-SFHVURJKSA-N 1 3 336.480 0.483 20 0 ECADHO COC[C@@]1(C(=O)NCC(C)(C)N2CCC(OC)CC2)CC[NH2+]C1 ZINC000423380046 438669220 /nfs/dbraw/zinc/66/92/20/438669220.db2.gz DGHFEUDNQZGEKI-QGZVFWFLSA-N 1 3 327.469 0.618 20 0 ECADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423438755 438677126 /nfs/dbraw/zinc/67/71/26/438677126.db2.gz HHPDUXNRXXYERI-UHFFFAOYSA-N 1 3 342.484 0.001 20 0 ECADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423438755 438677128 /nfs/dbraw/zinc/67/71/28/438677128.db2.gz HHPDUXNRXXYERI-UHFFFAOYSA-N 1 3 342.484 0.001 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000423564495 438689193 /nfs/dbraw/zinc/68/91/93/438689193.db2.gz OUBLLOVEWFVPQB-INIZCTEOSA-N 1 3 330.432 0.823 20 0 ECADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000423569736 438689741 /nfs/dbraw/zinc/68/97/41/438689741.db2.gz SUYARUKWGSXJLS-OAHLLOKOSA-N 1 3 346.431 0.660 20 0 ECADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000423569736 438689746 /nfs/dbraw/zinc/68/97/46/438689746.db2.gz SUYARUKWGSXJLS-OAHLLOKOSA-N 1 3 346.431 0.660 20 0 ECADHO CN(CCCNC(=O)c1cn(CCC[NH3+])nn1)Cc1ccccc1 ZINC000423306616 438658722 /nfs/dbraw/zinc/65/87/22/438658722.db2.gz FDHZHNXWEIMADF-UHFFFAOYSA-N 1 3 330.436 0.879 20 0 ECADHO CN(C)[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)Cc1ccccc1 ZINC000423306812 438659067 /nfs/dbraw/zinc/65/90/67/438659067.db2.gz MAJASESKFXHMAI-OAHLLOKOSA-N 1 3 330.436 0.530 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)N(C)C1CC1 ZINC000414878069 438719056 /nfs/dbraw/zinc/71/90/56/438719056.db2.gz NFBPYZMWKLZGLB-LBPRGKRZSA-N 1 3 334.420 0.562 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000554358794 438761955 /nfs/dbraw/zinc/76/19/55/438761955.db2.gz QSUHNBNOTPFLHJ-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000575973975 438763019 /nfs/dbraw/zinc/76/30/19/438763019.db2.gz GHALJGPVDQZAGX-BZUAXINKSA-N 1 3 340.512 0.973 20 0 ECADHO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000576434478 438782918 /nfs/dbraw/zinc/78/29/18/438782918.db2.gz VWPMVXCJJWQUNK-INIZCTEOSA-N 1 3 334.464 0.284 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000556801530 438789355 /nfs/dbraw/zinc/78/93/55/438789355.db2.gz DZOKLWYGNYCEAI-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000577172546 438818322 /nfs/dbraw/zinc/81/83/22/438818322.db2.gz ZJGMPBFTKHKMBS-UKRRQHHQSA-N 1 3 343.427 0.717 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000577172546 438818328 /nfs/dbraw/zinc/81/83/28/438818328.db2.gz ZJGMPBFTKHKMBS-UKRRQHHQSA-N 1 3 343.427 0.717 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000577172546 438818336 /nfs/dbraw/zinc/81/83/36/438818336.db2.gz ZJGMPBFTKHKMBS-UKRRQHHQSA-N 1 3 343.427 0.717 20 0 ECADHO CC1CC[NH+](CCNC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000457697267 438821753 /nfs/dbraw/zinc/82/17/53/438821753.db2.gz UCLBAYMEEGUBCJ-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000595954147 438898090 /nfs/dbraw/zinc/89/80/90/438898090.db2.gz GRLAQPOTPOOEHD-CQSZACIVSA-N 1 3 325.453 0.766 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C(C)(C)C[NH+](C)C ZINC000515395116 438867680 /nfs/dbraw/zinc/86/76/80/438867680.db2.gz GSAUHQSOODFCIR-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CS[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1N(C)C ZINC000577862645 438877660 /nfs/dbraw/zinc/87/76/60/438877660.db2.gz FCJQISMENGADLN-UONOGXRCSA-N 1 3 325.482 0.562 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CF)C(=O)OC)CC2)CC1 ZINC000577864636 438877706 /nfs/dbraw/zinc/87/77/06/438877706.db2.gz QJVHQRYTRXWJPF-HNNXBMFYSA-N 1 3 343.443 0.810 20 0 ECADHO COC(=O)CCN1CC[C@@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000595900928 438880611 /nfs/dbraw/zinc/88/06/11/438880611.db2.gz PFXVVDQLZRAKRH-JKSUJKDBSA-N 1 3 337.464 0.862 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000564933976 438890769 /nfs/dbraw/zinc/89/07/69/438890769.db2.gz XCNCWNGEZHFSFU-GTPINHCMSA-N 1 3 340.512 0.663 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000564935815 438890928 /nfs/dbraw/zinc/89/09/28/438890928.db2.gz CDGPVXGGMWINCE-KGLIPLIRSA-N 1 3 335.452 0.669 20 0 ECADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccco1 ZINC000578052943 438892594 /nfs/dbraw/zinc/89/25/94/438892594.db2.gz OUNLGCJPWZGXDH-ZNMIVQPWSA-N 1 3 337.468 0.993 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000578300568 438911515 /nfs/dbraw/zinc/91/15/15/438911515.db2.gz NIJYNLDFTOSAAQ-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000578323509 438915086 /nfs/dbraw/zinc/91/50/86/438915086.db2.gz LIBXSPWGMYDJKK-RRFJBIMHSA-N 1 3 334.464 0.865 20 0 ECADHO C[NH+](C)CCCOC1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000578354163 438916349 /nfs/dbraw/zinc/91/63/49/438916349.db2.gz QDHVCWOBLJUZGT-MRXNPFEDSA-N 1 3 327.469 0.714 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000516879148 438932579 /nfs/dbraw/zinc/93/25/79/438932579.db2.gz NYHWKDYQSIGKOU-HUUCEWRRSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000565255850 438937719 /nfs/dbraw/zinc/93/77/19/438937719.db2.gz VQVMKIBBEPEGAJ-HNNXBMFYSA-N 1 3 336.480 0.649 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000517036351 438948015 /nfs/dbraw/zinc/94/80/15/438948015.db2.gz DGOXUCGFZBOITQ-OAHLLOKOSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000565470170 438953071 /nfs/dbraw/zinc/95/30/71/438953071.db2.gz GAZONMXZRHEZHM-ZACQAIPSSA-N 1 3 337.512 0.938 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000517229867 438955991 /nfs/dbraw/zinc/95/59/91/438955991.db2.gz BYQHLMKFGRZQJX-JTDSTZFVSA-N 1 3 348.491 0.674 20 0 ECADHO CN1CC=C(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000578864764 438960972 /nfs/dbraw/zinc/96/09/72/438960972.db2.gz WKLAKNOWZOXGGZ-CYBMUJFWSA-N 1 3 349.401 0.384 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000565606962 438963432 /nfs/dbraw/zinc/96/34/32/438963432.db2.gz VAWMQFCAKHRIRH-KRWDZBQOSA-N 1 3 339.480 0.857 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000578979663 438970893 /nfs/dbraw/zinc/97/08/93/438970893.db2.gz PMLODKXRMZQIFR-IRXDYDNUSA-N 1 3 332.448 0.939 20 0 ECADHO COC[C@H](C)OC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000580064194 439058968 /nfs/dbraw/zinc/05/89/68/439058968.db2.gz OZFRQOFHYSOTEB-ORQFMDKSSA-N 1 3 330.469 0.366 20 0 ECADHO CN(C)CCn1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)n1 ZINC000566193274 439021683 /nfs/dbraw/zinc/02/16/83/439021683.db2.gz FUPNPTYGKVSGSX-CQSZACIVSA-N 1 3 331.424 0.818 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000459896020 439026922 /nfs/dbraw/zinc/02/69/22/439026922.db2.gz LLXLDBFBPVKTLE-UHFFFAOYSA-N 1 3 326.485 0.587 20 0 ECADHO CC(C)CN1CCCC[C@H]1C[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000580435222 439091718 /nfs/dbraw/zinc/09/17/18/439091718.db2.gz PZGZFXHLYRRAAW-ZWKOTPCHSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000580435222 439091721 /nfs/dbraw/zinc/09/17/21/439091721.db2.gz PZGZFXHLYRRAAW-ZWKOTPCHSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@H]1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000580435222 439091724 /nfs/dbraw/zinc/09/17/24/439091724.db2.gz PZGZFXHLYRRAAW-ZWKOTPCHSA-N 1 3 326.529 0.695 20 0 ECADHO Cc1cc(C)nc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000580513910 439097738 /nfs/dbraw/zinc/09/77/38/439097738.db2.gz SHWAEQOBMXAZQA-UHFFFAOYSA-N 1 3 335.452 0.589 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)C1 ZINC000479282783 439116204 /nfs/dbraw/zinc/11/62/04/439116204.db2.gz GLNUIRYBLLLAME-NUEKZKHPSA-N 1 3 346.431 0.045 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)C1 ZINC000479282783 439116209 /nfs/dbraw/zinc/11/62/09/439116209.db2.gz GLNUIRYBLLLAME-NUEKZKHPSA-N 1 3 346.431 0.045 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460075588 439072746 /nfs/dbraw/zinc/07/27/46/439072746.db2.gz LUKZLYAEMCHCHB-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000567246952 439126406 /nfs/dbraw/zinc/12/64/06/439126406.db2.gz AHTPQXZGFJVILG-NJAFHUGGSA-N 1 3 345.491 0.710 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000580772693 439129213 /nfs/dbraw/zinc/12/92/13/439129213.db2.gz QKDGVIOHOAMOCJ-GJZGRUSLSA-N 1 3 325.501 0.781 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)C1 ZINC000567406945 439141456 /nfs/dbraw/zinc/14/14/56/439141456.db2.gz XJHAOXYQUUXLKS-DLBZAZTESA-N 1 3 338.496 0.370 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)C1 ZINC000567406945 439141458 /nfs/dbraw/zinc/14/14/58/439141458.db2.gz XJHAOXYQUUXLKS-DLBZAZTESA-N 1 3 338.496 0.370 20 0 ECADHO CCC[C@H]1CNCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000567573022 439151399 /nfs/dbraw/zinc/15/13/99/439151399.db2.gz PGVVSPJPDUWUOT-JCYILVPMSA-N 1 3 337.512 0.986 20 0 ECADHO CCC[C@H]1CNCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000567573022 439151403 /nfs/dbraw/zinc/15/14/03/439151403.db2.gz PGVVSPJPDUWUOT-JCYILVPMSA-N 1 3 337.512 0.986 20 0 ECADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)CN1CCN(C)CC1 ZINC000567680877 439165109 /nfs/dbraw/zinc/16/51/09/439165109.db2.gz HBMASJYTFJUOIQ-MHORFTMASA-N 1 3 326.529 0.551 20 0 ECADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)CN1CCN(C)CC1 ZINC000567680877 439165115 /nfs/dbraw/zinc/16/51/15/439165115.db2.gz HBMASJYTFJUOIQ-MHORFTMASA-N 1 3 326.529 0.551 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000567680877 439165119 /nfs/dbraw/zinc/16/51/19/439165119.db2.gz HBMASJYTFJUOIQ-MHORFTMASA-N 1 3 326.529 0.551 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000525884838 439223581 /nfs/dbraw/zinc/22/35/81/439223581.db2.gz UUOKIXFFRPWQIJ-UHFFFAOYSA-N 1 3 349.435 0.975 20 0 ECADHO COC(=O)C[C@H](C)N1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000592197724 439178227 /nfs/dbraw/zinc/17/82/27/439178227.db2.gz IGFWUPIVAJIOGB-STQMWFEESA-N 1 3 349.435 0.196 20 0 ECADHO CCC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(N)=O ZINC000581379816 439205508 /nfs/dbraw/zinc/20/55/08/439205508.db2.gz XKTQHONCTFMQLN-INIZCTEOSA-N 1 3 338.496 0.953 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492990 439240259 /nfs/dbraw/zinc/24/02/59/439240259.db2.gz LBVCCGKWSHOHAY-ZNMIVQPWSA-N 1 3 340.468 0.559 20 0 ECADHO C[C@H]1CC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000582259883 439312538 /nfs/dbraw/zinc/31/25/38/439312538.db2.gz SGCRAPXRQKAXIT-KBPBESRZSA-N 1 3 342.484 0.010 20 0 ECADHO Cn1nnc2cc(CNC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)ccc21 ZINC000582348055 439323025 /nfs/dbraw/zinc/32/30/25/439323025.db2.gz DBBILAITONQXAX-CQSZACIVSA-N 1 3 342.369 0.894 20 0 ECADHO COC[C@@]1(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CCC[NH2+]1 ZINC000592965215 439324449 /nfs/dbraw/zinc/32/44/49/439324449.db2.gz ULLBAAVHIYVWLX-FUHWJXTLSA-N 1 3 338.496 0.382 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000570229376 439405587 /nfs/dbraw/zinc/40/55/87/439405587.db2.gz RPWWCNXLFJOBDS-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)nn1 ZINC000529346885 439411183 /nfs/dbraw/zinc/41/11/83/439411183.db2.gz ATEIWAXXJKJULM-KGLIPLIRSA-N 1 3 333.440 0.368 20 0 ECADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000570426566 439419455 /nfs/dbraw/zinc/41/94/55/439419455.db2.gz HROOVPFBUZYLNE-HNNXBMFYSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000570913031 439459491 /nfs/dbraw/zinc/45/94/91/439459491.db2.gz XUMHZOICBRQAMF-OAGGEKHMSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NCC1CC[NH2+]CC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000570941298 439462525 /nfs/dbraw/zinc/46/25/25/439462525.db2.gz UQAXCIURTIPMJU-IBGZPJMESA-N 1 3 346.475 0.922 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC000571028053 439468448 /nfs/dbraw/zinc/46/84/48/439468448.db2.gz JXJKPAVLECBFLN-CJNGLKHVSA-N 1 3 328.416 0.433 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000583572065 439482204 /nfs/dbraw/zinc/48/22/04/439482204.db2.gz QDGDFQOVZRAFCI-IIDMSEBBSA-N 1 3 339.480 0.746 20 0 ECADHO COC(=O)CCN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)[C@H](C)C1 ZINC000571203770 439483424 /nfs/dbraw/zinc/48/34/24/439483424.db2.gz GTECMSWIIOSNRL-OLZOCXBDSA-N 1 3 349.435 0.196 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000570861937 439458210 /nfs/dbraw/zinc/45/82/10/439458210.db2.gz QTLPAUQSYDMOKT-BGTYHANMSA-N 1 3 331.460 0.888 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000570861937 439458214 /nfs/dbraw/zinc/45/82/14/439458214.db2.gz QTLPAUQSYDMOKT-BGTYHANMSA-N 1 3 331.460 0.888 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000572008166 439549939 /nfs/dbraw/zinc/54/99/39/439549939.db2.gz XKJNOFWESNGOFY-UHFFFAOYSA-N 1 3 346.475 0.952 20 0 ECADHO Cc1ncsc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000584189606 439560596 /nfs/dbraw/zinc/56/05/96/439560596.db2.gz LCBDLPZTSUJCSD-UHFFFAOYSA-N 1 3 341.481 0.020 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000584663639 439606069 /nfs/dbraw/zinc/60/60/69/439606069.db2.gz ICRWWJCDUXBHSG-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000584663639 439606071 /nfs/dbraw/zinc/60/60/71/439606071.db2.gz ICRWWJCDUXBHSG-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC000613985828 439767215 /nfs/dbraw/zinc/76/72/15/439767215.db2.gz KTUKWQFQDGGRFP-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC000613985828 439767216 /nfs/dbraw/zinc/76/72/16/439767216.db2.gz KTUKWQFQDGGRFP-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC000612546837 439727644 /nfs/dbraw/zinc/72/76/44/439727644.db2.gz WCQMMISNRSMJNW-JYJNAYRXSA-N 1 3 338.496 0.918 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC000612546837 439727647 /nfs/dbraw/zinc/72/76/47/439727647.db2.gz WCQMMISNRSMJNW-JYJNAYRXSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[C@@H]1CCN(CC)C1 ZINC000611758572 439727693 /nfs/dbraw/zinc/72/76/93/439727693.db2.gz KYFIUQZCMKAFJW-GOEBONIOSA-N 1 3 336.480 0.696 20 0 ECADHO C[C@@]1(NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC[NH2+]C1 ZINC000612898689 439745094 /nfs/dbraw/zinc/74/50/94/439745094.db2.gz GQXSBSATCDELQW-SJLPKXTDSA-N 1 3 332.448 0.804 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H](C)N1C ZINC000652370822 439827212 /nfs/dbraw/zinc/82/72/12/439827212.db2.gz QMFKBMSCMSXIEI-OWCLPIDISA-N 1 3 337.512 0.889 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H](C)N1C ZINC000652370822 439827219 /nfs/dbraw/zinc/82/72/19/439827219.db2.gz QMFKBMSCMSXIEI-OWCLPIDISA-N 1 3 337.512 0.889 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)N1C ZINC000652370822 439827225 /nfs/dbraw/zinc/82/72/25/439827225.db2.gz QMFKBMSCMSXIEI-OWCLPIDISA-N 1 3 337.512 0.889 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662764042 439881775 /nfs/dbraw/zinc/88/17/75/439881775.db2.gz LZCYUUPEDDNJBT-AWEZNQCLSA-N 1 3 341.419 0.886 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CN1C1CC1 ZINC000662754022 439874680 /nfs/dbraw/zinc/87/46/80/439874680.db2.gz BITIKBJBZXCHBI-UMVBOHGHSA-N 1 3 332.452 0.948 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000631313379 439831924 /nfs/dbraw/zinc/83/19/24/439831924.db2.gz SYECSAGFSCCJCZ-QGZVFWFLSA-N 1 3 348.495 0.297 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000631313379 439831929 /nfs/dbraw/zinc/83/19/29/439831929.db2.gz SYECSAGFSCCJCZ-QGZVFWFLSA-N 1 3 348.495 0.297 20 0 ECADHO O=C(NC1CCN(C2CC2)CC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662671396 439840623 /nfs/dbraw/zinc/84/06/23/439840623.db2.gz PGGTYZWLQBAQEU-HNNXBMFYSA-N 1 3 332.452 0.949 20 0 ECADHO CN(C)CCn1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)n1 ZINC000662705836 439852653 /nfs/dbraw/zinc/85/26/53/439852653.db2.gz RPNJSBYKAFTGAJ-CYBMUJFWSA-N 1 3 346.439 0.603 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662706705 439852742 /nfs/dbraw/zinc/85/27/42/439852742.db2.gz BHGSYHQGHBBCLL-TZMCWYRMSA-N 1 3 333.436 0.470 20 0 ECADHO CN(C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[C@H]1CCN(C2CC2)C1 ZINC000662720186 439857236 /nfs/dbraw/zinc/85/72/36/439857236.db2.gz VCZZSOPJPXAVTH-CABCVRRESA-N 1 3 332.452 0.901 20 0 ECADHO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000641895759 439933044 /nfs/dbraw/zinc/93/30/44/439933044.db2.gz UYXDPFAJPWBEJN-HPZPOOBXSA-N 1 3 335.496 0.739 20 0 ECADHO O=C(NC1CCC([NH+]2CCNCC2)CC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000641895759 439933051 /nfs/dbraw/zinc/93/30/51/439933051.db2.gz UYXDPFAJPWBEJN-HPZPOOBXSA-N 1 3 335.496 0.739 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662837672 439908739 /nfs/dbraw/zinc/90/87/39/439908739.db2.gz JLUSQYHQZAHTLX-GDBMZVCRSA-N 1 3 332.452 0.949 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652673419 439912131 /nfs/dbraw/zinc/91/21/31/439912131.db2.gz OWTAZIPZDLQWNE-KFWWJZLASA-N 1 3 338.496 0.714 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000641801457 439919479 /nfs/dbraw/zinc/91/94/79/439919479.db2.gz CJWNFHLPHIKHLV-KFWWJZLASA-N 1 3 326.485 0.175 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662868225 439920206 /nfs/dbraw/zinc/92/02/06/439920206.db2.gz YPVBGBHEDHYSCN-INMHGKMJSA-N 1 3 332.448 0.348 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000652687473 439920945 /nfs/dbraw/zinc/92/09/45/439920945.db2.gz CXPTYYBRBIFKOP-AWEZNQCLSA-N 1 3 344.459 0.789 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000642330588 439972273 /nfs/dbraw/zinc/97/22/73/439972273.db2.gz ZHTASBFMDADMOQ-KFWWJZLASA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642329766 439973818 /nfs/dbraw/zinc/97/38/18/439973818.db2.gz IUKXXFRORBCQQT-JJXSEGSLSA-N 1 3 336.480 0.576 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662974506 439973896 /nfs/dbraw/zinc/97/38/96/439973896.db2.gz KNSQPFFSPFBKPA-QGZVFWFLSA-N 1 3 346.475 0.569 20 0 ECADHO CN(CCNS(=O)(=O)N(C)C1CC[NH2+]CC1)C1CCCCC1 ZINC000631914971 439975520 /nfs/dbraw/zinc/97/55/20/439975520.db2.gz ACENWVIKDKUWHW-UHFFFAOYSA-N 1 3 332.514 0.769 20 0 ECADHO CCO[C@H]1C[C@@](N)(C(=O)NCC2(COC)CC[NH2+]CC2)C1(C)C ZINC000647038002 439978557 /nfs/dbraw/zinc/97/85/57/439978557.db2.gz LTWLLXICBIJQHI-SUMWQHHRSA-N 1 3 327.469 0.651 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000631916588 439979083 /nfs/dbraw/zinc/97/90/83/439979083.db2.gz ZBMWOPXBMFUBME-HNNXBMFYSA-N 1 3 330.498 0.475 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636658552 439981034 /nfs/dbraw/zinc/98/10/34/439981034.db2.gz RKOSFQNVMOXTQX-ZBFHGGJFSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636658552 439981042 /nfs/dbraw/zinc/98/10/42/439981042.db2.gz RKOSFQNVMOXTQX-ZBFHGGJFSA-N 1 3 338.496 0.966 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H](CC)CN1CCCC1)C1CC[NH2+]CC1 ZINC000642439321 439981422 /nfs/dbraw/zinc/98/14/22/439981422.db2.gz BQMDXVLRHDWLMN-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@H]1[NH3+] ZINC000642084391 439944885 /nfs/dbraw/zinc/94/48/85/439944885.db2.gz QUQPSOZIWZQJBZ-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000652724509 439947503 /nfs/dbraw/zinc/94/75/03/439947503.db2.gz DMJMMXHQCUVOSP-INIZCTEOSA-N 1 3 336.480 0.579 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000652737863 439958621 /nfs/dbraw/zinc/95/86/21/439958621.db2.gz XEIPMTKUBKYXFH-SFHVURJKSA-N 1 3 336.480 0.533 20 0 ECADHO O=S(=O)(CCCN1CCCC1)NCCC[NH2+]Cc1cccnc1 ZINC000631902010 439962139 /nfs/dbraw/zinc/96/21/39/439962139.db2.gz RRAIQCWNMLYDSC-UHFFFAOYSA-N 1 3 340.493 0.967 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC[N@@H+]1C ZINC000636700452 439999722 /nfs/dbraw/zinc/99/97/22/439999722.db2.gz BFHOONBLJLWTPX-IIAWOOMASA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC[N@H+]1C ZINC000636700452 439999727 /nfs/dbraw/zinc/99/97/27/439999727.db2.gz BFHOONBLJLWTPX-IIAWOOMASA-N 1 3 336.480 0.718 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000627165451 440027787 /nfs/dbraw/zinc/02/77/87/440027787.db2.gz WJVCBXNRNNSSFQ-MWDXBVQZSA-N 1 3 337.512 0.794 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000647254811 440029041 /nfs/dbraw/zinc/02/90/41/440029041.db2.gz YJWVHLJKTYJKPP-UHFFFAOYSA-N 1 3 343.497 0.563 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658605950 440032293 /nfs/dbraw/zinc/03/22/93/440032293.db2.gz IPEFWBAQLNQQII-UHFFFAOYSA-N 1 3 336.436 0.190 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000658605950 440032296 /nfs/dbraw/zinc/03/22/96/440032296.db2.gz IPEFWBAQLNQQII-UHFFFAOYSA-N 1 3 336.436 0.190 20 0 ECADHO CC[C@H]1CN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[C@@H]1[NH3+] ZINC000642780488 440033006 /nfs/dbraw/zinc/03/30/06/440033006.db2.gz DHZBLCHKAXPCFT-IRXDYDNUSA-N 1 3 346.475 0.950 20 0 ECADHO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663015501 439988231 /nfs/dbraw/zinc/98/82/31/439988231.db2.gz OGDGHLMCGFPGJO-ZIAGYGMSSA-N 1 3 334.468 0.381 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653115430 440071044 /nfs/dbraw/zinc/07/10/44/440071044.db2.gz OSWKBTFOCNKIIT-OAGGEKHMSA-N 1 3 336.480 0.576 20 0 ECADHO O=C([C@@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)C1)N1CCNCC1 ZINC000663493703 440086736 /nfs/dbraw/zinc/08/67/36/440086736.db2.gz DGDMYUGWMZFASA-CYBMUJFWSA-N 1 3 349.504 0.433 20 0 ECADHO C[NH+](C)CCC[C@@H]1CN(C[C@H]2CCCN(C(=O)CN)C2)CCO1 ZINC000663512734 440088429 /nfs/dbraw/zinc/08/84/29/440088429.db2.gz HNLFWNXWAZLTOE-HZPDHXFCSA-N 1 3 326.485 0.226 20 0 ECADHO NC(=O)c1cccc2c1CCN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000663511994 440088770 /nfs/dbraw/zinc/08/87/70/440088770.db2.gz DMWRCLAOLFOUHY-ZDUSSCGKSA-N 1 3 330.432 0.341 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@@H]3CNCCC3(F)F)C2)C1 ZINC000653183867 440089883 /nfs/dbraw/zinc/08/98/83/440089883.db2.gz KPIFNTGCOHVDNW-MQYQWHSLSA-N 1 3 331.407 0.976 20 0 ECADHO CCN(CC)CC(=O)N[C@]1(C)CCN(C(=O)C[NH+](CC)CC)C1 ZINC000647728372 440129766 /nfs/dbraw/zinc/12/97/66/440129766.db2.gz BIKKZMYUTPJOMV-QGZVFWFLSA-N 1 3 326.485 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@](C)(NC(=O)C[NH+](CC)CC)C1 ZINC000647728372 440129769 /nfs/dbraw/zinc/12/97/69/440129769.db2.gz BIKKZMYUTPJOMV-QGZVFWFLSA-N 1 3 326.485 0.777 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000643394464 440138182 /nfs/dbraw/zinc/13/81/82/440138182.db2.gz LFSWYVPDKZEQBZ-HOCLYGCPSA-N 1 3 336.480 0.435 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000643394464 440138188 /nfs/dbraw/zinc/13/81/88/440138188.db2.gz LFSWYVPDKZEQBZ-HOCLYGCPSA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000643398364 440141000 /nfs/dbraw/zinc/14/10/00/440141000.db2.gz MHZSLKYWUYCJPY-QQFBHYJXSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000643455560 440171785 /nfs/dbraw/zinc/17/17/85/440171785.db2.gz WHIXCEXBRLASTQ-DFQSSKMNSA-N 1 3 346.519 0.941 20 0 ECADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000643455560 440171789 /nfs/dbraw/zinc/17/17/89/440171789.db2.gz WHIXCEXBRLASTQ-DFQSSKMNSA-N 1 3 346.519 0.941 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)CC1(N(C)C)CC1 ZINC000632340802 440176638 /nfs/dbraw/zinc/17/66/38/440176638.db2.gz OIBCWYPIHIVZMZ-UHFFFAOYSA-N 1 3 334.530 0.226 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)CC1(N(C)C)CC1 ZINC000632340802 440176644 /nfs/dbraw/zinc/17/66/44/440176644.db2.gz OIBCWYPIHIVZMZ-UHFFFAOYSA-N 1 3 334.530 0.226 20 0 ECADHO CN(CCCN(C)S(=O)(=O)CC1(N(C)C)CC1)CC[NH+](C)C ZINC000632340802 440176651 /nfs/dbraw/zinc/17/66/51/440176651.db2.gz OIBCWYPIHIVZMZ-UHFFFAOYSA-N 1 3 334.530 0.226 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCCC23CCN(C)CC3)C[C@@H]1C[NH3+] ZINC000643530119 440200416 /nfs/dbraw/zinc/20/04/16/440200416.db2.gz NVACPQQOBXHAKB-CABCVRRESA-N 1 3 336.480 0.517 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000643594588 440218337 /nfs/dbraw/zinc/21/83/37/440218337.db2.gz VLFNDRKYRAYXDO-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659077426 440229229 /nfs/dbraw/zinc/22/92/29/440229229.db2.gz DGPXLQUXJYQFNU-CJNGLKHVSA-N 1 3 348.447 0.742 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000643531900 440202761 /nfs/dbraw/zinc/20/27/61/440202761.db2.gz USBHTXJYPDHQEC-IAGOWNOFSA-N 1 3 344.459 0.527 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531916 440202941 /nfs/dbraw/zinc/20/29/41/440202941.db2.gz WIYWVWXPOCMBAC-SJORKVTESA-N 1 3 344.459 0.540 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627442403 440206790 /nfs/dbraw/zinc/20/67/90/440206790.db2.gz IXAVTAKQHSIAOI-ZFWWWQNUSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nccc(N2CCOCC2)n1 ZINC000664197468 440257518 /nfs/dbraw/zinc/25/75/18/440257518.db2.gz XZDLVYVJNKUKAA-HNNXBMFYSA-N 1 3 336.484 0.997 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nccc(N2CCOCC2)n1 ZINC000664197468 440257522 /nfs/dbraw/zinc/25/75/22/440257522.db2.gz XZDLVYVJNKUKAA-HNNXBMFYSA-N 1 3 336.484 0.997 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000659159306 440264816 /nfs/dbraw/zinc/26/48/16/440264816.db2.gz NIFJYODVHXIFKO-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)CCCN2CCN(C)CC2)C1 ZINC000632567856 440289722 /nfs/dbraw/zinc/28/97/22/440289722.db2.gz PIXNEWBJHZTTCE-OAHLLOKOSA-N 1 3 332.514 0.028 20 0 ECADHO CCC[N@H+]1CC[C@@H](NS(=O)(=O)CCCN2CCN(C)CC2)C1 ZINC000632567856 440289726 /nfs/dbraw/zinc/28/97/26/440289726.db2.gz PIXNEWBJHZTTCE-OAHLLOKOSA-N 1 3 332.514 0.028 20 0 ECADHO CC1(C)CC(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC(C)(C)[NH2+]1 ZINC000659424652 440321751 /nfs/dbraw/zinc/32/17/51/440321751.db2.gz YGGWNPIXMZHPNI-UHFFFAOYSA-N 1 3 336.440 0.749 20 0 ECADHO CN1CCC(n2cc(NC(=O)NC[C@](C)(O)C[NH+](C)C)cn2)CC1 ZINC000637666850 440317983 /nfs/dbraw/zinc/31/79/83/440317983.db2.gz HJPCRGPSEPTICS-INIZCTEOSA-N 1 3 338.456 0.584 20 0 ECADHO CN1CCC(n2cc(NC(=O)NC[C@@](C)(O)C[NH+](C)C)cn2)CC1 ZINC000637666851 440318775 /nfs/dbraw/zinc/31/87/75/440318775.db2.gz HJPCRGPSEPTICS-MRXNPFEDSA-N 1 3 338.456 0.584 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000659525100 440353416 /nfs/dbraw/zinc/35/34/16/440353416.db2.gz WCCMNCGSIYFCOY-KBPBESRZSA-N 1 3 327.473 0.165 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659546765 440360368 /nfs/dbraw/zinc/36/03/68/440360368.db2.gz GNMZXWDYHYEDGJ-NCOADZHNSA-N 1 3 330.432 0.270 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC1CC[NH2+]CC1 ZINC000659561406 440364482 /nfs/dbraw/zinc/36/44/82/440364482.db2.gz KNDRXOMGQIEICP-UHFFFAOYSA-N 1 3 327.473 0.038 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659451349 440328071 /nfs/dbraw/zinc/32/80/71/440328071.db2.gz QKQFZZZXZRHIIL-LBPRGKRZSA-N 1 3 336.440 0.561 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659451349 440328076 /nfs/dbraw/zinc/32/80/76/440328076.db2.gz QKQFZZZXZRHIIL-LBPRGKRZSA-N 1 3 336.440 0.561 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659681214 440416133 /nfs/dbraw/zinc/41/61/33/440416133.db2.gz RAWAVUDHCKCQIK-ZNMIVQPWSA-N 1 3 338.496 0.857 20 0 ECADHO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629466 440382009 /nfs/dbraw/zinc/38/20/09/440382009.db2.gz ULRZOVNOUBLYED-UHFFFAOYSA-N 1 3 344.419 0.354 20 0 ECADHO [NH3+]CCCN(Cc1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629182 440383244 /nfs/dbraw/zinc/38/32/44/440383244.db2.gz PRIWVWJKGIJFBF-UHFFFAOYSA-N 1 3 344.419 0.702 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC1(O)CCOCC1 ZINC000664875441 440385709 /nfs/dbraw/zinc/38/57/09/440385709.db2.gz BOAMMZBWKSEAEZ-HNNXBMFYSA-N 1 3 344.500 0.489 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC1(O)CCOCC1 ZINC000664875441 440385713 /nfs/dbraw/zinc/38/57/13/440385713.db2.gz BOAMMZBWKSEAEZ-HNNXBMFYSA-N 1 3 344.500 0.489 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000659632619 440386550 /nfs/dbraw/zinc/38/65/50/440386550.db2.gz DGFZAXUWIOPIRF-ZDUSSCGKSA-N 1 3 334.424 0.411 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664919664 440390161 /nfs/dbraw/zinc/39/01/61/440390161.db2.gz HSZQMGHXLJCZMS-AWEZNQCLSA-N 1 3 329.489 0.377 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664919664 440390163 /nfs/dbraw/zinc/39/01/63/440390163.db2.gz HSZQMGHXLJCZMS-AWEZNQCLSA-N 1 3 329.489 0.377 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@H]1C[NH3+] ZINC000633020920 440407406 /nfs/dbraw/zinc/40/74/06/440407406.db2.gz AYWPUZZQHULJIZ-CHWSQXEVSA-N 1 3 348.451 0.142 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[NH2+]C)c1ccccc1 ZINC000659674069 440410600 /nfs/dbraw/zinc/41/06/00/440410600.db2.gz KLBTYQUHFKKKDR-GDBMZVCRSA-N 1 3 334.464 0.910 20 0 ECADHO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000649333415 440468629 /nfs/dbraw/zinc/46/86/29/440468629.db2.gz RXPOZQRZHYBHHF-CQSZACIVSA-N 1 3 331.407 0.802 20 0 ECADHO CN(C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000659737400 440472868 /nfs/dbraw/zinc/47/28/68/440472868.db2.gz UFCFCVKIBYEPDG-AWEZNQCLSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000659741123 440479163 /nfs/dbraw/zinc/47/91/63/440479163.db2.gz LTXAYESEZJVRMY-HNNXBMFYSA-N 1 3 338.496 0.810 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000659704308 440438551 /nfs/dbraw/zinc/43/85/51/440438551.db2.gz MGNNUYBBIRQIPE-YQQAZPJKSA-N 1 3 346.475 0.880 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@H](CN)C1 ZINC000659707216 440441249 /nfs/dbraw/zinc/44/12/49/440441249.db2.gz BJYPBJBMKQFDAA-CJNGLKHVSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633103018 440445763 /nfs/dbraw/zinc/44/57/63/440445763.db2.gz MAMJIAMAZNUKDE-KBPBESRZSA-N 1 3 336.461 0.211 20 0 ECADHO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@@H]1CN1CCCC1 ZINC000649309551 440454370 /nfs/dbraw/zinc/45/43/70/440454370.db2.gz WKGGNMYFXGXLDI-LSDHHAIUSA-N 1 3 332.452 0.731 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)cc1 ZINC000649422616 440497496 /nfs/dbraw/zinc/49/74/96/440497496.db2.gz YVXWQADSKCKVKD-UHFFFAOYSA-N 1 3 340.493 0.274 20 0 ECADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@H]3C[NH2+]CCO3)cc21 ZINC000638337937 440514142 /nfs/dbraw/zinc/51/41/42/440514142.db2.gz NJAJILZOCIIZCE-ZDUSSCGKSA-N 1 3 347.419 0.022 20 0 ECADHO COC[C@]1(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CCCCN1 ZINC000638345213 440519143 /nfs/dbraw/zinc/51/91/43/440519143.db2.gz CRNFHLCQFBRATO-RYRKJORJSA-N 1 3 339.480 0.890 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000665760377 440524026 /nfs/dbraw/zinc/52/40/26/440524026.db2.gz HOYJZAIMOXXSMW-ZFWWWQNUSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000665760377 440524033 /nfs/dbraw/zinc/52/40/33/440524033.db2.gz HOYJZAIMOXXSMW-ZFWWWQNUSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]1(O)CCO[C@@H]1C ZINC000665762951 440527461 /nfs/dbraw/zinc/52/74/61/440527461.db2.gz VJLJOEQGUQTKAS-SQWLQELKSA-N 1 3 330.473 0.098 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]1(O)CCO[C@@H]1C ZINC000665762951 440527466 /nfs/dbraw/zinc/52/74/66/440527466.db2.gz VJLJOEQGUQTKAS-SQWLQELKSA-N 1 3 330.473 0.098 20 0 ECADHO NCc1cccc2c1N(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)CCC2 ZINC000638545516 440566711 /nfs/dbraw/zinc/56/67/11/440566711.db2.gz VJSKSGHJOVSOBX-HNNXBMFYSA-N 1 3 330.432 0.683 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000638590715 440576297 /nfs/dbraw/zinc/57/62/97/440576297.db2.gz NZPAYYXXJHQBKK-QGZVFWFLSA-N 1 3 334.464 0.988 20 0 ECADHO NS(=O)(=O)c1ccc(CNCCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000638618215 440583372 /nfs/dbraw/zinc/58/33/72/440583372.db2.gz FLZMTJCLHZSOOX-GFCCVEGCSA-N 1 3 347.506 0.722 20 0 ECADHO NS(=O)(=O)c1ccc(CNCCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000638618215 440583375 /nfs/dbraw/zinc/58/33/75/440583375.db2.gz FLZMTJCLHZSOOX-GFCCVEGCSA-N 1 3 347.506 0.722 20 0 ECADHO CC[NH2+][C@H](C)C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638439408 440540954 /nfs/dbraw/zinc/54/09/54/440540954.db2.gz HYGGWHIJOSAHSG-KGLIPLIRSA-N 1 3 334.468 0.523 20 0 ECADHO [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439104 440541512 /nfs/dbraw/zinc/54/15/12/440541512.db2.gz HBXFRZGIPVBFLF-LSDHHAIUSA-N 1 3 344.463 0.573 20 0 ECADHO [NH3+]CC1(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCOCC1 ZINC000638633770 440592813 /nfs/dbraw/zinc/59/28/13/440592813.db2.gz GQOVPDGVVHARHA-MRXNPFEDSA-N 1 3 332.448 0.918 20 0 ECADHO C[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)C1CC[NH+](C)CC1 ZINC000655576637 440593223 /nfs/dbraw/zinc/59/32/23/440593223.db2.gz ORSRSMUICCNXKS-GDBMZVCRSA-N 1 3 326.485 0.863 20 0 ECADHO NCc1ccc2c(c1)N(C(=O)c1cc([C@@H]3CC[NH2+]C3)[nH]n1)CCO2 ZINC000638806868 440627732 /nfs/dbraw/zinc/62/77/32/440627732.db2.gz YCDFQYSOGKQOSU-GFCCVEGCSA-N 1 3 327.388 0.985 20 0 ECADHO CCN1CCN(CCC(=O)N2CCOc3ccc(C[NH3+])cc32)CC1 ZINC000638806722 440629859 /nfs/dbraw/zinc/62/98/59/440629859.db2.gz VBSBOXLEFUHSPX-UHFFFAOYSA-N 1 3 332.448 0.898 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655926340 440647654 /nfs/dbraw/zinc/64/76/54/440647654.db2.gz CVPACVPEAKPCBQ-JQWIXIFHSA-N 1 3 338.374 0.771 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638928920 440653949 /nfs/dbraw/zinc/65/39/49/440653949.db2.gz CMIYDEIQEZTNCV-AAEUAGOBSA-N 1 3 331.420 0.865 20 0 ECADHO CC1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000656025079 440695016 /nfs/dbraw/zinc/69/50/16/440695016.db2.gz XKXCEAQWQKDGPU-CABCVRRESA-N 1 3 336.480 0.625 20 0 ECADHO C[NH2+]CCOCCN[C@H](C)Cn1cc(Br)ccc1=O ZINC000629531079 440718761 /nfs/dbraw/zinc/71/87/61/440718761.db2.gz ZQMXYPGBQSQCPS-LLVKDONJSA-N 1 3 332.242 0.825 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660741197 440721061 /nfs/dbraw/zinc/72/10/61/440721061.db2.gz YPIAQXVDFXDYFT-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660741197 440721065 /nfs/dbraw/zinc/72/10/65/440721065.db2.gz YPIAQXVDFXDYFT-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO CN1CCN(Cc2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629555467 440728350 /nfs/dbraw/zinc/72/83/50/440728350.db2.gz JSLMVTMFNDQPCE-FQEVSTJZSA-N 1 3 346.519 0.980 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639549953 440740180 /nfs/dbraw/zinc/74/01/80/440740180.db2.gz JMJOKZMYOXWXCG-ZWKOTPCHSA-N 1 3 327.513 0.856 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639549953 440740186 /nfs/dbraw/zinc/74/01/86/440740186.db2.gz JMJOKZMYOXWXCG-ZWKOTPCHSA-N 1 3 327.513 0.856 20 0 ECADHO O[C@@H](C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)CN1CCCC1 ZINC000629612585 440743893 /nfs/dbraw/zinc/74/38/93/440743893.db2.gz FTGPPQSXAVYBOV-ROUUACIJSA-N 1 3 334.464 0.329 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000645456087 440810084 /nfs/dbraw/zinc/81/00/84/440810084.db2.gz IOUHUQWQJRHIME-LSDHHAIUSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000645456087 440810087 /nfs/dbraw/zinc/81/00/87/440810087.db2.gz IOUHUQWQJRHIME-LSDHHAIUSA-N 1 3 339.484 0.480 20 0 ECADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N(CC)CCN)CC1 ZINC000629789450 440761460 /nfs/dbraw/zinc/76/14/60/440761460.db2.gz RVFSEYWUIMKWEH-UHFFFAOYSA-N 1 3 326.485 0.764 20 0 ECADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N(CC)CCN)CC1 ZINC000629789450 440761463 /nfs/dbraw/zinc/76/14/63/440761463.db2.gz RVFSEYWUIMKWEH-UHFFFAOYSA-N 1 3 326.485 0.764 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000629800185 440767344 /nfs/dbraw/zinc/76/73/44/440767344.db2.gz PYVCKNUTMZWHGN-MRXNPFEDSA-N 1 3 332.448 0.527 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656343146 440781034 /nfs/dbraw/zinc/78/10/34/440781034.db2.gz LJTPMUGMXREVEX-QXSJWSMHSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000645334464 440785901 /nfs/dbraw/zinc/78/59/01/440785901.db2.gz BPJZDNUKXSARMI-ZDUSSCGKSA-N 1 3 325.457 0.232 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656359020 440789279 /nfs/dbraw/zinc/78/92/79/440789279.db2.gz WLQRNVLZUSFQQL-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCC2(CC1)CN(C(=O)NCCOCC[NH+](C)C)CCO2 ZINC000645466498 440813380 /nfs/dbraw/zinc/81/33/80/440813380.db2.gz QXQHMZAMZFQBDJ-UHFFFAOYSA-N 1 3 328.457 0.071 20 0 ECADHO O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H]1C[NH2+]CCO1 ZINC000656612209 440826361 /nfs/dbraw/zinc/82/63/61/440826361.db2.gz RXVAPPQZVMFFPD-YJBOKZPZSA-N 1 3 344.415 0.171 20 0 ECADHO CC1(C)C[NH2+][C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000645817414 440926175 /nfs/dbraw/zinc/92/61/75/440926175.db2.gz WPFIKMRQJRCNEG-INIZCTEOSA-N 1 3 331.464 0.708 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC[N@@H+]1C ZINC000630890624 440976146 /nfs/dbraw/zinc/97/61/46/440976146.db2.gz GLMQYBSKHPBIFH-ARFHVFGLSA-N 1 3 336.480 0.657 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC[N@H+]1C ZINC000630890624 440976150 /nfs/dbraw/zinc/97/61/50/440976150.db2.gz GLMQYBSKHPBIFH-ARFHVFGLSA-N 1 3 336.480 0.657 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cc2)CC1 ZINC000646208698 441023521 /nfs/dbraw/zinc/02/35/21/441023521.db2.gz GBNGHAJOHDTNCV-MRXNPFEDSA-N 1 3 334.464 0.481 20 0 ECADHO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249743 440995096 /nfs/dbraw/zinc/99/50/96/440995096.db2.gz ZDALZXOGXFYVBQ-TZMCWYRMSA-N 1 3 339.461 0.848 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCO[C@H]2CC2(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000662266445 440999989 /nfs/dbraw/zinc/99/99/89/440999989.db2.gz ZGJSADRUPKFHTC-IHRRRGAJSA-N 1 3 331.407 0.991 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCO[C@H]2CC2(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000662266447 441000816 /nfs/dbraw/zinc/00/08/16/441000816.db2.gz ZGJSADRUPKFHTC-MJBXVCDLSA-N 1 3 331.407 0.991 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NCc3cn(C[C@@H]4CCOC4)nn3)C2)CC1 ZINC000631070308 441006599 /nfs/dbraw/zinc/00/65/99/441006599.db2.gz UCSPFLVOLMNXOS-HOTGVXAUSA-N 1 3 348.495 0.573 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NCc3cn(C[C@@H]4CCOC4)nn3)C2)CC1 ZINC000631070308 441006603 /nfs/dbraw/zinc/00/66/03/441006603.db2.gz UCSPFLVOLMNXOS-HOTGVXAUSA-N 1 3 348.495 0.573 20 0 ECADHO CC[C@@H](NC(C)=O)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000630880013 440975124 /nfs/dbraw/zinc/97/51/24/440975124.db2.gz PDKWJHHFICMHNJ-HZPDHXFCSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](NC(C)=O)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000630880013 440975128 /nfs/dbraw/zinc/97/51/28/440975128.db2.gz PDKWJHHFICMHNJ-HZPDHXFCSA-N 1 3 326.485 0.776 20 0 ECADHO CC(C)OC[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000662576617 441072720 /nfs/dbraw/zinc/07/27/20/441072720.db2.gz LWVKMDWAQVGSMN-KRWDZBQOSA-N 1 3 348.491 0.848 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662403697 441030021 /nfs/dbraw/zinc/03/00/21/441030021.db2.gz HVTJTEUMEFNBNP-CQSZACIVSA-N 1 3 330.432 0.259 20 0 ECADHO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)CN1CCN(C)CC1 ZINC000631275772 441037198 /nfs/dbraw/zinc/03/71/98/441037198.db2.gz HNDOQHHKFSHTIJ-OAHLLOKOSA-N 1 3 336.484 0.058 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000290116976 320678804 /nfs/dbraw/zinc/67/88/04/320678804.db2.gz YRLSUXSFCOQEAD-OAHLLOKOSA-N 1 3 337.420 0.524 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000339667418 320994869 /nfs/dbraw/zinc/99/48/69/320994869.db2.gz FSJLELPFUNHFBF-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000339920096 321003744 /nfs/dbraw/zinc/00/37/44/321003744.db2.gz BYNUSRJUKQXBOY-HOCLYGCPSA-N 1 3 338.496 0.822 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339932824 321004526 /nfs/dbraw/zinc/00/45/26/321004526.db2.gz WKPGBTRUBAIDLK-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1)C(C)C ZINC000340218132 321023757 /nfs/dbraw/zinc/02/37/57/321023757.db2.gz OESZDBKTWZEULH-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1)C(C)C ZINC000340218132 321023759 /nfs/dbraw/zinc/02/37/59/321023759.db2.gz OESZDBKTWZEULH-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)N(C)C1CC1 ZINC000342062635 321074664 /nfs/dbraw/zinc/07/46/64/321074664.db2.gz DPTYWYNDBMONRD-AWEZNQCLSA-N 1 3 336.480 0.672 20 0 ECADHO COC(=O)CCn1nc(C)c(C[NH2+]CC2(O)CCN(C)CC2)c1C ZINC000344591198 321157654 /nfs/dbraw/zinc/15/76/54/321157654.db2.gz YSDHJKUDRYITQQ-UHFFFAOYSA-N 1 3 338.452 0.609 20 0 ECADHO CCN1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@@H](C)C1 ZINC000345197928 321179028 /nfs/dbraw/zinc/17/90/28/321179028.db2.gz FTQUSYPYEDYGPA-ROUUACIJSA-N 1 3 326.529 0.696 20 0 ECADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H](N)CC(F)F)c1 ZINC000345705330 321197563 /nfs/dbraw/zinc/19/75/63/321197563.db2.gz GAWOJWKEGJNWSR-ZDUSSCGKSA-N 1 3 342.390 0.577 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)C[N@@H+]1C1CC1 ZINC000346114170 321214863 /nfs/dbraw/zinc/21/48/63/321214863.db2.gz UADALBRSKSTTSO-CKEIUWERSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)C[N@H+]1C1CC1 ZINC000346114170 321214864 /nfs/dbraw/zinc/21/48/64/321214864.db2.gz UADALBRSKSTTSO-CKEIUWERSA-N 1 3 348.491 0.861 20 0 ECADHO CCNC(=O)C(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000532999348 322062841 /nfs/dbraw/zinc/06/28/41/322062841.db2.gz SJOHVHQPYHXNLL-UHFFFAOYSA-N 1 3 329.489 0.284 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000533111289 322064249 /nfs/dbraw/zinc/06/42/49/322064249.db2.gz AOERHLNXSUODFE-ROUUACIJSA-N 1 3 335.448 0.052 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000557865359 322211307 /nfs/dbraw/zinc/21/13/07/322211307.db2.gz UODYOIBFZRDDEW-CYBMUJFWSA-N 1 3 348.438 0.490 20 0 ECADHO C[C@@H]1CCC[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000560326561 322233879 /nfs/dbraw/zinc/23/38/79/322233879.db2.gz IDRLXJAEDJNKEM-CVEARBPZSA-N 1 3 340.512 0.881 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000561256549 322257887 /nfs/dbraw/zinc/25/78/87/322257887.db2.gz HVCAMPBSGXZIAL-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cncc(F)c1 ZINC000562507993 322276630 /nfs/dbraw/zinc/27/66/30/322276630.db2.gz DPEFCZPDSPLIQR-UHFFFAOYSA-N 1 3 325.388 0.111 20 0 ECADHO C[C@H](NCC(=O)N1CCNCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000562955969 322289550 /nfs/dbraw/zinc/28/95/50/322289550.db2.gz QQMWBIXXTICTRQ-HNNXBMFYSA-N 1 3 334.464 0.709 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000566572531 322544146 /nfs/dbraw/zinc/54/41/46/322544146.db2.gz FYTBSDNKQYRQPE-HUUCEWRRSA-N 1 3 326.485 0.857 20 0 ECADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+]1CCCCC1 ZINC000567522195 322586636 /nfs/dbraw/zinc/58/66/36/322586636.db2.gz IOVAWOKESPPODT-ILXRZTDVSA-N 1 3 337.468 0.204 20 0 ECADHO COc1cnccc1N1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000573905969 322769827 /nfs/dbraw/zinc/76/98/27/322769827.db2.gz OTDMQLHPFGWRBC-UHFFFAOYSA-N 1 3 331.420 0.842 20 0 ECADHO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NC1CCN(C2CC2)CC1 ZINC000125251118 545764495 /nfs/dbraw/zinc/76/44/95/545764495.db2.gz NBUFYISIPIPPBY-UHFFFAOYSA-N 1 3 343.475 0.947 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621844820 546575165 /nfs/dbraw/zinc/57/51/65/546575165.db2.gz XPVJLDBCILJAMZ-APWZRJJASA-N 1 3 344.459 0.704 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C2 ZINC000622027216 546609067 /nfs/dbraw/zinc/60/90/67/546609067.db2.gz ZCKBBFXBBRPAMM-DAYGRLMNSA-N 1 3 334.464 0.413 20 0 ECADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)CC1(C)C ZINC000623440917 546788643 /nfs/dbraw/zinc/78/86/43/546788643.db2.gz SIEVMPTWBRFFDX-LBPRGKRZSA-N 1 3 330.454 0.556 20 0 ECADHO CN1CC[C@@H]([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1(C)C ZINC000623426020 546788747 /nfs/dbraw/zinc/78/87/47/546788747.db2.gz YKWPOWLCKPGJTN-HZPDHXFCSA-N 1 3 338.496 0.382 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625649612 547188931 /nfs/dbraw/zinc/18/89/31/547188931.db2.gz UPWNDMMJOHSIOJ-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625649612 547188938 /nfs/dbraw/zinc/18/89/38/547188938.db2.gz UPWNDMMJOHSIOJ-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625649612 547188944 /nfs/dbraw/zinc/18/89/44/547188944.db2.gz UPWNDMMJOHSIOJ-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000667514417 547526910 /nfs/dbraw/zinc/52/69/10/547526910.db2.gz SKXKPBLYSWUZKS-UHFFFAOYSA-N 1 3 348.447 0.905 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC(=O)N1C ZINC000667811390 547559449 /nfs/dbraw/zinc/55/94/49/547559449.db2.gz LFDWERSPYSOGGA-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC(=O)N1C ZINC000667811390 547559452 /nfs/dbraw/zinc/55/94/52/547559452.db2.gz LFDWERSPYSOGGA-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H](NC(=O)Nc1cnc(N2CCNCC2)nc1)C1CC[NH+](C)CC1 ZINC000667821318 547560540 /nfs/dbraw/zinc/56/05/40/547560540.db2.gz QRZYXNXDPDIKSO-ZDUSSCGKSA-N 1 3 347.467 0.738 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668498198 547669463 /nfs/dbraw/zinc/66/94/63/547669463.db2.gz HQXRSJRMMKSGBM-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668498198 547669468 /nfs/dbraw/zinc/66/94/68/547669468.db2.gz HQXRSJRMMKSGBM-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000668776305 547746596 /nfs/dbraw/zinc/74/65/96/547746596.db2.gz DNQRSSDZGVVTER-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000668776305 547746601 /nfs/dbraw/zinc/74/66/01/547746601.db2.gz DNQRSSDZGVVTER-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000668891347 547778316 /nfs/dbraw/zinc/77/83/16/547778316.db2.gz BBPLGTBFVKQMDP-XHSDSOJGSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000668891347 547778318 /nfs/dbraw/zinc/77/83/18/547778318.db2.gz BBPLGTBFVKQMDP-XHSDSOJGSA-N 1 3 338.496 0.822 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000669220569 547853837 /nfs/dbraw/zinc/85/38/37/547853837.db2.gz HXXPMXVEDHNGNL-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000669220569 547853840 /nfs/dbraw/zinc/85/38/40/547853840.db2.gz HXXPMXVEDHNGNL-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000669699866 547925065 /nfs/dbraw/zinc/92/50/65/547925065.db2.gz NFSXCTQQVNAGTF-QGZVFWFLSA-N 1 3 325.497 0.925 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C[NH+]1CCCC1 ZINC000671172562 548103634 /nfs/dbraw/zinc/10/36/34/548103634.db2.gz IMSAWQWEDMCDOP-GOEBONIOSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000672013798 548256104 /nfs/dbraw/zinc/25/61/04/548256104.db2.gz NSEVRAPOYIRKIU-KBPBESRZSA-N 1 3 336.480 0.600 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000672695854 548373282 /nfs/dbraw/zinc/37/32/82/548373282.db2.gz JPBPDBBYEGCSOZ-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000674704598 548664069 /nfs/dbraw/zinc/66/40/69/548664069.db2.gz UOQDFKVXFQPRFJ-HUUCEWRRSA-N 1 3 337.512 0.937 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000674704598 548664076 /nfs/dbraw/zinc/66/40/76/548664076.db2.gz UOQDFKVXFQPRFJ-HUUCEWRRSA-N 1 3 337.512 0.937 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2C(=O)CCC2=O)[C@H](C)C1 ZINC000678589451 549038512 /nfs/dbraw/zinc/03/85/12/549038512.db2.gz YKILWPTTWMKNLB-HUUCEWRRSA-N 1 3 325.453 0.862 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCN2C(=O)CCC2=O)[C@H](C)C1 ZINC000678589451 549038516 /nfs/dbraw/zinc/03/85/16/549038516.db2.gz YKILWPTTWMKNLB-HUUCEWRRSA-N 1 3 325.453 0.862 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000685310138 549677422 /nfs/dbraw/zinc/67/74/22/549677422.db2.gz AWVLIARRAGGAKB-BFJAYTPKSA-N 1 3 336.480 0.384 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000685310138 549677425 /nfs/dbraw/zinc/67/74/25/549677425.db2.gz AWVLIARRAGGAKB-BFJAYTPKSA-N 1 3 336.480 0.384 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H]([NH+]3CCCC3)C1)C2=O ZINC000727168414 578156259 /nfs/dbraw/zinc/15/62/59/578156259.db2.gz DFGAGONUXAIENG-CQSZACIVSA-N 1 3 335.452 0.130 20 0 ECADHO COCCN(C)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734276533 578355625 /nfs/dbraw/zinc/35/56/25/578355625.db2.gz NBSROAWOLHKQBN-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736855179 578457567 /nfs/dbraw/zinc/45/75/67/578457567.db2.gz ARELRHZLQJHNPQ-UHFFFAOYSA-N 1 3 329.452 0.984 20 0 ECADHO C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736855179 578457568 /nfs/dbraw/zinc/45/75/68/578457568.db2.gz ARELRHZLQJHNPQ-UHFFFAOYSA-N 1 3 329.452 0.984 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(F)n1 ZINC000793034792 578920437 /nfs/dbraw/zinc/92/04/37/578920437.db2.gz BPIIKXKFRLSQIG-UHFFFAOYSA-N 1 3 325.388 0.111 20 0 ECADHO C[NH+](C)CCOc1ccc(CN2CCC(C(=O)NCCO)CC2)cc1 ZINC000768319714 579124333 /nfs/dbraw/zinc/12/43/33/579124333.db2.gz XCMYWVWDTJKILX-UHFFFAOYSA-N 1 3 349.475 0.948 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]3C[N@H+](C)CC[C@H]31)C2=O ZINC000768499839 579126866 /nfs/dbraw/zinc/12/68/66/579126866.db2.gz MQZLGTGAFFFRQI-HUUCEWRRSA-N 1 3 349.479 0.376 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]3C[N@@H+](C)CC[C@H]31)C2=O ZINC000768499839 579126868 /nfs/dbraw/zinc/12/68/68/579126868.db2.gz MQZLGTGAFFFRQI-HUUCEWRRSA-N 1 3 349.479 0.376 20 0 ECADHO CCN1CCN(CCNC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760468072 579510944 /nfs/dbraw/zinc/51/09/44/579510944.db2.gz OYPSEGNKGQEZFI-UHFFFAOYSA-N 1 3 327.542 0.430 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841059477 588977164 /nfs/dbraw/zinc/97/71/64/588977164.db2.gz RZGNUMBWMJCJFR-AWEZNQCLSA-N 1 3 334.420 0.515 20 0 ECADHO [NH3+]CCOc1cccc(NC(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000841281868 588985751 /nfs/dbraw/zinc/98/57/51/588985751.db2.gz MCRYHLIMVWOXIJ-HNNXBMFYSA-N 1 3 336.436 0.992 20 0 ECADHO C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000841725068 588999017 /nfs/dbraw/zinc/99/90/17/588999017.db2.gz JQXIRTWLPIVQMH-HUUCEWRRSA-N 1 3 339.484 0.357 20 0 ECADHO Cc1cc([C@@H](N)CC(=O)N2CCN(C)C[C@H]2C[NH3+])cc(Cl)n1 ZINC000841848854 589002931 /nfs/dbraw/zinc/00/29/31/589002931.db2.gz YFJNGEDBZAZOTC-OLZOCXBDSA-N 1 3 325.844 0.535 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@H](C)N1CCCCC1)C1CC[NH2+]CC1 ZINC000842016274 589008529 /nfs/dbraw/zinc/00/85/29/589008529.db2.gz TUJOGUVZKRYQGF-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)([NH3+])CNC(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000842187925 589018982 /nfs/dbraw/zinc/01/89/82/589018982.db2.gz CDHAVBKAICVUKN-LJQANCHMSA-N 1 3 346.475 0.868 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000842201234 589020455 /nfs/dbraw/zinc/02/04/55/589020455.db2.gz IEZRSJGBPMMZND-OAHLLOKOSA-N 1 3 334.464 0.189 20 0 ECADHO CCC1([NH3+])CCN(C(=O)NC2CCN(CCN(C)C)CC2)CC1 ZINC000891339915 586163597 /nfs/dbraw/zinc/16/35/97/586163597.db2.gz LATGARRXVKAVRJ-UHFFFAOYSA-N 1 3 325.501 0.925 20 0 ECADHO CN(C)[C@]1(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000891641689 586184340 /nfs/dbraw/zinc/18/43/40/586184340.db2.gz PVXLJYDXDMQWBX-AAEUAGOBSA-N 1 3 336.452 0.968 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891673279 586187823 /nfs/dbraw/zinc/18/78/23/586187823.db2.gz JFTBMHSBACHAAH-VNQPRFMTSA-N 1 3 336.480 0.927 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000891891244 586203612 /nfs/dbraw/zinc/20/36/12/586203612.db2.gz NSUVLXYFRGHAGF-IKGGRYGDSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000891891244 586203614 /nfs/dbraw/zinc/20/36/14/586203614.db2.gz NSUVLXYFRGHAGF-IKGGRYGDSA-N 1 3 338.496 0.959 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892036136 586217333 /nfs/dbraw/zinc/21/73/33/586217333.db2.gz JBFNYQQTKFFRBV-UHFFFAOYSA-N 1 3 325.501 0.925 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000892157765 586225086 /nfs/dbraw/zinc/22/50/86/586225086.db2.gz WCCQQXQMYNHSKD-CQSZACIVSA-N 1 3 348.438 0.983 20 0 ECADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)CCN1c1nccn2cnnc12 ZINC000892213406 586235192 /nfs/dbraw/zinc/23/51/92/586235192.db2.gz XXCKNFGFWPRSNI-CQSZACIVSA-N 1 3 329.452 0.977 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892360899 586258124 /nfs/dbraw/zinc/25/81/24/586258124.db2.gz SBHURAWTZZXIMX-HRCADAONSA-N 1 3 326.485 0.957 20 0 ECADHO CC[N@H+](CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C(C)C ZINC000892669893 586281358 /nfs/dbraw/zinc/28/13/58/586281358.db2.gz MQMKDNPAFMOTLJ-JKSUJKDBSA-N 1 3 326.485 0.957 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C(C)C ZINC000892669893 586281361 /nfs/dbraw/zinc/28/13/61/586281361.db2.gz MQMKDNPAFMOTLJ-JKSUJKDBSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](C)C1)CN1CCN(C)CC1 ZINC000893239239 586319071 /nfs/dbraw/zinc/31/90/71/586319071.db2.gz ZASAKFUTHQRGKK-JKSUJKDBSA-N 1 3 325.501 0.511 20 0 ECADHO C[C@H](CNC(=O)NCC[N@H+]1CC[C@H](C)C1)CN1CCN(C)CC1 ZINC000893239239 586319073 /nfs/dbraw/zinc/31/90/73/586319073.db2.gz ZASAKFUTHQRGKK-JKSUJKDBSA-N 1 3 325.501 0.511 20 0 ECADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000897469984 586327503 /nfs/dbraw/zinc/32/75/03/586327503.db2.gz VGFYSQNSRBZQBL-INIZCTEOSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000897469984 586327506 /nfs/dbraw/zinc/32/75/06/586327506.db2.gz VGFYSQNSRBZQBL-INIZCTEOSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000897473080 586328512 /nfs/dbraw/zinc/32/85/12/586328512.db2.gz VKOAXKJUBSQTIP-ZIAGYGMSSA-N 1 3 325.457 0.090 20 0 ECADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000897473080 586328515 /nfs/dbraw/zinc/32/85/15/586328515.db2.gz VKOAXKJUBSQTIP-ZIAGYGMSSA-N 1 3 325.457 0.090 20 0 ECADHO CN1CCN(CCNC(=O)C2C[NH+](C3CCOCC3)C2)CC1(C)C ZINC000897663826 586356681 /nfs/dbraw/zinc/35/66/81/586356681.db2.gz NMLCBQGFYGACNG-UHFFFAOYSA-N 1 3 338.496 0.239 20 0 ECADHO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000898356241 586417825 /nfs/dbraw/zinc/41/78/25/586417825.db2.gz MHCHHJXHCFKSBD-HOCLYGCPSA-N 1 3 325.453 0.900 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)C1CN(C2CCOCC2)C1 ZINC000898668845 586441990 /nfs/dbraw/zinc/44/19/90/586441990.db2.gz LONPDTKQRGTJLQ-UHFFFAOYSA-N 1 3 326.485 0.097 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC12CCOCC2 ZINC000898795334 586451128 /nfs/dbraw/zinc/45/11/28/586451128.db2.gz LDTRNTOQKISDJJ-OAHLLOKOSA-N 1 3 342.484 0.459 20 0 ECADHO CN(C)CCN(Cc1ccccn1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900614065 586648241 /nfs/dbraw/zinc/64/82/41/586648241.db2.gz HTESNFAWRIRTDV-GOSISDBHSA-N 1 3 334.464 0.819 20 0 ECADHO CN(C)CCN(Cc1ccccn1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900614065 586648243 /nfs/dbraw/zinc/64/82/43/586648243.db2.gz HTESNFAWRIRTDV-GOSISDBHSA-N 1 3 334.464 0.819 20 0 ECADHO CN1CCC(C[NH2+][C@@H]2CCO[C@]23CCOC3)(N2CCOCC2)CC1 ZINC000903186597 586770946 /nfs/dbraw/zinc/77/09/46/586770946.db2.gz SAZDYNAPZMXUDV-AEFFLSMTSA-N 1 3 339.480 0.321 20 0 ECADHO CN1CCC(C[NH2+][C@H]2CCO[C@]23CCOC3)(N2CCOCC2)CC1 ZINC000903186600 586771126 /nfs/dbraw/zinc/77/11/26/586771126.db2.gz SAZDYNAPZMXUDV-WMZOPIPTSA-N 1 3 339.480 0.321 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NCc1ccccc1C)C2 ZINC000903492692 586779696 /nfs/dbraw/zinc/77/96/96/586779696.db2.gz QCZHSGCHVDSJQU-FCEWJHQRSA-N 1 3 345.443 0.824 20 0 ECADHO CN(C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)S(C)(=O)=O ZINC000903725541 586802373 /nfs/dbraw/zinc/80/23/73/586802373.db2.gz CNTIZEOCVGMTHE-HNNXBMFYSA-N 1 3 345.509 0.501 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903736761 586805994 /nfs/dbraw/zinc/80/59/94/586805994.db2.gz MICWRPMJLLKHGW-AEFFLSMTSA-N 1 3 338.496 0.241 20 0 ECADHO COC(=O)c1cn(C2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903761081 586808354 /nfs/dbraw/zinc/80/83/54/586808354.db2.gz ZOCIDWKJNWCROA-YOEHRIQHSA-N 1 3 349.435 0.470 20 0 ECADHO CNS(=O)(=O)C[C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903774872 586813561 /nfs/dbraw/zinc/81/35/61/586813561.db2.gz AUGQROBDWFTGQX-KFWWJZLASA-N 1 3 331.482 0.016 20 0 ECADHO O=C(N1CCOCC1)C1(NC[C@@H]2CC3(C[NH2+]C3)CO2)CCCCC1 ZINC000903829760 586818515 /nfs/dbraw/zinc/81/85/15/586818515.db2.gz JQIHZFATHDRLKO-HNNXBMFYSA-N 1 3 337.464 0.516 20 0 ECADHO COCCOCCOCCCN1CC[NH2+]CCC12CCOCC2 ZINC000903818335 586819682 /nfs/dbraw/zinc/81/96/82/586819682.db2.gz HGBVCQDYLYLRBG-UHFFFAOYSA-N 1 3 330.469 0.901 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](CN3CCCC3=O)C2)cnn1C ZINC000903933819 586826858 /nfs/dbraw/zinc/82/68/58/586826858.db2.gz WDWBGHPYNVKKSJ-HZPDHXFCSA-N 1 3 333.480 0.790 20 0 ECADHO COc1ccc(CN2CC[C@@H](NC3CCN(CC[NH3+])CC3)C2=O)cc1 ZINC000904366153 586836399 /nfs/dbraw/zinc/83/63/99/586836399.db2.gz GCUFCXLHIIVNKW-GOSISDBHSA-N 1 3 346.475 0.809 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)C1 ZINC000904948361 586848047 /nfs/dbraw/zinc/84/80/47/586848047.db2.gz CPVFDFZZBFNVKN-OAHLLOKOSA-N 1 3 338.496 0.763 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@]32CN)CC1 ZINC000904971895 586851478 /nfs/dbraw/zinc/85/14/78/586851478.db2.gz KHDZELYMNXVRES-KDOFPFPSSA-N 1 3 336.480 0.705 20 0 ECADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[C@@H](N3CCCCC3)C1)C2 ZINC000904999541 586856970 /nfs/dbraw/zinc/85/69/70/586856970.db2.gz PVQLEQZFRGRGMK-JONQDZQNSA-N 1 3 334.464 0.411 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H]2CC[C@]21CN ZINC000905005782 586858866 /nfs/dbraw/zinc/85/88/66/586858866.db2.gz GFNYGFPCAJVHHT-MPGHIAIKSA-N 1 3 336.480 0.659 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H]2CC[C@]21CN ZINC000905005782 586858867 /nfs/dbraw/zinc/85/88/67/586858867.db2.gz GFNYGFPCAJVHHT-MPGHIAIKSA-N 1 3 336.480 0.659 20 0 ECADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@]43CN)C2)CC1 ZINC000905008594 586859416 /nfs/dbraw/zinc/85/94/16/586859416.db2.gz NYSXADYHBVBUDW-GPMSIDNRSA-N 1 3 348.491 0.517 20 0 ECADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)CC3(O)CCCC3)C2)CC1 ZINC000905110515 586871007 /nfs/dbraw/zinc/87/10/07/586871007.db2.gz QRUIRVMKCSAMMV-NVXWUHKLSA-N 1 3 325.497 0.801 20 0 ECADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCC(N2CCCOCC2)CC1 ZINC000905358510 586885972 /nfs/dbraw/zinc/88/59/72/586885972.db2.gz HFEYAIQCKDCLLD-UHFFFAOYSA-N 1 3 345.509 0.503 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000817766373 587383069 /nfs/dbraw/zinc/38/30/69/587383069.db2.gz FVUCFERNWCWHEP-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000817766373 587383071 /nfs/dbraw/zinc/38/30/71/587383071.db2.gz FVUCFERNWCWHEP-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000817926241 587392334 /nfs/dbraw/zinc/39/23/34/587392334.db2.gz BPARDUGYLAALRK-UHFFFAOYSA-N 1 3 346.475 0.569 20 0 ECADHO C[C@@H](NCCN1CC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817943988 587392988 /nfs/dbraw/zinc/39/29/88/587392988.db2.gz UPTIGPFRKYDMQL-MJGOQNOKSA-N 1 3 332.492 0.771 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(CN(C)C)cc2)C1 ZINC000817953193 587393179 /nfs/dbraw/zinc/39/31/79/587393179.db2.gz OFERORISDZHJEW-INIZCTEOSA-N 1 3 332.448 0.527 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844192058 589102058 /nfs/dbraw/zinc/10/20/58/589102058.db2.gz GCYZYGHQWNMLSD-JKSUJKDBSA-N 1 3 326.485 0.145 20 0 ECADHO Cc1noc(C2CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2)n1 ZINC000820080426 587507943 /nfs/dbraw/zinc/50/79/43/587507943.db2.gz ADQZXUKHWDWLKI-LBPRGKRZSA-N 1 3 338.456 0.759 20 0 ECADHO Cc1noc(C2CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2)n1 ZINC000820080426 587507944 /nfs/dbraw/zinc/50/79/44/587507944.db2.gz ADQZXUKHWDWLKI-LBPRGKRZSA-N 1 3 338.456 0.759 20 0 ECADHO CN1CCC(NC(=O)C(F)(F)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000821230420 587578824 /nfs/dbraw/zinc/57/88/24/587578824.db2.gz PXLWZZYRTMLSAU-UHFFFAOYSA-N 1 3 332.395 0.043 20 0 ECADHO C[NH+](C)C1CCN(CC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821583297 587602479 /nfs/dbraw/zinc/60/24/79/587602479.db2.gz PSIFXQQXKKUBBU-UHFFFAOYSA-N 1 3 329.452 0.982 20 0 ECADHO C[NH+](C)C1CCN(CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821583297 587602481 /nfs/dbraw/zinc/60/24/81/587602481.db2.gz PSIFXQQXKKUBBU-UHFFFAOYSA-N 1 3 329.452 0.982 20 0 ECADHO CC(C)[C@@H](CO)ONC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000824271935 587864841 /nfs/dbraw/zinc/86/48/41/587864841.db2.gz OBCUFRATHAWFPY-MRXNPFEDSA-N 1 3 342.484 0.793 20 0 ECADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825860718 587967198 /nfs/dbraw/zinc/96/71/98/587967198.db2.gz VCRCBEYWKXRZPY-UHFFFAOYSA-N 1 3 348.455 0.540 20 0 ECADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825860718 587967200 /nfs/dbraw/zinc/96/72/00/587967200.db2.gz VCRCBEYWKXRZPY-UHFFFAOYSA-N 1 3 348.455 0.540 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000827936571 588147862 /nfs/dbraw/zinc/14/78/62/588147862.db2.gz PAFDLMFYVJLXOL-ARFHVFGLSA-N 1 3 333.436 0.401 20 0 ECADHO [NH3+]Cc1cccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000828640171 588195386 /nfs/dbraw/zinc/19/53/86/588195386.db2.gz NHWAEJZHIWYKRI-UHFFFAOYSA-N 1 3 330.432 0.526 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)N[C@@H]3CNCCC3(F)F)C2)C1 ZINC000846178827 589190373 /nfs/dbraw/zinc/19/03/73/589190373.db2.gz XLCUWKODTILQEJ-RFQIPJPRSA-N 1 3 346.422 0.912 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000846362787 589198568 /nfs/dbraw/zinc/19/85/68/589198568.db2.gz LTTRAKLACWTVOT-UHFFFAOYSA-N 1 3 336.480 0.533 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](F)C(=O)OC)CC2)CC1 ZINC000848219165 589283488 /nfs/dbraw/zinc/28/34/88/589283488.db2.gz DCUHHPIUKBTAES-HNNXBMFYSA-N 1 3 343.443 0.810 20 0 ECADHO [NH2+]=C(NCC1(O)CCN(Cc2ccccc2)CC1)N1CCOCC1 ZINC000849117565 589320852 /nfs/dbraw/zinc/32/08/52/589320852.db2.gz LMJDNGLIAGOYCT-UHFFFAOYSA-N 1 3 332.448 0.870 20 0 ECADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCNc2cc[nH+]cc2)cn1 ZINC000849611227 589343281 /nfs/dbraw/zinc/34/32/81/589343281.db2.gz VGUQHRSXNZNCQY-IAGOWNOFSA-N 1 3 342.447 0.501 20 0 ECADHO NC[C@H]1CC(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)=NO1 ZINC000852796705 589512522 /nfs/dbraw/zinc/51/25/22/589512522.db2.gz STVMPIJRWQQNCO-ZIAGYGMSSA-N 1 3 346.387 0.638 20 0 ECADHO [NH3+]C[C@@H]1CC(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)=NO1 ZINC000852859448 589518781 /nfs/dbraw/zinc/51/87/81/589518781.db2.gz TVDQRFYBYFUVFO-HNNXBMFYSA-N 1 3 332.404 0.685 20 0 ECADHO CN(C)CCOc1ccc(-c2noc(-c3cn(CC[NH3+])nn3)n2)cc1 ZINC000854137399 589572588 /nfs/dbraw/zinc/57/25/88/589572588.db2.gz URBJVFUSDNCZOL-UHFFFAOYSA-N 1 3 343.391 0.894 20 0 ECADHO CN1CCN(CC2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC000854644799 589597852 /nfs/dbraw/zinc/59/78/52/589597852.db2.gz STXGFHLZAWPMKD-SFHVURJKSA-N 1 3 340.487 0.905 20 0 ECADHO CN1CCN(CC2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC1 ZINC000854644799 589597854 /nfs/dbraw/zinc/59/78/54/589597854.db2.gz STXGFHLZAWPMKD-SFHVURJKSA-N 1 3 340.487 0.905 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCC12OCCO2 ZINC000855347171 589627782 /nfs/dbraw/zinc/62/77/82/589627782.db2.gz WZGRQUFNXIETIF-LSDHHAIUSA-N 1 3 327.469 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCC12OCCO2 ZINC000855347171 589627784 /nfs/dbraw/zinc/62/77/84/589627784.db2.gz WZGRQUFNXIETIF-LSDHHAIUSA-N 1 3 327.469 0.918 20 0 ECADHO NC(=O)c1ccc(CCN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712260 589762295 /nfs/dbraw/zinc/76/22/95/589762295.db2.gz RZIAJEFWCIHYNE-OAGGEKHMSA-N 1 3 344.415 0.195 20 0 ECADHO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H](N2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000859086775 589798391 /nfs/dbraw/zinc/79/83/91/589798391.db2.gz ZCSWFPNJIDKSHV-WBOJAVRRSA-N 1 3 325.453 0.898 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C1 ZINC000868165940 589877477 /nfs/dbraw/zinc/87/74/77/589877477.db2.gz IIPIIVPGMLHOQI-VHSXEESVSA-N 1 3 326.363 0.411 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000861767664 589889979 /nfs/dbraw/zinc/88/99/79/589889979.db2.gz PXPALJRDMQHPRH-OAHLLOKOSA-N 1 3 338.496 0.955 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)CC[C@@H]21 ZINC000868310185 589891276 /nfs/dbraw/zinc/89/12/76/589891276.db2.gz RYJRUHOQDNIRAR-PBHICJAKSA-N 1 3 342.443 0.823 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)CC[C@@H]21 ZINC000868310185 589891277 /nfs/dbraw/zinc/89/12/77/589891277.db2.gz RYJRUHOQDNIRAR-PBHICJAKSA-N 1 3 342.443 0.823 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000868783620 589926918 /nfs/dbraw/zinc/92/69/18/589926918.db2.gz JGYFPGPGEYWLIF-MRXNPFEDSA-N 1 3 337.512 0.892 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000868783620 589926920 /nfs/dbraw/zinc/92/69/20/589926920.db2.gz JGYFPGPGEYWLIF-MRXNPFEDSA-N 1 3 337.512 0.892 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CCCCCC[NH3+])CC1 ZINC000872188216 590100874 /nfs/dbraw/zinc/10/08/74/590100874.db2.gz RLFRGZHJPSWEFB-UHFFFAOYSA-N 1 3 326.485 0.907 20 0 ECADHO C[N@H+](C[C@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C1CC1 ZINC000872225516 590106190 /nfs/dbraw/zinc/10/61/90/590106190.db2.gz KNXWZMCIQWCJSA-QLFBSQMISA-N 1 3 343.468 0.401 20 0 ECADHO C[N@@H+](C[C@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C1CC1 ZINC000872225516 590106191 /nfs/dbraw/zinc/10/61/91/590106191.db2.gz KNXWZMCIQWCJSA-QLFBSQMISA-N 1 3 343.468 0.401 20 0 ECADHO CCO[C@H]1COCC[C@H]1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000865178275 590129895 /nfs/dbraw/zinc/12/98/95/590129895.db2.gz SFAHXLSVYWMZDA-HOTGVXAUSA-N 1 3 329.485 0.770 20 0 ECADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000873262049 590187563 /nfs/dbraw/zinc/18/75/63/590187563.db2.gz ISCQLGQUWQKGTB-UHOFOFEASA-N 1 3 341.477 0.479 20 0 ECADHO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1 ZINC000873262049 590187564 /nfs/dbraw/zinc/18/75/64/590187564.db2.gz ISCQLGQUWQKGTB-UHOFOFEASA-N 1 3 341.477 0.479 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)N1CCCCC1 ZINC000875106659 590271855 /nfs/dbraw/zinc/27/18/55/590271855.db2.gz IGRVPXPPWJQOLU-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)N1CCCCC1 ZINC000875106659 590271856 /nfs/dbraw/zinc/27/18/56/590271856.db2.gz IGRVPXPPWJQOLU-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875384152 590298039 /nfs/dbraw/zinc/29/80/39/590298039.db2.gz RANOWQCVWBNLNE-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@@H](C[S@](C)=O)NC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000875486684 590305316 /nfs/dbraw/zinc/30/53/16/590305316.db2.gz YDHNJQLZOPHBAI-OTSWZTIHSA-N 1 3 332.514 0.134 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000880254488 590379257 /nfs/dbraw/zinc/37/92/57/590379257.db2.gz ZIGPEKIEFQLFTH-MRXNPFEDSA-N 1 3 340.512 0.493 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000880254488 590379260 /nfs/dbraw/zinc/37/92/60/590379260.db2.gz ZIGPEKIEFQLFTH-MRXNPFEDSA-N 1 3 340.512 0.493 20 0 ECADHO COc1ccc([C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)N2CCCC2)cc1 ZINC000876710608 590401325 /nfs/dbraw/zinc/40/13/25/590401325.db2.gz MILLXZMXRZQOCI-DLBZAZTESA-N 1 3 334.464 0.837 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876759175 590410257 /nfs/dbraw/zinc/41/02/57/590410257.db2.gz NXZDOORXRNBZMI-NFAHFFEMSA-N 1 3 336.480 0.601 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876759173 590410495 /nfs/dbraw/zinc/41/04/95/590410495.db2.gz NXZDOORXRNBZMI-IYKSTZQJSA-N 1 3 336.480 0.601 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876881399 590422043 /nfs/dbraw/zinc/42/20/43/590422043.db2.gz YALDDPSJSZWMAD-RYUDHWBXSA-N 1 3 333.379 0.218 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)c2)nn1 ZINC000877206725 590444973 /nfs/dbraw/zinc/44/49/73/590444973.db2.gz NXZRMYWRTBVOGG-DOMZBBRYSA-N 1 3 332.383 0.290 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3CCC[NH2+]CC3)c2)nn1 ZINC000877207539 590445273 /nfs/dbraw/zinc/44/52/73/590445273.db2.gz ZZVBKSWMNQZARW-CQSZACIVSA-N 1 3 328.420 0.732 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)C[C@@H]3CSCC[NH2+]3)c2)nn1 ZINC000877206846 590445291 /nfs/dbraw/zinc/44/52/91/590445291.db2.gz NBZHYEQMUMKKMU-CYBMUJFWSA-N 1 3 346.460 0.437 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1=O ZINC000877280242 590452982 /nfs/dbraw/zinc/45/29/82/590452982.db2.gz BRVMXKVSIIDULE-WCXIOVBPSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCN1c1cc[nH+]cc1 ZINC000881632939 590461980 /nfs/dbraw/zinc/46/19/80/590461980.db2.gz RCLSBGOZBZOLBT-WBVHZDCISA-N 1 3 329.448 0.509 20 0 ECADHO C[NH+]1CCC(NC(=O)CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000878868763 590548350 /nfs/dbraw/zinc/54/83/50/590548350.db2.gz VVLXGQAWFAZYHX-WBVHZDCISA-N 1 3 339.480 0.497 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000884911643 590647818 /nfs/dbraw/zinc/64/78/18/590647818.db2.gz QJGBHHQKBXUGNM-SHTZXODSSA-N 1 3 345.447 0.364 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCN1C ZINC000884969075 590657698 /nfs/dbraw/zinc/65/76/98/590657698.db2.gz YVVLSHXZLJNMAQ-RBSFLKMASA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885275773 590701892 /nfs/dbraw/zinc/70/18/92/590701892.db2.gz IEKQZFJRJCQNSD-QWHCGFSZSA-N 1 3 346.422 0.289 20 0 ECADHO C[NH2+][C@@H](CC(C)C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000884218090 590779506 /nfs/dbraw/zinc/77/95/06/590779506.db2.gz FCPYOSNCASTBCH-HNNXBMFYSA-N 1 3 326.485 0.679 20 0 ECADHO COCC[C@@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000884233897 590785035 /nfs/dbraw/zinc/78/50/35/590785035.db2.gz CAHYNDROWXLIQQ-QZTJIDSGSA-N 1 3 348.491 0.845 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000884502128 590844621 /nfs/dbraw/zinc/84/46/21/590844621.db2.gz BMDFZOCDDXNVNS-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)CCC1 ZINC000884529280 590851364 /nfs/dbraw/zinc/85/13/64/590851364.db2.gz KORDUFSORZGAPT-INIZCTEOSA-N 1 3 344.459 0.418 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)C1CC1 ZINC000884601431 590867939 /nfs/dbraw/zinc/86/79/39/590867939.db2.gz LMXYIQOSKNVNOC-MRXNPFEDSA-N 1 3 344.459 0.418 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)C1CC1 ZINC000884601431 590867942 /nfs/dbraw/zinc/86/79/42/590867942.db2.gz LMXYIQOSKNVNOC-MRXNPFEDSA-N 1 3 344.459 0.418 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1=CCN(C)CC1 ZINC000884623789 590874757 /nfs/dbraw/zinc/87/47/57/590874757.db2.gz OPZDOETVYLBOPY-UGQVUOCMSA-N 1 3 334.464 0.400 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)C1=CCN(C)CC1 ZINC000884624149 590875573 /nfs/dbraw/zinc/87/55/73/590875573.db2.gz ZMGHQJNROKYYPD-HIFRSBDPSA-N 1 3 336.480 0.647 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000884724593 590911615 /nfs/dbraw/zinc/91/16/15/590911615.db2.gz XUTRJSLBTZSWNO-KFWWJZLASA-N 1 3 345.447 0.362 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000884776297 590920282 /nfs/dbraw/zinc/92/02/82/590920282.db2.gz QVPSUIRFGJPECV-YHUYYLMFSA-N 1 3 336.480 0.753 20 0 ECADHO COC(=O)CN(C)C(=O)CCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132850 590946777 /nfs/dbraw/zinc/94/67/77/590946777.db2.gz OQPLJKMKAIQIFU-AWEZNQCLSA-N 1 3 334.420 0.614 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)NCC[N@H+](C)CCO)c2)CC1 ZINC000887987736 591026735 /nfs/dbraw/zinc/02/67/35/591026735.db2.gz VUKAKSXCXHSRIH-UHFFFAOYSA-N 1 3 349.479 0.874 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)NCC[N@@H+](C)CCO)c2)CC1 ZINC000887987736 591026740 /nfs/dbraw/zinc/02/67/40/591026740.db2.gz VUKAKSXCXHSRIH-UHFFFAOYSA-N 1 3 349.479 0.874 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591506 611357650 /nfs/dbraw/zinc/35/76/50/611357650.db2.gz WQSCNITUAVEYRK-VVLHAWIVSA-N 1 3 348.491 0.517 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591506 611357651 /nfs/dbraw/zinc/35/76/51/611357651.db2.gz WQSCNITUAVEYRK-VVLHAWIVSA-N 1 3 348.491 0.517 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924697204 611423832 /nfs/dbraw/zinc/42/38/32/611423832.db2.gz PZDPQFUERRPRBG-KBMXLJTQSA-N 1 3 330.432 0.989 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924697204 611423833 /nfs/dbraw/zinc/42/38/33/611423833.db2.gz PZDPQFUERRPRBG-KBMXLJTQSA-N 1 3 330.432 0.989 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779232 611472470 /nfs/dbraw/zinc/47/24/70/611472470.db2.gz KRIWUCGLWLUDJG-FPCVCCKLSA-N 1 3 336.480 0.372 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779232 611472472 /nfs/dbraw/zinc/47/24/72/611472472.db2.gz KRIWUCGLWLUDJG-FPCVCCKLSA-N 1 3 336.480 0.372 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(CN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925569697 611488029 /nfs/dbraw/zinc/48/80/29/611488029.db2.gz RTLURZGDYNSFSK-SFHVURJKSA-N 1 3 346.475 0.590 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926335128 611536903 /nfs/dbraw/zinc/53/69/03/611536903.db2.gz QDWZZFCJQRINPT-CRAIPNDOSA-N 1 3 336.480 0.674 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926362058 611541804 /nfs/dbraw/zinc/54/18/04/611541804.db2.gz UECFJJAWXKTFJA-JTDSTZFVSA-N 1 3 348.491 0.816 20 0 ECADHO CCO[C@H](CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C[NH+](C)C ZINC000932463117 611630011 /nfs/dbraw/zinc/63/00/11/611630011.db2.gz AIQXQFCWKUYHCH-CQSZACIVSA-N 1 3 342.484 0.012 20 0 ECADHO COC(=O)CCNC(=O)CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925717496 608626798 /nfs/dbraw/zinc/62/67/98/608626798.db2.gz KKWAJXLHWLFKJY-LSDHHAIUSA-N 1 3 325.453 0.814 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000928104586 608677023 /nfs/dbraw/zinc/67/70/23/608677023.db2.gz PCXUFZCHYOXNKN-KFWWJZLASA-N 1 3 327.494 0.651 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928104586 608677024 /nfs/dbraw/zinc/67/70/24/608677024.db2.gz PCXUFZCHYOXNKN-KFWWJZLASA-N 1 3 327.494 0.651 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928104586 608677027 /nfs/dbraw/zinc/67/70/27/608677027.db2.gz PCXUFZCHYOXNKN-KFWWJZLASA-N 1 3 327.494 0.651 20 0 ECADHO O=C(C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)N1CC[C@@H](N2CCCC2)C1 ZINC000926326927 608795324 /nfs/dbraw/zinc/79/53/24/608795324.db2.gz QJCXCKJRQCVHDW-QAPCUYQASA-N 1 3 334.464 0.428 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCn1cncn1 ZINC000947497352 608815263 /nfs/dbraw/zinc/81/52/63/608815263.db2.gz HVXYEUJVCJHHGY-CVEARBPZSA-N 1 3 346.479 0.876 20 0 ECADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948631842 611672622 /nfs/dbraw/zinc/67/26/22/611672622.db2.gz QYYADPMSMXHUDN-GARNVTTQSA-N 1 3 337.464 0.155 20 0 ECADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948631842 611672624 /nfs/dbraw/zinc/67/26/24/611672624.db2.gz QYYADPMSMXHUDN-GARNVTTQSA-N 1 3 337.464 0.155 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936282188 609051987 /nfs/dbraw/zinc/05/19/87/609051987.db2.gz ALSGQBIRYZQGTM-HUUCEWRRSA-N 1 3 347.463 0.647 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936282188 609051991 /nfs/dbraw/zinc/05/19/91/609051991.db2.gz ALSGQBIRYZQGTM-HUUCEWRRSA-N 1 3 347.463 0.647 20 0 ECADHO CN(CC(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000938195048 609520964 /nfs/dbraw/zinc/52/09/64/609520964.db2.gz IKXPHCMJGIYUDN-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000938318289 609732002 /nfs/dbraw/zinc/73/20/02/609732002.db2.gz CPZJXLZRJGWRPP-HLLBOEOZSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000938318289 609732003 /nfs/dbraw/zinc/73/20/03/609732003.db2.gz CPZJXLZRJGWRPP-HLLBOEOZSA-N 1 3 338.496 0.632 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000910737713 609754411 /nfs/dbraw/zinc/75/44/11/609754411.db2.gz WBJHCKADAKKVNA-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@@H]1C[NH3+] ZINC000910958753 609783023 /nfs/dbraw/zinc/78/30/23/609783023.db2.gz PAVZIKQLNPCOOC-HUUCEWRRSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N(C)Cc1ccccc1 ZINC000911006670 609793655 /nfs/dbraw/zinc/79/36/55/609793655.db2.gz GWDOMUDCLQOCHM-IIAWOOMASA-N 1 3 332.448 0.347 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911029756 609796448 /nfs/dbraw/zinc/79/64/48/609796448.db2.gz PFTZURAMBNIKSI-LVQVYYBASA-N 1 3 338.496 0.666 20 0 ECADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000911161525 609817887 /nfs/dbraw/zinc/81/78/87/609817887.db2.gz LLABRBODJQTCHB-CZIWCDLHSA-N 1 3 344.459 0.405 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CCSC1 ZINC000911201619 609823870 /nfs/dbraw/zinc/82/38/70/609823870.db2.gz XKSFHSMJSPASSP-BBRMVZONSA-N 1 3 342.509 0.188 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@H+](C)C1CC1 ZINC000911207545 609825200 /nfs/dbraw/zinc/82/52/00/609825200.db2.gz VGQUUQNPMWDJFC-HFBAOOFYSA-N 1 3 330.432 0.326 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@@H+](C)C1CC1 ZINC000911207545 609825201 /nfs/dbraw/zinc/82/52/01/609825201.db2.gz VGQUUQNPMWDJFC-HFBAOOFYSA-N 1 3 330.432 0.326 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000911206408 609825370 /nfs/dbraw/zinc/82/53/70/609825370.db2.gz DWVYIUMTGMWRCV-DAYGRLMNSA-N 1 3 336.480 0.707 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911206411 609825373 /nfs/dbraw/zinc/82/53/73/609825373.db2.gz DWVYIUMTGMWRCV-RKVPGOIHSA-N 1 3 336.480 0.707 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)N1CCN(C)CC1 ZINC000913997848 609842153 /nfs/dbraw/zinc/84/21/53/609842153.db2.gz ALAOAPIUDSTAMQ-PMPSAXMXSA-N 1 3 325.501 0.650 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)N1CCN(C)CC1 ZINC000913997848 609842154 /nfs/dbraw/zinc/84/21/54/609842154.db2.gz ALAOAPIUDSTAMQ-PMPSAXMXSA-N 1 3 325.501 0.650 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911325338 609848243 /nfs/dbraw/zinc/84/82/43/609848243.db2.gz RCEZCXHFWXKCSQ-RKVPGOIHSA-N 1 3 334.464 0.474 20 0 ECADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938544277 609849127 /nfs/dbraw/zinc/84/91/27/609849127.db2.gz NZOKPCVRWVTTFO-IAGOWNOFSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911334137 609850227 /nfs/dbraw/zinc/85/02/27/609850227.db2.gz XJDXVKFUJLBNET-OWCLPIDISA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000911378549 609860756 /nfs/dbraw/zinc/86/07/56/609860756.db2.gz SGIXAZQTMLKWQK-CABCVRRESA-N 1 3 336.480 0.435 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])C1 ZINC000911532468 609886378 /nfs/dbraw/zinc/88/63/78/609886378.db2.gz LVEVLLMGCLWSMG-KSSFIOAISA-N 1 3 336.480 0.564 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911516511 609889359 /nfs/dbraw/zinc/88/93/59/609889359.db2.gz LJQCJPXUTIZAJA-HZPDHXFCSA-N 1 3 344.459 0.670 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517549 609890089 /nfs/dbraw/zinc/89/00/89/609890089.db2.gz VTUAJOAPEMHYHR-HZPDHXFCSA-N 1 3 332.448 0.528 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517617 609890232 /nfs/dbraw/zinc/89/02/32/609890232.db2.gz WTMRJSYOPQEELT-WBQNTZJQSA-N 1 3 344.459 0.526 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517617 609890234 /nfs/dbraw/zinc/89/02/34/609890234.db2.gz WTMRJSYOPQEELT-WBQNTZJQSA-N 1 3 344.459 0.526 20 0 ECADHO CCN1CCN(CCCNC(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000915127469 609905623 /nfs/dbraw/zinc/90/56/23/609905623.db2.gz WQQPUSRISLIIJL-MRXNPFEDSA-N 1 3 341.569 0.962 20 0 ECADHO CCN1CCN(CCCNC(=S)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000915127469 609905625 /nfs/dbraw/zinc/90/56/25/609905625.db2.gz WQQPUSRISLIIJL-MRXNPFEDSA-N 1 3 341.569 0.962 20 0 ECADHO CN1CCNC[C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000911735083 609908416 /nfs/dbraw/zinc/90/84/16/609908416.db2.gz DRVDYSPDEFDOEU-INIZCTEOSA-N 1 3 346.431 0.438 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000919636542 610052137 /nfs/dbraw/zinc/05/21/37/610052137.db2.gz YDMREGAGGDYHQM-GOEBONIOSA-N 1 3 340.468 0.260 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000919636542 610052140 /nfs/dbraw/zinc/05/21/40/610052140.db2.gz YDMREGAGGDYHQM-GOEBONIOSA-N 1 3 340.468 0.260 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)C(=O)CN2CCCC2)C1 ZINC000939696375 610088817 /nfs/dbraw/zinc/08/88/17/610088817.db2.gz VFNBFKFHCPUBLH-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)C(=O)CN2CCCC2)C1 ZINC000939696375 610088820 /nfs/dbraw/zinc/08/88/20/610088820.db2.gz VFNBFKFHCPUBLH-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC000939543835 610232547 /nfs/dbraw/zinc/23/25/47/610232547.db2.gz GEKBQZXRMLQLHQ-TZMCWYRMSA-N 1 3 344.463 0.714 20 0 ECADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CC(=O)N2CCC2)CC1(C)C ZINC000940620787 610313155 /nfs/dbraw/zinc/31/31/55/610313155.db2.gz KYWIZFKOZNPIDR-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CC(=O)N2CCC2)CC1(C)C ZINC000940620787 610313157 /nfs/dbraw/zinc/31/31/57/610313157.db2.gz KYWIZFKOZNPIDR-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(CC(=O)N(C)C)CC[C@@H]1NC(=O)c1ccn2cncc2c1 ZINC000942289904 610381757 /nfs/dbraw/zinc/38/17/57/610381757.db2.gz YNBUPAISXZGTEG-CJNGLKHVSA-N 1 3 343.431 0.863 20 0 ECADHO C[C@@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1ccn2cncc2c1 ZINC000942289904 610381759 /nfs/dbraw/zinc/38/17/59/610381759.db2.gz YNBUPAISXZGTEG-CJNGLKHVSA-N 1 3 343.431 0.863 20 0 ECADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1ccn2cncc2c1 ZINC000942289904 610381761 /nfs/dbraw/zinc/38/17/61/610381761.db2.gz YNBUPAISXZGTEG-CJNGLKHVSA-N 1 3 343.431 0.863 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941638895 610423852 /nfs/dbraw/zinc/42/38/52/610423852.db2.gz IVAHZNCJZQODFF-QGZVFWFLSA-N 1 3 334.508 0.957 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941638895 610423855 /nfs/dbraw/zinc/42/38/55/610423855.db2.gz IVAHZNCJZQODFF-QGZVFWFLSA-N 1 3 334.508 0.957 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)[NH+](C)C ZINC000942432353 610457136 /nfs/dbraw/zinc/45/71/36/610457136.db2.gz QUNQQOXHUKTUBO-ZMSDIMECSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000941305330 610657497 /nfs/dbraw/zinc/65/74/97/610657497.db2.gz KJVJEOMRPYOOLD-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCCN2C)CC[N@@H+]1C ZINC000944184957 610774380 /nfs/dbraw/zinc/77/43/80/610774380.db2.gz OPNALSZZYBRILP-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCCN2C)CC[N@H+]1C ZINC000944184957 610774382 /nfs/dbraw/zinc/77/43/82/610774382.db2.gz OPNALSZZYBRILP-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000943341939 610809943 /nfs/dbraw/zinc/80/99/43/610809943.db2.gz QPSGNMCGDQHKAT-OAHLLOKOSA-N 1 3 347.463 0.791 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H](O)COc1ccccc1 ZINC000923345032 611232225 /nfs/dbraw/zinc/23/22/25/611232225.db2.gz JYEICCUKIQYWPI-HOTGVXAUSA-N 1 3 335.448 0.746 20 0 ECADHO COC(=O)[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]([C@@H]2CCCO2)C1 ZINC000923556334 611262332 /nfs/dbraw/zinc/26/23/32/611262332.db2.gz WELBWFZOYRGLJQ-QXSJWSMHSA-N 1 3 338.448 0.940 20 0 ECADHO 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/nfs/dbraw/zinc/75/18/52/611751852.db2.gz HTSFUMGWXATFFU-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCOC3(CC[NH+](CCCO)CC3)C2)C1 ZINC000949188889 611894146 /nfs/dbraw/zinc/89/41/46/611894146.db2.gz DOAIMAZOJBGOHJ-INIZCTEOSA-N 1 3 339.480 0.404 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949189520 611894315 /nfs/dbraw/zinc/89/43/15/611894315.db2.gz XUZFPTDYPZZGAE-OAHLLOKOSA-N 1 3 325.453 0.156 20 0 ECADHO C[C@@H](O)C[NH+]1CCC2(CC1)CN(C(=O)CN1CCC[C@H]1C)CCO2 ZINC000949189106 611894628 /nfs/dbraw/zinc/89/46/28/611894628.db2.gz HQCJGMIWGJIMMV-HZPDHXFCSA-N 1 3 339.480 0.545 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC000950824591 611927005 /nfs/dbraw/zinc/92/70/05/611927005.db2.gz NUQVDOBJZPIVKM-HOTGVXAUSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000955340183 612461080 /nfs/dbraw/zinc/46/10/80/612461080.db2.gz NQVVUQJBJCBTIS-AWEZNQCLSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000955340183 612461083 /nfs/dbraw/zinc/46/10/83/612461083.db2.gz NQVVUQJBJCBTIS-AWEZNQCLSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000955345114 612473465 /nfs/dbraw/zinc/47/34/65/612473465.db2.gz RPVZQDMECYLLDY-OAHLLOKOSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC000955346031 612474447 /nfs/dbraw/zinc/47/44/47/612474447.db2.gz IMVWOLYCQDDDKD-CJNGLKHVSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC000955346031 612474450 /nfs/dbraw/zinc/47/44/50/612474450.db2.gz IMVWOLYCQDDDKD-CJNGLKHVSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCCN2C)CC[N@@H+]1C ZINC000951736013 612532236 /nfs/dbraw/zinc/53/22/36/612532236.db2.gz NPSPUJLHCNJVIU-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCCN2C)CC[N@H+]1C ZINC000951736013 612532239 /nfs/dbraw/zinc/53/22/39/612532239.db2.gz NPSPUJLHCNJVIU-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC000954825420 612717972 /nfs/dbraw/zinc/71/79/72/612717972.db2.gz XDEYVMWXHLABDN-MRXNPFEDSA-N 1 3 348.491 0.624 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000956252002 612801794 /nfs/dbraw/zinc/80/17/94/612801794.db2.gz CZYWXOAQBSACKB-HOTGVXAUSA-N 1 3 345.447 0.401 20 0 ECADHO CN(C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954286794 612823794 /nfs/dbraw/zinc/82/37/94/612823794.db2.gz VNXPSQRLPJFQSO-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954286794 612823798 /nfs/dbraw/zinc/82/37/98/612823798.db2.gz VNXPSQRLPJFQSO-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000954973675 612830137 /nfs/dbraw/zinc/83/01/37/612830137.db2.gz XBLVKKZDBLZYGE-AWEZNQCLSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000954973675 612830139 /nfs/dbraw/zinc/83/01/39/612830139.db2.gz XBLVKKZDBLZYGE-AWEZNQCLSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000954323318 612853338 /nfs/dbraw/zinc/85/33/38/612853338.db2.gz ANIIHBDGCQQNMK-UHFFFAOYSA-N 1 3 334.464 0.380 20 0 ECADHO Cn1cc(CN2CC[C@@H]3CN(c4cc(C[NH3+])ncn4)C[C@H]3C2)cn1 ZINC001164773940 721106832 /nfs/dbraw/zinc/10/68/32/721106832.db2.gz ZIQZCWPOKPCMLT-HUUCEWRRSA-N 1 3 327.436 0.627 20 0 ECADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001024984162 738460489 /nfs/dbraw/zinc/46/04/89/738460489.db2.gz DQQFVESXSTZKPN-GDBMZVCRSA-N 1 3 334.468 0.626 20 0 ECADHO CN1CC[C@H](NC[C@H]2CCCCN2C(=O)C23CCC[NH+]2CCC3)C1=O ZINC001025011070 738490743 /nfs/dbraw/zinc/49/07/43/738490743.db2.gz SWPMAZGOHUMYNJ-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO Cn1cc(CC[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cn1 ZINC000969964103 732568786 /nfs/dbraw/zinc/56/87/86/732568786.db2.gz CBBZNERKONNEON-MRXNPFEDSA-N 1 3 333.480 0.885 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)n1 ZINC000969964098 732568884 /nfs/dbraw/zinc/56/88/84/732568884.db2.gz BZSAQEOJOBYDDN-MRXNPFEDSA-N 1 3 348.495 0.817 20 0 ECADHO CC(C)CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100428071 733026772 /nfs/dbraw/zinc/02/67/72/733026772.db2.gz WOWWXBBGPKZTBA-DQPZFDDXSA-N 1 3 340.512 0.829 20 0 ECADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1)C(=O)N(C)C ZINC001167232423 733076451 /nfs/dbraw/zinc/07/64/51/733076451.db2.gz CAVWNKRWJDRXPW-LSDHHAIUSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)N(C)C2CC2)CC1)N(C)C ZINC001167251641 733095709 /nfs/dbraw/zinc/09/57/09/733095709.db2.gz YKQQHMPJBZMAAE-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO Cn1cncc1CN[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000970356941 733407086 /nfs/dbraw/zinc/40/70/86/733407086.db2.gz KIKWQRGQOSTSGH-CQSZACIVSA-N 1 3 335.452 0.221 20 0 ECADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C[C@@H](O)Cn2cccn2)C1 ZINC000970371923 733434633 /nfs/dbraw/zinc/43/46/33/733434633.db2.gz ICSKMPKMFDTTST-RHSMWYFYSA-N 1 3 349.479 0.022 20 0 ECADHO C[C@H]1CCCN(C(=O)CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000970490494 733609771 /nfs/dbraw/zinc/60/97/71/733609771.db2.gz RLTNAEAHZHOEIH-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC3CCC(F)(F)CC3)C[C@H]2O)C1 ZINC001078174196 782426737 /nfs/dbraw/zinc/42/67/37/782426737.db2.gz DMHHJDJNFCBXJY-RBSFLKMASA-N 1 3 345.434 0.925 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC3CCC(F)(F)CC3)C[C@H]2O)C1 ZINC001078174196 782426742 /nfs/dbraw/zinc/42/67/42/782426742.db2.gz DMHHJDJNFCBXJY-RBSFLKMASA-N 1 3 345.434 0.925 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104362909 734722390 /nfs/dbraw/zinc/72/23/90/734722390.db2.gz PEBIEJBQJQEQPX-HZPDHXFCSA-N 1 3 343.512 0.800 20 0 ECADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)C[C@H]2CCc3ncnn32)C1)C1CCC1 ZINC000971688658 734949349 /nfs/dbraw/zinc/94/93/49/734949349.db2.gz ZLSFGJSOZNABLV-HZPDHXFCSA-N 1 3 346.479 0.782 20 0 ECADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H]2CCc3ncnn32)C1)C1CCC1 ZINC000971688658 734949351 /nfs/dbraw/zinc/94/93/51/734949351.db2.gz ZLSFGJSOZNABLV-HZPDHXFCSA-N 1 3 346.479 0.782 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC000971685990 734951453 /nfs/dbraw/zinc/95/14/53/734951453.db2.gz PZZPYFHBXHMCJO-SJORKVTESA-N 1 3 348.495 0.768 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC000971685990 734951456 /nfs/dbraw/zinc/95/14/56/734951456.db2.gz PZZPYFHBXHMCJO-SJORKVTESA-N 1 3 348.495 0.768 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC000971800076 735078517 /nfs/dbraw/zinc/07/85/17/735078517.db2.gz HURSJVQIZJOQNI-SJORKVTESA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC000971800076 735078518 /nfs/dbraw/zinc/07/85/18/735078518.db2.gz HURSJVQIZJOQNI-SJORKVTESA-N 1 3 348.495 0.912 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccn(C)c(=O)c3)C2)C1 ZINC000972334473 735960390 /nfs/dbraw/zinc/96/03/90/735960390.db2.gz HAKHMTOWWQNDEQ-DOTOQJQBSA-N 1 3 346.475 0.760 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccn(C)c(=O)c3)C2)C1 ZINC000972334473 735960392 /nfs/dbraw/zinc/96/03/92/735960392.db2.gz HAKHMTOWWQNDEQ-DOTOQJQBSA-N 1 3 346.475 0.760 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000972355039 735998974 /nfs/dbraw/zinc/99/89/74/735998974.db2.gz RDSXZSGRUVOBOR-HOTGVXAUSA-N 1 3 334.464 0.758 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000972355039 735998978 /nfs/dbraw/zinc/99/89/78/735998978.db2.gz RDSXZSGRUVOBOR-HOTGVXAUSA-N 1 3 334.464 0.758 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001167627032 736152448 /nfs/dbraw/zinc/15/24/48/736152448.db2.gz JAIHSRYEFGTWNV-JKSUJKDBSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001167636704 736189450 /nfs/dbraw/zinc/18/94/50/736189450.db2.gz YQLFPKRRDGKOLD-HUUCEWRRSA-N 1 3 326.485 0.822 20 0 ECADHO COCCC[N@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572764 736291780 /nfs/dbraw/zinc/29/17/80/736291780.db2.gz ZSKFKIMYQNXIBV-UHFFFAOYSA-N 1 3 329.485 0.648 20 0 ECADHO COCCC[N@@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572764 736291782 /nfs/dbraw/zinc/29/17/82/736291782.db2.gz ZSKFKIMYQNXIBV-UHFFFAOYSA-N 1 3 329.485 0.648 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981439 736357406 /nfs/dbraw/zinc/35/74/06/736357406.db2.gz PCHKBGFMNDDXGD-OKILXGFUSA-N 1 3 332.452 0.439 20 0 ECADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001023126513 736521922 /nfs/dbraw/zinc/52/19/22/736521922.db2.gz ZFQPEHKFDZTNCD-XHSDSOJGSA-N 1 3 332.448 0.863 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001023131034 736526397 /nfs/dbraw/zinc/52/63/97/736526397.db2.gz UKKUBPSMCZHWOP-FZKCQIBNSA-N 1 3 346.479 0.877 20 0 ECADHO O=C(NC[C@@H]1CCCN([C@@H]2CCCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001023465475 736871556 /nfs/dbraw/zinc/87/15/56/736871556.db2.gz SYNGXVUMMAGMQH-JKSUJKDBSA-N 1 3 348.491 0.722 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001023559909 737011017 /nfs/dbraw/zinc/01/10/17/737011017.db2.gz GUEGHJIZJYCOQG-DZGCQCFKSA-N 1 3 348.447 0.672 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001023559909 737011021 /nfs/dbraw/zinc/01/10/21/737011021.db2.gz GUEGHJIZJYCOQG-DZGCQCFKSA-N 1 3 348.447 0.672 20 0 ECADHO CN(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001067463282 737317094 /nfs/dbraw/zinc/31/70/94/737317094.db2.gz XNHCFRNDCFQVBY-HZPDHXFCSA-N 1 3 338.496 0.585 20 0 ECADHO CN(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001067463282 737317099 /nfs/dbraw/zinc/31/70/99/737317099.db2.gz XNHCFRNDCFQVBY-HZPDHXFCSA-N 1 3 338.496 0.585 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001023762120 737326613 /nfs/dbraw/zinc/32/66/13/737326613.db2.gz ROIRGFQVAZYCRW-IAGOWNOFSA-N 1 3 348.495 0.981 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001023762120 737326618 /nfs/dbraw/zinc/32/66/18/737326618.db2.gz ROIRGFQVAZYCRW-IAGOWNOFSA-N 1 3 348.495 0.981 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001023986121 737583015 /nfs/dbraw/zinc/58/30/15/737583015.db2.gz CKQGCBAXPDKTDC-PBHICJAKSA-N 1 3 346.479 0.485 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC001024267156 737863315 /nfs/dbraw/zinc/86/33/15/737863315.db2.gz YKQOPXNWKPUJGZ-HNNXBMFYSA-N 1 3 347.463 0.909 20 0 ECADHO COCCN1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561819 738107819 /nfs/dbraw/zinc/10/78/19/738107819.db2.gz ZBBOTXMUOVJUKF-BNQMIIOLSA-N 1 3 337.464 0.467 20 0 ECADHO COCCN1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561819 738107822 /nfs/dbraw/zinc/10/78/22/738107822.db2.gz ZBBOTXMUOVJUKF-BNQMIIOLSA-N 1 3 337.464 0.467 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000973312762 739090066 /nfs/dbraw/zinc/09/00/66/739090066.db2.gz YJFNHGCNZMOKGA-QSPRXWTASA-N 1 3 348.491 0.433 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025809071 739976564 /nfs/dbraw/zinc/97/65/64/739976564.db2.gz YVOXHPYITHRSRN-ALYAQQCSSA-N 1 3 348.491 0.528 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025809071 739976566 /nfs/dbraw/zinc/97/65/66/739976566.db2.gz YVOXHPYITHRSRN-ALYAQQCSSA-N 1 3 348.491 0.528 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001059856012 751542795 /nfs/dbraw/zinc/54/27/95/751542795.db2.gz FXWXDGOFVZDFIJ-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2)C1CCC1 ZINC001111778548 740522579 /nfs/dbraw/zinc/52/25/79/740522579.db2.gz DDNISSFLBRAWEU-YEWWUXTCSA-N 1 3 334.464 0.330 20 0 ECADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2)C1CCC1 ZINC001111778548 740522582 /nfs/dbraw/zinc/52/25/82/740522582.db2.gz DDNISSFLBRAWEU-YEWWUXTCSA-N 1 3 334.464 0.330 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104938545 740980336 /nfs/dbraw/zinc/98/03/36/740980336.db2.gz VDMCNBMPTUYTAN-HZPDHXFCSA-N 1 3 329.485 0.411 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000974224609 741134765 /nfs/dbraw/zinc/13/47/65/741134765.db2.gz YRUMHVFAUVAVJQ-OWCLPIDISA-N 1 3 348.491 0.720 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000974275490 741217457 /nfs/dbraw/zinc/21/74/57/741217457.db2.gz RQAFAGRUKOKFRI-CWRNSKLLSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(N1C[C@@H]2CC[C@H](NCc3cnns3)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001026400026 741238143 /nfs/dbraw/zinc/23/81/43/741238143.db2.gz CBYKCWKDNZWHGX-CFVMTHIKSA-N 1 3 347.488 0.961 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001105064594 741273578 /nfs/dbraw/zinc/27/35/78/741273578.db2.gz YQPJTFNXNITKHU-HZPDHXFCSA-N 1 3 329.485 0.410 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259949 741583134 /nfs/dbraw/zinc/58/31/34/741583134.db2.gz TZNPXQSKIVMURU-INIZCTEOSA-N 1 3 334.468 0.891 20 0 ECADHO C[NH+](C)CC1(C(=O)N2CC(n3cc(CNCC4CC4)nn3)C2)CC1 ZINC001105314168 741734659 /nfs/dbraw/zinc/73/46/59/741734659.db2.gz NIQAUCQZLZYNIJ-UHFFFAOYSA-N 1 3 332.452 0.503 20 0 ECADHO COc1ncc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)n1 ZINC001026734777 741741088 /nfs/dbraw/zinc/74/10/88/741741088.db2.gz SZUBUNYMCRFYBC-ZBFHGGJFSA-N 1 3 347.463 0.826 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001026916970 742094000 /nfs/dbraw/zinc/09/40/00/742094000.db2.gz UGNSQGAPBKQLER-HZPDHXFCSA-N 1 3 334.464 0.664 20 0 ECADHO CCc1nnc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1C ZINC001027063971 742432630 /nfs/dbraw/zinc/43/26/30/742432630.db2.gz WOTOFCCXMKROJI-GJZGRUSLSA-N 1 3 348.495 0.800 20 0 ECADHO CCc1nnc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1C ZINC001027063971 742432631 /nfs/dbraw/zinc/43/26/31/742432631.db2.gz WOTOFCCXMKROJI-GJZGRUSLSA-N 1 3 348.495 0.800 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027064920 742434718 /nfs/dbraw/zinc/43/47/18/742434718.db2.gz MWXFWJKUJMCWGA-GJZGRUSLSA-N 1 3 334.468 0.578 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC001020509565 751730907 /nfs/dbraw/zinc/73/09/07/751730907.db2.gz YHRIUKJQXMPLKE-SDADXPQNSA-N 1 3 347.463 0.952 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001020509565 751730915 /nfs/dbraw/zinc/73/09/15/751730915.db2.gz YHRIUKJQXMPLKE-SDADXPQNSA-N 1 3 347.463 0.952 20 0 ECADHO NC(=O)c1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001027091015 742524177 /nfs/dbraw/zinc/52/41/77/742524177.db2.gz BXZMUYWBWINMKN-CQSZACIVSA-N 1 3 341.415 0.689 20 0 ECADHO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC001027091834 742526282 /nfs/dbraw/zinc/52/62/82/742526282.db2.gz VQUKZLNWKDVHGL-AWEZNQCLSA-N 1 3 329.404 0.289 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001027091828 742526345 /nfs/dbraw/zinc/52/63/45/742526345.db2.gz VPEZGPFDUSAXOH-BBRMVZONSA-N 1 3 345.447 0.544 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001027105807 742574474 /nfs/dbraw/zinc/57/44/74/742574474.db2.gz SDJYBNMLYGTVKL-MRXNPFEDSA-N 1 3 348.495 0.968 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001027170952 742991607 /nfs/dbraw/zinc/99/16/07/742991607.db2.gz RMYIRHOJNOMSMJ-UONOGXRCSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027170952 742991614 /nfs/dbraw/zinc/99/16/14/742991614.db2.gz RMYIRHOJNOMSMJ-UONOGXRCSA-N 1 3 336.436 0.963 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)n1 ZINC000996995855 743106995 /nfs/dbraw/zinc/10/69/95/743106995.db2.gz RYYUKJOSKSQKQE-AWEZNQCLSA-N 1 3 348.495 0.960 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC000996998492 743109893 /nfs/dbraw/zinc/10/98/93/743109893.db2.gz KAYUEAGROBJGEI-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCCN(C)C3=O)CC2)C1 ZINC000997005720 743119179 /nfs/dbraw/zinc/11/91/79/743119179.db2.gz JJBVVTTUZMLZOU-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CC(=O)N2CCC([NH2+][C@H]3CCCNC3=O)CC2)CC1 ZINC000997115303 743252189 /nfs/dbraw/zinc/25/21/89/743252189.db2.gz LSHVZBBZRVSKDY-INIZCTEOSA-N 1 3 336.480 0.578 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300465 743463543 /nfs/dbraw/zinc/46/35/43/743463543.db2.gz VLOXUUUTXYXBQM-CYBMUJFWSA-N 1 3 333.436 0.518 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300465 743463548 /nfs/dbraw/zinc/46/35/48/743463548.db2.gz VLOXUUUTXYXBQM-CYBMUJFWSA-N 1 3 333.436 0.518 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)c1 ZINC000997359603 743532011 /nfs/dbraw/zinc/53/20/11/743532011.db2.gz IGIHEBTWZZWVIA-QGZVFWFLSA-N 1 3 344.459 0.831 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000997372199 743545568 /nfs/dbraw/zinc/54/55/68/743545568.db2.gz DSBSZSWPQHKATD-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000997372199 743545576 /nfs/dbraw/zinc/54/55/76/743545576.db2.gz DSBSZSWPQHKATD-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CC1 ZINC000997393814 743565746 /nfs/dbraw/zinc/56/57/46/743565746.db2.gz QNDNKSDNRHVHBW-OAHLLOKOSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001020587358 751848063 /nfs/dbraw/zinc/84/80/63/751848063.db2.gz BTVSCKNPLRFEOR-NEULZYRMSA-N 1 3 342.459 0.700 20 0 ECADHO CCn1nncc1C[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000998082007 743967019 /nfs/dbraw/zinc/96/70/19/743967019.db2.gz NALYRYDBCVOALY-OAHLLOKOSA-N 1 3 348.495 0.968 20 0 ECADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000976596775 744122004 /nfs/dbraw/zinc/12/20/04/744122004.db2.gz VWGKNUQXPGZOAI-ODICJLLRSA-N 1 3 336.480 0.240 20 0 ECADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000976596775 744122007 /nfs/dbraw/zinc/12/20/07/744122007.db2.gz VWGKNUQXPGZOAI-ODICJLLRSA-N 1 3 336.480 0.240 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976666951 744200363 /nfs/dbraw/zinc/20/03/63/744200363.db2.gz NXPJTNCLAXSLGI-UIBIWLFHSA-N 1 3 348.491 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976666951 744200371 /nfs/dbraw/zinc/20/03/71/744200371.db2.gz NXPJTNCLAXSLGI-UIBIWLFHSA-N 1 3 348.491 0.530 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000998864833 744377483 /nfs/dbraw/zinc/37/74/83/744377483.db2.gz CFQUYLPWZJOSSB-ZBCRRDGASA-N 1 3 334.468 0.769 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000998864833 744377488 /nfs/dbraw/zinc/37/74/88/744377488.db2.gz CFQUYLPWZJOSSB-ZBCRRDGASA-N 1 3 334.468 0.769 20 0 ECADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n[nH]1 ZINC000999173637 744548560 /nfs/dbraw/zinc/54/85/60/744548560.db2.gz KYCRVXRDDINQPQ-GJZGRUSLSA-N 1 3 332.452 0.536 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1)C1CC1 ZINC000999370999 744661996 /nfs/dbraw/zinc/66/19/96/744661996.db2.gz MIORAXYGEINGNI-NVXWUHKLSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CC[C@@H](N[C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC000999481148 744717265 /nfs/dbraw/zinc/71/72/65/744717265.db2.gz BRNLAMXBCVWYRB-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC000977195908 744747260 /nfs/dbraw/zinc/74/72/60/744747260.db2.gz JCUIBOCUDAJTDY-CNGORYIKSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@H](O)CN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977300606 744845937 /nfs/dbraw/zinc/84/59/37/744845937.db2.gz FTEONDLMELCMRF-DZGCQCFKSA-N 1 3 337.468 0.266 20 0 ECADHO COc1ccc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000999836963 744932528 /nfs/dbraw/zinc/93/25/28/744932528.db2.gz MPEGPBWOIFGVBB-LRVUVFPRSA-N 1 3 333.436 0.516 20 0 ECADHO COc1ccc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000999836963 744932531 /nfs/dbraw/zinc/93/25/31/744932531.db2.gz MPEGPBWOIFGVBB-LRVUVFPRSA-N 1 3 333.436 0.516 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999853155 744946801 /nfs/dbraw/zinc/94/68/01/744946801.db2.gz RZXLTWDMJRNJQJ-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000999906107 745043883 /nfs/dbraw/zinc/04/38/83/745043883.db2.gz RRQVJHKUFBBXNM-AWEZNQCLSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000999906107 745043887 /nfs/dbraw/zinc/04/38/87/745043887.db2.gz RRQVJHKUFBBXNM-AWEZNQCLSA-N 1 3 336.480 0.387 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001000107852 745270087 /nfs/dbraw/zinc/27/00/87/745270087.db2.gz XGRUJJLYFKLTRL-GDBMZVCRSA-N 1 3 336.484 0.965 20 0 ECADHO C[C@@H](N[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1)C(N)=O ZINC001000200061 745338950 /nfs/dbraw/zinc/33/89/50/745338950.db2.gz OOFNEQACLKGZNZ-RHSMWYFYSA-N 1 3 346.475 0.859 20 0 ECADHO CC[C@H](C(N)=O)N1CCC(C2(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001000319057 745424316 /nfs/dbraw/zinc/42/43/16/745424316.db2.gz PQCUNHIZLKAKJY-OAHLLOKOSA-N 1 3 348.491 0.707 20 0 ECADHO CN1CC[C@H](N2CCC(C3(NC(=O)[C@H]4CC[N@H+](C)C4)CC3)CC2)C1=O ZINC001000334608 745435491 /nfs/dbraw/zinc/43/54/91/745435491.db2.gz ZRNQNAAYYCKKKF-HOCLYGCPSA-N 1 3 348.491 0.530 20 0 ECADHO CN1CC[C@H](N2CCC(C3(NC(=O)[C@H]4CC[N@@H+](C)C4)CC3)CC2)C1=O ZINC001000334608 745435493 /nfs/dbraw/zinc/43/54/93/745435493.db2.gz ZRNQNAAYYCKKKF-HOCLYGCPSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)[C@@H]1CCCN1C)C(=O)C1CC[NH+](C)CC1 ZINC000977928067 745682296 /nfs/dbraw/zinc/68/22/96/745682296.db2.gz RFUAOLYHXBGIMB-HOTGVXAUSA-N 1 3 336.480 0.482 20 0 ECADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001000776828 745759114 /nfs/dbraw/zinc/75/91/14/745759114.db2.gz LOFLEDRSJFNSNW-KRWDZBQOSA-N 1 3 337.464 0.370 20 0 ECADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001000776828 745759119 /nfs/dbraw/zinc/75/91/19/745759119.db2.gz LOFLEDRSJFNSNW-KRWDZBQOSA-N 1 3 337.464 0.370 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H](NCc3cncs3)C2)cn1 ZINC001020722034 752031222 /nfs/dbraw/zinc/03/12/22/752031222.db2.gz VLLDTASDVACXBO-HDJSIYSDSA-N 1 3 348.476 0.952 20 0 ECADHO c1cc(-c2noc([C@@H]3C[NH2+]C[C@H]4CCO[C@@H]43)n2)nc2c1CNCC2 ZINC001211932173 752037915 /nfs/dbraw/zinc/03/79/15/752037915.db2.gz SLZYSADVVXREDP-JMSVASOKSA-N 1 3 327.388 0.869 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000917636 745898056 /nfs/dbraw/zinc/89/80/56/745898056.db2.gz LRPRMIOYLWGACI-GJZGRUSLSA-N 1 3 334.468 0.639 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000917636 745898062 /nfs/dbraw/zinc/89/80/62/745898062.db2.gz LRPRMIOYLWGACI-GJZGRUSLSA-N 1 3 334.468 0.639 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001001007458 745972532 /nfs/dbraw/zinc/97/25/32/745972532.db2.gz KPJVFJSPWHSDPQ-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001059352409 746189230 /nfs/dbraw/zinc/18/92/30/746189230.db2.gz VMZOCLXPKKSCME-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105361143 752084236 /nfs/dbraw/zinc/08/42/36/752084236.db2.gz RRWRUANZHUNWQZ-HNNXBMFYSA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105361143 752084239 /nfs/dbraw/zinc/08/42/39/752084239.db2.gz RRWRUANZHUNWQZ-HNNXBMFYSA-N 1 3 346.479 0.893 20 0 ECADHO CNC(=O)C[NH+]1CCC(CNC(=O)c2ccn3cncc3c2)CC1 ZINC001001595909 746523672 /nfs/dbraw/zinc/52/36/72/746523672.db2.gz SPBYWMAVRJZKBC-UHFFFAOYSA-N 1 3 329.404 0.522 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001001998260 746875700 /nfs/dbraw/zinc/87/57/00/746875700.db2.gz LMFGEHSLWNRDDQ-HNNXBMFYSA-N 1 3 336.480 0.245 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001001998260 746875709 /nfs/dbraw/zinc/87/57/09/746875709.db2.gz LMFGEHSLWNRDDQ-HNNXBMFYSA-N 1 3 336.480 0.245 20 0 ECADHO Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cn1 ZINC000978967196 746967919 /nfs/dbraw/zinc/96/79/19/746967919.db2.gz YLTYQUMKAVBJMT-PHZGNYQRSA-N 1 3 329.448 0.310 20 0 ECADHO C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000979324049 747611896 /nfs/dbraw/zinc/61/18/96/747611896.db2.gz ZWQWQIUFIPJOHQ-YOEHRIQHSA-N 1 3 349.479 0.610 20 0 ECADHO O=C(N1C[C@H]2CCN([C@@H]3CCCNC3=O)C[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001088172049 747680152 /nfs/dbraw/zinc/68/01/52/747680152.db2.gz SZVXKSNKOMTGFM-OWCLPIDISA-N 1 3 346.475 0.141 20 0 ECADHO C[C@@H](NCc1ccccn1)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979443048 747849976 /nfs/dbraw/zinc/84/99/76/747849976.db2.gz GYUXZWZRHOSSHG-NVXWUHKLSA-N 1 3 344.459 0.883 20 0 ECADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985482723 748243860 /nfs/dbraw/zinc/24/38/60/748243860.db2.gz YTZLHPVGMRXMPG-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000985482723 748243866 /nfs/dbraw/zinc/24/38/66/748243866.db2.gz YTZLHPVGMRXMPG-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@@H]1CCCNC1=O ZINC001029823448 748614789 /nfs/dbraw/zinc/61/47/89/748614789.db2.gz CUMYCWKHCMNCMX-GOEBONIOSA-N 1 3 336.480 0.387 20 0 ECADHO NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352768 748877695 /nfs/dbraw/zinc/87/76/95/748877695.db2.gz IXHXVHDQURAISZ-NVXWUHKLSA-N 1 3 336.480 0.707 20 0 ECADHO Cn1cc(CCN2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001003972491 749094408 /nfs/dbraw/zinc/09/44/08/749094408.db2.gz YMBVVRVOMQLFLR-OAHLLOKOSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1cc(CCN2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001003972491 749094411 /nfs/dbraw/zinc/09/44/11/749094411.db2.gz YMBVVRVOMQLFLR-OAHLLOKOSA-N 1 3 333.480 0.885 20 0 ECADHO CN1CCC[C@H]([N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985792680 749110164 /nfs/dbraw/zinc/11/01/64/749110164.db2.gz OMUSGBIMNRAQNX-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@H]([N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985792680 749110171 /nfs/dbraw/zinc/11/01/71/749110171.db2.gz OMUSGBIMNRAQNX-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO O=C(NC[C@H]1CCCN1CCn1cccn1)[C@H]1C[NH+]2CCC1CC2 ZINC001027886684 749113860 /nfs/dbraw/zinc/11/38/60/749113860.db2.gz WACRDKKXYCNRLO-SJORKVTESA-N 1 3 331.464 0.806 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2CCc2ccnn2C)CC[N@@H+]1C ZINC001027894214 749168312 /nfs/dbraw/zinc/16/83/12/749168312.db2.gz KSOAYDHOKNQZHV-HYVNUMGLSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2CCc2ccnn2C)CC[N@H+]1C ZINC001027894214 749168316 /nfs/dbraw/zinc/16/83/16/749168316.db2.gz KSOAYDHOKNQZHV-HYVNUMGLSA-N 1 3 333.480 0.883 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCN(C)C1=O ZINC001029887545 749416950 /nfs/dbraw/zinc/41/69/50/749416950.db2.gz DMYWSZKJIJDIFJ-CABCVRRESA-N 1 3 334.464 0.093 20 0 ECADHO Cc1cc(C)n(CCN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000980406741 749508281 /nfs/dbraw/zinc/50/82/81/749508281.db2.gz ROKONIOKFKMKCA-IAGOWNOFSA-N 1 3 333.480 0.984 20 0 ECADHO Cc1cc(C)n(CCN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000980406741 749508284 /nfs/dbraw/zinc/50/82/84/749508284.db2.gz ROKONIOKFKMKCA-IAGOWNOFSA-N 1 3 333.480 0.984 20 0 ECADHO CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904399 749539139 /nfs/dbraw/zinc/53/91/39/749539139.db2.gz VDFGNEMNWANUJH-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904399 749539142 /nfs/dbraw/zinc/53/91/42/749539142.db2.gz VDFGNEMNWANUJH-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004475993 749545700 /nfs/dbraw/zinc/54/57/00/749545700.db2.gz WJERPXICKWIBMM-JKSUJKDBSA-N 1 3 336.480 0.659 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004475993 749545702 /nfs/dbraw/zinc/54/57/02/749545702.db2.gz WJERPXICKWIBMM-JKSUJKDBSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004545457 749607860 /nfs/dbraw/zinc/60/78/60/749607860.db2.gz CNDVPQRNGKEJSS-ZBFHGGJFSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004545457 749607863 /nfs/dbraw/zinc/60/78/63/749607863.db2.gz CNDVPQRNGKEJSS-ZBFHGGJFSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255435 750631916 /nfs/dbraw/zinc/63/19/16/750631916.db2.gz PHLLTPATWMKANM-HZPDHXFCSA-N 1 3 334.468 0.589 20 0 ECADHO C[C@@H]1[C@@H](NCc2cncn2C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987278074 750688963 /nfs/dbraw/zinc/68/89/63/750688963.db2.gz HQLTWSSUMOUAGO-PBHICJAKSA-N 1 3 349.479 0.610 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CCc1ccnn1C)C2 ZINC000981665430 750932438 /nfs/dbraw/zinc/93/24/38/750932438.db2.gz BZRREPZCWFUGFB-QGZVFWFLSA-N 1 3 345.491 0.981 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCc1ccnn1C)C2 ZINC000981665430 750932440 /nfs/dbraw/zinc/93/24/40/750932440.db2.gz BZRREPZCWFUGFB-QGZVFWFLSA-N 1 3 345.491 0.981 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC000981901297 751258259 /nfs/dbraw/zinc/25/82/59/751258259.db2.gz IVUIASGHZYDZSJ-WUJZJPHMSA-N 1 3 349.475 0.156 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000981901297 751258265 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757929234 /nfs/dbraw/zinc/92/92/34/757929234.db2.gz JAEYUPFILZROAV-HNNXBMFYSA-N 1 3 331.464 0.843 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001051654834 762603795 /nfs/dbraw/zinc/60/37/95/762603795.db2.gz VJUGONFQZCVTNU-CVEARBPZSA-N 1 3 335.452 0.077 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CCO1 ZINC001051655302 762606066 /nfs/dbraw/zinc/60/60/66/762606066.db2.gz ZQLAPXHUSYXKGF-DLBZAZTESA-N 1 3 349.479 0.386 20 0 ECADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC001022089006 758259955 /nfs/dbraw/zinc/25/99/55/758259955.db2.gz CQSYVYSUPKZUAY-UXLLHSPISA-N 1 3 329.448 0.864 20 0 ECADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)n1 ZINC000996623174 758268597 /nfs/dbraw/zinc/26/85/97/758268597.db2.gz VFYAMGDQZUAZJR-IRXDYDNUSA-N 1 3 347.463 0.364 20 0 ECADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)n1 ZINC000996623174 758268606 /nfs/dbraw/zinc/26/86/06/758268606.db2.gz VFYAMGDQZUAZJR-IRXDYDNUSA-N 1 3 347.463 0.364 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022120124 758303601 /nfs/dbraw/zinc/30/36/01/758303601.db2.gz KVUGQIJIXPHMOQ-QSJFSLAZSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022120124 758303614 /nfs/dbraw/zinc/30/36/14/758303614.db2.gz KVUGQIJIXPHMOQ-QSJFSLAZSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022120122 758304038 /nfs/dbraw/zinc/30/40/38/758304038.db2.gz KVUGQIJIXPHMOQ-IVSAIRAKSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022120122 758304050 /nfs/dbraw/zinc/30/40/50/758304050.db2.gz KVUGQIJIXPHMOQ-IVSAIRAKSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121027 758305603 /nfs/dbraw/zinc/30/56/03/758305603.db2.gz WEXSSFOXPGEFBZ-HLPPOEQASA-N 1 3 334.420 0.583 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022121027 758305618 /nfs/dbraw/zinc/30/56/18/758305618.db2.gz WEXSSFOXPGEFBZ-HLPPOEQASA-N 1 3 334.420 0.583 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121199 758307523 /nfs/dbraw/zinc/30/75/23/758307523.db2.gz ZYKWTBSZJGIZFS-DLTWYDFYSA-N 1 3 348.447 0.837 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022121199 758307529 /nfs/dbraw/zinc/30/75/29/758307529.db2.gz ZYKWTBSZJGIZFS-DLTWYDFYSA-N 1 3 348.447 0.837 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001077150451 758350352 /nfs/dbraw/zinc/35/03/52/758350352.db2.gz YCOAPOPDVAVUSL-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2CC)C1 ZINC001022166459 758366506 /nfs/dbraw/zinc/36/65/06/758366506.db2.gz WKYZAUZPQNNKKT-IJEWVQPXSA-N 1 3 334.468 0.909 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2CC)C1 ZINC001022166459 758366517 /nfs/dbraw/zinc/36/65/17/758366517.db2.gz WKYZAUZPQNNKKT-IJEWVQPXSA-N 1 3 334.468 0.909 20 0 ECADHO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049234185 758400183 /nfs/dbraw/zinc/40/01/83/758400183.db2.gz YMZCKSAMBCKUFG-QKPAOTATSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049234185 758400187 /nfs/dbraw/zinc/40/01/87/758400187.db2.gz YMZCKSAMBCKUFG-QKPAOTATSA-N 1 3 336.480 0.515 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001049235871 758405923 /nfs/dbraw/zinc/40/59/23/758405923.db2.gz XYFGWENBORTWAF-HRCADAONSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001077182190 758433141 /nfs/dbraw/zinc/43/31/41/758433141.db2.gz DXQLJYZURBDENC-HOCLYGCPSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001077183704 758439598 /nfs/dbraw/zinc/43/95/98/758439598.db2.gz WQJQKIURPVPXCL-XJKSGUPXSA-N 1 3 338.496 0.679 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)N(C)C ZINC001022223914 758447233 /nfs/dbraw/zinc/44/72/33/758447233.db2.gz XVQUTQKIBCORIV-HRCADAONSA-N 1 3 348.491 0.482 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000996693711 758492196 /nfs/dbraw/zinc/49/21/96/758492196.db2.gz QQVZEOMBKJUDRV-HOTGVXAUSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@H](CNCc2cccnc2)C1)[NH+](C)C ZINC001051667282 762638891 /nfs/dbraw/zinc/63/88/91/762638891.db2.gz NLJRMCJOAAQNSF-SJORKVTESA-N 1 3 334.464 0.985 20 0 ECADHO COCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049486864 758796774 /nfs/dbraw/zinc/79/67/74/758796774.db2.gz RKLMHDRBBXMCDR-IAGOWNOFSA-N 1 3 349.479 0.770 20 0 ECADHO CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022712267 759025943 /nfs/dbraw/zinc/02/59/43/759025943.db2.gz OEBQQNLHWJVELD-AEGPPILISA-N 1 3 334.468 0.828 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)n[nH]1 ZINC001022719378 759039543 /nfs/dbraw/zinc/03/95/43/759039543.db2.gz KNDBLVAPFUMDGI-FQUUOJAGSA-N 1 3 334.468 0.863 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)n[nH]1 ZINC001022719378 759039551 /nfs/dbraw/zinc/03/95/51/759039551.db2.gz KNDBLVAPFUMDGI-FQUUOJAGSA-N 1 3 334.468 0.863 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c(C)n1 ZINC001022720649 759042719 /nfs/dbraw/zinc/04/27/19/759042719.db2.gz SCSRXSPADRXXNC-KSYCFECVSA-N 1 3 347.463 0.728 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)c(C)n1 ZINC001022720649 759042724 /nfs/dbraw/zinc/04/27/24/759042724.db2.gz SCSRXSPADRXXNC-KSYCFECVSA-N 1 3 347.463 0.728 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]3[C@H]2CCN3CCn2cncn2)C1 ZINC001049841351 759283359 /nfs/dbraw/zinc/28/33/59/759283359.db2.gz RTQKORAIGUGCDA-IXDOHACOSA-N 1 3 346.479 0.685 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]3[C@H]2CCN3CCn2cncn2)C1 ZINC001049841351 759283366 /nfs/dbraw/zinc/28/33/66/759283366.db2.gz RTQKORAIGUGCDA-IXDOHACOSA-N 1 3 346.479 0.685 20 0 ECADHO C[C@@H](NCc1ncnn1C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047974981 759760626 /nfs/dbraw/zinc/76/06/26/759760626.db2.gz HCSOYSSGMWVZGQ-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1ncnn1C)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047974981 759760632 /nfs/dbraw/zinc/76/06/32/759760632.db2.gz HCSOYSSGMWVZGQ-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)N(CC)CC)CC[N@@H+]1C ZINC001127707254 760041352 /nfs/dbraw/zinc/04/13/52/760041352.db2.gz XHVWOQGEJHVYAD-QLFBSQMISA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)N(CC)CC)CC[N@H+]1C ZINC001127707254 760041364 /nfs/dbraw/zinc/04/13/64/760041364.db2.gz XHVWOQGEJHVYAD-QLFBSQMISA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2nncn2C)CC1 ZINC001050366181 760186498 /nfs/dbraw/zinc/18/64/98/760186498.db2.gz QJKILTCAAQTVAD-YHUYYLMFSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2nncn2C)CC1 ZINC001050366181 760186503 /nfs/dbraw/zinc/18/65/03/760186503.db2.gz QJKILTCAAQTVAD-YHUYYLMFSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CNCc1cn(C)nn1 ZINC001048339479 760336956 /nfs/dbraw/zinc/33/69/56/760336956.db2.gz UQSIHCUFVURDEK-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNCc1nccn1C ZINC001048365294 760379629 /nfs/dbraw/zinc/37/96/29/760379629.db2.gz DSMKNVYPQRPSNX-HOCLYGCPSA-N 1 3 333.480 0.946 20 0 ECADHO Cc1nnc(CNC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)[nH]1 ZINC001048371302 760392834 /nfs/dbraw/zinc/39/28/34/760392834.db2.gz XFFZEYSLTZMRKH-IUODEOHRSA-N 1 3 334.468 0.639 20 0 ECADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598344 760551438 /nfs/dbraw/zinc/55/14/38/760551438.db2.gz CDCWCZYDOVCWFQ-XZZQLLPFSA-N 1 3 349.475 0.155 20 0 ECADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001048587269 760759010 /nfs/dbraw/zinc/75/90/10/760759010.db2.gz IBRNMINFRWCEMD-LVQVYYBASA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001048587269 760759019 /nfs/dbraw/zinc/75/90/19/760759019.db2.gz IBRNMINFRWCEMD-LVQVYYBASA-N 1 3 336.480 0.386 20 0 ECADHO Cn1nnnc1CNC[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001048624490 760808860 /nfs/dbraw/zinc/80/88/60/760808860.db2.gz UXEVMFKAAMQOPX-KKUMJFAQSA-N 1 3 349.483 0.174 20 0 ECADHO Cn1nnnc1CNC[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001048624490 760808871 /nfs/dbraw/zinc/80/88/71/760808871.db2.gz UXEVMFKAAMQOPX-KKUMJFAQSA-N 1 3 349.483 0.174 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001127078450 760841944 /nfs/dbraw/zinc/84/19/44/760841944.db2.gz NWHRNOJKQSDOEA-CVEARBPZSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001127078450 760841956 /nfs/dbraw/zinc/84/19/56/760841956.db2.gz NWHRNOJKQSDOEA-CVEARBPZSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H](N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C)C(N)=O ZINC000995972125 760902931 /nfs/dbraw/zinc/90/29/31/760902931.db2.gz YCFYFEXDWAFGDE-ZIAGYGMSSA-N 1 3 336.480 0.563 20 0 ECADHO CN1CC[C@H](N[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)C1=O ZINC000995993655 760917339 /nfs/dbraw/zinc/91/73/39/760917339.db2.gz CEESHAZAFYOUAN-GJZGRUSLSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC000991441420 760962352 /nfs/dbraw/zinc/96/23/52/760962352.db2.gz NSNUBMGNMQICDC-QGZVFWFLSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000991486829 761183571 /nfs/dbraw/zinc/18/35/71/761183571.db2.gz QWJRGTSJJQKXEY-DLBZAZTESA-N 1 3 348.491 0.528 20 0 ECADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001050991883 761286718 /nfs/dbraw/zinc/28/67/18/761286718.db2.gz DJOKIOQJZSBZSQ-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001051314489 761872862 /nfs/dbraw/zinc/87/28/62/761872862.db2.gz NOYDECWNBMXTGP-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](F)CCN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014475468 762731679 /nfs/dbraw/zinc/73/16/79/762731679.db2.gz WYXFDDZWOIMMIE-KGLIPLIRSA-N 1 3 325.432 0.997 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)cn1 ZINC001051802609 763000283 /nfs/dbraw/zinc/00/02/83/763000283.db2.gz YAYXZMAPPJHZEH-INIZCTEOSA-N 1 3 335.452 0.079 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001046833714 763197179 /nfs/dbraw/zinc/19/71/79/763197179.db2.gz HUVOBKLDLQKQJW-QFBILLFUSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001046833714 763197180 /nfs/dbraw/zinc/19/71/80/763197180.db2.gz HUVOBKLDLQKQJW-QFBILLFUSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCc3cncc(F)c3)C2)C1 ZINC001051931351 763365356 /nfs/dbraw/zinc/36/53/56/763365356.db2.gz YSFYOQAUPWUEBA-GDBMZVCRSA-N 1 3 336.411 0.489 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCc3cncc(F)c3)C2)C1 ZINC001051931351 763365362 /nfs/dbraw/zinc/36/53/62/763365362.db2.gz YSFYOQAUPWUEBA-GDBMZVCRSA-N 1 3 336.411 0.489 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)cn1 ZINC001047157330 763738039 /nfs/dbraw/zinc/73/80/39/763738039.db2.gz BDBQWAUDCBUXSH-BPUTZDHNSA-N 1 3 337.443 0.997 20 0 ECADHO Cn1ccc(CNC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995164598 763827825 /nfs/dbraw/zinc/82/78/25/763827825.db2.gz AXIZVEGMYMJTGZ-LSDHHAIUSA-N 1 3 331.464 0.890 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)NCC2CN(C[C@@H]3CCCCO3)C2)cn1 ZINC001032043371 764271233 /nfs/dbraw/zinc/27/12/33/764271233.db2.gz GOLZHMQXJJYJSM-KRWDZBQOSA-N 1 3 349.479 0.675 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C)n1 ZINC001054734723 768207500 /nfs/dbraw/zinc/20/75/00/768207500.db2.gz CWKNPOKDJQDPNO-GUYCJALGSA-N 1 3 348.495 0.816 20 0 ECADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001047463289 764419554 /nfs/dbraw/zinc/41/95/54/764419554.db2.gz AUVCTOJEXNIJAJ-MYTOGIIISA-N 1 3 349.475 0.153 20 0 ECADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001047463289 764419559 /nfs/dbraw/zinc/41/95/59/764419559.db2.gz AUVCTOJEXNIJAJ-MYTOGIIISA-N 1 3 349.475 0.153 20 0 ECADHO CC(C)CNCc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098769082 764675808 /nfs/dbraw/zinc/67/58/08/764675808.db2.gz XRGSVAWBBHVQAD-MRXNPFEDSA-N 1 3 346.479 0.893 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CN(CCCF)C[C@@H]2O)CC1 ZINC001047584239 764777441 /nfs/dbraw/zinc/77/74/41/764777441.db2.gz PNHJJUNTZWVMGW-HOTGVXAUSA-N 1 3 329.460 0.970 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001052661026 764953524 /nfs/dbraw/zinc/95/35/24/764953524.db2.gz KJGSCBIQUCWYPM-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001052661026 764953529 /nfs/dbraw/zinc/95/35/29/764953529.db2.gz KJGSCBIQUCWYPM-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC001052716781 765037836 /nfs/dbraw/zinc/03/78/36/765037836.db2.gz PMYFXVJUISZEPN-CVEARBPZSA-N 1 3 334.468 0.733 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052716781 765037837 /nfs/dbraw/zinc/03/78/37/765037837.db2.gz PMYFXVJUISZEPN-CVEARBPZSA-N 1 3 334.468 0.733 20 0 ECADHO CC[C@H](C(N)=O)N1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766450 765084458 /nfs/dbraw/zinc/08/44/58/765084458.db2.gz DIUJRFGKNADSPX-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001052782446 765108721 /nfs/dbraw/zinc/10/87/21/765108721.db2.gz GWUSIPVCIGBFCS-HOTGVXAUSA-N 1 3 340.512 0.879 20 0 ECADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001052782446 765108724 /nfs/dbraw/zinc/10/87/24/765108724.db2.gz GWUSIPVCIGBFCS-HOTGVXAUSA-N 1 3 340.512 0.879 20 0 ECADHO Cn1nccc1CCN1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015793633 765330456 /nfs/dbraw/zinc/33/04/56/765330456.db2.gz BITZNHOHDZVKHU-MRXNPFEDSA-N 1 3 333.480 0.885 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001053290927 765919165 /nfs/dbraw/zinc/91/91/65/765919165.db2.gz XMUMRWZLRKSWNK-JKSUJKDBSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001053362387 766034626 /nfs/dbraw/zinc/03/46/26/766034626.db2.gz RYANJJRRQNFJBG-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001016530984 766446969 /nfs/dbraw/zinc/44/69/69/766446969.db2.gz HBDXGMXQSIQSDQ-FHERZECASA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016530984 766446973 /nfs/dbraw/zinc/44/69/73/766446973.db2.gz HBDXGMXQSIQSDQ-FHERZECASA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089593782 766575723 /nfs/dbraw/zinc/57/57/23/766575723.db2.gz SYJQTQSXGFPLPD-HOCLYGCPSA-N 1 3 332.452 0.503 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089593782 766575731 /nfs/dbraw/zinc/57/57/31/766575731.db2.gz SYJQTQSXGFPLPD-HOCLYGCPSA-N 1 3 332.452 0.503 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H]2CCc3ncnn32)C1 ZINC001031715620 766717006 /nfs/dbraw/zinc/71/70/06/766717006.db2.gz XUSUZSOTMOULEH-HZPDHXFCSA-N 1 3 346.479 0.688 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H]2CCc3ncnn32)C1 ZINC001031715620 766717008 /nfs/dbraw/zinc/71/70/08/766717008.db2.gz XUSUZSOTMOULEH-HZPDHXFCSA-N 1 3 346.479 0.688 20 0 ECADHO CN(CC(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1)C1CCC1 ZINC001046035638 766723248 /nfs/dbraw/zinc/72/32/48/766723248.db2.gz RFIVJCGJYDDKGR-KRWDZBQOSA-N 1 3 338.496 0.072 20 0 ECADHO CN(CC(=O)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1)C1CCC1 ZINC001046035638 766723250 /nfs/dbraw/zinc/72/32/50/766723250.db2.gz RFIVJCGJYDDKGR-KRWDZBQOSA-N 1 3 338.496 0.072 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN([C@@H]3CC[N@H+](CCCF)C3)CC2)C1 ZINC001046064868 766847202 /nfs/dbraw/zinc/84/72/02/766847202.db2.gz XFHYJAWGSXKDNU-DLBZAZTESA-N 1 3 340.487 0.906 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN([C@@H]3CC[N@@H+](CCCF)C3)CC2)C1 ZINC001046064868 766847211 /nfs/dbraw/zinc/84/72/11/766847211.db2.gz XFHYJAWGSXKDNU-DLBZAZTESA-N 1 3 340.487 0.906 20 0 ECADHO C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CCO1 ZINC000914123314 767045761 /nfs/dbraw/zinc/04/57/61/767045761.db2.gz NYPVWEPPHPDIEN-CABCVRRESA-N 1 3 331.482 0.065 20 0 ECADHO CN(C(=O)CN1CCCC1)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000938683923 767063962 /nfs/dbraw/zinc/06/39/62/767063962.db2.gz SORAABSAYPAXAD-DOTOQJQBSA-N 1 3 336.480 0.482 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106910297 767136385 /nfs/dbraw/zinc/13/63/85/767136385.db2.gz VYTIKZBANIOHFD-GDBMZVCRSA-N 1 3 338.496 0.539 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)[C@H](C)C1 ZINC001106910569 767148176 /nfs/dbraw/zinc/14/81/76/767148176.db2.gz DTYZRZCASIYWRT-BZUAXINKSA-N 1 3 348.495 0.791 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001127652803 767450614 /nfs/dbraw/zinc/45/06/14/767450614.db2.gz COROSINTLIMYOJ-GMTAPVOTSA-N 1 3 338.374 0.099 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001127652803 767450616 /nfs/dbraw/zinc/45/06/16/767450616.db2.gz COROSINTLIMYOJ-GMTAPVOTSA-N 1 3 338.374 0.099 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@H]([NH2+]CCn3cncn3)[C@H]2C1 ZINC000992829211 767652859 /nfs/dbraw/zinc/65/28/59/767652859.db2.gz DPBXLCDUICTMSJ-BPUTZDHNSA-N 1 3 343.435 0.461 20 0 ECADHO CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](O)C1)OC ZINC001083733312 768539516 /nfs/dbraw/zinc/53/95/16/768539516.db2.gz JEOGUURINLYIKZ-ZNMIVQPWSA-N 1 3 339.436 0.541 20 0 ECADHO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](O)C1)OC ZINC001083733312 768539522 /nfs/dbraw/zinc/53/95/22/768539522.db2.gz JEOGUURINLYIKZ-ZNMIVQPWSA-N 1 3 339.436 0.541 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665465 768578233 /nfs/dbraw/zinc/57/82/33/768578233.db2.gz XPYKMTTWTAFYFZ-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC001106784268 768951259 /nfs/dbraw/zinc/95/12/59/768951259.db2.gz FBNNKBHDCMZOLY-RBSFLKMASA-N 1 3 326.485 0.489 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001018636397 769690063 /nfs/dbraw/zinc/69/00/63/769690063.db2.gz UNHVYXUCFYKSFJ-LSDHHAIUSA-N 1 3 343.493 0.096 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000993880590 769779523 /nfs/dbraw/zinc/77/95/23/769779523.db2.gz NORVFXCOIAROKF-IRXDYDNUSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000993933389 769851752 /nfs/dbraw/zinc/85/17/52/769851752.db2.gz TUUICXFATSCSAF-ZBFHGGJFSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000993933389 769851769 /nfs/dbraw/zinc/85/17/69/769851769.db2.gz TUUICXFATSCSAF-ZBFHGGJFSA-N 1 3 336.480 0.386 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001018867136 770138031 /nfs/dbraw/zinc/13/80/31/770138031.db2.gz IEYNNCKVAPCUQN-VNHYZAJKSA-N 1 3 349.431 0.679 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001018867136 770138034 /nfs/dbraw/zinc/13/80/34/770138034.db2.gz IEYNNCKVAPCUQN-VNHYZAJKSA-N 1 3 349.431 0.679 20 0 ECADHO CN(CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)C1CCC1 ZINC001018972705 770436977 /nfs/dbraw/zinc/43/69/77/770436977.db2.gz KRHPYSROCPRLFJ-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNCc1cnns1 ZINC001106880120 770520399 /nfs/dbraw/zinc/52/03/99/770520399.db2.gz AEUUZWANFPTBBI-CHWSQXEVSA-N 1 3 341.481 0.300 20 0 ECADHO Cn1nccc1CN[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001019023396 770591173 /nfs/dbraw/zinc/59/11/73/770591173.db2.gz PMDBXAQOHFJDCT-HNNXBMFYSA-N 1 3 331.464 0.987 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)C1)N(C)C ZINC001019033130 770610573 /nfs/dbraw/zinc/61/05/73/770610573.db2.gz AMQJBXGPSSLMSC-HRCADAONSA-N 1 3 338.496 0.918 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001019154365 770943264 /nfs/dbraw/zinc/94/32/64/770943264.db2.gz MUUFDSYGHYAVDV-MRXNPFEDSA-N 1 3 348.491 0.483 20 0 ECADHO O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H](NCc2ccccn2)C1 ZINC001019168565 770981574 /nfs/dbraw/zinc/98/15/74/770981574.db2.gz KBFTZTHGTSNRGG-OGFXQLCQSA-N 1 3 342.443 0.635 20 0 ECADHO O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H](NCc2ccccn2)C1 ZINC001019168565 770981578 /nfs/dbraw/zinc/98/15/78/770981578.db2.gz KBFTZTHGTSNRGG-OGFXQLCQSA-N 1 3 342.443 0.635 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001019241526 771049083 /nfs/dbraw/zinc/04/90/83/771049083.db2.gz FJNLWRIKSQHHOF-CWRNSKLLSA-N 1 3 334.464 0.425 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)n1 ZINC001019342965 771185490 /nfs/dbraw/zinc/18/54/90/771185490.db2.gz QMGIGUFHIKCGIL-JKSUJKDBSA-N 1 3 336.484 0.672 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1)N(C)C ZINC001019396977 771247888 /nfs/dbraw/zinc/24/78/88/771247888.db2.gz CPPFOOLWYFHNCI-HOTGVXAUSA-N 1 3 332.448 0.816 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[NH+](C)C ZINC001056417463 771250237 /nfs/dbraw/zinc/25/02/37/771250237.db2.gz WZMBVEBHEJMVEM-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056456938 771288813 /nfs/dbraw/zinc/28/88/13/771288813.db2.gz WOQWFGSQHJRVKG-OAGGEKHMSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)C2 ZINC001019441415 771289398 /nfs/dbraw/zinc/28/93/98/771289398.db2.gz LDNGEAHXRFLBAI-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)C2 ZINC001019441415 771289402 /nfs/dbraw/zinc/28/94/02/771289402.db2.gz LDNGEAHXRFLBAI-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO CC1CCN(C(=O)CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001127474354 771298165 /nfs/dbraw/zinc/29/81/65/771298165.db2.gz LHBVJIADSANUGI-MRXNPFEDSA-N 1 3 336.480 0.293 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001019495674 771363071 /nfs/dbraw/zinc/36/30/71/771363071.db2.gz IWKQGEXOKOBTKO-CQSZACIVSA-N 1 3 345.447 0.355 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001019495674 771363076 /nfs/dbraw/zinc/36/30/76/771363076.db2.gz IWKQGEXOKOBTKO-CQSZACIVSA-N 1 3 345.447 0.355 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC001019559024 771484466 /nfs/dbraw/zinc/48/44/66/771484466.db2.gz ZPXCTZDMHOBPGA-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001056679074 771505674 /nfs/dbraw/zinc/50/56/74/771505674.db2.gz BLPKORVCXAYCQZ-JKSUJKDBSA-N 1 3 338.496 0.728 20 0 ECADHO Cn1nccc1CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001020179420 772251561 /nfs/dbraw/zinc/25/15/61/772251561.db2.gz ZYQUSOLMAYGVTQ-SRABZTEZSA-N 1 3 347.463 0.063 20 0 ECADHO CN1CC[C@@H](NC[C@@H]2CCCN2C(=O)CC2CC[NH+](C)CC2)C1=O ZINC001045228854 775181225 /nfs/dbraw/zinc/18/12/25/775181225.db2.gz CXOICXCKDORFOD-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CCn1nnc(C)c1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001045309037 775375278 /nfs/dbraw/zinc/37/52/78/775375278.db2.gz NBWQQEFHNZRQNH-CABCVRRESA-N 1 3 334.468 0.639 20 0 ECADHO CCn1nnc(C)c1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001045309037 775375289 /nfs/dbraw/zinc/37/52/89/775375289.db2.gz NBWQQEFHNZRQNH-CABCVRRESA-N 1 3 334.468 0.639 20 0 ECADHO COc1coc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1=O ZINC001045311018 775382724 /nfs/dbraw/zinc/38/27/24/775382724.db2.gz CGQCCQBOQMZNCW-AWEZNQCLSA-N 1 3 349.431 0.825 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001045312110 775388594 /nfs/dbraw/zinc/38/85/94/775388594.db2.gz WRIVVRZPMZUQRS-CABCVRRESA-N 1 3 343.493 0.098 20 0 ECADHO CC1(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[NH+](CCCO)CC1 ZINC001045506342 775713428 /nfs/dbraw/zinc/71/34/28/775713428.db2.gz KJMSKDFEWTVQBV-CSLYMUCUSA-N 1 3 337.464 0.203 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001079807041 776910275 /nfs/dbraw/zinc/91/02/75/776910275.db2.gz IHTJWMUSDQCHIQ-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079807041 776910279 /nfs/dbraw/zinc/91/02/79/776910279.db2.gz IHTJWMUSDQCHIQ-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1)N(C)C ZINC001080018455 777240872 /nfs/dbraw/zinc/24/08/72/777240872.db2.gz WGWJKQYJHWVVCP-HZPDHXFCSA-N 1 3 338.496 0.726 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001080192316 777531001 /nfs/dbraw/zinc/53/10/01/777531001.db2.gz NMKREBNWVRDSCX-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080192316 777531006 /nfs/dbraw/zinc/53/10/06/777531006.db2.gz NMKREBNWVRDSCX-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001077655869 781437672 /nfs/dbraw/zinc/43/76/72/781437672.db2.gz KQISCVCJSCOOCB-GOEBONIOSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1CC[C@]2(CCN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001041606647 781840098 /nfs/dbraw/zinc/84/00/98/781840098.db2.gz SYKBJDHFEXMZBQ-ACJLOTCBSA-N 1 3 348.447 0.753 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001041606647 781840106 /nfs/dbraw/zinc/84/01/06/781840106.db2.gz SYKBJDHFEXMZBQ-ACJLOTCBSA-N 1 3 348.447 0.753 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCC3(C2)CCN([C@@H]2CCNC2=O)CC3)C1 ZINC001040848472 783554474 /nfs/dbraw/zinc/55/44/74/783554474.db2.gz JMUVQZYKCKXQLJ-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC3(C2)CCN([C@@H]2CCNC2=O)CC3)C1 ZINC001040848472 783554479 /nfs/dbraw/zinc/55/44/79/783554479.db2.gz JMUVQZYKCKXQLJ-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001070191915 783625534 /nfs/dbraw/zinc/62/55/34/783625534.db2.gz ZTECBKJKUXTWRJ-PMPSAXMXSA-N 1 3 334.468 0.902 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070332470 783839952 /nfs/dbraw/zinc/83/99/52/783839952.db2.gz FWNMVFIHDFRLMJ-ZACQAIPSSA-N 1 3 346.479 0.904 20 0 ECADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001070655297 784506790 /nfs/dbraw/zinc/50/67/90/784506790.db2.gz DUGPKFVUZISWGU-FVQBIDKESA-N 1 3 349.479 0.169 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070766204 784669575 /nfs/dbraw/zinc/66/95/75/784669575.db2.gz NYNQHKMYKAUHGA-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@]2(CCN(CCO)C2)O1 ZINC001071199417 784719852 /nfs/dbraw/zinc/71/98/52/784719852.db2.gz MCOZEYDNJAGBJO-CRAIPNDOSA-N 1 3 339.480 0.545 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001071204113 784729723 /nfs/dbraw/zinc/72/97/23/784729723.db2.gz DFGSKFXCKOVIPK-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001072150664 785749907 /nfs/dbraw/zinc/74/99/07/785749907.db2.gz UEOKHQWNMYRGPS-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001072151512 785752069 /nfs/dbraw/zinc/75/20/69/785752069.db2.gz CJUHULPPJXGLIM-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001072151512 785752075 /nfs/dbraw/zinc/75/20/75/785752075.db2.gz CJUHULPPJXGLIM-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1cncn1C ZINC001072368866 786091620 /nfs/dbraw/zinc/09/16/20/786091620.db2.gz HORMSMJQKJEGLI-KGLIPLIRSA-N 1 3 330.436 0.960 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001073631141 786819721 /nfs/dbraw/zinc/81/97/21/786819721.db2.gz OAPSSYCNAZSPNU-JKSUJKDBSA-N 1 3 327.469 0.164 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001073631141 786819728 /nfs/dbraw/zinc/81/97/28/786819728.db2.gz OAPSSYCNAZSPNU-JKSUJKDBSA-N 1 3 327.469 0.164 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073632108 786822322 /nfs/dbraw/zinc/82/23/22/786822322.db2.gz XYEFFXIRCVIRBY-SJORKVTESA-N 1 3 341.496 0.818 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001073632108 786822326 /nfs/dbraw/zinc/82/23/26/786822326.db2.gz XYEFFXIRCVIRBY-SJORKVTESA-N 1 3 341.496 0.818 20 0 ECADHO O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001073633944 786828289 /nfs/dbraw/zinc/82/82/89/786828289.db2.gz KAXBXEQBBCGTLQ-IAGOWNOFSA-N 1 3 339.480 0.593 20 0 ECADHO O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001073633944 786828299 /nfs/dbraw/zinc/82/82/99/786828299.db2.gz KAXBXEQBBCGTLQ-IAGOWNOFSA-N 1 3 339.480 0.593 20 0 ECADHO O=C(NC[C@@H]1C[N@H+](CC2CC2)CCCO1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001073710314 787020301 /nfs/dbraw/zinc/02/03/01/787020301.db2.gz XCBGMBKCBKMVSS-ISXWCOSWSA-N 1 3 349.475 0.467 20 0 ECADHO O=C(NC[C@@H]1C[N@@H+](CC2CC2)CCCO1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001073710314 787020309 /nfs/dbraw/zinc/02/03/09/787020309.db2.gz XCBGMBKCBKMVSS-ISXWCOSWSA-N 1 3 349.475 0.467 20 0 ECADHO COC[C@H](C)N1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755990 787135433 /nfs/dbraw/zinc/13/54/33/787135433.db2.gz PMPDEFQQGXFFBS-HOCLYGCPSA-N 1 3 327.469 0.570 20 0 ECADHO CO[C@H](C)CN1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073756214 787136735 /nfs/dbraw/zinc/13/67/35/787136735.db2.gz WOFBPRBUQAJRDU-GDBMZVCRSA-N 1 3 327.469 0.570 20 0 ECADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001073899075 787474884 /nfs/dbraw/zinc/47/48/84/787474884.db2.gz KSXYJLUVUMGFLD-QGZVFWFLSA-N 1 3 349.475 0.951 20 0 ECADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073899075 787474886 /nfs/dbraw/zinc/47/48/86/787474886.db2.gz KSXYJLUVUMGFLD-QGZVFWFLSA-N 1 3 349.475 0.951 20 0 ECADHO C[C@H]1[C@@H](NCc2cnnn2C)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001074767308 787787407 /nfs/dbraw/zinc/78/74/07/787787407.db2.gz PICGBEXXQYRJJR-JQFCIGGWSA-N 1 3 346.479 0.769 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1NC(=O)CCC[NH+](C)C ZINC001074164299 787972651 /nfs/dbraw/zinc/97/26/51/787972651.db2.gz CYCAHQWCFVWBJR-UKRRQHHQSA-N 1 3 335.452 0.647 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001074192649 788019985 /nfs/dbraw/zinc/01/99/85/788019985.db2.gz FHFHOBMYCJBLDT-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001074852957 788439081 /nfs/dbraw/zinc/43/90/81/788439081.db2.gz HGSZXQLWEURZBK-CWRNSKLLSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)[C@@H]1C)N(C)C ZINC001074885710 788487851 /nfs/dbraw/zinc/48/78/51/788487851.db2.gz SQXOPPMTZBVLTJ-JONQDZQNSA-N 1 3 338.496 0.915 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001075042279 788786895 /nfs/dbraw/zinc/78/68/95/788786895.db2.gz HBFZXGNMGJKDFY-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001075042279 788786903 /nfs/dbraw/zinc/78/69/03/788786903.db2.gz HBFZXGNMGJKDFY-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)CCCC[NH+](C)C ZINC001072799334 788825048 /nfs/dbraw/zinc/82/50/48/788825048.db2.gz VVFRZTUJINICFA-HIFRSBDPSA-N 1 3 335.452 0.647 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001072801341 788832583 /nfs/dbraw/zinc/83/25/83/788832583.db2.gz QDBWWBFTULMRDB-JSGCOSHPSA-N 1 3 333.436 0.257 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@H]2CCc3ncnn32)CCN1C(=O)CN1CCCC1 ZINC001075108734 788917111 /nfs/dbraw/zinc/91/71/11/788917111.db2.gz HGNVMASLKDHAGG-ZNMIVQPWSA-N 1 3 332.452 0.440 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)CN1CCCC1 ZINC001075108789 788917329 /nfs/dbraw/zinc/91/73/29/788917329.db2.gz MMZCZTLAVOPBJP-KKUMJFAQSA-N 1 3 343.493 0.096 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001073455002 789863234 /nfs/dbraw/zinc/86/32/34/789863234.db2.gz WBHPZLCWBXAOJO-HZPDHXFCSA-N 1 3 346.479 0.685 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)COCC[NH+](C)C)N(C)C ZINC001067830100 792335331 /nfs/dbraw/zinc/33/53/31/792335331.db2.gz XIAICYYLXDMGKG-HNNXBMFYSA-N 1 3 344.500 0.212 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001067010647 792572072 /nfs/dbraw/zinc/57/20/72/792572072.db2.gz RSHLODKTBINUOR-HOTGVXAUSA-N 1 3 338.496 0.728 20 0 ECADHO COCCN1CCN(CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001266277786 835603882 /nfs/dbraw/zinc/60/38/82/835603882.db2.gz PVQOLTNDCSJVNF-IAGOWNOFSA-N 1 3 340.512 0.630 20 0 ECADHO CN(C[C@H]1CCN1C(=O)CN1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001414155017 836121002 /nfs/dbraw/zinc/12/10/02/836121002.db2.gz NYSGGTDLIPYHTC-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001266732062 836211784 /nfs/dbraw/zinc/21/17/84/836211784.db2.gz APSNZLMFWVKSER-DARAHFNDSA-N 1 3 336.480 0.622 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)NCC(C)(C)C)[NH+](C)C ZINC001266733462 836215498 /nfs/dbraw/zinc/21/54/98/836215498.db2.gz WAKYZWIAVYDCPZ-HNNXBMFYSA-N 1 3 328.501 0.783 20 0 ECADHO CCCCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001266778217 836292677 /nfs/dbraw/zinc/29/26/77/836292677.db2.gz JTCRRKDSYSZNOG-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001267067759 836711972 /nfs/dbraw/zinc/71/19/72/836711972.db2.gz AIVIFKHTQZXEIL-KGLIPLIRSA-N 1 3 331.407 0.945 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)N1CCCCC1 ZINC001267109504 836794780 /nfs/dbraw/zinc/79/47/80/836794780.db2.gz HPMAXMLVPMJOFI-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001408595436 837149358 /nfs/dbraw/zinc/14/93/58/837149358.db2.gz XYTALHCEZYFOKD-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001408595436 837149362 /nfs/dbraw/zinc/14/93/62/837149362.db2.gz XYTALHCEZYFOKD-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO COCCOCCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267762172 838489728 /nfs/dbraw/zinc/48/97/28/838489728.db2.gz DSOVEVMPVGNBKB-BZUAXINKSA-N 1 3 327.469 0.522 20 0 ECADHO COCCOCCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267762172 838489731 /nfs/dbraw/zinc/48/97/31/838489731.db2.gz DSOVEVMPVGNBKB-BZUAXINKSA-N 1 3 327.469 0.522 20 0 ECADHO CCN(CC)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001408826439 838553539 /nfs/dbraw/zinc/55/35/39/838553539.db2.gz XBDMRSFSAWTWFI-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001408826439 838553545 /nfs/dbraw/zinc/55/35/45/838553545.db2.gz XBDMRSFSAWTWFI-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000460043871 282082840 /nfs/dbraw/zinc/08/28/40/282082840.db2.gz SBSOYQBFGUMEFT-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000423198757 290639571 /nfs/dbraw/zinc/63/95/71/290639571.db2.gz HRFOPUDDGRNHQK-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000416815659 282174230 /nfs/dbraw/zinc/17/42/30/282174230.db2.gz WQUAZJOYXNBCPO-ROUUACIJSA-N 1 3 345.491 0.978 20 0 ECADHO CN(CCNC(=O)[C@@H]1CCCN1C1CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427495123 210205176 /nfs/dbraw/zinc/20/51/76/210205176.db2.gz BEISGWUENCSCDL-IRXDYDNUSA-N 1 3 348.491 0.815 20 0 ECADHO CN(CCNC(=O)[C@@H]1CCCN1C1CC1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427495123 210205179 /nfs/dbraw/zinc/20/51/79/210205179.db2.gz BEISGWUENCSCDL-IRXDYDNUSA-N 1 3 348.491 0.815 20 0 ECADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000426501127 210154107 /nfs/dbraw/zinc/15/41/07/210154107.db2.gz QPPQZGVJYBXWNY-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000426501127 210154112 /nfs/dbraw/zinc/15/41/12/210154112.db2.gz QPPQZGVJYBXWNY-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@@H+]1C ZINC000425387272 210047976 /nfs/dbraw/zinc/04/79/76/210047976.db2.gz NCQOYNHBVNAXMJ-FXUDXRNXSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@H+]1C ZINC000425387272 210047979 /nfs/dbraw/zinc/04/79/79/210047979.db2.gz NCQOYNHBVNAXMJ-FXUDXRNXSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000355295702 299232859 /nfs/dbraw/zinc/23/28/59/299232859.db2.gz GOBVCMFJAAJDPA-RBSFLKMASA-N 1 3 326.485 0.679 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419762536 283165827 /nfs/dbraw/zinc/16/58/27/283165827.db2.gz LYRNSCZNSPGTBR-QWHCGFSZSA-N 1 3 328.457 0.064 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419762536 283165828 /nfs/dbraw/zinc/16/58/28/283165828.db2.gz LYRNSCZNSPGTBR-QWHCGFSZSA-N 1 3 328.457 0.064 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423419307 283231896 /nfs/dbraw/zinc/23/18/96/283231896.db2.gz VQYNSADLXCLBES-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419877877 283232721 /nfs/dbraw/zinc/23/27/21/283232721.db2.gz QBMPIIZQEHTJDO-LSDHHAIUSA-N 1 3 326.485 0.953 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000420468522 209373801 /nfs/dbraw/zinc/37/38/01/209373801.db2.gz YDLFJTOBUSMECT-ZDUSSCGKSA-N 1 3 331.486 0.323 20 0 ECADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420138060 209318167 /nfs/dbraw/zinc/31/81/67/209318167.db2.gz MFEFISVPCAYJEO-INIZCTEOSA-N 1 3 334.464 0.499 20 0 ECADHO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000420004273 209274636 /nfs/dbraw/zinc/27/46/36/209274636.db2.gz AKRGJXISQIDNPY-AWEZNQCLSA-N 1 3 326.485 0.810 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000419987554 209269405 /nfs/dbraw/zinc/26/94/05/209269405.db2.gz XFCFZIHBOKRZRC-CQSZACIVSA-N 1 3 340.493 0.738 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419970349 209264067 /nfs/dbraw/zinc/26/40/67/209264067.db2.gz UPGBJLVBQZZRTP-OAHLLOKOSA-N 1 3 326.485 0.810 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000419935003 209252828 /nfs/dbraw/zinc/25/28/28/209252828.db2.gz RNCZVYNRUWSHSS-PVAVHDDUSA-N 1 3 346.475 0.991 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000419935003 209252829 /nfs/dbraw/zinc/25/28/29/209252829.db2.gz RNCZVYNRUWSHSS-PVAVHDDUSA-N 1 3 346.475 0.991 20 0 ECADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419915834 209248087 /nfs/dbraw/zinc/24/80/87/209248087.db2.gz PVSLWLRENQYLPX-CVEARBPZSA-N 1 3 336.480 0.579 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419913986 209247922 /nfs/dbraw/zinc/24/79/22/209247922.db2.gz NKRKJDFZOXVXAM-JKSUJKDBSA-N 1 3 332.448 0.745 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419908935 209245784 /nfs/dbraw/zinc/24/57/84/209245784.db2.gz FOAIQWDLTKUFHI-GOEBONIOSA-N 1 3 332.448 0.603 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419908935 209245789 /nfs/dbraw/zinc/24/57/89/209245789.db2.gz FOAIQWDLTKUFHI-GOEBONIOSA-N 1 3 332.448 0.603 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000419904640 209244495 /nfs/dbraw/zinc/24/44/95/209244495.db2.gz YAJQKONICQMYPR-KRWDZBQOSA-N 1 3 346.475 0.753 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419892215 209241452 /nfs/dbraw/zinc/24/14/52/209241452.db2.gz KLQBNLMYVASVAY-ZDUSSCGKSA-N 1 3 338.477 0.507 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000419832103 209216226 /nfs/dbraw/zinc/21/62/26/209216226.db2.gz RMQDTUWSVHSZEY-ZBFHGGJFSA-N 1 3 332.448 0.651 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000419778281 209202860 /nfs/dbraw/zinc/20/28/60/209202860.db2.gz OMMWFWAPOPSHDE-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000419769975 209201513 /nfs/dbraw/zinc/20/15/13/209201513.db2.gz FEBLOUIAVVBUOG-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419726592 209189457 /nfs/dbraw/zinc/18/94/57/209189457.db2.gz UZHWYTLIBZHKIZ-HNNXBMFYSA-N 1 3 346.475 0.739 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419667803 209165570 /nfs/dbraw/zinc/16/55/70/209165570.db2.gz STYGCVJZFOZZBZ-CQSZACIVSA-N 1 3 326.485 0.858 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000419653577 209158312 /nfs/dbraw/zinc/15/83/12/209158312.db2.gz YRHCDZHXUZLRAF-UHFFFAOYSA-N 1 3 332.448 0.562 20 0 ECADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000419656537 209160072 /nfs/dbraw/zinc/16/00/72/209160072.db2.gz UZMVPAMOARZRNB-CYBMUJFWSA-N 1 3 332.448 0.568 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419654473 209159329 /nfs/dbraw/zinc/15/93/29/209159329.db2.gz GNLDVVNPRVEDMT-DOTOQJQBSA-N 1 3 346.475 0.881 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419643732 209155081 /nfs/dbraw/zinc/15/50/81/209155081.db2.gz NMZODNZBZPBOMJ-IRXDYDNUSA-N 1 3 344.459 0.432 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419644372 209154620 /nfs/dbraw/zinc/15/46/20/209154620.db2.gz NWYCFDVQIZTDKX-CVEARBPZSA-N 1 3 332.448 0.751 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000419541036 209120608 /nfs/dbraw/zinc/12/06/08/209120608.db2.gz BSYSZDOWSIFEKV-GXTWGEPZSA-N 1 3 338.477 0.583 20 0 ECADHO CC(CC(=O)NC[C@H]1CCCN1C)CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000444268680 211064819 /nfs/dbraw/zinc/06/48/19/211064819.db2.gz OGLHJYUYOZKNCH-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CC(CC(=O)NC[C@H]1CCCN1C)CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000444268680 211064815 /nfs/dbraw/zinc/06/48/15/211064815.db2.gz OGLHJYUYOZKNCH-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000357072535 299511212 /nfs/dbraw/zinc/51/12/12/299511212.db2.gz HJEWHDKAHZJTDS-RHSMWYFYSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1CN1CCCC1 ZINC000433391751 296306705 /nfs/dbraw/zinc/30/67/05/296306705.db2.gz WZOGCGGAUARNMU-CABCVRRESA-N 1 3 332.452 0.903 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1=O ZINC000429182328 210303101 /nfs/dbraw/zinc/30/31/01/210303101.db2.gz MLTUPJBSICQEQU-FPCVCCKLSA-N 1 3 336.480 0.515 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000418528341 208819677 /nfs/dbraw/zinc/81/96/77/208819677.db2.gz RHJZNRCKAGUTHF-HNNXBMFYSA-N 1 3 326.485 0.768 20 0 ECADHO CN1CC[C@@](O)(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000496126978 255073704 /nfs/dbraw/zinc/07/37/04/255073704.db2.gz VKXVTFNRESSNHF-MRXNPFEDSA-N 1 3 341.456 0.130 20 0 ECADHO CCOC(=O)N1CCC(NC(=O)CN2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000496924413 255142684 /nfs/dbraw/zinc/14/26/84/255142684.db2.gz UJOWBKRFIXLHLZ-AWEZNQCLSA-N 1 3 340.468 0.784 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@H](C)[C@H]2C)CC1=O ZINC000262851496 285255082 /nfs/dbraw/zinc/25/50/82/285255082.db2.gz ZQPYTKNPSAKKOF-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@H](C)[C@H]2C)CC1=O ZINC000262851496 285255085 /nfs/dbraw/zinc/25/50/85/285255085.db2.gz ZQPYTKNPSAKKOF-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419166957 209009117 /nfs/dbraw/zinc/00/91/17/209009117.db2.gz OTTUKGFXLNPQMT-GDBMZVCRSA-N 1 3 334.464 0.723 20 0 ECADHO CC(C)([NH3+])CNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419185495 209016351 /nfs/dbraw/zinc/01/63/51/209016351.db2.gz GZHVWCCXVMMAHN-UHFFFAOYSA-N 1 3 346.475 0.663 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NCCC[NH3+])CC1 ZINC000419198143 209020766 /nfs/dbraw/zinc/02/07/66/209020766.db2.gz YMPUYWNPLHDRMV-UHFFFAOYSA-N 1 3 332.448 0.541 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000419204686 209022961 /nfs/dbraw/zinc/02/29/61/209022961.db2.gz IXMFAVWHWAJFSE-INIZCTEOSA-N 1 3 348.447 0.097 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000419215285 209029117 /nfs/dbraw/zinc/02/91/17/209029117.db2.gz NZJDHTLETMEQCJ-OAHLLOKOSA-N 1 3 348.447 0.111 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC[NH2+]1 ZINC000419235047 209037317 /nfs/dbraw/zinc/03/73/17/209037317.db2.gz YMRLUAIQEGXLQE-BMFZPTHFSA-N 1 3 336.480 0.624 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)NCCCN1CCc2ccccc2C1)C1CC1 ZINC000419421073 209090394 /nfs/dbraw/zinc/09/03/94/209090394.db2.gz KTNTVXJUJVTNLB-KRWDZBQOSA-N 1 3 344.459 0.405 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C(=O)NCCN)cc2)C1 ZINC000419345599 209064348 /nfs/dbraw/zinc/06/43/48/209064348.db2.gz UFWBVDBMGSLXBU-HUUCEWRRSA-N 1 3 346.475 0.856 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000419415144 209087894 /nfs/dbraw/zinc/08/78/94/209087894.db2.gz USYIWQQTPZFQLR-HNNXBMFYSA-N 1 3 338.496 0.683 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419362268 209070052 /nfs/dbraw/zinc/07/00/52/209070052.db2.gz BQFLBUKDOPFLQS-UHFFFAOYSA-N 1 3 344.459 0.070 20 0 ECADHO CCCN1CCC([NH2+]CCNS(=O)(=O)Cc2ccon2)CC1 ZINC000162327445 545856427 /nfs/dbraw/zinc/85/64/27/545856427.db2.gz IOHSUZGTUIQATH-UHFFFAOYSA-N 1 3 330.454 0.558 20 0 ECADHO CC(C)C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000081395403 296626954 /nfs/dbraw/zinc/62/69/54/296626954.db2.gz BOIYGTJMWLEXFA-CABCVRRESA-N 1 3 326.485 0.489 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324782 292372751 /nfs/dbraw/zinc/37/27/51/292372751.db2.gz HPORXZOTWMRHPZ-GJZGRUSLSA-N 1 3 333.498 0.264 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262759054 165383943 /nfs/dbraw/zinc/38/39/43/165383943.db2.gz FLMDGUAHOIHSAK-MRXNPFEDSA-N 1 3 348.447 0.815 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000419377677 209074157 /nfs/dbraw/zinc/07/41/57/209074157.db2.gz VFEYIONMNCXZEY-OAHLLOKOSA-N 1 3 326.485 0.585 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)[C@H]1C[NH3+] ZINC000423718841 287324055 /nfs/dbraw/zinc/32/40/55/287324055.db2.gz CGWFLOQFRUWYTO-PMPSAXMXSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(C)(C)C[NH+](C)C ZINC000085290700 263142985 /nfs/dbraw/zinc/14/29/85/263142985.db2.gz AGPAJFDCEJHICJ-KGLIPLIRSA-N 1 3 326.485 0.489 20 0 ECADHO CC(C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000175121576 263151668 /nfs/dbraw/zinc/15/16/68/263151668.db2.gz SVXFUGDIJAGXEE-ZDUSSCGKSA-N 1 3 332.466 0.523 20 0 ECADHO CC[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418324402 276265892 /nfs/dbraw/zinc/26/58/92/276265892.db2.gz GXWSTZODPAFBCJ-IRXDYDNUSA-N 1 3 334.464 0.778 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417989759 277031106 /nfs/dbraw/zinc/03/11/06/277031106.db2.gz JPDCFIIJDHQTPP-YOEHRIQHSA-N 1 3 334.464 0.908 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000418973100 277295398 /nfs/dbraw/zinc/29/53/98/277295398.db2.gz ZVBXPQCPHIRAEB-GOEBONIOSA-N 1 3 332.448 0.443 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NCCN1CCC(C)CC1)C(C)C ZINC000340206501 437597165 /nfs/dbraw/zinc/59/71/65/437597165.db2.gz OADFAWNCWBSNQF-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NCCN1CCC(C)CC1)C(C)C ZINC000340206501 437597168 /nfs/dbraw/zinc/59/71/68/437597168.db2.gz OADFAWNCWBSNQF-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419032485 278188865 /nfs/dbraw/zinc/18/88/65/278188865.db2.gz WTLWVFUFFMGFOJ-OAGGEKHMSA-N 1 3 338.496 0.810 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000459912732 279148170 /nfs/dbraw/zinc/14/81/70/279148170.db2.gz BKZUWBWODONBJL-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000459912730 279166216 /nfs/dbraw/zinc/16/62/16/279166216.db2.gz BKZUWBWODONBJL-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419076235 280247991 /nfs/dbraw/zinc/24/79/91/280247991.db2.gz GZARAUNIPGDMKN-XHSDSOJGSA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419072530 280248434 /nfs/dbraw/zinc/24/84/34/280248434.db2.gz BIRFEGGQTMQJGV-ARFHVFGLSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000418869062 288217086 /nfs/dbraw/zinc/21/70/86/288217086.db2.gz REXNTGNOASJGGG-AWEZNQCLSA-N 1 3 338.496 0.953 20 0 ECADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC000417317390 280985236 /nfs/dbraw/zinc/98/52/36/280985236.db2.gz WNSIBZNPEJTYDN-SJORKVTESA-N 1 3 333.480 0.801 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000436281537 288944749 /nfs/dbraw/zinc/94/47/49/288944749.db2.gz GPPMHOFYVFRUNB-RDTXWAMCSA-N 1 3 336.480 0.435 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC(C)(C)CC[NH3+] ZINC000422596863 289019232 /nfs/dbraw/zinc/01/92/32/289019232.db2.gz IGQHMTXEHAOMGZ-CYBMUJFWSA-N 1 3 327.473 0.356 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000420324119 289353359 /nfs/dbraw/zinc/35/33/59/289353359.db2.gz ZDXBNJLYYNHTOP-RCCFBDPRSA-N 1 3 330.476 0.947 20 0 ECADHO NC[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000331871194 296976408 /nfs/dbraw/zinc/97/64/08/296976408.db2.gz MZDTWIRQGPBCNG-INIZCTEOSA-N 1 3 336.480 0.849 20 0 ECADHO CCN1CCN(CC(=O)NCCCC[NH+]2CCN(CC)CC2)CC1 ZINC000343656911 437617127 /nfs/dbraw/zinc/61/71/27/437617127.db2.gz JSODKPARUREADS-UHFFFAOYSA-N 1 3 339.528 0.158 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000332202562 297016356 /nfs/dbraw/zinc/01/63/56/297016356.db2.gz STTCQOQTZNAOKG-UAGQMJEPSA-N 1 3 337.512 0.781 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000332307317 297029164 /nfs/dbraw/zinc/02/91/64/297029164.db2.gz LTXVZMPKJDVZJT-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332477234 297043439 /nfs/dbraw/zinc/04/34/39/297043439.db2.gz LOOVSYSHZJPQFN-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332477234 297043440 /nfs/dbraw/zinc/04/34/40/297043440.db2.gz LOOVSYSHZJPQFN-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332674000 297064390 /nfs/dbraw/zinc/06/43/90/297064390.db2.gz NPQPQPAVRMWTPK-HRCADAONSA-N 1 3 336.480 0.802 20 0 ECADHO N[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000419928313 295294600 /nfs/dbraw/zinc/29/46/00/295294600.db2.gz KWRFGFCHQKGTFM-SJORKVTESA-N 1 3 344.459 0.889 20 0 ECADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000420135359 295634849 /nfs/dbraw/zinc/63/48/49/295634849.db2.gz GZMPODZQWDDUTM-MRXNPFEDSA-N 1 3 334.464 0.499 20 0 ECADHO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)[C@@H](C)C1 ZINC000333250323 297120964 /nfs/dbraw/zinc/12/09/64/297120964.db2.gz CKQQMYHEVTYDGY-ZFWWWQNUSA-N 1 3 347.467 0.736 20 0 ECADHO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)[C@@H](C)C1 ZINC000333250323 297120966 /nfs/dbraw/zinc/12/09/66/297120966.db2.gz CKQQMYHEVTYDGY-ZFWWWQNUSA-N 1 3 347.467 0.736 20 0 ECADHO O=S(=O)([C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1)N1CCOCC1 ZINC000333483676 297137483 /nfs/dbraw/zinc/13/74/83/297137483.db2.gz CJKKRFVWUCDKRJ-JKSUJKDBSA-N 1 3 345.509 0.503 20 0 ECADHO N[C@H]1Cc2ccccc2N(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000333602686 297144358 /nfs/dbraw/zinc/14/43/58/297144358.db2.gz QRRURPVTDFTPJG-KBPBESRZSA-N 1 3 326.404 0.733 20 0 ECADHO C[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCC(C)CC1 ZINC000333849224 297152185 /nfs/dbraw/zinc/15/21/85/297152185.db2.gz WWVKBETUHTXEEL-SJORKVTESA-N 1 3 337.512 0.796 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1CCN(C)CC1 ZINC000333928568 297155869 /nfs/dbraw/zinc/15/58/69/297155869.db2.gz XMNSXMMXUMDWBJ-PMPSAXMXSA-N 1 3 325.501 0.556 20 0 ECADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000333929864 297155950 /nfs/dbraw/zinc/15/59/50/297155950.db2.gz YQAJGOHUKVYWRD-INIZCTEOSA-N 1 3 330.432 0.645 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000337129024 297181209 /nfs/dbraw/zinc/18/12/09/297181209.db2.gz IOHBQAXRGGNJTI-SJORKVTESA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000337129024 297181211 /nfs/dbraw/zinc/18/12/11/297181211.db2.gz IOHBQAXRGGNJTI-SJORKVTESA-N 1 3 337.512 0.938 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000338528893 297275880 /nfs/dbraw/zinc/27/58/80/297275880.db2.gz BPEMEPBLRPRUHI-LSDHHAIUSA-N 1 3 341.500 0.569 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000339613388 297364198 /nfs/dbraw/zinc/36/41/98/297364198.db2.gz DNPHKDMFJIWOFR-HUUCEWRRSA-N 1 3 326.485 0.820 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)CCN1CCCC1)C(C)C ZINC000339616054 297364906 /nfs/dbraw/zinc/36/49/06/297364906.db2.gz UJJCCUUEFVDLOS-UHFFFAOYSA-N 1 3 326.485 0.776 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000339634967 297366642 /nfs/dbraw/zinc/36/66/42/297366642.db2.gz MOJJPBDTXHVJNE-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)C1=CCN(C)CC1 ZINC000343675956 437623765 /nfs/dbraw/zinc/62/37/65/437623765.db2.gz NSTRTOFWWYRYMO-CQSZACIVSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)C1=CCN(C)CC1 ZINC000343675956 437623769 /nfs/dbraw/zinc/62/37/69/437623769.db2.gz NSTRTOFWWYRYMO-CQSZACIVSA-N 1 3 336.480 0.744 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000343440753 297878446 /nfs/dbraw/zinc/87/84/46/297878446.db2.gz QSHCGMUPTSEYNC-QLFBSQMISA-N 1 3 337.395 0.668 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344434662 298019521 /nfs/dbraw/zinc/01/95/21/298019521.db2.gz LCQZHQGWMHCDOP-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000345142256 298120709 /nfs/dbraw/zinc/12/07/09/298120709.db2.gz AAPBSSZUIWSDML-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000345142256 298120713 /nfs/dbraw/zinc/12/07/13/298120713.db2.gz AAPBSSZUIWSDML-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000346540107 298290354 /nfs/dbraw/zinc/29/03/54/298290354.db2.gz WYUHKQQBJBBSLY-DZGCQCFKSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000346540110 298290560 /nfs/dbraw/zinc/29/05/60/298290560.db2.gz WYUHKQQBJBBSLY-HIFRSBDPSA-N 1 3 336.480 0.528 20 0 ECADHO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC2CC[NH2+]CC2)C1 ZINC000346830125 298351190 /nfs/dbraw/zinc/35/11/90/298351190.db2.gz JTJNVZOKHLZJQO-HNNXBMFYSA-N 1 3 325.453 0.720 20 0 ECADHO O=C(CCOC1CNC1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000348985777 298640821 /nfs/dbraw/zinc/64/08/21/298640821.db2.gz ARFRIGRUADYBAO-UHFFFAOYSA-N 1 3 325.453 0.516 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000353261585 299029402 /nfs/dbraw/zinc/02/94/02/299029402.db2.gz KYFZFVIOMGCKNZ-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000353261585 299029404 /nfs/dbraw/zinc/02/94/04/299029404.db2.gz KYFZFVIOMGCKNZ-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353312266 299036201 /nfs/dbraw/zinc/03/62/01/299036201.db2.gz GVKYTOFYKAEAKT-UHFFFAOYSA-N 1 3 327.517 0.997 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353312266 299036203 /nfs/dbraw/zinc/03/62/03/299036203.db2.gz GVKYTOFYKAEAKT-UHFFFAOYSA-N 1 3 327.517 0.997 20 0 ECADHO C[C@H](CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[N@H+](C)C1CC1 ZINC000361539967 300106199 /nfs/dbraw/zinc/10/61/99/300106199.db2.gz UEENETWYBIYNMV-WBVHZDCISA-N 1 3 337.512 0.891 20 0 ECADHO C[C@H](CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[N@@H+](C)C1CC1 ZINC000361539967 300106203 /nfs/dbraw/zinc/10/62/03/300106203.db2.gz UEENETWYBIYNMV-WBVHZDCISA-N 1 3 337.512 0.891 20 0 ECADHO CCO[C@H]1COCC[C@H]1NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362013576 300153077 /nfs/dbraw/zinc/15/30/77/300153077.db2.gz JRDVYUCTZAANHJ-CVEARBPZSA-N 1 3 325.453 0.513 20 0 ECADHO CC[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CCN1C[C@@H](C)O ZINC000362564473 300199347 /nfs/dbraw/zinc/19/93/47/300199347.db2.gz LBBXPKLCHNJLCN-HZSPNIEDSA-N 1 3 335.452 0.404 20 0 ECADHO COCC[NH+]1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000364218156 300337036 /nfs/dbraw/zinc/33/70/36/300337036.db2.gz WSYBTUDQWSMHMF-RLFYNMQTSA-N 1 3 339.480 0.746 20 0 ECADHO O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H]1C[C@@H](O)CN1 ZINC000370785575 300861371 /nfs/dbraw/zinc/86/13/71/300861371.db2.gz FOICUPRDBKGHRV-HIFRSBDPSA-N 1 3 333.388 0.257 20 0 ECADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N(C)C1CC1 ZINC000074345481 436123896 /nfs/dbraw/zinc/12/38/96/436123896.db2.gz UXAPQOSIWPDVHS-KBPBESRZSA-N 1 3 339.484 0.356 20 0 ECADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N(C)C1CC1 ZINC000074345481 436123898 /nfs/dbraw/zinc/12/38/98/436123898.db2.gz UXAPQOSIWPDVHS-KBPBESRZSA-N 1 3 339.484 0.356 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000372896559 301035144 /nfs/dbraw/zinc/03/51/44/301035144.db2.gz FBMBUXMAYCWOLF-ATNYBXOESA-N 1 3 341.496 0.992 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000376197090 301241980 /nfs/dbraw/zinc/24/19/80/301241980.db2.gz NTWPSSWIXCUGPJ-PMPSAXMXSA-N 1 3 326.485 0.957 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)NCC2CC[NH+](CCN(C)C)CC2)C1 ZINC000376647392 301279141 /nfs/dbraw/zinc/27/91/41/301279141.db2.gz WVCNTLYICGQAKA-QGZVFWFLSA-N 1 3 340.512 0.485 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)NCC2CCN(CC[NH+](C)C)CC2)C1 ZINC000376647392 301279142 /nfs/dbraw/zinc/27/91/42/301279142.db2.gz WVCNTLYICGQAKA-QGZVFWFLSA-N 1 3 340.512 0.485 20 0 ECADHO C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000077774331 436252840 /nfs/dbraw/zinc/25/28/40/436252840.db2.gz NNFNHYVXWUUPJA-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000077774331 436252843 /nfs/dbraw/zinc/25/28/43/436252843.db2.gz NNFNHYVXWUUPJA-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1CCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000515408554 301641066 /nfs/dbraw/zinc/64/10/66/301641066.db2.gz BQRNEJCLDOTTFF-CABCVRRESA-N 1 3 326.485 0.491 20 0 ECADHO C[C@@H](CNC(=O)Nc1cnc(N2CCNCC2)nc1)C[NH+]1CCCC1 ZINC000516259789 301661791 /nfs/dbraw/zinc/66/17/91/301661791.db2.gz LKHMUUBOUSLQGK-AWEZNQCLSA-N 1 3 347.467 0.740 20 0 ECADHO COCCCNC(=O)[C@@H](C)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000518381581 301724496 /nfs/dbraw/zinc/72/44/96/301724496.db2.gz WTWLIKKAVVOUPI-IAGOWNOFSA-N 1 3 340.512 0.535 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000109168153 436623478 /nfs/dbraw/zinc/62/34/78/436623478.db2.gz TYZHFNHZACDUIM-NVXWUHKLSA-N 1 3 338.496 0.863 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000109168153 436623481 /nfs/dbraw/zinc/62/34/81/436623481.db2.gz TYZHFNHZACDUIM-NVXWUHKLSA-N 1 3 338.496 0.863 20 0 ECADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000547296976 302253711 /nfs/dbraw/zinc/25/37/11/302253711.db2.gz KPFLMUCQNNCCIL-YOEHRIQHSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000547296976 302253715 /nfs/dbraw/zinc/25/37/15/302253715.db2.gz KPFLMUCQNNCCIL-YOEHRIQHSA-N 1 3 326.485 0.863 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000550909518 302351050 /nfs/dbraw/zinc/35/10/50/302351050.db2.gz AANXEZBRIXNLSH-UHFFFAOYSA-N 1 3 334.464 0.775 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000551039400 302352597 /nfs/dbraw/zinc/35/25/97/302352597.db2.gz PMOHOSXAXPSESU-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CCCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551720018 302361230 /nfs/dbraw/zinc/36/12/30/302361230.db2.gz SOHUIENFTFHJIF-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)[C@H]2CCC[C@H]21 ZINC000552043895 302382789 /nfs/dbraw/zinc/38/27/89/302382789.db2.gz FQTLJWZMUQYHCY-QLFBSQMISA-N 1 3 342.465 0.556 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000245605707 436766947 /nfs/dbraw/zinc/76/69/47/436766947.db2.gz KAHNXPLFQBGDQZ-QZTJIDSGSA-N 1 3 343.512 0.501 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000245605707 436766950 /nfs/dbraw/zinc/76/69/50/436766950.db2.gz KAHNXPLFQBGDQZ-QZTJIDSGSA-N 1 3 343.512 0.501 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCNC2=O)[C@@H](C)C1 ZINC000249282683 436817897 /nfs/dbraw/zinc/81/78/97/436817897.db2.gz LDUDYSNSIAFWAY-KBPBESRZSA-N 1 3 326.441 0.265 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000248060987 436799229 /nfs/dbraw/zinc/79/92/29/436799229.db2.gz PBYBQCJHAGKVPI-NVXWUHKLSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H](CNC(=O)CN(C)[C@@H]1CCSC1)C[NH+]1CCN(C)CC1 ZINC000155874555 436805887 /nfs/dbraw/zinc/80/58/87/436805887.db2.gz HUZVXVXMEVOXOE-HUUCEWRRSA-N 1 3 328.526 0.423 20 0 ECADHO CN1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000171191283 436971251 /nfs/dbraw/zinc/97/12/51/436971251.db2.gz RFVZVURSWQQSNK-KRWDZBQOSA-N 1 3 337.512 0.938 20 0 ECADHO N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000262661495 436940159 /nfs/dbraw/zinc/94/01/59/436940159.db2.gz YJUFWSMZSGJHLH-QGZVFWFLSA-N 1 3 344.459 0.323 20 0 ECADHO COC[C@@H](O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984213 437034744 /nfs/dbraw/zinc/03/47/44/437034744.db2.gz NXIPPQFKHBATPA-HNNXBMFYSA-N 1 3 329.485 0.410 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173954878 437071328 /nfs/dbraw/zinc/07/13/28/437071328.db2.gz OOAIQDPNCSISKP-CQSZACIVSA-N 1 3 338.456 0.677 20 0 ECADHO CC1(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC[NH2+]CC1 ZINC000331493882 437107361 /nfs/dbraw/zinc/10/73/61/437107361.db2.gz AUYVIRNWEFAJIZ-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000419900257 303457942 /nfs/dbraw/zinc/45/79/42/303457942.db2.gz SBNWCCWYBICYKA-OAGGEKHMSA-N 1 3 336.480 0.849 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000331569108 437121514 /nfs/dbraw/zinc/12/15/14/437121514.db2.gz VBERDIKOECXWNS-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000331569108 437121520 /nfs/dbraw/zinc/12/15/20/437121520.db2.gz VBERDIKOECXWNS-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000331632709 437132946 /nfs/dbraw/zinc/13/29/46/437132946.db2.gz LZTKSXUXNGQUIA-UONOGXRCSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000331632709 437132952 /nfs/dbraw/zinc/13/29/52/437132952.db2.gz LZTKSXUXNGQUIA-UONOGXRCSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000331632709 437132956 /nfs/dbraw/zinc/13/29/56/437132956.db2.gz LZTKSXUXNGQUIA-UONOGXRCSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)[C@](C)(CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000265687843 437175995 /nfs/dbraw/zinc/17/59/95/437175995.db2.gz MELZVAXIEAEANJ-LJKPQDHDSA-N 1 3 338.496 0.869 20 0 ECADHO CC(C)[C@](C)(CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000265687843 437176000 /nfs/dbraw/zinc/17/60/00/437176000.db2.gz MELZVAXIEAEANJ-LJKPQDHDSA-N 1 3 338.496 0.869 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)CNCCOC)CC1 ZINC000178873986 437235249 /nfs/dbraw/zinc/23/52/49/437235249.db2.gz LSTBHGMYIOLUJG-UHFFFAOYSA-N 1 3 348.491 0.676 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)C[NH2+]CCOC)CC1 ZINC000178873986 437235251 /nfs/dbraw/zinc/23/52/51/437235251.db2.gz LSTBHGMYIOLUJG-UHFFFAOYSA-N 1 3 348.491 0.676 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000336715070 437296135 /nfs/dbraw/zinc/29/61/35/437296135.db2.gz SPWMTHHBVBJHGE-QGZVFWFLSA-N 1 3 334.464 0.724 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000336715070 437296139 /nfs/dbraw/zinc/29/61/39/437296139.db2.gz SPWMTHHBVBJHGE-QGZVFWFLSA-N 1 3 334.464 0.724 20 0 ECADHO C[C@H]1CCC[N@@H+](CCNC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000182335170 437345700 /nfs/dbraw/zinc/34/57/00/437345700.db2.gz YTUOILNJZABPGM-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CCN1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182408269 437348622 /nfs/dbraw/zinc/34/86/22/437348622.db2.gz VPZUTYUNUXEWAM-HOTGVXAUSA-N 1 3 331.526 0.959 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000182692146 437358583 /nfs/dbraw/zinc/35/85/83/437358583.db2.gz BFBZQRJRTVCIBD-UHFFFAOYSA-N 1 3 339.528 0.997 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 ZINC000185203637 437429574 /nfs/dbraw/zinc/42/95/74/437429574.db2.gz KHEFHYOPBVZNML-ZIAGYGMSSA-N 1 3 326.441 0.265 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 ZINC000185203637 437429578 /nfs/dbraw/zinc/42/95/78/437429578.db2.gz KHEFHYOPBVZNML-ZIAGYGMSSA-N 1 3 326.441 0.265 20 0 ECADHO C[C@H](C(=O)NC(C)(C)CCN1CCN(C)CC1)N1CCSCC1 ZINC000184196808 437398831 /nfs/dbraw/zinc/39/88/31/437398831.db2.gz AZLZWIRSLHBBEI-OAHLLOKOSA-N 1 3 342.553 0.956 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000185493738 437441738 /nfs/dbraw/zinc/44/17/38/437441738.db2.gz AJSICGLBSTXEQH-HNNXBMFYSA-N 1 3 337.512 0.938 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000290131838 437465875 /nfs/dbraw/zinc/46/58/75/437465875.db2.gz ZNQULWZUHFBOPD-OAHLLOKOSA-N 1 3 334.420 0.695 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC000187015123 437492086 /nfs/dbraw/zinc/49/20/86/437492086.db2.gz FZHRBIADOAZASG-RDBSUJKOSA-N 1 3 328.457 0.557 20 0 ECADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000343424344 437578962 /nfs/dbraw/zinc/57/89/62/437578962.db2.gz IKTJOBSFUCSEMX-MSOLQXFVSA-N 1 3 349.523 0.005 20 0 ECADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000343424344 437578965 /nfs/dbraw/zinc/57/89/65/437578965.db2.gz IKTJOBSFUCSEMX-MSOLQXFVSA-N 1 3 349.523 0.005 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340443194 437648199 /nfs/dbraw/zinc/64/81/99/437648199.db2.gz FMCLWLKKIHIBBH-MRXNPFEDSA-N 1 3 344.525 0.388 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340443194 437648203 /nfs/dbraw/zinc/64/82/03/437648203.db2.gz FMCLWLKKIHIBBH-MRXNPFEDSA-N 1 3 344.525 0.388 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340482893 437663650 /nfs/dbraw/zinc/66/36/50/437663650.db2.gz GGSYFQFPDYOQMS-HRCADAONSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340482893 437663657 /nfs/dbraw/zinc/66/36/57/437663657.db2.gz GGSYFQFPDYOQMS-HRCADAONSA-N 1 3 336.480 0.720 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000344010059 437716609 /nfs/dbraw/zinc/71/66/09/437716609.db2.gz KYKCBMYHTKZBIE-IAGOWNOFSA-N 1 3 338.496 0.336 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C[C@H]1[NH3+] ZINC000423605565 437774355 /nfs/dbraw/zinc/77/43/55/437774355.db2.gz HAFLXTAJMYZGSI-TZMCWYRMSA-N 1 3 338.477 0.444 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000415266281 437769941 /nfs/dbraw/zinc/76/99/41/437769941.db2.gz GOCYEUSYHGOCHJ-CYBMUJFWSA-N 1 3 334.420 0.515 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)CN2CCOCC2)C1 ZINC000355729822 437726918 /nfs/dbraw/zinc/72/69/18/437726918.db2.gz GIDTYKILJYWGPN-SJORKVTESA-N 1 3 329.485 0.112 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000362884113 437760238 /nfs/dbraw/zinc/76/02/38/437760238.db2.gz HHNANDWAHYJJMZ-XHSDSOJGSA-N 1 3 346.479 1.393 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000362884113 437760240 /nfs/dbraw/zinc/76/02/40/437760240.db2.gz HHNANDWAHYJJMZ-XHSDSOJGSA-N 1 3 346.479 1.393 20 0 ECADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423610044 437776771 /nfs/dbraw/zinc/77/67/71/437776771.db2.gz MKWBMLLAAZYBNP-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423610044 437776776 /nfs/dbraw/zinc/77/67/76/437776776.db2.gz MKWBMLLAAZYBNP-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000423696343 437805873 /nfs/dbraw/zinc/80/58/73/437805873.db2.gz WZUAGWQTNLPBIC-KRWDZBQOSA-N 1 3 346.475 0.774 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000423696343 437805877 /nfs/dbraw/zinc/80/58/77/437805877.db2.gz WZUAGWQTNLPBIC-KRWDZBQOSA-N 1 3 346.475 0.774 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2cccnc2)C1 ZINC000347192373 437850434 /nfs/dbraw/zinc/85/04/34/437850434.db2.gz FYHJCPSKZNLEKB-AWEZNQCLSA-N 1 3 328.420 0.759 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415747984 437853563 /nfs/dbraw/zinc/85/35/63/437853563.db2.gz PFKJGNUMFLEIIK-GJZGRUSLSA-N 1 3 330.432 0.755 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415948515 437881919 /nfs/dbraw/zinc/88/19/19/437881919.db2.gz CVTQKSUOVAURRT-UHFFFAOYSA-N 1 3 335.456 0.740 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415948515 437881924 /nfs/dbraw/zinc/88/19/24/437881924.db2.gz CVTQKSUOVAURRT-UHFFFAOYSA-N 1 3 335.456 0.740 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]([NH3+])Cc3ccccc32)CC1=O ZINC000424081586 437886264 /nfs/dbraw/zinc/88/62/64/437886264.db2.gz VUMATVSMTHIVTA-HUUCEWRRSA-N 1 3 330.432 0.313 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000371270323 437907469 /nfs/dbraw/zinc/90/74/69/437907469.db2.gz DRPOTZLBABPWGE-HOCLYGCPSA-N 1 3 348.495 0.614 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000371271088 437908927 /nfs/dbraw/zinc/90/89/27/437908927.db2.gz MHABFCAGMALXMG-CABCVRRESA-N 1 3 348.495 0.614 20 0 ECADHO CN(C)[C@@H]1CCC[C@@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000357237103 437939568 /nfs/dbraw/zinc/93/95/68/437939568.db2.gz GGAOJXPPWXHLBI-CHWSQXEVSA-N 1 3 331.482 0.142 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000342025036 437947488 /nfs/dbraw/zinc/94/74/88/437947488.db2.gz RLWHUCJZSSQNMW-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000342025036 437947490 /nfs/dbraw/zinc/94/74/90/437947490.db2.gz RLWHUCJZSSQNMW-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000342025035 437948135 /nfs/dbraw/zinc/94/81/35/437948135.db2.gz RLWHUCJZSSQNMW-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000342025035 437948139 /nfs/dbraw/zinc/94/81/39/437948139.db2.gz RLWHUCJZSSQNMW-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)[C@H](C)C1 ZINC000342070444 437959927 /nfs/dbraw/zinc/95/99/27/437959927.db2.gz FHECSYVAFLGPOD-FMKPAKJESA-N 1 3 338.496 0.774 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)[C@H](C)C1 ZINC000342070444 437959932 /nfs/dbraw/zinc/95/99/32/437959932.db2.gz FHECSYVAFLGPOD-FMKPAKJESA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N(C)C1CC1 ZINC000342101796 437965725 /nfs/dbraw/zinc/96/57/25/437965725.db2.gz GXCDDGFABBBJSW-KBPBESRZSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)N(C)C1CC1 ZINC000342102699 437966337 /nfs/dbraw/zinc/96/63/37/437966337.db2.gz GXCDDGFABBBJSW-ZIAGYGMSSA-N 1 3 338.496 0.774 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424531504 437968302 /nfs/dbraw/zinc/96/83/02/437968302.db2.gz XBABYXMPVADJOC-GVDBMIGSSA-N 1 3 342.443 0.197 20 0 ECADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417432803 438048572 /nfs/dbraw/zinc/04/85/72/438048572.db2.gz UCPLDADUBHCGFO-MELADBBJSA-N 1 3 325.457 0.060 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000417419228 438048699 /nfs/dbraw/zinc/04/86/99/438048699.db2.gz CRIFHOZOIQLOSN-HUUCEWRRSA-N 1 3 339.484 0.323 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417428370 438049113 /nfs/dbraw/zinc/04/91/13/438049113.db2.gz KVDMMCOMTIKTCJ-KBPBESRZSA-N 1 3 327.473 0.212 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000416969726 438009367 /nfs/dbraw/zinc/00/93/67/438009367.db2.gz LHEGPRBXGJQBAW-INIZCTEOSA-N 1 3 336.436 0.415 20 0 ECADHO CCN1CCN(CCC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000342949492 438092610 /nfs/dbraw/zinc/09/26/10/438092610.db2.gz DGBSDKIYAPZGBB-QGZVFWFLSA-N 1 3 340.512 0.367 20 0 ECADHO CCN1CCN(CCC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000342949492 438092614 /nfs/dbraw/zinc/09/26/14/438092614.db2.gz DGBSDKIYAPZGBB-QGZVFWFLSA-N 1 3 340.512 0.367 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1=O ZINC000366556719 438094272 /nfs/dbraw/zinc/09/42/72/438094272.db2.gz QGXBDMZNZKLVOQ-OAGGEKHMSA-N 1 3 348.491 0.578 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417439484 438051614 /nfs/dbraw/zinc/05/16/14/438051614.db2.gz LVRCJMPRPGEZER-OAHLLOKOSA-N 1 3 326.485 0.984 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417438065 438052727 /nfs/dbraw/zinc/05/27/27/438052727.db2.gz IODSGCACZVCTJV-JKSUJKDBSA-N 1 3 342.484 0.493 20 0 ECADHO C[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N(C)C1CC1 ZINC000417549877 438058258 /nfs/dbraw/zinc/05/82/58/438058258.db2.gz KDUUGGKPXYPBGU-ZFWWWQNUSA-N 1 3 339.484 0.498 20 0 ECADHO C[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)CN1CCN(C)CC1 ZINC000417753588 438073240 /nfs/dbraw/zinc/07/32/40/438073240.db2.gz OPVRCXDRUFUAMW-HOCLYGCPSA-N 1 3 325.501 0.687 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)CN1CCN(C)CC1 ZINC000417743056 438074093 /nfs/dbraw/zinc/07/40/93/438074093.db2.gz BVKCIPCPGKGPLK-ULQDDVLXSA-N 1 3 339.528 0.934 20 0 ECADHO CN(C)CCOc1cnccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000366457399 438077300 /nfs/dbraw/zinc/07/73/00/438077300.db2.gz BITJPZBVYKGRSP-MRXNPFEDSA-N 1 3 332.448 0.980 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC(C)C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430264815 438108329 /nfs/dbraw/zinc/10/83/29/438108329.db2.gz XZUWQUDUVSHNJB-QZTJIDSGSA-N 1 3 338.496 0.539 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC(C)C[N@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430264815 438108331 /nfs/dbraw/zinc/10/83/31/438108331.db2.gz XZUWQUDUVSHNJB-QZTJIDSGSA-N 1 3 338.496 0.539 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)NCc2ccncc2OCCN(C)C)C1 ZINC000418193891 438117705 /nfs/dbraw/zinc/11/77/05/438117705.db2.gz OCKYUHKJOWHJDQ-HNNXBMFYSA-N 1 3 335.452 0.915 20 0 ECADHO O=C(NCCCN1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC000418298924 438126913 /nfs/dbraw/zinc/12/69/13/438126913.db2.gz MTSPDZKVGNOTGP-UHFFFAOYSA-N 1 3 337.512 0.942 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]C1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418311756 438130025 /nfs/dbraw/zinc/13/00/25/438130025.db2.gz GCPZXXQHVFRNLZ-PKOBYXMFSA-N 1 3 346.475 0.922 20 0 ECADHO O=C(NCCC[NH2+]Cc1cccnc1)NC[C@H]1CCCCN1CCO ZINC000418331238 438131134 /nfs/dbraw/zinc/13/11/34/438131134.db2.gz QUUTZBVLWCVXKW-QGZVFWFLSA-N 1 3 349.479 0.707 20 0 ECADHO O=C(NCCC[NH2+]Cc1cccnc1)N[C@H]1CCCN(CCCO)C1 ZINC000418328401 438131416 /nfs/dbraw/zinc/13/14/16/438131416.db2.gz NVANPQUTXPGBNH-KRWDZBQOSA-N 1 3 349.479 0.707 20 0 ECADHO O=C(NCCC[NH2+]Cc1cccnc1)NC[C@@H]1CCCCN1CCO ZINC000418330889 438132518 /nfs/dbraw/zinc/13/25/18/438132518.db2.gz QUUTZBVLWCVXKW-KRWDZBQOSA-N 1 3 349.479 0.707 20 0 ECADHO CCS(=O)(=O)NCCCN(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000366854932 438136299 /nfs/dbraw/zinc/13/62/99/438136299.db2.gz RGZCAKLZZPEQPH-UHFFFAOYSA-N 1 3 347.525 0.891 20 0 ECADHO [NH3+]C[C@H](NC(=O)NCC(=O)NCCN1CCCCCC1)C1CC1 ZINC000418390560 438139125 /nfs/dbraw/zinc/13/91/25/438139125.db2.gz BEWYTOLXIKGORU-AWEZNQCLSA-N 1 3 325.457 0.015 20 0 ECADHO CN1CCC(CNC(=O)C[C@H]2CNCCO2)([NH+]2CCCCC2)CC1 ZINC000431017787 438142464 /nfs/dbraw/zinc/14/24/64/438142464.db2.gz SAYVLCWBCZBLFE-INIZCTEOSA-N 1 3 338.496 0.431 20 0 ECADHO [NH3+]C[C@@H](NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000418413266 438143490 /nfs/dbraw/zinc/14/34/90/438143490.db2.gz YWDRONMEPXKFPZ-AEFFLSMTSA-N 1 3 332.448 0.660 20 0 ECADHO N[C@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000418446193 438147155 /nfs/dbraw/zinc/14/71/55/438147155.db2.gz HSWXCPQSJUNUFL-HZPDHXFCSA-N 1 3 347.463 0.716 20 0 ECADHO CN(C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418774928 438186474 /nfs/dbraw/zinc/18/64/74/438186474.db2.gz ZILLWDMVBKCMRF-KRWDZBQOSA-N 1 3 333.480 0.663 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000349930332 438188433 /nfs/dbraw/zinc/18/84/33/438188433.db2.gz FCNUZYKWBYXJSZ-CVEARBPZSA-N 1 3 342.484 0.099 20 0 ECADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000374161441 438191319 /nfs/dbraw/zinc/19/13/19/438191319.db2.gz MHBIILBRKLTKNN-HNNXBMFYSA-N 1 3 336.480 0.518 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000358106062 438153273 /nfs/dbraw/zinc/15/32/73/438153273.db2.gz FDQRBDCPKFRCNO-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000358106062 438153280 /nfs/dbraw/zinc/15/32/80/438153280.db2.gz FDQRBDCPKFRCNO-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418599543 438163505 /nfs/dbraw/zinc/16/35/05/438163505.db2.gz RNIXRSGYRRGQDD-GJZGRUSLSA-N 1 3 339.484 0.180 20 0 ECADHO CN(CC(=O)NCc1ccco1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117483 438167944 /nfs/dbraw/zinc/16/79/44/438167944.db2.gz PQSSODYBAPVDNE-MRXNPFEDSA-N 1 3 334.464 0.996 20 0 ECADHO COC[C@@]1(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CCC[NH2+]1 ZINC000418639079 438170823 /nfs/dbraw/zinc/17/08/23/438170823.db2.gz PFOJAZYCHLGJCU-RDJZCZTQSA-N 1 3 342.484 0.507 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1CN ZINC000418845922 438213130 /nfs/dbraw/zinc/21/31/30/438213130.db2.gz PXAMZMMYLDGBCO-DZGCQCFKSA-N 1 3 338.496 0.951 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000418852280 438219144 /nfs/dbraw/zinc/21/91/44/438219144.db2.gz QODVAPQSBMUUJA-SJORKVTESA-N 1 3 346.475 0.615 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862164 438223243 /nfs/dbraw/zinc/22/32/43/438223243.db2.gz AIBSHOGZUZYHBV-JGGQBBKZSA-N 1 3 336.480 0.609 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862164 438223248 /nfs/dbraw/zinc/22/32/48/438223248.db2.gz AIBSHOGZUZYHBV-JGGQBBKZSA-N 1 3 336.480 0.609 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000418864562 438225214 /nfs/dbraw/zinc/22/52/14/438225214.db2.gz QYQRGFFETBRPKP-HZPDHXFCSA-N 1 3 332.448 0.664 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418871890 438228722 /nfs/dbraw/zinc/22/87/22/438228722.db2.gz FLYKRTCXZWPFLT-IKGGRYGDSA-N 1 3 346.475 0.519 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000418872603 438230752 /nfs/dbraw/zinc/23/07/52/438230752.db2.gz WXYOIEGXTYGYTE-ZFWWWQNUSA-N 1 3 338.496 0.857 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433399321 438245258 /nfs/dbraw/zinc/24/52/58/438245258.db2.gz NZPLMLWVNNCGGG-HZPDHXFCSA-N 1 3 342.484 0.507 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433399321 438245260 /nfs/dbraw/zinc/24/52/60/438245260.db2.gz NZPLMLWVNNCGGG-HZPDHXFCSA-N 1 3 342.484 0.507 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H]1CN ZINC000418813592 438197167 /nfs/dbraw/zinc/19/71/67/438197167.db2.gz YOZHOILIHOJSGK-LSDHHAIUSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N(C)Cc1ccccc1 ZINC000418941460 438258780 /nfs/dbraw/zinc/25/87/80/438258780.db2.gz IAJBXXFYKRCSNC-INMHGKMJSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418946193 438260256 /nfs/dbraw/zinc/26/02/56/438260256.db2.gz MRWCLCUNBAGLRO-ZBFHGGJFSA-N 1 3 332.448 0.491 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418967938 438267873 /nfs/dbraw/zinc/26/78/73/438267873.db2.gz SUCMBXNQQWQIFE-ZBFHGGJFSA-N 1 3 332.448 0.430 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000418979512 438271425 /nfs/dbraw/zinc/27/14/25/438271425.db2.gz CDLZLCVNRJONDL-KRWDZBQOSA-N 1 3 346.475 0.822 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000418979512 438271428 /nfs/dbraw/zinc/27/14/28/438271428.db2.gz CDLZLCVNRJONDL-KRWDZBQOSA-N 1 3 346.475 0.822 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000418989368 438274461 /nfs/dbraw/zinc/27/44/61/438274461.db2.gz JIJNWPLPBMPVNJ-UHFFFAOYSA-N 1 3 332.448 0.562 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000418988786 438275474 /nfs/dbraw/zinc/27/54/74/438275474.db2.gz SLSYNPYUWMBHGF-MELADBBJSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000418988786 438275480 /nfs/dbraw/zinc/27/54/80/438275480.db2.gz SLSYNPYUWMBHGF-MELADBBJSA-N 1 3 340.468 0.064 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000351524492 438278349 /nfs/dbraw/zinc/27/83/49/438278349.db2.gz QWHSIPPLOSDHSV-IAGOWNOFSA-N 1 3 344.459 0.635 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351537717 438282211 /nfs/dbraw/zinc/28/22/11/438282211.db2.gz JCNBHQLGIRIHQU-HZPDHXFCSA-N 1 3 332.448 0.144 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000419006515 438284352 /nfs/dbraw/zinc/28/43/52/438284352.db2.gz WOMFEHGDOHLPEI-MRXNPFEDSA-N 1 3 332.448 0.575 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000419007066 438284444 /nfs/dbraw/zinc/28/44/44/438284444.db2.gz XFHPAOVEGWGIAV-KRWDZBQOSA-N 1 3 346.475 0.822 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000351559688 438288771 /nfs/dbraw/zinc/28/87/71/438288771.db2.gz VGZCCTIVJQWIBH-SJORKVTESA-N 1 3 344.459 0.808 20 0 ECADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000376829872 438293688 /nfs/dbraw/zinc/29/36/88/438293688.db2.gz LFSGOLQISYZKHS-LSDHHAIUSA-N 1 3 334.468 1.535 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419127020 438334528 /nfs/dbraw/zinc/33/45/28/438334528.db2.gz YYDBEEADXFWRAU-MAUKXSAKSA-N 1 3 338.496 0.873 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351767836 438336964 /nfs/dbraw/zinc/33/69/64/438336964.db2.gz HAVBKVQQMHKKRN-CABCVRRESA-N 1 3 342.484 0.060 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000419138098 438340789 /nfs/dbraw/zinc/34/07/89/438340789.db2.gz QDQGADGGIUBFPE-SJORKVTESA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419030624 438297389 /nfs/dbraw/zinc/29/73/89/438297389.db2.gz UCDGPBJCWPCPQB-QKPAOTATSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419032383 438297432 /nfs/dbraw/zinc/29/74/32/438297432.db2.gz WJCGRJJQUMCUDF-UGUYLWEFSA-N 1 3 338.496 0.809 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419034975 438299652 /nfs/dbraw/zinc/29/96/52/438299652.db2.gz NIBQTCVYRGHSQR-UHFFFAOYSA-N 1 3 342.509 0.271 20 0 ECADHO NC[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000434672074 438313973 /nfs/dbraw/zinc/31/39/73/438313973.db2.gz XLJXLFWAOMKBMI-SJORKVTESA-N 1 3 340.427 0.824 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419084486 438314692 /nfs/dbraw/zinc/31/46/92/438314692.db2.gz YRDGJPXRAZYANH-HRCADAONSA-N 1 3 338.496 0.953 20 0 ECADHO COCC1(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC[NH2+]CC1 ZINC000358865800 438317634 /nfs/dbraw/zinc/31/76/34/438317634.db2.gz OHIRRAYXKIRMCB-HNNXBMFYSA-N 1 3 326.485 0.002 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCN1C ZINC000351683366 438318213 /nfs/dbraw/zinc/31/82/13/438318213.db2.gz OJAINEHMTSQEMM-KLHDSHLOSA-N 1 3 338.496 0.917 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCCc3cc(C[NH3+])ccc32)CC1=O ZINC000378191234 438360286 /nfs/dbraw/zinc/36/02/86/438360286.db2.gz SLCRRIHBJRVGAE-INIZCTEOSA-N 1 3 344.459 0.835 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N(C)C1CC1 ZINC000419576349 438362954 /nfs/dbraw/zinc/36/29/54/438362954.db2.gz CCOTUWXHUXUZJL-CZUORRHYSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N(C)C1CC1 ZINC000419576350 438363407 /nfs/dbraw/zinc/36/34/07/438363407.db2.gz CCOTUWXHUXUZJL-XJKSGUPXSA-N 1 3 336.480 0.576 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419666031 438364724 /nfs/dbraw/zinc/36/47/24/438364724.db2.gz VNLMWQLUWNTFIE-GOEBONIOSA-N 1 3 332.448 0.491 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)C1CCCC1 ZINC000419698177 438370259 /nfs/dbraw/zinc/37/02/59/438370259.db2.gz SCHVBWWKSJZUHX-HOCLYGCPSA-N 1 3 336.480 0.753 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419779720 438372457 /nfs/dbraw/zinc/37/24/57/438372457.db2.gz PROOXJOECAELOO-AWEZNQCLSA-N 1 3 338.496 0.729 20 0 ECADHO N[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000419925480 438376636 /nfs/dbraw/zinc/37/66/36/438376636.db2.gz ITSVQQQLLYMVCW-NVXWUHKLSA-N 1 3 344.459 0.747 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC2(CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC000368761012 438377372 /nfs/dbraw/zinc/37/73/72/438377372.db2.gz IUAGRIACMLEFAC-CABCVRRESA-N 1 3 338.496 0.728 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC2(CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC000368761012 438377375 /nfs/dbraw/zinc/37/73/75/438377375.db2.gz IUAGRIACMLEFAC-CABCVRRESA-N 1 3 338.496 0.728 20 0 ECADHO N[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000419925482 438378155 /nfs/dbraw/zinc/37/81/55/438378155.db2.gz ITSVQQQLLYMVCW-WBVHZDCISA-N 1 3 344.459 0.747 20 0 ECADHO CC(C)[C@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)[NH+]1CCC(C)CC1 ZINC000352096505 438381855 /nfs/dbraw/zinc/38/18/55/438381855.db2.gz GYQIAJHRVWQING-RDJZCZTQSA-N 1 3 340.512 0.959 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CC1=O ZINC000368814589 438382726 /nfs/dbraw/zinc/38/27/26/438382726.db2.gz UISXAUJTRXAVMS-ZOFXXKQRSA-N 1 3 348.491 0.800 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386323369 438419210 /nfs/dbraw/zinc/41/92/10/438419210.db2.gz ITEFATVTMVYVRP-WMZOPIPTSA-N 1 3 346.475 0.724 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386323369 438419219 /nfs/dbraw/zinc/41/92/19/438419219.db2.gz ITEFATVTMVYVRP-WMZOPIPTSA-N 1 3 346.475 0.724 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)C(C)C ZINC000420680824 438422146 /nfs/dbraw/zinc/42/21/46/438422146.db2.gz YJTLMCZEFFAXQG-HNNXBMFYSA-N 1 3 326.485 0.774 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000420743672 438431858 /nfs/dbraw/zinc/43/18/58/438431858.db2.gz IFKQFVZBIANNMJ-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420214829 438394995 /nfs/dbraw/zinc/39/49/95/438394995.db2.gz KRPQXKOTSRISCJ-MRXNPFEDSA-N 1 3 334.464 0.499 20 0 ECADHO CC[C@@H](C)[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)C(=O)OC ZINC000420334804 438400538 /nfs/dbraw/zinc/40/05/38/438400538.db2.gz LHVHGMQAEJIKBX-HGTKMLMNSA-N 1 3 325.453 0.622 20 0 ECADHO CCN(CCNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC000359302060 438408248 /nfs/dbraw/zinc/40/82/48/438408248.db2.gz DSJPOBRXGISCGG-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CCN(C)CC2)CC1=O ZINC000369034861 438413583 /nfs/dbraw/zinc/41/35/83/438413583.db2.gz BCPMVRQHJDLVFU-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CCN(C)CC2)CC1=O ZINC000369034861 438413587 /nfs/dbraw/zinc/41/35/87/438413587.db2.gz BCPMVRQHJDLVFU-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000421783402 438500396 /nfs/dbraw/zinc/50/03/96/438500396.db2.gz GUMVSVNOVOLULS-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO CC(C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000422148063 438528747 /nfs/dbraw/zinc/52/87/47/438528747.db2.gz MUWLTFSQVHOKGZ-IRXDYDNUSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000422148063 438528750 /nfs/dbraw/zinc/52/87/50/438528750.db2.gz MUWLTFSQVHOKGZ-IRXDYDNUSA-N 1 3 339.528 0.994 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422284848 438544971 /nfs/dbraw/zinc/54/49/71/438544971.db2.gz QTGCLZYHAUBFOG-UHFFFAOYSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422323794 438552324 /nfs/dbraw/zinc/55/23/24/438552324.db2.gz GVTHUIOVAKJVAY-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422323794 438552327 /nfs/dbraw/zinc/55/23/27/438552327.db2.gz GVTHUIOVAKJVAY-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CCC1 ZINC000422628812 438595163 /nfs/dbraw/zinc/59/51/63/438595163.db2.gz VHDNFVYVUUDRKA-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422371719 438560056 /nfs/dbraw/zinc/56/00/56/438560056.db2.gz AAYCDWCEDCDFDU-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422371719 438560058 /nfs/dbraw/zinc/56/00/58/438560058.db2.gz AAYCDWCEDCDFDU-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410803015 438659938 /nfs/dbraw/zinc/65/99/38/438659938.db2.gz UQAUDZCKOOHUCB-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423379752 438669697 /nfs/dbraw/zinc/66/96/97/438669697.db2.gz NDGSOWVFMYKUCN-ZBFHGGJFSA-N 1 3 326.485 0.618 20 0 ECADHO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)N(C)Cc1ccccc1 ZINC000423413507 438674378 /nfs/dbraw/zinc/67/43/78/438674378.db2.gz ZFWPDRMCMXKLCP-CQSZACIVSA-N 1 3 330.436 0.877 20 0 ECADHO COC[C@@]1(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]C1 ZINC000423433875 438676556 /nfs/dbraw/zinc/67/65/56/438676556.db2.gz XKYQMGNOPPSZRT-GOSISDBHSA-N 1 3 331.460 0.828 20 0 ECADHO COc1cccc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)n1 ZINC000414479797 438706625 /nfs/dbraw/zinc/70/66/25/438706625.db2.gz IJYJWELKNAQHKS-UHFFFAOYSA-N 1 3 334.464 0.976 20 0 ECADHO C[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414675698 438714683 /nfs/dbraw/zinc/71/46/83/438714683.db2.gz GLMOXCNWAFDXHU-HUUCEWRRSA-N 1 3 333.432 0.956 20 0 ECADHO C[N@H+](C[C@@H]1COc2ccccc2O1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414675698 438714684 /nfs/dbraw/zinc/71/46/84/438714684.db2.gz GLMOXCNWAFDXHU-HUUCEWRRSA-N 1 3 333.432 0.956 20 0 ECADHO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697124 438715721 /nfs/dbraw/zinc/71/57/21/438715721.db2.gz BMNISSGCNIICDI-BBWFWOEESA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697124 438715723 /nfs/dbraw/zinc/71/57/23/438715723.db2.gz BMNISSGCNIICDI-BBWFWOEESA-N 1 3 338.496 0.905 20 0 ECADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(CCOC)CCN(C)C ZINC000414817160 438717671 /nfs/dbraw/zinc/71/76/71/438717671.db2.gz RNRURQIYPFCPET-UHFFFAOYSA-N 1 3 336.436 0.381 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414873946 438719142 /nfs/dbraw/zinc/71/91/42/438719142.db2.gz HKKKAZNZHGUBEH-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414873946 438719145 /nfs/dbraw/zinc/71/91/45/438719145.db2.gz HKKKAZNZHGUBEH-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)CC1 ZINC000454618182 438722911 /nfs/dbraw/zinc/72/29/11/438722911.db2.gz LHRCYFOYRJYUMM-ZACQAIPSSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NC2CNC2)cc1 ZINC000575028345 438734042 /nfs/dbraw/zinc/73/40/42/438734042.db2.gz MARJIALVEGVLMJ-AWEZNQCLSA-N 1 3 344.459 0.765 20 0 ECADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NC2CNC2)cc1 ZINC000575028345 438734046 /nfs/dbraw/zinc/73/40/46/438734046.db2.gz MARJIALVEGVLMJ-AWEZNQCLSA-N 1 3 344.459 0.765 20 0 ECADHO Cc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)c(OCCN(C)C)c1 ZINC000415209205 438738199 /nfs/dbraw/zinc/73/81/99/438738199.db2.gz VRMJQHGILPTXMO-HNNXBMFYSA-N 1 3 349.479 0.961 20 0 ECADHO C[C@@H](C[C@H]1CCCO1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000557314920 438798699 /nfs/dbraw/zinc/79/86/99/438798699.db2.gz LBSWBYYSKUYJQT-LSDHHAIUSA-N 1 3 342.484 0.012 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000575914168 438760082 /nfs/dbraw/zinc/76/00/82/438760082.db2.gz LQFJZCLCOMUJNJ-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)nn1 ZINC000514671766 438824132 /nfs/dbraw/zinc/82/41/32/438824132.db2.gz FCFJWAPQYJTYBI-CVEARBPZSA-N 1 3 346.410 0.782 20 0 ECADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595959419 438901177 /nfs/dbraw/zinc/90/11/77/438901177.db2.gz DNXOXAQGTHIOOQ-JKSUJKDBSA-N 1 3 337.489 0.950 20 0 ECADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595959419 438901182 /nfs/dbraw/zinc/90/11/82/438901182.db2.gz DNXOXAQGTHIOOQ-JKSUJKDBSA-N 1 3 337.489 0.950 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000516345626 438903506 /nfs/dbraw/zinc/90/35/06/438903506.db2.gz HFHNRZKNOHSYKG-VRKREXBASA-N 1 3 334.464 0.280 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000516345626 438903510 /nfs/dbraw/zinc/90/35/10/438903510.db2.gz HFHNRZKNOHSYKG-VRKREXBASA-N 1 3 334.464 0.280 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595967269 438904924 /nfs/dbraw/zinc/90/49/24/438904924.db2.gz QMILAMUANIIASL-RBSFLKMASA-N 1 3 337.395 0.668 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1=O ZINC000595895399 438879887 /nfs/dbraw/zinc/87/98/87/438879887.db2.gz LNLQXJBFPNVCNV-JYJNAYRXSA-N 1 3 337.464 0.862 20 0 ECADHO N[C@H]1C[C@@H]2CN(C(=O)NCCCCC[NH+]3CCCC3)CCN2C1=O ZINC000516664562 438921195 /nfs/dbraw/zinc/92/11/95/438921195.db2.gz KPJRXXXCBIUURK-CABCVRRESA-N 1 3 337.468 0.206 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C[NH+]1CCCCC1 ZINC000578524515 438931870 /nfs/dbraw/zinc/93/18/70/438931870.db2.gz ILOJDMBIQIPEBP-KFWWJZLASA-N 1 3 337.468 0.062 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000517224864 438953964 /nfs/dbraw/zinc/95/39/64/438953964.db2.gz AWLFOCWDVCVXCG-INIZCTEOSA-N 1 3 349.479 0.411 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@@H]1C[NH3+] ZINC000578857581 438959203 /nfs/dbraw/zinc/95/92/03/438959203.db2.gz IWXOGRKKROIZKP-GJZGRUSLSA-N 1 3 338.496 0.763 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC[N@@H+]1C ZINC000578925243 438966432 /nfs/dbraw/zinc/96/64/32/438966432.db2.gz ZZKGBHIONANVDN-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC[N@H+]1C ZINC000578925243 438966435 /nfs/dbraw/zinc/96/64/35/438966435.db2.gz ZZKGBHIONANVDN-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO COC1([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)CCOCC1 ZINC000517552423 438967052 /nfs/dbraw/zinc/96/70/52/438967052.db2.gz BOISDTHHEXUWFE-HNNXBMFYSA-N 1 3 344.500 0.705 20 0 ECADHO CN1CCN(C)[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518438173 438997279 /nfs/dbraw/zinc/99/72/79/438997279.db2.gz WJVGUQRUMAOKLF-ROUUACIJSA-N 1 3 345.491 0.656 20 0 ECADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000518470574 438998634 /nfs/dbraw/zinc/99/86/34/438998634.db2.gz BSQGGKNOTHKODN-OAHLLOKOSA-N 1 3 337.468 0.030 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000579942252 439049472 /nfs/dbraw/zinc/04/94/72/439049472.db2.gz PEUXGMJRSFZHRF-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000566436595 439053007 /nfs/dbraw/zinc/05/30/07/439053007.db2.gz CMWRXRNCQJDBNN-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000566436595 439053015 /nfs/dbraw/zinc/05/30/15/439053015.db2.gz CMWRXRNCQJDBNN-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579462170 439012366 /nfs/dbraw/zinc/01/23/66/439012366.db2.gz MYSKTKFYHAWITH-WCXIOVBPSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)CCOCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000471658622 439090510 /nfs/dbraw/zinc/09/05/10/439090510.db2.gz MRHSWUHRWNRMTR-CVEARBPZSA-N 1 3 342.484 0.242 20 0 ECADHO CC(C)N1CCC[C@H](CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)C1 ZINC000602469118 439093744 /nfs/dbraw/zinc/09/37/44/439093744.db2.gz AABZEIHZIAHMCD-PEBXRYMYSA-N 1 3 329.510 0.724 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@]3(C[NH3+])CCCOC3)C2)CC1 ZINC000602480682 439094860 /nfs/dbraw/zinc/09/48/60/439094860.db2.gz IPKMULOJEZLWOU-FUHWJXTLSA-N 1 3 338.496 0.369 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000580569229 439106178 /nfs/dbraw/zinc/10/61/78/439106178.db2.gz FPLZYTNWPCWUHB-UHFFFAOYSA-N 1 3 344.423 0.026 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000521212388 439110153 /nfs/dbraw/zinc/11/01/53/439110153.db2.gz UUWBWBDATRCHBE-OAHLLOKOSA-N 1 3 344.415 0.414 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000521212388 439110158 /nfs/dbraw/zinc/11/01/58/439110158.db2.gz UUWBWBDATRCHBE-OAHLLOKOSA-N 1 3 344.415 0.414 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000580633258 439112747 /nfs/dbraw/zinc/11/27/47/439112747.db2.gz RSHFRFOPJYFKAI-HNNXBMFYSA-N 1 3 326.485 0.871 20 0 ECADHO [NH3+]CCCn1cc(C(=O)NCC2(N3CCCC3)CCOCC2)nn1 ZINC000580190306 439071407 /nfs/dbraw/zinc/07/14/07/439071407.db2.gz MKZOFABXIPCHMV-UHFFFAOYSA-N 1 3 336.440 0.002 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000566572532 439072700 /nfs/dbraw/zinc/07/27/00/439072700.db2.gz FYTBSDNKQYRQPE-LSDHHAIUSA-N 1 3 326.485 0.857 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000566572526 439073297 /nfs/dbraw/zinc/07/32/97/439073297.db2.gz FYTBSDNKQYRQPE-CABCVRRESA-N 1 3 326.485 0.857 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000522138516 439145044 /nfs/dbraw/zinc/14/50/44/439145044.db2.gz VZANETXGEXXTAV-INIZCTEOSA-N 1 3 332.448 0.546 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000522138516 439145049 /nfs/dbraw/zinc/14/50/49/439145049.db2.gz VZANETXGEXXTAV-INIZCTEOSA-N 1 3 332.448 0.546 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567501182 439147984 /nfs/dbraw/zinc/14/79/84/439147984.db2.gz GHPBOZUZSLHKPB-MNOVXSKESA-N 1 3 331.486 0.466 20 0 ECADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487667423 439158728 /nfs/dbraw/zinc/15/87/28/439158728.db2.gz YVABMEJMNIUSEB-HOTGVXAUSA-N 1 3 342.484 0.242 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000581188870 439179502 /nfs/dbraw/zinc/17/95/02/439179502.db2.gz ZSROSZUUBCOKRT-PMPSAXMXSA-N 1 3 338.496 0.953 20 0 ECADHO NC1(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCCC1 ZINC000567926312 439197158 /nfs/dbraw/zinc/19/71/58/439197158.db2.gz GPNGUXQZWZYBPL-LSDHHAIUSA-N 1 3 349.479 0.395 20 0 ECADHO Cc1noc(CCCNC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000525446013 439209572 /nfs/dbraw/zinc/20/95/72/439209572.db2.gz UWRUMYJIIAJQMT-UHFFFAOYSA-N 1 3 326.445 0.445 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)C[C@H]3CSCC[NH2+]3)C2)CC1 ZINC000568758778 439275187 /nfs/dbraw/zinc/27/51/87/439275187.db2.gz RSNHVCKUDXVAHR-GJZGRUSLSA-N 1 3 326.510 0.320 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1 ZINC000568286793 439235694 /nfs/dbraw/zinc/23/56/94/439235694.db2.gz GTOXBFRNVALPPT-ARFHVFGLSA-N 1 3 345.447 0.243 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000568535161 439258195 /nfs/dbraw/zinc/25/81/95/439258195.db2.gz SZDKPXSUEUXIEL-ARFHVFGLSA-N 1 3 336.480 0.291 20 0 ECADHO COC[C@]1(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CCC[NH2+]1 ZINC000592965208 439323470 /nfs/dbraw/zinc/32/34/70/439323470.db2.gz ULLBAAVHIYVWLX-AEFFLSMTSA-N 1 3 338.496 0.382 20 0 ECADHO [NH3+]C1(CNC(=O)C[C@H]2CNCCO2)CCN(Cc2ccccc2)CC1 ZINC000569574426 439345628 /nfs/dbraw/zinc/34/56/28/439345628.db2.gz CGWRGMHZNHERRU-KRWDZBQOSA-N 1 3 346.475 0.475 20 0 ECADHO O=C(C(=O)N1CC[C@H](N2CCCCC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000569711575 439358192 /nfs/dbraw/zinc/35/81/92/439358192.db2.gz SDEJUCGRCHCQBG-XHSDSOJGSA-N 1 3 334.464 0.141 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000570112811 439392453 /nfs/dbraw/zinc/39/24/53/439392453.db2.gz DLFZHDHEWUYJML-UHFFFAOYSA-N 1 3 326.485 0.633 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000570272755 439405636 /nfs/dbraw/zinc/40/56/36/439405636.db2.gz GHUNIGUQLAIAEP-MOPGFXCFSA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000570272755 439405639 /nfs/dbraw/zinc/40/56/39/439405639.db2.gz GHUNIGUQLAIAEP-MOPGFXCFSA-N 1 3 338.540 0.981 20 0 ECADHO CCO[C@H]1C[C@@](N)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1(C)C ZINC000583084170 439417963 /nfs/dbraw/zinc/41/79/63/439417963.db2.gz ZYWZQEDLIUDGCA-LDDOYCOJSA-N 1 3 339.480 0.874 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000570500985 439426202 /nfs/dbraw/zinc/42/62/02/439426202.db2.gz ADMYKIDMOBUVRY-IAGOWNOFSA-N 1 3 331.464 0.464 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000571746645 439528048 /nfs/dbraw/zinc/52/80/48/439528048.db2.gz CAQYPNGEJAOWFT-LSDHHAIUSA-N 1 3 336.480 0.707 20 0 ECADHO CN1CCN(CCCCNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000583997067 439537897 /nfs/dbraw/zinc/53/78/97/439537897.db2.gz RIVCWYIUIHKBDQ-UHFFFAOYSA-N 1 3 325.482 0.402 20 0 ECADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584125305 439553049 /nfs/dbraw/zinc/55/30/49/439553049.db2.gz YLMADTUGSAEGTH-BFHYXJOUSA-N 1 3 325.457 0.060 20 0 ECADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584125305 439553052 /nfs/dbraw/zinc/55/30/52/439553052.db2.gz YLMADTUGSAEGTH-BFHYXJOUSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000583820267 439514994 /nfs/dbraw/zinc/51/49/94/439514994.db2.gz VYTACBDWNUTDGZ-CABCVRRESA-N 1 3 332.452 0.327 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000572380046 439578329 /nfs/dbraw/zinc/57/83/29/439578329.db2.gz XOBSYCSHPKHQHN-HUUCEWRRSA-N 1 3 337.468 0.062 20 0 ECADHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405422 439585313 /nfs/dbraw/zinc/58/53/13/439585313.db2.gz FYGMWVMCGIPZEY-VQTJNVASSA-N 1 3 347.503 0.834 20 0 ECADHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405422 439585317 /nfs/dbraw/zinc/58/53/17/439585317.db2.gz FYGMWVMCGIPZEY-VQTJNVASSA-N 1 3 347.503 0.834 20 0 ECADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405422 439585322 /nfs/dbraw/zinc/58/53/22/439585322.db2.gz FYGMWVMCGIPZEY-VQTJNVASSA-N 1 3 347.503 0.834 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000584541712 439600922 /nfs/dbraw/zinc/60/09/22/439600922.db2.gz VTYXFDMTBGFIGA-NVXWUHKLSA-N 1 3 346.475 0.473 20 0 ECADHO NC[C@H]1c2ccccc2CCN1C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000573252425 439636827 /nfs/dbraw/zinc/63/68/27/439636827.db2.gz VSLQWKXXHRUKPK-BTFYYFJDSA-N 1 3 327.428 0.886 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC[NH+](C)C ZINC000587110945 439666413 /nfs/dbraw/zinc/66/64/13/439666413.db2.gz IFLWSPQPZQGSDE-CQSZACIVSA-N 1 3 327.473 0.180 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@](C)(O)CO)CC2)CC1 ZINC000574583920 439714424 /nfs/dbraw/zinc/71/44/24/439714424.db2.gz RJJQKPZXVFHWLB-KRWDZBQOSA-N 1 3 327.469 0.042 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000611641359 439715290 /nfs/dbraw/zinc/71/52/90/439715290.db2.gz QYOOINADWWUMAH-FMKPAKJESA-N 1 3 336.480 0.671 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000611641359 439715293 /nfs/dbraw/zinc/71/52/93/439715293.db2.gz QYOOINADWWUMAH-FMKPAKJESA-N 1 3 336.480 0.671 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@](C)(O)COC)CC2)CC1 ZINC000574701577 439722299 /nfs/dbraw/zinc/72/22/99/439722299.db2.gz GOFRTRXADHDVQR-SFHVURJKSA-N 1 3 341.496 0.696 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000573935248 439675147 /nfs/dbraw/zinc/67/51/47/439675147.db2.gz UIMTWHRHCIKTKD-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000613987936 439767609 /nfs/dbraw/zinc/76/76/09/439767609.db2.gz WYXBRJNJYFUSHR-TUVASFSCSA-N 1 3 326.485 0.820 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000613987936 439767610 /nfs/dbraw/zinc/76/76/10/439767610.db2.gz WYXBRJNJYFUSHR-TUVASFSCSA-N 1 3 326.485 0.820 20 0 ECADHO C[NH+](C)C1CCC(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000611990718 439741611 /nfs/dbraw/zinc/74/16/11/439741611.db2.gz ORBYSKYMLHMQEF-SLTAFYQDSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)c1cccc(C(=O)N[C@@H](C)C[NH+](C)C)c1N ZINC000614838115 439788159 /nfs/dbraw/zinc/78/81/59/439788159.db2.gz CPCJJCRAKOAQKH-STQMWFEESA-N 1 3 349.479 0.629 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000631649050 439881111 /nfs/dbraw/zinc/88/11/11/439881111.db2.gz UHUUCRAISYQTRD-OAHLLOKOSA-N 1 3 332.514 0.028 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000631649050 439881116 /nfs/dbraw/zinc/88/11/16/439881116.db2.gz UHUUCRAISYQTRD-OAHLLOKOSA-N 1 3 332.514 0.028 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)n3cc(N)cn3)CC2)CC1 ZINC000662699745 439847192 /nfs/dbraw/zinc/84/71/92/439847192.db2.gz ICPNITDZOUAVDC-UHFFFAOYSA-N 1 3 348.495 0.875 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000652459474 439857212 /nfs/dbraw/zinc/85/72/12/439857212.db2.gz UKPHKEQDQPDDON-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000652459474 439857218 /nfs/dbraw/zinc/85/72/18/439857218.db2.gz UKPHKEQDQPDDON-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000617503430 439898800 /nfs/dbraw/zinc/89/88/00/439898800.db2.gz IRYSTGKRHMUZDW-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000617503430 439898804 /nfs/dbraw/zinc/89/88/04/439898804.db2.gz IRYSTGKRHMUZDW-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658390659 439912519 /nfs/dbraw/zinc/91/25/19/439912519.db2.gz QIWXGNNRVQGHQV-UHFFFAOYSA-N 1 3 343.497 0.611 20 0 ECADHO O=C(COC1CC[NH2+]CC1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858377 439915596 /nfs/dbraw/zinc/91/55/96/439915596.db2.gz GTIWYOKUPPVPEH-KRWDZBQOSA-N 1 3 347.459 0.638 20 0 ECADHO C[NH+](C)CC[C@@H](N)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857960 439916559 /nfs/dbraw/zinc/91/65/59/439916559.db2.gz DCWLCQZQIOBEMO-IAGOWNOFSA-N 1 3 334.464 0.148 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000626863945 439919121 /nfs/dbraw/zinc/91/91/21/439919121.db2.gz RLWMTRKEBOTAJZ-GOEBONIOSA-N 1 3 332.448 0.986 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000636619652 439965953 /nfs/dbraw/zinc/96/59/53/439965953.db2.gz JOUJXUSYDMDYRP-GOEBONIOSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000642330589 439974160 /nfs/dbraw/zinc/97/41/60/439974160.db2.gz ZHTASBFMDADMOQ-ZNMIVQPWSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)[C@H]1CNCCN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000626978440 439978750 /nfs/dbraw/zinc/97/87/50/439978750.db2.gz DALYQBMCUNJSKQ-DOTOQJQBSA-N 1 3 337.512 0.794 20 0 ECADHO CC(C)[C@H]1CNCCN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000626978440 439978753 /nfs/dbraw/zinc/97/87/53/439978753.db2.gz DALYQBMCUNJSKQ-DOTOQJQBSA-N 1 3 337.512 0.794 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636570259 439937618 /nfs/dbraw/zinc/93/76/18/439937618.db2.gz INDZKPFNPJPJFM-WMLDXEAASA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636570259 439937620 /nfs/dbraw/zinc/93/76/20/439937620.db2.gz INDZKPFNPJPJFM-WMLDXEAASA-N 1 3 348.491 0.720 20 0 ECADHO N[C@@H]1CCCCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000631834527 439938065 /nfs/dbraw/zinc/93/80/65/439938065.db2.gz ZCZCWKAWJQJLDN-MRXNPFEDSA-N 1 3 346.479 0.719 20 0 ECADHO N[C@@H]1CCCCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000631834527 439938072 /nfs/dbraw/zinc/93/80/72/439938072.db2.gz ZCZCWKAWJQJLDN-MRXNPFEDSA-N 1 3 346.479 0.719 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000642030957 439941558 /nfs/dbraw/zinc/94/15/58/439941558.db2.gz PRYRAQBTQHUQIY-MLHJIOFPSA-N 1 3 349.523 0.796 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000652718558 439941634 /nfs/dbraw/zinc/94/16/34/439941634.db2.gz HCALFBHAULDPNX-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000652721060 439943448 /nfs/dbraw/zinc/94/34/48/439943448.db2.gz SUOQORCEVVPLBG-KRWDZBQOSA-N 1 3 346.475 0.963 20 0 ECADHO CN(C)CCN1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1=O ZINC000652733607 439955473 /nfs/dbraw/zinc/95/54/73/439955473.db2.gz LLBMNFJKHINZKF-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000662942502 439960039 /nfs/dbraw/zinc/96/00/39/439960039.db2.gz IVIBQSDDOPHESF-GASCZTMLSA-N 1 3 338.496 0.966 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000662942503 439960271 /nfs/dbraw/zinc/96/02/71/439960271.db2.gz IVIBQSDDOPHESF-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000662947162 439963726 /nfs/dbraw/zinc/96/37/26/439963726.db2.gz LXLMQCXQPMQSCQ-IAGOWNOFSA-N 1 3 344.459 0.321 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000642540812 439989592 /nfs/dbraw/zinc/98/95/92/439989592.db2.gz OTRVJSKOXITOQB-OLZOCXBDSA-N 1 3 338.477 0.540 20 0 ECADHO O=C(CC[NH2+]C1CC1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663018747 439992843 /nfs/dbraw/zinc/99/28/43/439992843.db2.gz YMRPXYLTTNBOMI-CQSZACIVSA-N 1 3 346.479 0.667 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@@H]([NH3+])c3ccccc3)C2)nn1 ZINC000647087794 439996621 /nfs/dbraw/zinc/99/66/21/439996621.db2.gz KIQPVHMQIMFNDW-HZPDHXFCSA-N 1 3 328.420 0.990 20 0 ECADHO C[C@H](NC(=O)C(=O)N(CCN)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000642724405 440016305 /nfs/dbraw/zinc/01/63/05/440016305.db2.gz NVFGQAVRWKIHAH-HNNXBMFYSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C1CC[NH+](C)CC1 ZINC000642724343 440017607 /nfs/dbraw/zinc/01/76/07/440017607.db2.gz DYIVZWHDMRLPQU-SCRDCRAPSA-N 1 3 340.468 0.062 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000642761509 440027149 /nfs/dbraw/zinc/02/71/49/440027149.db2.gz XBBWDPGXMWSUMO-SCRDCRAPSA-N 1 3 338.477 0.711 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[C@@H]1[NH3+] ZINC000642768949 440029600 /nfs/dbraw/zinc/02/96/00/440029600.db2.gz UBPRJHCLTOXPDY-WWGRRREGSA-N 1 3 342.509 0.126 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[C@H]1[NH3+] ZINC000642780487 440033992 /nfs/dbraw/zinc/03/39/92/440033992.db2.gz DHZBLCHKAXPCFT-IAGOWNOFSA-N 1 3 346.475 0.950 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642948163 440068032 /nfs/dbraw/zinc/06/80/32/440068032.db2.gz DJNQGSYQIKTLEY-DLBZAZTESA-N 1 3 346.475 0.819 20 0 ECADHO C[N@H+](CCCO)C1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000632013920 440040618 /nfs/dbraw/zinc/04/06/18/440040618.db2.gz WVIOIWAZYZOYEH-UHFFFAOYSA-N 1 3 347.525 0.581 20 0 ECADHO C[N@@H+](CCCO)C1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000632013920 440040623 /nfs/dbraw/zinc/04/06/23/440040623.db2.gz WVIOIWAZYZOYEH-UHFFFAOYSA-N 1 3 347.525 0.581 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)ccc1OCCN(C)C ZINC000663608588 440116773 /nfs/dbraw/zinc/11/67/73/440116773.db2.gz KKGUGKQVIQOEOS-SFHVURJKSA-N 1 3 348.447 0.742 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000663614857 440120184 /nfs/dbraw/zinc/12/01/84/440120184.db2.gz BCYYITYNSKAMIQ-KRWDZBQOSA-N 1 3 334.420 0.434 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000637014872 440131482 /nfs/dbraw/zinc/13/14/82/440131482.db2.gz JSHSMTQGDITDBN-GJZGRUSLSA-N 1 3 337.468 0.077 20 0 ECADHO CCN(C(=O)C(=O)N(C)CCC[NH+]1CCCC1)[C@H]1CCN(CC)C1 ZINC000658826341 440141979 /nfs/dbraw/zinc/14/19/79/440141979.db2.gz PCQOVNNJJIGAQX-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)C[C@H]2CSCCN2)C1 ZINC000653260727 440104496 /nfs/dbraw/zinc/10/44/96/440104496.db2.gz KGDXVZMGVSLZRL-QPSCCSFWSA-N 1 3 327.494 0.969 20 0 ECADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000643453454 440169160 /nfs/dbraw/zinc/16/91/60/440169160.db2.gz CKDPWQGFXDUNTG-XHSDSOJGSA-N 1 3 344.525 0.074 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643492887 440184300 /nfs/dbraw/zinc/18/43/00/440184300.db2.gz YANMUAQNHHYMNM-OWCLPIDISA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C[NH2+]1 ZINC000627427863 440198229 /nfs/dbraw/zinc/19/82/29/440198229.db2.gz PGIQFXRUIBMFKI-KFWWJZLASA-N 1 3 336.480 0.766 20 0 ECADHO C[NH+](C)CCC[C@H]1CN(C(=O)N[C@H](CN)C(F)(F)F)CCO1 ZINC000659024833 440209209 /nfs/dbraw/zinc/20/92/09/440209209.db2.gz KTCRJTCOUDCGBD-WDEREUQCSA-N 1 3 326.363 0.628 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643558259 440211895 /nfs/dbraw/zinc/21/18/95/440211895.db2.gz BHXSAKURDCNYBP-CRAIPNDOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC000637264032 440219637 /nfs/dbraw/zinc/21/96/37/440219637.db2.gz JOSUYGPTWMXOOC-KKUMJFAQSA-N 1 3 330.473 0.098 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC000637264032 440219643 /nfs/dbraw/zinc/21/96/43/440219643.db2.gz JOSUYGPTWMXOOC-KKUMJFAQSA-N 1 3 330.473 0.098 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627477920 440231733 /nfs/dbraw/zinc/23/17/33/440231733.db2.gz DTCMOOIXYYYZPZ-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C[NH+](C)C ZINC000659080448 440232189 /nfs/dbraw/zinc/23/21/89/440232189.db2.gz AUQDSJHZFXCZPV-BBRMVZONSA-N 1 3 348.447 0.600 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000627440090 440205971 /nfs/dbraw/zinc/20/59/71/440205971.db2.gz BPWUARHWEOYEKG-CABCVRRESA-N 1 3 334.464 0.474 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977935 440206234 /nfs/dbraw/zinc/20/62/34/440206234.db2.gz JYOUFUPYFJKPKR-JKSUJKDBSA-N 1 3 347.525 0.654 20 0 ECADHO CCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCN(C)C1 ZINC000664175919 440250563 /nfs/dbraw/zinc/25/05/63/440250563.db2.gz RWPKVFQEECTYBM-HUUCEWRRSA-N 1 3 339.484 0.309 20 0 ECADHO CCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCN(C)C1 ZINC000664175919 440250567 /nfs/dbraw/zinc/25/05/67/440250567.db2.gz RWPKVFQEECTYBM-HUUCEWRRSA-N 1 3 339.484 0.309 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC[N@@H+]1C ZINC000648765240 440322094 /nfs/dbraw/zinc/32/20/94/440322094.db2.gz ZLZKDMUFRBREAP-RHSMWYFYSA-N 1 3 346.475 0.934 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC[N@H+]1C ZINC000648765240 440322098 /nfs/dbraw/zinc/32/20/98/440322098.db2.gz ZLZKDMUFRBREAP-RHSMWYFYSA-N 1 3 346.475 0.934 20 0 ECADHO C[NH+](C)CC1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659471669 440337156 /nfs/dbraw/zinc/33/71/56/440337156.db2.gz FUKWNPPYTQGIGN-UHFFFAOYSA-N 1 3 336.440 0.561 20 0 ECADHO CN(C)CCn1cc(C(=O)NCCC[NH2+]Cc2cccnc2)cn1 ZINC000637806750 440338393 /nfs/dbraw/zinc/33/83/93/440338393.db2.gz NPXGVHLTCRCQBS-UHFFFAOYSA-N 1 3 330.436 0.749 20 0 ECADHO COCC[NH2+]CCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659529475 440355285 /nfs/dbraw/zinc/35/52/85/440355285.db2.gz YKRFYATUJYJBEU-UHFFFAOYSA-N 1 3 349.479 0.829 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000632724319 440357373 /nfs/dbraw/zinc/35/73/73/440357373.db2.gz DJFDQQUHMVKDLI-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000659575802 440366600 /nfs/dbraw/zinc/36/66/00/440366600.db2.gz BAOXVNIQHLXSOK-BSDSXHPESA-N 1 3 344.459 0.593 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000654461988 440323305 /nfs/dbraw/zinc/32/33/05/440323305.db2.gz VWLQMSUUGCUZGN-OAGGEKHMSA-N 1 3 325.501 0.509 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000659453119 440327152 /nfs/dbraw/zinc/32/71/52/440327152.db2.gz VANSBEBCJWUQTG-OAHLLOKOSA-N 1 3 341.500 0.602 20 0 ECADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659452618 440329346 /nfs/dbraw/zinc/32/93/46/440329346.db2.gz NKDXNOUEFOJVKH-RYUDHWBXSA-N 1 3 336.440 0.703 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659683678 440419765 /nfs/dbraw/zinc/41/97/65/440419765.db2.gz AEBGYASJAPRWDI-HUUCEWRRSA-N 1 3 326.485 0.857 20 0 ECADHO CN1CCC[C@H]1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638076719 440425735 /nfs/dbraw/zinc/42/57/35/440425735.db2.gz MJQHDLVJCXHCIE-NSHDSACASA-N 1 3 342.394 0.964 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000659629526 440381327 /nfs/dbraw/zinc/38/13/27/440381327.db2.gz WMCOQDUNHCUYBX-UHFFFAOYSA-N 1 3 334.424 0.316 20 0 ECADHO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)CC1 ZINC000659629875 440382746 /nfs/dbraw/zinc/38/27/46/440382746.db2.gz BGAXMONZHKXCPB-ZDUSSCGKSA-N 1 3 348.451 0.514 20 0 ECADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659629478 440383148 /nfs/dbraw/zinc/38/31/48/440383148.db2.gz UVOYUQNTKLZXGQ-HNNXBMFYSA-N 1 3 348.451 0.561 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000649072814 440384879 /nfs/dbraw/zinc/38/48/79/440384879.db2.gz JHVBJOFBVXXENJ-GOEBONIOSA-N 1 3 336.480 0.972 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000649072814 440384885 /nfs/dbraw/zinc/38/48/85/440384885.db2.gz JHVBJOFBVXXENJ-GOEBONIOSA-N 1 3 336.480 0.972 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCN1CCCOCC1 ZINC000664958662 440395059 /nfs/dbraw/zinc/39/50/59/440395059.db2.gz PSPMXTZFQMKMSI-INIZCTEOSA-N 1 3 343.516 0.280 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCO1 ZINC000649274382 440428327 /nfs/dbraw/zinc/42/83/27/440428327.db2.gz IHLRFXHZERZZLM-AEFFLSMTSA-N 1 3 346.475 0.773 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000633005194 440403644 /nfs/dbraw/zinc/40/36/44/440403644.db2.gz KWLKQFKHWDYPJJ-WFASDCNBSA-N 1 3 348.451 0.203 20 0 ECADHO CCN1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000665030766 440407358 /nfs/dbraw/zinc/40/73/58/440407358.db2.gz NDRYSVRKBYSELX-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO CCN1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000665030766 440407362 /nfs/dbraw/zinc/40/73/62/440407362.db2.gz NDRYSVRKBYSELX-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC2CC1(CN)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000659676167 440412872 /nfs/dbraw/zinc/41/28/72/440412872.db2.gz FOJUNLIMTGOZPE-RQMAVPSVSA-N 1 3 348.491 0.705 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC2CC1(CN)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000659676167 440412875 /nfs/dbraw/zinc/41/28/75/440412875.db2.gz FOJUNLIMTGOZPE-RQMAVPSVSA-N 1 3 348.491 0.705 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000659724234 440461471 /nfs/dbraw/zinc/46/14/71/440461471.db2.gz QUVUBLPUJCTOEP-CJNGLKHVSA-N 1 3 332.448 0.923 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000659727169 440465913 /nfs/dbraw/zinc/46/59/13/440465913.db2.gz HUUQRYXBLIAFGC-BARDWOONSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000649330325 440470786 /nfs/dbraw/zinc/47/07/86/440470786.db2.gz QRKYBLHVMRCZGV-CYBMUJFWSA-N 1 3 346.422 0.290 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659735494 440472043 /nfs/dbraw/zinc/47/20/43/440472043.db2.gz GRPURGBYXAUYDJ-GDBMZVCRSA-N 1 3 338.496 0.999 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3CCO[C@@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638173466 440473564 /nfs/dbraw/zinc/47/35/64/440473564.db2.gz HJVBLUYXSRDERU-ZDUSSCGKSA-N 1 3 347.419 0.103 20 0 ECADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000659741547 440477683 /nfs/dbraw/zinc/47/76/83/440477683.db2.gz VDIFYEYBLATGFP-SWKXRBFHSA-N 1 3 334.464 0.332 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000638088260 440429350 /nfs/dbraw/zinc/42/93/50/440429350.db2.gz FBHQUMUGJLLZBD-MRXNPFEDSA-N 1 3 344.463 0.843 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2(N3CCCC3)CCOCC2)C1 ZINC000638103221 440438235 /nfs/dbraw/zinc/43/82/35/440438235.db2.gz ZEXPMTUWTUNJOZ-GOEBONIOSA-N 1 3 325.453 0.515 20 0 ECADHO CCN1C[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000665230311 440440061 /nfs/dbraw/zinc/44/00/61/440440061.db2.gz MKZNIJBXYHRATD-GJZGRUSLSA-N 1 3 341.500 0.426 20 0 ECADHO CCN1C[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000665230311 440440065 /nfs/dbraw/zinc/44/00/65/440440065.db2.gz MKZNIJBXYHRATD-GJZGRUSLSA-N 1 3 341.500 0.426 20 0 ECADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000638109612 440445369 /nfs/dbraw/zinc/44/53/69/440445369.db2.gz WDMLTTSCPZYAGE-PBHICJAKSA-N 1 3 327.469 0.759 20 0 ECADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659714851 440448865 /nfs/dbraw/zinc/44/88/65/440448865.db2.gz YNPNZWRUGBBKLQ-GJZGRUSLSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659715185 440449051 /nfs/dbraw/zinc/44/90/51/440449051.db2.gz OWBPPCFDIBLFEQ-CABCVRRESA-N 1 3 336.480 0.625 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000633139022 440460220 /nfs/dbraw/zinc/46/02/20/440460220.db2.gz GEAOAMZLGDDAQE-DJIMGWMZSA-N 1 3 344.459 0.667 20 0 ECADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CNCCC3(F)F)CC2)C1 ZINC000649352979 440484728 /nfs/dbraw/zinc/48/47/28/440484728.db2.gz ZNODBAXHLKTCIQ-KGLIPLIRSA-N 1 3 330.423 0.470 20 0 ECADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CNCCC3(F)F)CC2)C1 ZINC000649352979 440484735 /nfs/dbraw/zinc/48/47/35/440484735.db2.gz ZNODBAXHLKTCIQ-KGLIPLIRSA-N 1 3 330.423 0.470 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000638264902 440488939 /nfs/dbraw/zinc/48/89/39/440488939.db2.gz YXVJFYNVZCFQND-DLBZAZTESA-N 1 3 341.496 0.819 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[NH3+]CC1(NC(=O)CC2(N3CCOCC3)CCCC2)CCOCC1 ZINC000638634282 440591845 /nfs/dbraw/zinc/59/18/45/440591845.db2.gz MTXSODFXDNOMNB-UHFFFAOYSA-N 1 3 325.453 0.646 20 0 ECADHO C[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C1CC[NH+](C)CC1 ZINC000655576475 440592261 /nfs/dbraw/zinc/59/22/61/440592261.db2.gz OKFJJXXJPLNHIW-GDBMZVCRSA-N 1 3 326.485 0.863 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000638698670 440605634 /nfs/dbraw/zinc/60/56/34/440605634.db2.gz LWJBLKOMGFLBSV-HOTGVXAUSA-N 1 3 325.501 0.925 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638728278 440608914 /nfs/dbraw/zinc/60/89/14/440608914.db2.gz MFSUJZXTYHZQDV-WBVHZDCISA-N 1 3 339.480 0.857 20 0 ECADHO CC(C)(CNC1CC[NH+](C[C@H]2CCCO2)CC1)NS(C)(=O)=O ZINC000655727988 440621255 /nfs/dbraw/zinc/62/12/55/440621255.db2.gz SEROFKHXLZEKJW-CQSZACIVSA-N 1 3 333.498 0.547 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)CC1=O ZINC000639066955 440670828 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20 0 ECADHO CN1CCN(C)[C@@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634704140 440691125 /nfs/dbraw/zinc/69/11/25/440691125.db2.gz GRTBSJLIKFUHPC-OALUTQOASA-N 1 3 332.492 0.459 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634702954 440691168 /nfs/dbraw/zinc/69/11/68/440691168.db2.gz NKSJFJWAPYBVKJ-ICSRJNTNSA-N 1 3 346.519 0.849 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634702954 440691171 /nfs/dbraw/zinc/69/11/71/440691171.db2.gz NKSJFJWAPYBVKJ-ICSRJNTNSA-N 1 3 346.519 0.849 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634702954 440691173 /nfs/dbraw/zinc/69/11/73/440691173.db2.gz NKSJFJWAPYBVKJ-ICSRJNTNSA-N 1 3 346.519 0.849 20 0 ECADHO CN1CCC(C[NH2+]C2CC(n3cccn3)C2)(N2CCOCC2)CC1 ZINC000639260891 440695609 /nfs/dbraw/zinc/69/56/09/440695609.db2.gz IUTKDRZWKQDUGD-UHFFFAOYSA-N 1 3 333.480 0.973 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1C[NH3+] ZINC000656028470 440700107 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20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656125508 440725858 /nfs/dbraw/zinc/72/58/58/440725858.db2.gz GBNASPBCILMWOI-MCIONIFRSA-N 1 3 325.457 0.088 20 0 ECADHO O=C1CC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CCN1 ZINC000634957766 440726809 /nfs/dbraw/zinc/72/68/09/440726809.db2.gz WXPOFTRBQUFHNB-MRXNPFEDSA-N 1 3 331.464 0.852 20 0 ECADHO O[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)CN1CCCC1 ZINC000629612588 440745331 /nfs/dbraw/zinc/74/53/31/440745331.db2.gz FTGPPQSXAVYBOV-ZWKOTPCHSA-N 1 3 334.464 0.329 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656285718 440751751 /nfs/dbraw/zinc/75/17/51/440751751.db2.gz GCNXFUWPHPUNRJ-HOTGVXAUSA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656308344 440760619 /nfs/dbraw/zinc/76/06/19/440760619.db2.gz CJSWTCOTVPLOFJ-CVEARBPZSA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656308344 440760621 /nfs/dbraw/zinc/76/06/21/440760621.db2.gz CJSWTCOTVPLOFJ-CVEARBPZSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656315268 440767168 /nfs/dbraw/zinc/76/71/68/440767168.db2.gz JAMFFFSFZFWXAM-OAGGEKHMSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000629802996 440768703 /nfs/dbraw/zinc/76/87/03/440768703.db2.gz YDWVNCRMNYARAP-CALCHBBNSA-N 1 3 344.459 0.384 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000629802996 440768707 /nfs/dbraw/zinc/76/87/07/440768707.db2.gz YDWVNCRMNYARAP-CALCHBBNSA-N 1 3 344.459 0.384 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000645268389 440772990 /nfs/dbraw/zinc/77/29/90/440772990.db2.gz SJKSAOUMOXFGOX-BFHYXJOUSA-N 1 3 337.468 0.373 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000645268389 440772994 /nfs/dbraw/zinc/77/29/94/440772994.db2.gz SJKSAOUMOXFGOX-BFHYXJOUSA-N 1 3 337.468 0.373 20 0 ECADHO C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000645314424 440782292 /nfs/dbraw/zinc/78/22/92/440782292.db2.gz WVCFNDZOWBYIDA-UONOGXRCSA-N 1 3 337.468 0.398 20 0 ECADHO C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000645314424 440782296 /nfs/dbraw/zinc/78/22/96/440782296.db2.gz WVCFNDZOWBYIDA-UONOGXRCSA-N 1 3 337.468 0.398 20 0 ECADHO C[C@H](CNC(=O)Cc1ccccc1C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000635254422 440797150 /nfs/dbraw/zinc/79/71/50/440797150.db2.gz DTUUNIWYBIDDAV-CABCVRRESA-N 1 3 348.491 0.975 20 0 ECADHO C[C@H](CNC(=O)Cc1ccccc1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000635254422 440797152 /nfs/dbraw/zinc/79/71/52/440797152.db2.gz DTUUNIWYBIDDAV-CABCVRRESA-N 1 3 348.491 0.975 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000635328789 440821299 /nfs/dbraw/zinc/82/12/99/440821299.db2.gz SOUHZZWHCCUQNK-CVEARBPZSA-N 1 3 327.469 0.714 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000635328789 440821306 /nfs/dbraw/zinc/82/13/06/440821306.db2.gz SOUHZZWHCCUQNK-CVEARBPZSA-N 1 3 327.469 0.714 20 0 ECADHO NC(=O)[C@H]1CCCN1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635486529 440866813 /nfs/dbraw/zinc/86/68/13/440866813.db2.gz LNLQYJMUCHQHHG-MRXNPFEDSA-N 1 3 348.491 0.803 20 0 ECADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000645624800 440871539 /nfs/dbraw/zinc/87/15/39/440871539.db2.gz FURDJGOOMLJZAX-GDBMZVCRSA-N 1 3 330.432 0.849 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000635531406 440885450 /nfs/dbraw/zinc/88/54/50/440885450.db2.gz FCWFQGBVKRZQLD-INIZCTEOSA-N 1 3 346.475 0.936 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000635531406 440885456 /nfs/dbraw/zinc/88/54/56/440885456.db2.gz FCWFQGBVKRZQLD-INIZCTEOSA-N 1 3 346.475 0.936 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000645959193 440957494 /nfs/dbraw/zinc/95/74/94/440957494.db2.gz FNXGVHGCCXDLEX-JKSUJKDBSA-N 1 3 349.479 0.630 20 0 ECADHO CN1CCC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000630937445 440985526 /nfs/dbraw/zinc/98/55/26/440985526.db2.gz HOSYWPOMWNMOJA-CAOSSQGBSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000630937445 440985530 /nfs/dbraw/zinc/98/55/30/440985530.db2.gz HOSYWPOMWNMOJA-CAOSSQGBSA-N 1 3 336.480 0.433 20 0 ECADHO CS(=O)(=O)NCC[C@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252001 440995399 /nfs/dbraw/zinc/99/53/99/440995399.db2.gz KZJSORRKPAVWGR-KGLIPLIRSA-N 1 3 331.482 0.301 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC2CCN(CCCOC)CC2)C[C@H]1C[NH3+] ZINC000652145389 441019666 /nfs/dbraw/zinc/01/96/66/441019666.db2.gz MOYOIEOITYAMGV-GDBMZVCRSA-N 1 3 342.484 0.493 20 0 ECADHO CC(C)[C@H](C(=O)N[C@H](C)C(=O)NCCN1CCCCC1)[C@H](C)[NH3+] ZINC000646557888 441075292 /nfs/dbraw/zinc/07/52/92/441075292.db2.gz AVPWINFOHTVUAO-ZNMIVQPWSA-N 1 3 326.485 0.713 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662405927 441032211 /nfs/dbraw/zinc/03/22/11/441032211.db2.gz SLVHJNMJSRNDKS-NSHDSACASA-N 1 3 336.461 0.321 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662438445 441040864 /nfs/dbraw/zinc/04/08/64/441040864.db2.gz SJCCGSHPMNKMMS-DOTOQJQBSA-N 1 3 344.459 0.925 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662438445 441040869 /nfs/dbraw/zinc/04/08/69/441040869.db2.gz SJCCGSHPMNKMMS-DOTOQJQBSA-N 1 3 344.459 0.925 20 0 ECADHO O=C(Cn1cc(C2CC[NH2+]CC2)nn1)NC1CCN(C2CC2)CC1 ZINC000641003067 441043445 /nfs/dbraw/zinc/04/34/45/441043445.db2.gz KYTYNPQEKIMUOO-UHFFFAOYSA-N 1 3 332.452 0.488 20 0 ECADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348930 441057688 /nfs/dbraw/zinc/05/76/88/441057688.db2.gz WGENNEFVXHASIK-BBWFWOEESA-N 1 3 349.479 0.597 20 0 ECADHO COC[C@@H](CC1CCOCC1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657870714 441078893 /nfs/dbraw/zinc/07/88/93/441078893.db2.gz DQQUMBTUWVFGML-IAGOWNOFSA-N 1 3 341.496 0.995 20 0 ECADHO COC[C@@H](CC1CCOCC1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657870714 441078899 /nfs/dbraw/zinc/07/88/99/441078899.db2.gz DQQUMBTUWVFGML-IAGOWNOFSA-N 1 3 341.496 0.995 20 0 ECADHO COCCN(CCN(C)C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340253078 321029925 /nfs/dbraw/zinc/02/99/25/321029925.db2.gz MGUBKTOIEGRBAL-UHFFFAOYSA-N 1 3 343.516 0.232 20 0 ECADHO COCCN1CC[C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344195313 321142915 /nfs/dbraw/zinc/14/29/15/321142915.db2.gz IMDBBKXFIQAKEA-RTBURBONSA-N 1 3 333.476 0.934 20 0 ECADHO COCCN1CC[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344195313 321142916 /nfs/dbraw/zinc/14/29/16/321142916.db2.gz IMDBBKXFIQAKEA-RTBURBONSA-N 1 3 333.476 0.934 20 0 ECADHO CN(CCNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000344822295 321166425 /nfs/dbraw/zinc/16/64/25/321166425.db2.gz AMWMLCYHOMTFKR-UHFFFAOYSA-N 1 3 348.447 0.776 20 0 ECADHO COCCOc1ccccc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347019997 321227049 /nfs/dbraw/zinc/22/70/49/321227049.db2.gz MPGFSEQDTXDJOV-INIZCTEOSA-N 1 3 335.448 0.999 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccccc2N2CCOCC2)C1 ZINC000347184684 321232974 /nfs/dbraw/zinc/23/29/74/321232974.db2.gz YFYBAVWGZUNSEV-KRWDZBQOSA-N 1 3 346.475 0.810 20 0 ECADHO Cc1nn(C)c2ncc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cc12 ZINC000347219522 321234082 /nfs/dbraw/zinc/23/40/82/321234082.db2.gz SOVHVHHXWNSUDR-CQSZACIVSA-N 1 3 330.436 0.564 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CCN1C ZINC000347962638 321260057 /nfs/dbraw/zinc/26/00/57/321260057.db2.gz AMEMTMLJEAZFLI-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO COCCN1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000349938932 321319128 /nfs/dbraw/zinc/31/91/28/321319128.db2.gz VHHHLQLFTOUMII-QGZVFWFLSA-N 1 3 349.479 0.876 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000359372530 321595157 /nfs/dbraw/zinc/59/51/57/321595157.db2.gz MTAOHUANFHVNEO-UYSNPLJNSA-N 1 3 338.496 0.776 20 0 ECADHO CCO[C@@H]1COCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000546121845 322116283 /nfs/dbraw/zinc/11/62/83/322116283.db2.gz LFXWWOJVEJLOFG-LSDHHAIUSA-N 1 3 330.473 0.315 20 0 ECADHO CC(CCN1CCCNC(=O)[C@@H]1C)CC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000560704170 322249205 /nfs/dbraw/zinc/24/92/05/322249205.db2.gz QVGHIDHDKUQYFU-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CC(CCN1CCCNC(=O)[C@@H]1C)CC[N@H+]1CCCNC(=O)[C@@H]1C ZINC000560704170 322249207 /nfs/dbraw/zinc/24/92/07/322249207.db2.gz QVGHIDHDKUQYFU-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cccc2c1CCNC2 ZINC000560937659 322251580 /nfs/dbraw/zinc/25/15/80/322251580.db2.gz RMPHEBSHTWHXSE-UHFFFAOYSA-N 1 3 330.432 0.873 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000561159141 322254914 /nfs/dbraw/zinc/25/49/14/322254914.db2.gz LFGHLDXGJSOOOU-HOTGVXAUSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000561159141 322254915 /nfs/dbraw/zinc/25/49/15/322254915.db2.gz LFGHLDXGJSOOOU-HOTGVXAUSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000561243446 322257564 /nfs/dbraw/zinc/25/75/64/322257564.db2.gz UZKRVCOAQQAHAM-CQSZACIVSA-N 1 3 338.496 0.729 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)N2CCNCC2)[C@@H](C)C1 ZINC000562956214 322289641 /nfs/dbraw/zinc/28/96/41/322289641.db2.gz OLQBJHYPJHNYBG-JKSUJKDBSA-N 1 3 326.485 0.145 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCC(=O)N2CCNCC2)[C@@H](C)C1 ZINC000562956214 322289643 /nfs/dbraw/zinc/28/96/43/322289643.db2.gz OLQBJHYPJHNYBG-JKSUJKDBSA-N 1 3 326.485 0.145 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3N(C)CCCC3(C)C)C[C@H]2[NH3+])cn1 ZINC000562981386 322290976 /nfs/dbraw/zinc/29/09/76/322290976.db2.gz IIGAPVBUWSMEEI-ARFHVFGLSA-N 1 3 348.495 0.977 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N(C)CCC[NH3+])Cc2ccccc2C1 ZINC000563455236 322321584 /nfs/dbraw/zinc/32/15/84/322321584.db2.gz VNPSPEOQGJFFEE-UHFFFAOYSA-N 1 3 332.448 0.009 20 0 ECADHO N[C@@H](Cc1ccccc1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000563522301 322324931 /nfs/dbraw/zinc/32/49/31/322324931.db2.gz SIENXBRZDBSQAV-ABHNRTSZSA-N 1 3 330.476 0.889 20 0 ECADHO N[C@@H](Cc1ccccc1)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000563522301 322324934 /nfs/dbraw/zinc/32/49/34/322324934.db2.gz SIENXBRZDBSQAV-ABHNRTSZSA-N 1 3 330.476 0.889 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000563692463 322338830 /nfs/dbraw/zinc/33/88/30/322338830.db2.gz RFQLWMKJCQWHEP-IAGOWNOFSA-N 1 3 333.480 0.444 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](O)C(F)F)CC2)CC1 ZINC000564467020 322376385 /nfs/dbraw/zinc/37/63/85/322376385.db2.gz YBQSZPWRPHQMFA-CQSZACIVSA-N 1 3 333.423 0.925 20 0 ECADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000567801245 322598260 /nfs/dbraw/zinc/59/82/60/322598260.db2.gz JXIYHSNMBKYBOQ-HZPDHXFCSA-N 1 3 336.480 0.661 20 0 ECADHO N[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@H]1c1cccc(F)c1 ZINC000567897551 322605129 /nfs/dbraw/zinc/60/51/29/322605129.db2.gz FIUXFLLDJQKZQL-LSDHHAIUSA-N 1 3 346.410 0.723 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000569228430 322647247 /nfs/dbraw/zinc/64/72/47/322647247.db2.gz UWJXYWMRBFOFPN-UHFFFAOYSA-N 1 3 336.480 0.533 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1CN1CCCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000571073259 322709649 /nfs/dbraw/zinc/70/96/49/322709649.db2.gz NLLIQXMENMKPEY-XHSDSOJGSA-N 1 3 334.464 0.141 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000571797157 322733726 /nfs/dbraw/zinc/73/37/26/322733726.db2.gz KDWANSBQTKBJFG-QXMXGUDHSA-N 1 3 329.400 0.922 20 0 ECADHO CN1CCN(C[C@H](O)C[NH2+]C[C@H](c2ccco2)N2CCCC2)CC1 ZINC000577722453 322843873 /nfs/dbraw/zinc/84/38/73/322843873.db2.gz SCDGQMCYUDJFDC-IAGOWNOFSA-N 1 3 336.480 0.614 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000579580865 322900620 /nfs/dbraw/zinc/90/06/20/322900620.db2.gz UEUPAZOBPYXJEZ-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CCN(CC)[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)c1ccco1 ZINC000580182680 322917785 /nfs/dbraw/zinc/91/77/85/322917785.db2.gz AMUGLKKGFXRLFT-SJORKVTESA-N 1 3 338.496 0.860 20 0 ECADHO C[C@@H](O)CN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000131227329 533713075 /nfs/dbraw/zinc/71/30/75/533713075.db2.gz NCOXURILTBHVFR-ZIAGYGMSSA-N 1 3 343.493 0.948 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000263259860 535891407 /nfs/dbraw/zinc/89/14/07/535891407.db2.gz LYLQBNNFACYYME-CVEARBPZSA-N 1 3 332.448 0.722 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000242679593 545934869 /nfs/dbraw/zinc/93/48/69/545934869.db2.gz CUNMJLAYTRWOFG-UHFFFAOYSA-N 1 3 345.491 0.855 20 0 ECADHO CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cn(CC[NH3+])nn1 ZINC000382689490 546190327 /nfs/dbraw/zinc/19/03/27/546190327.db2.gz APGLYMRSSHVPOO-MRXNPFEDSA-N 1 3 342.447 0.831 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)n1 ZINC000620980318 546470486 /nfs/dbraw/zinc/47/04/86/546470486.db2.gz SJGRJBZGIXKKCX-HNNXBMFYSA-N 1 3 337.468 0.628 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621643398 546533863 /nfs/dbraw/zinc/53/38/63/546533863.db2.gz FQSDXVQFQKAJAI-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621839160 546572244 /nfs/dbraw/zinc/57/22/44/546572244.db2.gz OPCPZGOADHRENH-LDDOYCOJSA-N 1 3 336.480 0.563 20 0 ECADHO O[C@@H]1CC[C@H]2CCN(CC3(C[N@@H+]4CC[C@@H]5CC[C@@H](O)[C@@H]54)COC3)[C@@H]12 ZINC000626139961 547302584 /nfs/dbraw/zinc/30/25/84/547302584.db2.gz HBZJGSAVXVLOQP-DWMDIXPDSA-N 1 3 336.476 0.693 20 0 ECADHO O[C@@H]1CC[C@H]2CCN(CC3(C[N@H+]4CC[C@@H]5CC[C@@H](O)[C@@H]54)COC3)[C@@H]12 ZINC000626139961 547302587 /nfs/dbraw/zinc/30/25/87/547302587.db2.gz HBZJGSAVXVLOQP-DWMDIXPDSA-N 1 3 336.476 0.693 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634643569 547381687 /nfs/dbraw/zinc/38/16/87/547381687.db2.gz DUGMZVHKTJUQRR-AEFFLSMTSA-N 1 3 341.496 0.288 20 0 ECADHO Cc1ccc([C@H](CNC(=O)NCCN2CC[C@@H](O)C2)[NH+](C)C)cc1 ZINC000636662339 547389479 /nfs/dbraw/zinc/38/94/79/547389479.db2.gz NACUBGGBZCDXEI-SJORKVTESA-N 1 3 334.464 0.964 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000636701220 547390207 /nfs/dbraw/zinc/39/02/07/547390207.db2.gz KGKRENLIFRVBIZ-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](CN)C1 ZINC000659696719 547447990 /nfs/dbraw/zinc/44/79/90/547447990.db2.gz MNTBWMFCPTXOBH-SDKNFDLMSA-N 1 3 336.480 0.704 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](CN)C1 ZINC000659696719 547447994 /nfs/dbraw/zinc/44/79/94/547447994.db2.gz MNTBWMFCPTXOBH-SDKNFDLMSA-N 1 3 336.480 0.704 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ncn(C)n1 ZINC000664718464 547462606 /nfs/dbraw/zinc/46/26/06/547462606.db2.gz KHIPARQOAFTANV-STQMWFEESA-N 1 3 325.461 0.447 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ncn(C)n1 ZINC000664718464 547462608 /nfs/dbraw/zinc/46/26/08/547462608.db2.gz KHIPARQOAFTANV-STQMWFEESA-N 1 3 325.461 0.447 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NCC[NH2+]C2CC2)c1 ZINC000667295515 547497755 /nfs/dbraw/zinc/49/77/55/547497755.db2.gz OBEOXWKSPDHWHH-UHFFFAOYSA-N 1 3 334.420 0.434 20 0 ECADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(N(C)C)nn1 ZINC000667481735 547524754 /nfs/dbraw/zinc/52/47/54/547524754.db2.gz FVDLCWKBNJZMPB-UHFFFAOYSA-N 1 3 337.472 0.808 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000667560791 547531266 /nfs/dbraw/zinc/53/12/66/547531266.db2.gz YOWCXDKKJZSXGE-SNVBAGLBSA-N 1 3 342.827 0.682 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000668302370 547614795 /nfs/dbraw/zinc/61/47/95/547614795.db2.gz FTLJJZZSQHVHAD-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCCC1 ZINC000668358348 547633094 /nfs/dbraw/zinc/63/30/94/547633094.db2.gz BTHAPKYIGPXMQL-AWEZNQCLSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000668547009 547682937 /nfs/dbraw/zinc/68/29/37/547682937.db2.gz ASFBSPXVCWOOTM-ZIAGYGMSSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000668547009 547682938 /nfs/dbraw/zinc/68/29/38/547682938.db2.gz ASFBSPXVCWOOTM-ZIAGYGMSSA-N 1 3 336.480 0.576 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCc4nc[nH]c4C3)C2)CC1 ZINC000668640892 547710245 /nfs/dbraw/zinc/71/02/45/547710245.db2.gz YVEKYXMFWGXYIA-UONOGXRCSA-N 1 3 331.464 0.799 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCc4nc[nH]c4C3)C2)CC1 ZINC000668640892 547710250 /nfs/dbraw/zinc/71/02/50/547710250.db2.gz YVEKYXMFWGXYIA-UONOGXRCSA-N 1 3 331.464 0.799 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CCN(CC)C1 ZINC000668831499 547762131 /nfs/dbraw/zinc/76/21/31/547762131.db2.gz WILXIIMQFHRYKH-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CCN(CC)C1 ZINC000668831499 547762133 /nfs/dbraw/zinc/76/21/33/547762133.db2.gz WILXIIMQFHRYKH-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000669144751 547839965 /nfs/dbraw/zinc/83/99/65/547839965.db2.gz UVEQCFYJVHNRJW-KBPBESRZSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000671365742 548129005 /nfs/dbraw/zinc/12/90/05/548129005.db2.gz LVJBTWCEPRYOKH-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672015403 548256609 /nfs/dbraw/zinc/25/66/09/548256609.db2.gz VZFBDUZOPXFVOG-AWEZNQCLSA-N 1 3 326.485 0.632 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672304240 548299755 /nfs/dbraw/zinc/29/97/55/548299755.db2.gz NSAIJBRJDOFCBY-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672312093 548308947 /nfs/dbraw/zinc/30/89/47/548308947.db2.gz ZNWXMTCWMKSQAY-INIZCTEOSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1csc(N(C)C)n1 ZINC000673881512 548555147 /nfs/dbraw/zinc/55/51/47/548555147.db2.gz JWMCWCYJTGNHRH-UHFFFAOYSA-N 1 3 342.513 0.844 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000752668233 579389019 /nfs/dbraw/zinc/38/90/19/579389019.db2.gz CZIWIAYCAHPCQP-DOTOQJQBSA-N 1 3 342.484 0.242 20 0 ECADHO C[C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)CN1CCN(C)CC1 ZINC000727085286 578155701 /nfs/dbraw/zinc/15/57/01/578155701.db2.gz QKMDYWHLFOQHIT-HNNXBMFYSA-N 1 3 343.585 0.922 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)CCN2CCOCC2)CC1 ZINC000733171070 578333525 /nfs/dbraw/zinc/33/35/25/578333525.db2.gz VDUXTLFYUUEQBY-MRXNPFEDSA-N 1 3 326.485 0.099 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841007498 588976076 /nfs/dbraw/zinc/97/60/76/588976076.db2.gz PCBQZGMXWZTNGR-AWEZNQCLSA-N 1 3 348.447 0.811 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000841167340 588980461 /nfs/dbraw/zinc/98/04/61/588980461.db2.gz XLBYXXCSHSGUGA-UHFFFAOYSA-N 1 3 347.463 0.493 20 0 ECADHO CN(C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)C1CNC1 ZINC000841245116 588984564 /nfs/dbraw/zinc/98/45/64/588984564.db2.gz IODANQVABQNNOH-UHFFFAOYSA-N 1 3 345.447 0.197 20 0 ECADHO CN(C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)C1CNC1 ZINC000841245116 588984565 /nfs/dbraw/zinc/98/45/65/588984565.db2.gz IODANQVABQNNOH-UHFFFAOYSA-N 1 3 345.447 0.197 20 0 ECADHO O=C(C[C@H]1CNCCO1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841847409 589002487 /nfs/dbraw/zinc/00/24/87/589002487.db2.gz XICVCBUSDSJTCP-HOTGVXAUSA-N 1 3 347.415 0.912 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000842188777 589019290 /nfs/dbraw/zinc/01/92/90/589019290.db2.gz KIPSXUDJBKPXTQ-SFHVURJKSA-N 1 3 332.448 0.350 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000842202154 589020569 /nfs/dbraw/zinc/02/05/69/589020569.db2.gz DTFHYIXDNHQSQH-UYSNPLJNSA-N 1 3 336.480 0.753 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000842233582 589023503 /nfs/dbraw/zinc/02/35/03/589023503.db2.gz WKJTVJYCVCJQFX-QGZVFWFLSA-N 1 3 346.475 0.488 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842266253 589025479 /nfs/dbraw/zinc/02/54/79/589025479.db2.gz GPHXUCPAUMWNIU-PBHICJAKSA-N 1 3 346.475 0.821 20 0 ECADHO CC[NH+](CC)CCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000891464251 586170042 /nfs/dbraw/zinc/17/00/42/586170042.db2.gz WGLGGZVEDVVUFM-HZPDHXFCSA-N 1 3 326.485 0.959 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)CN1CCN(C)CC1 ZINC000891604003 586181029 /nfs/dbraw/zinc/18/10/29/586181029.db2.gz UYNHUBOXMVUUJV-BZUAXINKSA-N 1 3 325.501 0.687 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(C)C ZINC000891881012 586203283 /nfs/dbraw/zinc/20/32/83/586203283.db2.gz SBCHBRHPRULWIL-MUJYYYPQSA-N 1 3 337.512 0.842 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892069238 586219761 /nfs/dbraw/zinc/21/97/61/586219761.db2.gz GTWPFSIZADVLCX-NCOADZHNSA-N 1 3 336.480 0.854 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892069238 586219762 /nfs/dbraw/zinc/21/97/62/586219762.db2.gz GTWPFSIZADVLCX-NCOADZHNSA-N 1 3 336.480 0.854 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000892076206 586220211 /nfs/dbraw/zinc/22/02/11/586220211.db2.gz UBDVZIDZRGWASS-HOCLYGCPSA-N 1 3 326.485 0.984 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000892482563 586268673 /nfs/dbraw/zinc/26/86/73/586268673.db2.gz YPDJCSKXFUASKC-LSDHHAIUSA-N 1 3 326.485 0.911 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](O)[C@@H](F)C3)CC2)CC1 ZINC000892521858 586271415 /nfs/dbraw/zinc/27/14/15/586271415.db2.gz HWCOHSVAIYUVLC-HOTGVXAUSA-N 1 3 342.459 0.659 20 0 ECADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000892560354 586273625 /nfs/dbraw/zinc/27/36/25/586273625.db2.gz RAOARKYCWWCIJR-SOLBZPMBSA-N 1 3 332.448 0.660 20 0 ECADHO CN(C)CCn1cc(NC(=O)C2C[NH+](C3CCOCC3)C2)ccc1=O ZINC000897217177 586288483 /nfs/dbraw/zinc/28/84/83/586288483.db2.gz LHASFFYMDZHQFT-UHFFFAOYSA-N 1 3 348.447 0.459 20 0 ECADHO CCC1([NH3+])CCN(C(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000892933770 586301481 /nfs/dbraw/zinc/30/14/81/586301481.db2.gz PALFZRKWQUOXKT-UHFFFAOYSA-N 1 3 327.473 0.262 20 0 ECADHO COC(=O)[C@H]1[C@H](CN(C)CCN(C)C2CC[NH+](C)CC2)C1(F)F ZINC000894766797 586411043 /nfs/dbraw/zinc/41/10/43/586411043.db2.gz SDGOOBCQTOZTPT-UONOGXRCSA-N 1 3 333.423 0.999 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+](C)CCO)cc2)CC1 ZINC000899733279 586505705 /nfs/dbraw/zinc/50/57/05/586505705.db2.gz AIGATIFSYZQTBU-UHFFFAOYSA-N 1 3 334.464 0.482 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+](C)CCO)cc2)CC1 ZINC000899733279 586505707 /nfs/dbraw/zinc/50/57/07/586505707.db2.gz AIGATIFSYZQTBU-UHFFFAOYSA-N 1 3 334.464 0.482 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900338787 586625574 /nfs/dbraw/zinc/62/55/74/586625574.db2.gz IEUOWOGIKLJNRK-SFHVURJKSA-N 1 3 347.463 0.619 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900338787 586625576 /nfs/dbraw/zinc/62/55/76/586625576.db2.gz IEUOWOGIKLJNRK-SFHVURJKSA-N 1 3 347.463 0.619 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000900357916 586626488 /nfs/dbraw/zinc/62/64/88/586626488.db2.gz MWVSQTYRJOPLIO-UHFFFAOYSA-N 1 3 349.479 0.895 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)C[C@@]2(O)CCCN(C)C2)CC1 ZINC000900517711 586638904 /nfs/dbraw/zinc/63/89/04/586638904.db2.gz JXWOHUNOTIHJSM-KRWDZBQOSA-N 1 3 327.469 0.450 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000843265162 589058761 /nfs/dbraw/zinc/05/87/61/589058761.db2.gz QSQHZVFXQSFROK-HZPDHXFCSA-N 1 3 348.491 0.861 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867324203 589059098 /nfs/dbraw/zinc/05/90/98/589059098.db2.gz UWQLEFDQHBSMPW-CVEARBPZSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867324203 589059100 /nfs/dbraw/zinc/05/91/00/589059100.db2.gz UWQLEFDQHBSMPW-CVEARBPZSA-N 1 3 338.496 0.585 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(-c3cnn(C)c3)no1)C2 ZINC000903492645 586779543 /nfs/dbraw/zinc/77/95/43/586779543.db2.gz IGUKDVLIQDGQAH-AHIWAGSCSA-N 1 3 345.403 0.787 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000903570024 586791763 /nfs/dbraw/zinc/79/17/63/586791763.db2.gz VSRRQYWHDPWYCX-JOCQHMNTSA-N 1 3 329.470 0.077 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C[C@H]1CC[NH3+] ZINC000903726655 586802338 /nfs/dbraw/zinc/80/23/38/586802338.db2.gz OPDFPUNEFJHQFA-BZUAXINKSA-N 1 3 336.480 0.517 20 0 ECADHO O=C1CNCCN1[C@@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903744868 586807923 /nfs/dbraw/zinc/80/79/23/586807923.db2.gz YIGBDUPQOSPTEG-HZPDHXFCSA-N 1 3 336.480 0.041 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C[C@@H]1N ZINC000903774064 586811285 /nfs/dbraw/zinc/81/12/85/586811285.db2.gz WBOJPUUJZAMPRI-AWEZNQCLSA-N 1 3 336.480 0.659 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000904971489 586851453 /nfs/dbraw/zinc/85/14/53/586851453.db2.gz IJEWXIDXFDIJDW-GPMSIDNRSA-N 1 3 348.491 0.803 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000904973767 586852130 /nfs/dbraw/zinc/85/21/30/586852130.db2.gz QPXZQOKHMJYEIA-IIDMSEBBSA-N 1 3 334.464 0.413 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)C12CC[NH+](CC1)C2 ZINC000907292889 587033405 /nfs/dbraw/zinc/03/34/05/587033405.db2.gz WSECBPJIFKEECH-KRWDZBQOSA-N 1 3 329.444 0.965 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCc2ccc(CC[NH3+])cc2)CC1=O ZINC000844165209 589097260 /nfs/dbraw/zinc/09/72/60/589097260.db2.gz URKPCGGMZGZAMB-MRXNPFEDSA-N 1 3 332.448 0.214 20 0 ECADHO O=C(/C=C/C=C/C(=O)NCC[NH+]1CCCC1)NCCN1CCCC1 ZINC000822236964 587649630 /nfs/dbraw/zinc/64/96/30/587649630.db2.gz YRKSVGMAEUJVJI-FACPPWRESA-N 1 3 334.464 0.523 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(-n2cncn2)n1 ZINC000826544421 588068542 /nfs/dbraw/zinc/06/85/42/588068542.db2.gz PUWWUYCOOHIBLG-UHFFFAOYSA-N 1 3 331.424 0.228 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC[C@H]21 ZINC000867428400 589210594 /nfs/dbraw/zinc/21/05/94/589210594.db2.gz JXWVYVNHXLZWBR-BZUAXINKSA-N 1 3 334.464 0.236 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC[C@H]21 ZINC000867428400 589210596 /nfs/dbraw/zinc/21/05/96/589210596.db2.gz JXWVYVNHXLZWBR-BZUAXINKSA-N 1 3 334.464 0.236 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000847459380 589248170 /nfs/dbraw/zinc/24/81/70/589248170.db2.gz PFEUMAKXXOKLRF-CQSZACIVSA-N 1 3 341.456 0.104 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000848238143 589284578 /nfs/dbraw/zinc/28/45/78/589284578.db2.gz NOMZJQJYUMLLAQ-HNNXBMFYSA-N 1 3 346.475 0.983 20 0 ECADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC1CCS(=O)(=O)CC1 ZINC000849052860 589318948 /nfs/dbraw/zinc/31/89/48/589318948.db2.gz QEDXBTGZVSRSMB-AWEZNQCLSA-N 1 3 330.498 0.800 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000849110337 589320373 /nfs/dbraw/zinc/32/03/73/589320373.db2.gz CUEDVHGABPXPOW-HNNXBMFYSA-N 1 3 325.501 0.943 20 0 ECADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NC[C@@H](C2CC2)[NH+](C)C)cn1 ZINC000849506163 589338735 /nfs/dbraw/zinc/33/87/35/589338735.db2.gz VBTAHXZHGHPZEB-BBWFWOEESA-N 1 3 333.480 0.912 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000867476406 589342299 /nfs/dbraw/zinc/34/22/99/589342299.db2.gz ZNRUIDXZLSQJKG-AWEZNQCLSA-N 1 3 342.484 0.994 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000867476406 589342300 /nfs/dbraw/zinc/34/23/00/589342300.db2.gz ZNRUIDXZLSQJKG-AWEZNQCLSA-N 1 3 342.484 0.994 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000851688175 589414593 /nfs/dbraw/zinc/41/45/93/589414593.db2.gz RZPULYFOKZUXOJ-MRXNPFEDSA-N 1 3 332.448 0.405 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000852863900 589519380 /nfs/dbraw/zinc/51/93/80/589519380.db2.gz KPNJRZVRNIXKGL-QLFBSQMISA-N 1 3 348.451 0.186 20 0 ECADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852888402 589522019 /nfs/dbraw/zinc/52/20/19/589522019.db2.gz WWDXLQDPMRCAGH-DOMZBBRYSA-N 1 3 331.420 0.827 20 0 ECADHO CN(C)CCCN(CCC[NH+](C)C)S(=O)(=O)N=S(C)(C)=O ZINC000866388035 589738406 /nfs/dbraw/zinc/73/84/06/589738406.db2.gz ZNMRILHVDIPODE-UHFFFAOYSA-N 1 3 342.531 0.164 20 0 ECADHO O=C(CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NC1CCCC1 ZINC000866710921 589761609 /nfs/dbraw/zinc/76/16/09/589761609.db2.gz XSDYXOZEWQPPIU-KFWWJZLASA-N 1 3 336.436 0.302 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)[C@H]1CCN(CC)C1 ZINC000867628504 589817724 /nfs/dbraw/zinc/81/77/24/589817724.db2.gz CHKIXYIEUMQVLN-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)[C@H]1CCN(CC)C1 ZINC000867628504 589817725 /nfs/dbraw/zinc/81/77/25/589817725.db2.gz CHKIXYIEUMQVLN-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000868166400 589877391 /nfs/dbraw/zinc/87/73/91/589877391.db2.gz ILDRPRQJKUVCAR-ZDUSSCGKSA-N 1 3 333.436 0.694 20 0 ECADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000868166400 589877396 /nfs/dbraw/zinc/87/73/96/589877396.db2.gz ILDRPRQJKUVCAR-ZDUSSCGKSA-N 1 3 333.436 0.694 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000868401013 589901915 /nfs/dbraw/zinc/90/19/15/589901915.db2.gz PCZREBNROUDXCQ-XJKSGUPXSA-N 1 3 332.448 0.655 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCC1(C)C ZINC000868407257 589902556 /nfs/dbraw/zinc/90/25/56/589902556.db2.gz TXYYQAFZYVURJG-SFHVURJKSA-N 1 3 336.480 0.531 20 0 ECADHO CCOC(=O)CCCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549923 590022099 /nfs/dbraw/zinc/02/20/99/590022099.db2.gz ULWDZAUCHGFQGG-CABCVRRESA-N 1 3 339.436 0.977 20 0 ECADHO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000872188395 590100498 /nfs/dbraw/zinc/10/04/98/590100498.db2.gz VEHDDKXCLPGMET-HNNXBMFYSA-N 1 3 326.485 0.764 20 0 ECADHO CC(C)(O)C[C@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000872200034 590103757 /nfs/dbraw/zinc/10/37/57/590103757.db2.gz VAVCSFWBBGRGFI-KRWDZBQOSA-N 1 3 336.480 0.705 20 0 ECADHO NC1(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCCCC1 ZINC000872264542 590109789 /nfs/dbraw/zinc/10/97/89/590109789.db2.gz UAVIHKICZGCWEE-KGLIPLIRSA-N 1 3 336.436 0.432 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NCc3cn(C[C@@H]4CCCO4)nn3)C2)CC1 ZINC000865460166 590146881 /nfs/dbraw/zinc/14/68/81/590146881.db2.gz HFDNLGXXBLOZSR-YJBOKZPZSA-N 1 3 348.495 0.715 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NCc3cn(C[C@@H]4CCCO4)nn3)C2)CC1 ZINC000865460166 590146883 /nfs/dbraw/zinc/14/68/83/590146883.db2.gz HFDNLGXXBLOZSR-YJBOKZPZSA-N 1 3 348.495 0.715 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000875021606 590263204 /nfs/dbraw/zinc/26/32/04/590263204.db2.gz LPHZTBSGSXHEOU-XJKSGUPXSA-N 1 3 334.464 0.282 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000875021606 590263206 /nfs/dbraw/zinc/26/32/06/590263206.db2.gz LPHZTBSGSXHEOU-XJKSGUPXSA-N 1 3 334.464 0.282 20 0 ECADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000875125309 590273154 /nfs/dbraw/zinc/27/31/54/590273154.db2.gz LMJJXLUWGAJNIF-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875663340 590319488 /nfs/dbraw/zinc/31/94/88/590319488.db2.gz TYEJUMINAGNLTF-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875663340 590319490 /nfs/dbraw/zinc/31/94/90/590319490.db2.gz TYEJUMINAGNLTF-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875728252 590326366 /nfs/dbraw/zinc/32/63/66/590326366.db2.gz TWAVLWZJXFRYQO-CSLYMUCUSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)[NH+]1CCC(CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000876028568 590351363 /nfs/dbraw/zinc/35/13/63/590351363.db2.gz XYXXMIDBMYEDRT-DLBZAZTESA-N 1 3 338.496 0.957 20 0 ECADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000876768319 590412631 /nfs/dbraw/zinc/41/26/31/590412631.db2.gz HMTBASDSNGUOFA-QCDWVSHVSA-N 1 3 336.480 0.065 20 0 ECADHO [NH3+]C[C@@H]1[C@H](C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1(F)F ZINC000876962063 590430199 /nfs/dbraw/zinc/43/01/99/590430199.db2.gz ZWCOTYDMRLNHEB-RRFJBIMHSA-N 1 3 339.386 0.709 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)NCCOCC[NH+](C)C ZINC000888858369 590430403 /nfs/dbraw/zinc/43/04/03/590430403.db2.gz QLYGOCJHTACECJ-OAHLLOKOSA-N 1 3 335.452 0.880 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)c2)nn1 ZINC000877207498 590444968 /nfs/dbraw/zinc/44/49/68/590444968.db2.gz YQOVDNLDEOWEEV-INIZCTEOSA-N 1 3 340.431 0.732 20 0 ECADHO NC1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)Cc2ccccc2C1 ZINC000877335692 590458527 /nfs/dbraw/zinc/45/85/27/590458527.db2.gz DPVABHIWPWRMNL-INIZCTEOSA-N 1 3 329.444 0.758 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cccc(S(N)(=O)=O)c1 ZINC000877535868 590470200 /nfs/dbraw/zinc/47/02/00/590470200.db2.gz GUWCBBBZDOSFNC-UHFFFAOYSA-N 1 3 342.509 0.649 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cccc(S(N)(=O)=O)c1 ZINC000877535868 590470202 /nfs/dbraw/zinc/47/02/02/590470202.db2.gz GUWCBBBZDOSFNC-UHFFFAOYSA-N 1 3 342.509 0.649 20 0 ECADHO C[NH+]1CCC(NC(=O)CN2CCC(CN3CCOCC3)CC2)CC1 ZINC000877969732 590489988 /nfs/dbraw/zinc/48/99/88/590489988.db2.gz GVYOSIJTGXDYBJ-UHFFFAOYSA-N 1 3 338.496 0.241 20 0 ECADHO CC(C)N1CCN(CCC[NH+]2CCC([C@H](F)C(N)=O)CC2)CC1 ZINC000879042351 590559846 /nfs/dbraw/zinc/55/98/46/590559846.db2.gz QFNFDTCBFCAJIE-INIZCTEOSA-N 1 3 328.476 0.938 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000879127020 590565511 /nfs/dbraw/zinc/56/55/11/590565511.db2.gz PVKGSABDPYZAOJ-IBGZPJMESA-N 1 3 349.475 0.650 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884845453 590632565 /nfs/dbraw/zinc/63/25/65/590632565.db2.gz UKQDEWYYQBPILA-UHFFFAOYSA-N 1 3 346.475 0.747 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883637961 590636774 /nfs/dbraw/zinc/63/67/74/590636774.db2.gz ACLHHYIZUSOZFF-GJZGRUSLSA-N 1 3 345.447 0.316 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884893550 590644519 /nfs/dbraw/zinc/64/45/19/590644519.db2.gz ICFXXUFKHXTTPQ-DLBZAZTESA-N 1 3 346.475 0.615 20 0 ECADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884973741 590659546 /nfs/dbraw/zinc/65/95/46/590659546.db2.gz DOHOKZZFKGJZQE-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCn2nncc2C1 ZINC000889332894 590684308 /nfs/dbraw/zinc/68/43/08/590684308.db2.gz NSSYQBNIJDDBNN-AWEZNQCLSA-N 1 3 337.472 0.465 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCn2nncc2C1 ZINC000889332894 590684312 /nfs/dbraw/zinc/68/43/12/590684312.db2.gz NSSYQBNIJDDBNN-AWEZNQCLSA-N 1 3 337.472 0.465 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885194672 590694026 /nfs/dbraw/zinc/69/40/26/590694026.db2.gz AQEIDFABSZIUEY-UHFFFAOYSA-N 1 3 340.493 0.882 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885204837 590695222 /nfs/dbraw/zinc/69/52/22/590695222.db2.gz QHPKQVSZKSXMOZ-UHFFFAOYSA-N 1 3 340.493 0.882 20 0 ECADHO C[C@H]1C[C@H](NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CN1C1CC1 ZINC000884233484 590784323 /nfs/dbraw/zinc/78/43/23/590784323.db2.gz QVOIDPRJIONTRY-ZFWWWQNUSA-N 1 3 329.448 0.846 20 0 ECADHO COCC[C@@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000884234035 590784721 /nfs/dbraw/zinc/78/47/21/590784721.db2.gz FSJLTYYSXRSQKJ-GOSISDBHSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000884490865 590842503 /nfs/dbraw/zinc/84/25/03/590842503.db2.gz IQCRYHUIUAIWNZ-LSDHHAIUSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCNCCC12CCC2)C(C)(C)C[NH+](C)C ZINC000884607713 590870439 /nfs/dbraw/zinc/87/04/39/590870439.db2.gz DFXLAWDGWQBQON-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CCSC1 ZINC000884612318 590871859 /nfs/dbraw/zinc/87/18/59/590871859.db2.gz JILLAVOBGHIWDP-XJKSGUPXSA-N 1 3 342.509 0.270 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884617224 590872616 /nfs/dbraw/zinc/87/26/16/590872616.db2.gz JWNWHYYNUFAASF-OAHLLOKOSA-N 1 3 336.480 0.722 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884617050 590872784 /nfs/dbraw/zinc/87/27/84/590872784.db2.gz GXAPESSWJKSSEO-STQMWFEESA-N 1 3 346.422 0.338 20 0 ECADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884652610 590884073 /nfs/dbraw/zinc/88/40/73/590884073.db2.gz ZDGHJJOPDFKVEI-IRXDYDNUSA-N 1 3 342.443 0.340 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCNCCC12CCC2)C[NH+]1CCCC1 ZINC000884669977 590887695 /nfs/dbraw/zinc/88/76/95/590887695.db2.gz LWCGVTGCDNQFIZ-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO CCN(C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)[C@H]1CC[NH2+]C1 ZINC000886994610 590915001 /nfs/dbraw/zinc/91/50/01/590915001.db2.gz ZCMPVBOECQYRQE-AWEZNQCLSA-N 1 3 348.447 0.906 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884782890 590922593 /nfs/dbraw/zinc/92/25/93/590922593.db2.gz MPQQITXMZOSJRD-QLFBSQMISA-N 1 3 334.464 0.472 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884834880 590931781 /nfs/dbraw/zinc/93/17/81/590931781.db2.gz GPUXIBWMKGDXLD-HLLBOEOZSA-N 1 3 346.475 0.676 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884834880 590931782 /nfs/dbraw/zinc/93/17/82/590931782.db2.gz GPUXIBWMKGDXLD-HLLBOEOZSA-N 1 3 346.475 0.676 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000887091308 590942351 /nfs/dbraw/zinc/94/23/51/590942351.db2.gz GYUNAOQLSSOWRQ-CYBMUJFWSA-N 1 3 333.436 0.314 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C1 ZINC000887091710 590942862 /nfs/dbraw/zinc/94/28/62/590942862.db2.gz UIZSSPUEFIBYEK-HUUCEWRRSA-N 1 3 345.447 0.187 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000890071309 591125466 /nfs/dbraw/zinc/12/54/66/591125466.db2.gz UUYOAJCWXVWPKT-MRXNPFEDSA-N 1 3 325.501 0.748 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000890071309 591125468 /nfs/dbraw/zinc/12/54/68/591125468.db2.gz UUYOAJCWXVWPKT-MRXNPFEDSA-N 1 3 325.501 0.748 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000890071309 591125471 /nfs/dbraw/zinc/12/54/71/591125471.db2.gz UUYOAJCWXVWPKT-MRXNPFEDSA-N 1 3 325.501 0.748 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000929922720 611367661 /nfs/dbraw/zinc/36/76/61/611367661.db2.gz KKPMNPVLVNZILL-BRWVUGGUSA-N 1 3 338.496 0.959 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000929922720 611367663 /nfs/dbraw/zinc/36/76/63/611367663.db2.gz KKPMNPVLVNZILL-BRWVUGGUSA-N 1 3 338.496 0.959 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@]([NH3+])(CO)C2)cc1 ZINC000923693726 611371310 /nfs/dbraw/zinc/37/13/10/611371310.db2.gz DWOXXCCFCIDSGX-OAHLLOKOSA-N 1 3 327.450 0.223 20 0 ECADHO COCCOCCOCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000930137346 611394412 /nfs/dbraw/zinc/39/44/12/611394412.db2.gz RVFMEPVZFMGBHX-ZWKOTPCHSA-N 1 3 343.512 0.624 20 0 ECADHO COCCOCCOCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000930137346 611394420 /nfs/dbraw/zinc/39/44/20/611394420.db2.gz RVFMEPVZFMGBHX-ZWKOTPCHSA-N 1 3 343.512 0.624 20 0 ECADHO COCCOCCOCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000930137346 611394425 /nfs/dbraw/zinc/39/44/25/611394425.db2.gz RVFMEPVZFMGBHX-ZWKOTPCHSA-N 1 3 343.512 0.624 20 0 ECADHO C[NH+](C)C1CCC(NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000930881261 611479225 /nfs/dbraw/zinc/47/92/25/611479225.db2.gz JOUIWWDSAMHTEH-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)CC1 ZINC000930918279 611483105 /nfs/dbraw/zinc/48/31/05/611483105.db2.gz NUFJKYOXUAVBLR-FMKPAKJESA-N 1 3 338.496 0.950 20 0 ECADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000925566601 611487228 /nfs/dbraw/zinc/48/72/28/611487228.db2.gz JYTVFFQXQUEQSF-PMPSAXMXSA-N 1 3 343.537 0.862 20 0 ECADHO CC1(C)[C@@H](NC2CCN(CCS(C)(=O)=O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925566601 611487231 /nfs/dbraw/zinc/48/72/31/611487231.db2.gz JYTVFFQXQUEQSF-PMPSAXMXSA-N 1 3 343.537 0.862 20 0 ECADHO [NH3+]CCC[C@H](NCCS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000925591513 611488930 /nfs/dbraw/zinc/48/89/30/611488930.db2.gz QHPXEGLASQLRCW-INIZCTEOSA-N 1 3 341.477 0.718 20 0 ECADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCN[C@H]2C)N(c2cc(N(C)C)ncn2)C1 ZINC000925730866 611495845 /nfs/dbraw/zinc/49/58/45/611495845.db2.gz RDWKPOWMSKNURI-YHUYYLMFSA-N 1 3 348.495 0.866 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000932042907 611595464 /nfs/dbraw/zinc/59/54/64/611595464.db2.gz IZDCTNFCSYKWTQ-HNNXBMFYSA-N 1 3 335.452 0.211 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)CC[C@@H]21 ZINC000927628543 611620632 /nfs/dbraw/zinc/62/06/32/611620632.db2.gz CIMBWPPPAVLUNM-PVAVHDDUSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)CC[C@@H]21 ZINC000927628543 611620636 /nfs/dbraw/zinc/62/06/36/611620636.db2.gz CIMBWPPPAVLUNM-PVAVHDDUSA-N 1 3 336.480 0.975 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000927813690 611637954 /nfs/dbraw/zinc/63/79/54/611637954.db2.gz ISKFUTMCYSIBKR-OCCSQVGLSA-N 1 3 348.447 0.667 20 0 ECADHO CC[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)N(CC)CC ZINC000909326687 608608098 /nfs/dbraw/zinc/60/80/98/608608098.db2.gz RZEHVSCNYIIYPA-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CCO[C@H](CNC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C)C[NH+](C)C ZINC000926844673 609057341 /nfs/dbraw/zinc/05/73/41/609057341.db2.gz MEWIBNSVUVQSQH-SOUVJXGZSA-N 1 3 330.473 0.314 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000925598938 609126237 /nfs/dbraw/zinc/12/62/37/609126237.db2.gz NWIACBCQBQFMSC-JQWIXIFHSA-N 1 3 325.425 0.981 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)CCN1C ZINC000928435980 611688045 /nfs/dbraw/zinc/68/80/45/611688045.db2.gz DYRXLZWRPNWZRA-TUVASFSCSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)CCN1C ZINC000928435980 611688046 /nfs/dbraw/zinc/68/80/46/611688046.db2.gz DYRXLZWRPNWZRA-TUVASFSCSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)CCC2)CCN1C ZINC000928435980 611688047 /nfs/dbraw/zinc/68/80/47/611688047.db2.gz DYRXLZWRPNWZRA-TUVASFSCSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)CCC2)CCN1C ZINC000928435980 611688048 /nfs/dbraw/zinc/68/80/48/611688048.db2.gz DYRXLZWRPNWZRA-TUVASFSCSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000910958039 609783056 /nfs/dbraw/zinc/78/30/56/609783056.db2.gz LRKHIQOHXIVDMC-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911027593 609791929 /nfs/dbraw/zinc/79/19/29/609791929.db2.gz FBQUUOOOMULYMQ-PMPSAXMXSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N(C)Cc1ccccc1 ZINC000911010164 609794019 /nfs/dbraw/zinc/79/40/19/609794019.db2.gz WQXKMJNALIPOIJ-MXASKKJJSA-N 1 3 344.459 0.632 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911028437 609794666 /nfs/dbraw/zinc/79/46/66/609794666.db2.gz IBTNURWMMMUDHN-KLHDSHLOSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)N1CCCCC1 ZINC000929607770 609799234 /nfs/dbraw/zinc/79/92/34/609799234.db2.gz QAZCKGBAKOIKLC-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000938484702 609811551 /nfs/dbraw/zinc/81/15/51/609811551.db2.gz MRHINMYHOIDJLJ-CABCVRRESA-N 1 3 347.463 0.791 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000938484702 609811552 /nfs/dbraw/zinc/81/15/52/609811552.db2.gz MRHINMYHOIDJLJ-CABCVRRESA-N 1 3 347.463 0.791 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000911197690 609829358 /nfs/dbraw/zinc/82/93/58/609829358.db2.gz BHZVVJCZYHHYHT-BBRMVZONSA-N 1 3 342.509 0.140 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[C@@H]1C[NH3+] ZINC000911324744 609847655 /nfs/dbraw/zinc/84/76/55/609847655.db2.gz KPPOVZNCVLKSOA-KLHDSHLOSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@H]1CC[NH3+] ZINC000911324475 609847789 /nfs/dbraw/zinc/84/77/89/609847789.db2.gz DFXKZLKQTMASPF-FPCVCCKLSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911328343 609849265 /nfs/dbraw/zinc/84/92/65/609849265.db2.gz GCNRUZJEQVYQFA-CRAIPNDOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000911396729 609866426 /nfs/dbraw/zinc/86/64/26/609866426.db2.gz ZHAYPQFSADQAOE-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000911441367 609873336 /nfs/dbraw/zinc/87/33/36/609873336.db2.gz GHXUUSBTINEOKK-FRQCXROJSA-N 1 3 348.491 0.722 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911515187 609888788 /nfs/dbraw/zinc/88/87/88/609888788.db2.gz AQZIUBUNCLWATP-FVQBIDKESA-N 1 3 330.432 0.328 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911515187 609888789 /nfs/dbraw/zinc/88/87/89/609888789.db2.gz AQZIUBUNCLWATP-FVQBIDKESA-N 1 3 330.432 0.328 20 0 ECADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911516919 609889447 /nfs/dbraw/zinc/88/94/47/609889447.db2.gz PYUNSABAIJVLAI-NUEKZKHPSA-N 1 3 330.432 0.280 20 0 ECADHO COc1ccccc1[C@@H](N)CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911667745 609904862 /nfs/dbraw/zinc/90/48/62/609904862.db2.gz RPJZZCJKOAHRIO-GUYCJALGSA-N 1 3 332.404 0.710 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000938682010 609936988 /nfs/dbraw/zinc/93/69/88/609936988.db2.gz VJSXTEILTMAFBK-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000938682010 609936989 /nfs/dbraw/zinc/93/69/89/609936989.db2.gz VJSXTEILTMAFBK-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)CC[C@@H]21 ZINC000919106234 610032766 /nfs/dbraw/zinc/03/27/66/610032766.db2.gz XMLKUCHFKFPLBV-PMPSAXMXSA-N 1 3 327.494 0.828 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)CC[C@@H]21 ZINC000919106234 610032769 /nfs/dbraw/zinc/03/27/69/610032769.db2.gz XMLKUCHFKFPLBV-PMPSAXMXSA-N 1 3 327.494 0.828 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)C(=O)CN3CCCC3)C2)C1 ZINC000939701824 610093099 /nfs/dbraw/zinc/09/30/99/610093099.db2.gz YPMXOBPALBDHOE-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)C(=O)CN3CCCC3)C2)C1 ZINC000939701824 610093101 /nfs/dbraw/zinc/09/31/01/610093101.db2.gz YPMXOBPALBDHOE-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000939336308 610165065 /nfs/dbraw/zinc/16/50/65/610165065.db2.gz PJOXVGACBUJPHO-ORIJERBGSA-N 1 3 347.463 0.646 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000939336308 610165067 /nfs/dbraw/zinc/16/50/67/610165067.db2.gz PJOXVGACBUJPHO-ORIJERBGSA-N 1 3 347.463 0.646 20 0 ECADHO CC(C)c1nc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n[nH]1 ZINC000939547538 610230048 /nfs/dbraw/zinc/23/00/48/610230048.db2.gz XHTFURNOINTSLN-ZIAGYGMSSA-N 1 3 346.479 0.960 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000940420974 610281094 /nfs/dbraw/zinc/28/10/94/610281094.db2.gz WIXXQJCMQLQHFK-OAGGEKHMSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000940420974 610281095 /nfs/dbraw/zinc/28/10/95/610281095.db2.gz WIXXQJCMQLQHFK-OAGGEKHMSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000940755529 610357927 /nfs/dbraw/zinc/35/79/27/610357927.db2.gz BWEUUISAWRYKHV-RBSFLKMASA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000940755529 610357931 /nfs/dbraw/zinc/35/79/31/610357931.db2.gz BWEUUISAWRYKHV-RBSFLKMASA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000941676466 610448959 /nfs/dbraw/zinc/44/89/59/610448959.db2.gz CPZJXLZRJGWRPP-UXLLHSPISA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000941676466 610448960 /nfs/dbraw/zinc/44/89/60/610448960.db2.gz CPZJXLZRJGWRPP-UXLLHSPISA-N 1 3 338.496 0.632 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CC4CCCC4)C3)CC2)C1 ZINC000941666157 610457829 /nfs/dbraw/zinc/45/78/29/610457829.db2.gz OHZAZQNQINMUJW-QGZVFWFLSA-N 1 3 334.508 0.957 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CC4CCCC4)C3)CC2)C1 ZINC000941666157 610457832 /nfs/dbraw/zinc/45/78/32/610457832.db2.gz OHZAZQNQINMUJW-QGZVFWFLSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@@H]1CN(CCn2cncn2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943288287 610781701 /nfs/dbraw/zinc/78/17/01/610781701.db2.gz MLVNJHINYAYONJ-NVXWUHKLSA-N 1 3 348.495 0.837 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000943411033 610828754 /nfs/dbraw/zinc/82/87/54/610828754.db2.gz PIDXQQGEIYXPML-LSDHHAIUSA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000943411033 610828756 /nfs/dbraw/zinc/82/87/56/610828756.db2.gz PIDXQQGEIYXPML-LSDHHAIUSA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000943705777 610956417 /nfs/dbraw/zinc/95/64/17/610956417.db2.gz OPOIAZVWNWUDHX-KKUMJFAQSA-N 1 3 347.463 0.756 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000943705777 610956418 /nfs/dbraw/zinc/95/64/18/610956418.db2.gz OPOIAZVWNWUDHX-KKUMJFAQSA-N 1 3 347.463 0.756 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000943914689 611038840 /nfs/dbraw/zinc/03/88/40/611038840.db2.gz ODUBQBVNCLMUMV-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000944029839 611091298 /nfs/dbraw/zinc/09/12/98/611091298.db2.gz AVHXPPDQSXTTIK-SJORKVTESA-N 1 3 348.491 0.531 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC000944086019 611119652 /nfs/dbraw/zinc/11/96/52/611119652.db2.gz COTQMDRKGNXWPF-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000944086019 611119654 /nfs/dbraw/zinc/11/96/54/611119654.db2.gz COTQMDRKGNXWPF-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CNC(=O)CN(C)C[C@@H]1CCOC1)[N@H+](C)C[C@H]1CCOC1 ZINC000929792667 611794103 /nfs/dbraw/zinc/79/41/03/611794103.db2.gz PMNZLVAZCVKFPK-OWCLPIDISA-N 1 3 327.469 0.428 20 0 ECADHO C[C@H](CNC(=O)CN(C)C[C@@H]1CCOC1)[N@@H+](C)C[C@H]1CCOC1 ZINC000929792667 611794106 /nfs/dbraw/zinc/79/41/06/611794106.db2.gz PMNZLVAZCVKFPK-OWCLPIDISA-N 1 3 327.469 0.428 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(C(=O)C2CC2)C1 ZINC000923202141 611214072 /nfs/dbraw/zinc/21/40/72/611214072.db2.gz ZYSDXGXJKYFOLM-AWEZNQCLSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(C(=O)C2CC2)C1 ZINC000923202141 611214073 /nfs/dbraw/zinc/21/40/73/611214073.db2.gz ZYSDXGXJKYFOLM-AWEZNQCLSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1[C@H](C)[C@H](C)NC(=O)[C@@H]1C ZINC000923202102 611214079 /nfs/dbraw/zinc/21/40/79/611214079.db2.gz YVANBGZMAKQUAV-XQLPTFJDSA-N 1 3 341.500 0.565 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1[C@H](C)[C@H](C)NC(=O)[C@@H]1C ZINC000923202102 611214081 /nfs/dbraw/zinc/21/40/81/611214081.db2.gz YVANBGZMAKQUAV-XQLPTFJDSA-N 1 3 341.500 0.565 20 0 ECADHO CCO[C@@H](CNC(=O)NC1CCN([C@@H]2CCOC2)CC1)C[NH+](C)C ZINC000923321533 611229369 /nfs/dbraw/zinc/22/93/69/611229369.db2.gz GVYOIWFJXMRHFV-CVEARBPZSA-N 1 3 342.484 0.506 20 0 ECADHO NCC(C[NH3+])NCCC(=O)Nc1ccc(Br)cc1F ZINC000923353113 611233264 /nfs/dbraw/zinc/23/32/64/611233264.db2.gz SWGHETLDISFWKA-UHFFFAOYSA-N 1 3 333.205 0.792 20 0 ECADHO Cc1ccc([C@H](O)CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413761 611240683 /nfs/dbraw/zinc/24/06/83/611240683.db2.gz HWELDZIJPGPPMF-HZMVEIRTSA-N 1 3 331.416 0.895 20 0 ECADHO C[C@@H]1CN(CC(=O)NCCOc2ccc3c(c2)OCO3)CC[C@@H]1C[NH3+] ZINC000923495834 611251103 /nfs/dbraw/zinc/25/11/03/611251103.db2.gz FLVKMWIOPYAAKM-ZIAGYGMSSA-N 1 3 349.431 0.827 20 0 ECADHO [NH3+]CC[C@H]1CCN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000923491730 611251444 /nfs/dbraw/zinc/25/14/44/611251444.db2.gz MISYOPOQVIKVGL-ZDUSSCGKSA-N 1 3 335.404 0.581 20 0 ECADHO C[C@H]1CN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923501810 611252354 /nfs/dbraw/zinc/25/23/54/611252354.db2.gz WAJYLVSYOAPSNY-RDJZCZTQSA-N 1 3 346.475 0.807 20 0 ECADHO COc1ccc([C@@H](C[NH3+])CN2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 ZINC000923525661 611255886 /nfs/dbraw/zinc/25/58/86/611255886.db2.gz JDIRPXWGBAOYJE-JKSUJKDBSA-N 1 3 347.459 0.701 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)c2cnccc2N(C)C)CCN1CC(=O)N(C)C ZINC000947940414 611257788 /nfs/dbraw/zinc/25/77/88/611257788.db2.gz PWJUAGXUBWAFEP-KGLIPLIRSA-N 1 3 347.463 0.819 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)c2cnccc2N(C)C)CC[N@@H+]1CC(=O)N(C)C ZINC000947940414 611257790 /nfs/dbraw/zinc/25/77/90/611257790.db2.gz PWJUAGXUBWAFEP-KGLIPLIRSA-N 1 3 347.463 0.819 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)c2cnccc2N(C)C)CC[N@H+]1CC(=O)N(C)C ZINC000947940414 611257791 /nfs/dbraw/zinc/25/77/91/611257791.db2.gz PWJUAGXUBWAFEP-KGLIPLIRSA-N 1 3 347.463 0.819 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2CC1 ZINC000946518091 611296875 /nfs/dbraw/zinc/29/68/75/611296875.db2.gz ODZKLCIWPZFOIN-FZKCQIBNSA-N 1 3 334.464 0.140 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1 ZINC000946518091 611296876 /nfs/dbraw/zinc/29/68/76/611296876.db2.gz ODZKLCIWPZFOIN-FZKCQIBNSA-N 1 3 334.464 0.140 20 0 ECADHO [NH3+][C@@H](C[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1)C1CCCC1 ZINC000923671589 611339750 /nfs/dbraw/zinc/33/97/50/611339750.db2.gz MOTJOEWBQIKHKJ-HOCLYGCPSA-N 1 3 344.525 0.756 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933845480 611752729 /nfs/dbraw/zinc/75/27/29/611752729.db2.gz FJBHPQIKXAIOAU-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933845480 611752732 /nfs/dbraw/zinc/75/27/32/611752732.db2.gz FJBHPQIKXAIOAU-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO C[NH+]1CCC2(CCN2C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000933853447 611753847 /nfs/dbraw/zinc/75/38/47/611753847.db2.gz QIZZOOVFUXSDRW-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)N1CCCCC1)C[NH+](C)C ZINC000929608242 611769543 /nfs/dbraw/zinc/76/95/43/611769543.db2.gz QZQUVFWZBTYQND-GJZGRUSLSA-N 1 3 342.484 0.060 20 0 ECADHO CN(CCNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1)C1CC1 ZINC000929711483 611783740 /nfs/dbraw/zinc/78/37/40/611783740.db2.gz HQHCEQSGFFCKKO-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000929713936 611784458 /nfs/dbraw/zinc/78/44/58/611784458.db2.gz ZIJXHGONLKPQRX-INIZCTEOSA-N 1 3 347.463 0.401 20 0 ECADHO C[C@H](CNC(=O)CN(C)C[C@H]1CCOC1)[N@H+](C)C[C@H]1CCOC1 ZINC000929792665 611794128 /nfs/dbraw/zinc/79/41/28/611794128.db2.gz PMNZLVAZCVKFPK-BZUAXINKSA-N 1 3 327.469 0.428 20 0 ECADHO C[C@H](CNC(=O)CN(C)C[C@H]1CCOC1)[N@@H+](C)C[C@H]1CCOC1 ZINC000929792665 611794130 /nfs/dbraw/zinc/79/41/30/611794130.db2.gz PMNZLVAZCVKFPK-BZUAXINKSA-N 1 3 327.469 0.428 20 0 ECADHO COCC[NH+]1CCC2(CC1)CN(C(=O)CN1CC[C@H](C)C1)CCO2 ZINC000949189043 611893904 /nfs/dbraw/zinc/89/39/04/611893904.db2.gz FFPTVMUPTIUUGA-INIZCTEOSA-N 1 3 339.480 0.668 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000950824192 611926535 /nfs/dbraw/zinc/92/65/35/611926535.db2.gz LCWITTKTNSNWTR-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000951421181 612222197 /nfs/dbraw/zinc/22/21/97/612222197.db2.gz JCSIMHKOGZYTOJ-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000952153585 612252394 /nfs/dbraw/zinc/25/23/94/612252394.db2.gz RPPIUVCEOJMZSZ-VNHYZAJKSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000952153585 612252397 /nfs/dbraw/zinc/25/23/97/612252397.db2.gz RPPIUVCEOJMZSZ-VNHYZAJKSA-N 1 3 333.436 0.400 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954490901 612322905 /nfs/dbraw/zinc/32/29/05/612322905.db2.gz FIIXNGIUUOPBBH-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954490901 612322910 /nfs/dbraw/zinc/32/29/10/612322910.db2.gz FIIXNGIUUOPBBH-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000953904610 612418776 /nfs/dbraw/zinc/41/87/76/612418776.db2.gz GLABGUXAACPHRX-HOCLYGCPSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000953904610 612418779 /nfs/dbraw/zinc/41/87/79/612418779.db2.gz GLABGUXAACPHRX-HOCLYGCPSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000953905113 612419798 /nfs/dbraw/zinc/41/97/98/612419798.db2.gz QZZBYARMTLYKRB-OAHLLOKOSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000955337889 612457405 /nfs/dbraw/zinc/45/74/05/612457405.db2.gz AEONNWZBFAKJLP-HNNXBMFYSA-N 1 3 348.491 0.768 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000955344682 612472701 /nfs/dbraw/zinc/47/27/01/612472701.db2.gz PFSQASXBCKPBHF-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000955344682 612472707 /nfs/dbraw/zinc/47/27/07/612472707.db2.gz PFSQASXBCKPBHF-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)CN1CCC(C)(C)C1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000955345522 612473374 /nfs/dbraw/zinc/47/33/74/612473374.db2.gz WJJLNOUNVFRZSO-AWEZNQCLSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)CN1CCC(C)(C)C1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000955345522 612473377 /nfs/dbraw/zinc/47/33/77/612473377.db2.gz WJJLNOUNVFRZSO-AWEZNQCLSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC000954704370 612569681 /nfs/dbraw/zinc/56/96/81/612569681.db2.gz CGOZJLGCYUBWIA-GOEBONIOSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC000954704370 612569685 /nfs/dbraw/zinc/56/96/85/612569685.db2.gz CGOZJLGCYUBWIA-GOEBONIOSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC000956056342 612655028 /nfs/dbraw/zinc/65/50/28/612655028.db2.gz GUOULLNXAIDJAB-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954847377 612741867 /nfs/dbraw/zinc/74/18/67/612741867.db2.gz UPWJAEILPLSTNQ-CQSZACIVSA-N 1 3 334.464 0.236 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325687 612856794 /nfs/dbraw/zinc/85/67/94/612856794.db2.gz LXPUOSYTYOMCFS-HUUCEWRRSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](O)CCC[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561684 735534332 /nfs/dbraw/zinc/53/43/32/735534332.db2.gz MGGVITVOQNZMMZ-INIZCTEOSA-N 1 3 341.496 0.529 20 0 ECADHO C[C@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561684 735534335 /nfs/dbraw/zinc/53/43/35/735534335.db2.gz MGGVITVOQNZMMZ-INIZCTEOSA-N 1 3 341.496 0.529 20 0 ECADHO O=C(N1CCCC[C@@H]1CN[C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001024999150 738479479 /nfs/dbraw/zinc/47/94/79/738479479.db2.gz SMSXSGRXFHFHLL-CVEARBPZSA-N 1 3 348.491 0.722 20 0 ECADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC000969723413 732088666 /nfs/dbraw/zinc/08/86/66/732088666.db2.gz YWWYSBJWUNQFOE-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC000969723413 732088672 /nfs/dbraw/zinc/08/86/72/732088672.db2.gz YWWYSBJWUNQFOE-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)C1 ZINC001025085065 738618454 /nfs/dbraw/zinc/61/84/54/738618454.db2.gz KUVDTYPZRTXIPN-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)n1 ZINC000969950765 732552508 /nfs/dbraw/zinc/55/25/08/732552508.db2.gz JNWRREZZMIFZAQ-XJKSGUPXSA-N 1 3 334.468 0.570 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC000969959180 732559467 /nfs/dbraw/zinc/55/94/67/732559467.db2.gz HGUUOKNJANABEU-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC000969959180 732559471 /nfs/dbraw/zinc/55/94/71/732559471.db2.gz HGUUOKNJANABEU-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000969955702 732560730 /nfs/dbraw/zinc/56/07/30/732560730.db2.gz RMXXDPJXDDLSRD-WMLDXEAASA-N 1 3 344.459 0.818 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000969955702 732560732 /nfs/dbraw/zinc/56/07/32/732560732.db2.gz RMXXDPJXDDLSRD-WMLDXEAASA-N 1 3 344.459 0.818 20 0 ECADHO CC[C@@H](N[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1)C(N)=O ZINC000969965520 732563637 /nfs/dbraw/zinc/56/36/37/732563637.db2.gz RMYLYPJAEAJMPY-IAGOWNOFSA-N 1 3 346.475 0.859 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1)N(C)C ZINC000969986057 732588645 /nfs/dbraw/zinc/58/86/45/732588645.db2.gz QJINHMPVXKDIMB-BMFZPTHFSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)CCC[NH+](C)C)N(C)C ZINC001078083367 782274866 /nfs/dbraw/zinc/27/48/66/782274866.db2.gz AVMOFHWODHRLOC-GOEBONIOSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001167223819 733067496 /nfs/dbraw/zinc/06/74/96/733067496.db2.gz ATAVJXSPIDFYJD-CQSZACIVSA-N 1 3 345.509 0.391 20 0 ECADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2cnnn2C)CC1 ZINC001167224110 733067579 /nfs/dbraw/zinc/06/75/79/733067579.db2.gz DPFXUGVEKOEGBU-AWEZNQCLSA-N 1 3 334.468 0.676 20 0 ECADHO C[C@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1)C(=O)N(C)C ZINC001167225721 733069405 /nfs/dbraw/zinc/06/94/05/733069405.db2.gz YJENJJAWOMHXQK-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO COC[C@H](O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225745 733069421 /nfs/dbraw/zinc/06/94/21/733069421.db2.gz ZJYXRXSBTCKKIH-LSDHHAIUSA-N 1 3 327.469 0.354 20 0 ECADHO CN(CC(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1)CC(C)(C)C ZINC001167240982 733086663 /nfs/dbraw/zinc/08/66/63/733086663.db2.gz YBRUNHYIVCVJSS-CQSZACIVSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CCC[C@@H](N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC000970177806 733134184 /nfs/dbraw/zinc/13/41/84/733134184.db2.gz GMNLPXQIGGFSPQ-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](N[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC000970451449 733550155 /nfs/dbraw/zinc/55/01/55/733550155.db2.gz RCTNBXJJWQDVBJ-HZPDHXFCSA-N 1 3 336.480 0.563 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000970799996 733948617 /nfs/dbraw/zinc/94/86/17/733948617.db2.gz KCZCYNCNFWXNIT-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C1 ZINC000971203810 734357350 /nfs/dbraw/zinc/35/73/50/734357350.db2.gz HZSLYPDKNGQAFI-SJORKVTESA-N 1 3 344.459 0.912 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2)C1 ZINC000971203810 734357355 /nfs/dbraw/zinc/35/73/55/734357355.db2.gz HZSLYPDKNGQAFI-SJORKVTESA-N 1 3 344.459 0.912 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCNC(=O)C2CC2)CC1 ZINC001167480559 734821000 /nfs/dbraw/zinc/82/10/00/734821000.db2.gz LBLCSWXBSGVNOT-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971779470 735050012 /nfs/dbraw/zinc/05/00/12/735050012.db2.gz RUKUJIDVBNCWBS-MRXNPFEDSA-N 1 3 346.479 0.687 20 0 ECADHO O=C(CN1CCCC1)N1CCC([N@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098562261 735558612 /nfs/dbraw/zinc/55/86/12/735558612.db2.gz VWKGGANJZDJQDO-INIZCTEOSA-N 1 3 339.480 0.404 20 0 ECADHO O=C(CN1CCCC1)N1CCC([N@@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098562261 735558617 /nfs/dbraw/zinc/55/86/17/735558617.db2.gz VWKGGANJZDJQDO-INIZCTEOSA-N 1 3 339.480 0.404 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3cnn(C)c3)C2)C1 ZINC000972170912 735753840 /nfs/dbraw/zinc/75/38/40/735753840.db2.gz BREZNPXXHKRBPC-IRXDYDNUSA-N 1 3 349.479 0.562 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cnn(C)c3)C2)C1 ZINC000972170912 735753846 /nfs/dbraw/zinc/75/38/46/735753846.db2.gz BREZNPXXHKRBPC-IRXDYDNUSA-N 1 3 349.479 0.562 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccn(C)c(=O)c3)C2)C1 ZINC000972334474 735960416 /nfs/dbraw/zinc/96/04/16/735960416.db2.gz HAKHMTOWWQNDEQ-NVXWUHKLSA-N 1 3 346.475 0.760 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccn(C)c(=O)c3)C2)C1 ZINC000972334474 735960417 /nfs/dbraw/zinc/96/04/17/735960417.db2.gz HAKHMTOWWQNDEQ-NVXWUHKLSA-N 1 3 346.475 0.760 20 0 ECADHO C[N@H+](CCn1cncn1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339883 735967452 /nfs/dbraw/zinc/96/74/52/735967452.db2.gz PHAULUBYWPDHAP-OAHLLOKOSA-N 1 3 334.468 0.543 20 0 ECADHO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339883 735967457 /nfs/dbraw/zinc/96/74/57/735967457.db2.gz PHAULUBYWPDHAP-OAHLLOKOSA-N 1 3 334.468 0.543 20 0 ECADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167626962 736152560 /nfs/dbraw/zinc/15/25/60/736152560.db2.gz IGICKKQCXWIJFI-HNNXBMFYSA-N 1 3 326.485 0.871 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001023128512 736523581 /nfs/dbraw/zinc/52/35/81/736523581.db2.gz HXYOPFXSGDBIEL-XHSDSOJGSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001023130577 736525890 /nfs/dbraw/zinc/52/58/90/736525890.db2.gz VDRRHWSICQLDHK-IYBDPMFKSA-N 1 3 342.447 0.890 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001023560045 737010799 /nfs/dbraw/zinc/01/07/99/737010799.db2.gz JYAIBXZRJJUTLE-CHWSQXEVSA-N 1 3 336.436 0.657 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001023560045 737010801 /nfs/dbraw/zinc/01/08/01/737010801.db2.gz JYAIBXZRJJUTLE-CHWSQXEVSA-N 1 3 336.436 0.657 20 0 ECADHO C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001087245810 737079086 /nfs/dbraw/zinc/07/90/86/737079086.db2.gz LRCRDWIEAQSOLJ-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972739696 737577732 /nfs/dbraw/zinc/57/77/32/737577732.db2.gz HCYTYIJYFZDCMH-OAHLLOKOSA-N 1 3 334.464 0.237 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001024018883 737623670 /nfs/dbraw/zinc/62/36/70/737623670.db2.gz SWKOGTXQSOHYKE-WMLDXEAASA-N 1 3 348.495 0.966 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001024155931 737782499 /nfs/dbraw/zinc/78/24/99/737782499.db2.gz DXJFYOSYSXBICT-CABCVRRESA-N 1 3 336.480 0.435 20 0 ECADHO O=C(N1CCC[C@@H](CNCc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC001024238867 737845483 /nfs/dbraw/zinc/84/54/83/737845483.db2.gz QSWXTMNXCSJFRI-ZDUSSCGKSA-N 1 3 335.477 0.962 20 0 ECADHO Cn1cc(CCN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001024800426 738305550 /nfs/dbraw/zinc/30/55/50/738305550.db2.gz FERQTWORUANPHH-IAGOWNOFSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1cc(CCN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001024800426 738305553 /nfs/dbraw/zinc/30/55/53/738305553.db2.gz FERQTWORUANPHH-IAGOWNOFSA-N 1 3 333.480 0.885 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001104691158 739489888 /nfs/dbraw/zinc/48/98/88/739489888.db2.gz KLKHKLHATWDIHC-WCVJEAGWSA-N 1 3 329.485 0.408 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000988087897 751517199 /nfs/dbraw/zinc/51/71/99/751517199.db2.gz CDDUVNWSRIAYSU-YCPHGPKFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000988087897 751517201 /nfs/dbraw/zinc/51/72/01/751517201.db2.gz CDDUVNWSRIAYSU-YCPHGPKFSA-N 1 3 336.480 0.528 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)C1 ZINC001087387521 740290079 /nfs/dbraw/zinc/29/00/79/740290079.db2.gz FUILVHGSZVIGNH-HZMVEIRTSA-N 1 3 335.492 0.879 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)C1 ZINC001087387521 740290083 /nfs/dbraw/zinc/29/00/83/740290083.db2.gz FUILVHGSZVIGNH-HZMVEIRTSA-N 1 3 335.492 0.879 20 0 ECADHO CC[C@H](C(=O)N1C[C@H](C)OC2(CC[NH+](CCCO)CC2)C1)N(C)C ZINC001098611181 740873940 /nfs/dbraw/zinc/87/39/40/740873940.db2.gz ZEYUMCKEFSPBNZ-JKSUJKDBSA-N 1 3 341.496 0.791 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CCNCc1ccn(C)n1 ZINC001105008132 741160569 /nfs/dbraw/zinc/16/05/69/741160569.db2.gz RHHQMVULVFDLDJ-OAGGEKHMSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CCNCc1ccn(C)n1 ZINC001105008132 741160571 /nfs/dbraw/zinc/16/05/71/741160571.db2.gz RHHQMVULVFDLDJ-OAGGEKHMSA-N 1 3 333.480 0.946 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001105064468 741273198 /nfs/dbraw/zinc/27/31/98/741273198.db2.gz QCAVCCCWNNQVPT-HUUCEWRRSA-N 1 3 336.484 0.730 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000974324170 741314577 /nfs/dbraw/zinc/31/45/77/741314577.db2.gz KSGFBEMWVWPVGF-YHUYYLMFSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000974324170 741314581 /nfs/dbraw/zinc/31/45/81/741314581.db2.gz KSGFBEMWVWPVGF-YHUYYLMFSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)CC[N@@H+]1C ZINC001020456729 751642308 /nfs/dbraw/zinc/64/23/08/751642308.db2.gz GHSGJNAJAOOEBK-DGADGQDISA-N 1 3 336.480 0.526 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)CC[N@H+]1C ZINC001020456729 751642315 /nfs/dbraw/zinc/64/23/15/751642315.db2.gz GHSGJNAJAOOEBK-DGADGQDISA-N 1 3 336.480 0.526 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001026734616 741740130 /nfs/dbraw/zinc/74/01/30/741740130.db2.gz QPMIORGHKNFNGB-DZGCQCFKSA-N 1 3 333.436 0.518 20 0 ECADHO C[NH+](C)CCC(=O)N1CC(n2cc(CNCCCCCF)nn2)C1 ZINC001105320834 741772630 /nfs/dbraw/zinc/77/26/30/741772630.db2.gz LSDUMGFPYOYHOP-UHFFFAOYSA-N 1 3 340.447 0.843 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974588592 741915650 /nfs/dbraw/zinc/91/56/50/741915650.db2.gz BEBNOBFTVXVDEN-UKRRQHHQSA-N 1 3 343.431 0.107 20 0 ECADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000893392473 742017223 /nfs/dbraw/zinc/01/72/23/742017223.db2.gz IKQIVKQRMQTAIF-DZGCQCFKSA-N 1 3 341.477 0.935 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]C[C@H]3CCc4ncnn43)C2)CCC1 ZINC001026885917 742026440 /nfs/dbraw/zinc/02/64/40/742026440.db2.gz OXGIUPWFNYKIFK-HUUCEWRRSA-N 1 3 346.479 0.688 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001026888207 742046074 /nfs/dbraw/zinc/04/60/74/742046074.db2.gz AHEDNVHKUTYXRX-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2c(C)nnn2CC)C1)N(C)C ZINC001026916743 742093383 /nfs/dbraw/zinc/09/33/83/742093383.db2.gz NJBYBOWSCUANDH-LSDHHAIUSA-N 1 3 336.484 0.885 20 0 ECADHO C[C@@H](NC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1nncn1C ZINC001026939625 742135324 /nfs/dbraw/zinc/13/53/24/742135324.db2.gz MBPPQUZKTRNMQL-CABCVRRESA-N 1 3 346.479 0.943 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001026940081 742136357 /nfs/dbraw/zinc/13/63/57/742136357.db2.gz YUVJAZGZQUYVEN-HNNXBMFYSA-N 1 3 346.479 0.865 20 0 ECADHO Cn1cnnc1CNC[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027066812 742418797 /nfs/dbraw/zinc/41/87/97/742418797.db2.gz ZTEUJGSABBBPJZ-CQSZACIVSA-N 1 3 334.468 0.485 20 0 ECADHO Cn1cnnc1CNC[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027066812 742418799 /nfs/dbraw/zinc/41/87/99/742418799.db2.gz ZTEUJGSABBBPJZ-CQSZACIVSA-N 1 3 334.468 0.485 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997004540 743117625 /nfs/dbraw/zinc/11/76/25/743117625.db2.gz DONZMYZWSKWVTQ-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997004540 743117630 /nfs/dbraw/zinc/11/76/30/743117630.db2.gz DONZMYZWSKWVTQ-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]C[C@H]3CCc4ncnn43)CC2)C1 ZINC000997004752 743118436 /nfs/dbraw/zinc/11/84/36/743118436.db2.gz GMZAIGYEFCTFSZ-GDBMZVCRSA-N 1 3 346.479 0.688 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CNCc3cc4n(n3)CCC4)C2)C1 ZINC001027216139 743190644 /nfs/dbraw/zinc/19/06/44/743190644.db2.gz RRFUTIAFNBDAMJ-HUUCEWRRSA-N 1 3 331.464 0.719 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CNCc3cc4n(n3)CCC4)C2)C1 ZINC001027216139 743190647 /nfs/dbraw/zinc/19/06/47/743190647.db2.gz RRFUTIAFNBDAMJ-HUUCEWRRSA-N 1 3 331.464 0.719 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CNCc3cn(CC4CC4)nn3)C2)C1 ZINC001027216089 743191235 /nfs/dbraw/zinc/19/12/35/743191235.db2.gz QYPSITWQOBKTJW-CVEARBPZSA-N 1 3 346.479 0.578 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CNCc3cn(CC4CC4)nn3)C2)C1 ZINC001027216089 743191244 /nfs/dbraw/zinc/19/12/44/743191244.db2.gz QYPSITWQOBKTJW-CVEARBPZSA-N 1 3 346.479 0.578 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000997392345 743565233 /nfs/dbraw/zinc/56/52/33/743565233.db2.gz JIFALENJVLRUET-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCc4ncnn43)C2)C1 ZINC001020591441 751858476 /nfs/dbraw/zinc/85/84/76/751858476.db2.gz NUWZPUPBHCOEHJ-RBSFLKMASA-N 1 3 346.479 0.734 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000997823312 743837591 /nfs/dbraw/zinc/83/75/91/743837591.db2.gz KTDDNIZLHKZCLL-HZPDHXFCSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997836155 743844298 /nfs/dbraw/zinc/84/42/98/743844298.db2.gz GLKGTMABINRGTR-ZFWWWQNUSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCO)C2)CCC1 ZINC000998267060 744087107 /nfs/dbraw/zinc/08/71/07/744087107.db2.gz MCPHURCBZYAHNW-RYUDHWBXSA-N 1 3 337.386 0.832 20 0 ECADHO CN(CC(=O)N1C[C@]2(C)C[N@@H+]([C@H]3CCNC3=O)C[C@]2(C)C1)C1CCC1 ZINC000982297204 751904018 /nfs/dbraw/zinc/90/40/18/751904018.db2.gz ACWFVNHZWBQMCB-ZYSHUDEJSA-N 1 3 348.491 0.530 20 0 ECADHO CN(CC(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCNC3=O)C[C@]2(C)C1)C1CCC1 ZINC000982297204 751904028 /nfs/dbraw/zinc/90/40/28/751904028.db2.gz ACWFVNHZWBQMCB-ZYSHUDEJSA-N 1 3 348.491 0.530 20 0 ECADHO O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998657145 744271212 /nfs/dbraw/zinc/27/12/12/744271212.db2.gz UTQOVYMHXOODKQ-ILXRZTDVSA-N 1 3 343.431 0.296 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC000998931850 744412014 /nfs/dbraw/zinc/41/20/14/744412014.db2.gz SAKYVLCVSXSEFF-INIZCTEOSA-N 1 3 336.480 0.528 20 0 ECADHO COCCOCC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167901413 751923020 /nfs/dbraw/zinc/92/30/20/751923020.db2.gz UQLTXIHBZCLGNK-UHFFFAOYSA-N 1 3 338.452 0.800 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1)C1CC1 ZINC000999367036 744657220 /nfs/dbraw/zinc/65/72/20/744657220.db2.gz DLJMNNBMIYSZJT-DLBZAZTESA-N 1 3 333.480 0.883 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1)C1CC1 ZINC000999369005 744660077 /nfs/dbraw/zinc/66/00/77/744660077.db2.gz IHFXZQGTWQQZDB-WBVHZDCISA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1)C1CC1 ZINC000999370973 744661990 /nfs/dbraw/zinc/66/19/90/744661990.db2.gz MATBFCRPXVSCKM-RDJZCZTQSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21 ZINC000977198069 744773342 /nfs/dbraw/zinc/77/33/42/744773342.db2.gz XTKTXPVKOXSOMA-XHWCBRGXSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21 ZINC000977198069 744773344 /nfs/dbraw/zinc/77/33/44/744773344.db2.gz XTKTXPVKOXSOMA-XHWCBRGXSA-N 1 3 348.491 0.528 20 0 ECADHO Cc1cnc(CNC2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000999698616 744849522 /nfs/dbraw/zinc/84/95/22/744849522.db2.gz QUXONPOWIUWZSB-UHFFFAOYSA-N 1 3 329.448 0.960 20 0 ECADHO COc1ccc(CNC2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000999711726 744860613 /nfs/dbraw/zinc/86/06/13/744860613.db2.gz YXGIXZHLLOPSHP-UHFFFAOYSA-N 1 3 345.447 0.660 20 0 ECADHO COc1coc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)cc1=O ZINC000999834100 744929238 /nfs/dbraw/zinc/92/92/38/744929238.db2.gz RAVRSTPJXJGEBJ-UHFFFAOYSA-N 1 3 349.431 0.823 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000999834839 744929896 /nfs/dbraw/zinc/92/98/96/744929896.db2.gz XJUKTAAARVVPIP-UHFFFAOYSA-N 1 3 344.459 0.960 20 0 ECADHO COc1ccc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000999836960 744932613 /nfs/dbraw/zinc/93/26/13/744932613.db2.gz MPEGPBWOIFGVBB-GRTSSRMGSA-N 1 3 333.436 0.516 20 0 ECADHO COc1ccc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000999836960 744932615 /nfs/dbraw/zinc/93/26/15/744932615.db2.gz MPEGPBWOIFGVBB-GRTSSRMGSA-N 1 3 333.436 0.516 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999848695 744941454 /nfs/dbraw/zinc/94/14/54/744941454.db2.gz PQAFGKCBFDIIPF-KKUMJFAQSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999848695 744941456 /nfs/dbraw/zinc/94/14/56/744941456.db2.gz PQAFGKCBFDIIPF-KKUMJFAQSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020676023 751960124 /nfs/dbraw/zinc/96/01/24/751960124.db2.gz OMUDKOJXISIFII-DZKIICNBSA-N 1 3 334.468 0.815 20 0 ECADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020676023 751960126 /nfs/dbraw/zinc/96/01/26/751960126.db2.gz OMUDKOJXISIFII-DZKIICNBSA-N 1 3 334.468 0.815 20 0 ECADHO CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1)N1CCCCC1 ZINC000983676875 745045575 /nfs/dbraw/zinc/04/55/75/745045575.db2.gz DKRHNOOIGZFMNS-KKUMJFAQSA-N 1 3 336.480 0.624 20 0 ECADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC000983716429 745093049 /nfs/dbraw/zinc/09/30/49/745093049.db2.gz OYXIFZOXRMHUGM-HJWJTTGWSA-N 1 3 347.463 0.268 20 0 ECADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)n1 ZINC000983716429 745093057 /nfs/dbraw/zinc/09/30/57/745093057.db2.gz OYXIFZOXRMHUGM-HJWJTTGWSA-N 1 3 347.463 0.268 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029107583 745098688 /nfs/dbraw/zinc/09/86/88/745098688.db2.gz POZOSQYNFTVSLH-CXAGYDPISA-N 1 3 348.495 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001029112294 745109015 /nfs/dbraw/zinc/10/90/15/745109015.db2.gz ZGJRQYDATSFOJO-XJKSGUPXSA-N 1 3 336.484 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001029112293 745109100 /nfs/dbraw/zinc/10/91/00/745109100.db2.gz ZGJRQYDATSFOJO-CZUORRHYSA-N 1 3 336.484 0.872 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173864 745216112 /nfs/dbraw/zinc/21/61/12/745216112.db2.gz SGWCZTKQBABJRL-AWEZNQCLSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001000189944 745326614 /nfs/dbraw/zinc/32/66/14/745326614.db2.gz FJFNHTZFDNDBKU-CABCVRRESA-N 1 3 337.468 0.077 20 0 ECADHO Cn1ccc(CN2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)cc1=O ZINC001028263650 751992686 /nfs/dbraw/zinc/99/26/86/751992686.db2.gz VJYQFASKWIEMLT-MRXNPFEDSA-N 1 3 344.459 0.562 20 0 ECADHO C[N@H+](CCn1cncn1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577934 745757594 /nfs/dbraw/zinc/75/75/94/745757594.db2.gz XVSBFLFEBLWNDQ-INIZCTEOSA-N 1 3 348.495 0.933 20 0 ECADHO C[N@@H+](CCn1cncn1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577934 745757600 /nfs/dbraw/zinc/75/76/00/745757600.db2.gz XVSBFLFEBLWNDQ-INIZCTEOSA-N 1 3 348.495 0.933 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001000919598 745899631 /nfs/dbraw/zinc/89/96/31/745899631.db2.gz PWQSCKWNUBLLAV-IRXDYDNUSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001000919598 745899641 /nfs/dbraw/zinc/89/96/41/745899641.db2.gz PWQSCKWNUBLLAV-IRXDYDNUSA-N 1 3 344.459 0.818 20 0 ECADHO COc1coc(C[NH2+][C@H]2CCCN(C(=O)CN3CCCC3)C2)cc1=O ZINC001000939327 745916571 /nfs/dbraw/zinc/91/65/71/745916571.db2.gz ZQPMZMMEBRHAQW-AWEZNQCLSA-N 1 3 349.431 0.825 20 0 ECADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001000988265 745954059 /nfs/dbraw/zinc/95/40/59/745954059.db2.gz MNXNIWDHZUXBED-CJNGLKHVSA-N 1 3 332.448 0.816 20 0 ECADHO CN(C)Cc1ccsc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000978230401 746062115 /nfs/dbraw/zinc/06/21/15/746062115.db2.gz ZCPWUQLZLPBEJL-XYYAHUGASA-N 1 3 336.461 0.203 20 0 ECADHO CN(C)Cc1ccsc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978230401 746062123 /nfs/dbraw/zinc/06/21/23/746062123.db2.gz ZCPWUQLZLPBEJL-XYYAHUGASA-N 1 3 336.461 0.203 20 0 ECADHO CCCN(C)CC(=O)N1CCC([NH2+]CCCN2CCCC2=O)CC1 ZINC001203443509 746665429 /nfs/dbraw/zinc/66/54/29/746665429.db2.gz VKMXLEFQRNUGTI-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CC1CCN(CC(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001001996699 746871946 /nfs/dbraw/zinc/87/19/46/746871946.db2.gz WYFSUMRCGODKLF-MRXNPFEDSA-N 1 3 336.480 0.245 20 0 ECADHO CC1CCN(CC(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001001996699 746871951 /nfs/dbraw/zinc/87/19/51/746871951.db2.gz WYFSUMRCGODKLF-MRXNPFEDSA-N 1 3 336.480 0.245 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001001998262 746875128 /nfs/dbraw/zinc/87/51/28/746875128.db2.gz LMFGEHSLWNRDDQ-OAHLLOKOSA-N 1 3 336.480 0.245 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001001998262 746875131 /nfs/dbraw/zinc/87/51/31/746875131.db2.gz LMFGEHSLWNRDDQ-OAHLLOKOSA-N 1 3 336.480 0.245 20 0 ECADHO CCn1ccc(CNCCCNC(=O)c2cnn(CC[NH+](C)C)c2)n1 ZINC001168051732 747383818 /nfs/dbraw/zinc/38/38/18/747383818.db2.gz HQXNVKITQDSGOB-UHFFFAOYSA-N 1 3 347.467 0.571 20 0 ECADHO CN(C[C@@H]1CCCN1C(=O)CN1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001002527383 747474743 /nfs/dbraw/zinc/47/47/43/747474743.db2.gz KAAJHMHURRAOBX-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@@H]1CCCN1C(=O)CN1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001002527383 747474745 /nfs/dbraw/zinc/47/47/45/747474745.db2.gz KAAJHMHURRAOBX-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)CN1CCC(C)(C)C1 ZINC001213446167 747482612 /nfs/dbraw/zinc/48/26/12/747482612.db2.gz CQYZOWZVHRDQFJ-HZPDHXFCSA-N 1 3 341.496 0.959 20 0 ECADHO CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)CN1CCC(C)(C)C1 ZINC001213446167 747482614 /nfs/dbraw/zinc/48/26/14/747482614.db2.gz CQYZOWZVHRDQFJ-HZPDHXFCSA-N 1 3 341.496 0.959 20 0 ECADHO CO[C@@H]1CN(CCOC(C)C)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001213446167 747482616 /nfs/dbraw/zinc/48/26/16/747482616.db2.gz CQYZOWZVHRDQFJ-HZPDHXFCSA-N 1 3 341.496 0.959 20 0 ECADHO CO[C@@H]1CN(CCOC(C)C)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001213446167 747482620 /nfs/dbraw/zinc/48/26/20/747482620.db2.gz CQYZOWZVHRDQFJ-HZPDHXFCSA-N 1 3 341.496 0.959 20 0 ECADHO CN1CC[C@@H](N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172469 747680896 /nfs/dbraw/zinc/68/08/96/747680896.db2.gz OCBQZDIKQDNODV-OWCLPIDISA-N 1 3 346.475 0.093 20 0 ECADHO C[C@H](NCc1cnn(C)c1)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC000979372412 747699135 /nfs/dbraw/zinc/69/91/35/747699135.db2.gz LZNSSIMPJPUAKB-YOEHRIQHSA-N 1 3 349.479 0.467 20 0 ECADHO Cn1cc(CC[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000985331541 747715945 /nfs/dbraw/zinc/71/59/45/747715945.db2.gz HQVWOVDYNCRVEQ-KRWDZBQOSA-N 1 3 333.480 0.980 20 0 ECADHO Cn1cc(CC[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000985331541 747715951 /nfs/dbraw/zinc/71/59/51/747715951.db2.gz HQVWOVDYNCRVEQ-KRWDZBQOSA-N 1 3 333.480 0.980 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001029672812 748028401 /nfs/dbraw/zinc/02/84/01/748028401.db2.gz OVDGENWGQODKOS-DLBZAZTESA-N 1 3 346.475 0.760 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001029672812 748028405 /nfs/dbraw/zinc/02/84/05/748028405.db2.gz OVDGENWGQODKOS-DLBZAZTESA-N 1 3 346.475 0.760 20 0 ECADHO CN(CC(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1)C1CCC1 ZINC000985468487 748194731 /nfs/dbraw/zinc/19/47/31/748194731.db2.gz VMEKBPNGXZKTIR-INIZCTEOSA-N 1 3 336.480 0.624 20 0 ECADHO CN(CC(=O)N1CCC([N@@H+](C)[C@H]2CCN(C)C2=O)CC1)C1CCC1 ZINC000985468487 748194736 /nfs/dbraw/zinc/19/47/36/748194736.db2.gz VMEKBPNGXZKTIR-INIZCTEOSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@H]1CCN(C)C1=O ZINC001029777966 748350106 /nfs/dbraw/zinc/35/01/06/748350106.db2.gz XANHJENJYKSWQJ-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CCN(C)C1=O ZINC001029777967 748351154 /nfs/dbraw/zinc/35/11/54/748351154.db2.gz XANHJENJYKSWQJ-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000979781773 748382834 /nfs/dbraw/zinc/38/28/34/748382834.db2.gz ADYUVLAUVMKBJQ-LVQVYYBASA-N 1 3 336.480 0.291 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000979781773 748382840 /nfs/dbraw/zinc/38/28/40/748382840.db2.gz ADYUVLAUVMKBJQ-LVQVYYBASA-N 1 3 336.480 0.291 20 0 ECADHO CN(C)C1(C(=O)N2CCCCC[C@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001088326034 748728844 /nfs/dbraw/zinc/72/88/44/748728844.db2.gz FBCTVQFNEFOIIL-LSDHHAIUSA-N 1 3 336.480 0.720 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088349711 748871627 /nfs/dbraw/zinc/87/16/27/748871627.db2.gz CAVPNXACPWXYAG-LPMVOBIJSA-N 1 3 337.464 0.203 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001088381870 748981268 /nfs/dbraw/zinc/98/12/68/748981268.db2.gz OWQAKEQZFFHTIQ-SJORKVTESA-N 1 3 348.495 0.981 20 0 ECADHO CN(Cc1cnn(C)c1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985756443 749020642 /nfs/dbraw/zinc/02/06/42/749020642.db2.gz PHMJTQRENGTDCE-UHFFFAOYSA-N 1 3 331.464 0.939 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001003968116 749091256 /nfs/dbraw/zinc/09/12/56/749091256.db2.gz QZFORDJIEISNFB-RDJZCZTQSA-N 1 3 348.495 0.979 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(CCN3CCCC3=O)CC2)C1 ZINC001003970929 749093431 /nfs/dbraw/zinc/09/34/31/749093431.db2.gz ONNWERJILUJQFD-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(CCN3CCCC3=O)CC2)C1 ZINC001003970929 749093435 /nfs/dbraw/zinc/09/34/35/749093435.db2.gz ONNWERJILUJQFD-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO Cn1nccc1CCN1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003973674 749095509 /nfs/dbraw/zinc/09/55/09/749095509.db2.gz DUBIXVIGNDAWJI-HNNXBMFYSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CCN1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003973674 749095513 /nfs/dbraw/zinc/09/55/13/749095513.db2.gz DUBIXVIGNDAWJI-HNNXBMFYSA-N 1 3 333.480 0.885 20 0 ECADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@@H]2C1)[NH+]1CCCC1 ZINC000980166100 749100423 /nfs/dbraw/zinc/10/04/23/749100423.db2.gz DXASJDRDQUFOMK-QLFBSQMISA-N 1 3 336.480 0.563 20 0 ECADHO O=C(NC[C@@H]1CCCN1CCn1cccn1)[C@H]1C[NH+]2CCC1CC2 ZINC001027886683 749113534 /nfs/dbraw/zinc/11/35/34/749113534.db2.gz WACRDKKXYCNRLO-IRXDYDNUSA-N 1 3 331.464 0.806 20 0 ECADHO Cn1ccc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1=O ZINC000985791992 749114407 /nfs/dbraw/zinc/11/44/07/749114407.db2.gz LLVNNHYSESGPTF-UHFFFAOYSA-N 1 3 346.475 0.904 20 0 ECADHO Cn1ccc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1=O ZINC000985791992 749114413 /nfs/dbraw/zinc/11/44/13/749114413.db2.gz LLVNNHYSESGPTF-UHFFFAOYSA-N 1 3 346.475 0.904 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC000980172578 749121651 /nfs/dbraw/zinc/12/16/51/749121651.db2.gz XVGFRWRJQUIAFY-QLFBSQMISA-N 1 3 336.480 0.420 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC000980172578 749121657 /nfs/dbraw/zinc/12/16/57/749121657.db2.gz XVGFRWRJQUIAFY-QLFBSQMISA-N 1 3 336.480 0.420 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985803078 749137076 /nfs/dbraw/zinc/13/70/76/749137076.db2.gz APASXCGRGDAGEU-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985803078 749137080 /nfs/dbraw/zinc/13/70/80/749137080.db2.gz APASXCGRGDAGEU-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[C@H](C(=O)N1CCCCC[C@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001088431387 749206796 /nfs/dbraw/zinc/20/67/96/749206796.db2.gz SSMUNQKGRRRMAT-DOTOQJQBSA-N 1 3 338.496 0.953 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980479819 749629852 /nfs/dbraw/zinc/62/98/52/749629852.db2.gz XUIUIWXYEPEZDK-MRXNPFEDSA-N 1 3 334.468 0.687 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001167815389 749856693 /nfs/dbraw/zinc/85/66/93/749856693.db2.gz SRTKGJKRXDJDML-UHFFFAOYSA-N 1 3 333.498 0.249 20 0 ECADHO Cc1nnc(CNC[C@@H]2C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000980691507 749977811 /nfs/dbraw/zinc/97/78/11/749977811.db2.gz DXCWDWMIJTVJFC-JSGCOSHPSA-N 1 3 334.468 0.782 20 0 ECADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N[C@H](C)C(C)C)C1 ZINC001100901711 750174021 /nfs/dbraw/zinc/17/40/21/750174021.db2.gz KBTWCRAPJVUALK-QQFBHYJXSA-N 1 3 340.512 0.973 20 0 ECADHO C[C@H]1[C@H](NCc2cncn2C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987278076 750688657 /nfs/dbraw/zinc/68/86/57/750688657.db2.gz HQLTWSSUMOUAGO-WMLDXEAASA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H]1[C@H]([NH2+]Cc2cccc(C(N)=O)c2)CCN1C(=O)CN1CCCC1 ZINC000987527548 750932919 /nfs/dbraw/zinc/93/29/19/750932919.db2.gz WJYVSZKTIQBJNR-WMLDXEAASA-N 1 3 344.459 0.960 20 0 ECADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)CCN1C(=O)CN1CCCC1 ZINC000987527549 750933017 /nfs/dbraw/zinc/93/30/17/750933017.db2.gz WJYVSZKTIQBJNR-YOEHRIQHSA-N 1 3 344.459 0.960 20 0 ECADHO C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(C(=O)CN2CCCC2)C1 ZINC001006135546 751060232 /nfs/dbraw/zinc/06/02/32/751060232.db2.gz CRPSDHDSMLJWEE-YOEHRIQHSA-N 1 3 348.491 0.387 20 0 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ZINC000938101490 753276135 /nfs/dbraw/zinc/27/61/35/753276135.db2.gz TVQPEBRZZKSBHR-HOCLYGCPSA-N 1 3 347.463 0.932 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000938101490 753276139 /nfs/dbraw/zinc/27/61/39/753276139.db2.gz TVQPEBRZZKSBHR-HOCLYGCPSA-N 1 3 347.463 0.932 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC001008352242 753646327 /nfs/dbraw/zinc/64/63/27/753646327.db2.gz MCOFGSXVWBVKEL-DZGCQCFKSA-N 1 3 347.463 0.647 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC001008352242 753646330 /nfs/dbraw/zinc/64/63/30/753646330.db2.gz MCOFGSXVWBVKEL-DZGCQCFKSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001014102129 762252999 /nfs/dbraw/zinc/25/29/99/762252999.db2.gz ICDZDCFLIBRGTI-DOMZBBRYSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000989449489 753944898 /nfs/dbraw/zinc/94/48/98/753944898.db2.gz 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Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000996624554 758243415 /nfs/dbraw/zinc/24/34/15/758243415.db2.gz YPAUEARVIIMAPW-NVXWUHKLSA-N 1 3 347.463 0.364 20 0 ECADHO Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000996624556 758243706 /nfs/dbraw/zinc/24/37/06/758243706.db2.gz YPAUEARVIIMAPW-WBVHZDCISA-N 1 3 347.463 0.364 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)o1 ZINC001022119432 758301604 /nfs/dbraw/zinc/30/16/04/758301604.db2.gz GBAWLDGVIRMZMO-IVSAIRAKSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)o1 ZINC001022119432 758301613 /nfs/dbraw/zinc/30/16/13/758301613.db2.gz GBAWLDGVIRMZMO-IVSAIRAKSA-N 1 3 348.447 0.891 20 0 ECADHO CCn1cc(CNC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000996674260 758423718 /nfs/dbraw/zinc/42/37/18/758423718.db2.gz BGRJYLAPDIYKBR-INIZCTEOSA-N 1 3 334.468 0.719 20 0 ECADHO CN(CC(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1)C1CCC1 ZINC000996671571 758435081 /nfs/dbraw/zinc/43/50/81/758435081.db2.gz HSASHXFYHDOYFV-MRXNPFEDSA-N 1 3 346.479 0.830 20 0 ECADHO C[C@H]1CCCN1CC(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060319650 762628260 /nfs/dbraw/zinc/62/82/60/762628260.db2.gz BHADBOCTQMQJDJ-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1)N(C)C ZINC000996689114 758477577 /nfs/dbraw/zinc/47/75/77/758477577.db2.gz TUUUNHVITNGNKV-KRWDZBQOSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CC2CCOCC2)C1)N(C)C ZINC001051665859 762634972 /nfs/dbraw/zinc/63/49/72/762634972.db2.gz YBYYJDSLEDWENS-IRXDYDNUSA-N 1 3 341.496 0.816 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1)[NH+](C)C ZINC001051666901 762638075 /nfs/dbraw/zinc/63/80/75/762638075.db2.gz IBBPOVXOEFBQTI-CVEARBPZSA-N 1 3 337.468 0.323 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC000996710756 758555636 /nfs/dbraw/zinc/55/56/36/758555636.db2.gz FKZMTDNLHKCJQT-DZGCQCFKSA-N 1 3 345.509 0.342 20 0 ECADHO COc1ccc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC001127780183 758637505 /nfs/dbraw/zinc/63/75/05/758637505.db2.gz WOYFLLNFYBNBRE-GJZGRUSLSA-N 1 3 334.420 0.159 20 0 ECADHO COc1ccc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC001127780183 758637508 /nfs/dbraw/zinc/63/75/08/758637508.db2.gz WOYFLLNFYBNBRE-GJZGRUSLSA-N 1 3 334.420 0.159 20 0 ECADHO O=C(N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299536 758741846 /nfs/dbraw/zinc/74/18/46/758741846.db2.gz GGTFLKSMQNRFJU-BZUAXINKSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022452998 758745081 /nfs/dbraw/zinc/74/50/81/758745081.db2.gz VUUDVHISQMHXEJ-LWVGGODOSA-N 1 3 342.443 0.682 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022455101 758746018 /nfs/dbraw/zinc/74/60/18/758746018.db2.gz GZCDADAEJUFTTR-VLBSVHGGSA-N 1 3 335.448 0.123 20 0 ECADHO CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001022712268 759024590 /nfs/dbraw/zinc/02/45/90/759024590.db2.gz OEBQQNLHWJVELD-YUELXQCFSA-N 1 3 334.468 0.828 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001022712380 759024688 /nfs/dbraw/zinc/02/46/88/759024688.db2.gz PRXPNBLCJMOPSK-KBXIAJHMSA-N 1 3 332.452 0.487 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001022712381 759026717 /nfs/dbraw/zinc/02/67/17/759026717.db2.gz PRXPNBLCJMOPSK-XQLPTFJDSA-N 1 3 332.452 0.487 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022720871 759044081 /nfs/dbraw/zinc/04/40/81/759044081.db2.gz SWBKQDLKKNFBCC-REBRKWNGSA-N 1 3 334.468 0.541 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022720871 759044090 /nfs/dbraw/zinc/04/40/90/759044090.db2.gz SWBKQDLKKNFBCC-REBRKWNGSA-N 1 3 334.468 0.541 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001022721443 759045380 /nfs/dbraw/zinc/04/53/80/759045380.db2.gz XFCIXDHGRHLOTQ-REBRKWNGSA-N 1 3 333.436 0.420 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001022721443 759045386 /nfs/dbraw/zinc/04/53/86/759045386.db2.gz XFCIXDHGRHLOTQ-REBRKWNGSA-N 1 3 333.436 0.420 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001022838691 759159409 /nfs/dbraw/zinc/15/94/09/759159409.db2.gz WPOBKTGVLAYDGE-HLPPOEQASA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001022838691 759159413 /nfs/dbraw/zinc/15/94/13/759159413.db2.gz WPOBKTGVLAYDGE-HLPPOEQASA-N 1 3 332.452 0.569 20 0 ECADHO C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001012100737 759409838 /nfs/dbraw/zinc/40/98/38/759409838.db2.gz KRMZRZOFNNTMJE-SWLSCSKDSA-N 1 3 333.436 0.400 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001047769010 759504222 /nfs/dbraw/zinc/50/42/22/759504222.db2.gz OWWZCLZHFVRGGG-LZWOXQAQSA-N 1 3 347.463 0.790 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001047769010 759504227 /nfs/dbraw/zinc/50/42/27/759504227.db2.gz OWWZCLZHFVRGGG-LZWOXQAQSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047867543 759628018 /nfs/dbraw/zinc/62/80/18/759628018.db2.gz KFFFLHBAACKWKB-UONOGXRCSA-N 1 3 334.468 0.626 20 0 ECADHO COCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099334 759700694 /nfs/dbraw/zinc/70/06/94/759700694.db2.gz ANPPFNZVEUMINJ-RWBIUQBRSA-N 1 3 349.475 0.419 20 0 ECADHO COCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099334 759700699 /nfs/dbraw/zinc/70/06/99/759700699.db2.gz ANPPFNZVEUMINJ-RWBIUQBRSA-N 1 3 349.475 0.419 20 0 ECADHO C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001077582293 759867196 /nfs/dbraw/zinc/86/71/96/759867196.db2.gz DRGJWFNMFZLKII-IACUBPJLSA-N 1 3 327.400 0.864 20 0 ECADHO C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001077582293 759867202 /nfs/dbraw/zinc/86/72/02/759867202.db2.gz DRGJWFNMFZLKII-IACUBPJLSA-N 1 3 327.400 0.864 20 0 ECADHO C[NH+](C)CCCC(=O)NC[C@H]1CCC(C)(C)CN1CCOCCO ZINC001099198553 767907501 /nfs/dbraw/zinc/90/75/01/767907501.db2.gz BXSROHYKLPWVCI-MRXNPFEDSA-N 1 3 343.512 0.944 20 0 ECADHO Cn1cc(CNC[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)nn1 ZINC001050362007 760182827 /nfs/dbraw/zinc/18/28/27/760182827.db2.gz CXAZVNWBZLCEID-KOMQPUFPSA-N 1 3 348.495 0.922 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2cnn(C)n2)CC1 ZINC001050366154 760187291 /nfs/dbraw/zinc/18/72/91/760187291.db2.gz PJTZYRKXAIGWCY-KCYZZUKISA-N 1 3 348.495 0.777 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2cnn(C)n2)CC1 ZINC001050366154 760187295 /nfs/dbraw/zinc/18/72/95/760187295.db2.gz PJTZYRKXAIGWCY-KCYZZUKISA-N 1 3 348.495 0.777 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cn(C)nn3)CC2)C1 ZINC001050368639 760192342 /nfs/dbraw/zinc/19/23/42/760192342.db2.gz ZOXNMICNWRPQAO-BZUAXINKSA-N 1 3 348.495 0.922 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000945398023 760215885 /nfs/dbraw/zinc/21/58/85/760215885.db2.gz BCERCVKXMDRSBI-HNNXBMFYSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001050461711 760303405 /nfs/dbraw/zinc/30/34/05/760303405.db2.gz IEAYDZHWALKSNG-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCCN(C)C1=O)CC2 ZINC001050462055 760303955 /nfs/dbraw/zinc/30/39/55/760303955.db2.gz OJCJOLDIUNTMAG-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000911518490 760349088 /nfs/dbraw/zinc/34/90/88/760349088.db2.gz XVANJXJZACECSB-USXIJHARSA-N 1 3 342.443 0.424 20 0 ECADHO Cc1nnc(CNC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)[nH]1 ZINC001048371306 760392426 /nfs/dbraw/zinc/39/24/26/760392426.db2.gz XFFZEYSLTZMRKH-SWLSCSKDSA-N 1 3 334.468 0.639 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001048387928 760420277 /nfs/dbraw/zinc/42/02/77/760420277.db2.gz SZFVRELKNLTSRS-HUUCEWRRSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CN1C(=O)CN1CCCC1 ZINC001012618503 760445838 /nfs/dbraw/zinc/44/58/38/760445838.db2.gz GGWDWXDCNIOBOZ-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CCn1cncn1)CC2)C1CC1 ZINC001050543666 760463798 /nfs/dbraw/zinc/46/37/98/760463798.db2.gz JXYSDXYZFCJRNF-MRXNPFEDSA-N 1 3 346.479 0.543 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048531438 760670643 /nfs/dbraw/zinc/67/06/43/760670643.db2.gz OKJWRFYVNURLMH-FZKCQIBNSA-N 1 3 336.480 0.705 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048531438 760670652 /nfs/dbraw/zinc/67/06/52/760670652.db2.gz OKJWRFYVNURLMH-FZKCQIBNSA-N 1 3 336.480 0.705 20 0 ECADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2(C)C)n[nH]1 ZINC000995819240 760686768 /nfs/dbraw/zinc/68/67/68/760686768.db2.gz FCQMOPBVRGPQOL-LSDHHAIUSA-N 1 3 346.479 0.782 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050754177 760782340 /nfs/dbraw/zinc/78/23/40/760782340.db2.gz PYADXHVBNLKTBL-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050754177 760782346 /nfs/dbraw/zinc/78/23/46/760782346.db2.gz PYADXHVBNLKTBL-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO Cc1nn(C)cc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C1 ZINC001048719639 761024278 /nfs/dbraw/zinc/02/42/78/761024278.db2.gz CCVGHGKWSAUODT-IXDOHACOSA-N 1 3 331.464 0.713 20 0 ECADHO Cc1nn(C)cc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C1 ZINC001048719639 761024287 /nfs/dbraw/zinc/02/42/87/761024287.db2.gz CCVGHGKWSAUODT-IXDOHACOSA-N 1 3 331.464 0.713 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001017463892 768011405 /nfs/dbraw/zinc/01/14/05/768011405.db2.gz CCTHNRLAOUZJDB-SJORKVTESA-N 1 3 348.491 0.697 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001017463892 768011411 /nfs/dbraw/zinc/01/14/11/768011411.db2.gz CCTHNRLAOUZJDB-SJORKVTESA-N 1 3 348.491 0.697 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001051700280 762729532 /nfs/dbraw/zinc/72/95/32/762729532.db2.gz WZPNPUYODPGBNY-INIZCTEOSA-N 1 3 347.463 0.366 20 0 ECADHO C[C@@H](F)CCN1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014475487 762732241 /nfs/dbraw/zinc/73/22/41/762732241.db2.gz WYXFDDZWOIMMIE-ZIAGYGMSSA-N 1 3 325.432 0.997 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC001051824886 763053277 /nfs/dbraw/zinc/05/32/77/763053277.db2.gz OSXFTVKGDPJXHM-WBVHZDCISA-N 1 3 332.448 0.883 20 0 ECADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051902021 763276317 /nfs/dbraw/zinc/27/63/17/763276317.db2.gz UACKLKBHRBMHCV-WBVHZDCISA-N 1 3 349.479 0.387 20 0 ECADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051902021 763276322 /nfs/dbraw/zinc/27/63/22/763276322.db2.gz UACKLKBHRBMHCV-WBVHZDCISA-N 1 3 349.479 0.387 20 0 ECADHO Cc1ncsc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931431 763366406 /nfs/dbraw/zinc/36/64/06/763366406.db2.gz AQJXTIYPFGXFMO-UONOGXRCSA-N 1 3 338.477 0.720 20 0 ECADHO Cc1ncsc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051931431 763366412 /nfs/dbraw/zinc/36/64/12/763366412.db2.gz AQJXTIYPFGXFMO-UONOGXRCSA-N 1 3 338.477 0.720 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001051944113 763412074 /nfs/dbraw/zinc/41/20/74/763412074.db2.gz QSQRHZAUHDUVKL-KRWDZBQOSA-N 1 3 349.479 0.613 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CCN(CC4CC4)CC3)C2)CC[N@@H+]1C ZINC001052029801 763626221 /nfs/dbraw/zinc/62/62/21/763626221.db2.gz BLEHZGKAEVNPOY-KBAYOESNSA-N 1 3 334.508 0.955 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CCN(CC4CC4)CC3)C2)CC[N@H+]1C ZINC001052029801 763626229 /nfs/dbraw/zinc/62/62/29/763626229.db2.gz BLEHZGKAEVNPOY-KBAYOESNSA-N 1 3 334.508 0.955 20 0 ECADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127322215 768149002 /nfs/dbraw/zinc/14/90/02/768149002.db2.gz NYLRGIIYRSZXQB-UHFFFAOYSA-N 1 3 341.500 0.664 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000995150614 763757911 /nfs/dbraw/zinc/75/79/11/763757911.db2.gz FBNQXCJJFRZQRF-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000995150614 763757916 /nfs/dbraw/zinc/75/79/16/763757916.db2.gz FBNQXCJJFRZQRF-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)c1nccn1CC(=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052091356 763831425 /nfs/dbraw/zinc/83/14/25/763831425.db2.gz AUPKQPINMLBFGE-INIZCTEOSA-N 1 3 349.479 0.217 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@@H+]1C ZINC000942033824 764005303 /nfs/dbraw/zinc/00/53/03/764005303.db2.gz VHPMZWIPCAXTRW-GJZGRUSLSA-N 1 3 347.463 0.743 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@H+]1C ZINC000942033824 764005313 /nfs/dbraw/zinc/00/53/13/764005313.db2.gz VHPMZWIPCAXTRW-GJZGRUSLSA-N 1 3 347.463 0.743 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC2CCCC2)CC[N@@H+]1C ZINC001127706549 764287973 /nfs/dbraw/zinc/28/79/73/764287973.db2.gz MSBZNDBECNLHIV-CWRNSKLLSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC2CCCC2)CC[N@H+]1C ZINC001127706549 764287976 /nfs/dbraw/zinc/28/79/76/764287976.db2.gz MSBZNDBECNLHIV-CWRNSKLLSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)N(C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001124867006 764458559 /nfs/dbraw/zinc/45/85/59/764458559.db2.gz PPUWICMFQMXSGG-LSDHHAIUSA-N 1 3 326.485 0.820 20 0 ECADHO CC[C@H](CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)OC ZINC001047500361 764522016 /nfs/dbraw/zinc/52/20/16/764522016.db2.gz BDUGXHXYHODBKY-KSWRQPAISA-N 1 3 341.496 0.645 20 0 ECADHO CC[C@H](CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)OC ZINC001047500361 764522023 /nfs/dbraw/zinc/52/20/23/764522023.db2.gz BDUGXHXYHODBKY-KSWRQPAISA-N 1 3 341.496 0.645 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001060407740 764655223 /nfs/dbraw/zinc/65/52/23/764655223.db2.gz XQXNZSSRXZZCEG-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCn3cncn3)CC2)C1 ZINC001052713461 765031433 /nfs/dbraw/zinc/03/14/33/765031433.db2.gz XVKWLWCSTCYYLO-CVEARBPZSA-N 1 3 334.468 0.591 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)CC2)C1 ZINC001052713461 765031438 /nfs/dbraw/zinc/03/14/38/765031438.db2.gz XVKWLWCSTCYYLO-CVEARBPZSA-N 1 3 334.468 0.591 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC001052716785 765037455 /nfs/dbraw/zinc/03/74/55/765037455.db2.gz PMYFXVJUISZEPN-HOTGVXAUSA-N 1 3 334.468 0.733 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052716785 765037462 /nfs/dbraw/zinc/03/74/62/765037462.db2.gz PMYFXVJUISZEPN-HOTGVXAUSA-N 1 3 334.468 0.733 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CCCF ZINC001106455278 768325663 /nfs/dbraw/zinc/32/56/63/768325663.db2.gz JZEDLBHLLRPGAN-MYPHYYIGSA-N 1 3 339.455 0.893 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001053349518 766012576 /nfs/dbraw/zinc/01/25/76/766012576.db2.gz BXOJZPHNUDIHHA-CABCVRRESA-N 1 3 326.485 0.491 20 0 ECADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001053437557 766133480 /nfs/dbraw/zinc/13/34/80/766133480.db2.gz QUMMDMUOIFMARJ-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001053437557 766133481 /nfs/dbraw/zinc/13/34/81/766133481.db2.gz QUMMDMUOIFMARJ-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001053503708 766248903 /nfs/dbraw/zinc/24/89/03/766248903.db2.gz OVJMRHOEEATQDV-KBPBESRZSA-N 1 3 335.452 0.505 20 0 ECADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001053503708 766248907 /nfs/dbraw/zinc/24/89/07/766248907.db2.gz OVJMRHOEEATQDV-KBPBESRZSA-N 1 3 335.452 0.505 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001077516457 766375280 /nfs/dbraw/zinc/37/52/80/766375280.db2.gz NGMGVVBVLSMBMA-SOUVJXGZSA-N 1 3 328.501 0.924 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001016530772 766445982 /nfs/dbraw/zinc/44/59/82/766445982.db2.gz BUBHRERETSTIDE-UHFFFAOYSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCCCC1 ZINC001127253965 766483193 /nfs/dbraw/zinc/48/31/93/766483193.db2.gz BKEXWLKPQKANQI-CVEARBPZSA-N 1 3 336.480 0.579 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCCCC1 ZINC001127253965 766483197 /nfs/dbraw/zinc/48/31/97/766483197.db2.gz BKEXWLKPQKANQI-CVEARBPZSA-N 1 3 336.480 0.579 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000992401717 766487773 /nfs/dbraw/zinc/48/77/73/766487773.db2.gz UHSDKZVTCSWFKM-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000992401717 766487777 /nfs/dbraw/zinc/48/77/77/766487777.db2.gz UHSDKZVTCSWFKM-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707533 766767518 /nfs/dbraw/zinc/76/75/18/766767518.db2.gz WMIKXJXNNQRCFO-LSDHHAIUSA-N 1 3 348.491 0.849 20 0 ECADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C)C(N)=O ZINC001106133106 766802667 /nfs/dbraw/zinc/80/26/67/766802667.db2.gz HIKWWZPAFVCEQQ-RBSFLKMASA-N 1 3 338.496 0.809 20 0 ECADHO COC[C@@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067460 766858377 /nfs/dbraw/zinc/85/83/77/766858377.db2.gz ZZOGMCFUOVOZEE-GDBMZVCRSA-N 1 3 335.452 0.206 20 0 ECADHO COC[C@@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067460 766858386 /nfs/dbraw/zinc/85/83/86/766858386.db2.gz ZZOGMCFUOVOZEE-GDBMZVCRSA-N 1 3 335.452 0.206 20 0 ECADHO CO[C@H](C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082898 766922145 /nfs/dbraw/zinc/92/21/45/766922145.db2.gz XVVBSHXKSSXGBL-IAGOWNOFSA-N 1 3 338.496 0.336 20 0 ECADHO CO[C@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082898 766922146 /nfs/dbraw/zinc/92/21/46/766922146.db2.gz XVVBSHXKSSXGBL-IAGOWNOFSA-N 1 3 338.496 0.336 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106910803 767152157 /nfs/dbraw/zinc/15/21/57/767152157.db2.gz PIYFTSAJWSVBMN-HUUCEWRRSA-N 1 3 339.484 0.038 20 0 ECADHO Cn1nccc1CCN1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046595475 767348532 /nfs/dbraw/zinc/34/85/32/767348532.db2.gz HTPCNHXJDZEEOM-GOSISDBHSA-N 1 3 333.480 0.885 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)C2CCCCC2)CC[N@@H+]1C ZINC001127643549 767389274 /nfs/dbraw/zinc/38/92/74/767389274.db2.gz AGRASZCGBPHIKA-GDBMZVCRSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)C2CCCCC2)CC[N@H+]1C ZINC001127643549 767389285 /nfs/dbraw/zinc/38/92/85/767389285.db2.gz AGRASZCGBPHIKA-GDBMZVCRSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)C[C@H](C)N(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127644270 767396459 /nfs/dbraw/zinc/39/64/59/767396459.db2.gz XOGQUBOUPJOAGW-ARFHVFGLSA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)C[C@H](C)N(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127644270 767396466 /nfs/dbraw/zinc/39/64/66/767396466.db2.gz XOGQUBOUPJOAGW-ARFHVFGLSA-N 1 3 340.512 0.925 20 0 ECADHO CCn1cc(CNC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)nn1 ZINC001106599803 768483548 /nfs/dbraw/zinc/48/35/48/768483548.db2.gz OBZGYNJPFZPPKH-HUUCEWRRSA-N 1 3 336.484 0.824 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106665993 768578343 /nfs/dbraw/zinc/57/83/43/768578343.db2.gz DJYDLKROZGZSGQ-BZUAXINKSA-N 1 3 327.469 0.021 20 0 ECADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704910 768693263 /nfs/dbraw/zinc/69/32/63/768693263.db2.gz IIHUOBCSWVQHFD-ZIAGYGMSSA-N 1 3 335.452 0.503 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106798441 769020545 /nfs/dbraw/zinc/02/05/45/769020545.db2.gz FFVGITKOPNCSBS-IAGOWNOFSA-N 1 3 348.495 0.694 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC001018966745 770422941 /nfs/dbraw/zinc/42/29/41/770422941.db2.gz RHXBFJWMRXZEKO-HOTGVXAUSA-N 1 3 334.468 0.426 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1)C1CC1 ZINC001018966501 770423124 /nfs/dbraw/zinc/42/31/24/770423124.db2.gz KSKSUCIIRQQLLS-DLBZAZTESA-N 1 3 344.459 0.816 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001018971651 770432394 /nfs/dbraw/zinc/43/23/94/770432394.db2.gz MMUFTYYTITWPGX-GOEBONIOSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001019002409 770536000 /nfs/dbraw/zinc/53/60/00/770536000.db2.gz UYVOMSUXACMCQL-VYDXJSESSA-N 1 3 338.496 0.679 20 0 ECADHO CO[C@@H](CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083750414 770581514 /nfs/dbraw/zinc/58/15/14/770581514.db2.gz VXZHIISJMAGPPC-IKGGRYGDSA-N 1 3 339.480 0.305 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC(C)CC2)C1)N(C)C ZINC001019033636 770611489 /nfs/dbraw/zinc/61/14/89/770611489.db2.gz XAHUGPNFPADFLG-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)c(C)n1 ZINC001019322890 771155582 /nfs/dbraw/zinc/15/55/82/771155582.db2.gz MQNNLASIWRJXMV-INIZCTEOSA-N 1 3 347.463 0.826 20 0 ECADHO CC(C)N1CC[C@@H](N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001019326599 771161358 /nfs/dbraw/zinc/16/13/58/771161358.db2.gz VPKFPJXIHWEWDB-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)c(C)n1 ZINC001019380658 771227737 /nfs/dbraw/zinc/22/77/37/771227737.db2.gz IIZAJZULQDNQRG-CJNGLKHVSA-N 1 3 347.463 0.968 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)c(C)n1 ZINC001019380658 771227741 /nfs/dbraw/zinc/22/77/41/771227741.db2.gz IIZAJZULQDNQRG-CJNGLKHVSA-N 1 3 347.463 0.968 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001019381059 771227983 /nfs/dbraw/zinc/22/79/83/771227983.db2.gz WXYQHDOTQQTMPG-HIFRSBDPSA-N 1 3 334.468 0.781 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001019381059 771227985 /nfs/dbraw/zinc/22/79/85/771227985.db2.gz WXYQHDOTQQTMPG-HIFRSBDPSA-N 1 3 334.468 0.781 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NCc1ccco1 ZINC001127466660 771285409 /nfs/dbraw/zinc/28/54/09/771285409.db2.gz YWSNQEHGYOVSRP-CZUORRHYSA-N 1 3 348.447 0.332 20 0 ECADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466636 771285419 /nfs/dbraw/zinc/28/54/19/771285419.db2.gz XBPITONUSHNVPG-BBRMVZONSA-N 1 3 338.496 0.727 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)CC1 ZINC001019469911 771332322 /nfs/dbraw/zinc/33/23/22/771332322.db2.gz UIQSZXAONSZYFA-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056534617 771361920 /nfs/dbraw/zinc/36/19/20/771361920.db2.gz ITFUBTQMDPXFKW-CVEARBPZSA-N 1 3 347.463 0.886 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001056549408 771373995 /nfs/dbraw/zinc/37/39/95/771373995.db2.gz ZTYSOGLZASZPCZ-JKSUJKDBSA-N 1 3 338.496 0.870 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001019655701 771675617 /nfs/dbraw/zinc/67/56/17/771675617.db2.gz WUFNYEXHRCYZRF-KBPBESRZSA-N 1 3 349.431 0.681 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001019655701 771675622 /nfs/dbraw/zinc/67/56/22/771675622.db2.gz WUFNYEXHRCYZRF-KBPBESRZSA-N 1 3 349.431 0.681 20 0 ECADHO Cn1cc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C(F)F)n1 ZINC001019772932 771781325 /nfs/dbraw/zinc/78/13/25/771781325.db2.gz XDMJWQJXQSVBQT-YPMHNXCESA-N 1 3 341.406 1.000 20 0 ECADHO Cn1cc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C(F)F)n1 ZINC001019772932 771781328 /nfs/dbraw/zinc/78/13/28/771781328.db2.gz XDMJWQJXQSVBQT-YPMHNXCESA-N 1 3 341.406 1.000 20 0 ECADHO C[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019774995 771783658 /nfs/dbraw/zinc/78/36/58/771783658.db2.gz RCCBUIKPZJCPNZ-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC001020273589 772386061 /nfs/dbraw/zinc/38/60/61/772386061.db2.gz UPDXMYOMTPFZFI-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC001020273589 772386068 /nfs/dbraw/zinc/38/60/68/772386068.db2.gz UPDXMYOMTPFZFI-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc3cncn3C)C1)CC2 ZINC001020316661 772437798 /nfs/dbraw/zinc/43/77/98/772437798.db2.gz QQXFXYTZZWCNIT-IHRRRGAJSA-N 1 3 342.447 0.994 20 0 ECADHO Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc3cncn3C)C1)C2 ZINC001020316661 772437802 /nfs/dbraw/zinc/43/78/02/772437802.db2.gz QQXFXYTZZWCNIT-IHRRRGAJSA-N 1 3 342.447 0.994 20 0 ECADHO CCn1ncnc1CN[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001020355215 772487335 /nfs/dbraw/zinc/48/73/35/772487335.db2.gz RYHMDKMNZVYRJW-HDJSIYSDSA-N 1 3 339.403 0.996 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020407037 772550905 /nfs/dbraw/zinc/55/09/05/772550905.db2.gz LHEFNCLOWWUPPH-BCCXBEIMSA-N 1 3 349.475 0.656 20 0 ECADHO C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750061 774575665 /nfs/dbraw/zinc/57/56/65/774575665.db2.gz MNBCXBQVUQCSLV-DZGCQCFKSA-N 1 3 343.431 0.820 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)n1 ZINC001044857609 774681186 /nfs/dbraw/zinc/68/11/86/774681186.db2.gz LSHWMNWNUXMZNZ-PBHICJAKSA-N 1 3 348.495 0.960 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)CN1CCCC1 ZINC001044858787 774682038 /nfs/dbraw/zinc/68/20/38/774682038.db2.gz WFMQJMBGFWJREZ-CABCVRRESA-N 1 3 337.468 0.077 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)CN1CCCC1 ZINC001044859072 774682812 /nfs/dbraw/zinc/68/28/12/774682812.db2.gz ZOWPKHVODJOQQM-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2CNCc2cnnn2C)CC[N@@H+]1C ZINC001045170959 775085022 /nfs/dbraw/zinc/08/50/22/775085022.db2.gz LCOHXEIUZNDLJN-KKUMJFAQSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2CNCc2cnnn2C)CC[N@H+]1C ZINC001045170959 775085025 /nfs/dbraw/zinc/08/50/25/775085025.db2.gz LCOHXEIUZNDLJN-KKUMJFAQSA-N 1 3 334.468 0.626 20 0 ECADHO CC(C)N1CC[C@@H](NC[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001045276632 775299588 /nfs/dbraw/zinc/29/95/88/775299588.db2.gz LXLVYZFSRGTTRF-JKSUJKDBSA-N 1 3 348.491 0.672 20 0 ECADHO Cn1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1=O ZINC001045310909 775382404 /nfs/dbraw/zinc/38/24/04/775382404.db2.gz WFUHOEQVJGRCQO-INIZCTEOSA-N 1 3 332.448 0.562 20 0 ECADHO CN1CC[C@H](NC[C@@H]2CCCN2C(=O)CC[NH+]2CCCCC2)C1=O ZINC001045322783 775411859 /nfs/dbraw/zinc/41/18/59/775411859.db2.gz NLYIMYHTMXDDKM-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCC[C@H](N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001045639791 775947254 /nfs/dbraw/zinc/94/72/54/775947254.db2.gz RUONAYFVZDCIPL-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H](N2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001045639791 775947265 /nfs/dbraw/zinc/94/72/65/775947265.db2.gz RUONAYFVZDCIPL-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CO[C@H](C)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717499 776754483 /nfs/dbraw/zinc/75/44/83/776754483.db2.gz LEYDEZDQUMBJMR-IIAWOOMASA-N 1 3 337.468 0.530 20 0 ECADHO CCN(C(=O)C1(N(C)C)CCC1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079942287 777118139 /nfs/dbraw/zinc/11/81/39/777118139.db2.gz BLBHGOCYUNPFMJ-UHFFFAOYSA-N 1 3 348.491 0.626 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001080192284 777531231 /nfs/dbraw/zinc/53/12/31/777531231.db2.gz MBIIFQJXPOHCIX-ZBFHGGJFSA-N 1 3 338.496 0.585 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001080192284 777531236 /nfs/dbraw/zinc/53/12/36/777531236.db2.gz MBIIFQJXPOHCIX-ZBFHGGJFSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001080384457 777777262 /nfs/dbraw/zinc/77/72/62/777777262.db2.gz YXBOYBHZMRHDAN-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078794638 780500109 /nfs/dbraw/zinc/50/01/09/780500109.db2.gz JQKFFYWVCWMAHQ-LSDHHAIUSA-N 1 3 343.435 0.569 20 0 ECADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC001077618931 781362558 /nfs/dbraw/zinc/36/25/58/781362558.db2.gz VXZHIISJMAGPPC-ZACQAIPSSA-N 1 3 339.480 0.305 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCO ZINC001040006419 783404029 /nfs/dbraw/zinc/40/40/29/783404029.db2.gz AZRRVFPUXCXIGG-YESZJQIVSA-N 1 3 339.480 0.402 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCO ZINC001040006419 783404033 /nfs/dbraw/zinc/40/40/33/783404033.db2.gz AZRRVFPUXCXIGG-YESZJQIVSA-N 1 3 339.480 0.402 20 0 ECADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001037933472 783710684 /nfs/dbraw/zinc/71/06/84/783710684.db2.gz LUABQVTYPIJTQU-ZFWWWQNUSA-N 1 3 333.436 0.401 20 0 ECADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001070289769 783796072 /nfs/dbraw/zinc/79/60/72/783796072.db2.gz UUQKEZQTCLKQSG-PMPSAXMXSA-N 1 3 334.468 0.902 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070933006 784147877 /nfs/dbraw/zinc/14/78/77/784147877.db2.gz PUVLHQNFLVOMNS-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)COCC[NH+](C)C)C1)N(C)C ZINC001071019917 784436973 /nfs/dbraw/zinc/43/69/73/784436973.db2.gz IHZJYXCCTIHVAR-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)N(C)C ZINC001071063177 784503777 /nfs/dbraw/zinc/50/37/77/784503777.db2.gz IMNRGKHZWXXINX-IKGGRYGDSA-N 1 3 341.496 0.551 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001071074247 784520002 /nfs/dbraw/zinc/52/00/02/784520002.db2.gz YDLXQRYDYCZHSC-BZUAXINKSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)N(C)C ZINC001071086057 784528558 /nfs/dbraw/zinc/52/85/58/784528558.db2.gz MRIUULUDTPZEPO-PMPSAXMXSA-N 1 3 327.469 0.305 20 0 ECADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001071416527 785065978 /nfs/dbraw/zinc/06/59/78/785065978.db2.gz VILBCKUHOHZIEO-CQSZACIVSA-N 1 3 335.452 0.791 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001072316857 786030135 /nfs/dbraw/zinc/03/01/35/786030135.db2.gz HIKRKWWGBYPUBB-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CN(CCO)CCCO2)cc1 ZINC001073821387 787267339 /nfs/dbraw/zinc/26/73/39/787267339.db2.gz IUSQUZMYKRLPHN-KRWDZBQOSA-N 1 3 335.448 0.561 20 0 ECADHO C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001073899521 787475373 /nfs/dbraw/zinc/47/53/73/787475373.db2.gz VYWDSTNMTDQSCN-YJBOKZPZSA-N 1 3 349.475 0.950 20 0 ECADHO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001073899521 787475378 /nfs/dbraw/zinc/47/53/78/787475378.db2.gz VYWDSTNMTDQSCN-YJBOKZPZSA-N 1 3 349.475 0.950 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001074653687 787515088 /nfs/dbraw/zinc/51/50/88/787515088.db2.gz AIJXHAXUSJKBJM-UAGQMJEPSA-N 1 3 348.491 0.530 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001073978071 787626039 /nfs/dbraw/zinc/62/60/39/787626039.db2.gz YETFADSPDSMTEG-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001074091222 787859175 /nfs/dbraw/zinc/85/91/75/787859175.db2.gz USHNNWDZGVSVHT-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCn1nncc1CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001074878151 788477092 /nfs/dbraw/zinc/47/70/92/788477092.db2.gz CPTGNJHTCNFBET-DZKIICNBSA-N 1 3 334.468 0.719 20 0 ECADHO CCn1nncc1CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001074878151 788477097 /nfs/dbraw/zinc/47/70/97/788477097.db2.gz CPTGNJHTCNFBET-DZKIICNBSA-N 1 3 334.468 0.719 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)[C@@H]1C ZINC001074877841 788477368 /nfs/dbraw/zinc/47/73/68/788477368.db2.gz OUTWQWBNFWZYJK-JYJNAYRXSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2)C1CC1 ZINC001072814868 788871376 /nfs/dbraw/zinc/87/13/76/788871376.db2.gz NJGOTQQPAVEPOM-HNNXBMFYSA-N 1 3 332.452 0.153 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2)C1CC1 ZINC001072814868 788871385 /nfs/dbraw/zinc/87/13/85/788871385.db2.gz NJGOTQQPAVEPOM-HNNXBMFYSA-N 1 3 332.452 0.153 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCc1cnn(C)c1)C2)N(C)C ZINC001072850875 788960248 /nfs/dbraw/zinc/96/02/48/788960248.db2.gz BNSJCIYWYCVBCW-MRXNPFEDSA-N 1 3 333.480 0.837 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCc1cnn(C)c1)C2)N(C)C ZINC001072850875 788960256 /nfs/dbraw/zinc/96/02/56/788960256.db2.gz BNSJCIYWYCVBCW-MRXNPFEDSA-N 1 3 333.480 0.837 20 0 ECADHO CCN(CC)CC(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001073038676 789321208 /nfs/dbraw/zinc/32/12/08/789321208.db2.gz NXASFOYLNXGEGQ-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073038676 789321219 /nfs/dbraw/zinc/32/12/19/789321219.db2.gz NXASFOYLNXGEGQ-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(CN1CCCC1)N1CCC([C@H]2OCCC[C@H]2[NH2+]CCO)CC1 ZINC001075417499 789346022 /nfs/dbraw/zinc/34/60/22/789346022.db2.gz JNYRVEPZWFFARY-SJLPKXTDSA-N 1 3 339.480 0.450 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)C[C@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073128110 789488174 /nfs/dbraw/zinc/48/81/74/789488174.db2.gz RTVHIFMUBULIBN-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073128110 789488180 /nfs/dbraw/zinc/48/81/80/789488180.db2.gz RTVHIFMUBULIBN-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCO[C@H]2CC2(F)F)C3)C1 ZINC001073425689 789822609 /nfs/dbraw/zinc/82/26/09/789822609.db2.gz DXZCOMSPJMUYEY-KBPBESRZSA-N 1 3 343.418 0.897 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCO[C@H]2CC2(F)F)C3)C1 ZINC001073425689 789822612 /nfs/dbraw/zinc/82/26/12/789822612.db2.gz DXZCOMSPJMUYEY-KBPBESRZSA-N 1 3 343.418 0.897 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425871 789823196 /nfs/dbraw/zinc/82/31/96/789823196.db2.gz KKXNTDXJDOYPHC-CABCVRRESA-N 1 3 334.464 0.093 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073425871 789823200 /nfs/dbraw/zinc/82/32/00/789823200.db2.gz KKXNTDXJDOYPHC-CABCVRRESA-N 1 3 334.464 0.093 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001067834742 792345347 /nfs/dbraw/zinc/34/53/47/792345347.db2.gz USGCFBNKGMUVEB-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CCCNC(=O)CNCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267456280 837441650 /nfs/dbraw/zinc/44/16/50/837441650.db2.gz RTULUHFJEQCCOU-HUUCEWRRSA-N 1 3 326.485 0.681 20 0 ECADHO CN(CCNCC(=O)N(C)C1CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267469628 837483760 /nfs/dbraw/zinc/48/37/60/837483760.db2.gz NNWZQYMYRWNZRL-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCNCC(=O)N(C)C1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267469628 837483764 /nfs/dbraw/zinc/48/37/64/837483764.db2.gz NNWZQYMYRWNZRL-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCOCCO ZINC001266883580 836431541 /nfs/dbraw/zinc/43/15/41/836431541.db2.gz CJNXEDIXLAOYGO-IRXDYDNUSA-N 1 3 341.496 0.840 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001267014774 836622259 /nfs/dbraw/zinc/62/22/59/836622259.db2.gz BXAYPMPAAIODQE-UONOGXRCSA-N 1 3 339.484 0.369 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001408579499 836934129 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C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CCNCc3ncnn3C)CC2)C1 ZINC001267915131 838785498 /nfs/dbraw/zinc/78/54/98/838785498.db2.gz ZLWQMFQXALGNLZ-OAHLLOKOSA-N 1 3 348.495 0.875 20 0 ECADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@H](C(C)C)N(C)C ZINC001408869563 838863615 /nfs/dbraw/zinc/86/36/15/838863615.db2.gz YKMDKJVXPMXRAW-CVEARBPZSA-N 1 3 340.512 0.879 20 0 ECADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H](C(C)C)N(C)C ZINC001408869563 838863628 /nfs/dbraw/zinc/86/36/28/838863628.db2.gz YKMDKJVXPMXRAW-CVEARBPZSA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCC1 ZINC000354667507 299090397 /nfs/dbraw/zinc/09/03/97/299090397.db2.gz PTQFLVHBQKQCGR-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)[C@H](C)C1 ZINC000354683330 299095900 /nfs/dbraw/zinc/09/59/00/299095900.db2.gz MFLSHOZHXYEFQI-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)[C@H](C)C1 ZINC000354683330 299095903 /nfs/dbraw/zinc/09/59/03/299095903.db2.gz MFLSHOZHXYEFQI-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000354713955 299104842 /nfs/dbraw/zinc/10/48/42/299104842.db2.gz NVIDKDRMIDNNLU-SJORKVTESA-N 1 3 344.459 0.635 20 0 ECADHO C[C@H](NC(=O)NC[C@@H](O)CN1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418307656 299157938 /nfs/dbraw/zinc/15/79/38/299157938.db2.gz DSUWCNHXTACDDL-ARFHVFGLSA-N 1 3 326.485 0.767 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000354950716 299169798 /nfs/dbraw/zinc/16/97/98/299169798.db2.gz WMSZBNNGKVTNDT-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000354950716 299169800 /nfs/dbraw/zinc/16/98/00/299169800.db2.gz WMSZBNNGKVTNDT-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)C1(CCO)CCOCC1 ZINC000355009107 299183245 /nfs/dbraw/zinc/18/32/45/299183245.db2.gz GPZFXSZXSAMPNJ-UHFFFAOYSA-N 1 3 339.480 0.593 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCSC1 ZINC000419576132 209130379 /nfs/dbraw/zinc/13/03/79/209130379.db2.gz BRYPFWGXBHSZNZ-CJNGLKHVSA-N 1 3 342.509 0.174 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000419576586 209130733 /nfs/dbraw/zinc/13/07/33/209130733.db2.gz CHYITYOGMLOUJI-ZENOOKHLSA-N 1 3 342.509 0.126 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420116355 209310573 /nfs/dbraw/zinc/31/05/73/209310573.db2.gz GYRQJCZDMWSBGP-XJKSGUPXSA-N 1 3 332.448 0.923 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000420082773 209302061 /nfs/dbraw/zinc/30/20/61/209302061.db2.gz RFVVBYMPIIXYJJ-CYBMUJFWSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000419987552 209269904 /nfs/dbraw/zinc/26/99/04/209269904.db2.gz XFCFZIHBOKRZRC-AWEZNQCLSA-N 1 3 340.493 0.738 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)o1 ZINC000419970757 209263669 /nfs/dbraw/zinc/26/36/69/209263669.db2.gz CHYDXFMVFUPPRG-OAHLLOKOSA-N 1 3 338.452 0.578 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419902577 209244087 /nfs/dbraw/zinc/24/40/87/209244087.db2.gz WANMIUYASZPSOD-DOTOQJQBSA-N 1 3 346.475 0.834 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419853314 209226641 /nfs/dbraw/zinc/22/66/41/209226641.db2.gz AMBWJSIFRYWLTD-INIZCTEOSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCC[NH3+])CCN1Cc1ccccc1 ZINC000419832040 209215770 /nfs/dbraw/zinc/21/57/70/209215770.db2.gz ITPOQKQSNRACCI-NVXWUHKLSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H](CN)C1CCCCC1)C[NH+]1CCCC1 ZINC000419818607 209213695 /nfs/dbraw/zinc/21/36/95/209213695.db2.gz JIDURRNZGMCCHU-GOEBONIOSA-N 1 3 338.496 0.858 20 0 ECADHO NCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419814157 209212336 /nfs/dbraw/zinc/21/23/36/209212336.db2.gz HXIKCAFFKCYLHQ-IAGOWNOFSA-N 1 3 344.459 0.574 20 0 ECADHO NCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419814157 209212341 /nfs/dbraw/zinc/21/23/41/209212341.db2.gz HXIKCAFFKCYLHQ-IAGOWNOFSA-N 1 3 344.459 0.574 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000419798173 209206982 /nfs/dbraw/zinc/20/69/82/209206982.db2.gz WVZKNUKFALWITJ-UHFFFAOYSA-N 1 3 332.448 0.940 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000419785740 209205255 /nfs/dbraw/zinc/20/52/55/209205255.db2.gz ZJFKNCNIWZKQFU-KKUMJFAQSA-N 1 3 338.496 0.809 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419692619 284053550 /nfs/dbraw/zinc/05/35/50/284053550.db2.gz GZNPOKHQLHQKIS-KLHDSHLOSA-N 1 3 348.491 0.624 20 0 ECADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419698430 209175534 /nfs/dbraw/zinc/17/55/34/209175534.db2.gz SLJYMSLIYZIVLZ-GJZGRUSLSA-N 1 3 336.480 0.625 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419691667 209172177 /nfs/dbraw/zinc/17/21/77/209172177.db2.gz FKXDWQROKQGRDN-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1CN ZINC000419649576 209157454 /nfs/dbraw/zinc/15/74/54/209157454.db2.gz UBWYUVJYODFECM-BBRMVZONSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419648835 209157072 /nfs/dbraw/zinc/15/70/72/209157072.db2.gz BHGHIHJWWQHABE-LZWOXQAQSA-N 1 3 332.448 0.619 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000419642339 209154670 /nfs/dbraw/zinc/15/46/70/209154670.db2.gz FUZJENQHSYTSHC-ZIAGYGMSSA-N 1 3 334.464 0.943 20 0 ECADHO CC[N@H+](C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413182445 284333481 /nfs/dbraw/zinc/33/34/81/284333481.db2.gz GRNWWFZIYBNNPK-UHFFFAOYSA-N 1 3 341.500 0.034 20 0 ECADHO CC[N@@H+](C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413182445 284333483 /nfs/dbraw/zinc/33/34/83/284333483.db2.gz GRNWWFZIYBNNPK-UHFFFAOYSA-N 1 3 341.500 0.034 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000419591503 209135112 /nfs/dbraw/zinc/13/51/12/209135112.db2.gz RFWLAQOKCNVTLI-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000411025040 284349853 /nfs/dbraw/zinc/34/98/53/284349853.db2.gz MBCBSWGARYRLRK-HZPDHXFCSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000411025040 284349854 /nfs/dbraw/zinc/34/98/54/284349854.db2.gz MBCBSWGARYRLRK-HZPDHXFCSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419525266 209115752 /nfs/dbraw/zinc/11/57/52/209115752.db2.gz RJEQXQQRZBFHHZ-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[NH+]2CCC(O)CC2)C1(C)C ZINC000444185017 211056004 /nfs/dbraw/zinc/05/60/04/211056004.db2.gz PVRGNLJUIPLBHI-PBHICJAKSA-N 1 3 327.469 0.482 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419481345 209106320 /nfs/dbraw/zinc/10/63/20/209106320.db2.gz WZKZDXIHZKELOK-UXLLHSPISA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419481345 209106323 /nfs/dbraw/zinc/10/63/23/209106323.db2.gz WZKZDXIHZKELOK-UXLLHSPISA-N 1 3 346.475 0.867 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458368556 285024467 /nfs/dbraw/zinc/02/44/67/285024467.db2.gz ODWOJSVMCQLSTI-HZPDHXFCSA-N 1 3 342.484 0.243 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458368556 285024468 /nfs/dbraw/zinc/02/44/68/285024468.db2.gz ODWOJSVMCQLSTI-HZPDHXFCSA-N 1 3 342.484 0.243 20 0 ECADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H](CO)[C@H]1CCCOC1)c1ccccc1 ZINC000411985800 208184700 /nfs/dbraw/zinc/18/47/00/208184700.db2.gz JHRPPLDZEBZYLK-RCCFBDPRSA-N 1 3 349.475 0.783 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccn1 ZINC000417952513 208764521 /nfs/dbraw/zinc/76/45/21/208764521.db2.gz OJUGXGUNOFFTDR-UKRRQHHQSA-N 1 3 335.452 0.949 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000418879827 208893726 /nfs/dbraw/zinc/89/37/26/208893726.db2.gz UIOWCQBVGLYIFQ-CVEARBPZSA-N 1 3 332.448 0.096 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])c1ccccc1 ZINC000418859803 208881400 /nfs/dbraw/zinc/88/14/00/208881400.db2.gz KZTFEOZKBKLQHM-GDBMZVCRSA-N 1 3 334.464 0.897 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418997103 208935728 /nfs/dbraw/zinc/93/57/28/208935728.db2.gz KTMFWCBGPPRJRF-UHFFFAOYSA-N 1 3 346.475 0.966 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419157247 209005859 /nfs/dbraw/zinc/00/58/59/209005859.db2.gz WEUNUJWYIPYRPV-OAHLLOKOSA-N 1 3 348.447 0.111 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC(=O)NC ZINC000436360589 285243009 /nfs/dbraw/zinc/24/30/09/285243009.db2.gz IRQNUQVLARTWAM-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC(=O)NC ZINC000436360589 285243010 /nfs/dbraw/zinc/24/30/10/285243010.db2.gz IRQNUQVLARTWAM-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(F)(F)CN ZINC000418513011 285244368 /nfs/dbraw/zinc/24/43/68/285244368.db2.gz MBICHYHWGZCNHY-CYBMUJFWSA-N 1 3 335.443 0.638 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(F)(F)CN ZINC000418513011 285244369 /nfs/dbraw/zinc/24/43/69/285244369.db2.gz MBICHYHWGZCNHY-CYBMUJFWSA-N 1 3 335.443 0.638 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN(C)C1=O ZINC000448854952 285246556 /nfs/dbraw/zinc/24/65/56/285246556.db2.gz WTBDEMPRAPNSOV-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN(C)C1=O ZINC000448854952 285246558 /nfs/dbraw/zinc/24/65/58/285246558.db2.gz WTBDEMPRAPNSOV-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420014578 285251954 /nfs/dbraw/zinc/25/19/54/285251954.db2.gz OJXQTQMLFTXXRR-GDBMZVCRSA-N 1 3 347.463 0.358 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420177578 285269539 /nfs/dbraw/zinc/26/95/39/285269539.db2.gz SJEBQVAZJXKOFR-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419163234 209008184 /nfs/dbraw/zinc/00/81/84/209008184.db2.gz VZLXTVOFOZVERZ-MRXNPFEDSA-N 1 3 332.448 0.651 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419173827 209011515 /nfs/dbraw/zinc/01/15/15/209011515.db2.gz UOZZGECYVIFBEP-HZPDHXFCSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419174814 209011617 /nfs/dbraw/zinc/01/16/17/209011617.db2.gz WQSIUXZGIWKCPQ-DLBZAZTESA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419172802 209012014 /nfs/dbraw/zinc/01/20/14/209012014.db2.gz RNMPGUVKOGUPFI-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419175450 209013776 /nfs/dbraw/zinc/01/37/76/209013776.db2.gz XPQBNPHGBPBUCI-CABCVRRESA-N 1 3 326.485 0.729 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000419192605 209018735 /nfs/dbraw/zinc/01/87/35/209018735.db2.gz PLVOYMJSXMFFPH-CQSZACIVSA-N 1 3 332.448 0.539 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000419193856 209020110 /nfs/dbraw/zinc/02/01/10/209020110.db2.gz RNBPXCCDFRBPHK-UHFFFAOYSA-N 1 3 346.475 0.801 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419225265 209031883 /nfs/dbraw/zinc/03/18/83/209031883.db2.gz GXWHGGFYEISIDE-NUEKZKHPSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419232053 209035576 /nfs/dbraw/zinc/03/55/76/209035576.db2.gz UDQKBRRZQWARCN-CVEARBPZSA-N 1 3 338.496 0.857 20 0 ECADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N(C)[C@@H](C)CN)c1 ZINC000419275625 209048281 /nfs/dbraw/zinc/04/82/81/209048281.db2.gz ZATCWLSHFJYXNB-AWEZNQCLSA-N 1 3 334.464 0.950 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424464983 285318699 /nfs/dbraw/zinc/31/86/99/285318699.db2.gz RFOUUKRFQWOZPU-ARFHVFGLSA-N 1 3 325.501 0.829 20 0 ECADHO CN(C)C/C=C/C(=O)N1CCC[C@H]2CN(C(=O)/C=C\C[NH+](C)C)C[C@H]21 ZINC000492057220 289037146 /nfs/dbraw/zinc/03/71/46/289037146.db2.gz KQIBYGVKDFJKEL-FBIXRGPLSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C)C/C=C\C(=O)N1C[C@@H]2CCCN(C(=O)/C=C/C[NH+](C)C)[C@@H]2C1 ZINC000492057220 289037148 /nfs/dbraw/zinc/03/71/48/289037148.db2.gz KQIBYGVKDFJKEL-FBIXRGPLSA-N 1 3 348.491 0.671 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420118746 296582914 /nfs/dbraw/zinc/58/29/14/296582914.db2.gz MTBLYOQGTUEMOJ-BZUAXINKSA-N 1 3 336.480 0.578 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H](C)C1 ZINC000249414065 286063212 /nfs/dbraw/zinc/06/32/12/286063212.db2.gz FZHRBIADOAZASG-IHRRRGAJSA-N 1 3 328.457 0.557 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1=O ZINC000358897967 299770914 /nfs/dbraw/zinc/77/09/14/299770914.db2.gz FHWUARGDYBTWFJ-HNNXBMFYSA-N 1 3 336.480 0.389 20 0 ECADHO CCN1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)[C@@H](C)C1 ZINC000247053083 165151657 /nfs/dbraw/zinc/15/16/57/165151657.db2.gz NJAXCSVTOCWUOY-BBRMVZONSA-N 1 3 332.448 0.722 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1C[C@@H](C)C[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000249404847 165197931 /nfs/dbraw/zinc/19/79/31/165197931.db2.gz CXBFYEBCHFDKTF-PHZGNYQRSA-N 1 3 340.512 0.785 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1C[C@@H](C)C[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000249404847 165197933 /nfs/dbraw/zinc/19/79/33/165197933.db2.gz CXBFYEBCHFDKTF-PHZGNYQRSA-N 1 3 340.512 0.785 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)NCC[N@H+](C)CC ZINC000249404847 165197935 /nfs/dbraw/zinc/19/79/35/165197935.db2.gz CXBFYEBCHFDKTF-PHZGNYQRSA-N 1 3 340.512 0.785 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000249404847 165197938 /nfs/dbraw/zinc/19/79/38/165197938.db2.gz CXBFYEBCHFDKTF-PHZGNYQRSA-N 1 3 340.512 0.785 20 0 ECADHO COc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc2c1OCO2 ZINC000261667511 165225758 /nfs/dbraw/zinc/22/57/58/165225758.db2.gz LILSPMFDPBMKOP-ZDUSSCGKSA-N 1 3 335.404 0.711 20 0 ECADHO CCN1CCN(CCC(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000261788061 165243587 /nfs/dbraw/zinc/24/35/87/165243587.db2.gz UAEWVNLJHJNFPU-UHFFFAOYSA-N 1 3 326.485 0.146 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262018671 165276541 /nfs/dbraw/zinc/27/65/41/165276541.db2.gz OPYNPMYKTMQGIB-UPJWGTAASA-N 1 3 336.402 0.812 20 0 ECADHO COC(=O)CCn1nc(C)c(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000262138826 165297877 /nfs/dbraw/zinc/29/78/77/165297877.db2.gz PIOYHRATBOHVFL-INIZCTEOSA-N 1 3 349.479 0.543 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000262311732 165327841 /nfs/dbraw/zinc/32/78/41/165327841.db2.gz BMTRKUYUAFCNBR-XRGAULLZSA-N 1 3 325.453 0.057 20 0 ECADHO C[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)CN1CCN(C)CC1 ZINC000262763121 165383287 /nfs/dbraw/zinc/38/32/87/165383287.db2.gz LOHBTKILSFKNPO-CVEARBPZSA-N 1 3 348.495 0.421 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401175 209082216 /nfs/dbraw/zinc/08/22/16/209082216.db2.gz OKSPRBLMXIRDKB-SQWLQELKSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401175 209082217 /nfs/dbraw/zinc/08/22/17/209082217.db2.gz OKSPRBLMXIRDKB-SQWLQELKSA-N 1 3 332.448 0.477 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NCCN(C)C)c(OCC[NH+](C)C)c1 ZINC000164454529 226073427 /nfs/dbraw/zinc/07/34/27/226073427.db2.gz PHCJIEIKSABUSI-UHFFFAOYSA-N 1 3 336.436 0.552 20 0 ECADHO CC1(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC[NH2+]CC1 ZINC000331493877 296936691 /nfs/dbraw/zinc/93/66/91/296936691.db2.gz AUYVIRNWEFAJIZ-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000331690597 296957640 /nfs/dbraw/zinc/95/76/40/296957640.db2.gz SZACCPVGCFYBBN-HRCADAONSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000174734626 263150758 /nfs/dbraw/zinc/15/07/58/263150758.db2.gz KRUCLTNUPZHTQY-CABCVRRESA-N 1 3 325.501 0.652 20 0 ECADHO C[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000174734626 263150760 /nfs/dbraw/zinc/15/07/60/263150760.db2.gz KRUCLTNUPZHTQY-CABCVRRESA-N 1 3 325.501 0.652 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000189830779 263163388 /nfs/dbraw/zinc/16/33/88/263163388.db2.gz UAFMNMSRXQQALM-UHFFFAOYSA-N 1 3 338.456 0.183 20 0 ECADHO CC(C)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N1CCc2ccccc2C1 ZINC000236688654 263172118 /nfs/dbraw/zinc/17/21/18/263172118.db2.gz NKLKNQMVDXKGQE-KZNAEPCWSA-N 1 3 331.460 0.908 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283877332 264162580 /nfs/dbraw/zinc/16/25/80/264162580.db2.gz CATOGJCABDSNJO-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO CN(CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000284225533 264188103 /nfs/dbraw/zinc/18/81/03/264188103.db2.gz UHRHJGHCMMVMBT-UHFFFAOYSA-N 1 3 332.448 0.575 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419578032 276365391 /nfs/dbraw/zinc/36/53/91/276365391.db2.gz DQHGZCHALCSHIH-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000418831838 277020019 /nfs/dbraw/zinc/02/00/19/277020019.db2.gz GRCWOZCSMZNJDB-QGZVFWFLSA-N 1 3 346.475 0.486 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418950304 277031981 /nfs/dbraw/zinc/03/19/81/277031981.db2.gz QKSGOONYMRHLCU-DOTOQJQBSA-N 1 3 346.475 0.834 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262357911 277222608 /nfs/dbraw/zinc/22/26/08/277222608.db2.gz UYQGBWCYYRXRDC-HNNXBMFYSA-N 1 3 335.452 0.189 20 0 ECADHO CNC(=O)[C@H]1CCCN(CC(C)C[N@@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000124804328 277250884 /nfs/dbraw/zinc/25/08/84/277250884.db2.gz JSXNJQLVIKVFHT-HOTGVXAUSA-N 1 3 338.496 0.539 20 0 ECADHO CNC(=O)[C@H]1CCCN(CC(C)C[N@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000124804328 277250885 /nfs/dbraw/zinc/25/08/85/277250885.db2.gz JSXNJQLVIKVFHT-HOTGVXAUSA-N 1 3 338.496 0.539 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000343520428 437597783 /nfs/dbraw/zinc/59/77/83/437597783.db2.gz PVIZLTLCESYXPE-BBWFWOEESA-N 1 3 339.528 0.994 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000360422037 437600709 /nfs/dbraw/zinc/60/07/09/437600709.db2.gz BPXJBOKJSZLBGV-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC000336952789 279302349 /nfs/dbraw/zinc/30/23/49/279302349.db2.gz RXURYKPFQXZDQC-KFWWJZLASA-N 1 3 325.453 0.670 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC000336952789 279302351 /nfs/dbraw/zinc/30/23/51/279302351.db2.gz RXURYKPFQXZDQC-KFWWJZLASA-N 1 3 325.453 0.670 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000423372943 280275878 /nfs/dbraw/zinc/27/58/78/280275878.db2.gz BQQBNCZBFZYQKK-OAHLLOKOSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343579066 437606721 /nfs/dbraw/zinc/60/67/21/437606721.db2.gz GWJRTSYYIVCSCD-OKYOBFRVSA-N 1 3 336.524 0.807 20 0 ECADHO C[C@H]1C[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000343579066 437606725 /nfs/dbraw/zinc/60/67/25/437606725.db2.gz GWJRTSYYIVCSCD-OKYOBFRVSA-N 1 3 336.524 0.807 20 0 ECADHO C[C@H]1C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000343579066 437606729 /nfs/dbraw/zinc/60/67/29/437606729.db2.gz GWJRTSYYIVCSCD-OKYOBFRVSA-N 1 3 336.524 0.807 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccncc1OCCN(C)C ZINC000418192245 290602733 /nfs/dbraw/zinc/60/27/33/290602733.db2.gz MEEXVMXVGDBLJP-DZGCQCFKSA-N 1 3 335.452 0.819 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345278 293025947 /nfs/dbraw/zinc/02/59/47/293025947.db2.gz VQDUCIIJQFLZDQ-BFHYXJOUSA-N 1 3 326.441 0.169 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000332405083 297037898 /nfs/dbraw/zinc/03/78/98/297037898.db2.gz OPPQVYWHQOXRDY-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000332535162 297050122 /nfs/dbraw/zinc/05/01/22/297050122.db2.gz ABPCBUZBVXONFZ-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC1 ZINC000332602452 297056782 /nfs/dbraw/zinc/05/67/82/297056782.db2.gz JJSHXIFUXOZPAI-HOCLYGCPSA-N 1 3 336.480 0.671 20 0 ECADHO COc1ccccc1[C@H]1C[NH2+]CCN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414730401 295412965 /nfs/dbraw/zinc/41/29/65/295412965.db2.gz GJNBGBNCLQAJAP-DOTOQJQBSA-N 1 3 346.475 0.839 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC000332938190 297090705 /nfs/dbraw/zinc/09/07/05/297090705.db2.gz YBZCCSBRWADBPV-OAGGEKHMSA-N 1 3 325.501 0.652 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC000332938190 297090706 /nfs/dbraw/zinc/09/07/06/297090706.db2.gz YBZCCSBRWADBPV-OAGGEKHMSA-N 1 3 325.501 0.652 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)[C@@H]2C1 ZINC000333401448 297130831 /nfs/dbraw/zinc/13/08/31/297130831.db2.gz YTKAAIHTKZMTBU-UKRRQHHQSA-N 1 3 345.451 0.444 20 0 ECADHO C[C@H]1CC2(CN1CC(=O)N1CCN(C(=O)C3CC3)CC1)CC[NH2+]CC2 ZINC000333601132 297144374 /nfs/dbraw/zinc/14/43/74/297144374.db2.gz QLHXHAWJGZKNEP-HNNXBMFYSA-N 1 3 348.491 0.531 20 0 ECADHO CN(CCOCCO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000337687474 297204040 /nfs/dbraw/zinc/20/40/40/297204040.db2.gz RFAVVWIKTSFMFV-UHFFFAOYSA-N 1 3 342.484 0.195 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000339579697 297361370 /nfs/dbraw/zinc/36/13/70/297361370.db2.gz FBPXNKMHNCUPTK-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CCN(CCNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)C1CC1 ZINC000339750872 297378628 /nfs/dbraw/zinc/37/86/28/297378628.db2.gz IABDGEDEUZUERB-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000339752754 297378983 /nfs/dbraw/zinc/37/89/83/297378983.db2.gz GNHJSXZPPLVCGN-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419024337 297396441 /nfs/dbraw/zinc/39/64/41/297396441.db2.gz KOATZWQMCHXRNY-RBSFLKMASA-N 1 3 338.496 0.809 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339950347 297411204 /nfs/dbraw/zinc/41/12/04/297411204.db2.gz GOBWFEHEIDKKDZ-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000343440754 297878374 /nfs/dbraw/zinc/87/83/74/297878374.db2.gz QSHCGMUPTSEYNC-SOUVJXGZSA-N 1 3 337.395 0.668 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC000345192434 298128440 /nfs/dbraw/zinc/12/84/40/298128440.db2.gz CXSCOOUANSBHQN-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC000345192434 298128443 /nfs/dbraw/zinc/12/84/43/298128443.db2.gz CXSCOOUANSBHQN-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCN(CC(=O)NCC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000346120868 298229649 /nfs/dbraw/zinc/22/96/49/298229649.db2.gz WBLSJHOENIUMOI-UHFFFAOYSA-N 1 3 339.528 0.014 20 0 ECADHO CCN1CCN(CC(=O)NCC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000346120868 298229653 /nfs/dbraw/zinc/22/96/53/298229653.db2.gz WBLSJHOENIUMOI-UHFFFAOYSA-N 1 3 339.528 0.014 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000347040299 298392822 /nfs/dbraw/zinc/39/28/22/298392822.db2.gz BEQGNKRDUASWKR-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO O=C(CCOC1C[NH2+]C1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000348997947 298643575 /nfs/dbraw/zinc/64/35/75/298643575.db2.gz ZYEZIAFMPJEFAI-UHFFFAOYSA-N 1 3 333.432 0.960 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CCN(Cc2ccccc2)CC1 ZINC000351535198 298779019 /nfs/dbraw/zinc/77/90/19/298779019.db2.gz DKIORUQFWRQASU-QGZVFWFLSA-N 1 3 344.459 0.635 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC000351762825 298832847 /nfs/dbraw/zinc/83/28/47/298832847.db2.gz NRXHQUSZTSSBCV-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000419892383 299015786 /nfs/dbraw/zinc/01/57/86/299015786.db2.gz NYUHGHGSNBBWKE-WCVJEAGWSA-N 1 3 338.496 0.870 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000353261584 299028817 /nfs/dbraw/zinc/02/88/17/299028817.db2.gz KYFZFVIOMGCKNZ-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000353261584 299028820 /nfs/dbraw/zinc/02/88/20/299028820.db2.gz KYFZFVIOMGCKNZ-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CN(CC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@H]1CCSC1 ZINC000354514021 299061332 /nfs/dbraw/zinc/06/13/32/299061332.db2.gz ZZKHXFHHZJJDRP-HNNXBMFYSA-N 1 3 342.553 0.956 20 0 ECADHO C[C@@H](CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[N@H+](C)C1CC1 ZINC000361539958 300105904 /nfs/dbraw/zinc/10/59/04/300105904.db2.gz UEENETWYBIYNMV-DOTOQJQBSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H](CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[N@@H+](C)C1CC1 ZINC000361539958 300105906 /nfs/dbraw/zinc/10/59/06/300105906.db2.gz UEENETWYBIYNMV-DOTOQJQBSA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)[C@H]1CN(C)CCN1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000074656218 436131556 /nfs/dbraw/zinc/13/15/56/436131556.db2.gz MLJSDACBEKWIDJ-IAGOWNOFSA-N 1 3 339.528 0.852 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000074657251 436132875 /nfs/dbraw/zinc/13/28/75/436132875.db2.gz LJCHNMNLLPEQMB-DLBZAZTESA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000074657251 436132881 /nfs/dbraw/zinc/13/28/81/436132881.db2.gz LJCHNMNLLPEQMB-DLBZAZTESA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)CN1CCN(C)CC1 ZINC000074656611 436133793 /nfs/dbraw/zinc/13/37/93/436133793.db2.gz UQIPCABOUTUABW-SJORKVTESA-N 1 3 337.512 0.750 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000074659978 436137205 /nfs/dbraw/zinc/13/72/05/436137205.db2.gz YFPHKBXPMFOYGD-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCCC[NH+]2CCCCCC2)CC1=O ZINC000074188262 436114288 /nfs/dbraw/zinc/11/42/88/436114288.db2.gz XAGUFPNIJILCBG-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO COCCCN1CCCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000373512772 301065597 /nfs/dbraw/zinc/06/55/97/301065597.db2.gz CBJKMBSTOIBRFF-UHFFFAOYSA-N 1 3 326.466 0.829 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]3(C)CCC(=O)NC3)CC2)CC1 ZINC000375607765 301191043 /nfs/dbraw/zinc/19/10/43/301191043.db2.gz OBIUAORSUSJFDT-GOSISDBHSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)c1cn(C2CC[NH2+]CC2)nn1 ZINC000375977546 301224423 /nfs/dbraw/zinc/22/44/23/301224423.db2.gz YHOCDZCCDCPJPG-INIZCTEOSA-N 1 3 340.431 0.819 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1(C)C ZINC000376181981 301240768 /nfs/dbraw/zinc/24/07/68/301240768.db2.gz PHQKVKRHCMKYSE-ZJOBFFGXSA-N 1 3 325.453 0.498 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1(C)C ZINC000376181981 301240771 /nfs/dbraw/zinc/24/07/71/301240771.db2.gz PHQKVKRHCMKYSE-ZJOBFFGXSA-N 1 3 325.453 0.498 20 0 ECADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000377049863 301316829 /nfs/dbraw/zinc/31/68/29/301316829.db2.gz YZKQVTOPOKCDPL-KURKYZTESA-N 1 3 349.523 0.698 20 0 ECADHO CN1CCN(C(C)(C)CNC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000079066223 436288828 /nfs/dbraw/zinc/28/88/28/436288828.db2.gz WITGNDLQNRFALC-UHFFFAOYSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)C[NH+]1CCCCC1 ZINC000077783331 436253243 /nfs/dbraw/zinc/25/32/43/436253243.db2.gz MOXNQCGXPVNWSM-HNNXBMFYSA-N 1 3 326.485 0.864 20 0 ECADHO COC[C@]1(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC[NH2+]C1 ZINC000516180116 301658998 /nfs/dbraw/zinc/65/89/98/301658998.db2.gz ZIEVCWKIPUCSFW-AEFFLSMTSA-N 1 3 338.496 0.239 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000516879146 301683637 /nfs/dbraw/zinc/68/36/37/301683637.db2.gz NYHWKDYQSIGKOU-CABCVRRESA-N 1 3 337.468 0.060 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000519777184 301759627 /nfs/dbraw/zinc/75/96/27/301759627.db2.gz YFPLMAMKAQDWAL-ZDUSSCGKSA-N 1 3 329.470 0.044 20 0 ECADHO CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC3CNC3)cc2)CC1 ZINC000519812591 301761540 /nfs/dbraw/zinc/76/15/40/301761540.db2.gz GOXQTMATVAADIT-UHFFFAOYSA-N 1 3 344.459 0.623 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)CC1 ZINC000050799136 436477906 /nfs/dbraw/zinc/47/79/06/436477906.db2.gz TUILWTUCJABJTG-AWEZNQCLSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCCN1CCN(C)CC1 ZINC000531011644 302038213 /nfs/dbraw/zinc/03/82/13/302038213.db2.gz ZGJZRRZTMICPHT-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCCN1CCN(C)CC1 ZINC000531011644 302038215 /nfs/dbraw/zinc/03/82/15/302038215.db2.gz ZGJZRRZTMICPHT-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO CN(CCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccncc1 ZINC000542784301 302204290 /nfs/dbraw/zinc/20/42/90/302204290.db2.gz DWEVVRYYOHVIIL-HNNXBMFYSA-N 1 3 347.463 0.612 20 0 ECADHO CN(CCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccncc1 ZINC000542784301 302204291 /nfs/dbraw/zinc/20/42/91/302204291.db2.gz DWEVVRYYOHVIIL-HNNXBMFYSA-N 1 3 347.463 0.612 20 0 ECADHO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000547990534 302279890 /nfs/dbraw/zinc/27/98/90/302279890.db2.gz NPTKMRNBIWZWEW-CQSZACIVSA-N 1 3 328.501 0.879 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000119846001 436672574 /nfs/dbraw/zinc/67/25/74/436672574.db2.gz KCQWFXQGPHSUEV-HZPDHXFCSA-N 1 3 338.496 0.491 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000119846001 436672577 /nfs/dbraw/zinc/67/25/77/436672577.db2.gz KCQWFXQGPHSUEV-HZPDHXFCSA-N 1 3 338.496 0.491 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCOCCO)CC1 ZINC000120258262 436683268 /nfs/dbraw/zinc/68/32/68/436683268.db2.gz LJIMNRQGGRDFIF-UHFFFAOYSA-N 1 3 341.496 0.700 20 0 ECADHO NC1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000122108981 436730948 /nfs/dbraw/zinc/73/09/48/436730948.db2.gz NFFCVQLYAWWRQT-LSDHHAIUSA-N 1 3 336.480 0.755 20 0 ECADHO COCCCNC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126496802 436787453 /nfs/dbraw/zinc/78/74/53/436787453.db2.gz DIMDLPJGDZYQAA-HNNXBMFYSA-N 1 3 328.501 0.485 20 0 ECADHO CCN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000158355989 436844460 /nfs/dbraw/zinc/84/44/60/436844460.db2.gz QPIWNMQWYXDGGG-AWEZNQCLSA-N 1 3 339.484 0.357 20 0 ECADHO CCN1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000158355989 436844464 /nfs/dbraw/zinc/84/44/64/436844464.db2.gz QPIWNMQWYXDGGG-AWEZNQCLSA-N 1 3 339.484 0.357 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000130087469 436834765 /nfs/dbraw/zinc/83/47/65/436834765.db2.gz GBKIFBREIIWMPF-OAHLLOKOSA-N 1 3 349.479 0.875 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000130087469 436834773 /nfs/dbraw/zinc/83/47/73/436834773.db2.gz GBKIFBREIIWMPF-OAHLLOKOSA-N 1 3 349.479 0.875 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)C[C@H]3CSCCN3)CC2)CC1 ZINC000133620913 436881792 /nfs/dbraw/zinc/88/17/92/436881792.db2.gz XIPZUSDZWNWQAI-HNNXBMFYSA-N 1 3 340.537 0.756 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000161853849 436899079 /nfs/dbraw/zinc/89/90/79/436899079.db2.gz JOZPDKYIHHXTRU-OAHLLOKOSA-N 1 3 326.485 0.959 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000161853849 436899084 /nfs/dbraw/zinc/89/90/84/436899084.db2.gz JOZPDKYIHHXTRU-OAHLLOKOSA-N 1 3 326.485 0.959 20 0 ECADHO CN1CCN(C(=O)CC[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298455007 437038259 /nfs/dbraw/zinc/03/82/59/437038259.db2.gz OCMGCMQYBBFMNP-UHFFFAOYSA-N 1 3 331.464 0.804 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331725147 437151119 /nfs/dbraw/zinc/15/11/19/437151119.db2.gz WPWFKRHSSMNVPI-LVQVYYBASA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331725147 437151123 /nfs/dbraw/zinc/15/11/23/437151123.db2.gz WPWFKRHSSMNVPI-LVQVYYBASA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@@H]1N(C)C ZINC000331637707 437134821 /nfs/dbraw/zinc/13/48/21/437134821.db2.gz IJTDAFJTRWGMLJ-BMFZPTHFSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H](C(=O)NC(=O)NC1CC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375837 437180949 /nfs/dbraw/zinc/18/09/49/437180949.db2.gz DHAQWIOJJCDIHX-ZDUSSCGKSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@H](CNC(=O)c1cc(C(=O)NC[C@@H](C)[NH+](C)C)ccn1)N(C)C ZINC000266801956 437245336 /nfs/dbraw/zinc/24/53/36/437245336.db2.gz HCMDCJQVCSWCNY-CHWSQXEVSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@@H](C)[NH+](C)C)c1)N(C)C ZINC000266801956 437245338 /nfs/dbraw/zinc/24/53/38/437245338.db2.gz HCMDCJQVCSWCNY-CHWSQXEVSA-N 1 3 335.452 0.441 20 0 ECADHO O=S(=O)([C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1)N1CCOCC1 ZINC000333482994 437272885 /nfs/dbraw/zinc/27/28/85/437272885.db2.gz CJKKRFVWUCDKRJ-CVEARBPZSA-N 1 3 345.509 0.503 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)C[C@H]2N)cn1 ZINC000333615684 437277524 /nfs/dbraw/zinc/27/75/24/437277524.db2.gz SQAMDJLGNHCWMZ-XUWVNRHRSA-N 1 3 332.452 0.483 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)C[C@H]2N)cn1 ZINC000333615684 437277528 /nfs/dbraw/zinc/27/75/28/437277528.db2.gz SQAMDJLGNHCWMZ-XUWVNRHRSA-N 1 3 332.452 0.483 20 0 ECADHO COCCCOCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000180115462 437280845 /nfs/dbraw/zinc/28/08/45/437280845.db2.gz MHIRNKLADJUGQY-UHFFFAOYSA-N 1 3 327.469 0.714 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333815585 437289270 /nfs/dbraw/zinc/28/92/70/437289270.db2.gz KAPKIYFPHVUTIN-GJZGRUSLSA-N 1 3 337.468 0.077 20 0 ECADHO CN(C)C[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000183209587 437379936 /nfs/dbraw/zinc/37/99/36/437379936.db2.gz VIXJLJRFTBCRGY-HNNXBMFYSA-N 1 3 336.436 0.425 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000339581034 437473890 /nfs/dbraw/zinc/47/38/90/437473890.db2.gz UGGHCAKNUXYBCK-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CN1CCC(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000339633009 437481467 /nfs/dbraw/zinc/48/14/67/437481467.db2.gz BUFCTBSPSPSESA-AWEZNQCLSA-N 1 3 326.485 0.679 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000339637347 437481473 /nfs/dbraw/zinc/48/14/73/437481473.db2.gz YLEDDTUHCOGMCB-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000339637347 437481475 /nfs/dbraw/zinc/48/14/75/437481475.db2.gz YLEDDTUHCOGMCB-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nncn2C1 ZINC000339655624 437485173 /nfs/dbraw/zinc/48/51/73/437485173.db2.gz RLFSTLKVOONBPU-HZPDHXFCSA-N 1 3 348.495 0.715 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nncn2C1 ZINC000339655624 437485177 /nfs/dbraw/zinc/48/51/77/437485177.db2.gz RLFSTLKVOONBPU-HZPDHXFCSA-N 1 3 348.495 0.715 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C(C)C ZINC000339320437 437457006 /nfs/dbraw/zinc/45/70/06/437457006.db2.gz DYHCHJHFHNKAKY-CVEARBPZSA-N 1 3 338.496 0.917 20 0 ECADHO CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000187023727 437492872 /nfs/dbraw/zinc/49/28/72/437492872.db2.gz YUXSXCNMMJAVRG-GJZGRUSLSA-N 1 3 342.484 0.949 20 0 ECADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000187935974 437518499 /nfs/dbraw/zinc/51/84/99/437518499.db2.gz IABVLFPTWLLRLN-LSDHHAIUSA-N 1 3 334.420 0.892 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000187946141 437518972 /nfs/dbraw/zinc/51/89/72/437518972.db2.gz DXUAIFHULZWICB-ZWKOTPCHSA-N 1 3 347.459 0.636 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000360134655 437533412 /nfs/dbraw/zinc/53/34/12/437533412.db2.gz GXOSONZKNAVUKA-MRXNPFEDSA-N 1 3 327.517 0.994 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000360134655 437533415 /nfs/dbraw/zinc/53/34/15/437533415.db2.gz GXOSONZKNAVUKA-MRXNPFEDSA-N 1 3 327.517 0.994 20 0 ECADHO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc3c(c2)CNCCO3)CC1=O ZINC000291039341 437555432 /nfs/dbraw/zinc/55/54/32/437555432.db2.gz HXFJTJXAEFPRCF-AWEZNQCLSA-N 1 3 346.431 0.517 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360257227 437568613 /nfs/dbraw/zinc/56/86/13/437568613.db2.gz JZWNJYPNCGJHEB-HNNXBMFYSA-N 1 3 332.514 0.691 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360257227 437568620 /nfs/dbraw/zinc/56/86/20/437568620.db2.gz JZWNJYPNCGJHEB-HNNXBMFYSA-N 1 3 332.514 0.691 20 0 ECADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@H](F)CN2)c1 ZINC000188747253 437570745 /nfs/dbraw/zinc/57/07/45/437570745.db2.gz JHANEKRRPGUGLK-LSDHHAIUSA-N 1 3 336.411 0.294 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000343683199 437627656 /nfs/dbraw/zinc/62/76/56/437627656.db2.gz VBUPZACNNQXXIL-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000343700848 437631904 /nfs/dbraw/zinc/63/19/04/437631904.db2.gz FFAZKBGFROYARG-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000343700848 437631910 /nfs/dbraw/zinc/63/19/10/437631910.db2.gz FFAZKBGFROYARG-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)CCN(C)C ZINC000340350678 437632203 /nfs/dbraw/zinc/63/22/03/437632203.db2.gz RVVMUUAAQQKTBW-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)CCN(C)C ZINC000340350678 437632206 /nfs/dbraw/zinc/63/22/06/437632206.db2.gz RVVMUUAAQQKTBW-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343781988 437656373 /nfs/dbraw/zinc/65/63/73/437656373.db2.gz NGQPJDJUSGEPSO-JKIFEVAISA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000343781988 437656378 /nfs/dbraw/zinc/65/63/78/437656378.db2.gz NGQPJDJUSGEPSO-JKIFEVAISA-N 1 3 348.491 0.718 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000340480806 437660182 /nfs/dbraw/zinc/66/01/82/437660182.db2.gz VGINYNIRLGCCSB-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000340480806 437660187 /nfs/dbraw/zinc/66/01/87/437660187.db2.gz VGINYNIRLGCCSB-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)C[N@H+](C)CC2CC2)CC1)CC1CC1 ZINC000193482505 437709396 /nfs/dbraw/zinc/70/93/96/437709396.db2.gz XTEHEOIPRRYZOO-UHFFFAOYSA-N 1 3 336.480 0.341 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)C[N@@H+](C)CC2CC2)CC1)CC1CC1 ZINC000193482505 437709401 /nfs/dbraw/zinc/70/94/01/437709401.db2.gz XTEHEOIPRRYZOO-UHFFFAOYSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@@H+]1C ZINC000356480486 437769618 /nfs/dbraw/zinc/76/96/18/437769618.db2.gz ZWOUVYVGIKTQMP-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@H+]1C ZINC000356480486 437769620 /nfs/dbraw/zinc/76/96/20/437769620.db2.gz ZWOUVYVGIKTQMP-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1)C[NH+]1CCCC1 ZINC000340783319 437730980 /nfs/dbraw/zinc/73/09/80/437730980.db2.gz WCKBDDLQNVOWIV-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO COCCCN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000362752520 437753590 /nfs/dbraw/zinc/75/35/90/437753590.db2.gz HTDGFICXSXGWHK-INIZCTEOSA-N 1 3 327.469 0.714 20 0 ECADHO COCCCN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000362752520 437753594 /nfs/dbraw/zinc/75/35/94/437753594.db2.gz HTDGFICXSXGWHK-INIZCTEOSA-N 1 3 327.469 0.714 20 0 ECADHO CN(C)CCN(Cc1ccccc1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423733897 437819480 /nfs/dbraw/zinc/81/94/80/437819480.db2.gz QLIOQROWDXHOQL-UHFFFAOYSA-N 1 3 330.436 0.831 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C[NH3+])c(C)c2)CC1 ZINC000415597757 437827308 /nfs/dbraw/zinc/82/73/08/437827308.db2.gz JRLZXNPSAYMLFD-CQSZACIVSA-N 1 3 347.463 0.539 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000356532752 437781503 /nfs/dbraw/zinc/78/15/03/437781503.db2.gz SWTMKZNAEIJBQL-PMPSAXMXSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000356532752 437781506 /nfs/dbraw/zinc/78/15/06/437781506.db2.gz SWTMKZNAEIJBQL-PMPSAXMXSA-N 1 3 338.496 0.822 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)C1 ZINC000415367851 437792505 /nfs/dbraw/zinc/79/25/05/437792505.db2.gz YZDRVQKDSCOJEE-OAHLLOKOSA-N 1 3 348.447 0.776 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c2)CC1 ZINC000415413168 437797901 /nfs/dbraw/zinc/79/79/01/437797901.db2.gz CWUSMJXOWBJGDQ-AWEZNQCLSA-N 1 3 347.463 0.573 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423726691 437814350 /nfs/dbraw/zinc/81/43/50/437814350.db2.gz UHSIEDLZPHWCLX-OIISXLGYSA-N 1 3 344.459 0.382 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423726691 437814356 /nfs/dbraw/zinc/81/43/56/437814356.db2.gz UHSIEDLZPHWCLX-OIISXLGYSA-N 1 3 344.459 0.382 20 0 ECADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c2)CC1 ZINC000423842165 437840498 /nfs/dbraw/zinc/84/04/98/437840498.db2.gz JZBNBMOCMKRTBK-IAGOWNOFSA-N 1 3 332.448 0.878 20 0 ECADHO COC[C@@H](C)NC(=O)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300576 437920520 /nfs/dbraw/zinc/92/05/20/437920520.db2.gz WUHMWOMESJPBMP-OLZOCXBDSA-N 1 3 326.441 0.311 20 0 ECADHO C[NH+](C)CCN1CCC(NC(=O)N2CCCN(C3CC3)CC2)CC1 ZINC000371475924 437942243 /nfs/dbraw/zinc/94/22/43/437942243.db2.gz QQCGBXVBHWMWGU-UHFFFAOYSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(C)(C)C[NH+](C)C ZINC000424461461 437943665 /nfs/dbraw/zinc/94/36/65/437943665.db2.gz KUQFIJVKPNTFTK-VHDGCEQUSA-N 1 3 336.484 0.833 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357583893 438018341 /nfs/dbraw/zinc/01/83/41/438018341.db2.gz WFMKSBZBQVNIBL-LSDHHAIUSA-N 1 3 342.484 0.012 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357583893 438018347 /nfs/dbraw/zinc/01/83/47/438018347.db2.gz WFMKSBZBQVNIBL-LSDHHAIUSA-N 1 3 342.484 0.012 20 0 ECADHO CN(CCN1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000372103835 438034158 /nfs/dbraw/zinc/03/41/58/438034158.db2.gz WXDGFYRTXXWNKY-IBGZPJMESA-N 1 3 348.466 0.964 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417369670 438043487 /nfs/dbraw/zinc/04/34/87/438043487.db2.gz RAMMEZYSDNOMBG-HNNXBMFYSA-N 1 3 334.468 0.630 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1(C)C ZINC000366281370 438046739 /nfs/dbraw/zinc/04/67/39/438046739.db2.gz MYAZGJISYPFDNC-SFHVURJKSA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1(C)C ZINC000366281370 438046742 /nfs/dbraw/zinc/04/67/42/438046742.db2.gz MYAZGJISYPFDNC-SFHVURJKSA-N 1 3 337.512 0.750 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417428957 438047825 /nfs/dbraw/zinc/04/78/25/438047825.db2.gz MDUIDLZLHMCUIT-ZIAGYGMSSA-N 1 3 327.473 0.084 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417428376 438048211 /nfs/dbraw/zinc/04/82/11/438048211.db2.gz KVDMMCOMTIKTCJ-UONOGXRCSA-N 1 3 327.473 0.212 20 0 ECADHO CN(C)[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000416827416 437995056 /nfs/dbraw/zinc/99/50/56/437995056.db2.gz CQEPOILRXGXLSW-IRXDYDNUSA-N 1 3 334.464 0.919 20 0 ECADHO COC[C@]1(CNC(=O)NC[C@]2(N(C)C)CCSC2)CCC[NH2+]1 ZINC000417808633 438080236 /nfs/dbraw/zinc/08/02/36/438080236.db2.gz AEFUYGOKFYYWKF-HUUCEWRRSA-N 1 3 330.498 0.492 20 0 ECADHO C[C@@H]1CCN[C@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1 ZINC000417783411 438081433 /nfs/dbraw/zinc/08/14/33/438081433.db2.gz NDINDVQSJRQADW-RISCZKNCSA-N 1 3 340.449 0.250 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H](O)CN3)nc2)CC1 ZINC000357919575 438099189 /nfs/dbraw/zinc/09/91/89/438099189.db2.gz KNDXZMMNBHMHNM-GJZGRUSLSA-N 1 3 333.436 0.273 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N[C@H]1CCC[NH2+]C1 ZINC000417993449 438099586 /nfs/dbraw/zinc/09/95/86/438099586.db2.gz OENWMUJTOHELDI-IRXDYDNUSA-N 1 3 332.448 0.804 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000417473509 438053660 /nfs/dbraw/zinc/05/36/60/438053660.db2.gz LCJDIWSQIKXCQH-INIZCTEOSA-N 1 3 347.463 0.515 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417479994 438055498 /nfs/dbraw/zinc/05/54/98/438055498.db2.gz UXCNXCZREYLBHK-CYBMUJFWSA-N 1 3 335.452 0.372 20 0 ECADHO N=C(NO)[C@@H]1CCCCN1CCCN1CCCC[C@H]1C(=[NH2+])NO ZINC000372310690 438067194 /nfs/dbraw/zinc/06/71/94/438067194.db2.gz VPGDVCYZZLIWMO-STQMWFEESA-N 1 3 326.445 0.998 20 0 ECADHO C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)CN1CCN(C)CC1 ZINC000417753587 438072186 /nfs/dbraw/zinc/07/21/86/438072186.db2.gz OPVRCXDRUFUAMW-GOEBONIOSA-N 1 3 325.501 0.687 20 0 ECADHO CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H](C)CN2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430264814 438108735 /nfs/dbraw/zinc/10/87/35/438108735.db2.gz XZUWQUDUVSHNJB-GJWQZFMSSA-N 1 3 338.496 0.539 20 0 ECADHO CNC(=O)[C@]1(C)CC[N@H+](C[C@@H](C)CN2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430264814 438108738 /nfs/dbraw/zinc/10/87/38/438108738.db2.gz XZUWQUDUVSHNJB-GJWQZFMSSA-N 1 3 338.496 0.539 20 0 ECADHO CNC(=O)[C@]1(C)CCN(C[C@@H](C)C[N@@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430264814 438108742 /nfs/dbraw/zinc/10/87/42/438108742.db2.gz XZUWQUDUVSHNJB-GJWQZFMSSA-N 1 3 338.496 0.539 20 0 ECADHO CNC(=O)[C@]1(C)CCN(C[C@@H](C)C[N@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430264814 438108744 /nfs/dbraw/zinc/10/87/44/438108744.db2.gz XZUWQUDUVSHNJB-GJWQZFMSSA-N 1 3 338.496 0.539 20 0 ECADHO O=C(CCOC1CNC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000348990347 438123216 /nfs/dbraw/zinc/12/32/16/438123216.db2.gz KXSXZMXDHDXXCV-UHFFFAOYSA-N 1 3 325.453 0.468 20 0 ECADHO C[NH2+]CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418288247 438126235 /nfs/dbraw/zinc/12/62/35/438126235.db2.gz VZGFKDOBULWDJR-IAGOWNOFSA-N 1 3 334.464 0.778 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000343013818 438104804 /nfs/dbraw/zinc/10/48/04/438104804.db2.gz FUZLUAYUNQWMJP-HOCLYGCPSA-N 1 3 338.496 0.824 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000430893522 438129393 /nfs/dbraw/zinc/12/93/93/438129393.db2.gz JSBHKLFKSPKPQJ-HOTGVXAUSA-N 1 3 332.448 0.260 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000430893522 438129397 /nfs/dbraw/zinc/12/93/97/438129397.db2.gz JSBHKLFKSPKPQJ-HOTGVXAUSA-N 1 3 332.448 0.260 20 0 ECADHO C[C@H]1CN(CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@@H]1[NH3+] ZINC000430939129 438135007 /nfs/dbraw/zinc/13/50/07/438135007.db2.gz KGKGPFVQULWBDD-HOTGVXAUSA-N 1 3 331.464 0.789 20 0 ECADHO CCC[NH2+]CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000418467432 438148420 /nfs/dbraw/zinc/14/84/20/438148420.db2.gz FNOCJBYCYXMCCB-UHFFFAOYSA-N 1 3 327.473 0.182 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)CCC[NH3+])CC1 ZINC000418686535 438175097 /nfs/dbraw/zinc/17/50/97/438175097.db2.gz KDLCTPKASPRVNP-CQSZACIVSA-N 1 3 327.473 0.309 20 0 ECADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418729948 438177754 /nfs/dbraw/zinc/17/77/54/438177754.db2.gz RQBLDEBTBHHYQX-DIECFANBSA-N 1 3 334.464 0.904 20 0 ECADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000418757171 438182320 /nfs/dbraw/zinc/18/23/20/438182320.db2.gz DLKCVLXGZJSJRP-HZPDHXFCSA-N 1 3 336.436 0.586 20 0 ECADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418787835 438188352 /nfs/dbraw/zinc/18/83/52/438188352.db2.gz KGFRXKODBWDSJZ-CABCVRRESA-N 1 3 339.484 0.405 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000358100789 438152428 /nfs/dbraw/zinc/15/24/28/438152428.db2.gz TYYGINLQLCVNKS-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000358100789 438152431 /nfs/dbraw/zinc/15/24/31/438152431.db2.gz TYYGINLQLCVNKS-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3CC=CCC3)C2)CC1 ZINC000373497837 438152633 /nfs/dbraw/zinc/15/26/33/438152633.db2.gz VXPPLVUQFLVINQ-MRXNPFEDSA-N 1 3 335.496 0.716 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCN3CC=CCC3)C2)CC1 ZINC000373497837 438152635 /nfs/dbraw/zinc/15/26/35/438152635.db2.gz VXPPLVUQFLVINQ-MRXNPFEDSA-N 1 3 335.496 0.716 20 0 ECADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCN3CC=CCC3)C2)CC1 ZINC000373497837 438152638 /nfs/dbraw/zinc/15/26/38/438152638.db2.gz VXPPLVUQFLVINQ-MRXNPFEDSA-N 1 3 335.496 0.716 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418574272 438162449 /nfs/dbraw/zinc/16/24/49/438162449.db2.gz GDZZDGHDNQDSEQ-GJZGRUSLSA-N 1 3 325.501 0.972 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418584847 438162510 /nfs/dbraw/zinc/16/25/10/438162510.db2.gz CNVWOCTXNSXHSN-HZPDHXFCSA-N 1 3 326.485 0.896 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000418872518 438230454 /nfs/dbraw/zinc/23/04/54/438230454.db2.gz WSHCAVSQVQVSHZ-AWEZNQCLSA-N 1 3 338.496 0.871 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000418880594 438234187 /nfs/dbraw/zinc/23/41/87/438234187.db2.gz VRERRLMHNSYHCK-IRXDYDNUSA-N 1 3 346.475 0.615 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000358521818 438244356 /nfs/dbraw/zinc/24/43/56/438244356.db2.gz PNQMRQJOIBVQFS-ARFHVFGLSA-N 1 3 325.501 0.604 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433401586 438244816 /nfs/dbraw/zinc/24/48/16/438244816.db2.gz YTFABNDWUMCUBD-HIFRSBDPSA-N 1 3 332.452 0.949 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000374238926 438198396 /nfs/dbraw/zinc/19/83/96/438198396.db2.gz CBYJQMMPXPPEAQ-MRXNPFEDSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000374238926 438198401 /nfs/dbraw/zinc/19/84/01/438198401.db2.gz CBYJQMMPXPPEAQ-MRXNPFEDSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)Cc1ccccc1 ZINC000418828608 438205332 /nfs/dbraw/zinc/20/53/32/438205332.db2.gz CXNRMZQJJQIJMO-HNNXBMFYSA-N 1 3 332.448 0.273 20 0 ECADHO O=C1CC[C@@H](NCCC[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)[C@H](C2CC2)N1 ZINC000367458502 438210127 /nfs/dbraw/zinc/21/01/27/438210127.db2.gz LUQYGNVOLHIIQS-QXGSTGNESA-N 1 3 348.491 0.670 20 0 ECADHO O=C1CC[C@@H]([NH2+]CCCN[C@H]2CCC(=O)N[C@H]2C2CC2)[C@H](C2CC2)N1 ZINC000367458502 438210132 /nfs/dbraw/zinc/21/01/32/438210132.db2.gz LUQYGNVOLHIIQS-QXGSTGNESA-N 1 3 348.491 0.670 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418944453 438260677 /nfs/dbraw/zinc/26/06/77/438260677.db2.gz JUSJPBWMOBSBRU-NVXWUHKLSA-N 1 3 346.475 0.881 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418954452 438264005 /nfs/dbraw/zinc/26/40/05/438264005.db2.gz WLOCWEHEYNNWNU-GDBMZVCRSA-N 1 3 334.464 0.723 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000418981950 438271146 /nfs/dbraw/zinc/27/11/46/438271146.db2.gz BNLFXKCSIVTEIA-SFHVURJKSA-N 1 3 332.448 0.562 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000418982944 438271601 /nfs/dbraw/zinc/27/16/01/438271601.db2.gz BPHIQGXXDXSPSC-GXTWGEPZSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000418982944 438271605 /nfs/dbraw/zinc/27/16/05/438271605.db2.gz BPHIQGXXDXSPSC-GXTWGEPZSA-N 1 3 340.468 0.206 20 0 ECADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)N3CCN(c4ccccn4)CC3)C[C@H]12 ZINC000351502269 438272390 /nfs/dbraw/zinc/27/23/90/438272390.db2.gz ZMJDJZBQBRMLDG-YESZJQIVSA-N 1 3 343.475 0.789 20 0 ECADHO C[N@H+](CCCCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C1CC1 ZINC000418996809 438277969 /nfs/dbraw/zinc/27/79/69/438277969.db2.gz SSXFVDIINPXFDT-MRXNPFEDSA-N 1 3 332.448 0.793 20 0 ECADHO C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C1CC1 ZINC000418996809 438277975 /nfs/dbraw/zinc/27/79/75/438277975.db2.gz SSXFVDIINPXFDT-MRXNPFEDSA-N 1 3 332.448 0.793 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000419001897 438278577 /nfs/dbraw/zinc/27/85/77/438278577.db2.gz PNMZOQXVUZGICO-KRWDZBQOSA-N 1 3 346.475 0.693 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000419003107 438281660 /nfs/dbraw/zinc/28/16/60/438281660.db2.gz TXGUDJHQHGPECE-IBGZPJMESA-N 1 3 346.475 0.870 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017156 438287165 /nfs/dbraw/zinc/28/71/65/438287165.db2.gz AOULGUMHJUPYMI-HUUCEWRRSA-N 1 3 336.480 0.649 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419024852 438293434 /nfs/dbraw/zinc/29/34/34/438293434.db2.gz LDDZOJWMQSFPQZ-AWEZNQCLSA-N 1 3 336.480 0.649 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419023189 438293463 /nfs/dbraw/zinc/29/34/63/438293463.db2.gz JGKUVODHEVFYBO-RBSFLKMASA-N 1 3 338.496 0.727 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419024476 438294326 /nfs/dbraw/zinc/29/43/26/438294326.db2.gz KWSZZIWCMLZCBH-KBPBESRZSA-N 1 3 326.485 0.857 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419024385 438294392 /nfs/dbraw/zinc/29/43/92/438294392.db2.gz KSCMPYRVPZYTEV-XFIYOXNOSA-N 1 3 338.496 0.583 20 0 ECADHO CCN1CCN(CCCCNC(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000358866521 438318379 /nfs/dbraw/zinc/31/83/79/438318379.db2.gz RBXKWUQTADZVKZ-UHFFFAOYSA-N 1 3 340.512 0.537 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351689595 438319426 /nfs/dbraw/zinc/31/94/26/438319426.db2.gz ZOLGWTQWRNUOFE-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO CN(CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C1CC1 ZINC000419097575 438319678 /nfs/dbraw/zinc/31/96/78/438319678.db2.gz GCURBJDLCPLCSP-GOEBONIOSA-N 1 3 348.422 0.289 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419127012 438333729 /nfs/dbraw/zinc/33/37/29/438333729.db2.gz YYBXOZRUGROTJQ-HOTGVXAUSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N1CCC(C)CC1 ZINC000419141483 438345131 /nfs/dbraw/zinc/34/51/31/438345131.db2.gz ATAKDXGTDXXWSP-HOCLYGCPSA-N 1 3 338.496 0.857 20 0 ECADHO NC[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000434672070 438313090 /nfs/dbraw/zinc/31/30/90/438313090.db2.gz XLJXLFWAOMKBMI-IAGOWNOFSA-N 1 3 340.427 0.824 20 0 ECADHO CCS(=O)(=O)NCCCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378436101 438388163 /nfs/dbraw/zinc/38/81/63/438388163.db2.gz VGYOJEUWSIJYES-MRXNPFEDSA-N 1 3 346.541 0.416 20 0 ECADHO CCS(=O)(=O)NCCCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378436101 438388167 /nfs/dbraw/zinc/38/81/67/438388167.db2.gz VGYOJEUWSIJYES-MRXNPFEDSA-N 1 3 346.541 0.416 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1)C1CC1 ZINC000359246807 438391747 /nfs/dbraw/zinc/39/17/47/438391747.db2.gz DEPBNDASXFJVEY-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419221910 438351444 /nfs/dbraw/zinc/35/14/44/438351444.db2.gz AXSAMFPCFCVZER-NVXWUHKLSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)N(C)C1CC1 ZINC000419595140 438363439 /nfs/dbraw/zinc/36/34/39/438363439.db2.gz WDOUNTQUSAWOGT-XOKHGSTOSA-N 1 3 344.459 0.539 20 0 ECADHO C[C@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)C1=CCN(C)CC1 ZINC000419631101 438364922 /nfs/dbraw/zinc/36/49/22/438364922.db2.gz UTIDILNLHUFSMX-HNNXBMFYSA-N 1 3 344.459 0.741 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000419692768 438367768 /nfs/dbraw/zinc/36/77/68/438367768.db2.gz HFMMQHMHMSEYIZ-QLFBSQMISA-N 1 3 336.480 0.563 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419701383 438368844 /nfs/dbraw/zinc/36/88/44/438368844.db2.gz UCCMTFVJNFYVFJ-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)[C@H]1C[NH3+] ZINC000419697418 438370244 /nfs/dbraw/zinc/37/02/44/438370244.db2.gz QOOUECJCIHPQNG-YCPHGPKFSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCCN1C ZINC000352082158 438376836 /nfs/dbraw/zinc/37/68/36/438376836.db2.gz IAVJMHHFOQDAOR-GDBMZVCRSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCN1C ZINC000352082158 438376841 /nfs/dbraw/zinc/37/68/41/438376841.db2.gz IAVJMHHFOQDAOR-GDBMZVCRSA-N 1 3 326.485 0.957 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000419950183 438379059 /nfs/dbraw/zinc/37/90/59/438379059.db2.gz HYKILAHSSUCTCJ-LSDHHAIUSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000419950183 438379062 /nfs/dbraw/zinc/37/90/62/438379062.db2.gz HYKILAHSSUCTCJ-LSDHHAIUSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@H](C(=O)N1CCOCC1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359211074 438380682 /nfs/dbraw/zinc/38/06/82/438380682.db2.gz FOUUYLPPRLMHBE-MRXNPFEDSA-N 1 3 338.496 0.241 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420075722 438386005 /nfs/dbraw/zinc/38/60/05/438386005.db2.gz UAQYYBSDBPOAJX-LZWOXQAQSA-N 1 3 338.496 0.999 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359454862 438438345 /nfs/dbraw/zinc/43/83/45/438438345.db2.gz KLUZTZJFSWSQSZ-UHFFFAOYSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)C(=O)N1CCCCC1 ZINC000420336390 438400225 /nfs/dbraw/zinc/40/02/25/438400225.db2.gz MGFWNPHQPAFGQH-HRCADAONSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000420336105 438400995 /nfs/dbraw/zinc/40/09/95/438400995.db2.gz VKQILRZAJKGAFF-DLBZAZTESA-N 1 3 348.491 0.389 20 0 ECADHO CSC1(CNC(=O)[C@H]2CN3CCN2CCC3)CC[NH+](C)CC1 ZINC000359297244 438408431 /nfs/dbraw/zinc/40/84/31/438408431.db2.gz RTDREAKCIQXINK-CQSZACIVSA-N 1 3 326.510 0.320 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000420453418 438409027 /nfs/dbraw/zinc/40/90/27/438409027.db2.gz UMZCDMDOAKUSIS-UHFFFAOYSA-N 1 3 343.497 0.482 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000359325988 438411464 /nfs/dbraw/zinc/41/14/64/438411464.db2.gz UPEFECFKCCCCCO-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CC1 ZINC000359325988 438411467 /nfs/dbraw/zinc/41/14/67/438411467.db2.gz UPEFECFKCCCCCO-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000369557419 438489988 /nfs/dbraw/zinc/48/99/88/438489988.db2.gz VMPFQRYBGOGXOJ-RBSFLKMASA-N 1 3 333.436 0.401 20 0 ECADHO COCCC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000369660842 438502376 /nfs/dbraw/zinc/50/23/76/438502376.db2.gz MLKMCKHCWVETFV-INIZCTEOSA-N 1 3 342.484 0.461 20 0 ECADHO COCCC[N@H+]1CCCN(C(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000369660842 438502378 /nfs/dbraw/zinc/50/23/78/438502378.db2.gz MLKMCKHCWVETFV-INIZCTEOSA-N 1 3 342.484 0.461 20 0 ECADHO CC(C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000422148062 438528997 /nfs/dbraw/zinc/52/89/97/438528997.db2.gz MUWLTFSQVHOKGZ-IAGOWNOFSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000422148062 438529000 /nfs/dbraw/zinc/52/90/00/438529000.db2.gz MUWLTFSQVHOKGZ-IAGOWNOFSA-N 1 3 339.528 0.994 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422290389 438545430 /nfs/dbraw/zinc/54/54/30/438545430.db2.gz APSZNZRGZBRZJQ-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422290389 438545431 /nfs/dbraw/zinc/54/54/31/438545431.db2.gz APSZNZRGZBRZJQ-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO COCCCN1CCC[N@H+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000370296336 438568485 /nfs/dbraw/zinc/56/84/85/438568485.db2.gz ZGPRWZRCIYWDSL-UHFFFAOYSA-N 1 3 326.485 0.195 20 0 ECADHO COCCCN1CCC[N@@H+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000370296336 438568487 /nfs/dbraw/zinc/56/84/87/438568487.db2.gz ZGPRWZRCIYWDSL-UHFFFAOYSA-N 1 3 326.485 0.195 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000440985545 438573219 /nfs/dbraw/zinc/57/32/19/438573219.db2.gz UERNGVKWSJCDFK-CABCVRRESA-N 1 3 325.501 0.794 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000440985545 438573220 /nfs/dbraw/zinc/57/32/20/438573220.db2.gz UERNGVKWSJCDFK-CABCVRRESA-N 1 3 325.501 0.794 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440976836 438573956 /nfs/dbraw/zinc/57/39/56/438573956.db2.gz IQRCKCRWWSRRJD-UHFFFAOYSA-N 1 3 343.516 0.280 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440976836 438573959 /nfs/dbraw/zinc/57/39/59/438573959.db2.gz IQRCKCRWWSRRJD-UHFFFAOYSA-N 1 3 343.516 0.280 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410584686 438605175 /nfs/dbraw/zinc/60/51/75/438605175.db2.gz LUZWJIQEHXOFIC-RDJZCZTQSA-N 1 3 348.491 0.768 20 0 ECADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422409840 438563677 /nfs/dbraw/zinc/56/36/77/438563677.db2.gz MLBYWYYWHGRORS-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000442767346 438622225 /nfs/dbraw/zinc/62/22/25/438622225.db2.gz YLGXWTZIXAEZES-NWDGAFQWSA-N 1 3 340.449 0.332 20 0 ECADHO COCCN(CCO)CC1(c2ccccc2)CC[NH+](CCO)CC1 ZINC000442894306 438627931 /nfs/dbraw/zinc/62/79/31/438627931.db2.gz YWEXJNMMEWOFSZ-UHFFFAOYSA-N 1 3 336.476 0.953 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000423153696 438643763 /nfs/dbraw/zinc/64/37/63/438643763.db2.gz NYXWGVSWOCITDM-ZBFHGGJFSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423210553 438648735 /nfs/dbraw/zinc/64/87/35/438648735.db2.gz XAQWEENHANRTIJ-CQSZACIVSA-N 1 3 340.493 0.493 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000423198898 438648919 /nfs/dbraw/zinc/64/89/19/438648919.db2.gz IOXUGDBJUPVQAB-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000423224139 438649984 /nfs/dbraw/zinc/64/99/84/438649984.db2.gz IHXAOYXSUNLOMG-XHSDSOJGSA-N 1 3 336.480 0.659 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423227778 438650545 /nfs/dbraw/zinc/65/05/45/438650545.db2.gz WYJZNEUBEPNBOY-YESZJQIVSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423237647 438651105 /nfs/dbraw/zinc/65/11/05/438651105.db2.gz QERIAQJFBXJYNX-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000423364314 438666030 /nfs/dbraw/zinc/66/60/30/438666030.db2.gz VJBVSIAHLHNUDY-PBHICJAKSA-N 1 3 346.475 0.982 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410887330 438666998 /nfs/dbraw/zinc/66/69/98/438666998.db2.gz QIKTZAPXNGTNSC-HNNXBMFYSA-N 1 3 326.485 0.728 20 0 ECADHO COCCN(C)CCOc1cccc(CNC(=O)C2(C)C[NH2+]C2)c1 ZINC000423387750 438670943 /nfs/dbraw/zinc/67/09/43/438670943.db2.gz ICTRYZNKSSHMMQ-UHFFFAOYSA-N 1 3 335.448 0.869 20 0 ECADHO CN(C)[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)Cc1ccccc1 ZINC000423311962 438658575 /nfs/dbraw/zinc/65/85/75/438658575.db2.gz UTMOOJNGCZLVGO-MRXNPFEDSA-N 1 3 344.463 0.920 20 0 ECADHO [NH3+]CCOc1ccc(NC(=O)C(=O)NCCN2CCCCCC2)cc1 ZINC000414703797 438715901 /nfs/dbraw/zinc/71/59/01/438715901.db2.gz MDAMPTYMGGMKLL-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414818553 438717476 /nfs/dbraw/zinc/71/74/76/438717476.db2.gz WBOIKLMMEDCQJE-UHFFFAOYSA-N 1 3 348.447 0.307 20 0 ECADHO CN1CCN(CCNC(=O)NCC[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000574861803 438724841 /nfs/dbraw/zinc/72/48/41/438724841.db2.gz KBKQCJOULKQTNM-OAHLLOKOSA-N 1 3 325.501 0.701 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000576861119 438802245 /nfs/dbraw/zinc/80/22/45/438802245.db2.gz ZQBDQKPLNVWFMT-ZBFHGGJFSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000576958494 438806287 /nfs/dbraw/zinc/80/62/87/438806287.db2.gz LHOVQMVTFDGXPX-KBXIAJHMSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000576958494 438806290 /nfs/dbraw/zinc/80/62/90/438806290.db2.gz LHOVQMVTFDGXPX-KBXIAJHMSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000576157956 438771568 /nfs/dbraw/zinc/77/15/68/438771568.db2.gz YLRZOFFDZPJUPI-ZIAGYGMSSA-N 1 3 342.509 0.188 20 0 ECADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCN(C)C[C@@H]2CN)([NH+](C)C)C1 ZINC000576687252 438794090 /nfs/dbraw/zinc/79/40/90/438794090.db2.gz IYGWDAZECKZVDY-HLLBOEOZSA-N 1 3 325.501 0.781 20 0 ECADHO O=C(C(=O)N1CCCNCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000577214678 438823058 /nfs/dbraw/zinc/82/30/58/438823058.db2.gz ZJRVUKZAYRGVCA-HOCLYGCPSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(C(=O)N1CCCNCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000577214678 438823062 /nfs/dbraw/zinc/82/30/62/438823062.db2.gz ZJRVUKZAYRGVCA-HOCLYGCPSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000577370468 438835624 /nfs/dbraw/zinc/83/56/24/438835624.db2.gz JVDBZPPLNAEXAW-GJZGRUSLSA-N 1 3 326.485 0.727 20 0 ECADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000577386961 438836350 /nfs/dbraw/zinc/83/63/50/438836350.db2.gz XBGMBTNEJBJGRR-UKRRQHHQSA-N 1 3 334.420 0.794 20 0 ECADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000516173605 438893560 /nfs/dbraw/zinc/89/35/60/438893560.db2.gz LWNNRPKHRGHMGK-ILXRZTDVSA-N 1 3 332.514 0.625 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000565109855 438917080 /nfs/dbraw/zinc/91/70/80/438917080.db2.gz JVMORFAECQMWFT-UHFFFAOYSA-N 1 3 338.456 0.677 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H](C)C[C@@H](C)[NH3+])C(=O)NCCN(C)C ZINC000517028995 438945818 /nfs/dbraw/zinc/94/58/18/438945818.db2.gz UKBUNTMEZXUTSC-MCIONIFRSA-N 1 3 329.489 0.504 20 0 ECADHO c1cnc(N2CCN(CCNC3CC[NH+](C4CC4)CC3)CC2)nc1 ZINC000459390641 438964557 /nfs/dbraw/zinc/96/45/57/438964557.db2.gz NFQNNNRSHUGFAI-UHFFFAOYSA-N 1 3 330.480 0.815 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000517540164 438967455 /nfs/dbraw/zinc/96/74/55/438967455.db2.gz BDRDKYHYHYWITN-QGZVFWFLSA-N 1 3 337.512 0.798 20 0 ECADHO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@H]1C ZINC000596688398 438989914 /nfs/dbraw/zinc/98/99/14/438989914.db2.gz BUEQUQONBWEBAG-QLFBSQMISA-N 1 3 342.484 0.709 20 0 ECADHO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@H]1C ZINC000596688398 438989921 /nfs/dbraw/zinc/98/99/21/438989921.db2.gz BUEQUQONBWEBAG-QLFBSQMISA-N 1 3 342.484 0.709 20 0 ECADHO COC(=O)[C@]1(C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596692982 438990244 /nfs/dbraw/zinc/99/02/44/438990244.db2.gz PBXDOGYPVMAFOD-WMLDXEAASA-N 1 3 342.484 0.853 20 0 ECADHO COC(=O)[C@]1(C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596692982 438990246 /nfs/dbraw/zinc/99/02/46/438990246.db2.gz PBXDOGYPVMAFOD-WMLDXEAASA-N 1 3 342.484 0.853 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N1CCNCC1 ZINC000519643399 439049222 /nfs/dbraw/zinc/04/92/22/439049222.db2.gz QWIJUDFWUQDGDN-AEFFLSMTSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N1CCNCC1 ZINC000519643399 439049230 /nfs/dbraw/zinc/04/92/30/439049230.db2.gz QWIJUDFWUQDGDN-AEFFLSMTSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCNCC1 ZINC000519643399 439049236 /nfs/dbraw/zinc/04/92/36/439049236.db2.gz QWIJUDFWUQDGDN-AEFFLSMTSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N1CCNCC1 ZINC000519643419 439050098 /nfs/dbraw/zinc/05/00/98/439050098.db2.gz QWIJUDFWUQDGDN-FUHWJXTLSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N1CCNCC1 ZINC000519643419 439050102 /nfs/dbraw/zinc/05/01/02/439050102.db2.gz QWIJUDFWUQDGDN-FUHWJXTLSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCNCC1 ZINC000519643419 439050106 /nfs/dbraw/zinc/05/01/06/439050106.db2.gz QWIJUDFWUQDGDN-FUHWJXTLSA-N 1 3 330.476 0.918 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)C2)CC1 ZINC000519642047 439050892 /nfs/dbraw/zinc/05/08/92/439050892.db2.gz ICHTUUUKXJNCAM-ZWKOTPCHSA-N 1 3 330.476 0.795 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)C[C@@H]21 ZINC000460038299 439063412 /nfs/dbraw/zinc/06/34/12/439063412.db2.gz VTDHNEUEHCZLKH-IKGGRYGDSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)CC2 ZINC000519364383 439029688 /nfs/dbraw/zinc/02/96/88/439029688.db2.gz SIZQJEBISNKFNY-FZKCQIBNSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000579816242 439037347 /nfs/dbraw/zinc/03/73/47/439037347.db2.gz IFJSZNSVRMWPLM-SOUVJXGZSA-N 1 3 336.480 0.291 20 0 ECADHO CCN1CC[C@H](N(C)C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@@H]1C ZINC000566296406 439038805 /nfs/dbraw/zinc/03/88/05/439038805.db2.gz MJBKHSMAQDQCHO-ZNMIVQPWSA-N 1 3 334.468 0.975 20 0 ECADHO CC(C)CN1CCC(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC000602475585 439094924 /nfs/dbraw/zinc/09/49/24/439094924.db2.gz PJEVLAKPFSTOAT-JOCHJYFZSA-N 1 3 329.510 0.724 20 0 ECADHO NC(=O)NC(=O)CC[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000580552853 439104165 /nfs/dbraw/zinc/10/41/65/439104165.db2.gz CWWRSEUBEVJZOB-UHFFFAOYSA-N 1 3 347.463 0.763 20 0 ECADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000460078291 439077000 /nfs/dbraw/zinc/07/70/00/439077000.db2.gz RICDJBUIRNJNQL-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000460078291 439077003 /nfs/dbraw/zinc/07/70/03/439077003.db2.gz RICDJBUIRNJNQL-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000580302492 439078793 /nfs/dbraw/zinc/07/87/93/439078793.db2.gz VYHQKKVXQUUIMG-HUUCEWRRSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000521585392 439122741 /nfs/dbraw/zinc/12/27/41/439122741.db2.gz IKWARYUNRRJAJZ-CQSZACIVSA-N 1 3 347.467 0.882 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000567262528 439129183 /nfs/dbraw/zinc/12/91/83/439129183.db2.gz SLUSWJKVKBFGNY-IAGOWNOFSA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000567262528 439129184 /nfs/dbraw/zinc/12/91/84/439129184.db2.gz SLUSWJKVKBFGNY-IAGOWNOFSA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000567262528 439129187 /nfs/dbraw/zinc/12/91/87/439129187.db2.gz SLUSWJKVKBFGNY-IAGOWNOFSA-N 1 3 326.529 0.695 20 0 ECADHO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000567385905 439138640 /nfs/dbraw/zinc/13/86/40/439138640.db2.gz WDQDJVKSOBTWLM-DLBZAZTESA-N 1 3 336.432 0.675 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000567608768 439157185 /nfs/dbraw/zinc/15/71/85/439157185.db2.gz MLLOLPGYLRIKDH-DOTOQJQBSA-N 1 3 331.464 0.708 20 0 ECADHO COC(=O)c1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000597941473 439200995 /nfs/dbraw/zinc/20/09/95/439200995.db2.gz AZGDFLIVLOLBLF-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO COC(=O)c1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000597941473 439200998 /nfs/dbraw/zinc/20/09/98/439200998.db2.gz AZGDFLIVLOLBLF-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO COC(=O)C12CC(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)(C1)C2 ZINC000597942785 439201488 /nfs/dbraw/zinc/20/14/88/439201488.db2.gz OPLUNZUPBPHZMV-IGEOTXOUSA-N 1 3 325.453 0.718 20 0 ECADHO COC(=O)C12CC(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)(C1)C2 ZINC000597942785 439201491 /nfs/dbraw/zinc/20/14/91/439201491.db2.gz OPLUNZUPBPHZMV-IGEOTXOUSA-N 1 3 325.453 0.718 20 0 ECADHO CN1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000581932645 439266500 /nfs/dbraw/zinc/26/65/00/439266500.db2.gz OQDJGTCXNCXPLZ-GOSISDBHSA-N 1 3 345.491 0.935 20 0 ECADHO CN(C)CCn1cc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cn1 ZINC000592956155 439318229 /nfs/dbraw/zinc/31/82/29/439318229.db2.gz DXUJJKXIDLPKBV-LBPRGKRZSA-N 1 3 331.424 0.730 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000569323278 439322022 /nfs/dbraw/zinc/32/20/22/439322022.db2.gz DDGLGGQELCSDDV-SFHVURJKSA-N 1 3 345.491 0.808 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000568974385 439292807 /nfs/dbraw/zinc/29/28/07/439292807.db2.gz NGQJJUNPFAAJOT-RBSFLKMASA-N 1 3 329.452 0.928 20 0 ECADHO O=C1NCC[C@]12CCCN2CCCC[N@@H+]1CCC[C@]12CCNC2=O ZINC000569500431 439339767 /nfs/dbraw/zinc/33/97/67/439339767.db2.gz JHQFEFUTCHQTCP-QZTJIDSGSA-N 1 3 334.464 0.476 20 0 ECADHO O=C1NCC[C@]12CCCN2CCCC[N@H+]1CCC[C@]12CCNC2=O ZINC000569500431 439339772 /nfs/dbraw/zinc/33/97/72/439339772.db2.gz JHQFEFUTCHQTCP-QZTJIDSGSA-N 1 3 334.464 0.476 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000569566609 439344060 /nfs/dbraw/zinc/34/40/60/439344060.db2.gz BSIAXHGBNZXOKQ-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO [NH3+][C@H]1CCC[C@H](NCCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000582856658 439390188 /nfs/dbraw/zinc/39/01/88/439390188.db2.gz QRQMOUREARQEQF-HOTGVXAUSA-N 1 3 331.464 0.980 20 0 ECADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000582871548 439390801 /nfs/dbraw/zinc/39/08/01/439390801.db2.gz LOITZQGASYXFGP-MUIFIZLQSA-N 1 3 348.491 0.671 20 0 ECADHO COCCN1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000605885241 439388340 /nfs/dbraw/zinc/38/83/40/439388340.db2.gz ZPLFGFQANJEDBA-HNNXBMFYSA-N 1 3 333.436 0.634 20 0 ECADHO CN(C[C@H](O)C[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)C1CC1 ZINC000570332831 439411739 /nfs/dbraw/zinc/41/17/39/439411739.db2.gz XOPVUXGGDVXKEB-GBESFXJTSA-N 1 3 333.476 0.667 20 0 ECADHO C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@@H](C)C1 ZINC000583142472 439426384 /nfs/dbraw/zinc/42/63/84/439426384.db2.gz YBCKQFGOXZFXCT-QLFBSQMISA-N 1 3 334.468 0.880 20 0 ECADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nnc2n1CCC2 ZINC000607242643 439447184 /nfs/dbraw/zinc/44/71/84/439447184.db2.gz WLCAVTLHQRCZKT-ZDUSSCGKSA-N 1 3 337.472 0.420 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000583705097 439503097 /nfs/dbraw/zinc/50/30/97/439503097.db2.gz CZPQKCZYWAFIMA-XHSDSOJGSA-N 1 3 338.496 0.857 20 0 ECADHO COCCN(C)C[C@H](O)CN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000593969544 439503274 /nfs/dbraw/zinc/50/32/74/439503274.db2.gz DLAZNPCPSYKYAF-HRCADAONSA-N 1 3 331.526 0.437 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000583984688 439535393 /nfs/dbraw/zinc/53/53/93/439535393.db2.gz BNYSSIUQIYDVKI-QBPKDAKJSA-N 1 3 348.491 0.578 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000594435427 439559940 /nfs/dbraw/zinc/55/99/40/439559940.db2.gz CGVJWRAGGSFRDU-QAPCUYQASA-N 1 3 337.464 0.767 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCCC[NH2+]C(C)C)CC1=O ZINC000584294181 439573912 /nfs/dbraw/zinc/57/39/12/439573912.db2.gz HREZRRURESAINR-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594795885 439615232 /nfs/dbraw/zinc/61/52/32/439615232.db2.gz DLIJUWOUZXKKIG-HZPDHXFCSA-N 1 3 334.464 0.187 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594795885 439615237 /nfs/dbraw/zinc/61/52/37/439615237.db2.gz DLIJUWOUZXKKIG-HZPDHXFCSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000574385903 439701500 /nfs/dbraw/zinc/70/15/00/439701500.db2.gz KVMBVFUVGDZLTK-IBEHDNSVSA-N 1 3 334.464 0.186 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000612547070 439726764 /nfs/dbraw/zinc/72/67/64/439726764.db2.gz ZDUXBVPVHOTHSP-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000612547070 439726765 /nfs/dbraw/zinc/72/67/65/439726765.db2.gz ZDUXBVPVHOTHSP-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000612546931 439727482 /nfs/dbraw/zinc/72/74/82/439727482.db2.gz XCGKKGRNGBCDCV-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000612551263 439728846 /nfs/dbraw/zinc/72/88/46/439728846.db2.gz NOGNTYVYRLOTJH-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000612037363 439744805 /nfs/dbraw/zinc/74/48/05/439744805.db2.gz KUPXVYNAQNSKJG-OAGGEKHMSA-N 1 3 338.496 0.679 20 0 ECADHO CC[NH2+]CCNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612915883 439746008 /nfs/dbraw/zinc/74/60/08/439746008.db2.gz UFPOZXMVZMXBTC-AWEZNQCLSA-N 1 3 349.483 0.318 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)n1 ZINC000662748620 439870828 /nfs/dbraw/zinc/87/08/28/439870828.db2.gz CHLFOJJHTNDHHY-UHFFFAOYSA-N 1 3 327.388 0.259 20 0 ECADHO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000662759421 439878651 /nfs/dbraw/zinc/87/86/51/439878651.db2.gz WFDPHYWWUIABPR-OCCSQVGLSA-N 1 3 336.402 0.528 20 0 ECADHO Cc1ccc(S(N)(=O)=O)c(NCC[N@@H+](C)CCCN(C)C)c1 ZINC000631365011 439840953 /nfs/dbraw/zinc/84/09/53/439840953.db2.gz LFEXOUGBJHQZHX-UHFFFAOYSA-N 1 3 328.482 0.938 20 0 ECADHO Cc1ccc(S(N)(=O)=O)c(NCC[N@H+](C)CCCN(C)C)c1 ZINC000631365011 439840957 /nfs/dbraw/zinc/84/09/57/439840957.db2.gz LFEXOUGBJHQZHX-UHFFFAOYSA-N 1 3 328.482 0.938 20 0 ECADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000662684527 439846212 /nfs/dbraw/zinc/84/62/12/439846212.db2.gz DMHHCGRIDYTVII-ZIAGYGMSSA-N 1 3 327.494 0.828 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652459336 439855295 /nfs/dbraw/zinc/85/52/95/439855295.db2.gz IZJCKJXWKVMQFW-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652459336 439855300 /nfs/dbraw/zinc/85/53/00/439855300.db2.gz IZJCKJXWKVMQFW-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[C@@H]1CCN(C2CC2)C1 ZINC000662720188 439858574 /nfs/dbraw/zinc/85/85/74/439858574.db2.gz VCZZSOPJPXAVTH-HUUCEWRRSA-N 1 3 332.452 0.901 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCN(C)C(C)(C)C1 ZINC000641836170 439927545 /nfs/dbraw/zinc/92/75/45/439927545.db2.gz PPLQCMHHWQELJG-HNNXBMFYSA-N 1 3 327.517 0.994 20 0 ECADHO O=C(NC[C@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000662760288 439882342 /nfs/dbraw/zinc/88/23/42/439882342.db2.gz GLZSYRQDCXBBKX-ZBFHGGJFSA-N 1 3 348.491 0.768 20 0 ECADHO C[NH+](C)[C@@H](CNC(=O)NCCN1CC[C@H](O)C1)Cc1ccccc1 ZINC000636472093 439896405 /nfs/dbraw/zinc/89/64/05/439896405.db2.gz VGFXJAKRCARKIQ-SJORKVTESA-N 1 3 334.464 0.525 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000652672530 439911133 /nfs/dbraw/zinc/91/11/33/439911133.db2.gz NPKGGXYHYBACLS-UHFFFAOYSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652673298 439912074 /nfs/dbraw/zinc/91/20/74/439912074.db2.gz KIQMHPSOZDDBDF-GJZGRUSLSA-N 1 3 338.496 0.810 20 0 ECADHO O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858871 439918002 /nfs/dbraw/zinc/91/80/02/439918002.db2.gz JBGXZTUZNDLHDT-IAGOWNOFSA-N 1 3 349.500 0.965 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000626866469 439920674 /nfs/dbraw/zinc/92/06/74/439920674.db2.gz UIQMJAQRSKOUJZ-JKSUJKDBSA-N 1 3 348.447 0.822 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642330565 439971889 /nfs/dbraw/zinc/97/18/89/439971889.db2.gz WWOKYECDXZDMTM-FZKCQIBNSA-N 1 3 338.496 0.727 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626966502 439973346 /nfs/dbraw/zinc/97/33/46/439973346.db2.gz WCPCVPCQCXKXIL-NWDGAFQWSA-N 1 3 340.390 0.733 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)C1CC1 ZINC000636658817 439982028 /nfs/dbraw/zinc/98/20/28/439982028.db2.gz VJJQEZBMXIWKBA-INIZCTEOSA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)C1CC1 ZINC000636658817 439982033 /nfs/dbraw/zinc/98/20/33/439982033.db2.gz VJJQEZBMXIWKBA-INIZCTEOSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000658536775 439984222 /nfs/dbraw/zinc/98/42/22/439984222.db2.gz QSKRGULOJJYNJV-PMPSAXMXSA-N 1 3 338.496 0.491 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000658534609 439984895 /nfs/dbraw/zinc/98/48/95/439984895.db2.gz IDOHBLHYICEPCD-UHFFFAOYSA-N 1 3 348.447 0.586 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723675 439944792 /nfs/dbraw/zinc/94/47/92/439944792.db2.gz IGTPJRAQQQDNEV-CQSZACIVSA-N 1 3 338.496 0.681 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000652720427 439945361 /nfs/dbraw/zinc/94/53/61/439945361.db2.gz DKTIPIPFGMPOPG-UHFFFAOYSA-N 1 3 332.448 0.576 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662927587 439947388 /nfs/dbraw/zinc/94/73/88/439947388.db2.gz AYYIIGVJTCWUHB-UHFFFAOYSA-N 1 3 334.464 0.904 20 0 ECADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC4CC3(CN)C4)C2)CC1 ZINC000662943802 439960988 /nfs/dbraw/zinc/96/09/88/439960988.db2.gz XZEXFRUODMXNNS-DBQDNQAGSA-N 1 3 334.464 0.126 20 0 ECADHO [NH3+]CCCNC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000642253622 439961033 /nfs/dbraw/zinc/96/10/33/439961033.db2.gz BUOIHMRPJAGAAV-INIZCTEOSA-N 1 3 332.448 0.480 20 0 ECADHO C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663019555 439992777 /nfs/dbraw/zinc/99/27/77/439992777.db2.gz TYCJOBYZONRDPL-UONOGXRCSA-N 1 3 334.468 0.653 20 0 ECADHO N[C@@H](C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CCC1 ZINC000663017991 439992976 /nfs/dbraw/zinc/99/29/76/439992976.db2.gz UDKGMZCBJTYRCK-RHSMWYFYSA-N 1 3 346.479 0.653 20 0 ECADHO O=C([C@@H]1CNCCO1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094195 439998815 /nfs/dbraw/zinc/99/88/15/439998815.db2.gz ZKDJSKSZWGPPKM-KRWDZBQOSA-N 1 3 347.463 0.571 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000627160307 440027652 /nfs/dbraw/zinc/02/76/52/440027652.db2.gz JMILJWNOIPWHBQ-LSDHHAIUSA-N 1 3 339.484 0.418 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000647285731 440033837 /nfs/dbraw/zinc/03/38/37/440033837.db2.gz OYYKCZPAAFNZCQ-CQSZACIVSA-N 1 3 343.497 0.482 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)C[NH2+]1 ZINC000627007495 439988878 /nfs/dbraw/zinc/98/88/78/439988878.db2.gz ZSEUNQDVMXENIL-HIFRSBDPSA-N 1 3 335.452 0.962 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000642909496 440060117 /nfs/dbraw/zinc/06/01/17/440060117.db2.gz OCBQJTJWQILPOF-OAHLLOKOSA-N 1 3 334.464 0.473 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@@H](C)O1 ZINC000653111085 440068880 /nfs/dbraw/zinc/06/88/80/440068880.db2.gz CQJKUBHPXZMQIL-AIANPOQGSA-N 1 3 325.453 0.228 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000658695401 440069324 /nfs/dbraw/zinc/06/93/24/440069324.db2.gz KLQQKKFQFQBZMY-INIZCTEOSA-N 1 3 336.480 0.197 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000642960180 440070774 /nfs/dbraw/zinc/07/07/74/440070774.db2.gz LBPKOAHVJWXGAG-IAGOWNOFSA-N 1 3 344.459 0.573 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000642796476 440044854 /nfs/dbraw/zinc/04/48/54/440044854.db2.gz BIBRTZXHPYTTRV-KGLIPLIRSA-N 1 3 332.448 0.792 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642904940 440054314 /nfs/dbraw/zinc/05/43/14/440054314.db2.gz CAUPZBPHWCJQBD-AWEZNQCLSA-N 1 3 336.436 0.428 20 0 ECADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642908585 440057289 /nfs/dbraw/zinc/05/72/89/440057289.db2.gz WYLIYEATSXKWMO-ZDUSSCGKSA-N 1 3 340.493 0.882 20 0 ECADHO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494618 440187306 /nfs/dbraw/zinc/18/73/06/440187306.db2.gz OAPBZPYHJVOCSK-YESZJQIVSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C[C@H]1C[NH3+] ZINC000643498915 440190706 /nfs/dbraw/zinc/19/07/06/440190706.db2.gz VUKVICBIJNEZSK-OAGGEKHMSA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653388528 440148441 /nfs/dbraw/zinc/14/84/41/440148441.db2.gz DFQMMNCGUKFTAG-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653388528 440148444 /nfs/dbraw/zinc/14/84/44/440148444.db2.gz DFQMMNCGUKFTAG-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637069804 440152412 /nfs/dbraw/zinc/15/24/12/440152412.db2.gz UQVLQDTZEMQQAD-SFHVURJKSA-N 1 3 345.491 0.808 20 0 ECADHO C[NH+]1CCC(O)(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659036741 440211726 /nfs/dbraw/zinc/21/17/26/440211726.db2.gz SWYJMMGJQJDUCQ-INIZCTEOSA-N 1 3 348.447 0.926 20 0 ECADHO CCCN(C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2)[C@@H]1CC[NH2+]C1 ZINC000643591276 440215697 /nfs/dbraw/zinc/21/56/97/440215697.db2.gz LIBZWVZOHICCAS-CRAIPNDOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000643594599 440219947 /nfs/dbraw/zinc/21/99/47/440219947.db2.gz WSZUZVQZGBXEHS-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000637266441 440222559 /nfs/dbraw/zinc/22/25/59/440222559.db2.gz XTAFOMPJORSCKC-CAOSSQGBSA-N 1 3 326.485 0.813 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000637266441 440222565 /nfs/dbraw/zinc/22/25/65/440222565.db2.gz XTAFOMPJORSCKC-CAOSSQGBSA-N 1 3 326.485 0.813 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643531952 440203490 /nfs/dbraw/zinc/20/34/90/440203490.db2.gz FEWFATMDDVPRGP-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC(=O)N1CCN(C(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647976723 440204595 /nfs/dbraw/zinc/20/45/95/440204595.db2.gz SPMYHHRJZQZQFB-SJORKVTESA-N 1 3 336.480 0.389 20 0 ECADHO C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H](CN)C(F)(F)F)CCO1 ZINC000659024827 440206724 /nfs/dbraw/zinc/20/67/24/440206724.db2.gz KTCRJTCOUDCGBD-GHMZBOCLSA-N 1 3 326.363 0.628 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643545444 440207659 /nfs/dbraw/zinc/20/76/59/440207659.db2.gz UUZOGIYVPAXPCZ-XUWVNRHRSA-N 1 3 334.464 0.282 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1OCC2 ZINC000627513879 440247894 /nfs/dbraw/zinc/24/78/94/440247894.db2.gz ZHLKKCZSLSCPHY-UHFFFAOYSA-N 1 3 348.447 0.512 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000659102798 440249974 /nfs/dbraw/zinc/24/99/74/440249974.db2.gz IPAISZRZLREPPC-ZIAGYGMSSA-N 1 3 345.447 0.437 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000664311221 440286755 /nfs/dbraw/zinc/28/67/55/440286755.db2.gz OQMIEZBNZMVVOC-MRXNPFEDSA-N 1 3 345.557 0.606 20 0 ECADHO CC(C)(CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[NH+]1CCCCC1 ZINC000659427119 440322191 /nfs/dbraw/zinc/32/21/91/440322191.db2.gz KMWPJMIZVHARSR-UHFFFAOYSA-N 1 3 336.440 0.705 20 0 ECADHO CN(C)CCOCCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000664732316 440366112 /nfs/dbraw/zinc/36/61/12/440366112.db2.gz UZZQYBWUVNMQAV-MRXNPFEDSA-N 1 3 326.485 0.986 20 0 ECADHO CN(C)CCOCCNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664732316 440366118 /nfs/dbraw/zinc/36/61/18/440366118.db2.gz UZZQYBWUVNMQAV-MRXNPFEDSA-N 1 3 326.485 0.986 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659574475 440366926 /nfs/dbraw/zinc/36/69/26/440366926.db2.gz VNJVMISTUHPUQZ-AWEZNQCLSA-N 1 3 337.468 0.206 20 0 ECADHO CN1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@H]1c1ccccc1 ZINC000664541715 440330131 /nfs/dbraw/zinc/33/01/31/440330131.db2.gz SBWJZVKIUWFGNU-LUKYLMHMSA-N 1 3 332.448 0.748 20 0 ECADHO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664557631 440330887 /nfs/dbraw/zinc/33/08/87/440330887.db2.gz RSPBYJZCIGZWHB-RRFJBIMHSA-N 1 3 341.500 0.472 20 0 ECADHO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664557631 440330893 /nfs/dbraw/zinc/33/08/93/440330893.db2.gz RSPBYJZCIGZWHB-RRFJBIMHSA-N 1 3 341.500 0.472 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000659689112 440423521 /nfs/dbraw/zinc/42/35/21/440423521.db2.gz SLPWLLUHXDQNHE-NLGTXKQRSA-N 1 3 348.491 0.849 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000659689112 440423525 /nfs/dbraw/zinc/42/35/25/440423525.db2.gz SLPWLLUHXDQNHE-NLGTXKQRSA-N 1 3 348.491 0.849 20 0 ECADHO COc1ccccc1[C@H](N)CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649268886 440426755 /nfs/dbraw/zinc/42/67/55/440426755.db2.gz FZRJQOVCNWGHIG-DZGCQCFKSA-N 1 3 348.447 0.221 20 0 ECADHO CCCN1CC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000659613307 440376386 /nfs/dbraw/zinc/37/63/86/440376386.db2.gz ZQLBIJGEZWEULR-CABCVRRESA-N 1 3 339.484 0.500 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629865 440382233 /nfs/dbraw/zinc/38/22/33/440382233.db2.gz AYMZPOBEKDJRED-UHFFFAOYSA-N 1 3 336.440 0.658 20 0 ECADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630245 440382673 /nfs/dbraw/zinc/38/26/73/440382673.db2.gz MNWDMWDZRHXDDG-AAEUAGOBSA-N 1 3 334.424 0.409 20 0 ECADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632944 440386877 /nfs/dbraw/zinc/38/68/77/440386877.db2.gz MEYWBOSBRJDESL-UHFFFAOYSA-N 1 3 336.440 0.657 20 0 ECADHO CC(C)(C)[N@H+]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632944 440386879 /nfs/dbraw/zinc/38/68/79/440386879.db2.gz MEYWBOSBRJDESL-UHFFFAOYSA-N 1 3 336.440 0.657 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000659636113 440387261 /nfs/dbraw/zinc/38/72/61/440387261.db2.gz JSRGCIRLPSEFIP-ZBFHGGJFSA-N 1 3 349.479 0.183 20 0 ECADHO CCc1nc(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n[nH]1 ZINC000664973518 440397424 /nfs/dbraw/zinc/39/74/24/440397424.db2.gz OIWWABCWDFDVHN-LBPRGKRZSA-N 1 3 325.461 0.438 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[NH2+]1 ZINC000633010128 440405679 /nfs/dbraw/zinc/40/56/79/440405679.db2.gz HERWQWHTRRBUOM-OLZOCXBDSA-N 1 3 348.451 0.345 20 0 ECADHO CN1CCC(n2cc(NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)cn2)CC1 ZINC000633009190 440406108 /nfs/dbraw/zinc/40/61/08/440406108.db2.gz QNAJIPZLLGRFJM-CYBMUJFWSA-N 1 3 348.451 0.347 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)N(C)Cc1ccccc1 ZINC000659679249 440414237 /nfs/dbraw/zinc/41/42/37/440414237.db2.gz SYUWDFCTQXRTGV-ASFAAARLSA-N 1 3 344.459 0.573 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000659727171 440465229 /nfs/dbraw/zinc/46/52/29/440465229.db2.gz HUUQRYXBLIAFGC-XQLPTFJDSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659729540 440467140 /nfs/dbraw/zinc/46/71/40/440467140.db2.gz OYDRTHATQYHFME-AWEZNQCLSA-N 1 3 347.463 0.215 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NC[C@@H]([NH3+])C3CC3)ccc2[nH]c1=O ZINC000638151770 440467426 /nfs/dbraw/zinc/46/74/26/440467426.db2.gz AFGKQRLBNGGFPM-CYBMUJFWSA-N 1 3 331.420 0.771 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000659743170 440480291 /nfs/dbraw/zinc/48/02/91/440480291.db2.gz XWIDJSWORJIQSD-HRCADAONSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC[C@@H]1[NH3+] ZINC000659738106 440475607 /nfs/dbraw/zinc/47/56/07/440475607.db2.gz ZYKOCCHEINTGCD-FMKPAKJESA-N 1 3 336.480 0.705 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000659742002 440477802 /nfs/dbraw/zinc/47/78/02/440477802.db2.gz SCXUEZOAMACFOF-HUUCEWRRSA-N 1 3 326.485 0.713 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638083655 440429779 /nfs/dbraw/zinc/42/97/79/440429779.db2.gz HIHYAIVYIMBUAS-GOSISDBHSA-N 1 3 335.448 0.999 20 0 ECADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000633075868 440430825 /nfs/dbraw/zinc/43/08/25/440430825.db2.gz LPJFSMYFBMRBSU-OAHLLOKOSA-N 1 3 345.447 0.460 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C[C@H]1C[NH3+] ZINC000633081510 440432633 /nfs/dbraw/zinc/43/26/33/440432633.db2.gz FUQCIACEYDMDBS-OAGGEKHMSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(O)CCOC1 ZINC000665225857 440437084 /nfs/dbraw/zinc/43/70/84/440437084.db2.gz XBMCVSXKDIGOLB-HOCLYGCPSA-N 1 3 330.473 0.099 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(O)CCOC1 ZINC000665225857 440437089 /nfs/dbraw/zinc/43/70/89/440437089.db2.gz XBMCVSXKDIGOLB-HOCLYGCPSA-N 1 3 330.473 0.099 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000659724237 440460513 /nfs/dbraw/zinc/46/05/13/440460513.db2.gz QUVUBLPUJCTOEP-XJKSGUPXSA-N 1 3 332.448 0.923 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC[NH2+]1 ZINC000659723933 440461081 /nfs/dbraw/zinc/46/10/81/440461081.db2.gz UPLVMIIQAZQDAE-QLFBSQMISA-N 1 3 336.480 0.766 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649488767 440502904 /nfs/dbraw/zinc/50/29/04/440502904.db2.gz YNBZJVMLIYHHIB-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000665762011 440525315 /nfs/dbraw/zinc/52/53/15/440525315.db2.gz XJABJQLFWXIZNQ-ZNMIVQPWSA-N 1 3 330.473 0.050 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000665762011 440525319 /nfs/dbraw/zinc/52/53/19/440525319.db2.gz XJABJQLFWXIZNQ-ZNMIVQPWSA-N 1 3 330.473 0.050 20 0 ECADHO CON1CCC(N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665764027 440529356 /nfs/dbraw/zinc/52/93/56/440529356.db2.gz RSNLHSJQDSZAKM-HNNXBMFYSA-N 1 3 343.516 0.926 20 0 ECADHO CON1CCC(N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665764027 440529362 /nfs/dbraw/zinc/52/93/62/440529362.db2.gz RSNLHSJQDSZAKM-HNNXBMFYSA-N 1 3 343.516 0.926 20 0 ECADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000638226321 440480973 /nfs/dbraw/zinc/48/09/73/440480973.db2.gz OFQGQKFYAZWOEJ-HUUCEWRRSA-N 1 3 337.468 0.063 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000659745117 440483285 /nfs/dbraw/zinc/48/32/85/440483285.db2.gz WSOSWNLJUIQDKN-DZGCQCFKSA-N 1 3 326.485 0.665 20 0 ECADHO COC[C@]1(CNC(=O)[C@H](N)CN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000638231115 440483543 /nfs/dbraw/zinc/48/35/43/440483543.db2.gz NKMYWAIOEIUVSE-SJLPKXTDSA-N 1 3 334.464 0.331 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000638526224 440562101 /nfs/dbraw/zinc/56/21/01/440562101.db2.gz IDMDULBXKAWXGY-KSSFIOAISA-N 1 3 346.431 0.153 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655447332 440565246 /nfs/dbraw/zinc/56/52/46/440565246.db2.gz WRFOJTFXIPOHAQ-YJBOKZPZSA-N 1 3 334.464 0.143 20 0 ECADHO [NH3+][C@H]1CC=C(C(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439099 440539078 /nfs/dbraw/zinc/53/90/78/440539078.db2.gz HBXFRZGIPVBFLF-GJZGRUSLSA-N 1 3 344.463 0.573 20 0 ECADHO CN(C)CCn1nccc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000650231165 440608649 /nfs/dbraw/zinc/60/86/49/440608649.db2.gz GEEFFXYDKWJFQH-UHFFFAOYSA-N 1 3 334.428 0.847 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000638725642 440609312 /nfs/dbraw/zinc/60/93/12/440609312.db2.gz CQRGEWXYMMDLKY-OAHLLOKOSA-N 1 3 326.485 0.369 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000655974832 440663701 /nfs/dbraw/zinc/66/37/01/440663701.db2.gz RELOXUWZJQSASB-GVDBMIGSSA-N 1 3 335.496 0.692 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000655974830 440665048 /nfs/dbraw/zinc/66/50/48/440665048.db2.gz RELOXUWZJQSASB-BRWVUGGUSA-N 1 3 335.496 0.692 20 0 ECADHO CN(CC(=O)N(C)C1CCCCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666620249 440666311 /nfs/dbraw/zinc/66/63/11/440666311.db2.gz UJGBNWJVHQCYMD-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000650724786 440675071 /nfs/dbraw/zinc/67/50/71/440675071.db2.gz MMOAVCZUMIUDLZ-DZGCQCFKSA-N 1 3 332.448 0.550 20 0 ECADHO COCCC[NH+]1CCC(NC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000644540804 440639397 /nfs/dbraw/zinc/63/93/97/440639397.db2.gz CGATZDCVQMDVPJ-BQFCYCMXSA-N 1 3 343.512 0.547 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911754 440640647 /nfs/dbraw/zinc/64/06/47/440640647.db2.gz MZPCZFJNPBLHFN-GFCCVEGCSA-N 1 3 339.406 0.593 20 0 ECADHO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561937 440646222 /nfs/dbraw/zinc/64/62/22/440646222.db2.gz JQJZTBYTTAAJOM-ZOBUZTSGSA-N 1 3 329.485 0.157 20 0 ECADHO CO[C@H](CNCC(=O)NCC[NH+]1CCCCCC1)[C@H]1CCOC1 ZINC000639204946 440691404 /nfs/dbraw/zinc/69/14/04/440691404.db2.gz GHTDNGIVUZACSL-JKSUJKDBSA-N 1 3 327.469 0.620 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650826222 440691594 /nfs/dbraw/zinc/69/15/94/440691594.db2.gz LOUSSDLGKQJCNE-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650826222 440691600 /nfs/dbraw/zinc/69/16/00/440691600.db2.gz LOUSSDLGKQJCNE-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634703733 440692734 /nfs/dbraw/zinc/69/27/34/440692734.db2.gz AIFZHJRBOCRIGR-AEFFLSMTSA-N 1 3 341.496 0.431 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656025625 440696836 /nfs/dbraw/zinc/69/68/36/440696836.db2.gz OSCSHSKDFHAWMB-CVEARBPZSA-N 1 3 334.464 0.546 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656027169 440697367 /nfs/dbraw/zinc/69/73/67/440697367.db2.gz BSKHOECXCTUJRJ-ARFHVFGLSA-N 1 3 336.480 0.578 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028035 440697494 /nfs/dbraw/zinc/69/74/94/440697494.db2.gz HNJKDBLDLBGAGS-HZPDHXFCSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656024481 440693846 /nfs/dbraw/zinc/69/38/46/440693846.db2.gz QILATLQBFRLSJV-BPKGMFCQSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)C1CC[NH+](C)CC1 ZINC000650895400 440705281 /nfs/dbraw/zinc/70/52/81/440705281.db2.gz ZHUUSHSQHFOWLO-AWEZNQCLSA-N 1 3 339.484 0.132 20 0 ECADHO C[C@@H](C(=O)NC[C@@H]1CCCN1C)[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000629453922 440705502 /nfs/dbraw/zinc/70/55/02/440705502.db2.gz XAWLDXUIJVRRCC-WCVJEAGWSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C(=O)NC[C@@H]1CCCN1C)[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000629453922 440705510 /nfs/dbraw/zinc/70/55/10/440705510.db2.gz XAWLDXUIJVRRCC-WCVJEAGWSA-N 1 3 338.496 0.679 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000639506077 440730615 /nfs/dbraw/zinc/73/06/15/440730615.db2.gz FWZJGCJSELXIQR-IRXDYDNUSA-N 1 3 344.496 0.712 20 0 ECADHO CNS(=O)(=O)CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635004104 440731138 /nfs/dbraw/zinc/73/11/38/440731138.db2.gz CKUKFAWFPPRBHI-HOCLYGCPSA-N 1 3 339.461 0.771 20 0 ECADHO CC(C)[C@@H](CNc1nc(N)nc2c1CCCC2)[NH+]1CCN(C)CC1 ZINC000645112930 440749591 /nfs/dbraw/zinc/74/95/91/440749591.db2.gz VKIGBKKYBNJSPR-MRXNPFEDSA-N 1 3 332.496 1.043 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656299394 440754516 /nfs/dbraw/zinc/75/45/16/440754516.db2.gz RPTICNCEDHQJIG-VQHPVUNQSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656299394 440754521 /nfs/dbraw/zinc/75/45/21/440754521.db2.gz RPTICNCEDHQJIG-VQHPVUNQSA-N 1 3 348.491 0.863 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656309300 440759789 /nfs/dbraw/zinc/75/97/89/440759789.db2.gz NWKADGJBJCQNMZ-JYJNAYRXSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656309300 440759795 /nfs/dbraw/zinc/75/97/95/440759795.db2.gz NWKADGJBJCQNMZ-JYJNAYRXSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656333415 440771584 /nfs/dbraw/zinc/77/15/84/440771584.db2.gz IABJRVFLRNDBEU-BSWAZPDLSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656333415 440771587 /nfs/dbraw/zinc/77/15/87/440771587.db2.gz IABJRVFLRNDBEU-BSWAZPDLSA-N 1 3 348.491 0.718 20 0 ECADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656353746 440783760 /nfs/dbraw/zinc/78/37/60/440783760.db2.gz CDWAKILZKHEETA-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656353746 440783764 /nfs/dbraw/zinc/78/37/64/440783764.db2.gz CDWAKILZKHEETA-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656358556 440789194 /nfs/dbraw/zinc/78/91/94/440789194.db2.gz LGCKDJXJBQWDSY-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CNC(=O)c1cc[nH]c1CC(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000635254781 440797014 /nfs/dbraw/zinc/79/70/14/440797014.db2.gz HOIHKDZPTXCAAL-CHWSQXEVSA-N 1 3 337.468 0.303 20 0 ECADHO C[C@H](CNC(=O)Cc1[nH]ccc1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000635254781 440797021 /nfs/dbraw/zinc/79/70/21/440797021.db2.gz HOIHKDZPTXCAAL-CHWSQXEVSA-N 1 3 337.468 0.303 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000635349443 440827317 /nfs/dbraw/zinc/82/73/17/440827317.db2.gz WDBQDTYGBNDDIO-HOTGVXAUSA-N 1 3 327.469 0.714 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000635349443 440827321 /nfs/dbraw/zinc/82/73/21/440827321.db2.gz WDBQDTYGBNDDIO-HOTGVXAUSA-N 1 3 327.469 0.714 20 0 ECADHO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@@H](N2CCCC2)C1 ZINC000645635267 440876099 /nfs/dbraw/zinc/87/60/99/440876099.db2.gz MQKXUIKNIKJGQQ-HUUCEWRRSA-N 1 3 332.452 0.731 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000661686815 440902650 /nfs/dbraw/zinc/90/26/50/440902650.db2.gz JJYGWMXATUKLIY-HOTGVXAUSA-N 1 3 338.496 0.917 20 0 ECADHO Cc1c(C(=O)N[C@H]2CCN(CC3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000645953176 440955454 /nfs/dbraw/zinc/95/54/54/440955454.db2.gz GQMZIPGFOYCUQH-AWEZNQCLSA-N 1 3 332.452 0.725 20 0 ECADHO CCN1CCC(NC(=O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000662157899 440980168 /nfs/dbraw/zinc/98/01/68/440980168.db2.gz SZCGDDKYNGQGEU-KRWDZBQOSA-N 1 3 338.496 0.118 20 0 ECADHO CCN1CCC(NC(=O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000662157899 440980172 /nfs/dbraw/zinc/98/01/72/440980172.db2.gz SZCGDDKYNGQGEU-KRWDZBQOSA-N 1 3 338.496 0.118 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC2CCN(CCOC)CC2)C[C@H]1C[NH3+] ZINC000652140691 441017779 /nfs/dbraw/zinc/01/77/79/441017779.db2.gz ZNGDMWNOCOGKNY-UKRRQHHQSA-N 1 3 328.457 0.102 20 0 ECADHO O=C(NCCCNCc1cccnc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662397881 441027753 /nfs/dbraw/zinc/02/77/53/441027753.db2.gz OCTQXNHQCCEOPH-AWEZNQCLSA-N 1 3 328.420 0.791 20 0 ECADHO O=C(NCCCNCc1cccnc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662397882 441028473 /nfs/dbraw/zinc/02/84/73/441028473.db2.gz OCTQXNHQCCEOPH-CQSZACIVSA-N 1 3 328.420 0.791 20 0 ECADHO O=C(Cn1cc(C[C@H]2CCC[NH2+]C2)nn1)NC1CCN(C2CC2)CC1 ZINC000641005275 441044378 /nfs/dbraw/zinc/04/43/78/441044378.db2.gz WFRQNKUKRUNRRT-CQSZACIVSA-N 1 3 346.479 0.563 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000652291782 441047546 /nfs/dbraw/zinc/04/75/46/441047546.db2.gz HRCYKGXZVAPEEU-DLBZAZTESA-N 1 3 342.447 0.776 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339962455 321006241 /nfs/dbraw/zinc/00/62/41/321006241.db2.gz DAEQJVYNEGSIOW-INIZCTEOSA-N 1 3 336.480 0.720 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340204174 321021314 /nfs/dbraw/zinc/02/13/14/321021314.db2.gz XPTBYVPAHQPVDJ-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000340213657 321022895 /nfs/dbraw/zinc/02/28/95/321022895.db2.gz CUWUFFDIIZKQDL-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340213618 321023065 /nfs/dbraw/zinc/02/30/65/321023065.db2.gz CBTTYEQOOMZBHX-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340213618 321023066 /nfs/dbraw/zinc/02/30/66/321023066.db2.gz CBTTYEQOOMZBHX-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000341242235 321052645 /nfs/dbraw/zinc/05/26/45/321052645.db2.gz ZWBHOXLVEUTQCG-MRXNPFEDSA-N 1 3 343.516 0.090 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000343221244 321128996 /nfs/dbraw/zinc/12/89/96/321128996.db2.gz UFHUNKCJQGCIKV-CABCVRRESA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000347976488 321261806 /nfs/dbraw/zinc/26/18/06/321261806.db2.gz MUOPSSYNKCMNKO-OWCLPIDISA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[N@@H+]1C ZINC000347980573 321262298 /nfs/dbraw/zinc/26/22/98/321262298.db2.gz RUBMLJOSEPWFMP-RBSFLKMASA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[N@H+]1C ZINC000347980573 321262299 /nfs/dbraw/zinc/26/22/99/321262299.db2.gz RUBMLJOSEPWFMP-RBSFLKMASA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000347979463 321262607 /nfs/dbraw/zinc/26/26/07/321262607.db2.gz QZXGZSWVYKCDRD-ARFHVFGLSA-N 1 3 338.496 0.966 20 0 ECADHO O[C@H](CN1CCOCC1)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348324238 321272755 /nfs/dbraw/zinc/27/27/55/321272755.db2.gz RSQJPZRVTMUTDK-HSALFYBXSA-N 1 3 345.487 0.743 20 0 ECADHO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348324238 321272757 /nfs/dbraw/zinc/27/27/57/321272757.db2.gz RSQJPZRVTMUTDK-HSALFYBXSA-N 1 3 345.487 0.743 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[NH+](CC)CC)CC1 ZINC000351893967 321339579 /nfs/dbraw/zinc/33/95/79/321339579.db2.gz WBLPBMWXIBGLNN-UHFFFAOYSA-N 1 3 341.500 0.524 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000352092496 321348218 /nfs/dbraw/zinc/34/82/18/321348218.db2.gz UDXCRMKEVWXLHC-ZBFHGGJFSA-N 1 3 326.485 0.857 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000352092496 321348219 /nfs/dbraw/zinc/34/82/19/321348219.db2.gz UDXCRMKEVWXLHC-ZBFHGGJFSA-N 1 3 326.485 0.857 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[N@H+](C)C1CC1 ZINC000352749000 321370419 /nfs/dbraw/zinc/37/04/19/321370419.db2.gz OSZVRJBFSRRYTB-HNNXBMFYSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000352749000 321370421 /nfs/dbraw/zinc/37/04/21/321370421.db2.gz OSZVRJBFSRRYTB-HNNXBMFYSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NCCC2CC[NH+](C)CC2)CCC1 ZINC000355867424 321514466 /nfs/dbraw/zinc/51/44/66/321514466.db2.gz VJUGQUQJLFRLND-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=O)N[C@H](C)CN(C)C)CC1 ZINC000358536089 321565245 /nfs/dbraw/zinc/56/52/45/321565245.db2.gz YBCYBQAUHOOZDX-OAHLLOKOSA-N 1 3 344.500 0.705 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000531811329 322045663 /nfs/dbraw/zinc/04/56/63/322045663.db2.gz KKOUMGGPLZISSO-UAGQMJEPSA-N 1 3 338.496 0.861 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000557691898 322208883 /nfs/dbraw/zinc/20/88/83/322208883.db2.gz DOVHLLTYYORESF-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO O=C(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000559483833 322220866 /nfs/dbraw/zinc/22/08/66/322220866.db2.gz SFUODTFFZVWADN-HZPDHXFCSA-N 1 3 334.464 0.380 20 0 ECADHO CN1CCC[C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000561152525 322254665 /nfs/dbraw/zinc/25/46/65/322254665.db2.gz IRNIIYIVMCRDHQ-RYUDHWBXSA-N 1 3 337.390 0.216 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000561198674 322255880 /nfs/dbraw/zinc/25/58/80/322255880.db2.gz GGJKGYARHBFTMP-NJAFHUGGSA-N 1 3 345.491 0.934 20 0 ECADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCN2CCC1CC2 ZINC000561212204 322256434 /nfs/dbraw/zinc/25/64/34/322256434.db2.gz KFHZUVMYRARSSX-ZDUSSCGKSA-N 1 3 349.401 0.312 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000561227010 322257025 /nfs/dbraw/zinc/25/70/25/322257025.db2.gz WBQHLKJLSHVNER-OAHLLOKOSA-N 1 3 342.484 0.108 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000562165695 322266443 /nfs/dbraw/zinc/26/64/43/322266443.db2.gz PILMAEPAVULJEK-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000563093930 322297383 /nfs/dbraw/zinc/29/73/83/322297383.db2.gz XQQQXZHYJOVZNM-KGLIPLIRSA-N 1 3 349.479 0.903 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000563139899 322300394 /nfs/dbraw/zinc/30/03/94/322300394.db2.gz LBHIZIMEOCYFFJ-SJORKVTESA-N 1 3 348.491 0.770 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])o1 ZINC000563624174 322334767 /nfs/dbraw/zinc/33/47/67/322334767.db2.gz LVEMTAPNBNVGPH-OLZOCXBDSA-N 1 3 338.452 0.720 20 0 ECADHO CN1CCN(C[C@H](O)CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000563882274 322350191 /nfs/dbraw/zinc/35/01/91/322350191.db2.gz WPKNWCODZFEPJR-RTBURBONSA-N 1 3 348.491 0.273 20 0 ECADHO CN1CCN(C[C@H](O)CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000563882274 322350194 /nfs/dbraw/zinc/35/01/94/322350194.db2.gz WPKNWCODZFEPJR-RTBURBONSA-N 1 3 348.491 0.273 20 0 ECADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000564328227 322369338 /nfs/dbraw/zinc/36/93/38/322369338.db2.gz LQNXBVJRQRGNTB-DLBZAZTESA-N 1 3 332.448 0.788 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)C(F)F)CC2)CC1 ZINC000564467019 322376458 /nfs/dbraw/zinc/37/64/58/322376458.db2.gz YBQSZPWRPHQMFA-AWEZNQCLSA-N 1 3 333.423 0.925 20 0 ECADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000564586143 322381955 /nfs/dbraw/zinc/38/19/55/322381955.db2.gz PCXRAQIWXIDPCW-BBRMVZONSA-N 1 3 345.447 0.201 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000564739554 322390815 /nfs/dbraw/zinc/39/08/15/322390815.db2.gz JPDMMIICVYSUPO-UAGQMJEPSA-N 1 3 344.459 0.634 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000565249410 322445987 /nfs/dbraw/zinc/44/59/87/322445987.db2.gz FUDVUMFLXUZMOU-INIZCTEOSA-N 1 3 325.501 0.701 20 0 ECADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CNCCO1 ZINC000565294323 322448601 /nfs/dbraw/zinc/44/86/01/322448601.db2.gz JSPXJDFJAXSVBG-MRXNPFEDSA-N 1 3 333.436 0.586 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC[C@@H](O)CN2CCOCC2)c1 ZINC000565593499 322465436 /nfs/dbraw/zinc/46/54/36/322465436.db2.gz HLBHFXPALBXGJC-QGZVFWFLSA-N 1 3 337.464 0.410 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000570159905 322677927 /nfs/dbraw/zinc/67/79/27/322677927.db2.gz QTSXTKAUWCPVQC-VGWMRTNUSA-N 1 3 325.501 0.780 20 0 ECADHO CCN(C)CCNC(=O)c1cc(C(=O)NCC[N@H+](C)CC)ccn1 ZINC000174834120 527799421 /nfs/dbraw/zinc/79/94/21/527799421.db2.gz JDDRVVURFDEDTP-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO CCN(C)CCNC(=O)c1cc(C(=O)NCC[N@@H+](C)CC)ccn1 ZINC000174834120 527799425 /nfs/dbraw/zinc/79/94/25/527799425.db2.gz JDDRVVURFDEDTP-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO CCN(C)CCNC(=O)c1ccnc(C(=O)NCC[N@H+](C)CC)c1 ZINC000174834120 527799430 /nfs/dbraw/zinc/79/94/30/527799430.db2.gz JDDRVVURFDEDTP-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO CCN(C)CCNC(=O)c1ccnc(C(=O)NCC[N@@H+](C)CC)c1 ZINC000174834120 527799433 /nfs/dbraw/zinc/79/94/33/527799433.db2.gz JDDRVVURFDEDTP-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000262631432 535916494 /nfs/dbraw/zinc/91/64/94/535916494.db2.gz FITLMWSLYBKWJF-INIZCTEOSA-N 1 3 346.475 0.885 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000342975706 546086710 /nfs/dbraw/zinc/08/67/10/546086710.db2.gz JHXVUYJZZWAACG-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000343017295 546094006 /nfs/dbraw/zinc/09/40/06/546094006.db2.gz SMTMTDXYAVNPCA-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCCC[C@H](N3CCCC3)C1)C2 ZINC000622027034 546609249 /nfs/dbraw/zinc/60/92/49/546609249.db2.gz WUXIZCPHFRCTDT-BXWFABGCSA-N 1 3 348.491 0.803 20 0 ECADHO CC(C)Oc1ccc([C@@H](CNc2nc(N)nc(N)n2)[NH+](C)C)cc1 ZINC000624222776 546892176 /nfs/dbraw/zinc/89/21/76/546892176.db2.gz FLQSSFHNLUPQOI-CYBMUJFWSA-N 1 3 331.424 0.621 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000625460537 547107106 /nfs/dbraw/zinc/10/71/06/547107106.db2.gz PLRSLPPTNSHFMK-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667725320 547550859 /nfs/dbraw/zinc/55/08/59/547550859.db2.gz CPGFYAQBGPSPST-MRXNPFEDSA-N 1 3 345.447 0.916 20 0 ECADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cnc2c(c1)CNCC2 ZINC000667800296 547558489 /nfs/dbraw/zinc/55/84/89/547558489.db2.gz COJYTRYZLVHJCC-HNNXBMFYSA-N 1 3 333.436 0.696 20 0 ECADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1cnc2c(c1)CNCC2 ZINC000667800296 547558491 /nfs/dbraw/zinc/55/84/91/547558491.db2.gz COJYTRYZLVHJCC-HNNXBMFYSA-N 1 3 333.436 0.696 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000668692432 547727647 /nfs/dbraw/zinc/72/76/47/547727647.db2.gz FDKQWSOVOYKVMZ-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000668692432 547727652 /nfs/dbraw/zinc/72/76/52/547727652.db2.gz FDKQWSOVOYKVMZ-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@@H](CN)C1 ZINC000668809866 547755491 /nfs/dbraw/zinc/75/54/91/547755491.db2.gz LSVCPWOJGXRPOI-KRWDZBQOSA-N 1 3 333.480 0.793 20 0 ECADHO CN1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H](CN)C1 ZINC000668809866 547755492 /nfs/dbraw/zinc/75/54/92/547755492.db2.gz LSVCPWOJGXRPOI-KRWDZBQOSA-N 1 3 333.480 0.793 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCN(CC)C1 ZINC000668824015 547758761 /nfs/dbraw/zinc/75/87/61/547758761.db2.gz DNXDWYYHKBRGBO-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCN(CC)C1 ZINC000668824015 547758765 /nfs/dbraw/zinc/75/87/65/547758765.db2.gz DNXDWYYHKBRGBO-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000670783051 548047913 /nfs/dbraw/zinc/04/79/13/548047913.db2.gz IJYUQQSGYUJJSJ-UHFFFAOYSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CC[C@H]([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)[C@H]2CCC[C@H]21 ZINC000671747820 548225695 /nfs/dbraw/zinc/22/56/95/548225695.db2.gz PXJCRLUEFQRLPL-AKHDSKFASA-N 1 3 336.524 0.855 20 0 ECADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@H]2CCC[C@H]21 ZINC000671747820 548225699 /nfs/dbraw/zinc/22/56/99/548225699.db2.gz PXJCRLUEFQRLPL-AKHDSKFASA-N 1 3 336.524 0.855 20 0 ECADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@H]2CCC[C@H]21 ZINC000671747820 548225702 /nfs/dbraw/zinc/22/57/02/548225702.db2.gz PXJCRLUEFQRLPL-AKHDSKFASA-N 1 3 336.524 0.855 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672310108 548306729 /nfs/dbraw/zinc/30/67/29/548306729.db2.gz HAYHWHQRUOBOSS-CVEARBPZSA-N 1 3 336.480 0.576 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000672698928 548375927 /nfs/dbraw/zinc/37/59/27/548375927.db2.gz VLOYPUBSFRPMFD-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000673123300 548448450 /nfs/dbraw/zinc/44/84/50/548448450.db2.gz FOKRBMVXRGAGHC-UYTSQGDYSA-N 1 3 336.480 0.671 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000673123300 548448454 /nfs/dbraw/zinc/44/84/54/548448454.db2.gz FOKRBMVXRGAGHC-UYTSQGDYSA-N 1 3 336.480 0.671 20 0 ECADHO CCc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)no1 ZINC000682222228 549373725 /nfs/dbraw/zinc/37/37/25/549373725.db2.gz KUXFTYHIYKAVBC-UHFFFAOYSA-N 1 3 325.413 0.127 20 0 ECADHO O=C1CCN(CCCCCCCC[N@@H+]2CCNC(=O)CC2)CCN1 ZINC000748812174 579329093 /nfs/dbraw/zinc/32/90/93/579329093.db2.gz HPLCKGXJBIRWGW-UHFFFAOYSA-N 1 3 338.496 0.971 20 0 ECADHO O=C1CCN(CCCCCCCC[N@H+]2CCNC(=O)CC2)CCN1 ZINC000748812174 579329094 /nfs/dbraw/zinc/32/90/94/579329094.db2.gz HPLCKGXJBIRWGW-UHFFFAOYSA-N 1 3 338.496 0.971 20 0 ECADHO O[C@@H](CN1CCC(CCN2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000726070180 578138034 /nfs/dbraw/zinc/13/80/34/578138034.db2.gz BPAYGQRAKGDRBK-GOSISDBHSA-N 1 3 325.497 0.877 20 0 ECADHO O[C@H](CN1CCCC1)C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000726070180 578138037 /nfs/dbraw/zinc/13/80/37/578138037.db2.gz BPAYGQRAKGDRBK-GOSISDBHSA-N 1 3 325.497 0.877 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000729507445 578296567 /nfs/dbraw/zinc/29/65/67/578296567.db2.gz UOJUDLGHYZGFJU-IAGOWNOFSA-N 1 3 345.447 0.776 20 0 ECADHO C[NH+](C)CCCNC(=S)N1CCN(CC2CCOCC2)CC1 ZINC000735985722 578401878 /nfs/dbraw/zinc/40/18/78/578401878.db2.gz ZAPYZNRHVQCKAO-UHFFFAOYSA-N 1 3 328.526 0.857 20 0 ECADHO COCC[N@H+](C)CCCC1CCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000799150042 578659789 /nfs/dbraw/zinc/65/97/89/578659789.db2.gz UIGCZVXXBYVTTM-HNNXBMFYSA-N 1 3 325.453 0.862 20 0 ECADHO COCC[N@@H+](C)CCCC1CCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000799150042 578659790 /nfs/dbraw/zinc/65/97/90/578659790.db2.gz UIGCZVXXBYVTTM-HNNXBMFYSA-N 1 3 325.453 0.862 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793705662 578936265 /nfs/dbraw/zinc/93/62/65/578936265.db2.gz AWGXHLGZHYKTPN-CVEARBPZSA-N 1 3 338.496 0.966 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747557836 579853106 /nfs/dbraw/zinc/85/31/06/579853106.db2.gz RCWQNWATBKGYGN-OAHLLOKOSA-N 1 3 338.456 0.677 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000842175343 589017044 /nfs/dbraw/zinc/01/70/44/589017044.db2.gz QSYQBHFGWXAVIR-UHFFFAOYSA-N 1 3 346.475 0.652 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000842190404 589019406 /nfs/dbraw/zinc/01/94/06/589019406.db2.gz SAHOBAONYCVGKO-QFBILLFUSA-N 1 3 344.459 0.493 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000842202152 589020512 /nfs/dbraw/zinc/02/05/12/589020512.db2.gz DTFHYIXDNHQSQH-GPANFISMSA-N 1 3 336.480 0.753 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000842228138 589022563 /nfs/dbraw/zinc/02/25/63/589022563.db2.gz CRTUBHZCQQBMLA-QGZVFWFLSA-N 1 3 344.459 0.501 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000842230593 589023017 /nfs/dbraw/zinc/02/30/17/589023017.db2.gz XZGYAOQFNFULNB-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO COC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCOC1 ZINC000891181002 586086834 /nfs/dbraw/zinc/08/68/34/586086834.db2.gz KPHYDPKTMSIZFD-HZPDHXFCSA-N 1 3 344.500 0.563 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000891536179 586174534 /nfs/dbraw/zinc/17/45/34/586174534.db2.gz OZRLDIMGESEUDT-QWHCGFSZSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@H](CNC(=O)N1CCCCC[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000891603939 586181054 /nfs/dbraw/zinc/18/10/54/586181054.db2.gz TUFDNMQRYAHTAV-HZPDHXFCSA-N 1 3 325.501 0.783 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000891710080 586191152 /nfs/dbraw/zinc/19/11/52/586191152.db2.gz GMMWIMYTRWNCDM-DLBZAZTESA-N 1 3 336.480 0.854 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CNCCC2(F)F)C[C@H]1C(F)(F)F ZINC000892155316 586224593 /nfs/dbraw/zinc/22/45/93/586224593.db2.gz CMPWCDUEVZBSBI-IWSPIJDZSA-N 1 3 330.301 0.762 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892360898 586258236 /nfs/dbraw/zinc/25/82/36/586258236.db2.gz SBHURAWTZZXIMX-ARFHVFGLSA-N 1 3 326.485 0.957 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)[NH2+]C1 ZINC000892383108 586261544 /nfs/dbraw/zinc/26/15/44/586261544.db2.gz FZMGHULAKNJLBU-CABCVRRESA-N 1 3 326.485 0.911 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCC(C)(C)C[NH2+]3)C[C@H]2N)cn1 ZINC000892383978 586261569 /nfs/dbraw/zinc/26/15/69/586261569.db2.gz IXTOIJSQYDQCJV-SOUVJXGZSA-N 1 3 334.468 0.634 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892599919 586276064 /nfs/dbraw/zinc/27/60/64/586276064.db2.gz VUQIYFIIQQOMAF-MUJYYYPQSA-N 1 3 325.501 0.652 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000897313490 586296974 /nfs/dbraw/zinc/29/69/74/586296974.db2.gz FOYOKGQOFQJRJL-OAHLLOKOSA-N 1 3 347.463 0.577 20 0 ECADHO C[N@H+]1C[C@H]2CN(C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)C[C@H]2C1 ZINC000893014008 586305744 /nfs/dbraw/zinc/30/57/44/586305744.db2.gz VAWUGGJJOXNTMX-UXLLHSPISA-N 1 3 336.480 0.833 20 0 ECADHO C[N@@H+]1C[C@H]2CN(C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)C[C@H]2C1 ZINC000893014008 586305749 /nfs/dbraw/zinc/30/57/49/586305749.db2.gz VAWUGGJJOXNTMX-UXLLHSPISA-N 1 3 336.480 0.833 20 0 ECADHO C[C@@H]1CCN(CCNC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000897437742 586322300 /nfs/dbraw/zinc/32/23/00/586322300.db2.gz NLVOJFIVSNJCPW-OAHLLOKOSA-N 1 3 326.485 0.816 20 0 ECADHO C[C@@H]1CCN(CCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000897437742 586322302 /nfs/dbraw/zinc/32/23/02/586322302.db2.gz NLVOJFIVSNJCPW-OAHLLOKOSA-N 1 3 326.485 0.816 20 0 ECADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000897557035 586343827 /nfs/dbraw/zinc/34/38/27/586343827.db2.gz DISXMKLVLFGDHI-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000897557035 586343831 /nfs/dbraw/zinc/34/38/31/586343831.db2.gz DISXMKLVLFGDHI-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cn(C)c(=O)n1C ZINC000900481106 586635084 /nfs/dbraw/zinc/63/50/84/586635084.db2.gz MQQLBDPXNGLUCV-AWEZNQCLSA-N 1 3 337.468 0.212 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cn(C)c(=O)n1C ZINC000900481106 586635085 /nfs/dbraw/zinc/63/50/85/586635085.db2.gz MQQLBDPXNGLUCV-AWEZNQCLSA-N 1 3 337.468 0.212 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000900980998 586680512 /nfs/dbraw/zinc/68/05/12/586680512.db2.gz PVFPOOXUKVUFEJ-SOLBZPMBSA-N 1 3 341.496 0.839 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000900980998 586680513 /nfs/dbraw/zinc/68/05/13/586680513.db2.gz PVFPOOXUKVUFEJ-SOLBZPMBSA-N 1 3 341.496 0.839 20 0 ECADHO CN1CCC(C[NH2+][C@@H]2CCO[C@@]23CCOC3)(N2CCOCC2)CC1 ZINC000903186599 586770933 /nfs/dbraw/zinc/77/09/33/586770933.db2.gz SAZDYNAPZMXUDV-SJLPKXTDSA-N 1 3 339.480 0.321 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1CC[NH3+] ZINC000903714872 586804176 /nfs/dbraw/zinc/80/41/76/586804176.db2.gz JSCOMBXMUWSLCC-HUUCEWRRSA-N 1 3 345.447 0.174 20 0 ECADHO COC(=O)CCN(C[C@@H]1CCCO1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752609 586805252 /nfs/dbraw/zinc/80/52/52/586805252.db2.gz OFZSTDUHFPUJHO-ZOBUZTSGSA-N 1 3 326.437 0.799 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@H]1CC[NH3+] ZINC000903737473 586805680 /nfs/dbraw/zinc/80/56/80/586805680.db2.gz BQLWJGFSPDRSBP-OAGGEKHMSA-N 1 3 336.480 0.517 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000903769707 586809985 /nfs/dbraw/zinc/80/99/85/586809985.db2.gz MJWGYEZLMZLPPR-AFHWFKKNSA-N 1 3 337.420 0.047 20 0 ECADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)C1 ZINC000903754240 586811601 /nfs/dbraw/zinc/81/16/01/586811601.db2.gz CESLMDSJZZRCIB-LSDHHAIUSA-N 1 3 336.480 0.372 20 0 ECADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)C1 ZINC000903754240 586811603 /nfs/dbraw/zinc/81/16/03/586811603.db2.gz CESLMDSJZZRCIB-LSDHHAIUSA-N 1 3 336.480 0.372 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)CC1 ZINC000903775202 586813614 /nfs/dbraw/zinc/81/36/14/586813614.db2.gz BNAPHRIJLAJIPF-CQSZACIVSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903777659 586814074 /nfs/dbraw/zinc/81/40/74/586814074.db2.gz CTODHTGPGUZPRF-UKRRQHHQSA-N 1 3 345.447 0.314 20 0 ECADHO C[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CS(N)(=O)=O ZINC000903826277 586818685 /nfs/dbraw/zinc/81/86/85/586818685.db2.gz HCJSTIZSUPBISV-HZSPNIEDSA-N 1 3 331.482 0.002 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(CN3CCOCC3)CC2)cnn1C ZINC000903880528 586822661 /nfs/dbraw/zinc/82/26/61/586822661.db2.gz SGZLWWMWUOOPBW-SFHVURJKSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCNC[C@H]2c2ccncc2)cnn1C ZINC000903918259 586827288 /nfs/dbraw/zinc/82/72/88/586827288.db2.gz VUNNNILYVXAVCD-QAPCUYQASA-N 1 3 328.464 0.887 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904649884 586841314 /nfs/dbraw/zinc/84/13/14/586841314.db2.gz YADVKJDDWDFKPQ-MRXNPFEDSA-N 1 3 345.447 0.916 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000904973766 586852136 /nfs/dbraw/zinc/85/21/36/586852136.db2.gz QPXZQOKHMJYEIA-HDMKZQKVSA-N 1 3 334.464 0.413 20 0 ECADHO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)C1(O)CCC1 ZINC000905360351 586886584 /nfs/dbraw/zinc/88/65/84/586886584.db2.gz MLPBHQZPEMRJSD-OKZBNKHCSA-N 1 3 334.460 0.735 20 0 ECADHO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)C1(O)CCC1 ZINC000905360351 586886586 /nfs/dbraw/zinc/88/65/86/586886586.db2.gz MLPBHQZPEMRJSD-OKZBNKHCSA-N 1 3 334.460 0.735 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000906705353 586968708 /nfs/dbraw/zinc/96/87/08/586968708.db2.gz GGKUMAKTZICUEN-HNNXBMFYSA-N 1 3 348.447 0.810 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000907089765 587014934 /nfs/dbraw/zinc/01/49/34/587014934.db2.gz GKJVZQKTZRIROH-YESZJQIVSA-N 1 3 338.496 0.190 20 0 ECADHO O=C(C[C@H]1CSCC[NH2+]1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000844169595 589097725 /nfs/dbraw/zinc/09/77/25/589097725.db2.gz ANGDTFVUHVKYBE-GJZGRUSLSA-N 1 3 327.494 0.841 20 0 ECADHO CC(C)[C@]1(C(=O)NC[C@H](C)N(C)C)C[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000823615259 587734402 /nfs/dbraw/zinc/73/44/02/587734402.db2.gz GMMKWCWARFJCFK-YRBFXIGRSA-N 1 3 340.512 0.781 20 0 ECADHO CC(C)[C@]1(C(=O)NC[C@H](C)[NH+](C)C)C[C@H]1C(=O)NC[C@H](C)N(C)C ZINC000823615259 587734404 /nfs/dbraw/zinc/73/44/04/587734404.db2.gz GMMKWCWARFJCFK-YRBFXIGRSA-N 1 3 340.512 0.781 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C1\SCC(=O)N1C ZINC000824400793 587872562 /nfs/dbraw/zinc/87/25/62/587872562.db2.gz DXYLUYVUXVTKDO-ZENNRRHLSA-N 1 3 328.482 0.421 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C1\SCC(=O)N1C ZINC000824400793 587872563 /nfs/dbraw/zinc/87/25/63/587872563.db2.gz DXYLUYVUXVTKDO-ZENNRRHLSA-N 1 3 328.482 0.421 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000826822857 588084997 /nfs/dbraw/zinc/08/49/97/588084997.db2.gz JTDVBWURADJFEC-UONOGXRCSA-N 1 3 327.473 0.477 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000826822857 588084999 /nfs/dbraw/zinc/08/49/99/588084999.db2.gz JTDVBWURADJFEC-UONOGXRCSA-N 1 3 327.473 0.477 20 0 ECADHO CCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000827319916 588112217 /nfs/dbraw/zinc/11/22/17/588112217.db2.gz HCARUTNINNHXLI-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCO[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN(C)C ZINC000831745706 588446575 /nfs/dbraw/zinc/44/65/75/588446575.db2.gz VFWGDMBAGBRIBI-PKOBYXMFSA-N 1 3 349.475 0.706 20 0 ECADHO CCO[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN(C)C ZINC000831745706 588446577 /nfs/dbraw/zinc/44/65/77/588446577.db2.gz VFWGDMBAGBRIBI-PKOBYXMFSA-N 1 3 349.475 0.706 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867419020 589199790 /nfs/dbraw/zinc/19/97/90/589199790.db2.gz ZBPUFAABJNCJRH-HZPDHXFCSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000867419020 589199791 /nfs/dbraw/zinc/19/97/91/589199791.db2.gz ZBPUFAABJNCJRH-HZPDHXFCSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000867438574 589223108 /nfs/dbraw/zinc/22/31/08/589223108.db2.gz RMBJMQZHZWSJMO-IYBDPMFKSA-N 1 3 336.480 0.363 20 0 ECADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NC[C@@H](C2CC2)[NH+](C)C)cn1 ZINC000849506165 589338250 /nfs/dbraw/zinc/33/82/50/589338250.db2.gz VBTAHXZHGHPZEB-ULQDDVLXSA-N 1 3 333.480 0.912 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000851678846 589412420 /nfs/dbraw/zinc/41/24/20/589412420.db2.gz LJCCPHBYYKAJCJ-UONOGXRCSA-N 1 3 342.403 0.277 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000851688604 589414786 /nfs/dbraw/zinc/41/47/86/589414786.db2.gz DPXBZHAJUPFVRD-GOEBONIOSA-N 1 3 332.448 0.225 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000852744303 589509884 /nfs/dbraw/zinc/50/98/84/589509884.db2.gz YDQQJQKCPAEKRF-ZIAGYGMSSA-N 1 3 340.468 0.735 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000852748450 589510181 /nfs/dbraw/zinc/51/01/81/589510181.db2.gz VXVUHJCTLBPCBX-LSDHHAIUSA-N 1 3 340.468 0.736 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2=NO[C@H](CN)C2)[C@H](C)C1 ZINC000852868959 589520290 /nfs/dbraw/zinc/52/02/90/589520290.db2.gz QRTMFVOZCBEQNA-RDBSUJKOSA-N 1 3 326.441 0.343 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C2=NO[C@H](CN)C2)[C@H](C)C1 ZINC000852868959 589520291 /nfs/dbraw/zinc/52/02/91/589520291.db2.gz QRTMFVOZCBEQNA-RDBSUJKOSA-N 1 3 326.441 0.343 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3=NO[C@H](CN)C3)nc2)CC1 ZINC000852873539 589521121 /nfs/dbraw/zinc/52/11/21/589521121.db2.gz YCMIIOVQFFKJGN-AWEZNQCLSA-N 1 3 346.435 0.654 20 0 ECADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852888408 589522050 /nfs/dbraw/zinc/52/20/50/589522050.db2.gz WWDXLQDPMRCAGH-WFASDCNBSA-N 1 3 331.420 0.827 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000855346577 589627856 /nfs/dbraw/zinc/62/78/56/589627856.db2.gz FZZOMQWCTFPICN-WMLDXEAASA-N 1 3 347.463 0.963 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000855346577 589627857 /nfs/dbraw/zinc/62/78/57/589627857.db2.gz FZZOMQWCTFPICN-WMLDXEAASA-N 1 3 347.463 0.963 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000867601301 589813960 /nfs/dbraw/zinc/81/39/60/589813960.db2.gz UOHIDDAHYAYKAJ-PMPSAXMXSA-N 1 3 336.480 0.480 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000867601301 589813963 /nfs/dbraw/zinc/81/39/63/589813963.db2.gz UOHIDDAHYAYKAJ-PMPSAXMXSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867743299 589834703 /nfs/dbraw/zinc/83/47/03/589834703.db2.gz OXGXAUHKAZZXJM-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867743299 589834705 /nfs/dbraw/zinc/83/47/05/589834705.db2.gz OXGXAUHKAZZXJM-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCN3C3CCCC3)CC[C@H]21 ZINC000867800061 589845690 /nfs/dbraw/zinc/84/56/90/589845690.db2.gz SLUJWFBJOIJCDG-HYVNUMGLSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCN3C3CCCC3)CC[C@H]21 ZINC000867800061 589845693 /nfs/dbraw/zinc/84/56/93/589845693.db2.gz SLUJWFBJOIJCDG-HYVNUMGLSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000861728064 589882365 /nfs/dbraw/zinc/88/23/65/589882365.db2.gz CJFIZNFFIJFQOI-KXBFYZLASA-N 1 3 346.475 0.963 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868230254 589882601 /nfs/dbraw/zinc/88/26/01/589882601.db2.gz XCGSFKWUGHYEQF-JKSUJKDBSA-N 1 3 348.447 0.476 20 0 ECADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1 ZINC000868261573 589886795 /nfs/dbraw/zinc/88/67/95/589886795.db2.gz SOUNGXFLROBRBR-HNNXBMFYSA-N 1 3 348.447 0.306 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861750862 589887142 /nfs/dbraw/zinc/88/71/42/589887142.db2.gz WHJQPGFPDSOWAC-HNNXBMFYSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000861772712 589890811 /nfs/dbraw/zinc/89/08/11/589890811.db2.gz YPCSKLDVGFOLIW-YOEHRIQHSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000863749996 590033575 /nfs/dbraw/zinc/03/35/75/590033575.db2.gz IFKYPBGPFYMQND-CYBMUJFWSA-N 1 3 338.427 0.522 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000863769328 590037108 /nfs/dbraw/zinc/03/71/08/590037108.db2.gz AEAIETYZBUZCEV-DOTOQJQBSA-N 1 3 346.475 0.567 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000863769331 590037148 /nfs/dbraw/zinc/03/71/48/590037148.db2.gz AEAIETYZBUZCEV-WBVHZDCISA-N 1 3 346.475 0.567 20 0 ECADHO NCc1cccc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000870999439 590044570 /nfs/dbraw/zinc/04/45/70/590044570.db2.gz MWVZBCWWAMLSBR-KFWWJZLASA-N 1 3 330.388 0.152 20 0 ECADHO CN(C(=O)C(F)C(=O)N(C)C1CC[NH+](C)CC1)C1CCN(C)CC1 ZINC000864396667 590081019 /nfs/dbraw/zinc/08/10/19/590081019.db2.gz MQYDHVKGWJBOOQ-UHFFFAOYSA-N 1 3 342.459 0.430 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])C1 ZINC000872193347 590101836 /nfs/dbraw/zinc/10/18/36/590101836.db2.gz VKRNYCLTTWXBQB-HNNXBMFYSA-N 1 3 326.485 0.905 20 0 ECADHO CC(C)(O)C[C@@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000872200038 590103766 /nfs/dbraw/zinc/10/37/66/590103766.db2.gz VAVCSFWBBGRGFI-QGZVFWFLSA-N 1 3 336.480 0.705 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000865129084 590126621 /nfs/dbraw/zinc/12/66/21/590126621.db2.gz BQNAQVPKJUUGKY-KGLIPLIRSA-N 1 3 342.484 0.994 20 0 ECADHO COc1cccc2c1OC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000873223547 590186866 /nfs/dbraw/zinc/18/68/66/590186866.db2.gz QHVQFORBPLSIRO-ZFWWWQNUSA-N 1 3 333.432 0.786 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCC1(C)C ZINC000875089166 590269649 /nfs/dbraw/zinc/26/96/49/590269649.db2.gz VRTZRJIZXWTQKU-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCC1(C)C ZINC000875089166 590269651 /nfs/dbraw/zinc/26/96/51/590269651.db2.gz VRTZRJIZXWTQKU-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875727155 590326153 /nfs/dbraw/zinc/32/61/53/590326153.db2.gz XGVYZNLCWNXNOC-CSLYMUCUSA-N 1 3 338.496 0.918 20 0 ECADHO C[NH+](C)C[C@H](N)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000876781583 590414617 /nfs/dbraw/zinc/41/46/17/590414617.db2.gz PAIJBOAUGDYMTQ-KRWDZBQOSA-N 1 3 333.480 0.204 20 0 ECADHO NS(=O)(=O)c1cccc(CNCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000877040229 590435489 /nfs/dbraw/zinc/43/54/89/590435489.db2.gz BJOAHEBROIQFIG-HNNXBMFYSA-N 1 3 341.477 0.661 20 0 ECADHO NS(=O)(=O)c1cccc(CNCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000877040229 590435491 /nfs/dbraw/zinc/43/54/91/590435491.db2.gz BJOAHEBROIQFIG-HNNXBMFYSA-N 1 3 341.477 0.661 20 0 ECADHO CN(C)CCOc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)ccn1 ZINC000877161982 590441651 /nfs/dbraw/zinc/44/16/51/590441651.db2.gz CUWZKSFBFSLGCH-UHFFFAOYSA-N 1 3 341.477 0.936 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206851 590445130 /nfs/dbraw/zinc/44/51/30/590445130.db2.gz NFXOYUGYJRSHIL-HOTGVXAUSA-N 1 3 328.420 0.730 20 0 ECADHO CN1CCC(NC(=O)CN2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000879001332 590557419 /nfs/dbraw/zinc/55/74/19/590557419.db2.gz UTOKTWPUUNSZBN-INIZCTEOSA-N 1 3 326.485 0.239 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC000883639439 590637636 /nfs/dbraw/zinc/63/76/36/590637636.db2.gz PKJWBVHXMFYBOC-QLFBSQMISA-N 1 3 345.447 0.314 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884891938 590643316 /nfs/dbraw/zinc/64/33/16/590643316.db2.gz PCAQGCKEFWVWMN-MRXNPFEDSA-N 1 3 346.475 0.615 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCC1(C)C ZINC000884964096 590656110 /nfs/dbraw/zinc/65/61/10/590656110.db2.gz HBMCQPZFGXWMCJ-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000884973941 590659018 /nfs/dbraw/zinc/65/90/18/590659018.db2.gz JFWLKAOBCUXYJM-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CCN)C(=O)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000884975289 590659330 /nfs/dbraw/zinc/65/93/30/590659330.db2.gz AWLQOXXDMURZSZ-UHFFFAOYSA-N 1 3 346.475 0.822 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@H]1CN ZINC000884986718 590664125 /nfs/dbraw/zinc/66/41/25/590664125.db2.gz UUSWEYOBUXADLT-CQDIZWNASA-N 1 3 338.496 0.951 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000885291006 590705497 /nfs/dbraw/zinc/70/54/97/590705497.db2.gz JYDHSACYPWWQAT-GFCCVEGCSA-N 1 3 346.422 0.290 20 0 ECADHO COCCN(C)CCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884127973 590749156 /nfs/dbraw/zinc/74/91/56/590749156.db2.gz RBHMOKALPBFYNA-HNNXBMFYSA-N 1 3 335.452 0.880 20 0 ECADHO CN(C)CCn1cc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)cn1 ZINC000884206377 590775052 /nfs/dbraw/zinc/77/50/52/590775052.db2.gz TZXDSBBVNRFMAS-UHFFFAOYSA-N 1 3 343.435 0.502 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)c2ccnc(N3CCNCC3)c2)CC1 ZINC000884381919 590817428 /nfs/dbraw/zinc/81/74/28/590817428.db2.gz VNACGVOWCQSCAP-UHFFFAOYSA-N 1 3 347.463 0.332 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)c2ccnc(N3CCNCC3)c2)[NH2+]C1 ZINC000884456006 590833053 /nfs/dbraw/zinc/83/30/53/590833053.db2.gz ZBJKXIGYIFJUOA-HNNXBMFYSA-N 1 3 331.464 0.999 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000884502383 590844520 /nfs/dbraw/zinc/84/45/20/590844520.db2.gz IYUAIOPLKBLSQW-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884576479 590861547 /nfs/dbraw/zinc/86/15/47/590861547.db2.gz IPAFTNHLWHTLSO-CYBMUJFWSA-N 1 3 346.422 0.196 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884601457 590867577 /nfs/dbraw/zinc/86/75/77/590867577.db2.gz LWJQQQQXEAQRIN-QAPCUYQASA-N 1 3 338.496 0.825 20 0 ECADHO CCC1(N2CCC2)CC[NH+](CCC(=O)N(C)CC(=O)OC)CC1 ZINC000886710629 590871945 /nfs/dbraw/zinc/87/19/45/590871945.db2.gz CCYJNIUOVPWKMH-UHFFFAOYSA-N 1 3 325.453 0.958 20 0 ECADHO CN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(CN)CCCCC1 ZINC000884626202 590876181 /nfs/dbraw/zinc/87/61/81/590876181.db2.gz DIHPOFJILYVFMM-LSDHHAIUSA-N 1 3 336.480 0.849 20 0 ECADHO CN(C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(CN)CCCCC1 ZINC000884626202 590876184 /nfs/dbraw/zinc/87/61/84/590876184.db2.gz DIHPOFJILYVFMM-LSDHHAIUSA-N 1 3 336.480 0.849 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884659109 590885751 /nfs/dbraw/zinc/88/57/51/590885751.db2.gz IMBYSDZUXDVCRF-GOSISDBHSA-N 1 3 338.496 0.827 20 0 ECADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCNCCC12CCC2 ZINC000884669971 590887496 /nfs/dbraw/zinc/88/74/96/590887496.db2.gz LSBWZOOTUHPVAN-GJZGRUSLSA-N 1 3 334.464 0.474 20 0 ECADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCNCCC12CCC2 ZINC000884669971 590887498 /nfs/dbraw/zinc/88/74/98/590887498.db2.gz LSBWZOOTUHPVAN-GJZGRUSLSA-N 1 3 334.464 0.474 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CCN1c1ccncc1 ZINC000884715171 590905197 /nfs/dbraw/zinc/90/51/97/590905197.db2.gz KWEWUCCCVPAJMV-CYBMUJFWSA-N 1 3 331.420 0.116 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000884722477 590909859 /nfs/dbraw/zinc/90/98/59/590909859.db2.gz XDHWANLHAQMIKS-AWEZNQCLSA-N 1 3 343.431 0.155 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884762168 590917793 /nfs/dbraw/zinc/91/77/93/590917793.db2.gz XJVVVAKXGBCBJH-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884782114 590921935 /nfs/dbraw/zinc/92/19/35/590921935.db2.gz ASUHBNOUNAPHAW-OIISXLGYSA-N 1 3 348.491 0.863 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000884786801 590923707 /nfs/dbraw/zinc/92/37/07/590923707.db2.gz VXYOVGOWDMQWPT-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C1 ZINC000887091672 590942998 /nfs/dbraw/zinc/94/29/98/590942998.db2.gz SBTQCCXNXCWIEN-CABCVRRESA-N 1 3 345.447 0.329 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]3C(=O)OC)CC2)CC1 ZINC000888069066 591034946 /nfs/dbraw/zinc/03/49/46/591034946.db2.gz XMLLYUNVOPZFOW-INIZCTEOSA-N 1 3 337.464 0.957 20 0 ECADHO C[NH+](C)CCn1nccc1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889750597 591080194 /nfs/dbraw/zinc/08/01/94/591080194.db2.gz PUVYIBULJDYGTB-HUUCEWRRSA-N 1 3 335.452 0.116 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946586335 611355340 /nfs/dbraw/zinc/35/53/40/611355340.db2.gz CXOCJISNJLFTJA-OWCLPIDISA-N 1 3 336.480 0.515 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946586335 611355341 /nfs/dbraw/zinc/35/53/41/611355341.db2.gz CXOCJISNJLFTJA-OWCLPIDISA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2CC1 ZINC000946779588 611472974 /nfs/dbraw/zinc/47/29/74/611472974.db2.gz PVZFWIGTKLOKPU-NXOAAHMSSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1 ZINC000946779588 611472977 /nfs/dbraw/zinc/47/29/77/611472977.db2.gz PVZFWIGTKLOKPU-NXOAAHMSSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000948246430 611486826 /nfs/dbraw/zinc/48/68/26/611486826.db2.gz XRAOJROHJLKDEZ-JKSUJKDBSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000948246430 611486828 /nfs/dbraw/zinc/48/68/28/611486828.db2.gz XRAOJROHJLKDEZ-JKSUJKDBSA-N 1 3 334.468 0.685 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000931019496 611498584 /nfs/dbraw/zinc/49/85/84/611498584.db2.gz LDVJNSIYGZQTPM-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000925810816 611502851 /nfs/dbraw/zinc/50/28/51/611502851.db2.gz BBQUIUZKTFICKG-BFHYXJOUSA-N 1 3 347.525 0.969 20 0 ECADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCN1Cc2ccccc2OCC1=O ZINC000925805988 611502329 /nfs/dbraw/zinc/50/23/29/611502329.db2.gz NJVHPCJSFFUQOZ-CWRNSKLLSA-N 1 3 333.432 0.750 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000947512992 611575216 /nfs/dbraw/zinc/57/52/16/611575216.db2.gz CPUDVVDLONLEKJ-HNNXBMFYSA-N 1 3 348.491 0.531 20 0 ECADHO CC1([NH+]2CCC2)CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000927298998 611597026 /nfs/dbraw/zinc/59/70/26/611597026.db2.gz NATLRBLJGGQGLR-BNQMIIOLSA-N 1 3 336.480 0.854 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@@H+]1C ZINC000933847659 608777968 /nfs/dbraw/zinc/77/79/68/608777968.db2.gz LHOOKRWNWDXEND-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@H+]1C ZINC000933847659 608777970 /nfs/dbraw/zinc/77/79/70/608777970.db2.gz LHOOKRWNWDXEND-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926510042 608879663 /nfs/dbraw/zinc/87/96/63/608879663.db2.gz XZHFVWGZQSALDV-CJNGLKHVSA-N 1 3 326.462 0.948 20 0 ECADHO CCOC(=O)[C@](C)(O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000930749608 609122275 /nfs/dbraw/zinc/12/22/75/609122275.db2.gz BDCMUXPDCXTKJA-GOSISDBHSA-N 1 3 341.496 0.793 20 0 ECADHO CCOC(=O)[C@](C)(O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000930749608 609122276 /nfs/dbraw/zinc/12/22/76/609122276.db2.gz BDCMUXPDCXTKJA-GOSISDBHSA-N 1 3 341.496 0.793 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC000937940533 609410478 /nfs/dbraw/zinc/41/04/78/609410478.db2.gz HTKQLIWRJRWOHX-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000937949380 609415746 /nfs/dbraw/zinc/41/57/46/609415746.db2.gz SOMMOEZHRMCEBW-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000937949380 609415750 /nfs/dbraw/zinc/41/57/50/609415750.db2.gz SOMMOEZHRMCEBW-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1=O ZINC000924743929 609505335 /nfs/dbraw/zinc/50/53/35/609505335.db2.gz POKGFOMWNQNQFA-CVEARBPZSA-N 1 3 346.431 0.235 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1=O ZINC000924743929 609505336 /nfs/dbraw/zinc/50/53/36/609505336.db2.gz POKGFOMWNQNQFA-CVEARBPZSA-N 1 3 346.431 0.235 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=S)NCC[NH+](C)C)cc2)CC1 ZINC000060432820 609742036 /nfs/dbraw/zinc/74/20/36/609742036.db2.gz WUDAPTPPELJXFT-UHFFFAOYSA-N 1 3 349.548 0.960 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000910767068 609758637 /nfs/dbraw/zinc/75/86/37/609758637.db2.gz PLHKUPVOBRUDMB-UHFFFAOYSA-N 1 3 340.512 0.975 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000938389043 609770013 /nfs/dbraw/zinc/77/00/13/609770013.db2.gz PLQZSZZRGHHMOR-HZSPNIEDSA-N 1 3 333.436 0.318 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000938389043 609770015 /nfs/dbraw/zinc/77/00/15/609770015.db2.gz PLQZSZZRGHHMOR-HZSPNIEDSA-N 1 3 333.436 0.318 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000910974120 609786826 /nfs/dbraw/zinc/78/68/26/609786826.db2.gz XOMSCTMWZTWFCY-IXDOHACOSA-N 1 3 346.475 0.519 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911027953 609791709 /nfs/dbraw/zinc/79/17/09/609791709.db2.gz GCADWSYKMFHUIB-RVKKMQEKSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911027591 609791868 /nfs/dbraw/zinc/79/18/68/609791868.db2.gz FBQUUOOOMULYMQ-OAGGEKHMSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N(C)Cc1ccccc1 ZINC000911010226 609794033 /nfs/dbraw/zinc/79/40/33/609794033.db2.gz XJEMRRRIZUTCCV-HLLBOEOZSA-N 1 3 346.475 0.676 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)N1CCC(C)CC1 ZINC000911089893 609807702 /nfs/dbraw/zinc/80/77/02/609807702.db2.gz GKLSNEYCBMFHTI-HZPDHXFCSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000911161238 609817622 /nfs/dbraw/zinc/81/76/22/609817622.db2.gz JJDZMWDIKIGILM-IIDMSEBBSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911222284 609829121 /nfs/dbraw/zinc/82/91/21/609829121.db2.gz BYZNWZVVLNKRQB-RVKKMQEKSA-N 1 3 334.464 0.317 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000911257682 609837571 /nfs/dbraw/zinc/83/75/71/609837571.db2.gz JYEGQOBCAPUEST-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@H]1CC[NH3+] ZINC000911257322 609837719 /nfs/dbraw/zinc/83/77/19/609837719.db2.gz GQFANZJSBOANDV-KFWWJZLASA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938545442 609860294 /nfs/dbraw/zinc/86/02/94/609860294.db2.gz FDTCOPONQHCLOE-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938545442 609860296 /nfs/dbraw/zinc/86/02/96/609860296.db2.gz FDTCOPONQHCLOE-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000911528722 609885797 /nfs/dbraw/zinc/88/57/97/609885797.db2.gz QJXFTRLKKLCTPI-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCNC[C@@H]1C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000911745610 609909070 /nfs/dbraw/zinc/90/90/70/609909070.db2.gz QXMKHEQLLXWVBG-JKSUJKDBSA-N 1 3 346.431 0.438 20 0 ECADHO CN1CCNC[C@H]1C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000911750565 609909116 /nfs/dbraw/zinc/90/91/16/609909116.db2.gz DQDFLNKUWWQZQK-CJNGLKHVSA-N 1 3 346.431 0.438 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC000911731561 609909591 /nfs/dbraw/zinc/90/95/91/609909591.db2.gz VNWHWSGNTVNXMO-AWEZNQCLSA-N 1 3 346.431 0.096 20 0 ECADHO CCN1CCN(CCNC(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000916016829 609929063 /nfs/dbraw/zinc/92/90/63/609929063.db2.gz XGACWRLDZXRTQW-OAHLLOKOSA-N 1 3 327.542 0.572 20 0 ECADHO CCN1CCN(CCNC(=S)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000916016829 609929065 /nfs/dbraw/zinc/92/90/65/609929065.db2.gz XGACWRLDZXRTQW-OAHLLOKOSA-N 1 3 327.542 0.572 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)CC[C@@H]21 ZINC000919106232 610032526 /nfs/dbraw/zinc/03/25/26/610032526.db2.gz XMLKUCHFKFPLBV-JYJNAYRXSA-N 1 3 327.494 0.828 20 0 ECADHO C[N@H+]1CC[C@H]2CN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)CC[C@@H]21 ZINC000919106232 610032528 /nfs/dbraw/zinc/03/25/28/610032528.db2.gz XMLKUCHFKFPLBV-JYJNAYRXSA-N 1 3 327.494 0.828 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000938913864 610041560 /nfs/dbraw/zinc/04/15/60/610041560.db2.gz LYADRUDJMLNLMX-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000919636541 610052482 /nfs/dbraw/zinc/05/24/82/610052482.db2.gz YDMREGAGGDYHQM-GDBMZVCRSA-N 1 3 340.468 0.260 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000919636541 610052485 /nfs/dbraw/zinc/05/24/85/610052485.db2.gz YDMREGAGGDYHQM-GDBMZVCRSA-N 1 3 340.468 0.260 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908684 610168949 /nfs/dbraw/zinc/16/89/49/610168949.db2.gz SGJVFQQNZNETGX-UKRRQHHQSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908684 610168950 /nfs/dbraw/zinc/16/89/50/610168950.db2.gz SGJVFQQNZNETGX-UKRRQHHQSA-N 1 3 333.436 0.353 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC000939502924 610219103 /nfs/dbraw/zinc/21/91/03/610219103.db2.gz GTCIQLWGMNZRNV-ARFHVFGLSA-N 1 3 338.496 0.726 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000940424643 610281547 /nfs/dbraw/zinc/28/15/47/610281547.db2.gz WIXXQJCMQLQHFK-OWCLPIDISA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000940424643 610281548 /nfs/dbraw/zinc/28/15/48/610281548.db2.gz WIXXQJCMQLQHFK-OWCLPIDISA-N 1 3 338.496 0.917 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000940616860 610319813 /nfs/dbraw/zinc/31/98/13/610319813.db2.gz LBJKLWNRZPOIQP-BZUAXINKSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H]1CN(CC(=O)N(C)C)CC[C@H]1NC(=O)c1ccn2cncc2c1 ZINC000942289906 610381726 /nfs/dbraw/zinc/38/17/26/610381726.db2.gz YNBUPAISXZGTEG-XJKSGUPXSA-N 1 3 343.431 0.863 20 0 ECADHO C[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)c1ccn2cncc2c1 ZINC000942289906 610381728 /nfs/dbraw/zinc/38/17/28/610381728.db2.gz 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C[C@H]1CCN(CC(=O)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941103247 610538239 /nfs/dbraw/zinc/53/82/39/610538239.db2.gz QTXFBWJOKBZZKN-JKSUJKDBSA-N 1 3 336.480 0.341 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818643 611171722 /nfs/dbraw/zinc/17/17/22/611171722.db2.gz KABWZHNNYAFULF-YYIAUSFCSA-N 1 3 348.491 0.659 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818643 611171725 /nfs/dbraw/zinc/17/17/25/611171725.db2.gz KABWZHNNYAFULF-YYIAUSFCSA-N 1 3 348.491 0.659 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946818642 611171868 /nfs/dbraw/zinc/17/18/68/611171868.db2.gz KABWZHNNYAFULF-YVSFHVDLSA-N 1 3 348.491 0.659 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818642 611171870 /nfs/dbraw/zinc/17/18/70/611171870.db2.gz KABWZHNNYAFULF-YVSFHVDLSA-N 1 3 348.491 0.659 20 0 ECADHO 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C[N@@H+]1C[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC000970042703 732662971 /nfs/dbraw/zinc/66/29/71/732662971.db2.gz KWUVCXPKDVICOF-OAGGEKHMSA-N 1 3 330.432 0.008 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC000970042703 732662975 /nfs/dbraw/zinc/66/29/75/732662975.db2.gz KWUVCXPKDVICOF-OAGGEKHMSA-N 1 3 330.432 0.008 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H]2CCN(CC)C2=O)CC1)N(C)C ZINC001167261195 733104856 /nfs/dbraw/zinc/10/48/56/733104856.db2.gz YXLUGZMCNVMCKY-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCOCCOC)CC1)N(C)C ZINC001167260921 733104866 /nfs/dbraw/zinc/10/48/66/733104866.db2.gz QFHLNAGPVSIXCU-HNNXBMFYSA-N 1 3 329.485 0.866 20 0 ECADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000970446467 733544046 /nfs/dbraw/zinc/54/40/46/733544046.db2.gz BRCRRXXKLWOSCZ-SJORKVTESA-N 1 3 348.491 0.578 20 0 ECADHO CO[C@H](C)CN1CC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970557857 733671753 /nfs/dbraw/zinc/67/17/53/733671753.db2.gz OESCAKIPXVIHMN-ZIAGYGMSSA-N 1 3 337.468 0.530 20 0 ECADHO Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CN2CCOCC2)C1 ZINC000970726985 733877835 /nfs/dbraw/zinc/87/78/35/733877835.db2.gz CHRWEQWBPWBJMQ-DZGCQCFKSA-N 1 3 336.436 0.642 20 0 ECADHO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000970796298 733947619 /nfs/dbraw/zinc/94/76/19/733947619.db2.gz MZNFFSKHFYCHME-GDBMZVCRSA-N 1 3 330.432 0.441 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970796298 733947620 /nfs/dbraw/zinc/94/76/20/733947620.db2.gz MZNFFSKHFYCHME-GDBMZVCRSA-N 1 3 330.432 0.441 20 0 ECADHO C[NH+](C)CCOCC(=O)N1CCC[C@H](NCc2cncc(F)c2)C1 ZINC001210678958 733957966 /nfs/dbraw/zinc/95/79/66/733957966.db2.gz YWNJWJXXHWPKHU-INIZCTEOSA-N 1 3 338.427 0.880 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971526534 734713590 /nfs/dbraw/zinc/71/35/90/734713590.db2.gz XOIGSCXQLUTSDH-JKSUJKDBSA-N 1 3 334.468 0.684 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971526534 734713595 /nfs/dbraw/zinc/71/35/95/734713595.db2.gz XOIGSCXQLUTSDH-JKSUJKDBSA-N 1 3 334.468 0.684 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001104363010 734723009 /nfs/dbraw/zinc/72/30/09/734723009.db2.gz UTQMFKARONCNSO-KFWWJZLASA-N 1 3 338.496 0.679 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971544030 734737212 /nfs/dbraw/zinc/73/72/12/734737212.db2.gz VXZHSEGHUFWZOR-HOTGVXAUSA-N 1 3 332.452 0.153 20 0 ECADHO Cc1ncsc1CCN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179864 782439840 /nfs/dbraw/zinc/43/98/40/782439840.db2.gz BKTXWFOIGLUOKO-ZIAGYGMSSA-N 1 3 338.477 0.251 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)N(C)CC)CC1 ZINC001167486894 734889889 /nfs/dbraw/zinc/88/98/89/734889889.db2.gz VNSCQILEZKCMMQ-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001006408635 751359698 /nfs/dbraw/zinc/35/96/98/751359698.db2.gz UUQUHMMZOSIJLV-MRXNPFEDSA-N 1 3 346.479 0.784 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1=O ZINC001022980255 736353121 /nfs/dbraw/zinc/35/31/21/736353121.db2.gz NEWAFPJJHADWHS-BETUJISGSA-N 1 3 347.415 0.481 20 0 ECADHO CCn1nncc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001023130238 736525417 /nfs/dbraw/zinc/52/54/17/736525417.db2.gz FZNRUYUCNNFSPH-LZWOXQAQSA-N 1 3 334.468 0.909 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001023130857 736525846 /nfs/dbraw/zinc/52/58/46/736525846.db2.gz JIWSLSYEARRHDT-QKPAOTATSA-N 1 3 336.480 0.718 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001067461618 736872268 /nfs/dbraw/zinc/87/22/68/736872268.db2.gz FYYLIAGIYQJFJQ-OAHLLOKOSA-N 1 3 326.485 0.587 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067461618 736872271 /nfs/dbraw/zinc/87/22/71/736872271.db2.gz FYYLIAGIYQJFJQ-OAHLLOKOSA-N 1 3 326.485 0.587 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001067462005 737198735 /nfs/dbraw/zinc/19/87/35/737198735.db2.gz XEDVFQQECZGYAX-LSDHHAIUSA-N 1 3 326.485 0.585 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001067462005 737198738 /nfs/dbraw/zinc/19/87/38/737198738.db2.gz XEDVFQQECZGYAX-LSDHHAIUSA-N 1 3 326.485 0.585 20 0 ECADHO CN(CCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CN1CCCC1 ZINC001067465659 737406569 /nfs/dbraw/zinc/40/65/69/737406569.db2.gz CTPFNLOKAXWCKL-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CN1CCC[C@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178559 737800785 /nfs/dbraw/zinc/80/07/85/737800785.db2.gz AXKZUWHTLFANOC-HIFRSBDPSA-N 1 3 333.436 0.401 20 0 ECADHO COc1cncc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001024264412 737870894 /nfs/dbraw/zinc/87/08/94/737870894.db2.gz QLTPJAYXBIPIGE-GJZGRUSLSA-N 1 3 347.463 0.765 20 0 ECADHO COc1cncc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024264412 737870898 /nfs/dbraw/zinc/87/08/98/737870898.db2.gz QLTPJAYXBIPIGE-GJZGRUSLSA-N 1 3 347.463 0.765 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001006457909 751406970 /nfs/dbraw/zinc/40/69/70/751406970.db2.gz PVPFWHGYCPDONI-LSDHHAIUSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000988009796 751429958 /nfs/dbraw/zinc/42/99/58/751429958.db2.gz ZIEAOYWSXKUJDT-MRXNPFEDSA-N 1 3 348.491 0.485 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104641463 739350499 /nfs/dbraw/zinc/35/04/99/739350499.db2.gz TVHJROFTTINEFA-BFYDXBDKSA-N 1 3 340.512 0.783 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@@H](O)CC(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000307945144 739410981 /nfs/dbraw/zinc/41/09/81/739410981.db2.gz XYZBLVLQKLYFRC-AVGNSLFASA-N 1 3 337.386 0.880 20 0 ECADHO Cc1ccc(Br)nc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218750658 739870052 /nfs/dbraw/zinc/87/00/52/739870052.db2.gz XYXCBJWOUPMMML-VIFPVBQESA-N 1 3 325.210 0.900 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCN2C(C)C)C1=O ZINC001025778807 739936778 /nfs/dbraw/zinc/93/67/78/739936778.db2.gz DBEYBHSMJIXUIT-JJTUDDRGSA-N 1 3 348.491 0.526 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCN2C(C)C)C1=O ZINC001025778807 739936780 /nfs/dbraw/zinc/93/67/80/739936780.db2.gz DBEYBHSMJIXUIT-JJTUDDRGSA-N 1 3 348.491 0.526 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799078 739969095 /nfs/dbraw/zinc/96/90/95/739969095.db2.gz SZNRWKVBADZITI-ZBRFXRBCSA-N 1 3 349.475 0.323 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799078 739969096 /nfs/dbraw/zinc/96/90/96/739969096.db2.gz SZNRWKVBADZITI-ZBRFXRBCSA-N 1 3 349.475 0.323 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026043492 740335582 /nfs/dbraw/zinc/33/55/82/740335582.db2.gz CANOZYQOKXDUOM-RMWBKXBUSA-N 1 3 348.491 0.291 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026043492 740335586 /nfs/dbraw/zinc/33/55/86/740335586.db2.gz CANOZYQOKXDUOM-RMWBKXBUSA-N 1 3 348.491 0.291 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001026148358 740422592 /nfs/dbraw/zinc/42/25/92/740422592.db2.gz BRRVKLBXNDVJDX-QZIVSUOLSA-N 1 3 345.491 0.882 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001026148358 740422595 /nfs/dbraw/zinc/42/25/95/740422595.db2.gz BRRVKLBXNDVJDX-QZIVSUOLSA-N 1 3 345.491 0.882 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001104813124 740564846 /nfs/dbraw/zinc/56/48/46/740564846.db2.gz ZCHSNELGPOAGNQ-OWCLPIDISA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCn4cncn4)[C@@H]3C2)CCC1 ZINC001026281615 740733417 /nfs/dbraw/zinc/73/34/17/740733417.db2.gz GMFFIWMPKRFGJU-ARFHVFGLSA-N 1 3 346.479 0.589 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(=O)N4CCC4)[C@H]3C2)CCC1 ZINC001026285424 740747003 /nfs/dbraw/zinc/74/70/03/740747003.db2.gz ZVSIREURSGTXOC-HRCADAONSA-N 1 3 348.491 0.530 20 0 ECADHO CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104938630 740980734 /nfs/dbraw/zinc/98/07/34/740980734.db2.gz YQWCPNDLZOKGIZ-HZPDHXFCSA-N 1 3 340.512 0.929 20 0 ECADHO Cn1cnnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]12 ZINC001026400454 741235354 /nfs/dbraw/zinc/23/53/54/741235354.db2.gz JXXNLGOELAEHBE-RBSFLKMASA-N 1 3 344.463 0.238 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001105064580 741273413 /nfs/dbraw/zinc/27/34/13/741273413.db2.gz XUYBRRNUCCETCW-BZUAXINKSA-N 1 3 338.496 0.679 20 0 ECADHO Cn1cc(CCN2CCCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)cn1 ZINC000982148699 751651149 /nfs/dbraw/zinc/65/11/49/751651149.db2.gz SGYWRZMBONYPNS-QGZVFWFLSA-N 1 3 345.491 0.839 20 0 ECADHO Cn1cc(CCN2CCCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)cn1 ZINC000982148699 751651152 /nfs/dbraw/zinc/65/11/52/751651152.db2.gz SGYWRZMBONYPNS-QGZVFWFLSA-N 1 3 345.491 0.839 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001026726758 741722816 /nfs/dbraw/zinc/72/28/16/741722816.db2.gz FFOSSEOHPFPXAO-HZPDHXFCSA-N 1 3 332.448 0.418 20 0 ECADHO Cn1ccc(CNC[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001026846598 741952735 /nfs/dbraw/zinc/95/27/35/741952735.db2.gz CAACRAOWJBZHTG-PBHICJAKSA-N 1 3 331.464 0.700 20 0 ECADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001026847138 741954829 /nfs/dbraw/zinc/95/48/29/741954829.db2.gz IGIYTEIACGLOAV-GOEBONIOSA-N 1 3 331.464 0.700 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001026874866 742007019 /nfs/dbraw/zinc/00/70/19/742007019.db2.gz BNMFJGQIMZSVLP-HOCLYGCPSA-N 1 3 334.468 0.628 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001026874866 742007023 /nfs/dbraw/zinc/00/70/23/742007023.db2.gz BNMFJGQIMZSVLP-HOCLYGCPSA-N 1 3 334.468 0.628 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)nn1 ZINC001026887930 742044080 /nfs/dbraw/zinc/04/40/80/742044080.db2.gz YGUFNKGKNPLIRA-DYVFJYSZSA-N 1 3 347.463 0.764 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901298 742051360 /nfs/dbraw/zinc/05/13/60/742051360.db2.gz MPANYLBHECYBDB-ZBFHGGJFSA-N 1 3 336.484 0.822 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)[nH]1 ZINC001026913050 742074467 /nfs/dbraw/zinc/07/44/67/742074467.db2.gz XRZWISZEQATBGN-HNNXBMFYSA-N 1 3 346.479 0.927 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)nn1 ZINC001026920835 742087259 /nfs/dbraw/zinc/08/72/59/742087259.db2.gz IMNAQZCFKLFTPF-ZBFHGGJFSA-N 1 3 347.463 0.908 20 0 ECADHO CC1(C)C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000974828155 742228922 /nfs/dbraw/zinc/22/89/22/742228922.db2.gz SVQFBOIMGJNGGR-QRHJNKNDSA-N 1 3 337.464 0.059 20 0 ECADHO CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000974828155 742228931 /nfs/dbraw/zinc/22/89/31/742228931.db2.gz SVQFBOIMGJNGGR-QRHJNKNDSA-N 1 3 337.464 0.059 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)[nH]1 ZINC001027021987 742315382 /nfs/dbraw/zinc/31/53/82/742315382.db2.gz YGZWNADCFZZWHZ-QEJZJMRPSA-N 1 3 334.468 0.782 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)[nH]1 ZINC001027021987 742315387 /nfs/dbraw/zinc/31/53/87/742315387.db2.gz YGZWNADCFZZWHZ-QEJZJMRPSA-N 1 3 334.468 0.782 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001027045680 742361294 /nfs/dbraw/zinc/36/12/94/742361294.db2.gz XNOREUBTHJGHLG-GOEBONIOSA-N 1 3 336.484 0.822 20 0 ECADHO Cn1cnnc1CNC[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027066811 742418942 /nfs/dbraw/zinc/41/89/42/742418942.db2.gz ZTEUJGSABBBPJZ-AWEZNQCLSA-N 1 3 334.468 0.485 20 0 ECADHO Cn1cnnc1CNC[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027066811 742418944 /nfs/dbraw/zinc/41/89/44/742418944.db2.gz ZTEUJGSABBBPJZ-AWEZNQCLSA-N 1 3 334.468 0.485 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027064312 742433628 /nfs/dbraw/zinc/43/36/28/742433628.db2.gz BRFBCZIQNUOHLX-ZBFHGGJFSA-N 1 3 348.495 0.886 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091095 742524121 /nfs/dbraw/zinc/52/41/21/742524121.db2.gz DCLYVUSWARDVCD-UKRRQHHQSA-N 1 3 333.436 0.400 20 0 ECADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001027146027 742763482 /nfs/dbraw/zinc/76/34/82/742763482.db2.gz DSSSSKFHYABQGN-HNNXBMFYSA-N 1 3 349.479 0.469 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001027170953 742991979 /nfs/dbraw/zinc/99/19/79/742991979.db2.gz RMYIRHOJNOMSMJ-ZIAGYGMSSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027170953 742991982 /nfs/dbraw/zinc/99/19/82/742991982.db2.gz RMYIRHOJNOMSMJ-ZIAGYGMSSA-N 1 3 336.436 0.963 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCc3ccnn3C)CC2)C1 ZINC000996996978 743108904 /nfs/dbraw/zinc/10/89/04/743108904.db2.gz AZSVMDKVQJHLKC-HNNXBMFYSA-N 1 3 333.480 0.885 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001027216600 743192153 /nfs/dbraw/zinc/19/21/53/743192153.db2.gz BOQHPJCNANPQQI-GJZGRUSLSA-N 1 3 332.452 0.299 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000997243473 743399675 /nfs/dbraw/zinc/39/96/75/743399675.db2.gz VQLFNDCIXKHYKI-UHFFFAOYSA-N 1 3 345.447 0.464 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)CCC1 ZINC000997388336 743562299 /nfs/dbraw/zinc/56/22/99/743562299.db2.gz YHJUTHWQFIVKMG-UHFFFAOYSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CCC1 ZINC000997391687 743565144 /nfs/dbraw/zinc/56/51/44/743565144.db2.gz FXTHJVFROWAGHV-UHFFFAOYSA-N 1 3 336.480 0.672 20 0 ECADHO COc1coc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1=O ZINC001020587456 751847292 /nfs/dbraw/zinc/84/72/92/751847292.db2.gz GZMOACNRIRBQRV-IHRRRGAJSA-N 1 3 349.431 0.870 20 0 ECADHO COc1cncc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000997610877 743708135 /nfs/dbraw/zinc/70/81/35/743708135.db2.gz AEZFKRRLPDDTHC-MRXNPFEDSA-N 1 3 347.463 0.908 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC000997611469 743708167 /nfs/dbraw/zinc/70/81/67/743708167.db2.gz FUZLDQISWDQNAO-HOTGVXAUSA-N 1 3 346.479 0.688 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCN2CCCC2=O)C1 ZINC001027334908 743772043 /nfs/dbraw/zinc/77/20/43/743772043.db2.gz XTDSYKKGHWLGEK-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCN2CCCC2=O)C1 ZINC001027334908 743772045 /nfs/dbraw/zinc/77/20/45/743772045.db2.gz XTDSYKKGHWLGEK-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000997823311 743837729 /nfs/dbraw/zinc/83/77/29/743837729.db2.gz KTDDNIZLHKZCLL-HOTGVXAUSA-N 1 3 336.480 0.386 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c(C)n1 ZINC001020592921 751865473 /nfs/dbraw/zinc/86/54/73/751865473.db2.gz SCSRXSPADRXXNC-DDWPSWQVSA-N 1 3 347.463 0.728 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)c(C)n1 ZINC001020592921 751865477 /nfs/dbraw/zinc/86/54/77/751865477.db2.gz SCSRXSPADRXXNC-DDWPSWQVSA-N 1 3 347.463 0.728 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000976495173 744022614 /nfs/dbraw/zinc/02/26/14/744022614.db2.gz JZMJCTRYSMGJEY-HPFXQQBRSA-N 1 3 348.491 0.386 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]21 ZINC000976507525 744038170 /nfs/dbraw/zinc/03/81/70/744038170.db2.gz MNFDYOWXWVDYKE-DMRKSPOLSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]21 ZINC000976507525 744038176 /nfs/dbraw/zinc/03/81/76/744038176.db2.gz MNFDYOWXWVDYKE-DMRKSPOLSA-N 1 3 348.491 0.526 20 0 ECADHO COc1cncc(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998266790 744087082 /nfs/dbraw/zinc/08/70/82/744087082.db2.gz RDSQCRRMVCRAHQ-HNNXBMFYSA-N 1 3 347.463 0.765 20 0 ECADHO COc1cncc(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998266790 744087085 /nfs/dbraw/zinc/08/70/85/744087085.db2.gz RDSQCRRMVCRAHQ-HNNXBMFYSA-N 1 3 347.463 0.765 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCO)C2)CCC1 ZINC000998267055 744087388 /nfs/dbraw/zinc/08/73/88/744087388.db2.gz MCPHURCBZYAHNW-NEPJUHHUSA-N 1 3 337.386 0.832 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC000976560847 744090717 /nfs/dbraw/zinc/09/07/17/744090717.db2.gz ZGLMDCUAELOLOA-FIDHJVLJSA-N 1 3 348.491 0.241 20 0 ECADHO O=C(N1CC[C@H](C(F)(F)F)[C@@H](NCCO)C1)C12CCC[NH+]1CCC2 ZINC000998283442 744097735 /nfs/dbraw/zinc/09/77/35/744097735.db2.gz WECHDNALVVMROA-STQMWFEESA-N 1 3 349.397 0.976 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+]([C@H]3CCNC3=O)C[C@]2(C)C1)C1CC1 ZINC000982295785 751896962 /nfs/dbraw/zinc/89/69/62/751896962.db2.gz FEZSLWRTMUMLLC-QGWWYQLQSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCNC3=O)C[C@]2(C)C1)C1CC1 ZINC000982295785 751896970 /nfs/dbraw/zinc/89/69/70/751896970.db2.gz FEZSLWRTMUMLLC-QGWWYQLQSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000976866215 744420053 /nfs/dbraw/zinc/42/00/53/744420053.db2.gz ATSKZQZZAGJNNS-POORBHPNSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000976866215 744420056 /nfs/dbraw/zinc/42/00/56/744420056.db2.gz ATSKZQZZAGJNNS-POORBHPNSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000976866440 744420187 /nfs/dbraw/zinc/42/01/87/744420187.db2.gz CBAAIIPREZKLEN-XHWCBRGXSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000976866440 744420189 /nfs/dbraw/zinc/42/01/89/744420189.db2.gz CBAAIIPREZKLEN-XHWCBRGXSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000976866213 744420338 /nfs/dbraw/zinc/42/03/38/744420338.db2.gz ATSKZQZZAGJNNS-LCEIHVTHSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000976866213 744420341 /nfs/dbraw/zinc/42/03/41/744420341.db2.gz ATSKZQZZAGJNNS-LCEIHVTHSA-N 1 3 348.491 0.243 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]21 ZINC000976927822 744500118 /nfs/dbraw/zinc/50/01/18/744500118.db2.gz RADPUMUJDGZNIQ-UPMLDKDTSA-N 1 3 345.447 0.031 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@H]21 ZINC000976927822 744500119 /nfs/dbraw/zinc/50/01/19/744500119.db2.gz RADPUMUJDGZNIQ-UPMLDKDTSA-N 1 3 345.447 0.031 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCN2CCCC2=O)C1)N(C)C ZINC001027459743 744570960 /nfs/dbraw/zinc/57/09/60/744570960.db2.gz APSANMHHUXSEQB-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCN2CCCC2=O)C1)N(C)C ZINC001027459743 744570961 /nfs/dbraw/zinc/57/09/61/744570961.db2.gz APSANMHHUXSEQB-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC000999303672 744612551 /nfs/dbraw/zinc/61/25/51/744612551.db2.gz HXAQAWFCNOIRPV-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC000999303672 744612554 /nfs/dbraw/zinc/61/25/54/744612554.db2.gz HXAQAWFCNOIRPV-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)CCC1 ZINC000999355313 744648703 /nfs/dbraw/zinc/64/87/03/744648703.db2.gz UJOGDWJJUMSGRW-HUUCEWRRSA-N 1 3 346.479 0.830 20 0 ECADHO O=C(N1CCC[C@@H](N[C@@H]2CCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC000999491749 744720237 /nfs/dbraw/zinc/72/02/37/744720237.db2.gz XALZKRBZANDBEL-HUUCEWRRSA-N 1 3 334.464 0.332 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC000977196620 744748356 /nfs/dbraw/zinc/74/83/56/744748356.db2.gz NQQCQTCNYKEJIV-POORBHPNSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC000977196620 744748359 /nfs/dbraw/zinc/74/83/59/744748359.db2.gz NQQCQTCNYKEJIV-POORBHPNSA-N 1 3 348.491 0.386 20 0 ECADHO CN1CC[C@@H](N[C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000999597930 744782237 /nfs/dbraw/zinc/78/22/37/744782237.db2.gz SBVMYIOSGPDKTO-LSDHHAIUSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000999876834 744985033 /nfs/dbraw/zinc/98/50/33/744985033.db2.gz LMOZAIPLZOGZDO-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000999879122 744989059 /nfs/dbraw/zinc/98/90/59/744989059.db2.gz UTZBQNOQALCHRV-RDTXWAMCSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000999879112 744989595 /nfs/dbraw/zinc/98/95/95/744989595.db2.gz UTZBQNOQALCHRV-KBXCAEBGSA-N 1 3 348.491 0.530 20 0 ECADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000983715279 745091079 /nfs/dbraw/zinc/09/10/79/745091079.db2.gz HMFBGBHJIOTBOX-FPCVCCKLSA-N 1 3 347.463 0.268 20 0 ECADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000983715279 745091083 /nfs/dbraw/zinc/09/10/83/745091083.db2.gz HMFBGBHJIOTBOX-FPCVCCKLSA-N 1 3 347.463 0.268 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001029108048 745100538 /nfs/dbraw/zinc/10/05/38/745100538.db2.gz VWQSVDBMNILLRB-SUMWQHHRSA-N 1 3 348.495 0.872 20 0 ECADHO C[C@@H]([NH2+][C@H]1CCNC1=O)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108881 745101929 /nfs/dbraw/zinc/10/19/29/745101929.db2.gz UJEFRMLROPBSQA-CJNGLKHVSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000977762453 745487911 /nfs/dbraw/zinc/48/79/11/745487911.db2.gz VMUABMDWIXJYIH-DLBZAZTESA-N 1 3 348.491 0.483 20 0 ECADHO Cn1cc(CN[C@H]2CCCN(C(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC001000575394 745610357 /nfs/dbraw/zinc/61/03/57/745610357.db2.gz WKNYRWZTFBNQSG-INIZCTEOSA-N 1 3 349.479 0.612 20 0 ECADHO COC[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075803747 745738104 /nfs/dbraw/zinc/73/81/04/745738104.db2.gz ABUZLTHOKJDTFK-HLLBOEOZSA-N 1 3 349.479 0.626 20 0 ECADHO CC[C@H](C(N)=O)N1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000909008 745889115 /nfs/dbraw/zinc/88/91/15/745889115.db2.gz MXBQLRXKKRFEEF-MRXNPFEDSA-N 1 3 341.415 0.960 20 0 ECADHO O=C(NCC1CCN(CCn2cncn2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001001415765 746355473 /nfs/dbraw/zinc/35/54/73/746355473.db2.gz RVBYWZGLGKUICV-QGZVFWFLSA-N 1 3 346.479 0.448 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCO)C1 ZINC001211680419 746361749 /nfs/dbraw/zinc/36/17/49/746361749.db2.gz VYOVLBNPLBEJCF-DLBZAZTESA-N 1 3 328.416 0.919 20 0 ECADHO NC(=O)C[NH+]1CCC(CNC(=O)c2ccn(-c3ccncc3)n2)CC1 ZINC001001618566 746545079 /nfs/dbraw/zinc/54/50/79/746545079.db2.gz CVBBWASFODXXGX-UHFFFAOYSA-N 1 3 342.403 0.194 20 0 ECADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC001001879068 746781032 /nfs/dbraw/zinc/78/10/32/746781032.db2.gz HPRRPVWGBJTNEL-CVEARBPZSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC001001879068 746781036 /nfs/dbraw/zinc/78/10/36/746781036.db2.gz HPRRPVWGBJTNEL-CVEARBPZSA-N 1 3 338.496 0.774 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)n1 ZINC000984803242 746958222 /nfs/dbraw/zinc/95/82/22/746958222.db2.gz GXFQWXDNBFBQLF-DZKIICNBSA-N 1 3 347.463 0.811 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC001002085695 746962607 /nfs/dbraw/zinc/96/26/07/746962607.db2.gz WTDWXRGSNLMWGH-IRXDYDNUSA-N 1 3 348.491 0.243 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC000984809880 746966508 /nfs/dbraw/zinc/96/65/08/746966508.db2.gz SVIOPRWYLFACOO-XOUADPBQSA-N 1 3 347.463 0.667 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC000984809880 746966511 /nfs/dbraw/zinc/96/65/11/746966511.db2.gz SVIOPRWYLFACOO-XOUADPBQSA-N 1 3 347.463 0.667 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)n1 ZINC000984810712 746967651 /nfs/dbraw/zinc/96/76/51/746967651.db2.gz XVAUIYJWTPFHGW-DARAHFNDSA-N 1 3 347.463 0.667 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)n1 ZINC000984810712 746967656 /nfs/dbraw/zinc/96/76/56/746967656.db2.gz XVAUIYJWTPFHGW-DARAHFNDSA-N 1 3 347.463 0.667 20 0 ECADHO CN1CCC[C@H](N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002120588 747000979 /nfs/dbraw/zinc/00/09/79/747000979.db2.gz IXKDFVBAUGHCNW-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@H](N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002120588 747000982 /nfs/dbraw/zinc/00/09/82/747000982.db2.gz IXKDFVBAUGHCNW-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000985037771 747291737 /nfs/dbraw/zinc/29/17/37/747291737.db2.gz LQRLPLIYVAIVTC-CTYIDZIISA-N 1 3 345.447 0.565 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001002452080 747363432 /nfs/dbraw/zinc/36/34/32/747363432.db2.gz RRHFEEGKLKNDBK-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001002452080 747363442 /nfs/dbraw/zinc/36/34/42/747363442.db2.gz RRHFEEGKLKNDBK-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000979305991 747574953 /nfs/dbraw/zinc/57/49/53/747574953.db2.gz BKNQPHXNOGVTAK-RHSMWYFYSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000979316073 747626834 /nfs/dbraw/zinc/62/68/34/747626834.db2.gz MISZHMYUODFQON-ZBFHGGJFSA-N 1 3 349.479 0.610 20 0 ECADHO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529951 747790420 /nfs/dbraw/zinc/79/04/20/747790420.db2.gz XARWBBVRUXCGNW-MPGHIAIKSA-N 1 3 336.480 0.293 20 0 ECADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)CCC1 ZINC001002799085 747801003 /nfs/dbraw/zinc/80/10/03/747801003.db2.gz YHDXREWOZDEIRC-JJXSEGSLSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)CCC1 ZINC001002799085 747801015 /nfs/dbraw/zinc/80/10/15/747801015.db2.gz YHDXREWOZDEIRC-JJXSEGSLSA-N 1 3 348.491 0.671 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001002811533 747817658 /nfs/dbraw/zinc/81/76/58/747817658.db2.gz OQMRWFHSYMDYHP-NVXWUHKLSA-N 1 3 346.479 0.733 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001002811533 747817664 /nfs/dbraw/zinc/81/76/64/747817664.db2.gz OQMRWFHSYMDYHP-NVXWUHKLSA-N 1 3 346.479 0.733 20 0 ECADHO Cn1cc(CCN2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC001002829366 747844776 /nfs/dbraw/zinc/84/47/76/747844776.db2.gz UENHVQWYLNUTFJ-GOSISDBHSA-N 1 3 345.491 0.885 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001002874959 747907630 /nfs/dbraw/zinc/90/76/30/747907630.db2.gz FAZAOPKGDCVLNU-MRXNPFEDSA-N 1 3 348.491 0.531 20 0 ECADHO CN(CCF)C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000985436074 748008949 /nfs/dbraw/zinc/00/89/49/748008949.db2.gz UIYYLBCEUUHJLN-UHFFFAOYSA-N 1 3 325.432 0.951 20 0 ECADHO CN(C)C1(C(=O)N2CCC([N@H+](C)[C@@H]3CCN(C)C3=O)CC2)CCC1 ZINC000985470201 748199257 /nfs/dbraw/zinc/19/92/57/748199257.db2.gz NNPPPHBLHNNLHV-OAHLLOKOSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)[C@@H]3CCN(C)C3=O)CC2)CCC1 ZINC000985470201 748199264 /nfs/dbraw/zinc/19/92/64/748199264.db2.gz NNPPPHBLHNNLHV-OAHLLOKOSA-N 1 3 336.480 0.624 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000985493124 748281212 /nfs/dbraw/zinc/28/12/12/748281212.db2.gz RHMIMNKBEFOASJ-CVEARBPZSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000985493124 748281219 /nfs/dbraw/zinc/28/12/19/748281219.db2.gz RHMIMNKBEFOASJ-CVEARBPZSA-N 1 3 338.496 0.870 20 0 ECADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518376 748381214 /nfs/dbraw/zinc/38/12/14/748381214.db2.gz NQROELBJALZBLR-UHFFFAOYSA-N 1 3 348.491 0.770 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000979781766 748382285 /nfs/dbraw/zinc/38/22/85/748382285.db2.gz ADYUVLAUVMKBJQ-JONQDZQNSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000979781766 748382288 /nfs/dbraw/zinc/38/22/88/748382288.db2.gz ADYUVLAUVMKBJQ-JONQDZQNSA-N 1 3 336.480 0.291 20 0 ECADHO O=C(NC1CC[NH+](CCCF)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001003333206 748436011 /nfs/dbraw/zinc/43/60/11/748436011.db2.gz PTXQXEGRJVHYDW-GULBITTBSA-N 1 3 325.428 0.790 20 0 ECADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985568919 748552069 /nfs/dbraw/zinc/55/20/69/748552069.db2.gz RPOKTDBIFHEHKC-OAHLLOKOSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C1 ZINC001003628995 748742580 /nfs/dbraw/zinc/74/25/80/748742580.db2.gz WHWWUODPZBNNMH-RDJZCZTQSA-N 1 3 349.479 0.166 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)C1 ZINC001003632373 748744926 /nfs/dbraw/zinc/74/49/26/748744926.db2.gz ZDYYQWGHOOMBHD-HOCLYGCPSA-N 1 3 346.479 0.688 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3C2)C1 ZINC000980172583 749121267 /nfs/dbraw/zinc/12/12/67/749121267.db2.gz XVGFRWRJQUIAFY-RRFJBIMHSA-N 1 3 336.480 0.420 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3C2)C1 ZINC000980172583 749121270 /nfs/dbraw/zinc/12/12/70/749121270.db2.gz XVGFRWRJQUIAFY-RRFJBIMHSA-N 1 3 336.480 0.420 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001051348737 761927945 /nfs/dbraw/zinc/92/79/45/761927945.db2.gz RKKCDZYBILLHJB-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000980220963 749200683 /nfs/dbraw/zinc/20/06/83/749200683.db2.gz OPOIAZVWNWUDHX-WLYUNCDWSA-N 1 3 347.463 0.756 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000980220963 749200688 /nfs/dbraw/zinc/20/06/88/749200688.db2.gz OPOIAZVWNWUDHX-WLYUNCDWSA-N 1 3 347.463 0.756 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2CN[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001051351458 761928933 /nfs/dbraw/zinc/92/89/33/761928933.db2.gz TYZKWYQKSSBLRW-JONQDZQNSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2CN[C@H]2CCNC2=O)CC[N@H+]1C ZINC001051351458 761928937 /nfs/dbraw/zinc/92/89/37/761928937.db2.gz TYZKWYQKSSBLRW-JONQDZQNSA-N 1 3 336.480 0.576 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001004357603 749422377 /nfs/dbraw/zinc/42/23/77/749422377.db2.gz BZVLZHFKSXKDNY-VQHPVUNQSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001004357603 749422382 /nfs/dbraw/zinc/42/23/82/749422382.db2.gz BZVLZHFKSXKDNY-VQHPVUNQSA-N 1 3 348.491 0.672 20 0 ECADHO Cn1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC001029904460 749535409 /nfs/dbraw/zinc/53/54/09/749535409.db2.gz WSKPGVQQWDSNMR-QGZVFWFLSA-N 1 3 346.475 0.761 20 0 ECADHO Cn1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC001029904460 749535413 /nfs/dbraw/zinc/53/54/13/749535413.db2.gz WSKPGVQQWDSNMR-QGZVFWFLSA-N 1 3 346.475 0.761 20 0 ECADHO C[C@@H]1C[C@@H](CNCc2cn(C)nn2)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000980711837 750004609 /nfs/dbraw/zinc/00/46/09/750004609.db2.gz APNFNPQPKWWEQO-ZBFHGGJFSA-N 1 3 348.495 0.874 20 0 ECADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N2CCCCC2)C1 ZINC001100900106 750019086 /nfs/dbraw/zinc/01/90/86/750019086.db2.gz QKAUIMCZRDHRGY-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC001029947272 750028622 /nfs/dbraw/zinc/02/86/22/750028622.db2.gz MMMGDYWIZSKHSK-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC001029947272 750028630 /nfs/dbraw/zinc/02/86/30/750028630.db2.gz MMMGDYWIZSKHSK-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CCC(C[N@H+](C)[C@H]3CCNC3=O)CC2)CCC1 ZINC001029970127 750146932 /nfs/dbraw/zinc/14/69/32/750146932.db2.gz MLQDQAVNAAHYFS-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CCC(C[N@@H+](C)[C@H]3CCNC3=O)CC2)CCC1 ZINC001029970127 750146935 /nfs/dbraw/zinc/14/69/35/750146935.db2.gz MLQDQAVNAAHYFS-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001005183429 750338803 /nfs/dbraw/zinc/33/88/03/750338803.db2.gz IHYHJAQBENZJGC-QGZVFWFLSA-N 1 3 333.480 0.980 20 0 ECADHO CCn1nncc1CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000986825274 750392537 /nfs/dbraw/zinc/39/25/37/750392537.db2.gz MBICJOROXBUYGX-XJKSGUPXSA-N 1 3 334.468 0.719 20 0 ECADHO CCn1cc(CC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)cn1 ZINC000987070027 750437648 /nfs/dbraw/zinc/43/76/48/750437648.db2.gz RQSPGLZWKUAQQJ-XJKSGUPXSA-N 1 3 330.436 0.990 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001167835198 750472137 /nfs/dbraw/zinc/47/21/37/750472137.db2.gz GFRGLBGUTLGADH-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1[C@H](NCc2ccnn2C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987281417 750693391 /nfs/dbraw/zinc/69/33/91/750693391.db2.gz RDIBKVPSOUSZTL-RHSMWYFYSA-N 1 3 349.479 0.610 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000981646626 750929786 /nfs/dbraw/zinc/92/97/86/750929786.db2.gz PHQKHMMHNUSTQW-FXQQTDPRSA-N 1 3 349.475 0.420 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000981646626 750929789 /nfs/dbraw/zinc/92/97/89/750929789.db2.gz PHQKHMMHNUSTQW-FXQQTDPRSA-N 1 3 349.475 0.420 20 0 ECADHO CC[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)c2cnccc2N(C)C)CC1 ZINC001006297385 751213081 /nfs/dbraw/zinc/21/30/81/751213081.db2.gz OMXNIAQVICUISH-HNNXBMFYSA-N 1 3 347.463 0.948 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(=O)[n-]c(C4CC4)n3)C2)C1 ZINC001021043795 752470878 /nfs/dbraw/zinc/47/08/78/752470878.db2.gz FOQXAWPKJSHKSO-IHRRRGAJSA-N 1 3 345.447 0.748 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(=O)[n-]c(C4CC4)n3)C2)C1 ZINC001021043795 752470885 /nfs/dbraw/zinc/47/08/85/752470885.db2.gz FOQXAWPKJSHKSO-IHRRRGAJSA-N 1 3 345.447 0.748 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000982544020 752843191 /nfs/dbraw/zinc/84/31/91/752843191.db2.gz AXNQBXNUTQTYBR-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982553996 752883525 /nfs/dbraw/zinc/88/35/25/752883525.db2.gz RCMVYNLZZKESTP-STEAMIEHSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982553996 752883534 /nfs/dbraw/zinc/88/35/34/752883534.db2.gz RCMVYNLZZKESTP-STEAMIEHSA-N 1 3 348.491 0.530 20 0 ECADHO CO[C@@H](C)CN1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008829803 754169597 /nfs/dbraw/zinc/16/95/97/754169597.db2.gz UAGYBVJWRAITFG-GOEBONIOSA-N 1 3 337.468 0.674 20 0 ECADHO CCN1CC[C@H](N2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028657241 754329139 /nfs/dbraw/zinc/32/91/39/754329139.db2.gz XPWCFQAWKYDGQW-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001168335401 754629231 /nfs/dbraw/zinc/62/92/31/754629231.db2.gz HOUKLUHWDSRQCJ-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N(C)C ZINC001009269442 754726022 /nfs/dbraw/zinc/72/60/22/754726022.db2.gz RZSWOPCXKLJFKX-LVQVYYBASA-N 1 3 348.491 0.243 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983306951 755121083 /nfs/dbraw/zinc/12/10/83/755121083.db2.gz VMMJEOUHXAEVQQ-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001030021650 755734644 /nfs/dbraw/zinc/73/46/44/755734644.db2.gz PZKHIYUZXIDLFX-JYJNAYRXSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076242860 756271152 /nfs/dbraw/zinc/27/11/52/756271152.db2.gz UTADYUQURAFXPU-BPQIPLTHSA-N 1 3 345.491 0.837 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076242860 756271157 /nfs/dbraw/zinc/27/11/57/756271157.db2.gz UTADYUQURAFXPU-BPQIPLTHSA-N 1 3 345.491 0.837 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2ccnn2C)C1 ZINC001051612292 762468287 /nfs/dbraw/zinc/46/82/87/762468287.db2.gz QOLZHBCLTKBWOU-SJORKVTESA-N 1 3 349.479 0.610 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2ccnn2C)C1 ZINC001051612292 762468292 /nfs/dbraw/zinc/46/82/92/762468292.db2.gz QOLZHBCLTKBWOU-SJORKVTESA-N 1 3 349.479 0.610 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001010727005 756448770 /nfs/dbraw/zinc/44/87/70/756448770.db2.gz BUWJBEMSJJOEFF-HOTGVXAUSA-N 1 3 334.464 0.093 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001076628596 756750076 /nfs/dbraw/zinc/75/00/76/756750076.db2.gz UOUYJEMBFRCAPE-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624565 762502185 /nfs/dbraw/zinc/50/21/85/762502185.db2.gz RMPINCRAIFPQIO-DJIMGWMZSA-N 1 3 349.479 0.386 20 0 ECADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624565 762502188 /nfs/dbraw/zinc/50/21/88/762502188.db2.gz RMPINCRAIFPQIO-DJIMGWMZSA-N 1 3 349.479 0.386 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001011158892 757058944 /nfs/dbraw/zinc/05/89/44/757058944.db2.gz IIIFOSPPKJOTRS-HNNXBMFYSA-N 1 3 336.480 0.341 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001011158892 757058949 /nfs/dbraw/zinc/05/89/49/757058949.db2.gz IIIFOSPPKJOTRS-HNNXBMFYSA-N 1 3 336.480 0.341 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001048815662 757085569 /nfs/dbraw/zinc/08/55/69/757085569.db2.gz NDHWRTXOXHKNIZ-XUWVNRHRSA-N 1 3 336.480 0.513 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001048815662 757085573 /nfs/dbraw/zinc/08/55/73/757085573.db2.gz NDHWRTXOXHKNIZ-XUWVNRHRSA-N 1 3 336.480 0.513 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829484 757129463 /nfs/dbraw/zinc/12/94/63/757129463.db2.gz PEEVPHUOCGKMKS-NRSFXHEJSA-N 1 3 345.491 0.959 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829484 757129467 /nfs/dbraw/zinc/12/94/67/757129467.db2.gz PEEVPHUOCGKMKS-NRSFXHEJSA-N 1 3 345.491 0.959 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN([C@@H](CC)C(N)=O)C[C@H]2C1 ZINC001048849089 757176299 /nfs/dbraw/zinc/17/62/99/757176299.db2.gz AEEDGYKWNYNLBJ-XUWVNRHRSA-N 1 3 336.480 0.515 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN([C@@H](CC)C(N)=O)C[C@H]2C1 ZINC001048849089 757176301 /nfs/dbraw/zinc/17/63/01/757176301.db2.gz AEEDGYKWNYNLBJ-XUWVNRHRSA-N 1 3 336.480 0.515 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001048876302 757260235 /nfs/dbraw/zinc/26/02/35/757260235.db2.gz UQHIZJHMXOLFOX-QXSJWSMHSA-N 1 3 336.480 0.241 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001048876302 757260242 /nfs/dbraw/zinc/26/02/42/757260242.db2.gz UQHIZJHMXOLFOX-QXSJWSMHSA-N 1 3 336.480 0.241 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@H]([NH2+]CCn3cncn3)C(C)(C)C2)C1 ZINC000996309741 757333448 /nfs/dbraw/zinc/33/34/48/757333448.db2.gz KMSFSIHUHNGATH-HNNXBMFYSA-N 1 3 348.495 0.837 20 0 ECADHO Cn1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)cc1=O ZINC000996353641 757453136 /nfs/dbraw/zinc/45/31/36/757453136.db2.gz BJFSPQHUQKMUGE-HNNXBMFYSA-N 1 3 343.431 0.678 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001049025239 757729727 /nfs/dbraw/zinc/72/97/27/757729727.db2.gz PUSNGUVLGYZSQK-BMFZPTHFSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H](C1CC1)N(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001076956373 757742575 /nfs/dbraw/zinc/74/25/75/757742575.db2.gz MEXBSEHNZINLAO-DZGCQCFKSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)C[C@@H]3C2)C1 ZINC001049058620 757815440 /nfs/dbraw/zinc/81/54/40/757815440.db2.gz GWIXMFLMFMEHRY-ZACQAIPSSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)C[C@@H]3C2)C1 ZINC001049058620 757815447 /nfs/dbraw/zinc/81/54/47/757815447.db2.gz GWIXMFLMFMEHRY-ZACQAIPSSA-N 1 3 348.491 0.341 20 0 ECADHO Cc1nn(C)cc1C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059522 757821090 /nfs/dbraw/zinc/82/10/90/757821090.db2.gz SNVDOUHVYLQPNZ-JCGIZDLHSA-N 1 3 345.491 0.961 20 0 ECADHO Cc1nn(C)cc1C[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059522 757821102 /nfs/dbraw/zinc/82/11/02/757821102.db2.gz SNVDOUHVYLQPNZ-JCGIZDLHSA-N 1 3 345.491 0.961 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2C1)N(C)C ZINC001049065770 757857491 /nfs/dbraw/zinc/85/74/91/757857491.db2.gz WYRXHRNYZHJCPC-BBWFWOEESA-N 1 3 333.480 0.693 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2C1)N(C)C ZINC001049065770 757857497 /nfs/dbraw/zinc/85/74/97/757857497.db2.gz WYRXHRNYZHJCPC-BBWFWOEESA-N 1 3 333.480 0.693 20 0 ECADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCC(=O)N1CCC1 ZINC000996518694 757928027 /nfs/dbraw/zinc/92/80/27/757928027.db2.gz GHWDDZSJRPPPPM-AWEZNQCLSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001077021247 757959060 /nfs/dbraw/zinc/95/90/60/757959060.db2.gz RMCMRCOZOQNCBL-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049171156 758211549 /nfs/dbraw/zinc/21/15/49/758211549.db2.gz MGVLEZXBFNPBAC-XUWVNRHRSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049171156 758211556 /nfs/dbraw/zinc/21/15/56/758211556.db2.gz MGVLEZXBFNPBAC-XUWVNRHRSA-N 1 3 336.480 0.195 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022090261 758262985 /nfs/dbraw/zinc/26/29/85/758262985.db2.gz WGCVFGXFIGFFQE-XHSDSOJGSA-N 1 3 346.479 0.685 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H](NCc3ccccn3)C2)n1 ZINC001022097131 758271123 /nfs/dbraw/zinc/27/11/23/758271123.db2.gz OWEGJFSLUYJMCQ-IYBDPMFKSA-N 1 3 342.447 0.890 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001022120368 758303532 /nfs/dbraw/zinc/30/35/32/758303532.db2.gz LZDKJHTTXKWPKN-VVLHAWIVSA-N 1 3 337.464 0.513 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121023 758304598 /nfs/dbraw/zinc/30/45/98/758304598.db2.gz WEXSSFOXPGEFBZ-CTASWTNQSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022121023 758304608 /nfs/dbraw/zinc/30/46/08/758304608.db2.gz WEXSSFOXPGEFBZ-CTASWTNQSA-N 1 3 334.420 0.583 20 0 ECADHO Cn1nccc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001022121205 758307336 /nfs/dbraw/zinc/30/73/36/758307336.db2.gz ZYQUSOLMAYGVTQ-FSDCSDTHSA-N 1 3 347.463 0.063 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001051660788 762620140 /nfs/dbraw/zinc/62/01/40/762620140.db2.gz DQVGQVHDFYLTLO-RDJZCZTQSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001051660788 762620141 /nfs/dbraw/zinc/62/01/41/762620141.db2.gz DQVGQVHDFYLTLO-RDJZCZTQSA-N 1 3 349.479 0.612 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C)N(C)C ZINC001077151063 758351702 /nfs/dbraw/zinc/35/17/02/758351702.db2.gz BXNTYZKGYCIGSS-RRFJBIMHSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C)N(C)C ZINC001077151063 758351713 /nfs/dbraw/zinc/35/17/13/758351713.db2.gz BXNTYZKGYCIGSS-RRFJBIMHSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@H]2C1 ZINC001049231661 758391668 /nfs/dbraw/zinc/39/16/68/758391668.db2.gz IJDUAXBBEYNADW-GEEKYZPCSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@H]2C1 ZINC001049231661 758391678 /nfs/dbraw/zinc/39/16/78/758391678.db2.gz IJDUAXBBEYNADW-GEEKYZPCSA-N 1 3 336.480 0.338 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000996676400 758445707 /nfs/dbraw/zinc/44/57/07/758445707.db2.gz NGKRUQNLLYAQPH-JKSUJKDBSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H](NC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1nncn1C ZINC000996680195 758455112 /nfs/dbraw/zinc/45/51/12/758455112.db2.gz UGTMAOXFYGUAMX-IUODEOHRSA-N 1 3 334.468 0.797 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000996693710 758491957 /nfs/dbraw/zinc/49/19/57/758491957.db2.gz QQVZEOMBKJUDRV-CVEARBPZSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1)N(C)C ZINC000996698496 758511631 /nfs/dbraw/zinc/51/16/31/758511631.db2.gz WQYIUZOLODACRN-RDJZCZTQSA-N 1 3 348.495 0.932 20 0 ECADHO CN(C)C1(C(=O)NCC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001060320602 762637803 /nfs/dbraw/zinc/63/78/03/762637803.db2.gz WSWPJYXWPIYIRH-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022452472 758743483 /nfs/dbraw/zinc/74/34/83/758743483.db2.gz MWLGAVJFWQJILS-AMBDVVEUSA-N 1 3 349.475 0.513 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC001022841143 759162968 /nfs/dbraw/zinc/16/29/68/759162968.db2.gz DHQWENRVCKWLDG-IJEWVQPXSA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC001022841143 759162972 /nfs/dbraw/zinc/16/29/72/759162972.db2.gz DHQWENRVCKWLDG-IJEWVQPXSA-N 1 3 345.447 0.353 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001022855778 759188540 /nfs/dbraw/zinc/18/85/40/759188540.db2.gz GQPMSNZHZNGKCR-IYBDPMFKSA-N 1 3 342.447 0.927 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001050100324 759701887 /nfs/dbraw/zinc/70/18/87/759701887.db2.gz ZCMNMEJZIVPCGS-RWBIUQBRSA-N 1 3 349.475 0.155 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001050100324 759701893 /nfs/dbraw/zinc/70/18/93/759701893.db2.gz ZCMNMEJZIVPCGS-RWBIUQBRSA-N 1 3 349.475 0.155 20 0 ECADHO C[C@H](NCc1nncn1C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047971100 759756433 /nfs/dbraw/zinc/75/64/33/759756433.db2.gz BSWPXVPXSGYDBG-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1nncn1C)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047971100 759756436 /nfs/dbraw/zinc/75/64/36/759756436.db2.gz BSWPXVPXSGYDBG-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO Cc1nnc(CN[C@H](C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC001048037552 759867098 /nfs/dbraw/zinc/86/70/98/759867098.db2.gz INXIJRJJFDUJHU-OCCSQVGLSA-N 1 3 332.452 0.536 20 0 ECADHO CCn1nncc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058818 759898733 /nfs/dbraw/zinc/89/87/33/759898733.db2.gz KEDKPXPXKILBGB-GJZGRUSLSA-N 1 3 334.468 0.720 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001050202739 759933283 /nfs/dbraw/zinc/93/32/83/759933283.db2.gz SAQIRFYLEPZGND-HRCADAONSA-N 1 3 332.452 0.153 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001050202739 759933287 /nfs/dbraw/zinc/93/32/87/759933287.db2.gz SAQIRFYLEPZGND-HRCADAONSA-N 1 3 332.452 0.153 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050236593 760021746 /nfs/dbraw/zinc/02/17/46/760021746.db2.gz RHMKPZQGKBTAIE-GOEBONIOSA-N 1 3 347.463 0.790 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050520764 760419065 /nfs/dbraw/zinc/41/90/65/760419065.db2.gz JRVBAFBDNOKEJV-HZPDHXFCSA-N 1 3 348.491 0.517 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050539987 760457222 /nfs/dbraw/zinc/45/72/22/760457222.db2.gz XOBYTKCVJHRMFN-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050539987 760457228 /nfs/dbraw/zinc/45/72/28/760457228.db2.gz XOBYTKCVJHRMFN-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2)C1CC1 ZINC001050545933 760466770 /nfs/dbraw/zinc/46/67/70/760466770.db2.gz IEOMSDBYZJWEDS-GJZGRUSLSA-N 1 3 334.464 0.140 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050598742 760551398 /nfs/dbraw/zinc/55/13/98/760551398.db2.gz SWTKJWLHSGIJNJ-KOHRHEQBSA-N 1 3 349.475 0.156 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+]([C@H]2CCCNC2=O)CC3)C1 ZINC001050662568 760638112 /nfs/dbraw/zinc/63/81/12/760638112.db2.gz KQLKMQDABSUVKI-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)C1 ZINC001050662568 760638117 /nfs/dbraw/zinc/63/81/17/760638117.db2.gz KQLKMQDABSUVKI-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)C1 ZINC001050662568 760638119 /nfs/dbraw/zinc/63/81/19/760638119.db2.gz KQLKMQDABSUVKI-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+]([C@@H]2CCCNC2=O)CC3)C1 ZINC001050662570 760638527 /nfs/dbraw/zinc/63/85/27/760638527.db2.gz KQLKMQDABSUVKI-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050662570 760638531 /nfs/dbraw/zinc/63/85/31/760638531.db2.gz KQLKMQDABSUVKI-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050662570 760638535 /nfs/dbraw/zinc/63/85/35/760638535.db2.gz KQLKMQDABSUVKI-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048526093 760661893 /nfs/dbraw/zinc/66/18/93/760661893.db2.gz OGKZYIOMFBEXJD-MAURAIGZSA-N 1 3 348.491 0.561 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001048525360 760661953 /nfs/dbraw/zinc/66/19/53/760661953.db2.gz DJNLHUJNNOTFLB-ORQFMDKSSA-N 1 3 348.491 0.433 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCc1ccccc1 ZINC001127066199 760685244 /nfs/dbraw/zinc/68/52/44/760685244.db2.gz JVXMPVUNRVZJRA-KRWDZBQOSA-N 1 3 346.475 0.881 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCc1ccccc1 ZINC001127066199 760685253 /nfs/dbraw/zinc/68/52/53/760685253.db2.gz JVXMPVUNRVZJRA-KRWDZBQOSA-N 1 3 346.475 0.881 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050801274 760879350 /nfs/dbraw/zinc/87/93/50/760879350.db2.gz ZIVWYZQTOQKENE-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000991428828 760893696 /nfs/dbraw/zinc/89/36/96/760893696.db2.gz SBLGLGYKVFGRFG-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000991428828 760893712 /nfs/dbraw/zinc/89/37/12/760893712.db2.gz SBLGLGYKVFGRFG-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC001017464169 768011967 /nfs/dbraw/zinc/01/19/67/768011967.db2.gz DMIXYZZYPVGECJ-SJORKVTESA-N 1 3 348.491 0.553 20 0 ECADHO CN(C)[C@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC001017464169 768011975 /nfs/dbraw/zinc/01/19/75/768011975.db2.gz DMIXYZZYPVGECJ-SJORKVTESA-N 1 3 348.491 0.553 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCO[C@@H](C[NH2+]CC2CCC2)C1 ZINC001051722568 762796516 /nfs/dbraw/zinc/79/65/16/762796516.db2.gz OKAWHHCQBFXINK-DHADLLTHSA-N 1 3 349.475 0.467 20 0 ECADHO CC(C)(C(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1)N1CCCC1 ZINC001051749653 762869895 /nfs/dbraw/zinc/86/98/95/762869895.db2.gz HVPCJPJHIVQSFL-JKSUJKDBSA-N 1 3 339.480 0.714 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCO[C@H](CNCc3cncs3)C2)CC1 ZINC001051797677 762989698 /nfs/dbraw/zinc/98/96/98/762989698.db2.gz DEXDDPWUFLUHFW-CQSZACIVSA-N 1 3 338.477 0.802 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CCO1 ZINC001051825913 763058928 /nfs/dbraw/zinc/05/89/28/763058928.db2.gz XMZIAIILNXECNS-PBHICJAKSA-N 1 3 349.479 0.387 20 0 ECADHO Cn1nccc1CCN1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776926 763107399 /nfs/dbraw/zinc/10/73/99/763107399.db2.gz MHCNTVFEACITPZ-KRWDZBQOSA-N 1 3 331.464 0.639 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051902208 763277239 /nfs/dbraw/zinc/27/72/39/763277239.db2.gz XVKRHIDUEPBYFV-GOEBONIOSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051902208 763277251 /nfs/dbraw/zinc/27/72/51/763277251.db2.gz XVKRHIDUEPBYFV-GOEBONIOSA-N 1 3 335.452 0.079 20 0 ECADHO O=C(NC[C@H]1CN(CCCO)CCC1(F)F)[C@H]1C[NH+]2CCC1CC2 ZINC001046938782 763422510 /nfs/dbraw/zinc/42/25/10/763422510.db2.gz GEFWFPDDLQWNRE-GJZGRUSLSA-N 1 3 345.434 0.784 20 0 ECADHO O=C(c1ccn2c[nH+]cc2c1)N1CC[C@@H](N2CCN(CCO)CC2)C1 ZINC001052047269 763689628 /nfs/dbraw/zinc/68/96/28/763689628.db2.gz KSUBNBOQRPQQIK-MRXNPFEDSA-N 1 3 343.431 0.159 20 0 ECADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C)C(N)=O ZINC001106336388 768159554 /nfs/dbraw/zinc/15/95/54/768159554.db2.gz LOWINMZNFFLEAU-MCIONIFRSA-N 1 3 326.485 0.665 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC001106339798 768165266 /nfs/dbraw/zinc/16/52/66/768165266.db2.gz AQJBFEOBZQRNRM-RBSFLKMASA-N 1 3 329.485 0.408 20 0 ECADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047482687 764479852 /nfs/dbraw/zinc/47/98/52/764479852.db2.gz GSTKFALZRSAGPV-JYJNAYRXSA-N 1 3 339.480 0.401 20 0 ECADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047482687 764479860 /nfs/dbraw/zinc/47/98/60/764479860.db2.gz GSTKFALZRSAGPV-JYJNAYRXSA-N 1 3 339.480 0.401 20 0 ECADHO O=C(N[C@H]1CCCN([C@@H]2CCCNC2=O)CC1)C12CCC[NH+]1CCC2 ZINC001052527191 764694487 /nfs/dbraw/zinc/69/44/87/764694487.db2.gz SRERSVIYNKCJNA-JKSUJKDBSA-N 1 3 348.491 0.864 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(CCc2cccs2)C[C@@H]1O ZINC001047627980 764927013 /nfs/dbraw/zinc/92/70/13/764927013.db2.gz AYELGFHSPQZLLL-KBMXLJTQSA-N 1 3 337.489 0.746 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CCc2cccs2)C[C@@H]1O ZINC001047627980 764927018 /nfs/dbraw/zinc/92/70/18/764927018.db2.gz AYELGFHSPQZLLL-KBMXLJTQSA-N 1 3 337.489 0.746 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC001052716792 765037799 /nfs/dbraw/zinc/03/77/99/765037799.db2.gz PMYFXVJUISZEPN-JKSUJKDBSA-N 1 3 334.468 0.733 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052716792 765037801 /nfs/dbraw/zinc/03/78/01/765037801.db2.gz PMYFXVJUISZEPN-JKSUJKDBSA-N 1 3 334.468 0.733 20 0 ECADHO C[C@H](F)CCN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826197 765389480 /nfs/dbraw/zinc/38/94/80/765389480.db2.gz BUVDLCKHCLWHJV-ZFWWWQNUSA-N 1 3 325.432 0.997 20 0 ECADHO COCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C[C@H](C)OC)CC1 ZINC001052984673 765459918 /nfs/dbraw/zinc/45/99/18/765459918.db2.gz TVYDQXHXYPZEGH-BHYGNILZSA-N 1 3 339.480 0.807 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001053115136 765601053 /nfs/dbraw/zinc/60/10/53/765601053.db2.gz NYBDUGDPLSMFJK-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001053115136 765601056 /nfs/dbraw/zinc/60/10/56/765601056.db2.gz NYBDUGDPLSMFJK-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001053349519 766012293 /nfs/dbraw/zinc/01/22/93/766012293.db2.gz BXOJZPHNUDIHHA-GJZGRUSLSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(=O)N1CCCC1 ZINC001054854766 768340965 /nfs/dbraw/zinc/34/09/65/768340965.db2.gz XTGWETRIKHSEIJ-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016324775 766114185 /nfs/dbraw/zinc/11/41/85/766114185.db2.gz AKWCSOSVYVHOFP-NRXISQOPSA-N 1 3 334.464 0.282 20 0 ECADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001053437555 766133374 /nfs/dbraw/zinc/13/33/74/766133374.db2.gz QUMMDMUOIFMARJ-CVEARBPZSA-N 1 3 340.512 0.881 20 0 ECADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001053437555 766133376 /nfs/dbraw/zinc/13/33/76/766133376.db2.gz QUMMDMUOIFMARJ-CVEARBPZSA-N 1 3 340.512 0.881 20 0 ECADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001053502947 766247917 /nfs/dbraw/zinc/24/79/17/766247917.db2.gz FWVIMAXRGTYHOU-LSDHHAIUSA-N 1 3 349.479 0.895 20 0 ECADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001053502947 766247918 /nfs/dbraw/zinc/24/79/18/766247918.db2.gz FWVIMAXRGTYHOU-LSDHHAIUSA-N 1 3 349.479 0.895 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC[N@@H+]1C ZINC000992393144 766466194 /nfs/dbraw/zinc/46/61/94/766466194.db2.gz PEVJWSZTRUJAMA-ARFHVFGLSA-N 1 3 338.496 0.630 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC[N@H+]1C ZINC000992393144 766466198 /nfs/dbraw/zinc/46/61/98/766466198.db2.gz PEVJWSZTRUJAMA-ARFHVFGLSA-N 1 3 338.496 0.630 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(CCN2CCNC2=O)CC3)C1 ZINC000992510856 766747186 /nfs/dbraw/zinc/74/71/86/766747186.db2.gz YARBEJPZIFKGQW-DAYGRLMNSA-N 1 3 349.479 0.077 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(CCN2CCNC2=O)CC3)C1 ZINC000992510856 766747191 /nfs/dbraw/zinc/74/71/91/766747191.db2.gz YARBEJPZIFKGQW-DAYGRLMNSA-N 1 3 349.479 0.077 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(C2CC2)C2CC2)CC[N@@H+]1C ZINC001127638201 767363478 /nfs/dbraw/zinc/36/34/78/767363478.db2.gz GYXYEERKALCMSK-IUODEOHRSA-N 1 3 336.480 0.337 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(C2CC2)C2CC2)CC[N@H+]1C ZINC001127638201 767363486 /nfs/dbraw/zinc/36/34/86/767363486.db2.gz GYXYEERKALCMSK-IUODEOHRSA-N 1 3 336.480 0.337 20 0 ECADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N1CCC(C)CC1 ZINC001127643708 767389149 /nfs/dbraw/zinc/38/91/49/767389149.db2.gz HRJCEPMDCHANQU-ARFHVFGLSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N1CCC(C)CC1 ZINC001127643708 767389157 /nfs/dbraw/zinc/38/91/57/767389157.db2.gz HRJCEPMDCHANQU-ARFHVFGLSA-N 1 3 338.496 0.679 20 0 ECADHO Cn1nncc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC000992833963 767662810 /nfs/dbraw/zinc/66/28/10/767662810.db2.gz MMJDHPHAMQOWQI-UHOFOFEASA-N 1 3 343.435 0.498 20 0 ECADHO C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1NCC(N)=O ZINC001054929695 768436154 /nfs/dbraw/zinc/43/61/54/768436154.db2.gz HCJNIQRIVTUJTB-CZUORRHYSA-N 1 3 332.448 0.326 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106634990 768530267 /nfs/dbraw/zinc/53/02/67/768530267.db2.gz RQMQBCPFWNJGRW-BFYDXBDKSA-N 1 3 340.512 0.735 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001106666792 768579676 /nfs/dbraw/zinc/57/96/76/768579676.db2.gz VUIKSEZDMFUCRZ-RRFJBIMHSA-N 1 3 336.480 0.291 20 0 ECADHO CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705141 768694056 /nfs/dbraw/zinc/69/40/56/768694056.db2.gz TZGINAWOXMUMAP-HZSPNIEDSA-N 1 3 335.452 0.551 20 0 ECADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)NC(C)(C)C ZINC001106705053 768694597 /nfs/dbraw/zinc/69/45/97/768694597.db2.gz PKRSRBBFWOOKJJ-MGPQQGTHSA-N 1 3 349.479 0.940 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC001106784267 768951279 /nfs/dbraw/zinc/95/12/79/768951279.db2.gz FBNNKBHDCMZOLY-QLFBSQMISA-N 1 3 326.485 0.489 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000993813813 769667849 /nfs/dbraw/zinc/66/78/49/769667849.db2.gz FFSYCHIMUQPYQP-BMFZPTHFSA-N 1 3 336.480 0.528 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000993813813 769667851 /nfs/dbraw/zinc/66/78/51/769667851.db2.gz FFSYCHIMUQPYQP-BMFZPTHFSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001018627299 769675675 /nfs/dbraw/zinc/67/56/75/769675675.db2.gz FCCHNJXRGNQGMQ-HOTGVXAUSA-N 1 3 330.432 0.570 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001018637407 769693510 /nfs/dbraw/zinc/69/35/10/769693510.db2.gz YMAAWBRKDZSTDC-UONOGXRCSA-N 1 3 325.844 0.821 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000993961971 769900487 /nfs/dbraw/zinc/90/04/87/769900487.db2.gz VNSPBJNTGUOZBV-IAGOWNOFSA-N 1 3 348.491 0.815 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000993961971 769900492 /nfs/dbraw/zinc/90/04/92/769900492.db2.gz VNSPBJNTGUOZBV-IAGOWNOFSA-N 1 3 348.491 0.815 20 0 ECADHO CN(CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)C1CCC1 ZINC001018972693 770437609 /nfs/dbraw/zinc/43/76/09/770437609.db2.gz JZJIRNUIRINXGS-KBPBESRZSA-N 1 3 343.493 0.096 20 0 ECADHO Cn1cc(CN[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)cn1 ZINC001019023203 770590376 /nfs/dbraw/zinc/59/03/76/770590376.db2.gz DITORIMKQZMXKF-INIZCTEOSA-N 1 3 331.464 0.987 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)N(C)C ZINC001019032316 770608638 /nfs/dbraw/zinc/60/86/38/770608638.db2.gz POSIVKMWINNJMD-LSDHHAIUSA-N 1 3 345.509 0.342 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCc3cncn3C)C2)CC[N@@H+]1C ZINC001078405516 782884766 /nfs/dbraw/zinc/88/47/66/782884766.db2.gz PQLUBQXVPMHXKM-HYVNUMGLSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCc3cncn3C)C2)CC[N@H+]1C ZINC001078405516 782884768 /nfs/dbraw/zinc/88/47/68/782884768.db2.gz PQLUBQXVPMHXKM-HYVNUMGLSA-N 1 3 349.479 0.467 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001019241543 771049152 /nfs/dbraw/zinc/04/91/52/771049152.db2.gz HVJNGPABTKPVEA-QLFBSQMISA-N 1 3 343.493 0.096 20 0 ECADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CN(C(C)C)CCO3)C2)on1 ZINC001019285136 771101883 /nfs/dbraw/zinc/10/18/83/771101883.db2.gz CBEAXVNRRNLUNE-GOEBONIOSA-N 1 3 336.436 0.783 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)C2 ZINC001019443576 771295832 /nfs/dbraw/zinc/29/58/32/771295832.db2.gz SICDCYODXRIWEG-UKRRQHHQSA-N 1 3 345.447 0.211 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)C2 ZINC001019443576 771295835 /nfs/dbraw/zinc/29/58/35/771295835.db2.gz SICDCYODXRIWEG-UKRRQHHQSA-N 1 3 345.447 0.211 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056559189 771380618 /nfs/dbraw/zinc/38/06/18/771380618.db2.gz KKIOXICNQPRKPD-HOTGVXAUSA-N 1 3 347.463 0.886 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056559189 771380623 /nfs/dbraw/zinc/38/06/23/771380623.db2.gz KKIOXICNQPRKPD-HOTGVXAUSA-N 1 3 347.463 0.886 20 0 ECADHO C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH]cn1 ZINC001056572083 771392955 /nfs/dbraw/zinc/39/29/55/771392955.db2.gz FFWHUXCRZABEHW-HOTGVXAUSA-N 1 3 347.463 0.886 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH]cn1 ZINC001056572614 771393519 /nfs/dbraw/zinc/39/35/19/771393519.db2.gz LWAADJIWUQZTFQ-HZPDHXFCSA-N 1 3 347.463 0.886 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH]cn1 ZINC001056572614 771393523 /nfs/dbraw/zinc/39/35/23/771393523.db2.gz LWAADJIWUQZTFQ-HZPDHXFCSA-N 1 3 347.463 0.886 20 0 ECADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001019574691 771514920 /nfs/dbraw/zinc/51/49/20/771514920.db2.gz OJCIHEXKFYSJMF-INIZCTEOSA-N 1 3 349.479 0.530 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001019593285 771560701 /nfs/dbraw/zinc/56/07/01/771560701.db2.gz SMAMYFYRCVPHKT-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001019652076 771668744 /nfs/dbraw/zinc/66/87/44/771668744.db2.gz HLNJLARFZAYSHG-HOCLYGCPSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001019652076 771668748 /nfs/dbraw/zinc/66/87/48/771668748.db2.gz HLNJLARFZAYSHG-HOCLYGCPSA-N 1 3 347.463 0.826 20 0 ECADHO CN1CCC[C@H](N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001019815429 771830520 /nfs/dbraw/zinc/83/05/20/771830520.db2.gz FKYRFLSRXHDBKZ-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179020 772250089 /nfs/dbraw/zinc/25/00/89/772250089.db2.gz LDFPNVPAQJYADA-KLHDSHLOSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020179020 772250091 /nfs/dbraw/zinc/25/00/91/772250091.db2.gz LDFPNVPAQJYADA-KLHDSHLOSA-N 1 3 334.420 0.583 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001020179339 772251901 /nfs/dbraw/zinc/25/19/01/772251901.db2.gz XTGCJVBBZUBPJO-VQHPVUNQSA-N 1 3 330.432 0.682 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2CC)C1 ZINC001020214544 772296207 /nfs/dbraw/zinc/29/62/07/772296207.db2.gz WKYZAUZPQNNKKT-IIAWOOMASA-N 1 3 334.468 0.909 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2CC)C1 ZINC001020214544 772296210 /nfs/dbraw/zinc/29/62/10/772296210.db2.gz WKYZAUZPQNNKKT-IIAWOOMASA-N 1 3 334.468 0.909 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC[C@H]1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001078465896 782998889 /nfs/dbraw/zinc/99/88/89/782998889.db2.gz MYMFSFOISVMBDE-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001020286081 772400111 /nfs/dbraw/zinc/40/01/11/772400111.db2.gz RVENDPBBBXDAOL-HDJSIYSDSA-N 1 3 332.452 0.428 20 0 ECADHO Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc3cnn(C)c3)C1)CC2 ZINC001020317050 772437715 /nfs/dbraw/zinc/43/77/15/772437715.db2.gz XTTBVONFIWEHIF-KKUMJFAQSA-N 1 3 342.447 0.994 20 0 ECADHO Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc3cnn(C)c3)C1)C2 ZINC001020317050 772437719 /nfs/dbraw/zinc/43/77/19/772437719.db2.gz XTTBVONFIWEHIF-KKUMJFAQSA-N 1 3 342.447 0.994 20 0 ECADHO Cc1nc2c([nH]1)C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn3cccn3)C1)CC2 ZINC001020316636 772438023 /nfs/dbraw/zinc/43/80/23/772438023.db2.gz QCIZPEMMKFJITC-RBSFLKMASA-N 1 3 342.447 0.957 20 0 ECADHO Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn3cccn3)C1)C2 ZINC001020316636 772438027 /nfs/dbraw/zinc/43/80/27/772438027.db2.gz QCIZPEMMKFJITC-RBSFLKMASA-N 1 3 342.447 0.957 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406947 772551266 /nfs/dbraw/zinc/55/12/66/772551266.db2.gz GZCDADAEJUFTTR-OQTSANLDSA-N 1 3 335.448 0.123 20 0 ECADHO CC[C@@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001040641626 783161414 /nfs/dbraw/zinc/16/14/14/783161414.db2.gz SFQNHVQAVQYOHL-GJZGRUSLSA-N 1 3 336.480 0.659 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)CC1 ZINC001070015421 790330877 /nfs/dbraw/zinc/33/08/77/790330877.db2.gz XWHOELGFHVWEQV-CVEARBPZSA-N 1 3 332.452 0.371 20 0 ECADHO COc1ncc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001045308365 775374999 /nfs/dbraw/zinc/37/49/99/775374999.db2.gz DBEOHRCAZKXDOX-ZBFHGGJFSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001045308365 775375010 /nfs/dbraw/zinc/37/50/10/775375010.db2.gz DBEOHRCAZKXDOX-ZBFHGGJFSA-N 1 3 347.463 0.826 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045321252 775408857 /nfs/dbraw/zinc/40/88/57/775408857.db2.gz IUYUVGBTEDOSCW-HOCLYGCPSA-N 1 3 334.468 0.770 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045321252 775408863 /nfs/dbraw/zinc/40/88/63/775408863.db2.gz IUYUVGBTEDOSCW-HOCLYGCPSA-N 1 3 334.468 0.770 20 0 ECADHO CC1(NC(=O)[C@H]2CN3CCC[C@H]3CO2)CC[NH+](CCCO)CC1 ZINC001045444787 775618447 /nfs/dbraw/zinc/61/84/47/775618447.db2.gz WICWSYRKSMTWAB-LSDHHAIUSA-N 1 3 325.453 0.203 20 0 ECADHO COCC[NH+]1CCC(C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001045505753 775711569 /nfs/dbraw/zinc/71/15/69/775711569.db2.gz BDXSLVXQALPYNG-CSLYMUCUSA-N 1 3 337.464 0.467 20 0 ECADHO CC1(NC(=O)C23CC[NH+](CC2)C3)CCN(CCN2CCNC2=O)CC1 ZINC001045621706 775905532 /nfs/dbraw/zinc/90/55/32/775905532.db2.gz QDWJIVHDXKUOOE-UHFFFAOYSA-N 1 3 349.479 0.078 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001079807261 776911159 /nfs/dbraw/zinc/91/11/59/776911159.db2.gz PQRYVBBMHAKVIR-HOCLYGCPSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001079807261 776911162 /nfs/dbraw/zinc/91/11/62/776911162.db2.gz PQRYVBBMHAKVIR-HOCLYGCPSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001079816372 776929949 /nfs/dbraw/zinc/92/99/49/776929949.db2.gz CAVUTNMWBOFYLG-HOCLYGCPSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001079816372 776929952 /nfs/dbraw/zinc/92/99/52/776929952.db2.gz CAVUTNMWBOFYLG-HOCLYGCPSA-N 1 3 338.496 0.585 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)[C@@H](C2CC2)[NH+](C)C)C1)N(C)C ZINC001079945587 777126228 /nfs/dbraw/zinc/12/62/28/777126228.db2.gz QDSLQELAWGVCFC-JKSUJKDBSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001080143771 777460715 /nfs/dbraw/zinc/46/07/15/777460715.db2.gz ADLRISFQZULBGG-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001080147456 777465298 /nfs/dbraw/zinc/46/52/98/777465298.db2.gz AAUPDRVWFZBRGS-INIZCTEOSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)[C@@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001080189313 777522727 /nfs/dbraw/zinc/52/27/27/777522727.db2.gz NSHYHZNLSROJQG-JKSUJKDBSA-N 1 3 340.512 0.972 20 0 ECADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001080533328 777973937 /nfs/dbraw/zinc/97/39/37/777973937.db2.gz AIUVYDNCOFWWQA-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001080533328 777973942 /nfs/dbraw/zinc/97/39/42/777973942.db2.gz AIUVYDNCOFWWQA-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001080557958 778025685 /nfs/dbraw/zinc/02/56/85/778025685.db2.gz IWEKUVUBTCHDPZ-HOCLYGCPSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001080557958 778025695 /nfs/dbraw/zinc/02/56/95/778025695.db2.gz IWEKUVUBTCHDPZ-HOCLYGCPSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001080557956 778026366 /nfs/dbraw/zinc/02/63/66/778026366.db2.gz IWEKUVUBTCHDPZ-GDBMZVCRSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001080557956 778026369 /nfs/dbraw/zinc/02/63/69/778026369.db2.gz IWEKUVUBTCHDPZ-GDBMZVCRSA-N 1 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CNC(=O)CN1CC[C@@]2(CCN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001041607276 781840978 /nfs/dbraw/zinc/84/09/78/781840978.db2.gz WSTYXDBANBEHRZ-GOSISDBHSA-N 1 3 348.447 0.625 20 0 ECADHO CNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001041607276 781840986 /nfs/dbraw/zinc/84/09/86/781840986.db2.gz WSTYXDBANBEHRZ-GOSISDBHSA-N 1 3 348.447 0.625 20 0 ECADHO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001041607276 781840993 /nfs/dbraw/zinc/84/09/93/781840993.db2.gz WSTYXDBANBEHRZ-GOSISDBHSA-N 1 3 348.447 0.625 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@]3(CCN([C@H]4CCCNC4=O)C3)C2)CC1 ZINC001041633041 781896680 /nfs/dbraw/zinc/89/66/80/781896680.db2.gz OVMVMSFLOGIROM-LPHOPBHVSA-N 1 3 348.491 0.531 20 0 ECADHO NC(=O)C[NH+]1CCC2(CCN(C(=O)c3ccn4cncc4c3)C2)CC1 ZINC001040760545 783380081 /nfs/dbraw/zinc/38/00/81/783380081.db2.gz LYSLSIFSBUHNKR-UHFFFAOYSA-N 1 3 341.415 0.748 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)C1CC1 ZINC001071061982 784501373 /nfs/dbraw/zinc/50/13/73/784501373.db2.gz CYQOUEMMMBROIZ-ZACQAIPSSA-N 1 3 339.480 0.305 20 0 ECADHO Cn1cncc1[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1CC1 ZINC001070694829 784563278 /nfs/dbraw/zinc/56/32/78/784563278.db2.gz CJRILYNASBPMND-HUUCEWRRSA-N 1 3 328.420 0.680 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001070805732 784701010 /nfs/dbraw/zinc/70/10/10/784701010.db2.gz LRLWAHXIVPDICT-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001070805732 784701015 /nfs/dbraw/zinc/70/10/15/784701015.db2.gz LRLWAHXIVPDICT-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO COCCN1CC[C@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071204472 784731330 /nfs/dbraw/zinc/73/13/30/784731330.db2.gz PQODPOOOMFGGDM-QAPCUYQASA-N 1 3 339.480 0.666 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071256392 784856038 /nfs/dbraw/zinc/85/60/38/784856038.db2.gz VPHAWBHDZGYDQP-CVEARBPZSA-N 1 3 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ZINC001073632051 786822480 /nfs/dbraw/zinc/82/24/80/786822480.db2.gz WVQAJLMQRAXGLL-DLBZAZTESA-N 1 3 341.496 0.554 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@H]2C)n1 ZINC001074562736 787265061 /nfs/dbraw/zinc/26/50/61/787265061.db2.gz FYJRRDXPKCACJS-RCBQFDQVSA-N 1 3 334.468 0.568 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN(C[C@H](C)O)CCCO2)CC1 ZINC001073841683 787328129 /nfs/dbraw/zinc/32/81/29/787328129.db2.gz QCZKHZIYMXBTOT-DOTOQJQBSA-N 1 3 341.496 0.695 20 0 ECADHO CO[C@@H](C)CN1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861475 787385527 /nfs/dbraw/zinc/38/55/27/787385527.db2.gz CVLAZFKMPCMJJV-LSDHHAIUSA-N 1 3 325.453 0.324 20 0 ECADHO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)C1=O ZINC001074687717 787599662 /nfs/dbraw/zinc/59/96/62/787599662.db2.gz BGZGGIGFBKNAJU-BPUTZDHNSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1NC(=O)CCC[NH+](C)C ZINC001074164297 787972446 /nfs/dbraw/zinc/97/24/46/787972446.db2.gz CYCAHQWCFVWBJR-DZGCQCFKSA-N 1 3 335.452 0.647 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001072741798 788689055 /nfs/dbraw/zinc/68/90/55/788689055.db2.gz JAODHOJAEVGOGS-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001072741798 788689058 /nfs/dbraw/zinc/68/90/58/788689058.db2.gz JAODHOJAEVGOGS-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001072742202 788690004 /nfs/dbraw/zinc/69/00/04/788690004.db2.gz NVTVXILSWKDFNB-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001072742202 788690001 /nfs/dbraw/zinc/69/00/01/788690001.db2.gz NVTVXILSWKDFNB-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001075042278 788786764 /nfs/dbraw/zinc/78/67/64/788786764.db2.gz HBFZXGNMGJKDFY-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001075042278 788786771 /nfs/dbraw/zinc/78/67/71/788786771.db2.gz HBFZXGNMGJKDFY-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001072801460 788832819 /nfs/dbraw/zinc/83/28/19/788832819.db2.gz SUBLNHGUQYCVIT-DZGCQCFKSA-N 1 3 335.452 0.647 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001072801460 788832825 /nfs/dbraw/zinc/83/28/25/788832825.db2.gz SUBLNHGUQYCVIT-DZGCQCFKSA-N 1 3 335.452 0.647 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001075090692 788891859 /nfs/dbraw/zinc/89/18/59/788891859.db2.gz JULVEZVIWCADQG-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001075170302 789019449 /nfs/dbraw/zinc/01/94/49/789019449.db2.gz UMBOPNPORJJLCE-LDDOYCOJSA-N 1 3 338.496 0.632 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001075189476 789036295 /nfs/dbraw/zinc/03/62/95/789036295.db2.gz RXEBUZXTMCBYBL-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001075189476 789036305 /nfs/dbraw/zinc/03/63/05/789036305.db2.gz RXEBUZXTMCBYBL-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898317 789065341 /nfs/dbraw/zinc/06/53/41/789065341.db2.gz SQHCDAQUAMUNHF-ZDUSSCGKSA-N 1 3 341.415 0.617 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCc1cnn(C)c1)C2)N(C)C ZINC001072989046 789233544 /nfs/dbraw/zinc/23/35/44/789233544.db2.gz BNSJCIYWYCVBCW-INIZCTEOSA-N 1 3 333.480 0.837 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCc1cnn(C)c1)C2)N(C)C ZINC001072989046 789233546 /nfs/dbraw/zinc/23/35/46/789233546.db2.gz BNSJCIYWYCVBCW-INIZCTEOSA-N 1 3 333.480 0.837 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2C[C@@H]([NH2+]CCO)CCO2)CC1 ZINC001075395649 789322480 /nfs/dbraw/zinc/32/24/80/789322480.db2.gz UDLPEWBWFPPHSH-GOEBONIOSA-N 1 3 336.436 0.320 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001073166216 789560090 /nfs/dbraw/zinc/56/00/90/789560090.db2.gz KEPVAECACLIWSC-AWEZNQCLSA-N 1 3 326.485 0.776 20 0 ECADHO CN(CCCN(C)C(=O)Cc1c[nH]cn1)C(=O)CCCC[NH+](C)C ZINC001067869652 792397261 /nfs/dbraw/zinc/39/72/61/792397261.db2.gz IXKLWAOOQSNELD-UHFFFAOYSA-N 1 3 337.468 0.991 20 0 ECADHO CN(CCNCc1cncn1C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001267439289 837417292 /nfs/dbraw/zinc/41/72/92/837417292.db2.gz BAFXPTRVGHQXEZ-UHFFFAOYSA-N 1 3 333.440 0.040 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCS(=O)(=O)C1)N(C)C ZINC001267458580 837446012 /nfs/dbraw/zinc/44/60/12/837446012.db2.gz HWHLPCYRNYIQKM-CABCVRRESA-N 1 3 347.525 0.445 20 0 ECADHO CN(CCNCc1cn(C)nc1C(F)F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469397 837483382 /nfs/dbraw/zinc/48/33/82/837483382.db2.gz KPYXRTKKJRHINX-NSHDSACASA-N 1 3 329.395 0.857 20 0 ECADHO CN(CCNCc1cn(C)nc1C(F)F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267469397 837483392 /nfs/dbraw/zinc/48/33/92/837483392.db2.gz KPYXRTKKJRHINX-NSHDSACASA-N 1 3 329.395 0.857 20 0 ECADHO CN(CCNCC(=O)NC1CCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001266827154 836353272 /nfs/dbraw/zinc/35/32/72/836353272.db2.gz LLXPHBZERVJZTI-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001267067028 836708943 /nfs/dbraw/zinc/70/89/43/836708943.db2.gz MRZQLTCMCAKVGV-NVXWUHKLSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[N@H+](CCCNC(=O)[C@H]1CCCN1C)CC(=O)N1CCCC1 ZINC001267239823 837047679 /nfs/dbraw/zinc/04/76/79/837047679.db2.gz QLLZELHPJHZAJX-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)[N@@H+](CCCNC(=O)[C@H]1CCCN1C)CC(=O)N1CCCC1 ZINC001267239823 837047685 /nfs/dbraw/zinc/04/76/85/837047685.db2.gz QLLZELHPJHZAJX-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCOCCO)C1 ZINC001267786916 838566714 /nfs/dbraw/zinc/56/67/14/838566714.db2.gz RLHBCVWOJGWFAL-IRXDYDNUSA-N 1 3 339.480 0.260 20 0 ECADHO CC[C@H](C(=O)NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001408835365 838608470 /nfs/dbraw/zinc/60/84/70/838608470.db2.gz DCMFOSPPCYDECK-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001408837781 838617328 /nfs/dbraw/zinc/61/73/28/838617328.db2.gz GYLJOMVRIKBSDY-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)C(=O)C[NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001267909117 838775984 /nfs/dbraw/zinc/77/59/84/838775984.db2.gz CJDVOBDGXNYYJM-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC001267933103 838816451 /nfs/dbraw/zinc/81/64/51/838816451.db2.gz CLZLSXSZAMUWAR-SYQHCUMBSA-N 1 3 338.452 0.149 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420070696 282096918 /nfs/dbraw/zinc/09/69/18/282096918.db2.gz WZIFMNBKDRNBML-AWEZNQCLSA-N 1 3 338.477 0.492 20 0 ECADHO CN(CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000354697337 299099407 /nfs/dbraw/zinc/09/94/07/299099407.db2.gz STNCRERJLCRFJT-KRWDZBQOSA-N 1 3 346.475 0.883 20 0 ECADHO CN(CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000354697338 299099505 /nfs/dbraw/zinc/09/95/05/299099505.db2.gz STNCRERJLCRFJT-QGZVFWFLSA-N 1 3 346.475 0.883 20 0 ECADHO C[C@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)C(C)(C)C[NH+](C)C ZINC000354801943 299132443 /nfs/dbraw/zinc/13/24/43/299132443.db2.gz ZGJYGJNMPNNWOJ-ZDUSSCGKSA-N 1 3 326.485 0.679 20 0 ECADHO CCCN(C(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000417741264 283004379 /nfs/dbraw/zinc/00/43/79/283004379.db2.gz AAVYEGOJPLRYCH-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C[C@@H]21 ZINC000410439608 283079914 /nfs/dbraw/zinc/07/99/14/283079914.db2.gz GJNXHNCYFIFVKX-ZACQAIPSSA-N 1 3 348.491 0.626 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000420157406 209324964 /nfs/dbraw/zinc/32/49/64/209324964.db2.gz BCEUIHMNMBEWDH-MRXNPFEDSA-N 1 3 348.491 0.999 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420144872 209320489 /nfs/dbraw/zinc/32/04/89/209320489.db2.gz NXJKQPIWCDPTFA-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCC1 ZINC000420171709 209329332 /nfs/dbraw/zinc/32/93/32/209329332.db2.gz ULHGODBCEGYIGW-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420104700 209307872 /nfs/dbraw/zinc/30/78/72/209307872.db2.gz RGNGLPLFGIZRPM-MRXNPFEDSA-N 1 3 330.432 0.507 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420078412 209300134 /nfs/dbraw/zinc/30/01/34/209300134.db2.gz OTIHVSOPJHVZCE-UHFFFAOYSA-N 1 3 338.427 0.569 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000132028100 223293663 /nfs/dbraw/zinc/29/36/63/223293663.db2.gz PZBPUUBHTHFVET-MRXNPFEDSA-N 1 3 332.448 0.675 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419980790 209268222 /nfs/dbraw/zinc/26/82/22/209268222.db2.gz RIGLVTDYWFXOHR-BZUAXINKSA-N 1 3 338.496 0.871 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419967554 209263854 /nfs/dbraw/zinc/26/38/54/209263854.db2.gz OIMDBTOMPBLXEJ-OAHLLOKOSA-N 1 3 326.485 0.858 20 0 ECADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419929476 209251438 /nfs/dbraw/zinc/25/14/38/209251438.db2.gz VSKCCHMTVRQRKD-UHFFFAOYSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419894302 209240931 /nfs/dbraw/zinc/24/09/31/209240931.db2.gz OTWQGWCODFXVOV-FPCVCCKLSA-N 1 3 338.496 0.727 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419890585 209239861 /nfs/dbraw/zinc/23/98/61/209239861.db2.gz ISVADGVLKXCDJH-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)o1 ZINC000419846383 209222568 /nfs/dbraw/zinc/22/25/68/209222568.db2.gz RNWSQWUASQGEMQ-AWEZNQCLSA-N 1 3 336.436 0.346 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1=O ZINC000356250408 299370372 /nfs/dbraw/zinc/37/03/72/299370372.db2.gz FPAOUBFOHUTYLZ-MAUKXSAKSA-N 1 3 336.480 0.341 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1=O ZINC000356250408 299370376 /nfs/dbraw/zinc/37/03/76/299370376.db2.gz FPAOUBFOHUTYLZ-MAUKXSAKSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419785019 209203941 /nfs/dbraw/zinc/20/39/41/209203941.db2.gz XVJRAGYYRLJWHB-KKUMJFAQSA-N 1 3 338.496 0.951 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000262928588 245256664 /nfs/dbraw/zinc/25/66/64/245256664.db2.gz SLQRIKVQNDTNIX-GFCCVEGCSA-N 1 3 336.392 0.458 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419699374 209176984 /nfs/dbraw/zinc/17/69/84/209176984.db2.gz QYAMBISHJLCRCK-INIZCTEOSA-N 1 3 338.496 0.810 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419696834 209175680 /nfs/dbraw/zinc/17/56/80/209175680.db2.gz PGJMDDTVWPRKSU-ILXRZTDVSA-N 1 3 334.464 0.472 20 0 ECADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCCC[C@@H]1CN)C(C)C ZINC000419670671 209166813 /nfs/dbraw/zinc/16/68/13/209166813.db2.gz XIXNRULNGBHDOQ-OAHLLOKOSA-N 1 3 326.485 0.951 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419648830 209158071 /nfs/dbraw/zinc/15/80/71/209158071.db2.gz BHGHIHJWWQHABE-FMKPAKJESA-N 1 3 332.448 0.619 20 0 ECADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCN2CCN(CC)CC2)C1(C)C ZINC000444268005 211065300 /nfs/dbraw/zinc/06/53/00/211065300.db2.gz RHCCPZPVTYNTKG-RHSMWYFYSA-N 1 3 326.485 0.273 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCn4cncn4)C3)C2)C1 ZINC001041677951 781972065 /nfs/dbraw/zinc/97/20/65/781972065.db2.gz DZEHULLPLASNEM-SJLPKXTDSA-N 1 3 346.479 0.544 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCn4cncn4)C3)C2)C1 ZINC001041677951 781972068 /nfs/dbraw/zinc/97/20/68/781972068.db2.gz DZEHULLPLASNEM-SJLPKXTDSA-N 1 3 346.479 0.544 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000410885595 208015021 /nfs/dbraw/zinc/01/50/21/208015021.db2.gz MKOALPVJYVQDIW-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)NC(=O)NC)[C@H](C)C1 ZINC000411550900 208114948 /nfs/dbraw/zinc/11/49/48/208114948.db2.gz LOSLGUZQOKTAQR-KGLIPLIRSA-N 1 3 328.457 0.559 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)NC(=O)NC)[C@H](C)C1 ZINC000411550900 208114952 /nfs/dbraw/zinc/11/49/52/208114952.db2.gz LOSLGUZQOKTAQR-KGLIPLIRSA-N 1 3 328.457 0.559 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000411775169 208143878 /nfs/dbraw/zinc/14/38/78/208143878.db2.gz XELAFCSBONIBQT-ROUUACIJSA-N 1 3 339.480 0.497 20 0 ECADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430962325 210415606 /nfs/dbraw/zinc/41/56/06/210415606.db2.gz CGWZUMYYEQPZIR-HNNXBMFYSA-N 1 3 346.479 0.445 20 0 ECADHO CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CC[NH2+]CC1 ZINC000430604279 210387449 /nfs/dbraw/zinc/38/74/49/210387449.db2.gz MLKCDUJDHNSFMY-UHFFFAOYSA-N 1 3 340.449 0.346 20 0 ECADHO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCNCC1 ZINC000430604279 210387453 /nfs/dbraw/zinc/38/74/53/210387453.db2.gz MLKCDUJDHNSFMY-UHFFFAOYSA-N 1 3 340.449 0.346 20 0 ECADHO C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCNCC1 ZINC000430604279 210387458 /nfs/dbraw/zinc/38/74/58/210387458.db2.gz MLKCDUJDHNSFMY-UHFFFAOYSA-N 1 3 340.449 0.346 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000430556204 210380938 /nfs/dbraw/zinc/38/09/38/210380938.db2.gz KDYYRCPKHWBGPU-JKSUJKDBSA-N 1 3 346.479 0.575 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000430556203 210380722 /nfs/dbraw/zinc/38/07/22/210380722.db2.gz KDYYRCPKHWBGPU-HZPDHXFCSA-N 1 3 346.479 0.575 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000419023921 296384261 /nfs/dbraw/zinc/38/42/61/296384261.db2.gz KKLLHSFSNSXKHR-ILXRZTDVSA-N 1 3 338.496 0.809 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000417952519 208764697 /nfs/dbraw/zinc/76/46/97/208764697.db2.gz OJYGNXIYGBNPAQ-OAHLLOKOSA-N 1 3 335.452 0.821 20 0 ECADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCC[NH3+] ZINC000419828932 285252101 /nfs/dbraw/zinc/25/21/01/285252101.db2.gz DGUIXLDKIFJXPR-MRXNPFEDSA-N 1 3 347.463 0.360 20 0 ECADHO CCN1CCN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000496560122 255110127 /nfs/dbraw/zinc/11/01/27/255110127.db2.gz WCKWJRICAQXICO-UHFFFAOYSA-N 1 3 342.488 0.263 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@@H](C)[C@@H]2C)CC1=O ZINC000262851492 285255165 /nfs/dbraw/zinc/25/51/65/285255165.db2.gz ZQPYTKNPSAKKOF-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@@H](C)[C@@H]2C)CC1=O ZINC000262851492 285255169 /nfs/dbraw/zinc/25/51/69/285255169.db2.gz ZQPYTKNPSAKKOF-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419175538 209014028 /nfs/dbraw/zinc/01/40/28/209014028.db2.gz XUXVCBXNSHGSJX-DOTOQJQBSA-N 1 3 348.491 0.970 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419172182 209011744 /nfs/dbraw/zinc/01/17/44/209011744.db2.gz QQNCKAFSGJCNPT-OWCLPIDISA-N 1 3 338.496 0.953 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419198243 209021148 /nfs/dbraw/zinc/02/11/48/209021148.db2.gz YUTVWIFTTZAVDE-QGZVFWFLSA-N 1 3 344.459 0.554 20 0 ECADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N[C@@H](CN)C2CC2)c1 ZINC000419266877 209045309 /nfs/dbraw/zinc/04/53/09/209045309.db2.gz IEHVZRGFJLMNGT-KRWDZBQOSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419222351 209030789 /nfs/dbraw/zinc/03/07/89/209030789.db2.gz BRPFLIZROCJWES-HYVNUMGLSA-N 1 3 344.459 0.573 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419225512 209031614 /nfs/dbraw/zinc/03/16/14/209031614.db2.gz HHBUITJOSPRODP-FVQBIDKESA-N 1 3 336.480 0.481 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419225548 209031976 /nfs/dbraw/zinc/03/19/76/209031976.db2.gz HLYQVXRZTAIOFL-HZPDHXFCSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419225281 209032022 /nfs/dbraw/zinc/03/20/22/209032022.db2.gz GYMNDCVQVQUWLD-VNQPRFMTSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC[C@@H]1[NH3+] ZINC000419230692 209033818 /nfs/dbraw/zinc/03/38/18/209033818.db2.gz QHFSEYSWRIWULS-KBMXLJTQSA-N 1 3 336.480 0.563 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)NCCCN2CCc3ccccc3C2)CCC1 ZINC000419422209 209090563 /nfs/dbraw/zinc/09/05/63/209090563.db2.gz MDWSSSNDEDIQRD-UHFFFAOYSA-N 1 3 344.459 0.549 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232487 209035829 /nfs/dbraw/zinc/03/58/29/209035829.db2.gz UQNPPYKLGXKFCV-IMJJTQAJSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419311217 209056469 /nfs/dbraw/zinc/05/64/69/209056469.db2.gz BKIQQFWHSFHEKI-WQVCFCJDSA-N 1 3 336.480 0.609 20 0 ECADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419423829 209090458 /nfs/dbraw/zinc/09/04/58/209090458.db2.gz NOKSCOPUTHXVON-SJORKVTESA-N 1 3 344.459 0.808 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000444573793 285315181 /nfs/dbraw/zinc/31/51/81/285315181.db2.gz GCLRWSZFQWIJIV-MRXNPFEDSA-N 1 3 340.512 0.318 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000417760608 285320124 /nfs/dbraw/zinc/32/01/24/285320124.db2.gz XUBCZLPUSHRCHU-WBVHZDCISA-N 1 3 337.512 0.796 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419372767 209071771 /nfs/dbraw/zinc/07/17/71/209071771.db2.gz LNKRWPUNHKIQRO-MRXNPFEDSA-N 1 3 344.459 0.070 20 0 ECADHO CCOC(=O)C1([C@H](C)NCc2ccnc(N(C)C)n2)CC[NH2+]CC1 ZINC000423019674 285665241 /nfs/dbraw/zinc/66/52/41/285665241.db2.gz WSYNNLJKNZEDOO-ZDUSSCGKSA-N 1 3 335.452 0.954 20 0 ECADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188885751 165003330 /nfs/dbraw/zinc/00/33/30/165003330.db2.gz HBJDNRRYWQJDDX-AWEZNQCLSA-N 1 3 346.479 0.298 20 0 ECADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188885751 165003331 /nfs/dbraw/zinc/00/33/31/165003331.db2.gz HBJDNRRYWQJDDX-AWEZNQCLSA-N 1 3 346.479 0.298 20 0 ECADHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000246802319 165143170 /nfs/dbraw/zinc/14/31/70/165143170.db2.gz AZSCGCXRWRFYSZ-BFHYXJOUSA-N 1 3 347.525 0.634 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)CCCCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000247390215 165160707 /nfs/dbraw/zinc/16/07/07/165160707.db2.gz XABVDIHGOKIJNN-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)CCCCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000247390215 165160711 /nfs/dbraw/zinc/16/07/11/165160711.db2.gz XABVDIHGOKIJNN-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC000249414068 165197828 /nfs/dbraw/zinc/19/78/28/165197828.db2.gz FZHRBIADOAZASG-MCIONIFRSA-N 1 3 328.457 0.557 20 0 ECADHO O=C(C[C@H]1CSCCN1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261913592 165261739 /nfs/dbraw/zinc/26/17/39/165261739.db2.gz UDOVRUNAONUOFD-QWRGUYRKSA-N 1 3 340.415 0.034 20 0 ECADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262400625 165345857 /nfs/dbraw/zinc/34/58/57/165345857.db2.gz OCSLNDKRKNXHDX-ZIAGYGMSSA-N 1 3 327.494 0.577 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000419377676 209073762 /nfs/dbraw/zinc/07/37/62/209073762.db2.gz VFEYIONMNCXZEY-HNNXBMFYSA-N 1 3 326.485 0.585 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000168375292 226214192 /nfs/dbraw/zinc/21/41/92/226214192.db2.gz LYBAETZGIZHXSN-MRXNPFEDSA-N 1 3 332.448 0.594 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)N1CCCCC1 ZINC000331495322 296937060 /nfs/dbraw/zinc/93/70/60/296937060.db2.gz YWRHQZPIYCLHBJ-HUUCEWRRSA-N 1 3 336.480 0.435 20 0 ECADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187212387 263160169 /nfs/dbraw/zinc/16/01/69/263160169.db2.gz KVNNYACTKZXHMZ-XHSDSOJGSA-N 1 3 328.501 0.966 20 0 ECADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187212387 263160170 /nfs/dbraw/zinc/16/01/70/263160170.db2.gz KVNNYACTKZXHMZ-XHSDSOJGSA-N 1 3 328.501 0.966 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCCC[NH2+]Cc2cccnc2)CC1=O ZINC000237162016 263173280 /nfs/dbraw/zinc/17/32/80/263173280.db2.gz VYICJHGZFYRZJS-MRXNPFEDSA-N 1 3 347.463 0.088 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000269866377 263209368 /nfs/dbraw/zinc/20/93/68/263209368.db2.gz SNHVYSNABAFJPG-WMZOPIPTSA-N 1 3 334.464 0.873 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000270841387 263278504 /nfs/dbraw/zinc/27/85/04/263278504.db2.gz VPZPAQJVLROPDR-UHFFFAOYSA-N 1 3 338.452 0.720 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000270841387 263278506 /nfs/dbraw/zinc/27/85/06/263278506.db2.gz VPZPAQJVLROPDR-UHFFFAOYSA-N 1 3 338.452 0.720 20 0 ECADHO C[NH+](C)CCN1CCC(Nc2cc(-n3cccn3)nc(N)n2)CC1 ZINC000271315768 263314739 /nfs/dbraw/zinc/31/47/39/263314739.db2.gz NAMNSGHSESWNGN-UHFFFAOYSA-N 1 3 330.440 0.682 20 0 ECADHO CN(Cc1cccc(CN(C)[C@@H]2COC[C@H]2O)c1)[C@@H]1COC[C@H]1O ZINC000285650198 264329185 /nfs/dbraw/zinc/32/91/85/264329185.db2.gz SJCBQRJTQDYEIZ-BRSBDYLESA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1cccc(C[N@H+](C)[C@@H]2COC[C@H]2O)c1)[C@@H]1COC[C@H]1O ZINC000285650198 264329186 /nfs/dbraw/zinc/32/91/86/264329186.db2.gz SJCBQRJTQDYEIZ-BRSBDYLESA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1cccc(C[N@@H+](C)[C@@H]2COC[C@H]2O)c1)[C@@H]1COC[C@H]1O ZINC000285650198 264329187 /nfs/dbraw/zinc/32/91/87/264329187.db2.gz SJCBQRJTQDYEIZ-BRSBDYLESA-N 1 3 336.432 0.070 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000418948761 276106670 /nfs/dbraw/zinc/10/66/70/276106670.db2.gz QRNRBFKOKVAQJC-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000420105067 276119901 /nfs/dbraw/zinc/11/99/01/276119901.db2.gz RWYIGFLDCKQMDV-KRWDZBQOSA-N 1 3 344.459 0.849 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccn(C)c1=O ZINC000264256367 276371034 /nfs/dbraw/zinc/37/10/34/276371034.db2.gz SDHQCHSCJCLANB-OAHLLOKOSA-N 1 3 334.464 0.873 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccn(C)c1=O ZINC000264256367 276371035 /nfs/dbraw/zinc/37/10/35/276371035.db2.gz SDHQCHSCJCLANB-OAHLLOKOSA-N 1 3 334.464 0.873 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000360421648 437599636 /nfs/dbraw/zinc/59/96/36/437599636.db2.gz AJIAQAYDHTUADB-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419026801 278317592 /nfs/dbraw/zinc/31/75/92/278317592.db2.gz NWARPJBZCQGGJB-QXSJWSMHSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423059427 278856209 /nfs/dbraw/zinc/85/62/09/278856209.db2.gz FRLVHEHWNVKTCR-SFHVURJKSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2=CCN(C)CC2)CC1=O ZINC000369744193 279330516 /nfs/dbraw/zinc/33/05/16/279330516.db2.gz DRFUYLPNYJAESX-IRXDYDNUSA-N 1 3 348.491 0.697 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2=CCN(C)CC2)CC1=O ZINC000369744193 279330519 /nfs/dbraw/zinc/33/05/19/279330519.db2.gz DRFUYLPNYJAESX-IRXDYDNUSA-N 1 3 348.491 0.697 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1=O ZINC000158789533 279330983 /nfs/dbraw/zinc/33/09/83/279330983.db2.gz BUCUCDDXLVEKSC-GJYPPUQNSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343638355 437610862 /nfs/dbraw/zinc/61/08/62/437610862.db2.gz KOHFOCDSPMQOHD-CJNGLKHVSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343638355 437610868 /nfs/dbraw/zinc/61/08/68/437610868.db2.gz KOHFOCDSPMQOHD-CJNGLKHVSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000423224136 289780325 /nfs/dbraw/zinc/78/03/25/289780325.db2.gz IHXAOYXSUNLOMG-ARFHVFGLSA-N 1 3 336.480 0.659 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@]3(CC[N@H+](C)C3)C1)CC2 ZINC000410727780 290247068 /nfs/dbraw/zinc/24/70/68/290247068.db2.gz CGDCAGGVZLGDJQ-VKJFTORMSA-N 1 3 334.464 0.236 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@]3(CC[N@@H+](C)C3)C1)CC2 ZINC000410727780 290247070 /nfs/dbraw/zinc/24/70/70/290247070.db2.gz CGDCAGGVZLGDJQ-VKJFTORMSA-N 1 3 334.464 0.236 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000332583827 297055354 /nfs/dbraw/zinc/05/53/54/297055354.db2.gz CUWDPZLUGFFHQF-CAOSSQGBSA-N 1 3 336.480 0.657 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000332638350 297061577 /nfs/dbraw/zinc/06/15/77/297061577.db2.gz XVSSIIABQWUHFX-ZJIFWQFVSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000332638350 297061578 /nfs/dbraw/zinc/06/15/78/297061578.db2.gz XVSSIIABQWUHFX-ZJIFWQFVSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N(C)CCN1CCCC1)[NH+]1CCCCC1 ZINC000359701063 299880659 /nfs/dbraw/zinc/88/06/59/299880659.db2.gz AZHMKKVPQMHWBH-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423152273 295416520 /nfs/dbraw/zinc/41/65/20/295416520.db2.gz LLBNBJLFWXKVNR-OWCLPIDISA-N 1 3 334.464 0.284 20 0 ECADHO CN(C)[C@]1(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCSC1 ZINC000333299141 297122402 /nfs/dbraw/zinc/12/24/02/297122402.db2.gz ISEWSXYRKDVNFS-HOCLYGCPSA-N 1 3 341.525 0.113 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC3CCN(C4CC4)CC3)C[C@H]2[NH3+])cn1 ZINC000333567453 297142256 /nfs/dbraw/zinc/14/22/56/297142256.db2.gz LYIPHVRCFUETHI-JKSUJKDBSA-N 1 3 332.452 0.483 20 0 ECADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333828434 297151286 /nfs/dbraw/zinc/15/12/86/297151286.db2.gz SJFJOTYJOBTVMN-IAGOWNOFSA-N 1 3 335.496 0.692 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000333896000 297154736 /nfs/dbraw/zinc/15/47/36/297154736.db2.gz YGTRVACLCKTCOK-YOEHRIQHSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339586772 297361987 /nfs/dbraw/zinc/36/19/87/297361987.db2.gz RUWBXRKYDKTTHT-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[N@@H+]1C ZINC000339617003 297365332 /nfs/dbraw/zinc/36/53/32/297365332.db2.gz OOCYAQYOQUDSDL-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[N@H+]1C ZINC000339617003 297365333 /nfs/dbraw/zinc/36/53/33/297365333.db2.gz OOCYAQYOQUDSDL-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](N)CCC(=O)OC)CC1 ZINC000342702727 297769308 /nfs/dbraw/zinc/76/93/08/297769308.db2.gz ZKFNYVHGBSCWEF-ZDUSSCGKSA-N 1 3 337.424 0.759 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000343440752 297878223 /nfs/dbraw/zinc/87/82/23/297878223.db2.gz QSHCGMUPTSEYNC-KKUMJFAQSA-N 1 3 337.395 0.668 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000345330181 298145332 /nfs/dbraw/zinc/14/53/32/298145332.db2.gz QFODQVNZARLKFY-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CN(C)C)NC(=O)c1cc(C(=O)N[C@H](C)C[NH+](C)C)ccn1 ZINC000346183017 298234390 /nfs/dbraw/zinc/23/43/90/298234390.db2.gz MTNTWHSONGOFSZ-CHWSQXEVSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](CN(C)C)NC(=O)c1ccnc(C(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000346183017 298234396 /nfs/dbraw/zinc/23/43/96/298234396.db2.gz MTNTWHSONGOFSZ-CHWSQXEVSA-N 1 3 335.452 0.441 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)CCOC3CNC3)nc2)CC1 ZINC000348997469 298643226 /nfs/dbraw/zinc/64/32/26/298643226.db2.gz ZFEZFIMRFXGFNI-UHFFFAOYSA-N 1 3 347.463 0.929 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351689598 298817059 /nfs/dbraw/zinc/81/70/59/298817059.db2.gz ZOLGWTQWRNUOFE-LSDHHAIUSA-N 1 3 342.484 0.012 20 0 ECADHO CCN(CCO)CCNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000360694188 300016743 /nfs/dbraw/zinc/01/67/43/300016743.db2.gz LZCXLRWPLWDKTK-UHFFFAOYSA-N 1 3 332.514 0.427 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362565348 300199138 /nfs/dbraw/zinc/19/91/38/300199138.db2.gz BAZLWRQVQDBCGM-LSDHHAIUSA-N 1 3 348.495 0.490 20 0 ECADHO CC[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CCN1C[C@H](C)O ZINC000362564472 300199492 /nfs/dbraw/zinc/19/94/92/300199492.db2.gz LBBXPKLCHNJLCN-BFHYXJOUSA-N 1 3 335.452 0.404 20 0 ECADHO COCCCN1CCCN(C(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000363291873 300258650 /nfs/dbraw/zinc/25/86/50/300258650.db2.gz GJUZHCGWLUBWRF-UHFFFAOYSA-N 1 3 344.500 0.709 20 0 ECADHO COCCCN1CCCN(C(=O)NCC[N@@H+](C)CCCOC)CC1 ZINC000363291873 300258653 /nfs/dbraw/zinc/25/86/53/300258653.db2.gz GJUZHCGWLUBWRF-UHFFFAOYSA-N 1 3 344.500 0.709 20 0 ECADHO O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@H]1C[C@H](O)CN1 ZINC000365315996 300441036 /nfs/dbraw/zinc/44/10/36/300441036.db2.gz FOICUPRDBKGHRV-DZGCQCFKSA-N 1 3 333.388 0.257 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000074161119 436110198 /nfs/dbraw/zinc/11/01/98/436110198.db2.gz SXWQIDVZKYFWCU-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000074161119 436110203 /nfs/dbraw/zinc/11/02/03/436110203.db2.gz SXWQIDVZKYFWCU-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000074201658 436112939 /nfs/dbraw/zinc/11/29/39/436112939.db2.gz VLWBTUJRJHDVJR-INIZCTEOSA-N 1 3 327.517 0.901 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000074201658 436112943 /nfs/dbraw/zinc/11/29/43/436112943.db2.gz VLWBTUJRJHDVJR-INIZCTEOSA-N 1 3 327.517 0.901 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000372447138 301002746 /nfs/dbraw/zinc/00/27/46/301002746.db2.gz QZWLHVIUXFSIMA-QFBILLFUSA-N 1 3 344.459 0.594 20 0 ECADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000372572520 301009956 /nfs/dbraw/zinc/00/99/56/301009956.db2.gz PBWPPUVTROTCTK-NFAWXSAZSA-N 1 3 347.463 0.675 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000372572520 301009958 /nfs/dbraw/zinc/00/99/58/301009958.db2.gz PBWPPUVTROTCTK-NFAWXSAZSA-N 1 3 347.463 0.675 20 0 ECADHO CC[NH+](CC)CCCN1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000372809512 301031734 /nfs/dbraw/zinc/03/17/34/301031734.db2.gz YRRZYROKAPERCX-INIZCTEOSA-N 1 3 331.526 0.959 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000372896561 301035266 /nfs/dbraw/zinc/03/52/66/301035266.db2.gz FBMBUXMAYCWOLF-LDDOYCOJSA-N 1 3 341.496 0.992 20 0 ECADHO C[C@H]1CCCCN1CCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000375834738 301214719 /nfs/dbraw/zinc/21/47/19/301214719.db2.gz OHMOJBXFIYKALQ-AWEZNQCLSA-N 1 3 345.509 0.534 20 0 ECADHO CCOC(=O)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000515315679 301636761 /nfs/dbraw/zinc/63/67/61/301636761.db2.gz GWXJSOPZBVZTRJ-UHFFFAOYSA-N 1 3 336.436 0.824 20 0 ECADHO Cn1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=O)n(C)c1=O ZINC000092066902 436467060 /nfs/dbraw/zinc/46/70/60/436467060.db2.gz BZDMHIYGRJPZAN-CJNGLKHVSA-N 1 3 332.448 0.533 20 0 ECADHO Cn1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(=O)n(C)c1=O ZINC000092066902 436467064 /nfs/dbraw/zinc/46/70/64/436467064.db2.gz BZDMHIYGRJPZAN-CJNGLKHVSA-N 1 3 332.448 0.533 20 0 ECADHO Cn1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=O)n(C)c1=O ZINC000092066900 436467534 /nfs/dbraw/zinc/46/75/34/436467534.db2.gz BZDMHIYGRJPZAN-CZUORRHYSA-N 1 3 332.448 0.533 20 0 ECADHO Cn1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(=O)n(C)c1=O ZINC000092066900 436467535 /nfs/dbraw/zinc/46/75/35/436467535.db2.gz BZDMHIYGRJPZAN-CZUORRHYSA-N 1 3 332.448 0.533 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3COCCO3)CC2)CC1 ZINC000051777776 436498365 /nfs/dbraw/zinc/49/83/65/436498365.db2.gz MQSDBNRLOIHZEJ-MRXNPFEDSA-N 1 3 340.468 0.260 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000103212819 436552957 /nfs/dbraw/zinc/55/29/57/436552957.db2.gz ZJWZTFGVGGNVEO-UHFFFAOYSA-N 1 3 345.451 0.157 20 0 ECADHO C[C@H](NC(=O)c1cccs1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103210933 436553429 /nfs/dbraw/zinc/55/34/29/436553429.db2.gz VRLCSJMPOPDJBK-ZDUSSCGKSA-N 1 3 340.493 0.818 20 0 ECADHO CCCNC(=O)CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000109364361 436624696 /nfs/dbraw/zinc/62/46/96/436624696.db2.gz DRPWGPRUAZQOPI-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000537717859 302154674 /nfs/dbraw/zinc/15/46/74/302154674.db2.gz BZBCKDPYIQAXTF-DOTOQJQBSA-N 1 3 341.496 0.839 20 0 ECADHO CC(C)N1CCN([C@@H]2CC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000540549389 302177589 /nfs/dbraw/zinc/17/75/89/302177589.db2.gz MHDDUNVSDXYOLS-QRVBRYPASA-N 1 3 336.524 0.950 20 0 ECADHO CC(C)N1CCN([C@@H]2CC[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000540549389 302177592 /nfs/dbraw/zinc/17/75/92/302177592.db2.gz MHDDUNVSDXYOLS-QRVBRYPASA-N 1 3 336.524 0.950 20 0 ECADHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000116396236 436650274 /nfs/dbraw/zinc/65/02/74/436650274.db2.gz AZSCGCXRWRFYSZ-MJBXVCDLSA-N 1 3 347.525 0.634 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000551916529 302371839 /nfs/dbraw/zinc/37/18/39/302371839.db2.gz MPNMQBHHKSGUKX-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000119313849 436666485 /nfs/dbraw/zinc/66/64/85/436666485.db2.gz KAHNXPLFQBGDQZ-ROUUACIJSA-N 1 3 343.512 0.501 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000119313849 436666486 /nfs/dbraw/zinc/66/64/86/436666486.db2.gz KAHNXPLFQBGDQZ-ROUUACIJSA-N 1 3 343.512 0.501 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152350660 436727760 /nfs/dbraw/zinc/72/77/60/436727760.db2.gz YUCWRSUPCRLYFD-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152350660 436727765 /nfs/dbraw/zinc/72/77/65/436727765.db2.gz YUCWRSUPCRLYFD-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO COCC[NH2+]CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000237271715 436728902 /nfs/dbraw/zinc/72/89/02/436728902.db2.gz HGTCJUIEEGMVPG-UHFFFAOYSA-N 1 3 348.491 0.859 20 0 ECADHO CC(C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)S(C)(=O)=O ZINC000154630300 436782869 /nfs/dbraw/zinc/78/28/69/436782869.db2.gz CEEIUFMJEKBJDC-JKXDFHQYSA-N 1 3 343.493 0.189 20 0 ECADHO CC(C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)S(C)(=O)=O ZINC000154630300 436782871 /nfs/dbraw/zinc/78/28/71/436782871.db2.gz CEEIUFMJEKBJDC-JKXDFHQYSA-N 1 3 343.493 0.189 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1cnccc1=O ZINC000293082071 436847499 /nfs/dbraw/zinc/84/74/99/436847499.db2.gz OWJQWWPIQOVDON-INIZCTEOSA-N 1 3 349.479 0.508 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1cnccc1=O ZINC000293082071 436847504 /nfs/dbraw/zinc/84/75/04/436847504.db2.gz OWJQWWPIQOVDON-INIZCTEOSA-N 1 3 349.479 0.508 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000262343720 436926913 /nfs/dbraw/zinc/92/69/13/436926913.db2.gz GKJDMRRLAOHYSZ-ROUUACIJSA-N 1 3 346.475 0.163 20 0 ECADHO C[C@@H](NCCN1C(=O)CNC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000134128928 436890836 /nfs/dbraw/zinc/89/08/36/436890836.db2.gz XBDFLXGFGBGCDJ-CYBMUJFWSA-N 1 3 334.420 0.829 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261868428 436892531 /nfs/dbraw/zinc/89/25/31/436892531.db2.gz STCWSJDQRHIEIJ-KRWDZBQOSA-N 1 3 335.448 0.997 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000262443210 436933761 /nfs/dbraw/zinc/93/37/61/436933761.db2.gz TWMVBFRDGOKOOV-HZPDHXFCSA-N 1 3 348.447 0.420 20 0 ECADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262458699 436935812 /nfs/dbraw/zinc/93/58/12/436935812.db2.gz FNHHICFSABTBGL-JKSUJKDBSA-N 1 3 335.473 0.939 20 0 ECADHO COCCNCC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000168099944 436941393 /nfs/dbraw/zinc/94/13/93/436941393.db2.gz DLQPUCNEAVPAIU-GOSISDBHSA-N 1 3 349.475 0.784 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000331582250 437123988 /nfs/dbraw/zinc/12/39/88/437123988.db2.gz LXRLAAQURCQUPH-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000331582250 437123991 /nfs/dbraw/zinc/12/39/91/437123991.db2.gz LXRLAAQURCQUPH-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO COCCN(CCO)Cc1ccc(C[N@H+](CCO)CCOC)cc1 ZINC000265667603 437174106 /nfs/dbraw/zinc/17/41/06/437174106.db2.gz VXUDJMBDNCAUQW-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO COCCN(CCO)Cc1ccc(C[N@@H+](CCO)CCOC)cc1 ZINC000265667603 437174110 /nfs/dbraw/zinc/17/41/10/437174110.db2.gz VXUDJMBDNCAUQW-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331852910 437169298 /nfs/dbraw/zinc/16/92/98/437169298.db2.gz OTQKSVIBNLVZQB-RBSFLKMASA-N 1 3 337.468 0.062 20 0 ECADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333394172 437270159 /nfs/dbraw/zinc/27/01/59/437270159.db2.gz XXAWMAZNBCHIJY-ZFWWWQNUSA-N 1 3 345.451 0.587 20 0 ECADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333394172 437270163 /nfs/dbraw/zinc/27/01/63/437270163.db2.gz XXAWMAZNBCHIJY-ZFWWWQNUSA-N 1 3 345.451 0.587 20 0 ECADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1COCCN1 ZINC000178875612 437236018 /nfs/dbraw/zinc/23/60/18/437236018.db2.gz BLHZAZCUGCLABR-SFHVURJKSA-N 1 3 346.475 0.693 20 0 ECADHO O=C(CN1CCN(CC2CC[NH2+]CC2)CC1)NCc1ccccc1 ZINC000178978522 437245547 /nfs/dbraw/zinc/24/55/47/437245547.db2.gz MJHLUQWJYRXCSG-UHFFFAOYSA-N 1 3 330.476 0.920 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@H](O)CN(C)C2CC2)CC1 ZINC000336880434 437303920 /nfs/dbraw/zinc/30/39/20/437303920.db2.gz QDVLRQCXVUEQNR-ZHALLVOQSA-N 1 3 338.540 0.932 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC000336952787 437318340 /nfs/dbraw/zinc/31/83/40/437318340.db2.gz RXURYKPFQXZDQC-ILXRZTDVSA-N 1 3 325.453 0.670 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC000336952787 437318347 /nfs/dbraw/zinc/31/83/47/437318347.db2.gz RXURYKPFQXZDQC-ILXRZTDVSA-N 1 3 325.453 0.670 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000278281674 437299321 /nfs/dbraw/zinc/29/93/21/437299321.db2.gz QDOZLHWVPTYNGN-INIZCTEOSA-N 1 3 335.452 0.074 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CSCC1=O ZINC000337582707 437366905 /nfs/dbraw/zinc/36/69/05/437366905.db2.gz PAHMVLXYAYVZRV-CQSZACIVSA-N 1 3 342.509 0.394 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CSCC1=O ZINC000337582707 437366910 /nfs/dbraw/zinc/36/69/10/437366910.db2.gz PAHMVLXYAYVZRV-CQSZACIVSA-N 1 3 342.509 0.394 20 0 ECADHO C[NH+](C)C1(CNC(=O)CNC[C@H]2CCCO2)Cc2ccccc2C1 ZINC000269257540 437475236 /nfs/dbraw/zinc/47/52/36/437475236.db2.gz KQWDNPUWXAWPSW-QGZVFWFLSA-N 1 3 331.460 0.970 20 0 ECADHO CCN(CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)C1CC1 ZINC000339585249 437476170 /nfs/dbraw/zinc/47/61/70/437476170.db2.gz AGKGNRZDLWOBHN-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCN1C ZINC000339651402 437485296 /nfs/dbraw/zinc/48/52/96/437485296.db2.gz NLYIVRJZNIUQKJ-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000343173543 437527741 /nfs/dbraw/zinc/52/77/41/437527741.db2.gz NUXOJJISNNBGNB-FXUDXRNXSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000343173543 437527747 /nfs/dbraw/zinc/52/77/47/437527747.db2.gz NUXOJJISNNBGNB-FXUDXRNXSA-N 1 3 338.496 0.822 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NCCN2CCC([NH+](C)C)CC2)C1(C)C ZINC000188246961 437536575 /nfs/dbraw/zinc/53/65/75/437536575.db2.gz FSZHDFQFLWWRDY-QAPCUYQASA-N 1 3 340.512 0.661 20 0 ECADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000187010259 437492474 /nfs/dbraw/zinc/49/24/74/437492474.db2.gz CGPMREDIADDJJF-ZNMIVQPWSA-N 1 3 342.484 0.947 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000343484270 437591632 /nfs/dbraw/zinc/59/16/32/437591632.db2.gz XZIRWKHIHKGNKX-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000343484270 437591637 /nfs/dbraw/zinc/59/16/37/437591637.db2.gz XZIRWKHIHKGNKX-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000340478729 437659106 /nfs/dbraw/zinc/65/91/06/437659106.db2.gz HKUZWPDWLLXDMU-IKGGRYGDSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000340478729 437659108 /nfs/dbraw/zinc/65/91/08/437659108.db2.gz HKUZWPDWLLXDMU-IKGGRYGDSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000340491355 437669769 /nfs/dbraw/zinc/66/97/69/437669769.db2.gz YFYDKFKYBHOEOQ-RHSMWYFYSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000340491355 437669773 /nfs/dbraw/zinc/66/97/73/437669773.db2.gz YFYDKFKYBHOEOQ-RHSMWYFYSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000343920726 437699080 /nfs/dbraw/zinc/69/90/80/437699080.db2.gz HOJYPDXSTAJGJC-JKSUJKDBSA-N 1 3 346.541 0.226 20 0 ECADHO C[C@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000343920726 437699084 /nfs/dbraw/zinc/69/90/84/437699084.db2.gz HOJYPDXSTAJGJC-JKSUJKDBSA-N 1 3 346.541 0.226 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)C[C@H](C)O1 ZINC000344028201 437720395 /nfs/dbraw/zinc/72/03/95/437720395.db2.gz MIBAJLXYUYNHEG-IYBDPMFKSA-N 1 3 328.501 0.438 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCCC2)CC1=O ZINC000356493547 437772351 /nfs/dbraw/zinc/77/23/51/437772351.db2.gz XZZDTCKWIQSOHC-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCCC2)CC1=O ZINC000356493547 437772359 /nfs/dbraw/zinc/77/23/59/437772359.db2.gz XZZDTCKWIQSOHC-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000340790092 437734918 /nfs/dbraw/zinc/73/49/18/437734918.db2.gz HRKMENGSYJYVQV-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000340804304 437740080 /nfs/dbraw/zinc/74/00/80/437740080.db2.gz SYBXUOCUJFWGHT-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000340804304 437740084 /nfs/dbraw/zinc/74/00/84/437740084.db2.gz SYBXUOCUJFWGHT-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340808940 437742462 /nfs/dbraw/zinc/74/24/62/437742462.db2.gz YMDOAPSNKXGCKJ-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340808940 437742464 /nfs/dbraw/zinc/74/24/64/437742464.db2.gz YMDOAPSNKXGCKJ-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362566005 437743587 /nfs/dbraw/zinc/74/35/87/437743587.db2.gz WDMSFSITKAPCAE-ZIAGYGMSSA-N 1 3 334.468 0.242 20 0 ECADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000423743456 437820349 /nfs/dbraw/zinc/82/03/49/437820349.db2.gz MJONUEQYRZRINO-CVEARBPZSA-N 1 3 340.537 0.710 20 0 ECADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000423743456 437820352 /nfs/dbraw/zinc/82/03/52/437820352.db2.gz MJONUEQYRZRINO-CVEARBPZSA-N 1 3 340.537 0.710 20 0 ECADHO Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCC2)ccc1OCCN(C)C ZINC000415567013 437822425 /nfs/dbraw/zinc/82/24/25/437822425.db2.gz XAGWMGAOVDTRBA-UHFFFAOYSA-N 1 3 348.447 0.872 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000356522939 437777359 /nfs/dbraw/zinc/77/73/59/437777359.db2.gz LSMSQPWGAIDRPQ-LSDHHAIUSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000356522939 437777361 /nfs/dbraw/zinc/77/73/61/437777361.db2.gz LSMSQPWGAIDRPQ-LSDHHAIUSA-N 1 3 338.496 0.822 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c(OCCN(C)C)c1 ZINC000415308410 437781060 /nfs/dbraw/zinc/78/10/60/437781060.db2.gz XIYGEJNDMNKZSD-CQSZACIVSA-N 1 3 348.447 0.742 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c(OCCN(C)C)c1 ZINC000415350171 437788085 /nfs/dbraw/zinc/78/80/85/437788085.db2.gz FILIELMXHORQCG-AWEZNQCLSA-N 1 3 348.447 0.681 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)ccc1OCCN(C)C ZINC000415442551 437804845 /nfs/dbraw/zinc/80/48/45/437804845.db2.gz BKFVCFJSSCRKJW-OAHLLOKOSA-N 1 3 348.447 0.727 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nccn1C ZINC000341161972 437804973 /nfs/dbraw/zinc/80/49/73/437804973.db2.gz LGGCUNDOGFFKQR-OAHLLOKOSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nccn1C ZINC000341161972 437804978 /nfs/dbraw/zinc/80/49/78/437804978.db2.gz LGGCUNDOGFFKQR-OAHLLOKOSA-N 1 3 336.484 0.978 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415516310 437813645 /nfs/dbraw/zinc/81/36/45/437813645.db2.gz FPTYTDISJPFBSF-ZIAGYGMSSA-N 1 3 348.447 0.761 20 0 ECADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH3+])ccc1OCCN(C)C ZINC000415512782 437814559 /nfs/dbraw/zinc/81/45/59/437814559.db2.gz VCGHVNLJWZWHCP-GFCCVEGCSA-N 1 3 336.436 0.585 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)C[C@H]1[NH3+] ZINC000415832651 437866913 /nfs/dbraw/zinc/86/69/13/437866913.db2.gz GZJUWLYZHJYMSL-IUODEOHRSA-N 1 3 334.420 0.371 20 0 ECADHO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N(C)CCN)cc1 ZINC000415866312 437874249 /nfs/dbraw/zinc/87/42/49/437874249.db2.gz VFSQZOCFAUXHLX-UHFFFAOYSA-N 1 3 336.436 0.763 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415658511 437839052 /nfs/dbraw/zinc/83/90/52/437839052.db2.gz PVYAQTJVJQLVQO-CYBMUJFWSA-N 1 3 336.436 0.680 20 0 ECADHO CCN1CCN(CCCNC(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000370779002 437839625 /nfs/dbraw/zinc/83/96/25/437839625.db2.gz JOECUAUUEUOCLK-QGZVFWFLSA-N 1 3 326.485 0.146 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN3CCC2CC3)CC1=O ZINC000365018167 437845075 /nfs/dbraw/zinc/84/50/75/437845075.db2.gz NNAXETYDOPWSDL-WBVHZDCISA-N 1 3 348.491 0.626 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN3CCC2CC3)CC1=O ZINC000365018167 437845080 /nfs/dbraw/zinc/84/50/80/437845080.db2.gz NNAXETYDOPWSDL-WBVHZDCISA-N 1 3 348.491 0.626 20 0 ECADHO Cc1cc(NC(=O)CCN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)no1 ZINC000371306291 437918160 /nfs/dbraw/zinc/91/81/60/437918160.db2.gz UCSKLQHTZVLFCD-MRXNPFEDSA-N 1 3 349.479 1.412 20 0 ECADHO Cc1cc(NC(=O)CCN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)no1 ZINC000371306291 437918162 /nfs/dbraw/zinc/91/81/62/437918162.db2.gz UCSKLQHTZVLFCD-MRXNPFEDSA-N 1 3 349.479 1.412 20 0 ECADHO CC[N@H+](CCNC(=O)Nc1cnc(N2CCNCC2)nc1)C(C)C ZINC000415949708 437880800 /nfs/dbraw/zinc/88/08/00/437880800.db2.gz GJZXIPOKFDGLMC-UHFFFAOYSA-N 1 3 335.456 0.738 20 0 ECADHO CC[N@@H+](CCNC(=O)Nc1cnc(N2CCNCC2)nc1)C(C)C ZINC000415949708 437880803 /nfs/dbraw/zinc/88/08/03/437880803.db2.gz GJZXIPOKFDGLMC-UHFFFAOYSA-N 1 3 335.456 0.738 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1(C)C ZINC000416038633 437885473 /nfs/dbraw/zinc/88/54/73/437885473.db2.gz DXOMNLVTEPZMBC-LLVKDONJSA-N 1 3 339.406 0.591 20 0 ECADHO CN(C)CCN(C)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416031001 437886098 /nfs/dbraw/zinc/88/60/98/437886098.db2.gz RRIHDJFGUZROGW-UHFFFAOYSA-N 1 3 349.479 0.996 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424154392 437895045 /nfs/dbraw/zinc/89/50/45/437895045.db2.gz LTPCMGTVQSYWCW-UKRRQHHQSA-N 1 3 332.452 0.949 20 0 ECADHO COCC(C)(C)N1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000424217866 437905415 /nfs/dbraw/zinc/90/54/15/437905415.db2.gz OSUGWZOQGHOUAO-ZDUSSCGKSA-N 1 3 335.452 0.669 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342031700 437948942 /nfs/dbraw/zinc/94/89/42/437948942.db2.gz GSWHVVRDZNFPMO-BMFZPTHFSA-N 1 3 336.480 0.576 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342031700 437948947 /nfs/dbraw/zinc/94/89/47/437948947.db2.gz GSWHVVRDZNFPMO-BMFZPTHFSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)N(C)C1CC1 ZINC000342058166 437953696 /nfs/dbraw/zinc/95/36/96/437953696.db2.gz QITGFKKVXZMEMO-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424549094 437972737 /nfs/dbraw/zinc/97/27/37/437972737.db2.gz QURGHSIOBLLSJI-HYVNUMGLSA-N 1 3 344.459 0.430 20 0 ECADHO C[C@@](O)(CNC1CC[NH+](CCN2CCOCC2)CC1)C(F)(F)F ZINC000371438139 437935824 /nfs/dbraw/zinc/93/58/24/437935824.db2.gz GVIWDWIXNYEBNS-CQSZACIVSA-N 1 3 339.402 0.686 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](C)C[NH3+])cc2)CC1 ZINC000416999083 438013885 /nfs/dbraw/zinc/01/38/85/438013885.db2.gz XPTCYCHTYFNAIL-HNNXBMFYSA-N 1 3 333.480 0.971 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)N(C)C ZINC000357650713 438037633 /nfs/dbraw/zinc/03/76/33/438037633.db2.gz GTBDHGQHMAEMOA-ZDUSSCGKSA-N 1 3 336.436 0.632 20 0 ECADHO CN(C)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000416830384 437996715 /nfs/dbraw/zinc/99/67/15/437996715.db2.gz GVAFJFIVJRNVER-IRXDYDNUSA-N 1 3 334.464 0.837 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000416945291 438006242 /nfs/dbraw/zinc/00/62/42/438006242.db2.gz FEVUUZYFYKWCRN-JKSUJKDBSA-N 1 3 327.517 0.931 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C1=CCN(C)CC1 ZINC000348760069 438094575 /nfs/dbraw/zinc/09/45/75/438094575.db2.gz FCGYMMLUGZWGEH-GJZGRUSLSA-N 1 3 336.480 0.553 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C1=CCN(C)CC1 ZINC000348760069 438094582 /nfs/dbraw/zinc/09/45/82/438094582.db2.gz FCGYMMLUGZWGEH-GJZGRUSLSA-N 1 3 336.480 0.553 20 0 ECADHO COCCNCC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366324677 438055170 /nfs/dbraw/zinc/05/51/70/438055170.db2.gz ODLVAQDTMSEDJB-UHFFFAOYSA-N 1 3 340.512 0.535 20 0 ECADHO COC(=O)CCCN1CCC([NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000342786937 438063066 /nfs/dbraw/zinc/06/30/66/438063066.db2.gz WIEJWYXQQIGILP-UHFFFAOYSA-N 1 3 327.469 0.450 20 0 ECADHO COC[C@@]1(CNC(=O)NC[C@]2(N(C)C)CCSC2)CCC[NH2+]1 ZINC000417808634 438079796 /nfs/dbraw/zinc/07/97/96/438079796.db2.gz AEFUYGOKFYYWKF-LSDHHAIUSA-N 1 3 330.498 0.492 20 0 ECADHO CC[C@H](C)N[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccco1 ZINC000418171789 438114430 /nfs/dbraw/zinc/11/44/30/438114430.db2.gz VQMGBDUYRITVEY-GJZGRUSLSA-N 1 3 337.468 0.913 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418287330 438124048 /nfs/dbraw/zinc/12/40/48/438124048.db2.gz TVJDDZXBCDRITM-OAHLLOKOSA-N 1 3 337.468 0.077 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000418700595 438175728 /nfs/dbraw/zinc/17/57/28/438175728.db2.gz PIBHSYGIDOJFBE-OAHLLOKOSA-N 1 3 341.500 0.700 20 0 ECADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000418757170 438183376 /nfs/dbraw/zinc/18/33/76/438183376.db2.gz DLKCVLXGZJSJRP-HOTGVXAUSA-N 1 3 336.436 0.586 20 0 ECADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000418764830 438183801 /nfs/dbraw/zinc/18/38/01/438183801.db2.gz OMOXWQYWDPSQLL-WBVHZDCISA-N 1 3 349.479 0.501 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000358100790 438151143 /nfs/dbraw/zinc/15/11/43/438151143.db2.gz TYYGINLQLCVNKS-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000358100790 438151146 /nfs/dbraw/zinc/15/11/46/438151146.db2.gz TYYGINLQLCVNKS-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418532107 438157828 /nfs/dbraw/zinc/15/78/28/438157828.db2.gz BVQDTVPJABTLRI-NVXWUHKLSA-N 1 3 326.485 0.768 20 0 ECADHO O=C(CNC(=O)NCC1=CC[NH2+]CC1)NCCN1CCCCCC1 ZINC000418541851 438158321 /nfs/dbraw/zinc/15/83/21/438158321.db2.gz RCKMXDILUIHXFQ-UHFFFAOYSA-N 1 3 337.468 0.198 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418583305 438162285 /nfs/dbraw/zinc/16/22/85/438162285.db2.gz AWIQDTBHUAVUKL-AYBZRNKSSA-N 1 3 346.475 0.921 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCC(=O)NCCN2CCCCCC2)CC[NH2+]1 ZINC000418610009 438165235 /nfs/dbraw/zinc/16/52/35/438165235.db2.gz TWJVGQWHJRNHBW-HUUCEWRRSA-N 1 3 339.484 0.418 20 0 ECADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@H]1CCCN(CCCO)C1 ZINC000418677438 438174051 /nfs/dbraw/zinc/17/40/51/438174051.db2.gz AQMJDHXILSNWMZ-OKZBNKHCSA-N 1 3 346.475 0.888 20 0 ECADHO CCCN(C(=O)C(=O)NCC(C)(C)N1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000418846008 438212377 /nfs/dbraw/zinc/21/23/77/438212377.db2.gz WYWGBPFQVASYHE-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000418849195 438214526 /nfs/dbraw/zinc/21/45/26/438214526.db2.gz CUVVASDQSOZBGA-MRXNPFEDSA-N 1 3 332.448 0.144 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418848939 438215463 /nfs/dbraw/zinc/21/54/63/438215463.db2.gz LZOQKVUVMMMVNY-HOTGVXAUSA-N 1 3 332.448 0.144 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000418851414 438217450 /nfs/dbraw/zinc/21/74/50/438217450.db2.gz PUWIJMZDMIRBQZ-SJORKVTESA-N 1 3 346.475 0.534 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)Cc1ccccc1 ZINC000418857537 438220619 /nfs/dbraw/zinc/22/06/19/438220619.db2.gz ZEKDNWXXWSGNER-INIZCTEOSA-N 1 3 332.448 0.144 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000418860939 438222895 /nfs/dbraw/zinc/22/28/95/438222895.db2.gz FYGAWIZYVZONGC-LSDHHAIUSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000418864116 438224780 /nfs/dbraw/zinc/22/47/80/438224780.db2.gz JRNRLKNKYFEXAL-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000418864116 438224783 /nfs/dbraw/zinc/22/47/83/438224783.db2.gz JRNRLKNKYFEXAL-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](O)CN1CCN(C(=O)CCCN2CCC([NH3+])CC2)C[C@@H]1C ZINC000433134633 438227981 /nfs/dbraw/zinc/22/79/81/438227981.db2.gz GZOXXDLRSREREI-GJZGRUSLSA-N 1 3 326.485 0.103 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418875574 438230813 /nfs/dbraw/zinc/23/08/13/438230813.db2.gz KTHMJGKYEQDUAX-JKSUJKDBSA-N 1 3 332.448 0.129 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418876517 438233115 /nfs/dbraw/zinc/23/31/15/438233115.db2.gz MLXPUPSIVUFRHR-CVEARBPZSA-N 1 3 332.448 0.129 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000418880985 438234122 /nfs/dbraw/zinc/23/41/22/438234122.db2.gz WKNISSCUCMEYFH-QGZVFWFLSA-N 1 3 344.459 0.311 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000351007779 438246876 /nfs/dbraw/zinc/24/68/76/438246876.db2.gz PYTFBCPWNKDLBE-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418829343 438204325 /nfs/dbraw/zinc/20/43/25/438204325.db2.gz DPFGPUHAIWGDFJ-HOTGVXAUSA-N 1 3 334.464 0.375 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000418832299 438204745 /nfs/dbraw/zinc/20/47/45/438204745.db2.gz JWODFDJZJNULHJ-GXTWGEPZSA-N 1 3 340.468 0.205 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418954453 438263185 /nfs/dbraw/zinc/26/31/85/438263185.db2.gz WLOCWEHEYNNWNU-GOEBONIOSA-N 1 3 334.464 0.723 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000418982945 438271835 /nfs/dbraw/zinc/27/18/35/438271835.db2.gz BPHIQGXXDXSPSC-JSGCOSHPSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000418982945 438271837 /nfs/dbraw/zinc/27/18/37/438271837.db2.gz BPHIQGXXDXSPSC-JSGCOSHPSA-N 1 3 340.468 0.206 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419027563 438296516 /nfs/dbraw/zinc/29/65/16/438296516.db2.gz OVCCPDHNJRINNL-XGUBFFRZSA-N 1 3 326.485 0.441 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000358700822 438284769 /nfs/dbraw/zinc/28/47/69/438284769.db2.gz ZBKRIHIUXSQDCC-RDJZCZTQSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000358700822 438284770 /nfs/dbraw/zinc/28/47/70/438284770.db2.gz ZBKRIHIUXSQDCC-RDJZCZTQSA-N 1 3 326.485 0.864 20 0 ECADHO CN(C)C1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000351543053 438285439 /nfs/dbraw/zinc/28/54/39/438285439.db2.gz RTPHSDXUZQQQMT-MRXNPFEDSA-N 1 3 344.459 0.070 20 0 ECADHO NC(=O)[C@H]1CCCN1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000368104125 438288208 /nfs/dbraw/zinc/28/82/08/438288208.db2.gz BIHTVRKZRLMFCG-OAHLLOKOSA-N 1 3 334.464 0.556 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419022851 438290729 /nfs/dbraw/zinc/29/07/29/438290729.db2.gz IUPJOQIVGAJMQH-XUWVNRHRSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419021257 438291818 /nfs/dbraw/zinc/29/18/18/438291818.db2.gz GPRDCOFPDQNLEW-UGUYLWEFSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419022774 438292086 /nfs/dbraw/zinc/29/20/86/438292086.db2.gz IPHFDAXPWRLITK-RBSFLKMASA-N 1 3 336.480 0.505 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419026755 438293541 /nfs/dbraw/zinc/29/35/41/438293541.db2.gz NRGCWBMDPQHHCW-AWEZNQCLSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419024367 438294421 /nfs/dbraw/zinc/29/44/21/438294421.db2.gz KRFIWFDGKUHNRP-QKPAOTATSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000376829869 438294819 /nfs/dbraw/zinc/29/48/19/438294819.db2.gz LFSGOLQISYZKHS-GJZGRUSLSA-N 1 3 334.468 1.535 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000419107816 438323541 /nfs/dbraw/zinc/32/35/41/438323541.db2.gz FLRSYHXKVRJXQJ-OAHLLOKOSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000419119920 438331211 /nfs/dbraw/zinc/33/12/11/438331211.db2.gz KEVQAXCEIDKBOX-FXUDXRNXSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419124667 438334131 /nfs/dbraw/zinc/33/41/31/438334131.db2.gz RJUJLNAKQLEPNB-HNNXBMFYSA-N 1 3 338.496 0.873 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnnn1C ZINC000358953135 438334178 /nfs/dbraw/zinc/33/41/78/438334178.db2.gz QMNKVVNSEKZISV-CQSZACIVSA-N 1 3 337.472 0.373 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnnn1C ZINC000358953135 438334185 /nfs/dbraw/zinc/33/41/85/438334185.db2.gz QMNKVVNSEKZISV-CQSZACIVSA-N 1 3 337.472 0.373 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000419033671 438299392 /nfs/dbraw/zinc/29/93/92/438299392.db2.gz YOGVHIBSJMIZEN-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351674946 438316208 /nfs/dbraw/zinc/31/62/08/438316208.db2.gz OKTCGPJZMXMXKG-QXSJWSMHSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000419555746 438361997 /nfs/dbraw/zinc/36/19/97/438361997.db2.gz HUGDHYCDOUJZQN-OBJOEFQTSA-N 1 3 338.477 0.711 20 0 ECADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000352090766 438379012 /nfs/dbraw/zinc/37/90/12/438379012.db2.gz CKWFIJSJPPZOSI-LZWOXQAQSA-N 1 3 342.484 0.092 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000419947765 438379746 /nfs/dbraw/zinc/37/97/46/438379746.db2.gz DIIGUUHUYMSNNW-SOUVJXGZSA-N 1 3 326.485 0.855 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000419959393 438379885 /nfs/dbraw/zinc/37/98/85/438379885.db2.gz QXSYHOVXUNOCID-JKSUJKDBSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000419959393 438379891 /nfs/dbraw/zinc/37/98/91/438379891.db2.gz QXSYHOVXUNOCID-JKSUJKDBSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419971256 438380314 /nfs/dbraw/zinc/38/03/14/438380314.db2.gz WLKNSTGZDBMWON-HOTGVXAUSA-N 1 3 338.496 0.951 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000352095983 438382660 /nfs/dbraw/zinc/38/26/60/438382660.db2.gz CNZZKZBBUHBAND-WBVHZDCISA-N 1 3 334.464 0.375 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420042485 438383062 /nfs/dbraw/zinc/38/30/62/438383062.db2.gz QUKUTOKZDYEALG-QWHCGFSZSA-N 1 3 328.457 0.016 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000420123137 438387359 /nfs/dbraw/zinc/38/73/59/438387359.db2.gz AVWRUKDLRPZGJS-RRFJBIMHSA-N 1 3 326.485 0.951 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000420123137 438387362 /nfs/dbraw/zinc/38/73/62/438387362.db2.gz AVWRUKDLRPZGJS-RRFJBIMHSA-N 1 3 326.485 0.951 20 0 ECADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000390861152 438437357 /nfs/dbraw/zinc/43/73/57/438437357.db2.gz MATBEPGPQHRCEB-GVDBMIGSSA-N 1 3 333.432 0.117 20 0 ECADHO CN(CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1CC1 ZINC000369259145 438443973 /nfs/dbraw/zinc/44/39/73/438443973.db2.gz YSBVFSAKVUODLQ-UHFFFAOYSA-N 1 3 337.512 0.938 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000359275621 438402054 /nfs/dbraw/zinc/40/20/54/438402054.db2.gz PWZFKQIRFGWCQA-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000359298501 438407211 /nfs/dbraw/zinc/40/72/11/438407211.db2.gz ZJKBBYNAQHNLAA-AWEZNQCLSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000420451857 438408880 /nfs/dbraw/zinc/40/88/80/438408880.db2.gz RBIXKFAMQMQESL-ZDUSSCGKSA-N 1 3 345.513 0.713 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000352729763 438466436 /nfs/dbraw/zinc/46/64/36/438466436.db2.gz WPHJANLOHCWLGN-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000398115860 438452211 /nfs/dbraw/zinc/45/22/11/438452211.db2.gz FQPMXFBVBXCJJM-GOEBONIOSA-N 1 3 342.447 0.877 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000422358317 438558031 /nfs/dbraw/zinc/55/80/31/438558031.db2.gz BTABSWAKMHJAMW-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[C@H](CN(C)C(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000493356395 438620304 /nfs/dbraw/zinc/62/03/04/438620304.db2.gz RGUSYYPVYKAJLN-GEBLCLRISA-N 1 3 338.496 0.821 20 0 ECADHO CC(C)[C@H](CN(C)C(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000493356395 438620306 /nfs/dbraw/zinc/62/03/06/438620306.db2.gz RGUSYYPVYKAJLN-GEBLCLRISA-N 1 3 338.496 0.821 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000422970515 438622465 /nfs/dbraw/zinc/62/24/65/438622465.db2.gz GNFCFJVFGSSVMU-BBRMVZONSA-N 1 3 332.448 0.875 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC[C@H](CC[NH3+])C2)C1 ZINC000443069745 438640028 /nfs/dbraw/zinc/64/00/28/438640028.db2.gz KJXYUNIBUYVAGC-SJORKVTESA-N 1 3 340.512 0.520 20 0 ECADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423137193 438641230 /nfs/dbraw/zinc/64/12/30/438641230.db2.gz ZVYQQZHKUFNDRD-RBSFLKMASA-N 1 3 332.514 0.754 20 0 ECADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423137193 438641232 /nfs/dbraw/zinc/64/12/32/438641232.db2.gz ZVYQQZHKUFNDRD-RBSFLKMASA-N 1 3 332.514 0.754 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@H]1C ZINC000410723617 438641676 /nfs/dbraw/zinc/64/16/76/438641676.db2.gz GVJSXADNSAKUKS-ZBFHGGJFSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@H]1C ZINC000410723617 438641679 /nfs/dbraw/zinc/64/16/79/438641679.db2.gz GVJSXADNSAKUKS-ZBFHGGJFSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423152581 438643593 /nfs/dbraw/zinc/64/35/93/438643593.db2.gz LXFSKBPQADSAHJ-HRCADAONSA-N 1 3 336.480 0.659 20 0 ECADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCN2CC[NH2+]CC2)c1 ZINC000423183892 438646647 /nfs/dbraw/zinc/64/66/47/438646647.db2.gz SFBAUSLBJMADLK-CQSZACIVSA-N 1 3 340.493 0.541 20 0 ECADHO Cc1ccccc1[C@H](CN1CCOCC1)NCCN1CC[NH2+]CC1 ZINC000423201353 438648010 /nfs/dbraw/zinc/64/80/10/438648010.db2.gz IHWYOSGBCPFDNT-IBGZPJMESA-N 1 3 332.492 0.863 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CC[C@@H]1[NH3+] ZINC000423222915 438650744 /nfs/dbraw/zinc/65/07/44/438650744.db2.gz DEUZTWXZYUNGIK-PMPSAXMXSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423378262 438667672 /nfs/dbraw/zinc/66/76/72/438667672.db2.gz WJSZLTQEAIAJJC-GJZGRUSLSA-N 1 3 348.447 0.238 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423379751 438669044 /nfs/dbraw/zinc/66/90/44/438669044.db2.gz NDGSOWVFMYKUCN-HOCLYGCPSA-N 1 3 326.485 0.618 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000447444680 438677227 /nfs/dbraw/zinc/67/72/27/438677227.db2.gz XIVNZQUMLIRQOZ-CABCVRRESA-N 1 3 348.447 0.686 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423496228 438680871 /nfs/dbraw/zinc/68/08/71/438680871.db2.gz GCRJZJWGTHGMFF-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423518629 438682701 /nfs/dbraw/zinc/68/27/01/438682701.db2.gz VAGYFDONJCLEBD-DLBZAZTESA-N 1 3 346.475 0.738 20 0 ECADHO CNC(=O)c1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414989605 438724548 /nfs/dbraw/zinc/72/45/48/438724548.db2.gz QRPYCJWJKAPNOL-CQSZACIVSA-N 1 3 344.381 0.972 20 0 ECADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)NC1CNC1 ZINC000557265179 438797289 /nfs/dbraw/zinc/79/72/89/438797289.db2.gz GDCAYETWIUFDNM-UHFFFAOYSA-N 1 3 330.432 0.377 20 0 ECADHO COC[C@]1(CNC(=O)[C@@H]2CCCN2C2CCOCC2)CCC[NH2+]1 ZINC000575866960 438758077 /nfs/dbraw/zinc/75/80/77/438758077.db2.gz UXQVLZICDKZJLZ-DOTOQJQBSA-N 1 3 325.453 0.515 20 0 ECADHO COC[C@H](O)CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000576100896 438768351 /nfs/dbraw/zinc/76/83/51/438768351.db2.gz HYRCRNUOLJCTCN-DLBZAZTESA-N 1 3 335.448 0.481 20 0 ECADHO COC[C@H](O)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000576100896 438768354 /nfs/dbraw/zinc/76/83/54/438768354.db2.gz HYRCRNUOLJCTCN-DLBZAZTESA-N 1 3 335.448 0.481 20 0 ECADHO CC[C@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576308788 438777893 /nfs/dbraw/zinc/77/78/93/438777893.db2.gz CYBATQQQUUTWLK-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CN1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](CN)C1 ZINC000514590425 438815904 /nfs/dbraw/zinc/81/59/04/438815904.db2.gz OZOSAMPGCCWCJN-HNNXBMFYSA-N 1 3 325.501 0.925 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000595967844 438904367 /nfs/dbraw/zinc/90/43/67/438904367.db2.gz WQWXDKQJMSESTE-BZUAXINKSA-N 1 3 349.431 0.537 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C(C)(C)C[NH+](C)C ZINC000515395117 438867100 /nfs/dbraw/zinc/86/71/00/438867100.db2.gz GSAUHQSOODFCIR-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CN1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)cn2)CC1 ZINC000515483367 438869266 /nfs/dbraw/zinc/86/92/66/438869266.db2.gz QBASKMXHGZHHOB-PKOBYXMFSA-N 1 3 345.491 0.690 20 0 ECADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2NCCc3ccccc32)n1 ZINC000577829088 438874380 /nfs/dbraw/zinc/87/43/80/438874380.db2.gz OWGPAUYDDCFTSZ-INIZCTEOSA-N 1 3 342.447 1.453 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000577856818 438875819 /nfs/dbraw/zinc/87/58/19/438875819.db2.gz KINIAMGWQIWQDS-NNXHMXCWSA-N 1 3 348.491 0.657 20 0 ECADHO COC(=O)c1cn(C2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)nn1 ZINC000595892043 438879187 /nfs/dbraw/zinc/87/91/87/438879187.db2.gz KAQKKACCCWCNRM-CYBMUJFWSA-N 1 3 335.408 0.223 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000564935895 438890725 /nfs/dbraw/zinc/89/07/25/438890725.db2.gz GJJXWIJUOMNFKI-CHWSQXEVSA-N 1 3 327.473 0.354 20 0 ECADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C1CC1 ZINC000565359214 438944789 /nfs/dbraw/zinc/94/47/89/438944789.db2.gz OQPMYXMZQSCQPK-QILLFSRXSA-N 1 3 335.496 0.848 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000565470169 438953489 /nfs/dbraw/zinc/95/34/89/438953489.db2.gz GAZONMXZRHEZHM-IXDOHACOSA-N 1 3 337.512 0.938 20 0 ECADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000565491019 438955673 /nfs/dbraw/zinc/95/56/73/438955673.db2.gz LYNZCDXSMAMNID-CVEARBPZSA-N 1 3 345.447 0.202 20 0 ECADHO O=C(CNC1CC[NH+](CCc2ccccc2)CC1)N1CCNCC1 ZINC000566087826 439003054 /nfs/dbraw/zinc/00/30/54/439003054.db2.gz VFMDWSUXVKBUBU-UHFFFAOYSA-N 1 3 330.476 0.715 20 0 ECADHO O=C(C[NH2+]C1CCN(CCc2ccccc2)CC1)N1CCNCC1 ZINC000566087826 439003059 /nfs/dbraw/zinc/00/30/59/439003059.db2.gz VFMDWSUXVKBUBU-UHFFFAOYSA-N 1 3 330.476 0.715 20 0 ECADHO CN(CCC[NH2+]C[C@@H](O)CN1CCN(C)CC1)Cc1ccccc1 ZINC000519142006 439022724 /nfs/dbraw/zinc/02/27/24/439022724.db2.gz VFRMGMJCZOGFTB-LJQANCHMSA-N 1 3 334.508 0.706 20 0 ECADHO CN1CCN(C[C@H](O)CNCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000519142006 439022729 /nfs/dbraw/zinc/02/27/29/439022729.db2.gz VFRMGMJCZOGFTB-LJQANCHMSA-N 1 3 334.508 0.706 20 0 ECADHO CN1CCN(C[C@H](O)CNCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000519142006 439022735 /nfs/dbraw/zinc/02/27/35/439022735.db2.gz VFRMGMJCZOGFTB-LJQANCHMSA-N 1 3 334.508 0.706 20 0 ECADHO CN(C)C(=O)CCN1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000579720989 439033330 /nfs/dbraw/zinc/03/33/30/439033330.db2.gz VHOKKKUSZMGCKK-UHFFFAOYSA-N 1 3 330.476 0.928 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471643260 439088166 /nfs/dbraw/zinc/08/81/66/439088166.db2.gz PQMKVMKSIRGGSE-UHFFFAOYSA-N 1 3 343.516 0.280 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@]3(C[NH3+])CCCOC3)C2)CC1 ZINC000602480681 439096404 /nfs/dbraw/zinc/09/64/04/439096404.db2.gz IPKMULOJEZLWOU-AEFFLSMTSA-N 1 3 338.496 0.369 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000580540856 439101153 /nfs/dbraw/zinc/10/11/53/439101153.db2.gz XKEAOKZVQJBLGI-LSDHHAIUSA-N 1 3 349.483 0.862 20 0 ECADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCNCC3)cc2)CC1 ZINC000521003963 439103040 /nfs/dbraw/zinc/10/30/40/439103040.db2.gz KVVNVCBTYGNQJI-UHFFFAOYSA-N 1 3 345.491 0.939 20 0 ECADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000567251036 439127717 /nfs/dbraw/zinc/12/77/17/439127717.db2.gz LAJNVFPHLQOCEZ-UHFFFAOYSA-N 1 3 332.448 0.445 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000580904579 439146010 /nfs/dbraw/zinc/14/60/10/439146010.db2.gz YHIRIFLLISAVJC-ARFHVFGLSA-N 1 3 338.496 0.809 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)N(C)C)cc1 ZINC000567594564 439153804 /nfs/dbraw/zinc/15/38/04/439153804.db2.gz MKAYQZVKKNDAAI-MRXNPFEDSA-N 1 3 332.448 0.982 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H](O)C(F)F)CC2)CC1 ZINC000489394273 439223929 /nfs/dbraw/zinc/22/39/29/439223929.db2.gz PJWQKTZQAVMNRP-CYBMUJFWSA-N 1 3 334.411 0.470 20 0 ECADHO Cc1noc(CCCN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000567891185 439193759 /nfs/dbraw/zinc/19/37/59/439193759.db2.gz LCEDJZJPFZFOST-LSDHHAIUSA-N 1 3 335.452 0.891 20 0 ECADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567926436 439198439 /nfs/dbraw/zinc/19/84/39/439198439.db2.gz ITFCIHFEHZTSDF-MYPMTAMASA-N 1 3 337.468 0.107 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)C2)CC1 ZINC000568508692 439252909 /nfs/dbraw/zinc/25/29/09/439252909.db2.gz LNURRXCENFYGII-SJORKVTESA-N 1 3 338.496 0.382 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568730878 439271775 /nfs/dbraw/zinc/27/17/75/439271775.db2.gz QYNHSZKIQVEXLS-YCPHGPKFSA-N 1 3 336.480 0.866 20 0 ECADHO CN1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000582290826 439313477 /nfs/dbraw/zinc/31/34/77/439313477.db2.gz MDHDFLWKRLIIJY-ROUUACIJSA-N 1 3 345.491 0.793 20 0 ECADHO CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000582290826 439313482 /nfs/dbraw/zinc/31/34/82/439313482.db2.gz MDHDFLWKRLIIJY-ROUUACIJSA-N 1 3 345.491 0.793 20 0 ECADHO COCCCN1CCC(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592959315 439321959 /nfs/dbraw/zinc/32/19/59/439321959.db2.gz RHAGTNYJRQPRJL-AWEZNQCLSA-N 1 3 349.479 0.950 20 0 ECADHO CC[NH+]1CCC(NC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC1 ZINC000604633135 439322764 /nfs/dbraw/zinc/32/27/64/439322764.db2.gz UUMIDYPPPUFELP-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000569566607 439343524 /nfs/dbraw/zinc/34/35/24/439343524.db2.gz BSIAXHGBNZXOKQ-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)C(=O)NCCN1CCCCC1 ZINC000582723899 439372257 /nfs/dbraw/zinc/37/22/57/439372257.db2.gz VVHIXQQAZSUHBM-CABCVRRESA-N 1 3 336.480 0.483 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)NC[C@H]2CCCN2CCOC)CC1 ZINC000569934619 439376825 /nfs/dbraw/zinc/37/68/25/439376825.db2.gz KMQNXQFGCOHVKZ-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO CCN1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000569986659 439380307 /nfs/dbraw/zinc/38/03/07/439380307.db2.gz DEPVZDXWYVEGRO-UHFFFAOYSA-N 1 3 336.480 0.831 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(CO)CCOC3)CC2)CC1 ZINC000569987000 439380674 /nfs/dbraw/zinc/38/06/74/439380674.db2.gz MLMKXQABKZIPRH-SFHVURJKSA-N 1 3 339.480 0.450 20 0 ECADHO C[C@H](NCC(=O)N1CCNCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570035793 439385286 /nfs/dbraw/zinc/38/52/86/439385286.db2.gz USRGDETYMRYGOF-WMZOPIPTSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@H](NCC(=O)N1CCNCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570035793 439385289 /nfs/dbraw/zinc/38/52/89/439385289.db2.gz USRGDETYMRYGOF-WMZOPIPTSA-N 1 3 330.476 0.918 20 0 ECADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000582839330 439385542 /nfs/dbraw/zinc/38/55/42/439385542.db2.gz WMPDMPIFVOFDQZ-CVEARBPZSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000529355716 439412958 /nfs/dbraw/zinc/41/29/58/439412958.db2.gz MZDBRFIPHSKPEO-IXDOHACOSA-N 1 3 349.523 0.938 20 0 ECADHO C[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000606699730 439420961 /nfs/dbraw/zinc/42/09/61/439420961.db2.gz TXQHKKGNQCYSLZ-ZBFHGGJFSA-N 1 3 326.485 0.863 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000607239999 439445713 /nfs/dbraw/zinc/44/57/13/439445713.db2.gz UQYWEWOPPHRNFF-UHFFFAOYSA-N 1 3 349.479 0.463 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000583310421 439447450 /nfs/dbraw/zinc/44/74/50/439447450.db2.gz UOPVUEIBJOOYQN-CQSZACIVSA-N 1 3 348.447 0.906 20 0 ECADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC2CNC2)CC1 ZINC000570308083 439408901 /nfs/dbraw/zinc/40/89/01/439408901.db2.gz QLXJGIYDYGJWOI-UHFFFAOYSA-N 1 3 344.459 0.623 20 0 ECADHO O=S1(=O)CCC(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530242374 439493215 /nfs/dbraw/zinc/49/32/15/439493215.db2.gz UAPKQYOIOVRVSL-MRXNPFEDSA-N 1 3 330.494 0.902 20 0 ECADHO CC(C)NC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736171 439456936 /nfs/dbraw/zinc/45/69/36/439456936.db2.gz IQARLSNDPWKUFM-AJNGGQMLSA-N 1 3 340.468 0.827 20 0 ECADHO C[NH+](C)CCOc1ccc(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000594736335 439598277 /nfs/dbraw/zinc/59/82/77/439598277.db2.gz AOMAHOGRRPGNCJ-WBVHZDCISA-N 1 3 332.448 0.371 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000584541714 439600519 /nfs/dbraw/zinc/60/05/19/439600519.db2.gz VTYXFDMTBGFIGA-WBVHZDCISA-N 1 3 346.475 0.473 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000572736817 439606365 /nfs/dbraw/zinc/60/63/65/439606365.db2.gz FPDDESCAADYTNX-INIZCTEOSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000572824799 439610396 /nfs/dbraw/zinc/61/03/96/439610396.db2.gz XNMBLLJILCQFMJ-ZACQAIPSSA-N 1 3 337.512 0.938 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCC(=O)NC)CC2)CC1 ZINC000584730334 439611988 /nfs/dbraw/zinc/61/19/88/439611988.db2.gz PXGRWOCHUQSFHR-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[N@H+](CC)C[C@H]3C)C2)CC1 ZINC000610678932 439638637 /nfs/dbraw/zinc/63/86/37/439638637.db2.gz GTLCVZZPZGMWDZ-BRWVUGGUSA-N 1 3 337.512 0.748 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[N@@H+](CC)C[C@H]3C)C2)CC1 ZINC000610678932 439638642 /nfs/dbraw/zinc/63/86/42/439638642.db2.gz GTLCVZZPZGMWDZ-BRWVUGGUSA-N 1 3 337.512 0.748 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000573348676 439641735 /nfs/dbraw/zinc/64/17/35/439641735.db2.gz YCGQNYYDTDWZIR-INIZCTEOSA-N 1 3 331.464 0.662 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000573348676 439641739 /nfs/dbraw/zinc/64/17/39/439641739.db2.gz YCGQNYYDTDWZIR-INIZCTEOSA-N 1 3 331.464 0.662 20 0 ECADHO CN(C)CCN(Cc1ccccn1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000573485983 439648764 /nfs/dbraw/zinc/64/87/64/439648764.db2.gz TWVKDCNDWRXATL-MRXNPFEDSA-N 1 3 347.463 0.230 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N3CCN(C)C[C@H]3C[NH3+])cc2)CC1 ZINC000574569650 439713040 /nfs/dbraw/zinc/71/30/40/439713040.db2.gz WXTRSADLRMLDFO-GOSISDBHSA-N 1 3 345.491 0.543 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595275006 439688777 /nfs/dbraw/zinc/68/87/77/439688777.db2.gz DEXLSXJYMYMLKR-JKSUJKDBSA-N 1 3 349.479 0.062 20 0 ECADHO COC(=O)CCNC(=O)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000600708853 439694171 /nfs/dbraw/zinc/69/41/71/439694171.db2.gz HPVCZQFLFYDDGR-QLFBSQMISA-N 1 3 325.453 0.956 20 0 ECADHO [NH3+]C/C=C/CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923480 439746090 /nfs/dbraw/zinc/74/60/90/439746090.db2.gz CKJICSPBEQPHSI-VSZDKKFSSA-N 1 3 347.467 0.223 20 0 ECADHO CC[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923450 439746118 /nfs/dbraw/zinc/74/61/18/439746118.db2.gz IIACTNZRBAMFTP-ZIAGYGMSSA-N 1 3 349.483 0.446 20 0 ECADHO CN(C)CCN(C)C(=O)c1cccc(C(=O)N(C)CC[NH+](C)C)c1N ZINC000611826590 439732116 /nfs/dbraw/zinc/73/21/16/439732116.db2.gz PYASMVCKIZGOGC-UHFFFAOYSA-N 1 3 349.479 0.536 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CN1C1CC1 ZINC000662754023 439873122 /nfs/dbraw/zinc/87/31/22/439873122.db2.gz BITIKBJBZXCHBI-VNHYZAJKSA-N 1 3 332.452 0.948 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662875247 439923016 /nfs/dbraw/zinc/92/30/16/439923016.db2.gz UHTCFMLXXCMKJE-UHFFFAOYSA-N 1 3 332.448 0.424 20 0 ECADHO Cn1c2cc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)ccc2oc1=O ZINC000631820777 439934079 /nfs/dbraw/zinc/93/40/79/439934079.db2.gz FVYGIMFSLXWBQA-ZDUSSCGKSA-N 1 3 332.404 0.418 20 0 ECADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000662759567 439882397 /nfs/dbraw/zinc/88/23/97/439882397.db2.gz UVCDNNHGYVDUMO-DLBZAZTESA-N 1 3 347.463 0.074 20 0 ECADHO CC(C)CN1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000617504259 439897696 /nfs/dbraw/zinc/89/76/96/439897696.db2.gz NDJLDJWHCZAWHY-HOTGVXAUSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)CN1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000617504259 439897701 /nfs/dbraw/zinc/89/77/01/439897701.db2.gz NDJLDJWHCZAWHY-HOTGVXAUSA-N 1 3 340.512 0.879 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)[C@@H]2C1 ZINC000662807194 439898522 /nfs/dbraw/zinc/89/85/22/439898522.db2.gz XLERXKLDSQJDDR-IIAWOOMASA-N 1 3 332.452 0.759 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(CNC(N)=O)cc1 ZINC000617504385 439900490 /nfs/dbraw/zinc/90/04/90/439900490.db2.gz TUXKLKXCGLPGMD-AWEZNQCLSA-N 1 3 349.479 0.857 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(CNC(N)=O)cc1 ZINC000617504385 439900498 /nfs/dbraw/zinc/90/04/98/439900498.db2.gz TUXKLKXCGLPGMD-AWEZNQCLSA-N 1 3 349.479 0.857 20 0 ECADHO CO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507910 439904026 /nfs/dbraw/zinc/90/40/26/439904026.db2.gz OLJAHJJFQDHBCP-ARFHVFGLSA-N 1 3 329.485 0.816 20 0 ECADHO CO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507910 439904033 /nfs/dbraw/zinc/90/40/33/439904033.db2.gz OLJAHJJFQDHBCP-ARFHVFGLSA-N 1 3 329.485 0.816 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)Cc1ccccc1 ZINC000652666921 439906642 /nfs/dbraw/zinc/90/66/42/439906642.db2.gz XGAYZYKUALUGSG-MRXNPFEDSA-N 1 3 346.475 0.521 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652675459 439912278 /nfs/dbraw/zinc/91/22/78/439912278.db2.gz XWHNRSFXNSHXGU-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652673596 439912534 /nfs/dbraw/zinc/91/25/34/439912534.db2.gz VDSKRXMTPUHJIM-AWEZNQCLSA-N 1 3 338.496 0.858 20 0 ECADHO C(CN1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1)N1CCOCC1 ZINC000641786113 439915325 /nfs/dbraw/zinc/91/53/25/439915325.db2.gz NYRLPSMCQQUXGK-GBESFXJTSA-N 1 3 336.524 0.999 20 0 ECADHO C(CN1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1)N1CCOCC1 ZINC000641786113 439915332 /nfs/dbraw/zinc/91/53/32/439915332.db2.gz NYRLPSMCQQUXGK-GBESFXJTSA-N 1 3 336.524 0.999 20 0 ECADHO O=C(CCOC1C[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662860130 439916755 /nfs/dbraw/zinc/91/67/55/439916755.db2.gz QSRDGYRYMPRWOY-INIZCTEOSA-N 1 3 333.432 0.248 20 0 ECADHO C[NH2+]CCOCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000626940005 439967545 /nfs/dbraw/zinc/96/75/45/439967545.db2.gz QNAPVJZLSNMOEI-UHFFFAOYSA-N 1 3 344.525 0.883 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626965898 439972454 /nfs/dbraw/zinc/97/24/54/439972454.db2.gz NXRMZYVZDYRSRF-MRXNPFEDSA-N 1 3 342.484 0.365 20 0 ECADHO N[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@H]1c1ccccc1 ZINC000647029996 439975324 /nfs/dbraw/zinc/97/53/24/439975324.db2.gz OEQNXGPPHRPPQU-LSDHHAIUSA-N 1 3 328.420 0.584 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636647716 439975848 /nfs/dbraw/zinc/97/58/48/439975848.db2.gz IPJYEOBVNNUEDQ-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636647716 439975855 /nfs/dbraw/zinc/97/58/55/439975855.db2.gz IPJYEOBVNNUEDQ-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCCC[C@H]2CC)CC[C@@H]1[NH3+] ZINC000642431159 439981553 /nfs/dbraw/zinc/98/15/53/439981553.db2.gz HLFWYYULETXOMI-OAGGEKHMSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000658536765 439984639 /nfs/dbraw/zinc/98/46/39/439984639.db2.gz QSKRGULOJJYNJV-HRCADAONSA-N 1 3 338.496 0.491 20 0 ECADHO C[C@@H]1CN(CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C[NH3+] ZINC000631841115 439936407 /nfs/dbraw/zinc/93/64/07/439936407.db2.gz YGBUMEYKSLMJEH-HZPDHXFCSA-N 1 3 331.464 0.647 20 0 ECADHO C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1CN ZINC000631841115 439936415 /nfs/dbraw/zinc/93/64/15/439936415.db2.gz YGBUMEYKSLMJEH-HZPDHXFCSA-N 1 3 331.464 0.647 20 0 ECADHO C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1CN ZINC000631841115 439936419 /nfs/dbraw/zinc/93/64/19/439936419.db2.gz YGBUMEYKSLMJEH-HZPDHXFCSA-N 1 3 331.464 0.647 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000626893497 439944382 /nfs/dbraw/zinc/94/43/82/439944382.db2.gz YBQGZOOYPZAUPF-UHFFFAOYSA-N 1 3 336.436 0.477 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642119463 439951246 /nfs/dbraw/zinc/95/12/46/439951246.db2.gz RTFJQGYSCBTICD-AWEZNQCLSA-N 1 3 338.496 0.871 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)ccc1OCCN(C)C ZINC000626911922 439954772 /nfs/dbraw/zinc/95/47/72/439954772.db2.gz RLNYMCWPHXOLCU-DZGCQCFKSA-N 1 3 348.447 0.741 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCCN1CCN(CC)CC1 ZINC000626937724 439964465 /nfs/dbraw/zinc/96/44/65/439964465.db2.gz XRYVGSCAJJYIMR-JKSUJKDBSA-N 1 3 325.501 0.844 20 0 ECADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCN1CC[C@@H](O)C1 ZINC000636620134 439964992 /nfs/dbraw/zinc/96/49/92/439964992.db2.gz VYGIEGVAXOPNAP-IAGOWNOFSA-N 1 3 334.464 0.525 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631926337 439989546 /nfs/dbraw/zinc/98/95/46/439989546.db2.gz UXLICPVDCOLXMP-QLFBSQMISA-N 1 3 346.541 0.871 20 0 ECADHO O=C(C[NH2+]CC1CC1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013455 439989639 /nfs/dbraw/zinc/98/96/39/439989639.db2.gz CMBMBVKMEPKDAR-HNNXBMFYSA-N 1 3 346.479 0.525 20 0 ECADHO CC1(C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C[NH2+]C1 ZINC000663016125 439989670 /nfs/dbraw/zinc/98/96/70/439989670.db2.gz ABQOIGJOPUSJDY-CYBMUJFWSA-N 1 3 332.452 0.135 20 0 ECADHO CN(C)CCOCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627018840 439990018 /nfs/dbraw/zinc/99/00/18/439990018.db2.gz IANABXXYIJKAPA-NWDGAFQWSA-N 1 3 340.390 0.733 20 0 ECADHO C[C@]1(C(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]C1 ZINC000663014656 439990487 /nfs/dbraw/zinc/99/04/87/439990487.db2.gz MYDRFVIKOXVKFM-KSSFIOAISA-N 1 3 346.479 0.525 20 0 ECADHO NCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640841 439997534 /nfs/dbraw/zinc/99/75/34/439997534.db2.gz BFFSKSJAZGBPBA-BRWVUGGUSA-N 1 3 344.459 0.478 20 0 ECADHO NCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640841 439997542 /nfs/dbraw/zinc/99/75/42/439997542.db2.gz BFFSKSJAZGBPBA-BRWVUGGUSA-N 1 3 344.459 0.478 20 0 ECADHO CN(C)CCCS(=O)(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000631944027 440000328 /nfs/dbraw/zinc/00/03/28/440000328.db2.gz LVQBZYFEGBAJKK-UHFFFAOYSA-N 1 3 332.514 0.074 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000631949116 440004719 /nfs/dbraw/zinc/00/47/19/440004719.db2.gz XYGCQSPPLIXLLB-KFWWJZLASA-N 1 3 333.498 0.629 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000631958625 440010496 /nfs/dbraw/zinc/01/04/96/440010496.db2.gz YQNQGMXUJWGUFK-HNNXBMFYSA-N 1 3 333.498 0.358 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000631974070 440019918 /nfs/dbraw/zinc/01/99/18/440019918.db2.gz SKDNHSCIBXHRBW-GXFFZTMASA-N 1 3 329.470 0.172 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CCCCC1 ZINC000642785744 440038765 /nfs/dbraw/zinc/03/87/65/440038765.db2.gz GSRMIHHWCCQEKC-CVEARBPZSA-N 1 3 336.480 0.611 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)CCO1 ZINC000647233870 440024901 /nfs/dbraw/zinc/02/49/01/440024901.db2.gz GGKSXXHVOCGMJB-WFASDCNBSA-N 1 3 327.450 0.485 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000627163486 440027530 /nfs/dbraw/zinc/02/75/30/440027530.db2.gz LYJRSECTNBXLRC-LSDHHAIUSA-N 1 3 325.501 0.842 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642948165 440068239 /nfs/dbraw/zinc/06/82/39/440068239.db2.gz DJNQGSYQIKTLEY-IRXDYDNUSA-N 1 3 346.475 0.819 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000642985484 440075762 /nfs/dbraw/zinc/07/57/62/440075762.db2.gz WXTPXUFQBUGIEM-WCVJEAGWSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@]1(CN2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]C1 ZINC000663512464 440090669 /nfs/dbraw/zinc/09/06/69/440090669.db2.gz MVUUZKHGYKLYIT-YJBOKZPZSA-N 1 3 332.496 0.998 20 0 ECADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642789424 440041517 /nfs/dbraw/zinc/04/15/17/440041517.db2.gz BPFSVEGRJFSALS-XHSDSOJGSA-N 1 3 336.480 0.433 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642895234 440053528 /nfs/dbraw/zinc/05/35/28/440053528.db2.gz QWLPCMNBONXYPO-MRXNPFEDSA-N 1 3 332.448 0.445 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000643392023 440133646 /nfs/dbraw/zinc/13/36/46/440133646.db2.gz LAYVFWWFDOGMOB-ZBFHGGJFSA-N 1 3 338.496 0.774 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCN(CC)C1 ZINC000658827759 440140761 /nfs/dbraw/zinc/14/07/61/440140761.db2.gz WLGFKAVZPBNSAL-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)N1CCCCCC1 ZINC000618305633 440098891 /nfs/dbraw/zinc/09/88/91/440098891.db2.gz AUSRAJJGRZOTPA-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@H]1CCN(CC3CC3)C1)C2 ZINC000627380665 440168138 /nfs/dbraw/zinc/16/81/38/440168138.db2.gz VTTWFVMHBOGOHH-JCGIZDLHSA-N 1 3 334.464 0.045 20 0 ECADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000643455562 440171040 /nfs/dbraw/zinc/17/10/40/440171040.db2.gz WHIXCEXBRLASTQ-SXLOBPIMSA-N 1 3 346.519 0.941 20 0 ECADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000643455562 440171046 /nfs/dbraw/zinc/17/10/46/440171046.db2.gz WHIXCEXBRLASTQ-SXLOBPIMSA-N 1 3 346.519 0.941 20 0 ECADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCCS1(=O)=O ZINC000643468751 440175877 /nfs/dbraw/zinc/17/58/77/440175877.db2.gz RHUWCHJRSUGTOX-HOCLYGCPSA-N 1 3 325.478 0.960 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478932 440180128 /nfs/dbraw/zinc/18/01/28/440180128.db2.gz QZGYNQHJYCCHSM-HNNXBMFYSA-N 1 3 345.447 0.318 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494586 440185415 /nfs/dbraw/zinc/18/54/15/440185415.db2.gz BTNUYIAUEULJOA-BBWFWOEESA-N 1 3 348.491 0.674 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCCCC3)C[C@@H]12 ZINC000643494601 440187283 /nfs/dbraw/zinc/18/72/83/440187283.db2.gz HWCNBMOKTQZJBK-YYIAUSFCSA-N 1 3 348.491 0.659 20 0 ECADHO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494675 440187570 /nfs/dbraw/zinc/18/75/70/440187570.db2.gz XVFNDRNHHIZJKS-BRWVUGGUSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC000643526035 440201161 /nfs/dbraw/zinc/20/11/61/440201161.db2.gz OAYGMWPWTXLEPM-XHSDSOJGSA-N 1 3 336.480 0.671 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643503532 440189412 /nfs/dbraw/zinc/18/94/12/440189412.db2.gz RFNRNOVAGGXEOV-RDJZCZTQSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC[C@@H]1[NH3+] ZINC000643510657 440191756 /nfs/dbraw/zinc/19/17/56/440191756.db2.gz LEZVCOYNSAVNLE-PMPSAXMXSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643516632 440195888 /nfs/dbraw/zinc/19/58/88/440195888.db2.gz CSBLXACFPIBBMU-IIDMSEBBSA-N 1 3 334.464 0.284 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000627425916 440196650 /nfs/dbraw/zinc/19/66/50/440196650.db2.gz DOMPXDWMFMOWAE-UHFFFAOYSA-N 1 3 347.463 0.217 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627427315 440197784 /nfs/dbraw/zinc/19/77/84/440197784.db2.gz BPBRCWVWQSIJJK-HOCLYGCPSA-N 1 3 348.491 0.910 20 0 ECADHO C[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C[NH+]1CCCC1 ZINC000663736298 440163684 /nfs/dbraw/zinc/16/36/84/440163684.db2.gz KONKFZMZFUFTIR-OAHLLOKOSA-N 1 3 341.500 0.380 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000627445861 440210682 /nfs/dbraw/zinc/21/06/82/440210682.db2.gz AFCPIGIXOUCKEO-HZPDHXFCSA-N 1 3 348.491 0.864 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000627445860 440210856 /nfs/dbraw/zinc/21/08/56/440210856.db2.gz AFCPIGIXOUCKEO-HOTGVXAUSA-N 1 3 348.491 0.864 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000627445859 440211773 /nfs/dbraw/zinc/21/17/73/440211773.db2.gz AFCPIGIXOUCKEO-CVEARBPZSA-N 1 3 348.491 0.864 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000627458434 440216454 /nfs/dbraw/zinc/21/64/54/440216454.db2.gz GKCPHSCKCZSULS-FXUDXRNXSA-N 1 3 336.480 0.717 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000647994419 440207603 /nfs/dbraw/zinc/20/76/03/440207603.db2.gz FSGLZGDYQILORB-HOTGVXAUSA-N 1 3 326.485 0.815 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000643545269 440208052 /nfs/dbraw/zinc/20/80/52/440208052.db2.gz UGIUWBNPLMJXKP-WCVJEAGWSA-N 1 3 334.464 0.282 20 0 ECADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CN2CCCC[C@@H](N)C2=O)CC1 ZINC000648178544 440254652 /nfs/dbraw/zinc/25/46/52/440254652.db2.gz RYBVPNLWQKQUOB-GDBMZVCRSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000664183065 440251229 /nfs/dbraw/zinc/25/12/29/440251229.db2.gz PZXIVGITHNGZQV-HNNXBMFYSA-N 1 3 339.484 0.132 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000664183065 440251237 /nfs/dbraw/zinc/25/12/37/440251237.db2.gz PZXIVGITHNGZQV-HNNXBMFYSA-N 1 3 339.484 0.132 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637403005 440261014 /nfs/dbraw/zinc/26/10/14/440261014.db2.gz GXPLFIMRKCNAIC-KKUMJFAQSA-N 1 3 339.484 0.308 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637403005 440261019 /nfs/dbraw/zinc/26/10/19/440261019.db2.gz GXPLFIMRKCNAIC-KKUMJFAQSA-N 1 3 339.484 0.308 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cn(CC[NH3+])nn1 ZINC000659317439 440295855 /nfs/dbraw/zinc/29/58/55/440295855.db2.gz LZCBMLXRDXLRPR-UHFFFAOYSA-N 1 3 334.399 0.580 20 0 ECADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654351044 440298984 /nfs/dbraw/zinc/29/89/84/440298984.db2.gz AVIPQBMTPPJVLT-OKZBNKHCSA-N 1 3 344.459 0.721 20 0 ECADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654351044 440298989 /nfs/dbraw/zinc/29/89/89/440298989.db2.gz AVIPQBMTPPJVLT-OKZBNKHCSA-N 1 3 344.459 0.721 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CN1C1CC1 ZINC000664367583 440298995 /nfs/dbraw/zinc/29/89/95/440298995.db2.gz LVGXQWLRZBYJRO-CPUCHLNUSA-N 1 3 336.480 0.852 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CN1C1CC1 ZINC000664367583 440298999 /nfs/dbraw/zinc/29/89/99/440298999.db2.gz LVGXQWLRZBYJRO-CPUCHLNUSA-N 1 3 336.480 0.852 20 0 ECADHO CC1CC[NH+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659430709 440321920 /nfs/dbraw/zinc/32/19/20/440321920.db2.gz IFMIIOZOLAATMG-UHFFFAOYSA-N 1 3 336.440 0.562 20 0 ECADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CNCCOC)cc1 ZINC000659352726 440303686 /nfs/dbraw/zinc/30/36/86/440303686.db2.gz BNWAIFNERMSIBV-IRXDYDNUSA-N 1 3 335.448 0.883 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NCC12CC(C1)C[NH2+]2 ZINC000659481261 440338666 /nfs/dbraw/zinc/33/86/66/440338666.db2.gz WIGIPWWGTSGEMJ-LTCLLZNKSA-N 1 3 344.459 0.804 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000659525104 440352302 /nfs/dbraw/zinc/35/23/02/440352302.db2.gz WCCMNCGSIYFCOY-ZIAGYGMSSA-N 1 3 327.473 0.165 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000659550441 440362145 /nfs/dbraw/zinc/36/21/45/440362145.db2.gz GRLNFXMBVCNAFU-CQSZACIVSA-N 1 3 327.473 0.180 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(F)c1 ZINC000659559174 440363350 /nfs/dbraw/zinc/36/33/50/440363350.db2.gz LJAVPEICZJMQRA-UHFFFAOYSA-N 1 3 334.355 0.238 20 0 ECADHO C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C[NH+]1CCCCC1 ZINC000659439032 440323525 /nfs/dbraw/zinc/32/35/25/440323525.db2.gz APPPDWIENVLISO-LBPRGKRZSA-N 1 3 336.440 0.562 20 0 ECADHO C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[NH+]1CCC(C)CC1 ZINC000659445598 440327412 /nfs/dbraw/zinc/32/74/12/440327412.db2.gz IQAPAIRTAFGQQZ-GFCCVEGCSA-N 1 3 336.440 0.561 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)CC1 ZINC000659445261 440327810 /nfs/dbraw/zinc/32/78/10/440327810.db2.gz PCJHRAGJPQRJRR-HZPDHXFCSA-N 1 3 341.475 0.626 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)n1 ZINC000659629174 440381452 /nfs/dbraw/zinc/38/14/52/440381452.db2.gz PGLXSXLSTNJDNB-JSGCOSHPSA-N 1 3 348.451 0.705 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000665070417 440412577 /nfs/dbraw/zinc/41/25/77/440412577.db2.gz JVUQPIIQLXAVCB-MELADBBJSA-N 1 3 327.473 0.212 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000665070417 440412582 /nfs/dbraw/zinc/41/25/82/440412582.db2.gz JVUQPIIQLXAVCB-MELADBBJSA-N 1 3 327.473 0.212 20 0 ECADHO CCO[C@@H]1COC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665059894 440413818 /nfs/dbraw/zinc/41/38/18/440413818.db2.gz DBNDQMLVUGYQAX-RRFJBIMHSA-N 1 3 330.473 0.362 20 0 ECADHO CCO[C@@H]1COC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665059894 440413834 /nfs/dbraw/zinc/41/38/34/440413834.db2.gz DBNDQMLVUGYQAX-RRFJBIMHSA-N 1 3 330.473 0.362 20 0 ECADHO CN(C)S(=O)(=O)N1CC(NC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000628477034 440470057 /nfs/dbraw/zinc/47/00/57/440470057.db2.gz DOHIBPVSYGOLDO-UHFFFAOYSA-N 1 3 339.465 0.131 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737359 440473073 /nfs/dbraw/zinc/47/30/73/440473073.db2.gz TUTYQLHRZKCBLC-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NCC3=CC[NH2+]CC3)ccc2[nH]c1=O ZINC000638175923 440473623 /nfs/dbraw/zinc/47/36/23/440473623.db2.gz ROOVGKIMCHMKDT-UHFFFAOYSA-N 1 3 343.431 0.953 20 0 ECADHO CO[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000665481717 440475679 /nfs/dbraw/zinc/47/56/79/440475679.db2.gz SRAWQLOLCGKKCJ-LSDHHAIUSA-N 1 3 330.473 0.173 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000659740271 440476694 /nfs/dbraw/zinc/47/66/94/440476694.db2.gz HCZRHGTURFNLBU-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO O=C(CN1CCNCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000638083723 440431103 /nfs/dbraw/zinc/43/11/03/440431103.db2.gz BTISKQRVOBRYJO-SFHVURJKSA-N 1 3 330.476 0.572 20 0 ECADHO O=C(CN1CCNCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000638083723 440431109 /nfs/dbraw/zinc/43/11/09/440431109.db2.gz BTISKQRVOBRYJO-SFHVURJKSA-N 1 3 330.476 0.572 20 0 ECADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H]1CN1CCCCC1 ZINC000633081951 440432613 /nfs/dbraw/zinc/43/26/13/440432613.db2.gz KNRMQNBUZBWNFK-XHSDSOJGSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)[NH+]1CCCCC1 ZINC000659706881 440442127 /nfs/dbraw/zinc/44/21/27/440442127.db2.gz RFEOVOUFNVSAMX-PMPSAXMXSA-N 1 3 338.496 0.953 20 0 ECADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000633104068 440448564 /nfs/dbraw/zinc/44/85/64/440448564.db2.gz YUEFRQMHLKBIBF-OAHLLOKOSA-N 1 3 336.480 0.803 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659716734 440451076 /nfs/dbraw/zinc/45/10/76/440451076.db2.gz XVDJANOKCPFXOC-ILXRZTDVSA-N 1 3 336.480 0.896 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)[C@@]2(COC)CCCC[NH2+]2)CC1 ZINC000638136545 440455779 /nfs/dbraw/zinc/45/57/79/440455779.db2.gz IKKRYOGNNLYDFC-WBVHZDCISA-N 1 3 326.485 0.287 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000633148376 440459164 /nfs/dbraw/zinc/45/91/64/440459164.db2.gz UZULBKGXDADVNC-ZIAGYGMSSA-N 1 3 336.436 0.508 20 0 ECADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638364017 440520821 /nfs/dbraw/zinc/52/08/21/440520821.db2.gz VQHHVPVPWUVJDI-CQSZACIVSA-N 1 3 340.493 0.450 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665763166 440524895 /nfs/dbraw/zinc/52/48/95/440524895.db2.gz ZKPKBDNOCZHACL-JKSUJKDBSA-N 1 3 327.517 0.994 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000649350480 440480746 /nfs/dbraw/zinc/48/07/46/440480746.db2.gz GKRXSZSUCRZYGK-BWTSREIZSA-N 1 3 342.487 0.906 20 0 ECADHO CCN1CCN(CCCCNC(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000649351087 440481414 /nfs/dbraw/zinc/48/14/14/440481414.db2.gz LRHGTLUWZNMJFM-QGZVFWFLSA-N 1 3 326.485 0.146 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000638528084 440561152 /nfs/dbraw/zinc/56/11/52/440561152.db2.gz ULKHTWCIKNAUOU-CVEARBPZSA-N 1 3 325.501 0.781 20 0 ECADHO CO[C@@H](CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCOCC1 ZINC000638571789 440570632 /nfs/dbraw/zinc/57/06/32/440570632.db2.gz ZEAZSHPJLIEAFA-HOTGVXAUSA-N 1 3 327.469 0.605 20 0 ECADHO CO[C@@H](CNCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCOCC1 ZINC000638571789 440570639 /nfs/dbraw/zinc/57/06/39/440570639.db2.gz ZEAZSHPJLIEAFA-HOTGVXAUSA-N 1 3 327.469 0.605 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638413988 440534613 /nfs/dbraw/zinc/53/46/13/440534613.db2.gz KNHIYSFJRUCBJQ-UHFFFAOYSA-N 1 3 346.475 0.353 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000638424961 440534850 /nfs/dbraw/zinc/53/48/50/440534850.db2.gz NEMHWWVBYAKGME-AEFFLSMTSA-N 1 3 347.459 0.935 20 0 ECADHO [NH3+]CC1(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCOCC1 ZINC000638633769 440593016 /nfs/dbraw/zinc/59/30/16/440593016.db2.gz GQOVPDGVVHARHA-INIZCTEOSA-N 1 3 332.448 0.918 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1COCCOC1 ZINC000644472990 440613735 /nfs/dbraw/zinc/61/37/35/440613735.db2.gz LGHXTDWLSIFAQY-MRXNPFEDSA-N 1 3 342.484 0.459 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1COCCOC1 ZINC000644472990 440613739 /nfs/dbraw/zinc/61/37/39/440613739.db2.gz LGHXTDWLSIFAQY-MRXNPFEDSA-N 1 3 342.484 0.459 20 0 ECADHO CCO[C@H]1C[C@](N)(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1(C)C ZINC000638985110 440659955 /nfs/dbraw/zinc/65/99/55/440659955.db2.gz YSWYGOYEXKLTMT-KSSFIOAISA-N 1 3 347.463 0.962 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655959960 440661423 /nfs/dbraw/zinc/66/14/23/440661423.db2.gz SWENAXKPRXNHEI-NSHDSACASA-N 1 3 332.326 0.693 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(CCN(C)C)C(=O)C1)C[NH+]1CCCC1 ZINC000650695816 440672817 /nfs/dbraw/zinc/67/28/17/440672817.db2.gz AHOXXFBFVNOTRN-HNNXBMFYSA-N 1 3 339.484 0.134 20 0 ECADHO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000644548853 440641626 /nfs/dbraw/zinc/64/16/26/440641626.db2.gz MKQRHBUEEBPWMC-MJGOQNOKSA-N 1 3 334.508 0.705 20 0 ECADHO CN1CCN(C)[C@@H](C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634704141 440691703 /nfs/dbraw/zinc/69/17/03/440691703.db2.gz GRTBSJLIKFUHPC-RBUKOAKNSA-N 1 3 332.492 0.459 20 0 ECADHO CN1CCN(C)[C@@H](CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634704141 440691710 /nfs/dbraw/zinc/69/17/10/440691710.db2.gz GRTBSJLIKFUHPC-RBUKOAKNSA-N 1 3 332.492 0.459 20 0 ECADHO CN1CCN(C)[C@@H](CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634704141 440691713 /nfs/dbraw/zinc/69/17/13/440691713.db2.gz GRTBSJLIKFUHPC-RBUKOAKNSA-N 1 3 332.492 0.459 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCC[NH2+]C1 ZINC000656024358 440694798 /nfs/dbraw/zinc/69/47/98/440694798.db2.gz KZHHHFCSYJHUGR-VKJFTORMSA-N 1 3 336.480 0.625 20 0 ECADHO COCC1(NCC(=O)NC2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000660633404 440699278 /nfs/dbraw/zinc/69/92/78/440699278.db2.gz AXAYIIRSELULIT-UHFFFAOYSA-N 1 3 325.453 0.515 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[C@H]1[NH3+] ZINC000656028705 440700167 /nfs/dbraw/zinc/70/01/67/440700167.db2.gz PEZIKTPIWVAKLV-FPCVCCKLSA-N 1 3 336.480 0.705 20 0 ECADHO Cc1sccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000635122612 440757402 /nfs/dbraw/zinc/75/74/02/440757402.db2.gz NGTMYHSKVTYSDE-UHFFFAOYSA-N 1 3 326.466 0.947 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)CC2(O)CCOCC2)C1 ZINC000639506081 440730196 /nfs/dbraw/zinc/73/01/96/440730196.db2.gz FWZJGCJSELXIQR-SJORKVTESA-N 1 3 344.496 0.712 20 0 ECADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651110652 440751411 /nfs/dbraw/zinc/75/14/11/440751411.db2.gz AQLSJLDZPHNBGH-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651110652 440751415 /nfs/dbraw/zinc/75/14/15/440751415.db2.gz AQLSJLDZPHNBGH-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO C[C@@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C[NH+]1CCCC1 ZINC000645263338 440773261 /nfs/dbraw/zinc/77/32/61/440773261.db2.gz XLWPTRHVFXYAJZ-LSDHHAIUSA-N 1 3 339.484 0.480 20 0 ECADHO C[NH+](C)C[C@@]1(O)CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000639760374 440785947 /nfs/dbraw/zinc/78/59/47/440785947.db2.gz AABGYCMHDKHJBC-SFHVURJKSA-N 1 3 338.496 0.118 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CCCN(C(C)C)CC1 ZINC000635488652 440870623 /nfs/dbraw/zinc/87/06/23/440870623.db2.gz YCEPKFMVAFVYEL-UHFFFAOYSA-N 1 3 329.485 0.914 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CCCN(C(C)C)CC1 ZINC000635488652 440870625 /nfs/dbraw/zinc/87/06/25/440870625.db2.gz YCEPKFMVAFVYEL-UHFFFAOYSA-N 1 3 329.485 0.914 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635496624 440870901 /nfs/dbraw/zinc/87/09/01/440870901.db2.gz GTWZPUPEDHQROD-QGZVFWFLSA-N 1 3 348.491 0.770 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635496624 440870907 /nfs/dbraw/zinc/87/09/07/440870907.db2.gz GTWZPUPEDHQROD-QGZVFWFLSA-N 1 3 348.491 0.770 20 0 ECADHO C(N1CC[C@@H]2COC[C@H]2C1)C1(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)COC1 ZINC000662038041 440959109 /nfs/dbraw/zinc/95/91/09/440959109.db2.gz VIXFFMCATWJEGK-TVFCKZIOSA-N 1 3 336.476 0.940 20 0 ECADHO C(N1CC[C@@H]2COC[C@H]2C1)C1(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)COC1 ZINC000662038041 440959115 /nfs/dbraw/zinc/95/91/15/440959115.db2.gz VIXFFMCATWJEGK-TVFCKZIOSA-N 1 3 336.476 0.940 20 0 ECADHO C(N1CC[C@@H]2COC[C@@H]2C1)C1(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)COC1 ZINC000662038041 440959120 /nfs/dbraw/zinc/95/91/20/440959120.db2.gz VIXFFMCATWJEGK-TVFCKZIOSA-N 1 3 336.476 0.940 20 0 ECADHO C(N1CC[C@@H]2COC[C@@H]2C1)C1(C[N@H+]2CC[C@@H]3COC[C@H]3C2)COC1 ZINC000662038041 440959124 /nfs/dbraw/zinc/95/91/24/440959124.db2.gz VIXFFMCATWJEGK-TVFCKZIOSA-N 1 3 336.476 0.940 20 0 ECADHO CN(C(=O)NCC(F)(F)CN)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000640707622 440970917 /nfs/dbraw/zinc/97/09/17/440970917.db2.gz NVNLXQGUSHRIPA-ZDUSSCGKSA-N 1 3 333.427 0.390 20 0 ECADHO COCCCNC(=O)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662253791 440995498 /nfs/dbraw/zinc/99/54/98/440995498.db2.gz WOWYHFDQDDMSIA-HNNXBMFYSA-N 1 3 325.453 0.372 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662260802 440996587 /nfs/dbraw/zinc/99/65/87/440996587.db2.gz QMHWBWIALXBPBA-KZNAEPCWSA-N 1 3 336.524 0.998 20 0 ECADHO CN(C)[C@H](CNC(=O)Cn1cc(CCCC[NH3+])nn1)c1ccccc1 ZINC000640837971 441002191 /nfs/dbraw/zinc/00/21/91/441002191.db2.gz ZZEVJFPSKSVZJW-QGZVFWFLSA-N 1 3 344.463 0.979 20 0 ECADHO CN(C)[C@H](CNC(=O)Cn1cc(CC[NH+](C)C)nn1)c1ccccc1 ZINC000640837207 441002970 /nfs/dbraw/zinc/00/29/70/441002970.db2.gz OLHHUAKXONHPOI-QGZVFWFLSA-N 1 3 344.463 0.801 20 0 ECADHO c1cnn(CCN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000662338231 441016183 /nfs/dbraw/zinc/01/61/83/441016183.db2.gz PBNBYCXGMJMCRJ-HNNXBMFYSA-N 1 3 329.452 0.895 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652144433 441019391 /nfs/dbraw/zinc/01/93/91/441019391.db2.gz GOQPPUDZVOEEDF-AWEZNQCLSA-N 1 3 339.484 0.357 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662406243 441033801 /nfs/dbraw/zinc/03/38/01/441033801.db2.gz WOHZABNTHHHFJB-GDBMZVCRSA-N 1 3 330.432 0.535 20 0 ECADHO CCNCc1ccn(Cc2cn(C[C@H](O)C[N@H+](C)C3CC3)nn2)n1 ZINC000641224420 441079046 /nfs/dbraw/zinc/07/90/46/441079046.db2.gz ZEOUTBRFEMVVGI-MRXNPFEDSA-N 1 3 333.440 0.088 20 0 ECADHO CCNCc1ccn(Cc2cn(C[C@H](O)C[N@@H+](C)C3CC3)nn2)n1 ZINC000641224420 441079050 /nfs/dbraw/zinc/07/90/50/441079050.db2.gz ZEOUTBRFEMVVGI-MRXNPFEDSA-N 1 3 333.440 0.088 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCCN(C)C1=O ZINC000636161167 441090189 /nfs/dbraw/zinc/09/01/89/441090189.db2.gz JHPBXCIKGWDZJX-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCCN(C)C1=O ZINC000636161167 441090190 /nfs/dbraw/zinc/09/01/90/441090190.db2.gz JHPBXCIKGWDZJX-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000290116974 320678746 /nfs/dbraw/zinc/67/87/46/320678746.db2.gz YRLSUXSFCOQEAD-HNNXBMFYSA-N 1 3 337.420 0.524 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@@H]1C[NH3+] ZINC000332672344 320909911 /nfs/dbraw/zinc/90/99/11/320909911.db2.gz PTRCMIZGHSPPBK-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333356956 320916303 /nfs/dbraw/zinc/91/63/03/320916303.db2.gz CEMBEVWWFFSZQU-VNQPRFMTSA-N 1 3 334.468 0.731 20 0 ECADHO Cc1ccccc1CN1CCCN(C(=O)CN(CC[NH3+])CCO)CC1 ZINC000342384457 321088732 /nfs/dbraw/zinc/08/87/32/321088732.db2.gz JYYFCNGQHVTYPT-UHFFFAOYSA-N 1 3 348.491 0.282 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000343044755 321118853 /nfs/dbraw/zinc/11/88/53/321118853.db2.gz YQOIBPCBALVVPS-MRXNPFEDSA-N 1 3 327.469 0.666 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1CC1 ZINC000343313331 321132602 /nfs/dbraw/zinc/13/26/02/321132602.db2.gz RPDDKIUUWYEGIL-CQSZACIVSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC[N@@H+]1C ZINC000347965324 321260374 /nfs/dbraw/zinc/26/03/74/321260374.db2.gz FXIBAZADVWFIRA-CAOSSQGBSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC[N@H+]1C ZINC000347965324 321260376 /nfs/dbraw/zinc/26/03/76/321260376.db2.gz FXIBAZADVWFIRA-CAOSSQGBSA-N 1 3 338.496 0.964 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000351843026 321337711 /nfs/dbraw/zinc/33/77/11/321337711.db2.gz XZOZDSSUSYVDFL-QKPAOTATSA-N 1 3 336.480 0.515 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[N@H+](C)C1CC1 ZINC000352749001 321370600 /nfs/dbraw/zinc/37/06/00/321370600.db2.gz OSZVRJBFSRRYTB-OAHLLOKOSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000352749001 321370603 /nfs/dbraw/zinc/37/06/03/321370603.db2.gz OSZVRJBFSRRYTB-OAHLLOKOSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000492862726 321929139 /nfs/dbraw/zinc/92/91/39/321929139.db2.gz DVERNMJQDKCMIX-CYBMUJFWSA-N 1 3 330.473 0.851 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000547439634 322126762 /nfs/dbraw/zinc/12/67/62/322126762.db2.gz LLSOTAGHRBJUOL-BFYDXBDKSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000547439634 322126765 /nfs/dbraw/zinc/12/67/65/322126765.db2.gz LLSOTAGHRBJUOL-BFYDXBDKSA-N 1 3 337.512 0.794 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000557137593 322204798 /nfs/dbraw/zinc/20/47/98/322204798.db2.gz CKNVWGDAMOGXMG-QGZVFWFLSA-N 1 3 333.480 0.923 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000557137593 322204800 /nfs/dbraw/zinc/20/48/00/322204800.db2.gz CKNVWGDAMOGXMG-QGZVFWFLSA-N 1 3 333.480 0.923 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000559387518 322219380 /nfs/dbraw/zinc/21/93/80/322219380.db2.gz JPRJZBORISPGDC-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000560326563 322233919 /nfs/dbraw/zinc/23/39/19/322233919.db2.gz IDRLXJAEDJNKEM-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO CCC[NH+]1CCC(NC(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000561052557 322252908 /nfs/dbraw/zinc/25/29/08/322252908.db2.gz SUQNEOOYXIGWGD-UHFFFAOYSA-N 1 3 347.467 0.882 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000562769908 322283843 /nfs/dbraw/zinc/28/38/43/322283843.db2.gz QANGAROIXFVUQD-OAHLLOKOSA-N 1 3 347.467 0.834 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000563131510 322299539 /nfs/dbraw/zinc/29/95/39/322299539.db2.gz NJWODSVGRBNLFQ-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000563621785 322334247 /nfs/dbraw/zinc/33/42/47/322334247.db2.gz ALMJGPKONYLCKH-KBPBESRZSA-N 1 3 346.475 0.444 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000563692628 322339327 /nfs/dbraw/zinc/33/93/27/322339327.db2.gz QJWDWCXQUXKMDA-CVEARBPZSA-N 1 3 325.501 0.925 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000563692628 322339329 /nfs/dbraw/zinc/33/93/29/322339329.db2.gz QJWDWCXQUXKMDA-CVEARBPZSA-N 1 3 325.501 0.925 20 0 ECADHO CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000563748895 322342874 /nfs/dbraw/zinc/34/28/74/322342874.db2.gz INYRIJRQFABFKI-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563748895 322342875 /nfs/dbraw/zinc/34/28/75/322342875.db2.gz INYRIJRQFABFKI-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc1F ZINC000568283492 322623158 /nfs/dbraw/zinc/62/31/58/322623158.db2.gz PFYZGGNOXRCFOX-UHFFFAOYSA-N 1 3 340.399 0.512 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000569260043 322649161 /nfs/dbraw/zinc/64/91/61/322649161.db2.gz JHWVGRQJGPVBJZ-HUUCEWRRSA-N 1 3 337.468 0.062 20 0 ECADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000570278069 322682014 /nfs/dbraw/zinc/68/20/14/322682014.db2.gz KGNPXQHTLXSJHI-QGZVFWFLSA-N 1 3 341.419 0.084 20 0 ECADHO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[C@@H](N2CCCCC2)C1 ZINC000578440091 322864249 /nfs/dbraw/zinc/86/42/49/322864249.db2.gz HHGKHLYYOUJFKG-LSDHHAIUSA-N 1 3 332.452 0.731 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCCC3)C[C@H]12 ZINC000578858127 322877313 /nfs/dbraw/zinc/87/73/13/322877313.db2.gz UHOYBLBPLCGXNJ-FXUDXRNXSA-N 1 3 334.464 0.269 20 0 ECADHO CC[N@H+](CCO)CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000183977613 528531797 /nfs/dbraw/zinc/53/17/97/528531797.db2.gz PBLZHISDFCNGEM-UHFFFAOYSA-N 1 3 348.491 0.629 20 0 ECADHO CC[N@@H+](CCO)CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000183977613 528531803 /nfs/dbraw/zinc/53/18/03/528531803.db2.gz PBLZHISDFCNGEM-UHFFFAOYSA-N 1 3 348.491 0.629 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262677705 535890272 /nfs/dbraw/zinc/89/02/72/535890272.db2.gz UHLAHKGPYCAOCO-HOTGVXAUSA-N 1 3 332.448 0.722 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cn1 ZINC000126445742 545769767 /nfs/dbraw/zinc/76/97/67/545769767.db2.gz LIEFMIORMFGICJ-HNNXBMFYSA-N 1 3 348.451 0.080 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cn1 ZINC000126445995 545770255 /nfs/dbraw/zinc/77/02/55/545770255.db2.gz LIEFMIORMFGICJ-OAHLLOKOSA-N 1 3 348.451 0.080 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000126753490 545771171 /nfs/dbraw/zinc/77/11/71/545771171.db2.gz LHFYVHFURPUMSE-PMPSAXMXSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000126753490 545771172 /nfs/dbraw/zinc/77/11/72/545771172.db2.gz LHFYVHFURPUMSE-PMPSAXMXSA-N 1 3 337.512 0.794 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353300216 546147276 /nfs/dbraw/zinc/14/72/76/546147276.db2.gz CEUBOCFUYNFXEB-MRXNPFEDSA-N 1 3 327.517 0.996 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028420 546610290 /nfs/dbraw/zinc/61/02/90/546610290.db2.gz QKTAWELJLKFNEE-KSSFIOAISA-N 1 3 348.447 0.510 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028483 546610419 /nfs/dbraw/zinc/61/04/19/546610419.db2.gz RAJSJQFWQMVJOQ-KBXCAEBGSA-N 1 3 334.464 0.413 20 0 ECADHO C[NH+]1CCC(Oc2ccc(CNc3nc(N)nc(N)n3)cc2)CC1 ZINC000624191536 546889060 /nfs/dbraw/zinc/88/90/60/546889060.db2.gz PULCDWCTOHSVJN-UHFFFAOYSA-N 1 3 329.408 0.204 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000625383222 547084424 /nfs/dbraw/zinc/08/44/24/547084424.db2.gz KSNDPXUIDNWKPN-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642981693 547399026 /nfs/dbraw/zinc/39/90/26/547399026.db2.gz DITSMOYHTNWBQO-OAHLLOKOSA-N 1 3 342.484 0.062 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642981692 547399134 /nfs/dbraw/zinc/39/91/34/547399134.db2.gz DITSMOYHTNWBQO-HNNXBMFYSA-N 1 3 342.484 0.062 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000668538185 547680748 /nfs/dbraw/zinc/68/07/48/547680748.db2.gz VYKROCPJEDIGRO-INIZCTEOSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000668542772 547681996 /nfs/dbraw/zinc/68/19/96/547681996.db2.gz CHGVMUCBFFIYOE-SOUVJXGZSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000668542772 547681998 /nfs/dbraw/zinc/68/19/98/547681998.db2.gz CHGVMUCBFFIYOE-SOUVJXGZSA-N 1 3 336.480 0.718 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000668933081 547793083 /nfs/dbraw/zinc/79/30/83/547793083.db2.gz AMEUBUVKARUVED-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000669491525 547898501 /nfs/dbraw/zinc/89/85/01/547898501.db2.gz QZVZINGWPCTHNX-IXDOHACOSA-N 1 3 332.448 0.762 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669567987 547906753 /nfs/dbraw/zinc/90/67/53/547906753.db2.gz NTFDLJJCDOBJBF-HOTGVXAUSA-N 1 3 326.485 0.986 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000670535659 548028547 /nfs/dbraw/zinc/02/85/47/548028547.db2.gz JKTWSTMRGXTMGC-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccsc1 ZINC000671988717 548250528 /nfs/dbraw/zinc/25/05/28/548250528.db2.gz UOAWVCCRTAEQEH-CYBMUJFWSA-N 1 3 340.493 0.877 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CC1(N(C)C)CCC1)C1CC[NH+](C)CC1 ZINC000672013647 548255937 /nfs/dbraw/zinc/25/59/37/548255937.db2.gz MMNYQRHXGGZROE-AWEZNQCLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)N(C)C1CC1 ZINC000672207368 548282560 /nfs/dbraw/zinc/28/25/60/548282560.db2.gz RCMDTFNQSWGVHL-CQSZACIVSA-N 1 3 345.447 0.329 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672310669 548307879 /nfs/dbraw/zinc/30/78/79/548307879.db2.gz CTBFKAHQHHFDPS-KBMXLJTQSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672310669 548307881 /nfs/dbraw/zinc/30/78/81/548307881.db2.gz CTBFKAHQHHFDPS-KBMXLJTQSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[N@@H+]1C ZINC000672311996 548310194 /nfs/dbraw/zinc/31/01/94/548310194.db2.gz PQBBZFOXZUTMKT-BMFZPTHFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[N@H+]1C ZINC000672311996 548310197 /nfs/dbraw/zinc/31/01/97/548310197.db2.gz PQBBZFOXZUTMKT-BMFZPTHFSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000672695704 548373220 /nfs/dbraw/zinc/37/32/20/548373220.db2.gz SQVMBBXMZXBJJB-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000672695704 548373223 /nfs/dbraw/zinc/37/32/23/548373223.db2.gz SQVMBBXMZXBJJB-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000673336985 548481388 /nfs/dbraw/zinc/48/13/88/548481388.db2.gz BHUOKNOVIBTAQB-UHFFFAOYSA-N 1 3 347.463 0.578 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000673336985 548481394 /nfs/dbraw/zinc/48/13/94/548481394.db2.gz BHUOKNOVIBTAQB-UHFFFAOYSA-N 1 3 347.463 0.578 20 0 ECADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](CO)CN(C)C)cc2)CC1 ZINC000673520859 548509110 /nfs/dbraw/zinc/50/91/10/548509110.db2.gz IMVZOOXUOJCINN-KRWDZBQOSA-N 1 3 348.491 0.869 20 0 ECADHO CN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000675964023 548776095 /nfs/dbraw/zinc/77/60/95/548776095.db2.gz WRZUEDBZIBLISB-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000675964023 548776101 /nfs/dbraw/zinc/77/61/01/548776101.db2.gz WRZUEDBZIBLISB-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO C[C@H](C(=O)N[C@@H]1CCCN(C)C1)[C@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000682893509 549445808 /nfs/dbraw/zinc/44/58/08/549445808.db2.gz WJCMDOSEVHTYCY-YHUYYLMFSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](C(=O)N[C@@H]1CCCN(C)C1)[C@H](C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000682893509 549445811 /nfs/dbraw/zinc/44/58/11/549445811.db2.gz WJCMDOSEVHTYCY-YHUYYLMFSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[C@H](C)C(=O)N[C@H]1CCCN(C)C1 ZINC000682893509 549445815 /nfs/dbraw/zinc/44/58/15/549445815.db2.gz WJCMDOSEVHTYCY-YHUYYLMFSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@H](C)C(=O)N[C@H]1CCCN(C)C1 ZINC000682893509 549445817 /nfs/dbraw/zinc/44/58/17/549445817.db2.gz WJCMDOSEVHTYCY-YHUYYLMFSA-N 1 3 338.496 0.679 20 0 ECADHO CNC(=O)C1(NC/C=C\C[NH2+]C2(C(=O)NC)CCCC2)CCCC1 ZINC000733999901 578351390 /nfs/dbraw/zinc/35/13/90/578351390.db2.gz URDXZOYEBNSWGW-FPLPWBNLSA-N 1 3 336.480 0.839 20 0 ECADHO CN1CCN(CCNC(=S)NCC2CC[NH+](C)CC2)CC1(C)C ZINC000799509251 578666779 /nfs/dbraw/zinc/66/67/79/578666779.db2.gz ODFQXJCEIGSHBU-UHFFFAOYSA-N 1 3 341.569 0.818 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000790273506 578871080 /nfs/dbraw/zinc/87/10/80/578871080.db2.gz NBRMSVBYGLITJM-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000790273506 578871082 /nfs/dbraw/zinc/87/10/82/578871082.db2.gz NBRMSVBYGLITJM-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793036505 578920500 /nfs/dbraw/zinc/92/05/00/578920500.db2.gz OSGAOTIPAVBNIC-UHFFFAOYSA-N 1 3 341.843 0.625 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793036505 578920502 /nfs/dbraw/zinc/92/05/02/578920502.db2.gz OSGAOTIPAVBNIC-UHFFFAOYSA-N 1 3 341.843 0.625 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)N1CCCCC1 ZINC000793725330 578937738 /nfs/dbraw/zinc/93/77/38/578937738.db2.gz ZEVJKNYHJNIPNA-PMPSAXMXSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCC(NC(=S)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000767691171 579113940 /nfs/dbraw/zinc/11/39/40/579113940.db2.gz SJTCPOUHDYBVPY-HOTGVXAUSA-N 1 3 340.537 0.923 20 0 ECADHO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000841256168 588984745 /nfs/dbraw/zinc/98/47/45/588984745.db2.gz GCVCIZPVZIXPEY-CQSZACIVSA-N 1 3 347.463 0.621 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841791319 589001164 /nfs/dbraw/zinc/00/11/64/589001164.db2.gz UHBUDFULOVCLFC-DLBZAZTESA-N 1 3 330.432 0.952 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000841920215 589005839 /nfs/dbraw/zinc/00/58/39/589005839.db2.gz ILPCMDJWQYRGMU-UHFFFAOYSA-N 1 3 347.507 0.708 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842028063 589008700 /nfs/dbraw/zinc/00/87/00/589008700.db2.gz YMDHHGAZBBUJQB-AWEZNQCLSA-N 1 3 334.464 0.651 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000842189355 589019323 /nfs/dbraw/zinc/01/93/23/589019323.db2.gz ODYLTEAOWMAYPF-LJQANCHMSA-N 1 3 346.475 0.693 20 0 ECADHO [NH3+][C@H]1C[C@H](CNC(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000891466026 586169242 /nfs/dbraw/zinc/16/92/42/586169242.db2.gz XNLPULPCKZEGED-WKILWMFISA-N 1 3 346.479 0.630 20 0 ECADHO COCCC1(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[NH2+]CC1 ZINC000891514451 586173074 /nfs/dbraw/zinc/17/30/74/586173074.db2.gz RUVBTBOKEIGQSX-GJZGRUSLSA-N 1 3 340.468 0.308 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891538430 586174847 /nfs/dbraw/zinc/17/48/47/586174847.db2.gz YPESTFIAPUOCLY-OAHLLOKOSA-N 1 3 342.484 0.555 20 0 ECADHO C[C@@H](CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)CN1CCN(C)CC1 ZINC000891602723 586180958 /nfs/dbraw/zinc/18/09/58/586180958.db2.gz LPIVUDKXNUWRDM-HOTGVXAUSA-N 1 3 339.528 0.947 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000895665954 586196821 /nfs/dbraw/zinc/19/68/21/586196821.db2.gz HPCAGNKIOBCPPC-BPUTZDHNSA-N 1 3 326.485 0.983 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000895665954 586196823 /nfs/dbraw/zinc/19/68/23/586196823.db2.gz HPCAGNKIOBCPPC-BPUTZDHNSA-N 1 3 326.485 0.983 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CNCCC2(F)F)C[C@@H]1C(F)(F)F ZINC000892155315 586224736 /nfs/dbraw/zinc/22/47/36/586224736.db2.gz CMPWCDUEVZBSBI-HRDYMLBCSA-N 1 3 330.301 0.762 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)NC[C@H]2CCCCN2CCO)[NH2+]C1 ZINC000892383111 586261848 /nfs/dbraw/zinc/26/18/48/586261848.db2.gz FZMGHULAKNJLBU-HUUCEWRRSA-N 1 3 326.485 0.911 20 0 ECADHO C[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)CN1CCN(C)CC1 ZINC000896707980 586268133 /nfs/dbraw/zinc/26/81/33/586268133.db2.gz LOGWHDXYBWLVBN-HNNXBMFYSA-N 1 3 338.496 0.097 20 0 ECADHO CO[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000892522089 586271352 /nfs/dbraw/zinc/27/13/52/586271352.db2.gz PEEREOGHUWMNEP-MRXNPFEDSA-N 1 3 340.468 0.559 20 0 ECADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@H]1OC ZINC000894897791 586418223 /nfs/dbraw/zinc/41/82/23/586418223.db2.gz YFRZOADOBKJIHX-BRWVUGGUSA-N 1 3 341.496 0.565 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCCCC[NH3+] ZINC000843260514 589057710 /nfs/dbraw/zinc/05/77/10/589057710.db2.gz FKGXUVOGADYRJP-CQSZACIVSA-N 1 3 326.485 0.858 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900926251 586676588 /nfs/dbraw/zinc/67/65/88/586676588.db2.gz PZRRIRNTZYSFCS-WMZOPIPTSA-N 1 3 341.496 0.793 20 0 ECADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000901058745 586688560 /nfs/dbraw/zinc/68/85/60/586688560.db2.gz XZXHJJPDCPIDQV-NVXWUHKLSA-N 1 3 325.453 0.203 20 0 ECADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000901058745 586688561 /nfs/dbraw/zinc/68/85/61/586688561.db2.gz XZXHJJPDCPIDQV-NVXWUHKLSA-N 1 3 325.453 0.203 20 0 ECADHO COC(=O)c1cnc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cn1 ZINC000903506762 586778263 /nfs/dbraw/zinc/77/82/63/586778263.db2.gz YWSSNPASDSGOCX-IYBDPMFKSA-N 1 3 345.447 0.664 20 0 ECADHO COC(=O)c1cnc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cn1 ZINC000903506762 586778264 /nfs/dbraw/zinc/77/82/64/586778264.db2.gz YWSSNPASDSGOCX-IYBDPMFKSA-N 1 3 345.447 0.664 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C[C@@H]1[NH3+] ZINC000903728541 586803002 /nfs/dbraw/zinc/80/30/02/586803002.db2.gz QSRWEWHJEKYFMH-CABCVRRESA-N 1 3 336.480 0.659 20 0 ECADHO O=C1CNCCN1[C@@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903744866 586807461 /nfs/dbraw/zinc/80/74/61/586807461.db2.gz YIGBDUPQOSPTEG-CVEARBPZSA-N 1 3 336.480 0.041 20 0 ECADHO COCCOCCOCCN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000903761266 586808435 /nfs/dbraw/zinc/80/84/35/586808435.db2.gz OLZVKFJGHRFQPC-IRXDYDNUSA-N 1 3 330.469 0.884 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@@H]1N ZINC000903758662 586812377 /nfs/dbraw/zinc/81/23/77/586812377.db2.gz ISRAXPXWKOFANV-IMJJTQAJSA-N 1 3 348.491 0.657 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@@H]1N ZINC000903758662 586812380 /nfs/dbraw/zinc/81/23/80/586812380.db2.gz ISRAXPXWKOFANV-IMJJTQAJSA-N 1 3 348.491 0.657 20 0 ECADHO NC(=O)c1cccnc1N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903879770 586822896 /nfs/dbraw/zinc/82/28/96/586822896.db2.gz JMHJOXFXUWAHJK-GOOCMWNKSA-N 1 3 329.448 0.833 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H](CN3CCOCC3)C2)cnn1C ZINC000903918099 586827450 /nfs/dbraw/zinc/82/74/50/586827450.db2.gz RUECBDZDHDTZNX-ZWKOTPCHSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cnn1C ZINC000903918099 586827453 /nfs/dbraw/zinc/82/74/53/586827453.db2.gz RUECBDZDHDTZNX-ZWKOTPCHSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cnn1C ZINC000903918099 586827454 /nfs/dbraw/zinc/82/74/54/586827454.db2.gz RUECBDZDHDTZNX-ZWKOTPCHSA-N 1 3 349.523 0.890 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904512228 586839568 /nfs/dbraw/zinc/83/95/68/586839568.db2.gz WEYAMRCZLJUKBN-IRXDYDNUSA-N 1 3 345.447 0.790 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904512228 586839570 /nfs/dbraw/zinc/83/95/70/586839570.db2.gz WEYAMRCZLJUKBN-IRXDYDNUSA-N 1 3 345.447 0.790 20 0 ECADHO [NH3+]Cc1ccccc1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000904660861 586841953 /nfs/dbraw/zinc/84/19/53/586841953.db2.gz VFEWRWACWTVSIQ-UHFFFAOYSA-N 1 3 345.447 0.917 20 0 ECADHO NC[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000904999286 586857132 /nfs/dbraw/zinc/85/71/32/586857132.db2.gz GIUTUXCJXOEDNH-DNVCBOLYSA-N 1 3 348.491 0.803 20 0 ECADHO CN(CC1CC[NH+](C)CC1)CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000103462114 586857755 /nfs/dbraw/zinc/85/77/55/586857755.db2.gz YQWSABBRIBRISZ-UHFFFAOYSA-N 1 3 337.468 0.234 20 0 ECADHO COCCN(CC1CCN(C)CC1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905361159 586886523 /nfs/dbraw/zinc/88/65/23/586886523.db2.gz ZGIODJOKRMZEQM-UHFFFAOYSA-N 1 3 347.525 0.606 20 0 ECADHO CN1CCN(CCCC[NH2+]C[C@H](O)CC2(CO)CCCC2)CC1 ZINC000905905583 586921445 /nfs/dbraw/zinc/92/14/45/586921445.db2.gz HFMOJQGWMLQPOU-QGZVFWFLSA-N 1 3 327.513 0.907 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2CN(C)CCN(C)C2)C1 ZINC000906881823 586989975 /nfs/dbraw/zinc/98/99/75/586989975.db2.gz YMVWUBMGOXMWPT-KRWDZBQOSA-N 1 3 340.512 0.439 20 0 ECADHO C(CCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2)CCN1C[C@@H]2COC[C@H](C1)O2 ZINC000801588626 587000079 /nfs/dbraw/zinc/00/00/79/587000079.db2.gz AZYAYTSQYFICBS-USTZCAOPSA-N 1 3 340.464 0.746 20 0 ECADHO C(CCC[N@H+]1C[C@@H]2COC[C@H](C1)O2)CCN1C[C@@H]2COC[C@H](C1)O2 ZINC000801588626 587000082 /nfs/dbraw/zinc/00/00/82/587000082.db2.gz AZYAYTSQYFICBS-USTZCAOPSA-N 1 3 340.464 0.746 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(CN(C)C)cc2)C1 ZINC000817953421 587393319 /nfs/dbraw/zinc/39/33/19/587393319.db2.gz OFERORISDZHJEW-MRXNPFEDSA-N 1 3 332.448 0.527 20 0 ECADHO O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000844170227 589098212 /nfs/dbraw/zinc/09/82/12/589098212.db2.gz HMCJKGXTUIIDBM-DZGCQCFKSA-N 1 3 347.463 0.860 20 0 ECADHO O=C(NC1CCN(C[C@H]2CCCO2)CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000844171306 589098375 /nfs/dbraw/zinc/09/83/75/589098375.db2.gz ORGIDBKWYCMBIT-ZIAGYGMSSA-N 1 3 331.407 0.991 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183150 589099832 /nfs/dbraw/zinc/09/98/32/589099832.db2.gz UJRXSAPRWMMEOX-OAHLLOKOSA-N 1 3 337.420 0.870 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844189313 589101452 /nfs/dbraw/zinc/10/14/52/589101452.db2.gz KWGIJGRABGWGKP-MRXNPFEDSA-N 1 3 327.469 0.761 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCCCCCC[NH3+])CC1=O ZINC000844200327 589102726 /nfs/dbraw/zinc/10/27/26/589102726.db2.gz QDDMNXSHBZXSJT-HOTGVXAUSA-N 1 3 338.496 0.955 20 0 ECADHO CCC(C)(C(=O)NCC1(N(C)C)CC1)C(=O)NCC1([NH+](C)C)CC1 ZINC000822936079 587692065 /nfs/dbraw/zinc/69/20/65/587692065.db2.gz AOYSPZQKMPJLRH-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN(C2CC2)C1=O ZINC000824825444 587896292 /nfs/dbraw/zinc/89/62/92/587896292.db2.gz AFMVDVLEFCDRKI-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN(C2CC2)C1=O ZINC000824825444 587896294 /nfs/dbraw/zinc/89/62/94/587896294.db2.gz AFMVDVLEFCDRKI-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH+](C)CCOc1ccc(CCC(=O)NCCN2CC[C@@H](O)C2)cc1 ZINC000827528028 588125550 /nfs/dbraw/zinc/12/55/50/588125550.db2.gz FLQPXQKGFAKPKY-QGZVFWFLSA-N 1 3 349.475 0.742 20 0 ECADHO O[C@H]1COCCN(CCCCCCCC[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000830633749 588379708 /nfs/dbraw/zinc/37/97/08/588379708.db2.gz YWXKGKNCLQTODM-HDICACEKSA-N 1 3 344.496 0.713 20 0 ECADHO O[C@H]1COCCN(CCCCCCCC[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000830633749 588379709 /nfs/dbraw/zinc/37/97/09/588379709.db2.gz YWXKGKNCLQTODM-HDICACEKSA-N 1 3 344.496 0.713 20 0 ECADHO O[C@H]1COCC[N@@H+](CCCCCCCCN2CCOC[C@@H](O)C2)C1 ZINC000830633749 588379710 /nfs/dbraw/zinc/37/97/10/588379710.db2.gz YWXKGKNCLQTODM-HDICACEKSA-N 1 3 344.496 0.713 20 0 ECADHO O[C@H]1COCC[N@H+](CCCCCCCCN2CCOC[C@@H](O)C2)C1 ZINC000830633749 588379711 /nfs/dbraw/zinc/37/97/11/588379711.db2.gz YWXKGKNCLQTODM-HDICACEKSA-N 1 3 344.496 0.713 20 0 ECADHO CCN(CC(=O)NC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000847489604 589251218 /nfs/dbraw/zinc/25/12/18/589251218.db2.gz WRSLPCKRXNFJCY-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000848615893 589303962 /nfs/dbraw/zinc/30/39/62/589303962.db2.gz DGYNMNWOAZWVGP-JKSUJKDBSA-N 1 3 348.491 0.722 20 0 ECADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCNc2cc[nH+]cc2)cn1 ZINC000849611228 589343400 /nfs/dbraw/zinc/34/34/00/589343400.db2.gz VGUQHRSXNZNCQY-IRXDYDNUSA-N 1 3 342.447 0.501 20 0 ECADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000851689094 589415161 /nfs/dbraw/zinc/41/51/61/589415161.db2.gz JBVCXXCEXAKSFM-LSDHHAIUSA-N 1 3 336.480 0.707 20 0 ECADHO NC[C@H]1CC(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)=NO1 ZINC000852794796 589512456 /nfs/dbraw/zinc/51/24/56/589512456.db2.gz SGOGYNFYMPLYKE-CQSZACIVSA-N 1 3 346.387 0.638 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)c1cnnn1C1CC[NH2+]CC1 ZINC000852829891 589516244 /nfs/dbraw/zinc/51/62/44/589516244.db2.gz PRWWQVQLRILFHP-INIZCTEOSA-N 1 3 340.431 0.819 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000852921785 589526335 /nfs/dbraw/zinc/52/63/35/589526335.db2.gz QLBOJRHFQSIBCK-KRWDZBQOSA-N 1 3 346.475 0.440 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000857112041 589687452 /nfs/dbraw/zinc/68/74/52/589687452.db2.gz CYIOFBXPRVIMKI-XIRDDKMYSA-N 1 3 334.464 0.906 20 0 ECADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000866270929 589731269 /nfs/dbraw/zinc/73/12/69/589731269.db2.gz YHLINYDTQNRGSP-KGLIPLIRSA-N 1 3 342.484 0.899 20 0 ECADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000866270929 589731270 /nfs/dbraw/zinc/73/12/70/589731270.db2.gz YHLINYDTQNRGSP-KGLIPLIRSA-N 1 3 342.484 0.899 20 0 ECADHO CC(C)(C)N1CCC([NH2+]C[C@]23COCCN2C(=O)COC3)CC1 ZINC000866556523 589750666 /nfs/dbraw/zinc/75/06/66/589750666.db2.gz UTCYIRJBTNIMQS-QGZVFWFLSA-N 1 3 325.453 0.467 20 0 ECADHO COc1ccc([C@@H](CN)C[NH+]2CCC(C(=O)NCCO)CC2)cc1 ZINC000866686630 589758448 /nfs/dbraw/zinc/75/84/48/589758448.db2.gz KKNGBGFISCZEMR-INIZCTEOSA-N 1 3 335.448 0.558 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCC1 ZINC000867592001 589811274 /nfs/dbraw/zinc/81/12/74/589811274.db2.gz MNBIYNGNYDAACD-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCC1 ZINC000867592001 589811276 /nfs/dbraw/zinc/81/12/76/589811276.db2.gz MNBIYNGNYDAACD-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000861756480 589888216 /nfs/dbraw/zinc/88/82/16/589888216.db2.gz AFNNPXIEWGAPTL-GOEBONIOSA-N 1 3 332.448 0.745 20 0 ECADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000868308689 589891316 /nfs/dbraw/zinc/89/13/16/589891316.db2.gz CNNMKUBTMZPTLF-GOEBONIOSA-N 1 3 330.432 0.945 20 0 ECADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000868308689 589891317 /nfs/dbraw/zinc/89/13/17/589891317.db2.gz CNNMKUBTMZPTLF-GOEBONIOSA-N 1 3 330.432 0.945 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868366102 589897299 /nfs/dbraw/zinc/89/72/99/589897299.db2.gz NGAFSZIFPFOPEM-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)/C=C/C=C/C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000862725993 589960612 /nfs/dbraw/zinc/96/06/12/589960612.db2.gz WBPSKRJBTOUNLQ-UQCAYHBASA-N 1 3 334.464 0.520 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)/C=C/C=C/C(=O)NC[C@H]1CCC[N@H+]1C ZINC000862725993 589960614 /nfs/dbraw/zinc/96/06/14/589960614.db2.gz WBPSKRJBTOUNLQ-UQCAYHBASA-N 1 3 334.464 0.520 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000869764192 589977377 /nfs/dbraw/zinc/97/73/77/589977377.db2.gz OFBGHYVHSMLHHS-KRWDZBQOSA-N 1 3 338.496 0.193 20 0 ECADHO CN1CCN(C2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)CC1 ZINC000870981634 590042466 /nfs/dbraw/zinc/04/24/66/590042466.db2.gz NIIGNYSHXFUIHC-GOSISDBHSA-N 1 3 330.476 0.967 20 0 ECADHO CC[C@H](C(=O)NC[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1)N(C)C ZINC000871462144 590071673 /nfs/dbraw/zinc/07/16/73/590071673.db2.gz OARXJXWVZAOHBK-RRFJBIMHSA-N 1 3 342.484 0.010 20 0 ECADHO CCN1CCC(NC(=O)CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872151801 590098446 /nfs/dbraw/zinc/09/84/46/590098446.db2.gz NHONHMWWDXOQPU-AAEUAGOBSA-N 1 3 336.402 0.656 20 0 ECADHO CN(CCCCCC[NH3+])C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000872186189 590100364 /nfs/dbraw/zinc/10/03/64/590100364.db2.gz UHOHMRUAHSRKNT-UHFFFAOYSA-N 1 3 347.463 0.708 20 0 ECADHO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000872198517 590103809 /nfs/dbraw/zinc/10/38/09/590103809.db2.gz ZHGWNMSSVFYOAC-UHFFFAOYSA-N 1 3 336.480 0.675 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CN1C1CC1 ZINC000875329773 590293605 /nfs/dbraw/zinc/29/36/05/590293605.db2.gz SJIIHGWFUUMRQF-ZIAGYGMSSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CN1C1CC1 ZINC000875329773 590293607 /nfs/dbraw/zinc/29/36/07/590293607.db2.gz SJIIHGWFUUMRQF-ZIAGYGMSSA-N 1 3 336.480 0.671 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC[C@@H]21 ZINC000875444960 590302663 /nfs/dbraw/zinc/30/26/63/590302663.db2.gz PFQKNUFNSXVAAI-NCOADZHNSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC[C@@H]21 ZINC000875444960 590302664 /nfs/dbraw/zinc/30/26/64/590302664.db2.gz PFQKNUFNSXVAAI-NCOADZHNSA-N 1 3 348.491 0.672 20 0 ECADHO COC(=O)C1=CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000875714289 590324160 /nfs/dbraw/zinc/32/41/60/590324160.db2.gz IINKKDMKJSAGJZ-ZFWWWQNUSA-N 1 3 340.468 0.819 20 0 ECADHO COC(=O)C1=CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000875714289 590324163 /nfs/dbraw/zinc/32/41/63/590324163.db2.gz IINKKDMKJSAGJZ-ZFWWWQNUSA-N 1 3 340.468 0.819 20 0 ECADHO COC[C@@]1(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCCCN1 ZINC000876719107 590402426 /nfs/dbraw/zinc/40/24/26/590402426.db2.gz CXUDNYWUCIXDSX-SJLPKXTDSA-N 1 3 339.480 0.905 20 0 ECADHO [NH3+]C[C@@]1(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CCCOC1 ZINC000876719979 590403160 /nfs/dbraw/zinc/40/31/60/590403160.db2.gz XVOVBJAPQAQCBB-RDJZCZTQSA-N 1 3 325.453 0.502 20 0 ECADHO Cn1ncc(CN)c1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000876738873 590407299 /nfs/dbraw/zinc/40/72/99/590407299.db2.gz LJFPDFXTNOGNBL-UHFFFAOYSA-N 1 3 331.420 0.749 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000876743864 590408106 /nfs/dbraw/zinc/40/81/06/590408106.db2.gz JMZQNNXNWWQIEK-UAGQMJEPSA-N 1 3 333.432 0.544 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000876743864 590408108 /nfs/dbraw/zinc/40/81/08/590408108.db2.gz JMZQNNXNWWQIEK-UAGQMJEPSA-N 1 3 333.432 0.544 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876751849 590408836 /nfs/dbraw/zinc/40/88/36/590408836.db2.gz ZFEHMCNHWXXINW-HOTGVXAUSA-N 1 3 349.479 0.957 20 0 ECADHO CC[C@@]1(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CCC[NH2+]1 ZINC000877206390 590444828 /nfs/dbraw/zinc/44/48/28/590444828.db2.gz HRIXEXZABVZDST-KRWDZBQOSA-N 1 3 328.420 0.874 20 0 ECADHO CN(C)CCn1cc(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000877326378 590457366 /nfs/dbraw/zinc/45/73/66/590457366.db2.gz AQSKNOAYXVHJHG-HNNXBMFYSA-N 1 3 335.452 0.333 20 0 ECADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000877450781 590466253 /nfs/dbraw/zinc/46/62/53/590466253.db2.gz DZQCQUZLMQMHCU-VNQPRFMTSA-N 1 3 332.452 0.901 20 0 ECADHO CN1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000878491482 590524339 /nfs/dbraw/zinc/52/43/39/590524339.db2.gz LXKWMEBWBQFOBK-SJORKVTESA-N 1 3 338.496 0.430 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883607588 590630093 /nfs/dbraw/zinc/63/00/93/590630093.db2.gz ADODXGBGAFBQOS-CZUORRHYSA-N 1 3 345.447 0.373 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883607588 590630097 /nfs/dbraw/zinc/63/00/97/590630097.db2.gz ADODXGBGAFBQOS-CZUORRHYSA-N 1 3 345.447 0.373 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884877686 590639657 /nfs/dbraw/zinc/63/96/57/590639657.db2.gz ZDWIOJDLSKEOEW-OAHLLOKOSA-N 1 3 340.512 0.927 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885004692 590666771 /nfs/dbraw/zinc/66/67/71/590666771.db2.gz JWFROPAIDPSSBV-MUJYYYPQSA-N 1 3 336.480 0.578 20 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/nfs/dbraw/zinc/84/25/55/590842555.db2.gz IQCRYHUIUAIWNZ-CABCVRRESA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884617252 590872774 /nfs/dbraw/zinc/87/27/74/590872774.db2.gz KJYUEGFGJMAUKY-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884631370 590878580 /nfs/dbraw/zinc/87/85/80/590878580.db2.gz HYENXRWIZWXLAN-QFBILLFUSA-N 1 3 348.491 0.579 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884665429 590886436 /nfs/dbraw/zinc/88/64/36/590886436.db2.gz TWXRCALTCXFOOL-RHSMWYFYSA-N 1 3 346.475 0.664 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)CC[NH2+]1 ZINC000884718319 590906844 /nfs/dbraw/zinc/90/68/44/590906844.db2.gz ATIQEHLAEUJPGB-ILXRZTDVSA-N 1 3 345.447 0.375 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884786861 590923487 /nfs/dbraw/zinc/92/34/87/590923487.db2.gz XSAGAXHRSUUSNX-JYJNAYRXSA-N 1 3 338.496 0.857 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887081451 590939743 /nfs/dbraw/zinc/93/97/43/590939743.db2.gz UFIVCPVBEHVIBU-YJBOKZPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000887093610 590943208 /nfs/dbraw/zinc/94/32/08/590943208.db2.gz PQWBANKVKFRHEP-KFWWJZLASA-N 1 3 343.431 0.082 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000887639863 590985835 /nfs/dbraw/zinc/98/58/35/590985835.db2.gz FIWQOQKKLGTGHQ-HNNXBMFYSA-N 1 3 339.484 0.624 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2CC1)C1CC1 ZINC000946623178 611370594 /nfs/dbraw/zinc/37/05/94/611370594.db2.gz FXHOAOYNLNRPPZ-TWMKSMIVSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1)C1CC1 ZINC000946623178 611370598 /nfs/dbraw/zinc/37/05/98/611370598.db2.gz FXHOAOYNLNRPPZ-TWMKSMIVSA-N 1 3 348.491 0.386 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000930114627 611391304 /nfs/dbraw/zinc/39/13/04/611391304.db2.gz OMZPBWRYWBZWKH-KRWDZBQOSA-N 1 3 348.495 0.523 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946689723 611415247 /nfs/dbraw/zinc/41/52/47/611415247.db2.gz HPKWXMGRSIXRPW-XFHVWQCUSA-N 1 3 349.475 0.012 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946689723 611415248 /nfs/dbraw/zinc/41/52/48/611415248.db2.gz HPKWXMGRSIXRPW-XFHVWQCUSA-N 1 3 349.475 0.012 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2CC1)N(C)C ZINC000946784715 611476619 /nfs/dbraw/zinc/47/66/19/611476619.db2.gz QDSNLQDRVUZLJW-FZKCQIBNSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1)N(C)C ZINC000946784715 611476620 /nfs/dbraw/zinc/47/66/20/611476620.db2.gz QDSNLQDRVUZLJW-FZKCQIBNSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946801044 611490665 /nfs/dbraw/zinc/49/06/65/611490665.db2.gz XEEZKBFIADMEQC-VNHYZAJKSA-N 1 3 333.436 0.387 20 0 ECADHO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946801044 611490668 /nfs/dbraw/zinc/49/06/68/611490668.db2.gz XEEZKBFIADMEQC-VNHYZAJKSA-N 1 3 333.436 0.387 20 0 ECADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000926753235 611567173 /nfs/dbraw/zinc/56/71/73/611567173.db2.gz LZEKEGHKNSIJSD-IAPGTGOOSA-N 1 3 327.436 0.633 20 0 ECADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000926753235 611567174 /nfs/dbraw/zinc/56/71/74/611567174.db2.gz LZEKEGHKNSIJSD-IAPGTGOOSA-N 1 3 327.436 0.633 20 0 ECADHO CC[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)N(CC)CC ZINC000909326688 608608368 /nfs/dbraw/zinc/60/83/68/608608368.db2.gz RZEHVSCNYIIYPA-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000938193469 609512801 /nfs/dbraw/zinc/51/28/01/609512801.db2.gz 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CC1CCN(CCNC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000911160902 609817325 /nfs/dbraw/zinc/81/73/25/609817325.db2.gz GJVFXUVPZGPPSV-GOSISDBHSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911298683 609841491 /nfs/dbraw/zinc/84/14/91/609841491.db2.gz STWQLFYSYGDDDM-STQMWFEESA-N 1 3 342.484 0.262 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@H]13)C2 ZINC000911325401 609848199 /nfs/dbraw/zinc/84/81/99/609848199.db2.gz SXNCATRKJDMLAU-ZVDSWSACSA-N 1 3 334.464 0.458 20 0 ECADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911507505 609887555 /nfs/dbraw/zinc/88/75/55/609887555.db2.gz YFADFVJRAVPABZ-UHFFFAOYSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911518055 609890269 /nfs/dbraw/zinc/89/02/69/609890269.db2.gz NWUIVQRJQABJSV-KBRIMQKVSA-N 1 3 344.459 0.528 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911518055 609890271 /nfs/dbraw/zinc/89/02/71/609890271.db2.gz NWUIVQRJQABJSV-KBRIMQKVSA-N 1 3 344.459 0.528 20 0 ECADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911518008 609890390 /nfs/dbraw/zinc/89/03/90/609890390.db2.gz ZXZXJLOROXXAOB-HZPDHXFCSA-N 1 3 330.432 0.280 20 0 ECADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911518008 609890392 /nfs/dbraw/zinc/89/03/92/609890392.db2.gz ZXZXJLOROXXAOB-HZPDHXFCSA-N 1 3 330.432 0.280 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911562746 609892678 /nfs/dbraw/zinc/89/26/78/609892678.db2.gz LQNVHASEMHXSRN-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000911557439 609894527 /nfs/dbraw/zinc/89/45/27/609894527.db2.gz OPHUNZKUEYXLNZ-JKSUJKDBSA-N 1 3 336.480 0.722 20 0 ECADHO CN1CCNC[C@@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000911734744 609908424 /nfs/dbraw/zinc/90/84/24/609908424.db2.gz BZJPVMBHYATLID-MRXNPFEDSA-N 1 3 346.431 0.438 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000938305028 610040476 /nfs/dbraw/zinc/04/04/76/610040476.db2.gz ONUGQBZPBQZBRX-FUHWJXTLSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000938913862 610041375 /nfs/dbraw/zinc/04/13/75/610041375.db2.gz LYADRUDJMLNLMX-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000940772509 610365245 /nfs/dbraw/zinc/36/52/45/610365245.db2.gz XQJRLLWBZWAQQD-QKPAOTATSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000940772509 610365247 /nfs/dbraw/zinc/36/52/47/610365247.db2.gz XQJRLLWBZWAQQD-QKPAOTATSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC000944152187 610767742 /nfs/dbraw/zinc/76/77/42/610767742.db2.gz UGVIUYNQWYNKGO-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943264838 610768495 /nfs/dbraw/zinc/76/84/95/610768495.db2.gz MLFJJIOQFGXWPY-KBPBESRZSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943264838 610768497 /nfs/dbraw/zinc/76/84/97/610768497.db2.gz MLFJJIOQFGXWPY-KBPBESRZSA-N 1 3 333.436 0.401 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC000944086018 611119632 /nfs/dbraw/zinc/11/96/32/611119632.db2.gz COTQMDRKGNXWPF-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000944086018 611119633 /nfs/dbraw/zinc/11/96/33/611119633.db2.gz COTQMDRKGNXWPF-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC000923200933 611213999 /nfs/dbraw/zinc/21/39/99/611213999.db2.gz GUHTUQJKYIHJMQ-RYUDHWBXSA-N 1 3 341.460 0.153 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC000923200933 611214000 /nfs/dbraw/zinc/21/40/00/611214000.db2.gz GUHTUQJKYIHJMQ-RYUDHWBXSA-N 1 3 341.460 0.153 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000923347072 611232522 /nfs/dbraw/zinc/23/25/22/611232522.db2.gz UVICBOSKBSYXHL-MSOLQXFVSA-N 1 3 345.491 0.806 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000923347072 611232525 /nfs/dbraw/zinc/23/25/25/611232525.db2.gz UVICBOSKBSYXHL-MSOLQXFVSA-N 1 3 345.491 0.806 20 0 ECADHO COC(=O)c1cc(Br)c(CNC(CN)C[NH3+])cc1OC ZINC000923356107 611233684 /nfs/dbraw/zinc/23/36/84/611233684.db2.gz JACOZIMDIXEGJA-UHFFFAOYSA-N 1 3 346.225 0.620 20 0 ECADHO CCCCOC[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416748 611239090 /nfs/dbraw/zinc/23/90/90/611239090.db2.gz YZDDAUKUDSMEHU-BARDWOONSA-N 1 3 327.425 0.031 20 0 ECADHO CCCCOC[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416751 611239187 /nfs/dbraw/zinc/23/91/87/611239187.db2.gz YZDDAUKUDSMEHU-YJNKXOJESA-N 1 3 327.425 0.031 20 0 ECADHO [NH3+]CC[C@H]1CCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000923491840 611251397 /nfs/dbraw/zinc/25/13/97/611251397.db2.gz NAYDJWTUTQXGMN-AWEZNQCLSA-N 1 3 344.459 0.866 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000929399899 611266929 /nfs/dbraw/zinc/26/69/29/611266929.db2.gz WXQADABCUAZCJL-OAHLLOKOSA-N 1 3 340.512 0.881 20 0 ECADHO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517874 611296886 /nfs/dbraw/zinc/29/68/86/611296886.db2.gz KGZUPSUSNNLMLA-WCVJEAGWSA-N 1 3 336.480 0.386 20 0 ECADHO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517874 611296887 /nfs/dbraw/zinc/29/68/87/611296887.db2.gz KGZUPSUSNNLMLA-WCVJEAGWSA-N 1 3 336.480 0.386 20 0 ECADHO CO[C@@H]1CC[C@H]1N(C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000934126730 611770819 /nfs/dbraw/zinc/77/08/19/611770819.db2.gz KYUCXJDIMGZULG-ARFHVFGLSA-N 1 3 327.469 0.569 20 0 ECADHO CO[C@@H]1CC[C@H]1N(C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000934126730 611770820 /nfs/dbraw/zinc/77/08/20/611770820.db2.gz KYUCXJDIMGZULG-ARFHVFGLSA-N 1 3 327.469 0.569 20 0 ECADHO C[C@@H](O)C[NH+]1CCC2(CC1)CN(C(=O)C1(N(C)C)CCC1)CCO2 ZINC000949111856 611858656 /nfs/dbraw/zinc/85/86/56/611858656.db2.gz GSGLKJPZUUHYMR-OAHLLOKOSA-N 1 3 339.480 0.545 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000950786294 611908953 /nfs/dbraw/zinc/90/89/53/611908953.db2.gz SFXXCTMGKGJGQN-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000955340913 612463430 /nfs/dbraw/zinc/46/34/30/612463430.db2.gz PTIXWSREPVLQGZ-HNNXBMFYSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000955340913 612463433 /nfs/dbraw/zinc/46/34/33/612463433.db2.gz PTIXWSREPVLQGZ-HNNXBMFYSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000955340915 612463721 /nfs/dbraw/zinc/46/37/21/612463721.db2.gz PTIXWSREPVLQGZ-OAHLLOKOSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000955340915 612463727 /nfs/dbraw/zinc/46/37/27/612463727.db2.gz PTIXWSREPVLQGZ-OAHLLOKOSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1)N(C)C ZINC000955345272 612473674 /nfs/dbraw/zinc/47/36/74/612473674.db2.gz QVVYEURBWNPXMR-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1)N(C)C ZINC000955345272 612473676 /nfs/dbraw/zinc/47/36/76/612473676.db2.gz QVVYEURBWNPXMR-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000953949600 612481079 /nfs/dbraw/zinc/48/10/79/612481079.db2.gz JEPFZNDVGAKYJS-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000953949600 612481080 /nfs/dbraw/zinc/48/10/80/612481080.db2.gz JEPFZNDVGAKYJS-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000952610308 612549996 /nfs/dbraw/zinc/54/99/96/612549996.db2.gz CBNZAKGCYMJRJP-BMFZPTHFSA-N 1 3 345.447 0.496 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000952610308 612550000 /nfs/dbraw/zinc/55/00/00/612550000.db2.gz CBNZAKGCYMJRJP-BMFZPTHFSA-N 1 3 345.447 0.496 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000956057824 612657604 /nfs/dbraw/zinc/65/76/04/612657604.db2.gz QRPWIOGIUZJLJK-JKSUJKDBSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954286791 612823774 /nfs/dbraw/zinc/82/37/74/612823774.db2.gz VNXPSQRLPJFQSO-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954286791 612823776 /nfs/dbraw/zinc/82/37/76/612823776.db2.gz VNXPSQRLPJFQSO-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954324718 612855446 /nfs/dbraw/zinc/85/54/46/612855446.db2.gz ROVSUKUJGWQAKR-INIZCTEOSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954324718 612855449 /nfs/dbraw/zinc/85/54/49/612855449.db2.gz ROVSUKUJGWQAKR-INIZCTEOSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000954357370 612874257 /nfs/dbraw/zinc/87/42/57/612874257.db2.gz SDKZZQAQHQVWEC-YOEHRIQHSA-N 1 3 348.491 0.482 20 0 ECADHO CN([C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)[C@@H]1CCN(C)C1=O ZINC000971873023 735291495 /nfs/dbraw/zinc/29/14/95/735291495.db2.gz SVMRCUHCBMRBEK-GDBMZVCRSA-N 1 3 341.415 0.711 20 0 ECADHO Cc1nc(CNC[C@H]2CCCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001024964658 738433985 /nfs/dbraw/zinc/43/39/85/738433985.db2.gz MREFSVWTQAETKP-HZPDHXFCSA-N 1 3 346.479 0.926 20 0 ECADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001024984170 738460524 /nfs/dbraw/zinc/46/05/24/738460524.db2.gz DQQFVESXSTZKPN-ZBFHGGJFSA-N 1 3 334.468 0.626 20 0 ECADHO O=C(N1CCCC[C@@H]1CN[C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001024999152 738479371 /nfs/dbraw/zinc/47/93/71/738479371.db2.gz SMSXSGRXFHFHLL-HZPDHXFCSA-N 1 3 348.491 0.722 20 0 ECADHO O=C([C@@H]1CCn2ccnc2C1)N1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000969135674 731517811 /nfs/dbraw/zinc/51/78/11/731517811.db2.gz MNYWAOSTTOCZKW-VXGBXAGGSA-N 1 3 332.433 0.688 20 0 ECADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001167051705 731563321 /nfs/dbraw/zinc/56/33/21/731563321.db2.gz YQPCBXVIPFRFND-MRXNPFEDSA-N 1 3 338.496 0.727 20 0 ECADHO CC(C)N(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100407675 731952652 /nfs/dbraw/zinc/95/26/52/731952652.db2.gz FIVOYDXGNQJADA-PGEKIEPBSA-N 1 3 338.496 0.678 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC000969594990 731992784 /nfs/dbraw/zinc/99/27/84/731992784.db2.gz FJNLWRIKSQHHOF-VNQPRFMTSA-N 1 3 334.464 0.425 20 0 ECADHO C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(CCc2ccnn2C)C1 ZINC000969676880 732042052 /nfs/dbraw/zinc/04/20/52/732042052.db2.gz JHPPWVMBKITTTG-KSSFIOAISA-N 1 3 345.491 0.741 20 0 ECADHO C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001078073588 782252049 /nfs/dbraw/zinc/25/20/49/782252049.db2.gz MMWZCUPTPBPYHK-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO COC[C@H](O)C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232883 733077117 /nfs/dbraw/zinc/07/71/17/733077117.db2.gz SUSURFCZTMTBKU-HUUCEWRRSA-N 1 3 327.469 0.212 20 0 ECADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C[C@@H](O)Cn2cccn2)C1 ZINC000970371924 733434845 /nfs/dbraw/zinc/43/48/45/733434845.db2.gz ICSKMPKMFDTTST-WMLDXEAASA-N 1 3 349.479 0.022 20 0 ECADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC000970451695 733550067 /nfs/dbraw/zinc/55/00/67/733550067.db2.gz SQEOUCJTECVBEV-IAGOWNOFSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C1CN(CCCF)C1 ZINC000970557529 733673698 /nfs/dbraw/zinc/67/36/98/733673698.db2.gz MNHWSNSGISOSRR-ZDUSSCGKSA-N 1 3 325.432 0.854 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC000970801280 733951202 /nfs/dbraw/zinc/95/12/02/733951202.db2.gz WDMIJBJPZYPENQ-IAGOWNOFSA-N 1 3 348.495 0.960 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCOCCO ZINC001104291114 734003444 /nfs/dbraw/zinc/00/34/44/734003444.db2.gz JBMCARQCUMUHDW-OIISXLGYSA-N 1 3 341.496 0.410 20 0 ECADHO CCn1cc(CCN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970874657 734034235 /nfs/dbraw/zinc/03/42/35/734034235.db2.gz LQXKPPQTKZXGTP-GDBMZVCRSA-N 1 3 333.480 0.834 20 0 ECADHO CCn1cc(CCN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970874657 734034237 /nfs/dbraw/zinc/03/42/37/734034237.db2.gz LQXKPPQTKZXGTP-GDBMZVCRSA-N 1 3 333.480 0.834 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001167385665 734113358 /nfs/dbraw/zinc/11/33/58/734113358.db2.gz NHLDZFYQHMYBOZ-LSDHHAIUSA-N 1 3 338.496 0.999 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322599 734301318 /nfs/dbraw/zinc/30/13/18/734301318.db2.gz TVHJROFTTINEFA-INMHGKMJSA-N 1 3 340.512 0.783 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000971843065 735224262 /nfs/dbraw/zinc/22/42/62/735224262.db2.gz FPXYFHCXXMGRMF-SJORKVTESA-N 1 3 348.495 0.931 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000971843065 735224264 /nfs/dbraw/zinc/22/42/64/735224264.db2.gz FPXYFHCXXMGRMF-SJORKVTESA-N 1 3 348.495 0.931 20 0 ECADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CN[C@H]2CCNC2=O)C1 ZINC001087208784 735749575 /nfs/dbraw/zinc/74/95/75/735749575.db2.gz WMRDPPSBXRXEHX-KBMXLJTQSA-N 1 3 336.480 0.433 20 0 ECADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167627070 736152335 /nfs/dbraw/zinc/15/23/35/736152335.db2.gz JZJVWCSDELNLHW-HNNXBMFYSA-N 1 3 326.485 0.824 20 0 ECADHO C[N@H+](C[C@@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427561 736173309 /nfs/dbraw/zinc/17/33/09/736173309.db2.gz ZZYHXQIKRHRKHM-ZFWWWQNUSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427561 736173313 /nfs/dbraw/zinc/17/33/13/736173313.db2.gz ZZYHXQIKRHRKHM-ZFWWWQNUSA-N 1 3 333.436 0.401 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](CCO)C[C@H](C)O)CC1 ZINC001098572392 736268132 /nfs/dbraw/zinc/26/81/32/736268132.db2.gz FRJVMMZJPLRFIC-DOTOQJQBSA-N 1 3 341.496 0.527 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)C[C@H](C)O)CC1 ZINC001098572392 736268133 /nfs/dbraw/zinc/26/81/33/736268133.db2.gz FRJVMMZJPLRFIC-DOTOQJQBSA-N 1 3 341.496 0.527 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001023130540 736526035 /nfs/dbraw/zinc/52/60/35/736526035.db2.gz TZKYRCALABARRA-IJEWVQPXSA-N 1 3 330.432 0.487 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(CCn3cncn3)C2)CC[N@@H+]1C ZINC001023376935 736753365 /nfs/dbraw/zinc/75/33/65/736753365.db2.gz BWBQFZDVACQNPC-BZUAXINKSA-N 1 3 334.468 0.447 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(CCn3cncn3)C2)CC[N@H+]1C ZINC001023376935 736753366 /nfs/dbraw/zinc/75/33/66/736753366.db2.gz BWBQFZDVACQNPC-BZUAXINKSA-N 1 3 334.468 0.447 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001067461617 736872346 /nfs/dbraw/zinc/87/23/46/736872346.db2.gz FYYLIAGIYQJFJQ-HNNXBMFYSA-N 1 3 326.485 0.587 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067461617 736872352 /nfs/dbraw/zinc/87/23/52/736872352.db2.gz FYYLIAGIYQJFJQ-HNNXBMFYSA-N 1 3 326.485 0.587 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCn3cncn3)C2)CC1 ZINC000972611574 737095456 /nfs/dbraw/zinc/09/54/56/737095456.db2.gz CLJDAXPMSRISFC-INIZCTEOSA-N 1 3 334.468 0.543 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCn3cncn3)C2)CC1 ZINC000972611574 737095459 /nfs/dbraw/zinc/09/54/59/737095459.db2.gz CLJDAXPMSRISFC-INIZCTEOSA-N 1 3 334.468 0.543 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000972735818 737571454 /nfs/dbraw/zinc/57/14/54/737571454.db2.gz QLWITTLPCQUOON-MRXNPFEDSA-N 1 3 346.479 0.523 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001024135765 737746661 /nfs/dbraw/zinc/74/66/61/737746661.db2.gz POTSNBWQLSSESL-HNNXBMFYSA-N 1 3 348.495 0.968 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001024139124 737750808 /nfs/dbraw/zinc/75/08/08/737750808.db2.gz CYRLVCROWXRVDL-GOEBONIOSA-N 1 3 336.484 0.730 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001024155913 737782508 /nfs/dbraw/zinc/78/25/08/737782508.db2.gz DITICRZVSCLOBV-CABCVRRESA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNCc3nncn3C)C2)C1 ZINC001024157045 737788006 /nfs/dbraw/zinc/78/80/06/737788006.db2.gz WIRUQDWPRCPWMJ-LSDHHAIUSA-N 1 3 334.468 0.485 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNCc3nncn3C)C2)C1 ZINC001024157045 737788009 /nfs/dbraw/zinc/78/80/09/737788009.db2.gz WIRUQDWPRCPWMJ-LSDHHAIUSA-N 1 3 334.468 0.485 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001024178541 737800047 /nfs/dbraw/zinc/80/00/47/737800047.db2.gz ALVXTWJVOFMSBD-HIFRSBDPSA-N 1 3 343.435 0.559 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001024178543 737800065 /nfs/dbraw/zinc/80/00/65/737800065.db2.gz ALVXTWJVOFMSBD-ZFWWWQNUSA-N 1 3 343.435 0.559 20 0 ECADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104639804 739349411 /nfs/dbraw/zinc/34/94/11/739349411.db2.gz WWLOWVNDLDIYSI-IIAWOOMASA-N 1 3 326.485 0.393 20 0 ECADHO C[C@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908656 740216231 /nfs/dbraw/zinc/21/62/31/740216231.db2.gz QALYSFQLXAOABC-KCZDAYQYSA-N 1 3 337.439 0.644 20 0 ECADHO C[C@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908656 740216235 /nfs/dbraw/zinc/21/62/35/740216235.db2.gz QALYSFQLXAOABC-KCZDAYQYSA-N 1 3 337.439 0.644 20 0 ECADHO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908778 740216263 /nfs/dbraw/zinc/21/62/63/740216263.db2.gz YKFLDWCORIIMQQ-SNUGHFBMSA-N 1 3 333.476 0.942 20 0 ECADHO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908778 740216267 /nfs/dbraw/zinc/21/62/67/740216267.db2.gz YKFLDWCORIIMQQ-SNUGHFBMSA-N 1 3 333.476 0.942 20 0 ECADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)NCC2CCC2)C1 ZINC001100769747 740325513 /nfs/dbraw/zinc/32/55/13/740325513.db2.gz ZEOJFWNWMUKIQZ-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001026043250 740334751 /nfs/dbraw/zinc/33/47/51/740334751.db2.gz GSYQPPRURWDTCV-REVBEMBVSA-N 1 3 327.444 0.626 20 0 ECADHO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001026043250 740334757 /nfs/dbraw/zinc/33/47/57/740334757.db2.gz GSYQPPRURWDTCV-REVBEMBVSA-N 1 3 327.444 0.626 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099856 740372910 /nfs/dbraw/zinc/37/29/10/740372910.db2.gz IUEHEEZINUVLNH-IECFSIQFSA-N 1 3 343.475 0.946 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099856 740372914 /nfs/dbraw/zinc/37/29/14/740372914.db2.gz IUEHEEZINUVLNH-IECFSIQFSA-N 1 3 343.475 0.946 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C[C@H](O)c4ccc(F)cc4)C[C@H]32)C1 ZINC001026145999 740420283 /nfs/dbraw/zinc/42/02/83/740420283.db2.gz FETARINPOSEUOB-MWIANEHASA-N 1 3 347.434 0.857 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C[C@H](O)c4ccc(F)cc4)C[C@H]32)C1 ZINC001026145999 740420287 /nfs/dbraw/zinc/42/02/87/740420287.db2.gz FETARINPOSEUOB-MWIANEHASA-N 1 3 347.434 0.857 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001104937879 740978073 /nfs/dbraw/zinc/97/80/73/740978073.db2.gz KXNKBUQIVUSUTO-HUUCEWRRSA-N 1 3 326.485 0.491 20 0 ECADHO Cn1ccnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]12 ZINC001026421577 741338011 /nfs/dbraw/zinc/33/80/11/741338011.db2.gz UPOYWKHTCYXWNW-OWCLPIDISA-N 1 3 331.464 0.843 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)CN1CCCC1 ZINC000988187397 751642576 /nfs/dbraw/zinc/64/25/76/751642576.db2.gz AFIUEUSCZICNSH-PVAVHDDUSA-N 1 3 348.491 0.530 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746785 741507626 /nfs/dbraw/zinc/50/76/26/741507626.db2.gz ZOVHQAXQZUMJDX-UHFFFAOYSA-N 1 3 346.479 0.770 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001026560786 741555697 /nfs/dbraw/zinc/55/56/97/741555697.db2.gz DJTZRWQPHDRBLF-QQFBHYJXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001026560791 741555774 /nfs/dbraw/zinc/55/57/74/741555774.db2.gz DOGMVDJBPUICDX-FHERZECASA-N 1 3 336.480 0.578 20 0 ECADHO COCCCCNCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105321235 741778153 /nfs/dbraw/zinc/77/81/53/741778153.db2.gz ZKGOLXSFTWCWKI-UHFFFAOYSA-N 1 3 338.456 0.129 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC001026888942 742028711 /nfs/dbraw/zinc/02/87/11/742028711.db2.gz PMYMFQINHPHCOI-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)nn1 ZINC001026887929 742044184 /nfs/dbraw/zinc/04/41/84/742044184.db2.gz YGUFNKGKNPLIRA-CXAGYDPISA-N 1 3 347.463 0.764 20 0 ECADHO COCCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974825191 742223926 /nfs/dbraw/zinc/22/39/26/742223926.db2.gz KGPJQKZFFWVGGA-NWPKHEMWSA-N 1 3 337.464 0.323 20 0 ECADHO COCCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974825191 742223930 /nfs/dbraw/zinc/22/39/30/742223930.db2.gz KGPJQKZFFWVGGA-NWPKHEMWSA-N 1 3 337.464 0.323 20 0 ECADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1=O ZINC000996959395 743073932 /nfs/dbraw/zinc/07/39/32/743073932.db2.gz ADLQFBRTWMDNKZ-JKSUJKDBSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000997002618 743114939 /nfs/dbraw/zinc/11/49/39/743114939.db2.gz XLMAMUDUVJRJFT-AWEZNQCLSA-N 1 3 337.468 0.077 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CC(=O)N2CCCCCC2)CC1 ZINC000997039249 743160044 /nfs/dbraw/zinc/16/00/44/743160044.db2.gz BMNBDOIUUROBJV-UHFFFAOYSA-N 1 3 347.463 0.935 20 0 ECADHO Cc1csc(=O)n1CC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997041544 743162173 /nfs/dbraw/zinc/16/21/73/743162173.db2.gz LUACUUAYNTXIQL-UHFFFAOYSA-N 1 3 349.460 0.765 20 0 ECADHO Cn1c(Cl)cnc1CNC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027214921 743185317 /nfs/dbraw/zinc/18/53/17/743185317.db2.gz ACAGGUDDZDDMED-STQMWFEESA-N 1 3 339.871 0.963 20 0 ECADHO Cn1c(Cl)cnc1CNC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027214921 743185330 /nfs/dbraw/zinc/18/53/30/743185330.db2.gz ACAGGUDDZDDMED-STQMWFEESA-N 1 3 339.871 0.963 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CNCc2nncn2C)C1 ZINC001027235852 743252485 /nfs/dbraw/zinc/25/24/85/743252485.db2.gz WYSBSEKQQHVCJT-GJZGRUSLSA-N 1 3 334.468 0.628 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CNCc2nncn2C)C1 ZINC001027235852 743252493 /nfs/dbraw/zinc/25/24/93/743252493.db2.gz WYSBSEKQQHVCJT-GJZGRUSLSA-N 1 3 334.468 0.628 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000997240952 743394343 /nfs/dbraw/zinc/39/43/43/743394343.db2.gz ZVQOQLDVRDVLIN-UHFFFAOYSA-N 1 3 347.463 0.708 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065139 743472165 /nfs/dbraw/zinc/47/21/65/743472165.db2.gz CWGVSGVJUDJKQN-CZUORRHYSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)C1 ZINC001020584928 751838806 /nfs/dbraw/zinc/83/88/06/751838806.db2.gz YCSBVJNJPXWXGJ-PMPSAXMXSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(CNCc2cn(C)nn2)CC1)[NH+](C)C ZINC000997845700 743850149 /nfs/dbraw/zinc/85/01/49/743850149.db2.gz ZHBBTBJRMZMSJB-INIZCTEOSA-N 1 3 336.484 0.730 20 0 ECADHO CN1CCC[C@@H]([NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000998117253 743986567 /nfs/dbraw/zinc/98/65/67/743986567.db2.gz YKFQDTBXCXBODP-OAHLLOKOSA-N 1 3 333.436 0.401 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)CC1 ZINC000976498092 744024720 /nfs/dbraw/zinc/02/47/20/744024720.db2.gz YQPCYZLKAQVQJD-MNZLEMJZSA-N 1 3 348.491 0.387 20 0 ECADHO COc1cncc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000998268742 744088171 /nfs/dbraw/zinc/08/81/71/744088171.db2.gz IOBQLRJFYIPQKD-UHFFFAOYSA-N 1 3 347.463 0.909 20 0 ECADHO COc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c(C)n1 ZINC000998724475 744298784 /nfs/dbraw/zinc/29/87/84/744298784.db2.gz UEIWGNQTRPWPHC-HOTGVXAUSA-N 1 3 347.463 0.968 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC000976855471 744404209 /nfs/dbraw/zinc/40/42/09/744404209.db2.gz WZGZJMAOAZMBIF-QXSJWSMHSA-N 1 3 348.491 0.528 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1)C1CCC1 ZINC001027441719 744450259 /nfs/dbraw/zinc/45/02/59/744450259.db2.gz KDTFBAQNKWKNQF-MRXNPFEDSA-N 1 3 334.468 0.685 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1)C1CCC1 ZINC001027441719 744450260 /nfs/dbraw/zinc/45/02/60/744450260.db2.gz KDTFBAQNKWKNQF-MRXNPFEDSA-N 1 3 334.468 0.685 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC000999310363 744616793 /nfs/dbraw/zinc/61/67/93/744616793.db2.gz XQVDWUMBPHILHI-ZBFHGGJFSA-N 1 3 334.468 0.770 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC000999310363 744616796 /nfs/dbraw/zinc/61/67/96/744616796.db2.gz XQVDWUMBPHILHI-ZBFHGGJFSA-N 1 3 334.468 0.770 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCCC3)C2)CCC1 ZINC000999349814 744643322 /nfs/dbraw/zinc/64/33/22/744643322.db2.gz VDNWFCDGHKRXBD-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CCn1nncc1CN[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999373670 744663821 /nfs/dbraw/zinc/66/38/21/744663821.db2.gz QWVTZYRFKPBTEC-HOCLYGCPSA-N 1 3 334.468 0.719 20 0 ECADHO CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000999596784 744781789 /nfs/dbraw/zinc/78/17/89/744781789.db2.gz MPARZPTXFDPXND-HZPDHXFCSA-N 1 3 348.491 0.816 20 0 ECADHO C[NH+](C)CCc1ccccc1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999791299 744904399 /nfs/dbraw/zinc/90/43/99/744904399.db2.gz KABNRPSNBLGUJA-OAHLLOKOSA-N 1 3 332.448 0.470 20 0 ECADHO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029153472 745175813 /nfs/dbraw/zinc/17/58/13/745175813.db2.gz OHQZQJDACDVCAA-CJNGLKHVSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H]([NH2+][C@H]1CCCNC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029174603 745220575 /nfs/dbraw/zinc/22/05/75/745220575.db2.gz ZIPGXALOURTMEJ-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NC1(C2CC[NH+](CCO)CC2)CC1)[C@H]1CN2CCC[C@H]2CO1 ZINC001000157428 745298181 /nfs/dbraw/zinc/29/81/81/745298181.db2.gz KQHFOFYSKFXTCI-JKSUJKDBSA-N 1 3 337.464 0.203 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001000183347 745319435 /nfs/dbraw/zinc/31/94/35/745319435.db2.gz IULJTLNEKNWMGL-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1CN(CCn2cncn2)CC1(C)C ZINC000977649296 745336357 /nfs/dbraw/zinc/33/63/57/745336357.db2.gz BPRPIVHVZKTUHO-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[N@H+](CCn2cncn2)CC1(C)C ZINC000977649296 745336364 /nfs/dbraw/zinc/33/63/64/745336364.db2.gz BPRPIVHVZKTUHO-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCn2cncn2)CC1(C)C ZINC000977649296 745336369 /nfs/dbraw/zinc/33/63/69/745336369.db2.gz BPRPIVHVZKTUHO-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@H](O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154221 745359297 /nfs/dbraw/zinc/35/92/97/745359297.db2.gz APHWEPBKEDNZGI-QJPTWQEYSA-N 1 3 337.386 0.688 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC001000228404 745363659 /nfs/dbraw/zinc/36/36/59/745363659.db2.gz STFWDXJEZMIBLR-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1CCc1ccnn1C ZINC001088571962 751996880 /nfs/dbraw/zinc/99/68/80/751996880.db2.gz SUCLGFUSAARBBY-JLSDUUJJSA-N 1 3 345.491 0.883 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000333367 745434224 /nfs/dbraw/zinc/43/42/24/745434224.db2.gz OIOXKJLLBGRXMC-ZFWWWQNUSA-N 1 3 336.480 0.563 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000333367 745434229 /nfs/dbraw/zinc/43/42/29/745434229.db2.gz OIOXKJLLBGRXMC-ZFWWWQNUSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC000977944025 745728250 /nfs/dbraw/zinc/72/82/50/745728250.db2.gz ITFQOMTVHQOTFP-INIZCTEOSA-N 1 3 336.480 0.483 20 0 ECADHO COC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978241 745947635 /nfs/dbraw/zinc/94/76/35/745947635.db2.gz TYKZABLLLWMRCM-WAZRQNRBSA-N 1 3 349.475 0.633 20 0 ECADHO COC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978241 745947637 /nfs/dbraw/zinc/94/76/37/745947637.db2.gz TYKZABLLLWMRCM-WAZRQNRBSA-N 1 3 349.475 0.633 20 0 ECADHO CC[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)c2occc2CN(C)C)CC1 ZINC001001091245 746065856 /nfs/dbraw/zinc/06/58/56/746065856.db2.gz CKWPXGRAKSVWCJ-OAHLLOKOSA-N 1 3 348.447 0.967 20 0 ECADHO CC[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)c2occc2CN(C)C)CC1 ZINC001001091245 746065863 /nfs/dbraw/zinc/06/58/63/746065863.db2.gz CKWPXGRAKSVWCJ-OAHLLOKOSA-N 1 3 348.447 0.967 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001059351402 746181835 /nfs/dbraw/zinc/18/18/35/746181835.db2.gz CIBDFBXWZWRCGM-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001059351402 746181837 /nfs/dbraw/zinc/18/18/37/746181837.db2.gz CIBDFBXWZWRCGM-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001645767 746567570 /nfs/dbraw/zinc/56/75/70/746567570.db2.gz LLAMOXGQOUJEEZ-REUGXJQISA-N 1 3 337.464 0.059 20 0 ECADHO CN1CC[C@@H](N2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001001798289 746731894 /nfs/dbraw/zinc/73/18/94/746731894.db2.gz QRVBMNKXXJXFOA-MRXNPFEDSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001001884090 746783811 /nfs/dbraw/zinc/78/38/11/746783811.db2.gz AZNILUFTTWSNGE-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001001884090 746783814 /nfs/dbraw/zinc/78/38/14/746783814.db2.gz AZNILUFTTWSNGE-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001001884093 746784211 /nfs/dbraw/zinc/78/42/11/746784211.db2.gz AZNILUFTTWSNGE-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001001884093 746784214 /nfs/dbraw/zinc/78/42/14/746784214.db2.gz AZNILUFTTWSNGE-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001075906170 752135641 /nfs/dbraw/zinc/13/56/41/752135641.db2.gz HTCRELHNEUEFFS-GVDBMIGSSA-N 1 3 346.479 0.685 20 0 ECADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001075906170 752135648 /nfs/dbraw/zinc/13/56/48/752135648.db2.gz HTCRELHNEUEFFS-GVDBMIGSSA-N 1 3 346.479 0.685 20 0 ECADHO CCN1CC[C@H](N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002122254 747003310 /nfs/dbraw/zinc/00/33/10/747003310.db2.gz BFAHJJLUFFOXNC-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CC[C@H](N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002122254 747003317 /nfs/dbraw/zinc/00/33/17/747003317.db2.gz BFAHJJLUFFOXNC-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCN2CCNC2=O)CC1 ZINC000985331142 747726790 /nfs/dbraw/zinc/72/67/90/747726790.db2.gz CVKNSFFCJWGBRJ-OAHLLOKOSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCN2CCNC2=O)CC1 ZINC000985331142 747726796 /nfs/dbraw/zinc/72/67/96/747726796.db2.gz CVKNSFFCJWGBRJ-OAHLLOKOSA-N 1 3 337.468 0.029 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001002917660 747958160 /nfs/dbraw/zinc/95/81/60/747958160.db2.gz LIPCMHKUVSDYCS-MRXNPFEDSA-N 1 3 338.496 0.489 20 0 ECADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCCNC2=O)C1)C1CCC1 ZINC001029755723 748263672 /nfs/dbraw/zinc/26/36/72/748263672.db2.gz SGPMIRUOGBYGDC-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCCNC2=O)C1)C1CCC1 ZINC001029755723 748263678 /nfs/dbraw/zinc/26/36/78/748263678.db2.gz SGPMIRUOGBYGDC-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101418112 748409191 /nfs/dbraw/zinc/40/91/91/748409191.db2.gz ABYYNLZBFXXZMR-DAYGRLMNSA-N 1 3 338.496 0.585 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101418112 748409196 /nfs/dbraw/zinc/40/91/96/748409196.db2.gz ABYYNLZBFXXZMR-DAYGRLMNSA-N 1 3 338.496 0.585 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001003773342 748880215 /nfs/dbraw/zinc/88/02/15/748880215.db2.gz ZCUNQQGBBLFDKQ-OAHLLOKOSA-N 1 3 347.463 0.649 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001003773342 748880220 /nfs/dbraw/zinc/88/02/20/748880220.db2.gz ZCUNQQGBBLFDKQ-OAHLLOKOSA-N 1 3 347.463 0.649 20 0 ECADHO C[C@H]([NH2+][C@H]1CCCCCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001088380280 748968653 /nfs/dbraw/zinc/96/86/53/748968653.db2.gz DKUAKYGBUHGUSM-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985755333 749017384 /nfs/dbraw/zinc/01/73/84/749017384.db2.gz JBEXZMXUVVHFJZ-UHFFFAOYSA-N 1 3 334.464 0.237 20 0 ECADHO Cn1nncc1CN[C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088414271 749101707 /nfs/dbraw/zinc/10/17/07/749101707.db2.gz BJLVUSXIDRQKGC-HNNXBMFYSA-N 1 3 346.479 0.772 20 0 ECADHO COC[C@H](C)N1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889544 749150875 /nfs/dbraw/zinc/15/08/75/749150875.db2.gz CADYGSBJYFVQCE-GJZGRUSLSA-N 1 3 337.468 0.674 20 0 ECADHO COc1nccc(CNCC2(CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001168137541 749516429 /nfs/dbraw/zinc/51/64/29/749516429.db2.gz OTPSOEFHRDKLGF-AWEZNQCLSA-N 1 3 347.463 0.813 20 0 ECADHO COc1nccc(CNCC2(CCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001168137541 749516435 /nfs/dbraw/zinc/51/64/35/749516435.db2.gz OTPSOEFHRDKLGF-AWEZNQCLSA-N 1 3 347.463 0.813 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000987168089 750561513 /nfs/dbraw/zinc/56/15/13/750561513.db2.gz YSYUMFCPQASQDU-LSDHHAIUSA-N 1 3 347.463 0.791 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000987168089 750561517 /nfs/dbraw/zinc/56/15/17/750561517.db2.gz YSYUMFCPQASQDU-LSDHHAIUSA-N 1 3 347.463 0.791 20 0 ECADHO C[C@@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987358663 750753013 /nfs/dbraw/zinc/75/30/13/750753013.db2.gz IXYUOLHDWHYOHH-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCCN(CCCF)CC1 ZINC000981646715 750930864 /nfs/dbraw/zinc/93/08/64/750930864.db2.gz SCWJFHHTCTWIGF-CKDBGZEDSA-N 1 3 325.428 0.744 20 0 ECADHO O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCCN(CCCF)CC1 ZINC000981646715 750930868 /nfs/dbraw/zinc/93/08/68/750930868.db2.gz SCWJFHHTCTWIGF-CKDBGZEDSA-N 1 3 325.428 0.744 20 0 ECADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)CN1CCCC1 ZINC000987520983 750938869 /nfs/dbraw/zinc/93/88/69/750938869.db2.gz VPCCCMCUWDUVLW-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO COc1coc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cc1=O ZINC000987532394 750945766 /nfs/dbraw/zinc/94/57/66/750945766.db2.gz PSZGWYXSGRZRKR-HIFRSBDPSA-N 1 3 349.431 0.823 20 0 ECADHO Cn1nccc1CCN1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028118373 751008868 /nfs/dbraw/zinc/00/88/68/751008868.db2.gz YTSUKTBDKUUMHC-KRWDZBQOSA-N 1 3 333.480 0.885 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C[C@H]2CCc3ncnn32)CC1 ZINC001028118425 751009350 /nfs/dbraw/zinc/00/93/50/751009350.db2.gz ZDHAUGKMJNHFMA-JKSUJKDBSA-N 1 3 346.479 0.688 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006119728 751038602 /nfs/dbraw/zinc/03/86/02/751038602.db2.gz RPZDLBWTTVNTKI-ZIAGYGMSSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006119728 751038609 /nfs/dbraw/zinc/03/86/09/751038609.db2.gz RPZDLBWTTVNTKI-ZIAGYGMSSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)c1 ZINC001021090743 752531621 /nfs/dbraw/zinc/53/16/21/752531621.db2.gz JRRRYQVSDUEUBV-ULQDDVLXSA-N 1 3 344.459 0.829 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001021091007 752531647 /nfs/dbraw/zinc/53/16/47/752531647.db2.gz QZTPQHWDHIGAAS-AJNGGQMLSA-N 1 3 334.468 0.908 20 0 ECADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001021094381 752534921 /nfs/dbraw/zinc/53/49/21/752534921.db2.gz PNSBYNWDUFBUTO-IIAWOOMASA-N 1 3 332.448 0.863 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+]([C@@H]4CCNC4=O)C[C@]3(C)C2)C1 ZINC000982557991 752898811 /nfs/dbraw/zinc/89/88/11/752898811.db2.gz XBHIAQZFAUZWMW-RGCFKVTRSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+]([C@@H]4CCNC4=O)C[C@]3(C)C2)C1 ZINC000982557991 752898819 /nfs/dbraw/zinc/89/88/19/752898819.db2.gz XBHIAQZFAUZWMW-RGCFKVTRSA-N 1 3 348.491 0.387 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000982777872 753530874 /nfs/dbraw/zinc/53/08/74/753530874.db2.gz HSPPFLOUVBXLPS-RDJZCZTQSA-N 1 3 348.491 0.389 20 0 ECADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)CC2)C1=O ZINC001167933114 753608986 /nfs/dbraw/zinc/60/89/86/753608986.db2.gz AYOWCVQHTMSQEB-FVQHAEBGSA-N 1 3 334.508 0.955 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)Cc1c[nH]cn1 ZINC001014100676 762248004 /nfs/dbraw/zinc/24/80/04/762248004.db2.gz OOMGOLBMOJYSLA-TZMCWYRMSA-N 1 3 331.420 0.154 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000982874708 754052319 /nfs/dbraw/zinc/05/23/19/754052319.db2.gz QCXUGMNDNFMIHL-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000982874708 754052324 /nfs/dbraw/zinc/05/23/24/754052324.db2.gz QCXUGMNDNFMIHL-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)Cc1ccccc1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001168320733 754512987 /nfs/dbraw/zinc/51/29/87/754512987.db2.gz MZIVAVLVRKRMCW-UHFFFAOYSA-N 1 3 332.448 0.723 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC2CC2)CC1 ZINC001168345318 754763367 /nfs/dbraw/zinc/76/33/67/754763367.db2.gz PETWHBCUACVYKM-CQSZACIVSA-N 1 3 338.496 0.870 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)c(=O)c2)CC1 ZINC000990243221 754891256 /nfs/dbraw/zinc/89/12/56/754891256.db2.gz CJUZBIBWMKEWRQ-MRXNPFEDSA-N 1 3 332.448 0.560 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)n1 ZINC000983322710 755208528 /nfs/dbraw/zinc/20/85/28/755208528.db2.gz MJLAKKGMZUAVHU-YDHLFZDLSA-N 1 3 333.436 0.564 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076323650 756373001 /nfs/dbraw/zinc/37/30/01/756373001.db2.gz CCIFXRPHRJQOSH-HRCADAONSA-N 1 3 334.464 0.140 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC001076462433 756551618 /nfs/dbraw/zinc/55/16/18/756551618.db2.gz UUASXDRUGXMEAG-YESZJQIVSA-N 1 3 331.464 0.758 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC001076462433 756551622 /nfs/dbraw/zinc/55/16/22/756551622.db2.gz UUASXDRUGXMEAG-YESZJQIVSA-N 1 3 331.464 0.758 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001076628606 756750108 /nfs/dbraw/zinc/75/01/08/756750108.db2.gz UYEFAZINYGIUIJ-HOCLYGCPSA-N 1 3 338.496 0.681 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN([C@H](CC)C(N)=O)C[C@H]2C1 ZINC001048849088 757176456 /nfs/dbraw/zinc/17/64/56/757176456.db2.gz AEEDGYKWNYNLBJ-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN([C@H](CC)C(N)=O)C[C@H]2C1 ZINC001048849088 757176459 /nfs/dbraw/zinc/17/64/59/757176459.db2.gz AEEDGYKWNYNLBJ-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC[N@@H+]1C ZINC001011208504 757191559 /nfs/dbraw/zinc/19/15/59/757191559.db2.gz DUTNUFBABQOXMX-FVQBIDKESA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC[N@H+]1C ZINC001011208504 757191564 /nfs/dbraw/zinc/19/15/64/757191564.db2.gz DUTNUFBABQOXMX-FVQBIDKESA-N 1 3 336.480 0.338 20 0 ECADHO CN(C)C1(C(=O)N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CCC1 ZINC001011262271 757322669 /nfs/dbraw/zinc/32/26/69/757322669.db2.gz CZIOQFZUJOJBSW-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)C1(C(=O)N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CCC1 ZINC001011262271 757322681 /nfs/dbraw/zinc/32/26/81/757322681.db2.gz CZIOQFZUJOJBSW-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1)[NH+](C)C ZINC001011267739 757345523 /nfs/dbraw/zinc/34/55/23/757345523.db2.gz DJBHMCIJBIFILB-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000996315207 757349510 /nfs/dbraw/zinc/34/95/10/757349510.db2.gz QWCSJPBDLVUMMD-KBXCAEBGSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1)N(C)C ZINC000996315552 757350500 /nfs/dbraw/zinc/35/05/00/757350500.db2.gz SVUSJLZGQKORNT-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1)N(C)C ZINC000996315551 757350926 /nfs/dbraw/zinc/35/09/26/757350926.db2.gz SVUSJLZGQKORNT-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282571 757403697 /nfs/dbraw/zinc/40/36/97/757403697.db2.gz XRHWEBGBCRDNOZ-ZBFHGGJFSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282571 757403700 /nfs/dbraw/zinc/40/37/00/757403700.db2.gz XRHWEBGBCRDNOZ-ZBFHGGJFSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944364 757479648 /nfs/dbraw/zinc/47/96/48/757479648.db2.gz VJTSGPWCBFROEQ-FNYPPERVSA-N 1 3 333.476 0.896 20 0 ECADHO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944364 757479654 /nfs/dbraw/zinc/47/96/54/757479654.db2.gz VJTSGPWCBFROEQ-FNYPPERVSA-N 1 3 333.476 0.896 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001076951032 757712786 /nfs/dbraw/zinc/71/27/86/757712786.db2.gz ROHJIJOEMNBBFM-AWEZNQCLSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001076972304 757806419 /nfs/dbraw/zinc/80/64/19/757806419.db2.gz LORFXQJRVVSRDG-HOCLYGCPSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001049059046 757818995 /nfs/dbraw/zinc/81/89/95/757818995.db2.gz LTJVLUINEVLSBQ-QXSJWSMHSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001049059046 757819004 /nfs/dbraw/zinc/81/90/04/757819004.db2.gz LTJVLUINEVLSBQ-QXSJWSMHSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059046 757819020 /nfs/dbraw/zinc/81/90/20/757819020.db2.gz LTJVLUINEVLSBQ-QXSJWSMHSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059046 757819032 /nfs/dbraw/zinc/81/90/32/757819032.db2.gz LTJVLUINEVLSBQ-QXSJWSMHSA-N 1 3 336.480 0.195 20 0 ECADHO CC(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014271 757941779 /nfs/dbraw/zinc/94/17/79/757941779.db2.gz MWPRKLHDUVXSNN-HZPDHXFCSA-N 1 3 337.468 0.266 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+]C[C@@H]3CCOC3)C2)CCC1 ZINC001051651560 762591071 /nfs/dbraw/zinc/59/10/71/762591071.db2.gz LAPIJWHHGQPHBD-LSDHHAIUSA-N 1 3 325.453 0.324 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049171256 758210482 /nfs/dbraw/zinc/21/04/82/758210482.db2.gz NGWLLNTYFBPYSR-RYQLBKOJSA-N 1 3 345.491 0.961 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049171256 758210493 /nfs/dbraw/zinc/21/04/93/758210493.db2.gz NGWLLNTYFBPYSR-RYQLBKOJSA-N 1 3 345.491 0.961 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001049174944 758224994 /nfs/dbraw/zinc/22/49/94/758224994.db2.gz DVJJHQGVCLZIEM-SOUVJXGZSA-N 1 3 346.475 0.140 20 0 ECADHO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)N3CCCCC3)C2)C1=O ZINC001022081473 758249083 /nfs/dbraw/zinc/24/90/83/758249083.db2.gz HABGCRILSPFZOE-QLFBSQMISA-N 1 3 336.480 0.718 20 0 ECADHO Cc1ncccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001022120097 758304009 /nfs/dbraw/zinc/30/40/09/758304009.db2.gz KKDONAHJHFDVRD-MHORFTMASA-N 1 3 344.459 0.990 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(CCO[C@@H]4CC4(F)F)C[C@H]3C2)C1 ZINC001049214766 758337592 /nfs/dbraw/zinc/33/75/92/758337592.db2.gz VPGGTCJWMJAYPX-APIJFGDWSA-N 1 3 343.418 0.753 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(CCO[C@@H]4CC4(F)F)C[C@H]3C2)C1 ZINC001049214766 758337601 /nfs/dbraw/zinc/33/76/01/758337601.db2.gz VPGGTCJWMJAYPX-APIJFGDWSA-N 1 3 343.418 0.753 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049233383 758397314 /nfs/dbraw/zinc/39/73/14/758397314.db2.gz NKURWPUFYKKXIH-VVLHAWIVSA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049233383 758397323 /nfs/dbraw/zinc/39/73/23/758397323.db2.gz NKURWPUFYKKXIH-VVLHAWIVSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1)C1CC1 ZINC000996674194 758423531 /nfs/dbraw/zinc/42/35/31/758423531.db2.gz ASBVNXAKGPHASW-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)n1 ZINC000996676460 758445418 /nfs/dbraw/zinc/44/54/18/758445418.db2.gz HMWVVOQIGYHKSZ-KRWDZBQOSA-N 1 3 348.495 0.816 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1)N(C)C ZINC000996695468 758496663 /nfs/dbraw/zinc/49/66/63/758496663.db2.gz LHKDNFCMMJMGPS-KRWDZBQOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CN1CCCC1 ZINC001011770910 758533730 /nfs/dbraw/zinc/53/37/30/758533730.db2.gz GVQVJVQLHUYQDC-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001022710276 759021730 /nfs/dbraw/zinc/02/17/30/759021730.db2.gz BTVSCKNPLRFEOR-LKQDWFRTSA-N 1 3 342.459 0.700 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)n[nH]1 ZINC001022719382 759038848 /nfs/dbraw/zinc/03/88/48/759038848.db2.gz KNDBLVAPFUMDGI-YIYPIFLZSA-N 1 3 334.468 0.863 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)n[nH]1 ZINC001022719382 759038855 /nfs/dbraw/zinc/03/88/55/759038855.db2.gz KNDBLVAPFUMDGI-YIYPIFLZSA-N 1 3 334.468 0.863 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CCN3CCn2cncn2)CC1 ZINC001049689486 759102958 /nfs/dbraw/zinc/10/29/58/759102958.db2.gz ZQCMOOCXMIDYRE-DLBZAZTESA-N 1 3 346.479 0.685 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022806851 759128526 /nfs/dbraw/zinc/12/85/26/759128526.db2.gz BVBKGYLHPUWOHM-OWCLPIDISA-N 1 3 334.468 0.778 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCN2CCCC2=O)C1 ZINC001049898239 759374052 /nfs/dbraw/zinc/37/40/52/759374052.db2.gz YBJIRUWZPLUQAI-BBWFWOEESA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCN2CCCC2=O)C1 ZINC001049898239 759374061 /nfs/dbraw/zinc/37/40/61/759374061.db2.gz YBJIRUWZPLUQAI-BBWFWOEESA-N 1 3 348.491 0.626 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001107036840 759490205 /nfs/dbraw/zinc/49/02/05/759490205.db2.gz RZOQDOODOWUUNU-BRWVUGGUSA-N 1 3 348.495 0.837 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001050063760 759642111 /nfs/dbraw/zinc/64/21/11/759642111.db2.gz UXIKYSMZMPBGGB-USXIJHARSA-N 1 3 348.491 0.672 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001050063760 759642115 /nfs/dbraw/zinc/64/21/15/759642115.db2.gz UXIKYSMZMPBGGB-USXIJHARSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047887695 759655523 /nfs/dbraw/zinc/65/55/23/759655523.db2.gz BHQLYXUTUPMBKJ-LSDHHAIUSA-N 1 3 346.479 0.770 20 0 ECADHO COc1nccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001048058594 759898505 /nfs/dbraw/zinc/89/85/05/759898505.db2.gz GKTBGGJIBGTUSM-HUUCEWRRSA-N 1 3 347.463 0.908 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001054298009 767907828 /nfs/dbraw/zinc/90/78/28/767907828.db2.gz PTDSZOPOOMQLPB-OWCLPIDISA-N 1 3 338.496 0.774 20 0 ECADHO CN1CCC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050234946 760014977 /nfs/dbraw/zinc/01/49/77/760014977.db2.gz JJKMUMVLEJOOIP-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO CN1CCC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050238646 760028800 /nfs/dbraw/zinc/02/88/00/760028800.db2.gz ZJMSHBOSCGTDTN-HIFRSBDPSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1nccn1C ZINC001048365292 760379436 /nfs/dbraw/zinc/37/94/36/760379436.db2.gz DSMKNVYPQRPSNX-GDBMZVCRSA-N 1 3 333.480 0.946 20 0 ECADHO CCn1cc(CNC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)nn1 ZINC001048365044 760380003 /nfs/dbraw/zinc/38/00/03/760380003.db2.gz BXGQDEZSUHSING-GDBMZVCRSA-N 1 3 348.495 0.824 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050524660 760430020 /nfs/dbraw/zinc/43/00/20/760430020.db2.gz JZXCQJWWLJKHAY-RBSFLKMASA-N 1 3 336.480 0.386 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524660 760430026 /nfs/dbraw/zinc/43/00/26/760430026.db2.gz JZXCQJWWLJKHAY-RBSFLKMASA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050544240 760464723 /nfs/dbraw/zinc/46/47/23/760464723.db2.gz PBGHJYSKPGRDCY-CQSZACIVSA-N 1 3 336.480 0.659 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663415 760640405 /nfs/dbraw/zinc/64/04/05/760640405.db2.gz UGSCXYWCZKLKQD-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663415 760640410 /nfs/dbraw/zinc/64/04/10/760640410.db2.gz UGSCXYWCZKLKQD-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)C1 ZINC001050728277 760741052 /nfs/dbraw/zinc/74/10/52/760741052.db2.gz QTGVOSOKTTXZOZ-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)C1 ZINC001050728277 760741056 /nfs/dbraw/zinc/74/10/56/760741056.db2.gz QTGVOSOKTTXZOZ-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050728285 760741238 /nfs/dbraw/zinc/74/12/38/760741238.db2.gz QTGVOSOKTTXZOZ-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050728285 760741243 /nfs/dbraw/zinc/74/12/43/760741243.db2.gz QTGVOSOKTTXZOZ-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753302 760779172 /nfs/dbraw/zinc/77/91/72/760779172.db2.gz HRPCLDWHUZTIBY-GJZGRUSLSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753302 760779179 /nfs/dbraw/zinc/77/91/79/760779179.db2.gz HRPCLDWHUZTIBY-GJZGRUSLSA-N 1 3 348.491 0.530 20 0 ECADHO Cn1cc(CN2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)CC2)cn1 ZINC001050754267 760782410 /nfs/dbraw/zinc/78/24/10/760782410.db2.gz UBOZWBHUNWMCQO-MRXNPFEDSA-N 1 3 331.464 0.796 20 0 ECADHO Cn1cc(CN2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)CC2)cn1 ZINC001050754267 760782416 /nfs/dbraw/zinc/78/24/16/760782416.db2.gz UBOZWBHUNWMCQO-MRXNPFEDSA-N 1 3 331.464 0.796 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)CN(C)C1CCC1 ZINC001012920413 760816870 /nfs/dbraw/zinc/81/68/70/760816870.db2.gz AWQSMXVAKGXGLS-CABCVRRESA-N 1 3 348.491 0.672 20 0 ECADHO CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1N[C@@H]1CCNC1=O ZINC000995995875 760919719 /nfs/dbraw/zinc/91/97/19/760919719.db2.gz IOKKXMIRBDGXQY-KGLIPLIRSA-N 1 3 334.464 0.330 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106246862 768011313 /nfs/dbraw/zinc/01/13/13/768011313.db2.gz SNGRMPMVCZPIIT-HUUCEWRRSA-N 1 3 334.468 0.447 20 0 ECADHO CN(C)C1(C(=O)N2CC=C(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)CCC1 ZINC001017464647 768012033 /nfs/dbraw/zinc/01/20/33/768012033.db2.gz JSYJGJHDTACUCC-INIZCTEOSA-N 1 3 348.491 0.697 20 0 ECADHO CN(C)C1(C(=O)N2CC=C(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CCC1 ZINC001017464647 768012041 /nfs/dbraw/zinc/01/20/41/768012041.db2.gz JSYJGJHDTACUCC-INIZCTEOSA-N 1 3 348.491 0.697 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249838 768018089 /nfs/dbraw/zinc/01/80/89/768018089.db2.gz SKHYJBDPPQCNCB-UNEWFSDZSA-N 1 3 338.496 0.489 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CCC1 ZINC000991532000 761416318 /nfs/dbraw/zinc/41/63/18/761416318.db2.gz GDYDOZWZCXLLTO-ZBFHGGJFSA-N 1 3 348.491 0.672 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CCC1 ZINC000991532000 761416323 /nfs/dbraw/zinc/41/63/23/761416323.db2.gz GDYDOZWZCXLLTO-ZBFHGGJFSA-N 1 3 348.491 0.672 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCO[C@H](CNCc3cccnc3)C2)CC1 ZINC001051800891 762997538 /nfs/dbraw/zinc/99/75/38/762997538.db2.gz GGMNFAAJEPVUKK-QGZVFWFLSA-N 1 3 332.448 0.740 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNCc3cccnc3)C2)C1 ZINC001051901851 763275973 /nfs/dbraw/zinc/27/59/73/763275973.db2.gz POYPFKIFQHJWLH-WBVHZDCISA-N 1 3 332.448 0.740 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNCc3cccnc3)C2)C1 ZINC001051901851 763275979 /nfs/dbraw/zinc/27/59/79/763275979.db2.gz POYPFKIFQHJWLH-WBVHZDCISA-N 1 3 332.448 0.740 20 0 ECADHO Cc1nc([C@H](C)NC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n[nH]1 ZINC001051904590 763290218 /nfs/dbraw/zinc/29/02/18/763290218.db2.gz RILOVWUDMVNCSA-GXTWGEPZSA-N 1 3 348.451 0.087 20 0 ECADHO O=C(N1CCO[C@H](CNCc2cccnc2)C1)C12CC[NH+](CC1)C2 ZINC001051904635 763290672 /nfs/dbraw/zinc/29/06/72/763290672.db2.gz SRVYSBSSLUOUNX-MRXNPFEDSA-N 1 3 330.432 0.494 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@](C)(C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001046899526 763340941 /nfs/dbraw/zinc/34/09/41/763340941.db2.gz IRZITYRKUPULMU-QAPCUYQASA-N 1 3 336.480 0.435 20 0 ECADHO Cc1ccncc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051930616 763363688 /nfs/dbraw/zinc/36/36/88/763363688.db2.gz PJBYAVQUJQZOQR-NVXWUHKLSA-N 1 3 332.448 0.659 20 0 ECADHO Cc1ccncc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051930616 763363697 /nfs/dbraw/zinc/36/36/97/763363697.db2.gz PJBYAVQUJQZOQR-NVXWUHKLSA-N 1 3 332.448 0.659 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1)N(C)C ZINC001106308880 768132878 /nfs/dbraw/zinc/13/28/78/768132878.db2.gz FZOWXYCZKFGHGN-IIAWOOMASA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H](O)CN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994470 764025865 /nfs/dbraw/zinc/02/58/65/764025865.db2.gz ZOZWDWZUKPCHRL-QGTPRVQTSA-N 1 3 331.460 0.761 20 0 ECADHO C[C@H](O)CN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994470 764025877 /nfs/dbraw/zinc/02/58/77/764025877.db2.gz ZOZWDWZUKPCHRL-QGTPRVQTSA-N 1 3 331.460 0.761 20 0 ECADHO CO[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047504741 764538065 /nfs/dbraw/zinc/53/80/65/764538065.db2.gz TYKIZCMCRPXNAH-SNPRPXQTSA-N 1 3 339.436 0.493 20 0 ECADHO CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047504741 764538073 /nfs/dbraw/zinc/53/80/73/764538073.db2.gz TYKIZCMCRPXNAH-SNPRPXQTSA-N 1 3 339.436 0.493 20 0 ECADHO CC[C@H](C(N)=O)N1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052529912 764699942 /nfs/dbraw/zinc/69/99/42/764699942.db2.gz UTJYSECXOHUKEM-HUUCEWRRSA-N 1 3 336.480 0.849 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766445 765083716 /nfs/dbraw/zinc/08/37/16/765083716.db2.gz DABOXJGZMVEEKL-ZBFHGGJFSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(C[C@H](O)Cn3cccn3)C2)CC1 ZINC001015794443 765332625 /nfs/dbraw/zinc/33/26/25/765332625.db2.gz GTGGPDIYHWKIEW-SJORKVTESA-N 1 3 349.479 0.166 20 0 ECADHO C[C@@H](F)CCN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826193 765389205 /nfs/dbraw/zinc/38/92/05/765389205.db2.gz BUVDLCKHCLWHJV-HIFRSBDPSA-N 1 3 325.432 0.997 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CCN(C(=O)CN2CCCC2)CC1 ZINC001017736823 768335760 /nfs/dbraw/zinc/33/57/60/768335760.db2.gz IZVGRSUMIDDCKI-RDJZCZTQSA-N 1 3 348.491 0.555 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(C(=O)CN2CCCC2)CC1 ZINC001017736823 768335766 /nfs/dbraw/zinc/33/57/66/768335766.db2.gz IZVGRSUMIDDCKI-RDJZCZTQSA-N 1 3 348.491 0.555 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCc1cnnn1C ZINC001054854877 768341620 /nfs/dbraw/zinc/34/16/20/768341620.db2.gz ZPIWHGHSQZVSFA-HIFRSBDPSA-N 1 3 332.452 0.380 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)CCC1 ZINC001045792833 766377147 /nfs/dbraw/zinc/37/71/47/766377147.db2.gz GBZIMNWKKCAHPO-OWCLPIDISA-N 1 3 348.491 0.815 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCCNC2=O)CCC1 ZINC001045792833 766377151 /nfs/dbraw/zinc/37/71/51/766377151.db2.gz GBZIMNWKKCAHPO-OWCLPIDISA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001045825355 766409804 /nfs/dbraw/zinc/40/98/04/766409804.db2.gz XTRMWOARRUMFLF-OWCLPIDISA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O)N1CCCC1 ZINC001045825355 766409811 /nfs/dbraw/zinc/40/98/11/766409811.db2.gz XTRMWOARRUMFLF-OWCLPIDISA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O)N1CCCC1 ZINC001045825355 766409814 /nfs/dbraw/zinc/40/98/14/766409814.db2.gz XTRMWOARRUMFLF-OWCLPIDISA-N 1 3 348.491 0.815 20 0 ECADHO O=C(N1CC[C@@H](n2cc(CNCC3CC3)nn2)C1)C12CC[NH+](CC1)C2 ZINC001089595271 766597668 /nfs/dbraw/zinc/59/76/68/766597668.db2.gz LZZGVLNPEWQCGS-MRXNPFEDSA-N 1 3 344.463 0.647 20 0 ECADHO C[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035535 766721301 /nfs/dbraw/zinc/72/13/01/766721301.db2.gz OLSCUDVGKDVHTE-JKSUJKDBSA-N 1 3 338.496 0.070 20 0 ECADHO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035535 766721304 /nfs/dbraw/zinc/72/13/04/766721304.db2.gz OLSCUDVGKDVHTE-JKSUJKDBSA-N 1 3 338.496 0.070 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(CCn2cncn2)CC3)C1 ZINC000992505689 766740097 /nfs/dbraw/zinc/74/00/97/766740097.db2.gz SKZYIJWUTZAHPZ-ZOBUZTSGSA-N 1 3 332.452 0.343 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(CCn2cncn2)CC3)C1 ZINC000992505689 766740105 /nfs/dbraw/zinc/74/01/05/766740105.db2.gz SKZYIJWUTZAHPZ-ZOBUZTSGSA-N 1 3 332.452 0.343 20 0 ECADHO CO[C@H](C)CN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727297 766858464 /nfs/dbraw/zinc/85/84/64/766858464.db2.gz DDLMVLZSYBOJCN-PBHICJAKSA-N 1 3 339.480 0.713 20 0 ECADHO CO[C@H](C)CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727297 766858471 /nfs/dbraw/zinc/85/84/71/766858471.db2.gz DDLMVLZSYBOJCN-PBHICJAKSA-N 1 3 339.480 0.713 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1 ZINC001106905737 766955791 /nfs/dbraw/zinc/95/57/91/766955791.db2.gz FSRGZMWBHMTMKN-HUUCEWRRSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000994849522 766992557 /nfs/dbraw/zinc/99/25/57/766992557.db2.gz ZCSCZUBTRJPZCW-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000994852302 767017730 /nfs/dbraw/zinc/01/77/30/767017730.db2.gz CKESNYXMZQUFHB-HZPDHXFCSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000994852302 767017741 /nfs/dbraw/zinc/01/77/41/767017741.db2.gz CKESNYXMZQUFHB-HZPDHXFCSA-N 1 3 334.464 0.426 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CCC1 ZINC000994854865 767037966 /nfs/dbraw/zinc/03/79/66/767037966.db2.gz NHJWRMGMKJUPBO-JKSUJKDBSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CCC1 ZINC000994854865 767037976 /nfs/dbraw/zinc/03/79/76/767037976.db2.gz NHJWRMGMKJUPBO-JKSUJKDBSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC000938683255 767061594 /nfs/dbraw/zinc/06/15/94/767061594.db2.gz IMIDNIXIRWZHGP-CVEARBPZSA-N 1 3 348.491 0.482 20 0 ECADHO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089818742 767299004 /nfs/dbraw/zinc/29/90/04/767299004.db2.gz CJYIRPDCGKIRBE-VGWMRTNUSA-N 1 3 348.491 0.386 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089818742 767299005 /nfs/dbraw/zinc/29/90/05/767299005.db2.gz CJYIRPDCGKIRBE-VGWMRTNUSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)c1ccncc1C(=O)N[C@@H]1CC12CC[NH+](CC(N)=O)CC2 ZINC001016931993 767337637 /nfs/dbraw/zinc/33/76/37/767337637.db2.gz ZQRXAMILHCPVKT-CQSZACIVSA-N 1 3 331.420 0.217 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463789 767476119 /nfs/dbraw/zinc/47/61/19/767476119.db2.gz GGJBIJZEFWTAMV-KBPBESRZSA-N 1 3 333.436 0.259 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463789 767476124 /nfs/dbraw/zinc/47/61/24/767476124.db2.gz GGJBIJZEFWTAMV-KBPBESRZSA-N 1 3 333.436 0.259 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(N)=O)[C@H]3C2)C1 ZINC000992822563 767638051 /nfs/dbraw/zinc/63/80/51/767638051.db2.gz WSBIDFNDTHENBS-KKUMJFAQSA-N 1 3 336.480 0.420 20 0 ECADHO Cn1ncnc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000992911993 767786363 /nfs/dbraw/zinc/78/63/63/767786363.db2.gz YXEMVUJYCAGUEQ-ARFHVFGLSA-N 1 3 346.479 0.628 20 0 ECADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(=O)N1CCC1 ZINC001054969709 768484549 /nfs/dbraw/zinc/48/45/49/768484549.db2.gz STVGMQMSNYQJDR-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CCCC[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001106704824 768693364 /nfs/dbraw/zinc/69/33/64/768693364.db2.gz DJLIYEYVKWLLEG-NFAWXSAZSA-N 1 3 335.452 0.680 20 0 ECADHO CCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705139 768694591 /nfs/dbraw/zinc/69/45/91/768694591.db2.gz TZCWESBXVOSZPQ-QLFBSQMISA-N 1 3 349.479 0.941 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1 ZINC001106782958 768949181 /nfs/dbraw/zinc/94/91/81/768949181.db2.gz FDEWSSBVKVMMJH-HZPDHXFCSA-N 1 3 335.496 0.989 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000993806763 769651483 /nfs/dbraw/zinc/65/14/83/769651483.db2.gz NZWDKHZERYVJEA-DLBZAZTESA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000993866970 769816158 /nfs/dbraw/zinc/81/61/58/769816158.db2.gz SBDFQUFYPGSYOF-MRXNPFEDSA-N 1 3 348.491 0.816 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001019000927 770533279 /nfs/dbraw/zinc/53/32/79/770533279.db2.gz YALGTVVXFDUKAR-ILXRZTDVSA-N 1 3 345.509 0.198 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@H]3CCC(F)(F)C3)C[C@@H]2O)CC1 ZINC001083750072 770572385 /nfs/dbraw/zinc/57/23/85/770572385.db2.gz DVDMFDOXJZKXOU-CFVMTHIKSA-N 1 3 345.434 0.925 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCCC2)C1)N(C)C ZINC001019034518 770613133 /nfs/dbraw/zinc/61/31/33/770613133.db2.gz GDBCBRGDDFBGIE-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1)N(C)C ZINC001019038423 770628458 /nfs/dbraw/zinc/62/84/58/770628458.db2.gz RFVLZHIQQHTVRZ-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H](C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1)N(C)C ZINC001019038423 770628464 /nfs/dbraw/zinc/62/84/64/770628464.db2.gz RFVLZHIQQHTVRZ-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001019240601 771046870 /nfs/dbraw/zinc/04/68/70/771046870.db2.gz UFRAAJKAPPNYJY-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC(=O)N1CCCO[C@H](C[NH2+]C[C@H]2CCOC2)C1)C1CCC1 ZINC001078411406 782896507 /nfs/dbraw/zinc/89/65/07/782896507.db2.gz LZIXZIZTQBKUOM-NVXWUHKLSA-N 1 3 339.480 0.714 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@H](N[C@@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC001019324843 771158153 /nfs/dbraw/zinc/15/81/53/771158153.db2.gz DPFDTZQQNIYKIV-DOTOQJQBSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2cccc(C(N)=O)c2)C1 ZINC001019380993 771228185 /nfs/dbraw/zinc/22/81/85/771228185.db2.gz VDWZYDLZMGBVFF-PBHICJAKSA-N 1 3 344.459 0.960 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2cccc(C(N)=O)c2)C1 ZINC001019380993 771228190 /nfs/dbraw/zinc/22/81/90/771228190.db2.gz VDWZYDLZMGBVFF-PBHICJAKSA-N 1 3 344.459 0.960 20 0 ECADHO C[C@@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NCc1ccco1 ZINC001127466659 771285231 /nfs/dbraw/zinc/28/52/31/771285231.db2.gz YWSNQEHGYOVSRP-CJNGLKHVSA-N 1 3 348.447 0.332 20 0 ECADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475776 771309046 /nfs/dbraw/zinc/30/90/46/771309046.db2.gz YOWSWOBKJDJIRE-ZBFHGGJFSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccco1 ZINC001127481909 771319337 /nfs/dbraw/zinc/31/93/37/771319337.db2.gz YQZQPQOHSCHADZ-ZFWWWQNUSA-N 1 3 348.447 0.504 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)CC[N@@H+]1C ZINC001019494382 771360539 /nfs/dbraw/zinc/36/05/39/771360539.db2.gz IWZBMXKQCWBRPK-UKRRQHHQSA-N 1 3 345.447 0.353 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)CC[N@H+]1C ZINC001019494382 771360542 /nfs/dbraw/zinc/36/05/42/771360542.db2.gz IWZBMXKQCWBRPK-UKRRQHHQSA-N 1 3 345.447 0.353 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@H](NCc3cccnc3)C2)cn1 ZINC001019496537 771364226 /nfs/dbraw/zinc/36/42/26/771364226.db2.gz YPGGRVQLXYIOOC-KRWDZBQOSA-N 1 3 342.447 0.844 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)cc1 ZINC001019518441 771399537 /nfs/dbraw/zinc/39/95/37/771399537.db2.gz OESVTUWTACMHSR-HOTGVXAUSA-N 1 3 330.432 0.441 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001056717198 771549275 /nfs/dbraw/zinc/54/92/75/771549275.db2.gz ZZMDSCBQBZMZDU-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001019651826 771669091 /nfs/dbraw/zinc/66/90/91/771669091.db2.gz DMPPXWCVEUKRNQ-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001019651826 771669093 /nfs/dbraw/zinc/66/90/93/771669093.db2.gz DMPPXWCVEUKRNQ-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO COc1ccc(CN[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001019659368 771682450 /nfs/dbraw/zinc/68/24/50/771682450.db2.gz AICLTTWYQOGHLJ-HNNXBMFYSA-N 1 3 330.432 0.877 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccns2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001020179363 772251487 /nfs/dbraw/zinc/25/14/87/772251487.db2.gz YIMOEUVVXJQSIT-PWNZVWSESA-N 1 3 336.461 0.743 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccns2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001020179363 772251489 /nfs/dbraw/zinc/25/14/89/772251489.db2.gz YIMOEUVVXJQSIT-PWNZVWSESA-N 1 3 336.461 0.743 20 0 ECADHO Cn1nccc1CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001020179419 772252093 /nfs/dbraw/zinc/25/20/93/772252093.db2.gz ZYQUSOLMAYGVTQ-OTRWWLKZSA-N 1 3 347.463 0.063 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001020238912 772334426 /nfs/dbraw/zinc/33/44/26/772334426.db2.gz 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CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001078472740 783018055 /nfs/dbraw/zinc/01/80/55/783018055.db2.gz GLFMWZUGGIQNHK-KKUMJFAQSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001078472740 783018062 /nfs/dbraw/zinc/01/80/62/783018062.db2.gz GLFMWZUGGIQNHK-KKUMJFAQSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)CN1CC[C@H](C)C1)[NH+](C)C ZINC001078472747 783018315 /nfs/dbraw/zinc/01/83/15/783018315.db2.gz GLWOOWKYNSNDDM-YQQAZPJKSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751121 774577967 /nfs/dbraw/zinc/57/79/67/774577967.db2.gz QPFZSAGBFOBWGH-KBPBESRZSA-N 1 3 333.436 0.544 20 0 ECADHO COc1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)n1 ZINC001044959976 774769946 /nfs/dbraw/zinc/76/99/46/774769946.db2.gz RBQQWZGVZRHORG-JKSUJKDBSA-N 1 3 347.463 0.968 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045060912 774915975 /nfs/dbraw/zinc/91/59/75/774915975.db2.gz OIRYGHKMDVWGOP-HOCLYGCPSA-N 1 3 334.468 0.770 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045060912 774915977 /nfs/dbraw/zinc/91/59/77/774915977.db2.gz OIRYGHKMDVWGOP-HOCLYGCPSA-N 1 3 334.468 0.770 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)CC1 ZINC001045262164 775261679 /nfs/dbraw/zinc/26/16/79/775261679.db2.gz JZUCOMZOTRYVSN-JKSUJKDBSA-N 1 3 336.480 0.576 20 0 ECADHO Cc1nc([C@H](C)NC[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001045276196 775298664 /nfs/dbraw/zinc/29/86/64/775298664.db2.gz BJDYCXMDCHZAPG-JSGCOSHPSA-N 1 3 332.452 0.851 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CCN(CCn2cncn2)CC1 ZINC001045554194 775785764 /nfs/dbraw/zinc/78/57/64/775785764.db2.gz PRUCMNWWEDKLLY-GJZGRUSLSA-N 1 3 334.468 0.447 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CCN(CCn2cncn2)CC1 ZINC001045554194 775785772 /nfs/dbraw/zinc/78/57/72/775785772.db2.gz PRUCMNWWEDKLLY-GJZGRUSLSA-N 1 3 334.468 0.447 20 0 ECADHO 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ZINC001079951917 777139221 /nfs/dbraw/zinc/13/92/21/777139221.db2.gz LUHAMHKFJKBEOQ-HOCLYGCPSA-N 1 3 338.496 0.584 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080138836 777444779 /nfs/dbraw/zinc/44/47/79/777444779.db2.gz QEFCDWYMAPHBCT-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080138836 777444783 /nfs/dbraw/zinc/44/47/83/777444783.db2.gz QEFCDWYMAPHBCT-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080146578 777465351 /nfs/dbraw/zinc/46/53/51/777465351.db2.gz NKKPVWRXOTXITB-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080146578 777465353 /nfs/dbraw/zinc/46/53/53/777465353.db2.gz NKKPVWRXOTXITB-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001080533329 777974294 /nfs/dbraw/zinc/97/42/94/777974294.db2.gz 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CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001080558169 778028490 /nfs/dbraw/zinc/02/84/90/778028490.db2.gz OEXTUCQNGFPVOV-GDBMZVCRSA-N 1 3 338.496 0.585 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001080558169 778028502 /nfs/dbraw/zinc/02/85/02/778028502.db2.gz OEXTUCQNGFPVOV-GDBMZVCRSA-N 1 3 338.496 0.585 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001080559217 778034294 /nfs/dbraw/zinc/03/42/94/778034294.db2.gz AJPYDINIDKPFHK-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001080559217 778034300 /nfs/dbraw/zinc/03/43/00/778034300.db2.gz AJPYDINIDKPFHK-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N(C)C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001043629561 778625341 /nfs/dbraw/zinc/62/53/41/778625341.db2.gz RFDMNSCVUPWMBJ-ZBFHGGJFSA-N 1 3 325.453 0.275 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001078502108 780029655 /nfs/dbraw/zinc/02/96/55/780029655.db2.gz LACHKQZTQTUVMX-BPUTZDHNSA-N 1 3 338.496 0.679 20 0 ECADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001079493988 781182703 /nfs/dbraw/zinc/18/27/03/781182703.db2.gz OBOOQNGJYIBUSM-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001077665365 781459784 /nfs/dbraw/zinc/45/97/84/781459784.db2.gz PUEGLHSMFHNHSK-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001077665365 781459789 /nfs/dbraw/zinc/45/97/89/781459789.db2.gz PUEGLHSMFHNHSK-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077678839 781492745 /nfs/dbraw/zinc/49/27/45/781492745.db2.gz YGBQFUQPRLGICS-SWLSCSKDSA-N 1 3 347.463 0.613 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001077778546 781680585 /nfs/dbraw/zinc/68/05/85/781680585.db2.gz PMKQSZILGLYMRM-GVDBMIGSSA-N 1 3 339.480 0.449 20 0 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Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)CC[NH3+])c1 ZINC000419993827 209272321 /nfs/dbraw/zinc/27/23/21/209272321.db2.gz MMEGPPVYSCNRSC-HNNXBMFYSA-N 1 3 334.464 0.739 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419971254 209266267 /nfs/dbraw/zinc/26/62/67/209266267.db2.gz WLKNSTGZDBMWON-CVEARBPZSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000419965247 209262528 /nfs/dbraw/zinc/26/25/28/209262528.db2.gz XYPQGRZUHWBYFL-ZDUSSCGKSA-N 1 3 338.427 0.427 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419908937 209245515 /nfs/dbraw/zinc/24/55/15/209245515.db2.gz FOAIQWDLTKUFHI-ZBFHGGJFSA-N 1 3 332.448 0.603 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419908937 209245519 /nfs/dbraw/zinc/24/55/19/209245519.db2.gz FOAIQWDLTKUFHI-ZBFHGGJFSA-N 1 3 332.448 0.603 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000419883352 209236267 /nfs/dbraw/zinc/23/62/67/209236267.db2.gz DCDDPTJJWWRNAV-UHFFFAOYSA-N 1 3 326.466 0.364 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419850742 209225191 /nfs/dbraw/zinc/22/51/91/209225191.db2.gz MNFOZMQVDIBWMI-UHFFFAOYSA-N 1 3 347.463 0.232 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000419845375 209223482 /nfs/dbraw/zinc/22/34/82/209223482.db2.gz DTNOBXNOGDNBDA-UHFFFAOYSA-N 1 3 334.464 0.611 20 0 ECADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419830725 209216547 /nfs/dbraw/zinc/21/65/47/209216547.db2.gz KKFIUQZXHAEVIR-UHFFFAOYSA-N 1 3 326.485 0.810 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CNC2)C[NH+]1CCCC1 ZINC000419815216 209211982 /nfs/dbraw/zinc/21/19/82/209211982.db2.gz HQLHYBHWPXCSEM-AWEZNQCLSA-N 1 3 344.459 0.754 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1=O ZINC000356250409 299370179 /nfs/dbraw/zinc/37/01/79/299370179.db2.gz FPAOUBFOHUTYLZ-QAPCUYQASA-N 1 3 336.480 0.341 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1=O ZINC000356250409 299370182 /nfs/dbraw/zinc/37/01/82/299370182.db2.gz FPAOUBFOHUTYLZ-QAPCUYQASA-N 1 3 336.480 0.341 20 0 ECADHO C[NH+](C)CCOCCNCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419677923 209167287 /nfs/dbraw/zinc/16/72/87/209167287.db2.gz DAIIRHRRUOEWER-UHFFFAOYSA-N 1 3 335.857 0.655 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419654824 209158542 /nfs/dbraw/zinc/15/85/42/209158542.db2.gz SJACLNWJAGZFQS-AWEZNQCLSA-N 1 3 334.464 0.958 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCSC1 ZINC000419592370 209135176 /nfs/dbraw/zinc/13/51/76/209135176.db2.gz WUSFXHCVQBRUHW-CJNGLKHVSA-N 1 3 342.509 0.127 20 0 ECADHO N[C@H](CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000419529168 209117209 /nfs/dbraw/zinc/11/72/09/209117209.db2.gz ICIZGVNFHPTWDR-OFLPRAFFSA-N 1 3 344.459 0.936 20 0 ECADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000449707833 211293858 /nfs/dbraw/zinc/29/38/58/211293858.db2.gz DYQRPTFJEABHPS-SFHVURJKSA-N 1 3 346.475 0.693 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091232125 217983412 /nfs/dbraw/zinc/98/34/12/217983412.db2.gz PFBLJVOKISNXRN-SFHVURJKSA-N 1 3 349.479 0.910 20 0 ECADHO CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CCN(CCn2cccn2)CC1 ZINC000444272708 211065064 /nfs/dbraw/zinc/06/50/64/211065064.db2.gz YLJVBMMVIQSUSP-SJLPKXTDSA-N 1 3 331.464 0.806 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[NH+]2CCC(O)CC2)C1(C)C ZINC000444185018 211056695 /nfs/dbraw/zinc/05/66/95/211056695.db2.gz PVRGNLJUIPLBHI-RHSMWYFYSA-N 1 3 327.469 0.482 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000411775171 208143706 /nfs/dbraw/zinc/14/37/06/208143706.db2.gz XELAFCSBONIBQT-ZWKOTPCHSA-N 1 3 339.480 0.497 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)[C@@H]1C[NH3+] ZINC000423728407 296363677 /nfs/dbraw/zinc/36/36/77/296363677.db2.gz JQNADYFGRKYVOO-BZUAXINKSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CCSC1 ZINC000433381616 210522054 /nfs/dbraw/zinc/52/20/54/210522054.db2.gz ANXGKSMUJFHTIJ-IUODEOHRSA-N 1 3 338.481 0.370 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c(OCCN(C)C)c1 ZINC000415421777 208512336 /nfs/dbraw/zinc/51/23/36/208512336.db2.gz VPNHHRSGDXYUFL-ZDUSSCGKSA-N 1 3 336.436 0.680 20 0 ECADHO Cc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)ccc1OCCN(C)C ZINC000415544337 208539615 /nfs/dbraw/zinc/53/96/15/208539615.db2.gz ZYGPLRGGIXQMKK-HNNXBMFYSA-N 1 3 348.447 0.727 20 0 ECADHO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000419427246 209092048 /nfs/dbraw/zinc/09/20/48/209092048.db2.gz ROYWSJOJJKHAJJ-IRXDYDNUSA-N 1 3 344.459 0.793 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419164037 209008017 /nfs/dbraw/zinc/00/80/17/209008017.db2.gz XYXBJFSAMMRNII-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419173828 209011949 /nfs/dbraw/zinc/01/19/49/209011949.db2.gz UOZZGECYVIFBEP-JKSUJKDBSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419188202 209017549 /nfs/dbraw/zinc/01/75/49/209017549.db2.gz KBYWHJMMONPZJI-OAHLLOKOSA-N 1 3 346.475 0.663 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000419216350 209029505 /nfs/dbraw/zinc/02/95/05/209029505.db2.gz OZTNQIAXNCLIQC-HNNXBMFYSA-N 1 3 348.447 0.111 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NCCN)cc1 ZINC000419180875 209014876 /nfs/dbraw/zinc/01/48/76/209014876.db2.gz AYDWGCZTOAMQRL-CQSZACIVSA-N 1 3 332.448 0.752 20 0 ECADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NCCN)cc1 ZINC000419180875 209014879 /nfs/dbraw/zinc/01/48/79/209014879.db2.gz AYDWGCZTOAMQRL-CQSZACIVSA-N 1 3 332.448 0.752 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419222354 209030948 /nfs/dbraw/zinc/03/09/48/209030948.db2.gz BRPFLIZROCJWES-UAGQMJEPSA-N 1 3 344.459 0.573 20 0 ECADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N(C)[C@H](C)CN)c1 ZINC000419275627 209048711 /nfs/dbraw/zinc/04/87/11/209048711.db2.gz ZATCWLSHFJYXNB-CQSZACIVSA-N 1 3 334.464 0.950 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419332214 209061554 /nfs/dbraw/zinc/06/15/54/209061554.db2.gz KHXRPFMZQOSNGC-PXAZEXFGSA-N 1 3 342.443 0.505 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000130146486 285317920 /nfs/dbraw/zinc/31/79/20/285317920.db2.gz RWMFJUWKPOBOGW-DLBZAZTESA-N 1 3 339.528 0.853 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)NCCN2CC[NH2+]CC2)o1 ZINC000418302746 292098199 /nfs/dbraw/zinc/09/81/99/292098199.db2.gz MKSARXPZMQYYMY-UHFFFAOYSA-N 1 3 337.468 0.566 20 0 ECADHO Cc1ccn2c(c1)ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2=O ZINC000104533446 296635152 /nfs/dbraw/zinc/63/51/52/296635152.db2.gz ZOBNJKORJCBTRU-UHFFFAOYSA-N 1 3 345.447 0.568 20 0 ECADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000460071233 286792305 /nfs/dbraw/zinc/79/23/05/286792305.db2.gz YJPRNBQTOFARNH-GOEBONIOSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)N1CCC(C)CC1 ZINC000262094718 165289490 /nfs/dbraw/zinc/28/94/90/165289490.db2.gz DIXFBBBAQLEOKN-OIISXLGYSA-N 1 3 333.480 0.960 20 0 ECADHO NC(=O)c1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000262121272 165294794 /nfs/dbraw/zinc/29/47/94/165294794.db2.gz CANJDBHSYXFTSB-DOTOQJQBSA-N 1 3 344.459 0.866 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)CC1=O ZINC000262517456 165357643 /nfs/dbraw/zinc/35/76/43/165357643.db2.gz UOEJNACUFBQBEA-ARFHVFGLSA-N 1 3 336.480 0.435 20 0 ECADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)N2CCN(CC)CC2)C1(C)C ZINC000262769338 165384909 /nfs/dbraw/zinc/38/49/09/165384909.db2.gz HDVJXHFUXYTEFE-RKVPGOIHSA-N 1 3 340.512 0.661 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000341030283 165483001 /nfs/dbraw/zinc/48/30/01/165483001.db2.gz NUJALNQLSDQPMW-KLHDSHLOSA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419407273 209084611 /nfs/dbraw/zinc/08/46/11/209084611.db2.gz JYOMPCVQBMRNBS-LSDHHAIUSA-N 1 3 326.485 0.666 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419409270 209085320 /nfs/dbraw/zinc/08/53/20/209085320.db2.gz MWQIJGUXIBPTMN-MRXNPFEDSA-N 1 3 332.448 0.651 20 0 ECADHO C[C@H]([NH2+]C1CC1)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000295268500 265057366 /nfs/dbraw/zinc/05/73/66/265057366.db2.gz VJYXPTYLZLIGLN-ZDUSSCGKSA-N 1 3 332.448 0.735 20 0 ECADHO CC(C)[C@H](C[NH3+])C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000433152701 275698338 /nfs/dbraw/zinc/69/83/38/275698338.db2.gz MYXKOWZARHHRMS-INIZCTEOSA-N 1 3 334.464 0.825 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419666233 277024328 /nfs/dbraw/zinc/02/43/28/277024328.db2.gz VNLMWQLUWNTFIE-ZBFHGGJFSA-N 1 3 332.448 0.491 20 0 ECADHO CNC[C@H](O)C[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496054073 277031432 /nfs/dbraw/zinc/03/14/32/277031432.db2.gz UQAHSNWYCLOIIC-XJKSGUPXSA-N 1 3 331.457 0.308 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419373118 277738120 /nfs/dbraw/zinc/73/81/20/277738120.db2.gz NMQJPWIGKZGBOX-HZPDHXFCSA-N 1 3 338.496 0.666 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340207468 437598337 /nfs/dbraw/zinc/59/83/37/437598337.db2.gz VWGSOSVLJSGLNK-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340207468 437598340 /nfs/dbraw/zinc/59/83/40/437598340.db2.gz VWGSOSVLJSGLNK-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000360421649 437599476 /nfs/dbraw/zinc/59/94/76/437599476.db2.gz AJIAQAYDHTUADB-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(CN1C[C@H](C(N)=O)CC[C@@H]1C)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000124506950 278156659 /nfs/dbraw/zinc/15/66/59/278156659.db2.gz XMNBPMKPBVVEKQ-CAOSSQGBSA-N 1 3 338.496 0.794 20 0 ECADHO CC(CN1C[C@H](C(N)=O)CC[C@@H]1C)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000124506950 278156661 /nfs/dbraw/zinc/15/66/61/278156661.db2.gz XMNBPMKPBVVEKQ-CAOSSQGBSA-N 1 3 338.496 0.794 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418938019 279113872 /nfs/dbraw/zinc/11/38/72/279113872.db2.gz LQAKUMSVRMLNSQ-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422431218 279154494 /nfs/dbraw/zinc/15/44/94/279154494.db2.gz KPKJIZWXPFUIIB-HUUCEWRRSA-N 1 3 326.485 0.774 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C2CC[NH2+]CC2)CC1=O ZINC000236831821 279303395 /nfs/dbraw/zinc/30/33/95/279303395.db2.gz MOBWPBGKUWCMKT-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419379380 280239631 /nfs/dbraw/zinc/23/96/31/280239631.db2.gz WQUSTAFZWIHYBL-HOTGVXAUSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H](CN)C1CC1)[NH+]1CCCCCC1 ZINC000419125132 280239800 /nfs/dbraw/zinc/23/98/00/280239800.db2.gz JFJHEQYYSCGWEV-HOTGVXAUSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)N1CCN(C)CC1 ZINC000112742084 280241207 /nfs/dbraw/zinc/24/12/07/280241207.db2.gz HTBLMPSFOIOORY-KRWDZBQOSA-N 1 3 339.528 0.996 20 0 ECADHO CN(C)C[C@](C)(O)CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418755121 289220055 /nfs/dbraw/zinc/22/00/55/289220055.db2.gz BMRWKKOFQVWBAU-IWZRMPOGSA-N 1 3 338.496 0.752 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000332168929 297011337 /nfs/dbraw/zinc/01/13/37/297011337.db2.gz RNTYZSZXWYZAAA-KBMXLJTQSA-N 1 3 336.480 0.705 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332182954 297013984 /nfs/dbraw/zinc/01/39/84/297013984.db2.gz VYYKAMZJMLSERA-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332182954 297013986 /nfs/dbraw/zinc/01/39/86/297013986.db2.gz VYYKAMZJMLSERA-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000332265902 297024295 /nfs/dbraw/zinc/02/42/95/297024295.db2.gz BKRCWBWOYNHVOT-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000332405078 297038140 /nfs/dbraw/zinc/03/81/40/297038140.db2.gz OPPQVYWHQOXRDY-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000332560198 297052632 /nfs/dbraw/zinc/05/26/32/297052632.db2.gz QAERCKTXCMSQJM-JJXSEGSLSA-N 1 3 336.480 0.705 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC1 ZINC000332616389 297058924 /nfs/dbraw/zinc/05/89/24/297058924.db2.gz SJPXETVVOYSCGJ-HOCLYGCPSA-N 1 3 336.480 0.671 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1CC1 ZINC000419185868 295242304 /nfs/dbraw/zinc/24/23/04/295242304.db2.gz PMEWNMWRILHXDO-HZPDHXFCSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000419185868 295242305 /nfs/dbraw/zinc/24/23/05/295242305.db2.gz PMEWNMWRILHXDO-HZPDHXFCSA-N 1 3 336.480 0.753 20 0 ECADHO N[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000419907305 295330589 /nfs/dbraw/zinc/33/05/89/295330589.db2.gz BTGIGVZPWSITQX-DLBZAZTESA-N 1 3 344.459 0.889 20 0 ECADHO O=S(=O)([C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1)N1CCOCC1 ZINC000333483675 297137447 /nfs/dbraw/zinc/13/74/47/297137447.db2.gz CJKKRFVWUCDKRJ-HZPDHXFCSA-N 1 3 345.509 0.503 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](CO)[C@@H](c3cnn(C)c3)C2)CC1 ZINC000337446217 297188697 /nfs/dbraw/zinc/18/86/97/297188697.db2.gz CIOZLGHXWAAMTM-RTBURBONSA-N 1 3 349.523 0.844 20 0 ECADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](CO)[C@@H](c3cnn(C)c3)C2)CC1 ZINC000337446217 297188701 /nfs/dbraw/zinc/18/87/01/297188701.db2.gz CIOZLGHXWAAMTM-RTBURBONSA-N 1 3 349.523 0.844 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000339577328 297361014 /nfs/dbraw/zinc/36/10/14/297361014.db2.gz XLWDTIFEDLTDRC-GASCZTMLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CCN1C ZINC000339591690 297362214 /nfs/dbraw/zinc/36/22/14/297362214.db2.gz WWAVCXGOXRJPHS-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000339618044 297365284 /nfs/dbraw/zinc/36/52/84/297365284.db2.gz FAYKOAWHOMOJLC-CQSZACIVSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339748612 297377755 /nfs/dbraw/zinc/37/77/55/297377755.db2.gz GBZFRLQYTCAQDR-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000343143684 297833573 /nfs/dbraw/zinc/83/35/73/297833573.db2.gz FTPKFIZRIBRUOU-GJZGRUSLSA-N 1 3 340.512 0.879 20 0 ECADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000344450302 298021427 /nfs/dbraw/zinc/02/14/27/298021427.db2.gz HYYZZRCWEBUCGC-NXHRZFHOSA-N 1 3 332.492 0.852 20 0 ECADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000344450302 298021428 /nfs/dbraw/zinc/02/14/28/298021428.db2.gz HYYZZRCWEBUCGC-NXHRZFHOSA-N 1 3 332.492 0.852 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000346532654 298288387 /nfs/dbraw/zinc/28/83/87/298288387.db2.gz PGCCKDIUFMRXOE-VZAMPYOESA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000346532654 298288390 /nfs/dbraw/zinc/28/83/90/298288390.db2.gz PGCCKDIUFMRXOE-VZAMPYOESA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000346532654 298288391 /nfs/dbraw/zinc/28/83/91/298288391.db2.gz PGCCKDIUFMRXOE-VZAMPYOESA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000346532654 298288393 /nfs/dbraw/zinc/28/83/93/298288393.db2.gz PGCCKDIUFMRXOE-VZAMPYOESA-N 1 3 334.464 0.184 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCNC(=O)c2cnccn2)[C@@H](C)C1 ZINC000346786670 298343309 /nfs/dbraw/zinc/34/33/09/298343309.db2.gz BWMGEYSNBNLIJS-JKSUJKDBSA-N 1 3 349.479 0.933 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCNC(=O)c2cnccn2)[C@@H](C)C1 ZINC000346786670 298343312 /nfs/dbraw/zinc/34/33/12/298343312.db2.gz BWMGEYSNBNLIJS-JKSUJKDBSA-N 1 3 349.479 0.933 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000351010628 298746480 /nfs/dbraw/zinc/74/64/80/298746480.db2.gz RIJFPUFYWRQTJU-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO COC[C@@H](CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000353291559 299033318 /nfs/dbraw/zinc/03/33/18/299033318.db2.gz COQOXSWKDBFWEA-OAHLLOKOSA-N 1 3 342.484 0.242 20 0 ECADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000353423751 299046970 /nfs/dbraw/zinc/04/69/70/299046970.db2.gz DEXZWXGXWBXOAQ-WBVHZDCISA-N 1 3 338.496 0.679 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)c3ccnc(CN)c3)CC2)CC1 ZINC000361612394 300111085 /nfs/dbraw/zinc/11/10/85/300111085.db2.gz WQTUXLLZHBZHMF-UHFFFAOYSA-N 1 3 331.464 0.829 20 0 ECADHO CC[C@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CCN1CCOC ZINC000362563826 300199030 /nfs/dbraw/zinc/19/90/30/300199030.db2.gz DASXXABAMHHLDF-KBPBESRZSA-N 1 3 335.452 0.669 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000362713121 300212579 /nfs/dbraw/zinc/21/25/79/300212579.db2.gz ASQCNGMRLJAUIY-WMLDXEAASA-N 1 3 346.475 0.792 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000362713121 300212581 /nfs/dbraw/zinc/21/25/81/300212581.db2.gz ASQCNGMRLJAUIY-WMLDXEAASA-N 1 3 346.475 0.792 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000363257976 300257083 /nfs/dbraw/zinc/25/70/83/300257083.db2.gz CCALGAXDTSGURF-OKZBNKHCSA-N 1 3 334.508 0.957 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000363257976 300257084 /nfs/dbraw/zinc/25/70/84/300257084.db2.gz CCALGAXDTSGURF-OKZBNKHCSA-N 1 3 334.508 0.957 20 0 ECADHO CN(CCCN1C(=O)CNC1=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363479601 300268649 /nfs/dbraw/zinc/26/86/49/300268649.db2.gz IJNDGBMYCBPPJI-OAHLLOKOSA-N 1 3 337.468 0.029 20 0 ECADHO CN(CCCN1C(=O)CNC1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363479601 300268652 /nfs/dbraw/zinc/26/86/52/300268652.db2.gz IJNDGBMYCBPPJI-OAHLLOKOSA-N 1 3 337.468 0.029 20 0 ECADHO CCN(CC)CC(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000364360658 300349651 /nfs/dbraw/zinc/34/96/51/300349651.db2.gz MHPPGTOUIHDCFY-UHFFFAOYSA-N 1 3 326.485 0.195 20 0 ECADHO CCN(CC)CC(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000364360658 300349654 /nfs/dbraw/zinc/34/96/54/300349654.db2.gz MHPPGTOUIHDCFY-UHFFFAOYSA-N 1 3 326.485 0.195 20 0 ECADHO O=C(CCCC(=O)N1CC[NH+]2CCC1CC2)N1CCN2CCC1CC2 ZINC000364560632 300367933 /nfs/dbraw/zinc/36/79/33/300367933.db2.gz CNVGGVIKMOZDIO-UHFFFAOYSA-N 1 3 348.491 0.770 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000370271300 300811034 /nfs/dbraw/zinc/81/10/34/300811034.db2.gz SCRHWABAUNWBAG-BFYDXBDKSA-N 1 3 326.460 0.705 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(CC2CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000074655962 436132630 /nfs/dbraw/zinc/13/26/30/436132630.db2.gz UOOZIHZPCACIFZ-INIZCTEOSA-N 1 3 337.512 0.607 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C[C@@H](C)O1 ZINC000372882140 301033643 /nfs/dbraw/zinc/03/36/43/301033643.db2.gz BMTRKUYUAFCNBR-LUYZLQTOSA-N 1 3 325.453 0.057 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000377807136 301377464 /nfs/dbraw/zinc/37/74/64/301377464.db2.gz NTXLOWPZDCOKMY-WBVHZDCISA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000077777092 436252485 /nfs/dbraw/zinc/25/24/85/436252485.db2.gz IERCJCAQZLMASU-HNNXBMFYSA-N 1 3 336.484 0.932 20 0 ECADHO CC(C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000518118194 301718570 /nfs/dbraw/zinc/71/85/70/301718570.db2.gz NVNZOMJYLGGUCT-MRXNPFEDSA-N 1 3 340.512 0.833 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCC(C)CC1 ZINC000520377585 301770564 /nfs/dbraw/zinc/77/05/64/301770564.db2.gz XRLHWESNZCXRLY-QAPCUYQASA-N 1 3 336.480 0.435 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000547297150 302253761 /nfs/dbraw/zinc/25/37/61/302253761.db2.gz YHDVZVCVOFUULG-LJQANCHMSA-N 1 3 346.475 0.451 20 0 ECADHO C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000549882992 302342712 /nfs/dbraw/zinc/34/27/12/302342712.db2.gz YRVQISIWKMICQN-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000551884659 302368021 /nfs/dbraw/zinc/36/80/21/302368021.db2.gz QGRHJXNVADYIEJ-BZUAXINKSA-N 1 3 340.512 0.879 20 0 ECADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)[C@H]2CCC[C@@H]21 ZINC000552043893 302382509 /nfs/dbraw/zinc/38/25/09/302382509.db2.gz FQTLJWZMUQYHCY-ILXRZTDVSA-N 1 3 342.465 0.556 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2ccnc2)nn1 ZINC000552201383 302386937 /nfs/dbraw/zinc/38/69/37/302386937.db2.gz LNLZDOFISIPLCS-UHFFFAOYSA-N 1 3 331.424 0.228 20 0 ECADHO CC(C)N(C)CC(=O)NCCN(C(=O)C[N@H+](C)C(C)C)C1CC1 ZINC000066647959 436692175 /nfs/dbraw/zinc/69/21/75/436692175.db2.gz OMUMTBRSUMPZHW-UHFFFAOYSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)NCCN(C(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC000066647959 436692177 /nfs/dbraw/zinc/69/21/77/436692177.db2.gz OMUMTBRSUMPZHW-UHFFFAOYSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N(CCNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC000066647959 436692181 /nfs/dbraw/zinc/69/21/81/436692181.db2.gz OMUMTBRSUMPZHW-UHFFFAOYSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N(CCNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC000066647959 436692182 /nfs/dbraw/zinc/69/21/82/436692182.db2.gz OMUMTBRSUMPZHW-UHFFFAOYSA-N 1 3 326.485 0.774 20 0 ECADHO COC(=O)Cc1occ(C)c1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000555046024 302430831 /nfs/dbraw/zinc/43/08/31/302430831.db2.gz NVMFXTAJVMRWQZ-UHFFFAOYSA-N 1 3 339.436 0.869 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(F)c1 ZINC000555894907 302439023 /nfs/dbraw/zinc/43/90/23/302439023.db2.gz UBLZWADLNHXDPD-UHFFFAOYSA-N 1 3 338.427 0.394 20 0 ECADHO OCCN1CCN(CCCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121832669 436726592 /nfs/dbraw/zinc/72/65/92/436726592.db2.gz KYMVOFXYEMFECC-KURKYZTESA-N 1 3 337.508 0.924 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000154043857 436769340 /nfs/dbraw/zinc/76/93/40/436769340.db2.gz WKVGVUVTXAFGKY-INIZCTEOSA-N 1 3 325.501 0.750 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263133424 436952397 /nfs/dbraw/zinc/95/23/97/436952397.db2.gz BXEGELWLPDEZEV-YJBOKZPZSA-N 1 3 338.496 0.907 20 0 ECADHO O=C1CNC(=O)N1CCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173948942 437070570 /nfs/dbraw/zinc/07/05/70/437070570.db2.gz ZIEVXRLGSCRTNG-UHFFFAOYSA-N 1 3 338.452 0.505 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000175780475 437116889 /nfs/dbraw/zinc/11/68/89/437116889.db2.gz RMCXQTPBQRMOIW-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)NC(N)=O)CC2)C[C@@H](C)O1 ZINC000177502687 437187299 /nfs/dbraw/zinc/18/72/99/437187299.db2.gz WATCUVCYLJYZLN-ZIAGYGMSSA-N 1 3 340.468 0.783 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000332085589 437205211 /nfs/dbraw/zinc/20/52/11/437205211.db2.gz FSISODBLKXAXRQ-CAOSSQGBSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000310912225 437169072 /nfs/dbraw/zinc/16/90/72/437169072.db2.gz PLCLDEAHDJPJEJ-QGZVFWFLSA-N 1 3 344.459 0.447 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000310912225 437169076 /nfs/dbraw/zinc/16/90/76/437169076.db2.gz PLCLDEAHDJPJEJ-QGZVFWFLSA-N 1 3 344.459 0.447 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331852907 437169326 /nfs/dbraw/zinc/16/93/26/437169326.db2.gz OTQKSVIBNLVZQB-QLFBSQMISA-N 1 3 337.468 0.062 20 0 ECADHO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCCN2CCN(C)CC2)C1(C)C ZINC000323165104 437220786 /nfs/dbraw/zinc/22/07/86/437220786.db2.gz KMFDKQZBCJIJNS-WMLDXEAASA-N 1 3 326.485 0.273 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C[C@H]2N)cn1 ZINC000333615683 437277537 /nfs/dbraw/zinc/27/75/37/437277537.db2.gz SQAMDJLGNHCWMZ-JJXSEGSLSA-N 1 3 332.452 0.483 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C[C@H]2N)cn1 ZINC000333615683 437277539 /nfs/dbraw/zinc/27/75/39/437277539.db2.gz SQAMDJLGNHCWMZ-JJXSEGSLSA-N 1 3 332.452 0.483 20 0 ECADHO C[NH+](C)CCNC(=O)C1CCN(C[C@@](C)(O)C(F)(F)F)CC1 ZINC000337150646 437336659 /nfs/dbraw/zinc/33/66/59/437336659.db2.gz IZXDWCUUGZZRNX-CYBMUJFWSA-N 1 3 325.375 0.690 20 0 ECADHO CO[C@@H](C[NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000290253761 437473339 /nfs/dbraw/zinc/47/33/39/437473339.db2.gz WSRUXEBDPPGVCV-KRWDZBQOSA-N 1 3 334.464 0.284 20 0 ECADHO C[NH+](C)C1(CNC(=O)CNC[C@@H]2CCCO2)Cc2ccccc2C1 ZINC000269257539 437476297 /nfs/dbraw/zinc/47/62/97/437476297.db2.gz KQWDNPUWXAWPSW-KRWDZBQOSA-N 1 3 331.460 0.970 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000339667939 437487311 /nfs/dbraw/zinc/48/73/11/437487311.db2.gz LOGMOAOAEDAPOK-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000353993546 437501821 /nfs/dbraw/zinc/50/18/21/437501821.db2.gz UFYOHGWEPPZUOB-IRXDYDNUSA-N 1 3 348.491 0.626 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC)CC2)C1 ZINC000339672809 437490631 /nfs/dbraw/zinc/49/06/31/437490631.db2.gz VCCGTUNEMXYQHY-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC)CC2)C1 ZINC000339672809 437490639 /nfs/dbraw/zinc/49/06/39/437490639.db2.gz VCCGTUNEMXYQHY-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000360166215 437542872 /nfs/dbraw/zinc/54/28/72/437542872.db2.gz XQYJXBNJUBNRIP-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000343702889 437632016 /nfs/dbraw/zinc/63/20/16/437632016.db2.gz ZEQVWKMRFFJVQN-MRXNPFEDSA-N 1 3 337.512 0.821 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000343702889 437632018 /nfs/dbraw/zinc/63/20/18/437632018.db2.gz ZEQVWKMRFFJVQN-MRXNPFEDSA-N 1 3 337.512 0.821 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCN1C ZINC000343776174 437653348 /nfs/dbraw/zinc/65/33/48/437653348.db2.gz CUZDIZUAYNVUHT-ILXRZTDVSA-N 1 3 339.484 0.356 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCN1C ZINC000343776174 437653354 /nfs/dbraw/zinc/65/33/54/437653354.db2.gz CUZDIZUAYNVUHT-ILXRZTDVSA-N 1 3 339.484 0.356 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000340496681 437671836 /nfs/dbraw/zinc/67/18/36/437671836.db2.gz KXUSGZDHQOSLSZ-MRXNPFEDSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000340509125 437676719 /nfs/dbraw/zinc/67/67/19/437676719.db2.gz FIPMDKIFGVPOQJ-GJZGRUSLSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000340509125 437676723 /nfs/dbraw/zinc/67/67/23/437676723.db2.gz FIPMDKIFGVPOQJ-GJZGRUSLSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@H](CNC(=O)C(C)(C)CCC(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000362936739 437762431 /nfs/dbraw/zinc/76/24/31/437762431.db2.gz YAHGWMSCYXLOQU-ZIAGYGMSSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](CNC(=O)CCC(C)(C)C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000362936739 437762434 /nfs/dbraw/zinc/76/24/34/437762434.db2.gz YAHGWMSCYXLOQU-ZIAGYGMSSA-N 1 3 328.501 0.925 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CCN(C)CC1 ZINC000340952759 437762817 /nfs/dbraw/zinc/76/28/17/437762817.db2.gz BNMNADFQAZJSCD-ROUUACIJSA-N 1 3 349.523 0.914 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340817421 437742874 /nfs/dbraw/zinc/74/28/74/437742874.db2.gz IRAJHBCWDWRALT-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340817421 437742877 /nfs/dbraw/zinc/74/28/77/437742877.db2.gz IRAJHBCWDWRALT-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000364774984 437823607 /nfs/dbraw/zinc/82/36/07/437823607.db2.gz HJFZNQYQUUCANJ-BZUAXINKSA-N 1 3 336.480 0.578 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423759879 437825742 /nfs/dbraw/zinc/82/57/42/437825742.db2.gz PTVDHYYXXFLWJB-DZGCQCFKSA-N 1 3 325.453 0.766 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CC1=O ZINC000363302223 437779582 /nfs/dbraw/zinc/77/95/82/437779582.db2.gz GOBKYSXVMXEPHM-TWMKSMIVSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1=O ZINC000363302223 437779587 /nfs/dbraw/zinc/77/95/87/437779587.db2.gz GOBKYSXVMXEPHM-TWMKSMIVSA-N 1 3 348.491 0.339 20 0 ECADHO CCCN(C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423641531 437787973 /nfs/dbraw/zinc/78/79/73/437787973.db2.gz AVJYSNDKKKFYBM-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000415363943 437791024 /nfs/dbraw/zinc/79/10/24/437791024.db2.gz SKQUWGJYVBWMEY-UHFFFAOYSA-N 1 3 342.827 0.555 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])ccc1OCCN(C)C ZINC000415416590 437798709 /nfs/dbraw/zinc/79/87/09/437798709.db2.gz KTFZGNYJZQRYFC-ZDUSSCGKSA-N 1 3 336.436 0.680 20 0 ECADHO Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH3+])ccc1OCCN(C)C ZINC000415461780 437807560 /nfs/dbraw/zinc/80/75/60/437807560.db2.gz DYAKJVKSAWBAOR-UHFFFAOYSA-N 1 3 336.436 0.727 20 0 ECADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC1 ZINC000423716734 437810865 /nfs/dbraw/zinc/81/08/65/437810865.db2.gz IXVPHBZZVFTPCO-CQSZACIVSA-N 1 3 326.485 0.763 20 0 ECADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC1 ZINC000423716734 437810867 /nfs/dbraw/zinc/81/08/67/437810867.db2.gz IXVPHBZZVFTPCO-CQSZACIVSA-N 1 3 326.485 0.763 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423776082 437830628 /nfs/dbraw/zinc/83/06/28/437830628.db2.gz NHKSUDQXGGIPHN-HYVNUMGLSA-N 1 3 344.459 0.491 20 0 ECADHO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccc2c(c1)CNCCO2 ZINC000415969401 437882905 /nfs/dbraw/zinc/88/29/05/437882905.db2.gz GQPFTMRHOYPYEI-UHFFFAOYSA-N 1 3 348.447 0.994 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347567429 437909914 /nfs/dbraw/zinc/90/99/14/437909914.db2.gz YGNDRNKCDNFAAL-HNNXBMFYSA-N 1 3 330.432 0.607 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347567429 437909918 /nfs/dbraw/zinc/90/99/18/437909918.db2.gz YGNDRNKCDNFAAL-HNNXBMFYSA-N 1 3 330.432 0.607 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342031703 437948198 /nfs/dbraw/zinc/94/81/98/437948198.db2.gz GSWHVVRDZNFPMO-NUEKZKHPSA-N 1 3 336.480 0.576 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342031703 437948203 /nfs/dbraw/zinc/94/82/03/437948203.db2.gz GSWHVVRDZNFPMO-NUEKZKHPSA-N 1 3 336.480 0.576 20 0 ECADHO CN(CCN1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000372103836 438034265 /nfs/dbraw/zinc/03/42/65/438034265.db2.gz WXDGFYRTXXWNKY-LJQANCHMSA-N 1 3 348.466 0.964 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417360797 438042593 /nfs/dbraw/zinc/04/25/93/438042593.db2.gz BMWRXUOZIWXBGJ-INIZCTEOSA-N 1 3 346.479 0.597 20 0 ECADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417395174 438046492 /nfs/dbraw/zinc/04/64/92/438046492.db2.gz VWAOCNPDGQSPNL-RDJZCZTQSA-N 1 3 346.479 0.725 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417426418 438049720 /nfs/dbraw/zinc/04/97/20/438049720.db2.gz GONIHOVBVBQUQF-CABCVRRESA-N 1 3 341.500 0.602 20 0 ECADHO CN1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416821343 437995572 /nfs/dbraw/zinc/99/55/72/437995572.db2.gz DJTSDRODHAHWJB-GFCCVEGCSA-N 1 3 337.390 0.216 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN(C(C)(C)COC)CC2)CC1 ZINC000424996421 438004337 /nfs/dbraw/zinc/00/43/37/438004337.db2.gz DIANYWHTFFNDJD-UHFFFAOYSA-N 1 3 340.512 0.583 20 0 ECADHO CCC[C@H]1CNCCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000416979889 438010202 /nfs/dbraw/zinc/01/02/02/438010202.db2.gz SQNCKARGVJBMQQ-INIZCTEOSA-N 1 3 325.501 0.796 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000348760234 438093901 /nfs/dbraw/zinc/09/39/01/438093901.db2.gz FJXUYOYDMCGZEJ-OIISXLGYSA-N 1 3 348.491 0.838 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000348760234 438093905 /nfs/dbraw/zinc/09/39/05/438093905.db2.gz FJXUYOYDMCGZEJ-OIISXLGYSA-N 1 3 348.491 0.838 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000348759749 438093972 /nfs/dbraw/zinc/09/39/72/438093972.db2.gz CLGDGPSFYVNRRQ-GOEBONIOSA-N 1 3 336.480 0.696 20 0 ECADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417951943 438094793 /nfs/dbraw/zinc/09/47/93/438094793.db2.gz NSDGEUZBBNYGKC-ZFWWWQNUSA-N 1 3 335.452 0.819 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)C1=CCN(C)CC1 ZINC000348767594 438097893 /nfs/dbraw/zinc/09/78/93/438097893.db2.gz WZTLUMCIMBANEU-AWEZNQCLSA-N 1 3 336.480 0.696 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417743559 438072160 /nfs/dbraw/zinc/07/21/60/438072160.db2.gz CEADZGWHDUERFV-IRXDYDNUSA-N 1 3 339.528 0.949 20 0 ECADHO CN(C)C1(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000417738750 438073795 /nfs/dbraw/zinc/07/37/95/438073795.db2.gz PMBSOGMRELPOTB-CALCHBBNSA-N 1 3 328.460 0.946 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000417758546 438074928 /nfs/dbraw/zinc/07/49/28/438074928.db2.gz VHFXGKDPSXZJBH-OAGGEKHMSA-N 1 3 325.501 0.639 20 0 ECADHO CSC1(CNC(=O)NCCCN2CC[NH2+]CC2)CCN(C)CC1 ZINC000418204312 438120585 /nfs/dbraw/zinc/12/05/85/438120585.db2.gz XHKISODUTHKIGF-UHFFFAOYSA-N 1 3 343.541 0.408 20 0 ECADHO NC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000430893051 438127685 /nfs/dbraw/zinc/12/76/85/438127685.db2.gz HNQVNQASFRCPHN-HZPDHXFCSA-N 1 3 332.448 0.433 20 0 ECADHO NC[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000430893051 438127689 /nfs/dbraw/zinc/12/76/89/438127689.db2.gz HNQVNQASFRCPHN-HZPDHXFCSA-N 1 3 332.448 0.433 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC([C@H](C)[NH3+])CC2)C1 ZINC000430947856 438133786 /nfs/dbraw/zinc/13/37/86/438133786.db2.gz CLRDEFHIACINOO-DOTOQJQBSA-N 1 3 340.512 0.519 20 0 ECADHO C[C@@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)CC[C@H]1[NH3+] ZINC000430942713 438133804 /nfs/dbraw/zinc/13/38/04/438133804.db2.gz DMYSZBNHKAZMIE-HUUCEWRRSA-N 1 3 332.452 0.184 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418354679 438133818 /nfs/dbraw/zinc/13/38/18/438133818.db2.gz BBRVZARQDGACKQ-MRXNPFEDSA-N 1 3 325.501 0.798 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418307156 438129102 /nfs/dbraw/zinc/12/91/02/438129102.db2.gz ACWMDDFEIIJUJU-UHFFFAOYSA-N 1 3 325.501 0.927 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000430947857 438133251 /nfs/dbraw/zinc/13/32/51/438133251.db2.gz CLRDEFHIACINOO-NVXWUHKLSA-N 1 3 340.512 0.519 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418423647 438142187 /nfs/dbraw/zinc/14/21/87/438142187.db2.gz JNTLLUPXQYSSFR-OWCLPIDISA-N 1 3 325.501 0.829 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000373436742 438150229 /nfs/dbraw/zinc/15/02/29/438150229.db2.gz WRNKGQXKVBYBNK-GRDNDAEWSA-N 1 3 327.469 0.603 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000373436742 438150232 /nfs/dbraw/zinc/15/02/32/438150232.db2.gz WRNKGQXKVBYBNK-GRDNDAEWSA-N 1 3 327.469 0.603 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000349757792 438176466 /nfs/dbraw/zinc/17/64/66/438176466.db2.gz KUABSKQXRVEFBI-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000418849335 438216110 /nfs/dbraw/zinc/21/61/10/438216110.db2.gz MOYHOWKUOVKTNK-IRXDYDNUSA-N 1 3 346.475 0.343 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000418862979 438225203 /nfs/dbraw/zinc/22/52/03/438225203.db2.gz GPSHXLNSGCJBBJ-GOEBONIOSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000418863155 438225641 /nfs/dbraw/zinc/22/56/41/438225641.db2.gz IRINTMYFNMHPLW-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[C@@H]1[NH3+] ZINC000418876189 438233296 /nfs/dbraw/zinc/23/32/96/438233296.db2.gz LTKWNJMSIKMIMO-OIISXLGYSA-N 1 3 346.475 0.471 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433401585 438245899 /nfs/dbraw/zinc/24/58/99/438245899.db2.gz YTFABNDWUMCUBD-DZGCQCFKSA-N 1 3 332.452 0.949 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCN1C ZINC000418967024 438267446 /nfs/dbraw/zinc/26/74/46/438267446.db2.gz RFCQTEMNGSGYSZ-NVXWUHKLSA-N 1 3 346.475 0.963 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]12 ZINC000351497094 438270750 /nfs/dbraw/zinc/27/07/50/438270750.db2.gz SPCCIBQQLOFORP-OWCLPIDISA-N 1 3 344.463 0.184 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418981464 438271958 /nfs/dbraw/zinc/27/19/58/438271958.db2.gz GQQIVJGNYWZRHL-GDBMZVCRSA-N 1 3 332.448 0.651 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418981464 438271962 /nfs/dbraw/zinc/27/19/62/438271962.db2.gz GQQIVJGNYWZRHL-GDBMZVCRSA-N 1 3 332.448 0.651 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418992606 438276127 /nfs/dbraw/zinc/27/61/27/438276127.db2.gz JZBGTDWPLCQVHU-XJKSGUPXSA-N 1 3 332.448 0.621 20 0 ECADHO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000358661332 438276530 /nfs/dbraw/zinc/27/65/30/438276530.db2.gz JRWUMMWCJSDZOM-SJLPKXTDSA-N 1 3 332.448 0.627 20 0 ECADHO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000358661332 438276532 /nfs/dbraw/zinc/27/65/32/438276532.db2.gz JRWUMMWCJSDZOM-SJLPKXTDSA-N 1 3 332.448 0.627 20 0 ECADHO CN(CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000351524035 438278261 /nfs/dbraw/zinc/27/82/61/438278261.db2.gz PQPIBPGHUZPDTI-INIZCTEOSA-N 1 3 332.448 0.493 20 0 ECADHO CN(CCN)C(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419003500 438281959 /nfs/dbraw/zinc/28/19/59/438281959.db2.gz CSLJISQGBBQUNF-UHFFFAOYSA-N 1 3 332.448 0.706 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000419010128 438283296 /nfs/dbraw/zinc/28/32/96/438283296.db2.gz XFVBYTUMIUOMAX-AWEZNQCLSA-N 1 3 332.448 0.704 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000419006505 438283633 /nfs/dbraw/zinc/28/36/33/438283633.db2.gz WOHXLVDJEUVDML-SJORKVTESA-N 1 3 344.459 0.717 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419031375 438296668 /nfs/dbraw/zinc/29/66/68/438296668.db2.gz VIHLKDMRLDQRLB-QRJUGERDSA-N 1 3 338.496 0.665 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419022857 438291876 /nfs/dbraw/zinc/29/18/76/438291876.db2.gz IVYIVLRBRLQAMW-FXUDXRNXSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000419024020 438293733 /nfs/dbraw/zinc/29/37/33/438293733.db2.gz XAZDEIXZZQPRTP-OAHLLOKOSA-N 1 3 346.475 1.000 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419028922 438295040 /nfs/dbraw/zinc/29/50/40/438295040.db2.gz RAXCXSREMKNANN-QRJUGERDSA-N 1 3 338.496 0.855 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419027323 438295229 /nfs/dbraw/zinc/29/52/29/438295229.db2.gz OPCUAGRHYLJWNQ-KRXQYRFLSA-N 1 3 338.496 0.666 20 0 ECADHO NC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433485658 438254518 /nfs/dbraw/zinc/25/45/18/438254518.db2.gz IADBZUUFRDUVDY-HNNXBMFYSA-N 1 3 332.452 0.329 20 0 ECADHO NC[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433485658 438254524 /nfs/dbraw/zinc/25/45/24/438254524.db2.gz IADBZUUFRDUVDY-HNNXBMFYSA-N 1 3 332.452 0.329 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N(CC)CC ZINC000434708920 438319109 /nfs/dbraw/zinc/31/91/09/438319109.db2.gz WGZRXDUFTNROSR-CABCVRRESA-N 1 3 326.485 0.953 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)C1 ZINC000419123829 438332101 /nfs/dbraw/zinc/33/21/01/438332101.db2.gz QFSCULAPPOVXEC-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(C[C@H]1CSCCN1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000434885228 438332230 /nfs/dbraw/zinc/33/22/30/438332230.db2.gz HYYCRUNMHKFZPC-HIFRSBDPSA-N 1 3 327.494 0.699 20 0 ECADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000419129782 438338222 /nfs/dbraw/zinc/33/82/22/438338222.db2.gz AJJKQVALYDSPCI-INIZCTEOSA-N 1 3 338.496 0.714 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000419030876 438297327 /nfs/dbraw/zinc/29/73/27/438297327.db2.gz ULVVULPJPZDKDD-FZKCQIBNSA-N 1 3 338.496 0.537 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)NCC[NH3+])c1cccc(OC)c1 ZINC000419082438 438316105 /nfs/dbraw/zinc/31/61/05/438316105.db2.gz PRRCNMQQVDPXFM-OAHLLOKOSA-N 1 3 336.436 0.269 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000420143691 438390862 /nfs/dbraw/zinc/39/08/62/438390862.db2.gz KCTPVXGRWUPNFL-KFWWJZLASA-N 1 3 326.485 0.809 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000420143691 438390866 /nfs/dbraw/zinc/39/08/66/438390866.db2.gz KCTPVXGRWUPNFL-KFWWJZLASA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419143393 438347143 /nfs/dbraw/zinc/34/71/43/438347143.db2.gz DFMJHNDBQDCGIH-GJZGRUSLSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419146593 438349441 /nfs/dbraw/zinc/34/94/41/438349441.db2.gz BIOFNRWDAADTBZ-ZBFHGGJFSA-N 1 3 332.448 0.131 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419146593 438349445 /nfs/dbraw/zinc/34/94/45/438349445.db2.gz BIOFNRWDAADTBZ-ZBFHGGJFSA-N 1 3 332.448 0.131 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)N(C)C1CC1 ZINC000419595366 438362699 /nfs/dbraw/zinc/36/26/99/438362699.db2.gz WIIVFHXIKGCILF-CQSZACIVSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419693723 438366581 /nfs/dbraw/zinc/36/65/81/438366581.db2.gz ILRARWYHDSJOKP-JKSUJKDBSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)[C@@H]1C[NH3+] ZINC000419697417 438367078 /nfs/dbraw/zinc/36/70/78/438367078.db2.gz QOOUECJCIHPQNG-IJEWVQPXSA-N 1 3 336.480 0.705 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419694493 438367741 /nfs/dbraw/zinc/36/77/41/438367741.db2.gz JOXPKYRFJPQZCQ-XHSDSOJGSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000419759381 438372448 /nfs/dbraw/zinc/37/24/48/438372448.db2.gz GUCKZAYOWPRABE-XJKSGUPXSA-N 1 3 332.448 0.477 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419874613 438375289 /nfs/dbraw/zinc/37/52/89/438375289.db2.gz ZYWPTOLHVOBMMM-HZPDHXFCSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000419959391 438380391 /nfs/dbraw/zinc/38/03/91/438380391.db2.gz QXSYHOVXUNOCID-HOTGVXAUSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000419959391 438380396 /nfs/dbraw/zinc/38/03/96/438380396.db2.gz QXSYHOVXUNOCID-HOTGVXAUSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352096879 438380836 /nfs/dbraw/zinc/38/08/36/438380836.db2.gz LHGALEBBGIYBFQ-LZWOXQAQSA-N 1 3 326.485 0.570 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352096879 438380840 /nfs/dbraw/zinc/38/08/40/438380840.db2.gz LHGALEBBGIYBFQ-LZWOXQAQSA-N 1 3 326.485 0.570 20 0 ECADHO C[C@@H](O)COC(=O)CCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369185494 438433396 /nfs/dbraw/zinc/43/33/96/438433396.db2.gz VRAIMIYIAFKDPC-HUUCEWRRSA-N 1 3 327.469 0.401 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000359456293 438440497 /nfs/dbraw/zinc/44/04/97/438440497.db2.gz IQWTUFPZPNNROP-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420220176 438395626 /nfs/dbraw/zinc/39/56/26/438395626.db2.gz XYVFNOBKWQSNBH-OWCLPIDISA-N 1 3 338.496 0.537 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000359289691 438406208 /nfs/dbraw/zinc/40/62/08/438406208.db2.gz OCLPGRUEXYEUTJ-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000359289691 438406211 /nfs/dbraw/zinc/40/62/11/438406211.db2.gz OCLPGRUEXYEUTJ-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N1CCCNCC1)[N@H+](C)Cc1ccccc1 ZINC000379661157 438411490 /nfs/dbraw/zinc/41/14/90/438411490.db2.gz DLXOMYWHAUVOKL-MRXNPFEDSA-N 1 3 346.475 0.835 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N1CCCNCC1)[N@@H+](C)Cc1ccccc1 ZINC000379661157 438411493 /nfs/dbraw/zinc/41/14/93/438411493.db2.gz DLXOMYWHAUVOKL-MRXNPFEDSA-N 1 3 346.475 0.835 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000352729762 438467183 /nfs/dbraw/zinc/46/71/83/438467183.db2.gz WPHJANLOHCWLGN-KGLIPLIRSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000421506005 438489925 /nfs/dbraw/zinc/48/99/25/438489925.db2.gz CCPCHZKGNQEVRI-JKSUJKDBSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000421506005 438489929 /nfs/dbraw/zinc/48/99/29/438489929.db2.gz CCPCHZKGNQEVRI-JKSUJKDBSA-N 1 3 338.496 0.683 20 0 ECADHO CC(C)[C@@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCN1C ZINC000440975704 438573192 /nfs/dbraw/zinc/57/31/92/438573192.db2.gz GQGXWLDBUUJASR-INIZCTEOSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCN1C ZINC000440975704 438573194 /nfs/dbraw/zinc/57/31/94/438573194.db2.gz GQGXWLDBUUJASR-INIZCTEOSA-N 1 3 339.528 0.994 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000440976861 438573267 /nfs/dbraw/zinc/57/32/67/438573267.db2.gz IRLVZEMVGFTOIT-HZPDHXFCSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000440976861 438573269 /nfs/dbraw/zinc/57/32/69/438573269.db2.gz IRLVZEMVGFTOIT-HZPDHXFCSA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCC1 ZINC000410560345 438601161 /nfs/dbraw/zinc/60/11/61/438601161.db2.gz USTUAFIGAPUNMS-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[NH+]1CCCCC1 ZINC000422382627 438561709 /nfs/dbraw/zinc/56/17/09/438561709.db2.gz PDEPUXAJYVIGOU-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(NCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccn[nH]1 ZINC000423043029 438632178 /nfs/dbraw/zinc/63/21/78/438632178.db2.gz NAYJPMWHCIESHV-MAUKXSAKSA-N 1 3 341.415 0.985 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410720794 438641282 /nfs/dbraw/zinc/64/12/82/438641282.db2.gz UBQFVKLUKFBRMD-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@H](N2CCCC2)C1 ZINC000423156322 438643517 /nfs/dbraw/zinc/64/35/17/438643517.db2.gz SBRJAALSNFMWSZ-LPHOPBHVSA-N 1 3 348.491 0.675 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000410731434 438646789 /nfs/dbraw/zinc/64/67/89/438646789.db2.gz GRBUXINILFGBEG-BZUAXINKSA-N 1 3 338.496 0.870 20 0 ECADHO [NH3+]C[C@@H]1CCC[C@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422851824 438610800 /nfs/dbraw/zinc/61/08/00/438610800.db2.gz XJGPSQIVPOEXHP-JKSUJKDBSA-N 1 3 331.464 0.837 20 0 ECADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422851824 438610806 /nfs/dbraw/zinc/61/08/06/438610806.db2.gz XJGPSQIVPOEXHP-JKSUJKDBSA-N 1 3 331.464 0.837 20 0 ECADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000423374613 438667572 /nfs/dbraw/zinc/66/75/72/438667572.db2.gz CMCJTIBWQDJXGW-PBHICJAKSA-N 1 3 346.475 0.982 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423392183 438670737 /nfs/dbraw/zinc/67/07/37/438670737.db2.gz LHXREKJCSOBXHC-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423514965 438681673 /nfs/dbraw/zinc/68/16/73/438681673.db2.gz UUZPSVQEVIWRPX-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO CCO[C@H]1C[C@@](N)(C(=O)NCCC[NH+]2CCC(O)CC2)C1(C)C ZINC000444185019 438658955 /nfs/dbraw/zinc/65/89/55/438658955.db2.gz PVRGNLJUIPLBHI-WMLDXEAASA-N 1 3 327.469 0.482 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410799810 438659045 /nfs/dbraw/zinc/65/90/45/438659045.db2.gz GANPYHIRPFEDCJ-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414659228 438713519 /nfs/dbraw/zinc/71/35/19/438713519.db2.gz KUDJYGFQMFYQAW-UHFFFAOYSA-N 1 3 330.432 0.873 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000414804651 438718035 /nfs/dbraw/zinc/71/80/35/438718035.db2.gz OTNNOHOTTUWVDW-UHFFFAOYSA-N 1 3 348.447 0.905 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000414844184 438718838 /nfs/dbraw/zinc/71/88/38/438718838.db2.gz PEXUHLZBVMCXQN-UHFFFAOYSA-N 1 3 336.411 0.868 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000454583000 438720521 /nfs/dbraw/zinc/72/05/21/438720521.db2.gz MWNVHZXHOFLYFI-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000454583000 438720523 /nfs/dbraw/zinc/72/05/23/438720523.db2.gz MWNVHZXHOFLYFI-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000454582998 438721443 /nfs/dbraw/zinc/72/14/43/438721443.db2.gz MWNVHZXHOFLYFI-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000454582998 438721448 /nfs/dbraw/zinc/72/14/48/438721448.db2.gz MWNVHZXHOFLYFI-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)N1CCCCC1 ZINC000574788944 438722226 /nfs/dbraw/zinc/72/22/26/438722226.db2.gz HNMSMSAFCZESRG-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NC2CNC2)cc1 ZINC000575028346 438733518 /nfs/dbraw/zinc/73/35/18/438733518.db2.gz MARJIALVEGVLMJ-CQSZACIVSA-N 1 3 344.459 0.765 20 0 ECADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NC2CNC2)cc1 ZINC000575028346 438733520 /nfs/dbraw/zinc/73/35/20/438733520.db2.gz MARJIALVEGVLMJ-CQSZACIVSA-N 1 3 344.459 0.765 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000576036549 438765323 /nfs/dbraw/zinc/76/53/23/438765323.db2.gz WUHQDBMWBRSQSS-HOTGVXAUSA-N 1 3 338.496 0.907 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000576146538 438770310 /nfs/dbraw/zinc/77/03/10/438770310.db2.gz MPHASQKPTDBRST-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO Cc1ccccc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000555717442 438776328 /nfs/dbraw/zinc/77/63/28/438776328.db2.gz BLPIESJPRPALLC-UHFFFAOYSA-N 1 3 334.464 0.563 20 0 ECADHO CNS(=O)(=O)[C@H]1CCN(CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000558607511 438815433 /nfs/dbraw/zinc/81/54/33/438815433.db2.gz KOEMCSYQBKDFKM-HNNXBMFYSA-N 1 3 332.514 0.026 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000577119032 438816017 /nfs/dbraw/zinc/81/60/17/438816017.db2.gz JWJWVSYUZVYKHL-UHFFFAOYSA-N 1 3 338.496 0.907 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000514663871 438820547 /nfs/dbraw/zinc/82/05/47/438820547.db2.gz YLAVWDPHZFTGBC-CQSZACIVSA-N 1 3 326.485 0.729 20 0 ECADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000577220607 438826992 /nfs/dbraw/zinc/82/69/92/438826992.db2.gz KQQHBHNXVRTAJQ-IIAWOOMASA-N 1 3 327.494 0.826 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000562875659 438856424 /nfs/dbraw/zinc/85/64/24/438856424.db2.gz DMSRQVNSNQEOLI-KRWDZBQOSA-N 1 3 334.468 1.394 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000562875659 438856429 /nfs/dbraw/zinc/85/64/29/438856429.db2.gz DMSRQVNSNQEOLI-KRWDZBQOSA-N 1 3 334.468 1.394 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C[C@H]21 ZINC000577739809 438867747 /nfs/dbraw/zinc/86/77/47/438867747.db2.gz QJEXJTHXNYZMBG-YYIAUSFCSA-N 1 3 348.491 0.659 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C[C@@H]21 ZINC000577739808 438868136 /nfs/dbraw/zinc/86/81/36/438868136.db2.gz QJEXJTHXNYZMBG-WCXIOVBPSA-N 1 3 348.491 0.659 20 0 ECADHO C[NH+]1CCC(CCNC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000458288062 438869711 /nfs/dbraw/zinc/86/97/11/438869711.db2.gz PUVPIQRHVOWYMO-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO COC(=O)Cc1occc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000589433147 438872491 /nfs/dbraw/zinc/87/24/91/438872491.db2.gz BBUHJOCYAQRCGF-UHFFFAOYSA-N 1 3 325.409 0.561 20 0 ECADHO CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)CCCN2CCN(C)CC2)C1(C)C ZINC000564930177 438891281 /nfs/dbraw/zinc/89/12/81/438891281.db2.gz IHKRXAUKYCZDMX-YJBOKZPZSA-N 1 3 340.512 0.615 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000565047699 438909622 /nfs/dbraw/zinc/90/96/22/438909622.db2.gz VYRGWAWHKGEIGE-QYZOEREBSA-N 1 3 333.476 0.571 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000565256046 438938496 /nfs/dbraw/zinc/93/84/96/438938496.db2.gz YQOBSEBPGCOIMF-WBVHZDCISA-N 1 3 346.475 0.963 20 0 ECADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516939187 438938683 /nfs/dbraw/zinc/93/86/83/438938683.db2.gz OZYABBDXPCCUIA-IHRRRGAJSA-N 1 3 325.457 0.060 20 0 ECADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516939187 438938686 /nfs/dbraw/zinc/93/86/86/438938686.db2.gz OZYABBDXPCCUIA-IHRRRGAJSA-N 1 3 325.457 0.060 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)N[C@H](C)C2=O)[C@@H](C)C1 ZINC000459412737 438967573 /nfs/dbraw/zinc/96/75/73/438967573.db2.gz RPHHANNCBZTRGV-ZNMIVQPWSA-N 1 3 340.468 0.653 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)N[C@H](C)C2=O)[C@@H](C)C1 ZINC000459412737 438967577 /nfs/dbraw/zinc/96/75/77/438967577.db2.gz RPHHANNCBZTRGV-ZNMIVQPWSA-N 1 3 340.468 0.653 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000566058473 439001485 /nfs/dbraw/zinc/00/14/85/439001485.db2.gz OZYTUFVQEJRKCK-CABCVRRESA-N 1 3 325.501 0.700 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000460005817 439054492 /nfs/dbraw/zinc/05/44/92/439054492.db2.gz BTUGRDIIPPUFMS-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CCN(CCO)CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000580091771 439063265 /nfs/dbraw/zinc/06/32/65/439063265.db2.gz LYHHOCUYIFVLQY-HNNXBMFYSA-N 1 3 329.510 0.634 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC000566212549 439024431 /nfs/dbraw/zinc/02/44/31/439024431.db2.gz GCAOPGXCDHDISP-WBVHZDCISA-N 1 3 340.431 0.787 20 0 ECADHO C[C@@H]1CCN(C)CCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000579689816 439028686 /nfs/dbraw/zinc/02/86/86/439028686.db2.gz DTOKZAAUGFWVCX-KLAILNCOSA-N 1 3 337.512 0.938 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCOC[C@@H]2CCCO2)C1)[C@@H]1CCC[NH2+]1 ZINC000566244346 439030901 /nfs/dbraw/zinc/03/09/01/439030901.db2.gz TYFBHAPWIPLKKM-ULQDDVLXSA-N 1 3 339.480 0.762 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1(C)C ZINC000566842037 439093277 /nfs/dbraw/zinc/09/32/77/439093277.db2.gz HIHDPXJJVAXEOC-HNNXBMFYSA-N 1 3 340.512 0.833 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C[C@@H]12 ZINC000580541164 439102384 /nfs/dbraw/zinc/10/23/84/439102384.db2.gz FTTYXACMJHRNGX-QKPAOTATSA-N 1 3 334.464 0.269 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000521010199 439102929 /nfs/dbraw/zinc/10/29/29/439102929.db2.gz QPLPLZOUDOTEDX-OWCLPIDISA-N 1 3 336.480 0.433 20 0 ECADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000520989998 439103364 /nfs/dbraw/zinc/10/33/64/439103364.db2.gz OVUUESVHEHGROC-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000521986745 439136974 /nfs/dbraw/zinc/13/69/74/439136974.db2.gz SKHNFPNPDPMNFM-CYBMUJFWSA-N 1 3 347.454 0.699 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000580847101 439139970 /nfs/dbraw/zinc/13/99/70/439139970.db2.gz NZCZLPMOCXXOOG-CVEARBPZSA-N 1 3 336.480 0.671 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000567499433 439148247 /nfs/dbraw/zinc/14/82/47/439148247.db2.gz ZQGGZDFXVBZWBW-DOTOQJQBSA-N 1 3 326.485 0.002 20 0 ECADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000567522196 439150859 /nfs/dbraw/zinc/15/08/59/439150859.db2.gz IOVAWOKESPPODT-KFWWJZLASA-N 1 3 337.468 0.204 20 0 ECADHO CN(Cc1ccccc1)C[C@H](O)Cn1cc(CSCC[NH3+])nn1 ZINC000603266813 439224019 /nfs/dbraw/zinc/22/40/19/439224019.db2.gz ZVYZNKVAGSSBFR-INIZCTEOSA-N 1 3 335.477 0.963 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000567880629 439191115 /nfs/dbraw/zinc/19/11/15/439191115.db2.gz KLUVNZGRRPWZRD-RHSMWYFYSA-N 1 3 346.475 0.918 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000567880629 439191119 /nfs/dbraw/zinc/19/11/19/439191119.db2.gz KLUVNZGRRPWZRD-RHSMWYFYSA-N 1 3 346.475 0.918 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000581304552 439195189 /nfs/dbraw/zinc/19/51/89/439195189.db2.gz LLHVTMJDOWNKDI-JYJNAYRXSA-N 1 3 334.464 0.284 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000567917282 439195961 /nfs/dbraw/zinc/19/59/61/439195961.db2.gz DMMOYGIMURSSFN-KGLIPLIRSA-N 1 3 339.484 0.369 20 0 ECADHO CC(=O)N1CCC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000525993841 439232576 /nfs/dbraw/zinc/23/25/76/439232576.db2.gz DQOVBVIENNBQLU-MRXNPFEDSA-N 1 3 341.500 0.380 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CCSC1 ZINC000592957161 439321320 /nfs/dbraw/zinc/32/13/20/439321320.db2.gz LISFIJXONJILBB-WBMJQRKESA-N 1 3 337.493 0.886 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000592964423 439322696 /nfs/dbraw/zinc/32/26/96/439322696.db2.gz GPMYGJBYEMPORJ-CABCVRRESA-N 1 3 344.450 0.858 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000569344458 439324810 /nfs/dbraw/zinc/32/48/10/439324810.db2.gz MCPMGLFVAJRWAA-NVXWUHKLSA-N 1 3 348.495 0.563 20 0 ECADHO C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CCN1 ZINC000582170945 439298508 /nfs/dbraw/zinc/29/85/08/439298508.db2.gz RDBJVFOYIXSKIN-MRXNPFEDSA-N 1 3 337.512 0.940 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000569573835 439346320 /nfs/dbraw/zinc/34/63/20/439346320.db2.gz BUAOAPDSPZPCRR-OCCSQVGLSA-N 1 3 348.447 0.891 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000582559156 439352838 /nfs/dbraw/zinc/35/28/38/439352838.db2.gz JMZHMZFNWONCJS-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000582559156 439352842 /nfs/dbraw/zinc/35/28/42/439352842.db2.gz JMZHMZFNWONCJS-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000582606329 439357694 /nfs/dbraw/zinc/35/76/94/439357694.db2.gz OAMSBESKPIFCIA-QWHCGFSZSA-N 1 3 336.436 0.808 20 0 ECADHO C[N@H+](C[C@@H](O)CNC[C@H](CO)Cc1ccncc1Cl)C1CC1 ZINC000570213012 439402856 /nfs/dbraw/zinc/40/28/56/439402856.db2.gz TUAZSXNYBIHNLH-DOMZBBRYSA-N 1 3 327.856 0.931 20 0 ECADHO C[N@@H+](C[C@@H](O)CNC[C@H](CO)Cc1ccncc1Cl)C1CC1 ZINC000570213012 439402861 /nfs/dbraw/zinc/40/28/61/439402861.db2.gz TUAZSXNYBIHNLH-DOMZBBRYSA-N 1 3 327.856 0.931 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000570804920 439450528 /nfs/dbraw/zinc/45/05/28/439450528.db2.gz HIKZFHKIVSCUDO-IBGZPJMESA-N 1 3 330.476 0.671 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)NC[C@H]2CNCCO2)CC[C@H]1c1ccc(F)cc1 ZINC000583014521 439408709 /nfs/dbraw/zinc/40/87/09/439408709.db2.gz FQZHWTYPTFAQFM-OWCLPIDISA-N 1 3 336.411 0.640 20 0 ECADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CCN1Cc1ccccc1 ZINC000583430517 439463055 /nfs/dbraw/zinc/46/30/55/439463055.db2.gz DVMKPHNHJJYIMT-KBAYOESNSA-N 1 3 345.491 0.852 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)/C=C\C[NH+](C)C)c1 ZINC000491874357 439465240 /nfs/dbraw/zinc/46/52/40/439465240.db2.gz WAFJLDIZGGAJQG-TWGQIWQCSA-N 1 3 332.448 0.712 20 0 ECADHO O=C(C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000583558698 439479481 /nfs/dbraw/zinc/47/94/81/439479481.db2.gz PXYJGNBLLVTAPR-CRAIPNDOSA-N 1 3 334.464 0.285 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000571220214 439484085 /nfs/dbraw/zinc/48/40/85/439484085.db2.gz OAICKTFOVSLXBE-MQVJKMGUSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000571220214 439484091 /nfs/dbraw/zinc/48/40/91/439484091.db2.gz OAICKTFOVSLXBE-MQVJKMGUSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000583705095 439503293 /nfs/dbraw/zinc/50/32/93/439503293.db2.gz CZPQKCZYWAFIMA-HRCADAONSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC[N@@H+]1C ZINC000608704444 439538514 /nfs/dbraw/zinc/53/85/14/439538514.db2.gz UHLOADFEUYYUNP-IKGGRYGDSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC[N@H+]1C ZINC000608704444 439538518 /nfs/dbraw/zinc/53/85/18/439538518.db2.gz UHLOADFEUYYUNP-IKGGRYGDSA-N 1 3 337.512 0.891 20 0 ECADHO CC[NH2+]CCCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000572015540 439550667 /nfs/dbraw/zinc/55/06/67/439550667.db2.gz UBJICMSVFIKGPP-UHFFFAOYSA-N 1 3 327.473 0.182 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1CCCCC1 ZINC000572587676 439593068 /nfs/dbraw/zinc/59/30/68/439593068.db2.gz GIGAUZVBTXSTRX-CVEARBPZSA-N 1 3 336.480 0.707 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000572630229 439599955 /nfs/dbraw/zinc/59/99/55/439599955.db2.gz ISPWGXDJDWKRQR-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000572630229 439599960 /nfs/dbraw/zinc/59/99/60/439599960.db2.gz ISPWGXDJDWKRQR-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000612485883 439717398 /nfs/dbraw/zinc/71/73/98/439717398.db2.gz OLZVTIUSGAUAGC-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO COCCN(C)C[C@@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574701305 439722215 /nfs/dbraw/zinc/72/22/15/439722215.db2.gz XQJVNWRPGXWNRB-HSALFYBXSA-N 1 3 347.503 0.989 20 0 ECADHO COCCN(C)C[C@@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574701305 439722216 /nfs/dbraw/zinc/72/22/16/439722216.db2.gz XQJVNWRPGXWNRB-HSALFYBXSA-N 1 3 347.503 0.989 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000573942720 439675489 /nfs/dbraw/zinc/67/54/89/439675489.db2.gz MTVACQOKXKSUCI-UKRRQHHQSA-N 1 3 330.432 0.244 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000573942720 439675490 /nfs/dbraw/zinc/67/54/90/439675490.db2.gz MTVACQOKXKSUCI-UKRRQHHQSA-N 1 3 330.432 0.244 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000595263604 439684661 /nfs/dbraw/zinc/68/46/61/439684661.db2.gz HJKZCWCNBKOMOW-LSDHHAIUSA-N 1 3 337.468 0.204 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923448 439746128 /nfs/dbraw/zinc/74/61/28/439746128.db2.gz IIACTNZRBAMFTP-KGLIPLIRSA-N 1 3 349.483 0.446 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612965508 439747589 /nfs/dbraw/zinc/74/75/89/439747589.db2.gz YZKDJPRQSXGXQX-INIZCTEOSA-N 1 3 337.512 0.845 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)C1 ZINC000612548353 439727892 /nfs/dbraw/zinc/72/78/92/439727892.db2.gz MISKTUCYYXHQRM-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)C1 ZINC000612548353 439727894 /nfs/dbraw/zinc/72/78/94/439727894.db2.gz MISKTUCYYXHQRM-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000611838361 439732283 /nfs/dbraw/zinc/73/22/83/439732283.db2.gz JTAFJZSUTQLSCX-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000611838361 439732285 /nfs/dbraw/zinc/73/22/85/439732285.db2.gz JTAFJZSUTQLSCX-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000611838361 439732287 /nfs/dbraw/zinc/73/22/87/439732287.db2.gz JTAFJZSUTQLSCX-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000611957596 439738992 /nfs/dbraw/zinc/73/89/92/439738992.db2.gz WXBAEHNPMKJHNX-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000611957596 439738993 /nfs/dbraw/zinc/73/89/93/439738993.db2.gz WXBAEHNPMKJHNX-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000612877151 439744191 /nfs/dbraw/zinc/74/41/91/439744191.db2.gz VWBZFNLWFGWBCI-GOSISDBHSA-N 1 3 347.463 0.529 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000662747911 439869431 /nfs/dbraw/zinc/86/94/31/439869431.db2.gz GIUQWLMNPZKDGD-ROUUACIJSA-N 1 3 347.459 0.623 20 0 ECADHO C[C@H](CNC(=O)c1cccc2c1CC[NH2+]C2)CN1CCN(C)CC1 ZINC000662756470 439879557 /nfs/dbraw/zinc/87/95/57/439879557.db2.gz IABPNVKNTPASHP-OAHLLOKOSA-N 1 3 330.476 0.946 20 0 ECADHO C[C@@H](CC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000662659167 439837691 /nfs/dbraw/zinc/83/76/91/439837691.db2.gz ISMALFQUJWCJHR-GJZGRUSLSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@@H](CC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000662659169 439838124 /nfs/dbraw/zinc/83/81/24/439838124.db2.gz ISMALFQUJWCJHR-LSDHHAIUSA-N 1 3 326.485 0.491 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000652427200 439843340 /nfs/dbraw/zinc/84/33/40/439843340.db2.gz GURBKGMCOOKMFL-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000662683976 439846823 /nfs/dbraw/zinc/84/68/23/439846823.db2.gz UZAMSHQOGQAHET-DLBZAZTESA-N 1 3 333.432 0.946 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000652700375 439929153 /nfs/dbraw/zinc/92/91/53/439929153.db2.gz QFMNFEMZCWWPGX-KGLIPLIRSA-N 1 3 342.484 0.310 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000652700375 439929159 /nfs/dbraw/zinc/92/91/59/439929159.db2.gz QFMNFEMZCWWPGX-KGLIPLIRSA-N 1 3 342.484 0.310 20 0 ECADHO CC(C)OC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899410 439931871 /nfs/dbraw/zinc/93/18/71/439931871.db2.gz CPGMFNDPBMDEQY-CVEARBPZSA-N 1 3 326.485 0.366 20 0 ECADHO CC(C)OC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899410 439931881 /nfs/dbraw/zinc/93/18/81/439931881.db2.gz CPGMFNDPBMDEQY-CVEARBPZSA-N 1 3 326.485 0.366 20 0 ECADHO CC(C)OC[C@H](N)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899410 439931886 /nfs/dbraw/zinc/93/18/86/439931886.db2.gz CPGMFNDPBMDEQY-CVEARBPZSA-N 1 3 326.485 0.366 20 0 ECADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626804005 439886236 /nfs/dbraw/zinc/88/62/36/439886236.db2.gz QELBJGCKVTVELA-ZDUSSCGKSA-N 1 3 346.431 0.517 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1c1ncccn1 ZINC000617504175 439902547 /nfs/dbraw/zinc/90/25/47/439902547.db2.gz JCBSNFSJXQXUBI-HOTGVXAUSA-N 1 3 348.495 0.834 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1c1ncccn1 ZINC000617504175 439902552 /nfs/dbraw/zinc/90/25/52/439902552.db2.gz JCBSNFSJXQXUBI-HOTGVXAUSA-N 1 3 348.495 0.834 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1c2ccccc2CC1=O ZINC000617507785 439903253 /nfs/dbraw/zinc/90/32/53/439903253.db2.gz JCWYCSWGKGXFOV-HNNXBMFYSA-N 1 3 346.475 0.964 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1c2ccccc2CC1=O ZINC000617507785 439903259 /nfs/dbraw/zinc/90/32/59/439903259.db2.gz JCWYCSWGKGXFOV-HNNXBMFYSA-N 1 3 346.475 0.964 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000626852255 439915052 /nfs/dbraw/zinc/91/50/52/439915052.db2.gz AHDFXNLNKJDSAU-UHFFFAOYSA-N 1 3 336.436 0.681 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662857738 439915516 /nfs/dbraw/zinc/91/55/16/439915516.db2.gz BJJHANNEJHQBQL-IRXDYDNUSA-N 1 3 332.448 0.774 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662858660 439918357 /nfs/dbraw/zinc/91/83/57/439918357.db2.gz HEDUOXFNESIYJO-LNLFQRSKSA-N 1 3 345.443 0.105 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642330597 439972985 /nfs/dbraw/zinc/97/29/85/439972985.db2.gz ZZXJRZNWAOSGNU-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[C@H](CN)C1 ZINC000662983666 439978746 /nfs/dbraw/zinc/97/87/46/439978746.db2.gz KYANQWMJEFVSBE-WCVJEAGWSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[C@H](CN)C1 ZINC000662983666 439978751 /nfs/dbraw/zinc/97/87/51/439978751.db2.gz KYANQWMJEFVSBE-WCVJEAGWSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000642439357 439982117 /nfs/dbraw/zinc/98/21/17/439982117.db2.gz CJGCQZXHAJMKGF-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000642439758 439982163 /nfs/dbraw/zinc/98/21/63/439982163.db2.gz OHSWTVTYZWWYOT-QKPAOTATSA-N 1 3 336.480 0.481 20 0 ECADHO CN(C(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000641999473 439939964 /nfs/dbraw/zinc/93/99/64/439939964.db2.gz MURKKXSYMHOETL-QZTJIDSGSA-N 1 3 345.491 0.806 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000631887896 439959481 /nfs/dbraw/zinc/95/94/81/439959481.db2.gz RJROYQRFPRANKA-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000631887896 439959487 /nfs/dbraw/zinc/95/94/87/439959487.db2.gz RJROYQRFPRANKA-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000642253849 439960668 /nfs/dbraw/zinc/96/06/68/439960668.db2.gz LHCUNHHXPDHLFS-NVXWUHKLSA-N 1 3 346.475 0.868 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000642247035 439961851 /nfs/dbraw/zinc/96/18/51/439961851.db2.gz DTSQPYYWROBQMC-MRXNPFEDSA-N 1 3 332.448 0.651 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)N(C)Cc1ccccc1 ZINC000642262651 439964880 /nfs/dbraw/zinc/96/48/80/439964880.db2.gz ZBLSDZNXIHEICG-OAHLLOKOSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCC(C)CC1 ZINC000642644499 439996562 /nfs/dbraw/zinc/99/65/62/439996562.db2.gz UERIPYNVDSDZRN-BZUAXINKSA-N 1 3 336.480 0.433 20 0 ECADHO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000642912493 440062697 /nfs/dbraw/zinc/06/26/97/440062697.db2.gz QHKCZUIILKDTEG-LSDHHAIUSA-N 1 3 336.480 0.849 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653113746 440069073 /nfs/dbraw/zinc/06/90/73/440069073.db2.gz NECVQIPTTOVUIT-INIZCTEOSA-N 1 3 346.475 0.984 20 0 ECADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000643081327 440087208 /nfs/dbraw/zinc/08/72/08/440087208.db2.gz DULVNLVJIBQQOR-DOTOQJQBSA-N 1 3 345.447 0.714 20 0 ECADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642789423 440041623 /nfs/dbraw/zinc/04/16/23/440041623.db2.gz BPFSVEGRJFSALS-OAGGEKHMSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C[NH2+]1 ZINC000627208852 440045554 /nfs/dbraw/zinc/04/55/54/440045554.db2.gz ZNPTZZUKGNWUQZ-HUUCEWRRSA-N 1 3 339.484 0.418 20 0 ECADHO C[C@H]1C[C@H](NS(=O)(=O)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000632029778 440048453 /nfs/dbraw/zinc/04/84/53/440048453.db2.gz JIOMWRJVYXPRBB-LSDHHAIUSA-N 1 3 332.514 0.026 20 0 ECADHO C[C@H]1C[C@H](NS(=O)(=O)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC000632029778 440048458 /nfs/dbraw/zinc/04/84/58/440048458.db2.gz JIOMWRJVYXPRBB-LSDHHAIUSA-N 1 3 332.514 0.026 20 0 ECADHO COc1cnccc1N1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627218037 440048653 /nfs/dbraw/zinc/04/86/53/440048653.db2.gz ZXNFEIPTTKYLLJ-UHFFFAOYSA-N 1 3 337.424 0.287 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000642898394 440051793 /nfs/dbraw/zinc/05/17/93/440051793.db2.gz VRQUOTFSUWYYIE-IRXDYDNUSA-N 1 3 344.459 0.573 20 0 ECADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627335240 440129638 /nfs/dbraw/zinc/12/96/38/440129638.db2.gz PCXRAQIWXIDPCW-XJKSGUPXSA-N 1 3 345.447 0.201 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000627335313 440130450 /nfs/dbraw/zinc/13/04/50/440130450.db2.gz RMUKYRUXLOXYRX-CQSZACIVSA-N 1 3 347.463 0.530 20 0 ECADHO C[C@@H](CN1CCOCC1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663639879 440139363 /nfs/dbraw/zinc/13/93/63/440139363.db2.gz YXXKXKZZNTVYDE-HOTGVXAUSA-N 1 3 343.516 0.278 20 0 ECADHO C[C@@H](CN1CCOCC1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663639879 440139368 /nfs/dbraw/zinc/13/93/68/440139368.db2.gz YXXKXKZZNTVYDE-HOTGVXAUSA-N 1 3 343.516 0.278 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000653376874 440140078 /nfs/dbraw/zinc/14/00/78/440140078.db2.gz LSJFMJILRBDZSE-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000653376874 440140082 /nfs/dbraw/zinc/14/00/82/440140082.db2.gz LSJFMJILRBDZSE-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CCN(C(=O)NC[C@H](C(C)C)N1CCN(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663561400 440102349 /nfs/dbraw/zinc/10/23/49/440102349.db2.gz UCLQSOYMDUEDAU-IAGOWNOFSA-N 1 3 339.528 0.994 20 0 ECADHO CCN(C(=O)NC[C@H](C(C)C)N1CCN(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663561400 440102353 /nfs/dbraw/zinc/10/23/53/440102353.db2.gz UCLQSOYMDUEDAU-IAGOWNOFSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCCS1(=O)=O ZINC000643468749 440175108 /nfs/dbraw/zinc/17/51/08/440175108.db2.gz RHUWCHJRSUGTOX-GDBMZVCRSA-N 1 3 325.478 0.960 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000643530072 440200961 /nfs/dbraw/zinc/20/09/61/440200961.db2.gz IJUNSUWTXDEGNB-ARFHVFGLSA-N 1 3 348.491 0.659 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1CN1CCCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643494649 440186753 /nfs/dbraw/zinc/18/67/53/440186753.db2.gz SOUXMZMXTNYBFD-QFBILLFUSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643503482 440188910 /nfs/dbraw/zinc/18/89/10/440188910.db2.gz FDQKICKNGUSPRH-HUUCEWRRSA-N 1 3 336.480 0.659 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643500550 440189430 /nfs/dbraw/zinc/18/94/30/440189430.db2.gz ASQSHGZKIWXQSI-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC1([NH3+])CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CC1 ZINC000643504784 440190572 /nfs/dbraw/zinc/19/05/72/440190572.db2.gz PMZQKQYXBZPJQR-OAHLLOKOSA-N 1 3 336.480 0.803 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000643513410 440192682 /nfs/dbraw/zinc/19/26/82/440192682.db2.gz QDJXPXAGXXAQBQ-CVEARBPZSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643516668 440194346 /nfs/dbraw/zinc/19/43/46/440194346.db2.gz HPBWXDBJKNFVMV-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627428847 440197667 /nfs/dbraw/zinc/19/76/67/440197667.db2.gz PXKDPWJONYBXLL-LSDHHAIUSA-N 1 3 336.480 0.624 20 0 ECADHO CCN(C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(CC)C1 ZINC000658829889 440146343 /nfs/dbraw/zinc/14/63/43/440146343.db2.gz NWRHCZZQELUXIM-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(CC)C1 ZINC000658829889 440146350 /nfs/dbraw/zinc/14/63/50/440146350.db2.gz NWRHCZZQELUXIM-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000627445427 440209538 /nfs/dbraw/zinc/20/95/38/440209538.db2.gz MNALXPUUKRWYJU-LSDHHAIUSA-N 1 3 334.464 0.474 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCC1 ZINC000643552852 440213420 /nfs/dbraw/zinc/21/34/20/440213420.db2.gz RPGVOSGDNNCFAV-ZNMIVQPWSA-N 1 3 336.480 0.515 20 0 ECADHO NC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000643591077 440214114 /nfs/dbraw/zinc/21/41/14/440214114.db2.gz DCOGSHWLSFJHPM-KBMXLJTQSA-N 1 3 334.464 0.411 20 0 ECADHO NC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000643591077 440214120 /nfs/dbraw/zinc/21/41/20/440214120.db2.gz DCOGSHWLSFJHPM-KBMXLJTQSA-N 1 3 334.464 0.411 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)C2)C1 ZINC000643590191 440216084 /nfs/dbraw/zinc/21/60/84/440216084.db2.gz BZVMNNYAJOFOOZ-MPGHIAIKSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643592631 440217608 /nfs/dbraw/zinc/21/76/08/440217608.db2.gz QWOOKODQAUCARR-GDBMZVCRSA-N 1 3 332.448 0.525 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000637263517 440219300 /nfs/dbraw/zinc/21/93/00/440219300.db2.gz HFINOGJMAFJCND-MELADBBJSA-N 1 3 327.473 0.164 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000637263517 440219303 /nfs/dbraw/zinc/21/93/03/440219303.db2.gz HFINOGJMAFJCND-MELADBBJSA-N 1 3 327.473 0.164 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC000637264038 440220081 /nfs/dbraw/zinc/22/00/81/440220081.db2.gz JOSUYGPTWMXOOC-ZNMIVQPWSA-N 1 3 330.473 0.098 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC000637264038 440220087 /nfs/dbraw/zinc/22/00/87/440220087.db2.gz JOSUYGPTWMXOOC-ZNMIVQPWSA-N 1 3 330.473 0.098 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[NH2+]1 ZINC000627481886 440233761 /nfs/dbraw/zinc/23/37/61/440233761.db2.gz JIMJPKRJOMOWBU-KBPBESRZSA-N 1 3 336.436 0.427 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627442501 440207202 /nfs/dbraw/zinc/20/72/02/440207202.db2.gz LHTVLCVVRXYAIT-CQSZACIVSA-N 1 3 334.464 0.474 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000637367072 440240086 /nfs/dbraw/zinc/24/00/86/440240086.db2.gz IJCGDCKNLUNJOZ-YESZJQIVSA-N 1 3 336.480 0.854 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000637367072 440240091 /nfs/dbraw/zinc/24/00/91/440240091.db2.gz IJCGDCKNLUNJOZ-YESZJQIVSA-N 1 3 336.480 0.854 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)C2)nn1 ZINC000648177647 440252994 /nfs/dbraw/zinc/25/29/94/440252994.db2.gz LGNQLKLLOLTNJK-RYUDHWBXSA-N 1 3 328.367 0.145 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659102060 440251179 /nfs/dbraw/zinc/25/11/79/440251179.db2.gz PVYPPLORZCBSMX-UHFFFAOYSA-N 1 3 346.431 0.645 20 0 ECADHO C[NH+]1CCC(n2ccc(NC(=O)N3CCN4C[C@H](O)C[C@H]4C3)n2)CC1 ZINC000654052756 440276865 /nfs/dbraw/zinc/27/68/65/440276865.db2.gz AZQVSDNQUFRARK-LSDHHAIUSA-N 1 3 348.451 0.433 20 0 ECADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654399866 440309960 /nfs/dbraw/zinc/30/99/60/440309960.db2.gz UEKSPEQHJFHQAJ-UHDSXZAQSA-N 1 3 338.496 0.813 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000659553650 440362429 /nfs/dbraw/zinc/36/24/29/440362429.db2.gz BTZVUMQEVAFTSX-YALNPMBYSA-N 1 3 336.480 0.927 20 0 ECADHO C[NH+](C)CCOCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000664731430 440365855 /nfs/dbraw/zinc/36/58/55/440365855.db2.gz HFLDDBJLNHVCNT-HNNXBMFYSA-N 1 3 328.457 0.117 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659574478 440366476 /nfs/dbraw/zinc/36/64/76/440366476.db2.gz VNJVMISTUHPUQZ-CQSZACIVSA-N 1 3 337.468 0.206 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)N1CCN(C)CC1 ZINC000659431982 440325783 /nfs/dbraw/zinc/32/57/83/440325783.db2.gz SPFMIBBPPOPORT-RBSFLKMASA-N 1 3 329.464 0.339 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000659448978 440329617 /nfs/dbraw/zinc/32/96/17/440329617.db2.gz YOAKMMOJXWQJNS-HUUCEWRRSA-N 1 3 341.500 0.602 20 0 ECADHO N[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[C@H]1F ZINC000659470413 440335936 /nfs/dbraw/zinc/33/59/36/440335936.db2.gz AFTQVKJJNPNXIQ-KBUPBQIOSA-N 1 3 328.432 0.445 20 0 ECADHO C[C@H]1CCC[C@](CNC(=O)C(=O)N2CC3CC2(CN)C3)([NH+](C)C)C1 ZINC000659680327 440415271 /nfs/dbraw/zinc/41/52/71/440415271.db2.gz MMXAHNNRWXLROF-LSHSLQSTSA-N 1 3 336.480 0.563 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000659692997 440427055 /nfs/dbraw/zinc/42/70/55/440427055.db2.gz CYTUYIQBJMGYGQ-HLLBOEOZSA-N 1 3 346.475 0.737 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000659641063 440389593 /nfs/dbraw/zinc/38/95/93/440389593.db2.gz QJZQRKDCSOSGEI-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000632960693 440394715 /nfs/dbraw/zinc/39/47/15/440394715.db2.gz JLLRZQNWANWBMY-UHFFFAOYSA-N 1 3 338.456 0.850 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[NH2+]1 ZINC000633010130 440406608 /nfs/dbraw/zinc/40/66/08/440406608.db2.gz HERWQWHTRRBUOM-STQMWFEESA-N 1 3 348.451 0.345 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000659673350 440407377 /nfs/dbraw/zinc/40/73/77/440407377.db2.gz BDXAPKCLTZSASL-IAGOWNOFSA-N 1 3 348.491 0.765 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659673359 440408545 /nfs/dbraw/zinc/40/85/45/440408545.db2.gz BQODBYOBECYEKU-WUJZJPHMSA-N 1 3 344.459 0.144 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@H]1C[NH3+] ZINC000633021675 440408624 /nfs/dbraw/zinc/40/86/24/440408624.db2.gz BJCJVIWSWJPWCZ-UKRRQHHQSA-N 1 3 332.448 0.782 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334068 440469452 /nfs/dbraw/zinc/46/94/52/440469452.db2.gz GLOLBCMTSZKLRZ-PKOBYXMFSA-N 1 3 342.487 0.986 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334068 440469454 /nfs/dbraw/zinc/46/94/54/440469454.db2.gz GLOLBCMTSZKLRZ-PKOBYXMFSA-N 1 3 342.487 0.986 20 0 ECADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334068 440469459 /nfs/dbraw/zinc/46/94/59/440469459.db2.gz GLOLBCMTSZKLRZ-PKOBYXMFSA-N 1 3 342.487 0.986 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000659742212 440478942 /nfs/dbraw/zinc/47/89/42/440478942.db2.gz QFZXDENNPOVKIQ-RBSFLKMASA-N 1 3 326.485 0.855 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C[C@H]1C[NH3+] ZINC000633081509 440433067 /nfs/dbraw/zinc/43/30/67/440433067.db2.gz FUQCIACEYDMDBS-BZUAXINKSA-N 1 3 336.480 0.517 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000638088945 440435222 /nfs/dbraw/zinc/43/52/22/440435222.db2.gz MBSSGFRZEWPQMT-HNNXBMFYSA-N 1 3 331.420 0.962 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633094543 440439880 /nfs/dbraw/zinc/43/98/80/440439880.db2.gz MKOQWLMQFOWTNZ-OKILXGFUSA-N 1 3 334.420 0.133 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000644103182 440444061 /nfs/dbraw/zinc/44/40/61/440444061.db2.gz JDGSEIAKGJGMPZ-CYBMUJFWSA-N 1 3 327.392 0.496 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638108818 440444537 /nfs/dbraw/zinc/44/45/37/440444537.db2.gz PYEPZSNOOKHNEG-INIZCTEOSA-N 1 3 330.432 0.642 20 0 ECADHO N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000638111935 440446230 /nfs/dbraw/zinc/44/62/30/440446230.db2.gz HGSARLHECKVIMX-SJORKVTESA-N 1 3 333.432 0.894 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000659715622 440452544 /nfs/dbraw/zinc/45/25/44/440452544.db2.gz XORKYIVROOSYQH-LSDHHAIUSA-N 1 3 336.480 0.768 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)[C@]2(COC)CCCC[NH2+]2)CC1 ZINC000638136543 440455826 /nfs/dbraw/zinc/45/58/26/440455826.db2.gz IKKRYOGNNLYDFC-NVXWUHKLSA-N 1 3 326.485 0.287 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638136747 440455904 /nfs/dbraw/zinc/45/59/04/440455904.db2.gz AQFKVHDZGDLRMZ-INMHGKMJSA-N 1 3 326.485 0.143 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)CN3CCNCC3)nc2)CC1 ZINC000638139996 440460373 /nfs/dbraw/zinc/46/03/73/440460373.db2.gz SHSJYSOIAUVGTH-UHFFFAOYSA-N 1 3 346.479 0.456 20 0 ECADHO CN(C)CCN(CCCc1ccccc1)C(=O)CN1CC[NH2+]CC1 ZINC000638277246 440497263 /nfs/dbraw/zinc/49/72/63/440497263.db2.gz SQWUCEDZAAJKOV-UHFFFAOYSA-N 1 3 332.492 0.915 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(CC(F)F)CC1 ZINC000665640520 440511884 /nfs/dbraw/zinc/51/18/84/440511884.db2.gz WQIPHDCLXBYBQS-AWEZNQCLSA-N 1 3 349.470 0.851 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(CC(F)F)CC1 ZINC000665640520 440511888 /nfs/dbraw/zinc/51/18/88/440511888.db2.gz WQIPHDCLXBYBQS-AWEZNQCLSA-N 1 3 349.470 0.851 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]1(O)CCSC1 ZINC000665759276 440526081 /nfs/dbraw/zinc/52/60/81/440526081.db2.gz BMJGBAJUUKOEEW-DZGCQCFKSA-N 1 3 332.514 0.426 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]1(O)CCSC1 ZINC000665759276 440526087 /nfs/dbraw/zinc/52/60/87/440526087.db2.gz BMJGBAJUUKOEEW-DZGCQCFKSA-N 1 3 332.514 0.426 20 0 ECADHO COC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665758851 440527287 /nfs/dbraw/zinc/52/72/87/440527287.db2.gz RGQCXQNCEIYZHH-LSDHHAIUSA-N 1 3 330.473 0.315 20 0 ECADHO COC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665758851 440527290 /nfs/dbraw/zinc/52/72/90/440527290.db2.gz RGQCXQNCEIYZHH-LSDHHAIUSA-N 1 3 330.473 0.315 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000638405717 440530959 /nfs/dbraw/zinc/53/09/59/440530959.db2.gz GRYJZWQMXNULDO-AOIWGVFYSA-N 1 3 347.459 0.636 20 0 ECADHO CN(CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC(C)(C)C ZINC000638220486 440480853 /nfs/dbraw/zinc/48/08/53/440480853.db2.gz QVSNTQUVSKTOLD-GFCCVEGCSA-N 1 3 338.418 0.917 20 0 ECADHO CCCN1CC[C@H](NC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638428040 440536551 /nfs/dbraw/zinc/53/65/51/440536551.db2.gz YKMFQOIJFSNDMT-QWRGUYRKSA-N 1 3 342.394 0.964 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000660152605 440607567 /nfs/dbraw/zinc/60/75/67/440607567.db2.gz AVWONERQLAOJOH-KURKYZTESA-N 1 3 326.529 0.645 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000660152605 440607574 /nfs/dbraw/zinc/60/75/74/440607574.db2.gz AVWONERQLAOJOH-KURKYZTESA-N 1 3 326.529 0.645 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1COCCOC1 ZINC000644472989 440614098 /nfs/dbraw/zinc/61/40/98/440614098.db2.gz LGHXTDWLSIFAQY-INIZCTEOSA-N 1 3 342.484 0.459 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1COCCOC1 ZINC000644472989 440614103 /nfs/dbraw/zinc/61/41/03/440614103.db2.gz LGHXTDWLSIFAQY-INIZCTEOSA-N 1 3 342.484 0.459 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1CCNCC1 ZINC000638848404 440631785 /nfs/dbraw/zinc/63/17/85/440631785.db2.gz AIRRWMVQZQYAIB-FUHWJXTLSA-N 1 3 330.476 0.776 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1CCNCC1 ZINC000638848404 440631788 /nfs/dbraw/zinc/63/17/88/440631788.db2.gz AIRRWMVQZQYAIB-FUHWJXTLSA-N 1 3 330.476 0.776 20 0 ECADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COC2CCOCC2)CCCO1 ZINC000644632248 440659023 /nfs/dbraw/zinc/65/90/23/440659023.db2.gz HMCVWSJHWMUTQK-HOTGVXAUSA-N 1 3 330.469 0.633 20 0 ECADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COC2CCOCC2)CCCO1 ZINC000644632248 440659029 /nfs/dbraw/zinc/65/90/29/440659029.db2.gz HMCVWSJHWMUTQK-HOTGVXAUSA-N 1 3 330.469 0.633 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028005 440698494 /nfs/dbraw/zinc/69/84/94/440698494.db2.gz GXWRMGRBIJXCRX-ARFHVFGLSA-N 1 3 336.480 0.707 20 0 ECADHO COc1nnc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000666846444 440698487 /nfs/dbraw/zinc/69/84/87/440698487.db2.gz OEIGFAVVIAEBPH-JTQLQIEISA-N 1 3 330.458 0.940 20 0 ECADHO COc1nnc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000666846444 440698495 /nfs/dbraw/zinc/69/84/95/440698495.db2.gz OEIGFAVVIAEBPH-JTQLQIEISA-N 1 3 330.458 0.940 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656028245 440698074 /nfs/dbraw/zinc/69/80/74/440698074.db2.gz JKAZEYSMPGCGRK-OAGGEKHMSA-N 1 3 338.496 0.951 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)C[C@@H]21 ZINC000656028673 440700787 /nfs/dbraw/zinc/70/07/87/440700787.db2.gz OJYWSYFIQJIDIY-ZHCJQAHYSA-N 1 3 348.491 0.705 20 0 ECADHO CCCN1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000666926859 440709948 /nfs/dbraw/zinc/70/99/48/440709948.db2.gz ZQOIHMMADDSRCT-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CCCN1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000666926859 440709953 /nfs/dbraw/zinc/70/99/53/440709953.db2.gz ZQOIHMMADDSRCT-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H](CNC(=O)N(C)CC[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000650922373 440710050 /nfs/dbraw/zinc/71/00/50/440710050.db2.gz GPSKOLFVLXKRPN-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660704757 440712981 /nfs/dbraw/zinc/71/29/81/440712981.db2.gz OYYIDODPBVWBOZ-HZPDHXFCSA-N 1 3 340.468 0.260 20 0 ECADHO COCCOCCOCCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000660903641 440757100 /nfs/dbraw/zinc/75/71/00/440757100.db2.gz JIYZLFAYFOKIRP-UHFFFAOYSA-N 1 3 330.469 0.853 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000629536836 440723518 /nfs/dbraw/zinc/72/35/18/440723518.db2.gz JPPKRFMQIQRVNC-KBPBESRZSA-N 1 3 338.452 0.535 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000629615453 440743322 /nfs/dbraw/zinc/74/33/22/440743322.db2.gz PGEGUTJKFRGTNK-RRFJBIMHSA-N 1 3 337.468 0.073 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656290242 440753827 /nfs/dbraw/zinc/75/38/27/440753827.db2.gz TWXUYOZEURIDBS-DLBZAZTESA-N 1 3 348.491 0.863 20 0 ECADHO NC(=O)[C@@H]1C[NH+](Cc2cccc(CN3CCCCC3)c2)C[C@H]1C(N)=O ZINC000639844386 440803011 /nfs/dbraw/zinc/80/30/11/440803011.db2.gz INAJRJQLEVMPCS-IAGOWNOFSA-N 1 3 344.459 0.691 20 0 ECADHO NC(=O)[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C(N)=O ZINC000639844386 440803016 /nfs/dbraw/zinc/80/30/16/440803016.db2.gz INAJRJQLEVMPCS-IAGOWNOFSA-N 1 3 344.459 0.691 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656310750 440760498 /nfs/dbraw/zinc/76/04/98/440760498.db2.gz FBCDQUIRHOQYNR-BRWVUGGUSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656310750 440760502 /nfs/dbraw/zinc/76/05/02/440760502.db2.gz FBCDQUIRHOQYNR-BRWVUGGUSA-N 1 3 348.491 0.720 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000629788938 440761492 /nfs/dbraw/zinc/76/14/92/440761492.db2.gz BZWIFVACHJAAQL-UHFFFAOYSA-N 1 3 338.427 0.523 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629796447 440764777 /nfs/dbraw/zinc/76/47/77/440764777.db2.gz QTYXKSVHFWRONC-HDICACEKSA-N 1 3 336.480 0.245 20 0 ECADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645259372 440771208 /nfs/dbraw/zinc/77/12/08/440771208.db2.gz AFOJPOXFOAZRFF-CABCVRRESA-N 1 3 341.500 0.724 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656333417 440772549 /nfs/dbraw/zinc/77/25/49/440772549.db2.gz IABJRVFLRNDBEU-MXASKKJJSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656333417 440772551 /nfs/dbraw/zinc/77/25/51/440772551.db2.gz IABJRVFLRNDBEU-MXASKKJJSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000645267190 440773616 /nfs/dbraw/zinc/77/36/16/440773616.db2.gz IJCBUCOGABRNIP-HZSPNIEDSA-N 1 3 325.457 0.231 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000645267190 440773617 /nfs/dbraw/zinc/77/36/17/440773617.db2.gz IJCBUCOGABRNIP-HZSPNIEDSA-N 1 3 325.457 0.231 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000645311435 440782930 /nfs/dbraw/zinc/78/29/30/440782930.db2.gz QXEFREOVDVZBQX-HNNXBMFYSA-N 1 3 348.495 0.670 20 0 ECADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656355601 440787505 /nfs/dbraw/zinc/78/75/05/440787505.db2.gz LUXJIZAQUVPLKQ-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[C@@](C)(O)C2CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000630044946 440845425 /nfs/dbraw/zinc/84/54/25/440845425.db2.gz PEPOFEBLXGXZGD-NXWXRZEISA-N 1 3 339.524 0.856 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000635698708 440956161 /nfs/dbraw/zinc/95/61/61/440956161.db2.gz FCMUTCFYROOSSU-DLBZAZTESA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000635698708 440956166 /nfs/dbraw/zinc/95/61/66/440956166.db2.gz FCMUTCFYROOSSU-DLBZAZTESA-N 1 3 341.496 0.914 20 0 ECADHO CN(CCNC(=O)[C@H]1CC[C@@H]1C(=O)NCC[N@H+](C)C1CC1)C1CC1 ZINC000630823159 440965303 /nfs/dbraw/zinc/96/53/03/440965303.db2.gz GJYHIMGLKITSJX-HOTGVXAUSA-N 1 3 336.480 0.433 20 0 ECADHO CN(CCNC(=O)[C@H]1CC[C@@H]1C(=O)NCC[N@@H+](C)C1CC1)C1CC1 ZINC000630823159 440965310 /nfs/dbraw/zinc/96/53/10/440965310.db2.gz GJYHIMGLKITSJX-HOTGVXAUSA-N 1 3 336.480 0.433 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000645803161 440923880 /nfs/dbraw/zinc/92/38/80/440923880.db2.gz BQXODHGPOYGHLQ-JKIFEVAISA-N 1 3 335.452 0.916 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662251375 440994182 /nfs/dbraw/zinc/99/41/82/440994182.db2.gz AWACCDBDVYDXTI-RBSFLKMASA-N 1 3 325.453 0.371 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662251375 440994190 /nfs/dbraw/zinc/99/41/90/440994190.db2.gz AWACCDBDVYDXTI-RBSFLKMASA-N 1 3 325.453 0.371 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H](CN2CCCC2=O)C1 ZINC000662317449 441010113 /nfs/dbraw/zinc/01/01/13/441010113.db2.gz PPRFZGVFQARITD-BZSNNMDCSA-N 1 3 331.460 0.862 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317449 441010119 /nfs/dbraw/zinc/01/01/19/441010119.db2.gz PPRFZGVFQARITD-BZSNNMDCSA-N 1 3 331.460 0.862 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662317449 441010127 /nfs/dbraw/zinc/01/01/27/441010127.db2.gz PPRFZGVFQARITD-BZSNNMDCSA-N 1 3 331.460 0.862 20 0 ECADHO [NH3+]CC1(CCNC(=O)NCC(=O)NCCN2CCCCCC2)CC1 ZINC000652233238 441036219 /nfs/dbraw/zinc/03/62/19/441036219.db2.gz PZHNAHIQYXGXDW-UHFFFAOYSA-N 1 3 339.484 0.407 20 0 ECADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345585 441054104 /nfs/dbraw/zinc/05/41/04/441054104.db2.gz GFIJREKJYMIDFG-BPKGMFCQSA-N 1 3 339.480 0.888 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCn3nc4ccccn4c3=O)C2)C1 ZINC000652347534 441056387 /nfs/dbraw/zinc/05/63/87/441056387.db2.gz DBINEZFUHPPVOA-BZUAXINKSA-N 1 3 345.447 0.714 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000641414291 441114858 /nfs/dbraw/zinc/11/48/58/441114858.db2.gz XCHGTDDMPUILAD-OAHLLOKOSA-N 1 3 349.479 0.806 20 0 ECADHO [NH3+]CCOCc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641230450 441081102 /nfs/dbraw/zinc/08/11/02/441081102.db2.gz RFYXDUHTEXICEP-QGZVFWFLSA-N 1 3 331.420 0.390 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000340204840 321021620 /nfs/dbraw/zinc/02/16/20/321021620.db2.gz VLJLNYOSUUSRRH-UHFFFAOYSA-N 1 3 338.496 0.635 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000340208638 321022276 /nfs/dbraw/zinc/02/22/76/321022276.db2.gz DKLQVRJRFVPCFG-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340260074 321031185 /nfs/dbraw/zinc/03/11/85/321031185.db2.gz PIPHXJAZNMXNPX-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340260074 321031186 /nfs/dbraw/zinc/03/11/86/321031186.db2.gz PIPHXJAZNMXNPX-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000340262019 321031890 /nfs/dbraw/zinc/03/18/90/321031890.db2.gz LGAGGPNJXATUCK-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340422047 321043153 /nfs/dbraw/zinc/04/31/53/321043153.db2.gz CBHPLJPCMLSQRU-CJNGLKHVSA-N 1 3 344.525 0.386 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340422047 321043154 /nfs/dbraw/zinc/04/31/54/321043154.db2.gz CBHPLJPCMLSQRU-CJNGLKHVSA-N 1 3 344.525 0.386 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+](CC)CC ZINC000342043741 321073380 /nfs/dbraw/zinc/07/33/80/321073380.db2.gz SEPCQVQJFILTJO-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)[C@@H](C)C1 ZINC000345208656 321178816 /nfs/dbraw/zinc/17/88/16/321178816.db2.gz AGIRHCMYBKWHBM-JSGCOSHPSA-N 1 3 330.454 0.414 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)C1CCC(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000346142568 321215602 /nfs/dbraw/zinc/21/56/02/321215602.db2.gz RSYVNWOLCSUDFC-FXQLRMTLSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000347976487 321261537 /nfs/dbraw/zinc/26/15/37/321261537.db2.gz MUOPSSYNKCMNKO-OAGGEKHMSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000349856413 321317039 /nfs/dbraw/zinc/31/70/39/321317039.db2.gz FQOCLXHZDMXOTD-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1=O ZINC000351843030 321337762 /nfs/dbraw/zinc/33/77/62/321337762.db2.gz XZOZDSSUSYVDFL-ZJIFWQFVSA-N 1 3 336.480 0.515 20 0 ECADHO CN1CCN(c2ncc(C[N@H+](C)C3CCN(CCO)CC3)cn2)CC1 ZINC000353353420 321388491 /nfs/dbraw/zinc/38/84/91/321388491.db2.gz NFKIHXQADWETOK-UHFFFAOYSA-N 1 3 348.495 0.117 20 0 ECADHO CN1CCN(c2ncc(C[N@@H+](C)C3CCN(CCO)CC3)cn2)CC1 ZINC000353353420 321388493 /nfs/dbraw/zinc/38/84/93/321388493.db2.gz NFKIHXQADWETOK-UHFFFAOYSA-N 1 3 348.495 0.117 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000556724729 322194009 /nfs/dbraw/zinc/19/40/09/322194009.db2.gz BACVAGGWJCGUIW-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000556724729 322194010 /nfs/dbraw/zinc/19/40/10/322194010.db2.gz BACVAGGWJCGUIW-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000561199090 322255866 /nfs/dbraw/zinc/25/58/66/322255866.db2.gz MCIWLOAULBWUNT-HZPDHXFCSA-N 1 3 337.512 0.796 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)C2)nn1 ZINC000563116981 322299391 /nfs/dbraw/zinc/29/93/91/322299391.db2.gz QQOXUDBWHCNXOI-YSVLISHTSA-N 1 3 332.452 0.680 20 0 ECADHO CN1CCN(C[C@@H](O)CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC000563882272 322350095 /nfs/dbraw/zinc/35/00/95/322350095.db2.gz WPKNWCODZFEPJR-OALUTQOASA-N 1 3 348.491 0.273 20 0 ECADHO CN1CCN(C[C@@H](O)CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC000563882272 322350096 /nfs/dbraw/zinc/35/00/96/322350096.db2.gz WPKNWCODZFEPJR-OALUTQOASA-N 1 3 348.491 0.273 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000564715156 322388689 /nfs/dbraw/zinc/38/86/89/322388689.db2.gz BJWUPBYUYZTYFQ-SFHVURJKSA-N 1 3 345.491 0.854 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000565610394 322467347 /nfs/dbraw/zinc/46/73/47/322467347.db2.gz RUKWQEFHTVRXQE-CABCVRRESA-N 1 3 326.485 0.713 20 0 ECADHO CN(C)CCn1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000566924180 322560923 /nfs/dbraw/zinc/56/09/23/322560923.db2.gz NGUFOPBOFBPFIA-OAHLLOKOSA-N 1 3 349.479 0.675 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000567917337 322606291 /nfs/dbraw/zinc/60/62/91/322606291.db2.gz IEJNKDYVQBXGPQ-GOEBONIOSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000570159906 322678090 /nfs/dbraw/zinc/67/80/90/322678090.db2.gz QTSXTKAUWCPVQC-YHUYYLMFSA-N 1 3 325.501 0.780 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000571656072 322729113 /nfs/dbraw/zinc/72/91/13/322729113.db2.gz IAOPPNSAMDLNMZ-UHFFFAOYSA-N 1 3 348.447 0.511 20 0 ECADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)CCN2C1=O ZINC000572901310 322753211 /nfs/dbraw/zinc/75/32/11/322753211.db2.gz JBHFMSMUOYZPKI-PMPSAXMXSA-N 1 3 345.447 0.420 20 0 ECADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000579691929 322903651 /nfs/dbraw/zinc/90/36/51/322903651.db2.gz ZCJIRDGQNTZHRB-HOCLYGCPSA-N 1 3 349.483 0.958 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000262928590 536572486 /nfs/dbraw/zinc/57/24/86/536572486.db2.gz SLQRIKVQNDTNIX-LBPRGKRZSA-N 1 3 336.392 0.458 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000343013924 546092124 /nfs/dbraw/zinc/09/21/24/546092124.db2.gz NNTCHSXVJFUUSE-ZNMIVQPWSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCCN2C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000620747255 546450280 /nfs/dbraw/zinc/45/02/80/546450280.db2.gz OTTXENQNODMMMQ-QKPAOTATSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCCN2C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000620747255 546450283 /nfs/dbraw/zinc/45/02/83/546450283.db2.gz OTTXENQNODMMMQ-QKPAOTATSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)[C@H]1CCCN1C ZINC000620747255 546450287 /nfs/dbraw/zinc/45/02/87/546450287.db2.gz OTTXENQNODMMMQ-QKPAOTATSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)[C@H]1CCCN1C ZINC000620747255 546450291 /nfs/dbraw/zinc/45/02/91/546450291.db2.gz OTTXENQNODMMMQ-QKPAOTATSA-N 1 3 336.480 0.623 20 0 ECADHO NC(=O)C[C@H]1CCN(CC2(C[N@@H+]3CC[C@@H](CC(N)=O)C3)CCC2)C1 ZINC000621295431 546499069 /nfs/dbraw/zinc/49/90/69/546499069.db2.gz JHQLQZKBWNFHBD-GASCZTMLSA-N 1 3 336.480 0.551 20 0 ECADHO NC(=O)C[C@H]1CCN(CC2(C[N@H+]3CC[C@@H](CC(N)=O)C3)CCC2)C1 ZINC000621295431 546499072 /nfs/dbraw/zinc/49/90/72/546499072.db2.gz JHQLQZKBWNFHBD-GASCZTMLSA-N 1 3 336.480 0.551 20 0 ECADHO NC(=O)C[C@H]1CC[N@@H+](CC2(CN3CC[C@@H](CC(N)=O)C3)CCC2)C1 ZINC000621295431 546499074 /nfs/dbraw/zinc/49/90/74/546499074.db2.gz JHQLQZKBWNFHBD-GASCZTMLSA-N 1 3 336.480 0.551 20 0 ECADHO NC(=O)C[C@H]1CC[N@H+](CC2(CN3CC[C@@H](CC(N)=O)C3)CCC2)C1 ZINC000621295431 546499075 /nfs/dbraw/zinc/49/90/75/546499075.db2.gz JHQLQZKBWNFHBD-GASCZTMLSA-N 1 3 336.480 0.551 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621844822 546575307 /nfs/dbraw/zinc/57/53/07/546575307.db2.gz XPVJLDBCILJAMZ-QFBILLFUSA-N 1 3 344.459 0.704 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028418 546610642 /nfs/dbraw/zinc/61/06/42/546610642.db2.gz QKTAWELJLKFNEE-KBXCAEBGSA-N 1 3 348.447 0.510 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000622325070 546660116 /nfs/dbraw/zinc/66/01/16/546660116.db2.gz MNRCLHPLOXLDPG-OAHLLOKOSA-N 1 3 347.463 0.740 20 0 ECADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624188619 546887984 /nfs/dbraw/zinc/88/79/84/546887984.db2.gz ZIYJHHJDKKIHIP-ZDUSSCGKSA-N 1 3 327.436 0.831 20 0 ECADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624188619 546887986 /nfs/dbraw/zinc/88/79/86/546887986.db2.gz ZIYJHHJDKKIHIP-ZDUSSCGKSA-N 1 3 327.436 0.831 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000625464099 547107798 /nfs/dbraw/zinc/10/77/98/547107798.db2.gz BZZBFKZNBMKOOH-OAGGEKHMSA-N 1 3 338.496 0.491 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667266469 547492216 /nfs/dbraw/zinc/49/22/16/547492216.db2.gz YWBBZHWQVLFQIL-AWEZNQCLSA-N 1 3 348.447 0.954 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000667800739 547558311 /nfs/dbraw/zinc/55/83/11/547558311.db2.gz MSBHVGLSZPTHGH-CQSZACIVSA-N 1 3 333.436 0.696 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000667800739 547558316 /nfs/dbraw/zinc/55/83/16/547558316.db2.gz MSBHVGLSZPTHGH-CQSZACIVSA-N 1 3 333.436 0.696 20 0 ECADHO C[C@H]1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000668329709 547619138 /nfs/dbraw/zinc/61/91/38/547619138.db2.gz AXCWXQZJGUHPPF-QRJUGERDSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@H]1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000668329709 547619141 /nfs/dbraw/zinc/61/91/41/547619141.db2.gz AXCWXQZJGUHPPF-QRJUGERDSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000668329709 547619145 /nfs/dbraw/zinc/61/91/45/547619145.db2.gz AXCWXQZJGUHPPF-QRJUGERDSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000668329709 547619152 /nfs/dbraw/zinc/61/91/52/547619152.db2.gz AXCWXQZJGUHPPF-QRJUGERDSA-N 1 3 336.480 0.289 20 0 ECADHO CO[C@@H]1CS(=O)(=O)C[C@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000668506567 547672815 /nfs/dbraw/zinc/67/28/15/547672815.db2.gz KPZIFOAARYXMRG-HUUCEWRRSA-N 1 3 325.434 0.452 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000668651400 547713945 /nfs/dbraw/zinc/71/39/45/547713945.db2.gz HQAKNXKOPBPBDT-JYJNAYRXSA-N 1 3 338.496 0.824 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000668651400 547713947 /nfs/dbraw/zinc/71/39/47/547713947.db2.gz HQAKNXKOPBPBDT-JYJNAYRXSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000669496357 547899284 /nfs/dbraw/zinc/89/92/84/547899284.db2.gz CDKICNFWDQXRKU-WMLDXEAASA-N 1 3 346.475 0.843 20 0 ECADHO O=C(NCC1CCN(c2ccncc2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000669550924 547905196 /nfs/dbraw/zinc/90/51/96/547905196.db2.gz GEGUNJWHBZPPIR-QGZVFWFLSA-N 1 3 347.463 0.976 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1 ZINC000670535699 548028539 /nfs/dbraw/zinc/02/85/39/548028539.db2.gz TUWJIXAXBJKQIU-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1 ZINC000670535700 548028583 /nfs/dbraw/zinc/02/85/83/548028583.db2.gz TUWJIXAXBJKQIU-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000670783070 548047601 /nfs/dbraw/zinc/04/76/01/548047601.db2.gz OMBJPMLAXQSBJP-SJORKVTESA-N 1 3 348.491 0.815 20 0 ECADHO C[N@@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H]2CCC[C@@H]21 ZINC000671746704 548225614 /nfs/dbraw/zinc/22/56/14/548225614.db2.gz YZSOXFFPVNLNQR-PMPSAXMXSA-N 1 3 344.525 0.026 20 0 ECADHO C[N@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H]2CCC[C@@H]21 ZINC000671746704 548225617 /nfs/dbraw/zinc/22/56/17/548225617.db2.gz YZSOXFFPVNLNQR-PMPSAXMXSA-N 1 3 344.525 0.026 20 0 ECADHO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672308084 548304602 /nfs/dbraw/zinc/30/46/02/548304602.db2.gz YPFLECSPRMHAGC-GTPINHCMSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCN1C ZINC000672593747 548357305 /nfs/dbraw/zinc/35/73/05/548357305.db2.gz PAYRWBQDMHZNDW-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000672593741 548357811 /nfs/dbraw/zinc/35/78/11/548357811.db2.gz OYNVOLVKYRXKBK-GJZGRUSLSA-N 1 3 345.447 0.329 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000672593741 548357813 /nfs/dbraw/zinc/35/78/13/548357813.db2.gz OYNVOLVKYRXKBK-GJZGRUSLSA-N 1 3 345.447 0.329 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000672699726 548375215 /nfs/dbraw/zinc/37/52/15/548375215.db2.gz DOBLCGTUIJFDIJ-HNNXBMFYSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000672699041 548375239 /nfs/dbraw/zinc/37/52/39/548375239.db2.gz WPDIHTCJIMTENQ-LZWOXQAQSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000676088628 548787069 /nfs/dbraw/zinc/78/70/69/548787069.db2.gz CQMQUDNRPWSHRV-LSDHHAIUSA-N 1 3 348.451 0.126 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000676088628 548787074 /nfs/dbraw/zinc/78/70/74/548787074.db2.gz CQMQUDNRPWSHRV-LSDHHAIUSA-N 1 3 348.451 0.126 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](CCCN2CCOC2=O)CC1 ZINC000750533148 579354442 /nfs/dbraw/zinc/35/44/42/579354442.db2.gz UZRQGYFMESSQSR-UHFFFAOYSA-N 1 3 326.441 0.219 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000758454499 579473483 /nfs/dbraw/zinc/47/34/83/579473483.db2.gz AYWSHPABHWGUMR-HZPDHXFCSA-N 1 3 342.484 0.507 20 0 ECADHO CS[C@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1N(C)C ZINC000759986613 579501665 /nfs/dbraw/zinc/50/16/65/579501665.db2.gz JZBYJLWUUFYTRM-KBPBESRZSA-N 1 3 340.497 0.954 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1)C(C)C ZINC000793706408 578936520 /nfs/dbraw/zinc/93/65/20/578936520.db2.gz CGPLZSAESXVORD-OAHLLOKOSA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1)C(C)C ZINC000793706408 578936521 /nfs/dbraw/zinc/93/65/21/578936521.db2.gz CGPLZSAESXVORD-OAHLLOKOSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793714422 578936814 /nfs/dbraw/zinc/93/68/14/578936814.db2.gz SCLLUCDZFQVZLJ-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793714422 578936816 /nfs/dbraw/zinc/93/68/16/578936816.db2.gz SCLLUCDZFQVZLJ-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CCN(C=O)CC2)c1 ZINC000774168761 579241625 /nfs/dbraw/zinc/24/16/25/579241625.db2.gz ITIWYOXJVJKXIN-UHFFFAOYSA-N 1 3 332.448 0.688 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H](C[NH+]3CCCC3)C1)C2=O ZINC000739875983 579720495 /nfs/dbraw/zinc/72/04/95/579720495.db2.gz LABNWZVXUDRJOW-HNNXBMFYSA-N 1 3 349.479 0.378 20 0 ECADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)C1CCN(C)CC1 ZINC000746243029 579834179 /nfs/dbraw/zinc/83/41/79/579834179.db2.gz QNPBTPGYHWDQBY-AWEZNQCLSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000841051323 588976618 /nfs/dbraw/zinc/97/66/18/588976618.db2.gz PSJATCUNCOUTCK-CYBMUJFWSA-N 1 3 330.432 0.871 20 0 ECADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000841051621 588976870 /nfs/dbraw/zinc/97/68/70/588976870.db2.gz SSHTYYQYSCOTEQ-CYBMUJFWSA-N 1 3 334.420 0.563 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)CCC1 ZINC000841095477 588977833 /nfs/dbraw/zinc/97/78/33/588977833.db2.gz GSQVYPVGJMIVFR-UHFFFAOYSA-N 1 3 348.447 0.905 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])cc2)CC1 ZINC000841164824 588980351 /nfs/dbraw/zinc/98/03/51/588980351.db2.gz WEHXVEKOXANFKL-AWEZNQCLSA-N 1 3 347.463 0.621 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000841188502 588981545 /nfs/dbraw/zinc/98/15/45/588981545.db2.gz QKXQOXPIUHMFTH-UHFFFAOYSA-N 1 3 347.463 0.621 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000841725067 588999026 /nfs/dbraw/zinc/99/90/26/588999026.db2.gz JQXIRTWLPIVQMH-GJZGRUSLSA-N 1 3 339.484 0.357 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000841791137 589001001 /nfs/dbraw/zinc/00/10/01/589001001.db2.gz NTUASDNYTBYLOD-MWDXBVQZSA-N 1 3 336.480 0.881 20 0 ECADHO O=C(C[C@H]1CNCCO1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847408 589002710 /nfs/dbraw/zinc/00/27/10/589002710.db2.gz XICVCBUSDSJTCP-CVEARBPZSA-N 1 3 347.415 0.912 20 0 ECADHO Cc1cc([C@@H](N)CC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc(Cl)n1 ZINC000841848858 589002991 /nfs/dbraw/zinc/00/29/91/589002991.db2.gz YFJNGEDBZAZOTC-STQMWFEESA-N 1 3 325.844 0.535 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000841933235 589006428 /nfs/dbraw/zinc/00/64/28/589006428.db2.gz LEMMGTVMRRZCRJ-QGZVFWFLSA-N 1 3 334.464 0.834 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000842226972 589022567 /nfs/dbraw/zinc/02/25/67/589022567.db2.gz LYKYVMYWWRFHBO-INIZCTEOSA-N 1 3 332.448 0.560 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891480261 586170818 /nfs/dbraw/zinc/17/08/18/586170818.db2.gz AHQDQXKXQFJLNJ-CYBMUJFWSA-N 1 3 327.473 0.356 20 0 ECADHO Cc1cnc2c(cnn2CC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000895502152 586185688 /nfs/dbraw/zinc/18/56/88/586185688.db2.gz FJZIPYQFYGIQJP-UHFFFAOYSA-N 1 3 332.452 0.692 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000895665568 586197145 /nfs/dbraw/zinc/19/71/45/586197145.db2.gz DHOCPXKKEYRQDP-ARFHVFGLSA-N 1 3 325.501 0.604 20 0 ECADHO CN(C)CCOCCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891842645 586200498 /nfs/dbraw/zinc/20/04/98/586200498.db2.gz VVVLYAYDGLSPKP-MNOVXSKESA-N 1 3 326.363 0.343 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000891884571 586203167 /nfs/dbraw/zinc/20/31/67/586203167.db2.gz KXHLQEWJMMPSTL-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CN(C)S(=O)(=O)C1(C[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000895810878 586205771 /nfs/dbraw/zinc/20/57/71/586205771.db2.gz RNODCLQXDBFVJM-UHFFFAOYSA-N 1 3 333.498 0.235 20 0 ECADHO CN1CCN(C2CCN(C(=O)NCCC3CC[NH2+]CC3)CC2)CC1 ZINC000892233429 586237540 /nfs/dbraw/zinc/23/75/40/586237540.db2.gz PSRLIYXJGPLPHS-UHFFFAOYSA-N 1 3 337.512 0.798 20 0 ECADHO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000892549238 586272880 /nfs/dbraw/zinc/27/28/80/586272880.db2.gz YELIQROEHLDVQJ-BBWFWOEESA-N 1 3 332.448 0.790 20 0 ECADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000897340944 586301162 /nfs/dbraw/zinc/30/11/62/586301162.db2.gz BHRVQNPATUIWFG-CQSZACIVSA-N 1 3 345.447 0.329 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893384775 586327615 /nfs/dbraw/zinc/32/76/15/586327615.db2.gz ZDOZGCSTLCENNN-JKSUJKDBSA-N 1 3 326.485 0.959 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893384775 586327618 /nfs/dbraw/zinc/32/76/18/586327618.db2.gz ZDOZGCSTLCENNN-JKSUJKDBSA-N 1 3 326.485 0.959 20 0 ECADHO O=C(N[C@@H](CO)CN1CCCCC1)C1C[NH+](C2CCOCC2)C1 ZINC000897725675 586362742 /nfs/dbraw/zinc/36/27/42/586362742.db2.gz WLXBCURLGROEJV-OAHLLOKOSA-N 1 3 325.453 0.060 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(C)CCN(C)CC1 ZINC000899652468 586494021 /nfs/dbraw/zinc/49/40/21/586494021.db2.gz FPJNJZVIHYUVGJ-OAHLLOKOSA-N 1 3 327.542 0.524 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(C)CCN(C)CC1 ZINC000899652468 586494022 /nfs/dbraw/zinc/49/40/22/586494022.db2.gz FPJNJZVIHYUVGJ-OAHLLOKOSA-N 1 3 327.542 0.524 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCCCCC[NH3+])N1CCC[C@H](C)C1 ZINC000843262365 589058435 /nfs/dbraw/zinc/05/84/35/589058435.db2.gz PMMNXTPIEUVMKT-GJZGRUSLSA-N 1 3 326.485 0.858 20 0 ECADHO CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000900659985 586652214 /nfs/dbraw/zinc/65/22/14/586652214.db2.gz RMRUNRMCRYPIHL-QGZVFWFLSA-N 1 3 339.528 0.155 20 0 ECADHO CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)CC1 ZINC000900800766 586668881 /nfs/dbraw/zinc/66/88/81/586668881.db2.gz AUJJYVMGZOMWPT-SJORKVTESA-N 1 3 339.528 0.153 20 0 ECADHO [NH3+]C[C@H]1CCCN(CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903420663 586775972 /nfs/dbraw/zinc/77/59/72/586775972.db2.gz FGFQLCMHPZCHSR-CQSZACIVSA-N 1 3 331.416 0.970 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903447075 586776609 /nfs/dbraw/zinc/77/66/09/586776609.db2.gz CUCVWXZLVZFEFX-KBPBESRZSA-N 1 3 331.416 0.968 20 0 ECADHO COCCCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509588 586780593 /nfs/dbraw/zinc/78/05/93/586780593.db2.gz KAAMKQZFXRAEAE-BHYGNILZSA-N 1 3 338.496 0.428 20 0 ECADHO COCCCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509588 586780594 /nfs/dbraw/zinc/78/05/94/586780594.db2.gz KAAMKQZFXRAEAE-BHYGNILZSA-N 1 3 338.496 0.428 20 0 ECADHO COCCCNC(=O)C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723316 586801865 /nfs/dbraw/zinc/80/18/65/586801865.db2.gz VDHYDNOFWCUTQI-SJLPKXTDSA-N 1 3 339.480 0.620 20 0 ECADHO COCCOCCOCCN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000903760935 586808205 /nfs/dbraw/zinc/80/82/05/586808205.db2.gz LKFWXBRTRPGISA-DLBZAZTESA-N 1 3 330.469 0.884 20 0 ECADHO COC(=O)c1cn(C2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903761078 586808540 /nfs/dbraw/zinc/80/85/40/586808540.db2.gz ZOCIDWKJNWCROA-PBHICJAKSA-N 1 3 349.435 0.470 20 0 ECADHO CS(=O)(=O)NCC1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903755563 586811704 /nfs/dbraw/zinc/81/17/04/586811704.db2.gz JKIFYMLYESJNJA-LSDHHAIUSA-N 1 3 331.482 0.016 20 0 ECADHO COC(=O)c1cn([C@H]2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903759098 586813045 /nfs/dbraw/zinc/81/30/45/586813045.db2.gz OQVDSIOMSPBJCF-KBPBESRZSA-N 1 3 349.435 0.470 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCN1c1ccncc1 ZINC000903777470 586814239 /nfs/dbraw/zinc/81/42/39/586814239.db2.gz YAGKGKVOBFBXDM-ZFWWWQNUSA-N 1 3 345.447 0.314 20 0 ECADHO COCC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000903837571 586819277 /nfs/dbraw/zinc/81/92/77/586819277.db2.gz NPVMLNWOTUXFGR-MSOLQXFVSA-N 1 3 348.491 0.716 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCNC[C@H]2c2ccncc2)cnn1C ZINC000903918260 586827268 /nfs/dbraw/zinc/82/72/68/586827268.db2.gz VUNNNILYVXAVCD-YJBOKZPZSA-N 1 3 328.464 0.887 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cnc3c(c1)c(C)nn3C)C2 ZINC000903978234 586828712 /nfs/dbraw/zinc/82/87/12/586828712.db2.gz BGRLRUOOPUIVHT-IYOUNJFTSA-N 1 3 343.431 0.989 20 0 ECADHO C[C@]1(C2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)COC(=O)N1 ZINC000903986449 586829485 /nfs/dbraw/zinc/82/94/85/586829485.db2.gz JXDHMKNSAJJBJW-CXAGYDPISA-N 1 3 338.452 0.394 20 0 ECADHO C[C@]1([C@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)COC(=O)N1 ZINC000903986735 586829628 /nfs/dbraw/zinc/82/96/28/586829628.db2.gz QOUXILCADBCRHJ-GRDNDAEWSA-N 1 3 338.452 0.394 20 0 ECADHO C[C@]1([C@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)COC(=O)N1 ZINC000903986735 586829630 /nfs/dbraw/zinc/82/96/30/586829630.db2.gz QOUXILCADBCRHJ-GRDNDAEWSA-N 1 3 338.452 0.394 20 0 ECADHO C[C@]1([C@@H]2CCC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)COC(=O)N1 ZINC000903986734 586829725 /nfs/dbraw/zinc/82/97/25/586829725.db2.gz QOUXILCADBCRHJ-CKEIUWERSA-N 1 3 338.452 0.394 20 0 ECADHO C[C@]1([C@@H]2CCC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)COC(=O)N1 ZINC000903986734 586829728 /nfs/dbraw/zinc/82/97/28/586829728.db2.gz QOUXILCADBCRHJ-CKEIUWERSA-N 1 3 338.452 0.394 20 0 ECADHO NCc1cn([C@H]2CCCN(Cc3ccc(N4CC[NH2+]CC4)o3)C2)nn1 ZINC000904371752 586836220 /nfs/dbraw/zinc/83/62/20/586836220.db2.gz SLAKZRUWVLMBNO-HNNXBMFYSA-N 1 3 345.451 0.577 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC[C@@H](O)C2(O)CCOCC2)c1 ZINC000905089043 586867602 /nfs/dbraw/zinc/86/76/02/586867602.db2.gz LHLIBXCPXOOCST-QGZVFWFLSA-N 1 3 338.448 0.619 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000843492219 589072075 /nfs/dbraw/zinc/07/20/75/589072075.db2.gz BDJUHODDYPQJRT-OAHLLOKOSA-N 1 3 341.452 0.146 20 0 ECADHO O[C@@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)C1(O)CCOCC1 ZINC000905173351 586877003 /nfs/dbraw/zinc/87/70/03/586877003.db2.gz GGAQMRSMLQTFFH-ZACQAIPSSA-N 1 3 342.480 0.246 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000817766637 587383265 /nfs/dbraw/zinc/38/32/65/587383265.db2.gz HTRJBHYCLGYSTD-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000817766637 587383267 /nfs/dbraw/zinc/38/32/67/587383267.db2.gz HTRJBHYCLGYSTD-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000844171292 589098104 /nfs/dbraw/zinc/09/81/04/589098104.db2.gz OHDKUHZZEKSLBC-HZPDHXFCSA-N 1 3 325.453 0.515 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)CO[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000844174512 589099004 /nfs/dbraw/zinc/09/90/04/589099004.db2.gz HZKJOBLLNUVKAD-XHSDSOJGSA-N 1 3 327.469 0.761 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(C1)OCCO2 ZINC000820075060 587507411 /nfs/dbraw/zinc/50/74/11/587507411.db2.gz RYPXIHHOIPOQMD-AWEZNQCLSA-N 1 3 328.457 0.417 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(C1)OCCO2 ZINC000820075060 587507412 /nfs/dbraw/zinc/50/74/12/587507412.db2.gz RYPXIHHOIPOQMD-AWEZNQCLSA-N 1 3 328.457 0.417 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(C[NH3+])c1 ZINC000828247041 588167662 /nfs/dbraw/zinc/16/76/62/588167662.db2.gz KIJIOTBGYDWNKT-MRXNPFEDSA-N 1 3 332.448 0.818 20 0 ECADHO C[C@@H]1CN(C(=[NH2+])NCc2cccc(C(=O)NCCN(C)C)c2)CCO1 ZINC000849094324 589319907 /nfs/dbraw/zinc/31/99/07/589319907.db2.gz FGICDCKCFRVNGH-CQSZACIVSA-N 1 3 347.463 0.723 20 0 ECADHO CCN1CCC[C@@H]1CNC(=S)NCCN(C)CCC[NH+](C)C ZINC000849280631 589324357 /nfs/dbraw/zinc/32/43/57/589324357.db2.gz YIELLIDXNLGEDX-OAHLLOKOSA-N 1 3 329.558 0.818 20 0 ECADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC000849554507 589340678 /nfs/dbraw/zinc/34/06/78/589340678.db2.gz SQZOQLQTWDPZMF-PVAVHDDUSA-N 1 3 333.480 0.913 20 0 ECADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC000849554507 589340680 /nfs/dbraw/zinc/34/06/80/589340680.db2.gz SQZOQLQTWDPZMF-PVAVHDDUSA-N 1 3 333.480 0.913 20 0 ECADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849554504 589340715 /nfs/dbraw/zinc/34/07/15/589340715.db2.gz SQZOQLQTWDPZMF-DJIMGWMZSA-N 1 3 333.480 0.913 20 0 ECADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849554504 589340716 /nfs/dbraw/zinc/34/07/16/589340716.db2.gz SQZOQLQTWDPZMF-DJIMGWMZSA-N 1 3 333.480 0.913 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)cc2)CC1 ZINC000850867920 589388786 /nfs/dbraw/zinc/38/87/86/589388786.db2.gz SEVMYRDMQMCMQV-CQSZACIVSA-N 1 3 347.463 0.491 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(C2CC[NH2+]CC2)no1 ZINC000852799558 589512634 /nfs/dbraw/zinc/51/26/34/589512634.db2.gz UFFGXHUDAGBRLJ-UONOGXRCSA-N 1 3 334.420 0.735 20 0 ECADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000857841491 589712969 /nfs/dbraw/zinc/71/29/69/589712969.db2.gz CFWJZZFLSYTTDO-HYVNUMGLSA-N 1 3 348.491 0.944 20 0 ECADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000857841491 589712973 /nfs/dbraw/zinc/71/29/73/589712973.db2.gz CFWJZZFLSYTTDO-HYVNUMGLSA-N 1 3 348.491 0.944 20 0 ECADHO O=C(CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Nc1cccnc1 ZINC000866714294 589762247 /nfs/dbraw/zinc/76/22/47/589762247.db2.gz LGUATQSYONLRLY-KFWWJZLASA-N 1 3 345.403 0.277 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867443595 589786065 /nfs/dbraw/zinc/78/60/65/589786065.db2.gz LDEYYPFOKKPMPV-HOTGVXAUSA-N 1 3 336.480 0.339 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867443595 589786069 /nfs/dbraw/zinc/78/60/69/589786069.db2.gz LDEYYPFOKKPMPV-HOTGVXAUSA-N 1 3 336.480 0.339 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867570943 589807711 /nfs/dbraw/zinc/80/77/11/589807711.db2.gz BKYCKHKOLSVNFA-WCXIOVBPSA-N 1 3 348.491 0.624 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867570943 589807714 /nfs/dbraw/zinc/80/77/14/589807714.db2.gz BKYCKHKOLSVNFA-WCXIOVBPSA-N 1 3 348.491 0.624 20 0 ECADHO CO[C@@H]1CN(CC[Si](C)(C)CC[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000859325771 589822033 /nfs/dbraw/zinc/82/20/33/589822033.db2.gz VVRKAMMDLUJYNK-KLHDSHLOSA-N 1 3 346.544 0.078 20 0 ECADHO CO[C@@H]1CN(CC[Si](C)(C)CC[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000859325771 589822035 /nfs/dbraw/zinc/82/20/35/589822035.db2.gz VVRKAMMDLUJYNK-KLHDSHLOSA-N 1 3 346.544 0.078 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000868261767 589886691 /nfs/dbraw/zinc/88/66/91/589886691.db2.gz UADREUXZLZFZEZ-HNNXBMFYSA-N 1 3 346.431 0.190 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[C@@H](N2CCCCC2)C1 ZINC000868417710 589904471 /nfs/dbraw/zinc/90/44/71/589904471.db2.gz GSKKGOOYSUVEFR-OWCLPIDISA-N 1 3 334.464 0.426 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000863549801 590022085 /nfs/dbraw/zinc/02/20/85/590022085.db2.gz RJNNHJLSZJXNNP-OWCLPIDISA-N 1 3 339.436 0.439 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000863549799 590022225 /nfs/dbraw/zinc/02/22/25/590022225.db2.gz RJNNHJLSZJXNNP-HRCADAONSA-N 1 3 339.436 0.439 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(F)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000864610482 590088685 /nfs/dbraw/zinc/08/86/85/590088685.db2.gz ORKLMRZHXZUTAP-ZIAGYGMSSA-N 1 3 342.459 0.526 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(F)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000864610482 590088688 /nfs/dbraw/zinc/08/86/88/590088688.db2.gz ORKLMRZHXZUTAP-ZIAGYGMSSA-N 1 3 342.459 0.526 20 0 ECADHO C[NH+]1CCC(CNC(=S)N[C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC000865243222 590135232 /nfs/dbraw/zinc/13/52/32/590135232.db2.gz LKWXNNNPKVVXOT-AWEZNQCLSA-N 1 3 328.526 0.638 20 0 ECADHO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc3c(s2)CCNC3)C1 ZINC000873212665 590186838 /nfs/dbraw/zinc/18/68/38/590186838.db2.gz OJIKPBSPMWTYAN-LLVKDONJSA-N 1 3 329.491 0.765 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874823073 590252801 /nfs/dbraw/zinc/25/28/01/590252801.db2.gz MXUMUFPJDKYGTL-HOTGVXAUSA-N 1 3 327.469 0.666 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874823073 590252802 /nfs/dbraw/zinc/25/28/02/590252802.db2.gz MXUMUFPJDKYGTL-HOTGVXAUSA-N 1 3 327.469 0.666 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875055569 590265752 /nfs/dbraw/zinc/26/57/52/590265752.db2.gz ALJJNWIKHROPDP-DOTOQJQBSA-N 1 3 337.512 0.748 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000875055569 590265754 /nfs/dbraw/zinc/26/57/54/590265754.db2.gz ALJJNWIKHROPDP-DOTOQJQBSA-N 1 3 337.512 0.748 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875170193 590278084 /nfs/dbraw/zinc/27/80/84/590278084.db2.gz ZJVXNAQQHIUFFP-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875170193 590278085 /nfs/dbraw/zinc/27/80/85/590278085.db2.gz ZJVXNAQQHIUFFP-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CN1C1CC1 ZINC000875329767 590293591 /nfs/dbraw/zinc/29/35/91/590293591.db2.gz SJIIHGWFUUMRQF-KGLIPLIRSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CN1C1CC1 ZINC000875329767 590293593 /nfs/dbraw/zinc/29/35/93/590293593.db2.gz SJIIHGWFUUMRQF-KGLIPLIRSA-N 1 3 336.480 0.671 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)NCC2([S@@](C)=O)CC2)C[C@H]1C[NH+](C)C ZINC000875558997 590308849 /nfs/dbraw/zinc/30/88/49/590308849.db2.gz NXFXVHRPMURQNJ-GJDIJTJZSA-N 1 3 344.525 0.278 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875728542 590326093 /nfs/dbraw/zinc/32/60/93/590326093.db2.gz WKDDKHPDORUPHC-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)C[C@H](N)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000876520534 590385229 /nfs/dbraw/zinc/38/52/29/590385229.db2.gz AAOMRWKXDPCJRV-JSGCOSHPSA-N 1 3 334.420 0.423 20 0 ECADHO COC[C@]1(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCCCN1 ZINC000876719105 590402474 /nfs/dbraw/zinc/40/24/74/590402474.db2.gz CXUDNYWUCIXDSX-AEFFLSMTSA-N 1 3 339.480 0.905 20 0 ECADHO [NH3+]C[C@]1(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CCCOC1 ZINC000876719977 590403230 /nfs/dbraw/zinc/40/32/30/590403230.db2.gz XVOVBJAPQAQCBB-DOTOQJQBSA-N 1 3 325.453 0.502 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)c2)nn1 ZINC000877207334 590445193 /nfs/dbraw/zinc/44/51/93/590445193.db2.gz SLFSGTNUBZUMBP-WMZOPIPTSA-N 1 3 340.431 0.732 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1=O ZINC000877375509 590461825 /nfs/dbraw/zinc/46/18/25/590461825.db2.gz TUHNXVVYIUWWQY-YIOZNXECSA-N 1 3 348.491 0.387 20 0 ECADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC(=O)NC2CCN(C)CC2)cn1 ZINC000878950941 590553852 /nfs/dbraw/zinc/55/38/52/590553852.db2.gz ASJSQAUUYBNCRS-RDJZCZTQSA-N 1 3 333.480 0.931 20 0 ECADHO C[C@H]1CN(S(=O)(=O)CCCN(C)C)CCN1c1cc[nH+]cc1 ZINC000882619316 590564690 /nfs/dbraw/zinc/56/46/90/590564690.db2.gz GFXMTUPWRNSRHB-AWEZNQCLSA-N 1 3 326.466 0.874 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883638977 590637555 /nfs/dbraw/zinc/63/75/55/590637555.db2.gz BPFBEVAJAHBHAK-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000883640350 590638325 /nfs/dbraw/zinc/63/83/25/590638325.db2.gz NBUNLBSWKYMKAP-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCN1c1ccncc1 ZINC000883641368 590638573 /nfs/dbraw/zinc/63/85/73/590638573.db2.gz NCSSGODGTFMOMM-WRSVWVKZSA-N 1 3 343.431 0.068 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884876611 590639478 /nfs/dbraw/zinc/63/94/78/590639478.db2.gz HXJAEOKGBXGFPH-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883658072 590645520 /nfs/dbraw/zinc/64/55/20/590645520.db2.gz RWUHUSSIECSXQH-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974227 590659491 /nfs/dbraw/zinc/65/94/91/590659491.db2.gz PNMDOCRNQYMCGQ-GJZGRUSLSA-N 1 3 338.496 0.822 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000885007790 590667495 /nfs/dbraw/zinc/66/74/95/590667495.db2.gz KGGVBFDSLAQNBM-YYIAUSFCSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000885014354 590669097 /nfs/dbraw/zinc/66/90/97/590669097.db2.gz DSIMAKYEAKICLS-YVSFHVDLSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)CCCN(C)C ZINC000885848073 590771301 /nfs/dbraw/zinc/77/13/01/590771301.db2.gz OMNAMWATHZSPMU-CQSZACIVSA-N 1 3 326.466 0.874 20 0 ECADHO COCC[C@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000884234036 590784843 /nfs/dbraw/zinc/78/48/43/590784843.db2.gz FSJLTYYSXRSQKJ-SFHVURJKSA-N 1 3 348.491 0.674 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]([NH3+])CCOC)CC1 ZINC000884233842 590785091 /nfs/dbraw/zinc/78/50/91/590785091.db2.gz AKHLMQXVFDZARK-GOSISDBHSA-N 1 3 348.491 0.804 20 0 ECADHO C[NH2+][C@@H](CC(C)C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000884465130 590834890 /nfs/dbraw/zinc/83/48/90/590834890.db2.gz ODNIUBMYVLRLHF-INIZCTEOSA-N 1 3 330.436 0.976 20 0 ECADHO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000884464907 590834928 /nfs/dbraw/zinc/83/49/28/590834928.db2.gz GMNUTIBCBHOQQC-HNNXBMFYSA-N 1 3 328.420 0.588 20 0 ECADHO OC[C@@H]1CN(CC[NH+]2CCCCC2)CCN1CCN1CCCCC1 ZINC000886371010 590835025 /nfs/dbraw/zinc/83/50/25/590835025.db2.gz CECZVOWTTKAUAU-IBGZPJMESA-N 1 3 338.540 0.937 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000884490863 590842660 /nfs/dbraw/zinc/84/26/60/590842660.db2.gz IQCRYHUIUAIWNZ-GJZGRUSLSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CCC(C)CC1 ZINC000884502726 590845361 /nfs/dbraw/zinc/84/53/61/590845361.db2.gz RLSJJCJATDOWFW-BZUAXINKSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000884518721 590849186 /nfs/dbraw/zinc/84/91/86/590849186.db2.gz YDJFNJZOVYPHLX-ZFWWWQNUSA-N 1 3 348.447 0.191 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CCC1 ZINC000884529007 590851342 /nfs/dbraw/zinc/85/13/42/590851342.db2.gz CSZCYICYGVFZOX-QGZVFWFLSA-N 1 3 338.496 0.810 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)C1CC1 ZINC000884601451 590867993 /nfs/dbraw/zinc/86/79/93/590867993.db2.gz LVRFJQSPZCFWIA-GOSISDBHSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N(C)C1CC1 ZINC000884616811 590872746 /nfs/dbraw/zinc/87/27/46/590872746.db2.gz CGTMIKUNFGGLKD-RDTXWAMCSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884664709 590886005 /nfs/dbraw/zinc/88/60/05/590886005.db2.gz SPVQTXOPDLZHSG-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884704661 590902889 /nfs/dbraw/zinc/90/28/89/590902889.db2.gz ONEYHWXJLMMSOP-LZWOXQAQSA-N 1 3 332.448 0.334 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884704661 590902892 /nfs/dbraw/zinc/90/28/92/590902892.db2.gz ONEYHWXJLMMSOP-LZWOXQAQSA-N 1 3 332.448 0.334 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000884705144 590902978 /nfs/dbraw/zinc/90/29/78/590902978.db2.gz INFHPFZMRBOCFM-HNNXBMFYSA-N 1 3 346.475 0.868 20 0 ECADHO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000884706779 590903569 /nfs/dbraw/zinc/90/35/69/590903569.db2.gz NOVVZPIALYKSIT-HNNXBMFYSA-N 1 3 336.480 0.707 20 0 ECADHO C[NH+](C)C1(C)CCC(NC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000884709838 590904475 /nfs/dbraw/zinc/90/44/75/590904475.db2.gz QRJVBOATMNFSEQ-SWKXRBFHSA-N 1 3 338.496 0.999 20 0 ECADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000886935225 590906788 /nfs/dbraw/zinc/90/67/88/590906788.db2.gz CIBLETNEFRTPBJ-NSHDSACASA-N 1 3 330.383 0.811 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884720921 590908645 /nfs/dbraw/zinc/90/86/45/590908645.db2.gz WSOOEWLHHHDMTA-IIAWOOMASA-N 1 3 345.447 0.233 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1(C)C ZINC000884726191 590911682 /nfs/dbraw/zinc/91/16/82/590911682.db2.gz KPFOZNOBYILAIA-SOUVJXGZSA-N 1 3 336.480 0.433 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000884776054 590919420 /nfs/dbraw/zinc/91/94/20/590919420.db2.gz NVLRSBYZCKQTJI-JJTUDDRGSA-N 1 3 348.491 0.766 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884787548 590923528 /nfs/dbraw/zinc/92/35/28/590923528.db2.gz VLUVLOCUTKKSFM-MAUKXSAKSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C[NH2+]1 ZINC000884818321 590929255 /nfs/dbraw/zinc/92/92/55/590929255.db2.gz ZOTULOUTTROAQD-KFWWJZLASA-N 1 3 345.447 0.375 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000887093611 590942909 /nfs/dbraw/zinc/94/29/09/590942909.db2.gz PQWBANKVKFRHEP-SOUVJXGZSA-N 1 3 343.431 0.082 20 0 ECADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946598074 611359613 /nfs/dbraw/zinc/35/96/13/611359613.db2.gz XFMKNJJRMYTHFD-TWMKSMIVSA-N 1 3 337.464 0.012 20 0 ECADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946598074 611359614 /nfs/dbraw/zinc/35/96/14/611359614.db2.gz XFMKNJJRMYTHFD-TWMKSMIVSA-N 1 3 337.464 0.012 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)CC(C)(C)O1 ZINC000930498946 611436225 /nfs/dbraw/zinc/43/62/25/611436225.db2.gz BOXFGBISRUYOAG-MRXNPFEDSA-N 1 3 342.528 0.828 20 0 ECADHO CN1C[C@H](O)C[C@H]1CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000924982918 611445346 /nfs/dbraw/zinc/44/53/46/611445346.db2.gz YLOMXADICKOTRH-RUZMYDRRSA-N 1 3 347.459 0.821 20 0 ECADHO CN1C[C@@H](O)C[C@H]1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000924983861 611445399 /nfs/dbraw/zinc/44/53/99/611445399.db2.gz KOVRSWUQCLJCBC-GJZGRUSLSA-N 1 3 325.453 0.203 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000946793374 611481186 /nfs/dbraw/zinc/48/11/86/611481186.db2.gz APIZTOUEFKZCAY-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000946793374 611481189 /nfs/dbraw/zinc/48/11/89/611481189.db2.gz APIZTOUEFKZCAY-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946797363 611484262 /nfs/dbraw/zinc/48/42/62/611484262.db2.gz CSKYWUWGEYXETA-LZWOXQAQSA-N 1 3 345.447 0.401 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946797363 611484265 /nfs/dbraw/zinc/48/42/65/611484265.db2.gz CSKYWUWGEYXETA-LZWOXQAQSA-N 1 3 345.447 0.401 20 0 ECADHO CN(C)CCn1nccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926131397 611518456 /nfs/dbraw/zinc/51/84/56/611518456.db2.gz QBPQMZYZJVRPNI-NXEZZACHSA-N 1 3 334.346 0.798 20 0 ECADHO 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ZINC000908417261 609653529 /nfs/dbraw/zinc/65/35/29/609653529.db2.gz GUUTZDOWVZVKHT-UXLLHSPISA-N 1 3 325.453 0.155 20 0 ECADHO O=C(CNC(=O)C1CC[NH+](C2CC2)CC1)NCCN1CCCCC1 ZINC000909316888 609691454 /nfs/dbraw/zinc/69/14/54/609691454.db2.gz OPHDPCCNEMWLKT-UHFFFAOYSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)N1CCCCC1 ZINC000910959402 609783048 /nfs/dbraw/zinc/78/30/48/609783048.db2.gz PYJVHIJGAZRXRR-SFHVURJKSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)NCC2([NH3+])CC2)CCCN1Cc1ccccc1 ZINC000910947404 609785197 /nfs/dbraw/zinc/78/51/97/609785197.db2.gz XMZBQDZKOVYRML-SFHVURJKSA-N 1 3 344.459 0.765 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000911006568 609793541 /nfs/dbraw/zinc/79/35/41/609793541.db2.gz FWOQUQYXRFEHGI-OIISXLGYSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N(C)Cc1ccccc1 ZINC000911011005 609793963 /nfs/dbraw/zinc/79/39/63/609793963.db2.gz ZZQZLUAUPBPFCA-GDBMZVCRSA-N 1 3 346.475 0.819 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911055341 609795887 /nfs/dbraw/zinc/79/58/87/609795887.db2.gz NKWNUKCTEMZCAG-HDMKZQKVSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911030490 609796859 /nfs/dbraw/zinc/79/68/59/609796859.db2.gz XPIDNHZKCGDBAX-YHUYYLMFSA-N 1 3 336.480 0.291 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911257308 609837679 /nfs/dbraw/zinc/83/76/79/609837679.db2.gz GOFDQJIYNCRHJA-KBXCAEBGSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000911333950 609850162 /nfs/dbraw/zinc/85/01/62/609850162.db2.gz VXYOVGOWDMQWPT-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000911313128 609851753 /nfs/dbraw/zinc/85/17/53/609851753.db2.gz CFULRMKAYLYLFV-SOUVJXGZSA-N 1 3 336.480 0.339 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000911313125 609851941 /nfs/dbraw/zinc/85/19/41/609851941.db2.gz CFULRMKAYLYLFV-QLFBSQMISA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000938567764 609874844 /nfs/dbraw/zinc/87/48/44/609874844.db2.gz GGXIOXHYKPQGHJ-HZPDHXFCSA-N 1 3 345.447 0.353 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911501407 609884632 /nfs/dbraw/zinc/88/46/32/609884632.db2.gz DBBLOIWUEDWTMD-UHFFFAOYSA-N 1 3 336.411 0.323 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000911532401 609886593 /nfs/dbraw/zinc/88/65/93/609886593.db2.gz KZADUYROMPTQHN-GOSISDBHSA-N 1 3 336.480 0.437 20 0 ECADHO COc1ccccc1[C@@H](N)CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911667746 609904957 /nfs/dbraw/zinc/90/49/57/609904957.db2.gz RPJZZCJKOAHRIO-SUMWQHHRSA-N 1 3 332.404 0.710 20 0 ECADHO N[C@@H]1CCc2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2NC1=O ZINC000911855878 609917538 /nfs/dbraw/zinc/91/75/38/609917538.db2.gz JHHPYPLYKLNMFG-QLFBSQMISA-N 1 3 328.416 0.865 20 0 ECADHO CN(CCO)CCN(C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000912603499 609975777 /nfs/dbraw/zinc/97/57/77/609975777.db2.gz HYNTZOUHJZSFHS-HNNXBMFYSA-N 1 3 329.510 0.586 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000938911598 610039105 /nfs/dbraw/zinc/03/91/05/610039105.db2.gz LDGOVMKQXGRZEW-HIFRSBDPSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938911598 610039107 /nfs/dbraw/zinc/03/91/07/610039107.db2.gz LDGOVMKQXGRZEW-HIFRSBDPSA-N 1 3 333.436 0.353 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC000940407658 610277567 /nfs/dbraw/zinc/27/75/67/610277567.db2.gz HTKQLIWRJRWOHX-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000940424435 610281621 /nfs/dbraw/zinc/28/16/21/610281621.db2.gz SOMMOEZHRMCEBW-CVEARBPZSA-N 1 3 336.480 0.672 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CC(C)[C@H](C(=O)NCCC1(C[NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC001167046022 731480752 /nfs/dbraw/zinc/48/07/52/731480752.db2.gz XXQYIOSBAQNQGI-HUUCEWRRSA-N 1 3 338.496 0.679 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCCN2CCn2cncn2)C1 ZINC000969144800 731523656 /nfs/dbraw/zinc/52/36/56/731523656.db2.gz UGKGGAXORPLJSY-HZPDHXFCSA-N 1 3 334.468 0.591 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCCN2CCn2cncn2)C1 ZINC000969144800 731523657 /nfs/dbraw/zinc/52/36/57/731523657.db2.gz UGKGGAXORPLJSY-HZPDHXFCSA-N 1 3 334.468 0.591 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000969407510 731814428 /nfs/dbraw/zinc/81/44/28/731814428.db2.gz JDHIVOFWPJYXNF-VZDIDWBNSA-N 1 3 342.443 0.635 20 0 ECADHO C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN(C)C1CCC1 ZINC001078074953 782259035 /nfs/dbraw/zinc/25/90/35/782259035.db2.gz VLJZQBMEYSDKBS-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114985086 732724198 /nfs/dbraw/zinc/72/41/98/732724198.db2.gz WRSBCKNAYRMKSF-QSJFSLAZSA-N 1 3 336.480 0.433 20 0 ECADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114985086 732724200 /nfs/dbraw/zinc/72/42/00/732724200.db2.gz WRSBCKNAYRMKSF-QSJFSLAZSA-N 1 3 336.480 0.433 20 0 ECADHO COCCOCC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232880 733077640 /nfs/dbraw/zinc/07/76/40/733077640.db2.gz SUNASZWUYQVIFA-MRXNPFEDSA-N 1 3 341.496 0.867 20 0 ECADHO C[C@H]1CCCCN1C(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970490275 733612533 /nfs/dbraw/zinc/61/25/33/733612533.db2.gz NTHVAIPYTGEKMZ-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CO[C@@H](C)CN1CC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970557854 733671557 /nfs/dbraw/zinc/67/15/57/733671557.db2.gz OESCAKIPXVIHMN-KBPBESRZSA-N 1 3 337.468 0.530 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000970718841 733867187 /nfs/dbraw/zinc/86/71/87/733867187.db2.gz XHXVKDOGLHPXPM-HUUCEWRRSA-N 1 3 343.493 0.098 20 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735818955 /nfs/dbraw/zinc/81/89/55/735818955.db2.gz HKSIBOOOYANVEY-KRWDZBQOSA-N 1 3 348.495 0.769 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1)[NH+](C)C ZINC000972267374 735865100 /nfs/dbraw/zinc/86/51/00/735865100.db2.gz ULXZZNZWWJKLEC-HUUCEWRRSA-N 1 3 339.484 0.131 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCc3ccnn3C)C2)C1 ZINC000972335985 735963127 /nfs/dbraw/zinc/96/31/27/735963127.db2.gz TXLAYCABKZFSQC-RDJZCZTQSA-N 1 3 333.480 0.837 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCc3ccnn3C)C2)C1 ZINC000972335985 735963133 /nfs/dbraw/zinc/96/31/33/735963133.db2.gz TXLAYCABKZFSQC-RDJZCZTQSA-N 1 3 333.480 0.837 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN([C@H]3CCCNC3=O)C2)CC1 ZINC001023569720 737023275 /nfs/dbraw/zinc/02/32/75/737023275.db2.gz QJGXGFBNQRKSMK-HOCLYGCPSA-N 1 3 336.480 0.435 20 0 ECADHO CN(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001067463281 737317000 /nfs/dbraw/zinc/31/70/00/737317000.db2.gz XNHCFRNDCFQVBY-HOTGVXAUSA-N 1 3 338.496 0.585 20 0 ECADHO CN(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001067463281 737317005 /nfs/dbraw/zinc/31/70/05/737317005.db2.gz XNHCFRNDCFQVBY-HOTGVXAUSA-N 1 3 338.496 0.585 20 0 ECADHO CN(CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001024017319 737620252 /nfs/dbraw/zinc/62/02/52/737620252.db2.gz DOCGJOGUCREPRO-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001024157314 737788489 /nfs/dbraw/zinc/78/84/89/737788489.db2.gz ZBIGRQRUQVCYNL-HOTGVXAUSA-N 1 3 348.495 0.968 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCCC3)C2)nn1 ZINC001024266754 737863693 /nfs/dbraw/zinc/86/36/93/737863693.db2.gz SUMKVOKEYWSXID-HNNXBMFYSA-N 1 3 347.463 0.909 20 0 ECADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)CN2CCCC2)C1 ZINC001006448746 751394297 /nfs/dbraw/zinc/39/42/97/751394297.db2.gz MJPPETATLYXYGE-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO Cn1ccc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O ZINC001024796919 738304698 /nfs/dbraw/zinc/30/46/98/738304698.db2.gz IWMBZYOGFFHNDZ-DLBZAZTESA-N 1 3 346.475 0.808 20 0 ECADHO Cn1ccc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001024796919 738304702 /nfs/dbraw/zinc/30/47/02/738304702.db2.gz IWMBZYOGFFHNDZ-DLBZAZTESA-N 1 3 346.475 0.808 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006456736 751405421 /nfs/dbraw/zinc/40/54/21/751405421.db2.gz MGVGJQHTROIQSJ-CQSZACIVSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000973313016 739089956 /nfs/dbraw/zinc/08/99/56/739089956.db2.gz ZXBWKPLQWFDTOC-QSPRXWTASA-N 1 3 348.491 0.576 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000973466595 739336299 /nfs/dbraw/zinc/33/62/99/739336299.db2.gz SFEVLFKPUJJUBV-FZKCQIBNSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000973466595 739336301 /nfs/dbraw/zinc/33/63/01/739336301.db2.gz SFEVLFKPUJJUBV-FZKCQIBNSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(N)=O ZINC001104684204 739480325 /nfs/dbraw/zinc/48/03/25/739480325.db2.gz ZAGVXZHYLSSQGT-RBSFLKMASA-N 1 3 338.496 0.666 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001025809059 739976398 /nfs/dbraw/zinc/97/63/98/739976398.db2.gz WHGHSKMMOMPRJL-ZVDSWSACSA-N 1 3 334.464 0.138 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001025809059 739976403 /nfs/dbraw/zinc/97/64/03/739976403.db2.gz WHGHSKMMOMPRJL-ZVDSWSACSA-N 1 3 334.464 0.138 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001025817939 739991809 /nfs/dbraw/zinc/99/18/09/739991809.db2.gz GKVJLMWGOSJEHG-FIDHJVLJSA-N 1 3 344.463 0.341 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001025817939 739991812 /nfs/dbraw/zinc/99/18/12/739991812.db2.gz GKVJLMWGOSJEHG-FIDHJVLJSA-N 1 3 344.463 0.341 20 0 ECADHO C[C@@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908655 740215846 /nfs/dbraw/zinc/21/58/46/740215846.db2.gz QALYSFQLXAOABC-HTRNMQKXSA-N 1 3 337.439 0.644 20 0 ECADHO C[C@@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908655 740215852 /nfs/dbraw/zinc/21/58/52/740215852.db2.gz QALYSFQLXAOABC-HTRNMQKXSA-N 1 3 337.439 0.644 20 0 ECADHO CCCCNC(=O)C[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769378 740321817 /nfs/dbraw/zinc/32/18/17/740321817.db2.gz HJVDIRSQUMBLLE-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026040853 740326843 /nfs/dbraw/zinc/32/68/43/740326843.db2.gz LOTIWNLYIVFKFK-KSXIZUIISA-N 1 3 334.464 0.138 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026040853 740326847 /nfs/dbraw/zinc/32/68/47/740326847.db2.gz LOTIWNLYIVFKFK-KSXIZUIISA-N 1 3 334.464 0.138 20 0 ECADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2)C1CCC1 ZINC001111778547 740522385 /nfs/dbraw/zinc/52/23/85/740522385.db2.gz DDNISSFLBRAWEU-JOQOYGCGSA-N 1 3 334.464 0.330 20 0 ECADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2)C1CCC1 ZINC001111778547 740522389 /nfs/dbraw/zinc/52/23/89/740522389.db2.gz DDNISSFLBRAWEU-JOQOYGCGSA-N 1 3 334.464 0.330 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cnnn3C)[C@H]2C1)C1CCC1 ZINC001026283901 740744021 /nfs/dbraw/zinc/74/40/21/740744021.db2.gz MYKCHSLYNVLKSA-RRQGHBQHSA-N 1 3 346.479 0.626 20 0 ECADHO CC1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCO)C2)CC1 ZINC001087398646 740776686 /nfs/dbraw/zinc/77/66/86/740776686.db2.gz DLRYVQSGQZVODU-XSLAGTTESA-N 1 3 335.492 0.879 20 0 ECADHO CC1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCO)C2)CC1 ZINC001087398646 740776689 /nfs/dbraw/zinc/77/66/89/740776689.db2.gz DLRYVQSGQZVODU-XSLAGTTESA-N 1 3 335.492 0.879 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)C1 ZINC000982116111 751608181 /nfs/dbraw/zinc/60/81/81/751608181.db2.gz GNDJGMZUXVYHOT-MRXNPFEDSA-N 1 3 346.479 0.544 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)C1 ZINC000982116111 751608186 /nfs/dbraw/zinc/60/81/86/751608186.db2.gz GNDJGMZUXVYHOT-MRXNPFEDSA-N 1 3 346.479 0.544 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001105067172 741282397 /nfs/dbraw/zinc/28/23/97/741282397.db2.gz QARHJDCCZUOLNW-OWCLPIDISA-N 1 3 340.512 0.878 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1)C1CC1 ZINC001105259903 741582615 /nfs/dbraw/zinc/58/26/15/741582615.db2.gz RJNGOBZOOZTZDH-KRWDZBQOSA-N 1 3 346.479 0.891 20 0 ECADHO COc1coc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1=O ZINC001026734246 741738684 /nfs/dbraw/zinc/73/86/84/741738684.db2.gz LVLFNLABIXAHOV-DZGCQCFKSA-N 1 3 349.431 0.681 20 0 ECADHO CC(C)CCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326673 741809324 /nfs/dbraw/zinc/80/93/24/741809324.db2.gz BGHWNGVYJMZCLI-PBHICJAKSA-N 1 3 348.495 0.995 20 0 ECADHO CC(C)CCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326673 741809329 /nfs/dbraw/zinc/80/93/29/741809329.db2.gz BGHWNGVYJMZCLI-PBHICJAKSA-N 1 3 348.495 0.995 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CCCO)CC2(C)C)n1 ZINC000974599765 741932983 /nfs/dbraw/zinc/93/29/83/741932983.db2.gz ZWINJLXBLBWNIF-OAHLLOKOSA-N 1 3 337.468 0.267 20 0 ECADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000893392475 742017590 /nfs/dbraw/zinc/01/75/90/742017590.db2.gz IKQIVKQRMQTAIF-UKRRQHHQSA-N 1 3 341.477 0.935 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001026885278 742025553 /nfs/dbraw/zinc/02/55/53/742025553.db2.gz HSUIZLUZRLJZJM-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)nn1 ZINC001026887931 742044120 /nfs/dbraw/zinc/04/41/20/742044120.db2.gz YGUFNKGKNPLIRA-GUYCJALGSA-N 1 3 347.463 0.764 20 0 ECADHO CCc1nnc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1C ZINC001027063970 742432605 /nfs/dbraw/zinc/43/26/05/742432605.db2.gz WOTOFCCXMKROJI-CABCVRRESA-N 1 3 348.495 0.800 20 0 ECADHO CCc1nnc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)n1C ZINC001027063970 742432607 /nfs/dbraw/zinc/43/26/07/742432607.db2.gz WOTOFCCXMKROJI-CABCVRRESA-N 1 3 348.495 0.800 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)n1 ZINC001027064202 742432872 /nfs/dbraw/zinc/43/28/72/742432872.db2.gz ZDPADCNHYJKTFC-LSDHHAIUSA-N 1 3 347.463 0.908 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027066641 742440359 /nfs/dbraw/zinc/44/03/59/742440359.db2.gz WCJXSYMDIDQANT-HNNXBMFYSA-N 1 3 348.495 0.968 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cncc(OC)n2)C1)N(C)C ZINC001027069874 742482032 /nfs/dbraw/zinc/48/20/32/742482032.db2.gz DGFYZMKWGQWFLD-ZFWWWQNUSA-N 1 3 335.452 0.764 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091094 742524229 /nfs/dbraw/zinc/52/42/29/742524229.db2.gz DCLYVUSWARDVCD-HIFRSBDPSA-N 1 3 333.436 0.400 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000975362328 742753419 /nfs/dbraw/zinc/75/34/19/742753419.db2.gz MAKFXLJVIVXREG-AWEZNQCLSA-N 1 3 347.463 0.649 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(Cc3cccc(C(N)=O)c3)C2)C1 ZINC001028984965 743082053 /nfs/dbraw/zinc/08/20/53/743082053.db2.gz GTPXRMZZRUFYRG-DOTOQJQBSA-N 1 3 344.459 0.675 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(Cc3cccc(C(N)=O)c3)C2)C1 ZINC001028984965 743082062 /nfs/dbraw/zinc/08/20/62/743082062.db2.gz GTPXRMZZRUFYRG-DOTOQJQBSA-N 1 3 344.459 0.675 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccn(C)c(=O)c3)CC2)C1 ZINC000996996146 743107037 /nfs/dbraw/zinc/10/70/37/743107037.db2.gz VEVUUTQFBDHFOW-OAHLLOKOSA-N 1 3 346.475 0.808 20 0 ECADHO C[C@H](NC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC000997002259 743114013 /nfs/dbraw/zinc/11/40/13/743114013.db2.gz VFUIDWFJCBAGLF-KBPBESRZSA-N 1 3 334.468 0.941 20 0 ECADHO C[C@H](NC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC000997002259 743114016 /nfs/dbraw/zinc/11/40/16/743114016.db2.gz VFUIDWFJCBAGLF-KBPBESRZSA-N 1 3 334.468 0.941 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000997002625 743115079 /nfs/dbraw/zinc/11/50/79/743115079.db2.gz XLMAMUDUVJRJFT-CQSZACIVSA-N 1 3 337.468 0.077 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]CCn2nc(C)nc2C)CC1)N(C)C ZINC000997010363 743126822 /nfs/dbraw/zinc/12/68/22/743126822.db2.gz UNJUUSQMAIAMMF-INIZCTEOSA-N 1 3 336.484 0.816 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC000997041535 743161905 /nfs/dbraw/zinc/16/19/05/743161905.db2.gz LQVNOCKZOYLIKI-AWEZNQCLSA-N 1 3 329.408 0.312 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027235593 743251294 /nfs/dbraw/zinc/25/12/94/743251294.db2.gz SPMGVOULMASBSW-WMLDXEAASA-N 1 3 344.459 0.688 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027235591 743251624 /nfs/dbraw/zinc/25/16/24/743251624.db2.gz SPMGVOULMASBSW-PBHICJAKSA-N 1 3 344.459 0.688 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CCO)CC1 ZINC000997229092 743376636 /nfs/dbraw/zinc/37/66/36/743376636.db2.gz QYQABVBKUUHHFR-GEMJLEDKSA-N 1 3 337.464 0.059 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001020583512 751829576 /nfs/dbraw/zinc/82/95/76/751829576.db2.gz ITYZGUSEICSCTQ-PMPSAXMXSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN([C@H]2CCCNC2=O)CC1 ZINC000997389305 743563075 /nfs/dbraw/zinc/56/30/75/743563075.db2.gz FGHLJMGODDOINW-ZBFHGGJFSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC000997392268 743565099 /nfs/dbraw/zinc/56/50/99/743565099.db2.gz IIXVDGDEKPOQIM-DZGCQCFKSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC000997392268 743565102 /nfs/dbraw/zinc/56/51/02/743565102.db2.gz IIXVDGDEKPOQIM-DZGCQCFKSA-N 1 3 336.480 0.386 20 0 ECADHO COc1nccc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001020588726 751849903 /nfs/dbraw/zinc/84/99/03/751849903.db2.gz KQAZUYSBTPWVCE-BPLDGKMQSA-N 1 3 333.436 0.564 20 0 ECADHO COc1nccc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001020588726 751849911 /nfs/dbraw/zinc/84/99/11/751849911.db2.gz KQAZUYSBTPWVCE-BPLDGKMQSA-N 1 3 333.436 0.564 20 0 ECADHO CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000997605765 743705675 /nfs/dbraw/zinc/70/56/75/743705675.db2.gz HRHZKSLGVXGMJM-INIZCTEOSA-N 1 3 334.468 0.720 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001027334621 743771191 /nfs/dbraw/zinc/77/11/91/743771191.db2.gz RIWUIYYEZWQHAP-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC001027334621 743771192 /nfs/dbraw/zinc/77/11/92/743771192.db2.gz RIWUIYYEZWQHAP-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO CCn1cc(CNCC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000997830612 743841204 /nfs/dbraw/zinc/84/12/04/743841204.db2.gz KHTSMPACJQFMNF-KRWDZBQOSA-N 1 3 348.495 0.966 20 0 ECADHO COc1cc(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)on1 ZINC000998264843 744085932 /nfs/dbraw/zinc/08/59/32/744085932.db2.gz HZVYLGKSFOUJJI-AWEZNQCLSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000998264843 744085936 /nfs/dbraw/zinc/08/59/36/744085936.db2.gz HZVYLGKSFOUJJI-AWEZNQCLSA-N 1 3 336.436 0.963 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)CCC1 ZINC000998267061 744087131 /nfs/dbraw/zinc/08/71/31/744087131.db2.gz MCPHURCBZYAHNW-VXGBXAGGSA-N 1 3 337.386 0.832 20 0 ECADHO CN(CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)C1CCC1 ZINC000998271387 744090341 /nfs/dbraw/zinc/09/03/41/744090341.db2.gz XAEHGVHKUDFWHR-QWHCGFSZSA-N 1 3 337.386 0.832 20 0 ECADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC000976560850 744090686 /nfs/dbraw/zinc/09/06/86/744090686.db2.gz ZGLMDCUAELOLOA-NRKLIOEPSA-N 1 3 348.491 0.241 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](NCCO)C2)CC1 ZINC000998282518 744096901 /nfs/dbraw/zinc/09/69/01/744096901.db2.gz AMYADBYGXIIMJM-STQMWFEESA-N 1 3 337.386 0.690 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@H]32)CC[N@@H+]1C ZINC000976602422 744126855 /nfs/dbraw/zinc/12/68/55/744126855.db2.gz QXHGQJSFAOOCGS-FPNFNFKQSA-N 1 3 348.491 0.240 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@H]32)CC[N@H+]1C ZINC000976602422 744126857 /nfs/dbraw/zinc/12/68/57/744126857.db2.gz QXHGQJSFAOOCGS-FPNFNFKQSA-N 1 3 348.491 0.240 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC000976761349 744302098 /nfs/dbraw/zinc/30/20/98/744302098.db2.gz PAEFJSUHIBXHGX-LTIDMASMSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000976866218 744420109 /nfs/dbraw/zinc/42/01/09/744420109.db2.gz ATSKZQZZAGJNNS-RMWBKXBUSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000976866218 744420111 /nfs/dbraw/zinc/42/01/11/744420111.db2.gz ATSKZQZZAGJNNS-RMWBKXBUSA-N 1 3 348.491 0.243 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC000976866733 744421133 /nfs/dbraw/zinc/42/11/33/744421133.db2.gz BFQTVUQKJIPOMA-FICVDOATSA-N 1 3 346.475 0.140 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976926462 744498181 /nfs/dbraw/zinc/49/81/81/744498181.db2.gz NBEBFDAKJSZBNH-ZXTQRBJTSA-N 1 3 345.447 0.175 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976926462 744498183 /nfs/dbraw/zinc/49/81/83/744498183.db2.gz NBEBFDAKJSZBNH-ZXTQRBJTSA-N 1 3 345.447 0.175 20 0 ECADHO O=C(CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCCC1 ZINC000999168164 744545474 /nfs/dbraw/zinc/54/54/74/744545474.db2.gz FCFQDPGZXXVFTJ-IRXDYDNUSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)CCC1 ZINC000999355312 744648514 /nfs/dbraw/zinc/64/85/14/744648514.db2.gz UJOGDWJJUMSGRW-GJZGRUSLSA-N 1 3 346.479 0.830 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1)C1CC1 ZINC000999367045 744657471 /nfs/dbraw/zinc/65/74/71/744657471.db2.gz DLJMNNBMIYSZJT-SJORKVTESA-N 1 3 333.480 0.883 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999408389 744681436 /nfs/dbraw/zinc/68/14/36/744681436.db2.gz JWCRHYVBTUCRSW-NFOMZHRRSA-N 1 3 334.468 0.719 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999408389 744681438 /nfs/dbraw/zinc/68/14/38/744681438.db2.gz JWCRHYVBTUCRSW-NFOMZHRRSA-N 1 3 334.468 0.719 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC000999473262 744715133 /nfs/dbraw/zinc/71/51/33/744715133.db2.gz LIKIBIDSFSECEJ-OPFPJEHXSA-N 1 3 333.436 0.448 20 0 ECADHO CC1CCN(CC(=O)N(C)C2CC([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC000999602302 744785225 /nfs/dbraw/zinc/78/52/25/744785225.db2.gz RKCPHWOFXXJNPX-GPANFISMSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999852575 744946414 /nfs/dbraw/zinc/94/64/14/744946414.db2.gz OWSMDYQEBPPJID-ZBFHGGJFSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999852575 744946415 /nfs/dbraw/zinc/94/64/15/744946415.db2.gz OWSMDYQEBPPJID-ZBFHGGJFSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000999879143 744989719 /nfs/dbraw/zinc/98/97/19/744989719.db2.gz UXBWCJNRTMUSTN-OAHLLOKOSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000999897125 745030669 /nfs/dbraw/zinc/03/06/69/745030669.db2.gz YSUFRHRUUCBEGY-UKRRQHHQSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000999897125 745030677 /nfs/dbraw/zinc/03/06/77/745030677.db2.gz YSUFRHRUUCBEGY-UKRRQHHQSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000988387328 751976658 /nfs/dbraw/zinc/97/66/58/751976658.db2.gz GSVPSCBQEHTIKR-KBPBESRZSA-N 1 3 333.436 0.211 20 0 ECADHO Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)C2)cn1 ZINC000983715337 745090896 /nfs/dbraw/zinc/09/08/96/745090896.db2.gz IEWJJSOILLDGOH-DZUCGIPZSA-N 1 3 347.463 0.268 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000988387328 751976663 /nfs/dbraw/zinc/97/66/63/751976663.db2.gz GSVPSCBQEHTIKR-KBPBESRZSA-N 1 3 333.436 0.211 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCN(C)C1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173269 745214365 /nfs/dbraw/zinc/21/43/65/745214365.db2.gz NKSLWZIOONCJSG-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CC[C@H](N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000079064 745247751 /nfs/dbraw/zinc/24/77/51/745247751.db2.gz TWJWBWAJDMOUEN-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)c2occc2CN(C)C)C1 ZINC001027546432 745303578 /nfs/dbraw/zinc/30/35/78/745303578.db2.gz NTOXVIMXYYWRIG-GXTWGEPZSA-N 1 3 336.436 0.751 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)c2occc2CN(C)C)C1 ZINC001027546432 745303583 /nfs/dbraw/zinc/30/35/83/745303583.db2.gz NTOXVIMXYYWRIG-GXTWGEPZSA-N 1 3 336.436 0.751 20 0 ECADHO Cc1noc(CCCN2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001028263508 751992013 /nfs/dbraw/zinc/99/20/13/751992013.db2.gz QUCHAQBHDMLLEF-OAHLLOKOSA-N 1 3 347.463 0.987 20 0 ECADHO CN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001000198993 745336798 /nfs/dbraw/zinc/33/67/98/745336798.db2.gz MQPXMLJCIDZZCB-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)N2CCC[C@H](NCC(N)=O)C2)cc1 ZINC001000204011 745344436 /nfs/dbraw/zinc/34/44/36/745344436.db2.gz YGDWSOGKXPDSLX-INIZCTEOSA-N 1 3 332.448 0.470 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CCC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC001027547387 745351242 /nfs/dbraw/zinc/35/12/42/745351242.db2.gz XWHGHSJVPUYAFH-CABCVRRESA-N 1 3 348.447 0.766 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CCC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001027547387 745351244 /nfs/dbraw/zinc/35/12/44/745351244.db2.gz XWHGHSJVPUYAFH-CABCVRRESA-N 1 3 348.447 0.766 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1CCc1ccnn1C ZINC001088571963 751996770 /nfs/dbraw/zinc/99/67/70/751996770.db2.gz SUCLGFUSAARBBY-OLMNPRSZSA-N 1 3 345.491 0.883 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001000311190 745419860 /nfs/dbraw/zinc/41/98/60/745419860.db2.gz GOUMFIOAMCMPAL-JSGCOSHPSA-N 1 3 329.408 0.312 20 0 ECADHO CN1CC[C@@H](N2CCC(C3(NC(=O)[C@@H]4CC[N@H+](C)C4)CC3)CC2)C1=O ZINC001000334604 745434831 /nfs/dbraw/zinc/43/48/31/745434831.db2.gz ZRNQNAAYYCKKKF-GDBMZVCRSA-N 1 3 348.491 0.530 20 0 ECADHO CN1CC[C@@H](N2CCC(C3(NC(=O)[C@@H]4CC[N@@H+](C)C4)CC3)CC2)C1=O ZINC001000334604 745434835 /nfs/dbraw/zinc/43/48/35/745434835.db2.gz ZRNQNAAYYCKKKF-GDBMZVCRSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001000592834 745622474 /nfs/dbraw/zinc/62/24/74/745622474.db2.gz FFCBOYKEJHPMSI-HOTGVXAUSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)N1CC[C@H](N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000713247 745716666 /nfs/dbraw/zinc/71/66/66/745716666.db2.gz WIKMEYNPONIQLB-CVEARBPZSA-N 1 3 348.491 0.672 20 0 ECADHO c1cc(-c2noc([C@@H]3C[NH2+]C[C@@H]4CCO[C@H]43)n2)nc2c1CNCC2 ZINC001211932175 752037234 /nfs/dbraw/zinc/03/72/34/752037234.db2.gz SLZYSADVVXREDP-YWPYICTPSA-N 1 3 327.388 0.869 20 0 ECADHO CO[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978145 745947617 /nfs/dbraw/zinc/94/76/17/745947617.db2.gz SOATWMDKWOUNNI-HCMQPCSISA-N 1 3 349.475 0.633 20 0 ECADHO CO[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978145 745947619 /nfs/dbraw/zinc/94/76/19/745947619.db2.gz SOATWMDKWOUNNI-HCMQPCSISA-N 1 3 349.475 0.633 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001029399133 746035398 /nfs/dbraw/zinc/03/53/98/746035398.db2.gz KAQZYQMRUOYERM-FNYPPERVSA-N 1 3 331.460 0.935 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001029399133 746035406 /nfs/dbraw/zinc/03/54/06/746035406.db2.gz KAQZYQMRUOYERM-FNYPPERVSA-N 1 3 331.460 0.935 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001059351949 746178689 /nfs/dbraw/zinc/17/86/89/746178689.db2.gz LYGKNJHFBVIRER-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978324316 746180210 /nfs/dbraw/zinc/18/02/10/746180210.db2.gz WSXBARFXUSIXAB-JONQDZQNSA-N 1 3 348.491 0.420 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978316634 746196681 /nfs/dbraw/zinc/19/66/81/746196681.db2.gz BPFWLDXZKBBLBI-YHUYYLMFSA-N 1 3 348.491 0.291 20 0 ECADHO Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)cn1 ZINC000978430902 746314102 /nfs/dbraw/zinc/31/41/02/746314102.db2.gz UGYZSTBEGKESPU-OSYLJGHBSA-N 1 3 343.475 0.843 20 0 ECADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001001415787 746355437 /nfs/dbraw/zinc/35/54/37/746355437.db2.gz SPBYGKURHZJSQX-JKSUJKDBSA-N 1 3 336.480 0.420 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000984411846 746412988 /nfs/dbraw/zinc/41/29/88/746412988.db2.gz OIPASVYKSWSJLY-OAHLLOKOSA-N 1 3 345.447 0.497 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)nn1 ZINC000984799764 746955430 /nfs/dbraw/zinc/95/54/30/746955430.db2.gz JWKRWJARJJIVKA-DZKIICNBSA-N 1 3 347.463 0.954 20 0 ECADHO CC[C@@H](C(=O)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC001002083616 746959921 /nfs/dbraw/zinc/95/99/21/746959921.db2.gz LARDRNMTIGHCST-HOTGVXAUSA-N 1 3 336.480 0.243 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC000984802858 746973545 /nfs/dbraw/zinc/97/35/45/746973545.db2.gz DHWWOUGCFCBLOE-KKUMJFAQSA-N 1 3 334.468 0.624 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CCc1ccnn1C ZINC001088577296 752146910 /nfs/dbraw/zinc/14/69/10/752146910.db2.gz LMHFYGICMWEHKI-SRABZTEZSA-N 1 3 333.480 0.882 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CCc1ccnn1C ZINC001088577296 752146913 /nfs/dbraw/zinc/14/69/13/752146913.db2.gz LMHFYGICMWEHKI-SRABZTEZSA-N 1 3 333.480 0.882 20 0 ECADHO COc1cc(CNC[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC000985040593 747294736 /nfs/dbraw/zinc/29/47/36/747294736.db2.gz QZFYRUNZDOUJHV-JOCQHMNTSA-N 1 3 334.420 0.763 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000985120836 747409945 /nfs/dbraw/zinc/40/99/45/747409945.db2.gz ZEIZNJAWVDHZAN-UMVBOHGHSA-N 1 3 333.436 0.421 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985120836 747409949 /nfs/dbraw/zinc/40/99/49/747409949.db2.gz ZEIZNJAWVDHZAN-UMVBOHGHSA-N 1 3 333.436 0.421 20 0 ECADHO C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000979305995 747575316 /nfs/dbraw/zinc/57/53/16/747575316.db2.gz BKNQPHXNOGVTAK-YOEHRIQHSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H](NCc1ccnn1C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC000979369690 747695595 /nfs/dbraw/zinc/69/55/95/747695595.db2.gz JKRUKZSVTJBZFI-WMLDXEAASA-N 1 3 349.479 0.467 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001002811541 747818047 /nfs/dbraw/zinc/81/80/47/747818047.db2.gz OQMRWFHSYMDYHP-RDJZCZTQSA-N 1 3 346.479 0.733 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001002811541 747818054 /nfs/dbraw/zinc/81/80/54/747818054.db2.gz OQMRWFHSYMDYHP-RDJZCZTQSA-N 1 3 346.479 0.733 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)CCn2cncn2)CC1)C1CC1 ZINC000985466674 748173715 /nfs/dbraw/zinc/17/37/15/748173715.db2.gz FLSRYAJDDMZISK-MRXNPFEDSA-N 1 3 334.468 0.541 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1)C1CC1 ZINC000985466674 748173716 /nfs/dbraw/zinc/17/37/16/748173716.db2.gz FLSRYAJDDMZISK-MRXNPFEDSA-N 1 3 334.468 0.541 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)C12CCC[NH+](CCC1)C2 ZINC001003135247 748217999 /nfs/dbraw/zinc/21/79/99/748217999.db2.gz SEYHGMJGPMTODJ-UHFFFAOYSA-N 1 3 346.479 0.735 20 0 ECADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000985494597 748298427 /nfs/dbraw/zinc/29/84/27/748298427.db2.gz UOLVYDKSNBBKPH-MRXNPFEDSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@H]1CCNC1=O ZINC001029776550 748342949 /nfs/dbraw/zinc/34/29/49/748342949.db2.gz DCHDUDWPKIZYLT-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO CN(CC(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001003334526 748437841 /nfs/dbraw/zinc/43/78/41/748437841.db2.gz WQTZEXHRLLMQGI-UHFFFAOYSA-N 1 3 334.464 0.141 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001067626194 748512433 /nfs/dbraw/zinc/51/24/33/748512433.db2.gz CBTWMSYVVAQIDE-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001067626194 748512439 /nfs/dbraw/zinc/51/24/39/748512439.db2.gz CBTWMSYVVAQIDE-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001003482474 748601205 /nfs/dbraw/zinc/60/12/05/748601205.db2.gz ICIAGIHSCREGKV-INIZCTEOSA-N 1 3 348.495 0.981 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001003482474 748601206 /nfs/dbraw/zinc/60/12/06/748601206.db2.gz ICIAGIHSCREGKV-INIZCTEOSA-N 1 3 348.495 0.981 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@H]1CCCNC1=O ZINC001029823449 748614806 /nfs/dbraw/zinc/61/48/06/748614806.db2.gz CUMYCWKHCMNCMX-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C1 ZINC001003628996 748741807 /nfs/dbraw/zinc/74/18/07/748741807.db2.gz WHWWUODPZBNNMH-WBVHZDCISA-N 1 3 349.479 0.166 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001003635380 748747895 /nfs/dbraw/zinc/74/78/95/748747895.db2.gz PFBLJWUAFIYXMX-YOEHRIQHSA-N 1 3 333.480 0.741 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001003635380 748747902 /nfs/dbraw/zinc/74/79/02/748747902.db2.gz PFBLJWUAFIYXMX-YOEHRIQHSA-N 1 3 333.480 0.741 20 0 ECADHO C[NH+]1CCC(CC(=O)NC2CCN(CCn3cncn3)CC2)CC1 ZINC001003739198 748846858 /nfs/dbraw/zinc/84/68/58/748846858.db2.gz ABVQUVZJTYKXNK-UHFFFAOYSA-N 1 3 334.468 0.591 20 0 ECADHO CN(CC(N)=O)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000985701764 748894306 /nfs/dbraw/zinc/89/43/06/748894306.db2.gz MJFFLYUOGDHLJU-UHFFFAOYSA-N 1 3 332.448 0.770 20 0 ECADHO Cn1nccc1CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886587 749111991 /nfs/dbraw/zinc/11/19/91/749111991.db2.gz VPNONZDZEJPNTG-QZTJIDSGSA-N 1 3 345.491 0.885 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@@H]3CN(CC(N)=O)C[C@H]3C2)CC1 ZINC000980183560 749131454 /nfs/dbraw/zinc/13/14/54/749131454.db2.gz HAZQXRUMLAISDS-BZUAXINKSA-N 1 3 336.480 0.420 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC001088425551 749161105 /nfs/dbraw/zinc/16/11/05/749161105.db2.gz XYRKAJOISHWGJQ-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC001088425551 749161107 /nfs/dbraw/zinc/16/11/07/749161107.db2.gz XYRKAJOISHWGJQ-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059674950 749345629 /nfs/dbraw/zinc/34/56/29/749345629.db2.gz XNMGGYVTXZGNDC-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001059674950 749345638 /nfs/dbraw/zinc/34/56/38/749345638.db2.gz XNMGGYVTXZGNDC-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO COc1nccc(CNCC2(CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001168137544 749516367 /nfs/dbraw/zinc/51/63/67/749516367.db2.gz OTPSOEFHRDKLGF-CQSZACIVSA-N 1 3 347.463 0.813 20 0 ECADHO COc1nccc(CNCC2(CCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001168137544 749516371 /nfs/dbraw/zinc/51/63/71/749516371.db2.gz OTPSOEFHRDKLGF-CQSZACIVSA-N 1 3 347.463 0.813 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1)C1CC1 ZINC001004456342 749522469 /nfs/dbraw/zinc/52/24/69/749522469.db2.gz DOKVRRSWJPABGW-RDJZCZTQSA-N 1 3 336.480 0.515 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1)C1CC1 ZINC001004456342 749522478 /nfs/dbraw/zinc/52/24/78/749522478.db2.gz DOKVRRSWJPABGW-RDJZCZTQSA-N 1 3 336.480 0.515 20 0 ECADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC(N)=O)CC2)CCC1 ZINC001004456378 749522813 /nfs/dbraw/zinc/52/28/13/749522813.db2.gz FLGJCJABAJYTSR-OAHLLOKOSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@H+]3CC(N)=O)CC2)CCC1 ZINC001004456378 749522816 /nfs/dbraw/zinc/52/28/16/749522816.db2.gz FLGJCJABAJYTSR-OAHLLOKOSA-N 1 3 336.480 0.659 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004618449 749695154 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CN(C(=O)CN1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001049171100 758211495 /nfs/dbraw/zinc/21/14/95/758211495.db2.gz KHZMKXAOHXWWJL-OAGGEKHMSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C(=O)CN1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001049171100 758211503 /nfs/dbraw/zinc/21/15/03/758211503.db2.gz KHZMKXAOHXWWJL-OAGGEKHMSA-N 1 3 348.491 0.339 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049173830 758218269 /nfs/dbraw/zinc/21/82/69/758218269.db2.gz IQIXNPIRSYIEHQ-YHUYYLMFSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049173830 758218280 /nfs/dbraw/zinc/21/82/80/758218280.db2.gz IQIXNPIRSYIEHQ-YHUYYLMFSA-N 1 3 348.491 0.386 20 0 ECADHO Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC2)cn1 ZINC000996617382 758254503 /nfs/dbraw/zinc/25/45/03/758254503.db2.gz ALGMNRPCKZTWPH-SJORKVTESA-N 1 3 347.463 0.364 20 0 ECADHO CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001077128836 758266875 /nfs/dbraw/zinc/26/68/75/758266875.db2.gz HLLFNFHGMVNAMD-IXDOHACOSA-N 1 3 339.480 0.447 20 0 ECADHO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001077128836 758266883 /nfs/dbraw/zinc/26/68/83/758266883.db2.gz HLLFNFHGMVNAMD-IXDOHACOSA-N 1 3 339.480 0.447 20 0 ECADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128836 758266887 /nfs/dbraw/zinc/26/68/87/758266887.db2.gz HLLFNFHGMVNAMD-IXDOHACOSA-N 1 3 339.480 0.447 20 0 ECADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128836 758266894 /nfs/dbraw/zinc/26/68/94/758266894.db2.gz HLLFNFHGMVNAMD-IXDOHACOSA-N 1 3 339.480 0.447 20 0 ECADHO Cn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CN4CCC[C@H]4CO3)C2)cn1 ZINC001022121173 758306935 /nfs/dbraw/zinc/30/69/35/758306935.db2.gz ZELRKGZUGNZYHZ-VVLHAWIVSA-N 1 3 347.463 0.063 20 0 ECADHO Cc1ccncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001022121839 758307013 /nfs/dbraw/zinc/30/70/13/758307013.db2.gz MEYXUNPPTRYJFD-XDNAFOTISA-N 1 3 344.459 0.990 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001077182237 758433129 /nfs/dbraw/zinc/43/31/29/758433129.db2.gz HBXYENZZTYNCCT-ZFWWWQNUSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001077182115 758433591 /nfs/dbraw/zinc/43/35/91/758433591.db2.gz AOHLHNHOZDMZSJ-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC000996675538 758442812 /nfs/dbraw/zinc/44/28/12/758442812.db2.gz ZOEZKJKTOAKQKU-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CN1CCCC1 ZINC001011770909 758533808 /nfs/dbraw/zinc/53/38/08/758533808.db2.gz GVQVJVQLHUYQDC-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1nsc(C)c1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780427 758659133 /nfs/dbraw/zinc/65/91/33/758659133.db2.gz YVEAACLLNRVZPB-DZGCQCFKSA-N 1 3 338.477 0.829 20 0 ECADHO Cc1nsc(C)c1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780427 758659138 /nfs/dbraw/zinc/65/91/38/758659138.db2.gz YVEAACLLNRVZPB-DZGCQCFKSA-N 1 3 338.477 0.829 20 0 ECADHO CN(CC(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001060322097 762662385 /nfs/dbraw/zinc/66/23/85/762662385.db2.gz SUYNUYCEBZHPHF-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO COCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049609721 758989726 /nfs/dbraw/zinc/98/97/26/758989726.db2.gz HWGBLODZFZMUDH-FNYPPERVSA-N 1 3 349.475 0.561 20 0 ECADHO COCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049609721 758989731 /nfs/dbraw/zinc/98/97/31/758989731.db2.gz HWGBLODZFZMUDH-FNYPPERVSA-N 1 3 349.475 0.561 20 0 ECADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107038758 759488161 /nfs/dbraw/zinc/48/81/61/759488161.db2.gz GAIJSMIMOUIGID-HZPDHXFCSA-N 1 3 340.512 0.879 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001047769009 759504154 /nfs/dbraw/zinc/50/41/54/759504154.db2.gz OWWZCLZHFVRGGG-DZKIICNBSA-N 1 3 347.463 0.790 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001047769009 759504159 /nfs/dbraw/zinc/50/41/59/759504159.db2.gz OWWZCLZHFVRGGG-DZKIICNBSA-N 1 3 347.463 0.790 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001107039234 759510405 /nfs/dbraw/zinc/51/04/05/759510405.db2.gz NVFXDINJSHZLPC-GDBMZVCRSA-N 1 3 338.496 0.537 20 0 ECADHO CC(C)N1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001054296828 767905167 /nfs/dbraw/zinc/90/51/67/767905167.db2.gz UWOGXKYSKVMCPF-OWCLPIDISA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001054298008 767907957 /nfs/dbraw/zinc/90/79/57/767907957.db2.gz PTDSZOPOOMQLPB-BZUAXINKSA-N 1 3 338.496 0.774 20 0 ECADHO CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050237534 760024783 /nfs/dbraw/zinc/02/47/83/760024783.db2.gz SBPHOMXVXJLCIW-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2cnn(C)n2)CC1 ZINC001050366153 760186425 /nfs/dbraw/zinc/18/64/25/760186425.db2.gz PJTZYRKXAIGWCY-JKQORVJESA-N 1 3 348.495 0.777 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2cnn(C)n2)CC1 ZINC001050366153 760186428 /nfs/dbraw/zinc/18/64/28/760186428.db2.gz PJTZYRKXAIGWCY-JKQORVJESA-N 1 3 348.495 0.777 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001048276689 760203980 /nfs/dbraw/zinc/20/39/80/760203980.db2.gz IDGXDDGGXARHQM-UONOGXRCSA-N 1 3 334.468 0.484 20 0 ECADHO Cn1cc(CNC[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001050389739 760217993 /nfs/dbraw/zinc/21/79/93/760217993.db2.gz IJEGXKAFHPGRTF-KKUMJFAQSA-N 1 3 334.468 0.531 20 0 ECADHO Cn1cc(CNC[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001050389739 760218001 /nfs/dbraw/zinc/21/80/01/760218001.db2.gz IJEGXKAFHPGRTF-KKUMJFAQSA-N 1 3 334.468 0.531 20 0 ECADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1cn(C)nn1 ZINC001048368186 760388465 /nfs/dbraw/zinc/38/84/65/760388465.db2.gz JTHQQNZFMZKABM-DZGCQCFKSA-N 1 3 334.468 0.341 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050520765 760418918 /nfs/dbraw/zinc/41/89/18/760418918.db2.gz JRVBAFBDNOKEJV-JKSUJKDBSA-N 1 3 348.491 0.517 20 0 ECADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CNCc1cn(C)nn1 ZINC001048396435 760437249 /nfs/dbraw/zinc/43/72/49/760437249.db2.gz MIADOGKNARXVGZ-ZBFHGGJFSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)CN1CCCC1 ZINC001012622197 760453236 /nfs/dbraw/zinc/45/32/36/760453236.db2.gz SKQBILGHPDYQFE-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050542660 760461126 /nfs/dbraw/zinc/46/11/26/760461126.db2.gz IUASUQHYBFTGLL-HIFRSBDPSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050544239 760464952 /nfs/dbraw/zinc/46/49/52/760464952.db2.gz PBGHJYSKPGRDCY-AWEZNQCLSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2)C1CC1 ZINC001050547169 760470515 /nfs/dbraw/zinc/47/05/15/760470515.db2.gz XAZFSSCTRLFKIV-HOTGVXAUSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995799033 760623161 /nfs/dbraw/zinc/62/31/61/760623161.db2.gz QWDBHYIHPJCORL-CVEARBPZSA-N 1 3 348.495 0.978 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001127066357 760689147 /nfs/dbraw/zinc/68/91/47/760689147.db2.gz MEQVORILAKPLGZ-MRXNPFEDSA-N 1 3 332.448 0.864 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001127066357 760689154 /nfs/dbraw/zinc/68/91/54/760689154.db2.gz MEQVORILAKPLGZ-MRXNPFEDSA-N 1 3 332.448 0.864 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048563284 760724666 /nfs/dbraw/zinc/72/46/66/760724666.db2.gz WHFZLWIYYHDVHS-LJIZCISZSA-N 1 3 336.480 0.289 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C2 ZINC001048563284 760724669 /nfs/dbraw/zinc/72/46/69/760724669.db2.gz WHFZLWIYYHDVHS-LJIZCISZSA-N 1 3 336.480 0.289 20 0 ECADHO CN(CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1)C1CCC1 ZINC000995917669 760772932 /nfs/dbraw/zinc/77/29/32/760772932.db2.gz LOJBFVNHQCBOJX-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cc(CNC[C@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001048624388 760809000 /nfs/dbraw/zinc/80/90/00/760809000.db2.gz PPMSLXYRKFWVGB-BZUAXINKSA-N 1 3 348.495 0.779 20 0 ECADHO Cn1cc(CNC[C@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001048624388 760809011 /nfs/dbraw/zinc/80/90/11/760809011.db2.gz PPMSLXYRKFWVGB-BZUAXINKSA-N 1 3 348.495 0.779 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001106249570 768015117 /nfs/dbraw/zinc/01/51/17/768015117.db2.gz KYRNHTZJOYOSBC-ZTFGCOKTSA-N 1 3 347.507 0.987 20 0 ECADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281956 768065636 /nfs/dbraw/zinc/06/56/36/768065636.db2.gz MYHZQLHRTQQHDF-ZACQAIPSSA-N 1 3 343.512 0.920 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001051314491 761874531 /nfs/dbraw/zinc/87/45/31/761874531.db2.gz NOYDECWNBMXTGP-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001014481964 762740907 /nfs/dbraw/zinc/74/09/07/762740907.db2.gz BCHDZWRVDLAGNE-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001014481964 762740911 /nfs/dbraw/zinc/74/09/11/762740911.db2.gz BCHDZWRVDLAGNE-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccccc1 ZINC001127660457 763150781 /nfs/dbraw/zinc/15/07/81/763150781.db2.gz XCSHGWOKRQDSTI-BFYDXBDKSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccccc1 ZINC001127660457 763150786 /nfs/dbraw/zinc/15/07/86/763150786.db2.gz XCSHGWOKRQDSTI-BFYDXBDKSA-N 1 3 346.475 0.737 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@](C)(C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001046903084 763350662 /nfs/dbraw/zinc/35/06/62/763350662.db2.gz OAFSVAUPSSUCRU-KBXCAEBGSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(NC[C@H]1CN(CCCO)CCC1(F)F)C12CC[NH+](CC1)C2 ZINC001046989625 763522013 /nfs/dbraw/zinc/52/20/13/763522013.db2.gz CNMQPXBANZOJPT-ZDUSSCGKSA-N 1 3 331.407 0.538 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCC[C@H](C)C2)CC[N@@H+]1C ZINC001127695596 763563549 /nfs/dbraw/zinc/56/35/49/763563549.db2.gz QUBHCHFSKDBTJB-HRCADAONSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCC[C@H](C)C2)CC[N@H+]1C ZINC001127695596 763563554 /nfs/dbraw/zinc/56/35/54/763563554.db2.gz QUBHCHFSKDBTJB-HRCADAONSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](C(=O)N1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC001017585676 768155251 /nfs/dbraw/zinc/15/52/51/768155251.db2.gz POGJNVWUQFSTFQ-MRXNPFEDSA-N 1 3 348.491 0.697 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1C(=O)Cc1c[nH]cn1 ZINC001015084291 763846825 /nfs/dbraw/zinc/84/68/25/763846825.db2.gz KFOMVAQDKKTYFC-ZFWWWQNUSA-N 1 3 345.447 0.544 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1)N(C)C ZINC000991849059 763966928 /nfs/dbraw/zinc/96/69/28/763966928.db2.gz DILXOOOWDCQBJC-HNNXBMFYSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CN(CCOC2CCC2)C[C@@H]1O ZINC001047324772 764000611 /nfs/dbraw/zinc/00/06/11/764000611.db2.gz XTLKYSMXDXAXPR-JYJNAYRXSA-N 1 3 325.453 0.153 20 0 ECADHO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(CCOC2CCC2)C[C@@H]1O ZINC001047324772 764000621 /nfs/dbraw/zinc/00/06/21/764000621.db2.gz XTLKYSMXDXAXPR-JYJNAYRXSA-N 1 3 325.453 0.153 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC001054739022 768214587 /nfs/dbraw/zinc/21/45/87/768214587.db2.gz RSRKBODDCAHLOE-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000991895730 764464976 /nfs/dbraw/zinc/46/49/76/764464976.db2.gz SXVWHQMSIRCTOU-CJNGLKHVSA-N 1 3 334.464 0.140 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CN(CCCF)C[C@@H]2O)C1 ZINC001047498282 764513663 /nfs/dbraw/zinc/51/36/63/764513663.db2.gz OBWYWSAGQHDOSC-PMPSAXMXSA-N 1 3 329.460 0.972 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CN(CCCF)C[C@@H]2O)C1 ZINC001047498282 764513666 /nfs/dbraw/zinc/51/36/66/764513666.db2.gz OBWYWSAGQHDOSC-PMPSAXMXSA-N 1 3 329.460 0.972 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CCc1ccnn1C ZINC001088980626 764685314 /nfs/dbraw/zinc/68/53/14/764685314.db2.gz NGUZGVJORULXNW-VYDXJSESSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CCc1ccnn1C ZINC001088980626 764685321 /nfs/dbraw/zinc/68/53/21/764685321.db2.gz NGUZGVJORULXNW-VYDXJSESSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C)C(N)=O ZINC001107028614 764736811 /nfs/dbraw/zinc/73/68/11/764736811.db2.gz FIUFXHBYLXBLBC-CKEIUWERSA-N 1 3 346.475 0.920 20 0 ECADHO O=C(N[C@@H]1CCC[N@@H+](CCCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001052570444 764776666 /nfs/dbraw/zinc/77/66/66/764776666.db2.gz AUSINPJJXZCQIF-GARNVTTQSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(N[C@@H]1CCC[N@H+](CCCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001052570444 764776678 /nfs/dbraw/zinc/77/66/78/764776678.db2.gz AUSINPJJXZCQIF-GARNVTTQSA-N 1 3 337.464 0.203 20 0 ECADHO CCn1cc(CCN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cn1 ZINC001089038659 764854924 /nfs/dbraw/zinc/85/49/24/764854924.db2.gz GHAWEQQOUPYXGT-PVAVHDDUSA-N 1 3 333.480 0.976 20 0 ECADHO CCn1cc(CCN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)cn1 ZINC001089038659 764854937 /nfs/dbraw/zinc/85/49/37/764854937.db2.gz GHAWEQQOUPYXGT-PVAVHDDUSA-N 1 3 333.480 0.976 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001047622873 764908253 /nfs/dbraw/zinc/90/82/53/764908253.db2.gz 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CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001077496940 765674265 /nfs/dbraw/zinc/67/42/65/765674265.db2.gz MTLGRZJLVNKGDE-UXLLHSPISA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001077496940 765674273 /nfs/dbraw/zinc/67/42/73/765674273.db2.gz MTLGRZJLVNKGDE-UXLLHSPISA-N 1 3 340.512 0.925 20 0 ECADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001053290878 765919514 /nfs/dbraw/zinc/91/95/14/765919514.db2.gz WRWXQHIUSCICTG-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001017738785 768337415 /nfs/dbraw/zinc/33/74/15/768337415.db2.gz WSUBVZDKFHDFKR-CJNGLKHVSA-N 1 3 345.447 0.425 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001017738785 768337423 /nfs/dbraw/zinc/33/74/23/768337423.db2.gz WSUBVZDKFHDFKR-CJNGLKHVSA-N 1 3 345.447 0.425 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[C@@H](C2)N3CCn2cncn2)C1 ZINC001045878142 766459251 /nfs/dbraw/zinc/45/92/51/766459251.db2.gz JSTGAOUSNZGJQP-BBWFWOEESA-N 1 3 346.479 0.685 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[C@@H](C2)N3CCn2cncn2)C1 ZINC001045878142 766459258 /nfs/dbraw/zinc/45/92/58/766459258.db2.gz JSTGAOUSNZGJQP-BBWFWOEESA-N 1 3 346.479 0.685 20 0 ECADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127253925 766475708 /nfs/dbraw/zinc/47/57/08/766475708.db2.gz APEDEFRJKMYMLH-HZPDHXFCSA-N 1 3 336.480 0.435 20 0 ECADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127253925 766475722 /nfs/dbraw/zinc/47/57/22/766475722.db2.gz APEDEFRJKMYMLH-HZPDHXFCSA-N 1 3 336.480 0.435 20 0 ECADHO C[NH+](C)C[C@H]1CN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CCO1 ZINC000914123315 767045583 /nfs/dbraw/zinc/04/55/83/767045583.db2.gz NYPVWEPPHPDIEN-GJZGRUSLSA-N 1 3 331.482 0.065 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2ccco2)CC[N@@H+]1C ZINC001127644124 767393529 /nfs/dbraw/zinc/39/35/29/767393529.db2.gz VTGDAMXLCSRNGU-UKRRQHHQSA-N 1 3 336.436 0.284 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2ccco2)CC[N@H+]1C ZINC001127644124 767393540 /nfs/dbraw/zinc/39/35/40/767393540.db2.gz VTGDAMXLCSRNGU-UKRRQHHQSA-N 1 3 336.436 0.284 20 0 ECADHO CC(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CN3CCCC3)C2)nn1 ZINC001098780378 767625355 /nfs/dbraw/zinc/62/53/55/767625355.db2.gz UOTLYLWUVBADLC-INIZCTEOSA-N 1 3 334.468 0.893 20 0 ECADHO CN(C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCCNC1=O ZINC001017250696 767770108 /nfs/dbraw/zinc/77/01/08/767770108.db2.gz IBBRMWBKIVXYHC-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO CN1CC[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001017263535 767785401 /nfs/dbraw/zinc/78/54/01/767785401.db2.gz GRUHQQPGUQKJEA-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001017263535 767785403 /nfs/dbraw/zinc/78/54/03/767785403.db2.gz GRUHQQPGUQKJEA-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCn3cncn3)C2)C1)N(C)C ZINC001054198708 767797028 /nfs/dbraw/zinc/79/70/28/767797028.db2.gz DVOCITYEPFUWAX-WMZOPIPTSA-N 1 3 348.495 0.933 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCn3cncn3)C2)C1)N(C)C ZINC001054198708 767797030 /nfs/dbraw/zinc/79/70/30/767797030.db2.gz DVOCITYEPFUWAX-WMZOPIPTSA-N 1 3 348.495 0.933 20 0 ECADHO CC(=O)NC1CCN(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001055603576 769237047 /nfs/dbraw/zinc/23/70/47/769237047.db2.gz GNQJMQLMWBDJHS-UHFFFAOYSA-N 1 3 329.404 0.665 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000993961973 769900218 /nfs/dbraw/zinc/90/02/18/769900218.db2.gz VNSPBJNTGUOZBV-IRXDYDNUSA-N 1 3 348.491 0.815 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000993961973 769900225 /nfs/dbraw/zinc/90/02/25/769900225.db2.gz VNSPBJNTGUOZBV-IRXDYDNUSA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000993944024 769920786 /nfs/dbraw/zinc/92/07/86/769920786.db2.gz CKCKCQMZKAZHBZ-HOTGVXAUSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000993944024 769920791 /nfs/dbraw/zinc/92/07/91/769920791.db2.gz CKCKCQMZKAZHBZ-HOTGVXAUSA-N 1 3 336.480 0.671 20 0 ECADHO COCCN1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993987146 769967127 /nfs/dbraw/zinc/96/71/27/769967127.db2.gz LWGJUWVMPURWGN-HOCLYGCPSA-N 1 3 337.468 0.674 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001018835878 770048204 /nfs/dbraw/zinc/04/82/04/770048204.db2.gz PJBFAGZNTXKGPI-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001018835878 770048217 /nfs/dbraw/zinc/04/82/17/770048217.db2.gz PJBFAGZNTXKGPI-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](NCc3cccnc3)C2)n1 ZINC001018861273 770124202 /nfs/dbraw/zinc/12/42/02/770124202.db2.gz REQHZYXIQAUPBV-INIZCTEOSA-N 1 3 342.447 0.844 20 0 ECADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)n[nH]1 ZINC001018961953 770407129 /nfs/dbraw/zinc/40/71/29/770407129.db2.gz ZGTRNLKHSSAEIB-CABCVRRESA-N 1 3 334.468 0.782 20 0 ECADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)n[nH]1 ZINC001018961953 770407132 /nfs/dbraw/zinc/40/71/32/770407132.db2.gz ZGTRNLKHSSAEIB-CABCVRRESA-N 1 3 334.468 0.782 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001018962988 770412373 /nfs/dbraw/zinc/41/23/73/770412373.db2.gz SYSRHUXOWMYKAM-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001018962988 770412375 /nfs/dbraw/zinc/41/23/75/770412375.db2.gz SYSRHUXOWMYKAM-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083749645 770560515 /nfs/dbraw/zinc/56/05/15/770560515.db2.gz KDQDCZQJUHJEFL-OIISXLGYSA-N 1 3 339.480 0.306 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)C1 ZINC001019038220 770626856 /nfs/dbraw/zinc/62/68/56/770626856.db2.gz LXYIMUDYEVZOLL-CVEARBPZSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)C1 ZINC001019038220 770626860 /nfs/dbraw/zinc/62/68/60/770626860.db2.gz LXYIMUDYEVZOLL-CVEARBPZSA-N 1 3 348.491 0.341 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CCC2(CN(C(=O)CN3CCCC3)C2)C1)C1CC1 ZINC001019040422 770637762 /nfs/dbraw/zinc/63/77/62/770637762.db2.gz ARCUXDJPLWJFBI-QGZVFWFLSA-N 1 3 348.491 0.483 20 0 ECADHO CN(CC(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001078411519 782896289 /nfs/dbraw/zinc/89/62/89/782896289.db2.gz PCMMPXGQIIZCPH-KRWDZBQOSA-N 1 3 349.479 0.612 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001019386634 771236427 /nfs/dbraw/zinc/23/64/27/771236427.db2.gz RZPYWJNLVJTTIH-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC[NH+](C)C ZINC001056442141 771271313 /nfs/dbraw/zinc/27/13/13/771271313.db2.gz AJAGTPWCFBYHDQ-HOTGVXAUSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056549234 771374025 /nfs/dbraw/zinc/37/40/25/771374025.db2.gz XRPMOCGTLYVKKI-HRCADAONSA-N 1 3 338.496 0.870 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC1 ZINC001019560384 771486982 /nfs/dbraw/zinc/48/69/82/771486982.db2.gz CUXLLTJQNZCLEV-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN(C(=O)CN[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001019659909 771683406 /nfs/dbraw/zinc/68/34/06/771683406.db2.gz RLTNAEAHZHOEIH-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)c1 ZINC001019810993 771826275 /nfs/dbraw/zinc/82/62/75/771826275.db2.gz UQJKCPUAUVQLNF-DLBZAZTESA-N 1 3 344.459 0.831 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001020151258 772220601 /nfs/dbraw/zinc/22/06/01/772220601.db2.gz QJHRRJBBYCAQOZ-FPCVCCKLSA-N 1 3 346.479 0.909 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001020151258 772220603 /nfs/dbraw/zinc/22/06/03/772220603.db2.gz QJHRRJBBYCAQOZ-FPCVCCKLSA-N 1 3 346.479 0.909 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020162063 772231657 /nfs/dbraw/zinc/23/16/57/772231657.db2.gz YPLQHQICARVCOV-DZKIICNBSA-N 1 3 332.452 0.377 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178777 772249010 /nfs/dbraw/zinc/24/90/10/772249010.db2.gz DSXQUNIDLNTZPG-JKQORVJESA-N 1 3 345.447 0.385 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178777 772249011 /nfs/dbraw/zinc/24/90/11/772249011.db2.gz DSXQUNIDLNTZPG-JKQORVJESA-N 1 3 345.447 0.385 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001020179338 772251601 /nfs/dbraw/zinc/25/16/01/772251601.db2.gz XTGCJVBBZUBPJO-QBPKDAKJSA-N 1 3 330.432 0.682 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCC[C@@H]1C)N(C)C ZINC001078467786 783004887 /nfs/dbraw/zinc/00/48/87/783004887.db2.gz OCSZDWHRPPMPKL-SOUVJXGZSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC[C@@H]1C)N(C)C ZINC001078467786 783004893 /nfs/dbraw/zinc/00/48/93/783004893.db2.gz OCSZDWHRPPMPKL-SOUVJXGZSA-N 1 3 326.485 0.822 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406466 772550169 /nfs/dbraw/zinc/55/01/69/772550169.db2.gz VUUDVHISQMHXEJ-MICIKVRCSA-N 1 3 342.443 0.682 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020407039 772551256 /nfs/dbraw/zinc/55/12/56/772551256.db2.gz LHEFNCLOWWUPPH-RDGXSEFMSA-N 1 3 349.475 0.656 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749679 774575962 /nfs/dbraw/zinc/57/59/62/774575962.db2.gz KMJBVTZHZMMCFC-UKRRQHHQSA-N 1 3 330.436 0.898 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001045201126 775129464 /nfs/dbraw/zinc/12/94/64/775129464.db2.gz VKTCIMJDXVMDQY-RDJZCZTQSA-N 1 3 346.475 0.950 20 0 ECADHO CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001045276228 775299151 /nfs/dbraw/zinc/29/91/51/775299151.db2.gz CNLYYCUPXLHEDM-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)c1 ZINC001045321675 775411446 /nfs/dbraw/zinc/41/14/46/775411446.db2.gz GWOSFMZPBARASC-IRXDYDNUSA-N 1 3 344.459 0.831 20 0 ECADHO CC1(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC[NH+](CCCO)CC1 ZINC001045444763 775616871 /nfs/dbraw/zinc/61/68/71/775616871.db2.gz WICWSYRKSMTWAB-CABCVRRESA-N 1 3 325.453 0.203 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001079816620 776930330 /nfs/dbraw/zinc/93/03/30/776930330.db2.gz MMUWQPLAYUDFGG-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079816620 776930335 /nfs/dbraw/zinc/93/03/35/776930335.db2.gz MMUWQPLAYUDFGG-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001080146877 777465271 /nfs/dbraw/zinc/46/52/71/777465271.db2.gz WVIOPNKXPAERII-HOTGVXAUSA-N 1 3 340.512 0.972 20 0 ECADHO C[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559138 778030269 /nfs/dbraw/zinc/03/02/69/778030269.db2.gz WSGCGOOBEYLVLO-GDBMZVCRSA-N 1 3 334.468 0.447 20 0 ECADHO CCN(C(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001080559411 778033386 /nfs/dbraw/zinc/03/33/86/778033386.db2.gz FANUYULDTVIDCN-OAHLLOKOSA-N 1 3 348.491 0.483 20 0 ECADHO CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC001080561114 778042628 /nfs/dbraw/zinc/04/26/28/778042628.db2.gz NRQOZQIVMXPSLL-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC001080561114 778042641 /nfs/dbraw/zinc/04/26/41/778042641.db2.gz NRQOZQIVMXPSLL-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001079068208 780742182 /nfs/dbraw/zinc/74/21/82/780742182.db2.gz FPVMJDADKJTWPH-OAHLLOKOSA-N 1 3 335.452 0.743 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001077655796 781435692 /nfs/dbraw/zinc/43/56/92/781435692.db2.gz HOYIPPJRJPBSKI-LSDHHAIUSA-N 1 3 340.512 0.925 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001077661636 781451212 /nfs/dbraw/zinc/45/12/12/781451212.db2.gz AYEJJCXSNQCJBJ-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001077661636 781451218 /nfs/dbraw/zinc/45/12/18/781451218.db2.gz AYEJJCXSNQCJBJ-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO CN1CC[C@H](N2CC[C@]3(CCN(C(=O)C4CC[NH+](C)CC4)C3)C2)C1=O ZINC001041626503 781880852 /nfs/dbraw/zinc/88/08/52/781880852.db2.gz UYKOKCWEKKBZKO-LPHOPBHVSA-N 1 3 348.491 0.483 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040780127 783426065 /nfs/dbraw/zinc/42/60/65/783426065.db2.gz SQDZFERBIQPCAD-WUJZJPHMSA-N 1 3 349.475 0.156 20 0 ECADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070213733 783670901 /nfs/dbraw/zinc/67/09/01/783670901.db2.gz VJMDQKDHVNKRAC-PMPSAXMXSA-N 1 3 336.484 0.862 20 0 ECADHO CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1NCc1cn(C)nn1 ZINC001037970326 783744264 /nfs/dbraw/zinc/74/42/64/783744264.db2.gz ZZTUTJBEGAPDJK-GDBMZVCRSA-N 1 3 346.479 0.628 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCc2ccncc2O[C@H]2CCN(CCO)C2)C1 ZINC001070388490 783937179 /nfs/dbraw/zinc/93/71/79/783937179.db2.gz IMSUPBZSLAMKRI-CVEARBPZSA-N 1 3 348.447 0.095 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCc2ccncc2O[C@H]2CCN(CCO)C2)C1 ZINC001070388490 783937187 /nfs/dbraw/zinc/93/71/87/783937187.db2.gz IMSUPBZSLAMKRI-CVEARBPZSA-N 1 3 348.447 0.095 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001071013700 784414217 /nfs/dbraw/zinc/41/42/17/784414217.db2.gz KXHGMSLYOFEBQX-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001071013700 784414221 /nfs/dbraw/zinc/41/42/21/784414221.db2.gz KXHGMSLYOFEBQX-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001071346502 784986643 /nfs/dbraw/zinc/98/66/43/784986643.db2.gz SPQXPNXGICHEER-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001071346502 784986651 /nfs/dbraw/zinc/98/66/51/784986651.db2.gz SPQXPNXGICHEER-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001072621621 788450822 /nfs/dbraw/zinc/45/08/22/788450822.db2.gz DAQXRVZZVMPXDA-IUODEOHRSA-N 1 3 347.463 0.566 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001072626457 788462915 /nfs/dbraw/zinc/46/29/15/788462915.db2.gz HWTALRKAOKECHS-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001075031348 788756145 /nfs/dbraw/zinc/75/61/45/788756145.db2.gz FQWBQMYYJLKGKS-HUUCEWRRSA-N 1 3 326.485 0.774 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001075136621 788963223 /nfs/dbraw/zinc/96/32/23/788963223.db2.gz FLNRZMINTQXNBQ-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001075136904 788964040 /nfs/dbraw/zinc/96/40/40/788964040.db2.gz JHCHWWBCBGQTFZ-KGLIPLIRSA-N 1 3 347.463 0.790 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](C[C@H]1C[C@@]13CCOC3)C2 ZINC001073016309 789278643 /nfs/dbraw/zinc/27/86/43/789278643.db2.gz SNQXOWFMLWOZER-RDTXWAMCSA-N 1 3 330.432 0.913 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](C[C@H]1C[C@@]13CCOC3)C2 ZINC001073016309 789278653 /nfs/dbraw/zinc/27/86/53/789278653.db2.gz SNQXOWFMLWOZER-RDTXWAMCSA-N 1 3 330.432 0.913 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(CCn2cncn2)C3)C1 ZINC001073127824 789487698 /nfs/dbraw/zinc/48/76/98/789487698.db2.gz HOGLCNPEEGTPID-OAHLLOKOSA-N 1 3 332.452 0.154 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(CCn2cncn2)C3)C1 ZINC001073127824 789487703 /nfs/dbraw/zinc/48/77/03/789487703.db2.gz HOGLCNPEEGTPID-OAHLLOKOSA-N 1 3 332.452 0.154 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001073426112 789824205 /nfs/dbraw/zinc/82/42/05/789824205.db2.gz QGZGSLHUAZMMCH-OAHLLOKOSA-N 1 3 334.464 0.095 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001073426112 789824206 /nfs/dbraw/zinc/82/42/06/789824206.db2.gz QGZGSLHUAZMMCH-OAHLLOKOSA-N 1 3 334.464 0.095 20 0 ECADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069929027 790201304 /nfs/dbraw/zinc/20/13/04/790201304.db2.gz QQYLSCYIEUBPAI-BBWFWOEESA-N 1 3 344.463 0.371 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930463 790203528 /nfs/dbraw/zinc/20/35/28/790203528.db2.gz KEJIRMSRXXQTQS-DZUCGIPZSA-N 1 3 346.479 0.760 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930463 790203531 /nfs/dbraw/zinc/20/35/31/790203531.db2.gz KEJIRMSRXXQTQS-DZUCGIPZSA-N 1 3 346.479 0.760 20 0 ECADHO CN(CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001067831680 792340728 /nfs/dbraw/zinc/34/07/28/792340728.db2.gz PNJOFTBNDARLLM-AWEZNQCLSA-N 1 3 335.452 0.601 20 0 ECADHO CN(CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001067831680 792340738 /nfs/dbraw/zinc/34/07/38/792340738.db2.gz PNJOFTBNDARLLM-AWEZNQCLSA-N 1 3 335.452 0.601 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001068082004 792650039 /nfs/dbraw/zinc/65/00/39/792650039.db2.gz YQQFOKDMSSPZLI-HNNXBMFYSA-N 1 3 326.485 0.587 20 0 ECADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC001408610322 837466595 /nfs/dbraw/zinc/46/65/95/837466595.db2.gz HZWKUROYMWNPRB-SOUVJXGZSA-N 1 3 326.485 0.632 20 0 ECADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC001408610322 837466602 /nfs/dbraw/zinc/46/66/02/837466602.db2.gz HZWKUROYMWNPRB-SOUVJXGZSA-N 1 3 326.485 0.632 20 0 ECADHO CCCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266243815 835550110 /nfs/dbraw/zinc/55/01/10/835550110.db2.gz CKCHXTSUODNTOU-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CCCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266243815 835550114 /nfs/dbraw/zinc/55/01/14/835550114.db2.gz CKCHXTSUODNTOU-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CCCCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266545048 835966362 /nfs/dbraw/zinc/96/63/62/835966362.db2.gz DEDWLHXFEMYNPH-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CN(CCNCC(=O)N(C)CC1CC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266702125 836167842 /nfs/dbraw/zinc/16/78/42/836167842.db2.gz PLLSOEIXHXVURH-MRXNPFEDSA-N 1 3 336.480 0.245 20 0 ECADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001408569308 836857176 /nfs/dbraw/zinc/85/71/76/836857176.db2.gz CLZWCHAFORIJNV-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001408569308 836857181 /nfs/dbraw/zinc/85/71/81/836857181.db2.gz CLZWCHAFORIJNV-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001408569307 836857495 /nfs/dbraw/zinc/85/74/95/836857495.db2.gz CLZWCHAFORIJNV-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001408569307 836857502 /nfs/dbraw/zinc/85/75/02/836857502.db2.gz CLZWCHAFORIJNV-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCN1C)CC(=O)N1CCCC1 ZINC001267239822 837048313 /nfs/dbraw/zinc/04/83/13/837048313.db2.gz QLLZELHPJHZAJX-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)CC(=O)N1CCCC1 ZINC001267239822 837048322 /nfs/dbraw/zinc/04/83/22/837048322.db2.gz QLLZELHPJHZAJX-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO COCCOCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267597736 837904529 /nfs/dbraw/zinc/90/45/29/837904529.db2.gz HGRQILJQMOIHRF-QGZVFWFLSA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267597736 837904532 /nfs/dbraw/zinc/90/45/32/837904532.db2.gz HGRQILJQMOIHRF-QGZVFWFLSA-N 1 3 341.496 0.914 20 0 ECADHO CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCOCCO)C1 ZINC001267786915 838566251 /nfs/dbraw/zinc/56/62/51/838566251.db2.gz RLHBCVWOJGWFAL-IAGOWNOFSA-N 1 3 339.480 0.260 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001408845119 838640177 /nfs/dbraw/zinc/64/01/77/838640177.db2.gz OZNLBVRYOCDLNO-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H](CC)N(C)C ZINC001408868503 838856304 /nfs/dbraw/zinc/85/63/04/838856304.db2.gz NVSANCDWXMFAOI-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H](CC)N(C)C ZINC001408868503 838856310 /nfs/dbraw/zinc/85/63/10/838856310.db2.gz NVSANCDWXMFAOI-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000423062406 290718861 /nfs/dbraw/zinc/71/88/61/290718861.db2.gz MWQDEEQMQWPDED-OAHLLOKOSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000355296365 299232933 /nfs/dbraw/zinc/23/29/33/299232933.db2.gz GZNUZVAMAALYHQ-HUUCEWRRSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)N1CCN(C)CC1 ZINC000355485208 299258677 /nfs/dbraw/zinc/25/86/77/299258677.db2.gz YKQAMKXKVBAOMT-IRXDYDNUSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)N1CCN(C)CC1 ZINC000355485208 299258679 /nfs/dbraw/zinc/25/86/79/299258679.db2.gz YKQAMKXKVBAOMT-IRXDYDNUSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000418261193 295958337 /nfs/dbraw/zinc/95/83/37/295958337.db2.gz PTRNABJCCHRWCE-WDEREUQCSA-N 1 3 325.379 0.072 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000420031643 291195657 /nfs/dbraw/zinc/19/56/57/291195657.db2.gz HKXWPKDCFDDWRS-TZMCWYRMSA-N 1 3 340.468 0.016 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420214763 209343373 /nfs/dbraw/zinc/34/33/73/209343373.db2.gz KDZIPYOUHRJRMH-KRWDZBQOSA-N 1 3 348.491 0.889 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000420161822 209326845 /nfs/dbraw/zinc/32/68/45/209326845.db2.gz GZHDEWDTDPKJAJ-UHFFFAOYSA-N 1 3 348.491 0.889 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420141029 209319164 /nfs/dbraw/zinc/31/91/64/209319164.db2.gz RCBPGKFJBKESEP-UHFFFAOYSA-N 1 3 338.496 0.849 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000418849336 283602068 /nfs/dbraw/zinc/60/20/68/283602068.db2.gz MOYHOWKUOVKTNK-SJORKVTESA-N 1 3 346.475 0.343 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000420100058 209306279 /nfs/dbraw/zinc/30/62/79/209306279.db2.gz MYEZFBGRQFIZMN-KBPBESRZSA-N 1 3 326.485 0.857 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000420097926 209304462 /nfs/dbraw/zinc/30/44/62/209304462.db2.gz CSZHPGGUKDLZOF-GJZGRUSLSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420096425 209305008 /nfs/dbraw/zinc/30/50/08/209305008.db2.gz INLYUCYAVSYIDV-IIDMSEBBSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000420020248 209279165 /nfs/dbraw/zinc/27/91/65/209279165.db2.gz DZTJABOBRQUISA-OAHLLOKOSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000420020248 209279170 /nfs/dbraw/zinc/27/91/70/209279170.db2.gz DZTJABOBRQUISA-OAHLLOKOSA-N 1 3 346.475 0.820 20 0 ECADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419982104 209268582 /nfs/dbraw/zinc/26/85/82/209268582.db2.gz SRHQTUDPMYJADE-HOTGVXAUSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419952908 209258784 /nfs/dbraw/zinc/25/87/84/209258784.db2.gz KGYSEHOFLPKYJS-HNNXBMFYSA-N 1 3 338.496 0.812 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419940214 209254477 /nfs/dbraw/zinc/25/44/77/209254477.db2.gz ZDGXKIWQFKLIEH-MRXNPFEDSA-N 1 3 334.464 0.993 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419839698 209220862 /nfs/dbraw/zinc/22/08/62/209220862.db2.gz HTSYRWOIBQPHBH-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO [NH3+]CCCCNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419836953 209219650 /nfs/dbraw/zinc/21/96/50/209219650.db2.gz YZHFRJWJDJCOQG-UHFFFAOYSA-N 1 3 338.496 0.956 20 0 ECADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)NCCC[NH3+])CC1 ZINC000419737437 209192866 /nfs/dbraw/zinc/19/28/66/209192866.db2.gz YCUQUZZZINAGEZ-CQSZACIVSA-N 1 3 332.448 0.793 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419698404 284053201 /nfs/dbraw/zinc/05/32/01/284053201.db2.gz SICLICXMFHRVOH-OAHLLOKOSA-N 1 3 348.491 0.722 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419698431 209175382 /nfs/dbraw/zinc/17/53/82/209175382.db2.gz SLJYMSLIYZIVLZ-HUUCEWRRSA-N 1 3 336.480 0.625 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419694275 209174443 /nfs/dbraw/zinc/17/44/43/209174443.db2.gz KFDXZYIGIQVQSE-GJZGRUSLSA-N 1 3 336.480 0.707 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419652886 209159109 /nfs/dbraw/zinc/15/91/09/209159109.db2.gz QCMZHHSOEDYHMH-AWEZNQCLSA-N 1 3 334.464 0.910 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000419624773 209148631 /nfs/dbraw/zinc/14/86/31/209148631.db2.gz AMEGKOCZFPGDQH-MRXNPFEDSA-N 1 3 332.448 0.623 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000460081263 284340666 /nfs/dbraw/zinc/34/06/66/284340666.db2.gz LPGHPRRLYRFGGN-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000460081263 284340669 /nfs/dbraw/zinc/34/06/69/284340669.db2.gz LPGHPRRLYRFGGN-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CCSC1 ZINC000419592309 209134072 /nfs/dbraw/zinc/13/40/72/209134072.db2.gz WOZFVXGSZVNLCA-MRXNPFEDSA-N 1 3 342.509 0.318 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000419590245 209134249 /nfs/dbraw/zinc/13/42/49/209134249.db2.gz TZBGBSVMMCHGAT-BBRMVZONSA-N 1 3 342.509 0.046 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)cc1 ZINC000419575177 209130560 /nfs/dbraw/zinc/13/05/60/209130560.db2.gz AGKJHDOSHUGOPB-CHWSQXEVSA-N 1 3 332.448 0.921 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000419576583 209130078 /nfs/dbraw/zinc/13/00/78/209130078.db2.gz CHYITYOGMLOUJI-HEHGZKQESA-N 1 3 342.509 0.126 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000423264288 284616922 /nfs/dbraw/zinc/61/69/22/284616922.db2.gz PTRNZYXDOCWXBG-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO CCN(CC)CCC[C@@H](C)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000357178390 299532315 /nfs/dbraw/zinc/53/23/15/299532315.db2.gz RPLVQEZURJTGHY-CQSZACIVSA-N 1 3 347.525 0.780 20 0 ECADHO C[C@H](NCCCO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268734972 252184125 /nfs/dbraw/zinc/18/41/25/252184125.db2.gz VLNWUEUVKRPGFD-AWEZNQCLSA-N 1 3 343.493 0.950 20 0 ECADHO COC[C@]1(CNC(=O)CC2(N3CCOCC3)CCCC2)CCC[NH2+]1 ZINC000357267498 299552787 /nfs/dbraw/zinc/55/27/87/299552787.db2.gz FLHVVSFOHDAQGK-QGZVFWFLSA-N 1 3 339.480 0.906 20 0 ECADHO CCCN(C)CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000412473710 208239499 /nfs/dbraw/zinc/23/94/99/208239499.db2.gz KSQUATJUSHEQTI-UHFFFAOYSA-N 1 3 326.485 0.241 20 0 ECADHO CCOC(=O)Cn1nc(C)c(CNCCCN2CC[NH2+]CC2)c1C ZINC000414774371 208431296 /nfs/dbraw/zinc/43/12/96/208431296.db2.gz AZZXVYYKZSGHFI-UHFFFAOYSA-N 1 3 337.468 0.448 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000430714499 210398680 /nfs/dbraw/zinc/39/86/80/210398680.db2.gz OQSPXQSDNDYUQI-KRWDZBQOSA-N 1 3 346.475 0.615 20 0 ECADHO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC(C[NH3+])CC1 ZINC000430637602 210391821 /nfs/dbraw/zinc/39/18/21/210391821.db2.gz CTSMYMCRCWRASO-AWEZNQCLSA-N 1 3 348.447 0.623 20 0 ECADHO CN(CCC(=O)N1CCN(c2ncccn2)CC1)CC(C)(C)C[NH3+] ZINC000430566283 210383046 /nfs/dbraw/zinc/38/30/46/210383046.db2.gz CHBLKZMMTBXQDZ-UHFFFAOYSA-N 1 3 334.468 0.432 20 0 ECADHO C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CC(C)(C)CN ZINC000430566283 210383049 /nfs/dbraw/zinc/38/30/49/210383049.db2.gz CHBLKZMMTBXQDZ-UHFFFAOYSA-N 1 3 334.468 0.432 20 0 ECADHO C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CC(C)(C)CN ZINC000430566283 210383053 /nfs/dbraw/zinc/38/30/53/210383053.db2.gz CHBLKZMMTBXQDZ-UHFFFAOYSA-N 1 3 334.468 0.432 20 0 ECADHO NC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430558648 210381000 /nfs/dbraw/zinc/38/10/00/210381000.db2.gz WFDWAFDLWXLJHF-LBPRGKRZSA-N 1 3 326.422 0.086 20 0 ECADHO NC[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430558648 210381001 /nfs/dbraw/zinc/38/10/01/210381001.db2.gz WFDWAFDLWXLJHF-LBPRGKRZSA-N 1 3 326.422 0.086 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1=O ZINC000429182341 210303854 /nfs/dbraw/zinc/30/38/54/210303854.db2.gz MLTUPJBSICQEQU-KLHDSHLOSA-N 1 3 336.480 0.515 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418341002 208797579 /nfs/dbraw/zinc/79/75/79/208797579.db2.gz GYQWOKYGMLEPRB-JKSUJKDBSA-N 1 3 326.485 0.768 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418871889 208889440 /nfs/dbraw/zinc/88/94/40/208889440.db2.gz FLYKRTCXZWPFLT-BBWFWOEESA-N 1 3 346.475 0.519 20 0 ECADHO CCN1CCC[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175668954 285231543 /nfs/dbraw/zinc/23/15/43/285231543.db2.gz WPZQELMRIMNSMI-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1NC(=O)O[C@H]1C ZINC000496194382 285247907 /nfs/dbraw/zinc/24/79/07/285247907.db2.gz OQITVEJUFZVNJM-BFHYXJOUSA-N 1 3 326.441 0.358 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1NC(=O)O[C@H]1C ZINC000496194382 285247908 /nfs/dbraw/zinc/24/79/08/285247908.db2.gz OQITVEJUFZVNJM-BFHYXJOUSA-N 1 3 326.441 0.358 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccn(C)c1=O ZINC000264256366 285281104 /nfs/dbraw/zinc/28/11/04/285281104.db2.gz SDHQCHSCJCLANB-HNNXBMFYSA-N 1 3 334.464 0.873 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccn(C)c1=O ZINC000264256366 285281105 /nfs/dbraw/zinc/28/11/05/285281105.db2.gz SDHQCHSCJCLANB-HNNXBMFYSA-N 1 3 334.464 0.873 20 0 ECADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000419196995 209020172 /nfs/dbraw/zinc/02/01/72/209020172.db2.gz BFICLZKHVGIJKV-QGZVFWFLSA-N 1 3 346.475 0.997 20 0 ECADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000419196995 209020176 /nfs/dbraw/zinc/02/01/76/209020176.db2.gz BFICLZKHVGIJKV-QGZVFWFLSA-N 1 3 346.475 0.997 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419230996 209033622 /nfs/dbraw/zinc/03/36/22/209033622.db2.gz QUPOIOINUQCNGC-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419282754 209049438 /nfs/dbraw/zinc/04/94/38/209049438.db2.gz IRYIQXRJOUFTID-OLZOCXBDSA-N 1 3 328.457 0.064 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419282754 209049441 /nfs/dbraw/zinc/04/94/41/209049441.db2.gz IRYIQXRJOUFTID-OLZOCXBDSA-N 1 3 328.457 0.064 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000419327310 209061909 /nfs/dbraw/zinc/06/19/09/209061909.db2.gz ZJSXEZGUKNAWGQ-IVMMDQJWSA-N 1 3 330.432 0.544 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300577 285345883 /nfs/dbraw/zinc/34/58/83/285345883.db2.gz WUHMWOMESJPBMP-QWHCGFSZSA-N 1 3 326.441 0.311 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000410789073 285383036 /nfs/dbraw/zinc/38/30/36/285383036.db2.gz HBRZIWLRPZUTDU-XHSDSOJGSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000410789073 285383037 /nfs/dbraw/zinc/38/30/37/285383037.db2.gz HBRZIWLRPZUTDU-XHSDSOJGSA-N 1 3 338.496 0.728 20 0 ECADHO COC(=O)c1c(C)[nH]c(C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000104532928 296635341 /nfs/dbraw/zinc/63/53/41/296635341.db2.gz KIZCAYXOQPACRJ-UHFFFAOYSA-N 1 3 338.452 0.984 20 0 ECADHO CC(C)N1CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC000155151014 296700320 /nfs/dbraw/zinc/70/03/20/296700320.db2.gz FCOHKVZLKDBXSC-CQSZACIVSA-N 1 3 327.473 0.131 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000249402231 165197924 /nfs/dbraw/zinc/19/79/24/165197924.db2.gz CGPMREDIADDJJF-QLFBSQMISA-N 1 3 342.484 0.947 20 0 ECADHO COCCN(C)c1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000261947724 165267333 /nfs/dbraw/zinc/26/73/33/165267333.db2.gz NMYWGMAKDCFPKI-INIZCTEOSA-N 1 3 349.479 0.451 20 0 ECADHO COCCN(C)c1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000261947726 165267377 /nfs/dbraw/zinc/26/73/77/165267377.db2.gz NMYWGMAKDCFPKI-MRXNPFEDSA-N 1 3 349.479 0.451 20 0 ECADHO CN[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1cnn(C)c1 ZINC000262028638 165278978 /nfs/dbraw/zinc/27/89/78/165278978.db2.gz BFAFSBSFWJYLAC-INIZCTEOSA-N 1 3 336.484 0.070 20 0 ECADHO CN[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)c1cnn(C)c1 ZINC000262028638 165278980 /nfs/dbraw/zinc/27/89/80/165278980.db2.gz BFAFSBSFWJYLAC-INIZCTEOSA-N 1 3 336.484 0.070 20 0 ECADHO CCOC(=O)Cn1nc(C)c(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000262168711 165303337 /nfs/dbraw/zinc/30/33/37/165303337.db2.gz UWDQQNIRAYTXBZ-INIZCTEOSA-N 1 3 349.479 0.543 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000331405123 296927686 /nfs/dbraw/zinc/92/76/86/296927686.db2.gz DYSIRASIDNQDIO-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000122213244 222038684 /nfs/dbraw/zinc/03/86/84/222038684.db2.gz VDMIECVOYCBMTO-ZDUSSCGKSA-N 1 3 328.457 0.640 20 0 ECADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000122213244 222038689 /nfs/dbraw/zinc/03/86/89/222038689.db2.gz VDMIECVOYCBMTO-ZDUSSCGKSA-N 1 3 328.457 0.640 20 0 ECADHO CC(C)[NH+](CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(C)C ZINC000173706871 263149387 /nfs/dbraw/zinc/14/93/87/263149387.db2.gz UCAHWRFFEZWGTG-HNNXBMFYSA-N 1 3 326.485 0.632 20 0 ECADHO CCN(CCO)CCNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187212413 263160122 /nfs/dbraw/zinc/16/01/22/263160122.db2.gz KVNNYACTKZXHMZ-OWCLPIDISA-N 1 3 328.501 0.966 20 0 ECADHO CCN(CCO)CCNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187212413 263160123 /nfs/dbraw/zinc/16/01/23/263160123.db2.gz KVNNYACTKZXHMZ-OWCLPIDISA-N 1 3 328.501 0.966 20 0 ECADHO C[C@H](CNC(=O)c1ccoc1CC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000270842158 263278554 /nfs/dbraw/zinc/27/85/54/263278554.db2.gz WOLYVHGRSSKNOX-QWHCGFSZSA-N 1 3 338.452 0.568 20 0 ECADHO C[C@H](CNC(=O)c1ccoc1CC(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000270842158 263278555 /nfs/dbraw/zinc/27/85/55/263278555.db2.gz WOLYVHGRSSKNOX-QWHCGFSZSA-N 1 3 338.452 0.568 20 0 ECADHO C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)cn1)N(C)C ZINC000298609716 265267069 /nfs/dbraw/zinc/26/70/69/265267069.db2.gz JMENHKZVGCEBKF-QWHCGFSZSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)N(C)C)cn1)[NH+](C)C ZINC000298609716 265267073 /nfs/dbraw/zinc/26/70/73/265267073.db2.gz JMENHKZVGCEBKF-QWHCGFSZSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@H]1N(C)C ZINC000459933008 287843247 /nfs/dbraw/zinc/84/32/47/287843247.db2.gz LOLZLADJGIAOQG-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000418851410 277300593 /nfs/dbraw/zinc/30/05/93/277300593.db2.gz PUTOYYNQIQGCTF-HOTGVXAUSA-N 1 3 332.448 0.096 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419429487 277749623 /nfs/dbraw/zinc/74/96/23/277749623.db2.gz UVKPCMURHMZNPI-GJZGRUSLSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000419967670 279135435 /nfs/dbraw/zinc/13/54/35/279135435.db2.gz BPXONBKFWMQQFM-LSDHHAIUSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418825589 279135492 /nfs/dbraw/zinc/13/54/92/279135492.db2.gz ADSOMCYIJHVKQJ-IAGOWNOFSA-N 1 3 348.491 0.765 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000410806608 279177829 /nfs/dbraw/zinc/17/78/29/279177829.db2.gz FIUUOTOUFRVTSF-GOSISDBHSA-N 1 3 338.496 0.731 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000418862212 279290177 /nfs/dbraw/zinc/29/01/77/279290177.db2.gz GTDPMTFYMSOTSA-QQFBHYJXSA-N 1 3 338.496 0.951 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COC[C@@H]1OC ZINC000459312660 279302665 /nfs/dbraw/zinc/30/26/65/279302665.db2.gz JXPNSRNUFVKHHZ-OAGGEKHMSA-N 1 3 342.484 0.458 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COC[C@@H]1OC ZINC000459312660 279302666 /nfs/dbraw/zinc/30/26/66/279302666.db2.gz JXPNSRNUFVKHHZ-OAGGEKHMSA-N 1 3 342.484 0.458 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000419380467 279510494 /nfs/dbraw/zinc/51/04/94/279510494.db2.gz XRFOSEUOZVWYFZ-CVEARBPZSA-N 1 3 340.512 0.973 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420136209 288320229 /nfs/dbraw/zinc/32/02/29/288320229.db2.gz VYEHGBKBWCLAIO-PMPSAXMXSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C(=O)NCCN)C1 ZINC000419364010 288479150 /nfs/dbraw/zinc/47/91/50/288479150.db2.gz WKFGHXCYRXQTPH-HUUCEWRRSA-N 1 3 346.475 0.856 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419139133 288863894 /nfs/dbraw/zinc/86/38/94/288863894.db2.gz SAXXWHWKVJUFLB-IGQOVBAYSA-N 1 3 340.468 0.205 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC([NH3+])CC2)Cc2ccccc2C1 ZINC000419373759 289042861 /nfs/dbraw/zinc/04/28/61/289042861.db2.gz NCOAARFQNXAVSB-UHFFFAOYSA-N 1 3 344.459 0.152 20 0 ECADHO CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1 ZINC000154527944 289159963 /nfs/dbraw/zinc/15/99/63/289159963.db2.gz JPBIKNNKCRFXCF-SJORKVTESA-N 1 3 346.475 0.816 20 0 ECADHO CN(C)C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccc(F)cc1 ZINC000418771867 289188922 /nfs/dbraw/zinc/18/89/22/289188922.db2.gz WNIREBZDNVCTDN-HZPDHXFCSA-N 1 3 337.443 0.631 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419968469 289620320 /nfs/dbraw/zinc/62/03/20/289620320.db2.gz PZHGYJQRZLNLAC-INIZCTEOSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)CN1CCN(C)CC1 ZINC000189961348 437614461 /nfs/dbraw/zinc/61/44/61/437614461.db2.gz QLFLUXNUTHZXRE-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO CN1CCN(CCCNC(=O)COC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000431025165 290042086 /nfs/dbraw/zinc/04/20/86/290042086.db2.gz XTMFUEPVQMIXMZ-GOSISDBHSA-N 1 3 346.475 0.470 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)CCCCC1 ZINC000332087166 297000052 /nfs/dbraw/zinc/00/00/52/297000052.db2.gz IAWXVOXLZODBEM-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000332366856 297035058 /nfs/dbraw/zinc/03/50/58/297035058.db2.gz UHEOASFDLNBKHY-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000332366854 297035154 /nfs/dbraw/zinc/03/51/54/297035154.db2.gz UHEOASFDLNBKHY-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO [NH3+]C1CCC(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CC1 ZINC000419884143 295210737 /nfs/dbraw/zinc/21/07/37/295210737.db2.gz XFFFLNHBYYMIOF-GPANFISMSA-N 1 3 336.480 0.849 20 0 ECADHO CS[C@@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@H]1N(C)C ZINC000416026626 295645060 /nfs/dbraw/zinc/64/50/60/295645060.db2.gz IAWOUNYFFBYTQR-OPRDCNLKSA-N 1 3 328.404 0.953 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)N3CCNC(C)(C)C3)CC2)CC1 ZINC000333945287 297156613 /nfs/dbraw/zinc/15/66/13/297156613.db2.gz SPWGFYFPUWSCMN-UHFFFAOYSA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000337148144 297182104 /nfs/dbraw/zinc/18/21/04/297182104.db2.gz ZZQYSHKLXQJHKT-IRXDYDNUSA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000337148144 297182105 /nfs/dbraw/zinc/18/21/05/297182105.db2.gz ZZQYSHKLXQJHKT-IRXDYDNUSA-N 1 3 337.512 0.938 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000337718528 297209001 /nfs/dbraw/zinc/20/90/01/297209001.db2.gz MXVHIRCWYHSRQC-QGZVFWFLSA-N 1 3 344.500 0.488 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339742916 297376697 /nfs/dbraw/zinc/37/66/97/297376697.db2.gz MXUBNADERHGGNW-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000340432867 297481599 /nfs/dbraw/zinc/48/15/99/297481599.db2.gz NIXWTDRIVYRJSB-MRXNPFEDSA-N 1 3 342.509 0.094 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000346112380 298228827 /nfs/dbraw/zinc/22/88/27/298228827.db2.gz PXNLCYUCSRVGET-DVZHBHJUSA-N 1 3 334.464 0.327 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000346112380 298228829 /nfs/dbraw/zinc/22/88/29/298228829.db2.gz PXNLCYUCSRVGET-DVZHBHJUSA-N 1 3 334.464 0.327 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@H]1C[C@H](C)C[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346167553 298232137 /nfs/dbraw/zinc/23/21/37/298232137.db2.gz FZIBBNPRNLBWFC-QRJUGERDSA-N 1 3 340.512 0.781 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H](C)C[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000346167553 298232140 /nfs/dbraw/zinc/23/21/40/298232140.db2.gz FZIBBNPRNLBWFC-QRJUGERDSA-N 1 3 340.512 0.781 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000346532644 298288346 /nfs/dbraw/zinc/28/83/46/298288346.db2.gz PGCCKDIUFMRXOE-BHTHQVBYSA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000346532644 298288348 /nfs/dbraw/zinc/28/83/48/298288348.db2.gz PGCCKDIUFMRXOE-BHTHQVBYSA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000346532644 298288351 /nfs/dbraw/zinc/28/83/51/298288351.db2.gz PGCCKDIUFMRXOE-BHTHQVBYSA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000346532644 298288353 /nfs/dbraw/zinc/28/83/53/298288353.db2.gz PGCCKDIUFMRXOE-BHTHQVBYSA-N 1 3 334.464 0.184 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCCS(=O)(=O)NC)[C@H](C)C1 ZINC000346541386 298290217 /nfs/dbraw/zinc/29/02/17/298290217.db2.gz DVZYOUKFKQEVMY-CABCVRRESA-N 1 3 335.514 0.652 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCCS(=O)(=O)NC)[C@H](C)C1 ZINC000346541386 298290219 /nfs/dbraw/zinc/29/02/19/298290219.db2.gz DVZYOUKFKQEVMY-CABCVRRESA-N 1 3 335.514 0.652 20 0 ECADHO C[C@H](CC(N)=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267264326 298351282 /nfs/dbraw/zinc/35/12/82/298351282.db2.gz QUWFZMRCOFXWJX-CJNGLKHVSA-N 1 3 332.448 0.737 20 0 ECADHO C[C@H](CC(N)=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267264326 298351284 /nfs/dbraw/zinc/35/12/84/298351284.db2.gz QUWFZMRCOFXWJX-CJNGLKHVSA-N 1 3 332.448 0.737 20 0 ECADHO COCCOc1cccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000347028723 298389706 /nfs/dbraw/zinc/38/97/06/298389706.db2.gz VYJOKJGFWYLWCN-INIZCTEOSA-N 1 3 335.448 0.999 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000347048475 298393905 /nfs/dbraw/zinc/39/39/05/298393905.db2.gz LXLZXCVVSUHOBO-LSDHHAIUSA-N 1 3 328.457 0.117 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000347048475 298393906 /nfs/dbraw/zinc/39/39/06/298393906.db2.gz LXLZXCVVSUHOBO-LSDHHAIUSA-N 1 3 328.457 0.117 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1=O ZINC000353446129 299049584 /nfs/dbraw/zinc/04/95/84/299049584.db2.gz ZHYGGOWHARLZQN-JKSUJKDBSA-N 1 3 336.480 0.245 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000361323745 300083023 /nfs/dbraw/zinc/08/30/23/300083023.db2.gz ITMPSNQEZMSXSF-HUUCEWRRSA-N 1 3 327.469 0.162 20 0 ECADHO COC(=O)CCCN1CCC([NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000361464707 300098422 /nfs/dbraw/zinc/09/84/22/300098422.db2.gz SFMOYFJXAFMBEX-MRXNPFEDSA-N 1 3 327.469 0.450 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@H]3CSCC[NH2+]3)C2)CC1 ZINC000370787802 300861039 /nfs/dbraw/zinc/86/10/39/300861039.db2.gz OMKGFOIAYOJOQN-HOTGVXAUSA-N 1 3 340.537 0.708 20 0 ECADHO CC[NH+](CC)CCOC1CCN(CCCN2C(=O)CNC2=O)CC1 ZINC000080645573 436325828 /nfs/dbraw/zinc/32/58/28/436325828.db2.gz GVAMIZZUKGOSOG-UHFFFAOYSA-N 1 3 340.468 0.751 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])C(=O)NCCN(C)C ZINC000517028997 301692841 /nfs/dbraw/zinc/69/28/41/301692841.db2.gz UKBUNTMEZXUTSC-RDBSUJKOSA-N 1 3 329.489 0.504 20 0 ECADHO CCOC(=O)NCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051463970 436490131 /nfs/dbraw/zinc/49/01/31/436490131.db2.gz OIQGOSJTIQQMNH-UHFFFAOYSA-N 1 3 326.441 0.407 20 0 ECADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000535011904 302115897 /nfs/dbraw/zinc/11/58/97/302115897.db2.gz QRPKUGCETSMCDB-QGZVFWFLSA-N 1 3 331.464 0.362 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(-n2cncn2)c1 ZINC000115371139 436646557 /nfs/dbraw/zinc/64/65/57/436646557.db2.gz ZHNPOYQICLSCIB-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO C[C@H](NC(=O)NCC1CCN(CCO)CC1)C(C)(C)C[NH+](C)C ZINC000120559446 436691722 /nfs/dbraw/zinc/69/17/22/436691722.db2.gz VRSUELSKAPTPPU-AWEZNQCLSA-N 1 3 328.501 0.966 20 0 ECADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(CC[NH+](C)C)CC1 ZINC000067119454 436705269 /nfs/dbraw/zinc/70/52/69/436705269.db2.gz AZIMRCNUIRHJKG-HOCLYGCPSA-N 1 3 338.496 0.763 20 0 ECADHO Cc1ccn(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(=O)c1 ZINC000194506520 436667117 /nfs/dbraw/zinc/66/71/17/436667117.db2.gz JAUHSMPFODQXHQ-UHFFFAOYSA-N 1 3 346.475 0.832 20 0 ECADHO CC[C@@]1(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC[NH2+]C1 ZINC000119642940 436669095 /nfs/dbraw/zinc/66/90/95/436669095.db2.gz QJJDSNAXMGSTCY-LJQANCHMSA-N 1 3 346.475 0.984 20 0 ECADHO COCCCN1CCC(NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000194833828 436673124 /nfs/dbraw/zinc/67/31/24/436673124.db2.gz YJNCQWDEPKGEBI-UHFFFAOYSA-N 1 3 326.466 0.875 20 0 ECADHO C[C@H]1CC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)C1 ZINC000558554879 302473052 /nfs/dbraw/zinc/47/30/52/302473052.db2.gz ZDCBNUPTDJDMTM-HUUCEWRRSA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)Cc1ccccc1 ZINC000120334410 436684408 /nfs/dbraw/zinc/68/44/08/436684408.db2.gz KQDVKLXBAKYVDQ-FUHWJXTLSA-N 1 3 336.480 0.771 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCC[NH2+]C2CCCCCC2)CC1=O ZINC000237160606 436725378 /nfs/dbraw/zinc/72/53/78/436725378.db2.gz DLMLNNUUVUXJEV-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000153210429 436749997 /nfs/dbraw/zinc/74/99/97/436749997.db2.gz HYHWVMHHHZYICW-MRXNPFEDSA-N 1 3 327.469 0.450 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261886134 436894442 /nfs/dbraw/zinc/89/44/42/436894442.db2.gz ZSAWHLCEPMVBEE-IAGOWNOFSA-N 1 3 346.475 0.969 20 0 ECADHO COCCN(C)CCNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000172749696 437026700 /nfs/dbraw/zinc/02/67/00/437026700.db2.gz HTCMRTXIJCHCIZ-UHFFFAOYSA-N 1 3 348.491 0.893 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCC(C)CC1 ZINC000331394443 437088771 /nfs/dbraw/zinc/08/87/71/437088771.db2.gz KCCVMHGCNNDEPC-OWCLPIDISA-N 1 3 336.480 0.291 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CNCCC1(F)F ZINC000418742527 303373434 /nfs/dbraw/zinc/37/34/34/303373434.db2.gz BZGSXXHVRKAPRN-VXGBXAGGSA-N 1 3 347.410 0.013 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000331483614 437102643 /nfs/dbraw/zinc/10/26/43/437102643.db2.gz XPIDNHZKCGDBAX-FXUDXRNXSA-N 1 3 336.480 0.291 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000175780494 437118136 /nfs/dbraw/zinc/11/81/36/437118136.db2.gz RMCXQTPBQRMOIW-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000331596844 437129110 /nfs/dbraw/zinc/12/91/10/437129110.db2.gz YAAXHVNJLHLJBS-UGUYLWEFSA-N 1 3 336.480 0.574 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000331596844 437129115 /nfs/dbraw/zinc/12/91/15/437129115.db2.gz YAAXHVNJLHLJBS-UGUYLWEFSA-N 1 3 336.480 0.574 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000331993551 437192013 /nfs/dbraw/zinc/19/20/13/437192013.db2.gz ZRXAFPQJKKPMHP-MRXNPFEDSA-N 1 3 336.480 0.849 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000331993549 437192540 /nfs/dbraw/zinc/19/25/40/437192540.db2.gz ZRXAFPQJKKPMHP-INIZCTEOSA-N 1 3 336.480 0.849 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000339583361 437476291 /nfs/dbraw/zinc/47/62/91/437476291.db2.gz UCIRZOLKJHXNHL-HNNXBMFYSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000339583361 437476293 /nfs/dbraw/zinc/47/62/93/437476293.db2.gz UCIRZOLKJHXNHL-HNNXBMFYSA-N 1 3 326.485 0.539 20 0 ECADHO C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)C1=CCN(C)CC1 ZINC000339651971 437485821 /nfs/dbraw/zinc/48/58/21/437485821.db2.gz PJIJFJGXPYYOSN-AWEZNQCLSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000185827820 437454163 /nfs/dbraw/zinc/45/41/63/437454163.db2.gz XNJYQEMRNQRQBB-CABCVRRESA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000185827820 437454166 /nfs/dbraw/zinc/45/41/66/437454166.db2.gz XNJYQEMRNQRQBB-CABCVRRESA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343144697 437515683 /nfs/dbraw/zinc/51/56/83/437515683.db2.gz JIBCPTHOWGFOCB-QLFBSQMISA-N 1 3 326.485 0.489 20 0 ECADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343144697 437515688 /nfs/dbraw/zinc/51/56/88/437515688.db2.gz JIBCPTHOWGFOCB-QLFBSQMISA-N 1 3 326.485 0.489 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000187936540 437518921 /nfs/dbraw/zinc/51/89/21/437518921.db2.gz ILFKMUOFZDDHBV-QWHCGFSZSA-N 1 3 348.403 0.472 20 0 ECADHO CN1CCCN(CCCCCC[N@@H+]2CCCN(C)C(=O)C2)CC1=O ZINC000191115131 437646308 /nfs/dbraw/zinc/64/63/08/437646308.db2.gz DYTYXVPVMVDPBQ-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO CN1CCCN(CCCCCC[N@H+]2CCCN(C)C(=O)C2)CC1=O ZINC000191115131 437646311 /nfs/dbraw/zinc/64/63/11/437646311.db2.gz DYTYXVPVMVDPBQ-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000344028311 437721041 /nfs/dbraw/zinc/72/10/41/437721041.db2.gz MXPKBUQJRTZAHL-ZDUSSCGKSA-N 1 3 338.418 0.965 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000344028311 437721044 /nfs/dbraw/zinc/72/10/44/437721044.db2.gz MXPKBUQJRTZAHL-ZDUSSCGKSA-N 1 3 338.418 0.965 20 0 ECADHO CN(CCCN(C)[C@H]1CCN(CC(F)(F)F)C1=O)CC[NH+](C)C ZINC000344028311 437721046 /nfs/dbraw/zinc/72/10/46/437721046.db2.gz MXPKBUQJRTZAHL-ZDUSSCGKSA-N 1 3 338.418 0.965 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)CN1CCN(C)CC1 ZINC000362073359 437713869 /nfs/dbraw/zinc/71/38/69/437713869.db2.gz VYVCCVQEMJVWIA-HOTGVXAUSA-N 1 3 325.501 0.463 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[NH3+])c(C)c2)CC1 ZINC000415271664 437772013 /nfs/dbraw/zinc/77/20/13/437772013.db2.gz QLGGTTLEUZDMFR-UHFFFAOYSA-N 1 3 333.436 0.150 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CCCN1CCC([NH3+])CC1 ZINC000423751516 437822475 /nfs/dbraw/zinc/82/24/75/437822475.db2.gz VCUKPEHFAIWBNQ-QGZVFWFLSA-N 1 3 340.512 0.759 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC(=O)NC ZINC000341007402 437774682 /nfs/dbraw/zinc/77/46/82/437774682.db2.gz BVEUPVGRMSPZFT-HNNXBMFYSA-N 1 3 341.500 0.570 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC(=O)NC ZINC000341007402 437774687 /nfs/dbraw/zinc/77/46/87/437774687.db2.gz BVEUPVGRMSPZFT-HNNXBMFYSA-N 1 3 341.500 0.570 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000415301265 437778507 /nfs/dbraw/zinc/77/85/07/437778507.db2.gz QAKYEECDMOPFIM-AWEZNQCLSA-N 1 3 348.447 0.694 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCCNCC2)ccc1OCC[NH+](C)C ZINC000415314491 437781449 /nfs/dbraw/zinc/78/14/49/437781449.db2.gz XNQBBYFFSXYDIG-UHFFFAOYSA-N 1 3 348.447 0.696 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCn2ccnc2C)CC1 ZINC000341043230 437781867 /nfs/dbraw/zinc/78/18/67/437781867.db2.gz AHMYBRMUAJBLIM-OAHLLOKOSA-N 1 3 336.484 0.764 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415416745 437798510 /nfs/dbraw/zinc/79/85/10/437798510.db2.gz NXYOLRQOFBEHFF-ZDUSSCGKSA-N 1 3 336.436 0.537 20 0 ECADHO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H](N2CCCC2)C1 ZINC000423674812 437800332 /nfs/dbraw/zinc/80/03/32/437800332.db2.gz AXVZZTCIHZMNIO-OWCLPIDISA-N 1 3 334.464 0.426 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415495129 437813054 /nfs/dbraw/zinc/81/30/54/437813054.db2.gz MZROMLMJUNFYKX-OAHLLOKOSA-N 1 3 348.447 0.776 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415494380 437813108 /nfs/dbraw/zinc/81/31/08/437813108.db2.gz MHDIAEIMSGUIBI-HNNXBMFYSA-N 1 3 332.448 0.940 20 0 ECADHO CCN1CCN(CCC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423969265 437868696 /nfs/dbraw/zinc/86/86/96/437868696.db2.gz IWRZROZIGXHCKO-ZWKOTPCHSA-N 1 3 330.476 0.886 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N(C)CC[NH3+])c2)CC1 ZINC000415882959 437878539 /nfs/dbraw/zinc/87/85/39/437878539.db2.gz YTGQHQFFSYTRHI-UHFFFAOYSA-N 1 3 333.436 0.184 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1CN(C)C ZINC000415671355 437838304 /nfs/dbraw/zinc/83/83/04/437838304.db2.gz JGMVQOLSCYDZNX-GASCZTMLSA-N 1 3 330.432 0.673 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(C)C(C)(C)C[NH+]2CCCC2)CC1=O ZINC000416336183 437918369 /nfs/dbraw/zinc/91/83/69/437918369.db2.gz YDXONLIDXCAJPP-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCC(N)=O ZINC000365566274 437933183 /nfs/dbraw/zinc/93/31/83/437933183.db2.gz LTRNTMDRPLLMBY-DLBZAZTESA-N 1 3 346.475 0.950 20 0 ECADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCC(N)=O ZINC000365566274 437933187 /nfs/dbraw/zinc/93/31/87/437933187.db2.gz LTRNTMDRPLLMBY-DLBZAZTESA-N 1 3 346.475 0.950 20 0 ECADHO [NH3+]CCOc1ccc(NC(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC000415942673 437881518 /nfs/dbraw/zinc/88/15/18/437881518.db2.gz BTFYBDJOQHPANI-HNNXBMFYSA-N 1 3 336.436 0.992 20 0 ECADHO [NH3+][C@H]1CCc2ncc(NC(=O)N[C@H]3CCCN(CCCO)C3)cc2C1 ZINC000415961294 437883502 /nfs/dbraw/zinc/88/35/02/437883502.db2.gz OKWYANAOOAAWSW-GJZGRUSLSA-N 1 3 347.463 0.866 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416004178 437886469 /nfs/dbraw/zinc/88/64/69/437886469.db2.gz ICLWDSOFXBOPDX-VXGBXAGGSA-N 1 3 340.390 0.658 20 0 ECADHO CN(C)C1(CNC(=O)C2(C(=O)NCC3([NH+](C)C)CC3)CCC2)CC1 ZINC000416307347 437912421 /nfs/dbraw/zinc/91/24/21/437912421.db2.gz KGSBEJCTIFPZFV-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000342029949 437948049 /nfs/dbraw/zinc/94/80/49/437948049.db2.gz YNFMKUOPDGDZJN-INIZCTEOSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[N@H+](C)C1CC1 ZINC000342086933 437964631 /nfs/dbraw/zinc/96/46/31/437964631.db2.gz NUVZQRGFGWFIKG-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[N@@H+](C)C1CC1 ZINC000342086933 437964634 /nfs/dbraw/zinc/96/46/34/437964634.db2.gz NUVZQRGFGWFIKG-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000371657577 437972772 /nfs/dbraw/zinc/97/27/72/437972772.db2.gz IBFSZJJUTMMGCI-AEFFLSMTSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000371657577 437972776 /nfs/dbraw/zinc/97/27/76/437972776.db2.gz IBFSZJJUTMMGCI-AEFFLSMTSA-N 1 3 349.523 0.892 20 0 ECADHO C[NH2+]CCNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417023369 438016936 /nfs/dbraw/zinc/01/69/36/438016936.db2.gz PIQBJTRNEZVNAC-UHFFFAOYSA-N 1 3 333.480 0.713 20 0 ECADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)C1 ZINC000372098825 438034073 /nfs/dbraw/zinc/03/40/73/438034073.db2.gz OATBRRHOBUEAMZ-QZTJIDSGSA-N 1 3 330.476 0.795 20 0 ECADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)C1 ZINC000372098825 438034076 /nfs/dbraw/zinc/03/40/76/438034076.db2.gz OATBRRHOBUEAMZ-QZTJIDSGSA-N 1 3 330.476 0.795 20 0 ECADHO CC(C)([NH3+])CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417369271 438044459 /nfs/dbraw/zinc/04/44/59/438044459.db2.gz QJOXLBQZFVEMKT-UHFFFAOYSA-N 1 3 334.468 0.630 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417426421 438050093 /nfs/dbraw/zinc/05/00/93/438050093.db2.gz GONIHOVBVBQUQF-LSDHHAIUSA-N 1 3 341.500 0.602 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccn1 ZINC000417952509 438094253 /nfs/dbraw/zinc/09/42/53/438094253.db2.gz OJUGXGUNOFFTDR-DZGCQCFKSA-N 1 3 335.452 0.949 20 0 ECADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)NCCN(C)C2CC2)([NH+](C)C)C1 ZINC000342987072 438098649 /nfs/dbraw/zinc/09/86/49/438098649.db2.gz DSPCJOVGRNAYFV-KBXCAEBGSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(C[C@@H]1CNCCO1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000366413399 438068634 /nfs/dbraw/zinc/06/86/34/438068634.db2.gz IBVFMJMVSQPELF-CQSZACIVSA-N 1 3 347.415 0.912 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)C3(C)COC(=O)OC3)CC2)CC1 ZINC000372323720 438069539 /nfs/dbraw/zinc/06/95/39/438069539.db2.gz HGGYOIMVHONLQD-UHFFFAOYSA-N 1 3 339.436 0.834 20 0 ECADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])CN1CCN(C)CC1 ZINC000417754547 438076155 /nfs/dbraw/zinc/07/61/55/438076155.db2.gz PSRIAPKEPCPHBX-BZUAXINKSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000418167610 438113229 /nfs/dbraw/zinc/11/32/29/438113229.db2.gz KGKSLMFMIVFIKN-LSDHHAIUSA-N 1 3 325.501 0.639 20 0 ECADHO C[C@@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H]1C[NH3+] ZINC000418167607 438113295 /nfs/dbraw/zinc/11/32/95/438113295.db2.gz KGKSLMFMIVFIKN-CABCVRRESA-N 1 3 325.501 0.639 20 0 ECADHO CC[C@@H](C)N[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccco1 ZINC000418171788 438114190 /nfs/dbraw/zinc/11/41/90/438114190.db2.gz VQMGBDUYRITVEY-CABCVRRESA-N 1 3 337.468 0.913 20 0 ECADHO CN1CCN(CCNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1(C)C ZINC000418170742 438114366 /nfs/dbraw/zinc/11/43/66/438114366.db2.gz NJMQOKWBDNDSBG-OAHLLOKOSA-N 1 3 325.501 0.844 20 0 ECADHO CC(C)N(C(=O)[C@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000430610880 438116154 /nfs/dbraw/zinc/11/61/54/438116154.db2.gz MBKYEKGRAHCCIJ-LSDHHAIUSA-N 1 3 326.485 0.807 20 0 ECADHO C[C@@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000418179173 438116509 /nfs/dbraw/zinc/11/65/09/438116509.db2.gz XGRDZSDDKJQHJO-HUUCEWRRSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@](C[NH3+])(NCCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CC1 ZINC000430596447 438117562 /nfs/dbraw/zinc/11/75/62/438117562.db2.gz ODHVNJMWMREFPI-OAHLLOKOSA-N 1 3 340.449 0.380 20 0 ECADHO CC(C)C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)C(=O)NCCN(C)C ZINC000418350239 438133742 /nfs/dbraw/zinc/13/37/42/438133742.db2.gz YHBXYLBOPKSHLM-GJZGRUSLSA-N 1 3 341.500 0.378 20 0 ECADHO C[C@H]1CN(CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000430939271 438134455 /nfs/dbraw/zinc/13/44/55/438134455.db2.gz KGKGPFVQULWBDD-JKSUJKDBSA-N 1 3 331.464 0.789 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418373476 438136885 /nfs/dbraw/zinc/13/68/85/438136885.db2.gz BVLZMQDOGBCEMN-MRXNPFEDSA-N 1 3 325.501 0.798 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418406290 438140763 /nfs/dbraw/zinc/14/07/63/438140763.db2.gz KYRKCCFEWMHARK-ARFHVFGLSA-N 1 3 326.485 0.896 20 0 ECADHO NS(=O)(=O)c1ccc(OCCN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431024156 438141640 /nfs/dbraw/zinc/14/16/40/438141640.db2.gz OGNUSRNDZKDDMC-UHFFFAOYSA-N 1 3 339.461 0.788 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000358089102 438148419 /nfs/dbraw/zinc/14/84/19/438148419.db2.gz BUGIRBADPRFAEG-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000358089102 438148422 /nfs/dbraw/zinc/14/84/22/438148422.db2.gz BUGIRBADPRFAEG-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000418686259 438174622 /nfs/dbraw/zinc/17/46/22/438174622.db2.gz OFKMQUSGOWBQDH-BZUAXINKSA-N 1 3 326.485 0.898 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418799187 438192728 /nfs/dbraw/zinc/19/27/28/438192728.db2.gz TYZSLCFHRGUWFL-YLFCFFPRSA-N 1 3 338.496 0.767 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418581324 438162933 /nfs/dbraw/zinc/16/29/33/438162933.db2.gz UNDIQXPUXJHQHN-CABCVRRESA-N 1 3 339.484 0.276 20 0 ECADHO CCN1CCN(c2ccccc2CNC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358135772 438163377 /nfs/dbraw/zinc/16/33/77/438163377.db2.gz KMFCKGIKGZVWNS-IBGZPJMESA-N 1 3 332.492 0.985 20 0 ECADHO CCN1CCN(c2ccccc2CNC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358135772 438163380 /nfs/dbraw/zinc/16/33/80/438163380.db2.gz KMFCKGIKGZVWNS-IBGZPJMESA-N 1 3 332.492 0.985 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@@H]1CCCN1CCCO ZINC000418620090 438167675 /nfs/dbraw/zinc/16/76/75/438167675.db2.gz QJRKXXUDVVRNGL-GJZGRUSLSA-N 1 3 326.485 0.911 20 0 ECADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccnc2)[C@@H]2CCC[C@@H]21 ZINC000367611663 438227826 /nfs/dbraw/zinc/22/78/26/438227826.db2.gz CPTLLLYGXAIVTD-JYJNAYRXSA-N 1 3 338.477 0.822 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000418870881 438228006 /nfs/dbraw/zinc/22/80/06/438228006.db2.gz URLLXMLGQXAZIR-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO COCC1(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC[NH2+]CC1 ZINC000367374362 438201509 /nfs/dbraw/zinc/20/15/09/438201509.db2.gz HVQDVRNVFLHHFB-SUNYJGFJSA-N 1 3 339.480 0.651 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418825538 438202632 /nfs/dbraw/zinc/20/26/32/438202632.db2.gz BVBZXHFIWUERQM-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000418830832 438204188 /nfs/dbraw/zinc/20/41/88/438204188.db2.gz IGRRZSIXCSNIHK-MRXNPFEDSA-N 1 3 338.496 0.999 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418832837 438204758 /nfs/dbraw/zinc/20/47/58/438204758.db2.gz HPNDABLQJSBTSW-HYVNUMGLSA-N 1 3 346.475 0.471 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)CCCC1 ZINC000418829241 438204933 /nfs/dbraw/zinc/20/49/33/438204933.db2.gz GOSRILVJCMDTKR-OAHLLOKOSA-N 1 3 332.448 0.793 20 0 ECADHO O=C1CC[C@@H](NCCC[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)[C@@H](C2CC2)N1 ZINC000367458501 438210673 /nfs/dbraw/zinc/21/06/73/438210673.db2.gz LUQYGNVOLHIIQS-FDCRZUCXSA-N 1 3 348.491 0.670 20 0 ECADHO O=C1CC[C@@H]([NH2+]CCCN[C@H]2CCC(=O)N[C@H]2C2CC2)[C@@H](C2CC2)N1 ZINC000367458501 438210678 /nfs/dbraw/zinc/21/06/78/438210678.db2.gz LUQYGNVOLHIIQS-FDCRZUCXSA-N 1 3 348.491 0.670 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000418945243 438260805 /nfs/dbraw/zinc/26/08/05/438260805.db2.gz MNTSCUZSXRCSKM-HNNXBMFYSA-N 1 3 334.464 0.820 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000418960322 438266885 /nfs/dbraw/zinc/26/68/85/438266885.db2.gz IPDNZKAVEQERHQ-HOCLYGCPSA-N 1 3 332.448 0.573 20 0 ECADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418992602 438275204 /nfs/dbraw/zinc/27/52/04/438275204.db2.gz JZBGTDWPLCQVHU-CZUORRHYSA-N 1 3 332.448 0.621 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000351518194 438276467 /nfs/dbraw/zinc/27/64/67/438276467.db2.gz BPYXGDJZAYXUSU-MRXNPFEDSA-N 1 3 348.447 0.111 20 0 ECADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N(C)[C@@H](C)CN)cc1 ZINC000419012278 438285573 /nfs/dbraw/zinc/28/55/73/438285573.db2.gz VQICWTKOAKWPNR-AWEZNQCLSA-N 1 3 334.464 0.950 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000351558720 438288755 /nfs/dbraw/zinc/28/87/55/438288755.db2.gz SGFFAMVPLGIACD-HZPDHXFCSA-N 1 3 330.432 0.245 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419017542 438288964 /nfs/dbraw/zinc/28/89/64/438288964.db2.gz BBKPQIWUBBVWOO-QRJUGERDSA-N 1 3 338.496 0.713 20 0 ECADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000376829871 438294075 /nfs/dbraw/zinc/29/40/75/438294075.db2.gz LFSGOLQISYZKHS-HUUCEWRRSA-N 1 3 334.468 1.535 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419029206 438295513 /nfs/dbraw/zinc/29/55/13/438295513.db2.gz RGAUETJAGBCQEQ-QLFBSQMISA-N 1 3 326.485 0.857 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H](C)CN1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000419095228 438319647 /nfs/dbraw/zinc/31/96/47/438319647.db2.gz AKSABNQRJKBUBW-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO CCOC(=O)COCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000351712229 438325672 /nfs/dbraw/zinc/32/56/72/438325672.db2.gz NVXQUFQKAOTYRS-JKSUJKDBSA-N 1 3 327.469 0.524 20 0 ECADHO CCOC(=O)COCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000351712229 438325675 /nfs/dbraw/zinc/32/56/75/438325675.db2.gz NVXQUFQKAOTYRS-JKSUJKDBSA-N 1 3 327.469 0.524 20 0 ECADHO O=C(C[C@H]1CSCCN1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000434885231 438333481 /nfs/dbraw/zinc/33/34/81/438333481.db2.gz HYYCRUNMHKFZPC-ZFWWWQNUSA-N 1 3 327.494 0.699 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419126832 438334704 /nfs/dbraw/zinc/33/47/04/438334704.db2.gz YLISXILHRRKRHT-OAHLLOKOSA-N 1 3 336.480 0.793 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC000351762826 438335065 /nfs/dbraw/zinc/33/50/65/438335065.db2.gz NRXHQUSZTSSBCV-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419132259 438338242 /nfs/dbraw/zinc/33/82/42/438338242.db2.gz DTUNECKXBYWSEQ-CHWSQXEVSA-N 1 3 338.477 0.540 20 0 ECADHO CCCN(C(=O)C(=O)NCCN1CCCC[C@@H]1CC)[C@H]1CC[NH2+]C1 ZINC000419075369 438311014 /nfs/dbraw/zinc/31/10/14/438311014.db2.gz FTEGZKFRLDZNFT-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351674947 438316435 /nfs/dbraw/zinc/31/64/35/438316435.db2.gz OKTCGPJZMXMXKG-UGUYLWEFSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCN1C ZINC000351683365 438317664 /nfs/dbraw/zinc/31/76/64/438317664.db2.gz OJAINEHMTSQEMM-FXUDXRNXSA-N 1 3 338.496 0.917 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351684178 438318009 /nfs/dbraw/zinc/31/80/09/438318009.db2.gz PYYFZWACKUACPL-HUUCEWRRSA-N 1 3 326.485 0.774 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C1CC1 ZINC000359246819 438392105 /nfs/dbraw/zinc/39/21/05/438392105.db2.gz DKMFPTHYKTWLQH-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C1CC1 ZINC000359246819 438392109 /nfs/dbraw/zinc/39/21/09/438392109.db2.gz DKMFPTHYKTWLQH-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419174369 438348733 /nfs/dbraw/zinc/34/87/33/438348733.db2.gz VLGSKEYRXKZLON-ARFHVFGLSA-N 1 3 338.496 0.953 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419172173 438348973 /nfs/dbraw/zinc/34/89/73/438348973.db2.gz QQNCKAFSGJCNPT-BZUAXINKSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419412628 438358330 /nfs/dbraw/zinc/35/83/30/438358330.db2.gz CPSSRWRLHNTTOH-LVQVYYBASA-N 1 3 336.480 0.481 20 0 ECADHO C[C@H]1C[C@@H](CCNC(=O)C(=O)N(C)CCN)C[N@@H+]1Cc1ccccc1 ZINC000419482187 438360866 /nfs/dbraw/zinc/36/08/66/438360866.db2.gz XXHVLNSHVTXTJB-DOTOQJQBSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H]1C[C@@H](CCNC(=O)C(=O)N(C)CCN)C[N@H+]1Cc1ccccc1 ZINC000419482187 438360870 /nfs/dbraw/zinc/36/08/70/438360870.db2.gz XXHVLNSHVTXTJB-DOTOQJQBSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419693061 438367568 /nfs/dbraw/zinc/36/75/68/438367568.db2.gz HZGBYBKFXANYNM-SOUVJXGZSA-N 1 3 336.480 0.705 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000419849490 438373315 /nfs/dbraw/zinc/37/33/15/438373315.db2.gz YGZOVCBORBZUGK-UHFFFAOYSA-N 1 3 338.427 0.442 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352096878 438380891 /nfs/dbraw/zinc/38/08/91/438380891.db2.gz LHGALEBBGIYBFQ-IJEWVQPXSA-N 1 3 326.485 0.570 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352096878 438380896 /nfs/dbraw/zinc/38/08/96/438380896.db2.gz LHGALEBBGIYBFQ-IJEWVQPXSA-N 1 3 326.485 0.570 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352096877 438381682 /nfs/dbraw/zinc/38/16/82/438381682.db2.gz LHGALEBBGIYBFQ-IIAWOOMASA-N 1 3 326.485 0.570 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359375100 438422242 /nfs/dbraw/zinc/42/22/42/438422242.db2.gz RCFNMGIRISYXRP-GPANFISMSA-N 1 3 338.496 0.824 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359391569 438426139 /nfs/dbraw/zinc/42/61/39/438426139.db2.gz OKTYCVMNDUIKEC-OAHLLOKOSA-N 1 3 337.512 0.891 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359391569 438426145 /nfs/dbraw/zinc/42/61/45/438426145.db2.gz OKTYCVMNDUIKEC-OAHLLOKOSA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389986573 438430328 /nfs/dbraw/zinc/43/03/28/438430328.db2.gz MJWQLCMSUSMMMI-KYJSFNMBSA-N 1 3 346.475 0.723 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389986573 438430329 /nfs/dbraw/zinc/43/03/29/438430329.db2.gz MJWQLCMSUSMMMI-KYJSFNMBSA-N 1 3 346.475 0.723 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1C ZINC000359450897 438437550 /nfs/dbraw/zinc/43/75/50/438437550.db2.gz ZCUCFJPHAFOHFU-SLTXQBBLSA-N 1 3 338.496 0.822 20 0 ECADHO CCN(CCNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000359265672 438398291 /nfs/dbraw/zinc/39/82/91/438398291.db2.gz RNFDXOCZWNBQGI-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(=O)NCC(F)(F)F ZINC000420340620 438402126 /nfs/dbraw/zinc/40/21/26/438402126.db2.gz MXGYSNZTLGTPDR-QWRGUYRKSA-N 1 3 336.358 0.696 20 0 ECADHO CN(Cc1ccccc1C[N@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352816570 438478179 /nfs/dbraw/zinc/47/81/79/438478179.db2.gz PKNKDDMKDFPPLL-BDXSIMOUSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccccc1C[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352816570 438478181 /nfs/dbraw/zinc/47/81/81/438478181.db2.gz PKNKDDMKDFPPLL-BDXSIMOUSA-N 1 3 336.432 0.070 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000421541696 438491348 /nfs/dbraw/zinc/49/13/48/438491348.db2.gz BQXIAVFQKVRNIQ-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000421541696 438491352 /nfs/dbraw/zinc/49/13/52/438491352.db2.gz BQXIAVFQKVRNIQ-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000422112048 438521453 /nfs/dbraw/zinc/52/14/53/438521453.db2.gz YUZUMNSCSOWMHG-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000369927176 438531077 /nfs/dbraw/zinc/53/10/77/438531077.db2.gz OHFPGFWOMPDLMR-MRXNPFEDSA-N 1 3 338.496 0.587 20 0 ECADHO CC(C)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000369927176 438531082 /nfs/dbraw/zinc/53/10/82/438531082.db2.gz OHFPGFWOMPDLMR-MRXNPFEDSA-N 1 3 338.496 0.587 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422296576 438547948 /nfs/dbraw/zinc/54/79/48/438547948.db2.gz PAGKYOKPKZYXGU-GJZGRUSLSA-N 1 3 326.485 0.774 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422296576 438547953 /nfs/dbraw/zinc/54/79/53/438547953.db2.gz PAGKYOKPKZYXGU-GJZGRUSLSA-N 1 3 326.485 0.774 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000370300699 438569236 /nfs/dbraw/zinc/56/92/36/438569236.db2.gz PCILJJSSALUSGF-JKSUJKDBSA-N 1 3 342.484 0.195 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370300699 438569239 /nfs/dbraw/zinc/56/92/39/438569239.db2.gz PCILJJSSALUSGF-JKSUJKDBSA-N 1 3 342.484 0.195 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000422488904 438579332 /nfs/dbraw/zinc/57/93/32/438579332.db2.gz KWYVYUBKNJMDFK-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000422488904 438579334 /nfs/dbraw/zinc/57/93/34/438579334.db2.gz KWYVYUBKNJMDFK-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410432236 438584412 /nfs/dbraw/zinc/58/44/12/438584412.db2.gz JNFOKIBBQJLLCZ-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410432236 438584413 /nfs/dbraw/zinc/58/44/13/438584413.db2.gz JNFOKIBBQJLLCZ-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000442767353 438622749 /nfs/dbraw/zinc/62/27/49/438622749.db2.gz YLGXWTZIXAEZES-VXGBXAGGSA-N 1 3 340.449 0.332 20 0 ECADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@H]1CCCCN1 ZINC000422980466 438624060 /nfs/dbraw/zinc/62/40/60/438624060.db2.gz PSUGESZMSZBSTJ-ZWKOTPCHSA-N 1 3 326.529 0.887 20 0 ECADHO COC[C@H](CCC[NH3+])NCCN(C)S(=O)(=O)c1cccs1 ZINC000422995163 438626337 /nfs/dbraw/zinc/62/63/37/438626337.db2.gz JMBOTSXBXXDJDX-LBPRGKRZSA-N 1 3 335.495 0.712 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@@H]1C ZINC000410726713 438643250 /nfs/dbraw/zinc/64/32/50/438643250.db2.gz XFMUYFLFWBANHC-CAOSSQGBSA-N 1 3 336.480 0.480 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@@H]1C ZINC000410726713 438643252 /nfs/dbraw/zinc/64/32/52/438643252.db2.gz XFMUYFLFWBANHC-CAOSSQGBSA-N 1 3 336.480 0.480 20 0 ECADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000423204548 438648612 /nfs/dbraw/zinc/64/86/12/438648612.db2.gz URCFEOVETFDCQH-HZPDHXFCSA-N 1 3 336.480 0.661 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423399999 438672922 /nfs/dbraw/zinc/67/29/22/438672922.db2.gz WHODKTCVDAWJAO-ZIAGYGMSSA-N 1 3 335.452 0.717 20 0 ECADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)CCN ZINC000423485160 438681021 /nfs/dbraw/zinc/68/10/21/438681021.db2.gz VGDJROOXYVXLJB-KRWDZBQOSA-N 1 3 346.475 0.774 20 0 ECADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)CCN ZINC000423485160 438681023 /nfs/dbraw/zinc/68/10/23/438681023.db2.gz VGDJROOXYVXLJB-KRWDZBQOSA-N 1 3 346.475 0.774 20 0 ECADHO CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000414701981 438715977 /nfs/dbraw/zinc/71/59/77/438715977.db2.gz UPUMKQOICBQXGK-WBVHZDCISA-N 1 3 344.459 0.921 20 0 ECADHO COC(=O)CN(CCN1CCN(C)CC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414761541 438717104 /nfs/dbraw/zinc/71/71/04/438717104.db2.gz UBKBYWBRSAPKHH-JKSUJKDBSA-N 1 3 326.485 0.097 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@@H]21 ZINC000454556276 438721295 /nfs/dbraw/zinc/72/12/95/438721295.db2.gz YZGVCFXBPNIABS-CVEARBPZSA-N 1 3 336.480 0.977 20 0 ECADHO Cc1ncc2n1C[C@H](C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)CC2 ZINC000553221659 438747976 /nfs/dbraw/zinc/74/79/76/438747976.db2.gz LMMLJNDDLLFMKT-GDBMZVCRSA-N 1 3 333.480 0.896 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3nccc(N)n3)CC2)CC1 ZINC000557645895 438803002 /nfs/dbraw/zinc/80/30/02/438803002.db2.gz BQBNAXRBRVKUEX-UHFFFAOYSA-N 1 3 346.479 0.871 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)C1 ZINC000575986605 438762581 /nfs/dbraw/zinc/76/25/81/438762581.db2.gz ITYHQDUBYQOEGM-YESZJQIVSA-N 1 3 332.448 0.739 20 0 ECADHO O=C(NCCCNCc1cccnc1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000576986576 438807653 /nfs/dbraw/zinc/80/76/53/438807653.db2.gz SDMVNXCKIGOHSK-HNNXBMFYSA-N 1 3 343.435 0.335 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000576642865 438791456 /nfs/dbraw/zinc/79/14/56/438791456.db2.gz GCBIRZDKYPGDSD-CQSZACIVSA-N 1 3 338.496 0.763 20 0 ECADHO N[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1c1ccccc1 ZINC000577279364 438828988 /nfs/dbraw/zinc/82/89/88/438828988.db2.gz NABXVINWATVGHT-JKSUJKDBSA-N 1 3 340.431 0.770 20 0 ECADHO CN(CCN1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000577296732 438830968 /nfs/dbraw/zinc/83/09/68/438830968.db2.gz LWQGIFINPVTYNM-SFHVURJKSA-N 1 3 345.491 0.808 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1CCO)C[NH+]1CCCC1 ZINC000457871163 438837367 /nfs/dbraw/zinc/83/73/67/438837367.db2.gz BKFXAHZYFNROQC-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]1CCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000515408557 438867771 /nfs/dbraw/zinc/86/77/71/438867771.db2.gz BQRNEJCLDOTTFF-LSDHHAIUSA-N 1 3 326.485 0.491 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515491518 438871213 /nfs/dbraw/zinc/87/12/13/438871213.db2.gz GYBQSRHQBGIVLA-QZWWFDLISA-N 1 3 348.491 0.815 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515491518 438871222 /nfs/dbraw/zinc/87/12/22/438871222.db2.gz GYBQSRHQBGIVLA-QZWWFDLISA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)N1CCN(C)CC1 ZINC000577950771 438883814 /nfs/dbraw/zinc/88/38/14/438883814.db2.gz BOXLHSXIJSRSAB-CVEARBPZSA-N 1 3 326.485 0.143 20 0 ECADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516939188 438938377 /nfs/dbraw/zinc/93/83/77/438938377.db2.gz OZYABBDXPCCUIA-MELADBBJSA-N 1 3 325.457 0.060 20 0 ECADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516939188 438938383 /nfs/dbraw/zinc/93/83/83/438938383.db2.gz OZYABBDXPCCUIA-MELADBBJSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC000517359666 438961197 /nfs/dbraw/zinc/96/11/97/438961197.db2.gz LHLZNGGSNBVIKN-ZJPYXAASSA-N 1 3 343.512 0.547 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC000517359666 438961202 /nfs/dbraw/zinc/96/12/02/438961202.db2.gz LHLZNGGSNBVIKN-ZJPYXAASSA-N 1 3 343.512 0.547 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000565606966 438965068 /nfs/dbraw/zinc/96/50/68/438965068.db2.gz VAWMQFCAKHRIRH-QGZVFWFLSA-N 1 3 339.480 0.857 20 0 ECADHO CCOC(=O)C1([C@@H](C)NCC2(S(=O)(=O)CC)CC2)CC[NH2+]CC1 ZINC000596655765 438985208 /nfs/dbraw/zinc/98/52/08/438985208.db2.gz YWVDWVWJSIOUPI-CYBMUJFWSA-N 1 3 346.493 0.865 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000566058339 439000495 /nfs/dbraw/zinc/00/04/95/439000495.db2.gz YPSVJMZFALCVFL-MRXNPFEDSA-N 1 3 327.517 0.947 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(=O)N(C)C)CC2)CC1 ZINC000566441247 439056728 /nfs/dbraw/zinc/05/67/28/439056728.db2.gz BZMDOFITMMMHSK-AWEZNQCLSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC(C)(C)CN(C)C)CC1 ZINC000579615435 439024950 /nfs/dbraw/zinc/02/49/50/439024950.db2.gz IOQYYSGVKBIZBH-UHFFFAOYSA-N 1 3 341.500 0.616 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000519382665 439030537 /nfs/dbraw/zinc/03/05/37/439030537.db2.gz SNDKRXIQCSYGHB-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3COCCO3)CC2)CC1 ZINC000566747392 439086348 /nfs/dbraw/zinc/08/63/48/439086348.db2.gz SUEOTKBSSUPQNK-KRWDZBQOSA-N 1 3 339.480 0.714 20 0 ECADHO CN(C)CCOCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000471658623 439089313 /nfs/dbraw/zinc/08/93/13/439089313.db2.gz MRHSWUHRWNRMTR-HOTGVXAUSA-N 1 3 342.484 0.242 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000520765220 439093823 /nfs/dbraw/zinc/09/38/23/439093823.db2.gz IQDMOGRWOCHQOJ-HNNXBMFYSA-N 1 3 347.467 0.882 20 0 ECADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000520765220 439093828 /nfs/dbraw/zinc/09/38/28/439093828.db2.gz IQDMOGRWOCHQOJ-HNNXBMFYSA-N 1 3 347.467 0.882 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000580541197 439102564 /nfs/dbraw/zinc/10/25/64/439102564.db2.gz MOMLTWSWCVIPSQ-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO Cn1nc(C(=O)OC(C)(C)C)cc1CNCC1(O)CC[NH+](C)CC1 ZINC000602553587 439110296 /nfs/dbraw/zinc/11/02/96/439110296.db2.gz DNGJDPQYIPFJHS-UHFFFAOYSA-N 1 3 338.452 0.922 20 0 ECADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000521278069 439112137 /nfs/dbraw/zinc/11/21/37/439112137.db2.gz FCUKTJUKOHUHKM-UHFFFAOYSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000521278069 439112141 /nfs/dbraw/zinc/11/21/41/439112141.db2.gz FCUKTJUKOHUHKM-UHFFFAOYSA-N 1 3 338.496 0.776 20 0 ECADHO CC1(C)CC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000566748432 439085803 /nfs/dbraw/zinc/08/58/03/439085803.db2.gz KKZBCMZHOPHJLO-CHWSQXEVSA-N 1 3 337.468 0.249 20 0 ECADHO CN1CCC[C@@H](NC(=O)CCCCC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000591829498 439085970 /nfs/dbraw/zinc/08/59/70/439085970.db2.gz RHVXIABTTBZQGA-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCC[C@@H](NC(=O)CCCCC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000591829498 439085975 /nfs/dbraw/zinc/08/59/75/439085975.db2.gz RHVXIABTTBZQGA-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000567569341 439152927 /nfs/dbraw/zinc/15/29/27/439152927.db2.gz FAGWZLBWWGRAPV-CQSZACIVSA-N 1 3 330.432 0.871 20 0 ECADHO OCCN1CCN(CCCC[NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000581007168 439158939 /nfs/dbraw/zinc/15/89/39/439158939.db2.gz IYBDSWQPQMCQOD-GOSISDBHSA-N 1 3 327.513 0.907 20 0 ECADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)CN1CCN(C)CC1 ZINC000567680879 439164447 /nfs/dbraw/zinc/16/44/47/439164447.db2.gz HBMASJYTFJUOIQ-XMTFNYHQSA-N 1 3 326.529 0.551 20 0 ECADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)CN1CCN(C)CC1 ZINC000567680879 439164451 /nfs/dbraw/zinc/16/44/51/439164451.db2.gz HBMASJYTFJUOIQ-XMTFNYHQSA-N 1 3 326.529 0.551 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000567680879 439164457 /nfs/dbraw/zinc/16/44/57/439164457.db2.gz HBMASJYTFJUOIQ-XMTFNYHQSA-N 1 3 326.529 0.551 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC000581241165 439186945 /nfs/dbraw/zinc/18/69/45/439186945.db2.gz WREKDQWXVNTEGD-JKSUJKDBSA-N 1 3 337.512 0.700 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000525306518 439207914 /nfs/dbraw/zinc/20/79/14/439207914.db2.gz ISNNHJIJKAQEPC-SJORKVTESA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000525306518 439207918 /nfs/dbraw/zinc/20/79/18/439207918.db2.gz ISNNHJIJKAQEPC-SJORKVTESA-N 1 3 339.528 0.899 20 0 ECADHO C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CCN1 ZINC000568372395 439241250 /nfs/dbraw/zinc/24/12/50/439241250.db2.gz RDBJVFOYIXSKIN-INIZCTEOSA-N 1 3 337.512 0.940 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCCC3)C[C@@H]21 ZINC000582295465 439314749 /nfs/dbraw/zinc/31/47/49/439314749.db2.gz PUUYDGKLICCQAM-LTIDMASMSA-N 1 3 348.491 0.659 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000569433448 439331047 /nfs/dbraw/zinc/33/10/47/439331047.db2.gz KRUCQCHIEYVCPP-CVEARBPZSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NC1CNC1 ZINC000569441561 439331562 /nfs/dbraw/zinc/33/15/62/439331562.db2.gz VHCCOBFZHQKUEY-HALDLXJZSA-N 1 3 344.459 0.347 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NC1CNC1 ZINC000569441561 439331568 /nfs/dbraw/zinc/33/15/68/439331568.db2.gz VHCCOBFZHQKUEY-HALDLXJZSA-N 1 3 344.459 0.347 20 0 ECADHO C[C@]1(CNC(=O)C(=O)NC2C[NH2+]C2)CCCN1Cc1ccccc1 ZINC000582410464 439332259 /nfs/dbraw/zinc/33/22/59/439332259.db2.gz LCXCLEIAMHTJLX-GOSISDBHSA-N 1 3 330.432 0.245 20 0 ECADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000569447798 439333325 /nfs/dbraw/zinc/33/33/25/439333325.db2.gz UXOWASRTMWCFGO-HOTGVXAUSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000569840645 439366441 /nfs/dbraw/zinc/36/64/41/439366441.db2.gz DXXSXMLCNNXAOC-ILXRZTDVSA-N 1 3 334.468 0.880 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1(C)C ZINC000583084169 439417151 /nfs/dbraw/zinc/41/71/51/439417151.db2.gz ZYWZQEDLIUDGCA-BSXFFOKHSA-N 1 3 339.480 0.874 20 0 ECADHO CCOC(=O)C[C@@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000599305189 439425632 /nfs/dbraw/zinc/42/56/32/439425632.db2.gz VNRUAKQGTPKFGM-OAHLLOKOSA-N 1 3 328.453 0.877 20 0 ECADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000583216127 439437279 /nfs/dbraw/zinc/43/72/79/439437279.db2.gz BAGGCGJJUNHVSD-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000583216127 439437284 /nfs/dbraw/zinc/43/72/84/439437284.db2.gz BAGGCGJJUNHVSD-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000570697550 439443652 /nfs/dbraw/zinc/44/36/52/439443652.db2.gz VKFWQWXREYLFJF-IAGOWNOFSA-N 1 3 346.475 0.473 20 0 ECADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nnc2n1CCC2 ZINC000607242630 439445847 /nfs/dbraw/zinc/44/58/47/439445847.db2.gz WLCAVTLHQRCZKT-CYBMUJFWSA-N 1 3 337.472 0.420 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000583629092 439490795 /nfs/dbraw/zinc/49/07/95/439490795.db2.gz NKRFTDGRUHUZHR-HDMKZQKVSA-N 1 3 341.496 0.728 20 0 ECADHO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)C[C@H]2C1 ZINC000572258610 439569845 /nfs/dbraw/zinc/56/98/45/439569845.db2.gz RUZHQBNUIRSLQU-OKILXGFUSA-N 1 3 328.416 0.291 20 0 ECADHO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)C[C@H]2C1 ZINC000572258610 439569848 /nfs/dbraw/zinc/56/98/48/439569848.db2.gz RUZHQBNUIRSLQU-OKILXGFUSA-N 1 3 328.416 0.291 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000584767894 439613868 /nfs/dbraw/zinc/61/38/68/439613868.db2.gz BAUCZIMZARILEZ-TZMCWYRMSA-N 1 3 348.447 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3C[N@H+](CC)C[C@H]3C)C2)CC1 ZINC000610678934 439639212 /nfs/dbraw/zinc/63/92/12/439639212.db2.gz GTLCVZZPZGMWDZ-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3C[N@@H+](CC)C[C@H]3C)C2)CC1 ZINC000610678934 439639215 /nfs/dbraw/zinc/63/92/15/439639215.db2.gz GTLCVZZPZGMWDZ-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])Cc1ccccc1 ZINC000573340133 439642178 /nfs/dbraw/zinc/64/21/78/439642178.db2.gz KATQDXRFKWJTMI-KRWDZBQOSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000573699589 439661414 /nfs/dbraw/zinc/66/14/14/439661414.db2.gz VWEHGTYOBAHCKV-HZPDHXFCSA-N 1 3 339.528 0.947 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000587089409 439666622 /nfs/dbraw/zinc/66/66/22/439666622.db2.gz FDEDWJMLUQFMHH-HUUCEWRRSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000587089409 439666627 /nfs/dbraw/zinc/66/66/27/439666627.db2.gz FDEDWJMLUQFMHH-HUUCEWRRSA-N 1 3 339.484 0.323 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CCN2C1=O ZINC000595270244 439686127 /nfs/dbraw/zinc/68/61/27/439686127.db2.gz PCDPQJUPYCXEEE-FVQBIDKESA-N 1 3 349.479 0.347 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)CCN2C1=O ZINC000595270244 439686129 /nfs/dbraw/zinc/68/61/29/439686129.db2.gz PCDPQJUPYCXEEE-FVQBIDKESA-N 1 3 349.479 0.347 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)C2CC[NH+](CCC)CC2)C1 ZINC000612552357 439729132 /nfs/dbraw/zinc/72/91/32/439729132.db2.gz VOJMQTGJQASLBO-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@]1(NC(=O)NCCCN2CCN(c3ccncc3)CC2)CC[NH2+]C1 ZINC000612874732 439744138 /nfs/dbraw/zinc/74/41/38/439744138.db2.gz HVNOHJHAOHJIPO-GOSISDBHSA-N 1 3 346.479 0.645 20 0 ECADHO [NH3+][C@H]1CCc2ncc(NC(=O)c3cn[n-]c3[C@H]3CC[NH2+]C3)cc2C1 ZINC000662764526 439880572 /nfs/dbraw/zinc/88/05/72/439880572.db2.gz QFNLTUFUPGRHFL-JQWIXIFHSA-N 1 3 326.404 0.950 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000652423371 439843929 /nfs/dbraw/zinc/84/39/29/439843929.db2.gz VKDYPVVACCPWOV-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000652423371 439843935 /nfs/dbraw/zinc/84/39/35/439843935.db2.gz VKDYPVVACCPWOV-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652423371 439843939 /nfs/dbraw/zinc/84/39/39/439843939.db2.gz VKDYPVVACCPWOV-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662709723 439855366 /nfs/dbraw/zinc/85/53/66/439855366.db2.gz DWAUQWIUQHSHSA-OAHLLOKOSA-N 1 3 336.480 0.720 20 0 ECADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000641824203 439924459 /nfs/dbraw/zinc/92/44/59/439924459.db2.gz FOMORGKYUJYPAV-UHFFFAOYSA-N 1 3 336.480 0.661 20 0 ECADHO CCN1CCN(CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000617505835 439898016 /nfs/dbraw/zinc/89/80/16/439898016.db2.gz RKPZZHWAQDQUAG-INIZCTEOSA-N 1 3 327.517 0.012 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nnn(C(C)(C)C)n1 ZINC000617502342 439898643 /nfs/dbraw/zinc/89/86/43/439898643.db2.gz MCMNIOWJKIUXPG-LBPRGKRZSA-N 1 3 325.461 0.430 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nnn(C(C)(C)C)n1 ZINC000617502342 439898647 /nfs/dbraw/zinc/89/86/47/439898647.db2.gz MCMNIOWJKIUXPG-LBPRGKRZSA-N 1 3 325.461 0.430 20 0 ECADHO CCC(=O)N1CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617506150 439900863 /nfs/dbraw/zinc/90/08/63/439900863.db2.gz BWJJQECQQCSBBD-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCC(=O)N1CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617506150 439900867 /nfs/dbraw/zinc/90/08/67/439900867.db2.gz BWJJQECQQCSBBD-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000617507035 439901360 /nfs/dbraw/zinc/90/13/60/439901360.db2.gz FXPRHWATRWIFEY-SOUVJXGZSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000617507035 439901365 /nfs/dbraw/zinc/90/13/65/439901365.db2.gz FXPRHWATRWIFEY-SOUVJXGZSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000617507818 439904692 /nfs/dbraw/zinc/90/46/92/439904692.db2.gz KFIKACKZARNOLJ-KBPBESRZSA-N 1 3 336.484 0.308 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000617507818 439904695 /nfs/dbraw/zinc/90/46/95/439904695.db2.gz KFIKACKZARNOLJ-KBPBESRZSA-N 1 3 336.484 0.308 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc2c1ncn2C ZINC000617507828 439904827 /nfs/dbraw/zinc/90/48/27/439904827.db2.gz KTNKRHRPDSWQRB-ZDUSSCGKSA-N 1 3 332.452 0.970 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc2c1ncn2C ZINC000617507828 439904844 /nfs/dbraw/zinc/90/48/44/439904844.db2.gz KTNKRHRPDSWQRB-ZDUSSCGKSA-N 1 3 332.452 0.970 20 0 ECADHO CN(CCCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000642302664 439969568 /nfs/dbraw/zinc/96/95/68/439969568.db2.gz OSZWDKITPKOTOK-QGZVFWFLSA-N 1 3 346.475 0.883 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000642330540 439972882 /nfs/dbraw/zinc/97/28/82/439972882.db2.gz RXLCNGDQIQQISY-AWEZNQCLSA-N 1 3 338.496 0.953 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662982965 439979003 /nfs/dbraw/zinc/97/90/03/439979003.db2.gz GYRGLUHAXHULDS-OAGGEKHMSA-N 1 3 338.496 0.763 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662982965 439979009 /nfs/dbraw/zinc/97/90/09/439979009.db2.gz GYRGLUHAXHULDS-OAGGEKHMSA-N 1 3 338.496 0.763 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636570258 439937451 /nfs/dbraw/zinc/93/74/51/439937451.db2.gz INDZKPFNPJPJFM-RHSMWYFYSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000636570258 439937458 /nfs/dbraw/zinc/93/74/58/439937458.db2.gz INDZKPFNPJPJFM-RHSMWYFYSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(OCCN(C)C)c2)C[NH2+]1 ZINC000626886917 439938408 /nfs/dbraw/zinc/93/84/08/439938408.db2.gz PYFWZUYXIVGEPC-ZFWWWQNUSA-N 1 3 348.447 0.822 20 0 ECADHO CN(C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000641999474 439941301 /nfs/dbraw/zinc/94/13/01/439941301.db2.gz MURKKXSYMHOETL-ROUUACIJSA-N 1 3 345.491 0.806 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000652720349 439942193 /nfs/dbraw/zinc/94/21/93/439942193.db2.gz BLXHUXUVBFCABW-KRWDZBQOSA-N 1 3 344.459 0.719 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000652723962 439944880 /nfs/dbraw/zinc/94/48/80/439944880.db2.gz QDKRUEFZYSFAEH-GJZGRUSLSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000662925232 439944975 /nfs/dbraw/zinc/94/49/75/439944975.db2.gz FTJSSSHGBGMHGF-UHFFFAOYSA-N 1 3 338.496 0.908 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724723 439946802 /nfs/dbraw/zinc/94/68/02/439946802.db2.gz KWXRPIWWIMYMFP-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)Cc1ccccc1 ZINC000642094854 439948604 /nfs/dbraw/zinc/94/86/04/439948604.db2.gz GQAWSRQXNGKNNC-MRXNPFEDSA-N 1 3 332.448 0.144 20 0 ECADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000662931043 439950411 /nfs/dbraw/zinc/95/04/11/439950411.db2.gz ZMAQRJYGICKUDJ-SWKXRBFHSA-N 1 3 334.464 0.413 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000631927752 439991652 /nfs/dbraw/zinc/99/16/52/439991652.db2.gz IAWRUBZKVMJUJA-ZFWWWQNUSA-N 1 3 330.498 0.331 20 0 ECADHO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014065 439988340 /nfs/dbraw/zinc/98/83/40/439988340.db2.gz IZRBVUQYAUDWCW-KGLIPLIRSA-N 1 3 332.452 0.277 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000642911531 440059895 /nfs/dbraw/zinc/05/98/95/440059895.db2.gz CTYLGCXOVKQTQS-KGLIPLIRSA-N 1 3 331.420 0.116 20 0 ECADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642950426 440068738 /nfs/dbraw/zinc/06/87/38/440068738.db2.gz POJVXKSDONFPEU-GOEBONIOSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653119458 440072361 /nfs/dbraw/zinc/07/23/61/440072361.db2.gz KOQHHWVHLJHTGW-HOTGVXAUSA-N 1 3 336.480 0.576 20 0 ECADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000663454323 440075678 /nfs/dbraw/zinc/07/56/78/440075678.db2.gz KCUDPNAFQYAGJY-UHFFFAOYSA-N 1 3 327.473 0.132 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000643015070 440082054 /nfs/dbraw/zinc/08/20/54/440082054.db2.gz AMVLWSGKFLECFD-ZHCJQAHYSA-N 1 3 348.491 0.576 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627198424 440043600 /nfs/dbraw/zinc/04/36/00/440043600.db2.gz VFKPEFZQINSCDC-CABCVRRESA-N 1 3 339.484 0.323 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627206866 440045214 /nfs/dbraw/zinc/04/52/14/440045214.db2.gz MWABHUNANMQVLG-GJZGRUSLSA-N 1 3 325.501 0.842 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[C@@H]1[NH3+] ZINC000642809749 440048398 /nfs/dbraw/zinc/04/83/98/440048398.db2.gz FTDNPCMVKRXELL-QLFBSQMISA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@H]1N1CCN(C)CC1 ZINC000627216021 440049190 /nfs/dbraw/zinc/04/91/90/440049190.db2.gz NNRZWTIHYPXEKF-JKSUJKDBSA-N 1 3 341.500 0.019 20 0 ECADHO [NH3+]C1CCC(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000642907274 440057840 /nfs/dbraw/zinc/05/78/40/440057840.db2.gz LLZXEYGRLLBJAE-UHFFFAOYSA-N 1 3 336.480 0.849 20 0 ECADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642908866 440058066 /nfs/dbraw/zinc/05/80/66/440058066.db2.gz AJFXFJVQADXBFQ-ZBFHGGJFSA-N 1 3 347.463 0.358 20 0 ECADHO C[N@H+](CCCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC1 ZINC000643394387 440136102 /nfs/dbraw/zinc/13/61/02/440136102.db2.gz FLYTXJIEZWGKNF-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO C[N@@H+](CCCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC1 ZINC000643394387 440136106 /nfs/dbraw/zinc/13/61/06/440136106.db2.gz FLYTXJIEZWGKNF-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)CC[N@@H+]1C ZINC000632157769 440101394 /nfs/dbraw/zinc/10/13/94/440101394.db2.gz HHAJLHBACLHTJD-HRCADAONSA-N 1 3 340.512 0.925 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)CC[N@H+]1C ZINC000632157769 440101397 /nfs/dbraw/zinc/10/13/97/440101397.db2.gz HHAJLHBACLHTJD-HRCADAONSA-N 1 3 340.512 0.925 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CNC[C@@H]2CCCO2)C1 ZINC000653267006 440106156 /nfs/dbraw/zinc/10/61/56/440106156.db2.gz JFDGBXOUPOHNII-UGUYLWEFSA-N 1 3 325.453 0.642 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627311928 440115543 /nfs/dbraw/zinc/11/55/43/440115543.db2.gz KRXBNXBWFMSPNJ-KFWWJZLASA-N 1 3 338.496 0.870 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)C[NH2+]1 ZINC000627377427 440164977 /nfs/dbraw/zinc/16/49/77/440164977.db2.gz INFJTPOJWHFHNK-CJNGLKHVSA-N 1 3 332.448 0.621 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000643494635 440187468 /nfs/dbraw/zinc/18/74/68/440187468.db2.gz RGSIBWOTHKTGFP-YESZJQIVSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498943 440190249 /nfs/dbraw/zinc/19/02/49/440190249.db2.gz YLXSNDDFFDHMFQ-OAGGEKHMSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC[C@H]1[NH3+] ZINC000643498930 440190333 /nfs/dbraw/zinc/19/03/33/440190333.db2.gz XHCUDIJXFIMFLX-OWCLPIDISA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643503480 440190773 /nfs/dbraw/zinc/19/07/73/440190773.db2.gz FDQKICKNGUSPRH-CABCVRRESA-N 1 3 336.480 0.659 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498793 440191135 /nfs/dbraw/zinc/19/11/35/440191135.db2.gz WYTSRRYGXXMBTA-BZUAXINKSA-N 1 3 334.464 0.141 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000643518422 440195474 /nfs/dbraw/zinc/19/54/74/440195474.db2.gz FAXVSRDHUDQZJL-JJXSEGSLSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CCN1CCCCC1)C1CC[NH+](C)CC1 ZINC000653387178 440145931 /nfs/dbraw/zinc/14/59/31/440145931.db2.gz VZPCKHZMRKCROW-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000637052202 440147346 /nfs/dbraw/zinc/14/73/46/440147346.db2.gz VYIMXIMSHUQGLA-JQHSSLGASA-N 1 3 346.475 0.873 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000637052202 440147350 /nfs/dbraw/zinc/14/73/50/440147350.db2.gz VYIMXIMSHUQGLA-JQHSSLGASA-N 1 3 346.475 0.873 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663680382 440148705 /nfs/dbraw/zinc/14/87/05/440148705.db2.gz GKOJDGDRZDSRLI-CABCVRRESA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000663680382 440148711 /nfs/dbraw/zinc/14/87/11/440148711.db2.gz GKOJDGDRZDSRLI-CABCVRRESA-N 1 3 339.484 0.275 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653398280 440152826 /nfs/dbraw/zinc/15/28/26/440152826.db2.gz LBJBRDFWQYGGLP-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO NC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000643591078 440214983 /nfs/dbraw/zinc/21/49/83/440214983.db2.gz DCOGSHWLSFJHPM-VNQPRFMTSA-N 1 3 334.464 0.411 20 0 ECADHO NC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000643591078 440214986 /nfs/dbraw/zinc/21/49/86/440214986.db2.gz DCOGSHWLSFJHPM-VNQPRFMTSA-N 1 3 334.464 0.411 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643592632 440216568 /nfs/dbraw/zinc/21/65/68/440216568.db2.gz QWOOKODQAUCARR-GOEBONIOSA-N 1 3 332.448 0.525 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C[NH2+]1 ZINC000627483507 440235848 /nfs/dbraw/zinc/23/58/48/440235848.db2.gz HEEGAOHSKSPDGO-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977933 440205373 /nfs/dbraw/zinc/20/53/73/440205373.db2.gz JYOUFUPYFJKPKR-HOTGVXAUSA-N 1 3 347.525 0.654 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000627501719 440243993 /nfs/dbraw/zinc/24/39/93/440243993.db2.gz VRBCEKGPFUPNHI-USXIJHARSA-N 1 3 344.459 0.586 20 0 ECADHO CC(C)N1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000664192086 440255166 /nfs/dbraw/zinc/25/51/66/440255166.db2.gz FSNMKZRBFXEDCW-LSDHHAIUSA-N 1 3 341.500 0.567 20 0 ECADHO CC(C)N1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000664192086 440255170 /nfs/dbraw/zinc/25/51/70/440255170.db2.gz FSNMKZRBFXEDCW-LSDHHAIUSA-N 1 3 341.500 0.567 20 0 ECADHO CN1CCC2(CC1)CN(S(=O)(=O)CCC[NH+]1CCCC1)CCO2 ZINC000632503585 440257117 /nfs/dbraw/zinc/25/71/17/440257117.db2.gz IMAQVGPPVFMNNN-UHFFFAOYSA-N 1 3 345.509 0.599 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632528768 440271134 /nfs/dbraw/zinc/27/11/34/440271134.db2.gz JUUDABZMOFCYKT-OAHLLOKOSA-N 1 3 336.484 0.201 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000664782144 440373140 /nfs/dbraw/zinc/37/31/40/440373140.db2.gz IEGVYHFLEHMUHW-SQNIBIBYSA-N 1 3 346.475 0.825 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000664782144 440373144 /nfs/dbraw/zinc/37/31/44/440373144.db2.gz IEGVYHFLEHMUHW-SQNIBIBYSA-N 1 3 346.475 0.825 20 0 ECADHO C[C@@H](NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1=CCN(C)CC1 ZINC000664630527 440346698 /nfs/dbraw/zinc/34/66/98/440346698.db2.gz SLICLXFPFJQYMR-PBHICJAKSA-N 1 3 336.480 0.877 20 0 ECADHO C[C@@H](NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1=CCN(C)CC1 ZINC000664630527 440346701 /nfs/dbraw/zinc/34/67/01/440346701.db2.gz SLICLXFPFJQYMR-PBHICJAKSA-N 1 3 336.480 0.877 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)NC[C@H]1CCC[NH2+]1 ZINC000659515521 440352920 /nfs/dbraw/zinc/35/29/20/440352920.db2.gz KGWYIQHUMRQINI-IAGOWNOFSA-N 1 3 332.448 0.804 20 0 ECADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654576866 440353764 /nfs/dbraw/zinc/35/37/64/440353764.db2.gz GKEIESQLFMHPAX-YESZJQIVSA-N 1 3 338.496 0.957 20 0 ECADHO CCN1CCN(CCCCNC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659436597 440325439 /nfs/dbraw/zinc/32/54/39/440325439.db2.gz VSRDUXCKJAKGMQ-UHFFFAOYSA-N 1 3 325.501 0.975 20 0 ECADHO CC(C)[NH+](CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(C)C ZINC000654468764 440325994 /nfs/dbraw/zinc/32/59/94/440325994.db2.gz JIQNOBDXOJFDGB-JKSUJKDBSA-N 1 3 326.485 0.956 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@]3(O)CC[N@@H+](C)C3)C2)cc1 ZINC000637720824 440327832 /nfs/dbraw/zinc/32/78/32/440327832.db2.gz XDMZIECKPMAOKB-PKOBYXMFSA-N 1 3 346.475 0.935 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@]3(O)CC[N@H+](C)C3)C2)cc1 ZINC000637720824 440327835 /nfs/dbraw/zinc/32/78/35/440327835.db2.gz XDMZIECKPMAOKB-PKOBYXMFSA-N 1 3 346.475 0.935 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659451141 440328459 /nfs/dbraw/zinc/32/84/59/440328459.db2.gz BYNQVXKPKTXTLS-ZIAGYGMSSA-N 1 3 343.447 0.010 20 0 ECADHO N[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[C@H]1F ZINC000659450569 440329009 /nfs/dbraw/zinc/32/90/09/440329009.db2.gz QICNATSDEJAHJW-ZIAGYGMSSA-N 1 3 328.432 0.712 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659460060 440332142 /nfs/dbraw/zinc/33/21/42/440332142.db2.gz JZJZPOFGJYPYFF-UHFFFAOYSA-N 1 3 336.440 0.562 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659681647 440416663 /nfs/dbraw/zinc/41/66/63/440416663.db2.gz YIWBQZMJTHWWSV-HMEJJSDOSA-N 1 3 336.480 0.419 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659683682 440419677 /nfs/dbraw/zinc/41/96/77/440419677.db2.gz AEBGYASJAPRWDI-LSDHHAIUSA-N 1 3 326.485 0.857 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000659692998 440427654 /nfs/dbraw/zinc/42/76/54/440427654.db2.gz CYTUYIQBJMGYGQ-VYDXJSESSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@H]1N1CCN(C)CC1 ZINC000659616115 440375718 /nfs/dbraw/zinc/37/57/18/440375718.db2.gz RGBAHNGQOIDUDW-UERKLNTKSA-N 1 3 335.496 0.406 20 0 ECADHO CC(C)[C@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CCN1C ZINC000632867583 440383753 /nfs/dbraw/zinc/38/37/53/440383753.db2.gz BRWIKJNDSNGWHQ-QGZVFWFLSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000649075479 440384572 /nfs/dbraw/zinc/38/45/72/440384572.db2.gz DIPLAXAFHCBSTQ-AWEZNQCLSA-N 1 3 332.448 0.940 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000659631208 440384801 /nfs/dbraw/zinc/38/48/01/440384801.db2.gz BPSMCYXNIIFODB-GFCCVEGCSA-N 1 3 334.424 0.268 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000659671558 440407538 /nfs/dbraw/zinc/40/75/38/440407538.db2.gz GVDRDDGWEOWHCP-HNAYVOBHSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC2CC1(CN)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000659676168 440413159 /nfs/dbraw/zinc/41/31/59/440413159.db2.gz FOJUNLIMTGOZPE-XNDRKVBMSA-N 1 3 348.491 0.705 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC2CC1(CN)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000659676168 440413164 /nfs/dbraw/zinc/41/31/64/440413164.db2.gz FOJUNLIMTGOZPE-XNDRKVBMSA-N 1 3 348.491 0.705 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)N(C)Cc1ccccc1 ZINC000659679250 440414185 /nfs/dbraw/zinc/41/41/85/440414185.db2.gz SYUWDFCTQXRTGV-ICXUMSERSA-N 1 3 344.459 0.573 20 0 ECADHO C[C@H](CN1CCN(C)CC1)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638140919 440462299 /nfs/dbraw/zinc/46/22/99/440462299.db2.gz PPIBNFQATMXWAL-SJLPKXTDSA-N 1 3 347.507 0.198 20 0 ECADHO C[C@H](CN1CCN(C)CC1)NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638140919 440462302 /nfs/dbraw/zinc/46/23/02/440462302.db2.gz PPIBNFQATMXWAL-SJLPKXTDSA-N 1 3 347.507 0.198 20 0 ECADHO C[C@@]1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CNCCO1 ZINC000638140731 440463124 /nfs/dbraw/zinc/46/31/24/440463124.db2.gz PCUOHYGOYFBTLM-SFHVURJKSA-N 1 3 347.463 0.088 20 0 ECADHO COCC[NH2+]CCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638153161 440468049 /nfs/dbraw/zinc/46/80/49/440468049.db2.gz PAOMHWHRJYHQSM-UHFFFAOYSA-N 1 3 349.435 0.269 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659734756 440472431 /nfs/dbraw/zinc/47/24/31/440472431.db2.gz BVNMHJRXQPMXAJ-KFWWJZLASA-N 1 3 336.480 0.705 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000659737761 440474390 /nfs/dbraw/zinc/47/43/90/440474390.db2.gz VJVWBLSMDVLBDQ-OAHLLOKOSA-N 1 3 348.491 0.864 20 0 ECADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649343684 440475640 /nfs/dbraw/zinc/47/56/40/440475640.db2.gz OYMZRXYTLNNLOV-PIIMJCKOSA-N 1 3 329.444 0.725 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649342619 440476838 /nfs/dbraw/zinc/47/68/38/440476838.db2.gz DJCFJGLUVAKFGE-AEFFLSMTSA-N 1 3 346.475 0.819 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000649342619 440476843 /nfs/dbraw/zinc/47/68/43/440476843.db2.gz DJCFJGLUVAKFGE-AEFFLSMTSA-N 1 3 346.475 0.819 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])Cc2ccccc2C1 ZINC000659697506 440432145 /nfs/dbraw/zinc/43/21/45/440432145.db2.gz XDTIIWAYVJYTME-UHFFFAOYSA-N 1 3 346.475 0.398 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000633085175 440434811 /nfs/dbraw/zinc/43/48/11/440434811.db2.gz UTJHCKCXUIUHDS-OAGGEKHMSA-N 1 3 336.480 0.517 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CNCCC1(F)F ZINC000644124029 440448697 /nfs/dbraw/zinc/44/86/97/440448697.db2.gz BNSFJNIDPLMTPD-NWDGAFQWSA-N 1 3 332.395 0.077 20 0 ECADHO COC[C@@]1(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCN1 ZINC000638119025 440449147 /nfs/dbraw/zinc/44/91/47/440449147.db2.gz HAGUHMPLMORJHG-MAUKXSAKSA-N 1 3 339.480 0.762 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638136184 440454596 /nfs/dbraw/zinc/45/45/96/440454596.db2.gz YVYKORTXWSKVBE-KRWDZBQOSA-N 1 3 327.469 0.748 20 0 ECADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000638276738 440491256 /nfs/dbraw/zinc/49/12/56/440491256.db2.gz PDKTWMRVKBDFHE-AEFFLSMTSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000665595465 440499752 /nfs/dbraw/zinc/49/97/52/440499752.db2.gz ZUPAKXDXENEHIX-BFHYXJOUSA-N 1 3 337.472 0.855 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000665595465 440499754 /nfs/dbraw/zinc/49/97/54/440499754.db2.gz ZUPAKXDXENEHIX-BFHYXJOUSA-N 1 3 337.472 0.855 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638328731 440515295 /nfs/dbraw/zinc/51/52/95/440515295.db2.gz KGCJOHWNVHWUJD-IAGOWNOFSA-N 1 3 341.496 0.962 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@](C)(O)C(F)(F)F ZINC000665761939 440524237 /nfs/dbraw/zinc/52/42/37/440524237.db2.gz VJNRXMPQAWIHDF-AAEUAGOBSA-N 1 3 342.406 0.871 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@](C)(O)C(F)(F)F ZINC000665761939 440524243 /nfs/dbraw/zinc/52/42/43/440524243.db2.gz VJNRXMPQAWIHDF-AAEUAGOBSA-N 1 3 342.406 0.871 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCSC[C@H]1CCO ZINC000665760796 440524264 /nfs/dbraw/zinc/52/42/64/440524264.db2.gz PGDZSPFYCSYVKX-LSDHHAIUSA-N 1 3 346.541 0.768 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCSC[C@H]1CCO ZINC000665760796 440524266 /nfs/dbraw/zinc/52/42/66/440524266.db2.gz PGDZSPFYCSYVKX-LSDHHAIUSA-N 1 3 346.541 0.768 20 0 ECADHO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294992 440528093 /nfs/dbraw/zinc/52/80/93/440528093.db2.gz OAYNAXXZEMFHFQ-HRCADAONSA-N 1 3 339.505 0.481 20 0 ECADHO CC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665764009 440531375 /nfs/dbraw/zinc/53/13/75/440531375.db2.gz RJRMQJLGPRIRPT-DZGCQCFKSA-N 1 3 327.473 0.178 20 0 ECADHO CC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665764009 440531379 /nfs/dbraw/zinc/53/13/79/440531379.db2.gz RJRMQJLGPRIRPT-DZGCQCFKSA-N 1 3 327.473 0.178 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000659744338 440480808 /nfs/dbraw/zinc/48/08/08/440480808.db2.gz JGMVCDOOMFJWTR-RRFJBIMHSA-N 1 3 326.485 0.713 20 0 ECADHO CN1CC[NH+](CCCCNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000649351159 440481621 /nfs/dbraw/zinc/48/16/21/440481621.db2.gz VEFWMVMFFWHHCW-SFHVURJKSA-N 1 3 330.476 0.845 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000659745962 440483444 /nfs/dbraw/zinc/48/34/44/440483444.db2.gz GDGGIXSDLNBICU-CQSZACIVSA-N 1 3 326.485 0.809 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000638527511 440561617 /nfs/dbraw/zinc/56/16/17/440561617.db2.gz USKARMPJCDQVIT-YJBOKZPZSA-N 1 3 330.432 0.916 20 0 ECADHO N[C@H]1CCCCN(CC(=O)N2CCCc3cccc(C[NH3+])c32)C1=O ZINC000638543717 440567923 /nfs/dbraw/zinc/56/79/23/440567923.db2.gz ORHBAVBAYASQQN-HNNXBMFYSA-N 1 3 330.432 0.764 20 0 ECADHO CN(CCc1nnn(C(C)(C)C)n1)CCN(C)C1CC[NH+](C)CC1 ZINC000660139053 440606538 /nfs/dbraw/zinc/60/65/38/440606538.db2.gz HCFWKVREKNGHFS-UHFFFAOYSA-N 1 3 337.516 0.928 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638777125 440621785 /nfs/dbraw/zinc/62/17/85/440621785.db2.gz BXOIMYLSUHZCKI-JKSUJKDBSA-N 1 3 325.453 0.372 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530240 440638852 /nfs/dbraw/zinc/63/88/52/440638852.db2.gz ZLMJYBXSGSRNEG-HUUCEWRRSA-N 1 3 345.443 0.965 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530240 440638858 /nfs/dbraw/zinc/63/88/58/440638858.db2.gz ZLMJYBXSGSRNEG-HUUCEWRRSA-N 1 3 345.443 0.965 20 0 ECADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530240 440638865 /nfs/dbraw/zinc/63/88/65/440638865.db2.gz ZLMJYBXSGSRNEG-HUUCEWRRSA-N 1 3 345.443 0.965 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN1CCNCC1 ZINC000638848403 440632302 /nfs/dbraw/zinc/63/23/02/440632302.db2.gz AIRRWMVQZQYAIB-AEFFLSMTSA-N 1 3 330.476 0.776 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN1CCNCC1 ZINC000638848403 440632307 /nfs/dbraw/zinc/63/23/07/440632307.db2.gz AIRRWMVQZQYAIB-AEFFLSMTSA-N 1 3 330.476 0.776 20 0 ECADHO CN1CCN(C[C@H](O)CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000644582335 440648144 /nfs/dbraw/zinc/64/81/44/440648144.db2.gz DBSTYPQFBOBMDH-LJQANCHMSA-N 1 3 338.540 0.981 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000655954665 440658161 /nfs/dbraw/zinc/65/81/61/440658161.db2.gz FZUKGHIJRFQKAW-JNSHFYNHSA-N 1 3 346.431 0.564 20 0 ECADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650677625 440670491 /nfs/dbraw/zinc/67/04/91/440670491.db2.gz PWBFGPPTJKVCBZ-HNNXBMFYSA-N 1 3 341.500 0.378 20 0 ECADHO [NH3+]CCOc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000666741410 440683597 /nfs/dbraw/zinc/68/35/97/440683597.db2.gz OMXQPLJDEVZOEO-HNNXBMFYSA-N 1 3 346.431 0.659 20 0 ECADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000666761649 440684866 /nfs/dbraw/zinc/68/48/66/440684866.db2.gz YACKZNFMTCOYSY-HNNXBMFYSA-N 1 3 326.485 0.863 20 0 ECADHO C[N@H+](CCCO)C1CCN(C(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000655920072 440643991 /nfs/dbraw/zinc/64/39/91/440643991.db2.gz RWQWNQYKJVNKAG-NSHDSACASA-N 1 3 326.363 0.364 20 0 ECADHO C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000655920072 440643996 /nfs/dbraw/zinc/64/39/96/440643996.db2.gz RWQWNQYKJVNKAG-NSHDSACASA-N 1 3 326.363 0.364 20 0 ECADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000666770696 440688525 /nfs/dbraw/zinc/68/85/25/440688525.db2.gz RJAVVGWQTIVHQC-MRXNPFEDSA-N 1 3 330.432 0.945 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000656027059 440698413 /nfs/dbraw/zinc/69/84/13/440698413.db2.gz ARAHAYFIOLNFJZ-HUUCEWRRSA-N 1 3 334.464 0.474 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CCCC1 ZINC000656023392 440693654 /nfs/dbraw/zinc/69/36/54/440693654.db2.gz ANYIALGJTZBNTD-HRCADAONSA-N 1 3 336.480 0.753 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000656028530 440701025 /nfs/dbraw/zinc/70/10/25/440701025.db2.gz MAIWIQKOMMESKF-XUWVNRHRSA-N 1 3 334.464 0.330 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028896 440699467 /nfs/dbraw/zinc/69/94/67/440699467.db2.gz SXYHERBZELBKMH-XUWVNRHRSA-N 1 3 336.480 0.705 20 0 ECADHO CCCN1CC[C@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000666926858 440711516 /nfs/dbraw/zinc/71/15/16/440711516.db2.gz ZQOIHMMADDSRCT-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO CCCN1CC[C@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000666926858 440711520 /nfs/dbraw/zinc/71/15/20/440711520.db2.gz ZQOIHMMADDSRCT-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660704755 440711980 /nfs/dbraw/zinc/71/19/80/440711980.db2.gz OYYIDODPBVWBOZ-CVEARBPZSA-N 1 3 340.468 0.260 20 0 ECADHO COC[C@@]1(CO)CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639665756 440754895 /nfs/dbraw/zinc/75/48/95/440754895.db2.gz IKNCEUHATZSVFM-RBUKOAKNSA-N 1 3 334.460 0.954 20 0 ECADHO COC[C@@]1(CO)CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639665756 440754900 /nfs/dbraw/zinc/75/49/00/440754900.db2.gz IKNCEUHATZSVFM-RBUKOAKNSA-N 1 3 334.460 0.954 20 0 ECADHO O=C1NC2(CCCC2)C(=O)N1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629555152 440727558 /nfs/dbraw/zinc/72/75/58/440727558.db2.gz XKWFZDAWDCFHLX-AWEZNQCLSA-N 1 3 338.452 0.287 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)CC2(O)CCOCC2)C1 ZINC000639506074 440731766 /nfs/dbraw/zinc/73/17/66/440731766.db2.gz FWZJGCJSELXIQR-IAGOWNOFSA-N 1 3 344.496 0.712 20 0 ECADHO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000629583397 440739896 /nfs/dbraw/zinc/73/98/96/440739896.db2.gz BDLFLEFLRAKWED-UFYCRDLUSA-N 1 3 347.503 0.916 20 0 ECADHO O=C1c2ccccc2C(=O)N1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629581158 440740072 /nfs/dbraw/zinc/74/00/72/440740072.db2.gz PLGXTSMXAUSQNW-CQSZACIVSA-N 1 3 331.416 0.719 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)[N@H+](C)C1CC1 ZINC000656308419 440759596 /nfs/dbraw/zinc/75/95/96/440759596.db2.gz AFONHDNFEBPVQQ-KBMXLJTQSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)[N@@H+](C)C1CC1 ZINC000656308419 440759599 /nfs/dbraw/zinc/75/95/99/440759599.db2.gz AFONHDNFEBPVQQ-KBMXLJTQSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629797862 440765546 /nfs/dbraw/zinc/76/55/46/440765546.db2.gz GIKTYOGOULOMAY-DTDBQYNISA-N 1 3 336.480 0.243 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656355499 440785452 /nfs/dbraw/zinc/78/54/52/440785452.db2.gz KWQXULYKQAXMAV-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC2(C1)CC[NH+](C)CC2 ZINC000639757650 440785622 /nfs/dbraw/zinc/78/56/22/440785622.db2.gz KQXHXGDFOJZPSC-UHFFFAOYSA-N 1 3 333.498 0.360 20 0 ECADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000651289870 440791174 /nfs/dbraw/zinc/79/11/74/440791174.db2.gz BWSZXNACVDNJSY-ZACQAIPSSA-N 1 3 339.480 0.570 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O ZINC000661514600 440869129 /nfs/dbraw/zinc/86/91/29/440869129.db2.gz NGQNYJZCAXUUIS-AWEZNQCLSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1=O ZINC000661514600 440869134 /nfs/dbraw/zinc/86/91/34/440869134.db2.gz NGQNYJZCAXUUIS-AWEZNQCLSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000635531407 440886798 /nfs/dbraw/zinc/88/67/98/440886798.db2.gz FCWFQGBVKRZQLD-MRXNPFEDSA-N 1 3 346.475 0.936 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000635531407 440886804 /nfs/dbraw/zinc/88/68/04/440886804.db2.gz FCWFQGBVKRZQLD-MRXNPFEDSA-N 1 3 346.475 0.936 20 0 ECADHO C[C@H](CNC(=O)C(C)(C)CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000635560866 440899579 /nfs/dbraw/zinc/89/95/79/440899579.db2.gz OJPKLBUNKXVURD-MRXNPFEDSA-N 1 3 340.512 0.345 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)c1 ZINC000645896652 440943933 /nfs/dbraw/zinc/94/39/33/440943933.db2.gz ONEOPRUFVNMKBI-HNNXBMFYSA-N 1 3 332.448 0.592 20 0 ECADHO COCC1(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC[NH2+]CC1 ZINC000646003226 440966951 /nfs/dbraw/zinc/96/69/51/440966951.db2.gz WVVGZDLXALOKQH-INIZCTEOSA-N 1 3 338.496 0.241 20 0 ECADHO CCOCCCNC(=O)C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662250943 440995317 /nfs/dbraw/zinc/99/53/17/440995317.db2.gz SXSGOHMGOJTDQU-MRXNPFEDSA-N 1 3 339.480 0.762 20 0 ECADHO C[C@H](NC[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(S(N)(=O)=O)cc1 ZINC000662281711 441000460 /nfs/dbraw/zinc/00/04/60/441000460.db2.gz LEOLNZZHFUQDHP-AAEUAGOBSA-N 1 3 325.434 0.506 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000635857220 441008306 /nfs/dbraw/zinc/00/83/06/441008306.db2.gz ZFCMFWGKUGYIKK-MRXNPFEDSA-N 1 3 329.485 0.914 20 0 ECADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])C1 ZINC000662313313 441010550 /nfs/dbraw/zinc/01/05/50/441010550.db2.gz KJLFVZJFHVSVTK-DJIMGWMZSA-N 1 3 338.496 0.953 20 0 ECADHO CN1CCN(CCCCNC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652155010 441021604 /nfs/dbraw/zinc/02/16/04/441021604.db2.gz UXRPYVWGRWUUQQ-UHFFFAOYSA-N 1 3 325.501 0.703 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCCN(CCCO)C2)c(F)c1 ZINC000652270139 441043856 /nfs/dbraw/zinc/04/38/56/441043856.db2.gz WSIXGRFLBUKIMI-HNNXBMFYSA-N 1 3 338.427 0.930 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)NCCC3CC[NH2+]CC3)C2)nn1 ZINC000652323394 441052555 /nfs/dbraw/zinc/05/25/55/441052555.db2.gz GRRGRHDIYGNUJS-HNNXBMFYSA-N 1 3 335.456 0.473 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000635974983 441055032 /nfs/dbraw/zinc/05/50/32/441055032.db2.gz GPGODCNVICXBCN-GOSISDBHSA-N 1 3 341.496 0.916 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000635974983 441055034 /nfs/dbraw/zinc/05/50/34/441055034.db2.gz GPGODCNVICXBCN-GOSISDBHSA-N 1 3 341.496 0.916 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000662630956 441079264 /nfs/dbraw/zinc/07/92/64/441079264.db2.gz JHXDATGOCHYVDE-HDMKZQKVSA-N 1 3 340.512 0.519 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000339581958 320987578 /nfs/dbraw/zinc/98/75/78/320987578.db2.gz OWHBOQPXCBRVHM-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000339933264 321004502 /nfs/dbraw/zinc/00/45/02/321004502.db2.gz KZYBVRVLGNPNPQ-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000340256289 321030600 /nfs/dbraw/zinc/03/06/00/321030600.db2.gz PIHXNDKRGUHDEM-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000340267346 321032923 /nfs/dbraw/zinc/03/29/23/321032923.db2.gz OQGIUDAKKQTBGH-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO CCN(CC)C(=O)C[C@@H](C)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341418725 321056513 /nfs/dbraw/zinc/05/65/13/321056513.db2.gz FUHIOCSOBOJTIN-CABCVRRESA-N 1 3 326.485 0.810 20 0 ECADHO CCN(CC)C(=O)C[C@@H](C)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000341418725 321056515 /nfs/dbraw/zinc/05/65/15/321056515.db2.gz FUHIOCSOBOJTIN-CABCVRRESA-N 1 3 326.485 0.810 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000342903402 321109412 /nfs/dbraw/zinc/10/94/12/321109412.db2.gz LILRYTKMQUPJCD-UKRRQHHQSA-N 1 3 338.496 0.964 20 0 ECADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000344404140 321149986 /nfs/dbraw/zinc/14/99/86/321149986.db2.gz YPXZVFDHNCBLRS-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000346157390 321216506 /nfs/dbraw/zinc/21/65/06/321216506.db2.gz KKFKMZXUWWNMFY-QKPAOTATSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)CN(C)C)C1 ZINC000346157390 321216508 /nfs/dbraw/zinc/21/65/08/321216508.db2.gz KKFKMZXUWWNMFY-QKPAOTATSA-N 1 3 340.512 0.925 20 0 ECADHO O=C1CC[C@H]2CN(CCCCC[N@@H+]3CCN4C(=O)CC[C@H]4C3)CCN12 ZINC000346466062 321222630 /nfs/dbraw/zinc/22/26/30/321222630.db2.gz VTRHRZAHHYYWOI-IRXDYDNUSA-N 1 3 348.491 0.770 20 0 ECADHO O=C1CC[C@H]2CN(CCCCC[N@H+]3CCN4C(=O)CC[C@H]4C3)CCN12 ZINC000346466062 321222631 /nfs/dbraw/zinc/22/26/31/321222631.db2.gz VTRHRZAHHYYWOI-IRXDYDNUSA-N 1 3 348.491 0.770 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000347958297 321259226 /nfs/dbraw/zinc/25/92/26/321259226.db2.gz DWWJAXNCXYWTLP-RDBSUJKOSA-N 1 3 326.485 0.678 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CCN1C ZINC000347962596 321259851 /nfs/dbraw/zinc/25/98/51/321259851.db2.gz AMEMTMLJEAZFLI-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000352456253 321360686 /nfs/dbraw/zinc/36/06/86/321360686.db2.gz MYOAFNAOEDFTOK-HUUCEWRRSA-N 1 3 328.501 0.974 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000547439635 322127117 /nfs/dbraw/zinc/12/71/17/322127117.db2.gz LLSOTAGHRBJUOL-INMHGKMJSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000547439635 322127119 /nfs/dbraw/zinc/12/71/19/322127119.db2.gz LLSOTAGHRBJUOL-INMHGKMJSA-N 1 3 337.512 0.794 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)Cc1ccccc1 ZINC000550032502 322164631 /nfs/dbraw/zinc/16/46/31/322164631.db2.gz OXHPMAWEETWDCQ-QGZVFWFLSA-N 1 3 348.491 0.686 20 0 ECADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccncc1 ZINC000558088951 322213830 /nfs/dbraw/zinc/21/38/30/322213830.db2.gz YJNXYUMODBJNLN-MRXNPFEDSA-N 1 3 349.479 0.601 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000561243399 322257514 /nfs/dbraw/zinc/25/75/14/322257514.db2.gz KFRVASYCVNGABC-QLFBSQMISA-N 1 3 326.485 0.585 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000562744941 322283431 /nfs/dbraw/zinc/28/34/31/322283431.db2.gz RTAXSQIOYVZPEF-UHFFFAOYSA-N 1 3 332.448 0.975 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C ZINC000563147539 322301297 /nfs/dbraw/zinc/30/12/97/322301297.db2.gz JAMNFAPMPOKHMK-CABCVRRESA-N 1 3 326.485 0.443 20 0 ECADHO CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000563456704 322321611 /nfs/dbraw/zinc/32/16/11/322321611.db2.gz GOPBWTQYWLQUSC-INIZCTEOSA-N 1 3 344.459 0.588 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563620358 322334031 /nfs/dbraw/zinc/33/40/31/322334031.db2.gz IXYXJXCCAZANLL-ZNMIVQPWSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C[NH+]1CCCCC1 ZINC000564842445 322398331 /nfs/dbraw/zinc/39/83/31/322398331.db2.gz HPORUQZSIQZUIO-BHYGNILZSA-N 1 3 348.495 0.978 20 0 ECADHO Cc1c(C(=O)NC[C@@H](N)c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000564941999 322410995 /nfs/dbraw/zinc/41/09/95/322410995.db2.gz CNXLFTIOJHWYJC-OAHLLOKOSA-N 1 3 328.420 0.941 20 0 ECADHO O=C(Nc1ccc(O)cc1)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000569694803 322662023 /nfs/dbraw/zinc/66/20/23/322662023.db2.gz QIOBNRWSKVVMBK-UHFFFAOYSA-N 1 3 332.448 0.948 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000572961081 322754006 /nfs/dbraw/zinc/75/40/06/322754006.db2.gz YDHQWAWFEPDHST-YOEHRIQHSA-N 1 3 346.475 0.918 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000578442597 322864412 /nfs/dbraw/zinc/86/44/12/322864412.db2.gz ZKDCYMMOHKZZSI-UHFFFAOYSA-N 1 3 345.513 0.728 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCc3ccccc3)C[C@H]2O)C1 ZINC001078005998 782119721 /nfs/dbraw/zinc/11/97/21/782119721.db2.gz PGBSEPUGWZQOOX-KZNAEPCWSA-N 1 3 331.460 0.732 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCc3ccccc3)C[C@H]2O)C1 ZINC001078005998 782119726 /nfs/dbraw/zinc/11/97/26/782119726.db2.gz PGBSEPUGWZQOOX-KZNAEPCWSA-N 1 3 331.460 0.732 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000167405299 528084363 /nfs/dbraw/zinc/08/43/63/528084363.db2.gz XZWWCRQXDRXJFJ-UHFFFAOYSA-N 1 3 332.448 0.772 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000342988162 546089436 /nfs/dbraw/zinc/08/94/36/546089436.db2.gz NLHZKAFWKCYCSH-CVEARBPZSA-N 1 3 340.512 0.927 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000342988162 546089440 /nfs/dbraw/zinc/08/94/40/546089440.db2.gz NLHZKAFWKCYCSH-CVEARBPZSA-N 1 3 340.512 0.927 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000343003048 546092057 /nfs/dbraw/zinc/09/20/57/546092057.db2.gz CHAAZGNRFNKAMW-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)C2)C1 ZINC000622031025 546611897 /nfs/dbraw/zinc/61/18/97/546611897.db2.gz FSJBJAAOXZGABH-JLSDUUJJSA-N 1 3 334.464 0.271 20 0 ECADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccnc2)CC1(C)C ZINC000623469062 546791452 /nfs/dbraw/zinc/79/14/52/546791452.db2.gz OOGUNKYFVHYKII-ZDUSSCGKSA-N 1 3 326.466 0.822 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000625460539 547107164 /nfs/dbraw/zinc/10/71/64/547107164.db2.gz PLRSLPPTNSHFMK-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CC=CCC1 ZINC000625465110 547107744 /nfs/dbraw/zinc/10/77/44/547107744.db2.gz DONAFSFIENFUSU-INIZCTEOSA-N 1 3 338.496 0.801 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCN(CC)C1 ZINC000668499595 547670834 /nfs/dbraw/zinc/67/08/34/547670834.db2.gz HWRSAMDNRBDMCP-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCN(CC)C1 ZINC000668499595 547670837 /nfs/dbraw/zinc/67/08/37/547670837.db2.gz HWRSAMDNRBDMCP-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)C[NH+]1CCCC1 ZINC000668581492 547691882 /nfs/dbraw/zinc/69/18/82/547691882.db2.gz FJJGJEUFFQLPDX-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000668777262 547746500 /nfs/dbraw/zinc/74/65/00/547746500.db2.gz OXAHCQZLTOUYSQ-GPANFISMSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCN(CC)C1 ZINC000668824014 547758707 /nfs/dbraw/zinc/75/87/07/547758707.db2.gz DNXDWYYHKBRGBO-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCN(CC)C1 ZINC000668824014 547758710 /nfs/dbraw/zinc/75/87/10/547758710.db2.gz DNXDWYYHKBRGBO-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000669496358 547899292 /nfs/dbraw/zinc/89/92/92/547899292.db2.gz CDKICNFWDQXRKU-YOEHRIQHSA-N 1 3 346.475 0.843 20 0 ECADHO O=C(NCC[NH2+]C1CC1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000669556142 547906060 /nfs/dbraw/zinc/90/60/60/547906060.db2.gz YTVMNURQBLUCJS-QGZVFWFLSA-N 1 3 332.448 0.804 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000670545101 548030448 /nfs/dbraw/zinc/03/04/48/548030448.db2.gz UWDSHTOOJCXGED-HNNXBMFYSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000670782672 548047616 /nfs/dbraw/zinc/04/76/16/548047616.db2.gz CNQBDZBNEVVSSD-AWEZNQCLSA-N 1 3 336.480 0.720 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670983084 548075000 /nfs/dbraw/zinc/07/50/00/548075000.db2.gz DBZOXNVRMDVBIQ-INIZCTEOSA-N 1 3 336.480 0.435 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670983084 548075004 /nfs/dbraw/zinc/07/50/04/548075004.db2.gz DBZOXNVRMDVBIQ-INIZCTEOSA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000670997048 548078309 /nfs/dbraw/zinc/07/83/09/548078309.db2.gz UKHLCHBPPAFBQB-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)NC1CCN(C2CC2)CC1 ZINC000671180083 548105045 /nfs/dbraw/zinc/10/50/45/548105045.db2.gz FHNACUQEBYNPJD-HOTGVXAUSA-N 1 3 334.464 0.472 20 0 ECADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)NC1CCN(C2CC2)CC1 ZINC000671180083 548105046 /nfs/dbraw/zinc/10/50/46/548105046.db2.gz FHNACUQEBYNPJD-HOTGVXAUSA-N 1 3 334.464 0.472 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672007994 548253175 /nfs/dbraw/zinc/25/31/75/548253175.db2.gz OAZJBOZIXOKEOC-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672307047 548303456 /nfs/dbraw/zinc/30/34/56/548303456.db2.gz JPFGZBPCRVHVED-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672307047 548303457 /nfs/dbraw/zinc/30/34/57/548303457.db2.gz JPFGZBPCRVHVED-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)(C)C[NH+](C)C ZINC000672312461 548309399 /nfs/dbraw/zinc/30/93/99/548309399.db2.gz PCHOIQRTSCNLLM-UKRRQHHQSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[N@@H+]1C ZINC000672311997 548310163 /nfs/dbraw/zinc/31/01/63/548310163.db2.gz PQBBZFOXZUTMKT-FVQBIDKESA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[N@H+]1C ZINC000672311997 548310167 /nfs/dbraw/zinc/31/01/67/548310167.db2.gz PQBBZFOXZUTMKT-FVQBIDKESA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCN1C ZINC000672593746 548357190 /nfs/dbraw/zinc/35/71/90/548357190.db2.gz PAYRWBQDMHZNDW-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO NC(=O)[C@@H]1CCCN1C1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000678887893 549057780 /nfs/dbraw/zinc/05/77/80/549057780.db2.gz MJPDSOFCKZSWBY-BBWFWOEESA-N 1 3 336.480 0.264 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000679380508 549086740 /nfs/dbraw/zinc/08/67/40/549086740.db2.gz JHUYVFDXFFXTKG-QGZVFWFLSA-N 1 3 337.512 0.750 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000679380508 549086745 /nfs/dbraw/zinc/08/67/45/549086745.db2.gz JHUYVFDXFFXTKG-QGZVFWFLSA-N 1 3 337.512 0.750 20 0 ECADHO COC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000684004312 549547399 /nfs/dbraw/zinc/54/73/99/549547399.db2.gz ZAIBYQWCZCXIES-LSDHHAIUSA-N 1 3 330.473 0.315 20 0 ECADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000685302082 549676104 /nfs/dbraw/zinc/67/61/04/549676104.db2.gz WVIYGDCDTQYZPG-MXASKKJJSA-N 1 3 348.491 0.671 20 0 ECADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000685302082 549676110 /nfs/dbraw/zinc/67/61/10/549676110.db2.gz WVIYGDCDTQYZPG-MXASKKJJSA-N 1 3 348.491 0.671 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000685760182 549716741 /nfs/dbraw/zinc/71/67/41/549716741.db2.gz UYWFJNLBPSMDCT-ZDUSSCGKSA-N 1 3 338.456 0.228 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000685760182 549716743 /nfs/dbraw/zinc/71/67/43/549716743.db2.gz UYWFJNLBPSMDCT-ZDUSSCGKSA-N 1 3 338.456 0.228 20 0 ECADHO C[C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)CN1CCN(C)CC1 ZINC000727085288 578155683 /nfs/dbraw/zinc/15/56/83/578155683.db2.gz QKMDYWHLFOQHIT-OAHLLOKOSA-N 1 3 343.585 0.922 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=S)NCCN(C)C)CC1 ZINC000795138886 578606015 /nfs/dbraw/zinc/60/60/15/578606015.db2.gz NFMIJLZTZDBXGZ-UHFFFAOYSA-N 1 3 346.541 0.482 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793705666 578936275 /nfs/dbraw/zinc/93/62/75/578936275.db2.gz AWGXHLGZHYKTPN-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793705595 578936299 /nfs/dbraw/zinc/93/62/99/578936299.db2.gz AGCUHBPQYFLCGT-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)N1CCCCC1 ZINC000793725328 578937868 /nfs/dbraw/zinc/93/78/68/578937868.db2.gz ZEVJKNYHJNIPNA-OAGGEKHMSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)[NH+]1CCC(N2CCN(C(=S)NCCN(C)C)CC2)CC1 ZINC000771122207 579185060 /nfs/dbraw/zinc/18/50/60/579185060.db2.gz RNAZAXXQOMVWAD-UHFFFAOYSA-N 1 3 341.569 0.913 20 0 ECADHO C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841008363 588976123 /nfs/dbraw/zinc/97/61/23/588976123.db2.gz YRQFQZWPCSTQCC-CQSZACIVSA-N 1 3 348.447 0.953 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000841787713 589000818 /nfs/dbraw/zinc/00/08/18/589000818.db2.gz ACACCVKVDHKURH-YESZJQIVSA-N 1 3 336.480 0.881 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842015932 589008113 /nfs/dbraw/zinc/00/81/13/589008113.db2.gz PJJXRRJPXPEXIS-GJZGRUSLSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842053180 589009772 /nfs/dbraw/zinc/00/97/72/589009772.db2.gz KUFJXWAWIMNBHQ-WXLSXGNJSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)N(C)C1CC1 ZINC000842193809 589019713 /nfs/dbraw/zinc/01/97/13/589019713.db2.gz AUIIEMLMFXGBGF-CYBMUJFWSA-N 1 3 332.448 0.403 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000891483853 586170799 /nfs/dbraw/zinc/17/07/99/586170799.db2.gz SDORQZTXPDTJFO-RDBSUJKOSA-N 1 3 325.457 0.060 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)NCCC(C)(C)[NH3+])CC1 ZINC000891536867 586174712 /nfs/dbraw/zinc/17/47/12/586174712.db2.gz WCXCAMVUCOOXND-UHFFFAOYSA-N 1 3 327.473 0.356 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891574984 586178558 /nfs/dbraw/zinc/17/85/58/586178558.db2.gz CMWRRXRYXHHGLL-DLBZAZTESA-N 1 3 332.448 0.721 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC2(CCOC)CC[NH2+]CC2)C1 ZINC000891576706 586179003 /nfs/dbraw/zinc/17/90/03/586179003.db2.gz NKBHIAHJRUJLRN-CQSZACIVSA-N 1 3 328.457 0.165 20 0 ECADHO [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000891766878 586195499 /nfs/dbraw/zinc/19/54/99/586195499.db2.gz YOLQRVHHAQHZGJ-KBRIMQKVSA-N 1 3 332.448 0.790 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCOCCN3)CC2)CC1 ZINC000892522175 586271418 /nfs/dbraw/zinc/27/14/18/586271418.db2.gz RSWIWBAMIFHPBI-UHFFFAOYSA-N 1 3 325.457 0.091 20 0 ECADHO CC[N@H+](CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C(C)C ZINC000892669892 586281382 /nfs/dbraw/zinc/28/13/82/586281382.db2.gz MQMKDNPAFMOTLJ-HZPDHXFCSA-N 1 3 326.485 0.957 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C(C)C ZINC000892669892 586281383 /nfs/dbraw/zinc/28/13/83/586281383.db2.gz MQMKDNPAFMOTLJ-HZPDHXFCSA-N 1 3 326.485 0.957 20 0 ECADHO CCn1cc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000892758438 586288073 /nfs/dbraw/zinc/28/80/73/586288073.db2.gz OMHDZWKVBPNUCZ-UHFFFAOYSA-N 1 3 329.452 0.995 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000897313544 586296909 /nfs/dbraw/zinc/29/69/09/586296909.db2.gz GRICSYQBENNHQW-OAHLLOKOSA-N 1 3 347.463 0.577 20 0 ECADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000897397714 586309835 /nfs/dbraw/zinc/30/98/35/586309835.db2.gz HQICOHHBRBQSAU-SJLPKXTDSA-N 1 3 335.448 0.917 20 0 ECADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000897397714 586309837 /nfs/dbraw/zinc/30/98/37/586309837.db2.gz HQICOHHBRBQSAU-SJLPKXTDSA-N 1 3 335.448 0.917 20 0 ECADHO C[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)CN1CCN(C)CC1 ZINC000893237596 586318538 /nfs/dbraw/zinc/31/85/38/586318538.db2.gz PCVIISRKJCWFHE-SOLBZPMBSA-N 1 3 337.512 0.463 20 0 ECADHO C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)CN1CCN(C)CC1 ZINC000893237596 586318540 /nfs/dbraw/zinc/31/85/40/586318540.db2.gz PCVIISRKJCWFHE-SOLBZPMBSA-N 1 3 337.512 0.463 20 0 ECADHO C[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1)CN1CCN(C)CC1 ZINC000893239233 586318553 /nfs/dbraw/zinc/31/85/53/586318553.db2.gz ZASAKFUTHQRGKK-HZPDHXFCSA-N 1 3 325.501 0.511 20 0 ECADHO C[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](C)C1)CN1CCN(C)CC1 ZINC000893239233 586318555 /nfs/dbraw/zinc/31/85/55/586318555.db2.gz ZASAKFUTHQRGKK-HZPDHXFCSA-N 1 3 325.501 0.511 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)CN1CCN(C)CC1 ZINC000893237585 586318713 /nfs/dbraw/zinc/31/87/13/586318713.db2.gz OWSPMDGIOUBGKH-BRWVUGGUSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)CN1CCN(C)CC1 ZINC000893237585 586318715 /nfs/dbraw/zinc/31/87/15/586318715.db2.gz OWSPMDGIOUBGKH-BRWVUGGUSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000897473078 586328536 /nfs/dbraw/zinc/32/85/36/586328536.db2.gz VKOAXKJUBSQTIP-KGLIPLIRSA-N 1 3 325.457 0.090 20 0 ECADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000897473078 586328538 /nfs/dbraw/zinc/32/85/38/586328538.db2.gz VKOAXKJUBSQTIP-KGLIPLIRSA-N 1 3 325.457 0.090 20 0 ECADHO CN1C[C@H]2[C@@H](CCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000893742460 586355653 /nfs/dbraw/zinc/35/56/53/586355653.db2.gz JZFLRLMWETWLJM-ORQFMDKSSA-N 1 3 336.480 0.710 20 0 ECADHO CN1C[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[C@@H]2C1 ZINC000893742463 586355872 /nfs/dbraw/zinc/35/58/72/586355872.db2.gz JZFLRLMWETWLJM-SVGFKBNWSA-N 1 3 336.480 0.710 20 0 ECADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000893867890 586364407 /nfs/dbraw/zinc/36/44/07/586364407.db2.gz TTYIGLYZFIZRPX-SJORKVTESA-N 1 3 337.512 0.891 20 0 ECADHO COC(=O)[C@@H]1[C@H](C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)C1(F)F ZINC000894242516 586382169 /nfs/dbraw/zinc/38/21/69/586382169.db2.gz NWEJOHMOXGBHHF-SRVKXCTJSA-N 1 3 333.379 0.218 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900561968 586641759 /nfs/dbraw/zinc/64/17/59/586641759.db2.gz TYSHHJXBWLCWTG-DLBZAZTESA-N 1 3 348.491 0.770 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900561968 586641760 /nfs/dbraw/zinc/64/17/60/586641760.db2.gz TYSHHJXBWLCWTG-DLBZAZTESA-N 1 3 348.491 0.770 20 0 ECADHO CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)CN2CCN(C)CC2)CC1 ZINC000900612984 586645602 /nfs/dbraw/zinc/64/56/02/586645602.db2.gz GQECUNPITKJMPW-QGZVFWFLSA-N 1 3 339.528 0.155 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C12CCN(CC1)C2 ZINC000900709471 586658152 /nfs/dbraw/zinc/65/81/52/586658152.db2.gz IWZNLZBUYKAAKQ-HNNXBMFYSA-N 1 3 346.475 0.237 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000900726199 586659693 /nfs/dbraw/zinc/65/96/93/586659693.db2.gz UBNDCSKEBGVHCB-SJLPKXTDSA-N 1 3 338.496 0.072 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000900726199 586659694 /nfs/dbraw/zinc/65/96/94/586659694.db2.gz UBNDCSKEBGVHCB-SJLPKXTDSA-N 1 3 338.496 0.072 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000900760487 586660387 /nfs/dbraw/zinc/66/03/87/586660387.db2.gz WERHETBTZFAZJN-CRAIPNDOSA-N 1 3 339.480 0.450 20 0 ECADHO CN1CCC2(CC1)CN(C(=S)NCC1CC[NH+](C)CC1)CCO2 ZINC000843283802 589059345 /nfs/dbraw/zinc/05/93/45/589059345.db2.gz JBACKRRBZUZVDB-UHFFFAOYSA-N 1 3 340.537 0.999 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000901107224 586693567 /nfs/dbraw/zinc/69/35/67/586693567.db2.gz VPPSDMDAIVXBNX-ZACQAIPSSA-N 1 3 348.491 0.768 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000901107224 586693568 /nfs/dbraw/zinc/69/35/68/586693568.db2.gz VPPSDMDAIVXBNX-ZACQAIPSSA-N 1 3 348.491 0.768 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903750953 586804706 /nfs/dbraw/zinc/80/47/06/586804706.db2.gz YXYOGINJOMBWNC-CQSZACIVSA-N 1 3 326.485 0.763 20 0 ECADHO COCC(COC)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903770307 586810511 /nfs/dbraw/zinc/81/05/11/586810511.db2.gz WQWGNONEJLNAHQ-CQSZACIVSA-N 1 3 337.468 0.660 20 0 ECADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790333 586812860 /nfs/dbraw/zinc/81/28/60/586812860.db2.gz CGPKZPCMKIVXAG-KGLIPLIRSA-N 1 3 338.496 0.796 20 0 ECADHO Nc1nc(C2CC2)nc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000903824183 586817973 /nfs/dbraw/zinc/81/79/73/586817973.db2.gz MTUYFOBCKCNUQO-CYBMUJFWSA-N 1 3 331.468 0.843 20 0 ECADHO CN(C)[S@@](C)(=O)=NCC1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903870800 586821390 /nfs/dbraw/zinc/82/13/90/586821390.db2.gz JQEHSYWHKKFUDO-WNSKOXEYSA-N 1 3 344.525 0.651 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000903880542 586822797 /nfs/dbraw/zinc/82/27/97/586822797.db2.gz TVFKKLDDTKOUTQ-FUHWJXTLSA-N 1 3 348.495 0.889 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCN(C2CCOCC2)CC1 ZINC000903897491 586824094 /nfs/dbraw/zinc/82/40/94/586824094.db2.gz ZQEGCLBHJCZQLP-MRXNPFEDSA-N 1 3 334.468 0.499 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@H+](CCN2CCOCC2)CC2CC2)cnn1C ZINC000903933278 586826722 /nfs/dbraw/zinc/82/67/22/586826722.db2.gz NWWVZWCHTRQGMY-SFHVURJKSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@@H+](CCN2CCOCC2)CC2CC2)cnn1C ZINC000903933278 586826723 /nfs/dbraw/zinc/82/67/23/586826723.db2.gz NWWVZWCHTRQGMY-SFHVURJKSA-N 1 3 349.523 0.890 20 0 ECADHO CC1(C)CCN(CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000904511919 586839208 /nfs/dbraw/zinc/83/92/08/586839208.db2.gz VHRVDMXPGCYQKJ-UHFFFAOYSA-N 1 3 347.467 0.740 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904512226 586839715 /nfs/dbraw/zinc/83/97/15/586839715.db2.gz WEYAMRCZLJUKBN-DLBZAZTESA-N 1 3 345.447 0.790 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904512226 586839717 /nfs/dbraw/zinc/83/97/17/586839717.db2.gz WEYAMRCZLJUKBN-DLBZAZTESA-N 1 3 345.447 0.790 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)[C@@H]1CN ZINC000904965070 586856567 /nfs/dbraw/zinc/85/65/67/586856567.db2.gz PSKUXYMFRWPUOI-UONOGXRCSA-N 1 3 326.485 0.618 20 0 ECADHO NC[C@@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000905000861 586857644 /nfs/dbraw/zinc/85/76/44/586857644.db2.gz MKHSGHBUOUZHPJ-APWZRJJASA-N 1 3 348.491 0.661 20 0 ECADHO O=C1COc2ccccc2CN1CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000905516593 586899094 /nfs/dbraw/zinc/89/90/94/586899094.db2.gz MMRSHLQDLBWQHI-INIZCTEOSA-N 1 3 333.432 0.454 20 0 ECADHO CN(C)CCNC(=S)NCc1ccncc1OCCC[NH+](C)C ZINC000809161761 587171250 /nfs/dbraw/zinc/17/12/50/587171250.db2.gz JICRFKZCXYERFI-UHFFFAOYSA-N 1 3 339.509 0.938 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817966216 587393864 /nfs/dbraw/zinc/39/38/64/587393864.db2.gz IZOCYKLFTZFAHN-IIDMSEBBSA-N 1 3 334.464 0.426 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)C2)C1 ZINC000817993896 587395658 /nfs/dbraw/zinc/39/56/58/587395658.db2.gz SSJOHXWVFQZTMC-ROUUACIJSA-N 1 3 334.464 0.285 20 0 ECADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000844171305 589098365 /nfs/dbraw/zinc/09/83/65/589098365.db2.gz ORGIDBKWYCMBIT-UONOGXRCSA-N 1 3 331.407 0.991 20 0 ECADHO CON(C)C(=O)CC[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000818955880 587462066 /nfs/dbraw/zinc/46/20/66/587462066.db2.gz DJPZMFNDMMFJKU-UHFFFAOYSA-N 1 3 334.464 0.934 20 0 ECADHO CON(C)C(=O)CCNCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000819008086 587464421 /nfs/dbraw/zinc/46/44/21/587464421.db2.gz UPKDYHMXYMUCDL-UHFFFAOYSA-N 1 3 336.436 0.478 20 0 ECADHO CN(C)C1(CNC(=O)CO[C@@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000844186569 589100984 /nfs/dbraw/zinc/10/09/84/589100984.db2.gz ZXUGNMTVIVGMNG-QGZVFWFLSA-N 1 3 331.460 0.970 20 0 ECADHO CC(C)(C)[NH2+]CCC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000820442476 587534197 /nfs/dbraw/zinc/53/41/97/587534197.db2.gz TYZSVUWSSWGPRS-UHFFFAOYSA-N 1 3 326.485 0.873 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000825702233 587956726 /nfs/dbraw/zinc/95/67/26/587956726.db2.gz QCLPFGFZRJUUOM-GJZGRUSLSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000825702233 587956727 /nfs/dbraw/zinc/95/67/27/587956727.db2.gz QCLPFGFZRJUUOM-GJZGRUSLSA-N 1 3 339.484 0.480 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCN(CC)C1 ZINC000828283806 588169835 /nfs/dbraw/zinc/16/98/35/588169835.db2.gz KMNJPRQUQFWNEL-XHSDSOJGSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)c2cccc(C[NH3+])c2)cn1 ZINC000830428573 588372204 /nfs/dbraw/zinc/37/22/04/588372204.db2.gz IEPDAPIBJLAGGL-UHFFFAOYSA-N 1 3 344.419 0.272 20 0 ECADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(OCCO)CCOCC1 ZINC000848988131 589318336 /nfs/dbraw/zinc/31/83/36/589318336.db2.gz HQIUCSDQZUDMLW-AWEZNQCLSA-N 1 3 328.457 0.143 20 0 ECADHO [NH2+]=C(NCC1(CO)COC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849108977 589320531 /nfs/dbraw/zinc/32/05/31/589320531.db2.gz JTHRCYTVMFXXQY-UHFFFAOYSA-N 1 3 332.448 0.774 20 0 ECADHO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCN(C3CC3)C2)cn1 ZINC000849507521 589338751 /nfs/dbraw/zinc/33/87/51/589338751.db2.gz DAJFAFYOILLJDQ-HYVNUMGLSA-N 1 3 331.464 0.808 20 0 ECADHO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCN(C3CC3)C2)cn1 ZINC000849507521 589338753 /nfs/dbraw/zinc/33/87/53/589338753.db2.gz DAJFAFYOILLJDQ-HYVNUMGLSA-N 1 3 331.464 0.808 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000851682499 589412772 /nfs/dbraw/zinc/41/27/72/589412772.db2.gz UCVUKYOJJPDFSI-MAUKXSAKSA-N 1 3 334.464 0.873 20 0 ECADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000851689092 589415127 /nfs/dbraw/zinc/41/51/27/589415127.db2.gz JBVCXXCEXAKSFM-GJZGRUSLSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1NCC12CCOCC2 ZINC000852824436 589515341 /nfs/dbraw/zinc/51/53/41/589515341.db2.gz BNIRGFUGQAUQCT-HNNXBMFYSA-N 1 3 331.420 0.198 20 0 ECADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852907646 589524452 /nfs/dbraw/zinc/52/44/52/589524452.db2.gz ODEFFCYANXUCCL-HZPDHXFCSA-N 1 3 330.432 0.865 20 0 ECADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852907646 589524454 /nfs/dbraw/zinc/52/44/54/589524454.db2.gz ODEFFCYANXUCCL-HZPDHXFCSA-N 1 3 330.432 0.865 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853822014 589560879 /nfs/dbraw/zinc/56/08/79/589560879.db2.gz DIDMQSGGLUTZFM-CABCVRRESA-N 1 3 341.500 0.521 20 0 ECADHO CN(C)C[C@H](CO)NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000854463714 589587470 /nfs/dbraw/zinc/58/74/70/589587470.db2.gz FDURBJQUARBDDL-OJXHRBAXSA-N 1 3 335.448 0.679 20 0 ECADHO CC(C)(C)N1CC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000857841775 589713124 /nfs/dbraw/zinc/71/31/24/589713124.db2.gz FBTPILJIPNUATR-GJZGRUSLSA-N 1 3 336.480 0.800 20 0 ECADHO CC(C)(C)N1CC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000857841775 589713127 /nfs/dbraw/zinc/71/31/27/589713127.db2.gz FBTPILJIPNUATR-GJZGRUSLSA-N 1 3 336.480 0.800 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000858763959 589772723 /nfs/dbraw/zinc/77/27/23/589772723.db2.gz FAFVJJIUTZIDKW-CABCVRRESA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000858763959 589772726 /nfs/dbraw/zinc/77/27/26/589772726.db2.gz FAFVJJIUTZIDKW-CABCVRRESA-N 1 3 339.484 0.480 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868178053 589878352 /nfs/dbraw/zinc/87/83/52/589878352.db2.gz KBFDEGIAZNRCTA-JKSUJKDBSA-N 1 3 347.463 0.985 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC000861719431 589880018 /nfs/dbraw/zinc/88/00/18/589880018.db2.gz IDIZWQKPLPLVFE-OKYOBFRVSA-N 1 3 343.471 0.999 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC000861719431 589880019 /nfs/dbraw/zinc/88/00/19/589880019.db2.gz IDIZWQKPLPLVFE-OKYOBFRVSA-N 1 3 343.471 0.999 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1ccccc1 ZINC000861732819 589883228 /nfs/dbraw/zinc/88/32/28/589883228.db2.gz MBBBPDQLKPKNRS-GOEBONIOSA-N 1 3 334.464 0.991 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868358011 589896219 /nfs/dbraw/zinc/89/62/19/589896219.db2.gz BLWGDOLXXAFLKK-IRXDYDNUSA-N 1 3 344.459 0.192 20 0 ECADHO 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CN1C[C@H](O)C[C@H]1CNC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000924982916 611445523 /nfs/dbraw/zinc/44/55/23/611445523.db2.gz YLOMXADICKOTRH-HYHHROLSSA-N 1 3 347.459 0.821 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1=O ZINC000925344271 611472482 /nfs/dbraw/zinc/47/24/82/611472482.db2.gz SJSMORLRHYMQEB-KKUMJFAQSA-N 1 3 338.452 0.236 20 0 ECADHO O=C(CN1CCCC1)N1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000946802129 611489604 /nfs/dbraw/zinc/48/96/04/611489604.db2.gz YQVVVIWMWQKQHM-KRWDZBQOSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC000946801282 611490985 /nfs/dbraw/zinc/49/09/85/611490985.db2.gz GXFMXUFXVXXTMO-GOEBONIOSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC000946801282 611490988 /nfs/dbraw/zinc/49/09/88/611490988.db2.gz GXFMXUFXVXXTMO-GOEBONIOSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000931516450 611547546 /nfs/dbraw/zinc/54/75/46/611547546.db2.gz UBCVIAPAGPQFSC-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000931516450 611547547 /nfs/dbraw/zinc/54/75/47/611547547.db2.gz UBCVIAPAGPQFSC-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C)C1(C(=O)N2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)CCC1 ZINC000947069646 611559791 /nfs/dbraw/zinc/55/97/91/611559791.db2.gz ZQIZZAFOGUYQPA-UHFFFAOYSA-N 1 3 348.491 0.674 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCN3C3CCOCC3)C2)C1 ZINC000927635648 611622651 /nfs/dbraw/zinc/62/26/51/611622651.db2.gz UBLPDQKFBZBCJO-AEFFLSMTSA-N 1 3 336.480 0.977 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCN3C3CCOCC3)C2)C1 ZINC000927635648 611622655 /nfs/dbraw/zinc/62/26/55/611622655.db2.gz UBLPDQKFBZBCJO-AEFFLSMTSA-N 1 3 336.480 0.977 20 0 ECADHO COC(=O)CCNC(=O)CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925717492 608626781 /nfs/dbraw/zinc/62/67/81/608626781.db2.gz KKWAJXLHWLFKJY-GJZGRUSLSA-N 1 3 325.453 0.814 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCNCCNCC2)ccc1C[NH+](C)C ZINC000927884274 611651050 /nfs/dbraw/zinc/65/10/50/611651050.db2.gz SZMIPDNOVXQORG-UHFFFAOYSA-N 1 3 347.463 0.017 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933853374 608778536 /nfs/dbraw/zinc/77/85/36/608778536.db2.gz PJMLTFRTOOMLFS-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000928429097 611686862 /nfs/dbraw/zinc/68/68/62/611686862.db2.gz ZHNLOCWGYBQRNZ-AVGNSLFASA-N 1 3 328.457 0.650 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000928429097 611686863 /nfs/dbraw/zinc/68/68/63/611686863.db2.gz ZHNLOCWGYBQRNZ-AVGNSLFASA-N 1 3 328.457 0.650 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907806871 609620489 /nfs/dbraw/zinc/62/04/89/609620489.db2.gz IOOZIDGJXZSJPC-MAUKXSAKSA-N 1 3 339.480 0.545 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907806871 609620491 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/nfs/dbraw/zinc/93/39/95/609933995.db2.gz VDEJTXNHGIHASD-INIZCTEOSA-N 1 3 347.463 0.888 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC000938695956 609946411 /nfs/dbraw/zinc/94/64/11/609946411.db2.gz GTCIQLWGMNZRNV-OAGGEKHMSA-N 1 3 338.496 0.726 20 0 ECADHO CN(CCO)CCN(C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000912603500 609975990 /nfs/dbraw/zinc/97/59/90/609975990.db2.gz HYNTZOUHJZSFHS-OAHLLOKOSA-N 1 3 329.510 0.586 20 0 ECADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939911367 610166225 /nfs/dbraw/zinc/16/62/25/610166225.db2.gz TVAJTGNXXANZAU-JKSUJKDBSA-N 1 3 345.447 0.353 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N1CCCCC1 ZINC000939544332 610233025 /nfs/dbraw/zinc/23/30/25/610233025.db2.gz JNCBYKBOSZAQNX-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)CC[N@@H+]1C ZINC000941413131 610302849 /nfs/dbraw/zinc/30/28/49/610302849.db2.gz QWBHLNVAZPFFGG-CRAIPNDOSA-N 1 3 334.508 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ZINC000942435063 610460005 /nfs/dbraw/zinc/46/00/05/610460005.db2.gz QUNQQOXHUKTUBO-INMHGKMJSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC000941994139 610600112 /nfs/dbraw/zinc/60/01/12/610600112.db2.gz BETMOTMQCDCIRB-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC000941305051 610657738 /nfs/dbraw/zinc/65/77/38/610657738.db2.gz DORNYLBQAODLFH-CVEARBPZSA-N 1 3 336.480 0.386 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000943910685 611034970 /nfs/dbraw/zinc/03/49/70/611034970.db2.gz MOBNNVWUYFOJHP-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO NCC(C[NH3+])NCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000923354115 611233384 /nfs/dbraw/zinc/23/33/84/611233384.db2.gz JGPMGYPOLZMVPW-UHFFFAOYSA-N 1 3 337.493 0.050 20 0 ECADHO Cc1ccc([C@H](O)CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413766 611240657 /nfs/dbraw/zinc/24/06/57/611240657.db2.gz 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C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923611931 611329339 /nfs/dbraw/zinc/32/93/39/611329339.db2.gz ZDAPWYSEPBMEIX-JKSUJKDBSA-N 1 3 344.525 0.723 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)C(C)C ZINC000885161625 611349307 /nfs/dbraw/zinc/34/93/07/611349307.db2.gz HEDMLTKLUCFYCE-QGZVFWFLSA-N 1 3 346.475 0.664 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)C(C)C ZINC000885161625 611349308 /nfs/dbraw/zinc/34/93/08/611349308.db2.gz HEDMLTKLUCFYCE-QGZVFWFLSA-N 1 3 346.475 0.664 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933850205 611753270 /nfs/dbraw/zinc/75/32/70/611753270.db2.gz MHWRNHQEIFPSPU-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933853137 611753920 /nfs/dbraw/zinc/75/39/20/611753920.db2.gz HVSBNJNHHZGBHY-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(CN1CCCC1)N1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000948965449 611774116 /nfs/dbraw/zinc/77/41/16/611774116.db2.gz FUHPOIDHWHYQNI-UHFFFAOYSA-N 1 3 348.491 0.533 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC000949184467 611893110 /nfs/dbraw/zinc/89/31/10/611893110.db2.gz MROMIKRAXIQOHW-OSAQELSMSA-N 1 3 333.436 0.175 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC000949184467 611893112 /nfs/dbraw/zinc/89/31/12/611893112.db2.gz MROMIKRAXIQOHW-OSAQELSMSA-N 1 3 333.436 0.175 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1)N(C)C ZINC000954502845 612340010 /nfs/dbraw/zinc/34/00/10/612340010.db2.gz WBTRIZRUJYJITJ-HZPDHXFCSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1)N(C)C ZINC000954502845 612340016 /nfs/dbraw/zinc/34/00/16/612340016.db2.gz WBTRIZRUJYJITJ-HZPDHXFCSA-N 1 3 338.496 0.870 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000953904448 612417425 /nfs/dbraw/zinc/41/74/25/612417425.db2.gz CKLAZCXVCRHHLH-INIZCTEOSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000955927427 612493036 /nfs/dbraw/zinc/49/30/36/612493036.db2.gz ODUBQBVNCLMUMV-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC000954665731 612513286 /nfs/dbraw/zinc/51/32/86/612513286.db2.gz YUSCPEAIYVOQST-MRXNPFEDSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC000954704372 612569107 /nfs/dbraw/zinc/56/91/07/612569107.db2.gz CGOZJLGCYUBWIA-ZBFHGGJFSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC000954704372 612569109 /nfs/dbraw/zinc/56/91/09/612569109.db2.gz CGOZJLGCYUBWIA-ZBFHGGJFSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000954824975 612717353 /nfs/dbraw/zinc/71/73/53/612717353.db2.gz RGNKPLJJYIBHMM-HNNXBMFYSA-N 1 3 348.491 0.768 20 0 ECADHO CC1CCN(CC(=O)N2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000954315175 612844647 /nfs/dbraw/zinc/84/46/47/612844647.db2.gz CKTHPQYIWHABJO-HNNXBMFYSA-N 1 3 336.480 0.339 20 0 ECADHO CC1CCN(CC(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000954315175 612844650 /nfs/dbraw/zinc/84/46/50/612844650.db2.gz CKTHPQYIWHABJO-HNNXBMFYSA-N 1 3 336.480 0.339 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000954319761 612849392 /nfs/dbraw/zinc/84/93/92/612849392.db2.gz KZDOFSKUGVSHOL-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954319761 612849394 /nfs/dbraw/zinc/84/93/94/612849394.db2.gz KZDOFSKUGVSHOL-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000954322817 612853005 /nfs/dbraw/zinc/85/30/05/612853005.db2.gz VKXKAFABGMUCDT-CQSZACIVSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000954322817 612853009 /nfs/dbraw/zinc/85/30/09/612853009.db2.gz VKXKAFABGMUCDT-CQSZACIVSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000954406236 612894931 /nfs/dbraw/zinc/89/49/31/612894931.db2.gz QTEYVBZTWMUKSR-BMFZPTHFSA-N 1 3 338.496 0.582 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000954406236 612894933 /nfs/dbraw/zinc/89/49/33/612894933.db2.gz QTEYVBZTWMUKSR-BMFZPTHFSA-N 1 3 338.496 0.582 20 0 ECADHO [NH3+]Cc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncn1 ZINC001164740157 720666637 /nfs/dbraw/zinc/66/66/37/720666637.db2.gz QKQCEHZGHONUAK-KGLIPLIRSA-N 1 3 327.392 0.067 20 0 ECADHO Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)n1 ZINC000969135482 731517699 /nfs/dbraw/zinc/51/76/99/731517699.db2.gz KTQCUAROBJFJLX-UKRRQHHQSA-N 1 3 328.420 0.570 20 0 ECADHO Cc1nc2c([nH]1)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCn3cncn3)C1)CC2 ZINC000969135656 731517723 /nfs/dbraw/zinc/51/77/23/731517723.db2.gz MHWNNZTZWJVKSF-UONOGXRCSA-N 1 3 343.435 0.305 20 0 ECADHO Cc1nc2c([nH]1)CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCn3cncn3)C1)C2 ZINC000969135656 731517725 /nfs/dbraw/zinc/51/77/25/731517725.db2.gz MHWNNZTZWJVKSF-UONOGXRCSA-N 1 3 343.435 0.305 20 0 ECADHO CN(C)[C@@H](C(=O)NCC1([NH2+]CCOCCO)CCCCC1)C1CC1 ZINC001115573850 732055851 /nfs/dbraw/zinc/05/58/51/732055851.db2.gz VZBOYMZXFOSPPG-MRXNPFEDSA-N 1 3 341.496 0.744 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001078073446 782252385 /nfs/dbraw/zinc/25/23/85/782252385.db2.gz GWIBULRBOFDDBL-LBPRGKRZSA-N 1 3 335.452 0.613 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)c(C)n1 ZINC000969950458 732552836 /nfs/dbraw/zinc/55/28/36/732552836.db2.gz IIZAJZULQDNQRG-CZUORRHYSA-N 1 3 347.463 0.968 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)c(C)n1 ZINC000969950458 732552842 /nfs/dbraw/zinc/55/28/42/732552842.db2.gz IIZAJZULQDNQRG-CZUORRHYSA-N 1 3 347.463 0.968 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)n1 ZINC000969955273 732555669 /nfs/dbraw/zinc/55/56/69/732555669.db2.gz OEUMQDCYXJDTJC-CZUORRHYSA-N 1 3 334.468 0.427 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)C1 ZINC000969968187 732574366 /nfs/dbraw/zinc/57/43/66/732574366.db2.gz PGAFBIADMGPJLG-CABCVRRESA-N 1 3 346.479 0.688 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC[C@H]2C)C1)N(C)C ZINC000969990026 732596250 /nfs/dbraw/zinc/59/62/50/732596250.db2.gz QLWRARWHTDCTRE-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1)C(=O)N(C)C ZINC001167232422 733076621 /nfs/dbraw/zinc/07/66/21/733076621.db2.gz CAVWNKRWJDRXPW-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO CCS(=O)(=O)CCC[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211286194 734250906 /nfs/dbraw/zinc/25/09/06/734250906.db2.gz UECZIVLKEORAOV-HNNXBMFYSA-N 1 3 347.525 0.732 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](N(C)CCN2CCCC2=O)C1)[NH+](C)C ZINC000971731452 734999012 /nfs/dbraw/zinc/99/90/12/734999012.db2.gz VQTQGUXISUCBMF-RDJZCZTQSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCn2nc(C)nc2C)C1)N(C)C ZINC000971778622 735048109 /nfs/dbraw/zinc/04/81/09/735048109.db2.gz PFBXYOXCGYXICA-HZPDHXFCSA-N 1 3 336.484 0.768 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCn2nc(C)nc2C)C1)N(C)C ZINC000971778622 735048113 /nfs/dbraw/zinc/04/81/13/735048113.db2.gz PFBXYOXCGYXICA-HZPDHXFCSA-N 1 3 336.484 0.768 20 0 ECADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001087208785 735749419 /nfs/dbraw/zinc/74/94/19/735749419.db2.gz WMRDPPSBXRXEHX-VNQPRFMTSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC000972190515 735768988 /nfs/dbraw/zinc/76/89/88/735768988.db2.gz ZDERVSVRARNUGL-LSDHHAIUSA-N 1 3 348.447 0.718 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC000972190515 735768991 /nfs/dbraw/zinc/76/89/91/735768991.db2.gz ZDERVSVRARNUGL-LSDHHAIUSA-N 1 3 348.447 0.718 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000972330783 735955912 /nfs/dbraw/zinc/95/59/12/735955912.db2.gz HEATWWXUPHWFDG-WBVHZDCISA-N 1 3 346.475 0.902 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000972330783 735955913 /nfs/dbraw/zinc/95/59/13/735955913.db2.gz HEATWWXUPHWFDG-WBVHZDCISA-N 1 3 346.475 0.902 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001167626462 736147073 /nfs/dbraw/zinc/14/70/73/736147073.db2.gz BSVDQJVJKGJHAU-MRXNPFEDSA-N 1 3 338.496 0.871 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](CCO)C[C@@H](C)O)CC1 ZINC001098572395 736267917 /nfs/dbraw/zinc/26/79/17/736267917.db2.gz FRJVMMZJPLRFIC-WBVHZDCISA-N 1 3 341.496 0.527 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)C[C@@H](C)O)CC1 ZINC001098572395 736267921 /nfs/dbraw/zinc/26/79/21/736267921.db2.gz FRJVMMZJPLRFIC-WBVHZDCISA-N 1 3 341.496 0.527 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972482788 736316756 /nfs/dbraw/zinc/31/67/56/736316756.db2.gz MFNSYZQALPYPOC-INIZCTEOSA-N 1 3 334.468 0.543 20 0 ECADHO O=C(NC[C@H]1CCC[N@@H+](CCCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001023500389 736925717 /nfs/dbraw/zinc/92/57/17/736925717.db2.gz SKJKYKDEACVYOV-JBCIKUTRSA-N 1 3 337.464 0.060 20 0 ECADHO O=C(NC[C@H]1CCC[N@H+](CCCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001023500389 736925720 /nfs/dbraw/zinc/92/57/20/736925720.db2.gz SKJKYKDEACVYOV-JBCIKUTRSA-N 1 3 337.464 0.060 20 0 ECADHO O=C(N1CC[C@@]2(C1)CN(C[C@@H]1CCOC1)CCO2)C12CC[NH+](CC1)C2 ZINC000972640917 737205188 /nfs/dbraw/zinc/20/51/88/737205188.db2.gz OVDNFHPHBSKAQK-LPHOPBHVSA-N 1 3 349.475 0.422 20 0 ECADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738209 737574813 /nfs/dbraw/zinc/57/48/13/737574813.db2.gz SSPIBSYTLYLKBU-BFYDXBDKSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738209 737574816 /nfs/dbraw/zinc/57/48/16/737574816.db2.gz SSPIBSYTLYLKBU-BFYDXBDKSA-N 1 3 348.491 0.482 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001024017554 737621441 /nfs/dbraw/zinc/62/14/41/737621441.db2.gz FXYAQFPHZXFNNT-CJNGLKHVSA-N 1 3 334.468 0.484 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001024180315 737801660 /nfs/dbraw/zinc/80/16/60/737801660.db2.gz VGFYYMDYWULDMS-HUUCEWRRSA-N 1 3 347.463 0.697 20 0 ECADHO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100678483 738008936 /nfs/dbraw/zinc/00/89/36/738008936.db2.gz MOEZTXAJJSJMLZ-FVKWTLKZSA-N 1 3 342.459 0.429 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000988006662 751425965 /nfs/dbraw/zinc/42/59/65/751425965.db2.gz CQZVCHFLAPNQFS-HOTGVXAUSA-N 1 3 336.480 0.341 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000988006662 751425972 /nfs/dbraw/zinc/42/59/72/751425972.db2.gz CQZVCHFLAPNQFS-HOTGVXAUSA-N 1 3 336.480 0.341 20 0 ECADHO CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104691325 739489804 /nfs/dbraw/zinc/48/98/04/739489804.db2.gz NSYKSMWBNFJOGP-OAGGEKHMSA-N 1 3 340.512 0.927 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3cncc3c2)C1 ZINC001025472441 739629747 /nfs/dbraw/zinc/62/97/47/739629747.db2.gz QGIFQWUUMFENQG-ZFWWWQNUSA-N 1 3 343.431 0.911 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3cncc3c2)C1 ZINC001025472441 739629749 /nfs/dbraw/zinc/62/97/49/739629749.db2.gz QGIFQWUUMFENQG-ZFWWWQNUSA-N 1 3 343.431 0.911 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025782059 739940615 /nfs/dbraw/zinc/94/06/15/739940615.db2.gz XXKXEGIORHEFQU-DMRKSPOLSA-N 1 3 344.463 0.199 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025782059 739940617 /nfs/dbraw/zinc/94/06/17/739940617.db2.gz XXKXEGIORHEFQU-DMRKSPOLSA-N 1 3 344.463 0.199 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001025813358 739985578 /nfs/dbraw/zinc/98/55/78/739985578.db2.gz GCRDXNSNURTECH-BQJWPVKWSA-N 1 3 346.475 0.328 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001025813358 739985581 /nfs/dbraw/zinc/98/55/81/739985581.db2.gz GCRDXNSNURTECH-BQJWPVKWSA-N 1 3 346.475 0.328 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818059 739991540 /nfs/dbraw/zinc/99/15/40/739991540.db2.gz OJDAPIWEIMYUJG-SFFUCWETSA-N 1 3 343.475 0.946 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818059 739991545 /nfs/dbraw/zinc/99/15/45/739991545.db2.gz OJDAPIWEIMYUJG-SFFUCWETSA-N 1 3 343.475 0.946 20 0 ECADHO Cc1nocc1CNCC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167733265 740554037 /nfs/dbraw/zinc/55/40/37/740554037.db2.gz XBZYXHOAHUOYQG-UHFFFAOYSA-N 1 3 338.452 0.937 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001104937801 740976131 /nfs/dbraw/zinc/97/61/31/740976131.db2.gz HXBSKTHKQYPCST-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)[C@H]1CCCN1C ZINC000988148888 751618707 /nfs/dbraw/zinc/61/87/07/751618707.db2.gz TVPUZKRSUKSBCW-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)c1 ZINC001026427510 741356125 /nfs/dbraw/zinc/35/61/25/741356125.db2.gz OZNGVGFKYFPUFW-ULQDDVLXSA-N 1 3 344.459 0.674 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026559734 741559990 /nfs/dbraw/zinc/55/99/90/741559990.db2.gz RLMCOEZBCKTXMS-QWQCLYJRSA-N 1 3 342.459 0.701 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001026726757 741722927 /nfs/dbraw/zinc/72/29/27/741722927.db2.gz FFOSSEOHPFPXAO-HOTGVXAUSA-N 1 3 332.448 0.418 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001026735016 741733539 /nfs/dbraw/zinc/73/35/39/741733539.db2.gz XZSDQWBMPSQFLZ-RHSMWYFYSA-N 1 3 331.464 0.862 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001026735035 741733614 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ECADHO CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000974828153 742228510 /nfs/dbraw/zinc/22/85/10/742228510.db2.gz SVQFBOIMGJNGGR-NWPKHEMWSA-N 1 3 337.464 0.059 20 0 ECADHO CCc1nnc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1C ZINC001027064674 742433985 /nfs/dbraw/zinc/43/39/85/742433985.db2.gz IWHPBZMXXNABKY-GJZGRUSLSA-N 1 3 348.495 0.657 20 0 ECADHO CCc1nnc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1C ZINC001027064674 742433989 /nfs/dbraw/zinc/43/39/89/742433989.db2.gz IWHPBZMXXNABKY-GJZGRUSLSA-N 1 3 348.495 0.657 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)on1 ZINC001027065191 742435974 /nfs/dbraw/zinc/43/59/74/742435974.db2.gz SIQLPDZLFFCKLK-UONOGXRCSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)on1 ZINC001027065191 742435976 /nfs/dbraw/zinc/43/59/76/742435976.db2.gz SIQLPDZLFFCKLK-UONOGXRCSA-N 1 3 336.436 0.963 20 0 ECADHO COc1ncc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)n1 ZINC001027091621 742526270 /nfs/dbraw/zinc/52/62/70/742526270.db2.gz QSIJFYSGDVKAOY-ZDUSSCGKSA-N 1 3 344.419 0.698 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]21 ZINC000975209170 742606728 /nfs/dbraw/zinc/60/67/28/742606728.db2.gz CETSYNTWHSHAGF-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]21 ZINC000975209170 742606730 /nfs/dbraw/zinc/60/67/30/742606730.db2.gz CETSYNTWHSHAGF-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001020542136 751779306 /nfs/dbraw/zinc/77/93/06/751779306.db2.gz WRBAZVLVPSETBA-SHTZXODSSA-N 1 3 333.436 0.564 20 0 ECADHO Cn1c(Cl)cnc1CNC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027214920 743185807 /nfs/dbraw/zinc/18/58/07/743185807.db2.gz ACAGGUDDZDDMED-QWHCGFSZSA-N 1 3 339.871 0.963 20 0 ECADHO Cn1c(Cl)cnc1CNC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027214920 743185810 /nfs/dbraw/zinc/18/58/10/743185810.db2.gz ACAGGUDDZDDMED-QWHCGFSZSA-N 1 3 339.871 0.963 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000997367336 743538812 /nfs/dbraw/zinc/53/88/12/743538812.db2.gz ZTJSBGPCVVYGCP-MRXNPFEDSA-N 1 3 334.468 0.733 20 0 ECADHO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1 ZINC000997604564 743704646 /nfs/dbraw/zinc/70/46/46/743704646.db2.gz BGHYAWJWYLJTAL-MRXNPFEDSA-N 1 3 347.463 0.908 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)C1 ZINC001020588614 751851210 /nfs/dbraw/zinc/85/12/10/751851210.db2.gz GYOYZPUXCXEZLE-QKPAOTATSA-N 1 3 336.480 0.481 20 0 ECADHO CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001020589849 751853754 /nfs/dbraw/zinc/85/37/54/751853754.db2.gz FICRVZCORAPOKQ-FPCVCCKLSA-N 1 3 336.480 0.574 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001020593107 751865954 /nfs/dbraw/zinc/86/59/54/751865954.db2.gz XFCIXDHGRHLOTQ-CYUUQNCZSA-N 1 3 333.436 0.420 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001020593107 751865962 /nfs/dbraw/zinc/86/59/62/751865962.db2.gz XFCIXDHGRHLOTQ-CYUUQNCZSA-N 1 3 333.436 0.420 20 0 ECADHO Cn1cc(CN[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000999171221 744548020 /nfs/dbraw/zinc/54/80/20/744548020.db2.gz UZVJVLAWWPJRLW-IAGOWNOFSA-N 1 3 331.464 0.843 20 0 ECADHO CCN(CC)C[C@H](F)C(=O)NCC1CC([NH2+]CC(=O)NC(C)C)C1 ZINC001100377763 751941939 /nfs/dbraw/zinc/94/19/39/751941939.db2.gz KQELIZNTAQKDQC-NRXISQOPSA-N 1 3 344.475 0.675 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@@H+]4CCC[C@H]4C)C[C@H]32)C1 ZINC000977206321 744766676 /nfs/dbraw/zinc/76/66/76/744766676.db2.gz CXSYFYJSJXDXMV-RMWBKXBUSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@H+]4CCC[C@H]4C)C[C@H]32)C1 ZINC000977206321 744766680 /nfs/dbraw/zinc/76/66/80/744766680.db2.gz CXSYFYJSJXDXMV-RMWBKXBUSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000977203264 744783225 /nfs/dbraw/zinc/78/32/25/744783225.db2.gz MLQTVQFMIOWTQA-RFUJCOMKSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000977203264 744783228 /nfs/dbraw/zinc/78/32/28/744783228.db2.gz MLQTVQFMIOWTQA-RFUJCOMKSA-N 1 3 348.491 0.241 20 0 ECADHO O=C(CN[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1)N1CCC1 ZINC000999793282 744906090 /nfs/dbraw/zinc/90/60/90/744906090.db2.gz PYTNIROXZKREJW-AEFFLSMTSA-N 1 3 348.491 0.674 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999832799 744928001 /nfs/dbraw/zinc/92/80/01/744928001.db2.gz IUBOBNZKBDFVNW-UHFFFAOYSA-N 1 3 334.468 0.781 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999852562 744946721 /nfs/dbraw/zinc/94/67/21/744946721.db2.gz OWSMDYQEBPPJID-GOEBONIOSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999852562 744946725 /nfs/dbraw/zinc/94/67/25/744946725.db2.gz OWSMDYQEBPPJID-GOEBONIOSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001020675695 751959404 /nfs/dbraw/zinc/95/94/04/751959404.db2.gz BIJYYMYZGASJOS-FPCVCCKLSA-N 1 3 336.480 0.717 20 0 ECADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020676024 751959742 /nfs/dbraw/zinc/95/97/42/751959742.db2.gz OMUDKOJXISIFII-IIAWOOMASA-N 1 3 334.468 0.815 20 0 ECADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020676024 751959749 /nfs/dbraw/zinc/95/97/49/751959749.db2.gz OMUDKOJXISIFII-IIAWOOMASA-N 1 3 334.468 0.815 20 0 ECADHO O=C(N[C@H]1C[C@H](CNCc2cnns2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000983676173 745043733 /nfs/dbraw/zinc/04/37/33/745043733.db2.gz SYRQIRNGYDMWNL-UXIGCNINSA-N 1 3 335.477 0.864 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCNC1=O)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108883 745102301 /nfs/dbraw/zinc/10/23/01/745102301.db2.gz UJEFRMLROPBSQA-XJKSGUPXSA-N 1 3 336.480 0.576 20 0 ECADHO Cn1cc(CCN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000977605119 745256915 /nfs/dbraw/zinc/25/69/15/745256915.db2.gz XFTWVFGJOLQYPP-HZPDHXFCSA-N 1 3 333.480 0.741 20 0 ECADHO Cn1cc(CCN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000977605119 745256918 /nfs/dbraw/zinc/25/69/18/745256918.db2.gz XFTWVFGJOLQYPP-HZPDHXFCSA-N 1 3 333.480 0.741 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001000189813 745325876 /nfs/dbraw/zinc/32/58/76/745325876.db2.gz FAXXADIHLPHIRI-NVXWUHKLSA-N 1 3 333.480 0.885 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001000190689 745326797 /nfs/dbraw/zinc/32/67/97/745326797.db2.gz HGEUEOAFKWFJPS-NVXWUHKLSA-N 1 3 346.475 0.808 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001000200033 745339063 /nfs/dbraw/zinc/33/90/63/745339063.db2.gz OJTUWIIVMBSOQM-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)CC1 ZINC001000380067 745463573 /nfs/dbraw/zinc/46/35/73/745463573.db2.gz SZUTVIWBZOJMRT-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001000547075 745584365 /nfs/dbraw/zinc/58/43/65/745584365.db2.gz RMRQIWWYGDLDJV-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001020720167 752029605 /nfs/dbraw/zinc/02/96/05/752029605.db2.gz WPOBKTGVLAYDGE-IXYNUQLISA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001020720167 752029608 /nfs/dbraw/zinc/02/96/08/752029608.db2.gz WPOBKTGVLAYDGE-IXYNUQLISA-N 1 3 332.452 0.569 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]2CN(C)C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC000978069546 745875481 /nfs/dbraw/zinc/87/54/81/745875481.db2.gz OKAPHRDEDMAJED-HNNXBMFYSA-N 1 3 348.491 0.626 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001001007392 745972388 /nfs/dbraw/zinc/97/23/88/745972388.db2.gz JFRUIBNSIGTOMI-HOTGVXAUSA-N 1 3 334.468 0.733 20 0 ECADHO CCn1nncc1CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029996 746515363 /nfs/dbraw/zinc/51/53/63/746515363.db2.gz LGYPFWLTLYVTIM-ZBFHGGJFSA-N 1 3 334.468 0.911 20 0 ECADHO CCn1nncc1CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029996 746515366 /nfs/dbraw/zinc/51/53/66/746515366.db2.gz LGYPFWLTLYVTIM-ZBFHGGJFSA-N 1 3 334.468 0.911 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001645770 746567562 /nfs/dbraw/zinc/56/75/62/746567562.db2.gz LLAMOXGQOUJEEZ-VADGTKANSA-N 1 3 337.464 0.059 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027652564 746581370 /nfs/dbraw/zinc/58/13/70/746581370.db2.gz RZUNWZNQMGUMNI-CVEARBPZSA-N 1 3 334.468 0.543 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027652564 746581376 /nfs/dbraw/zinc/58/13/76/746581376.db2.gz RZUNWZNQMGUMNI-CVEARBPZSA-N 1 3 334.468 0.543 20 0 ECADHO 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ZINC000985472494 748207544 /nfs/dbraw/zinc/20/75/44/748207544.db2.gz FTHVLXFAWUWECX-OAHLLOKOSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(N(C)[C@@H](C)C(N)=O)CC2)C1 ZINC000985594586 748702401 /nfs/dbraw/zinc/70/24/01/748702401.db2.gz XLKRZCUAFJLPOA-GJZGRUSLSA-N 1 3 338.496 0.905 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC(N(C)[C@@H](C)C(N)=O)CC2)C1 ZINC000985594586 748702406 /nfs/dbraw/zinc/70/24/06/748702406.db2.gz XLKRZCUAFJLPOA-GJZGRUSLSA-N 1 3 338.496 0.905 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001003633894 748746240 /nfs/dbraw/zinc/74/62/40/748746240.db2.gz IRPJQEJSPOWLGC-CXAGYDPISA-N 1 3 348.495 0.673 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001003633894 748746244 /nfs/dbraw/zinc/74/62/44/748746244.db2.gz IRPJQEJSPOWLGC-CXAGYDPISA-N 1 3 348.495 0.673 20 0 ECADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000985751093 749011566 /nfs/dbraw/zinc/01/15/66/749011566.db2.gz 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C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001004455492 749520757 /nfs/dbraw/zinc/52/07/57/749520757.db2.gz KHCJBKVKXCSPCD-ZFWWWQNUSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001004455492 749520762 /nfs/dbraw/zinc/52/07/62/749520762.db2.gz KHCJBKVKXCSPCD-ZFWWWQNUSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004545455 749607670 /nfs/dbraw/zinc/60/76/70/749607670.db2.gz CNDVPQRNGKEJSS-GOEBONIOSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004545455 749607675 /nfs/dbraw/zinc/60/76/75/749607675.db2.gz CNDVPQRNGKEJSS-GOEBONIOSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H]1C[C@H](CNCc2nncn2C)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000980700764 749983508 /nfs/dbraw/zinc/98/35/08/749983508.db2.gz SNTRKQSBYPHMRU-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[C@H](CNCc2nncn2C)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000980700764 749983512 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ITYZGUSEICSCTQ-XHSDSOJGSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCN(C[C@H](O)Cn3cccn3)CC2)C1 ZINC000989482436 754020105 /nfs/dbraw/zinc/02/01/05/754020105.db2.gz CODYAVZEWIYZFR-SJORKVTESA-N 1 3 349.479 0.120 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCCN(C[C@H](O)Cn3cccn3)CC2)C1 ZINC000989482436 754020110 /nfs/dbraw/zinc/02/01/10/754020110.db2.gz CODYAVZEWIYZFR-SJORKVTESA-N 1 3 349.479 0.120 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000989489052 754030254 /nfs/dbraw/zinc/03/02/54/754030254.db2.gz WFIYZGXZZLGOPX-SWLSCSKDSA-N 1 3 329.404 0.430 20 0 ECADHO C[C@@H]1C[C@@H](NCC(=O)N2CCCC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989681484 754308908 /nfs/dbraw/zinc/30/89/08/754308908.db2.gz CIFBRQRPOUIYFQ-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC001168345264 754762881 /nfs/dbraw/zinc/76/28/81/754762881.db2.gz MKPVYOHZDWCEFI-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCC[C@H](N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028777976 755085905 /nfs/dbraw/zinc/08/59/05/755085905.db2.gz ABFMSTNTPFFRQJ-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO c1cc(-c2noc([C@@H]3CCN([C@H]4CC[NH2+]C4)C3)n2)nc2c1CNCC2 ZINC001212119271 755162990 /nfs/dbraw/zinc/16/29/90/755162990.db2.gz RXTYYCTZAQKGSR-KGLIPLIRSA-N 1 3 340.431 0.929 20 0 ECADHO Cn1nncc1CNC1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033479 755519041 /nfs/dbraw/zinc/51/90/41/755519041.db2.gz WSUOSNHNMJXKJO-UHFFFAOYSA-N 1 3 334.468 0.676 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3cncs3)C2)CC[N@@H+]1C ZINC001051624267 762501094 /nfs/dbraw/zinc/50/10/94/762501094.db2.gz ORNCXUQEJNXNTJ-UMVBOHGHSA-N 1 3 338.477 0.800 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3cncs3)C2)CC[N@H+]1C ZINC001051624267 762501097 /nfs/dbraw/zinc/50/10/97/762501097.db2.gz ORNCXUQEJNXNTJ-UMVBOHGHSA-N 1 3 338.477 0.800 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001051624416 762501223 /nfs/dbraw/zinc/50/12/23/762501223.db2.gz PKSKJRCLBOAAPH-VNQPRFMTSA-N 1 3 335.452 0.077 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001051624416 762501227 /nfs/dbraw/zinc/50/12/27/762501227.db2.gz PKSKJRCLBOAAPH-VNQPRFMTSA-N 1 3 335.452 0.077 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)CC[N@@H+]1C ZINC001048829059 757128004 /nfs/dbraw/zinc/12/80/04/757128004.db2.gz GKFFAKNYGIIBCX-WCXIOVBPSA-N 1 3 348.491 0.339 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)CC[N@H+]1C ZINC001048829059 757128007 /nfs/dbraw/zinc/12/80/07/757128007.db2.gz GKFFAKNYGIIBCX-WCXIOVBPSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)[C@H](C(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C1CC1 ZINC001011263936 757330275 /nfs/dbraw/zinc/33/02/75/757330275.db2.gz STWIKPDUBDRKMT-INIZCTEOSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C)C(N)=O ZINC000996310800 757337815 /nfs/dbraw/zinc/33/78/15/757337815.db2.gz PTMFLXUWTGTREF-UONOGXRCSA-N 1 3 338.496 0.809 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001011281962 757398891 /nfs/dbraw/zinc/39/88/91/757398891.db2.gz FQULXLGLSOYNDG-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001011281962 757398904 /nfs/dbraw/zinc/39/89/04/757398904.db2.gz FQULXLGLSOYNDG-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001076950990 757712691 /nfs/dbraw/zinc/71/26/91/757712691.db2.gz PRHNXICLIRLMSA-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H](C1CC1)[NH+](C)C)NC(=O)CN(C)C1CCC1 ZINC001076957553 757748414 /nfs/dbraw/zinc/74/84/14/757748414.db2.gz DGUNJEJZJZUVTO-SUMWQHHRSA-N 1 3 338.496 0.822 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCc2cncn2C)C1 ZINC001051647188 762574325 /nfs/dbraw/zinc/57/43/25/762574325.db2.gz LPHOSPZRWZHKLP-IAGOWNOFSA-N 1 3 349.479 0.612 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCc2cncn2C)C1 ZINC001051647188 762574328 /nfs/dbraw/zinc/57/43/28/762574328.db2.gz LPHOSPZRWZHKLP-IAGOWNOFSA-N 1 3 349.479 0.612 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)CN1CC[C@H](C)C1)[NH+](C)C ZINC001076973946 757814959 /nfs/dbraw/zinc/81/49/59/757814959.db2.gz FTJXQWLPHHDLBQ-ZOBUZTSGSA-N 1 3 340.512 0.925 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1)C1CC1 ZINC001021710104 757839608 /nfs/dbraw/zinc/83/96/08/757839608.db2.gz ZQJRMYJLUCXLPP-JZXOWHBKSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2)C1CCC1 ZINC000996548307 757987898 /nfs/dbraw/zinc/98/78/98/757987898.db2.gz LQTMKJSKAYDZCO-ORQFMDKSSA-N 1 3 348.491 0.671 20 0 ECADHO CN(CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2)C1CCC1 ZINC000996548307 757987906 /nfs/dbraw/zinc/98/79/06/757987906.db2.gz LQTMKJSKAYDZCO-ORQFMDKSSA-N 1 3 348.491 0.671 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001022070586 758234730 /nfs/dbraw/zinc/23/47/30/758234730.db2.gz XCNIXQIZLCIPNJ-QXSJWSMHSA-N 1 3 346.479 0.875 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001022070585 758235055 /nfs/dbraw/zinc/23/50/55/758235055.db2.gz XCNIXQIZLCIPNJ-QKPAOTATSA-N 1 3 346.479 0.875 20 0 ECADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128706 758267438 /nfs/dbraw/zinc/26/74/38/758267438.db2.gz BFCPCNMJHOEMMN-BRWVUGGUSA-N 1 3 339.480 0.591 20 0 ECADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128706 758267441 /nfs/dbraw/zinc/26/74/41/758267441.db2.gz BFCPCNMJHOEMMN-BRWVUGGUSA-N 1 3 339.480 0.591 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)o1 ZINC001022119433 758300867 /nfs/dbraw/zinc/30/08/67/758300867.db2.gz GBAWLDGVIRMZMO-JYYAWHABSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)o1 ZINC001022119433 758300871 /nfs/dbraw/zinc/30/08/71/758300871.db2.gz GBAWLDGVIRMZMO-JYYAWHABSA-N 1 3 348.447 0.891 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001077150317 758349536 /nfs/dbraw/zinc/34/95/36/758349536.db2.gz SXZGYGSOZTUXOX-SOUVJXGZSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001077150317 758349543 /nfs/dbraw/zinc/34/95/43/758349543.db2.gz SXZGYGSOZTUXOX-SOUVJXGZSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N(C)C ZINC001022217106 758436031 /nfs/dbraw/zinc/43/60/31/758436031.db2.gz FHOWNGKJTJPYKB-ARFHVFGLSA-N 1 3 348.491 0.482 20 0 ECADHO CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1N[C@@H]1CCNC1=O ZINC000996675534 758443228 /nfs/dbraw/zinc/44/32/28/758443228.db2.gz ZOEZKJKTOAKQKU-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO O=C(N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219046 758543035 /nfs/dbraw/zinc/54/30/35/758543035.db2.gz HLCRQJOKWZXIQD-ARFHVFGLSA-N 1 3 337.464 0.060 20 0 ECADHO CCn1ncc(CN[C@H]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC001022370830 758636495 /nfs/dbraw/zinc/63/64/95/758636495.db2.gz YBFFRFUGNWPTCL-OKILXGFUSA-N 1 3 339.403 0.996 20 0 ECADHO Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022370825 758636961 /nfs/dbraw/zinc/63/69/61/758636961.db2.gz XVHFEBJREQIAAT-BETUJISGSA-N 1 3 325.376 0.513 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022454932 758746505 /nfs/dbraw/zinc/74/65/05/758746505.db2.gz COFKZOYDYGGTMI-ZMTXJHKBSA-N 1 3 349.475 0.656 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1=O ZINC001022647010 758981558 /nfs/dbraw/zinc/98/15/58/758981558.db2.gz CNGHNOGKXYAODM-OKILXGFUSA-N 1 3 349.431 0.727 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001022710238 759022430 /nfs/dbraw/zinc/02/24/30/759022430.db2.gz ABRDNUYHHIFKSJ-CWRNSKLLSA-N 1 3 332.448 0.606 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)C1 ZINC001022716738 759031651 /nfs/dbraw/zinc/03/16/51/759031651.db2.gz GYOYZPUXCXEZLE-YHUYYLMFSA-N 1 3 336.480 0.481 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022807795 759130150 /nfs/dbraw/zinc/13/01/50/759130150.db2.gz NKVUIEWRBSELEM-FZKCQIBNSA-N 1 3 336.480 0.765 20 0 ECADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001107037234 759491343 /nfs/dbraw/zinc/49/13/43/759491343.db2.gz XXVWGAMMJIJZPN-OAGGEKHMSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001050124441 759756311 /nfs/dbraw/zinc/75/63/11/759756311.db2.gz GCILZJZGEGFXGI-QUSNUVHPSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC001050124441 759756313 /nfs/dbraw/zinc/75/63/13/759756313.db2.gz GCILZJZGEGFXGI-QUSNUVHPSA-N 1 3 348.491 0.528 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001054298449 767907527 /nfs/dbraw/zinc/90/75/27/767907527.db2.gz XZINKSLOXLHUEY-KFWWJZLASA-N 1 3 334.468 0.686 20 0 ECADHO CN1CCC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050238644 760028618 /nfs/dbraw/zinc/02/86/18/760028618.db2.gz ZJMSHBOSCGTDTN-DZGCQCFKSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2cnn(C)n2)CC1 ZINC001050366155 760186944 /nfs/dbraw/zinc/18/69/44/760186944.db2.gz PJTZYRKXAIGWCY-QBYUYEEZSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2cnn(C)n2)CC1 ZINC001050366155 760186950 /nfs/dbraw/zinc/18/69/50/760186950.db2.gz PJTZYRKXAIGWCY-QBYUYEEZSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cn(C)nn3)CC2)C1 ZINC001050368640 760192785 /nfs/dbraw/zinc/19/27/85/760192785.db2.gz ZOXNMICNWRPQAO-JYJNAYRXSA-N 1 3 348.495 0.922 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001050462525 760305567 /nfs/dbraw/zinc/30/55/67/760305567.db2.gz UOVYQTPZBZUTTH-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050546902 760469491 /nfs/dbraw/zinc/46/94/91/760469491.db2.gz SYNVTUOTKFDFQL-OAHLLOKOSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001048416454 760481528 /nfs/dbraw/zinc/48/15/28/760481528.db2.gz FIQMMYWCCHCEFU-CVEARBPZSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@H]([NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C)C(N)=O ZINC000995819409 760686582 /nfs/dbraw/zinc/68/65/82/760686582.db2.gz DBPZMBQNLJXYBM-KBPBESRZSA-N 1 3 338.496 0.951 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001127067493 760709146 /nfs/dbraw/zinc/70/91/46/760709146.db2.gz YEQSIRZZKSLXBS-OAHLLOKOSA-N 1 3 345.509 0.390 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1)C1CC1 ZINC000995892727 760735233 /nfs/dbraw/zinc/73/52/33/760735233.db2.gz GDRMGGZTFUKCMN-GOEBONIOSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050773913 760825762 /nfs/dbraw/zinc/82/57/62/760825762.db2.gz WNWKHFAURPGQRO-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050801278 760878717 /nfs/dbraw/zinc/87/87/17/760878717.db2.gz ZIVWYZQTOQKENE-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127081885 761014487 /nfs/dbraw/zinc/01/44/87/761014487.db2.gz FITUKTLPSJNWOS-CABCVRRESA-N 1 3 326.485 0.870 20 0 ECADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127081885 761014499 /nfs/dbraw/zinc/01/44/99/761014499.db2.gz FITUKTLPSJNWOS-CABCVRRESA-N 1 3 326.485 0.870 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000991477650 761126128 /nfs/dbraw/zinc/12/61/28/761126128.db2.gz HIRKOVJXMMXTFR-ZBFHGGJFSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000991477650 761126133 /nfs/dbraw/zinc/12/61/33/761126133.db2.gz HIRKOVJXMMXTFR-ZBFHGGJFSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991478293 761132588 /nfs/dbraw/zinc/13/25/88/761132588.db2.gz KINQFWXKSRMRMO-JKSUJKDBSA-N 1 3 338.496 0.772 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000991478293 761132592 /nfs/dbraw/zinc/13/25/92/761132592.db2.gz KINQFWXKSRMRMO-JKSUJKDBSA-N 1 3 338.496 0.772 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCc1ccnn1C ZINC001106249684 768016108 /nfs/dbraw/zinc/01/61/08/768016108.db2.gz NIMUFPUOOYSJSI-KYJSFNMBSA-N 1 3 347.507 0.987 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106255479 768023276 /nfs/dbraw/zinc/02/32/76/768023276.db2.gz URJWKLBMDBVVOS-ZIAGYGMSSA-N 1 3 336.480 0.433 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282207 768066588 /nfs/dbraw/zinc/06/65/88/768066588.db2.gz YKMBXECARGWRIL-INMHGKMJSA-N 1 3 340.512 0.783 20 0 ECADHO CC(C)[C@H](C(=O)N1CCO[C@@H](CNCc2ccnn2C)C1)[NH+](C)C ZINC001051806616 763010843 /nfs/dbraw/zinc/01/08/43/763010843.db2.gz IPJJWJNVPJGBTM-JKSUJKDBSA-N 1 3 337.468 0.323 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991731335 763017085 /nfs/dbraw/zinc/01/70/85/763017085.db2.gz SJGFMDRLCFQQCA-ZBFHGGJFSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991731335 763017088 /nfs/dbraw/zinc/01/70/88/763017088.db2.gz SJGFMDRLCFQQCA-ZBFHGGJFSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC001051830514 763068934 /nfs/dbraw/zinc/06/89/34/763068934.db2.gz NMEGMXGNNGCHSI-CVEARBPZSA-N 1 3 337.468 0.386 20 0 ECADHO C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(CCCN2CCCC2=O)C1 ZINC001046776631 763107408 /nfs/dbraw/zinc/10/74/08/763107408.db2.gz GQYPNVNGPZWUGN-SFHVURJKSA-N 1 3 348.491 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ZINC001051930200 763362108 /nfs/dbraw/zinc/36/21/08/763362108.db2.gz JUTIVOKCFYGDOX-SJORKVTESA-N 1 3 332.448 0.659 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001051943107 763407929 /nfs/dbraw/zinc/40/79/29/763407929.db2.gz IKBXNYRHTMUHEM-IRXDYDNUSA-N 1 3 349.479 0.612 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCC(C)(C)C)CC[N@@H+]1C ZINC001127695487 763562302 /nfs/dbraw/zinc/56/23/02/763562302.db2.gz NYVJBZAFGZCFRF-LSDHHAIUSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCC(C)(C)C)CC[N@H+]1C ZINC001127695487 763562305 /nfs/dbraw/zinc/56/23/05/763562305.db2.gz NYVJBZAFGZCFRF-LSDHHAIUSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)CC[N@@H+]1C ZINC001127701727 763599767 /nfs/dbraw/zinc/59/97/67/763599767.db2.gz XJSJGJBANOJRGB-HRCADAONSA-N 1 3 336.480 0.576 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)CC[N@H+]1C ZINC001127701727 763599772 /nfs/dbraw/zinc/59/97/72/763599772.db2.gz 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CC[C@@H](CN1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)OC ZINC001047598392 764833447 /nfs/dbraw/zinc/83/34/47/764833447.db2.gz KGUPBFRNNBZSHG-KKUMJFAQSA-N 1 3 325.453 0.011 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001015612156 765061445 /nfs/dbraw/zinc/06/14/45/765061445.db2.gz STDBFZROPRFVIJ-HRCADAONSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001015612156 765061450 /nfs/dbraw/zinc/06/14/50/765061450.db2.gz STDBFZROPRFVIJ-HRCADAONSA-N 1 3 333.480 0.883 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001077496943 765673866 /nfs/dbraw/zinc/67/38/66/765673866.db2.gz MTLGRZJLVNKGDE-ZOBUZTSGSA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001077496943 765673872 /nfs/dbraw/zinc/67/38/72/765673872.db2.gz MTLGRZJLVNKGDE-ZOBUZTSGSA-N 1 3 340.512 0.925 20 0 ECADHO CCn1cc(CCN2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001015997870 765691664 /nfs/dbraw/zinc/69/16/64/765691664.db2.gz IKDHKMSHKBZUFE-DOTOQJQBSA-N 1 3 333.480 0.978 20 0 ECADHO CCn1cc(CCN2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001015997870 765691667 /nfs/dbraw/zinc/69/16/67/765691667.db2.gz IKDHKMSHKBZUFE-DOTOQJQBSA-N 1 3 333.480 0.978 20 0 ECADHO CN1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1=O ZINC001127344112 768335897 /nfs/dbraw/zinc/33/58/97/768335897.db2.gz GAJDRXMOISKOJF-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1=O ZINC001127344112 768335904 /nfs/dbraw/zinc/33/59/04/768335904.db2.gz GAJDRXMOISKOJF-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O)C1CCC1 ZINC001045795028 766380494 /nfs/dbraw/zinc/38/04/94/766380494.db2.gz LSRVEHTWDITTQB-OWCLPIDISA-N 1 3 334.464 0.425 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O)C1CCC1 ZINC001045795028 766380502 /nfs/dbraw/zinc/38/05/02/766380502.db2.gz LSRVEHTWDITTQB-OWCLPIDISA-N 1 3 334.464 0.425 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCCF)C2)CC1)C1CC1 ZINC001046035455 766720991 /nfs/dbraw/zinc/72/09/91/766720991.db2.gz MEOVOIIQPJMEJT-IAGOWNOFSA-N 1 3 340.487 0.905 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CCCF)C2)CC1)C1CC1 ZINC001046035455 766720998 /nfs/dbraw/zinc/72/09/98/766720998.db2.gz MEOVOIIQPJMEJT-IAGOWNOFSA-N 1 3 340.487 0.905 20 0 ECADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCOC)C2)CC1)N(C)C ZINC001046037892 766737018 /nfs/dbraw/zinc/73/70/18/766737018.db2.gz BHRNONWSCKWNFM-HZPDHXFCSA-N 1 3 326.485 0.192 20 0 ECADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CCOC)C2)CC1)N(C)C ZINC001046037892 766737025 /nfs/dbraw/zinc/73/70/25/766737025.db2.gz BHRNONWSCKWNFM-HZPDHXFCSA-N 1 3 326.485 0.192 20 0 ECADHO O=C(N[C@H]1CC12CC[NH+](CCCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC001016740776 766827106 /nfs/dbraw/zinc/82/71/06/766827106.db2.gz NTRWWMYSVLYVJP-BHEGOAEISA-N 1 3 349.475 0.203 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CCN([C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001046077734 766909356 /nfs/dbraw/zinc/90/93/56/766909356.db2.gz YGMUPEPLMJPVMN-OAHLLOKOSA-N 1 3 349.454 0.949 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CCN([C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001046077734 766909360 /nfs/dbraw/zinc/90/93/60/766909360.db2.gz YGMUPEPLMJPVMN-OAHLLOKOSA-N 1 3 349.454 0.949 20 0 ECADHO COC[C@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081699 766920277 /nfs/dbraw/zinc/92/02/77/766920277.db2.gz JGMVWQDIZPNFGV-DLBZAZTESA-N 1 3 338.496 0.336 20 0 ECADHO COC[C@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081699 766920279 /nfs/dbraw/zinc/92/02/79/766920279.db2.gz JGMVWQDIZPNFGV-DLBZAZTESA-N 1 3 338.496 0.336 20 0 ECADHO CO[C@@H](C)C[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082899 766922205 /nfs/dbraw/zinc/92/22/05/766922205.db2.gz XVVBSHXKSSXGBL-IRXDYDNUSA-N 1 3 338.496 0.336 20 0 ECADHO CO[C@@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082899 766922207 /nfs/dbraw/zinc/92/22/07/766922207.db2.gz XVVBSHXKSSXGBL-IRXDYDNUSA-N 1 3 338.496 0.336 20 0 ECADHO Cn1cc(CNCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)cn1 ZINC001127570742 766977380 /nfs/dbraw/zinc/97/73/80/766977380.db2.gz DVZRXUAXPDJAGK-SJORKVTESA-N 1 3 349.479 0.373 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1 ZINC001106909393 767117454 /nfs/dbraw/zinc/11/74/54/767117454.db2.gz HZBMRKFFOPWXAQ-HUUCEWRRSA-N 1 3 336.484 0.824 20 0 ECADHO CO[C@H](C)CN1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326863 767149914 /nfs/dbraw/zinc/14/99/14/767149914.db2.gz XFTBODQLJYRHPR-PBHICJAKSA-N 1 3 337.468 0.674 20 0 ECADHO COC[C@H](C)N1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326504 767149952 /nfs/dbraw/zinc/14/99/52/767149952.db2.gz OOFMXAFDLBTMIZ-WMLDXEAASA-N 1 3 337.468 0.674 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820765 767318715 /nfs/dbraw/zinc/31/87/15/767318715.db2.gz OPVXQSGCQXGDKL-SVGFKBNWSA-N 1 3 348.491 0.386 20 0 ECADHO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820765 767318717 /nfs/dbraw/zinc/31/87/17/767318717.db2.gz OPVXQSGCQXGDKL-SVGFKBNWSA-N 1 3 348.491 0.386 20 0 ECADHO Cn1ccc(CN2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)cc1=O ZINC001046599396 767352850 /nfs/dbraw/zinc/35/28/50/767352850.db2.gz WIOCRXYISPMQPL-IBGZPJMESA-N 1 3 346.475 0.808 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2ccccc2)CC[N@@H+]1C ZINC001127637924 767360954 /nfs/dbraw/zinc/36/09/54/767360954.db2.gz CJYXAIIXMNOBES-NVXWUHKLSA-N 1 3 346.475 0.691 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2ccccc2)CC[N@H+]1C ZINC001127637924 767360956 /nfs/dbraw/zinc/36/09/56/767360956.db2.gz CJYXAIIXMNOBES-NVXWUHKLSA-N 1 3 346.475 0.691 20 0 ECADHO O=C(NCC1CN(C[C@@H]2CCCCO2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856572 767444733 /nfs/dbraw/zinc/44/47/33/767444733.db2.gz CHVMHPAHIURWPV-OGFXQLCQSA-N 1 3 349.475 0.467 20 0 ECADHO O=C(NCC1CN(C[C@@H]2CCCCO2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031856572 767444738 /nfs/dbraw/zinc/44/47/38/767444738.db2.gz CHVMHPAHIURWPV-OGFXQLCQSA-N 1 3 349.475 0.467 20 0 ECADHO O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356414 768457829 /nfs/dbraw/zinc/45/78/29/768457829.db2.gz BIRHTBOQQQQRQY-HOCLYGCPSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356414 768457833 /nfs/dbraw/zinc/45/78/33/768457833.db2.gz BIRHTBOQQQQRQY-HOCLYGCPSA-N 1 3 336.480 0.625 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666519 768579687 /nfs/dbraw/zinc/57/96/87/768579687.db2.gz NAIPAGDKTMEQGH-BZUAXINKSA-N 1 3 338.496 0.539 20 0 ECADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672141 768586304 /nfs/dbraw/zinc/58/63/04/768586304.db2.gz GLLDDXLAMYBMBF-ZIAGYGMSSA-N 1 3 326.485 0.394 20 0 ECADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672523 768587969 /nfs/dbraw/zinc/58/79/69/768587969.db2.gz AVERXPQOIFKKGJ-HUUCEWRRSA-N 1 3 340.512 0.785 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106704998 768692993 /nfs/dbraw/zinc/69/29/93/768692993.db2.gz MNSRYFQKEFABPG-ZIAGYGMSSA-N 1 3 333.436 0.259 20 0 ECADHO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704742 768693188 /nfs/dbraw/zinc/69/31/88/768693188.db2.gz AZKKORIKTLTMIQ-RBSFLKMASA-N 1 3 349.479 0.797 20 0 ECADHO CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705177 768694564 /nfs/dbraw/zinc/69/45/64/768694564.db2.gz VDQVSZBWDSWJSS-QLFBSQMISA-N 1 3 349.479 0.892 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001055372977 768825168 /nfs/dbraw/zinc/82/51/68/768825168.db2.gz VTEVBFLHKYEDSM-IYBDPMFKSA-N 1 3 348.491 0.339 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106797840 769013688 /nfs/dbraw/zinc/01/36/88/769013688.db2.gz YQCDGSKIVWNREQ-HZPDHXFCSA-N 1 3 338.496 0.491 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)Cc1c[nH]cn1 ZINC001018274956 769015507 /nfs/dbraw/zinc/01/55/07/769015507.db2.gz BDHKBIHEKFFXDQ-KGLIPLIRSA-N 1 3 345.447 0.544 20 0 ECADHO CC(C)(C(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1)[NH+]1CCCCC1 ZINC001018848653 770087144 /nfs/dbraw/zinc/08/71/44/770087144.db2.gz HHQIOADONUHPCU-GJZGRUSLSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001018880521 770181282 /nfs/dbraw/zinc/18/12/82/770181282.db2.gz SUSJIJOJYPZNGN-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001018880521 770181286 /nfs/dbraw/zinc/18/12/86/770181286.db2.gz SUSJIJOJYPZNGN-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)N1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001018962888 770410847 /nfs/dbraw/zinc/41/08/47/770410847.db2.gz PABHTAKTXWWVIE-GJZGRUSLSA-N 1 3 336.480 0.671 20 0 ECADHO CCn1cc(CC[NH2+][C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cn1 ZINC001018966095 770421608 /nfs/dbraw/zinc/42/16/08/770421608.db2.gz CAEPOVXMBRGYRX-IRXDYDNUSA-N 1 3 333.480 0.976 20 0 ECADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001018989980 770498278 /nfs/dbraw/zinc/49/82/78/770498278.db2.gz BCEAFWNJTVQNGN-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001018989980 770498285 /nfs/dbraw/zinc/49/82/85/770498285.db2.gz BCEAFWNJTVQNGN-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001078397424 782865859 /nfs/dbraw/zinc/86/58/59/782865859.db2.gz UDTDWNZPPOGBFR-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001078397424 782865866 /nfs/dbraw/zinc/86/58/66/782865866.db2.gz UDTDWNZPPOGBFR-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)C2)N(C)C ZINC001019151761 770937963 /nfs/dbraw/zinc/93/79/63/770937963.db2.gz JPGGQOXNTWVDRK-OAHLLOKOSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C3)C1 ZINC001019443532 771294628 /nfs/dbraw/zinc/29/46/28/771294628.db2.gz RLMIGJBCPKOSLF-JKSUJKDBSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C3)C1 ZINC001019443532 771294630 /nfs/dbraw/zinc/29/46/30/771294630.db2.gz RLMIGJBCPKOSLF-JKSUJKDBSA-N 1 3 348.491 0.341 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH]cn1 ZINC001056572613 771393418 /nfs/dbraw/zinc/39/34/18/771393418.db2.gz LWAADJIWUQZTFQ-HOTGVXAUSA-N 1 3 347.463 0.886 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH]cn1 ZINC001056572613 771393423 /nfs/dbraw/zinc/39/34/23/771393423.db2.gz LWAADJIWUQZTFQ-HOTGVXAUSA-N 1 3 347.463 0.886 20 0 ECADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC001019632621 771634456 /nfs/dbraw/zinc/63/44/56/771634456.db2.gz SQEOUCJTECVBEV-DLBZAZTESA-N 1 3 348.491 0.530 20 0 ECADHO Cn1cc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C(F)F)n1 ZINC001019772931 771781293 /nfs/dbraw/zinc/78/12/93/771781293.db2.gz XDMJWQJXQSVBQT-AAEUAGOBSA-N 1 3 341.406 1.000 20 0 ECADHO Cn1cc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C(F)F)n1 ZINC001019772931 771781295 /nfs/dbraw/zinc/78/12/95/771781295.db2.gz XDMJWQJXQSVBQT-AAEUAGOBSA-N 1 3 341.406 1.000 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)c1 ZINC001019810843 771825953 /nfs/dbraw/zinc/82/59/53/771825953.db2.gz MWDPTTPEIFQFBE-KRWDZBQOSA-N 1 3 342.447 0.844 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001019820197 771837838 /nfs/dbraw/zinc/83/78/38/771837838.db2.gz AKVCSFBTCCMVEY-IRXDYDNUSA-N 1 3 346.475 0.950 20 0 ECADHO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019820505 771837912 /nfs/dbraw/zinc/83/79/12/771837912.db2.gz MZNFFSKHFYCHME-GOEBONIOSA-N 1 3 330.432 0.441 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019820505 771837918 /nfs/dbraw/zinc/83/79/18/771837918.db2.gz MZNFFSKHFYCHME-GOEBONIOSA-N 1 3 330.432 0.441 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001020161745 772230930 /nfs/dbraw/zinc/23/09/30/772230930.db2.gz NJIUMFDPTUPQFD-JYJNAYRXSA-N 1 3 345.447 0.564 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccc(F)cn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020178996 772249517 /nfs/dbraw/zinc/24/95/17/772249517.db2.gz KUXNZISANBZCLJ-VQHPVUNQSA-N 1 3 348.422 0.821 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccc(F)cn2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001020178996 772249521 /nfs/dbraw/zinc/24/95/21/772249521.db2.gz KUXNZISANBZCLJ-VQHPVUNQSA-N 1 3 348.422 0.821 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC[C@H]1C)NC(=O)C1CC[NH+](C)CC1 ZINC001078467733 783004037 /nfs/dbraw/zinc/00/40/37/783004037.db2.gz MHXZBAPGBFLTDS-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)C[N@@H+]1CCC[C@@H]1C)NC(=O)CN(C)C1CCC1 ZINC001078467370 783004490 /nfs/dbraw/zinc/00/44/90/783004490.db2.gz AKSWPCSAISNYSZ-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@@H]1C)NC(=O)CN(C)C1CCC1 ZINC001078467370 783004496 /nfs/dbraw/zinc/00/44/96/783004496.db2.gz AKSWPCSAISNYSZ-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO Cn1cnc2cc(C(=O)N[C@H]3C[C@H]([NH2+]CCn4cncn4)C3)ccc21 ZINC001020316790 772437902 /nfs/dbraw/zinc/43/79/02/772437902.db2.gz SFRLDRGVMFNXLX-HDJSIYSDSA-N 1 3 339.403 0.715 20 0 ECADHO Cn1ncnc1CN[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001020355315 772487452 /nfs/dbraw/zinc/48/74/52/772487452.db2.gz XVHFEBJREQIAAT-JOCQHMNTSA-N 1 3 325.376 0.513 20 0 ECADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001045257622 775247427 /nfs/dbraw/zinc/24/74/27/775247427.db2.gz UUKJNVRZMRADRB-HNNXBMFYSA-N 1 3 349.479 0.612 20 0 ECADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001045269277 775280377 /nfs/dbraw/zinc/28/03/77/775280377.db2.gz BDXPANJLYCELRK-DLBZAZTESA-N 1 3 348.491 0.578 20 0 ECADHO CC(C)c1nc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001045309046 775375137 /nfs/dbraw/zinc/37/51/37/775375137.db2.gz NCYUHNQZESKPRT-KGLIPLIRSA-N 1 3 334.468 0.960 20 0 ECADHO CC(C)c1nc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001045309046 775375150 /nfs/dbraw/zinc/37/51/50/775375150.db2.gz NCYUHNQZESKPRT-KGLIPLIRSA-N 1 3 334.468 0.960 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045321251 775408705 /nfs/dbraw/zinc/40/87/05/775408705.db2.gz IUYUVGBTEDOSCW-GOEBONIOSA-N 1 3 334.468 0.770 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045321251 775408708 /nfs/dbraw/zinc/40/87/08/775408708.db2.gz IUYUVGBTEDOSCW-GOEBONIOSA-N 1 3 334.468 0.770 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(CCn3cncn3)CC2)CC[N@@H+]1C ZINC001045444050 775617292 /nfs/dbraw/zinc/61/72/92/775617292.db2.gz CMBBHWCSLJWYIM-JKSUJKDBSA-N 1 3 348.495 0.979 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(CCn3cncn3)CC2)CC[N@H+]1C ZINC001045444050 775617302 /nfs/dbraw/zinc/61/73/02/775617302.db2.gz CMBBHWCSLJWYIM-JKSUJKDBSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079707905 776736618 /nfs/dbraw/zinc/73/66/18/776736618.db2.gz YKQFDBJBIGXPHJ-ZTFGCOKTSA-N 1 3 345.491 0.741 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001079808087 776913412 /nfs/dbraw/zinc/91/34/12/776913412.db2.gz FICMDEUFLACPJL-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079808087 776913415 /nfs/dbraw/zinc/91/34/15/776913415.db2.gz FICMDEUFLACPJL-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001079816323 776928749 /nfs/dbraw/zinc/92/87/49/776928749.db2.gz AEMMIXRGQKXLJJ-QGZVFWFLSA-N 1 3 340.512 0.974 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001079931165 777106314 /nfs/dbraw/zinc/10/63/14/777106314.db2.gz LRNFCJCVTFAPDS-GDBMZVCRSA-N 1 3 338.496 0.584 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001079931165 777106317 /nfs/dbraw/zinc/10/63/17/777106317.db2.gz LRNFCJCVTFAPDS-GDBMZVCRSA-N 1 3 338.496 0.584 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N(C)C2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001043629937 778626755 /nfs/dbraw/zinc/62/67/55/778626755.db2.gz WBBIFCSEVYEOBN-NVXWUHKLSA-N 1 3 339.480 0.665 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001077678838 781491733 /nfs/dbraw/zinc/49/17/33/781491733.db2.gz YFSPCWJXYWOULM-LBPRGKRZSA-N 1 3 335.452 0.613 20 0 ECADHO CN(CC(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070209007 783661342 /nfs/dbraw/zinc/66/13/42/783661342.db2.gz IMSLASWQPUFDTD-SJORKVTESA-N 1 3 346.479 0.904 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCN2C[C@H]2CCCOC2)n1 ZINC001038259358 784074496 /nfs/dbraw/zinc/07/44/96/784074496.db2.gz GBKQGAPFHMPEDI-CVEARBPZSA-N 1 3 349.479 0.675 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001071051833 784483320 /nfs/dbraw/zinc/48/33/20/784483320.db2.gz RHRPFDKCQGLKNY-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)C1(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001070754423 784653776 /nfs/dbraw/zinc/65/37/76/784653776.db2.gz IOEVVYQEHMLPJR-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001070754423 784653783 /nfs/dbraw/zinc/65/37/83/784653783.db2.gz IOEVVYQEHMLPJR-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001071204371 784729075 /nfs/dbraw/zinc/72/90/75/784729075.db2.gz OLWFCSNPKGFTHR-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001071204092 784729783 /nfs/dbraw/zinc/72/97/83/784729783.db2.gz BWKBQIXAEMSNBY-NVXWUHKLSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001070862962 784763417 /nfs/dbraw/zinc/76/34/17/784763417.db2.gz KOPXKVCTXVQSRH-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001071343999 784984720 /nfs/dbraw/zinc/98/47/20/784984720.db2.gz ORDYWGJHQLKPHS-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001071343999 784984725 /nfs/dbraw/zinc/98/47/25/784984725.db2.gz ORDYWGJHQLKPHS-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072287087 785982586 /nfs/dbraw/zinc/98/25/86/785982586.db2.gz RPQQDTQGSQJBND-HUUCEWRRSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNCc1nncn1C ZINC001072356768 786073621 /nfs/dbraw/zinc/07/36/21/786073621.db2.gz PATZSWASFKYAGM-ZBFHGGJFSA-N 1 3 348.495 0.731 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001072469934 786228643 /nfs/dbraw/zinc/22/86/43/786228643.db2.gz GPUFHHWAEIBIHQ-CJNGLKHVSA-N 1 3 349.479 0.956 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(CCOC)CCCO2)CC[N@@H+]1C ZINC001073605961 786761759 /nfs/dbraw/zinc/76/17/59/786761759.db2.gz 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CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001075090690 788892377 /nfs/dbraw/zinc/89/23/77/788892377.db2.gz JULVEZVIWCADQG-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001075170515 789019979 /nfs/dbraw/zinc/01/99/79/789019979.db2.gz WQERLTUKMOYSKU-SUYBPPKGSA-N 1 3 333.436 0.257 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001072983038 789215643 /nfs/dbraw/zinc/21/56/43/789215643.db2.gz JOVPCTWZYROHSG-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001072983038 789215650 /nfs/dbraw/zinc/21/56/50/789215650.db2.gz JOVPCTWZYROHSG-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCc2cnn(C)c2)C3)C1 ZINC001072983089 789215842 /nfs/dbraw/zinc/21/58/42/789215842.db2.gz KUTAJQKKOCSPGZ-MRXNPFEDSA-N 1 3 345.491 0.839 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCc2cnn(C)c2)C3)C1 ZINC001072983089 789215848 /nfs/dbraw/zinc/21/58/48/789215848.db2.gz KUTAJQKKOCSPGZ-MRXNPFEDSA-N 1 3 345.491 0.839 20 0 ECADHO CC[C@H](C(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001073039283 789323252 /nfs/dbraw/zinc/32/32/52/789323252.db2.gz ZOGCELSYWKAPHM-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001073039283 789323261 /nfs/dbraw/zinc/32/32/61/789323261.db2.gz ZOGCELSYWKAPHM-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)NC1(C)CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001073239178 789645804 /nfs/dbraw/zinc/64/58/04/789645804.db2.gz DZLICGUCXCWODC-AWEZNQCLSA-N 1 3 326.485 0.776 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001073277295 789692297 /nfs/dbraw/zinc/69/22/97/789692297.db2.gz REVUFHZLDYOAAL-AWEZNQCLSA-N 1 3 347.463 0.791 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)NC2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001073277295 789692304 /nfs/dbraw/zinc/69/23/04/789692304.db2.gz REVUFHZLDYOAAL-AWEZNQCLSA-N 1 3 347.463 0.791 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930520 790203493 /nfs/dbraw/zinc/20/34/93/790203493.db2.gz OLUWBUCKHCIUHB-MIGQKNRLSA-N 1 3 332.452 0.370 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930520 790203497 /nfs/dbraw/zinc/20/34/97/790203497.db2.gz OLUWBUCKHCIUHB-MIGQKNRLSA-N 1 3 332.452 0.370 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001067009350 792565539 /nfs/dbraw/zinc/56/55/39/792565539.db2.gz QVTITYUPSLLYLA-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001067009350 792565543 /nfs/dbraw/zinc/56/55/43/792565543.db2.gz QVTITYUPSLLYLA-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001266807193 836329153 /nfs/dbraw/zinc/32/91/53/836329153.db2.gz FUONVROEXUZMHO-JKSUJKDBSA-N 1 3 327.469 0.165 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001267045777 836672536 /nfs/dbraw/zinc/67/25/36/836672536.db2.gz SRUGUACFGLTYFE-RDJZCZTQSA-N 1 3 335.496 0.987 20 0 ECADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CCCCN1C)[NH+](C)C ZINC001408597565 837246097 /nfs/dbraw/zinc/24/60/97/837246097.db2.gz XOHRTFBELHKCAQ-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO CN(CCNCc1cccc(C(N)=O)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001267418752 837384497 /nfs/dbraw/zinc/38/44/97/837384497.db2.gz CWCBEZYOWKNHRY-UHFFFAOYSA-N 1 3 332.448 0.675 20 0 ECADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC001267933102 838816532 /nfs/dbraw/zinc/81/65/32/838816532.db2.gz CLZLSXSZAMUWAR-AAVRWANBSA-N 1 3 338.452 0.149 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000419844245 290648698 /nfs/dbraw/zinc/64/86/98/290648698.db2.gz LFTZKCOZDZJOIV-UHFFFAOYSA-N 1 3 346.475 0.835 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)N1CCC[C@H](C)C1 ZINC000354652666 299087000 /nfs/dbraw/zinc/08/70/00/299087000.db2.gz DRNFVZSWZQOLBP-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC000354655049 299087510 /nfs/dbraw/zinc/08/75/10/299087510.db2.gz GJOFRQROIHULCM-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCC1 ZINC000354655049 299087514 /nfs/dbraw/zinc/08/75/14/299087514.db2.gz GJOFRQROIHULCM-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCC1 ZINC000354655053 299087567 /nfs/dbraw/zinc/08/75/67/299087567.db2.gz GJOFRQROIHULCM-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCC1 ZINC000354655053 299087571 /nfs/dbraw/zinc/08/75/71/299087571.db2.gz GJOFRQROIHULCM-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000418850758 282236398 /nfs/dbraw/zinc/23/63/98/282236398.db2.gz OJQOIOBPSOECCE-KRWDZBQOSA-N 1 3 346.475 0.473 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423148951 290718702 /nfs/dbraw/zinc/71/87/02/290718702.db2.gz GXOCRYMIQRZYDM-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCOCC[NH+](C)C ZINC000426212712 210137772 /nfs/dbraw/zinc/13/77/72/210137772.db2.gz JEPSQGIKMHTSIV-HNNXBMFYSA-N 1 3 342.484 0.459 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354798922 299130885 /nfs/dbraw/zinc/13/08/85/299130885.db2.gz VGQPVCMCZMLYFU-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000104414999 219384379 /nfs/dbraw/zinc/38/43/79/219384379.db2.gz MVLUSPGMVWNTFD-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000104414999 219384382 /nfs/dbraw/zinc/38/43/82/219384382.db2.gz MVLUSPGMVWNTFD-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418841183 282901797 /nfs/dbraw/zinc/90/17/97/282901797.db2.gz GMDGNHLIYBYRSY-AWEZNQCLSA-N 1 3 326.485 0.999 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000419161225 291196193 /nfs/dbraw/zinc/19/61/93/291196193.db2.gz RIAFCTSHUSNZTC-TZMCWYRMSA-N 1 3 340.468 0.064 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000420420817 209363310 /nfs/dbraw/zinc/36/33/10/209363310.db2.gz KDVUMNSKOJNJPY-UHFFFAOYSA-N 1 3 345.513 0.857 20 0 ECADHO Cc1nc2c(cnn2C)c(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000420308646 209351457 /nfs/dbraw/zinc/35/14/57/209351457.db2.gz DGTVKYDEZYMHPT-CQSZACIVSA-N 1 3 329.452 0.793 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000420100063 209306234 /nfs/dbraw/zinc/30/62/34/209306234.db2.gz MYEZFBGRQFIZMN-ZIAGYGMSSA-N 1 3 326.485 0.857 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000420094352 209303281 /nfs/dbraw/zinc/30/32/81/209303281.db2.gz DQUXZQAZXXJLNI-UHFFFAOYSA-N 1 3 332.448 0.754 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000420081573 209300533 /nfs/dbraw/zinc/30/05/33/209300533.db2.gz NKUIKRAXOAKBKI-KBPBESRZSA-N 1 3 326.485 0.999 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C(C)C ZINC000420027083 209281971 /nfs/dbraw/zinc/28/19/71/209281971.db2.gz CCKRDAAZOJUMIU-CHWSQXEVSA-N 1 3 328.457 0.062 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C(C)C ZINC000420027083 209281972 /nfs/dbraw/zinc/28/19/72/209281972.db2.gz CCKRDAAZOJUMIU-CHWSQXEVSA-N 1 3 328.457 0.062 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C(C)C ZINC000420027088 209281661 /nfs/dbraw/zinc/28/16/61/209281661.db2.gz CCKRDAAZOJUMIU-STQMWFEESA-N 1 3 328.457 0.062 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C(C)C ZINC000420027088 209281665 /nfs/dbraw/zinc/28/16/65/209281665.db2.gz CCKRDAAZOJUMIU-STQMWFEESA-N 1 3 328.457 0.062 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000419988072 209269776 /nfs/dbraw/zinc/26/97/76/209269776.db2.gz XQIOMLZQQTVCJX-QGZVFWFLSA-N 1 3 348.491 0.985 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419944046 209255681 /nfs/dbraw/zinc/25/56/81/209255681.db2.gz AEXDFLAPXMKMHU-AWEZNQCLSA-N 1 3 334.464 0.808 20 0 ECADHO CCOC[C@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000356044379 299340558 /nfs/dbraw/zinc/34/05/58/299340558.db2.gz YPOCHUOMGYMGRO-MRXNPFEDSA-N 1 3 342.484 0.242 20 0 ECADHO N[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000419903339 209244809 /nfs/dbraw/zinc/24/48/09/209244809.db2.gz AMFPJGCLUGXJGQ-KRWDZBQOSA-N 1 3 344.459 0.889 20 0 ECADHO OCCN1CCN(CCCC[NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000356184431 299360843 /nfs/dbraw/zinc/36/08/43/299360843.db2.gz VKNAWKJAFDYVKH-UHFFFAOYSA-N 1 3 332.452 0.389 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419769226 209201825 /nfs/dbraw/zinc/20/18/25/209201825.db2.gz DLFPAWPQZOBREK-KBPBESRZSA-N 1 3 326.485 0.857 20 0 ECADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C1CC1 ZINC000419761796 209199893 /nfs/dbraw/zinc/19/98/93/209199893.db2.gz KWRIVBXMCHVABJ-DLBZAZTESA-N 1 3 344.459 0.573 20 0 ECADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000236839910 242378724 /nfs/dbraw/zinc/37/87/24/242378724.db2.gz KLGJBJZIGPCERT-KRWDZBQOSA-N 1 3 346.475 0.569 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419726633 209189186 /nfs/dbraw/zinc/18/91/86/209189186.db2.gz VEXGXDLYUWIJRP-UHFFFAOYSA-N 1 3 332.448 0.493 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000419724549 209189232 /nfs/dbraw/zinc/18/92/32/209189232.db2.gz QDRVTVDGPAOLJY-QGZVFWFLSA-N 1 3 344.459 0.588 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CCN1CCCC1)[NH+]1CCC(C)CC1 ZINC000356443078 299389337 /nfs/dbraw/zinc/38/93/37/299389337.db2.gz CUEXODFCDPKLKE-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000419701327 209177496 /nfs/dbraw/zinc/17/74/96/209177496.db2.gz TXEKMADMUHLSGJ-OAGGEKHMSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCC[NH2+]C1 ZINC000419694270 209173753 /nfs/dbraw/zinc/17/37/53/209173753.db2.gz KDYOBGXDMOQCPI-KDOFPFPSSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CCC[NH2+]C1 ZINC000419694269 209173690 /nfs/dbraw/zinc/17/36/90/209173690.db2.gz KDYOBGXDMOQCPI-KBXCAEBGSA-N 1 3 336.480 0.625 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419692528 209173340 /nfs/dbraw/zinc/17/33/40/209173340.db2.gz HAFRPZREDRKETG-BZUAXINKSA-N 1 3 338.496 0.870 20 0 ECADHO CC1(CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC[NH2+]CC1 ZINC000419690176 209172185 /nfs/dbraw/zinc/17/21/85/209172185.db2.gz BPZJODXCCYHOGL-AWEZNQCLSA-N 1 3 336.480 0.625 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419667072 209164673 /nfs/dbraw/zinc/16/46/73/209164673.db2.gz RRJRCSNBCIQXBB-CQSZACIVSA-N 1 3 326.485 0.714 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000419652649 209158581 /nfs/dbraw/zinc/15/85/81/209158581.db2.gz XPUADEDGFJIEOF-KRWDZBQOSA-N 1 3 346.475 0.822 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)[C@H]1C[NH3+] ZINC000419646280 209156576 /nfs/dbraw/zinc/15/65/76/209156576.db2.gz QADDTPXIVXBIEN-PBHICJAKSA-N 1 3 346.475 0.950 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C[C@@H]1C[NH3+] ZINC000419645563 209155915 /nfs/dbraw/zinc/15/59/15/209155915.db2.gz PGABQBSOXNSQDN-PBHICJAKSA-N 1 3 346.475 0.808 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000419576585 209130865 /nfs/dbraw/zinc/13/08/65/209130865.db2.gz CHYITYOGMLOUJI-XEZPLFJOSA-N 1 3 342.509 0.126 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000419977718 209267180 /nfs/dbraw/zinc/26/71/80/209267180.db2.gz MZQGFAYCOXDENW-AWEZNQCLSA-N 1 3 326.485 0.809 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000420100062 209305629 /nfs/dbraw/zinc/30/56/29/209305629.db2.gz MYEZFBGRQFIZMN-UONOGXRCSA-N 1 3 326.485 0.857 20 0 ECADHO O=C(C[C@H]1CSCCN1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000434870937 210602239 /nfs/dbraw/zinc/60/22/39/210602239.db2.gz UPRBZBADIMZUEX-AWEZNQCLSA-N 1 3 327.494 0.843 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000411550901 208114174 /nfs/dbraw/zinc/11/41/74/208114174.db2.gz LOSLGUZQOKTAQR-UONOGXRCSA-N 1 3 328.457 0.559 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000411550901 208114179 /nfs/dbraw/zinc/11/41/79/208114179.db2.gz LOSLGUZQOKTAQR-UONOGXRCSA-N 1 3 328.457 0.559 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N(C)CC[NH2+]C ZINC000423235605 285099112 /nfs/dbraw/zinc/09/91/12/285099112.db2.gz GROFEWOIODGYPV-UHFFFAOYSA-N 1 3 334.464 0.775 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000414916933 208442038 /nfs/dbraw/zinc/44/20/38/208442038.db2.gz UOHKYEQSAWUISU-AWEZNQCLSA-N 1 3 334.420 0.515 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000430644884 210395399 /nfs/dbraw/zinc/39/53/99/210395399.db2.gz ANUUHJPJKJSCSY-DOTOQJQBSA-N 1 3 344.459 0.969 20 0 ECADHO CCC[NH+]1CCC(N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)CC1 ZINC000112324816 220303055 /nfs/dbraw/zinc/30/30/55/220303055.db2.gz ZHCXCWWRLQFCPJ-AWEZNQCLSA-N 1 3 345.509 0.438 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)CC1 ZINC000419097654 208974366 /nfs/dbraw/zinc/97/43/66/208974366.db2.gz FLYBCRXPRYFRTD-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000357586250 299595338 /nfs/dbraw/zinc/59/53/38/299595338.db2.gz XMJOOACHAOKWNP-CYBMUJFWSA-N 1 3 336.436 0.632 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419166959 209009677 /nfs/dbraw/zinc/00/96/77/209009677.db2.gz OTTUKGFXLNPQMT-HOCLYGCPSA-N 1 3 334.464 0.723 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419172177 209011823 /nfs/dbraw/zinc/01/18/23/209011823.db2.gz QQNCKAFSGJCNPT-HRCADAONSA-N 1 3 338.496 0.953 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419175911 209013052 /nfs/dbraw/zinc/01/30/52/209013052.db2.gz YGAGOGCTSOSYIX-XHSDSOJGSA-N 1 3 338.496 0.871 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000419185963 209016821 /nfs/dbraw/zinc/01/68/21/209016821.db2.gz HTNYDZBEOALMCL-UHFFFAOYSA-N 1 3 346.475 0.929 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419189028 209017784 /nfs/dbraw/zinc/01/77/84/209017784.db2.gz KUJLLMCINHERPS-AWEZNQCLSA-N 1 3 346.475 0.787 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000419203074 209021900 /nfs/dbraw/zinc/02/19/00/209021900.db2.gz HKKAWRGONTVWNZ-LSDHHAIUSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000419203074 209021903 /nfs/dbraw/zinc/02/19/03/209021903.db2.gz HKKAWRGONTVWNZ-LSDHHAIUSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000419203070 209022527 /nfs/dbraw/zinc/02/25/27/209022527.db2.gz HKKAWRGONTVWNZ-GJZGRUSLSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000419203070 209022531 /nfs/dbraw/zinc/02/25/31/209022531.db2.gz HKKAWRGONTVWNZ-GJZGRUSLSA-N 1 3 346.475 0.998 20 0 ECADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419224151 209032321 /nfs/dbraw/zinc/03/23/21/209032321.db2.gz FHSDIPDQHBGNEJ-HOTGVXAUSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419228059 209033473 /nfs/dbraw/zinc/03/34/73/209033473.db2.gz LWDYCQMCLJTSMV-GVDBMIGSSA-N 1 3 348.491 0.435 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419228058 209033988 /nfs/dbraw/zinc/03/39/88/209033988.db2.gz LWDYCQMCLJTSMV-BRWVUGGUSA-N 1 3 348.491 0.435 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CCC1 ZINC000419249089 209041379 /nfs/dbraw/zinc/04/13/79/209041379.db2.gz YXBBISKTPQVGDH-UHFFFAOYSA-N 1 3 347.463 0.278 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)CC(C)C)[C@H](C)C1 ZINC000419965661 285382813 /nfs/dbraw/zinc/38/28/13/285382813.db2.gz XGQNJEPGOKEMTJ-KFWWJZLASA-N 1 3 326.485 0.665 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)CC(C)C)[C@H](C)C1 ZINC000419965661 285382814 /nfs/dbraw/zinc/38/28/14/285382814.db2.gz XGQNJEPGOKEMTJ-KFWWJZLASA-N 1 3 326.485 0.665 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419372710 209071789 /nfs/dbraw/zinc/07/17/89/209071789.db2.gz LGMOJRFZMUCFTK-UHFFFAOYSA-N 1 3 346.475 0.270 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC2CCC(C[NH+](C)C)CC2)CC1=O ZINC000119782344 296644019 /nfs/dbraw/zinc/64/40/19/296644019.db2.gz MYZQNVSJHHMEKB-PCKAHOCUSA-N 1 3 338.496 0.633 20 0 ECADHO COCCNCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188985703 165003939 /nfs/dbraw/zinc/00/39/39/165003939.db2.gz GQYHGLYNNHSEDI-WFASDCNBSA-N 1 3 327.375 0.763 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000192141512 165040818 /nfs/dbraw/zinc/04/08/18/165040818.db2.gz UXOSECKYVVUNEG-UHFFFAOYSA-N 1 3 339.528 0.997 20 0 ECADHO CSCC[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000237305595 165096244 /nfs/dbraw/zinc/09/62/44/165096244.db2.gz LGMKDXZTIQZZEM-CABCVRRESA-N 1 3 328.526 0.695 20 0 ECADHO CSCC[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000237305595 165096247 /nfs/dbraw/zinc/09/62/47/165096247.db2.gz LGMKDXZTIQZZEM-CABCVRRESA-N 1 3 328.526 0.695 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000246434362 165134932 /nfs/dbraw/zinc/13/49/32/165134932.db2.gz BNRKLXNKOANTAF-BFYDXBDKSA-N 1 3 328.501 0.966 20 0 ECADHO CCN(CC)C(=O)[C@H](C)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261777745 165242547 /nfs/dbraw/zinc/24/25/47/165242547.db2.gz XPFJFSQENXXXNI-JYJNAYRXSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)CN1CCN(C)CC1 ZINC000262763124 165383012 /nfs/dbraw/zinc/38/30/12/165383012.db2.gz LOHBTKILSFKNPO-JKSUJKDBSA-N 1 3 348.495 0.421 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCCCC[NH3+])Cc2ccccc2C1 ZINC000419378798 209073584 /nfs/dbraw/zinc/07/35/84/209073584.db2.gz VSTOYFZUVSUMNP-UHFFFAOYSA-N 1 3 332.448 0.057 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])Cc1ccccc1 ZINC000419382995 209075288 /nfs/dbraw/zinc/07/52/88/209075288.db2.gz ZQKHOCXPBBBZPA-GDBMZVCRSA-N 1 3 334.464 0.519 20 0 ECADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419411255 209085818 /nfs/dbraw/zinc/08/58/18/209085818.db2.gz BJRBVNMAFHVJSV-QGZVFWFLSA-N 1 3 344.459 0.419 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419413193 209086980 /nfs/dbraw/zinc/08/69/80/209086980.db2.gz DDDUCTVDXGQIOF-HNNXBMFYSA-N 1 3 346.475 0.523 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCC[NH2+]C1 ZINC000331628599 296949388 /nfs/dbraw/zinc/94/93/88/296949388.db2.gz LOUCAQOIXGPUPH-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H]1N(C)C ZINC000331689572 296957644 /nfs/dbraw/zinc/95/76/44/296957644.db2.gz WJVYVXCYWWDHBN-FVQBIDKESA-N 1 3 336.480 0.386 20 0 ECADHO Cn1nccc1CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712258 782033440 /nfs/dbraw/zinc/03/34/40/782033440.db2.gz LWZRNFLXDMEMDS-GOSISDBHSA-N 1 3 342.447 0.853 20 0 ECADHO Cn1nccc1CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712258 782033449 /nfs/dbraw/zinc/03/34/49/782033449.db2.gz LWZRNFLXDMEMDS-GOSISDBHSA-N 1 3 342.447 0.853 20 0 ECADHO CCN(CCO)CCNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187123718 263159707 /nfs/dbraw/zinc/15/97/07/263159707.db2.gz LINIICASMPRNBX-IYBDPMFKSA-N 1 3 328.501 0.968 20 0 ECADHO CCN(CCO)CCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187123718 263159709 /nfs/dbraw/zinc/15/97/09/263159709.db2.gz LINIICASMPRNBX-IYBDPMFKSA-N 1 3 328.501 0.968 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCNC2=O)[C@H](C)C1 ZINC000190006322 263163810 /nfs/dbraw/zinc/16/38/10/263163810.db2.gz LDUDYSNSIAFWAY-ZIAGYGMSSA-N 1 3 326.441 0.265 20 0 ECADHO CN(C)C/C=C/C(=O)N[C@H]1CC[C@H](NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000270027933 263219686 /nfs/dbraw/zinc/21/96/86/263219686.db2.gz XLUGQURAADLYNO-GYDTYHLPSA-N 1 3 336.480 0.766 20 0 ECADHO C[C@H](Cn1cccn1)NCC1(C[NH2+][C@H](C)Cn2cccn2)COC1 ZINC000270808570 263274002 /nfs/dbraw/zinc/27/40/02/263274002.db2.gz OZSYQPHVAXZYPQ-HZPDHXFCSA-N 1 3 332.452 0.753 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419147656 274208726 /nfs/dbraw/zinc/20/87/26/274208726.db2.gz JDRPOLLPPPFCCA-CWRNSKLLSA-N 1 3 332.448 0.396 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)C[NH+]1CCN(C)CC1 ZINC000237581100 274223765 /nfs/dbraw/zinc/22/37/65/274223765.db2.gz HRAAVXHUJOLYMQ-YJBOKZPZSA-N 1 3 330.476 0.701 20 0 ECADHO CCN(C(=O)C(=O)NCC[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000419823931 276060008 /nfs/dbraw/zinc/06/00/08/276060008.db2.gz YXKHPZPNUQWICP-GDBMZVCRSA-N 1 3 332.448 0.745 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CCC1 ZINC000415084579 276766012 /nfs/dbraw/zinc/76/60/12/276766012.db2.gz OVSITVCMLBYMJH-UHFFFAOYSA-N 1 3 346.431 0.708 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC000262468704 277104855 /nfs/dbraw/zinc/10/48/55/277104855.db2.gz WORQEJVTVAHQLD-SQNIBIBYSA-N 1 3 346.475 0.204 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000419116280 277383562 /nfs/dbraw/zinc/38/35/62/277383562.db2.gz LHSJSRCREAILMJ-MRXNPFEDSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419119899 277573667 /nfs/dbraw/zinc/57/36/67/277573667.db2.gz KBLMVKNBMCOSIJ-AWEZNQCLSA-N 1 3 326.485 0.810 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423061210 278856414 /nfs/dbraw/zinc/85/64/14/278856414.db2.gz KEWLEVSSBKGSHN-UHFFFAOYSA-N 1 3 338.496 0.635 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422188974 279125747 /nfs/dbraw/zinc/12/57/47/279125747.db2.gz MNYIULFNWFSKPO-LSDHHAIUSA-N 1 3 326.485 0.774 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000360432660 437602264 /nfs/dbraw/zinc/60/22/64/437602264.db2.gz ZFAIINMDOYGTJO-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])N1CCC(C)CC1 ZINC000419373678 279838715 /nfs/dbraw/zinc/83/87/15/279838715.db2.gz OQQCKPLLLCEUEK-LSDHHAIUSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000340215264 437604652 /nfs/dbraw/zinc/60/46/52/437604652.db2.gz SBSGBQIYNRUVSD-HNNXBMFYSA-N 1 3 338.496 0.635 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCC1 ZINC000354687248 282027534 /nfs/dbraw/zinc/02/75/34/282027534.db2.gz QIZLHXVQDLAZGE-CQSZACIVSA-N 1 3 336.480 0.720 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343641787 437610361 /nfs/dbraw/zinc/61/03/61/437610361.db2.gz OLWWVAVPQAZVGN-CQSZACIVSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000343641787 437610367 /nfs/dbraw/zinc/61/03/67/437610367.db2.gz OLWWVAVPQAZVGN-CQSZACIVSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417434287 289019338 /nfs/dbraw/zinc/01/93/38/289019338.db2.gz XBKVLKZDAQQLGH-NWDGAFQWSA-N 1 3 349.426 0.211 20 0 ECADHO CN(C)C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000354686024 289207487 /nfs/dbraw/zinc/20/74/87/289207487.db2.gz ZFVPSGDFHARMCP-HOTGVXAUSA-N 1 3 332.448 0.664 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000410471469 289290201 /nfs/dbraw/zinc/29/02/01/289290201.db2.gz QHMUSMONQWVNFY-XHSDSOJGSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000410471469 289290202 /nfs/dbraw/zinc/29/02/02/289290202.db2.gz QHMUSMONQWVNFY-XHSDSOJGSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000418173118 290043777 /nfs/dbraw/zinc/04/37/77/290043777.db2.gz PYZYKIUMORBNPP-HUUCEWRRSA-N 1 3 325.501 0.829 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1 ZINC000332667551 297064004 /nfs/dbraw/zinc/06/40/04/297064004.db2.gz YPEVPLZEMAZILQ-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)[C@H](CN)c3ccc(F)cc3)C[C@H]2[NH3+])cn1 ZINC000424228744 294281326 /nfs/dbraw/zinc/28/13/26/294281326.db2.gz UOMBEYBIKLVBLL-OWCLPIDISA-N 1 3 331.395 0.555 20 0 ECADHO [NH3+]CC1CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CC1 ZINC000423223134 295224158 /nfs/dbraw/zinc/22/41/58/295224158.db2.gz DYSMKDANUXDNKO-INIZCTEOSA-N 1 3 336.480 0.661 20 0 ECADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419984110 295652960 /nfs/dbraw/zinc/65/29/60/295652960.db2.gz VNVTYBQDEJMYBX-HOTGVXAUSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333557632 297141272 /nfs/dbraw/zinc/14/12/72/297141272.db2.gz KLEVTNYHOQCPIZ-DANNLKNASA-N 1 3 332.452 0.339 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCCCN3C3CC3)C[C@H]2[NH3+])cn1 ZINC000333561421 297141618 /nfs/dbraw/zinc/14/16/18/297141618.db2.gz KZVFXLGSTUXEQB-YESZJQIVSA-N 1 3 346.479 0.873 20 0 ECADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333828436 297151278 /nfs/dbraw/zinc/15/12/78/297151278.db2.gz SJFJOTYJOBTVMN-SJORKVTESA-N 1 3 335.496 0.692 20 0 ECADHO C[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@@H](C)C1 ZINC000333932307 297156257 /nfs/dbraw/zinc/15/62/57/297156257.db2.gz GRLVMIPGXILVHJ-BRWVUGGUSA-N 1 3 337.512 0.796 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](CO)[C@H](c3cnn(C)c3)C2)CC1 ZINC000337446214 297188881 /nfs/dbraw/zinc/18/88/81/297188881.db2.gz CIOZLGHXWAAMTM-MOPGFXCFSA-N 1 3 349.523 0.844 20 0 ECADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](CO)[C@H](c3cnn(C)c3)C2)CC1 ZINC000337446214 297188882 /nfs/dbraw/zinc/18/88/82/297188882.db2.gz CIOZLGHXWAAMTM-MOPGFXCFSA-N 1 3 349.523 0.844 20 0 ECADHO CC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(=O)OC ZINC000338729199 297292213 /nfs/dbraw/zinc/29/22/13/297292213.db2.gz UJYMZCCEMBYDSH-HNNXBMFYSA-N 1 3 325.453 0.860 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339579233 297361582 /nfs/dbraw/zinc/36/15/82/297361582.db2.gz NIBAFGGFXYIVAT-XHSDSOJGSA-N 1 3 340.512 0.927 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339579233 297361584 /nfs/dbraw/zinc/36/15/84/297361584.db2.gz NIBAFGGFXYIVAT-XHSDSOJGSA-N 1 3 340.512 0.927 20 0 ECADHO CN1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)[C@H]1c1ccccc1 ZINC000345062251 298112450 /nfs/dbraw/zinc/11/24/50/298112450.db2.gz IWWNZFLYALWKPP-RCCFBDPRSA-N 1 3 328.460 0.938 20 0 ECADHO CN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)[C@H]1c1ccccc1 ZINC000345062251 298112452 /nfs/dbraw/zinc/11/24/52/298112452.db2.gz IWWNZFLYALWKPP-RCCFBDPRSA-N 1 3 328.460 0.938 20 0 ECADHO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC2CC[NH2+]CC2)C1 ZINC000346830126 298351117 /nfs/dbraw/zinc/35/11/17/298351117.db2.gz JTJNVZOKHLZJQO-OAHLLOKOSA-N 1 3 325.453 0.720 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000347048474 298393754 /nfs/dbraw/zinc/39/37/54/298393754.db2.gz LXLZXCVVSUHOBO-HUUCEWRRSA-N 1 3 328.457 0.117 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000347048474 298393758 /nfs/dbraw/zinc/39/37/58/298393758.db2.gz LXLZXCVVSUHOBO-HUUCEWRRSA-N 1 3 328.457 0.117 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000347048473 298394061 /nfs/dbraw/zinc/39/40/61/298394061.db2.gz LXLZXCVVSUHOBO-GJZGRUSLSA-N 1 3 328.457 0.117 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000347048473 298394064 /nfs/dbraw/zinc/39/40/64/298394064.db2.gz LXLZXCVVSUHOBO-GJZGRUSLSA-N 1 3 328.457 0.117 20 0 ECADHO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000361484177 300100756 /nfs/dbraw/zinc/10/07/56/300100756.db2.gz IAWYONBXAZTFTG-KRWDZBQOSA-N 1 3 335.496 0.777 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000364870599 300396025 /nfs/dbraw/zinc/39/60/25/300396025.db2.gz VASJPUIZNMEMIV-KRWDZBQOSA-N 1 3 336.411 0.296 20 0 ECADHO CC[N@H+](CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1)C(C)C ZINC000074055886 436104021 /nfs/dbraw/zinc/10/40/21/436104021.db2.gz KNXOMFHMQUORDW-MRXNPFEDSA-N 1 3 327.517 0.899 20 0 ECADHO CC[N@@H+](CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1)C(C)C ZINC000074055886 436104024 /nfs/dbraw/zinc/10/40/24/436104024.db2.gz KNXOMFHMQUORDW-MRXNPFEDSA-N 1 3 327.517 0.899 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000372896560 301035040 /nfs/dbraw/zinc/03/50/40/301035040.db2.gz FBMBUXMAYCWOLF-BASYENTBSA-N 1 3 341.496 0.992 20 0 ECADHO CN(CCCN(C)CC(=O)N1CCOC[C@H]1C1CC1)CC[NH+](C)C ZINC000377608925 301365243 /nfs/dbraw/zinc/36/52/43/301365243.db2.gz UYBUMDPHOMRXIW-KRWDZBQOSA-N 1 3 340.512 0.439 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377879632 301386531 /nfs/dbraw/zinc/38/65/31/301386531.db2.gz MWPADYBNQFNVBY-CABCVRRESA-N 1 3 328.457 0.117 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377879632 301386533 /nfs/dbraw/zinc/38/65/33/301386533.db2.gz MWPADYBNQFNVBY-CABCVRRESA-N 1 3 328.457 0.117 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)NCC2(O)CCN(C)CC2)CC1 ZINC000077803617 436252056 /nfs/dbraw/zinc/25/20/56/436252056.db2.gz WQJPGDFFXMYIRR-UHFFFAOYSA-N 1 3 326.485 0.864 20 0 ECADHO CC(=O)N1CCC(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000077822584 436255796 /nfs/dbraw/zinc/25/57/96/436255796.db2.gz BDGAILBSMZSEIO-UHFFFAOYSA-N 1 3 341.500 0.380 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000103212407 436553583 /nfs/dbraw/zinc/55/35/83/436553583.db2.gz USSCPFHFNQOZLC-UHFFFAOYSA-N 1 3 341.500 0.332 20 0 ECADHO C[C@H]1C(=O)NCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000106551027 436597746 /nfs/dbraw/zinc/59/77/46/436597746.db2.gz UEYBGUOBYAJZLS-ZDUSSCGKSA-N 1 3 337.468 0.075 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000114170494 436639836 /nfs/dbraw/zinc/63/98/36/436639836.db2.gz XQWRWBGGXJXUMO-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000114170494 436639837 /nfs/dbraw/zinc/63/98/37/436639837.db2.gz XQWRWBGGXJXUMO-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000542813619 302206467 /nfs/dbraw/zinc/20/64/67/302206467.db2.gz DFBFHANOHYJYJH-INIZCTEOSA-N 1 3 339.528 0.901 20 0 ECADHO Cc1ccc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000550760822 302349361 /nfs/dbraw/zinc/34/93/61/302349361.db2.gz BPKGTYHLQYKCKL-UHFFFAOYSA-N 1 3 338.452 0.199 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000237173427 436725382 /nfs/dbraw/zinc/72/53/82/436725382.db2.gz JIFAZXLAXCFYSX-IBGZPJMESA-N 1 3 346.475 0.984 20 0 ECADHO C[NH2+]CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000237208937 436727825 /nfs/dbraw/zinc/72/78/25/436727825.db2.gz XLUNZEZDRMAVII-INIZCTEOSA-N 1 3 331.464 0.662 20 0 ECADHO Cc1c(C(=O)NCCN2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237669542 436740781 /nfs/dbraw/zinc/74/07/81/436740781.db2.gz GPDGNVDUYIPWAJ-ZDUSSCGKSA-N 1 3 334.468 0.973 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000125195414 436765213 /nfs/dbraw/zinc/76/52/13/436765213.db2.gz NDEJEPAKMDYJSS-QGZVFWFLSA-N 1 3 337.512 0.798 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000125195414 436765216 /nfs/dbraw/zinc/76/52/16/436765216.db2.gz NDEJEPAKMDYJSS-QGZVFWFLSA-N 1 3 337.512 0.798 20 0 ECADHO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CNCCO2)CC1 ZINC000236955194 436718746 /nfs/dbraw/zinc/71/87/46/436718746.db2.gz KYGKOAIVMMURGN-SFHVURJKSA-N 1 3 346.475 0.429 20 0 ECADHO COC(=O)C1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000154808776 436785183 /nfs/dbraw/zinc/78/51/83/436785183.db2.gz TVEWQHXTUQGGFX-UHFFFAOYSA-N 1 3 342.484 0.853 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1=O ZINC000248596119 436805174 /nfs/dbraw/zinc/80/51/74/436805174.db2.gz ICNRFUKCOFUFHK-MZBWOGCUSA-N 1 3 348.491 0.515 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCOCCO)CC1 ZINC000130689133 436840230 /nfs/dbraw/zinc/84/02/30/436840230.db2.gz UXSHSDAZHVKEEN-UHFFFAOYSA-N 1 3 329.485 0.411 20 0 ECADHO CN(C)C1(CNC(=O)C2(C[NH3+])CCOCC2)Cc2ccccc2C1 ZINC000262272093 436921105 /nfs/dbraw/zinc/92/11/05/436921105.db2.gz NCLILGFILSHLET-UHFFFAOYSA-N 1 3 331.460 0.957 20 0 ECADHO CNC(=O)[C@@]1(C)CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000281057103 436943707 /nfs/dbraw/zinc/94/37/07/436943707.db2.gz JPHQFZCAWZTEFI-LPHOPBHVSA-N 1 3 346.475 0.864 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000263278593 436960864 /nfs/dbraw/zinc/96/08/64/436960864.db2.gz ZHCHXQSUWDZQOR-DZKIICNBSA-N 1 3 340.512 0.959 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000263280310 436960910 /nfs/dbraw/zinc/96/09/10/436960910.db2.gz ZZAFBVWBHIAAES-NYTXWWLZSA-N 1 3 326.485 0.569 20 0 ECADHO CN(C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@H]1CCC[NH2+]CC1 ZINC000331437786 437096149 /nfs/dbraw/zinc/09/61/49/437096149.db2.gz BBBFKRUFTHVGJH-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCC3)CC[C@@H]21 ZINC000331688847 437144336 /nfs/dbraw/zinc/14/43/36/437144336.db2.gz UFHCNJRCKGVFBS-OAGGEKHMSA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCC3)CC[C@@H]21 ZINC000331688847 437144341 /nfs/dbraw/zinc/14/43/41/437144341.db2.gz UFHCNJRCKGVFBS-OAGGEKHMSA-N 1 3 336.480 0.563 20 0 ECADHO CN1CCC[C@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175748618 437116175 /nfs/dbraw/zinc/11/61/75/437116175.db2.gz KRHJOLKZUZQHJP-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000331596843 437128645 /nfs/dbraw/zinc/12/86/45/437128645.db2.gz YAAXHVNJLHLJBS-LVQVYYBASA-N 1 3 336.480 0.574 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000331596843 437128649 /nfs/dbraw/zinc/12/86/49/437128649.db2.gz YAAXHVNJLHLJBS-LVQVYYBASA-N 1 3 336.480 0.574 20 0 ECADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)NS(C)(=O)=O ZINC000316175350 437185404 /nfs/dbraw/zinc/18/54/04/437185404.db2.gz ZBHDLVLRGAZWAH-UHFFFAOYSA-N 1 3 326.466 0.968 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423147204 303532707 /nfs/dbraw/zinc/53/27/07/303532707.db2.gz CDQNGIZTMHHSAE-JYJNAYRXSA-N 1 3 334.464 0.141 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000332085592 437204878 /nfs/dbraw/zinc/20/48/78/437204878.db2.gz FSISODBLKXAXRQ-ZJIFWQFVSA-N 1 3 336.480 0.576 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331852912 437169249 /nfs/dbraw/zinc/16/92/49/437169249.db2.gz OTQKSVIBNLVZQB-RRFJBIMHSA-N 1 3 337.468 0.062 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000332553036 437230159 /nfs/dbraw/zinc/23/01/59/437230159.db2.gz KTHJUEKEVBWBGS-QKPAOTATSA-N 1 3 336.480 0.671 20 0 ECADHO CN(C)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1 ZINC000266842277 437252225 /nfs/dbraw/zinc/25/22/25/437252225.db2.gz NARSRTNMGIPMKV-INIZCTEOSA-N 1 3 346.475 0.991 20 0 ECADHO CO[C@H](CN)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000290186902 437469788 /nfs/dbraw/zinc/46/97/88/437469788.db2.gz PZGBBUOPHDNTTH-DZGCQCFKSA-N 1 3 334.420 0.296 20 0 ECADHO CO[C@H](CN)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000290186902 437469790 /nfs/dbraw/zinc/46/97/90/437469790.db2.gz PZGBBUOPHDNTTH-DZGCQCFKSA-N 1 3 334.420 0.296 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[NH+](CC)CC ZINC000339582586 437474764 /nfs/dbraw/zinc/47/47/64/437474764.db2.gz YUUUYVPGYDNRAV-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000185462632 437439068 /nfs/dbraw/zinc/43/90/68/437439068.db2.gz UDNBAOIDNXDDNM-HNNXBMFYSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000185462632 437439070 /nfs/dbraw/zinc/43/90/70/437439070.db2.gz UDNBAOIDNXDDNM-HNNXBMFYSA-N 1 3 325.501 0.606 20 0 ECADHO CNC(=O)C[C@H](C)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268968101 437443595 /nfs/dbraw/zinc/44/35/95/437443595.db2.gz YUHZNFRYPXLEGM-YOEHRIQHSA-N 1 3 346.475 0.998 20 0 ECADHO CNC(=O)C[C@H](C)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268968101 437443597 /nfs/dbraw/zinc/44/35/97/437443597.db2.gz YUHZNFRYPXLEGM-YOEHRIQHSA-N 1 3 346.475 0.998 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289992334 437455243 /nfs/dbraw/zinc/45/52/43/437455243.db2.gz RFUNMNZZFQCALD-IRXDYDNUSA-N 1 3 347.459 0.948 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289992334 437455245 /nfs/dbraw/zinc/45/52/45/437455245.db2.gz RFUNMNZZFQCALD-IRXDYDNUSA-N 1 3 347.459 0.948 20 0 ECADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000187010218 437492710 /nfs/dbraw/zinc/49/27/10/437492710.db2.gz CGPMREDIADDJJF-RRFJBIMHSA-N 1 3 342.484 0.947 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2)CC1 ZINC000187156173 437495423 /nfs/dbraw/zinc/49/54/23/437495423.db2.gz IJHMKZDCPIBLMX-UHFFFAOYSA-N 1 3 347.463 0.445 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000339666695 437488646 /nfs/dbraw/zinc/48/86/46/437488646.db2.gz JFBXFBQEPKTCPZ-OAHLLOKOSA-N 1 3 336.480 0.720 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000339667063 437488662 /nfs/dbraw/zinc/48/86/62/437488662.db2.gz FINWECOOPOOATC-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000339671870 437491905 /nfs/dbraw/zinc/49/19/05/437491905.db2.gz XCKOACPXEXVEIQ-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000339671870 437491912 /nfs/dbraw/zinc/49/19/12/437491912.db2.gz XCKOACPXEXVEIQ-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000343295626 437549230 /nfs/dbraw/zinc/54/92/30/437549230.db2.gz KNHDTPKKOCSQBW-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000343683843 437628463 /nfs/dbraw/zinc/62/84/63/437628463.db2.gz INIBCJNAGSPPFZ-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1=CCN(C)CC1 ZINC000340480188 437659633 /nfs/dbraw/zinc/65/96/33/437659633.db2.gz XTEQUHSHMGBDDY-CWRNSKLLSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1=CCN(C)CC1 ZINC000340480188 437659638 /nfs/dbraw/zinc/65/96/38/437659638.db2.gz XTEQUHSHMGBDDY-CWRNSKLLSA-N 1 3 334.464 0.496 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000340513272 437679498 /nfs/dbraw/zinc/67/94/98/437679498.db2.gz XQHHQAGHGCCMRG-NVXWUHKLSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000340513272 437679502 /nfs/dbraw/zinc/67/95/02/437679502.db2.gz XQHHQAGHGCCMRG-NVXWUHKLSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000344028309 437720321 /nfs/dbraw/zinc/72/03/21/437720321.db2.gz MXPKBUQJRTZAHL-CYBMUJFWSA-N 1 3 338.418 0.965 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000344028309 437720324 /nfs/dbraw/zinc/72/03/24/437720324.db2.gz MXPKBUQJRTZAHL-CYBMUJFWSA-N 1 3 338.418 0.965 20 0 ECADHO CN(CCCN(C)[C@@H]1CCN(CC(F)(F)F)C1=O)CC[NH+](C)C ZINC000344028309 437720327 /nfs/dbraw/zinc/72/03/27/437720327.db2.gz MXPKBUQJRTZAHL-CYBMUJFWSA-N 1 3 338.418 0.965 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CCN(C)CC1 ZINC000340952761 437762693 /nfs/dbraw/zinc/76/26/93/437762693.db2.gz BNMNADFQAZJSCD-ZWKOTPCHSA-N 1 3 349.523 0.914 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415238959 437768411 /nfs/dbraw/zinc/76/84/11/437768411.db2.gz NAIZKRHHJGXMEQ-CYBMUJFWSA-N 1 3 348.447 0.952 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415238959 437768413 /nfs/dbraw/zinc/76/84/13/437768413.db2.gz NAIZKRHHJGXMEQ-CYBMUJFWSA-N 1 3 348.447 0.952 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCCC2)CC1=O ZINC000356493549 437771732 /nfs/dbraw/zinc/77/17/32/437771732.db2.gz XZZDTCKWIQSOHC-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCCC2)CC1=O ZINC000356493549 437771738 /nfs/dbraw/zinc/77/17/38/437771738.db2.gz XZZDTCKWIQSOHC-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCCC2)CC1=O ZINC000356493546 437772090 /nfs/dbraw/zinc/77/20/90/437772090.db2.gz XZZDTCKWIQSOHC-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCCC2)CC1=O ZINC000356493546 437772094 /nfs/dbraw/zinc/77/20/94/437772094.db2.gz XZZDTCKWIQSOHC-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])ccc1OCCN(C)C ZINC000415554618 437820188 /nfs/dbraw/zinc/82/01/88/437820188.db2.gz PTWHFLMRXGNQGW-ZDUSSCGKSA-N 1 3 336.436 0.727 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000423755009 437825193 /nfs/dbraw/zinc/82/51/93/437825193.db2.gz GPHTWWSQQGXYOF-UHFFFAOYSA-N 1 3 325.453 0.897 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000415322012 437783146 /nfs/dbraw/zinc/78/31/46/437783146.db2.gz YUNWRIRRENJALG-AWEZNQCLSA-N 1 3 334.420 0.434 20 0 ECADHO Cc1cc(NC(=O)C(=O)NC(C)(C)C[NH3+])ccc1OCCN(C)C ZINC000415377729 437793969 /nfs/dbraw/zinc/79/39/69/437793969.db2.gz GESXPSORVGAVJP-UHFFFAOYSA-N 1 3 336.436 0.727 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423668499 437797095 /nfs/dbraw/zinc/79/70/95/437797095.db2.gz PRISHXSPFGQEIN-UHFFFAOYSA-N 1 3 332.448 0.527 20 0 ECADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000356624386 437802304 /nfs/dbraw/zinc/80/23/04/437802304.db2.gz DGTXCIPCAFZYOC-MRXNPFEDSA-N 1 3 328.501 0.221 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341175291 437808809 /nfs/dbraw/zinc/80/88/09/437808809.db2.gz XOSWVIAPNVCPSX-CABCVRRESA-N 1 3 339.484 0.357 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341175291 437808814 /nfs/dbraw/zinc/80/88/14/437808814.db2.gz XOSWVIAPNVCPSX-CABCVRRESA-N 1 3 339.484 0.357 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c(OCCN(C)C)c1 ZINC000415511385 437814826 /nfs/dbraw/zinc/81/48/26/437814826.db2.gz OQPFMXLXYHYRPD-ZDUSSCGKSA-N 1 3 336.436 0.585 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000423997240 437873578 /nfs/dbraw/zinc/87/35/78/437873578.db2.gz XYUCHJGMXUFAKV-KRWDZBQOSA-N 1 3 332.448 0.547 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415622320 437833171 /nfs/dbraw/zinc/83/31/71/437833171.db2.gz XQLDODWVJADBMM-BBRMVZONSA-N 1 3 332.448 0.843 20 0 ECADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423839594 437840811 /nfs/dbraw/zinc/84/08/11/437840811.db2.gz JEQOZZNYKFXGGP-GDBMZVCRSA-N 1 3 332.448 0.491 20 0 ECADHO [NH3+][C@@H]1CCc2ncc(NC(=O)NC[C@@H]3CCCCN3CCO)cc2C1 ZINC000415967502 437883653 /nfs/dbraw/zinc/88/36/53/437883653.db2.gz WTMJRPUWSGYEKC-ZBFHGGJFSA-N 1 3 347.463 0.866 20 0 ECADHO [NH3+][C@H]1CCc2ncc(NC(=O)N[C@@H]3CCCN(CCCO)C3)cc2C1 ZINC000415961304 437884079 /nfs/dbraw/zinc/88/40/79/437884079.db2.gz OKWYANAOOAAWSW-LSDHHAIUSA-N 1 3 347.463 0.866 20 0 ECADHO COCCN(C)CCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415968127 437884336 /nfs/dbraw/zinc/88/43/36/437884336.db2.gz XFWNDJDIZCWSPV-CQSZACIVSA-N 1 3 335.452 0.987 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)CC1=O ZINC000424081580 437884878 /nfs/dbraw/zinc/88/48/78/437884878.db2.gz VUMATVSMTHIVTA-CABCVRRESA-N 1 3 330.432 0.313 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(N(C)C)CC2)CC1=O ZINC000416299467 437910773 /nfs/dbraw/zinc/91/07/73/437910773.db2.gz GFMOJDONBUFWMS-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(N(C)C)CC2)CC1=O ZINC000416299467 437910774 /nfs/dbraw/zinc/91/07/74/437910774.db2.gz GFMOJDONBUFWMS-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000342039904 437949024 /nfs/dbraw/zinc/94/90/24/437949024.db2.gz OWQPLLFMYNGSCY-GDBMZVCRSA-N 1 3 336.480 0.744 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000342039904 437949030 /nfs/dbraw/zinc/94/90/30/437949030.db2.gz OWQPLLFMYNGSCY-GDBMZVCRSA-N 1 3 336.480 0.744 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000342059317 437954009 /nfs/dbraw/zinc/95/40/09/437954009.db2.gz IXSQTZKRRNGSKY-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCNC(C)(C)C2)CC1=O ZINC000357319391 437963660 /nfs/dbraw/zinc/96/36/60/437963660.db2.gz HXFYKYWGWMKTQD-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCNC(C)(C)C2)CC1=O ZINC000357319391 437963667 /nfs/dbraw/zinc/96/36/67/437963667.db2.gz HXFYKYWGWMKTQD-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000357354104 437969772 /nfs/dbraw/zinc/96/97/72/437969772.db2.gz FWFDRHKMVBNGDH-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000341999187 437936565 /nfs/dbraw/zinc/93/65/65/437936565.db2.gz AAZXNTSZSRFMMT-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000341999187 437936571 /nfs/dbraw/zinc/93/65/71/437936571.db2.gz AAZXNTSZSRFMMT-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[C@H]1C ZINC000347997711 437993637 /nfs/dbraw/zinc/99/36/37/437993637.db2.gz FNNIRQNMFWGHMZ-FPCVCCKLSA-N 1 3 338.496 0.917 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[C@H]1C ZINC000347997711 437993639 /nfs/dbraw/zinc/99/36/39/437993639.db2.gz FNNIRQNMFWGHMZ-FPCVCCKLSA-N 1 3 338.496 0.917 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)N(CC[NH3+])CCO)CC1 ZINC000416972539 438011191 /nfs/dbraw/zinc/01/11/91/438011191.db2.gz IQDRAXHESDUSSO-UHFFFAOYSA-N 1 3 334.464 0.922 20 0 ECADHO CC(C)[C@@H](C(=O)NCCCNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC000342951293 438091179 /nfs/dbraw/zinc/09/11/79/438091179.db2.gz LJYLZTNYHOQSEA-GJZGRUSLSA-N 1 3 328.501 0.781 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000348767296 438096552 /nfs/dbraw/zinc/09/65/52/438096552.db2.gz VZIACHFPENUEEY-HNNXBMFYSA-N 1 3 336.480 0.696 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000348767296 438096558 /nfs/dbraw/zinc/09/65/58/438096558.db2.gz VZIACHFPENUEEY-HNNXBMFYSA-N 1 3 336.480 0.696 20 0 ECADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417982193 438096925 /nfs/dbraw/zinc/09/69/25/438096925.db2.gz BGCSTMFQPWRIDO-XKQJLSEDSA-N 1 3 332.448 0.884 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CNCCO2)[C@@H](C)C1 ZINC000417671265 438066550 /nfs/dbraw/zinc/06/65/50/438066550.db2.gz PYOMPHJUOZYANT-XHSDSOJGSA-N 1 3 342.484 0.411 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CNCCO2)[C@@H](C)C1 ZINC000417671265 438066555 /nfs/dbraw/zinc/06/65/55/438066555.db2.gz PYOMPHJUOZYANT-XHSDSOJGSA-N 1 3 342.484 0.411 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000417752130 438072812 /nfs/dbraw/zinc/07/28/12/438072812.db2.gz MFJZGLUCVPTYIO-HZPDHXFCSA-N 1 3 327.517 0.885 20 0 ECADHO C[C@H]1NCCN(C(=O)NCc2ccncc2OCC[NH+](C)C)[C@H]1C ZINC000418201169 438119232 /nfs/dbraw/zinc/11/92/32/438119232.db2.gz ZQHJTKFDUINAOW-KGLIPLIRSA-N 1 3 335.452 0.914 20 0 ECADHO C[NH2+]CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418288251 438125060 /nfs/dbraw/zinc/12/50/60/438125060.db2.gz VZGFKDOBULWDJR-SJORKVTESA-N 1 3 334.464 0.778 20 0 ECADHO C[NH2+]CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418288245 438125770 /nfs/dbraw/zinc/12/57/70/438125770.db2.gz VZGFKDOBULWDJR-DLBZAZTESA-N 1 3 334.464 0.778 20 0 ECADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000430878085 438127661 /nfs/dbraw/zinc/12/76/61/438127661.db2.gz GZVVSACZYIITMF-HIFRSBDPSA-N 1 3 330.432 0.932 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000430893524 438129166 /nfs/dbraw/zinc/12/91/66/438129166.db2.gz JSBHKLFKSPKPQJ-JKSUJKDBSA-N 1 3 332.448 0.260 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000430893524 438129171 /nfs/dbraw/zinc/12/91/71/438129171.db2.gz JSBHKLFKSPKPQJ-JKSUJKDBSA-N 1 3 332.448 0.260 20 0 ECADHO C[N@@H+]1CC[C@](O)(CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000358059054 438136045 /nfs/dbraw/zinc/13/60/45/438136045.db2.gz CWTOUPXDSGCQGV-KRWDZBQOSA-N 1 3 325.453 0.204 20 0 ECADHO C[N@H+]1CC[C@](O)(CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000358059054 438136048 /nfs/dbraw/zinc/13/60/48/438136048.db2.gz CWTOUPXDSGCQGV-KRWDZBQOSA-N 1 3 325.453 0.204 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418381621 438139458 /nfs/dbraw/zinc/13/94/58/438139458.db2.gz MEUIITBNFDBOHP-GVDBMIGSSA-N 1 3 332.448 0.531 20 0 ECADHO [NH3+]C[C@H](NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000418413267 438143518 /nfs/dbraw/zinc/14/35/18/438143518.db2.gz YWDRONMEPXKFPZ-FUHWJXTLSA-N 1 3 332.448 0.660 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000431054795 438144980 /nfs/dbraw/zinc/14/49/80/438144980.db2.gz FHJWBSODHUIWHX-BBWFWOEESA-N 1 3 338.496 0.382 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000431054795 438144985 /nfs/dbraw/zinc/14/49/85/438144985.db2.gz FHJWBSODHUIWHX-BBWFWOEESA-N 1 3 338.496 0.382 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418756738 438182565 /nfs/dbraw/zinc/18/25/65/438182565.db2.gz ALHJFFQMVLRKQI-LSDHHAIUSA-N 1 3 339.484 0.309 20 0 ECADHO NC1(CNC(=O)C(=O)NCC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418766843 438184697 /nfs/dbraw/zinc/18/46/97/438184697.db2.gz RNLFYYILAGSVGY-UHFFFAOYSA-N 1 3 344.459 0.622 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)CN2CCCC2=O)[C@H](C)C1 ZINC000358239760 438188144 /nfs/dbraw/zinc/18/81/44/438188144.db2.gz YXZNZLJSLMNVSH-ZACQAIPSSA-N 1 3 341.496 0.696 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)CN2CCCC2=O)[C@H](C)C1 ZINC000358239760 438188149 /nfs/dbraw/zinc/18/81/49/438188149.db2.gz YXZNZLJSLMNVSH-ZACQAIPSSA-N 1 3 341.496 0.696 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000358118947 438157664 /nfs/dbraw/zinc/15/76/64/438157664.db2.gz YUIPMERAUQWQRG-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000358118947 438157668 /nfs/dbraw/zinc/15/76/68/438157668.db2.gz YUIPMERAUQWQRG-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418542117 438158944 /nfs/dbraw/zinc/15/89/44/438158944.db2.gz HIKVSJXPWKNXAI-DJIMGWMZSA-N 1 3 334.464 0.906 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418854733 438218211 /nfs/dbraw/zinc/21/82/11/438218211.db2.gz TYLIGAWBHILXFV-PVAVHDDUSA-N 1 3 346.475 0.390 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000418865090 438224046 /nfs/dbraw/zinc/22/40/46/438224046.db2.gz LOMVUFMLTHOZAQ-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000418863122 438224965 /nfs/dbraw/zinc/22/49/65/438224965.db2.gz IMSKIPUCPVILDC-RBSFLKMASA-N 1 3 338.496 0.809 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418865415 438225192 /nfs/dbraw/zinc/22/51/92/438225192.db2.gz RVGOPVWEMBTNQL-RDJZCZTQSA-N 1 3 346.475 0.993 20 0 ECADHO C[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)CN1CCN(C)CC1 ZINC000433162089 438228469 /nfs/dbraw/zinc/22/84/69/438228469.db2.gz LKTNOCLWSDHKRX-MRXNPFEDSA-N 1 3 339.528 0.189 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418875606 438230097 /nfs/dbraw/zinc/23/00/97/438230097.db2.gz KXJBEJWCEDUPAM-IKGGRYGDSA-N 1 3 346.475 0.662 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000418875917 438230676 /nfs/dbraw/zinc/23/06/76/438230676.db2.gz LJGVHLJXZOUJNK-CVEARBPZSA-N 1 3 332.448 0.083 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[NH2+]1 ZINC000418878335 438231559 /nfs/dbraw/zinc/23/15/59/438231559.db2.gz QXDIGOYCFGOKSU-HYVNUMGLSA-N 1 3 346.475 0.532 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418825539 438203214 /nfs/dbraw/zinc/20/32/14/438203214.db2.gz BVBZXHFIWUERQM-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO O=C1CC[C@H](NCCC[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)[C@@H](C2CC2)N1 ZINC000367458500 438210269 /nfs/dbraw/zinc/21/02/69/438210269.db2.gz LUQYGNVOLHIIQS-DJDHSFSDSA-N 1 3 348.491 0.670 20 0 ECADHO O=C1CC[C@H]([NH2+]CCCN[C@@H]2CCC(=O)N[C@H]2C2CC2)[C@@H](C2CC2)N1 ZINC000367458500 438210272 /nfs/dbraw/zinc/21/02/72/438210272.db2.gz LUQYGNVOLHIIQS-DJDHSFSDSA-N 1 3 348.491 0.670 20 0 ECADHO CN(CCC(=O)N1CCN(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC000433482937 438254663 /nfs/dbraw/zinc/25/46/63/438254663.db2.gz CGOAEEVWWZRDLP-UHFFFAOYSA-N 1 3 332.452 0.199 20 0 ECADHO C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1CCNCC1 ZINC000433482937 438254667 /nfs/dbraw/zinc/25/46/67/438254667.db2.gz CGOAEEVWWZRDLP-UHFFFAOYSA-N 1 3 332.452 0.199 20 0 ECADHO C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1CCNCC1 ZINC000433482937 438254671 /nfs/dbraw/zinc/25/46/71/438254671.db2.gz CGOAEEVWWZRDLP-UHFFFAOYSA-N 1 3 332.452 0.199 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418954455 438264042 /nfs/dbraw/zinc/26/40/42/438264042.db2.gz WLOCWEHEYNNWNU-ZBFHGGJFSA-N 1 3 334.464 0.723 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000418981729 438270908 /nfs/dbraw/zinc/27/09/08/438270908.db2.gz GYARXTOKDUOIAM-BBWFWOEESA-N 1 3 344.459 0.560 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000418988785 438274635 /nfs/dbraw/zinc/27/46/35/438274635.db2.gz SLSYNPYUWMBHGF-IHRRRGAJSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000418988785 438274642 /nfs/dbraw/zinc/27/46/42/438274642.db2.gz SLSYNPYUWMBHGF-IHRRRGAJSA-N 1 3 340.468 0.064 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000418999908 438278551 /nfs/dbraw/zinc/27/85/51/438278551.db2.gz NYKBHILWPWAILT-HNNXBMFYSA-N 1 3 326.485 0.714 20 0 ECADHO CN(CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000419008893 438283844 /nfs/dbraw/zinc/28/38/44/438283844.db2.gz WFVSFLPBRAJJDO-QGZVFWFLSA-N 1 3 346.475 0.741 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000358700823 438284613 /nfs/dbraw/zinc/28/46/13/438284613.db2.gz ZBKRIHIUXSQDCC-WBVHZDCISA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000358700823 438284616 /nfs/dbraw/zinc/28/46/16/438284616.db2.gz ZBKRIHIUXSQDCC-WBVHZDCISA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017157 438287956 /nfs/dbraw/zinc/28/79/56/438287956.db2.gz AOULGUMHJUPYMI-LSDHHAIUSA-N 1 3 336.480 0.649 20 0 ECADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@]2(O)CCN(C)C2)([NH+](C)C)C1 ZINC000358720919 438290485 /nfs/dbraw/zinc/29/04/85/438290485.db2.gz MSJRDYKRFPSYLB-OIISXLGYSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419024921 438294045 /nfs/dbraw/zinc/29/40/45/438294045.db2.gz LGXMPAUYIUFSAL-XUWVNRHRSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419024361 438294199 /nfs/dbraw/zinc/29/41/99/438294199.db2.gz KRFIWFDGKUHNRP-FXUDXRNXSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000376832013 438294976 /nfs/dbraw/zinc/29/49/76/438294976.db2.gz UFOSVPKSXLZMCB-LSDHHAIUSA-N 1 3 334.468 1.535 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419029220 438295421 /nfs/dbraw/zinc/29/54/21/438295421.db2.gz RHFRDSGCVBBGLX-FZKCQIBNSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419099657 438318800 /nfs/dbraw/zinc/31/88/00/438318800.db2.gz AKDQVJJZGGGTQI-GDBMZVCRSA-N 1 3 332.448 0.573 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)CC1 ZINC000419097353 438319563 /nfs/dbraw/zinc/31/95/63/438319563.db2.gz DTNSVVJFIQSNNK-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1=O ZINC000368385222 438322821 /nfs/dbraw/zinc/32/28/21/438322821.db2.gz MQFJTUDQLPSCPO-QBPKDAKJSA-N 1 3 348.491 0.530 20 0 ECADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCNCC1)CC(C)C ZINC000419126506 438333925 /nfs/dbraw/zinc/33/39/25/438333925.db2.gz NGASKXSKWNCGPS-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351767865 438336557 /nfs/dbraw/zinc/33/65/57/438336557.db2.gz HMTVWAHKWWAXKY-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000419032758 438296879 /nfs/dbraw/zinc/29/68/79/438296879.db2.gz XEFFZCSXRODJKJ-KFWWJZLASA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419050271 438306020 /nfs/dbraw/zinc/30/60/20/438306020.db2.gz YNYFPHHHQSWKMH-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420161830 438391505 /nfs/dbraw/zinc/39/15/05/438391505.db2.gz HCAJEBOFGRIAQH-GASCZTMLSA-N 1 3 336.480 0.792 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419427688 438358448 /nfs/dbraw/zinc/35/84/48/438358448.db2.gz SIEBNEBXMIJSLI-MRXNPFEDSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(C)CCN)C[N@@H+]1Cc1ccccc1 ZINC000419482189 438359460 /nfs/dbraw/zinc/35/94/60/438359460.db2.gz XXHVLNSHVTXTJB-NVXWUHKLSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(C)CCN)C[N@H+]1Cc1ccccc1 ZINC000419482189 438359464 /nfs/dbraw/zinc/35/94/64/438359464.db2.gz XXHVLNSHVTXTJB-NVXWUHKLSA-N 1 3 346.475 0.820 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419693688 438366672 /nfs/dbraw/zinc/36/66/72/438366672.db2.gz IGUNDFZBOXBIJQ-ARFHVFGLSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352097656 438381387 /nfs/dbraw/zinc/38/13/87/438381387.db2.gz VCYYTBPIQQVJNF-INMHGKMJSA-N 1 3 340.512 0.960 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)N(C)C1CC1 ZINC000359372479 438421781 /nfs/dbraw/zinc/42/17/81/438421781.db2.gz MLFRSRFLYORVFE-NFOMZHRRSA-N 1 3 338.496 0.822 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000383348697 438415880 /nfs/dbraw/zinc/41/58/80/438415880.db2.gz NPGDNFYCRWAIPD-HNNXBMFYSA-N 1 3 328.420 0.489 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359357421 438417181 /nfs/dbraw/zinc/41/71/81/438417181.db2.gz GJEWARKKEJCWRR-UHFFFAOYSA-N 1 3 330.473 0.317 20 0 ECADHO CN(Cc1ccccc1C[N@H+](C)[C@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352816572 438478993 /nfs/dbraw/zinc/47/89/93/438478993.db2.gz PKNKDDMKDFPPLL-FZDBZEDMSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccccc1C[N@@H+](C)[C@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352816572 438478996 /nfs/dbraw/zinc/47/89/96/438478996.db2.gz PKNKDDMKDFPPLL-FZDBZEDMSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccccc1C[N@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@H]1O ZINC000352816572 438478999 /nfs/dbraw/zinc/47/89/99/438478999.db2.gz PKNKDDMKDFPPLL-FZDBZEDMSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccccc1C[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@H]1O ZINC000352816572 438479005 /nfs/dbraw/zinc/47/90/05/438479005.db2.gz PKNKDDMKDFPPLL-FZDBZEDMSA-N 1 3 336.432 0.070 20 0 ECADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1(C)C ZINC000408013343 438485998 /nfs/dbraw/zinc/48/59/98/438485998.db2.gz SLQGBMQELIVWTO-CABCVRRESA-N 1 3 331.526 0.958 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000359730562 438487149 /nfs/dbraw/zinc/48/71/49/438487149.db2.gz GPFKUJBQDWRUKT-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO COCCN1CC[C@H](NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)C1 ZINC000370022240 438540749 /nfs/dbraw/zinc/54/07/49/438540749.db2.gz SKAGCWIFAGQDEU-HNNXBMFYSA-N 1 3 342.484 0.195 20 0 ECADHO COCCN1CC[C@H](NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)C1 ZINC000370022240 438540753 /nfs/dbraw/zinc/54/07/53/438540753.db2.gz SKAGCWIFAGQDEU-HNNXBMFYSA-N 1 3 342.484 0.195 20 0 ECADHO CN(C)CCn1ccc(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000369778662 438511393 /nfs/dbraw/zinc/51/13/93/438511393.db2.gz DLZKPYNCWFJJRY-GOOCMWNKSA-N 1 3 334.468 1.439 20 0 ECADHO CN(C)CCn1ccc(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000369778662 438511401 /nfs/dbraw/zinc/51/14/01/438511401.db2.gz DLZKPYNCWFJJRY-GOOCMWNKSA-N 1 3 334.468 1.439 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000422113636 438521527 /nfs/dbraw/zinc/52/15/27/438521527.db2.gz HXVKIZRDEYYOOZ-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000422121928 438523963 /nfs/dbraw/zinc/52/39/63/438523963.db2.gz VWENYUQKPNQVRW-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000422121928 438523966 /nfs/dbraw/zinc/52/39/66/438523966.db2.gz VWENYUQKPNQVRW-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422126764 438525782 /nfs/dbraw/zinc/52/57/82/438525782.db2.gz BLFASGGQSUVYLT-HNNXBMFYSA-N 1 3 338.496 0.918 20 0 ECADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410439051 438584520 /nfs/dbraw/zinc/58/45/20/438584520.db2.gz VEKGLVPFOVHMBG-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410439051 438584522 /nfs/dbraw/zinc/58/45/22/438584522.db2.gz VEKGLVPFOVHMBG-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CCn1ccnc1CN(C(=O)CNCCOC)[C@H]1CC12CC[NH2+]CC2 ZINC000370165644 438557375 /nfs/dbraw/zinc/55/73/75/438557375.db2.gz WILWFXAOKGMUFO-HNNXBMFYSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422908898 438615204 /nfs/dbraw/zinc/61/52/04/438615204.db2.gz DVFBZLXRFUZAPP-QAPCUYQASA-N 1 3 348.491 0.835 20 0 ECADHO COC[C@H](CCC[NH3+])N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000423123013 438639267 /nfs/dbraw/zinc/63/92/67/438639267.db2.gz KQJYDCGGKZPZNZ-GJZGRUSLSA-N 1 3 341.477 0.793 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423122497 438639520 /nfs/dbraw/zinc/63/95/20/438639520.db2.gz CMMJEGCYUJWPMB-HUUCEWRRSA-N 1 3 326.485 0.618 20 0 ECADHO COC[C@]1(C(=O)NCCc2ccc(OCCN(C)C)cc2)CC[NH2+]C1 ZINC000423377087 438668543 /nfs/dbraw/zinc/66/85/43/438668543.db2.gz JRDBEDFUQYBUBW-IBGZPJMESA-N 1 3 349.475 0.912 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423498133 438680339 /nfs/dbraw/zinc/68/03/39/438680339.db2.gz GNJWLLQXCGBOJX-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423511301 438681526 /nfs/dbraw/zinc/68/15/26/438681526.db2.gz OOMCZJDPUJWAST-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423581833 438691511 /nfs/dbraw/zinc/69/15/11/438691511.db2.gz DVEYUNJGGWLDGY-AWEZNQCLSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CN1C1CC1 ZINC000414181056 438700002 /nfs/dbraw/zinc/70/00/02/438700002.db2.gz BSDUEJZEIQBMDX-IRXDYDNUSA-N 1 3 336.524 0.998 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000410803001 438659019 /nfs/dbraw/zinc/65/90/19/438659019.db2.gz UKBLOLZCEMGEBL-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)[N@H+](C)C1CC1 ZINC000414880622 438719671 /nfs/dbraw/zinc/71/96/71/438719671.db2.gz QSKPDQWALPTZRO-GFCCVEGCSA-N 1 3 346.431 0.706 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)[N@@H+](C)C1CC1 ZINC000414880622 438719674 /nfs/dbraw/zinc/71/96/74/438719674.db2.gz QSKPDQWALPTZRO-GFCCVEGCSA-N 1 3 346.431 0.706 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000575139071 438739607 /nfs/dbraw/zinc/73/96/07/438739607.db2.gz WCECTFFSTSVKIG-CVEARBPZSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000553135494 438746022 /nfs/dbraw/zinc/74/60/22/438746022.db2.gz HQOFFIGNXGPKLN-OAHLLOKOSA-N 1 3 334.464 0.816 20 0 ECADHO C[C@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)C1=CCN(C)CC1 ZINC000575732047 438752871 /nfs/dbraw/zinc/75/28/71/438752871.db2.gz CVSHGSVDGQMXJO-ZDUSSCGKSA-N 1 3 345.451 0.658 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CCC1 ZINC000575826012 438756261 /nfs/dbraw/zinc/75/62/61/438756261.db2.gz UXZUUPYZDJUBNS-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CCC1 ZINC000575826012 438756263 /nfs/dbraw/zinc/75/62/63/438756263.db2.gz UXZUUPYZDJUBNS-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NCCCNCc1cccnc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000576986591 438808064 /nfs/dbraw/zinc/80/80/64/438808064.db2.gz SDMVNXCKIGOHSK-OAHLLOKOSA-N 1 3 343.435 0.335 20 0 ECADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000509801715 438808229 /nfs/dbraw/zinc/80/82/29/438808229.db2.gz CKWFIJSJPPZOSI-DZKIICNBSA-N 1 3 342.484 0.092 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[N@@H+]1C ZINC000558218234 438805117 /nfs/dbraw/zinc/80/51/17/438805117.db2.gz SQPQZMJOWDPCNN-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[N@H+]1C ZINC000558218234 438805118 /nfs/dbraw/zinc/80/51/18/438805118.db2.gz SQPQZMJOWDPCNN-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000576108030 438769334 /nfs/dbraw/zinc/76/93/34/438769334.db2.gz KGFLGDYQYAIMPC-OLZOCXBDSA-N 1 3 329.466 0.164 20 0 ECADHO COC(=O)C[C@H]1CSCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000576108030 438769335 /nfs/dbraw/zinc/76/93/35/438769335.db2.gz KGFLGDYQYAIMPC-OLZOCXBDSA-N 1 3 329.466 0.164 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000577370469 438835889 /nfs/dbraw/zinc/83/58/89/438835889.db2.gz JVDBZPPLNAEXAW-HUUCEWRRSA-N 1 3 326.485 0.727 20 0 ECADHO C[NH+](C)CCC1CCN(C(=O)NC2CCN(CCO)CC2)CC1 ZINC000601330281 438849659 /nfs/dbraw/zinc/84/96/59/438849659.db2.gz TZLNCCWVXKKVSJ-UHFFFAOYSA-N 1 3 326.485 0.816 20 0 ECADHO Cc1c(-c2cc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)on2)cnn1C ZINC000564988203 438900504 /nfs/dbraw/zinc/90/05/04/438900504.db2.gz BIZGTRNHPKMOHZ-CYBMUJFWSA-N 1 3 346.435 0.670 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000578185446 438903405 /nfs/dbraw/zinc/90/34/05/438903405.db2.gz FGKQVQQHCFZQTQ-FPCVCCKLSA-N 1 3 334.464 0.140 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000595967273 438903814 /nfs/dbraw/zinc/90/38/14/438903814.db2.gz QSHCGMUPTSEYNC-RBSFLKMASA-N 1 3 337.395 0.668 20 0 ECADHO CN1CCN(c2ncccc2C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000516450429 438906847 /nfs/dbraw/zinc/90/68/47/438906847.db2.gz OLUHJGCKMNWPBS-ZWKOTPCHSA-N 1 3 345.491 0.690 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)C1 ZINC000577643808 438858935 /nfs/dbraw/zinc/85/89/35/438858935.db2.gz QLIOLKUFKURDJA-SFHVURJKSA-N 1 3 336.480 0.518 20 0 ECADHO COC(=O)CCN1CCC[C@H](N2CCC([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000595895584 438879707 /nfs/dbraw/zinc/87/97/07/438879707.db2.gz PRUQUWDXBUYAOR-CVEARBPZSA-N 1 3 337.464 0.862 20 0 ECADHO O[C@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)Cn1cccn1 ZINC000577948165 438883137 /nfs/dbraw/zinc/88/31/37/438883137.db2.gz PTGSKGMOHKIGIT-LJQANCHMSA-N 1 3 344.459 0.991 20 0 ECADHO N[C@H]1C[C@H]2CN(C(=O)NCCCCC[NH+]3CCCC3)CCN2C1=O ZINC000516664566 438921712 /nfs/dbraw/zinc/92/17/12/438921712.db2.gz KPJRXXXCBIUURK-GJZGRUSLSA-N 1 3 337.468 0.206 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000516879082 438932379 /nfs/dbraw/zinc/93/23/79/438932379.db2.gz KZJDZYPUWGTXLT-WBVHZDCISA-N 1 3 346.475 0.615 20 0 ECADHO CC[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000578738226 438946835 /nfs/dbraw/zinc/94/68/35/438946835.db2.gz VFKLAEJXQHWPMM-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO COC(=O)[C@@H]1O[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@H]1C ZINC000601663416 438951910 /nfs/dbraw/zinc/95/19/10/438951910.db2.gz DECSQQIDPOSFOH-LXTVHRRPSA-N 1 3 343.468 0.341 20 0 ECADHO COC(=O)[C@@H]1O[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@H]1C ZINC000601663416 438951912 /nfs/dbraw/zinc/95/19/12/438951912.db2.gz DECSQQIDPOSFOH-LXTVHRRPSA-N 1 3 343.468 0.341 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000517233246 438956248 /nfs/dbraw/zinc/95/62/48/438956248.db2.gz MAPGESWMJMUGQE-WBVHZDCISA-N 1 3 344.459 0.577 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000517233246 438956253 /nfs/dbraw/zinc/95/62/53/438956253.db2.gz MAPGESWMJMUGQE-WBVHZDCISA-N 1 3 344.459 0.577 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)C1=CCN(C)CC1 ZINC000579227580 438990168 /nfs/dbraw/zinc/99/01/68/438990168.db2.gz RAJWDAKZIJFZQQ-GJZGRUSLSA-N 1 3 348.491 0.744 20 0 ECADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000579942253 439049316 /nfs/dbraw/zinc/04/93/16/439049316.db2.gz PEUXGMJRSFZHRF-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000519727223 439057297 /nfs/dbraw/zinc/05/72/97/439057297.db2.gz OKOOWKFZFGSLFJ-IBGZPJMESA-N 1 3 347.459 0.814 20 0 ECADHO CSCC[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566206065 439024407 /nfs/dbraw/zinc/02/44/07/439024407.db2.gz MONGYGAKGRHQMU-UWVGGRQHSA-N 1 3 328.404 0.019 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCOCCN(C)C)CC1 ZINC000471664237 439092153 /nfs/dbraw/zinc/09/21/53/439092153.db2.gz UKTBMUAMTOSMIG-UHFFFAOYSA-N 1 3 330.473 0.099 20 0 ECADHO CN(CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000602469827 439093867 /nfs/dbraw/zinc/09/38/67/439093867.db2.gz XNAOXFFIUVIREJ-JOCHJYFZSA-N 1 3 329.510 0.868 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000602522576 439104645 /nfs/dbraw/zinc/10/46/45/439104645.db2.gz DUXMWKVVKFLOLA-IXDOHACOSA-N 1 3 342.443 0.279 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000602522576 439104651 /nfs/dbraw/zinc/10/46/51/439104651.db2.gz DUXMWKVVKFLOLA-IXDOHACOSA-N 1 3 342.443 0.279 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)COC)CC2)CC1 ZINC000567059658 439112008 /nfs/dbraw/zinc/11/20/08/439112008.db2.gz CXACHYUPJUCPDC-HNNXBMFYSA-N 1 3 327.469 0.306 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000566547878 439069220 /nfs/dbraw/zinc/06/92/20/439069220.db2.gz BDLGNQDVBHFCSU-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000591736724 439076949 /nfs/dbraw/zinc/07/69/49/439076949.db2.gz KFJVBLCIOPMJSN-HOCLYGCPSA-N 1 3 327.469 0.449 20 0 ECADHO CN1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000522002530 439137122 /nfs/dbraw/zinc/13/71/22/439137122.db2.gz ZGCRKGSAQMJPOB-CJNGLKHVSA-N 1 3 332.452 0.759 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000567644338 439161777 /nfs/dbraw/zinc/16/17/77/439161777.db2.gz PHPQSGDLOHMDGE-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO COC(=O)c1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000603138256 439196005 /nfs/dbraw/zinc/19/60/05/439196005.db2.gz JPGFLHXPQYHMJK-UHFFFAOYSA-N 1 3 337.424 0.825 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000567917284 439196184 /nfs/dbraw/zinc/19/61/84/439196184.db2.gz DMMOYGIMURSSFN-ZIAGYGMSSA-N 1 3 339.484 0.369 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000568087049 439210784 /nfs/dbraw/zinc/21/07/84/439210784.db2.gz KMIXACNFCACQQX-SJORKVTESA-N 1 3 331.464 0.313 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000568415884 439245354 /nfs/dbraw/zinc/24/53/54/439245354.db2.gz GVUFTWWVIAGHKI-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000568618446 439261569 /nfs/dbraw/zinc/26/15/69/439261569.db2.gz KJXJHRZUIUZAEF-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO CCN1CCN(CCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592961222 439324734 /nfs/dbraw/zinc/32/47/34/439324734.db2.gz JKPUXFNEFDURIB-HNNXBMFYSA-N 1 3 348.495 0.477 20 0 ECADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569003961 439298572 /nfs/dbraw/zinc/29/85/72/439298572.db2.gz WHZONKZXYMBFLW-IHRRRGAJSA-N 1 3 337.468 0.060 20 0 ECADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569003961 439298574 /nfs/dbraw/zinc/29/85/74/439298574.db2.gz WHZONKZXYMBFLW-IHRRRGAJSA-N 1 3 337.468 0.060 20 0 ECADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000582839332 439386380 /nfs/dbraw/zinc/38/63/80/439386380.db2.gz WMPDMPIFVOFDQZ-HZPDHXFCSA-N 1 3 348.491 0.530 20 0 ECADHO COCCN(C)C[C@H](O)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000571340990 439495001 /nfs/dbraw/zinc/49/50/01/439495001.db2.gz WGLWJUDAWICWAA-LUKYLMHMSA-N 1 3 329.485 0.109 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000583984838 439534387 /nfs/dbraw/zinc/53/43/87/439534387.db2.gz ZLLAHAZDSFSGIG-RHSMWYFYSA-N 1 3 344.459 0.586 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000583984838 439534392 /nfs/dbraw/zinc/53/43/92/439534392.db2.gz ZLLAHAZDSFSGIG-RHSMWYFYSA-N 1 3 344.459 0.586 20 0 ECADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CNCCC1(F)F ZINC000583983902 439534751 /nfs/dbraw/zinc/53/47/51/439534751.db2.gz YZBOVTGBCJJTTN-CYBMUJFWSA-N 1 3 346.422 0.928 20 0 ECADHO NC(=O)NC(=O)CC[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000583989705 439535173 /nfs/dbraw/zinc/53/51/73/439535173.db2.gz NJSUBTVLDKEPJU-UHFFFAOYSA-N 1 3 334.420 0.318 20 0 ECADHO CN1CCC[C@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000594978183 439646638 /nfs/dbraw/zinc/64/66/38/439646638.db2.gz RDVPVUOVQLINRQ-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCC[C@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000594978183 439646640 /nfs/dbraw/zinc/64/66/40/439646640.db2.gz RDVPVUOVQLINRQ-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO COC[C@]1(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CCC[NH2+]1 ZINC000573562442 439653539 /nfs/dbraw/zinc/65/35/39/439653539.db2.gz IHIBQZGUJUGHGH-DLTLXFJOSA-N 1 3 325.453 0.404 20 0 ECADHO O=C(NCCN1CC=CCC1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000573823183 439670774 /nfs/dbraw/zinc/67/07/74/439670774.db2.gz BEMHLOULXNJWGI-UHFFFAOYSA-N 1 3 335.496 0.764 20 0 ECADHO O=C(NCCN1CC=CCC1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000573823183 439670776 /nfs/dbraw/zinc/67/07/76/439670776.db2.gz BEMHLOULXNJWGI-UHFFFAOYSA-N 1 3 335.496 0.764 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000611651982 439714252 /nfs/dbraw/zinc/71/42/52/439714252.db2.gz XYKNSAGHXVFRED-UMVBOHGHSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000611651982 439714255 /nfs/dbraw/zinc/71/42/55/439714255.db2.gz XYKNSAGHXVFRED-UMVBOHGHSA-N 1 3 336.480 0.574 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O ZINC000616995545 439826758 /nfs/dbraw/zinc/82/67/58/439826758.db2.gz UIIXGERKOYIORY-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1=O ZINC000616995545 439826763 /nfs/dbraw/zinc/82/67/63/439826763.db2.gz UIIXGERKOYIORY-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652468637 439860247 /nfs/dbraw/zinc/86/02/47/439860247.db2.gz MUNNJIMKLJGWQO-INIZCTEOSA-N 1 3 338.496 0.731 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652468637 439860254 /nfs/dbraw/zinc/86/02/54/439860254.db2.gz MUNNJIMKLJGWQO-INIZCTEOSA-N 1 3 338.496 0.731 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000662759575 439881867 /nfs/dbraw/zinc/88/18/67/439881867.db2.gz UVCDNNHGYVDUMO-SJORKVTESA-N 1 3 347.463 0.074 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662754035 439874696 /nfs/dbraw/zinc/87/46/96/439874696.db2.gz BSWLPCDIBOGYLP-SNPRPXQTSA-N 1 3 332.452 0.805 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662754034 439875122 /nfs/dbraw/zinc/87/51/22/439875122.db2.gz BSWLPCDIBOGYLP-BPLDGKMQSA-N 1 3 332.452 0.805 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCN(C)CCC[NH+](C)C)C1(C)C ZINC000662632170 439829572 /nfs/dbraw/zinc/82/95/72/439829572.db2.gz NPFJYXXGRDXKQU-RHSMWYFYSA-N 1 3 328.501 0.519 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652398441 439836234 /nfs/dbraw/zinc/83/62/34/439836234.db2.gz CMVZPHSZSKPNDK-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626787854 439881490 /nfs/dbraw/zinc/88/14/90/439881490.db2.gz KVTNKJUCNSCNSI-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662709504 439853450 /nfs/dbraw/zinc/85/34/50/439853450.db2.gz SEOIWPPIPGPAEE-SJORKVTESA-N 1 3 347.463 0.791 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000652697823 439925933 /nfs/dbraw/zinc/92/59/33/439925933.db2.gz OIQSIYPAKVSQEJ-INIZCTEOSA-N 1 3 332.448 0.747 20 0 ECADHO CN(C(=O)CNC[C@H]1CCCO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900723 439931765 /nfs/dbraw/zinc/93/17/65/439931765.db2.gz PAQMSVFDIFFAFT-DLBZAZTESA-N 1 3 338.496 0.382 20 0 ECADHO CN(C(=O)CNC[C@H]1CCCO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900723 439931773 /nfs/dbraw/zinc/93/17/73/439931773.db2.gz PAQMSVFDIFFAFT-DLBZAZTESA-N 1 3 338.496 0.382 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cn1 ZINC000631817286 439932566 /nfs/dbraw/zinc/93/25/66/439932566.db2.gz JFPLOZIKHLUGPD-QGZVFWFLSA-N 1 3 349.479 0.772 20 0 ECADHO COCCN(CCN(C)C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662791952 439890725 /nfs/dbraw/zinc/89/07/25/439890725.db2.gz UELSXCRFWDPPTF-AWEZNQCLSA-N 1 3 338.456 0.243 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN1c1ncccn1 ZINC000617504176 439900091 /nfs/dbraw/zinc/90/00/91/439900091.db2.gz JCBSNFSJXQXUBI-JKSUJKDBSA-N 1 3 348.495 0.834 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN1c1ncccn1 ZINC000617504176 439900099 /nfs/dbraw/zinc/90/00/99/439900099.db2.gz JCBSNFSJXQXUBI-JKSUJKDBSA-N 1 3 348.495 0.834 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(-n2cnnn2)c1 ZINC000617503603 439901176 /nfs/dbraw/zinc/90/11/76/439901176.db2.gz QGIAQFXIUNSNPS-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(-n2cnnn2)c1 ZINC000617503603 439901182 /nfs/dbraw/zinc/90/11/82/439901182.db2.gz QGIAQFXIUNSNPS-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000617502366 439901655 /nfs/dbraw/zinc/90/16/55/439901655.db2.gz MTUFPQUJZBAWSX-KBPBESRZSA-N 1 3 338.452 0.786 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000617502366 439901659 /nfs/dbraw/zinc/90/16/59/439901659.db2.gz MTUFPQUJZBAWSX-KBPBESRZSA-N 1 3 338.452 0.786 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000617507811 439904192 /nfs/dbraw/zinc/90/41/92/439904192.db2.gz JYUPSEKXFLPVTA-NSHDSACASA-N 1 3 334.424 0.665 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000617507811 439904200 /nfs/dbraw/zinc/90/42/00/439904200.db2.gz JYUPSEKXFLPVTA-NSHDSACASA-N 1 3 334.424 0.665 20 0 ECADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662857736 439915247 /nfs/dbraw/zinc/91/52/47/439915247.db2.gz BJJHANNEJHQBQL-DLBZAZTESA-N 1 3 332.448 0.774 20 0 ECADHO C[C@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000631912693 439973793 /nfs/dbraw/zinc/97/37/93/439973793.db2.gz SXAHCELSXKJQLN-UONOGXRCSA-N 1 3 332.514 0.625 20 0 ECADHO CN(C)C1(CNC(=O)NCC2([NH3+])CCOCC2)Cc2ccccc2C1 ZINC000626984154 439979833 /nfs/dbraw/zinc/97/98/33/439979833.db2.gz AWXXEWXODDKKBN-UHFFFAOYSA-N 1 3 346.475 0.893 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000642439509 439980222 /nfs/dbraw/zinc/98/02/22/439980222.db2.gz JZBBGWOWINXXOI-JJXSEGSLSA-N 1 3 336.480 0.563 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000636663813 439983736 /nfs/dbraw/zinc/98/37/36/439983736.db2.gz XZJHDNZYRLTGJR-CQSZACIVSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000642471635 439984362 /nfs/dbraw/zinc/98/43/62/439984362.db2.gz VJXFGZGQJLHHHN-GDBMZVCRSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCCN(C)C)c2)C[NH2+]1 ZINC000626886916 439938555 /nfs/dbraw/zinc/93/85/55/439938555.db2.gz PYFWZUYXIVGEPC-UKRRQHHQSA-N 1 3 348.447 0.822 20 0 ECADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000652723089 439944395 /nfs/dbraw/zinc/94/43/95/439944395.db2.gz LIOQXJFPIHONGU-INIZCTEOSA-N 1 3 336.480 0.579 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000631924641 439985915 /nfs/dbraw/zinc/98/59/15/439985915.db2.gz AIBQKODMCLXHHZ-UHFFFAOYSA-N 1 3 344.525 0.912 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000662933616 439951370 /nfs/dbraw/zinc/95/13/70/439951370.db2.gz HEYBIIZTPVQMFX-CSLYMUCUSA-N 1 3 334.464 0.413 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636598443 439951954 /nfs/dbraw/zinc/95/19/54/439951954.db2.gz KLWZTRWJPVLSEL-HOCLYGCPSA-N 1 3 338.496 0.966 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000662944845 439961008 /nfs/dbraw/zinc/96/10/08/439961008.db2.gz VBQXSLQJADIYPF-RGUMBQAQSA-N 1 3 346.475 0.411 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000662944845 439961015 /nfs/dbraw/zinc/96/10/15/439961015.db2.gz VBQXSLQJADIYPF-RGUMBQAQSA-N 1 3 346.475 0.411 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCCNCc1cccnc1 ZINC000631901745 439962993 /nfs/dbraw/zinc/96/29/93/439962993.db2.gz NBMDGOHMRHRMKE-UHFFFAOYSA-N 1 3 341.481 0.080 20 0 ECADHO C[C@@]1(C(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]C1 ZINC000663014654 439988921 /nfs/dbraw/zinc/98/89/21/439988921.db2.gz MYDRFVIKOXVKFM-KBXCAEBGSA-N 1 3 346.479 0.525 20 0 ECADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017746 439992672 /nfs/dbraw/zinc/99/26/72/439992672.db2.gz KSKXUQBROMNHSB-XJKSGUPXSA-N 1 3 346.479 0.523 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000631949119 440005868 /nfs/dbraw/zinc/00/58/68/440005868.db2.gz XYGCQSPPLIXLLB-ZNMIVQPWSA-N 1 3 333.498 0.629 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000631954865 440010945 /nfs/dbraw/zinc/01/09/45/440010945.db2.gz YRQOIWHBRLJODP-WDEREUQCSA-N 1 3 331.404 0.727 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631966062 440015055 /nfs/dbraw/zinc/01/50/55/440015055.db2.gz MKBORHWPQGFDHB-BXUZGUMPSA-N 1 3 343.497 0.277 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])Cc1ccccc1 ZINC000642723048 440016631 /nfs/dbraw/zinc/01/66/31/440016631.db2.gz QQHBWFDJVBXPTM-ZBFHGGJFSA-N 1 3 334.464 0.519 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000642785906 440038597 /nfs/dbraw/zinc/03/85/97/440038597.db2.gz PNHOBNFOBJSBFO-INIZCTEOSA-N 1 3 336.480 0.435 20 0 ECADHO [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000663016605 439988458 /nfs/dbraw/zinc/98/84/58/439988458.db2.gz HACKXQVIZPBWSK-IHRRRGAJSA-N 1 3 332.452 0.263 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000627239205 440062676 /nfs/dbraw/zinc/06/26/76/440062676.db2.gz CIEVFOROCREFET-LESCRADOSA-N 1 3 332.448 0.673 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000642924664 440066013 /nfs/dbraw/zinc/06/60/13/440066013.db2.gz HQMRPBDVJZBWBU-ROUUACIJSA-N 1 3 346.475 0.967 20 0 ECADHO CN(C)CCn1c2cc(NC(=O)[C@H](N)CC[NH+](C)C)ccc2oc1=O ZINC000653114299 440066728 /nfs/dbraw/zinc/06/67/28/440066728.db2.gz DFXSNQYQRAXKSL-CYBMUJFWSA-N 1 3 349.435 0.374 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000642958571 440069402 /nfs/dbraw/zinc/06/94/02/440069402.db2.gz UMEOHTHUUOQQHF-MGPQQGTHSA-N 1 3 340.468 0.205 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000642979731 440073938 /nfs/dbraw/zinc/07/39/38/440073938.db2.gz JLOSFDCNJJUZRG-MRXNPFEDSA-N 1 3 344.459 0.717 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000642984332 440075835 /nfs/dbraw/zinc/07/58/35/440075835.db2.gz JMLPAESADAYYEL-JJXSEGSLSA-N 1 3 336.480 0.717 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000642984333 440076323 /nfs/dbraw/zinc/07/63/23/440076323.db2.gz JMLPAESADAYYEL-JONQDZQNSA-N 1 3 336.480 0.717 20 0 ECADHO CC(C)OCC[NH+]1CCC(NC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000636884841 440082825 /nfs/dbraw/zinc/08/28/25/440082825.db2.gz KMRROWAYEQARHJ-INIZCTEOSA-N 1 3 342.484 0.242 20 0 ECADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000663488896 440083247 /nfs/dbraw/zinc/08/32/47/440083247.db2.gz VCCFTNWBJYJUIE-MRXNPFEDSA-N 1 3 330.432 0.494 20 0 ECADHO C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000653155657 440085771 /nfs/dbraw/zinc/08/57/71/440085771.db2.gz BFFGBSCCKLZYEF-MSOLQXFVSA-N 1 3 348.491 0.673 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000642796478 440044374 /nfs/dbraw/zinc/04/43/74/440044374.db2.gz BIBRTZXHPYTTRV-ZIAGYGMSSA-N 1 3 332.448 0.792 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000642908449 440057747 /nfs/dbraw/zinc/05/77/47/440057747.db2.gz RSDCWENNJBBMKN-ZOBUZTSGSA-N 1 3 346.475 0.961 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000653369905 440137276 /nfs/dbraw/zinc/13/72/76/440137276.db2.gz ZKMZODHYIWWDLQ-INIZCTEOSA-N 1 3 340.512 0.929 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000653369905 440137281 /nfs/dbraw/zinc/13/72/81/440137281.db2.gz ZKMZODHYIWWDLQ-INIZCTEOSA-N 1 3 340.512 0.929 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N(C)Cc1ccccc1 ZINC000627303911 440108559 /nfs/dbraw/zinc/10/85/59/440108559.db2.gz GWCTWZSXXOZNHA-INMHGKMJSA-N 1 3 346.475 0.880 20 0 ECADHO CC1([NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000643494590 440184894 /nfs/dbraw/zinc/18/48/94/440184894.db2.gz GDPIABHVIRKEJF-HNNXBMFYSA-N 1 3 336.480 0.803 20 0 ECADHO CC(C)(O)CN1CCC([NH2+]CCCN2CCC[C@H](C(N)=O)C2)CC1 ZINC000647908990 440188256 /nfs/dbraw/zinc/18/82/56/440188256.db2.gz DMYSHNKKPIZMBX-HNNXBMFYSA-N 1 3 340.512 0.399 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498795 440190142 /nfs/dbraw/zinc/19/01/42/440190142.db2.gz WYTSRRYGXXMBTA-OWCLPIDISA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643516634 440195420 /nfs/dbraw/zinc/19/54/20/440195420.db2.gz CSBLXACFPIBBMU-RVKKMQEKSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000637052208 440147698 /nfs/dbraw/zinc/14/76/98/440147698.db2.gz VYIMXIMSHUQGLA-NXHRZFHOSA-N 1 3 346.475 0.873 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000637052208 440147702 /nfs/dbraw/zinc/14/77/02/440147702.db2.gz VYIMXIMSHUQGLA-NXHRZFHOSA-N 1 3 346.475 0.873 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCN(c2ccncc2)CC1 ZINC000627445943 440211440 /nfs/dbraw/zinc/21/14/40/440211440.db2.gz BXUXUJCVLQNIFF-OAHLLOKOSA-N 1 3 343.431 0.131 20 0 ECADHO CN1CCC(C[NH2+]C[C@@H]2CNc3ccnn3C2)(N2CCOCC2)CC1 ZINC000648043359 440222099 /nfs/dbraw/zinc/22/20/99/440222099.db2.gz UMEIPONJGIOMNN-MRXNPFEDSA-N 1 3 348.495 0.311 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000643531768 440202244 /nfs/dbraw/zinc/20/22/44/440202244.db2.gz HEKWHCOSYWMAQI-HYVNUMGLSA-N 1 3 344.459 0.525 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000637367071 440241706 /nfs/dbraw/zinc/24/17/06/440241706.db2.gz IJCGDCKNLUNJOZ-IXDOHACOSA-N 1 3 336.480 0.854 20 0 ECADHO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000637367071 440241711 /nfs/dbraw/zinc/24/17/11/440241711.db2.gz IJCGDCKNLUNJOZ-IXDOHACOSA-N 1 3 336.480 0.854 20 0 ECADHO CC(C)N1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1=O ZINC000664126056 440241034 /nfs/dbraw/zinc/24/10/34/440241034.db2.gz ABRYRJYLYFHKKM-LSDHHAIUSA-N 1 3 341.500 0.567 20 0 ECADHO CC(C)N1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1=O ZINC000664126056 440241041 /nfs/dbraw/zinc/24/10/41/440241041.db2.gz ABRYRJYLYFHKKM-LSDHHAIUSA-N 1 3 341.500 0.567 20 0 ECADHO CCC[N@@H+]1CC[C@H](NS(=O)(=O)CCCN2CCN(C)CC2)C1 ZINC000632567855 440289248 /nfs/dbraw/zinc/28/92/48/440289248.db2.gz PIXNEWBJHZTTCE-HNNXBMFYSA-N 1 3 332.514 0.028 20 0 ECADHO CCC[N@H+]1CC[C@H](NS(=O)(=O)CCCN2CCN(C)CC2)C1 ZINC000632567855 440289251 /nfs/dbraw/zinc/28/92/51/440289251.db2.gz PIXNEWBJHZTTCE-HNNXBMFYSA-N 1 3 332.514 0.028 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654377766 440304773 /nfs/dbraw/zinc/30/47/73/440304773.db2.gz WVBZQNNEXURERA-YESZJQIVSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654377766 440304777 /nfs/dbraw/zinc/30/47/77/440304777.db2.gz WVBZQNNEXURERA-YESZJQIVSA-N 1 3 338.496 0.959 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NC[C@H]3CCC[NH2+]3)ccc2[nH]c1=O ZINC000637827923 440346239 /nfs/dbraw/zinc/34/62/39/440346239.db2.gz WLIAQBOIWBWOSX-CYBMUJFWSA-N 1 3 331.420 0.785 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1(C)C ZINC000654555332 440347921 /nfs/dbraw/zinc/34/79/21/440347921.db2.gz OKKRYGHMALLZTO-GASCZTMLSA-N 1 3 325.501 0.652 20 0 ECADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659603993 440371017 /nfs/dbraw/zinc/37/10/17/440371017.db2.gz FBNIMLOMFGGSOF-GFCCVEGCSA-N 1 3 336.440 0.561 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000659449292 440327485 /nfs/dbraw/zinc/32/74/85/440327485.db2.gz WWBDWUXKDHLKRC-CYBMUJFWSA-N 1 3 335.452 0.385 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659458985 440330506 /nfs/dbraw/zinc/33/05/06/440330506.db2.gz BFNBZMJKUXYKJO-JKSUJKDBSA-N 1 3 327.517 0.933 20 0 ECADHO C[NH+](C)CC[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)(C)C ZINC000659456107 440330775 /nfs/dbraw/zinc/33/07/75/440330775.db2.gz HSSOPMJCSHDKSA-GFCCVEGCSA-N 1 3 338.456 0.807 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000659631854 440384729 /nfs/dbraw/zinc/38/47/29/440384729.db2.gz IOFALCZAKHURCK-UHFFFAOYSA-N 1 3 348.451 0.801 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000659631854 440384734 /nfs/dbraw/zinc/38/47/34/440384734.db2.gz IOFALCZAKHURCK-UHFFFAOYSA-N 1 3 348.451 0.801 20 0 ECADHO CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665000575 440401315 /nfs/dbraw/zinc/40/13/15/440401315.db2.gz MAYKCCRPIQQWKA-ARFHVFGLSA-N 1 3 344.500 0.609 20 0 ECADHO CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665000575 440401318 /nfs/dbraw/zinc/40/13/18/440401318.db2.gz MAYKCCRPIQQWKA-ARFHVFGLSA-N 1 3 344.500 0.609 20 0 ECADHO CO[C@@H]1COCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665000577 440401504 /nfs/dbraw/zinc/40/15/04/440401504.db2.gz MAYKCCRPIQQWKA-HRCADAONSA-N 1 3 344.500 0.609 20 0 ECADHO CO[C@@H]1COCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665000577 440401508 /nfs/dbraw/zinc/40/15/08/440401508.db2.gz MAYKCCRPIQQWKA-HRCADAONSA-N 1 3 344.500 0.609 20 0 ECADHO O=C(CN1CCNCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000638083722 440428551 /nfs/dbraw/zinc/42/85/51/440428551.db2.gz BTISKQRVOBRYJO-GOSISDBHSA-N 1 3 330.476 0.572 20 0 ECADHO O=C(CN1CCNCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000638083722 440428557 /nfs/dbraw/zinc/42/85/57/440428557.db2.gz BTISKQRVOBRYJO-GOSISDBHSA-N 1 3 330.476 0.572 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000659677953 440413262 /nfs/dbraw/zinc/41/32/62/440413262.db2.gz JDNJKPYWTIUYCR-RDJZCZTQSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C[NH+]1CCCC1 ZINC000644196982 440469447 /nfs/dbraw/zinc/46/94/47/440469447.db2.gz JXFMUUVDHVXVHB-CWRNSKLLSA-N 1 3 334.468 0.588 20 0 ECADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000633091807 440437488 /nfs/dbraw/zinc/43/74/88/440437488.db2.gz YCAMWUOXWPVABK-HZPDHXFCSA-N 1 3 336.480 0.803 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659707805 440442168 /nfs/dbraw/zinc/44/21/68/440442168.db2.gz ZGDCWJFWNKLGSU-MRXNPFEDSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@H](CNC(=O)Cc1cccc2c1CC[NH2+]C2)CN1CCN(C)CC1 ZINC000638138096 440458616 /nfs/dbraw/zinc/45/86/16/440458616.db2.gz VKEPXTFVGVLNLI-MRXNPFEDSA-N 1 3 344.503 0.875 20 0 ECADHO COC[C@@]1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCCN1 ZINC000638139879 440460883 /nfs/dbraw/zinc/46/08/83/440460883.db2.gz PPVBOHXHUOSYFK-SJLPKXTDSA-N 1 3 338.496 0.384 20 0 ECADHO COC[C@@]1(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCCCN1 ZINC000638139879 440460887 /nfs/dbraw/zinc/46/08/87/440460887.db2.gz PPVBOHXHUOSYFK-SJLPKXTDSA-N 1 3 338.496 0.384 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638239304 440486815 /nfs/dbraw/zinc/48/68/15/440486815.db2.gz MGPGMLZHUCWSQB-KRWDZBQOSA-N 1 3 341.496 0.819 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000638356936 440520269 /nfs/dbraw/zinc/52/02/69/440520269.db2.gz IMJHXTKWJWQPQD-XHSDSOJGSA-N 1 3 329.485 0.803 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC1(O)CCOCC1 ZINC000665761584 440525258 /nfs/dbraw/zinc/52/52/58/440525258.db2.gz JCJRBINWTFFYMF-HNNXBMFYSA-N 1 3 344.500 0.441 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC1(O)CCOCC1 ZINC000665761584 440525263 /nfs/dbraw/zinc/52/52/63/440525263.db2.gz JCJRBINWTFFYMF-HNNXBMFYSA-N 1 3 344.500 0.441 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000665762839 440525339 /nfs/dbraw/zinc/52/53/39/440525339.db2.gz RNHMXCYGBGGCCA-GJZGRUSLSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000665762839 440525342 /nfs/dbraw/zinc/52/53/42/440525342.db2.gz RNHMXCYGBGGCCA-GJZGRUSLSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCn2cnnc2[C@H]1C ZINC000665761418 440525380 /nfs/dbraw/zinc/52/53/80/440525380.db2.gz CMDDSIUSZSNMFZ-UONOGXRCSA-N 1 3 337.472 0.636 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCn2cnnc2[C@H]1C ZINC000665761418 440525382 /nfs/dbraw/zinc/52/53/82/440525382.db2.gz CMDDSIUSZSNMFZ-UONOGXRCSA-N 1 3 337.472 0.636 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000638392794 440525471 /nfs/dbraw/zinc/52/54/71/440525471.db2.gz IZXWWGVYYQDLPO-BRWVUGGUSA-N 1 3 349.479 0.946 20 0 ECADHO CCN1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000665761578 440526544 /nfs/dbraw/zinc/52/65/44/440526544.db2.gz IZSJWLQLEFJVEP-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CCN1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000665761578 440526550 /nfs/dbraw/zinc/52/65/50/440526550.db2.gz IZSJWLQLEFJVEP-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000638227148 440481499 /nfs/dbraw/zinc/48/14/99/440481499.db2.gz OBLJGRYNYHCWNS-BBWFWOEESA-N 1 3 332.448 0.035 20 0 ECADHO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000638227148 440481504 /nfs/dbraw/zinc/48/15/04/440481504.db2.gz OBLJGRYNYHCWNS-BBWFWOEESA-N 1 3 332.448 0.035 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000633676131 440539647 /nfs/dbraw/zinc/53/96/47/440539647.db2.gz LQAQCBUHLNYXGT-WCVJEAGWSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000633676131 440539649 /nfs/dbraw/zinc/53/96/49/440539649.db2.gz LQAQCBUHLNYXGT-WCVJEAGWSA-N 1 3 336.480 0.433 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000638727715 440608677 /nfs/dbraw/zinc/60/86/77/440608677.db2.gz JGUHBHQYWFEAAG-YJBOKZPZSA-N 1 3 337.464 0.326 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000634122023 440608938 /nfs/dbraw/zinc/60/89/38/440608938.db2.gz OMMDAXXUYJUPGL-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000660304739 440631722 /nfs/dbraw/zinc/63/17/22/440631722.db2.gz GUUAPCOUYOTDRA-LSDHHAIUSA-N 1 3 340.468 0.607 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000660304739 440631727 /nfs/dbraw/zinc/63/17/27/440631727.db2.gz GUUAPCOUYOTDRA-LSDHHAIUSA-N 1 3 340.468 0.607 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC000650399995 440635384 /nfs/dbraw/zinc/63/53/84/440635384.db2.gz IXLSGRBUYMUITN-GEEKYZPCSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000650399995 440635392 /nfs/dbraw/zinc/63/53/92/440635392.db2.gz IXLSGRBUYMUITN-GEEKYZPCSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC000650399995 440635398 /nfs/dbraw/zinc/63/53/98/440635398.db2.gz IXLSGRBUYMUITN-GEEKYZPCSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000650399995 440635403 /nfs/dbraw/zinc/63/54/03/440635403.db2.gz IXLSGRBUYMUITN-GEEKYZPCSA-N 1 3 334.464 0.092 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660704758 440713734 /nfs/dbraw/zinc/71/37/34/440713734.db2.gz OYYIDODPBVWBOZ-JKSUJKDBSA-N 1 3 340.468 0.260 20 0 ECADHO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000666973968 440715252 /nfs/dbraw/zinc/71/52/52/440715252.db2.gz GQXDERNJUJXBGB-IRXDYDNUSA-N 1 3 334.464 0.895 20 0 ECADHO C[C@H](Cn1cc(Br)ccc1=O)NCCOCCC[NH3+] ZINC000629540120 440721872 /nfs/dbraw/zinc/72/18/72/440721872.db2.gz ULQAANIIKUMXMI-LLVKDONJSA-N 1 3 332.242 0.954 20 0 ECADHO CN(C)CCN1CCC(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634959261 440728873 /nfs/dbraw/zinc/72/88/73/440728873.db2.gz MAQBYQPVHXTZAB-MRXNPFEDSA-N 1 3 331.526 0.817 20 0 ECADHO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1)c1c(F)cccc1F ZINC000629565791 440730399 /nfs/dbraw/zinc/73/03/99/440730399.db2.gz XFQIJOXORHLXCM-LBPRGKRZSA-N 1 3 327.375 0.741 20 0 ECADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634997560 440732505 /nfs/dbraw/zinc/73/25/05/440732505.db2.gz NXLRDFUYMFNBNP-CSLYMUCUSA-N 1 3 330.480 0.751 20 0 ECADHO CN(CCOCC[NH3+])CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000629578941 440738543 /nfs/dbraw/zinc/73/85/43/440738543.db2.gz OBVXVWDKFGLGQG-UHFFFAOYSA-N 1 3 342.827 0.675 20 0 ECADHO CN(CCNC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1CC1 ZINC000635055908 440740766 /nfs/dbraw/zinc/74/07/66/440740766.db2.gz ZOWMQLAUFMIZAW-UHFFFAOYSA-N 1 3 348.451 0.299 20 0 ECADHO CN(C)CCN1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000651153027 440758708 /nfs/dbraw/zinc/75/87/08/440758708.db2.gz WZRUGAFNDFADGD-HNNXBMFYSA-N 1 3 339.484 0.134 20 0 ECADHO CN(C)CCN1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000651153027 440758714 /nfs/dbraw/zinc/75/87/14/440758714.db2.gz WZRUGAFNDFADGD-HNNXBMFYSA-N 1 3 339.484 0.134 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629790256 440762447 /nfs/dbraw/zinc/76/24/47/440762447.db2.gz CMCDLLDCZXQIFO-JCGIZDLHSA-N 1 3 336.480 0.245 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000645261097 440770579 /nfs/dbraw/zinc/77/05/79/440770579.db2.gz UORJFYGGZYIKBX-AWEZNQCLSA-N 1 3 339.484 0.622 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C[N@@H+]1C1CC1 ZINC000645268390 440772151 /nfs/dbraw/zinc/77/21/51/440772151.db2.gz SJKSAOUMOXFGOX-MCIONIFRSA-N 1 3 337.468 0.373 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C[N@H+]1C1CC1 ZINC000645268390 440772155 /nfs/dbraw/zinc/77/21/55/440772155.db2.gz SJKSAOUMOXFGOX-MCIONIFRSA-N 1 3 337.468 0.373 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCC[C@@H](C)C1 ZINC000656342726 440779727 /nfs/dbraw/zinc/77/97/27/440779727.db2.gz CNGBPWVEMVUZJH-FPCVCCKLSA-N 1 3 338.496 0.679 20 0 ECADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656353744 440783930 /nfs/dbraw/zinc/78/39/30/440783930.db2.gz CDWAKILZKHEETA-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656353744 440783934 /nfs/dbraw/zinc/78/39/34/440783934.db2.gz CDWAKILZKHEETA-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757836 440785009 /nfs/dbraw/zinc/78/50/09/440785009.db2.gz MCZLHYFMKZOSQK-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000645334463 440785486 /nfs/dbraw/zinc/78/54/86/440785486.db2.gz BPJZDNUKXSARMI-CYBMUJFWSA-N 1 3 325.457 0.232 20 0 ECADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757620 440787074 /nfs/dbraw/zinc/78/70/74/440787074.db2.gz JQBJPPQJLYZQMF-HUUCEWRRSA-N 1 3 336.480 0.517 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000661129126 440796073 /nfs/dbraw/zinc/79/60/73/440796073.db2.gz GDGRELKGGMWHMS-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000661129126 440796075 /nfs/dbraw/zinc/79/60/75/440796075.db2.gz GDGRELKGGMWHMS-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CN1c2ccccc2C[C@@H]([NH2+]C[C@H]2CCCN(C(=O)CN)C2)C1=O ZINC000656787181 440847001 /nfs/dbraw/zinc/84/70/01/440847001.db2.gz FWHBNOZQNXQZNC-UKRRQHHQSA-N 1 3 330.432 0.361 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1nncn1C ZINC000656540359 440817191 /nfs/dbraw/zinc/81/71/91/440817191.db2.gz GJIYHFAMYAEQMO-QWHCGFSZSA-N 1 3 325.461 0.447 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1nncn1C ZINC000656540359 440817197 /nfs/dbraw/zinc/81/71/97/440817197.db2.gz GJIYHFAMYAEQMO-QWHCGFSZSA-N 1 3 325.461 0.447 20 0 ECADHO CO[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@](C)(C[NH3+])C1 ZINC000630363195 440888681 /nfs/dbraw/zinc/88/86/81/440888681.db2.gz CHPVDMQFZNGTQB-YQVWRLOYSA-N 1 3 348.491 0.844 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)C1 ZINC000646003137 440968780 /nfs/dbraw/zinc/96/87/80/440968780.db2.gz UEOZHXRGCNKRIN-FGTMMUONSA-N 1 3 334.508 0.861 20 0 ECADHO [NH3+]C1(CC(=O)NCCCN2CCN(c3ccncc3)CC2)CCC1 ZINC000645817327 440926553 /nfs/dbraw/zinc/92/65/53/440926553.db2.gz HJQCTTHVAWIMQO-UHFFFAOYSA-N 1 3 331.464 0.981 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC[N@@H+]1C ZINC000630890629 440977028 /nfs/dbraw/zinc/97/70/28/440977028.db2.gz GLMQYBSKHPBIFH-XHSDSOJGSA-N 1 3 336.480 0.657 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC[N@H+]1C ZINC000630890629 440977031 /nfs/dbraw/zinc/97/70/31/440977031.db2.gz GLMQYBSKHPBIFH-XHSDSOJGSA-N 1 3 336.480 0.657 20 0 ECADHO NC1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CCC1 ZINC000646069121 440987396 /nfs/dbraw/zinc/98/73/96/440987396.db2.gz QAHYGOQZRVJADC-UHFFFAOYSA-N 1 3 336.480 0.709 20 0 ECADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@H]2CNCCO2)CC1 ZINC000662261778 440997137 /nfs/dbraw/zinc/99/71/37/440997137.db2.gz ARQHIBUDZLYPIC-QGZVFWFLSA-N 1 3 348.491 0.737 20 0 ECADHO C[C@H](NC[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(S(N)(=O)=O)cc1 ZINC000662281715 441001854 /nfs/dbraw/zinc/00/18/54/441001854.db2.gz LEOLNZZHFUQDHP-WCQYABFASA-N 1 3 325.434 0.506 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@H](C)C(=O)NCCN1CCCCC1)[C@@H](C)[NH3+] ZINC000646557886 441073787 /nfs/dbraw/zinc/07/37/87/441073787.db2.gz AVPWINFOHTVUAO-RBSFLKMASA-N 1 3 326.485 0.713 20 0 ECADHO COCCNCCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652212062 441032906 /nfs/dbraw/zinc/03/29/06/441032906.db2.gz UXGAHZLIZUKGKC-RRFJBIMHSA-N 1 3 328.457 0.150 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652236926 441035371 /nfs/dbraw/zinc/03/53/71/441035371.db2.gz CURZDDOWDORFJD-UHFFFAOYSA-N 1 3 325.501 0.831 20 0 ECADHO COCC[NH2+]C1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000652344773 441054186 /nfs/dbraw/zinc/05/41/86/441054186.db2.gz UCBUUVCMDFHNDZ-UHFFFAOYSA-N 1 3 338.496 0.430 20 0 ECADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000646433278 441062843 /nfs/dbraw/zinc/06/28/43/441062843.db2.gz RHMVUULVLKFQRA-BBRMVZONSA-N 1 3 332.448 0.592 20 0 ECADHO [NH3+]CCOCc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641230442 441081929 /nfs/dbraw/zinc/08/19/29/441081929.db2.gz RFYXDUHTEXICEP-KRWDZBQOSA-N 1 3 331.420 0.390 20 0 ECADHO O=C(CNC1CC1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000182294272 320529590 /nfs/dbraw/zinc/52/95/90/320529590.db2.gz HGOCJNXYMDQXLA-UHFFFAOYSA-N 1 3 336.480 0.579 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332653648 320908920 /nfs/dbraw/zinc/90/89/20/320908920.db2.gz KUXXVXYHNLSXQO-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000340201924 321020436 /nfs/dbraw/zinc/02/04/36/321020436.db2.gz ADISIPZCEIXJPY-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCSC1 ZINC000340417977 321042644 /nfs/dbraw/zinc/04/26/44/321042644.db2.gz GAVUNWNXCLACGN-CJNGLKHVSA-N 1 3 342.509 0.093 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000340423017 321043738 /nfs/dbraw/zinc/04/37/38/321043738.db2.gz KQZXMTSMLXTJOG-MRXNPFEDSA-N 1 3 342.509 0.140 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000342043657 321073245 /nfs/dbraw/zinc/07/32/45/321073245.db2.gz RXDWRPJAGANNEP-OWCLPIDISA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCN1C ZINC000347964112 321260176 /nfs/dbraw/zinc/26/01/76/321260176.db2.gz FMTWEADTVSGXKL-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000347979466 321262525 /nfs/dbraw/zinc/26/25/25/321262525.db2.gz QZXGZSWVYKCDRD-XHSDSOJGSA-N 1 3 338.496 0.966 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000349907585 321318487 /nfs/dbraw/zinc/31/84/87/321318487.db2.gz RAEREEXOZACMEF-MRXNPFEDSA-N 1 3 341.500 0.032 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC000350054534 321320604 /nfs/dbraw/zinc/32/06/04/321320604.db2.gz YIVKKJSNLHCZHU-UHFFFAOYSA-N 1 3 325.453 0.720 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CCCCC1 ZINC000550271879 322167209 /nfs/dbraw/zinc/16/72/09/322167209.db2.gz ZWRMCDOODTWPPY-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000556724728 322194147 /nfs/dbraw/zinc/19/41/47/322194147.db2.gz BACVAGGWJCGUIW-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000556724728 322194149 /nfs/dbraw/zinc/19/41/49/322194149.db2.gz BACVAGGWJCGUIW-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000557032850 322202393 /nfs/dbraw/zinc/20/23/93/322202393.db2.gz IGANNJCNIUYLHG-TZMCWYRMSA-N 1 3 348.447 0.952 20 0 ECADHO C[C@H]1C[C@H](C)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000560637430 322248138 /nfs/dbraw/zinc/24/81/38/322248138.db2.gz PXCIFRVLYLEQJZ-GJZGRUSLSA-N 1 3 326.485 0.443 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000562165696 322266566 /nfs/dbraw/zinc/26/65/66/322266566.db2.gz PILMAEPAVULJEK-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000562958138 322289770 /nfs/dbraw/zinc/28/97/70/322289770.db2.gz PRBLLTRUHQZDBR-IAGOWNOFSA-N 1 3 348.491 0.531 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000563303058 322308195 /nfs/dbraw/zinc/30/81/95/322308195.db2.gz MUYLJOLRAVKFOV-MRXNPFEDSA-N 1 3 336.480 0.661 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N(C)CCC[NH3+])c1 ZINC000563456369 322321666 /nfs/dbraw/zinc/32/16/66/322321666.db2.gz GQZSPSPSJFOYPI-UHFFFAOYSA-N 1 3 335.452 0.468 20 0 ECADHO CC1CCN(CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000563503035 322324328 /nfs/dbraw/zinc/32/43/28/322324328.db2.gz ONGVHXBQFMHHHP-UHFFFAOYSA-N 1 3 347.467 0.740 20 0 ECADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000563549503 322327836 /nfs/dbraw/zinc/32/78/36/322327836.db2.gz YVKDVZSRCIJYMH-INIZCTEOSA-N 1 3 346.475 0.615 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000563620992 322334065 /nfs/dbraw/zinc/33/40/65/322334065.db2.gz SWPDTRBHZQRMPZ-HUUCEWRRSA-N 1 3 326.485 0.727 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000563621827 322334287 /nfs/dbraw/zinc/33/42/87/322334287.db2.gz ALMJGPKONYLCKH-KGLIPLIRSA-N 1 3 346.475 0.444 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000564329492 322370062 /nfs/dbraw/zinc/37/00/62/322370062.db2.gz VDHRYNKXNCWBTG-OAHLLOKOSA-N 1 3 343.497 0.421 20 0 ECADHO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cccc2c1CCNC2 ZINC000564640854 322383607 /nfs/dbraw/zinc/38/36/07/322383607.db2.gz JXOCVNVSPJYDEJ-UHFFFAOYSA-N 1 3 339.399 0.316 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000565047696 322424192 /nfs/dbraw/zinc/42/41/92/322424192.db2.gz VYRGWAWHKGEIGE-FHWLQOOXSA-N 1 3 333.476 0.571 20 0 ECADHO O=C(NC1CCN(CCN2CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000566246337 322518485 /nfs/dbraw/zinc/51/84/85/322518485.db2.gz FGTULMIDFRAZPI-UHFFFAOYSA-N 1 3 334.439 0.925 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000567266909 322577569 /nfs/dbraw/zinc/57/75/69/322577569.db2.gz MYGLMSUJVJZTTA-ZIAGYGMSSA-N 1 3 327.473 0.308 20 0 ECADHO CCOC(=O)CC[C@H](O)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000568975484 322639093 /nfs/dbraw/zinc/63/90/93/322639093.db2.gz IEXVSWHLEPAYSB-KRWDZBQOSA-N 1 3 341.496 0.839 20 0 ECADHO CC(C)[NH+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)C ZINC000569472054 322654413 /nfs/dbraw/zinc/65/44/13/322654413.db2.gz FXHCJHIOXYWECR-ZIAGYGMSSA-N 1 3 325.457 0.059 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000571326367 322717860 /nfs/dbraw/zinc/71/78/60/322717860.db2.gz DRVYLRKCGHIHNB-KRWDZBQOSA-N 1 3 344.459 0.625 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000573106822 322756633 /nfs/dbraw/zinc/75/66/33/322756633.db2.gz XJXPJPFTENNGAG-UHFFFAOYSA-N 1 3 348.495 0.298 20 0 ECADHO CCNC(=O)C1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCC1 ZINC000574106282 322773388 /nfs/dbraw/zinc/77/33/88/322773388.db2.gz VVTLZPWMCDIUBN-UHFFFAOYSA-N 1 3 341.500 0.428 20 0 ECADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000577220608 322828845 /nfs/dbraw/zinc/82/88/45/322828845.db2.gz KQQHBHNXVRTAJQ-LZWOXQAQSA-N 1 3 327.494 0.826 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000580158798 322917291 /nfs/dbraw/zinc/91/72/91/322917291.db2.gz UPLFKUKWAQKQSA-LBPRGKRZSA-N 1 3 336.436 0.762 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248711089 545942868 /nfs/dbraw/zinc/94/28/68/545942868.db2.gz MUDLNJJGIJZICQ-BZUAXINKSA-N 1 3 337.512 0.937 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000248711089 545942874 /nfs/dbraw/zinc/94/28/74/545942874.db2.gz MUDLNJJGIJZICQ-BZUAXINKSA-N 1 3 337.512 0.937 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000342975708 546087411 /nfs/dbraw/zinc/08/74/11/546087411.db2.gz JHXVUYJZZWAACG-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(CC[C@H]1CCC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000621645888 546534252 /nfs/dbraw/zinc/53/42/52/546534252.db2.gz NMNDWCUWTQXTDF-MRXNPFEDSA-N 1 3 336.480 0.533 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC[C@H](N3CCCC3)C1)C2 ZINC000622026908 546607859 /nfs/dbraw/zinc/60/78/59/546607859.db2.gz USXKQGZAAIYPTO-VKJFTORMSA-N 1 3 334.464 0.413 20 0 ECADHO CC1CC[NH+](Cc2ccc(CNc3nc(N)nc(N)n3)cc2)CC1 ZINC000623839440 546847969 /nfs/dbraw/zinc/84/79/69/546847969.db2.gz XTVZSDXAQLHDBL-UHFFFAOYSA-N 1 3 327.436 0.963 20 0 ECADHO Cc1cc(NC(=O)N(C)CCOCC[NH3+])n(C2CCN(C)CC2)n1 ZINC000625866392 547243146 /nfs/dbraw/zinc/24/31/46/547243146.db2.gz LFJTZUJLSYYQCO-UHFFFAOYSA-N 1 3 338.456 0.897 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634643571 547382022 /nfs/dbraw/zinc/38/20/22/547382022.db2.gz DUGMZVHKTJUQRR-SJLPKXTDSA-N 1 3 341.496 0.288 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CNCCC1(F)F ZINC000644124028 547405395 /nfs/dbraw/zinc/40/53/95/547405395.db2.gz BNSFJNIDPLMTPD-NEPJUHHUSA-N 1 3 332.395 0.077 20 0 ECADHO O=C(C[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000662865729 547458885 /nfs/dbraw/zinc/45/88/85/547458885.db2.gz CZGWQOOPGOUJHO-WWGRRREGSA-N 1 3 339.386 0.905 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000664721494 547462577 /nfs/dbraw/zinc/46/25/77/547462577.db2.gz RDLCDVQVAJXDQF-UHFFFAOYSA-N 1 3 327.473 0.132 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1CN(C)C ZINC000667402343 547515499 /nfs/dbraw/zinc/51/54/99/547515499.db2.gz BTJANXPHQXIHIU-CZUORRHYSA-N 1 3 348.447 0.570 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000667404190 547516462 /nfs/dbraw/zinc/51/64/62/547516462.db2.gz FGVUVNVWRVKUOT-XJKSGUPXSA-N 1 3 348.447 0.570 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000668351482 547630780 /nfs/dbraw/zinc/63/07/80/547630780.db2.gz FUMUVJUCDGZKPA-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(CC)C1 ZINC000668548711 547683590 /nfs/dbraw/zinc/68/35/90/547683590.db2.gz OKXWJXIHQIIPPR-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(CC)C1 ZINC000668548711 547683592 /nfs/dbraw/zinc/68/35/92/547683592.db2.gz OKXWJXIHQIIPPR-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCc4nc[nH]c4C3)C2)CC1 ZINC000668640893 547710587 /nfs/dbraw/zinc/71/05/87/547710587.db2.gz YVEKYXMFWGXYIA-ZIAGYGMSSA-N 1 3 331.464 0.799 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCc4nc[nH]c4C3)C2)CC1 ZINC000668640893 547710592 /nfs/dbraw/zinc/71/05/92/547710592.db2.gz YVEKYXMFWGXYIA-ZIAGYGMSSA-N 1 3 331.464 0.799 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000668651401 547713826 /nfs/dbraw/zinc/71/38/26/547713826.db2.gz HQAKNXKOPBPBDT-OAGGEKHMSA-N 1 3 338.496 0.824 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000668651401 547713829 /nfs/dbraw/zinc/71/38/29/547713829.db2.gz HQAKNXKOPBPBDT-OAGGEKHMSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccn1 ZINC000669547135 547904729 /nfs/dbraw/zinc/90/47/29/547904729.db2.gz JVFZVVRNJYHWDS-CABCVRRESA-N 1 3 333.436 0.525 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000670545127 548030060 /nfs/dbraw/zinc/03/00/60/548030060.db2.gz CQPUOZRDNNCVDX-INIZCTEOSA-N 1 3 336.480 0.576 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000670708617 548039211 /nfs/dbraw/zinc/03/92/11/548039211.db2.gz GOSRRBBHCRBVAT-MRXNPFEDSA-N 1 3 338.496 0.969 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000671963499 548247599 /nfs/dbraw/zinc/24/75/99/548247599.db2.gz QGTLVHTTYUDFMO-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013280 548255824 /nfs/dbraw/zinc/25/58/24/548255824.db2.gz CZQNMFQDJNTFPY-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672310111 548307342 /nfs/dbraw/zinc/30/73/42/548307342.db2.gz HAYHWHQRUOBOSS-JKSUJKDBSA-N 1 3 336.480 0.576 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000672698058 548374598 /nfs/dbraw/zinc/37/45/98/548374598.db2.gz ISEZKXDMKZHZLY-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000672698058 548374601 /nfs/dbraw/zinc/37/46/01/548374601.db2.gz ISEZKXDMKZHZLY-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000672699042 548375871 /nfs/dbraw/zinc/37/58/71/548375871.db2.gz WPDIHTCJIMTENQ-SQWLQELKSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000685445055 549694070 /nfs/dbraw/zinc/69/40/70/549694070.db2.gz REJUSNHUDOLJBB-GDBMZVCRSA-N 1 3 336.480 0.742 20 0 ECADHO CCN1CCC[C@@H]1CNC(=S)NCCN1CCC([NH+](C)C)CC1 ZINC000749004695 579332323 /nfs/dbraw/zinc/33/23/23/579332323.db2.gz HAICEYLLLPEDGL-MRXNPFEDSA-N 1 3 341.569 0.961 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCN2CCOCC2)CC1 ZINC000733171069 578333496 /nfs/dbraw/zinc/33/34/96/578333496.db2.gz VDUXTLFYUUEQBY-INIZCTEOSA-N 1 3 326.485 0.099 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)CCN1CCN(C)CC1 ZINC000769759097 579151291 /nfs/dbraw/zinc/15/12/91/579151291.db2.gz DWAKMLBIWOBBRS-HOTGVXAUSA-N 1 3 341.569 0.961 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)CCN1CCN(C)CC1 ZINC000769759097 579151293 /nfs/dbraw/zinc/15/12/93/579151293.db2.gz DWAKMLBIWOBBRS-HOTGVXAUSA-N 1 3 341.569 0.961 20 0 ECADHO C[C@@H]1CN(C(=S)NCCC[NH+](C)C)CC[C@H]1N1CCN(C)CC1 ZINC000763307559 579558426 /nfs/dbraw/zinc/55/84/26/579558426.db2.gz YLWZQTMWQDQMOF-HZPDHXFCSA-N 1 3 341.569 0.770 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)N1CCCCC1 ZINC000841019267 588976156 /nfs/dbraw/zinc/97/61/56/588976156.db2.gz GELOQNBCVSJAQA-AWEZNQCLSA-N 1 3 348.447 0.953 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N1CCCCC1 ZINC000842016765 589008614 /nfs/dbraw/zinc/00/86/14/589008614.db2.gz XTJRQXPDDQZPEA-YJBOKZPZSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842053179 589009662 /nfs/dbraw/zinc/00/96/62/589009662.db2.gz KUFJXWAWIMNBHQ-QVOMUQBLSA-N 1 3 338.496 0.951 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NCCC[NH2+]C2CC2)cc1 ZINC000842225724 589022190 /nfs/dbraw/zinc/02/21/90/589022190.db2.gz YSISCVNRXQVNBG-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CCN1CCN(CCCCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891357179 586165032 /nfs/dbraw/zinc/16/50/32/586165032.db2.gz ZRQALMVKZSSXQC-IRXDYDNUSA-N 1 3 337.512 0.940 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891355907 586165281 /nfs/dbraw/zinc/16/52/81/586165281.db2.gz BQEORVKWWGQBCO-FUHWJXTLSA-N 1 3 337.512 0.988 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000891463622 586169932 /nfs/dbraw/zinc/16/99/32/586169932.db2.gz FWUANEWRVWSILL-HZPDHXFCSA-N 1 3 346.479 0.725 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000891536943 586174869 /nfs/dbraw/zinc/17/48/69/586174869.db2.gz XKFGYCLPRQTEEO-UKRRQHHQSA-N 1 3 339.484 0.498 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891577964 586178992 /nfs/dbraw/zinc/17/89/92/586178992.db2.gz VDVPNFUYHUUPDI-GJZGRUSLSA-N 1 3 340.468 0.165 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000891766700 586195590 /nfs/dbraw/zinc/19/55/90/586195590.db2.gz XKBVTLCESVZNAK-COXVUDFISA-N 1 3 332.448 0.884 20 0 ECADHO C[NH2+]CCCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000891963089 586209270 /nfs/dbraw/zinc/20/92/70/586209270.db2.gz ZGCFFRTYXYAXGS-UHFFFAOYSA-N 1 3 325.457 0.111 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892037945 586217341 /nfs/dbraw/zinc/21/73/41/586217341.db2.gz PJTUUXUOTISEFR-OAHLLOKOSA-N 1 3 325.501 0.781 20 0 ECADHO CCO[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C[NH+](C)C ZINC000896682757 586266563 /nfs/dbraw/zinc/26/65/63/586266563.db2.gz NOILXBTYWBSYQX-BZUAXINKSA-N 1 3 342.484 0.194 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000896682436 586266620 /nfs/dbraw/zinc/26/66/20/586266620.db2.gz SQIINTLMXQGXOZ-MRXNPFEDSA-N 1 3 332.448 0.813 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000892487047 586268975 /nfs/dbraw/zinc/26/89/75/586268975.db2.gz UXZQYMMQOKIWIF-KBPBESRZSA-N 1 3 326.485 0.909 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)C[C@H]2N)cn1 ZINC000892487022 586269126 /nfs/dbraw/zinc/26/91/26/586269126.db2.gz UHIGHNGFELLYEK-SOUVJXGZSA-N 1 3 334.468 0.634 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)C(=O)NCCN(C)C ZINC000892573020 586274245 /nfs/dbraw/zinc/27/42/45/586274245.db2.gz GBDIVWUZPRCJKX-IHRRRGAJSA-N 1 3 327.473 0.115 20 0 ECADHO C[N@H+](CCCO)C1CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000897235848 586289785 /nfs/dbraw/zinc/28/97/85/586289785.db2.gz XPCVJBPUXNZFBB-UHFFFAOYSA-N 1 3 339.480 0.402 20 0 ECADHO C[N@@H+](CCCO)C1CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000897235848 586289786 /nfs/dbraw/zinc/28/97/86/586289786.db2.gz XPCVJBPUXNZFBB-UHFFFAOYSA-N 1 3 339.480 0.402 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893223696 586317251 /nfs/dbraw/zinc/31/72/51/586317251.db2.gz LRVQPHPHJABRMD-CVEARBPZSA-N 1 3 342.484 0.195 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893223696 586317253 /nfs/dbraw/zinc/31/72/53/586317253.db2.gz LRVQPHPHJABRMD-CVEARBPZSA-N 1 3 342.484 0.195 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000893236896 586318154 /nfs/dbraw/zinc/31/81/54/586318154.db2.gz DUXLIYWGPCPZGW-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000893236896 586318155 /nfs/dbraw/zinc/31/81/55/586318155.db2.gz DUXLIYWGPCPZGW-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H]1CC[N@H+](CCNC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000897445976 586323938 /nfs/dbraw/zinc/32/39/38/586323938.db2.gz QGLKMMRCKIDNAB-INIZCTEOSA-N 1 3 325.501 0.607 20 0 ECADHO C[C@H]1CC[N@@H+](CCNC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000897445976 586323940 /nfs/dbraw/zinc/32/39/40/586323940.db2.gz QGLKMMRCKIDNAB-INIZCTEOSA-N 1 3 325.501 0.607 20 0 ECADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCS(=O)CC2)cc1 ZINC000893354126 586326645 /nfs/dbraw/zinc/32/66/45/586326645.db2.gz XCMNZSMOKDMNCQ-UHFFFAOYSA-N 1 3 337.489 0.979 20 0 ECADHO CN1CCN(Cc2ccc(C(=O)NCC[N@H+](C)CCO)cc2)CC1 ZINC000899732511 586501566 /nfs/dbraw/zinc/50/15/66/586501566.db2.gz ZKHDHBLWRCGHLN-UHFFFAOYSA-N 1 3 334.464 0.088 20 0 ECADHO CN1CCN(Cc2ccc(C(=O)NCC[N@@H+](C)CCO)cc2)CC1 ZINC000899732511 586501568 /nfs/dbraw/zinc/50/15/68/586501568.db2.gz ZKHDHBLWRCGHLN-UHFFFAOYSA-N 1 3 334.464 0.088 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000900725135 586659263 /nfs/dbraw/zinc/65/92/63/586659263.db2.gz HJPLRFRGHQREJT-MRXNPFEDSA-N 1 3 348.495 0.297 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000900725135 586659264 /nfs/dbraw/zinc/65/92/64/586659264.db2.gz HJPLRFRGHQREJT-MRXNPFEDSA-N 1 3 348.495 0.297 20 0 ECADHO CCCCCNC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492703 586779334 /nfs/dbraw/zinc/77/93/34/586779334.db2.gz QLNSYHOYZCKZLD-OEUWWYETSA-N 1 3 325.453 0.894 20 0 ECADHO CCN1CCC(NC(=O)CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903538637 586783603 /nfs/dbraw/zinc/78/36/03/586783603.db2.gz FRAXPNCJENBAAF-OLZOCXBDSA-N 1 3 336.402 0.798 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](N)C1 ZINC000903719650 586801061 /nfs/dbraw/zinc/80/10/61/586801061.db2.gz RRCVDNQJMKOPOY-QWRGUYRKSA-N 1 3 338.374 0.135 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@H]1N ZINC000903719845 586801597 /nfs/dbraw/zinc/80/15/97/586801597.db2.gz YHSIPXCHCGSMOE-OAHLLOKOSA-N 1 3 336.480 0.659 20 0 ECADHO COC(=O)c1cn([C@@H]2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC000903759529 586807577 /nfs/dbraw/zinc/80/75/77/586807577.db2.gz RBUJPLOQBGDFGK-WWGRRREGSA-N 1 3 335.408 0.080 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1)C(C)C ZINC000903821334 586818084 /nfs/dbraw/zinc/81/80/84/586818084.db2.gz YQKGFMAMTYIVLK-HNNXBMFYSA-N 1 3 347.463 0.575 20 0 ECADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCC(=O)N1CCN(c3ccccn3)CC1)C2 ZINC000903843250 586819969 /nfs/dbraw/zinc/81/99/69/586819969.db2.gz GPDWQHULMJKZNG-ULQDDVLXSA-N 1 3 343.475 0.932 20 0 ECADHO Cc1c(C[C@H](CN)C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cnn1C ZINC000903900119 586824501 /nfs/dbraw/zinc/82/45/01/586824501.db2.gz YRLLILQYUPHXHH-PVAVHDDUSA-N 1 3 333.480 0.837 20 0 ECADHO Cc1c(C[C@H](CN)C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cnn1C ZINC000903900119 586824503 /nfs/dbraw/zinc/82/45/03/586824503.db2.gz YRLLILQYUPHXHH-PVAVHDDUSA-N 1 3 333.480 0.837 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cnn1C ZINC000903900119 586824504 /nfs/dbraw/zinc/82/45/04/586824504.db2.gz YRLLILQYUPHXHH-PVAVHDDUSA-N 1 3 333.480 0.837 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCNC[C@H]1c1cccnc1 ZINC000903905273 586825144 /nfs/dbraw/zinc/82/51/44/586825144.db2.gz BYMPZCARNHUEEQ-WBVHZDCISA-N 1 3 327.436 0.744 20 0 ECADHO NC[C@]12CC[C@H]1CCCN2C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000904974525 586853270 /nfs/dbraw/zinc/85/32/70/586853270.db2.gz SWBBCEWYZGAIOB-FRQCXROJSA-N 1 3 348.491 0.661 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[C@@]21CN ZINC000905005784 586858594 /nfs/dbraw/zinc/85/85/94/586858594.db2.gz GFNYGFPCAJVHHT-RVKKMQEKSA-N 1 3 336.480 0.659 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[C@@]21CN ZINC000905005784 586858595 /nfs/dbraw/zinc/85/85/95/586858595.db2.gz GFNYGFPCAJVHHT-RVKKMQEKSA-N 1 3 336.480 0.659 20 0 ECADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]4CC[C@@]43CN)C2)CC1 ZINC000905008595 586859439 /nfs/dbraw/zinc/85/94/39/586859439.db2.gz NYSXADYHBVBUDW-JTDSTZFVSA-N 1 3 348.491 0.517 20 0 ECADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)C[C@@]1(O)CCOC1 ZINC000905196135 586876210 /nfs/dbraw/zinc/87/62/10/586876210.db2.gz QGJGGNXOKFBCJZ-MSOLQXFVSA-N 1 3 335.448 0.790 20 0 ECADHO CC[NH+]1CCC(n2nccc2NC(=O)C2CN(C)CCN(C)C2)CC1 ZINC000906522541 586952732 /nfs/dbraw/zinc/95/27/32/586952732.db2.gz AWAFJVJXSSPFLN-UHFFFAOYSA-N 1 3 348.495 0.972 20 0 ECADHO CC[NH+](CC)CCOc1cccc(NC(=O)C(=O)N(C)CCN)c1 ZINC000906679874 586965784 /nfs/dbraw/zinc/96/57/84/586965784.db2.gz NEVQJMXSPCRGTO-UHFFFAOYSA-N 1 3 336.436 0.763 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000907089762 587015183 /nfs/dbraw/zinc/01/51/83/587015183.db2.gz GKJVZQKTZRIROH-BRWVUGGUSA-N 1 3 338.496 0.190 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807684444 587134525 /nfs/dbraw/zinc/13/45/25/587134525.db2.gz ZPHBKGWFAIXXOX-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000844170229 589098230 /nfs/dbraw/zinc/09/82/30/589098230.db2.gz HMCJKGXTUIIDBM-HIFRSBDPSA-N 1 3 347.463 0.860 20 0 ECADHO CCNCC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000844181634 589100077 /nfs/dbraw/zinc/10/00/77/589100077.db2.gz FLCLWPMKRZNFKQ-UHFFFAOYSA-N 1 3 332.448 0.974 20 0 ECADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818987389 587463417 /nfs/dbraw/zinc/46/34/17/587463417.db2.gz XAZXLYBFCPASGE-KEYYUXOJSA-N 1 3 343.468 0.715 20 0 ECADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818987389 587463419 /nfs/dbraw/zinc/46/34/19/587463419.db2.gz XAZXLYBFCPASGE-KEYYUXOJSA-N 1 3 343.468 0.715 20 0 ECADHO NCc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000825627643 587954043 /nfs/dbraw/zinc/95/40/43/587954043.db2.gz OJEZRWFYCACVFU-RDJZCZTQSA-N 1 3 344.459 0.866 20 0 ECADHO CN(C)CCN1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1=O ZINC000848242239 589284876 /nfs/dbraw/zinc/28/48/76/589284876.db2.gz ZNGJRQACBSNJOM-UHFFFAOYSA-N 1 3 346.475 0.637 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2=NO[C@@H](CN)C2)[C@@H](C)C1 ZINC000852868958 589520246 /nfs/dbraw/zinc/52/02/46/589520246.db2.gz QRTMFVOZCBEQNA-MJBXVCDLSA-N 1 3 326.441 0.343 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C2=NO[C@@H](CN)C2)[C@@H](C)C1 ZINC000852868958 589520248 /nfs/dbraw/zinc/52/02/48/589520248.db2.gz QRTMFVOZCBEQNA-MJBXVCDLSA-N 1 3 326.441 0.343 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000852921786 589526338 /nfs/dbraw/zinc/52/63/38/589526338.db2.gz QLBOJRHFQSIBCK-QGZVFWFLSA-N 1 3 346.475 0.440 20 0 ECADHO COC(=O)N1CC(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000853876953 589562894 /nfs/dbraw/zinc/56/28/94/589562894.db2.gz IWUQEVZKRWNTRZ-LBPRGKRZSA-N 1 3 329.445 0.008 20 0 ECADHO COC(=O)N1CC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000853876953 589562896 /nfs/dbraw/zinc/56/28/96/589562896.db2.gz IWUQEVZKRWNTRZ-LBPRGKRZSA-N 1 3 329.445 0.008 20 0 ECADHO COC(=O)N1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000855345357 589627327 /nfs/dbraw/zinc/62/73/27/589627327.db2.gz QZWGKDIMMJHCKS-AWEZNQCLSA-N 1 3 342.484 0.853 20 0 ECADHO COC(=O)N1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000855345357 589627328 /nfs/dbraw/zinc/62/73/28/589627328.db2.gz QZWGKDIMMJHCKS-AWEZNQCLSA-N 1 3 342.484 0.853 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867743015 589834533 /nfs/dbraw/zinc/83/45/33/589834533.db2.gz FFULSRJOPCCACB-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000861572840 589865424 /nfs/dbraw/zinc/86/54/24/589865424.db2.gz WMJNQNGHLHGSKL-ZDUSSCGKSA-N 1 3 335.452 0.467 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868047862 589870737 /nfs/dbraw/zinc/87/07/37/589870737.db2.gz DHZCZVZZQCYHNT-IAGOWNOFSA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868047862 589870738 /nfs/dbraw/zinc/87/07/38/589870738.db2.gz DHZCZVZZQCYHNT-IAGOWNOFSA-N 1 3 337.512 0.750 20 0 ECADHO CN1CC=C(CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868232311 589882789 /nfs/dbraw/zinc/88/27/89/589882789.db2.gz HTFNYAGQYDIKAW-JKSUJKDBSA-N 1 3 328.416 0.818 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1ccccc1 ZINC000861732820 589883220 /nfs/dbraw/zinc/88/32/20/589883220.db2.gz MBBBPDQLKPKNRS-HOCLYGCPSA-N 1 3 334.464 0.991 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000861757255 589888242 /nfs/dbraw/zinc/88/82/42/589888242.db2.gz PPFDVWFBFRIDNB-CQSZACIVSA-N 1 3 332.448 0.357 20 0 ECADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000868308682 589891137 /nfs/dbraw/zinc/89/11/37/589891137.db2.gz CNNMKUBTMZPTLF-GDBMZVCRSA-N 1 3 330.432 0.945 20 0 ECADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000868308682 589891140 /nfs/dbraw/zinc/89/11/40/589891140.db2.gz CNNMKUBTMZPTLF-GDBMZVCRSA-N 1 3 330.432 0.945 20 0 ECADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868310022 589891165 /nfs/dbraw/zinc/89/11/65/589891165.db2.gz PXNCJOJLVWTIGK-HOCLYGCPSA-N 1 3 330.432 0.897 20 0 ECADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868310022 589891168 /nfs/dbraw/zinc/89/11/68/589891168.db2.gz PXNCJOJLVWTIGK-HOCLYGCPSA-N 1 3 330.432 0.897 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000868375153 589898684 /nfs/dbraw/zinc/89/86/84/589898684.db2.gz ZBMWUGWRIOHJJP-HOTGVXAUSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000868375153 589898686 /nfs/dbraw/zinc/89/86/86/589898686.db2.gz ZBMWUGWRIOHJJP-HOTGVXAUSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000868401005 589901966 /nfs/dbraw/zinc/90/19/66/589901966.db2.gz PCZREBNROUDXCQ-BBRMVZONSA-N 1 3 332.448 0.655 20 0 ECADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cn1 ZINC000861914856 589904455 /nfs/dbraw/zinc/90/44/55/589904455.db2.gz XHFGHFDZBBVXGN-SMLCLMEVSA-N 1 3 331.464 0.474 20 0 ECADHO C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2cncc([O-])c2)C[C@H]1C[NH+](C)C ZINC000870022801 589990217 /nfs/dbraw/zinc/99/02/17/589990217.db2.gz YTICSIUUYGNKTD-ILNYKDOHSA-N 1 3 332.448 0.998 20 0 ECADHO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000872188396 590100525 /nfs/dbraw/zinc/10/05/25/590100525.db2.gz VEHDDKXCLPGMET-OAHLLOKOSA-N 1 3 326.485 0.764 20 0 ECADHO O=C1COC[C@]2(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)COCCN12 ZINC000873266784 590187496 /nfs/dbraw/zinc/18/74/96/590187496.db2.gz QKBPGMAPGAXGBX-KONPQCLYSA-N 1 3 337.464 0.515 20 0 ECADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000873262047 590187590 /nfs/dbraw/zinc/18/75/90/590187590.db2.gz ISCQLGQUWQKGTB-APHBMKBZSA-N 1 3 341.477 0.479 20 0 ECADHO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1 ZINC000873262047 590187591 /nfs/dbraw/zinc/18/75/91/590187591.db2.gz ISCQLGQUWQKGTB-APHBMKBZSA-N 1 3 341.477 0.479 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875055570 590265796 /nfs/dbraw/zinc/26/57/96/590265796.db2.gz ALJJNWIKHROPDP-NVXWUHKLSA-N 1 3 337.512 0.748 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000875055570 590265798 /nfs/dbraw/zinc/26/57/98/590265798.db2.gz ALJJNWIKHROPDP-NVXWUHKLSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875061245 590266691 /nfs/dbraw/zinc/26/66/91/590266691.db2.gz YGWCHJLLWIUWNN-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875061245 590266693 /nfs/dbraw/zinc/26/66/93/590266693.db2.gz YGWCHJLLWIUWNN-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC000875203982 590281673 /nfs/dbraw/zinc/28/16/73/590281673.db2.gz LGJVTTWMRTWQFW-HNNXBMFYSA-N 1 3 326.485 0.863 20 0 ECADHO CC[N@H+](C)C[C@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000880254266 590379687 /nfs/dbraw/zinc/37/96/87/590379687.db2.gz QSBLMMYEEGKSAB-HNNXBMFYSA-N 1 3 326.485 0.105 20 0 ECADHO CC[N@@H+](C)C[C@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000880254266 590379691 /nfs/dbraw/zinc/37/96/91/590379691.db2.gz QSBLMMYEEGKSAB-HNNXBMFYSA-N 1 3 326.485 0.105 20 0 ECADHO O=C(CN1CCNCC1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000876521546 590384940 /nfs/dbraw/zinc/38/49/40/590384940.db2.gz QDDCQBBOFBEACB-CQSZACIVSA-N 1 3 346.431 0.439 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000876743862 590408388 /nfs/dbraw/zinc/40/83/88/590408388.db2.gz JMZQNNXNWWQIEK-OIISXLGYSA-N 1 3 333.432 0.544 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000876743862 590408392 /nfs/dbraw/zinc/40/83/92/590408392.db2.gz JMZQNNXNWWQIEK-OIISXLGYSA-N 1 3 333.432 0.544 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@H](N)C[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000876780102 590413832 /nfs/dbraw/zinc/41/38/32/590413832.db2.gz CXJOQEKOTQPHQR-ZWKOTPCHSA-N 1 3 347.507 0.370 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876880797 590422560 /nfs/dbraw/zinc/42/25/60/590422560.db2.gz NBAKCBRMKFUYSH-KGLIPLIRSA-N 1 3 329.416 0.325 20 0 ECADHO Cn1ncc(CN)c1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000876961488 590429702 /nfs/dbraw/zinc/42/97/02/590429702.db2.gz VMEAYMKOOZIMHH-MRXNPFEDSA-N 1 3 343.431 0.375 20 0 ECADHO Cn1ncc(CN)c1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000876961488 590429703 /nfs/dbraw/zinc/42/97/03/590429703.db2.gz VMEAYMKOOZIMHH-MRXNPFEDSA-N 1 3 343.431 0.375 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H](N)CCC(=O)OC ZINC000877132594 590439674 /nfs/dbraw/zinc/43/96/74/590439674.db2.gz IEJXWKRGVPHTSO-CQSZACIVSA-N 1 3 329.441 0.084 20 0 ECADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000877266928 590451698 /nfs/dbraw/zinc/45/16/98/590451698.db2.gz MSNVQIVNCAFQAA-KRWDZBQOSA-N 1 3 340.512 0.912 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877301448 590455854 /nfs/dbraw/zinc/45/58/54/590455854.db2.gz VHQGIFRBCNFWKH-INIZCTEOSA-N 1 3 338.496 0.953 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1=O ZINC000877393472 590463256 /nfs/dbraw/zinc/46/32/56/590463256.db2.gz YEDOMHNSKXEXOD-NNFUDEMPSA-N 1 3 348.491 0.720 20 0 ECADHO F[C@@H]1C[NH2+][C@H](CN2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000883436136 590617827 /nfs/dbraw/zinc/61/78/27/590617827.db2.gz LGLZBHUXUZPNBK-KKUMJFAQSA-N 1 3 336.459 0.699 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883639441 590637525 /nfs/dbraw/zinc/63/75/25/590637525.db2.gz PLCXDPNGBCEUDB-AWEZNQCLSA-N 1 3 345.447 0.329 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885192955 590693746 /nfs/dbraw/zinc/69/37/46/590693746.db2.gz MFSPWKRHGKDXPI-CYBMUJFWSA-N 1 3 333.436 0.362 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000885281972 590703857 /nfs/dbraw/zinc/70/38/57/590703857.db2.gz ZDGWEGNIRNSRHR-QWHCGFSZSA-N 1 3 344.406 0.044 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885291280 590705474 /nfs/dbraw/zinc/70/54/74/590705474.db2.gz KJIIFVUZBXXMIT-NWDGAFQWSA-N 1 3 346.422 0.336 20 0 ECADHO C[NH2+]CCOc1ccccc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000884208002 590776133 /nfs/dbraw/zinc/77/61/33/590776133.db2.gz MSJGRHUZVYGDSV-HUUCEWRRSA-N 1 3 333.432 0.878 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](CC(C)C)[NH2+]C)CC1 ZINC000884211251 590776875 /nfs/dbraw/zinc/77/68/75/590776875.db2.gz XXXHNAMNQTXBDQ-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884232970 590783716 /nfs/dbraw/zinc/78/37/16/590783716.db2.gz FCEONMHBUMOVNU-CZUORRHYSA-N 1 3 329.448 0.704 20 0 ECADHO COCC[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000884236962 590786751 /nfs/dbraw/zinc/78/67/51/590786751.db2.gz MLBOYFPFFIVPET-HNNXBMFYSA-N 1 3 335.452 0.914 20 0 ECADHO CN(C(=O)c1ccnc(N2CC[NH2+]CC2)c1)[C@H]1CN2CCC1CC2 ZINC000884453493 590832586 /nfs/dbraw/zinc/83/25/86/590832586.db2.gz QOGKUBVAESJVGQ-INIZCTEOSA-N 1 3 329.448 0.657 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)[NH2+]C1 ZINC000884631580 590878568 /nfs/dbraw/zinc/87/85/68/590878568.db2.gz PDTUDDCSBKWXIM-GJZGRUSLSA-N 1 3 336.480 0.481 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884720323 590908619 /nfs/dbraw/zinc/90/86/19/590908619.db2.gz KVPXJYHLEHJCKU-HUUCEWRRSA-N 1 3 347.463 0.752 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CCN1c1ccncc1 ZINC000884782961 590922638 /nfs/dbraw/zinc/92/26/38/590922638.db2.gz UXXSWJKWGNEKFY-AWEZNQCLSA-N 1 3 345.447 0.506 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CCN ZINC000884834587 590931368 /nfs/dbraw/zinc/93/13/68/590931368.db2.gz ZJGFWWJMRJNBRQ-GOEBONIOSA-N 1 3 332.448 0.288 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CCN ZINC000884834587 590931373 /nfs/dbraw/zinc/93/13/73/590931373.db2.gz ZJGFWWJMRJNBRQ-GOEBONIOSA-N 1 3 332.448 0.288 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884834881 590931767 /nfs/dbraw/zinc/93/17/67/590931767.db2.gz GPUXIBWMKGDXLD-INMHGKMJSA-N 1 3 346.475 0.676 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884834881 590931769 /nfs/dbraw/zinc/93/17/69/590931769.db2.gz GPUXIBWMKGDXLD-INMHGKMJSA-N 1 3 346.475 0.676 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000887091747 590943182 /nfs/dbraw/zinc/94/31/82/590943182.db2.gz VCMXPHGFJACKLK-LSDHHAIUSA-N 1 3 345.447 0.316 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000929929052 611369016 /nfs/dbraw/zinc/36/90/16/611369016.db2.gz IBSHGPVCRLBPOH-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000929929052 611369019 /nfs/dbraw/zinc/36/90/19/611369019.db2.gz IBSHGPVCRLBPOH-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623738 611370555 /nfs/dbraw/zinc/37/05/55/611370555.db2.gz PBKBXPBVNWGLAS-OJLVUWQFSA-N 1 3 336.480 0.371 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623738 611370560 /nfs/dbraw/zinc/37/05/60/611370560.db2.gz PBKBXPBVNWGLAS-OJLVUWQFSA-N 1 3 336.480 0.371 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](N2C(=O)N[C@H](CN(C)C)C2=O)[C@H](C)C1 ZINC000924631623 611419477 /nfs/dbraw/zinc/41/94/77/611419477.db2.gz ISEJYAXTLYIDHS-KFWWJZLASA-N 1 3 340.468 0.605 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](N2C(=O)N[C@H](CN(C)C)C2=O)[C@H](C)C1 ZINC000924631623 611419479 /nfs/dbraw/zinc/41/94/79/611419479.db2.gz ISEJYAXTLYIDHS-KFWWJZLASA-N 1 3 340.468 0.605 20 0 ECADHO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)n1 ZINC000925078214 611451870 /nfs/dbraw/zinc/45/18/70/611451870.db2.gz FPUKJAXVBXGORQ-GOEBONIOSA-N 1 3 336.484 0.664 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000925329930 611469507 /nfs/dbraw/zinc/46/95/07/611469507.db2.gz PZYKBCNLJOZMMS-ILXRZTDVSA-N 1 3 337.468 0.027 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000925329930 611469513 /nfs/dbraw/zinc/46/95/13/611469513.db2.gz PZYKBCNLJOZMMS-ILXRZTDVSA-N 1 3 337.468 0.027 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)C[C@]2(C)C1 ZINC000930958328 611489170 /nfs/dbraw/zinc/48/91/70/611489170.db2.gz VBXGCJZLPYWNRR-NNFUDEMPSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)C[C@]2(C)C1 ZINC000930958328 611489172 /nfs/dbraw/zinc/48/91/72/611489172.db2.gz VBXGCJZLPYWNRR-NNFUDEMPSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926293747 611532020 /nfs/dbraw/zinc/53/20/20/611532020.db2.gz PETMQXGOMHKKJS-GOSISDBHSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000931516451 611547582 /nfs/dbraw/zinc/54/75/82/611547582.db2.gz UBCVIAPAGPQFSC-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000931516451 611547585 /nfs/dbraw/zinc/54/75/85/611547585.db2.gz UBCVIAPAGPQFSC-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO CCO[C@@H](CNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1)C[NH+](C)C ZINC000932471597 611631952 /nfs/dbraw/zinc/63/19/52/611631952.db2.gz XMBQMUQMPKGSJV-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO CN(CCO)CCNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000924999744 608694986 /nfs/dbraw/zinc/69/49/86/608694986.db2.gz NWLXWNVGQDEMMN-GOSISDBHSA-N 1 3 333.476 0.981 20 0 ECADHO CN(CCO)CCNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000924999744 608694989 /nfs/dbraw/zinc/69/49/89/608694989.db2.gz NWLXWNVGQDEMMN-GOSISDBHSA-N 1 3 333.476 0.981 20 0 ECADHO C[NH+](C)CCOCCN[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC000926257037 608775646 /nfs/dbraw/zinc/77/56/46/608775646.db2.gz ZWYFVSXEPMGXHH-AWEZNQCLSA-N 1 3 331.457 0.790 20 0 ECADHO C[C@@H]1[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)o2)CCN1C ZINC000928440549 611687669 /nfs/dbraw/zinc/68/76/69/611687669.db2.gz NPKRHZBHTWRUSI-AAVRWANBSA-N 1 3 348.447 0.924 20 0 ECADHO C[C@@H]1[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)o2)CCN1C ZINC000928440549 611687670 /nfs/dbraw/zinc/68/76/70/611687670.db2.gz NPKRHZBHTWRUSI-AAVRWANBSA-N 1 3 348.447 0.924 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1=O ZINC000924743933 609505511 /nfs/dbraw/zinc/50/55/11/609505511.db2.gz POKGFOMWNQNQFA-HZPDHXFCSA-N 1 3 346.431 0.235 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1=O ZINC000924743933 609505514 /nfs/dbraw/zinc/50/55/14/609505514.db2.gz POKGFOMWNQNQFA-HZPDHXFCSA-N 1 3 346.431 0.235 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000938193470 609512764 /nfs/dbraw/zinc/51/27/64/609512764.db2.gz KJVJEOMRPYOOLD-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C[C@]2(C)C1 ZINC000910620967 609738935 /nfs/dbraw/zinc/73/89/35/609738935.db2.gz XAXYQAUZTQYVOC-MDZRGWNJSA-N 1 3 348.491 0.483 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C[C@]2(C)C1 ZINC000910620967 609738936 /nfs/dbraw/zinc/73/89/36/609738936.db2.gz XAXYQAUZTQYVOC-MDZRGWNJSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CCN(C)C ZINC000910829357 609767852 /nfs/dbraw/zinc/76/78/52/609767852.db2.gz BXJPYLHWKZSPIJ-CQSZACIVSA-N 1 3 333.436 0.139 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938386805 609768536 /nfs/dbraw/zinc/76/85/36/609768536.db2.gz AWIMZKAYIZJWMJ-KGLIPLIRSA-N 1 3 333.436 0.320 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000938386805 609768537 /nfs/dbraw/zinc/76/85/37/609768537.db2.gz AWIMZKAYIZJWMJ-KGLIPLIRSA-N 1 3 333.436 0.320 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@@H]1C[NH3+] ZINC000910958754 609782936 /nfs/dbraw/zinc/78/29/36/609782936.db2.gz PAVZIKQLNPCOOC-LSDHHAIUSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)N1CCCCC1 ZINC000910946211 609785074 /nfs/dbraw/zinc/78/50/74/609785074.db2.gz HUXJPWFEVMMMIN-IIDMSEBBSA-N 1 3 336.480 0.625 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)C(C)C ZINC000911027942 609791631 /nfs/dbraw/zinc/79/16/31/609791631.db2.gz FXIWXLVIXYEOIJ-HUUCEWRRSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)N(C)Cc1ccccc1 ZINC000911009462 609793986 /nfs/dbraw/zinc/79/39/86/609793986.db2.gz RJFHCWNGPNOFMG-RDJZCZTQSA-N 1 3 346.475 0.820 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911055445 609795822 /nfs/dbraw/zinc/79/58/22/609795822.db2.gz OVSYPCZXSQDHFT-RKVPGOIHSA-N 1 3 336.480 0.707 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911055718 609796092 /nfs/dbraw/zinc/79/60/92/609796092.db2.gz QOKMKZSNKQXVPX-MAUKXSAKSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911030233 609796605 /nfs/dbraw/zinc/79/66/05/609796605.db2.gz TZVDSMDGKDSFDM-XUWVNRHRSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000938498198 609834886 /nfs/dbraw/zinc/83/48/86/609834886.db2.gz FPPVHHKMIGDHBX-IHRRRGAJSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000938498198 609834889 /nfs/dbraw/zinc/83/48/89/609834889.db2.gz FPPVHHKMIGDHBX-IHRRRGAJSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[C@H]1C[NH3+] ZINC000911258815 609837978 /nfs/dbraw/zinc/83/79/78/609837978.db2.gz SBVRDANQVVKDEX-QLFBSQMISA-N 1 3 338.496 0.666 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000911357202 609855574 /nfs/dbraw/zinc/85/55/74/609855574.db2.gz FXLXHQJERIXKAR-AWEZNQCLSA-N 1 3 338.496 0.729 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000911358470 609855955 /nfs/dbraw/zinc/85/59/55/609855955.db2.gz YBMAKLOBBMSAQQ-CQSZACIVSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000911431633 609871295 /nfs/dbraw/zinc/87/12/95/609871295.db2.gz CDTIEMIFPCLBOS-HBUWYVDXSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911533671 609886749 /nfs/dbraw/zinc/88/67/49/609886749.db2.gz PHMIOTTUUUARGN-CQSZACIVSA-N 1 3 326.485 0.666 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911533670 609886910 /nfs/dbraw/zinc/88/69/10/609886910.db2.gz PHMIOTTUUUARGN-AWEZNQCLSA-N 1 3 326.485 0.666 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911515188 609888775 /nfs/dbraw/zinc/88/87/75/609888775.db2.gz AQZIUBUNCLWATP-NUEKZKHPSA-N 1 3 330.432 0.328 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911515188 609888777 /nfs/dbraw/zinc/88/87/77/609888777.db2.gz AQZIUBUNCLWATP-NUEKZKHPSA-N 1 3 330.432 0.328 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911518054 609890320 /nfs/dbraw/zinc/89/03/20/609890320.db2.gz NWUIVQRJQABJSV-IAOVAPTHSA-N 1 3 344.459 0.528 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911518054 609890321 /nfs/dbraw/zinc/89/03/21/609890321.db2.gz NWUIVQRJQABJSV-IAOVAPTHSA-N 1 3 344.459 0.528 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@@H]21 ZINC000911520287 609890999 /nfs/dbraw/zinc/89/09/99/609890999.db2.gz NGWSEFUAXGHIPE-MXASKKJJSA-N 1 3 342.443 0.280 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@@H]21 ZINC000911520287 609891000 /nfs/dbraw/zinc/89/10/00/609891000.db2.gz NGWSEFUAXGHIPE-MXASKKJJSA-N 1 3 342.443 0.280 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)o1 ZINC000911536617 609896260 /nfs/dbraw/zinc/89/62/60/609896260.db2.gz PKDRQDMQFOPPCL-NUEKZKHPSA-N 1 3 348.447 0.487 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000942798946 610626568 /nfs/dbraw/zinc/62/65/68/610626568.db2.gz QKSKYSODYNSNNI-UKRRQHHQSA-N 1 3 333.436 0.353 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000942798946 610626570 /nfs/dbraw/zinc/62/65/70/610626570.db2.gz QKSKYSODYNSNNI-UKRRQHHQSA-N 1 3 333.436 0.353 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000944298805 610815534 /nfs/dbraw/zinc/81/55/34/610815534.db2.gz OEYKCFJPQSOYCQ-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000923400276 611238043 /nfs/dbraw/zinc/23/80/43/611238043.db2.gz VGBZZJPVRMPRGM-ZACQAIPSSA-N 1 3 331.416 0.977 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H](CC[NH3+])C2)C1 ZINC000923481817 611249957 /nfs/dbraw/zinc/24/99/57/611249957.db2.gz MBVJFXJQGUQSRC-HZPDHXFCSA-N 1 3 326.485 0.130 20 0 ECADHO C[C@@H]1CN(CC(=O)NCCOc2ccc3c(c2)OCO3)CC[C@H]1C[NH3+] ZINC000923495830 611250890 /nfs/dbraw/zinc/25/08/90/611250890.db2.gz FLVKMWIOPYAAKM-KGLIPLIRSA-N 1 3 349.431 0.827 20 0 ECADHO CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)N2CCNCC2)cc1 ZINC000923571598 611264849 /nfs/dbraw/zinc/26/48/49/611264849.db2.gz RKQUIMIPNXPAGX-HNNXBMFYSA-N 1 3 326.466 0.549 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)N2CCNCC2)C1 ZINC000923588348 611270042 /nfs/dbraw/zinc/27/00/42/611270042.db2.gz DIZRYOBGJSYFHT-GASCZTMLSA-N 1 3 332.514 0.484 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)N2CCNCC2)C1 ZINC000923588348 611270044 /nfs/dbraw/zinc/27/00/44/611270044.db2.gz DIZRYOBGJSYFHT-GASCZTMLSA-N 1 3 332.514 0.484 20 0 ECADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2C[NH2+]CCCO2)cc(Cl)n1 ZINC000834860546 611304797 /nfs/dbraw/zinc/30/47/97/611304797.db2.gz BSRDDQYIUMXMFR-STQMWFEESA-N 1 3 326.828 0.928 20 0 ECADHO CN(CCCNCc1nc(Br)nn1C)CC[NH+](C)C ZINC000922274838 611344944 /nfs/dbraw/zinc/34/49/44/611344944.db2.gz MTDZYIRUZQCGPE-UHFFFAOYSA-N 1 3 333.278 0.551 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000929399107 611750783 /nfs/dbraw/zinc/75/07/83/611750783.db2.gz DPBFTXKSDHJECI-RVKKMQEKSA-N 1 3 336.480 0.245 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000929399107 611750785 /nfs/dbraw/zinc/75/07/85/611750785.db2.gz DPBFTXKSDHJECI-RVKKMQEKSA-N 1 3 336.480 0.245 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933850140 611753432 /nfs/dbraw/zinc/75/34/32/611753432.db2.gz BGWTVMBADZTRHN-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933850140 611753434 /nfs/dbraw/zinc/75/34/34/611753434.db2.gz BGWTVMBADZTRHN-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CN3CCC[C@H]3CO1)CCO2 ZINC000949095196 611852245 /nfs/dbraw/zinc/85/22/45/611852245.db2.gz AGXGNVKAMWGDRV-HOTGVXAUSA-N 1 3 337.464 0.563 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000950824193 611926581 /nfs/dbraw/zinc/92/65/81/611926581.db2.gz LCWITTKTNSNWTR-GOEBONIOSA-N 1 3 336.480 0.387 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000951413604 612214430 /nfs/dbraw/zinc/21/44/30/612214430.db2.gz NRGITXKSEVXKRC-CABCVRRESA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000951413604 612214431 /nfs/dbraw/zinc/21/44/31/612214431.db2.gz NRGITXKSEVXKRC-CABCVRRESA-N 1 3 347.463 0.710 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954497994 612332166 /nfs/dbraw/zinc/33/21/66/612332166.db2.gz AQYGRGNMWLLIIU-GJZGRUSLSA-N 1 3 336.480 0.624 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1)N(C)C ZINC000954502652 612337840 /nfs/dbraw/zinc/33/78/40/612337840.db2.gz WBTRIZRUJYJITJ-HOTGVXAUSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1)N(C)C ZINC000954502652 612337845 /nfs/dbraw/zinc/33/78/45/612337845.db2.gz WBTRIZRUJYJITJ-HOTGVXAUSA-N 1 3 338.496 0.870 20 0 ECADHO CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954652355 612494574 /nfs/dbraw/zinc/49/45/74/612494574.db2.gz MHYORVOHUVSZRQ-ZBFHGGJFSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954652355 612494582 /nfs/dbraw/zinc/49/45/82/612494582.db2.gz MHYORVOHUVSZRQ-ZBFHGGJFSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000956057823 612657726 /nfs/dbraw/zinc/65/77/26/612657726.db2.gz QRPWIOGIUZJLJK-HOTGVXAUSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954269439 612812716 /nfs/dbraw/zinc/81/27/16/612812716.db2.gz YNRCKCNDQIBQGN-MRXNPFEDSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CCC1 ZINC000954357461 612874784 /nfs/dbraw/zinc/87/47/84/612874784.db2.gz UWWZVCDTUZQALQ-MRXNPFEDSA-N 1 3 348.491 0.482 20 0 ECADHO CC[C@H](C[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001098561522 735511936 /nfs/dbraw/zinc/51/19/36/735511936.db2.gz GNCWCKOMSLTLHT-QGZVFWFLSA-N 1 3 341.496 0.793 20 0 ECADHO CC[C@H](C[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001098561522 735511937 /nfs/dbraw/zinc/51/19/37/735511937.db2.gz GNCWCKOMSLTLHT-QGZVFWFLSA-N 1 3 341.496 0.793 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001024984164 738460617 /nfs/dbraw/zinc/46/06/17/738460617.db2.gz DQQFVESXSTZKPN-GOEBONIOSA-N 1 3 334.468 0.626 20 0 ECADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025011133 738490533 /nfs/dbraw/zinc/49/05/33/738490533.db2.gz VVZIAQGPZJDNCE-OAHLLOKOSA-N 1 3 346.479 0.914 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CCc2cnn(C)c2)C1 ZINC000969699012 732058858 /nfs/dbraw/zinc/05/88/58/732058858.db2.gz HPMBYXUTVWNKCY-CKEIUWERSA-N 1 3 333.480 0.739 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CCc2cnn(C)c2)C1 ZINC000969699012 732058862 /nfs/dbraw/zinc/05/88/62/732058862.db2.gz HPMBYXUTVWNKCY-CKEIUWERSA-N 1 3 333.480 0.739 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2CN[C@H]2CCNC2=O)CC1 ZINC001025105483 738653914 /nfs/dbraw/zinc/65/39/14/738653914.db2.gz VYYAJVONZWNSEY-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2CN[C@@H]2CCNC2=O)CC1 ZINC001025105486 738656933 /nfs/dbraw/zinc/65/69/33/738656933.db2.gz VYYAJVONZWNSEY-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001167225765 733069292 /nfs/dbraw/zinc/06/92/92/733069292.db2.gz ZWNAYUQPWQOJQI-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CC(=O)NCCC1(C[NH2+]CCOCCO)CC1)CC(C)(C)C ZINC001167240781 733087105 /nfs/dbraw/zinc/08/71/05/733087105.db2.gz SOCDCGRFFILKTJ-UHFFFAOYSA-N 1 3 343.512 0.849 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCS(C)(=O)=O)CC1)N(C)C ZINC001167260956 733105049 /nfs/dbraw/zinc/10/50/49/733105049.db2.gz SCSVFAOWQWYRPZ-ZDUSSCGKSA-N 1 3 333.498 0.247 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H]2CCCN(C)C2=O)CC1)N(C)C ZINC001167260895 733105069 /nfs/dbraw/zinc/10/50/69/733105069.db2.gz OSRSSENOJZUJCP-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO Cn1cc(CN[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)cn1 ZINC000970231069 733246259 /nfs/dbraw/zinc/24/62/59/733246259.db2.gz KQHSPGDYLBMXIG-MRXNPFEDSA-N 1 3 345.451 0.183 20 0 ECADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970367225 733426996 /nfs/dbraw/zinc/42/69/96/733426996.db2.gz QCBRIGWJFFGBDG-CQSZACIVSA-N 1 3 346.475 0.664 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098540686 733856496 /nfs/dbraw/zinc/85/64/96/733856496.db2.gz VAZFSNJWWFTKTQ-INIZCTEOSA-N 1 3 341.496 0.650 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098540686 733856500 /nfs/dbraw/zinc/85/65/00/733856500.db2.gz VAZFSNJWWFTKTQ-INIZCTEOSA-N 1 3 341.496 0.650 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)C[C@@H](C)OC)CC1 ZINC001098540709 733857800 /nfs/dbraw/zinc/85/78/00/733857800.db2.gz VWGJQYALCJXATN-OAHLLOKOSA-N 1 3 329.485 0.648 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)C[C@@H](C)OC)CC1 ZINC001098540709 733857801 /nfs/dbraw/zinc/85/78/01/733857801.db2.gz VWGJQYALCJXATN-OAHLLOKOSA-N 1 3 329.485 0.648 20 0 ECADHO NC(=O)c1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000970719588 733871325 /nfs/dbraw/zinc/87/13/25/733871325.db2.gz ILKNELRCHVNJMH-MRXNPFEDSA-N 1 3 330.432 0.572 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001167385664 734113299 /nfs/dbraw/zinc/11/32/99/734113299.db2.gz NHLDZFYQHMYBOZ-HUUCEWRRSA-N 1 3 338.496 0.999 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001104348601 734516180 /nfs/dbraw/zinc/51/61/80/734516180.db2.gz KLKHKLHATWDIHC-KLHDSHLOSA-N 1 3 329.485 0.408 20 0 ECADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)C(C)C ZINC001114988435 734739615 /nfs/dbraw/zinc/73/96/15/734739615.db2.gz FJMDCKVRYZYOOX-LTIDMASMSA-N 1 3 348.495 0.691 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)cn1 ZINC001083220599 734748494 /nfs/dbraw/zinc/74/84/94/734748494.db2.gz HQDXYKQKMBRXEN-DLBZAZTESA-N 1 3 347.463 0.380 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001167480535 734821063 /nfs/dbraw/zinc/82/10/63/734821063.db2.gz KDGHLEDDICXVSC-CYBMUJFWSA-N 1 3 338.452 0.010 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000971680346 734942858 /nfs/dbraw/zinc/94/28/58/734942858.db2.gz ZOFNXNQKOWBSJF-FUHWJXTLSA-N 1 3 346.475 0.758 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000971680346 734942861 /nfs/dbraw/zinc/94/28/61/734942861.db2.gz ZOFNXNQKOWBSJF-FUHWJXTLSA-N 1 3 346.475 0.758 20 0 ECADHO CN(CC(=O)N1CC[C@H]([N@H+](C)C[C@@H]2CCc3ncnn32)C1)C1CCC1 ZINC000971688651 734949288 /nfs/dbraw/zinc/94/92/88/734949288.db2.gz ZLSFGJSOZNABLV-HOTGVXAUSA-N 1 3 346.479 0.782 20 0 ECADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H]2CCc3ncnn32)C1)C1CCC1 ZINC000971688651 734949292 /nfs/dbraw/zinc/94/92/92/734949292.db2.gz ZLSFGJSOZNABLV-HOTGVXAUSA-N 1 3 346.479 0.782 20 0 ECADHO COCCC[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562584 735576206 /nfs/dbraw/zinc/57/62/06/735576206.db2.gz ZDGXTBJNGNVZEN-UHFFFAOYSA-N 1 3 327.469 0.404 20 0 ECADHO COCCC[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562584 735576208 /nfs/dbraw/zinc/57/62/08/735576208.db2.gz ZDGXTBJNGNVZEN-UHFFFAOYSA-N 1 3 327.469 0.404 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972189150 735766457 /nfs/dbraw/zinc/76/64/57/735766457.db2.gz MEOIMGNDSOQKAT-ZIAGYGMSSA-N 1 3 334.420 0.376 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972189150 735766459 /nfs/dbraw/zinc/76/64/59/735766459.db2.gz MEOIMGNDSOQKAT-ZIAGYGMSSA-N 1 3 334.420 0.376 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001167626498 736147062 /nfs/dbraw/zinc/14/70/62/736147062.db2.gz CNGARMRQPQCTQO-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC000972424078 736170769 /nfs/dbraw/zinc/17/07/69/736170769.db2.gz YKEOMYVKRNAJGE-RRCSTGOVSA-N 1 3 345.447 0.352 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC000972424078 736170773 /nfs/dbraw/zinc/17/07/73/736170773.db2.gz YKEOMYVKRNAJGE-RRCSTGOVSA-N 1 3 345.447 0.352 20 0 ECADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCCCN2C(C)C)C1=O ZINC001167635694 736186923 /nfs/dbraw/zinc/18/69/23/736186923.db2.gz NOCGGRZWIBERID-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](CNCc2cnnn2C)C1 ZINC001087236320 736481700 /nfs/dbraw/zinc/48/17/00/736481700.db2.gz QWPHNHIZEHEZGR-OAGGEKHMSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](CNCc2cnnn2C)C1 ZINC001087236320 736481701 /nfs/dbraw/zinc/48/17/01/736481701.db2.gz QWPHNHIZEHEZGR-OAGGEKHMSA-N 1 3 348.495 0.874 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCN3CC)C2)C1=O ZINC001023131091 736526446 /nfs/dbraw/zinc/52/64/46/736526446.db2.gz USOBDYSIDPIZAW-QKPAOTATSA-N 1 3 336.480 0.718 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN([C@@H]3CCCNC3=O)C2)CC1 ZINC001023569719 737022931 /nfs/dbraw/zinc/02/29/31/737022931.db2.gz QJGXGFBNQRKSMK-GOEBONIOSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001067462572 737305028 /nfs/dbraw/zinc/30/50/28/737305028.db2.gz MKTGFIFCPKJUOZ-CVEARBPZSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001067462572 737305029 /nfs/dbraw/zinc/30/50/29/737305029.db2.gz MKTGFIFCPKJUOZ-CVEARBPZSA-N 1 3 338.496 0.587 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001023890233 737464966 /nfs/dbraw/zinc/46/49/66/737464966.db2.gz WHNBRLXJPSPELI-GDBMZVCRSA-N 1 3 347.463 0.908 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972733086 737567380 /nfs/dbraw/zinc/56/73/80/737567380.db2.gz OUNVFHBWARSNKC-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972733086 737567385 /nfs/dbraw/zinc/56/73/85/737567385.db2.gz OUNVFHBWARSNKC-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001024017181 737620457 /nfs/dbraw/zinc/62/04/57/737620457.db2.gz BHXJWLFCJZJIMP-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001024017556 737621365 /nfs/dbraw/zinc/62/13/65/737621365.db2.gz FXYAQFPHZXFNNT-XJKSGUPXSA-N 1 3 334.468 0.484 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001024017585 737621538 /nfs/dbraw/zinc/62/15/38/737621538.db2.gz GSKQFEBHMZGYBR-WMLDXEAASA-N 1 3 348.495 0.966 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC001024238790 737845729 /nfs/dbraw/zinc/84/57/29/737845729.db2.gz PXWGAAJXWIEFIZ-AWEZNQCLSA-N 1 3 332.452 0.537 20 0 ECADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100680737 738075008 /nfs/dbraw/zinc/07/50/08/738075008.db2.gz CCUQLBHOFLYALS-UHFFFAOYSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(N)=O ZINC001104682352 739473523 /nfs/dbraw/zinc/47/35/23/739473523.db2.gz NFHKNRQRGVKMKT-QLFBSQMISA-N 1 3 340.512 0.912 20 0 ECADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683578 739479841 /nfs/dbraw/zinc/47/98/41/739479841.db2.gz MJUGTZHKLJQODY-HUUCEWRRSA-N 1 3 338.496 0.539 20 0 ECADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)NC1CC1 ZINC001104732141 739574401 /nfs/dbraw/zinc/57/44/01/739574401.db2.gz PUXVCZKIZZZNCC-HZSPNIEDSA-N 1 3 347.463 0.694 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001026045530 740332977 /nfs/dbraw/zinc/33/29/77/740332977.db2.gz FAZQRBAMICAHBH-PJGLDBICSA-N 1 3 334.489 0.930 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001026045530 740332981 /nfs/dbraw/zinc/33/29/81/740332981.db2.gz FAZQRBAMICAHBH-PJGLDBICSA-N 1 3 334.489 0.930 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001026140088 740410226 /nfs/dbraw/zinc/41/02/26/740410226.db2.gz HFNVBHZNLYGPDG-DMRKSPOLSA-N 1 3 346.479 0.445 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104810040 740543713 /nfs/dbraw/zinc/54/37/13/740543713.db2.gz XIGUIJSUVLFLRD-HUUCEWRRSA-N 1 3 326.485 0.539 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(=O)N3CCC3)[C@H]2C1)C1CCC1 ZINC001026283175 740741426 /nfs/dbraw/zinc/74/14/26/740741426.db2.gz DAROJNNAXNVYGC-XIRDDKMYSA-N 1 3 348.491 0.530 20 0 ECADHO Cc1nccnc1CNCC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167737238 740874474 /nfs/dbraw/zinc/87/44/74/740874474.db2.gz PHNQPXYPQUVSMO-UHFFFAOYSA-N 1 3 349.479 0.739 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000974163260 741044532 /nfs/dbraw/zinc/04/45/32/741044532.db2.gz MPUSGUFPTSIRMU-ZNMIVQPWSA-N 1 3 345.447 0.366 20 0 ECADHO O=C(C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21)N1CCC1 ZINC001026365615 741064023 /nfs/dbraw/zinc/06/40/23/741064023.db2.gz YRFOFUCWPWLIRV-AEGPPILISA-N 1 3 331.420 0.011 20 0 ECADHO Cn1nccc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001026365335 741066175 /nfs/dbraw/zinc/06/61/75/741066175.db2.gz VGTPXJRILLWEFC-APHBMKBZSA-N 1 3 328.420 0.713 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@@H]([NH2+]CCn3cncn3)[C@@H]2C1 ZINC001026366220 741069173 /nfs/dbraw/zinc/06/91/73/741069173.db2.gz IBZZUEQZWZQZCX-NWANDNLSSA-N 1 3 329.408 0.071 20 0 ECADHO Cn1ncnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]12 ZINC001026399898 741231661 /nfs/dbraw/zinc/23/16/61/741231661.db2.gz AGCNPYKPKSCBKA-RBSFLKMASA-N 1 3 344.463 0.238 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000974324169 741314508 /nfs/dbraw/zinc/31/45/08/741314508.db2.gz KSGFBEMWVWPVGF-XUWVNRHRSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000974324169 741314511 /nfs/dbraw/zinc/31/45/11/741314511.db2.gz KSGFBEMWVWPVGF-XUWVNRHRSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)c1 ZINC001026427511 741355945 /nfs/dbraw/zinc/35/59/45/741355945.db2.gz OZNGVGFKYFPUFW-YESZJQIVSA-N 1 3 344.459 0.674 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242827 741543555 /nfs/dbraw/zinc/54/35/55/741543555.db2.gz KHUSLKJPNSESPE-KRWDZBQOSA-N 1 3 346.479 0.893 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326836 741808345 /nfs/dbraw/zinc/80/83/45/741808345.db2.gz IWDORUCLZBKZFR-BBRMVZONSA-N 1 3 334.468 0.749 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326836 741808350 /nfs/dbraw/zinc/80/83/50/741808350.db2.gz IWDORUCLZBKZFR-BBRMVZONSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327282 741813763 /nfs/dbraw/zinc/81/37/63/741813763.db2.gz ZHKOQBQXSXSQGM-BBRMVZONSA-N 1 3 334.468 0.605 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327282 741813770 /nfs/dbraw/zinc/81/37/70/741813770.db2.gz ZHKOQBQXSXSQGM-BBRMVZONSA-N 1 3 334.468 0.605 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001026848029 741956650 /nfs/dbraw/zinc/95/66/50/741956650.db2.gz RYDBQXXXUDXGPQ-BBRMVZONSA-N 1 3 348.447 0.963 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)n1 ZINC001027064201 742433126 /nfs/dbraw/zinc/43/31/26/742433126.db2.gz ZDPADCNHYJKTFC-HUUCEWRRSA-N 1 3 347.463 0.908 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)nn1 ZINC001027064758 742434762 /nfs/dbraw/zinc/43/47/62/742434762.db2.gz KBZQYXSXHRHCIE-LSDHHAIUSA-N 1 3 347.463 0.765 20 0 ECADHO CCn1c(C)nnc1CNC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001027065098 742435297 /nfs/dbraw/zinc/43/52/97/742435297.db2.gz QYECJRGNXLWBFM-ZBFHGGJFSA-N 1 3 348.495 0.886 20 0 ECADHO CCn1c(C)nnc1CNC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001027065098 742435301 /nfs/dbraw/zinc/43/53/01/742435301.db2.gz QYECJRGNXLWBFM-ZBFHGGJFSA-N 1 3 348.495 0.886 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)on1 ZINC001027065192 742436055 /nfs/dbraw/zinc/43/60/55/742436055.db2.gz SIQLPDZLFFCKLK-ZIAGYGMSSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)on1 ZINC001027065192 742436057 /nfs/dbraw/zinc/43/60/57/742436057.db2.gz SIQLPDZLFFCKLK-ZIAGYGMSSA-N 1 3 336.436 0.963 20 0 ECADHO Cn1ccc(CNC[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001027146028 742763471 /nfs/dbraw/zinc/76/34/71/742763471.db2.gz DSSSSKFHYABQGN-OAHLLOKOSA-N 1 3 349.479 0.469 20 0 ECADHO CCn1ccnc1CNC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027172968 743004037 /nfs/dbraw/zinc/00/40/37/743004037.db2.gz IURCCXUAZNQJLO-HNNXBMFYSA-N 1 3 331.464 0.937 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997011509 743127570 /nfs/dbraw/zinc/12/75/70/743127570.db2.gz VZKAUFGMWAVMQM-BBRMVZONSA-N 1 3 347.463 0.764 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997011509 743127574 /nfs/dbraw/zinc/12/75/74/743127574.db2.gz VZKAUFGMWAVMQM-BBRMVZONSA-N 1 3 347.463 0.764 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027215935 743189433 /nfs/dbraw/zinc/18/94/33/743189433.db2.gz OYIKZWHVHTUNMV-KBPBESRZSA-N 1 3 333.436 0.375 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027215935 743189438 /nfs/dbraw/zinc/18/94/38/743189438.db2.gz OYIKZWHVHTUNMV-KBPBESRZSA-N 1 3 333.436 0.375 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001027216599 743191953 /nfs/dbraw/zinc/19/19/53/743191953.db2.gz BOQHPJCNANPQQI-CABCVRRESA-N 1 3 332.452 0.299 20 0 ECADHO COc1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)n1 ZINC001027217937 743195819 /nfs/dbraw/zinc/19/58/19/743195819.db2.gz TYLYFSJJWDGFTH-HNNXBMFYSA-N 1 3 347.463 0.828 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000997236468 743387533 /nfs/dbraw/zinc/38/75/33/743387533.db2.gz RLZUGNHIMMTLIL-UKRRQHHQSA-N 1 3 347.463 0.708 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300468 743463657 /nfs/dbraw/zinc/46/36/57/743463657.db2.gz VLOXUUUTXYXBQM-ZDUSSCGKSA-N 1 3 333.436 0.518 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300468 743463661 /nfs/dbraw/zinc/46/36/61/743463661.db2.gz VLOXUUUTXYXBQM-ZDUSSCGKSA-N 1 3 333.436 0.518 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC000997392269 743564931 /nfs/dbraw/zinc/56/49/31/743564931.db2.gz IIXVDGDEKPOQIM-HIFRSBDPSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC000997392269 743564935 /nfs/dbraw/zinc/56/49/35/743564935.db2.gz IIXVDGDEKPOQIM-HIFRSBDPSA-N 1 3 336.480 0.386 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)c(=O)c2)CC1 ZINC000997605998 743705683 /nfs/dbraw/zinc/70/56/83/743705683.db2.gz IXASCPYOAMMUDL-KRWDZBQOSA-N 1 3 346.475 0.808 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000997611741 743708054 /nfs/dbraw/zinc/70/80/54/743708054.db2.gz GOPNGIVCXVVCFP-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001020591006 751857290 /nfs/dbraw/zinc/85/72/90/751857290.db2.gz ATMXYKSKZNOLFR-SHTZXODSSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)C1(C(=O)N2CCC(C[NH2+][C@H]3CCCNC3=O)CC2)CCC1 ZINC000997823356 743837746 /nfs/dbraw/zinc/83/77/46/743837746.db2.gz MMEUJJFYMZQRBS-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000998081292 743966612 /nfs/dbraw/zinc/96/66/12/743966612.db2.gz INKOFDFXWHIOSE-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976509642 744039387 /nfs/dbraw/zinc/03/93/87/744039387.db2.gz UJJKNUUOYXCBPY-UIBIWLFHSA-N 1 3 348.491 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976509642 744039392 /nfs/dbraw/zinc/03/93/92/744039392.db2.gz UJJKNUUOYXCBPY-UIBIWLFHSA-N 1 3 348.491 0.528 20 0 ECADHO CCN1CC[C@H]([NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000998270686 744090080 /nfs/dbraw/zinc/09/00/80/744090080.db2.gz XZAHCEYXWOQSBN-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]21 ZINC000976656266 744170253 /nfs/dbraw/zinc/17/02/53/744170253.db2.gz IOCOYOMRDFWSHG-DMRKSPOLSA-N 1 3 348.491 0.528 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]21 ZINC000976656266 744170255 /nfs/dbraw/zinc/17/02/55/744170255.db2.gz IOCOYOMRDFWSHG-DMRKSPOLSA-N 1 3 348.491 0.528 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976666950 744200568 /nfs/dbraw/zinc/20/05/68/744200568.db2.gz NXPJTNCLAXSLGI-HPFXQQBRSA-N 1 3 348.491 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976666950 744200571 /nfs/dbraw/zinc/20/05/71/744200571.db2.gz NXPJTNCLAXSLGI-HPFXQQBRSA-N 1 3 348.491 0.530 20 0 ECADHO COc1coc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)cc1=O ZINC000998535078 744214156 /nfs/dbraw/zinc/21/41/56/744214156.db2.gz KCPILQPISVJGPH-PIMMBPRGSA-N 1 3 349.431 0.822 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC000998931852 744411802 /nfs/dbraw/zinc/41/18/02/744411802.db2.gz SAKYVLCVSXSEFF-MRXNPFEDSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC(NCc2cnnn2C)C1 ZINC000999167479 744545038 /nfs/dbraw/zinc/54/50/38/744545038.db2.gz FFRNFKLRIAPZIT-DQPZFDDXSA-N 1 3 346.479 0.769 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3n[nH]c(C)n3)C2)CC[N@@H+]1C ZINC000999206138 744566026 /nfs/dbraw/zinc/56/60/26/744566026.db2.gz IANFNFNECUBAAU-SOUVJXGZSA-N 1 3 334.468 0.924 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3n[nH]c(C)n3)C2)CC[N@H+]1C ZINC000999206138 744566029 /nfs/dbraw/zinc/56/60/29/744566029.db2.gz IANFNFNECUBAAU-SOUVJXGZSA-N 1 3 334.468 0.924 20 0 ECADHO O=C(N1CCC[C@H](N[C@H]2CCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC000999491741 744720280 /nfs/dbraw/zinc/72/02/80/744720280.db2.gz XALZKRBZANDBEL-GJZGRUSLSA-N 1 3 334.464 0.332 20 0 ECADHO CN1CC[C@H](N[C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000999597926 744782446 /nfs/dbraw/zinc/78/24/46/744782446.db2.gz SBVMYIOSGPDKTO-CABCVRRESA-N 1 3 334.464 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749111804 /nfs/dbraw/zinc/11/18/04/749111804.db2.gz VPNONZDZEJPNTG-MSOLQXFVSA-N 1 3 345.491 0.885 20 0 ECADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCCN2CCO)CC1 ZINC001027887952 749136109 /nfs/dbraw/zinc/13/61/09/749136109.db2.gz AZFKJAIWIRRXEH-ZACQAIPSSA-N 1 3 339.480 0.306 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(N(C)CC(N)=O)CC1)[NH+]1CCCCC1 ZINC000985805513 749144289 /nfs/dbraw/zinc/14/42/89/749144289.db2.gz ZOVXDDCMYGHQFN-KRWDZBQOSA-N 1 3 338.496 0.905 20 0 ECADHO Cc1nc(CN[C@@H]2CCCCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001088424680 749162627 /nfs/dbraw/zinc/16/26/27/749162627.db2.gz CUUGMXPUQGOGNZ-LSDHHAIUSA-N 1 3 334.468 0.926 20 0 ECADHO Cc1nc(CN[C@@H]2CCCCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001088424680 749162629 /nfs/dbraw/zinc/16/26/29/749162629.db2.gz CUUGMXPUQGOGNZ-LSDHHAIUSA-N 1 3 334.468 0.926 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC001004054579 749164951 /nfs/dbraw/zinc/16/49/51/749164951.db2.gz YDSSANNSELUYIZ-AWEZNQCLSA-N 1 3 347.463 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/nfs/dbraw/zinc/51/48/36/749514836.db2.gz GOUJJGVNWGLOJM-DLBZAZTESA-N 1 3 339.480 0.593 20 0 ECADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001005070440 750200517 /nfs/dbraw/zinc/20/05/17/750200517.db2.gz TVRCUMLRDSKXRP-DZGCQCFKSA-N 1 3 345.447 0.401 20 0 ECADHO C[C@@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987126707 750512215 /nfs/dbraw/zinc/51/22/15/750512215.db2.gz WMPCKKAWTUHZSS-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059790239 750674694 /nfs/dbraw/zinc/67/46/94/750674694.db2.gz NOKVTHDMTSSLEI-HOTGVXAUSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001059790239 750674697 /nfs/dbraw/zinc/67/46/97/750674697.db2.gz NOKVTHDMTSSLEI-HOTGVXAUSA-N 1 3 338.496 0.633 20 0 ECADHO Cn1cc(CN[C@@H]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000981461766 750717579 /nfs/dbraw/zinc/71/75/79/750717579.db2.gz KXDAWOFIIJLMRS-ZIAGYGMSSA-N 1 3 332.452 0.428 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987359443 750754057 /nfs/dbraw/zinc/75/40/57/750754057.db2.gz OMHXSKKUPQUUKA-HUUCEWRRSA-N 1 3 346.479 0.781 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000981541410 750791548 /nfs/dbraw/zinc/79/15/48/750791548.db2.gz KMJXMQKIALDTBZ-LSDHHAIUSA-N 1 3 332.448 0.864 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005994216 750899697 /nfs/dbraw/zinc/89/96/97/750899697.db2.gz BPYCVXIPZAXELE-GOEBONIOSA-N 1 3 334.468 0.399 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005994216 750899706 /nfs/dbraw/zinc/89/97/06/750899706.db2.gz BPYCVXIPZAXELE-GOEBONIOSA-N 1 3 334.468 0.399 20 0 ECADHO COc1coc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cc1=O ZINC000987532395 750945706 /nfs/dbraw/zinc/94/57/06/750945706.db2.gz PSZGWYXSGRZRKR-UKRRQHHQSA-N 1 3 349.431 0.823 20 0 ECADHO C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006135479 751059711 /nfs/dbraw/zinc/05/97/11/751059711.db2.gz CFXRGZTTZZNDHG-WBMJQRKESA-N 1 3 345.447 0.257 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCCN(C[C@@H](O)Cn3cccn3)CC2)CC1 ZINC000981868534 751222298 /nfs/dbraw/zinc/22/22/98/751222298.db2.gz ZFPXGNHLRFHKQY-QGZVFWFLSA-N 1 3 349.479 0.120 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001020927241 752347769 /nfs/dbraw/zinc/34/77/69/752347769.db2.gz JQMPGXHKKDFXQJ-FVQBIDKESA-N 1 3 347.463 0.872 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001020927241 752347777 /nfs/dbraw/zinc/34/77/77/752347777.db2.gz JQMPGXHKKDFXQJ-FVQBIDKESA-N 1 3 347.463 0.872 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001021048244 752478262 /nfs/dbraw/zinc/47/82/62/752478262.db2.gz WISMHCWXWQMXOD-QEJZJMRPSA-N 1 3 333.436 0.482 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001021048244 752478269 /nfs/dbraw/zinc/47/82/69/752478269.db2.gz WISMHCWXWQMXOD-QEJZJMRPSA-N 1 3 333.436 0.482 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000982546189 752857002 /nfs/dbraw/zinc/85/70/02/752857002.db2.gz LMNOTOHJOMZQSB-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)n1 ZINC000988968007 753090086 /nfs/dbraw/zinc/09/00/86/753090086.db2.gz QSSLBQCXNVUZMS-CJNGLKHVSA-N 1 3 348.495 0.958 20 0 ECADHO CCCCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372356 753674409 /nfs/dbraw/zinc/67/44/09/753674409.db2.gz BIBPDWVIHNGIMC-AWEZNQCLSA-N 1 3 334.468 0.893 20 0 ECADHO CCCCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372356 753674410 /nfs/dbraw/zinc/67/44/10/753674410.db2.gz BIBPDWVIHNGIMC-AWEZNQCLSA-N 1 3 334.468 0.893 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624772 753971144 /nfs/dbraw/zinc/97/11/44/753971144.db2.gz GMTKRBRMNKZDNG-GJZGRUSLSA-N 1 3 336.480 0.564 20 0 ECADHO CN1CCC[C@@H](N2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028659091 754379893 /nfs/dbraw/zinc/37/98/93/754379893.db2.gz OAYNYCXESZSUFH-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CNC(=O)C[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168320722 754512381 /nfs/dbraw/zinc/51/23/81/754512381.db2.gz MJZUFQKMEWQKCM-UHFFFAOYSA-N 1 3 346.475 0.984 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC001009083098 754521621 /nfs/dbraw/zinc/52/16/21/754521621.db2.gz LNWMJFVKAMBRRH-YHUYYLMFSA-N 1 3 348.491 0.243 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC001009083098 754521627 /nfs/dbraw/zinc/52/16/27/754521627.db2.gz LNWMJFVKAMBRRH-YHUYYLMFSA-N 1 3 348.491 0.243 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001168346253 754770124 /nfs/dbraw/zinc/77/01/24/754770124.db2.gz YUAJFMJFVIKHTG-CYBMUJFWSA-N 1 3 338.452 0.008 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000990276373 754931698 /nfs/dbraw/zinc/93/16/98/754931698.db2.gz IIQKSIXMOMBXLH-INIZCTEOSA-N 1 3 334.468 0.570 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051615958 762481718 /nfs/dbraw/zinc/48/17/18/762481718.db2.gz FFJKOPIWQNVPJU-DLBZAZTESA-N 1 3 347.463 0.079 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001076658272 756798088 /nfs/dbraw/zinc/79/80/88/756798088.db2.gz PBUCKTKVQVTLRH-IMJJTQAJSA-N 1 3 338.496 0.679 20 0 ECADHO O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1C[C@H]2CN(C/C=C\Cl)C[C@H]2C1 ZINC001048834118 757140951 /nfs/dbraw/zinc/14/09/51/757140951.db2.gz ZSACJUYTYTVXBC-JYUKUVRYSA-N 1 3 339.867 0.992 20 0 ECADHO O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1C[C@H]2CN(C/C=C\Cl)C[C@H]2C1 ZINC001048834118 757140954 /nfs/dbraw/zinc/14/09/54/757140954.db2.gz ZSACJUYTYTVXBC-JYUKUVRYSA-N 1 3 339.867 0.992 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001011197570 757175866 /nfs/dbraw/zinc/17/58/66/757175866.db2.gz PEYKXNJFJFXKSE-HZPDHXFCSA-N 1 3 345.447 0.640 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001011197570 757175875 /nfs/dbraw/zinc/17/58/75/757175875.db2.gz PEYKXNJFJFXKSE-HZPDHXFCSA-N 1 3 345.447 0.640 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001048863641 757218218 /nfs/dbraw/zinc/21/82/18/757218218.db2.gz JSOARGMMQCGNJB-FAYQHZLMSA-N 1 3 348.491 0.384 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1)C1CCC1 ZINC001048865116 757223392 /nfs/dbraw/zinc/22/33/92/757223392.db2.gz UQODOUOVEMPKGE-IYBDPMFKSA-N 1 3 331.464 0.758 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1)C1CCC1 ZINC001048865116 757223393 /nfs/dbraw/zinc/22/33/93/757223393.db2.gz UQODOUOVEMPKGE-IYBDPMFKSA-N 1 3 331.464 0.758 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001048872870 757248677 /nfs/dbraw/zinc/24/86/77/757248677.db2.gz IVUHTVFBEUJJEQ-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001048872870 757248686 /nfs/dbraw/zinc/24/86/86/757248686.db2.gz IVUHTVFBEUJJEQ-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)cc1 ZINC000996300041 757309410 /nfs/dbraw/zinc/30/94/10/757309410.db2.gz IYPPYVIQQNHTKR-MRXNPFEDSA-N 1 3 346.475 0.716 20 0 ECADHO CN(C)C1(C(=O)N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CCC1 ZINC001011262446 757324107 /nfs/dbraw/zinc/32/41/07/757324107.db2.gz HSCOCTWYAQKTKF-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)C1(C(=O)N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CCC1 ZINC001011262856 757325741 /nfs/dbraw/zinc/32/57/41/757325741.db2.gz UWJLOPGOBYFNAS-UHFFFAOYSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C)C1(C(=O)N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CCC1 ZINC001011262952 757325825 /nfs/dbraw/zinc/32/58/25/757325825.db2.gz ZCPCGFYSVYNKHC-OAHLLOKOSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001011264537 757334462 /nfs/dbraw/zinc/33/44/62/757334462.db2.gz IGPRGNIFUMMLTH-PBHICJAKSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001011264537 757334469 /nfs/dbraw/zinc/33/44/69/757334469.db2.gz IGPRGNIFUMMLTH-PBHICJAKSA-N 1 3 336.480 0.482 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996313560 757343967 /nfs/dbraw/zinc/34/39/67/757343967.db2.gz FNTYYSUYHYZPHM-QGZVFWFLSA-N 1 3 334.464 0.284 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001048943710 757479955 /nfs/dbraw/zinc/47/99/55/757479955.db2.gz FDSICFSRMHIAHC-XFHVWQCUSA-N 1 3 331.460 0.650 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001048943710 757479962 /nfs/dbraw/zinc/47/99/62/757479962.db2.gz FDSICFSRMHIAHC-XFHVWQCUSA-N 1 3 331.460 0.650 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000996430123 757659297 /nfs/dbraw/zinc/65/92/97/757659297.db2.gz NKAHUHJCRXWDRQ-WFASDCNBSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)COCC[NH+](C)C ZINC001076950996 757712921 /nfs/dbraw/zinc/71/29/21/757712921.db2.gz PVPDZSIXXIHVEG-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@H]3C2)C1=O ZINC001049056992 757804689 /nfs/dbraw/zinc/80/46/89/757804689.db2.gz HDMHUOQVCGBERX-NCOADZHNSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@H]3C2)C1=O ZINC001049056992 757804706 /nfs/dbraw/zinc/80/47/06/757804706.db2.gz HDMHUOQVCGBERX-NCOADZHNSA-N 1 3 348.491 0.482 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C)[NH+](C)C ZINC001076974375 757816232 /nfs/dbraw/zinc/81/62/32/757816232.db2.gz RTRILSVNJYHWKF-CWRNSKLLSA-N 1 3 340.512 0.924 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2ccnn2C)C1 ZINC001051647932 762579319 /nfs/dbraw/zinc/57/93/19/762579319.db2.gz YJQDQCKNPSOTFO-DLBZAZTESA-N 1 3 349.479 0.612 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2ccnn2C)C1 ZINC001051647932 762579327 /nfs/dbraw/zinc/57/93/27/762579327.db2.gz YJQDQCKNPSOTFO-DLBZAZTESA-N 1 3 349.479 0.612 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2C1 ZINC001049082441 757911886 /nfs/dbraw/zinc/91/18/86/757911886.db2.gz HNKJAZYNJJXVAH-GASCZTMLSA-N 1 3 345.447 0.355 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2C1 ZINC001049082441 757911892 /nfs/dbraw/zinc/91/18/92/757911892.db2.gz HNKJAZYNJJXVAH-GASCZTMLSA-N 1 3 345.447 0.355 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H](NCC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996519002 757927818 /nfs/dbraw/zinc/92/78/18/757927818.db2.gz MCBCJEICZHWZBE-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H](NCC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996519002 757927823 /nfs/dbraw/zinc/92/78/23/757927823.db2.gz MCBCJEICZHWZBE-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001051653848 762598538 /nfs/dbraw/zinc/59/85/38/762598538.db2.gz ANTBIRUIMAXFQE-OAHLLOKOSA-N 1 3 335.452 0.221 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001011657125 758222253 /nfs/dbraw/zinc/22/22/53/758222253.db2.gz NVLULXSWSKCKHO-HNNXBMFYSA-N 1 3 334.464 0.237 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001011657965 758225213 /nfs/dbraw/zinc/22/52/13/758225213.db2.gz MQZJLUPODFJONU-HNNXBMFYSA-N 1 3 334.464 0.095 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001022118894 758297903 /nfs/dbraw/zinc/29/79/03/758297903.db2.gz ACHHXUKUYPNTRQ-HDEZJCGLSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001022118894 758297911 /nfs/dbraw/zinc/29/79/11/758297911.db2.gz ACHHXUKUYPNTRQ-HDEZJCGLSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022120121 758303148 /nfs/dbraw/zinc/30/31/48/758303148.db2.gz KVUGQIJIXPHMOQ-DLTWYDFYSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022120121 758303160 /nfs/dbraw/zinc/30/31/60/758303160.db2.gz KVUGQIJIXPHMOQ-DLTWYDFYSA-N 1 3 348.447 0.891 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001051661525 762621956 /nfs/dbraw/zinc/62/19/56/762621956.db2.gz VLEICCRMLWCLJX-DOTOQJQBSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001051661525 762621957 /nfs/dbraw/zinc/62/19/57/762621957.db2.gz VLEICCRMLWCLJX-DOTOQJQBSA-N 1 3 349.479 0.612 20 0 ECADHO CN(C)C1(C(=O)N2CCC([NH2+]CCN3CCCC3=O)CC2)CCC1 ZINC000996667733 758398251 /nfs/dbraw/zinc/39/82/51/758398251.db2.gz XPDYKOCCPUQFQJ-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049233998 758398928 /nfs/dbraw/zinc/39/89/28/758398928.db2.gz URUVHSQGRHZUCL-YVSFHVDLSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049233998 758398934 /nfs/dbraw/zinc/39/89/34/758398934.db2.gz URUVHSQGRHZUCL-YVSFHVDLSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)[C@H](C(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001060320004 762635151 /nfs/dbraw/zinc/63/51/51/762635151.db2.gz JYKQLJCTGVEHGT-YOEHRIQHSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@@H](CNCc2ccccn2)C1)[NH+](C)C ZINC001051667631 762640014 /nfs/dbraw/zinc/64/00/14/762640014.db2.gz TZSHBFYMDIGLLB-IRXDYDNUSA-N 1 3 334.464 0.985 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN(C)C1CCC1 ZINC001011834788 758710291 /nfs/dbraw/zinc/71/02/91/758710291.db2.gz GCCTYVIBXTWSMC-GDBMZVCRSA-N 1 3 348.491 0.672 20 0 ECADHO O=C(N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077300132 758743550 /nfs/dbraw/zinc/74/35/50/758743550.db2.gz ZBIHQOKENLQFGK-BZUAXINKSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022455150 758746119 /nfs/dbraw/zinc/74/61/19/758746119.db2.gz IZECNAWLZOSQJF-DFSBOIMQSA-N 1 3 348.472 0.743 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001022710329 759022404 /nfs/dbraw/zinc/02/24/04/759022404.db2.gz FDHDWVNELQPRMG-HRCADAONSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CCC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001022716965 759032402 /nfs/dbraw/zinc/03/24/02/759032402.db2.gz LEEJAIGQSVIFES-ZNMIVQPWSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022841321 759164579 /nfs/dbraw/zinc/16/45/79/759164579.db2.gz LSBOOULBYQRXOS-DZGCQCFKSA-N 1 3 343.431 0.107 20 0 ECADHO O=C(N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602503 759248149 /nfs/dbraw/zinc/24/81/49/759248149.db2.gz ZBIHQOKENLQFGK-OAGGEKHMSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(N1CCC[C@H]2CN(CCn3cncn3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001050184661 759895386 /nfs/dbraw/zinc/89/53/86/759895386.db2.gz PUJIYAXYHLBWES-JKSUJKDBSA-N 1 3 344.463 0.297 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N[C@H]3CCN(C)C3=O)C2)CC[N@@H+]1C ZINC001054297700 767906381 /nfs/dbraw/zinc/90/63/81/767906381.db2.gz HHQDNXCBBHAJIB-JONQDZQNSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N[C@H]3CCN(C)C3=O)C2)CC[N@H+]1C ZINC001054297700 767906386 /nfs/dbraw/zinc/90/63/86/767906386.db2.gz HHQDNXCBBHAJIB-JONQDZQNSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050236786 760021983 /nfs/dbraw/zinc/02/19/83/760021983.db2.gz RRHBDBGNFJXUAW-HIFRSBDPSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2nnnn2C)CC1 ZINC001050364474 760183898 /nfs/dbraw/zinc/18/38/98/760183898.db2.gz AHTOBVADLJKBEO-AJNGGQMLSA-N 1 3 349.483 0.172 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2nnnn2C)CC1 ZINC001050364474 760183902 /nfs/dbraw/zinc/18/39/02/760183902.db2.gz AHTOBVADLJKBEO-AJNGGQMLSA-N 1 3 349.483 0.172 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2ncnn2C)CC1 ZINC001050366185 760186311 /nfs/dbraw/zinc/18/63/11/760186311.db2.gz QKVKYYGOVRQCDS-KLHDSHLOSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2ncnn2C)CC1 ZINC001050366185 760186315 /nfs/dbraw/zinc/18/63/15/760186315.db2.gz QKVKYYGOVRQCDS-KLHDSHLOSA-N 1 3 348.495 0.777 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001048278567 760207512 /nfs/dbraw/zinc/20/75/12/760207512.db2.gz YUJMZFSHVABVQN-GJZGRUSLSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CNCc1nncn1C ZINC001048302704 760260353 /nfs/dbraw/zinc/26/03/53/760260353.db2.gz FIRGAGJHMWURRE-CABCVRRESA-N 1 3 346.479 0.628 20 0 ECADHO CCn1cc(CNC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)nn1 ZINC001048365047 760379706 /nfs/dbraw/zinc/37/97/06/760379706.db2.gz BXGQDEZSUHSING-ZBFHGGJFSA-N 1 3 348.495 0.824 20 0 ECADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001048387927 760419807 /nfs/dbraw/zinc/41/98/07/760419807.db2.gz SZFVRELKNLTSRS-GJZGRUSLSA-N 1 3 348.495 0.731 20 0 ECADHO CCn1cc(CNC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)nn1 ZINC001048441214 760535938 /nfs/dbraw/zinc/53/59/38/760535938.db2.gz OLAWXSWXKXWYQG-CABCVRRESA-N 1 3 346.479 0.578 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050662725 760638238 /nfs/dbraw/zinc/63/82/38/760638238.db2.gz MWGWRONVAUGXOS-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050662725 760638242 /nfs/dbraw/zinc/63/82/42/760638242.db2.gz MWGWRONVAUGXOS-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001048526090 760662782 /nfs/dbraw/zinc/66/27/82/760662782.db2.gz OGKZYIOMFBEXJD-GJVDQKBNSA-N 1 3 348.491 0.561 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050754175 760782127 /nfs/dbraw/zinc/78/21/27/760782127.db2.gz PYADXHVBNLKTBL-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050754175 760782130 /nfs/dbraw/zinc/78/21/30/760782130.db2.gz PYADXHVBNLKTBL-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CC(=O)N2CCCC2)C(C)(C)C1)N(C)C ZINC000995948475 760835222 /nfs/dbraw/zinc/83/52/22/760835222.db2.gz LELQENMCNXJOGO-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001127078763 760850842 /nfs/dbraw/zinc/85/08/42/760850842.db2.gz RPVQBTNEHFUXAE-GJZGRUSLSA-N 1 3 338.496 0.964 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001127078763 760850854 /nfs/dbraw/zinc/85/08/54/760850854.db2.gz RPVQBTNEHFUXAE-GJZGRUSLSA-N 1 3 338.496 0.964 20 0 ECADHO CN1CC[C@@H](N[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)C1=O ZINC000995993652 760917430 /nfs/dbraw/zinc/91/74/30/760917430.db2.gz CEESHAZAFYOUAN-CABCVRRESA-N 1 3 348.491 0.672 20 0 ECADHO CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCC(=O)N1CCC1 ZINC000995994443 760917935 /nfs/dbraw/zinc/91/79/35/760917935.db2.gz DMKZYKZPWWRAKT-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1N[C@H]1CCNC1=O ZINC000995995878 760919433 /nfs/dbraw/zinc/91/94/33/760919433.db2.gz IOKKXMIRBDGXQY-UONOGXRCSA-N 1 3 334.464 0.330 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000991477644 761126097 /nfs/dbraw/zinc/12/60/97/761126097.db2.gz HIRKOVJXMMXTFR-HOCLYGCPSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000991477644 761126103 /nfs/dbraw/zinc/12/61/03/761126103.db2.gz HIRKOVJXMMXTFR-HOCLYGCPSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050948794 761197349 /nfs/dbraw/zinc/19/73/49/761197349.db2.gz BWKLRSBXTMPTEP-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1)C1CCC1 ZINC000991530578 761404284 /nfs/dbraw/zinc/40/42/84/761404284.db2.gz ZYRNNGQRMRFMSG-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1)C1CCC1 ZINC000991530578 761404289 /nfs/dbraw/zinc/40/42/89/761404289.db2.gz ZYRNNGQRMRFMSG-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)(C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)N1CCCCC1 ZINC001127316827 768092202 /nfs/dbraw/zinc/09/22/02/768092202.db2.gz CBIQRVUYMXIROM-OAHLLOKOSA-N 1 3 337.468 0.214 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001051824058 763050273 /nfs/dbraw/zinc/05/02/73/763050273.db2.gz GYFCHJKUELTAJD-GOEBONIOSA-N 1 3 335.452 0.221 20 0 ECADHO Cn1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001046834115 763198099 /nfs/dbraw/zinc/19/80/99/763198099.db2.gz MQJYVALRZSIICM-CRAIPNDOSA-N 1 3 332.448 0.418 20 0 ECADHO Cn1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001046834115 763198104 /nfs/dbraw/zinc/19/81/04/763198104.db2.gz MQJYVALRZSIICM-CRAIPNDOSA-N 1 3 332.448 0.418 20 0 ECADHO Cc1ncsc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931430 763366446 /nfs/dbraw/zinc/36/64/46/763366446.db2.gz AQJXTIYPFGXFMO-KGLIPLIRSA-N 1 3 338.477 0.720 20 0 ECADHO Cc1ncsc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051931430 763366455 /nfs/dbraw/zinc/36/64/55/763366455.db2.gz AQJXTIYPFGXFMO-KGLIPLIRSA-N 1 3 338.477 0.720 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H]2CN(CCCO)CCC2(F)F)CC1 ZINC001046969620 763487719 /nfs/dbraw/zinc/48/77/19/763487719.db2.gz CFHVPAVRFRFQPP-AWEZNQCLSA-N 1 3 333.423 0.784 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCc2ccccc2)CC[N@@H+]1C ZINC001127690192 763532000 /nfs/dbraw/zinc/53/20/00/763532000.db2.gz GIUWSCNVNRGLGT-DLBZAZTESA-N 1 3 346.475 0.739 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCc2ccccc2)CC[N@H+]1C ZINC001127690192 763532007 /nfs/dbraw/zinc/53/20/07/763532007.db2.gz GIUWSCNVNRGLGT-DLBZAZTESA-N 1 3 346.475 0.739 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1)C1CC1 ZINC001052036347 763648210 /nfs/dbraw/zinc/64/82/10/763648210.db2.gz LZAPLSOQXYBOQH-QZTJIDSGSA-N 1 3 334.508 0.955 20 0 ECADHO O=C(CN1CCCC1)N1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001017586439 768156876 /nfs/dbraw/zinc/15/68/76/768156876.db2.gz GNXBTHZNVLKCHJ-UHFFFAOYSA-N 1 3 346.475 0.453 20 0 ECADHO O=C(N[C@@H]1CCN(CCn2cncn2)C1)c1ccn2c[nH+]cc2c1 ZINC001015114726 763918727 /nfs/dbraw/zinc/91/87/27/763918727.db2.gz RLSXPUYGMNIIEH-CQSZACIVSA-N 1 3 325.376 0.430 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001077475634 764003654 /nfs/dbraw/zinc/00/36/54/764003654.db2.gz OIROTYMPHQNLIZ-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1)CS(C)(=O)=O ZINC001127327797 768194593 /nfs/dbraw/zinc/19/45/93/768194593.db2.gz XFPOBCONOUNEDZ-CQSZACIVSA-N 1 3 347.525 0.637 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001060407739 764655127 /nfs/dbraw/zinc/65/51/27/764655127.db2.gz XQXNZSSRXZZCEG-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001047570864 764726073 /nfs/dbraw/zinc/72/60/73/764726073.db2.gz QBMYIBQPQFZKAU-XHSDSOJGSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccn(C)c(=O)c1 ZINC001089037897 764853114 /nfs/dbraw/zinc/85/31/14/764853114.db2.gz VNYKVYCBRQPRQL-KBMXLJTQSA-N 1 3 332.448 0.416 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccn(C)c(=O)c1 ZINC001089037897 764853118 /nfs/dbraw/zinc/85/31/18/764853118.db2.gz VNYKVYCBRQPRQL-KBMXLJTQSA-N 1 3 332.448 0.416 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2occc2CN(C)C)CC1 ZINC001052662505 764956636 /nfs/dbraw/zinc/95/66/36/764956636.db2.gz HRUIYYFDYDLUTA-CQSZACIVSA-N 1 3 336.436 0.672 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2occc2CN(C)C)CC1 ZINC001052662505 764956643 /nfs/dbraw/zinc/95/66/43/764956643.db2.gz HRUIYYFDYDLUTA-CQSZACIVSA-N 1 3 336.436 0.672 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001052662964 764958769 /nfs/dbraw/zinc/95/87/69/764958769.db2.gz XYQDXBLRYAQBPO-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000992006994 765136481 /nfs/dbraw/zinc/13/64/81/765136481.db2.gz CIDQGPWVENECDA-CVEARBPZSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000992006994 765136483 /nfs/dbraw/zinc/13/64/83/765136483.db2.gz CIDQGPWVENECDA-CVEARBPZSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000992009924 765144540 /nfs/dbraw/zinc/14/45/40/765144540.db2.gz OKLDRALOWCSXAD-CABCVRRESA-N 1 3 331.420 0.296 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000992009924 765144545 /nfs/dbraw/zinc/14/45/45/765144545.db2.gz OKLDRALOWCSXAD-CABCVRRESA-N 1 3 331.420 0.296 20 0 ECADHO Cn1cc(CN2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC001052871452 765265783 /nfs/dbraw/zinc/26/57/83/765265783.db2.gz IOKAEUYNZBMUQL-MRXNPFEDSA-N 1 3 331.464 0.987 20 0 ECADHO Cn1cc(CN2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC001052871451 765266657 /nfs/dbraw/zinc/26/66/57/765266657.db2.gz IOKAEUYNZBMUQL-INIZCTEOSA-N 1 3 331.464 0.987 20 0 ECADHO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052987180 765464331 /nfs/dbraw/zinc/46/43/31/765464331.db2.gz GMKWKCLVUHQNHT-IYBDPMFKSA-N 1 3 334.464 0.411 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001053115860 765603591 /nfs/dbraw/zinc/60/35/91/765603591.db2.gz SBYDNLWRTNCDMH-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO O=C(N[C@@H]1CCN(C[C@@H](O)Cc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001016003490 765701407 /nfs/dbraw/zinc/70/14/07/765701407.db2.gz IRBLZAUZPWRCAV-MSOLQXFVSA-N 1 3 343.471 0.876 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)NC2C[NH+](CC3CCOCC3)C2)C1 ZINC001030839527 765963505 /nfs/dbraw/zinc/96/35/05/765963505.db2.gz MLKPLWSTOCYDPA-MRXNPFEDSA-N 1 3 325.453 0.323 20 0 ECADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001053357679 766026602 /nfs/dbraw/zinc/02/66/02/766026602.db2.gz WBWPJZACJVLCEY-LSDHHAIUSA-N 1 3 340.512 0.879 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001053442182 766139062 /nfs/dbraw/zinc/13/90/62/766139062.db2.gz GSQBDZTZUUMVPR-CVEARBPZSA-N 1 3 340.512 0.879 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001053442182 766139065 /nfs/dbraw/zinc/13/90/65/766139065.db2.gz GSQBDZTZUUMVPR-CVEARBPZSA-N 1 3 340.512 0.879 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001016530994 766446622 /nfs/dbraw/zinc/44/66/22/766446622.db2.gz HEXBCPHUWIPAAX-UHFFFAOYSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)CC2)C1 ZINC001046047492 766778204 /nfs/dbraw/zinc/77/82/04/766778204.db2.gz RIRPFMNDNRJDLP-DHADLLTHSA-N 1 3 348.491 0.088 20 0 ECADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)CC2)C1 ZINC001046047492 766778208 /nfs/dbraw/zinc/77/82/08/766778208.db2.gz RIRPFMNDNRJDLP-DHADLLTHSA-N 1 3 348.491 0.088 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000994843599 766932430 /nfs/dbraw/zinc/93/24/30/766932430.db2.gz YOXYMGCBGCVWGM-HNNXBMFYSA-N 1 3 334.464 0.284 20 0 ECADHO Cn1cc(CCN2CC[C@](C)(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001046319833 767145772 /nfs/dbraw/zinc/14/57/72/767145772.db2.gz XGZWCJJSMAHEMX-MJGOQNOKSA-N 1 3 345.491 0.885 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)[C@H](C)C1 ZINC001106910712 767150956 /nfs/dbraw/zinc/15/09/56/767150956.db2.gz LARKRJAGLCJQTH-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1 ZINC001106910960 767155925 /nfs/dbraw/zinc/15/59/25/767155925.db2.gz XKSKRKVQPJIKIY-HZPDHXFCSA-N 1 3 335.496 0.989 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2c1CNCC2)Cc1ccccc1 ZINC000446278665 767167660 /nfs/dbraw/zinc/16/76/60/767167660.db2.gz BLJSISYCKMXHRP-AWEZNQCLSA-N 1 3 327.432 0.958 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC2(C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016935309 767348016 /nfs/dbraw/zinc/34/80/16/767348016.db2.gz LWRSMQLQMMHCKA-GJZGRUSLSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001017038763 767496143 /nfs/dbraw/zinc/49/61/43/767496143.db2.gz MMIVNXAHOWTTHQ-QQFBHYJXSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC001017198632 767714820 /nfs/dbraw/zinc/71/48/20/767714820.db2.gz WFRIWWAKWBZFHW-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCCNC1=O ZINC001017250697 767770078 /nfs/dbraw/zinc/77/00/78/767770078.db2.gz IBBRMWBKIVXYHC-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO CN1CC[C@@H]([N@H+](C)C[C@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001017263537 767786018 /nfs/dbraw/zinc/78/60/18/767786018.db2.gz GRUHQQPGUQKJEA-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001017263537 767786022 /nfs/dbraw/zinc/78/60/22/767786022.db2.gz GRUHQQPGUQKJEA-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C1 ZINC000993214197 768537694 /nfs/dbraw/zinc/53/76/94/768537694.db2.gz KDPMDZGIPYZDJO-BWRBCVJASA-N 1 3 348.491 0.482 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C1 ZINC000993214197 768537696 /nfs/dbraw/zinc/53/76/96/768537696.db2.gz KDPMDZGIPYZDJO-BWRBCVJASA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106665233 768578845 /nfs/dbraw/zinc/57/88/45/768578845.db2.gz NBRCQOHUTHOWQH-OWCLPIDISA-N 1 3 334.468 0.447 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1)N(C)C ZINC001106674062 768584727 /nfs/dbraw/zinc/58/47/27/768584727.db2.gz PRLUQUWDJGZMOE-BMFZPTHFSA-N 1 3 338.496 0.537 20 0 ECADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672764 768588126 /nfs/dbraw/zinc/58/81/26/768588126.db2.gz JNSUGLWNFCYZJF-BZUAXINKSA-N 1 3 343.512 0.656 20 0 ECADHO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704741 768692896 /nfs/dbraw/zinc/69/28/96/768692896.db2.gz AZKKORIKTLTMIQ-QLFBSQMISA-N 1 3 349.479 0.797 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001106705043 768694555 /nfs/dbraw/zinc/69/45/55/768694555.db2.gz OTPVATYQESWZQW-HUUCEWRRSA-N 1 3 347.463 0.649 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)[C@H](C)C1 ZINC001106782855 768949490 /nfs/dbraw/zinc/94/94/90/768949490.db2.gz AATYAAVWMMNKKJ-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCCC2)C1 ZINC001018635708 769688846 /nfs/dbraw/zinc/68/88/46/769688846.db2.gz RGYBFQZVDSRLOF-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000993863399 769714004 /nfs/dbraw/zinc/71/40/04/769714004.db2.gz IRQREZQUACUCLS-HNNXBMFYSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993959495 769895798 /nfs/dbraw/zinc/89/57/98/769895798.db2.gz PDQKHMABAWIUOP-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993959495 769895812 /nfs/dbraw/zinc/89/58/12/769895812.db2.gz PDQKHMABAWIUOP-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000993944022 769921123 /nfs/dbraw/zinc/92/11/23/769921123.db2.gz CKCKCQMZKAZHBZ-CVEARBPZSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000993944022 769921135 /nfs/dbraw/zinc/92/11/35/769921135.db2.gz CKCKCQMZKAZHBZ-CVEARBPZSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018968152 770427035 /nfs/dbraw/zinc/42/70/35/770427035.db2.gz WHTXAZXXEFZKPW-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018968152 770427039 /nfs/dbraw/zinc/42/70/39/770427039.db2.gz WHTXAZXXEFZKPW-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1nc(CN[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)n[nH]1 ZINC001019030113 770602793 /nfs/dbraw/zinc/60/27/93/770602793.db2.gz AUDNEYASQSTSPI-AWEZNQCLSA-N 1 3 332.452 0.680 20 0 ECADHO CN1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001019386621 771236445 /nfs/dbraw/zinc/23/64/45/771236445.db2.gz RRVOAURTOTWZTH-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N2CCCCC2)C1)N(C)C ZINC001019394172 771245353 /nfs/dbraw/zinc/24/53/53/771245353.db2.gz AMQJBXGPSSLMSC-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO CC1(C)C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN([C@@H]2CCNC2=O)C1 ZINC001089539821 771421372 /nfs/dbraw/zinc/42/13/72/771421372.db2.gz OFVOOZKSWFCTDH-LSDHHAIUSA-N 1 3 348.491 0.578 20 0 ECADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CCCO1 ZINC001078433108 782939879 /nfs/dbraw/zinc/93/98/79/782939879.db2.gz SRVYRKDKLSTNSH-GARNVTTQSA-N 1 3 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CCN(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079997240 777207352 /nfs/dbraw/zinc/20/73/52/777207352.db2.gz MADGOSJPFAHLOJ-CQSZACIVSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079997240 777207361 /nfs/dbraw/zinc/20/73/61/777207361.db2.gz MADGOSJPFAHLOJ-CQSZACIVSA-N 1 3 338.496 0.728 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078783750 780489819 /nfs/dbraw/zinc/48/98/19/780489819.db2.gz NZXZWYSBUUIBJB-GJZGRUSLSA-N 1 3 344.463 0.428 20 0 ECADHO CC[C@@H](C(=O)NC1(CNC(=O)CC[NH+](C)C)CCOCC1)N(C)C ZINC001070173577 783594425 /nfs/dbraw/zinc/59/44/25/783594425.db2.gz CZQNTKVEHSCXCJ-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001037863923 783653326 /nfs/dbraw/zinc/65/33/26/783653326.db2.gz ZEYQFUCYKJIEIQ-WBVHZDCISA-N 1 3 348.495 0.979 20 0 ECADHO CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1NCc1cn(C)nn1 ZINC001037926920 783706465 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786429532 /nfs/dbraw/zinc/42/95/32/786429532.db2.gz RNXQEJZNCXPEKR-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)CC[N@@H+]1C ZINC001073613073 786770593 /nfs/dbraw/zinc/77/05/93/786770593.db2.gz ANSYNAGMFFAVRC-HRCADAONSA-N 1 3 327.469 0.306 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)CC[N@H+]1C ZINC001073613073 786770598 /nfs/dbraw/zinc/77/05/98/786770598.db2.gz ANSYNAGMFFAVRC-HRCADAONSA-N 1 3 327.469 0.306 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073672450 786933370 /nfs/dbraw/zinc/93/33/70/786933370.db2.gz LVTJVVVNFKRLIH-HZPDHXFCSA-N 1 3 327.469 0.306 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073672450 786933373 /nfs/dbraw/zinc/93/33/73/786933373.db2.gz LVTJVVVNFKRLIH-HZPDHXFCSA-N 1 3 327.469 0.306 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001074655017 787516296 /nfs/dbraw/zinc/51/62/96/787516296.db2.gz RIMBGNPJLLFIGA-IMJJTQAJSA-N 1 3 334.464 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ZINC001072742495 788691420 /nfs/dbraw/zinc/69/14/20/788691420.db2.gz RDHULHBGIZMLTK-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001072800925 788830100 /nfs/dbraw/zinc/83/01/00/788830100.db2.gz HZCREXKEOZFNEV-ZBFHGGJFSA-N 1 3 347.463 0.791 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001075169352 789016940 /nfs/dbraw/zinc/01/69/40/789016940.db2.gz ILJYMSINYGEGMU-DDUZABMNSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2 ZINC001072979563 789203507 /nfs/dbraw/zinc/20/35/07/789203507.db2.gz DAXNDYARQBLTGT-HNNXBMFYSA-N 1 3 332.452 0.297 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072979563 789203514 /nfs/dbraw/zinc/20/35/14/789203514.db2.gz DAXNDYARQBLTGT-HNNXBMFYSA-N 1 3 332.452 0.297 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1CNCc1cn(C)nn1 ZINC001075322272 789211210 /nfs/dbraw/zinc/21/12/10/789211210.db2.gz TVUWQIFQVFBGSC-ZBFHGGJFSA-N 1 3 348.495 0.731 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](C[C@@H]1C[C@@]13CCOC3)C2 ZINC001073016306 789278518 /nfs/dbraw/zinc/27/85/18/789278518.db2.gz SNQXOWFMLWOZER-KBXCAEBGSA-N 1 3 330.432 0.913 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](C[C@@H]1C[C@@]13CCOC3)C2 ZINC001073016306 789278525 /nfs/dbraw/zinc/27/85/25/789278525.db2.gz SNQXOWFMLWOZER-KBXCAEBGSA-N 1 3 330.432 0.913 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001075379263 789305815 /nfs/dbraw/zinc/30/58/15/789305815.db2.gz FSVZDFQPWQCLFA-WBVHZDCISA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001075379263 789305822 /nfs/dbraw/zinc/30/58/22/789305822.db2.gz FSVZDFQPWQCLFA-WBVHZDCISA-N 1 3 346.479 0.893 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001067713105 792171338 /nfs/dbraw/zinc/17/13/38/792171338.db2.gz FSFMGSYMWRJGKG-HZPDHXFCSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001067713105 792171344 /nfs/dbraw/zinc/17/13/44/792171344.db2.gz FSFMGSYMWRJGKG-HZPDHXFCSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001067837198 792347935 /nfs/dbraw/zinc/34/79/35/792347935.db2.gz FSFMGSYMWRJGKG-CVEARBPZSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001067837198 792347945 /nfs/dbraw/zinc/34/79/45/792347945.db2.gz FSFMGSYMWRJGKG-CVEARBPZSA-N 1 3 340.512 0.975 20 0 ECADHO CCN(C)C(C)(C)C(=O)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001408632448 837587428 /nfs/dbraw/zinc/58/74/28/837587428.db2.gz GNTNHOOPPOPNBS-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001266817405 836342677 /nfs/dbraw/zinc/34/26/77/836342677.db2.gz QIUGKQVPHITZMD-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H](C(C)C)N(C)C ZINC001408762286 838330885 /nfs/dbraw/zinc/33/08/85/838330885.db2.gz RWUBLFVOZYAROZ-MRXNPFEDSA-N 1 3 340.512 0.879 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354658865 299088164 /nfs/dbraw/zinc/08/81/64/299088164.db2.gz RAYACSVJJSQSCB-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354658865 299088166 /nfs/dbraw/zinc/08/81/66/299088166.db2.gz RAYACSVJJSQSCB-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCNC(=O)[C@@H]1CCCN1C1CC1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427495121 210204155 /nfs/dbraw/zinc/20/41/55/210204155.db2.gz BEISGWUENCSCDL-DLBZAZTESA-N 1 3 348.491 0.815 20 0 ECADHO CN(CCNC(=O)[C@@H]1CCCN1C1CC1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000427495121 210204158 /nfs/dbraw/zinc/20/41/58/210204158.db2.gz BEISGWUENCSCDL-DLBZAZTESA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354796973 299129930 /nfs/dbraw/zinc/12/99/30/299129930.db2.gz SCTSZDXEGFFDFL-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354796973 299129933 /nfs/dbraw/zinc/12/99/33/299129933.db2.gz SCTSZDXEGFFDFL-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)C(C)(C)C[NH+](C)C ZINC000419545679 209122128 /nfs/dbraw/zinc/12/21/28/209122128.db2.gz MWKBRTZMMMVKPM-RDBSUJKOSA-N 1 3 326.485 0.665 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000354950719 299169824 /nfs/dbraw/zinc/16/98/24/299169824.db2.gz WMSZBNNGKVTNDT-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000354950719 299169829 /nfs/dbraw/zinc/16/98/29/299169829.db2.gz WMSZBNNGKVTNDT-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO COCCNS(=O)(=O)c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422933499 209676543 /nfs/dbraw/zinc/67/65/43/209676543.db2.gz HWIBUWGTXCXABO-GDBMZVCRSA-N 1 3 341.477 0.828 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422124451 283216501 /nfs/dbraw/zinc/21/65/01/283216501.db2.gz VKSFZTQMMZMGEB-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419404365 291196169 /nfs/dbraw/zinc/19/61/69/291196169.db2.gz GBVYYIKFKNFMLB-KGLIPLIRSA-N 1 3 340.468 0.064 20 0 ECADHO NS(=O)(=O)c1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420319793 209352116 /nfs/dbraw/zinc/35/21/16/209352116.db2.gz PLVVDYSNJAJYHB-CQSZACIVSA-N 1 3 338.477 0.456 20 0 ECADHO COC(=O)c1ccccc1OCCN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420292684 209349634 /nfs/dbraw/zinc/34/96/34/209349634.db2.gz LUYMNCTUPXIYCK-AWEZNQCLSA-N 1 3 349.431 0.639 20 0 ECADHO O=C(CN1CCN(CC[C@H]2CC[NH2+]C2)CC1)NCc1ccccc1 ZINC000420294915 209349153 /nfs/dbraw/zinc/34/91/53/209349153.db2.gz BMRLKVFIJFCLNL-GOSISDBHSA-N 1 3 330.476 0.920 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000420206858 209340615 /nfs/dbraw/zinc/34/06/15/209340615.db2.gz FLIIVGBFMNCMTE-CABCVRRESA-N 1 3 336.480 0.649 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000420143692 209320515 /nfs/dbraw/zinc/32/05/15/209320515.db2.gz KCTPVXGRWUPNFL-RBSFLKMASA-N 1 3 326.485 0.809 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000420143692 209320518 /nfs/dbraw/zinc/32/05/18/209320518.db2.gz KCTPVXGRWUPNFL-RBSFLKMASA-N 1 3 326.485 0.809 20 0 ECADHO CCC(CC)[C@@H](CNC(=O)C(=O)N[C@H](CN)C1CC1)[NH+]1CCCC1 ZINC000420068811 209297003 /nfs/dbraw/zinc/29/70/03/209297003.db2.gz VFYGXZYYVDEUMN-HZPDHXFCSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000420007651 209276214 /nfs/dbraw/zinc/27/62/14/209276214.db2.gz ZTQLZCCRCXVOAK-PMPSAXMXSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000419984353 209269748 /nfs/dbraw/zinc/26/97/48/209269748.db2.gz DBIWTWZWVGFQOM-CYBMUJFWSA-N 1 3 338.427 0.569 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@H](CN)C1CCCCC1)C(C)C ZINC000419976699 209267084 /nfs/dbraw/zinc/26/70/84/209267084.db2.gz LJXLHBJPEWJHKC-OAHLLOKOSA-N 1 3 326.485 0.857 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H](CN)C1CCCCC1)C(C)C ZINC000419976699 209267086 /nfs/dbraw/zinc/26/70/86/209267086.db2.gz LJXLHBJPEWJHKC-OAHLLOKOSA-N 1 3 326.485 0.857 20 0 ECADHO C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419929473 209251484 /nfs/dbraw/zinc/25/14/84/209251484.db2.gz MMIPDZBJKDXLMA-QGZVFWFLSA-N 1 3 346.475 0.993 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419908934 209245938 /nfs/dbraw/zinc/24/59/38/209245938.db2.gz FOAIQWDLTKUFHI-GDBMZVCRSA-N 1 3 332.448 0.603 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419908934 209245940 /nfs/dbraw/zinc/24/59/40/209245940.db2.gz FOAIQWDLTKUFHI-GDBMZVCRSA-N 1 3 332.448 0.603 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000419832098 209216093 /nfs/dbraw/zinc/21/60/93/209216093.db2.gz RMQDTUWSVHSZEY-GDBMZVCRSA-N 1 3 332.448 0.651 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419714429 209184044 /nfs/dbraw/zinc/18/40/44/209184044.db2.gz SXFAREFQYLZLKK-QGZVFWFLSA-N 1 3 348.491 0.897 20 0 ECADHO COCCN(C)CCCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419670923 209166385 /nfs/dbraw/zinc/16/63/85/209166385.db2.gz DKSQXJYBQGMHQT-UHFFFAOYSA-N 1 3 342.484 0.239 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419666030 209164240 /nfs/dbraw/zinc/16/42/40/209164240.db2.gz VNLMWQLUWNTFIE-GDBMZVCRSA-N 1 3 332.448 0.491 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419587949 209132820 /nfs/dbraw/zinc/13/28/20/209132820.db2.gz NXMAHPZIIRWWOR-CAOSSQGBSA-N 1 3 336.480 0.481 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H](N)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000419535780 209119402 /nfs/dbraw/zinc/11/94/02/209119402.db2.gz ABOOFYGGMZRUJL-HIFRSBDPSA-N 1 3 334.464 0.895 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000419528926 209117368 /nfs/dbraw/zinc/11/73/68/209117368.db2.gz XCCMGILDDYKMEV-HNNXBMFYSA-N 1 3 334.464 0.820 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000419528926 209117369 /nfs/dbraw/zinc/11/73/69/209117369.db2.gz XCCMGILDDYKMEV-HNNXBMFYSA-N 1 3 334.464 0.820 20 0 ECADHO CC(C)C[C@@H](CN(C)C)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111826857 220200407 /nfs/dbraw/zinc/20/04/07/220200407.db2.gz GASYNWZPUGIDSY-INIZCTEOSA-N 1 3 328.501 0.966 20 0 ECADHO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@@H]1CN1CCCC1 ZINC000237878951 296279521 /nfs/dbraw/zinc/27/95/21/296279521.db2.gz JHGHMCBPYBMNOL-OAHLLOKOSA-N 1 3 332.452 0.903 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419483511 209106698 /nfs/dbraw/zinc/10/66/98/209106698.db2.gz RTRDGQULFCSHPF-FMKPAKJESA-N 1 3 338.496 0.714 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444267437 211064661 /nfs/dbraw/zinc/06/46/61/211064661.db2.gz GPDCRQHJZZEVIT-IEBWSBKVSA-N 1 3 343.475 0.710 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[C@@H]1CN ZINC000423718425 296363191 /nfs/dbraw/zinc/36/31/91/296363191.db2.gz BYXOAYHEGACNCA-OWCLPIDISA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[C@@H]1CN ZINC000423718425 296363192 /nfs/dbraw/zinc/36/31/92/296363192.db2.gz BYXOAYHEGACNCA-OWCLPIDISA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@@H]1CN ZINC000423742036 296364556 /nfs/dbraw/zinc/36/45/56/296364556.db2.gz UCYPNOUYAGVOCX-KLHDSHLOSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@@H]1CN ZINC000423742036 296364558 /nfs/dbraw/zinc/36/45/58/296364558.db2.gz UCYPNOUYAGVOCX-KLHDSHLOSA-N 1 3 336.480 0.515 20 0 ECADHO COC1CC[NH+](C(C)(C)CNC(=O)CNC[C@@H]2CCCO2)CC1 ZINC000430708724 210397452 /nfs/dbraw/zinc/39/74/52/210397452.db2.gz KNEHYGHBUULIGZ-HNNXBMFYSA-N 1 3 327.469 0.761 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419473346 209103819 /nfs/dbraw/zinc/10/38/19/209103819.db2.gz AJBMHSNJGABGER-JKSUJKDBSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419473346 209103816 /nfs/dbraw/zinc/10/38/16/209103816.db2.gz AJBMHSNJGABGER-JKSUJKDBSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419024371 296384338 /nfs/dbraw/zinc/38/43/38/296384338.db2.gz KRUPXROZSYHRDD-KFWWJZLASA-N 1 3 338.496 0.727 20 0 ECADHO O=C(CNC(=O)NC1CC[NH2+]CC1)NCCN1CCCCCC1 ZINC000418303121 208793777 /nfs/dbraw/zinc/79/37/77/208793777.db2.gz COTYVVMYBJSFPY-UHFFFAOYSA-N 1 3 325.457 0.030 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC000419147174 209000539 /nfs/dbraw/zinc/00/05/39/209000539.db2.gz BSEFAQNBBSGIBK-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419153292 209002828 /nfs/dbraw/zinc/00/28/28/209002828.db2.gz PEWOWDLWZDNXNK-OAHLLOKOSA-N 1 3 348.447 0.097 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000420451855 254776428 /nfs/dbraw/zinc/77/64/28/254776428.db2.gz RBIXKFAMQMQESL-CYBMUJFWSA-N 1 3 345.513 0.713 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419175173 209013338 /nfs/dbraw/zinc/01/33/38/209013338.db2.gz WUMUQDRGAHXUQU-MRXNPFEDSA-N 1 3 338.496 0.955 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419176174 209013376 /nfs/dbraw/zinc/01/33/76/209013376.db2.gz YXGNOEKAXBPOMJ-CRAIPNDOSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419225511 209031939 /nfs/dbraw/zinc/03/19/39/209031939.db2.gz HHBUITJOSPRODP-BMFZPTHFSA-N 1 3 336.480 0.481 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419226261 209032451 /nfs/dbraw/zinc/03/24/51/209032451.db2.gz IMUKGHCWCALHTJ-HNNXBMFYSA-N 1 3 338.496 0.810 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419232021 209035598 /nfs/dbraw/zinc/03/55/98/209035598.db2.gz TZBHWJHICJMREW-NVXWUHKLSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419334747 209063232 /nfs/dbraw/zinc/06/32/32/209063232.db2.gz NKYBMLALGZCUES-KCXAZCMYSA-N 1 3 330.432 0.402 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000419336754 209063403 /nfs/dbraw/zinc/06/34/03/209063403.db2.gz ANLJKEZWQWZFQB-SJORKVTESA-N 1 3 346.475 0.615 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419334745 209063538 /nfs/dbraw/zinc/06/35/38/209063538.db2.gz NKYBMLALGZCUES-DAXOMENPSA-N 1 3 330.432 0.402 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419412621 209087290 /nfs/dbraw/zinc/08/72/90/209087290.db2.gz CPSSRWRLHNTTOH-FXUDXRNXSA-N 1 3 336.480 0.481 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)CC(C)C)C[C@@H]1C ZINC000419945983 285382795 /nfs/dbraw/zinc/38/27/95/285382795.db2.gz ADVAZHXDPJLKJZ-ZNMIVQPWSA-N 1 3 326.485 0.807 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)CC(C)C)C[C@@H]1C ZINC000419945983 285382796 /nfs/dbraw/zinc/38/27/96/285382796.db2.gz ADVAZHXDPJLKJZ-ZNMIVQPWSA-N 1 3 326.485 0.807 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)CC(C)C)[C@@H](C)C1 ZINC000419965664 285383032 /nfs/dbraw/zinc/38/30/32/285383032.db2.gz XGQNJEPGOKEMTJ-ZNMIVQPWSA-N 1 3 326.485 0.665 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)CC(C)C)[C@@H](C)C1 ZINC000419965664 285383033 /nfs/dbraw/zinc/38/30/33/285383033.db2.gz XGQNJEPGOKEMTJ-ZNMIVQPWSA-N 1 3 326.485 0.665 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000419373419 209072644 /nfs/dbraw/zinc/07/26/44/209072644.db2.gz ODRUFEPNHUFRNC-INIZCTEOSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000423150580 296499414 /nfs/dbraw/zinc/49/94/14/296499414.db2.gz JBAPKQUPSMEXSD-PMPSAXMXSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1CO ZINC000190423598 165020411 /nfs/dbraw/zinc/02/04/11/165020411.db2.gz MHDRNDJEVUMTDC-YOEHRIQHSA-N 1 3 338.496 0.957 20 0 ECADHO Cn1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000192920466 165051300 /nfs/dbraw/zinc/05/13/00/165051300.db2.gz LFWVBCAJXUXMEZ-INIZCTEOSA-N 1 3 342.443 0.696 20 0 ECADHO CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2ccccc2C1 ZINC000236664313 165091447 /nfs/dbraw/zinc/09/14/47/165091447.db2.gz NKLKNQMVDXKGQE-SQNIBIBYSA-N 1 3 331.460 0.908 20 0 ECADHO CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000249488837 165199591 /nfs/dbraw/zinc/19/95/91/165199591.db2.gz YUXSXCNMMJAVRG-CABCVRRESA-N 1 3 342.484 0.949 20 0 ECADHO C[C@@H]([NH3+])C1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000261928676 165263461 /nfs/dbraw/zinc/26/34/61/165263461.db2.gz JCGWXHPPURFCQJ-GFCCVEGCSA-N 1 3 327.450 0.772 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262245321 165316098 /nfs/dbraw/zinc/31/60/98/165316098.db2.gz LEGRYRJMLKAZSZ-ZOBUZTSGSA-N 1 3 335.423 0.734 20 0 ECADHO CC[C@H](C)[C@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000262514291 165358199 /nfs/dbraw/zinc/35/81/99/165358199.db2.gz QBTPVINJYZKBNQ-GWCFXTLKSA-N 1 3 328.438 0.236 20 0 ECADHO [NH3+]C[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000237801757 263175425 /nfs/dbraw/zinc/17/54/25/263175425.db2.gz IMVLCXBNBLDDRP-KRWDZBQOSA-N 1 3 344.459 0.496 20 0 ECADHO C[C@H](CS(C)(=O)=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000271702156 263324735 /nfs/dbraw/zinc/32/47/35/263324735.db2.gz MTXZIVDUOBLUCP-OAHLLOKOSA-N 1 3 340.493 0.616 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N(C)CCN(C)C)[NH+]1CCC(C)CC1 ZINC000340196989 437594181 /nfs/dbraw/zinc/59/41/81/437594181.db2.gz LNUZDNKMPLJLFY-INIZCTEOSA-N 1 3 340.512 0.879 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420049875 276072230 /nfs/dbraw/zinc/07/22/30/276072230.db2.gz YOERLGVKPVMHDY-MELADBBJSA-N 1 3 340.468 0.016 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420049875 276072232 /nfs/dbraw/zinc/07/22/32/276072232.db2.gz YOERLGVKPVMHDY-MELADBBJSA-N 1 3 340.468 0.016 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000418853915 276788607 /nfs/dbraw/zinc/78/86/07/276788607.db2.gz SPFGESCIMDWXNP-CVEARBPZSA-N 1 3 332.448 0.225 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000246659434 277223265 /nfs/dbraw/zinc/22/32/65/277223265.db2.gz DEKCOEJTUIOAIO-DLBZAZTESA-N 1 3 339.480 0.857 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000246659434 277223267 /nfs/dbraw/zinc/22/32/67/277223267.db2.gz DEKCOEJTUIOAIO-DLBZAZTESA-N 1 3 339.480 0.857 20 0 ECADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433501264 278227464 /nfs/dbraw/zinc/22/74/64/278227464.db2.gz ZMEVLMZJKKKNJY-HOTGVXAUSA-N 1 3 346.479 0.717 20 0 ECADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433501264 278227466 /nfs/dbraw/zinc/22/74/66/278227466.db2.gz ZMEVLMZJKKKNJY-HOTGVXAUSA-N 1 3 346.479 0.717 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[NH2+]1 ZINC000418847950 278976402 /nfs/dbraw/zinc/97/64/02/278976402.db2.gz KIDJHDSINIIBSU-DJIMGWMZSA-N 1 3 346.475 0.532 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000262812073 279110300 /nfs/dbraw/zinc/11/03/00/279110300.db2.gz UPTGOPXKKHLFHI-ZDUSSCGKSA-N 1 3 335.452 0.628 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449748270 279306441 /nfs/dbraw/zinc/30/64/41/279306441.db2.gz BDDJLOJAEBCTIJ-KFWWJZLASA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236881954 279358153 /nfs/dbraw/zinc/35/81/53/279358153.db2.gz KAPAVZSDJONSKX-LSDHHAIUSA-N 1 3 328.526 0.471 20 0 ECADHO CCC(CC)(C[NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000236662147 282070222 /nfs/dbraw/zinc/07/02/22/282070222.db2.gz SFRWMXBMOFOQIN-AWEZNQCLSA-N 1 3 326.485 0.810 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000418981733 289224055 /nfs/dbraw/zinc/22/40/55/289224055.db2.gz GYARXTOKDUOIAM-YESZJQIVSA-N 1 3 344.459 0.560 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000459927643 289367866 /nfs/dbraw/zinc/36/78/66/289367866.db2.gz ALEBSKYCCLOLNE-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000332168932 297011399 /nfs/dbraw/zinc/01/13/99/297011399.db2.gz RNTYZSZXWYZAAA-VNQPRFMTSA-N 1 3 336.480 0.705 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000332535161 297050355 /nfs/dbraw/zinc/05/03/55/297050355.db2.gz ABPCBUZBVXONFZ-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCC1 ZINC000420059554 295242180 /nfs/dbraw/zinc/24/21/80/295242180.db2.gz GHMQDLYCRRYRKQ-JKSUJKDBSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCC1 ZINC000420059552 295242296 /nfs/dbraw/zinc/24/22/96/295242296.db2.gz GHMQDLYCRRYRKQ-HZPDHXFCSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000419431309 295339807 /nfs/dbraw/zinc/33/98/07/295339807.db2.gz XIFGNKOXYZLZHD-JKSUJKDBSA-N 1 3 330.432 0.499 20 0 ECADHO CC(CN1CC[C@]2(CNC(=O)C2)C1)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000333077896 297107263 /nfs/dbraw/zinc/10/72/63/297107263.db2.gz WJRUHIFMHUWMFK-ROUUACIJSA-N 1 3 334.464 0.047 20 0 ECADHO CC(CN1CC[C@]2(CNC(=O)C2)C1)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000333077896 297107265 /nfs/dbraw/zinc/10/72/65/297107265.db2.gz WJRUHIFMHUWMFK-ROUUACIJSA-N 1 3 334.464 0.047 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418606474 297109007 /nfs/dbraw/zinc/10/90/07/297109007.db2.gz ZJAKGMZYCIIQQI-HUUCEWRRSA-N 1 3 339.484 0.276 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)N1CCN(C)CC1 ZINC000333928569 297155909 /nfs/dbraw/zinc/15/59/09/297155909.db2.gz XMNSXMMXUMDWBJ-XHSDSOJGSA-N 1 3 325.501 0.556 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N1CCN(C)CC1 ZINC000333928567 297155947 /nfs/dbraw/zinc/15/59/47/297155947.db2.gz XMNSXMMXUMDWBJ-OAGGEKHMSA-N 1 3 325.501 0.556 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339576151 297361121 /nfs/dbraw/zinc/36/11/21/297361121.db2.gz WFERZEOJAKXUMJ-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CCN1C ZINC000339591676 297362165 /nfs/dbraw/zinc/36/21/65/297362165.db2.gz WWAVCXGOXRJPHS-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000339639273 297367958 /nfs/dbraw/zinc/36/79/58/297367958.db2.gz SSWJOVFGUWYHRN-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000339639893 297368103 /nfs/dbraw/zinc/36/81/03/297368103.db2.gz VZGOPLZRGJWSJS-QGZVFWFLSA-N 1 3 346.475 0.486 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCCC(=O)N1 ZINC000345142257 298120556 /nfs/dbraw/zinc/12/05/56/298120556.db2.gz AAPBSSZUIWSDML-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCCC(=O)N1 ZINC000345142257 298120558 /nfs/dbraw/zinc/12/05/58/298120558.db2.gz AAPBSSZUIWSDML-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000346198401 298237458 /nfs/dbraw/zinc/23/74/58/298237458.db2.gz YVMQUOLDHVFYNU-GJZGRUSLSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000346547654 298291485 /nfs/dbraw/zinc/29/14/85/298291485.db2.gz STNZVLJXJKEKCZ-ZBFHGGJFSA-N 1 3 338.496 0.632 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000351559685 298788020 /nfs/dbraw/zinc/78/80/20/298788020.db2.gz VGZCCTIVJQWIBH-DLBZAZTESA-N 1 3 344.459 0.808 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353393390 299045152 /nfs/dbraw/zinc/04/51/52/299045152.db2.gz AMDGABLEVZWRHG-UHFFFAOYSA-N 1 3 327.517 0.997 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353393390 299045154 /nfs/dbraw/zinc/04/51/54/299045154.db2.gz AMDGABLEVZWRHG-UHFFFAOYSA-N 1 3 327.517 0.997 20 0 ECADHO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@H]1C[C@@H](O)CN1 ZINC000364867258 300395623 /nfs/dbraw/zinc/39/56/23/300395623.db2.gz DJPDGUMXXZOHBO-UKRRQHHQSA-N 1 3 333.388 0.257 20 0 ECADHO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@@H]1C[C@@H](O)CN1 ZINC000364867256 300395812 /nfs/dbraw/zinc/39/58/12/300395812.db2.gz DJPDGUMXXZOHBO-HIFRSBDPSA-N 1 3 333.388 0.257 20 0 ECADHO COC(=O)[C@@H]1CCC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000073428142 436077149 /nfs/dbraw/zinc/07/71/49/436077149.db2.gz BETWRZFCIFBWNY-HUUCEWRRSA-N 1 3 327.469 0.918 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C[NH+]1CCCCC1 ZINC000074225706 436114233 /nfs/dbraw/zinc/11/42/33/436114233.db2.gz SJTFMQQKENBNQW-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CN(CCN1CCCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000074345167 436120401 /nfs/dbraw/zinc/12/04/01/436120401.db2.gz HDBFFQUATKUOTL-OAHLLOKOSA-N 1 3 339.484 0.311 20 0 ECADHO CN(CCN1CCCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000074345167 436120405 /nfs/dbraw/zinc/12/04/05/436120405.db2.gz HDBFFQUATKUOTL-OAHLLOKOSA-N 1 3 339.484 0.311 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000372882137 301033479 /nfs/dbraw/zinc/03/34/79/301033479.db2.gz BMTRKUYUAFCNBR-LQKXBSAESA-N 1 3 325.453 0.057 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)c1cn(C2CC[NH2+]CC2)nn1 ZINC000375977547 301224355 /nfs/dbraw/zinc/22/43/55/301224355.db2.gz YHOCDZCCDCPJPG-MRXNPFEDSA-N 1 3 340.431 0.819 20 0 ECADHO [NH3+][C@H](CC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1 ZINC000376719030 301285166 /nfs/dbraw/zinc/28/51/66/301285166.db2.gz BXBQARIOYGWROX-QZTJIDSGSA-N 1 3 346.475 0.599 20 0 ECADHO CCN(CCO)CCNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000376882083 301299612 /nfs/dbraw/zinc/29/96/12/301299612.db2.gz MZZZZMGFSYWMNK-UHFFFAOYSA-N 1 3 337.468 0.413 20 0 ECADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000377049867 301316853 /nfs/dbraw/zinc/31/68/53/301316853.db2.gz YZKQVTOPOKCDPL-SQNIBIBYSA-N 1 3 349.523 0.698 20 0 ECADHO NC(=O)CC[C@H](N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000377205674 301330638 /nfs/dbraw/zinc/33/06/38/301330638.db2.gz CCHVZIYBTVDZAZ-HNNXBMFYSA-N 1 3 330.432 0.764 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1=O ZINC000378226397 301421896 /nfs/dbraw/zinc/42/18/96/301421896.db2.gz LJXYRLQAJHJBHM-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nncn1C ZINC000516170687 301658059 /nfs/dbraw/zinc/65/80/59/301658059.db2.gz WAPLHPCDHLPVSV-AWEZNQCLSA-N 1 3 339.488 0.647 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1=O ZINC000531281228 302047322 /nfs/dbraw/zinc/04/73/22/302047322.db2.gz LEFXHVJAOPWUIG-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000536595119 302141527 /nfs/dbraw/zinc/14/15/27/302141527.db2.gz MGJCRVRQVVJHDH-WBVHZDCISA-N 1 3 342.484 0.459 20 0 ECADHO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000546568297 302246116 /nfs/dbraw/zinc/24/61/16/302246116.db2.gz KUAXPWAOCCXMKQ-SJLPKXTDSA-N 1 3 332.448 0.476 20 0 ECADHO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000546568297 302246118 /nfs/dbraw/zinc/24/61/18/302246118.db2.gz KUAXPWAOCCXMKQ-SJLPKXTDSA-N 1 3 332.448 0.476 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2CCN(CCO)CC2)C1 ZINC000121033288 436707234 /nfs/dbraw/zinc/70/72/34/436707234.db2.gz AZUSLZFLNZGYIH-KRWDZBQOSA-N 1 3 340.512 0.968 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC2CCN(CCO)CC2)C1 ZINC000121033288 436707237 /nfs/dbraw/zinc/70/72/37/436707237.db2.gz AZUSLZFLNZGYIH-KRWDZBQOSA-N 1 3 340.512 0.968 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NCC[NH2+]CCOC)cc2)CC1 ZINC000152273732 436724657 /nfs/dbraw/zinc/72/46/57/436724657.db2.gz PEXXOACNRUOWMQ-UHFFFAOYSA-N 1 3 334.464 0.794 20 0 ECADHO C[C@@H]([NH3+])C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000237454654 436736479 /nfs/dbraw/zinc/73/64/79/436736479.db2.gz HCLFINRCYGANPJ-HZPDHXFCSA-N 1 3 331.464 0.789 20 0 ECADHO CC[NH+]1CCC(NC(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000151948117 436715932 /nfs/dbraw/zinc/71/59/32/436715932.db2.gz XPFOBWNYQMKJPR-UHFFFAOYSA-N 1 3 325.501 0.798 20 0 ECADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000249468468 436821143 /nfs/dbraw/zinc/82/11/43/436821143.db2.gz SXQIBZYINFLLEC-ZIAGYGMSSA-N 1 3 328.457 0.559 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000154021247 436769357 /nfs/dbraw/zinc/76/93/57/436769357.db2.gz JUEIFPHHXOLMBW-KRWDZBQOSA-N 1 3 337.512 0.894 20 0 ECADHO CC[N@@H+]1CC[C@@H](NCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247242589 436791706 /nfs/dbraw/zinc/79/17/06/436791706.db2.gz ZBOLPCCNJKIGAQ-DLBZAZTESA-N 1 3 332.496 0.919 20 0 ECADHO CC[N@H+]1CC[C@@H](NCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247242589 436791710 /nfs/dbraw/zinc/79/17/10/436791710.db2.gz ZBOLPCCNJKIGAQ-DLBZAZTESA-N 1 3 332.496 0.919 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000155883241 436805859 /nfs/dbraw/zinc/80/58/59/436805859.db2.gz WYOZQDSDDHUBHH-GJZGRUSLSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000155883241 436805867 /nfs/dbraw/zinc/80/58/67/436805867.db2.gz WYOZQDSDDHUBHH-GJZGRUSLSA-N 1 3 326.485 0.539 20 0 ECADHO CCN1CCN(CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000279737604 436837230 /nfs/dbraw/zinc/83/72/30/436837230.db2.gz JXSRKEBNJPXDLL-UHFFFAOYSA-N 1 3 349.479 0.389 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000262193103 436914691 /nfs/dbraw/zinc/91/46/91/436914691.db2.gz RUOUQHUKWLIEEE-SFHVURJKSA-N 1 3 346.475 0.998 20 0 ECADHO Cc1cccc(N2CCN(CCC(=O)N3CCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000274846101 436882636 /nfs/dbraw/zinc/88/26/36/436882636.db2.gz XNOXSCNSPKGYBK-SFHVURJKSA-N 1 3 346.475 0.693 20 0 ECADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000162371387 436905302 /nfs/dbraw/zinc/90/53/02/436905302.db2.gz HJDHWTKTVKOPDK-DYEKYZERSA-N 1 3 330.454 0.412 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1cccn1 ZINC000174950066 437091346 /nfs/dbraw/zinc/09/13/46/437091346.db2.gz JVYMUXNJECWQDW-MRXNPFEDSA-N 1 3 336.484 0.941 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1cccn1 ZINC000174950066 437091350 /nfs/dbraw/zinc/09/13/50/437091350.db2.gz JVYMUXNJECWQDW-MRXNPFEDSA-N 1 3 336.484 0.941 20 0 ECADHO C[C@H]1CC2(CN1CC(=O)NC(=O)NCC(F)(F)F)CC[NH2+]CC2 ZINC000331509473 437108911 /nfs/dbraw/zinc/10/89/11/437108911.db2.gz BTQVLFQBSCYREL-JTQLQIEISA-N 1 3 336.358 0.839 20 0 ECADHO CN1CCC[C@@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175748642 437114528 /nfs/dbraw/zinc/11/45/28/437114528.db2.gz KRHJOLKZUZQHJP-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000332089086 437207048 /nfs/dbraw/zinc/20/70/48/437207048.db2.gz KWJQZMBMGQKUCW-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(CC1(N2CCOCC2)CCCC1)NCCCN1CC[NH2+]CC1 ZINC000237927682 303568598 /nfs/dbraw/zinc/56/85/98/303568598.db2.gz VFLCAQCWPFLISZ-UHFFFAOYSA-N 1 3 338.496 0.433 20 0 ECADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCOC2(CNC2)C1 ZINC000333608645 437278132 /nfs/dbraw/zinc/27/81/32/437278132.db2.gz QGQYWMOHJSMJFA-UHFFFAOYSA-N 1 3 345.447 0.682 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000180305653 437286227 /nfs/dbraw/zinc/28/62/27/437286227.db2.gz QZHJZOWDZAIRBI-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000180305653 437286233 /nfs/dbraw/zinc/28/62/33/437286233.db2.gz QZHJZOWDZAIRBI-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CN(C)C/C=C/C(=O)N1CCC[C@H]2CN(C(=O)/C=C/C[NH+](C)C)C[C@H]21 ZINC000267872257 437337604 /nfs/dbraw/zinc/33/76/04/437337604.db2.gz KQIBYGVKDFJKEL-SYKDAJAWSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C)C/C=C/C(=O)N1C[C@@H]2CCCN(C(=O)/C=C/C[NH+](C)C)[C@@H]2C1 ZINC000267872257 437337608 /nfs/dbraw/zinc/33/76/08/437337608.db2.gz KQIBYGVKDFJKEL-SYKDAJAWSA-N 1 3 348.491 0.671 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000339581033 437473749 /nfs/dbraw/zinc/47/37/49/437473749.db2.gz UGGHCAKNUXYBCK-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000339580439 437473962 /nfs/dbraw/zinc/47/39/62/437473962.db2.gz HPLCAXBBUCUICS-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000339584897 437475021 /nfs/dbraw/zinc/47/50/21/437475021.db2.gz MNZGBPZNJRHCDU-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000339584897 437475026 /nfs/dbraw/zinc/47/50/26/437475026.db2.gz MNZGBPZNJRHCDU-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000185812082 437451713 /nfs/dbraw/zinc/45/17/13/437451713.db2.gz CITMHBXCZTYHHO-HOTGVXAUSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000185812082 437451716 /nfs/dbraw/zinc/45/17/16/437451716.db2.gz CITMHBXCZTYHHO-HOTGVXAUSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C[NH+]1CCCC1 ZINC000339321215 437457383 /nfs/dbraw/zinc/45/73/83/437457383.db2.gz PPLGQMLNRJJLDZ-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO CO[C@H](CN)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000290186907 437469014 /nfs/dbraw/zinc/46/90/14/437469014.db2.gz PZGBBUOPHDNTTH-UKRRQHHQSA-N 1 3 334.420 0.296 20 0 ECADHO CO[C@H](CN)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000290186907 437469017 /nfs/dbraw/zinc/46/90/17/437469017.db2.gz PZGBBUOPHDNTTH-UKRRQHHQSA-N 1 3 334.420 0.296 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000343305589 437552767 /nfs/dbraw/zinc/55/27/67/437552767.db2.gz KOZVCKBGRHSLDE-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000343305589 437552773 /nfs/dbraw/zinc/55/27/73/437552773.db2.gz KOZVCKBGRHSLDE-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)CC[NH+]1CCC(CNC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188739385 437569290 /nfs/dbraw/zinc/56/92/90/437569290.db2.gz PXAUTDYECWCMKH-UHFFFAOYSA-N 1 3 334.468 0.059 20 0 ECADHO COc1cc(CNC(=O)[C@H]2C[C@H](F)CN2)ccc1OCC[NH+](C)C ZINC000188733699 437569726 /nfs/dbraw/zinc/56/97/26/437569726.db2.gz NQNLDPUHUQZUKD-UONOGXRCSA-N 1 3 339.411 0.952 20 0 ECADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1[nH]nc2c1CNCC2 ZINC000188734709 437570287 /nfs/dbraw/zinc/57/02/87/437570287.db2.gz IZWDURPANVMWDR-AWEZNQCLSA-N 1 3 327.432 0.958 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1=CCN(C)CC1 ZINC000340490129 437666624 /nfs/dbraw/zinc/66/66/24/437666624.db2.gz LPIDQZPFBRZHOZ-CQSZACIVSA-N 1 3 348.491 0.744 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000340508998 437676678 /nfs/dbraw/zinc/67/66/78/437676678.db2.gz CUHYQHJXKHOTHG-DOTOQJQBSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000340508998 437676680 /nfs/dbraw/zinc/67/66/80/437676680.db2.gz CUHYQHJXKHOTHG-DOTOQJQBSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000362950519 437763364 /nfs/dbraw/zinc/76/33/64/437763364.db2.gz DFTMRPXOZOQJCN-KFWWJZLASA-N 1 3 345.509 0.152 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000362950519 437763367 /nfs/dbraw/zinc/76/33/67/437763367.db2.gz DFTMRPXOZOQJCN-KFWWJZLASA-N 1 3 345.509 0.152 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC1 ZINC000423595147 437770207 /nfs/dbraw/zinc/77/02/07/437770207.db2.gz PLLHTAHEYSLRLE-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCC([NH3+])CC2)ccc1OCCN(C)C ZINC000415264654 437771195 /nfs/dbraw/zinc/77/11/95/437771195.db2.gz JDGVUNPARQNEQV-UHFFFAOYSA-N 1 3 348.447 0.824 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)C[NH+]1CCCC1 ZINC000340801833 437738563 /nfs/dbraw/zinc/73/85/63/437738563.db2.gz RRYUHBIKVZMZRV-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H](O)CN1CCOCC1 ZINC000344143356 437739343 /nfs/dbraw/zinc/73/93/43/437739343.db2.gz BIKUYPNBGSMMBN-SFHVURJKSA-N 1 3 342.528 0.029 20 0 ECADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H](O)CN1CCOCC1 ZINC000344143356 437739348 /nfs/dbraw/zinc/73/93/48/437739348.db2.gz BIKUYPNBGSMMBN-SFHVURJKSA-N 1 3 342.528 0.029 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340808939 437741371 /nfs/dbraw/zinc/74/13/71/437741371.db2.gz YMDOAPSNKXGCKJ-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340808939 437741374 /nfs/dbraw/zinc/74/13/74/437741374.db2.gz YMDOAPSNKXGCKJ-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)OCCN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000362568854 437744449 /nfs/dbraw/zinc/74/44/49/437744449.db2.gz MENUZRVODSBEJL-CQSZACIVSA-N 1 3 335.452 0.669 20 0 ECADHO COCC[C@@]1(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)CC[NH2+]C1 ZINC000370656904 437817643 /nfs/dbraw/zinc/81/76/43/437817643.db2.gz FZQGDVVWIXGLDU-KRWDZBQOSA-N 1 3 344.419 0.885 20 0 ECADHO COCCNCCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000415540332 437817915 /nfs/dbraw/zinc/81/79/15/437817915.db2.gz OELVWVZQRZXYPX-UHFFFAOYSA-N 1 3 336.436 0.347 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000423743211 437821386 /nfs/dbraw/zinc/82/13/86/437821386.db2.gz JSXLFBMYDTYVKS-HZPDHXFCSA-N 1 3 349.479 0.990 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423745320 437822688 /nfs/dbraw/zinc/82/26/88/437822688.db2.gz MFBQVTRKFPXGHB-SJORKVTESA-N 1 3 349.479 0.990 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423759880 437827058 /nfs/dbraw/zinc/82/70/58/437827058.db2.gz PTVDHYYXXFLWJB-HIFRSBDPSA-N 1 3 325.453 0.766 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000415370181 437792146 /nfs/dbraw/zinc/79/21/46/437792146.db2.gz QBCGIMGUOFDDQH-UHFFFAOYSA-N 1 3 347.463 0.493 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000415383925 437793226 /nfs/dbraw/zinc/79/32/26/437793226.db2.gz YMXILPJAEMJZLK-OAHLLOKOSA-N 1 3 348.447 0.776 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415429049 437803405 /nfs/dbraw/zinc/80/34/05/437803405.db2.gz ARBJCUGPCVFEKI-OAHLLOKOSA-N 1 3 336.436 0.665 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000415434073 437803417 /nfs/dbraw/zinc/80/34/17/437803417.db2.gz AOUZHGRTKDVLGN-CZUORRHYSA-N 1 3 348.447 0.761 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN3CCC2CC3)C1 ZINC000341193769 437812056 /nfs/dbraw/zinc/81/20/56/437812056.db2.gz PSGBUUVAHZWTHJ-AWEZNQCLSA-N 1 3 337.468 0.063 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN3CCC2CC3)C1 ZINC000341193769 437812061 /nfs/dbraw/zinc/81/20/61/437812061.db2.gz PSGBUUVAHZWTHJ-AWEZNQCLSA-N 1 3 337.468 0.063 20 0 ECADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000370650643 437814270 /nfs/dbraw/zinc/81/42/70/437814270.db2.gz FGPIROPBWXAHDB-BRWVUGGUSA-N 1 3 338.496 0.239 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1=O ZINC000423974069 437867386 /nfs/dbraw/zinc/86/73/86/437867386.db2.gz RPGQTZSMURDGKO-IRXDYDNUSA-N 1 3 346.475 0.993 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)c1 ZINC000415863196 437874023 /nfs/dbraw/zinc/87/40/23/437874023.db2.gz GMSYSEOQABWBTJ-HNNXBMFYSA-N 1 3 348.447 0.824 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000415873398 437876499 /nfs/dbraw/zinc/87/64/99/437876499.db2.gz UTPZLXUCMZEWQT-HNNXBMFYSA-N 1 3 348.447 0.824 20 0 ECADHO O=C(CCOC1C[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423836734 437841679 /nfs/dbraw/zinc/84/16/79/437841679.db2.gz AOIXNUVTTFYGCI-SFHVURJKSA-N 1 3 347.459 0.772 20 0 ECADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415767934 437856755 /nfs/dbraw/zinc/85/67/55/437856755.db2.gz ZKEXDPIZFRQTNP-ZSHCYNCHSA-N 1 3 330.432 0.801 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000415777450 437858788 /nfs/dbraw/zinc/85/87/88/437858788.db2.gz CTZQALPVAQKKDE-AWEZNQCLSA-N 1 3 347.463 0.621 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])c2)CC1 ZINC000415803378 437861805 /nfs/dbraw/zinc/86/18/05/437861805.db2.gz IHRVESBNRNFXDZ-KBPBESRZSA-N 1 3 347.463 0.619 20 0 ECADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424046967 437883920 /nfs/dbraw/zinc/88/39/20/437883920.db2.gz SRYZPUZSRJKENE-ZWKOTPCHSA-N 1 3 344.459 0.398 20 0 ECADHO NC(=O)CC[C@@H](N)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000365277206 437887660 /nfs/dbraw/zinc/88/76/60/437887660.db2.gz SXQVHERMHGVKII-CYBMUJFWSA-N 1 3 342.509 0.447 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000357029217 437892054 /nfs/dbraw/zinc/89/20/54/437892054.db2.gz SBMZPVUJWBBLPV-MQVJKMGUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000357029217 437892056 /nfs/dbraw/zinc/89/20/56/437892056.db2.gz SBMZPVUJWBBLPV-MQVJKMGUSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1=CCN(C)CC1 ZINC000357041552 437893915 /nfs/dbraw/zinc/89/39/15/437893915.db2.gz POBWCVHNUZZCBV-HZTRTUMWSA-N 1 3 348.491 0.885 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1=CCN(C)CC1 ZINC000357041552 437893917 /nfs/dbraw/zinc/89/39/17/437893917.db2.gz POBWCVHNUZZCBV-HZTRTUMWSA-N 1 3 348.491 0.885 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371231534 437903243 /nfs/dbraw/zinc/90/32/43/437903243.db2.gz WSDWGWVNOVMWSA-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000371270326 437909034 /nfs/dbraw/zinc/90/90/34/437909034.db2.gz DRPOTZLBABPWGE-ZBFHGGJFSA-N 1 3 348.495 0.614 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1)N(C)C1CC1 ZINC000342055069 437954922 /nfs/dbraw/zinc/95/49/22/437954922.db2.gz LPDVFCRBEZKQMP-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000357354087 437969259 /nfs/dbraw/zinc/96/92/59/437969259.db2.gz FWFDRHKMVBNGDH-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](C[NH3+])NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417015969 438013838 /nfs/dbraw/zinc/01/38/38/438013838.db2.gz HSKWOPBYCKRXNF-MRXNPFEDSA-N 1 3 333.480 0.841 20 0 ECADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)C1 ZINC000372098826 438032665 /nfs/dbraw/zinc/03/26/65/438032665.db2.gz OATBRRHOBUEAMZ-ROUUACIJSA-N 1 3 330.476 0.795 20 0 ECADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)C1 ZINC000372098826 438032669 /nfs/dbraw/zinc/03/26/69/438032669.db2.gz OATBRRHOBUEAMZ-ROUUACIJSA-N 1 3 330.476 0.795 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000417372277 438043808 /nfs/dbraw/zinc/04/38/08/438043808.db2.gz YPTNVLMRXHNWKG-INIZCTEOSA-N 1 3 346.479 0.645 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NCC[C@H]2CC[NH2+]C2)ccn1 ZINC000417954426 438095326 /nfs/dbraw/zinc/09/53/26/438095326.db2.gz QOQNZONXYVBEJZ-CQSZACIVSA-N 1 3 335.452 0.821 20 0 ECADHO CC[NH2+]CCNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417479306 438054603 /nfs/dbraw/zinc/05/46/03/438054603.db2.gz SZAFCNZNPAHDKA-UHFFFAOYSA-N 1 3 335.452 0.387 20 0 ECADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000342753704 438056734 /nfs/dbraw/zinc/05/67/34/438056734.db2.gz HGIOMLXKNASEPL-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)N(C)Cc1ccccc1 ZINC000417577771 438061878 /nfs/dbraw/zinc/06/18/78/438061878.db2.gz KCXVFRDDHUPIKV-RDJZCZTQSA-N 1 3 333.480 0.710 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366411275 438069773 /nfs/dbraw/zinc/06/97/73/438069773.db2.gz IGLZSTIAUNAEAF-WMZOPIPTSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366411275 438069779 /nfs/dbraw/zinc/06/97/79/438069779.db2.gz IGLZSTIAUNAEAF-WMZOPIPTSA-N 1 3 337.512 0.750 20 0 ECADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417754540 438075226 /nfs/dbraw/zinc/07/52/26/438075226.db2.gz PRXHUQTUTCMNPI-HZPDHXFCSA-N 1 3 326.485 0.986 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC000348924942 438115112 /nfs/dbraw/zinc/11/51/12/438115112.db2.gz XAPIKLOWLQCUPP-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC000348924942 438115114 /nfs/dbraw/zinc/11/51/14/438115114.db2.gz XAPIKLOWLQCUPP-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000372911962 438117347 /nfs/dbraw/zinc/11/73/47/438117347.db2.gz NTZGVXKOQPINDR-HDEZJCGLSA-N 1 3 339.480 0.447 20 0 ECADHO C[NH2+]CCCNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418276458 438123246 /nfs/dbraw/zinc/12/32/46/438123246.db2.gz FPFKJUGATOIIIA-GOSISDBHSA-N 1 3 334.464 0.874 20 0 ECADHO CN(C)CCOc1ccccc1N1CCN(C(=O)NCC[NH3+])CC1 ZINC000418299656 438126563 /nfs/dbraw/zinc/12/65/63/438126563.db2.gz UBMZNVSGQXMBHI-UHFFFAOYSA-N 1 3 335.452 0.417 20 0 ECADHO O=C(CNC(=O)NCC[C@H]1CC[NH2+]C1)NCCN1CCCCCC1 ZINC000418347523 438134045 /nfs/dbraw/zinc/13/40/45/438134045.db2.gz VVKMAEOAAHWTDZ-OAHLLOKOSA-N 1 3 339.484 0.277 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418423651 438143399 /nfs/dbraw/zinc/14/33/99/438143399.db2.gz JNTLLUPXQYSSFR-PMPSAXMXSA-N 1 3 325.501 0.829 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418691326 438176333 /nfs/dbraw/zinc/17/63/33/438176333.db2.gz DOUDQLGIMHLXFE-IXDOHACOSA-N 1 3 334.464 0.906 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCC[NH2+]C)C1 ZINC000418854991 438218557 /nfs/dbraw/zinc/21/85/57/438218557.db2.gz CPOLQPUHFISCDY-AWEZNQCLSA-N 1 3 326.485 0.729 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000418858294 438220284 /nfs/dbraw/zinc/22/02/84/438220284.db2.gz JAOLKCFNWQTQOY-HZPDHXFCSA-N 1 3 332.448 0.745 20 0 ECADHO C[C@H]([C@H](C)NC(=O)CCCN1CCC([NH3+])CC1)N1CCOCC1 ZINC000433121134 438224272 /nfs/dbraw/zinc/22/42/72/438224272.db2.gz QLCFZAROQXEJLK-LSDHHAIUSA-N 1 3 326.485 0.415 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000418867701 438226319 /nfs/dbraw/zinc/22/63/19/438226319.db2.gz MNXSLNQYUNGTOF-INIZCTEOSA-N 1 3 338.496 0.858 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433158876 438226409 /nfs/dbraw/zinc/22/64/09/438226409.db2.gz KVDRKXXSPFMROP-INIZCTEOSA-N 1 3 339.528 0.332 20 0 ECADHO CCN1CCN(CCCNC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433157399 438228040 /nfs/dbraw/zinc/22/80/40/438228040.db2.gz GEIVUCJPJWVPPJ-UHFFFAOYSA-N 1 3 339.528 0.334 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418875605 438230316 /nfs/dbraw/zinc/23/03/16/438230316.db2.gz KXJBEJWCEDUPAM-BBWFWOEESA-N 1 3 346.475 0.662 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[C@H]1[NH3+] ZINC000418876188 438233141 /nfs/dbraw/zinc/23/31/41/438233141.db2.gz LTKWNJMSIKMIMO-HYVNUMGLSA-N 1 3 346.475 0.471 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N(CCN)Cc2ccccc2)CCCC1 ZINC000418823875 438202076 /nfs/dbraw/zinc/20/20/76/438202076.db2.gz COJXSJRBZAQNCN-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC000350204877 438202895 /nfs/dbraw/zinc/20/28/95/438202895.db2.gz GFPVYIQQZNXRGG-CQSZACIVSA-N 1 3 326.441 0.361 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418829292 438205036 /nfs/dbraw/zinc/20/50/36/438205036.db2.gz DLKCOEBAZZBJDS-IRXDYDNUSA-N 1 3 346.475 0.486 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000418973876 438268993 /nfs/dbraw/zinc/26/89/93/438268993.db2.gz AXEAPLROIVQPOE-ZBFHGGJFSA-N 1 3 338.496 0.858 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000418973876 438268996 /nfs/dbraw/zinc/26/89/96/438268996.db2.gz AXEAPLROIVQPOE-ZBFHGGJFSA-N 1 3 338.496 0.858 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418981465 438270618 /nfs/dbraw/zinc/27/06/18/438270618.db2.gz GQQIVJGNYWZRHL-GOEBONIOSA-N 1 3 332.448 0.651 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418981465 438270620 /nfs/dbraw/zinc/27/06/20/438270620.db2.gz GQQIVJGNYWZRHL-GOEBONIOSA-N 1 3 332.448 0.651 20 0 ECADHO N[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000419000173 438278635 /nfs/dbraw/zinc/27/86/35/438278635.db2.gz OADKZZNFGBNBPX-INIZCTEOSA-N 1 3 332.448 0.795 20 0 ECADHO CN(CCCNC(=O)C(=O)N(C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000419002596 438281935 /nfs/dbraw/zinc/28/19/35/438281935.db2.gz PTLAAQULMATDHX-UHFFFAOYSA-N 1 3 346.475 0.835 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419023190 438293448 /nfs/dbraw/zinc/29/34/48/438293448.db2.gz JGKUVODHEVFYBO-ZNMIVQPWSA-N 1 3 338.496 0.727 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419023503 438293497 /nfs/dbraw/zinc/29/34/97/438293497.db2.gz JUBMOUIVETYJDS-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351684177 438318473 /nfs/dbraw/zinc/31/84/73/438318473.db2.gz PYYFZWACKUACPL-GJZGRUSLSA-N 1 3 326.485 0.774 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000419098903 438318677 /nfs/dbraw/zinc/31/86/77/438318677.db2.gz CUWSBXCSNRZUQV-GDBMZVCRSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000419118320 438328328 /nfs/dbraw/zinc/32/83/28/438328328.db2.gz IKNBJSJXDNAOGC-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@H](CN)C1CC1)[NH+]1CCCCCC1 ZINC000419125133 438333967 /nfs/dbraw/zinc/33/39/67/438333967.db2.gz JFJHEQYYSCGWEV-HZPDHXFCSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCCN(C)C)C[C@H]1[NH3+] ZINC000419131793 438337313 /nfs/dbraw/zinc/33/73/13/438337313.db2.gz DKOKXEVWHYZYGQ-UKRRQHHQSA-N 1 3 348.447 0.049 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419033662 438298772 /nfs/dbraw/zinc/29/87/72/438298772.db2.gz YNNPFLZOPJVXLH-BARDWOONSA-N 1 3 326.485 0.583 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419078796 438314249 /nfs/dbraw/zinc/31/42/49/438314249.db2.gz LQIRHTHTNVAJIQ-ARFHVFGLSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000419156619 438347944 /nfs/dbraw/zinc/34/79/44/438347944.db2.gz TVJVRUGUXQZCFV-JKSUJKDBSA-N 1 3 340.512 0.960 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000419156619 438347947 /nfs/dbraw/zinc/34/79/47/438347947.db2.gz TVJVRUGUXQZCFV-JKSUJKDBSA-N 1 3 340.512 0.960 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431695 438358520 /nfs/dbraw/zinc/35/85/20/438358520.db2.gz XQPYKMQYIVANEH-OWCLPIDISA-N 1 3 340.512 0.960 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431695 438358525 /nfs/dbraw/zinc/35/85/25/438358525.db2.gz XQPYKMQYIVANEH-OWCLPIDISA-N 1 3 340.512 0.960 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419693689 438366959 /nfs/dbraw/zinc/36/69/59/438366959.db2.gz IGUNDFZBOXBIJQ-BZUAXINKSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419696545 438367023 /nfs/dbraw/zinc/36/70/23/438367023.db2.gz OTSJTNWYYVALBM-JSGCOSHPSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419696545 438367028 /nfs/dbraw/zinc/36/70/28/438367028.db2.gz OTSJTNWYYVALBM-JSGCOSHPSA-N 1 3 340.468 0.206 20 0 ECADHO CN(CC(=O)NCc1cccnc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378292821 438371815 /nfs/dbraw/zinc/37/18/15/438371815.db2.gz LCMXVTLOLZIKHG-GOSISDBHSA-N 1 3 345.491 0.798 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419776292 438372425 /nfs/dbraw/zinc/37/24/25/438372425.db2.gz LOLUKYWQPNOPFY-HNNXBMFYSA-N 1 3 336.480 0.649 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419776462 438372584 /nfs/dbraw/zinc/37/25/84/438372584.db2.gz MDQPCYQAGUCXOX-KKUMJFAQSA-N 1 3 338.496 0.857 20 0 ECADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419978099 438378983 /nfs/dbraw/zinc/37/89/83/438378983.db2.gz NSIWAZWXKHHIPH-HOTGVXAUSA-N 1 3 336.480 0.579 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420073049 438385713 /nfs/dbraw/zinc/38/57/13/438385713.db2.gz XWPMAMLUIITFGO-XHSDSOJGSA-N 1 3 336.480 0.707 20 0 ECADHO COC(=O)CC1(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000420327289 438400265 /nfs/dbraw/zinc/40/02/65/438400265.db2.gz YKTQFYSDVMWTHV-HUUCEWRRSA-N 1 3 337.464 0.910 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000421506004 438490663 /nfs/dbraw/zinc/49/06/63/438490663.db2.gz CCPCHZKGNQEVRI-HZPDHXFCSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000421506004 438490667 /nfs/dbraw/zinc/49/06/67/438490667.db2.gz CCPCHZKGNQEVRI-HZPDHXFCSA-N 1 3 338.496 0.683 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@@H]1C ZINC000422113683 438520172 /nfs/dbraw/zinc/52/01/72/438520172.db2.gz IADIISNSVQNGJF-JYJNAYRXSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@@H]1C ZINC000422113683 438520179 /nfs/dbraw/zinc/52/01/79/438520179.db2.gz IADIISNSVQNGJF-JYJNAYRXSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000422121887 438524110 /nfs/dbraw/zinc/52/41/10/438524110.db2.gz RUFUQRQPLZGHEM-XHSDSOJGSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000422121887 438524113 /nfs/dbraw/zinc/52/41/13/438524113.db2.gz RUFUQRQPLZGHEM-XHSDSOJGSA-N 1 3 338.496 0.728 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422290390 438546071 /nfs/dbraw/zinc/54/60/71/438546071.db2.gz APSZNZRGZBRZJQ-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422290390 438546075 /nfs/dbraw/zinc/54/60/75/438546075.db2.gz APSZNZRGZBRZJQ-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000422434866 438569280 /nfs/dbraw/zinc/56/92/80/438569280.db2.gz QXQSQMAFLHLDLV-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000422434866 438569284 /nfs/dbraw/zinc/56/92/84/438569284.db2.gz QXQSQMAFLHLDLV-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422455469 438573602 /nfs/dbraw/zinc/57/36/02/438573602.db2.gz OLBVAHZNQLOWNF-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422455469 438573606 /nfs/dbraw/zinc/57/36/06/438573606.db2.gz OLBVAHZNQLOWNF-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000422495644 438580247 /nfs/dbraw/zinc/58/02/47/438580247.db2.gz SOESBJDNUVXJKZ-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000422495644 438580249 /nfs/dbraw/zinc/58/02/49/438580249.db2.gz SOESBJDNUVXJKZ-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410432240 438584114 /nfs/dbraw/zinc/58/41/14/438584114.db2.gz JNFOKIBBQJLLCZ-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410432240 438584115 /nfs/dbraw/zinc/58/41/15/438584115.db2.gz JNFOKIBBQJLLCZ-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000422983556 438624368 /nfs/dbraw/zinc/62/43/68/438624368.db2.gz ZYEJWYRASSUAPI-TVFCKZIOSA-N 1 3 325.497 0.826 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422989072 438626304 /nfs/dbraw/zinc/62/63/04/438626304.db2.gz LNPMMVSVSVTARC-HRCADAONSA-N 1 3 348.495 0.997 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)[C@H](C)C1 ZINC000410732676 438645075 /nfs/dbraw/zinc/64/50/75/438645075.db2.gz SSCQXOUZFLYXCZ-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)[C@H](C)C1 ZINC000410732676 438645080 /nfs/dbraw/zinc/64/50/80/438645080.db2.gz SSCQXOUZFLYXCZ-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423201596 438648260 /nfs/dbraw/zinc/64/82/60/438648260.db2.gz JAWVQOWDQDBWBP-HNNXBMFYSA-N 1 3 336.411 0.276 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000423204547 438648360 /nfs/dbraw/zinc/64/83/60/438648360.db2.gz URCFEOVETFDCQH-HOTGVXAUSA-N 1 3 336.480 0.661 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC000423259192 438655064 /nfs/dbraw/zinc/65/50/64/438655064.db2.gz DEEFYGSAXZVSRN-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000410777819 438655220 /nfs/dbraw/zinc/65/52/20/438655220.db2.gz CZIJIRUCJPLJDD-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000410777819 438655222 /nfs/dbraw/zinc/65/52/22/438655222.db2.gz CZIJIRUCJPLJDD-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422822951 438609047 /nfs/dbraw/zinc/60/90/47/438609047.db2.gz CALUSEKHUROHFQ-IRXDYDNUSA-N 1 3 332.496 0.966 20 0 ECADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422822950 438609284 /nfs/dbraw/zinc/60/92/84/438609284.db2.gz CALUSEKHUROHFQ-IAGOWNOFSA-N 1 3 332.496 0.966 20 0 ECADHO Cc1ccc([C@H](CNC(=O)c2cn(CCC[NH3+])nn2)N(C)C)cc1 ZINC000423349956 438665558 /nfs/dbraw/zinc/66/55/58/438665558.db2.gz XYJJJECRSBOFDL-INIZCTEOSA-N 1 3 330.436 0.968 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423377026 438668744 /nfs/dbraw/zinc/66/87/44/438668744.db2.gz VNRABYPXKMONMI-ZDUSSCGKSA-N 1 3 338.477 0.588 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423558584 438687888 /nfs/dbraw/zinc/68/78/88/438687888.db2.gz ODFHXVWJPOMBQG-ZXFNITATSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CN1C1CC1 ZINC000414181057 438700154 /nfs/dbraw/zinc/70/01/54/438700154.db2.gz BSDUEJZEIQBMDX-SJORKVTESA-N 1 3 336.524 0.998 20 0 ECADHO CN1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)C[C@H]21 ZINC000453943265 438703025 /nfs/dbraw/zinc/70/30/25/438703025.db2.gz WOAWNSRVHITUIK-DOTOQJQBSA-N 1 3 344.459 0.892 20 0 ECADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000575029048 438733856 /nfs/dbraw/zinc/73/38/56/438733856.db2.gz GNUQHBGHWNSBJK-HOTGVXAUSA-N 1 3 336.480 0.722 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000575174716 438740862 /nfs/dbraw/zinc/74/08/62/438740862.db2.gz PSWQLSFIKDYTFY-HYVNUMGLSA-N 1 3 348.495 0.834 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000575174716 438740865 /nfs/dbraw/zinc/74/08/65/438740865.db2.gz PSWQLSFIKDYTFY-HYVNUMGLSA-N 1 3 348.495 0.834 20 0 ECADHO C[C@@H](C[C@@H]1CCCO1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000557314918 438798872 /nfs/dbraw/zinc/79/88/72/438798872.db2.gz LBSWBYYSKUYJQT-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000575932072 438760973 /nfs/dbraw/zinc/76/09/73/438760973.db2.gz AHEQYRICNJPODU-XDNAFOTISA-N 1 3 343.512 0.499 20 0 ECADHO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000575932072 438760976 /nfs/dbraw/zinc/76/09/76/438760976.db2.gz AHEQYRICNJPODU-XDNAFOTISA-N 1 3 343.512 0.499 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000554358793 438761570 /nfs/dbraw/zinc/76/15/70/438761570.db2.gz QSUHNBNOTPFLHJ-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000576399897 438780576 /nfs/dbraw/zinc/78/05/76/438780576.db2.gz RUFNSGXLRZNYBO-INIZCTEOSA-N 1 3 332.448 0.481 20 0 ECADHO N[C@H]1C[C@H]2CN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)CCN2C1=O ZINC000576481561 438785495 /nfs/dbraw/zinc/78/54/95/438785495.db2.gz ZZZRUSCXOLQLEN-PMPSAXMXSA-N 1 3 336.480 0.835 20 0 ECADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497277053 438787874 /nfs/dbraw/zinc/78/78/74/438787874.db2.gz ICXWBVUNLWFJRO-ZIAGYGMSSA-N 1 3 331.457 0.164 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nnc(C2CC2)s1 ZINC000577130650 438816863 /nfs/dbraw/zinc/81/68/63/438816863.db2.gz LIOPWGSKYVMVOZ-UHFFFAOYSA-N 1 3 326.470 1.373 20 0 ECADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000514616449 438817471 /nfs/dbraw/zinc/81/74/71/438817471.db2.gz OZYABBDXPCCUIA-RDBSUJKOSA-N 1 3 325.457 0.060 20 0 ECADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000514616449 438817476 /nfs/dbraw/zinc/81/74/76/438817476.db2.gz OZYABBDXPCCUIA-RDBSUJKOSA-N 1 3 325.457 0.060 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000577172544 438817735 /nfs/dbraw/zinc/81/77/35/438817735.db2.gz ZJGMPBFTKHKMBS-DZGCQCFKSA-N 1 3 343.427 0.717 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000577172544 438817738 /nfs/dbraw/zinc/81/77/38/438817738.db2.gz ZJGMPBFTKHKMBS-DZGCQCFKSA-N 1 3 343.427 0.717 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000577172544 438817742 /nfs/dbraw/zinc/81/77/42/438817742.db2.gz ZJGMPBFTKHKMBS-DZGCQCFKSA-N 1 3 343.427 0.717 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000577165594 438818164 /nfs/dbraw/zinc/81/81/64/438818164.db2.gz NPRLVXGZGKRDNO-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1C[C@H](CCNC(=O)C(=O)NC2CNC2)C[N@@H+]1Cc1ccccc1 ZINC000577209173 438823595 /nfs/dbraw/zinc/82/35/95/438823595.db2.gz SXWPYNOSBWKBDB-HOCLYGCPSA-N 1 3 344.459 0.491 20 0 ECADHO C[C@H]1C[C@H](CCNC(=O)C(=O)NC2CNC2)C[N@H+]1Cc1ccccc1 ZINC000577209173 438823602 /nfs/dbraw/zinc/82/36/02/438823602.db2.gz SXWPYNOSBWKBDB-HOCLYGCPSA-N 1 3 344.459 0.491 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000515016600 438843579 /nfs/dbraw/zinc/84/35/79/438843579.db2.gz MYIBUGCLOUPMBZ-HYVNUMGLSA-N 1 3 348.491 0.672 20 0 ECADHO O=C(NC1CCCCC1)NC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000564989381 438901483 /nfs/dbraw/zinc/90/14/83/438901483.db2.gz ZRLCXZAIPYKNJC-UHFFFAOYSA-N 1 3 337.512 0.988 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595961883 438902941 /nfs/dbraw/zinc/90/29/41/438902941.db2.gz VYPXDIAXXVDYMQ-CVEARBPZSA-N 1 3 349.431 0.150 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595961883 438902947 /nfs/dbraw/zinc/90/29/47/438902947.db2.gz VYPXDIAXXVDYMQ-CVEARBPZSA-N 1 3 349.431 0.150 20 0 ECADHO CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC000565183647 438923364 /nfs/dbraw/zinc/92/33/64/438923364.db2.gz YCJMAZRKPMDOJR-HRCADAONSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC000565183647 438923367 /nfs/dbraw/zinc/92/33/67/438923367.db2.gz YCJMAZRKPMDOJR-HRCADAONSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000565183647 438923372 /nfs/dbraw/zinc/92/33/72/438923372.db2.gz YCJMAZRKPMDOJR-HRCADAONSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000565183647 438923377 /nfs/dbraw/zinc/92/33/77/438923377.db2.gz YCJMAZRKPMDOJR-HRCADAONSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000516857008 438929530 /nfs/dbraw/zinc/92/95/30/438929530.db2.gz VGPQHODRUVJKAD-OLMNGRFOSA-N 1 3 336.480 0.419 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[NH+](C)C ZINC000459040683 438938964 /nfs/dbraw/zinc/93/89/64/438938964.db2.gz MJBOIBSPWMFJMW-HNNXBMFYSA-N 1 3 348.495 0.925 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459367032 438959006 /nfs/dbraw/zinc/95/90/06/438959006.db2.gz UYNPVMOCJFZUPU-KGLIPLIRSA-N 1 3 326.441 0.359 20 0 ECADHO C[C@H](CN1CCOCC1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000517373284 438963289 /nfs/dbraw/zinc/96/32/89/438963289.db2.gz XNJBOAOZKFWXDN-IKGGRYGDSA-N 1 3 338.496 0.287 20 0 ECADHO COCCN(C)CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000517563489 438969095 /nfs/dbraw/zinc/96/90/95/438969095.db2.gz HDGHZNMREOCCCC-QGZVFWFLSA-N 1 3 334.464 0.988 20 0 ECADHO COCCN(C)CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000517563489 438969100 /nfs/dbraw/zinc/96/91/00/438969100.db2.gz HDGHZNMREOCCCC-QGZVFWFLSA-N 1 3 334.464 0.988 20 0 ECADHO CN1CCN(c2cc(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)ccn2)CC1 ZINC000566089696 439004837 /nfs/dbraw/zinc/00/48/37/439004837.db2.gz LDBOJKMESPHTFF-IEBWSBKVSA-N 1 3 345.491 0.690 20 0 ECADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@H](O)Cn1cccn1 ZINC000519646930 439050052 /nfs/dbraw/zinc/05/00/52/439050052.db2.gz FFNIBVCVZCPZCQ-MOPGFXCFSA-N 1 3 344.459 0.991 20 0 ECADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNC[C@H](O)Cn1cccn1 ZINC000519646930 439050054 /nfs/dbraw/zinc/05/00/54/439050054.db2.gz FFNIBVCVZCPZCQ-MOPGFXCFSA-N 1 3 344.459 0.991 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000579607481 439024181 /nfs/dbraw/zinc/02/41/81/439024181.db2.gz LQHZCIPQRSZRBE-CAOSSQGBSA-N 1 3 334.464 0.140 20 0 ECADHO C[NH+](C)CC1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000579735655 439035871 /nfs/dbraw/zinc/03/58/71/439035871.db2.gz JRUCCZPRXHJWMP-NEXFUWMNSA-N 1 3 337.468 0.060 20 0 ECADHO CCN(C(=O)C(=O)NC1C[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000566787645 439087873 /nfs/dbraw/zinc/08/78/73/439087873.db2.gz YQFAHUMKQUUKAI-WMLDXEAASA-N 1 3 344.459 0.758 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000520793667 439093854 /nfs/dbraw/zinc/09/38/54/439093854.db2.gz DTXRGASWBHXDEZ-ARFHVFGLSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000567146327 439118825 /nfs/dbraw/zinc/11/88/25/439118825.db2.gz FOCKCZALWBZNOC-MRXNPFEDSA-N 1 3 349.479 0.411 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000580172063 439069498 /nfs/dbraw/zinc/06/94/98/439069498.db2.gz PVJDPKOERKNFTJ-RDJZCZTQSA-N 1 3 333.480 0.791 20 0 ECADHO CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000591736723 439076975 /nfs/dbraw/zinc/07/69/75/439076975.db2.gz KFJVBLCIOPMJSN-GOEBONIOSA-N 1 3 327.469 0.449 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000460081691 439077165 /nfs/dbraw/zinc/07/71/65/439077165.db2.gz MMJBHIWGRKRFCZ-GOSISDBHSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000460081691 439077168 /nfs/dbraw/zinc/07/71/68/439077168.db2.gz MMJBHIWGRKRFCZ-GOSISDBHSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCCN1 ZINC000566732181 439084126 /nfs/dbraw/zinc/08/41/26/439084126.db2.gz BCQROULVSXSGJZ-HZPDHXFCSA-N 1 3 346.479 0.636 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000566728535 439084598 /nfs/dbraw/zinc/08/45/98/439084598.db2.gz AGEIZTQDYOASDU-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000567246953 439125331 /nfs/dbraw/zinc/12/53/31/439125331.db2.gz AHTPQXZGFJVILG-NXHRZFHOSA-N 1 3 345.491 0.710 20 0 ECADHO CN(CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000567361738 439136564 /nfs/dbraw/zinc/13/65/64/439136564.db2.gz HLJVOJZOVFXJAO-GOSISDBHSA-N 1 3 345.491 0.808 20 0 ECADHO COCCn1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000522831043 439158248 /nfs/dbraw/zinc/15/82/48/439158248.db2.gz DSDXOPSRICHVFO-UHFFFAOYSA-N 1 3 326.445 0.487 20 0 ECADHO C[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)CN1CCN(C)CC1 ZINC000581069582 439165043 /nfs/dbraw/zinc/16/50/43/439165043.db2.gz JOLBGXDISQPIJY-NVXWUHKLSA-N 1 3 348.495 0.421 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000567917336 439196722 /nfs/dbraw/zinc/19/67/22/439196722.db2.gz IEJNKDYVQBXGPQ-GDBMZVCRSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CN1Cc1ccccc1 ZINC000568372823 439242386 /nfs/dbraw/zinc/24/23/86/439242386.db2.gz UIJWPNKQQREYIX-KBAYOESNSA-N 1 3 345.491 0.852 20 0 ECADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCOCC[NH+](C)C)C[C@@H](C)C1 ZINC000490225127 439259430 /nfs/dbraw/zinc/25/94/30/439259430.db2.gz UJRWJZHMFVBGNC-ARFHVFGLSA-N 1 3 326.485 0.936 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592958906 439319928 /nfs/dbraw/zinc/31/99/28/439319928.db2.gz NRQSPCGEDUCUOD-ZIAGYGMSSA-N 1 3 335.452 0.560 20 0 ECADHO CN(C)CCn1ccc(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)n1 ZINC000592959261 439322233 /nfs/dbraw/zinc/32/22/33/439322233.db2.gz QWWZCCBJGMHPRL-GFCCVEGCSA-N 1 3 331.424 0.730 20 0 ECADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582121497 439293788 /nfs/dbraw/zinc/29/37/88/439293788.db2.gz RGFHDDITLYZJCG-ZNMIVQPWSA-N 1 3 337.468 0.107 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000569576023 439346422 /nfs/dbraw/zinc/34/64/22/439346422.db2.gz CERYVOHGRRUNCB-SFHVURJKSA-N 1 3 345.491 0.855 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@H]1CN)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582775046 439378720 /nfs/dbraw/zinc/37/87/20/439378720.db2.gz LSHJXIABCCWJIM-ZMSDIMECSA-N 1 3 337.512 0.924 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@H]1CN)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582775046 439378722 /nfs/dbraw/zinc/37/87/22/439378722.db2.gz LSHJXIABCCWJIM-ZMSDIMECSA-N 1 3 337.512 0.924 20 0 ECADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000570271676 439405904 /nfs/dbraw/zinc/40/59/04/439405904.db2.gz QQLBCLFPLDXJNS-CVEARBPZSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@H](NCC(=O)N1CCNCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570035791 439386333 /nfs/dbraw/zinc/38/63/33/439386333.db2.gz USRGDETYMRYGOF-FUHWJXTLSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@H](NCC(=O)N1CCNCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570035791 439386337 /nfs/dbraw/zinc/38/63/37/439386337.db2.gz USRGDETYMRYGOF-FUHWJXTLSA-N 1 3 330.476 0.918 20 0 ECADHO CN(C[C@H](O)C[NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)C1CC1 ZINC000570332832 439411829 /nfs/dbraw/zinc/41/18/29/439411829.db2.gz XOPVUXGGDVXKEB-GUDVDZBRSA-N 1 3 333.476 0.667 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C1 ZINC000606633199 439417694 /nfs/dbraw/zinc/41/76/94/439417694.db2.gz JXEHOIGXRPHTNF-HNNXBMFYSA-N 1 3 341.500 0.032 20 0 ECADHO COCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C1 ZINC000606633199 439417698 /nfs/dbraw/zinc/41/76/98/439417698.db2.gz JXEHOIGXRPHTNF-HNNXBMFYSA-N 1 3 341.500 0.032 20 0 ECADHO COCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C1 ZINC000606633199 439417702 /nfs/dbraw/zinc/41/77/02/439417702.db2.gz JXEHOIGXRPHTNF-HNNXBMFYSA-N 1 3 341.500 0.032 20 0 ECADHO FC(F)(F)COCCCN1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000570964374 439463822 /nfs/dbraw/zinc/46/38/22/439463822.db2.gz QQCRHMWMPSZFTF-UHFFFAOYSA-N 1 3 338.418 0.478 20 0 ECADHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC3CNC3)cc2)CC1 ZINC000583612728 439487280 /nfs/dbraw/zinc/48/72/80/439487280.db2.gz KWXOPZHWAVXZEN-UHFFFAOYSA-N 1 3 330.432 0.945 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)CNCCN2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000571276974 439489741 /nfs/dbraw/zinc/48/97/41/439489741.db2.gz DQNCNHKXRKBKQM-JZXOWHBKSA-N 1 3 342.528 0.072 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C/CN(C)C)[C@@H](C)CN1C(=O)/C=C\C[NH+](C)C ZINC000492184705 439504818 /nfs/dbraw/zinc/50/48/18/439504818.db2.gz NHOLIRYDJNQVQQ-ZCXVJMECSA-N 1 3 336.480 0.670 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)[C@@H](C)CN1C(=O)/C=C\CN(C)C ZINC000492184705 439504822 /nfs/dbraw/zinc/50/48/22/439504822.db2.gz NHOLIRYDJNQVQQ-ZCXVJMECSA-N 1 3 336.480 0.670 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C(N)=O)C(C)C)CC2)CC1 ZINC000584062829 439544966 /nfs/dbraw/zinc/54/49/66/439544966.db2.gz ZEYYBDPEWAWOQC-MRXNPFEDSA-N 1 3 338.496 0.809 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000572386287 439579249 /nfs/dbraw/zinc/57/92/49/439579249.db2.gz CAQXYYQIELLGLV-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000584408947 439585146 /nfs/dbraw/zinc/58/51/46/439585146.db2.gz LGEMHFSRHNZJNK-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000492917039 439587872 /nfs/dbraw/zinc/58/78/72/439587872.db2.gz CFWFWEQRIULWSK-AATRIKPKSA-N 1 3 327.469 0.690 20 0 ECADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000573609992 439656313 /nfs/dbraw/zinc/65/63/13/439656313.db2.gz PPDGNLMXOAXDTI-FVQBIDKESA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000573699590 439661340 /nfs/dbraw/zinc/66/13/40/439661340.db2.gz VWEHGTYOBAHCKV-JKSUJKDBSA-N 1 3 339.528 0.947 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000574412690 439702856 /nfs/dbraw/zinc/70/28/56/439702856.db2.gz DNGKLEBFZMENGV-WBVHZDCISA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000612481731 439715727 /nfs/dbraw/zinc/71/57/27/439715727.db2.gz FBMLUHBTEBHNFO-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000573942721 439675242 /nfs/dbraw/zinc/67/52/42/439675242.db2.gz MTVACQOKXKSUCI-ZFWWWQNUSA-N 1 3 330.432 0.244 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000573942721 439675243 /nfs/dbraw/zinc/67/52/43/439675243.db2.gz MTVACQOKXKSUCI-ZFWWWQNUSA-N 1 3 330.432 0.244 20 0 ECADHO COC(=O)CCCCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000600711050 439693523 /nfs/dbraw/zinc/69/35/23/439693523.db2.gz QNFANRREJXUOBX-HUUCEWRRSA-N 1 3 338.452 0.550 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612974187 439747509 /nfs/dbraw/zinc/74/75/09/439747509.db2.gz OZNORFQABQEDJH-JKSUJKDBSA-N 1 3 337.512 0.701 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612978850 439748045 /nfs/dbraw/zinc/74/80/45/439748045.db2.gz YHMBTDZTBGHXDY-CABCVRRESA-N 1 3 349.479 0.077 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000612551172 439728552 /nfs/dbraw/zinc/72/85/52/439728552.db2.gz LSCFGNMYAVNKNQ-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@H+](CCCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C1CC1 ZINC000611941728 439737489 /nfs/dbraw/zinc/73/74/89/439737489.db2.gz IWFQHJBXZRVKRV-CQSZACIVSA-N 1 3 338.496 0.966 20 0 ECADHO C[N@@H+](CCCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C1CC1 ZINC000611941728 439737491 /nfs/dbraw/zinc/73/74/91/439737491.db2.gz IWFQHJBXZRVKRV-CQSZACIVSA-N 1 3 338.496 0.966 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000611957605 439739102 /nfs/dbraw/zinc/73/91/02/439739102.db2.gz WXBAEHNPMKJHNX-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000611957605 439739104 /nfs/dbraw/zinc/73/91/04/439739104.db2.gz WXBAEHNPMKJHNX-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCN(CCCCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662757723 439879797 /nfs/dbraw/zinc/87/97/97/439879797.db2.gz LSMZEZHTKRKFAY-AWEZNQCLSA-N 1 3 336.402 0.672 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NCCN(C)CCC[NH+](C)C)C1(C)C ZINC000662632169 439830408 /nfs/dbraw/zinc/83/04/08/439830408.db2.gz NPFJYXXGRDXKQU-PBHICJAKSA-N 1 3 328.501 0.519 20 0 ECADHO C[C@@H](CC(=O)N(CCN(C)C)CC(=O)N(C)C)C1CC[NH2+]CC1 ZINC000662660340 439838332 /nfs/dbraw/zinc/83/83/32/439838332.db2.gz UNDMFRDWTCQYCE-AWEZNQCLSA-N 1 3 326.485 0.491 20 0 ECADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662660013 439838651 /nfs/dbraw/zinc/83/86/51/439838651.db2.gz ASAMFVYNNJZDLU-INIZCTEOSA-N 1 3 342.447 0.626 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652399783 439838596 /nfs/dbraw/zinc/83/85/96/439838596.db2.gz FFJPKKMSOPJKOH-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662706702 439850232 /nfs/dbraw/zinc/85/02/32/439850232.db2.gz BHGSYHQGHBBCLL-JSGCOSHPSA-N 1 3 333.436 0.470 20 0 ECADHO CN(C)CCn1cc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cn1 ZINC000662700465 439852021 /nfs/dbraw/zinc/85/20/21/439852021.db2.gz IYIXCIZBEHYBKS-AWEZNQCLSA-N 1 3 346.439 0.603 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])cc1 ZINC000641821985 439925012 /nfs/dbraw/zinc/92/50/12/439925012.db2.gz QBHXHOQOOLVHGO-UHFFFAOYSA-N 1 3 336.436 0.809 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626803196 439886700 /nfs/dbraw/zinc/88/67/00/439886700.db2.gz DLRRVNFSNYGAOP-CQSZACIVSA-N 1 3 332.404 0.318 20 0 ECADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000636458824 439889865 /nfs/dbraw/zinc/88/98/65/439889865.db2.gz QNRYPKNIXOVFOE-MRXNPFEDSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)[C@H]2C1 ZINC000662807192 439897576 /nfs/dbraw/zinc/89/75/76/439897576.db2.gz XLERXKLDSQJDDR-FMKPAKJESA-N 1 3 332.452 0.759 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626825480 439899318 /nfs/dbraw/zinc/89/93/18/439899318.db2.gz WSUUECZFHYPCFS-ZDUSSCGKSA-N 1 3 348.447 0.952 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626825480 439899321 /nfs/dbraw/zinc/89/93/21/439899321.db2.gz WSUUECZFHYPCFS-ZDUSSCGKSA-N 1 3 348.447 0.952 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cncn2)nc1 ZINC000617504352 439900153 /nfs/dbraw/zinc/90/01/53/439900153.db2.gz RAJWPXPEWPXPMO-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cncn2)nc1 ZINC000617504352 439900158 /nfs/dbraw/zinc/90/01/58/439900158.db2.gz RAJWPXPEWPXPMO-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO CC[NH+]1CCC(NS(=O)(=O)CCCN2CCN(C)CC2)CC1 ZINC000631730395 439903024 /nfs/dbraw/zinc/90/30/24/439903024.db2.gz SHWANFHTPMVSSN-UHFFFAOYSA-N 1 3 332.514 0.028 20 0 ECADHO C[C@@H](CNS(=O)(=O)CCCN1CCN(C)CC1)[NH+]1CCCC1 ZINC000631740800 439907735 /nfs/dbraw/zinc/90/77/35/439907735.db2.gz IHALLAALHZIZBW-HNNXBMFYSA-N 1 3 332.514 0.028 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662837675 439910248 /nfs/dbraw/zinc/91/02/48/439910248.db2.gz JLUSQYHQZAHTLX-HOCLYGCPSA-N 1 3 332.452 0.949 20 0 ECADHO COC[C@@]1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC[NH2+]C1 ZINC000662859721 439915095 /nfs/dbraw/zinc/91/50/95/439915095.db2.gz NVSVDTMGPOMUPN-IEBWSBKVSA-N 1 3 347.459 0.496 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000626945145 439968290 /nfs/dbraw/zinc/96/82/90/439968290.db2.gz QLDZSXIVJUGLGK-MRXNPFEDSA-N 1 3 334.464 0.966 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000642329761 439972208 /nfs/dbraw/zinc/97/22/08/439972208.db2.gz IKDUMDRXQSYVPJ-FPCVCCKLSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000626975013 439975914 /nfs/dbraw/zinc/97/59/14/439975914.db2.gz ZVNZTRWBULDHIW-HIFRSBDPSA-N 1 3 339.484 0.369 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000642471649 439983629 /nfs/dbraw/zinc/98/36/29/439983629.db2.gz VJXFGZGQJLHHHN-ZBFHGGJFSA-N 1 3 346.475 0.867 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000641988312 439938420 /nfs/dbraw/zinc/93/84/20/439938420.db2.gz WGNCKYXYMNDITJ-SJORKVTESA-N 1 3 337.512 0.940 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)C1 ZINC000642030959 439940400 /nfs/dbraw/zinc/94/04/00/439940400.db2.gz PRYRAQBTQHUQIY-XDNAFOTISA-N 1 3 349.523 0.796 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636598442 439953095 /nfs/dbraw/zinc/95/30/95/439953095.db2.gz KLWZTRWJPVLSEL-GOEBONIOSA-N 1 3 338.496 0.966 20 0 ECADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCN1CC[C@H](O)C1 ZINC000636619136 439963625 /nfs/dbraw/zinc/96/36/25/439963625.db2.gz VYGIEGVAXOPNAP-IRXDYDNUSA-N 1 3 334.464 0.525 20 0 ECADHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015117 439990113 /nfs/dbraw/zinc/99/01/13/439990113.db2.gz QRUWLHPCEDHDSQ-CJNGLKHVSA-N 1 3 334.468 0.509 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CCC1 ZINC000636742660 440019179 /nfs/dbraw/zinc/01/91/79/440019179.db2.gz XYEOSCBZKGJOBR-HNNXBMFYSA-N 1 3 336.480 0.720 20 0 ECADHO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000642982568 440075955 /nfs/dbraw/zinc/07/59/55/440075955.db2.gz XLNMLPBOHKLEDO-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C)CC2 ZINC000642989114 440076804 /nfs/dbraw/zinc/07/68/04/440076804.db2.gz SOFADOLOIZNRMH-XUWVNRHRSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000642989722 440078703 /nfs/dbraw/zinc/07/87/03/440078703.db2.gz QRQRTZSGTKCBFV-XHSDSOJGSA-N 1 3 336.480 0.720 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000642898395 440053753 /nfs/dbraw/zinc/05/37/53/440053753.db2.gz VRQUOTFSUWYYIE-SJORKVTESA-N 1 3 344.459 0.573 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000642906805 440057000 /nfs/dbraw/zinc/05/70/00/440057000.db2.gz OFZJJAADDZNNJC-CABCVRRESA-N 1 3 345.447 0.235 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c(OCCN(C)C)c1 ZINC000663614079 440120475 /nfs/dbraw/zinc/12/04/75/440120475.db2.gz YYMWZPAQRMBMFG-GOSISDBHSA-N 1 3 348.447 0.742 20 0 ECADHO CC1CCN(CCNC(=O)NCCN(C)CCC[NH+](C)C)CC1 ZINC000663631639 440132312 /nfs/dbraw/zinc/13/23/12/440132312.db2.gz ZNLLGUBZMMHUMI-UHFFFAOYSA-N 1 3 327.517 0.901 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000643394465 440136546 /nfs/dbraw/zinc/13/65/46/440136546.db2.gz LFSWYVPDKZEQBZ-ZBFHGGJFSA-N 1 3 336.480 0.435 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000643394465 440136551 /nfs/dbraw/zinc/13/65/51/440136551.db2.gz LFSWYVPDKZEQBZ-ZBFHGGJFSA-N 1 3 336.480 0.435 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)[C@H]1CCN(CC)C1 ZINC000658825731 440141473 /nfs/dbraw/zinc/14/14/73/440141473.db2.gz MMFKFOQSABHBJD-MAUKXSAKSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[C@H]1CCN(CC)C1 ZINC000658825731 440141478 /nfs/dbraw/zinc/14/14/78/440141478.db2.gz MMFKFOQSABHBJD-MAUKXSAKSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000647597417 440100671 /nfs/dbraw/zinc/10/06/71/440100671.db2.gz LUMRFLAIXGGIHS-ZMSDIMECSA-N 1 3 346.475 0.961 20 0 ECADHO CCN(C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663561401 440102432 /nfs/dbraw/zinc/10/24/32/440102432.db2.gz UCLQSOYMDUEDAU-IRXDYDNUSA-N 1 3 339.528 0.994 20 0 ECADHO CCN(C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000663561401 440102434 /nfs/dbraw/zinc/10/24/34/440102434.db2.gz UCLQSOYMDUEDAU-IRXDYDNUSA-N 1 3 339.528 0.994 20 0 ECADHO CCO[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)C[C@H]1C[NH3+] ZINC000653247875 440102578 /nfs/dbraw/zinc/10/25/78/440102578.db2.gz WCYASBZAMXTZOK-HZPDHXFCSA-N 1 3 339.480 0.844 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627311790 440115450 /nfs/dbraw/zinc/11/54/50/440115450.db2.gz HRPUMFGXOOGHMZ-CQSZACIVSA-N 1 3 342.484 0.047 20 0 ECADHO CN(CCN1CC[NH2+]CC1)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000647835740 440165474 /nfs/dbraw/zinc/16/54/74/440165474.db2.gz LYLXZKQRYBEPER-GOSISDBHSA-N 1 3 347.507 0.243 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CN1C1CC1 ZINC000653426299 440167450 /nfs/dbraw/zinc/16/74/50/440167450.db2.gz NYRPDJGIDNLBHW-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000643530073 440200768 /nfs/dbraw/zinc/20/07/68/440200768.db2.gz IJUNSUWTXDEGNB-HRCADAONSA-N 1 3 348.491 0.659 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000663787951 440174908 /nfs/dbraw/zinc/17/49/08/440174908.db2.gz MPQZQWJXPSIUJS-HNNXBMFYSA-N 1 3 341.500 0.380 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000663787951 440174911 /nfs/dbraw/zinc/17/49/11/440174911.db2.gz MPQZQWJXPSIUJS-HNNXBMFYSA-N 1 3 341.500 0.380 20 0 ECADHO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494616 440186714 /nfs/dbraw/zinc/18/67/14/440186714.db2.gz OAPBZPYHJVOCSK-GVDBMIGSSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643494647 440187141 /nfs/dbraw/zinc/18/71/41/440187141.db2.gz SOUXMZMXTNYBFD-APWZRJJASA-N 1 3 348.491 0.675 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000643498741 440190108 /nfs/dbraw/zinc/19/01/08/440190108.db2.gz OBTKCJLJPBFKAM-GDBMZVCRSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643524272 440197511 /nfs/dbraw/zinc/19/75/11/440197511.db2.gz BFZCRMUADDCRTL-ZBFHGGJFSA-N 1 3 348.447 0.380 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC000643526034 440199970 /nfs/dbraw/zinc/19/99/70/440199970.db2.gz OAYGMWPWTXLEPM-OAGGEKHMSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(N)=O)cc1 ZINC000663673928 440149413 /nfs/dbraw/zinc/14/94/13/440149413.db2.gz MZKLYALPFYNYTH-AWEZNQCLSA-N 1 3 349.479 0.857 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(N)=O)cc1 ZINC000663673928 440149416 /nfs/dbraw/zinc/14/94/16/440149416.db2.gz MZKLYALPFYNYTH-AWEZNQCLSA-N 1 3 349.479 0.857 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000663690610 440152770 /nfs/dbraw/zinc/15/27/70/440152770.db2.gz ZCPIQBAEBPEOGL-CQSZACIVSA-N 1 3 339.484 0.132 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000663690610 440152775 /nfs/dbraw/zinc/15/27/75/440152775.db2.gz ZCPIQBAEBPEOGL-CQSZACIVSA-N 1 3 339.484 0.132 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627444616 440209245 /nfs/dbraw/zinc/20/92/45/440209245.db2.gz PYEROUODBPJWPE-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643591821 440214651 /nfs/dbraw/zinc/21/46/51/440214651.db2.gz ODBLOKCDXMACGW-GOEBONIOSA-N 1 3 345.447 0.459 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000619138014 440214818 /nfs/dbraw/zinc/21/48/18/440214818.db2.gz VFMFSDTZANFNOF-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCN(CC2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)CC1 ZINC000648034691 440217710 /nfs/dbraw/zinc/21/77/10/440217710.db2.gz BIERSJKHACPWRI-QGZVFWFLSA-N 1 3 332.496 0.884 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+](C)C ZINC000659073046 440227812 /nfs/dbraw/zinc/22/78/12/440227812.db2.gz ANNQFTNNSZZEEG-SWLSCSKDSA-N 1 3 334.420 0.352 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000648106795 440231828 /nfs/dbraw/zinc/23/18/28/440231828.db2.gz XWVHDCCVLAZMED-GFCCVEGCSA-N 1 3 327.392 0.323 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000643545329 440207383 /nfs/dbraw/zinc/20/73/83/440207383.db2.gz BIZCSGZAYYBRSF-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000659102796 440251218 /nfs/dbraw/zinc/25/12/18/440251218.db2.gz IPAISZRZLREPPC-KGLIPLIRSA-N 1 3 345.447 0.437 20 0 ECADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000664226518 440265962 /nfs/dbraw/zinc/26/59/62/440265962.db2.gz UEVCWLNONMYBRV-UHFFFAOYSA-N 1 3 341.500 0.522 20 0 ECADHO CC1(OCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CNC1 ZINC000659349312 440305118 /nfs/dbraw/zinc/30/51/18/440305118.db2.gz OCXFFAWNNGHVFY-IUODEOHRSA-N 1 3 339.386 0.905 20 0 ECADHO CN(C)[C@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@@H]1O ZINC000637661932 440315363 /nfs/dbraw/zinc/31/53/63/440315363.db2.gz BQDPZDVPWFYRHQ-GJZGRUSLSA-N 1 3 336.440 0.288 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659607832 440373474 /nfs/dbraw/zinc/37/34/74/440373474.db2.gz FWJUOEIFKBMGNH-FVQBIDKESA-N 1 3 340.468 0.245 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000632724886 440357600 /nfs/dbraw/zinc/35/76/00/440357600.db2.gz VRVZGLJXOORFNI-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO COC[C@@]1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000659543439 440358530 /nfs/dbraw/zinc/35/85/30/440358530.db2.gz VWVLRUBLLCTHQB-RDJZCZTQSA-N 1 3 340.468 0.308 20 0 ECADHO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)NC[C@H]1CNCCO1 ZINC000659555184 440361447 /nfs/dbraw/zinc/36/14/47/440361447.db2.gz PADVCXCCSSCZJM-IAGOWNOFSA-N 1 3 348.447 0.041 20 0 ECADHO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)NC[C@H]1CNCCO1 ZINC000659555184 440361451 /nfs/dbraw/zinc/36/14/51/440361451.db2.gz PADVCXCCSSCZJM-IAGOWNOFSA-N 1 3 348.447 0.041 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664731857 440366550 /nfs/dbraw/zinc/36/65/50/440366550.db2.gz LUXAFGCCRJJSRA-OAHLLOKOSA-N 1 3 330.473 0.317 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)ccc1OCCN(C)C ZINC000633039430 440417551 /nfs/dbraw/zinc/41/75/51/440417551.db2.gz KOKYFKYTNKIHPS-KGLIPLIRSA-N 1 3 348.447 0.822 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638075166 440425952 /nfs/dbraw/zinc/42/59/52/440425952.db2.gz CNCMMDOZKJMQTD-NXEZZACHSA-N 1 3 328.367 0.574 20 0 ECADHO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@@H]21 ZINC000659631703 440385325 /nfs/dbraw/zinc/38/53/25/440385325.db2.gz ZRDYHPRATKNKCE-AAEUAGOBSA-N 1 3 334.424 0.267 20 0 ECADHO C[N@H+]1CCC[C@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@@H]21 ZINC000659631703 440385332 /nfs/dbraw/zinc/38/53/32/440385332.db2.gz ZRDYHPRATKNKCE-AAEUAGOBSA-N 1 3 334.424 0.267 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659675588 440409866 /nfs/dbraw/zinc/40/98/66/440409866.db2.gz RWPQSPQQDJMFLU-KBPBESRZSA-N 1 3 326.485 0.727 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](O)C[C@H](O)C3)CC2)CC1 ZINC000654851116 440414210 /nfs/dbraw/zinc/41/42/10/440414210.db2.gz KPUIGOAYIYICFF-CALCHBBNSA-N 1 3 339.480 0.137 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000649332210 440469479 /nfs/dbraw/zinc/46/94/79/440469479.db2.gz GXEKDXZCQCWPOH-FVQHAEBGSA-N 1 3 342.443 0.916 20 0 ECADHO CO[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000665481716 440475848 /nfs/dbraw/zinc/47/58/48/440475848.db2.gz SRAWQLOLCGKKCJ-HUUCEWRRSA-N 1 3 330.473 0.173 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347423 440479101 /nfs/dbraw/zinc/47/91/01/440479101.db2.gz WHQZLHNNOLRQTA-KGLIPLIRSA-N 1 3 346.431 0.210 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](CN)C1 ZINC000659698210 440432255 /nfs/dbraw/zinc/43/22/55/440432255.db2.gz BAWCVWUWLBLJBK-LMPOIIKSSA-N 1 3 338.496 0.809 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638096820 440435467 /nfs/dbraw/zinc/43/54/67/440435467.db2.gz NCLXEDXRKYGMDB-GHMZBOCLSA-N 1 3 342.394 0.916 20 0 ECADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000638121511 440448111 /nfs/dbraw/zinc/44/81/11/440448111.db2.gz JJPQFCAPTCLHSS-AEFFLSMTSA-N 1 3 331.460 0.969 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659722014 440457678 /nfs/dbraw/zinc/45/76/78/440457678.db2.gz JLOMRMXUVFZJCG-LSDHHAIUSA-N 1 3 342.484 0.189 20 0 ECADHO [NH3+][C@H]1CC=C(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000638139472 440460032 /nfs/dbraw/zinc/46/00/32/440460032.db2.gz FELBNAGHJDLVPC-INIZCTEOSA-N 1 3 329.448 0.757 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000659742408 440480107 /nfs/dbraw/zinc/48/01/07/440480107.db2.gz SUBMAYKXLBYNEH-OWCLPIDISA-N 1 3 338.496 0.809 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000655131793 440487484 /nfs/dbraw/zinc/48/74/84/440487484.db2.gz OPUFVDWBVLWTEF-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000655131793 440487489 /nfs/dbraw/zinc/48/74/89/440487489.db2.gz OPUFVDWBVLWTEF-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000638264886 440489184 /nfs/dbraw/zinc/48/91/84/440489184.db2.gz AFRUVSULRDBOHO-CHWSQXEVSA-N 1 3 332.370 0.842 20 0 ECADHO CN(C)C1(CNC(=O)[C@H]2CC[C@@H]2C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000633447646 440498665 /nfs/dbraw/zinc/49/86/65/440498665.db2.gz XCSIOIXYYKBCPE-KBPBESRZSA-N 1 3 336.480 0.433 20 0 ECADHO COC[C@]1(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCCCN1 ZINC000638338686 440516200 /nfs/dbraw/zinc/51/62/00/440516200.db2.gz DIAWGWUXWWHSQT-JZXOWHBKSA-N 1 3 339.480 0.890 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000638356935 440519864 /nfs/dbraw/zinc/51/98/64/440519864.db2.gz IMJHXTKWJWQPQD-PMPSAXMXSA-N 1 3 329.485 0.803 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000665758395 440527515 /nfs/dbraw/zinc/52/75/15/440527515.db2.gz HDAJKYYFDSIMAT-IRXDYDNUSA-N 1 3 337.512 0.914 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1COCCO1 ZINC000665763860 440528896 /nfs/dbraw/zinc/52/88/96/440528896.db2.gz NMLSXBVLPQRRKS-GJZGRUSLSA-N 1 3 330.473 0.315 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1COCCO1 ZINC000665763860 440528901 /nfs/dbraw/zinc/52/89/01/440528901.db2.gz NMLSXBVLPQRRKS-GJZGRUSLSA-N 1 3 330.473 0.315 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@](C)(CO)C1 ZINC000665764527 440529311 /nfs/dbraw/zinc/52/93/11/440529311.db2.gz HVSBADQKOQEQDM-VYDXJSESSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@](C)(CO)C1 ZINC000665764527 440529319 /nfs/dbraw/zinc/52/93/19/440529319.db2.gz HVSBADQKOQEQDM-VYDXJSESSA-N 1 3 328.501 0.918 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1=O ZINC000638506133 440556339 /nfs/dbraw/zinc/55/63/39/440556339.db2.gz QZJSZTMPKCRJTH-OAGGEKHMSA-N 1 3 348.491 0.720 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)CCOC2C[NH2+]C2)cc1 ZINC000638527763 440561447 /nfs/dbraw/zinc/56/14/47/440561447.db2.gz XWSXMYXFSHOQFB-UHFFFAOYSA-N 1 3 334.420 0.295 20 0 ECADHO CC(C)(C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1)N1CCOCC1 ZINC000638570823 440568357 /nfs/dbraw/zinc/56/83/57/440568357.db2.gz BESPPIAEFVTBEA-OAHLLOKOSA-N 1 3 326.485 0.274 20 0 ECADHO CC(C)(CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCOCC1 ZINC000638570823 440568363 /nfs/dbraw/zinc/56/83/63/440568363.db2.gz BESPPIAEFVTBEA-OAHLLOKOSA-N 1 3 326.485 0.274 20 0 ECADHO CC(C)(CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCOCC1 ZINC000638570823 440568369 /nfs/dbraw/zinc/56/83/69/440568369.db2.gz BESPPIAEFVTBEA-OAHLLOKOSA-N 1 3 326.485 0.274 20 0 ECADHO CCCN1CC[C@H](NC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638428042 440538120 /nfs/dbraw/zinc/53/81/20/440538120.db2.gz YKMFQOIJFSNDMT-WDEREUQCSA-N 1 3 342.394 0.964 20 0 ECADHO C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C1CC[NH+](C)CC1 ZINC000655576477 440593285 /nfs/dbraw/zinc/59/32/85/440593285.db2.gz OKFJJXXJPLNHIW-GOEBONIOSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COC2CCOCC2)CCCO1 ZINC000644632247 440660723 /nfs/dbraw/zinc/66/07/23/440660723.db2.gz HMCVWSJHWMUTQK-CVEARBPZSA-N 1 3 330.469 0.633 20 0 ECADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COC2CCOCC2)CCCO1 ZINC000644632247 440660728 /nfs/dbraw/zinc/66/07/28/440660728.db2.gz HMCVWSJHWMUTQK-CVEARBPZSA-N 1 3 330.469 0.633 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)CC1=O ZINC000639024894 440665828 /nfs/dbraw/zinc/66/58/28/440665828.db2.gz QWBUCWARHPWXRQ-HOCLYGCPSA-N 1 3 344.459 0.561 20 0 ECADHO CO[C@@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)[C@H]1CCOC1 ZINC000639170379 440687442 /nfs/dbraw/zinc/68/74/42/440687442.db2.gz BDXZUJMNQCSCLR-ROUUACIJSA-N 1 3 325.497 0.997 20 0 ECADHO COCCN(C)CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660584938 440686075 /nfs/dbraw/zinc/68/60/75/440686075.db2.gz NNPIQFACEYYHJX-UHFFFAOYSA-N 1 3 326.485 0.986 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916915 440639591 /nfs/dbraw/zinc/63/95/91/440639591.db2.gz KRDCQODZNJKXOS-RYUDHWBXSA-N 1 3 339.406 0.449 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N1CCN(C)CC1 ZINC000655913857 440640269 /nfs/dbraw/zinc/64/02/69/440640269.db2.gz VXPKUYBEPZGMHG-NEPJUHHUSA-N 1 3 339.406 0.447 20 0 ECADHO [NH3+]C[C@@H](NC(=O)N1CCN(CC2CCOCC2)CC1)C(F)(F)F ZINC000655918508 440644554 /nfs/dbraw/zinc/64/45/54/440644554.db2.gz KREOQVCCDSYBBY-GFCCVEGCSA-N 1 3 338.374 0.630 20 0 ECADHO CN1CCN(C)[C@H](C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634704139 440691080 /nfs/dbraw/zinc/69/10/80/440691080.db2.gz GRTBSJLIKFUHPC-MOPGFXCFSA-N 1 3 332.492 0.459 20 0 ECADHO CN1CCN(C)[C@H](CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634704139 440691084 /nfs/dbraw/zinc/69/10/84/440691084.db2.gz GRTBSJLIKFUHPC-MOPGFXCFSA-N 1 3 332.492 0.459 20 0 ECADHO CN1CCN(C)[C@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634704139 440691088 /nfs/dbraw/zinc/69/10/88/440691088.db2.gz GRTBSJLIKFUHPC-MOPGFXCFSA-N 1 3 332.492 0.459 20 0 ECADHO Cn1cc(CCC[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000639262503 440700804 /nfs/dbraw/zinc/70/08/04/440700804.db2.gz YJFVIOVVLZOGCL-UHFFFAOYSA-N 1 3 335.496 0.739 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028986 440700062 /nfs/dbraw/zinc/70/00/62/440700062.db2.gz SXYHERBZELBKMH-ZJIFWQFVSA-N 1 3 336.480 0.705 20 0 ECADHO O=C(NC[C@H]1CCCN(CCOC2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629516917 440716938 /nfs/dbraw/zinc/71/69/38/440716938.db2.gz UIOLYJBBVMAUJH-WBVHZDCISA-N 1 3 339.480 0.762 20 0 ECADHO CS(=O)(=O)N1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000635009701 440731545 /nfs/dbraw/zinc/73/15/45/440731545.db2.gz OHRFDCXANSDVFF-UHFFFAOYSA-N 1 3 339.465 0.327 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639549948 440738835 /nfs/dbraw/zinc/73/88/35/440738835.db2.gz JMJOKZMYOXWXCG-QZTJIDSGSA-N 1 3 327.513 0.856 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639549948 440738839 /nfs/dbraw/zinc/73/88/39/440738839.db2.gz JMJOKZMYOXWXCG-QZTJIDSGSA-N 1 3 327.513 0.856 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651105866 440748453 /nfs/dbraw/zinc/74/84/53/440748453.db2.gz KQCDTYMOKAWTFM-AWEZNQCLSA-N 1 3 327.473 0.131 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651105866 440748457 /nfs/dbraw/zinc/74/84/57/440748457.db2.gz KQCDTYMOKAWTFM-AWEZNQCLSA-N 1 3 327.473 0.131 20 0 ECADHO CC[NH+](CC)CCCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645125939 440751554 /nfs/dbraw/zinc/75/15/54/440751554.db2.gz WMTCZTVSMUULHY-AWEZNQCLSA-N 1 3 327.473 0.480 20 0 ECADHO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCN(c2ccncc2)CC1 ZINC000645220969 440765844 /nfs/dbraw/zinc/76/58/44/440765844.db2.gz FQYZCGBUVSMNIF-OAHLLOKOSA-N 1 3 341.419 0.560 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000645259633 440770509 /nfs/dbraw/zinc/77/05/09/440770509.db2.gz CXBQLDFBCNVELI-UONOGXRCSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000645259633 440770512 /nfs/dbraw/zinc/77/05/12/440770512.db2.gz CXBQLDFBCNVELI-UONOGXRCSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000645267199 440773031 /nfs/dbraw/zinc/77/30/31/440773031.db2.gz IJCBUCOGABRNIP-MCIONIFRSA-N 1 3 325.457 0.231 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000645267199 440773034 /nfs/dbraw/zinc/77/30/34/440773034.db2.gz IJCBUCOGABRNIP-MCIONIFRSA-N 1 3 325.457 0.231 20 0 ECADHO CN1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000630937448 440985071 /nfs/dbraw/zinc/98/50/71/440985071.db2.gz HOSYWPOMWNMOJA-YHUYYLMFSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000630937448 440985076 /nfs/dbraw/zinc/98/50/76/440985076.db2.gz HOSYWPOMWNMOJA-YHUYYLMFSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@H](NC(=O)[C@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000630937448 440985082 /nfs/dbraw/zinc/98/50/82/440985082.db2.gz HOSYWPOMWNMOJA-YHUYYLMFSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@H](NC(=O)[C@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000630937448 440985088 /nfs/dbraw/zinc/98/50/88/440985088.db2.gz HOSYWPOMWNMOJA-YHUYYLMFSA-N 1 3 336.480 0.433 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662251415 440995026 /nfs/dbraw/zinc/99/50/26/440995026.db2.gz BVNBZNAPVLXBAM-INIZCTEOSA-N 1 3 340.512 0.391 20 0 ECADHO Cn1cc(C(=O)NCC2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cn1 ZINC000662258743 440996137 /nfs/dbraw/zinc/99/61/37/440996137.db2.gz XFCYMIFWDBLOAR-MRXNPFEDSA-N 1 3 347.463 0.383 20 0 ECADHO CN(C[C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1)S(C)(=O)=O ZINC000662283156 441001029 /nfs/dbraw/zinc/00/10/29/441001029.db2.gz RIVPGPDNWIALFQ-UONOGXRCSA-N 1 3 331.482 0.111 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@H]2CNCCO2)CC1 ZINC000662277454 441001603 /nfs/dbraw/zinc/00/16/03/441001603.db2.gz QUEPFRWYUQRIQK-QGZVFWFLSA-N 1 3 340.512 0.535 20 0 ECADHO CN(C)[C@@H](CNC(=O)Cn1cc(CC[NH+](C)C)nn1)c1ccccc1 ZINC000640837205 441003240 /nfs/dbraw/zinc/00/32/40/441003240.db2.gz OLHHUAKXONHPOI-KRWDZBQOSA-N 1 3 344.463 0.801 20 0 ECADHO CNS(=O)(=O)CCC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000631230515 441026771 /nfs/dbraw/zinc/02/67/71/441026771.db2.gz XIMKBTJIUOBOAG-UHFFFAOYSA-N 1 3 329.466 0.656 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662442826 441041871 /nfs/dbraw/zinc/04/18/71/441041871.db2.gz ZEMIWQDPCPVCQS-AWEZNQCLSA-N 1 3 336.440 0.043 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)c1ccccc1CC(=O)N[C@@H](C)C[NH+](C)C ZINC000635930019 441042804 /nfs/dbraw/zinc/04/28/04/441042804.db2.gz ZONNKWYPRIFBAG-GJZGRUSLSA-N 1 3 348.491 0.975 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)Cc1ccccc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000635930019 441042807 /nfs/dbraw/zinc/04/28/07/441042807.db2.gz ZONNKWYPRIFBAG-GJZGRUSLSA-N 1 3 348.491 0.975 20 0 ECADHO CN(C)C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccc(Cl)cc1 ZINC000662531117 441063303 /nfs/dbraw/zinc/06/33/03/441063303.db2.gz DGIGUDAFWXNWAG-CYBMUJFWSA-N 1 3 336.827 0.923 20 0 ECADHO Cc1c(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662527814 441063441 /nfs/dbraw/zinc/06/34/41/441063441.db2.gz ZSCBJHKQTDPDAN-SWLSCSKDSA-N 1 3 334.468 0.923 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657873579 441080276 /nfs/dbraw/zinc/08/02/76/441080276.db2.gz KZXLJCMNTQLVDD-INIZCTEOSA-N 1 3 345.447 0.283 20 0 ECADHO CC(C)C[C@H](NC(=O)C1CC[NH+](C)CC1)C(=O)NCCN(C)C ZINC000128117942 320511795 /nfs/dbraw/zinc/51/17/95/320511795.db2.gz BSLVJWKSEKLOMM-HNNXBMFYSA-N 1 3 326.485 0.537 20 0 ECADHO CCN1CCN(CCC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182408311 320530270 /nfs/dbraw/zinc/53/02/70/320530270.db2.gz VPZUTYUNUXEWAM-JKSUJKDBSA-N 1 3 331.526 0.959 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000339581469 320987335 /nfs/dbraw/zinc/98/73/35/320987335.db2.gz MGCVPZCKTGTGHB-UHFFFAOYSA-N 1 3 326.485 0.824 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000339670115 320995381 /nfs/dbraw/zinc/99/53/81/320995381.db2.gz LMMPBJLDHLQBMV-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000339672652 320995777 /nfs/dbraw/zinc/99/57/77/320995777.db2.gz ZHTYPEQAZNUPTG-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000339933271 321004564 /nfs/dbraw/zinc/00/45/64/321004564.db2.gz KZYBVRVLGNPNPQ-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000340208763 321022323 /nfs/dbraw/zinc/02/23/23/321022323.db2.gz OOAYUVVCBWLNCC-MRXNPFEDSA-N 1 3 338.496 0.635 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000340208763 321022324 /nfs/dbraw/zinc/02/23/24/321022324.db2.gz OOAYUVVCBWLNCC-MRXNPFEDSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C(C)C ZINC000340425798 321044152 /nfs/dbraw/zinc/04/41/52/321044152.db2.gz UKUOKWMLXLZPRQ-MRXNPFEDSA-N 1 3 344.525 0.386 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C(C)C ZINC000340425798 321044153 /nfs/dbraw/zinc/04/41/53/321044153.db2.gz UKUOKWMLXLZPRQ-MRXNPFEDSA-N 1 3 344.525 0.386 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N(C)C1CC1 ZINC000341987571 321071233 /nfs/dbraw/zinc/07/12/33/321071233.db2.gz YOLKKQBTRACRNK-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N(C)C1CC1 ZINC000341987571 321071235 /nfs/dbraw/zinc/07/12/35/321071235.db2.gz YOLKKQBTRACRNK-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1)C[NH+]1CCCCC1 ZINC000342054170 321073978 /nfs/dbraw/zinc/07/39/78/321073978.db2.gz IZKZYEDOPCHDCO-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000343221246 321129122 /nfs/dbraw/zinc/12/91/22/321129122.db2.gz UFHUNKCJQGCIKV-HUUCEWRRSA-N 1 3 336.480 0.435 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1N(C)C ZINC000527374363 322008046 /nfs/dbraw/zinc/00/80/46/322008046.db2.gz QYECZHAEIMWITJ-UHFFFAOYSA-N 1 3 349.479 0.643 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1c2ccccc2OCC1=O ZINC000531118713 322035498 /nfs/dbraw/zinc/03/54/98/322035498.db2.gz ZZTPJSHVZHBSSU-UHFFFAOYSA-N 1 3 348.447 0.364 20 0 ECADHO C[C@H](OC[C@@H]1CCCCO1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531118231 322035664 /nfs/dbraw/zinc/03/56/64/322035664.db2.gz DPJMSQUEZOQVJH-HOTGVXAUSA-N 1 3 329.485 0.912 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000535430685 322079867 /nfs/dbraw/zinc/07/98/67/322079867.db2.gz UCFPUVLOHCROFM-YOEHRIQHSA-N 1 3 337.512 0.794 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(O)CCOC3)CC2)CC1 ZINC000557656175 322207816 /nfs/dbraw/zinc/20/78/16/322207816.db2.gz CWPQZTJWYRZMKW-GOSISDBHSA-N 1 3 339.480 0.450 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000560637343 322248142 /nfs/dbraw/zinc/24/81/42/322248142.db2.gz QJPIBLYXAWBTHI-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000561256548 322257725 /nfs/dbraw/zinc/25/77/25/322257725.db2.gz HVCAMPBSGXZIAL-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563089199 322296945 /nfs/dbraw/zinc/29/69/45/322296945.db2.gz XRTYXNBTZXKVDX-BASYENTBSA-N 1 3 336.480 0.025 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000569710241 322662565 /nfs/dbraw/zinc/66/25/65/322662565.db2.gz DZWLPDKXQBOLHF-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO C[NH+](C)CC1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCC1 ZINC000573340079 322760421 /nfs/dbraw/zinc/76/04/21/322760421.db2.gz HGDATZYJJQWIDH-UONOGXRCSA-N 1 3 337.468 0.062 20 0 ECADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000573723320 322766744 /nfs/dbraw/zinc/76/67/44/322766744.db2.gz IDDORQPJRJJWEP-LBPRGKRZSA-N 1 3 341.419 0.544 20 0 ECADHO COCC1(CNC(=O)N(CCN(C)C)CCN(C)C)CC[NH2+]CC1 ZINC000575158952 322791967 /nfs/dbraw/zinc/79/19/67/322791967.db2.gz ZRODBGJXBUREGG-UHFFFAOYSA-N 1 3 343.516 0.137 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000577221779 322829071 /nfs/dbraw/zinc/82/90/71/322829071.db2.gz ZQTCHIRXEKLKEJ-KGLIPLIRSA-N 1 3 342.484 0.234 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000577607936 322840716 /nfs/dbraw/zinc/84/07/16/322840716.db2.gz JONREULKPNQQJG-KGLIPLIRSA-N 1 3 327.473 0.404 20 0 ECADHO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000577946838 322850740 /nfs/dbraw/zinc/85/07/40/322850740.db2.gz XQLULLWDFQACRB-VQIMIIECSA-N 1 3 348.491 0.675 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)C2)nn1 ZINC000579007904 322883466 /nfs/dbraw/zinc/88/34/66/322883466.db2.gz FWYCUWXFPQLYNG-MIGQKNRLSA-N 1 3 332.452 0.821 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001078006127 782120650 /nfs/dbraw/zinc/12/06/50/782120650.db2.gz SUXWGDKYLAMZAJ-BRWVUGGUSA-N 1 3 339.480 0.306 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001078006127 782120656 /nfs/dbraw/zinc/12/06/56/782120656.db2.gz SUXWGDKYLAMZAJ-BRWVUGGUSA-N 1 3 339.480 0.306 20 0 ECADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001078018187 782147811 /nfs/dbraw/zinc/14/78/11/782147811.db2.gz RTCSXPNAMMMXQK-FRFSOERESA-N 1 3 348.447 0.492 20 0 ECADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001078018187 782147821 /nfs/dbraw/zinc/14/78/21/782147821.db2.gz RTCSXPNAMMMXQK-FRFSOERESA-N 1 3 348.447 0.492 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC2CCC([NH3+])CC2)CC1=O ZINC000131726854 529076272 /nfs/dbraw/zinc/07/62/72/529076272.db2.gz TWEDGRQPZSMTEY-PRLABOORSA-N 1 3 336.480 0.705 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N(C)CC[NH2+]C)c2)CC1 ZINC000415552796 546207004 /nfs/dbraw/zinc/20/70/04/546207004.db2.gz QYQYOOOTSOVYEH-UHFFFAOYSA-N 1 3 347.463 0.445 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC[C@H](C)[N@@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268017 546222458 /nfs/dbraw/zinc/22/24/58/546222458.db2.gz HZNYLOZJQWRTOV-QGTPRVQTSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC[C@H](C)[N@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268017 546222461 /nfs/dbraw/zinc/22/24/61/546222461.db2.gz HZNYLOZJQWRTOV-QGTPRVQTSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CC[N@@H+](CC[C@H](C)N2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268017 546222464 /nfs/dbraw/zinc/22/24/64/546222464.db2.gz HZNYLOZJQWRTOV-QGTPRVQTSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CC[N@H+](CC[C@H](C)N2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268017 546222468 /nfs/dbraw/zinc/22/24/68/546222468.db2.gz HZNYLOZJQWRTOV-QGTPRVQTSA-N 1 3 338.496 0.681 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000624403879 546917300 /nfs/dbraw/zinc/91/73/00/546917300.db2.gz APFUNPIWIJRLJI-SMDDNHRTSA-N 1 3 343.497 0.480 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC000625028857 547008664 /nfs/dbraw/zinc/00/86/64/547008664.db2.gz ZKHARVVVVRROBJ-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC000625028857 547008666 /nfs/dbraw/zinc/00/86/66/547008666.db2.gz ZKHARVVVVRROBJ-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625581376 547156269 /nfs/dbraw/zinc/15/62/69/547156269.db2.gz NKAZYFORJCFFMH-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625581376 547156274 /nfs/dbraw/zinc/15/62/74/547156274.db2.gz NKAZYFORJCFFMH-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625581381 547156626 /nfs/dbraw/zinc/15/66/26/547156626.db2.gz NKAZYFORJCFFMH-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625581381 547156633 /nfs/dbraw/zinc/15/66/33/547156633.db2.gz NKAZYFORJCFFMH-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000625933758 547254487 /nfs/dbraw/zinc/25/44/87/547254487.db2.gz OEMMYTJLXVAHIR-SJORKVTESA-N 1 3 331.460 0.905 20 0 ECADHO CN1CCC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000625933758 547254493 /nfs/dbraw/zinc/25/44/93/547254493.db2.gz OEMMYTJLXVAHIR-SJORKVTESA-N 1 3 331.460 0.905 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000667820646 547560316 /nfs/dbraw/zinc/56/03/16/547560316.db2.gz ZLTOXESSJLBMQJ-AWEZNQCLSA-N 1 3 347.467 0.881 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-n2ccnn2)ccc1F ZINC000668302630 547615124 /nfs/dbraw/zinc/61/51/24/547615124.db2.gz LTJIDNBKWFPIPY-UHFFFAOYSA-N 1 3 348.426 0.972 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)[C@@H]1CCN(CC)C1 ZINC000668625585 547705933 /nfs/dbraw/zinc/70/59/33/547705933.db2.gz VDFFQDGRHCKOFX-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000668682487 547723014 /nfs/dbraw/zinc/72/30/14/547723014.db2.gz IFMQRHAUTBRENP-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000668686949 547725184 /nfs/dbraw/zinc/72/51/84/547725184.db2.gz BSESWGBVDNDXAO-CQSZACIVSA-N 1 3 333.480 0.999 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000668686949 547725185 /nfs/dbraw/zinc/72/51/85/547725185.db2.gz BSESWGBVDNDXAO-CQSZACIVSA-N 1 3 333.480 0.999 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000669144753 547840351 /nfs/dbraw/zinc/84/03/51/547840351.db2.gz UVEQCFYJVHNRJW-UONOGXRCSA-N 1 3 326.485 0.679 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000669204187 547851492 /nfs/dbraw/zinc/85/14/92/547851492.db2.gz VLJLZWQZOIPEOB-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000670783626 548049794 /nfs/dbraw/zinc/04/97/94/548049794.db2.gz ZUWVKCRJESOKBC-QGZVFWFLSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)NC1CCN(C2CC2)CC1 ZINC000671180082 548105729 /nfs/dbraw/zinc/10/57/29/548105729.db2.gz FHNACUQEBYNPJD-CVEARBPZSA-N 1 3 334.464 0.472 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)NC1CCN(C2CC2)CC1 ZINC000671180082 548105733 /nfs/dbraw/zinc/10/57/33/548105733.db2.gz FHNACUQEBYNPJD-CVEARBPZSA-N 1 3 334.464 0.472 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000671365743 548128862 /nfs/dbraw/zinc/12/88/62/548128862.db2.gz LVJBTWCEPRYOKH-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CN1CC[C@H]([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)[C@H]2CCC[C@@H]21 ZINC000671747829 548225965 /nfs/dbraw/zinc/22/59/65/548225965.db2.gz PXJCRLUEFQRLPL-YRXWBPOGSA-N 1 3 336.524 0.855 20 0 ECADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@H]2CCC[C@@H]21 ZINC000671747829 548225969 /nfs/dbraw/zinc/22/59/69/548225969.db2.gz PXJCRLUEFQRLPL-YRXWBPOGSA-N 1 3 336.524 0.855 20 0 ECADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@H]2CCC[C@@H]21 ZINC000671747829 548225973 /nfs/dbraw/zinc/22/59/73/548225973.db2.gz PXJCRLUEFQRLPL-YRXWBPOGSA-N 1 3 336.524 0.855 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671820476 548233768 /nfs/dbraw/zinc/23/37/68/548233768.db2.gz HRMMFUTVJIGTQP-AWEZNQCLSA-N 1 3 333.436 0.187 20 0 ECADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccsc1 ZINC000671988718 548250538 /nfs/dbraw/zinc/25/05/38/548250538.db2.gz UOAWVCCRTAEQEH-ZDUSSCGKSA-N 1 3 340.493 0.877 20 0 ECADHO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672011165 548254873 /nfs/dbraw/zinc/25/48/73/548254873.db2.gz HCAOUMHMOUFFRZ-YCPHGPKFSA-N 1 3 336.480 0.528 20 0 ECADHO CNC(=O)c1cccc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000676877630 548882589 /nfs/dbraw/zinc/88/25/89/548882589.db2.gz UKVIHTYFYFDCID-UHFFFAOYSA-N 1 3 348.491 0.931 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000678589452 549038775 /nfs/dbraw/zinc/03/87/75/549038775.db2.gz YKILWPTTWMKNLB-LSDHHAIUSA-N 1 3 325.453 0.862 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000678589452 549038779 /nfs/dbraw/zinc/03/87/79/549038779.db2.gz YKILWPTTWMKNLB-LSDHHAIUSA-N 1 3 325.453 0.862 20 0 ECADHO CN(C)CCOc1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1 ZINC000681700590 549289479 /nfs/dbraw/zinc/28/94/79/549289479.db2.gz ZRRGGBGDSPTDAA-UHFFFAOYSA-N 1 3 341.477 0.608 20 0 ECADHO C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCSC1 ZINC000748627672 579327383 /nfs/dbraw/zinc/32/73/83/579327383.db2.gz LNZAWAGKARWOFI-YCPHGPKFSA-N 1 3 342.509 0.586 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000729507444 578296618 /nfs/dbraw/zinc/29/66/18/578296618.db2.gz UOJUDLGHYZGFJU-DLBZAZTESA-N 1 3 345.447 0.776 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000735586277 578390909 /nfs/dbraw/zinc/39/09/09/578390909.db2.gz UMAWPMXSTGAIIM-UHFFFAOYSA-N 1 3 347.463 0.445 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000772815716 579215229 /nfs/dbraw/zinc/21/52/29/579215229.db2.gz DEIBHSXRRWUEDI-QLFBSQMISA-N 1 3 326.485 0.774 20 0 ECADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000841051324 588976880 /nfs/dbraw/zinc/97/68/80/588976880.db2.gz PSJATCUNCOUTCK-ZDUSSCGKSA-N 1 3 330.432 0.871 20 0 ECADHO O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)[C@@]1(F)CCNC1 ZINC000841854442 589002963 /nfs/dbraw/zinc/00/29/63/589002963.db2.gz CFNYKSPCMNWFNB-QGZVFWFLSA-N 1 3 336.411 0.611 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)N1CCCCC1 ZINC000842015611 589008296 /nfs/dbraw/zinc/00/82/96/589008296.db2.gz LZIIADYJBGUNPO-OAHLLOKOSA-N 1 3 346.475 0.795 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)N(C)C1CC1 ZINC000842193810 589019629 /nfs/dbraw/zinc/01/96/29/589019629.db2.gz AUIIEMLMFXGBGF-ZDUSSCGKSA-N 1 3 332.448 0.403 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842199999 589020138 /nfs/dbraw/zinc/02/01/38/589020138.db2.gz BBUCZNQRELRJRF-QAPCUYQASA-N 1 3 334.464 0.189 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000842226973 589022385 /nfs/dbraw/zinc/02/23/85/589022385.db2.gz LYKYVMYWWRFHBO-MRXNPFEDSA-N 1 3 332.448 0.560 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842266256 589025387 /nfs/dbraw/zinc/02/53/87/589025387.db2.gz GPHXUCPAUMWNIU-YOEHRIQHSA-N 1 3 346.475 0.821 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)CN1CCN(C)CC1 ZINC000891603975 586181011 /nfs/dbraw/zinc/18/10/11/586181011.db2.gz UIRMREYQYXBEGI-WCXIOVBPSA-N 1 3 337.512 0.700 20 0 ECADHO CN1CCN(C2CCN(C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000892057950 586218611 /nfs/dbraw/zinc/21/86/11/586218611.db2.gz SVULENSCLJEFNM-GOSISDBHSA-N 1 3 337.512 0.798 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000892166656 586226575 /nfs/dbraw/zinc/22/65/75/586226575.db2.gz KSMXAVFNCSYRAN-ZBFHGGJFSA-N 1 3 333.436 0.680 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCCCCC[NH3+] ZINC000842916812 589041698 /nfs/dbraw/zinc/04/16/98/589041698.db2.gz RFYAXGNHGAYSFY-UHFFFAOYSA-N 1 3 345.513 0.859 20 0 ECADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000897491495 586333597 /nfs/dbraw/zinc/33/35/97/586333597.db2.gz HIRUBNLNRJDCEO-INIZCTEOSA-N 1 3 325.501 0.750 20 0 ECADHO C[C@H]1CCC[N@H+]1CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000897491495 586333600 /nfs/dbraw/zinc/33/36/00/586333600.db2.gz HIRUBNLNRJDCEO-INIZCTEOSA-N 1 3 325.501 0.750 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000897518068 586337366 /nfs/dbraw/zinc/33/73/66/586337366.db2.gz CATZFYKQZJLXIJ-UONOGXRCSA-N 1 3 325.457 0.232 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000897518068 586337369 /nfs/dbraw/zinc/33/73/69/586337369.db2.gz CATZFYKQZJLXIJ-UONOGXRCSA-N 1 3 325.457 0.232 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000897550797 586342840 /nfs/dbraw/zinc/34/28/40/586342840.db2.gz UVDHZLCZEMKCTH-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCC2(CCN2C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000893867310 586364491 /nfs/dbraw/zinc/36/44/91/586364491.db2.gz OKLPKGVUQRDQNT-UHFFFAOYSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000898621744 586438670 /nfs/dbraw/zinc/43/86/70/586438670.db2.gz CTQKZLAIMOBHIJ-WCVJEAGWSA-N 1 3 338.496 0.347 20 0 ECADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000899811295 586507587 /nfs/dbraw/zinc/50/75/87/586507587.db2.gz UUSHQNDWWZMGJA-WBVHZDCISA-N 1 3 329.448 0.509 20 0 ECADHO COC(=O)C1CCCN(Cc2nc(CC3CC[NH2+]CC3)no2)C1=O ZINC000900017457 586518964 /nfs/dbraw/zinc/51/89/64/586518964.db2.gz IGSGWFNFSFZMOM-LBPRGKRZSA-N 1 3 336.392 0.523 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/Cn1cncn1 ZINC000900481653 586635264 /nfs/dbraw/zinc/63/52/64/586635264.db2.gz SVVUMSINJFKYBF-IQIBNGDESA-N 1 3 334.468 0.709 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/Cn1cncn1 ZINC000900481653 586635265 /nfs/dbraw/zinc/63/52/65/586635265.db2.gz SVVUMSINJFKYBF-IQIBNGDESA-N 1 3 334.468 0.709 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC000900529451 586640252 /nfs/dbraw/zinc/64/02/52/586640252.db2.gz RXBKTZNXVLZMEU-UHFFFAOYSA-N 1 3 344.459 0.690 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000843265690 589058615 /nfs/dbraw/zinc/05/86/15/589058615.db2.gz UQYRJQMIPMXBCN-KBPBESRZSA-N 1 3 334.464 0.949 20 0 ECADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000901058747 586688536 /nfs/dbraw/zinc/68/85/36/586688536.db2.gz XZXHJJPDCPIDQV-WBVHZDCISA-N 1 3 325.453 0.203 20 0 ECADHO C[N@H+]1CCC[C@](O)(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000901058747 586688537 /nfs/dbraw/zinc/68/85/37/586688537.db2.gz XZXHJJPDCPIDQV-WBVHZDCISA-N 1 3 325.453 0.203 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1)[C@@H]1CCC[NH2+]1 ZINC000903740495 586806380 /nfs/dbraw/zinc/80/63/80/586806380.db2.gz HRMZWERIWMIMNR-QEOTZNIISA-N 1 3 337.464 0.371 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCN2CCCS2(=O)=O)C1 ZINC000903767872 586809968 /nfs/dbraw/zinc/80/99/68/586809968.db2.gz ISLZARYBJZBSFA-KFWWJZLASA-N 1 3 331.482 0.383 20 0 ECADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)C1 ZINC000903754239 586811636 /nfs/dbraw/zinc/81/16/36/586811636.db2.gz CESLMDSJZZRCIB-HUUCEWRRSA-N 1 3 336.480 0.372 20 0 ECADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)C1 ZINC000903754239 586811637 /nfs/dbraw/zinc/81/16/37/586811637.db2.gz CESLMDSJZZRCIB-HUUCEWRRSA-N 1 3 336.480 0.372 20 0 ECADHO COC(=O)c1cn([C@@H]2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903759103 586812985 /nfs/dbraw/zinc/81/29/85/586812985.db2.gz OQVDSIOMSPBJCF-ZIAGYGMSSA-N 1 3 349.435 0.470 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000903781422 586814504 /nfs/dbraw/zinc/81/45/04/586814504.db2.gz SSIXVCSVZSQMHI-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CC[C@H](CN3CCOCC3)C2)cnn1C ZINC000903896314 586823705 /nfs/dbraw/zinc/82/37/05/586823705.db2.gz ARFUBFRCEJYXEV-SJORKVTESA-N 1 3 335.496 0.500 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H](Cn3ccnn3)C2)cnn1C ZINC000903898662 586824403 /nfs/dbraw/zinc/82/44/03/586824403.db2.gz MTIMBBMIRVHMFM-JKSUJKDBSA-N 1 3 331.468 0.850 20 0 ECADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cnn1C ZINC000903898662 586824405 /nfs/dbraw/zinc/82/44/05/586824405.db2.gz MTIMBBMIRVHMFM-JKSUJKDBSA-N 1 3 331.468 0.850 20 0 ECADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H](Cn3ccnn3)C2)cnn1C ZINC000903898662 586824407 /nfs/dbraw/zinc/82/44/07/586824407.db2.gz MTIMBBMIRVHMFM-JKSUJKDBSA-N 1 3 331.468 0.850 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CC[C@H](CN3CCCC3=O)C2)cnn1C ZINC000903933818 586826693 /nfs/dbraw/zinc/82/66/93/586826693.db2.gz WDWBGHPYNVKKSJ-HOTGVXAUSA-N 1 3 333.480 0.790 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000904511890 586839259 /nfs/dbraw/zinc/83/92/59/586839259.db2.gz UZSMISWJXINOFK-UHFFFAOYSA-N 1 3 349.483 0.938 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000904971800 586851353 /nfs/dbraw/zinc/85/13/53/586851353.db2.gz JKZFNNMYWLUHFA-MAUKXSAKSA-N 1 3 336.480 0.661 20 0 ECADHO O=C(C(=O)N1CCC[C@@]12CC[NH2+]C2)N1CC[C@H](N2CCCCC2)C1 ZINC000905015190 586862325 /nfs/dbraw/zinc/86/23/25/586862325.db2.gz UVILANGHBSJPLV-YJBOKZPZSA-N 1 3 334.464 0.428 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906385698 586947091 /nfs/dbraw/zinc/94/70/91/586947091.db2.gz RAWIAGXUEBSZET-UHFFFAOYSA-N 1 3 346.479 0.265 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906385698 586947094 /nfs/dbraw/zinc/94/70/94/586947094.db2.gz RAWIAGXUEBSZET-UHFFFAOYSA-N 1 3 346.479 0.265 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C12CC[NH+](CC1)C2 ZINC000907292890 587033437 /nfs/dbraw/zinc/03/34/37/587033437.db2.gz WSECBPJIFKEECH-QGZVFWFLSA-N 1 3 329.444 0.965 20 0 ECADHO C[C@@H](NCCN1CC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817943987 587392915 /nfs/dbraw/zinc/39/29/15/587392915.db2.gz UPTIGPFRKYDMQL-IEBWSBKVSA-N 1 3 332.492 0.771 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)CO[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000844174509 589098984 /nfs/dbraw/zinc/09/89/84/589098984.db2.gz HZKJOBLLNUVKAD-BZUAXINKSA-N 1 3 327.469 0.761 20 0 ECADHO C[NH+]1CCC(OCC(=O)N2CCC(N3CCCOCC3)CC2)CC1 ZINC000822580195 587666837 /nfs/dbraw/zinc/66/68/37/587666837.db2.gz HJDCMEZODTXJPM-UHFFFAOYSA-N 1 3 339.480 0.811 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc(C[NH3+])c1 ZINC000828247040 588167645 /nfs/dbraw/zinc/16/76/45/588167645.db2.gz KIJIOTBGYDWNKT-INIZCTEOSA-N 1 3 332.448 0.818 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000831108263 588405660 /nfs/dbraw/zinc/40/56/60/588405660.db2.gz JMWDHFJQQKZPJT-STQMWFEESA-N 1 3 335.456 0.056 20 0 ECADHO CCO[C@@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN(C)C ZINC000831745702 588446723 /nfs/dbraw/zinc/44/67/23/588446723.db2.gz VFWGDMBAGBRIBI-HKUYNNGSSA-N 1 3 349.475 0.706 20 0 ECADHO CCO[C@@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN(C)C ZINC000831745702 588446725 /nfs/dbraw/zinc/44/67/25/588446725.db2.gz VFWGDMBAGBRIBI-HKUYNNGSSA-N 1 3 349.475 0.706 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000846151731 589188962 /nfs/dbraw/zinc/18/89/62/589188962.db2.gz FYZPAYJRCMBPMZ-QWHCGFSZSA-N 1 3 330.473 0.898 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)N(C)OC)CC2)CC1 ZINC000848228938 589283890 /nfs/dbraw/zinc/28/38/90/589283890.db2.gz KBTPZRWQUDVHEE-UHFFFAOYSA-N 1 3 340.468 0.319 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000848615889 589303906 /nfs/dbraw/zinc/30/39/06/589303906.db2.gz DGYNMNWOAZWVGP-HOTGVXAUSA-N 1 3 348.491 0.722 20 0 ECADHO CC1(C)CCCN1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000849117050 589320783 /nfs/dbraw/zinc/32/07/83/589320783.db2.gz RFUNSEYUSDOAAY-UHFFFAOYSA-N 1 3 331.468 0.997 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849524472 589339906 /nfs/dbraw/zinc/33/99/06/589339906.db2.gz IEAJTRFUICXACI-ULQDDVLXSA-N 1 3 349.479 0.292 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849524472 589339907 /nfs/dbraw/zinc/33/99/07/589339907.db2.gz IEAJTRFUICXACI-ULQDDVLXSA-N 1 3 349.479 0.292 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851872782 589430160 /nfs/dbraw/zinc/43/01/60/589430160.db2.gz NRWIKZLNFABTTL-IBGZPJMESA-N 1 3 348.491 0.317 20 0 ECADHO NC[C@H]1CC(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)=NO1 ZINC000852796704 589512515 /nfs/dbraw/zinc/51/25/15/589512515.db2.gz STVMPIJRWQQNCO-UONOGXRCSA-N 1 3 346.387 0.638 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853822015 589560895 /nfs/dbraw/zinc/56/08/95/589560895.db2.gz DIDMQSGGLUTZFM-GJZGRUSLSA-N 1 3 341.500 0.521 20 0 ECADHO CC(C)(C)N1CC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000857841774 589712669 /nfs/dbraw/zinc/71/26/69/589712669.db2.gz FBTPILJIPNUATR-CABCVRRESA-N 1 3 336.480 0.800 20 0 ECADHO CC(C)(C)N1CC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000857841774 589712671 /nfs/dbraw/zinc/71/26/71/589712671.db2.gz FBTPILJIPNUATR-CABCVRRESA-N 1 3 336.480 0.800 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc2)CC1 ZINC000861538645 589861010 /nfs/dbraw/zinc/86/10/10/589861010.db2.gz DRAFCWZVVBNOLQ-CQSZACIVSA-N 1 3 347.463 0.573 20 0 ECADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000868567683 589914340 /nfs/dbraw/zinc/91/43/40/589914340.db2.gz WKSSQOMTZXCDAP-HZSPNIEDSA-N 1 3 342.484 0.992 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C[NH+](C)C ZINC000868827300 589929591 /nfs/dbraw/zinc/92/95/91/589929591.db2.gz VZLXTPSFZWIZEQ-LBPRGKRZSA-N 1 3 330.473 0.898 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000863754420 590034585 /nfs/dbraw/zinc/03/45/85/590034585.db2.gz RWIGHXRRTWWZRE-MRXNPFEDSA-N 1 3 348.491 0.815 20 0 ECADHO N[C@@H](CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000871000718 590044817 /nfs/dbraw/zinc/04/48/17/590044817.db2.gz WWDBHTIWHGAYLN-QXSJWSMHSA-N 1 3 344.415 0.470 20 0 ECADHO CCN1CCC(NC(=O)CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872151804 590098556 /nfs/dbraw/zinc/09/85/56/590098556.db2.gz NHONHMWWDXOQPU-YPMHNXCESA-N 1 3 336.402 0.656 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303089 590112324 /nfs/dbraw/zinc/11/23/24/590112324.db2.gz BOLBMZCDLBASRB-QMIVOQANSA-N 1 3 336.436 0.253 20 0 ECADHO CO[C@@H]1CCn2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nc2C1 ZINC000865178084 590129860 /nfs/dbraw/zinc/12/98/60/590129860.db2.gz PGOLZSUGXBXTLD-CQSZACIVSA-N 1 3 337.468 0.410 20 0 ECADHO CN1CCC[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865183376 590130335 /nfs/dbraw/zinc/13/03/35/590130335.db2.gz DKBJHPNSINJCPE-STQMWFEESA-N 1 3 328.457 0.652 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000865609452 590151665 /nfs/dbraw/zinc/15/16/65/590151665.db2.gz MFTQONWCFYAVKE-KGLIPLIRSA-N 1 3 342.484 0.899 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000865609452 590151668 /nfs/dbraw/zinc/15/16/68/590151668.db2.gz MFTQONWCFYAVKE-KGLIPLIRSA-N 1 3 342.484 0.899 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000865811381 590159579 /nfs/dbraw/zinc/15/95/79/590159579.db2.gz QXVLLYDOLSIUSI-OLZOCXBDSA-N 1 3 330.473 0.898 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000865858210 590160684 /nfs/dbraw/zinc/16/06/84/590160684.db2.gz FUNHENMGPIRVHH-KBPBESRZSA-N 1 3 342.484 0.851 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000875021605 590263319 /nfs/dbraw/zinc/26/33/19/590263319.db2.gz LPHZTBSGSXHEOU-CZUORRHYSA-N 1 3 334.464 0.282 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000875021605 590263320 /nfs/dbraw/zinc/26/33/20/590263320.db2.gz LPHZTBSGSXHEOU-CZUORRHYSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000875061519 590266627 /nfs/dbraw/zinc/26/66/27/590266627.db2.gz LYIIJYULHCBYGG-OAGGEKHMSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000875061519 590266629 /nfs/dbraw/zinc/26/66/29/590266629.db2.gz LYIIJYULHCBYGG-OAGGEKHMSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875060252 590266788 /nfs/dbraw/zinc/26/67/88/590266788.db2.gz MIOQLNGUSFFYKU-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C[NH+]1CCCC1 ZINC000875096841 590270380 /nfs/dbraw/zinc/27/03/80/590270380.db2.gz WDCSYLFDUMVGNV-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C[NH+]1CCCC1 ZINC000875118888 590272812 /nfs/dbraw/zinc/27/28/12/590272812.db2.gz VHJNJTJEBXOOTB-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO O=C(CN1CCNCC1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000876520243 590385029 /nfs/dbraw/zinc/38/50/29/590385029.db2.gz GVANYVFRKQRATP-INIZCTEOSA-N 1 3 346.431 0.439 20 0 ECADHO COC[C@]1(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCN1 ZINC000876719108 590402433 /nfs/dbraw/zinc/40/24/33/590402433.db2.gz CXUDNYWUCIXDSX-WMZOPIPTSA-N 1 3 339.480 0.905 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876752006 590408686 /nfs/dbraw/zinc/40/86/86/590408686.db2.gz DGDYZHXCKRBMCQ-WAVCKPEOSA-N 1 3 336.480 0.555 20 0 ECADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000876757915 590410501 /nfs/dbraw/zinc/41/05/01/590410501.db2.gz GACUCAJTPOWIEK-RCELQXLSSA-N 1 3 336.480 0.457 20 0 ECADHO C[S@](=O)C1(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[NH2+]CC1 ZINC000876839244 590418469 /nfs/dbraw/zinc/41/84/69/590418469.db2.gz RZGYDSCXKZIJPD-AQKDONEWSA-N 1 3 335.473 0.440 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CCNCC2)[NH2+]C1 ZINC000877153462 590441384 /nfs/dbraw/zinc/44/13/84/590441384.db2.gz VZTYSXGTLVCELJ-LBPRGKRZSA-N 1 3 331.482 0.048 20 0 ECADHO CN1CCC2(CC1)CCN(C(=O)C1([S@](C)=O)CC[NH2+]CC1)CC2 ZINC000877192324 590443957 /nfs/dbraw/zinc/44/39/57/590443957.db2.gz LPCGXFTWDZQXOK-QHCPKHFHSA-N 1 3 341.521 0.822 20 0 ECADHO C[C@@]1(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CCC[NH2+]C1 ZINC000877206526 590444746 /nfs/dbraw/zinc/44/47/46/590444746.db2.gz JMAQFJJVCNZZHJ-QGZVFWFLSA-N 1 3 328.420 0.732 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)/C=C/[C@H]3CCC[NH2+]C3)c2)nn1 ZINC000877206553 590444823 /nfs/dbraw/zinc/44/48/23/590444823.db2.gz KFFAJZYZWFQZQT-PSKZRQQASA-N 1 3 340.431 0.898 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)CC[NH2+]CC3CC3)c2)nn1 ZINC000877206209 590444892 /nfs/dbraw/zinc/44/48/92/590444892.db2.gz DGPZUVOQCZELNA-UHFFFAOYSA-N 1 3 328.420 0.732 20 0 ECADHO CN(C)CCn1cc(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000877326379 590457177 /nfs/dbraw/zinc/45/71/77/590457177.db2.gz AQSKNOAYXVHJHG-OAHLLOKOSA-N 1 3 335.452 0.333 20 0 ECADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881474880 590457216 /nfs/dbraw/zinc/45/72/16/590457216.db2.gz TVUJCNLXFLMESV-DLBZAZTESA-N 1 3 336.480 0.136 20 0 ECADHO CN(C)CCn1cc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000877355942 590460355 /nfs/dbraw/zinc/46/03/55/590460355.db2.gz PLLKGHAJITWRNV-JQWIXIFHSA-N 1 3 333.358 0.654 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1=O ZINC000877393471 590463164 /nfs/dbraw/zinc/46/31/64/590463164.db2.gz YEDOMHNSKXEXOD-JEWRLFTDSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000885281973 590703498 /nfs/dbraw/zinc/70/34/98/590703498.db2.gz ZDGWEGNIRNSRHR-STQMWFEESA-N 1 3 344.406 0.044 20 0 ECADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)CCCN(C)C ZINC000885848072 590771845 /nfs/dbraw/zinc/77/18/45/590771845.db2.gz OMNAMWATHZSPMU-AWEZNQCLSA-N 1 3 326.466 0.874 20 0 ECADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000884211033 590777166 /nfs/dbraw/zinc/77/71/66/590777166.db2.gz QXHAJPMQTGYMMN-INIZCTEOSA-N 1 3 338.496 0.763 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000884518718 590848864 /nfs/dbraw/zinc/84/88/64/590848864.db2.gz YDJFNJZOVYPHLX-DZGCQCFKSA-N 1 3 348.447 0.191 20 0 ECADHO Cn1ccn2c(CCN[C@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)nnc2c1=O ZINC000886698401 590870904 /nfs/dbraw/zinc/87/09/04/590870904.db2.gz FAWXBRAOLAEJEU-MELADBBJSA-N 1 3 330.436 0.433 20 0 ECADHO Cn1ccn2c(CCN[C@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)nnc2c1=O ZINC000886698401 590870906 /nfs/dbraw/zinc/87/09/06/590870906.db2.gz FAWXBRAOLAEJEU-MELADBBJSA-N 1 3 330.436 0.433 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)N(C)C1CC1 ZINC000884617456 590872496 /nfs/dbraw/zinc/87/24/96/590872496.db2.gz MTPNNDKAMFGDGO-GDBMZVCRSA-N 1 3 346.475 0.662 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)C1=CCN(C)CC1 ZINC000884623997 590875627 /nfs/dbraw/zinc/87/56/27/590875627.db2.gz VEEZQGAIXSCZRT-BEFAXECRSA-N 1 3 348.491 0.745 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000884625342 590875670 /nfs/dbraw/zinc/87/56/70/590875670.db2.gz HNPKIRIETGIWNX-SJORKVTESA-N 1 3 344.459 0.717 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000884626061 590876199 /nfs/dbraw/zinc/87/61/99/590876199.db2.gz ZXYPWZVNJGFRJG-QFBILLFUSA-N 1 3 344.459 0.432 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000884684494 590893801 /nfs/dbraw/zinc/89/38/01/590893801.db2.gz HJOWOXDCMVWYPK-DOTOQJQBSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000884691898 590898437 /nfs/dbraw/zinc/89/84/37/590898437.db2.gz XJYWYERNHNKBFA-CABCVRRESA-N 1 3 345.447 0.235 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1c1ccncc1 ZINC000884694851 590900217 /nfs/dbraw/zinc/90/02/17/590900217.db2.gz ZATHVERDPCSXFU-HUUCEWRRSA-N 1 3 345.447 0.377 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884720322 590908576 /nfs/dbraw/zinc/90/85/76/590908576.db2.gz KVPXJYHLEHJCKU-GJZGRUSLSA-N 1 3 347.463 0.752 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884720321 590908652 /nfs/dbraw/zinc/90/86/52/590908652.db2.gz KVPXJYHLEHJCKU-CABCVRRESA-N 1 3 347.463 0.752 20 0 ECADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000884776901 590920082 /nfs/dbraw/zinc/92/00/82/590920082.db2.gz ZTANIHRTUABBOL-PMPSAXMXSA-N 1 3 336.480 0.849 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884785619 590922399 /nfs/dbraw/zinc/92/23/99/590922399.db2.gz AWHAODKMTOSDMW-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000887087935 590942427 /nfs/dbraw/zinc/94/24/27/590942427.db2.gz DCOGSHWLSFJHPM-BMFZPTHFSA-N 1 3 334.464 0.411 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000887087935 590942430 /nfs/dbraw/zinc/94/24/30/590942430.db2.gz DCOGSHWLSFJHPM-BMFZPTHFSA-N 1 3 334.464 0.411 20 0 ECADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cn1 ZINC000887923392 591020197 /nfs/dbraw/zinc/02/01/97/591020197.db2.gz ZESZXQWDKSRHBP-NTDBWNAOSA-N 1 3 345.491 0.866 20 0 ECADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cn1 ZINC000887923392 591020200 /nfs/dbraw/zinc/02/02/00/591020200.db2.gz ZESZXQWDKSRHBP-NTDBWNAOSA-N 1 3 345.491 0.866 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000929929053 611368649 /nfs/dbraw/zinc/36/86/49/611368649.db2.gz IBSHGPVCRLBPOH-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000929929053 611368651 /nfs/dbraw/zinc/36/86/51/611368651.db2.gz IBSHGPVCRLBPOH-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779235 611472370 /nfs/dbraw/zinc/47/23/70/611472370.db2.gz KRIWUCGLWLUDJG-YHUYYLMFSA-N 1 3 336.480 0.372 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779235 611472373 /nfs/dbraw/zinc/47/23/73/611472373.db2.gz KRIWUCGLWLUDJG-YHUYYLMFSA-N 1 3 336.480 0.372 20 0 ECADHO CC[NH+]1CCC(N2CCCN(C(=O)NC[C@H]3CCN3C)CC2)CC1 ZINC000925424870 611481597 /nfs/dbraw/zinc/48/15/97/611481597.db2.gz BMPSLMKRHLPDQW-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCN(C)[C@H]2C)CC1 ZINC000925331303 611471008 /nfs/dbraw/zinc/47/10/08/611471008.db2.gz IIXNGKBRSDWNFQ-DZKIICNBSA-N 1 3 326.485 0.813 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000946804088 611492085 /nfs/dbraw/zinc/49/20/85/611492085.db2.gz DWZMTVIGRUMKGY-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000946804088 611492087 /nfs/dbraw/zinc/49/20/87/611492087.db2.gz DWZMTVIGRUMKGY-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH+](C)CC1(O)CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000931487170 611544740 /nfs/dbraw/zinc/54/47/40/611544740.db2.gz UQDCYMJSAPUJTK-AWEZNQCLSA-N 1 3 326.412 0.954 20 0 ECADHO C[NH+](C)CC1(O)CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000931488374 611544895 /nfs/dbraw/zinc/54/48/95/611544895.db2.gz QNBVFOFLXRRVCE-OAHLLOKOSA-N 1 3 326.412 0.954 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC000947072153 611574938 /nfs/dbraw/zinc/57/49/38/611574938.db2.gz AJDKJYWVGUTRIP-GDBMZVCRSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC000947072153 611574940 /nfs/dbraw/zinc/57/49/40/611574940.db2.gz AJDKJYWVGUTRIP-GDBMZVCRSA-N 1 3 336.480 0.386 20 0 ECADHO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C[C@@H]1CN2CCC[C@H]2CO1 ZINC000924560184 608938423 /nfs/dbraw/zinc/93/84/23/608938423.db2.gz LWNJTLQXKFSFMF-SOUVJXGZSA-N 1 3 336.436 0.256 20 0 ECADHO CCO[C@H](CN1C(=O)N[C@H](CN2CCCCC2)C1=O)C[NH+](C)C ZINC000925235121 608959264 /nfs/dbraw/zinc/95/92/64/608959264.db2.gz JNZSHJJSQPHPLU-UONOGXRCSA-N 1 3 326.441 0.359 20 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ZINC000937979092 609432759 /nfs/dbraw/zinc/43/27/59/609432759.db2.gz QRYJVHATYQNCLZ-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000937979092 609432761 /nfs/dbraw/zinc/43/27/61/609432761.db2.gz QRYJVHATYQNCLZ-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000937979091 609432834 /nfs/dbraw/zinc/43/28/34/609432834.db2.gz QRYJVHATYQNCLZ-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000937979091 609432835 /nfs/dbraw/zinc/43/28/35/609432835.db2.gz QRYJVHATYQNCLZ-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)C1 ZINC000907991820 609634564 /nfs/dbraw/zinc/63/45/64/609634564.db2.gz STKMSZKVHHHMNQ-QGZVFWFLSA-N 1 3 338.496 0.193 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)C1 ZINC000907991820 609634566 /nfs/dbraw/zinc/63/45/66/609634566.db2.gz STKMSZKVHHHMNQ-QGZVFWFLSA-N 1 3 338.496 0.193 20 0 ECADHO CC(C)[C@H](CNC(=S)NC1CC[NH+](C)CC1)N1CCN(C)CC1 ZINC000920308426 609679105 /nfs/dbraw/zinc/67/91/05/609679105.db2.gz MOBSTRDGEHABKJ-INIZCTEOSA-N 1 3 341.569 0.817 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CCC1 ZINC000938319294 609732883 /nfs/dbraw/zinc/73/28/83/609732883.db2.gz JXBIEZQQFHVQHM-AWEZNQCLSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@H]1C[NH3+] ZINC000910958751 609783006 /nfs/dbraw/zinc/78/30/06/609783006.db2.gz PAVZIKQLNPCOOC-CABCVRRESA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000910961156 609783307 /nfs/dbraw/zinc/78/33/07/609783307.db2.gz AHAOAMDAROVDKO-DJIMGWMZSA-N 1 3 346.475 0.329 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000910969769 609785711 /nfs/dbraw/zinc/78/57/11/609785711.db2.gz GWHWFMJTOXVNDB-IRXDYDNUSA-N 1 3 346.475 0.473 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)C(C)C ZINC000911093102 609803061 /nfs/dbraw/zinc/80/30/61/609803061.db2.gz WGRQVPBGZKTAME-OAHLLOKOSA-N 1 3 326.485 0.679 20 0 ECADHO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCN(CCCCCO)CC1 ZINC000913695673 609813332 /nfs/dbraw/zinc/81/33/32/609813332.db2.gz MMWNUOQPHMVVGH-INIZCTEOSA-N 1 3 325.453 0.014 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911324551 609848019 /nfs/dbraw/zinc/84/80/19/609848019.db2.gz FPNZKZUADSWGQE-GPMSIDNRSA-N 1 3 348.491 0.864 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@H]1CCCN3CCCC[C@@H]13)C2 ZINC000911325399 609848393 /nfs/dbraw/zinc/84/83/93/609848393.db2.gz SXNCATRKJDMLAU-QRJUGERDSA-N 1 3 334.464 0.458 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000911431634 609871303 /nfs/dbraw/zinc/87/13/03/609871303.db2.gz CDTIEMIFPCLBOS-PMUMKWKESA-N 1 3 336.480 0.624 20 0 ECADHO CCCN(C(=O)C(=O)NCCN1CCC(C)(C)C1)C1CC[NH2+]CC1 ZINC000911529229 609885763 /nfs/dbraw/zinc/88/57/63/609885763.db2.gz ASEWANSWVFYHGV-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000911535092 609887098 /nfs/dbraw/zinc/88/70/98/609887098.db2.gz ZDBDGIXRYAVBIY-SFHVURJKSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911516457 609889264 /nfs/dbraw/zinc/88/92/64/609889264.db2.gz KCDGYAWSJZDAKC-IAGOWNOFSA-N 1 3 344.459 0.670 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911519205 609890927 /nfs/dbraw/zinc/89/09/27/609890927.db2.gz GUCPXQDHRRMYPQ-HZPDHXFCSA-N 1 3 344.459 0.575 20 0 ECADHO O=C(C1CC[NH+](C[C@H](O)CN2CCCC2)CC1)N1CCOCC1 ZINC000915360131 609910269 /nfs/dbraw/zinc/91/02/69/609910269.db2.gz PPVJXLKBAVWNNZ-MRXNPFEDSA-N 1 3 325.453 0.014 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000916073032 609930828 /nfs/dbraw/zinc/93/08/28/609930828.db2.gz KMKRBMPQZNUGGH-CQSZACIVSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)C(=O)CN2CCCC2)C1 ZINC000939696376 610088910 /nfs/dbraw/zinc/08/89/10/610088910.db2.gz VFNBFKFHCPUBLH-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)C(=O)CN2CCCC2)C1 ZINC000939696376 610088911 /nfs/dbraw/zinc/08/89/11/610088911.db2.gz VFNBFKFHCPUBLH-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000941669994 610443834 /nfs/dbraw/zinc/44/38/34/610443834.db2.gz YGUTUQMQFRNJED-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000941669994 610443836 /nfs/dbraw/zinc/44/38/36/610443836.db2.gz YGUTUQMQFRNJED-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)CN2CCC[C@H]2C)C1)[NH+](C)C ZINC000942433868 610458986 /nfs/dbraw/zinc/45/89/86/610458986.db2.gz VOVGXONITPRFDC-BFYDXBDKSA-N 1 3 338.496 0.774 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941408825 610722777 /nfs/dbraw/zinc/72/27/77/610722777.db2.gz WEEVGWYBTMDHRM-IBGZPJMESA-N 1 3 346.519 0.957 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000944884400 610828776 /nfs/dbraw/zinc/82/87/76/610828776.db2.gz NUHXKHCVEUMSDJ-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000944884400 610828778 /nfs/dbraw/zinc/82/87/78/610828778.db2.gz NUHXKHCVEUMSDJ-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000943385464 610830955 /nfs/dbraw/zinc/83/09/55/610830955.db2.gz UTYKOLRFKRAIJL-AWEZNQCLSA-N 1 3 345.447 0.545 20 0 ECADHO C[C@H](CNC(=O)CN(C)C[C@H]1CCOC1)[N@H+](C)C[C@@H]1CCOC1 ZINC000929792666 611794010 /nfs/dbraw/zinc/79/40/10/611794010.db2.gz PMNZLVAZCVKFPK-OAGGEKHMSA-N 1 3 327.469 0.428 20 0 ECADHO C[C@H](CNC(=O)CN(C)C[C@H]1CCOC1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000929792666 611794013 /nfs/dbraw/zinc/79/40/13/611794013.db2.gz PMNZLVAZCVKFPK-OAGGEKHMSA-N 1 3 327.469 0.428 20 0 ECADHO CCOCCCNC(=O)[C@@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452870 611245783 /nfs/dbraw/zinc/24/57/83/611245783.db2.gz IWXQMKSQVZOAIA-CABCVRRESA-N 1 3 327.469 0.748 20 0 ECADHO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517873 611296386 /nfs/dbraw/zinc/29/63/86/611296386.db2.gz KGZUPSUSNNLMLA-LVQVYYBASA-N 1 3 336.480 0.386 20 0 ECADHO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517873 611296387 /nfs/dbraw/zinc/29/63/87/611296387.db2.gz KGZUPSUSNNLMLA-LVQVYYBASA-N 1 3 336.480 0.386 20 0 ECADHO [NH3+]C1(CNC(=O)c2[nH]nc3c2CNCC3)C2CC3CC(C2)CC1C3 ZINC000842515136 611314846 /nfs/dbraw/zinc/31/48/46/611314846.db2.gz UHXOCQUUMCYANZ-UHFFFAOYSA-N 1 3 329.448 0.939 20 0 ECADHO [NH3+]C[C@@H](NS(=O)(=O)N1CCNCC1)c1ccc2ccccc2c1 ZINC000923637948 611334283 /nfs/dbraw/zinc/33/42/83/611334283.db2.gz XNKZXULAMFUEKU-MRXNPFEDSA-N 1 3 334.445 0.579 20 0 ECADHO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923666221 611338453 /nfs/dbraw/zinc/33/84/53/611338453.db2.gz MXDCBZCFWRHHBX-UHFFFAOYSA-N 1 3 330.498 0.477 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000929243360 611739337 /nfs/dbraw/zinc/73/93/37/611739337.db2.gz GHCZSYJPEVFCKF-UHFFFAOYSA-N 1 3 338.496 0.827 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000929867655 611801951 /nfs/dbraw/zinc/80/19/51/611801951.db2.gz PNDOVGDRVMCCLN-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000929867655 611801952 /nfs/dbraw/zinc/80/19/52/611801952.db2.gz PNDOVGDRVMCCLN-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CC(C)(C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1)N1CCCC1 ZINC000949154052 611878780 /nfs/dbraw/zinc/87/87/80/611878780.db2.gz MVSIDNSADWLVJM-UHFFFAOYSA-N 1 3 339.480 0.547 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCOC3(CC[NH+](CCCO)CC3)C2)C1 ZINC000949188890 611894130 /nfs/dbraw/zinc/89/41/30/611894130.db2.gz DOAIMAZOJBGOHJ-MRXNPFEDSA-N 1 3 339.480 0.404 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000952032466 612190872 /nfs/dbraw/zinc/19/08/72/612190872.db2.gz XIZHKQYFVHYFSS-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000951413605 612214348 /nfs/dbraw/zinc/21/43/48/612214348.db2.gz NRGITXKSEVXKRC-GJZGRUSLSA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000951413605 612214350 /nfs/dbraw/zinc/21/43/50/612214350.db2.gz NRGITXKSEVXKRC-GJZGRUSLSA-N 1 3 347.463 0.710 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954495905 612329326 /nfs/dbraw/zinc/32/93/26/612329326.db2.gz MZYVUZTXLDWDAH-HOTGVXAUSA-N 1 3 336.480 0.624 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954495905 612329331 /nfs/dbraw/zinc/32/93/31/612329331.db2.gz MZYVUZTXLDWDAH-HOTGVXAUSA-N 1 3 336.480 0.624 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000954502505 612338388 /nfs/dbraw/zinc/33/83/88/612338388.db2.gz FVLQSGZFYQOOTC-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954502505 612338392 /nfs/dbraw/zinc/33/83/92/612338392.db2.gz FVLQSGZFYQOOTC-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000953904609 612418397 /nfs/dbraw/zinc/41/83/97/612418397.db2.gz GLABGUXAACPHRX-GOEBONIOSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000953904609 612418399 /nfs/dbraw/zinc/41/83/99/612418399.db2.gz GLABGUXAACPHRX-GOEBONIOSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000955344894 612472670 /nfs/dbraw/zinc/47/26/70/612472670.db2.gz RHWWYRICOCRITO-CQSZACIVSA-N 1 3 334.464 0.093 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000955443416 612590898 /nfs/dbraw/zinc/59/08/98/612590898.db2.gz FZXDTXQHZURHLV-DZGCQCFKSA-N 1 3 347.463 0.742 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000955445696 612595550 /nfs/dbraw/zinc/59/55/50/612595550.db2.gz OKKPDKZMXZFTEF-GOEBONIOSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000955445696 612595553 /nfs/dbraw/zinc/59/55/53/612595553.db2.gz OKKPDKZMXZFTEF-GOEBONIOSA-N 1 3 345.447 0.638 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954722886 612603248 /nfs/dbraw/zinc/60/32/48/612603248.db2.gz IHYHVMSELSGCTO-MRXNPFEDSA-N 1 3 347.463 0.742 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954722886 612603250 /nfs/dbraw/zinc/60/32/50/612603250.db2.gz IHYHVMSELSGCTO-MRXNPFEDSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC000956021379 612620592 /nfs/dbraw/zinc/62/05/92/612620592.db2.gz AFXNTYUYIMQOSG-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC000956021379 612620596 /nfs/dbraw/zinc/62/05/96/612620596.db2.gz AFXNTYUYIMQOSG-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000954096534 612655755 /nfs/dbraw/zinc/65/57/55/612655755.db2.gz SKOHSZMUVZBTIJ-UHFFFAOYSA-N 1 3 348.491 0.627 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000956076816 612680636 /nfs/dbraw/zinc/68/06/36/612680636.db2.gz DJQXHLPEPGVXIY-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000954834771 612728028 /nfs/dbraw/zinc/72/80/28/612728028.db2.gz HCMKOTZVHWETIN-AWEZNQCLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000954834771 612728029 /nfs/dbraw/zinc/72/80/29/612728029.db2.gz HCMKOTZVHWETIN-AWEZNQCLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000954841392 612736624 /nfs/dbraw/zinc/73/66/24/612736624.db2.gz XYNIVHAVRHUDEG-AWEZNQCLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000954841392 612736627 /nfs/dbraw/zinc/73/66/27/612736627.db2.gz XYNIVHAVRHUDEG-AWEZNQCLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC000954357115 612873798 /nfs/dbraw/zinc/87/37/98/612873798.db2.gz NBNUQYRRBIERER-DLBZAZTESA-N 1 3 348.491 0.338 20 0 ECADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954357231 612874228 /nfs/dbraw/zinc/87/42/28/612874228.db2.gz PRTPSELVTMOJRP-HZPDHXFCSA-N 1 3 334.464 0.092 20 0 ECADHO CNC(=O)CN1CCCC12CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164686144 719704283 /nfs/dbraw/zinc/70/42/83/719704283.db2.gz XMHCDPJMTAQKSI-UHFFFAOYSA-N 1 3 344.463 0.303 20 0 ECADHO C[C@@H](O)CCC[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561685 735534415 /nfs/dbraw/zinc/53/44/15/735534415.db2.gz MGGVITVOQNZMMZ-MRXNPFEDSA-N 1 3 341.496 0.529 20 0 ECADHO C[C@@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561685 735534418 /nfs/dbraw/zinc/53/44/18/735534418.db2.gz MGGVITVOQNZMMZ-MRXNPFEDSA-N 1 3 341.496 0.529 20 0 ECADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001024985427 738462813 /nfs/dbraw/zinc/46/28/13/738462813.db2.gz QNPCRSCHLKPRCF-HUUCEWRRSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@@H](N[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1)C(N)=O ZINC000969458488 731904059 /nfs/dbraw/zinc/90/40/59/731904059.db2.gz ROVHHCGXVDOPSY-NVXWUHKLSA-N 1 3 346.475 0.859 20 0 ECADHO Cn1cncc1CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969458635 731905785 /nfs/dbraw/zinc/90/57/85/731905785.db2.gz TYPYBGVKUKNELC-NVXWUHKLSA-N 1 3 331.464 0.985 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC000969846538 732435462 /nfs/dbraw/zinc/43/54/62/732435462.db2.gz YALGTVVXFDUKAR-RBSFLKMASA-N 1 3 345.509 0.198 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000970150742 732995283 /nfs/dbraw/zinc/99/52/83/732995283.db2.gz XVFZVNTYBOSJBX-BMFZPTHFSA-N 1 3 345.447 0.496 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000970150742 732995287 /nfs/dbraw/zinc/99/52/87/732995287.db2.gz XVFZVNTYBOSJBX-BMFZPTHFSA-N 1 3 345.447 0.496 20 0 ECADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001167232447 733076323 /nfs/dbraw/zinc/07/63/23/733076323.db2.gz CSKFFCNPRRCTFX-AWEZNQCLSA-N 1 3 345.509 0.249 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(CNCc2cnnn2C)CC1 ZINC001167236847 733083504 /nfs/dbraw/zinc/08/35/04/733083504.db2.gz QPYMVKSPAXPCLG-UKRRQHHQSA-N 1 3 334.468 0.389 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1(CNCc2cnnn2C)CC1 ZINC001167236847 733083507 /nfs/dbraw/zinc/08/35/07/733083507.db2.gz QPYMVKSPAXPCLG-UKRRQHHQSA-N 1 3 334.468 0.389 20 0 ECADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240960 733087833 /nfs/dbraw/zinc/08/78/33/733087833.db2.gz XINIYNZMEYQSIM-CQSZACIVSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000970447058 733544457 /nfs/dbraw/zinc/54/44/57/733544457.db2.gz ITEUSARHJSUMMT-CVEARBPZSA-N 1 3 334.464 0.187 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000970478548 733592940 /nfs/dbraw/zinc/59/29/40/733592940.db2.gz LNLQLVWPRSFUHE-NVXWUHKLSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000970478548 733592945 /nfs/dbraw/zinc/59/29/45/733592945.db2.gz LNLQLVWPRSFUHE-NVXWUHKLSA-N 1 3 344.459 0.818 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)CN2CCCC2)C1=O ZINC001025160752 738739054 /nfs/dbraw/zinc/73/90/54/738739054.db2.gz SSMYEAHITIVMTK-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO COC[C@@H](C)N1CC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970558453 733674259 /nfs/dbraw/zinc/67/42/59/733674259.db2.gz CZVHNTKVIBTPLD-ZIAGYGMSSA-N 1 3 337.468 0.530 20 0 ECADHO O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001025168792 738752239 /nfs/dbraw/zinc/75/22/39/738752239.db2.gz WPJLTVQNWFCGIA-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCC(NCc2ccnc(OC)n2)CC1 ZINC001203204019 734741718 /nfs/dbraw/zinc/74/17/18/734741718.db2.gz WUGJJQGDHHTVNT-UHFFFAOYSA-N 1 3 335.452 0.908 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCC(NCc2ccnc(OC)n2)CC1 ZINC001203204019 734741721 /nfs/dbraw/zinc/74/17/21/734741721.db2.gz WUGJJQGDHHTVNT-UHFFFAOYSA-N 1 3 335.452 0.908 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861759 735266375 /nfs/dbraw/zinc/26/63/75/735266375.db2.gz URXCHXURUQGEBJ-MRXNPFEDSA-N 1 3 348.491 0.770 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861757 735266494 /nfs/dbraw/zinc/26/64/94/735266494.db2.gz URXCHXURUQGEBJ-INIZCTEOSA-N 1 3 348.491 0.770 20 0 ECADHO CCOCC[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562600 735583456 /nfs/dbraw/zinc/58/34/56/735583456.db2.gz ZIEFNTLVOOTPFA-UHFFFAOYSA-N 1 3 327.469 0.404 20 0 ECADHO CCOCC[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562600 735583460 /nfs/dbraw/zinc/58/34/60/735583460.db2.gz ZIEFNTLVOOTPFA-UHFFFAOYSA-N 1 3 327.469 0.404 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccnn2C)C1 ZINC000972330325 735955504 /nfs/dbraw/zinc/95/55/04/735955504.db2.gz DYXNSRSIOHZWDC-NVXWUHKLSA-N 1 3 333.480 0.980 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC000972330325 735955508 /nfs/dbraw/zinc/95/55/08/735955508.db2.gz DYXNSRSIOHZWDC-NVXWUHKLSA-N 1 3 333.480 0.980 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001023130541 736525697 /nfs/dbraw/zinc/52/56/97/736525697.db2.gz TZKYRCALABARRA-LZWOXQAQSA-N 1 3 330.432 0.487 20 0 ECADHO CNC(=O)CN1CCC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023469748 736881198 /nfs/dbraw/zinc/88/11/98/736881198.db2.gz MSEHCBYHFLGUDE-ZDUSSCGKSA-N 1 3 329.404 0.522 20 0 ECADHO CNC(=O)CN1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469748 736881200 /nfs/dbraw/zinc/88/12/00/736881200.db2.gz MSEHCBYHFLGUDE-ZDUSSCGKSA-N 1 3 329.404 0.522 20 0 ECADHO Cc1nc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001087245403 737067871 /nfs/dbraw/zinc/06/78/71/737067871.db2.gz RADBLBOCDYYRRI-SNPRPXQTSA-N 1 3 334.468 0.782 20 0 ECADHO Cc1nc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001087245403 737067874 /nfs/dbraw/zinc/06/78/74/737067874.db2.gz RADBLBOCDYYRRI-SNPRPXQTSA-N 1 3 334.468 0.782 20 0 ECADHO Cc1nc(C)n(CCN2CCC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023746040 737287626 /nfs/dbraw/zinc/28/76/26/737287626.db2.gz LTPDYDOPHCXMOH-IAGOWNOFSA-N 1 3 348.495 0.675 20 0 ECADHO Cc1nc(C)n(CCN2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001023746040 737287629 /nfs/dbraw/zinc/28/76/29/737287629.db2.gz LTPDYDOPHCXMOH-IAGOWNOFSA-N 1 3 348.495 0.675 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001067462246 737305954 /nfs/dbraw/zinc/30/59/54/737305954.db2.gz FRPQMZWHUGQBCT-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067462246 737305956 /nfs/dbraw/zinc/30/59/56/737305956.db2.gz FRPQMZWHUGQBCT-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024180186 737801647 /nfs/dbraw/zinc/80/16/47/737801647.db2.gz UQNQLBQZECFQII-HOCLYGCPSA-N 1 3 347.463 0.790 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024180187 737801762 /nfs/dbraw/zinc/80/17/62/737801762.db2.gz UQNQLBQZECFQII-ZBFHGGJFSA-N 1 3 347.463 0.790 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]Cc3cnnn3C)C2)CC1 ZINC001024212579 737816499 /nfs/dbraw/zinc/81/64/99/737816499.db2.gz PQLDUPVTSLFNTE-MRXNPFEDSA-N 1 3 348.495 0.875 20 0 ECADHO CC[C@H](C(=O)N1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001006456262 751404888 /nfs/dbraw/zinc/40/48/88/751404888.db2.gz KTJCMUHIWVYBNT-UKRRQHHQSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001112009552 739320223 /nfs/dbraw/zinc/32/02/23/739320223.db2.gz IKNGHKRBZGCXSK-DAYGRLMNSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001112009552 739320226 /nfs/dbraw/zinc/32/02/26/739320226.db2.gz IKNGHKRBZGCXSK-DAYGRLMNSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000973467340 739338907 /nfs/dbraw/zinc/33/89/07/739338907.db2.gz KHBSLCHHCWIZNJ-RBSFLKMASA-N 1 3 334.464 0.187 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1)N(C)C ZINC001104641543 739350668 /nfs/dbraw/zinc/35/06/68/739350668.db2.gz UWBIZDNZNPRMQG-BRWVUGGUSA-N 1 3 343.512 0.656 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001104690320 739489228 /nfs/dbraw/zinc/48/92/28/739489228.db2.gz DQXZRVAKGJGHIZ-KFWWJZLASA-N 1 3 347.525 0.445 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000982012568 751462191 /nfs/dbraw/zinc/46/21/91/751462191.db2.gz ACJLJCCQBSKEMC-HOTGVXAUSA-N 1 3 346.479 0.400 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000982012568 751462193 /nfs/dbraw/zinc/46/21/93/751462193.db2.gz ACJLJCCQBSKEMC-HOTGVXAUSA-N 1 3 346.479 0.400 20 0 ECADHO C[C@@H](NC(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCCN(CC(N)=O)C1 ZINC001025473594 739628105 /nfs/dbraw/zinc/62/81/05/739628105.db2.gz GWCCAIDQEGJENK-OCCSQVGLSA-N 1 3 329.404 0.650 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025780044 739938144 /nfs/dbraw/zinc/93/81/44/739938144.db2.gz MYALIPFEHVPEGB-JJTUDDRGSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025780044 739938145 /nfs/dbraw/zinc/93/81/45/739938145.db2.gz MYALIPFEHVPEGB-JJTUDDRGSA-N 1 3 348.491 0.526 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099909 740374149 /nfs/dbraw/zinc/37/41/49/740374149.db2.gz LNWOJBRVOCTOQC-NRKLIOEPSA-N 1 3 344.463 0.341 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099909 740374151 /nfs/dbraw/zinc/37/41/51/740374151.db2.gz LNWOJBRVOCTOQC-NRKLIOEPSA-N 1 3 344.463 0.341 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001026142855 740416622 /nfs/dbraw/zinc/41/66/22/740416622.db2.gz ZHZUIEQYDODMEX-WTEFKJMHSA-N 1 3 330.432 0.734 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001026142855 740416625 /nfs/dbraw/zinc/41/66/25/740416625.db2.gz ZHZUIEQYDODMEX-WTEFKJMHSA-N 1 3 330.432 0.734 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1 ZINC001104809581 740543131 /nfs/dbraw/zinc/54/31/31/740543131.db2.gz LJIHPWNKOYBUQY-HZPDHXFCSA-N 1 3 340.512 0.927 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4cnnn4C)[C@@H]3C2)CCC1 ZINC001026283785 740743743 /nfs/dbraw/zinc/74/37/43/740743743.db2.gz MTMVSBGFQKLMSI-NUEKZKHPSA-N 1 3 346.479 0.626 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000974149113 741016103 /nfs/dbraw/zinc/01/61/03/741016103.db2.gz CPLPXQGSMKPUHJ-SOUVJXGZSA-N 1 3 336.480 0.433 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000974149113 741016110 /nfs/dbraw/zinc/01/61/10/741016110.db2.gz CPLPXQGSMKPUHJ-SOUVJXGZSA-N 1 3 336.480 0.433 20 0 ECADHO O=C(C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]12)N1CCCC1 ZINC001026365672 741063730 /nfs/dbraw/zinc/06/37/30/741063730.db2.gz ZTVZZKJWOVZRAA-FVQBIDKESA-N 1 3 345.447 0.401 20 0 ECADHO Cn1ccc(CN[C@@H]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]23)n1 ZINC001026400263 741239335 /nfs/dbraw/zinc/23/93/35/741239335.db2.gz HAWPLUCQMMUDIE-HYVNUMGLSA-N 1 3 343.475 0.843 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001026560785 741555618 /nfs/dbraw/zinc/55/56/18/741555618.db2.gz DJTZRWQPHDRBLF-FHERZECASA-N 1 3 336.480 0.720 20 0 ECADHO COc1ccc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001026852921 741969707 /nfs/dbraw/zinc/96/97/07/741969707.db2.gz UATSLBXMKSWNSC-IJEWVQPXSA-N 1 3 347.463 0.764 20 0 ECADHO COc1ccc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001026852921 741969710 /nfs/dbraw/zinc/96/97/10/741969710.db2.gz UATSLBXMKSWNSC-IJEWVQPXSA-N 1 3 347.463 0.764 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC001026887978 742044807 /nfs/dbraw/zinc/04/48/07/742044807.db2.gz YWXLGZVTPZIBMI-YJBOKZPZSA-N 1 3 346.475 0.664 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001026920540 742087219 /nfs/dbraw/zinc/08/72/19/742087219.db2.gz CZWBPKXNOPDQKD-ZBFHGGJFSA-N 1 3 347.463 0.908 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001027037452 742351709 /nfs/dbraw/zinc/35/17/09/742351709.db2.gz UULGZNCOQAVXLG-CQSZACIVSA-N 1 3 347.463 0.765 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001027063419 742431554 /nfs/dbraw/zinc/43/15/54/742431554.db2.gz LAORZAXTSJEXBB-CABCVRRESA-N 1 3 334.468 0.720 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001027063419 742431556 /nfs/dbraw/zinc/43/15/56/742431556.db2.gz LAORZAXTSJEXBB-CABCVRRESA-N 1 3 334.468 0.720 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)nn1 ZINC001027063924 742432477 /nfs/dbraw/zinc/43/24/77/742432477.db2.gz VPSSCDNFIADCHI-HUUCEWRRSA-N 1 3 347.463 0.908 20 0 ECADHO CCn1c(C)nnc1CNC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001027065095 742435504 /nfs/dbraw/zinc/43/55/04/742435504.db2.gz QYECJRGNXLWBFM-GDBMZVCRSA-N 1 3 348.495 0.886 20 0 ECADHO CCn1c(C)nnc1CNC[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001027065095 742435505 /nfs/dbraw/zinc/43/55/05/742435505.db2.gz QYECJRGNXLWBFM-GDBMZVCRSA-N 1 3 348.495 0.886 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001027172843 743002338 /nfs/dbraw/zinc/00/23/38/743002338.db2.gz FHDOILYCINGNRN-CQSZACIVSA-N 1 3 345.447 0.519 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC000997041537 743161861 /nfs/dbraw/zinc/16/18/61/743161861.db2.gz LQVNOCKZOYLIKI-CQSZACIVSA-N 1 3 329.408 0.312 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001027217628 743194346 /nfs/dbraw/zinc/19/43/46/743194346.db2.gz NJLIITZVKJFAFK-CQSZACIVSA-N 1 3 333.436 0.519 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997181939 743323735 /nfs/dbraw/zinc/32/37/35/743323735.db2.gz CVUUOALTPIZQTJ-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997181939 743323745 /nfs/dbraw/zinc/32/37/45/743323745.db2.gz CVUUOALTPIZQTJ-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO CCN(CC)C[C@@H](F)C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115559555 743526988 /nfs/dbraw/zinc/52/69/88/743526988.db2.gz AUAARCQNZGXCJV-CYBMUJFWSA-N 1 3 330.448 0.560 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001020586736 751845146 /nfs/dbraw/zinc/84/51/46/751845146.db2.gz XOYZDZGATTVGQH-XGUBFFRZSA-N 1 3 343.493 0.142 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H]1C)N(C)C ZINC001020592147 751861351 /nfs/dbraw/zinc/86/13/51/751861351.db2.gz MDBZBTAIIXZSTN-VGWMRTNUSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H]1C)N(C)C ZINC001020592147 751861358 /nfs/dbraw/zinc/86/13/58/751861358.db2.gz MDBZBTAIIXZSTN-VGWMRTNUSA-N 1 3 338.496 0.774 20 0 ECADHO CN(CC(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1)C1CCC1 ZINC000997830640 743841709 /nfs/dbraw/zinc/84/17/09/743841709.db2.gz KXUSXTFCEKNWQJ-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000998081318 743966497 /nfs/dbraw/zinc/96/64/97/743966497.db2.gz IVSWVQSTTZZGBF-CQSZACIVSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC000998082195 743967949 /nfs/dbraw/zinc/96/79/49/743967949.db2.gz OEIPGTOWBJESNO-HOCLYGCPSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000976866435 744420029 /nfs/dbraw/zinc/42/00/29/744420029.db2.gz CBAAIIPREZKLEN-POORBHPNSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000976866435 744420033 /nfs/dbraw/zinc/42/00/33/744420033.db2.gz CBAAIIPREZKLEN-POORBHPNSA-N 1 3 348.491 0.386 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]21 ZINC000976927820 744500000 /nfs/dbraw/zinc/50/00/00/744500000.db2.gz RADPUMUJDGZNIQ-MXJLERKLSA-N 1 3 345.447 0.031 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@H]21 ZINC000976927820 744500003 /nfs/dbraw/zinc/50/00/03/744500003.db2.gz RADPUMUJDGZNIQ-MXJLERKLSA-N 1 3 345.447 0.031 20 0 ECADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC(NCc2cnnn2C)C1 ZINC000999167481 744545048 /nfs/dbraw/zinc/54/50/48/744545048.db2.gz FFRNFKLRIAPZIT-VMBOVVBDSA-N 1 3 346.479 0.769 20 0 ECADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999169161 744546318 /nfs/dbraw/zinc/54/63/18/744546318.db2.gz IYDQJPPMYHMRTM-NVXWUHKLSA-N 1 3 331.464 0.843 20 0 ECADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n[nH]1 ZINC000999173639 744548867 /nfs/dbraw/zinc/54/88/67/744548867.db2.gz KYCRVXRDDINQPQ-LSDHHAIUSA-N 1 3 332.452 0.536 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1)C1CC1 ZINC000999368996 744659588 /nfs/dbraw/zinc/65/95/88/744659588.db2.gz IHFXZQGTWQQZDB-DOTOQJQBSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CC)C[C@@H](F)C(=O)NCC1CC([NH2+]CC(=O)NC(C)C)C1 ZINC001100377764 751941924 /nfs/dbraw/zinc/94/19/24/751941924.db2.gz KQELIZNTAQKDQC-YMAMQOFZSA-N 1 3 344.475 0.675 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC(=O)N2CCCCC2)C1 ZINC000999834169 744929083 /nfs/dbraw/zinc/92/90/83/744929083.db2.gz TXTUHDQAXBOULO-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999847282 744940005 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347.463 0.268 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105360621 751976418 /nfs/dbraw/zinc/97/64/18/751976418.db2.gz CUOMOKDOATYSBN-AWEZNQCLSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105360621 751976419 /nfs/dbraw/zinc/97/64/19/751976419.db2.gz CUOMOKDOATYSBN-AWEZNQCLSA-N 1 3 334.468 0.749 20 0 ECADHO CN(C[C@H]1CCN1C(=O)[C@@H]1CCCN1C)C(=O)C1CC[NH+](C)CC1 ZINC000977928063 745682448 /nfs/dbraw/zinc/68/24/48/745682448.db2.gz RFUAOLYHXBGIMB-CVEARBPZSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000978071726 745878738 /nfs/dbraw/zinc/87/87/38/745878738.db2.gz RTVMPNXLJHXYRU-HNNXBMFYSA-N 1 3 334.464 0.237 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001000916437 745895884 /nfs/dbraw/zinc/89/58/84/745895884.db2.gz ICYCCVWSUOMJLG-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001000916437 745895886 /nfs/dbraw/zinc/89/58/86/745895886.db2.gz ICYCCVWSUOMJLG-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001000916435 745895925 /nfs/dbraw/zinc/89/59/25/745895925.db2.gz ICYCCVWSUOMJLG-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001000916435 745895929 /nfs/dbraw/zinc/89/59/29/745895929.db2.gz ICYCCVWSUOMJLG-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCn1cncn1 ZINC001087749997 746284307 /nfs/dbraw/zinc/28/43/07/746284307.db2.gz MMLKVCJOWDQHNW-DLBZAZTESA-N 1 3 348.495 0.979 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001001415779 746355851 /nfs/dbraw/zinc/35/58/51/746355851.db2.gz SPBYGKURHZJSQX-CVEARBPZSA-N 1 3 336.480 0.420 20 0 ECADHO CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978554896 746425014 /nfs/dbraw/zinc/42/50/14/746425014.db2.gz JHUKFCQELFRBRI-PIMZTRDMSA-N 1 3 333.476 0.800 20 0 ECADHO CC(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978554896 746425017 /nfs/dbraw/zinc/42/50/17/746425017.db2.gz JHUKFCQELFRBRI-PIMZTRDMSA-N 1 3 333.476 0.800 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001001884109 746783713 /nfs/dbraw/zinc/78/37/13/746783713.db2.gz BECPNGRYYNIRCY-CVEARBPZSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001001884109 746783716 /nfs/dbraw/zinc/78/37/16/746783716.db2.gz BECPNGRYYNIRCY-CVEARBPZSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984702960 746862050 /nfs/dbraw/zinc/86/20/50/746862050.db2.gz AQBQNTSLFUCFAX-OAHLLOKOSA-N 1 3 345.447 0.497 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001002083226 746960171 /nfs/dbraw/zinc/96/01/71/746960171.db2.gz JDQSSSNFYOXBRD-RHSMWYFYSA-N 1 3 348.491 0.387 20 0 ECADHO 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336.480 0.482 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985497971 748302562 /nfs/dbraw/zinc/30/25/62/748302562.db2.gz DGNQHUAILAVJDN-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985497971 748302570 /nfs/dbraw/zinc/30/25/70/748302570.db2.gz DGNQHUAILAVJDN-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO O=C(NC1CCN(CCN2CCNC2=O)CC1)C12CCC[NH+]1CCC2 ZINC001003242385 748336168 /nfs/dbraw/zinc/33/61/68/748336168.db2.gz FASSYTPMEWQYIX-UHFFFAOYSA-N 1 3 349.479 0.221 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000979782408 748384699 /nfs/dbraw/zinc/38/46/99/748384699.db2.gz ZZZYLDGSIMZBIQ-IHRRRGAJSA-N 1 3 333.436 0.223 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979782408 748384706 /nfs/dbraw/zinc/38/47/06/748384706.db2.gz ZZZYLDGSIMZBIQ-IHRRRGAJSA-N 1 3 333.436 0.223 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)[C@@H]1CCNC1=O ZINC001029799862 748467384 /nfs/dbraw/zinc/46/73/84/748467384.db2.gz FTNQRLISPLFVNE-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CCCCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001088327069 748735761 /nfs/dbraw/zinc/73/57/61/748735761.db2.gz FNBXSERXEMHRIN-GDBMZVCRSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CCn2cncn2)CC1)N(C)C ZINC000985636214 748772981 /nfs/dbraw/zinc/77/29/81/748772981.db2.gz FGRBFCVTBGRVLJ-MRXNPFEDSA-N 1 3 336.484 0.787 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1)N(C)C ZINC000985636214 748772984 /nfs/dbraw/zinc/77/29/84/748772984.db2.gz FGRBFCVTBGRVLJ-MRXNPFEDSA-N 1 3 336.484 0.787 20 0 ECADHO Cn1nccc1CCN1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886589 749112024 /nfs/dbraw/zinc/11/20/24/749112024.db2.gz VPNONZDZEJPNTG-ZWKOTPCHSA-N 1 3 345.491 0.885 20 0 ECADHO Cc1noc(CCCN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004141956 749251059 /nfs/dbraw/zinc/25/10/59/749251059.db2.gz DLBXIKPAWUQZGK-CQSZACIVSA-N 1 3 335.452 0.843 20 0 ECADHO Cc1noc(CCCN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004141956 749251063 /nfs/dbraw/zinc/25/10/63/749251063.db2.gz DLBXIKPAWUQZGK-CQSZACIVSA-N 1 3 335.452 0.843 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004376656 749439945 /nfs/dbraw/zinc/43/99/45/749439945.db2.gz XFQIQHQZTHUVEF-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004376656 749439948 /nfs/dbraw/zinc/43/99/48/749439948.db2.gz XFQIQHQZTHUVEF-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(=O)NC)CC1)N(C)C ZINC001004473751 749542642 /nfs/dbraw/zinc/54/26/42/749542642.db2.gz LJOTVVFQPVXATC-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC(=O)NC)CC1)N(C)C ZINC001004473751 749542647 /nfs/dbraw/zinc/54/26/47/749542647.db2.gz LJOTVVFQPVXATC-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1)[NH+]1CCCC1 ZINC000980490392 749646782 /nfs/dbraw/zinc/64/67/82/749646782.db2.gz KCIURMBAMQFIOU-SJORKVTESA-N 1 3 348.495 0.931 20 0 ECADHO C[C@H]1[C@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351539 749839000 /nfs/dbraw/zinc/83/90/00/749839000.db2.gz CJRDHZAEMBFKAB-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC001029947271 750027973 /nfs/dbraw/zinc/02/79/73/750027973.db2.gz MMMGDYWIZSKHSK-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC001029947271 750027978 /nfs/dbraw/zinc/02/79/78/750027978.db2.gz MMMGDYWIZSKHSK-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[C@@H](CNCc2nccn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766627 750119330 /nfs/dbraw/zinc/11/93/30/750119330.db2.gz FDCVEZFVKOUVCI-GJZGRUSLSA-N 1 3 331.464 0.843 20 0 ECADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N[C@@H](C)C(C)C)C1 ZINC001100901710 750173364 /nfs/dbraw/zinc/17/33/64/750173364.db2.gz KBTWCRAPJVUALK-FHERZECASA-N 1 3 340.512 0.973 20 0 ECADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)NC2CCCC2)C1 ZINC001100901718 750173603 /nfs/dbraw/zinc/17/36/03/750173603.db2.gz KKYUPNUBHJYCGX-UHFFFAOYSA-N 1 3 338.496 0.871 20 0 ECADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N[C@@H](C)CC)C1 ZINC001100901722 750178732 /nfs/dbraw/zinc/17/87/32/750178732.db2.gz KNMPQAQZQNJLLJ-NFOMZHRRSA-N 1 3 326.485 0.727 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986811026 750378873 /nfs/dbraw/zinc/37/88/73/750378873.db2.gz MVMMPJHFZBBZME-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256477 750635894 /nfs/dbraw/zinc/63/58/94/750635894.db2.gz SPPPAEHEQLRPJH-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)CN1CCCC1 ZINC000987518535 750926213 /nfs/dbraw/zinc/92/62/13/750926213.db2.gz LIDVHJISYQZEFM-ZBFHGGJFSA-N 1 3 332.448 0.560 20 0 ECADHO COC[C@H](C)N1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646704 750931003 /nfs/dbraw/zinc/93/10/03/750931003.db2.gz RYIPAOLIBRGGNR-UERKLNTKSA-N 1 3 337.464 0.419 20 0 ECADHO COC[C@H](C)N1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646704 750931008 /nfs/dbraw/zinc/93/10/08/750931008.db2.gz RYIPAOLIBRGGNR-UERKLNTKSA-N 1 3 337.464 0.419 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001020929043 752350035 /nfs/dbraw/zinc/35/00/35/752350035.db2.gz SXNPXQRSPOEUFG-UBHSHLNASA-N 1 3 332.452 0.761 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001020929043 752350044 /nfs/dbraw/zinc/35/00/44/752350044.db2.gz SXNPXQRSPOEUFG-UBHSHLNASA-N 1 3 332.452 0.761 20 0 ECADHO COc1cccc(CN[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001020933176 752357497 /nfs/dbraw/zinc/35/74/97/752357497.db2.gz CJVJKCOMVUNTHK-SHTZXODSSA-N 1 3 330.432 0.923 20 0 ECADHO COc1cc(CN[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)sn1 ZINC001020933885 752358982 /nfs/dbraw/zinc/35/89/82/752358982.db2.gz NPWVAPTUBVRRRR-HAQNSBGRSA-N 1 3 336.461 0.984 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001021091009 752531779 /nfs/dbraw/zinc/53/17/79/752531779.db2.gz QZTPQHWDHIGAAS-KBUPBQIOSA-N 1 3 334.468 0.908 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001021093979 752534647 /nfs/dbraw/zinc/53/46/47/752534647.db2.gz JGMSVPVNUBVZOD-BFYDXBDKSA-N 1 3 344.459 0.829 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)n1 ZINC000988968001 753090755 /nfs/dbraw/zinc/09/07/55/753090755.db2.gz QSSLBQCXNVUZMS-BBRMVZONSA-N 1 3 348.495 0.958 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@H]1CCCN1C ZINC000989063074 753200493 /nfs/dbraw/zinc/20/04/93/753200493.db2.gz ROGRXSITQZTNIK-QLFBSQMISA-N 1 3 334.464 0.282 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449406 753944795 /nfs/dbraw/zinc/94/47/95/753944795.db2.gz GXRHJRITPBQALD-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000989489053 754030235 /nfs/dbraw/zinc/03/02/35/754030235.db2.gz WFIYZGXZZLGOPX-WFASDCNBSA-N 1 3 329.404 0.430 20 0 ECADHO C[C@@H]1C[C@H](NCc2cncn2C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989618433 754192748 /nfs/dbraw/zinc/19/27/48/754192748.db2.gz JRPFOBQYMMZKIO-CABCVRRESA-N 1 3 349.479 0.610 20 0 ECADHO CC(C)[C@@H]1N(C(=O)CC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001105660820 755279407 /nfs/dbraw/zinc/27/94/07/755279407.db2.gz YXJMMGJYMSAVBZ-TXCZRRACSA-N 1 3 329.460 0.874 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105661178 755338547 /nfs/dbraw/zinc/33/85/47/755338547.db2.gz FTWTWLILFOGBHD-JOCBIADPSA-N 1 3 341.496 0.287 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000983368778 755433510 /nfs/dbraw/zinc/43/35/10/755433510.db2.gz KNGFZXYRXFMUSO-ZNMIVQPWSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000983368778 755433511 /nfs/dbraw/zinc/43/35/11/755433511.db2.gz KNGFZXYRXFMUSO-ZNMIVQPWSA-N 1 3 347.463 0.647 20 0 ECADHO CN(C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000990607215 755484188 /nfs/dbraw/zinc/48/41/88/755484188.db2.gz HWWJVJSLBAQCLH-HOCLYGCPSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000990607215 755484189 /nfs/dbraw/zinc/48/41/89/755484189.db2.gz HWWJVJSLBAQCLH-HOCLYGCPSA-N 1 3 347.463 0.743 20 0 ECADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001076605466 756724783 /nfs/dbraw/zinc/72/47/83/756724783.db2.gz BNUOHZHRZYNLMN-ARFHVFGLSA-N 1 3 334.464 0.284 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001076745411 756971041 /nfs/dbraw/zinc/97/10/41/756971041.db2.gz CVFRFAFSMBVCPG-RRFJBIMHSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076745411 756971048 /nfs/dbraw/zinc/97/10/48/756971048.db2.gz CVFRFAFSMBVCPG-RRFJBIMHSA-N 1 3 326.485 0.679 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN([C@H](C)C(=O)NC)C[C@H]2C1 ZINC001048850000 757178708 /nfs/dbraw/zinc/17/87/08/757178708.db2.gz WSNIEUHHLXGAPO-LVQVYYBASA-N 1 3 336.480 0.386 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN([C@H](C)C(=O)NC)C[C@H]2C1 ZINC001048850000 757178712 /nfs/dbraw/zinc/17/87/12/757178712.db2.gz WSNIEUHHLXGAPO-LVQVYYBASA-N 1 3 336.480 0.386 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001011251633 757290494 /nfs/dbraw/zinc/29/04/94/757290494.db2.gz QOAZEWNUDQYPHK-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001011251633 757290503 /nfs/dbraw/zinc/29/05/03/757290503.db2.gz QOAZEWNUDQYPHK-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCn3cncn3)C(C)(C)C2)C1 ZINC000996300922 757310326 /nfs/dbraw/zinc/31/03/26/757310326.db2.gz PCIONHGPDPECNU-HUUCEWRRSA-N 1 3 334.468 0.447 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@H]2C1)N(C)C ZINC001048892040 757315266 /nfs/dbraw/zinc/31/52/66/757315266.db2.gz ZYVLHKLMLJFWOO-IXDOHACOSA-N 1 3 348.495 0.625 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@@H]2C1)N(C)C ZINC001048892040 757315270 /nfs/dbraw/zinc/31/52/70/757315270.db2.gz ZYVLHKLMLJFWOO-IXDOHACOSA-N 1 3 348.495 0.625 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001011264775 757333788 /nfs/dbraw/zinc/33/37/88/757333788.db2.gz RBFHPMDVBBSGDA-WMLDXEAASA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001011264775 757333799 /nfs/dbraw/zinc/33/37/99/757333799.db2.gz RBFHPMDVBBSGDA-WMLDXEAASA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048959357 757518272 /nfs/dbraw/zinc/51/82/72/757518272.db2.gz GIJHYEFICHFMGV-YYIAUSFCSA-N 1 3 348.491 0.515 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001011438397 757688417 /nfs/dbraw/zinc/68/84/17/757688417.db2.gz VUPRGGPVVICTDK-MRXNPFEDSA-N 1 3 347.463 0.743 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001011438397 757688425 /nfs/dbraw/zinc/68/84/25/757688425.db2.gz VUPRGGPVVICTDK-MRXNPFEDSA-N 1 3 347.463 0.743 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](N[C@H](C)C(N)=O)C(C)(C)C2)CC1 ZINC000996477001 757758609 /nfs/dbraw/zinc/75/86/09/757758609.db2.gz UOIHJCCHFAUCIQ-HIFRSBDPSA-N 1 3 338.496 0.807 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(CC(=O)N3CCC3)C[C@H]2C1 ZINC001049058472 757811702 /nfs/dbraw/zinc/81/17/02/757811702.db2.gz ZMEONCGGSGDIQA-HRCADAONSA-N 1 3 334.464 0.093 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(CC(=O)N3CCC3)C[C@H]2C1 ZINC001049058472 757811715 /nfs/dbraw/zinc/81/17/15/757811715.db2.gz ZMEONCGGSGDIQA-HRCADAONSA-N 1 3 334.464 0.093 20 0 ECADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996562120 758057448 /nfs/dbraw/zinc/05/74/48/758057448.db2.gz UAPBTGZSCRHIRZ-KRWDZBQOSA-N 1 3 331.464 0.843 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001011647712 758206775 /nfs/dbraw/zinc/20/67/75/758206775.db2.gz JPHAENOMHQZVIK-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001011647712 758206786 /nfs/dbraw/zinc/20/67/86/758206786.db2.gz JPHAENOMHQZVIK-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001022077537 758242879 /nfs/dbraw/zinc/24/28/79/758242879.db2.gz QJHRRJBBYCAQOZ-JONQDZQNSA-N 1 3 346.479 0.909 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001022077537 758242887 /nfs/dbraw/zinc/24/28/87/758242887.db2.gz QJHRRJBBYCAQOZ-JONQDZQNSA-N 1 3 346.479 0.909 20 0 ECADHO Cc1ncc(CNC2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)o1 ZINC000996618100 758253212 /nfs/dbraw/zinc/25/32/12/758253212.db2.gz CYUHNXNXWOVXSL-RDJZCZTQSA-N 1 3 348.447 0.927 20 0 ECADHO Cc1ncc(CNC2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)o1 ZINC000996618100 758253218 /nfs/dbraw/zinc/25/32/18/758253218.db2.gz CYUHNXNXWOVXSL-RDJZCZTQSA-N 1 3 348.447 0.927 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccc(F)cn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001022120117 758304117 /nfs/dbraw/zinc/30/41/17/758304117.db2.gz KUXNZISANBZCLJ-TWMKSMIVSA-N 1 3 348.422 0.821 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccc(F)cn2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001022120117 758304124 /nfs/dbraw/zinc/30/41/24/758304124.db2.gz KUXNZISANBZCLJ-TWMKSMIVSA-N 1 3 348.422 0.821 20 0 ECADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)ncn1 ZINC001022120982 758305166 /nfs/dbraw/zinc/30/51/66/758305166.db2.gz VCLMTLWKJTXRII-FSDCSDTHSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)ncn1 ZINC001022120982 758305174 /nfs/dbraw/zinc/30/51/74/758305174.db2.gz VCLMTLWKJTXRII-FSDCSDTHSA-N 1 3 345.447 0.385 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1)C1CC1 ZINC000996674179 758423604 /nfs/dbraw/zinc/42/36/04/758423604.db2.gz ASBVNXAKGPHASW-CVEARBPZSA-N 1 3 336.480 0.528 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCO ZINC001049609455 758987679 /nfs/dbraw/zinc/98/76/79/758987679.db2.gz GROYXFQMZBKWBG-JBWWOZQKSA-N 1 3 349.475 0.297 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCO ZINC001049609455 758987682 /nfs/dbraw/zinc/98/76/82/758987682.db2.gz GROYXFQMZBKWBG-JBWWOZQKSA-N 1 3 349.475 0.297 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001022808458 759130040 /nfs/dbraw/zinc/13/00/40/759130040.db2.gz VZZVAPFQJFKTJE-XHSDSOJGSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083781341 759398953 /nfs/dbraw/zinc/39/89/53/759398953.db2.gz CXXVRNYUHSHHDS-JKIFEVAISA-N 1 3 327.444 0.770 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083781341 759398963 /nfs/dbraw/zinc/39/89/63/759398963.db2.gz CXXVRNYUHSHHDS-JKIFEVAISA-N 1 3 327.444 0.770 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047871462 759632962 /nfs/dbraw/zinc/63/29/62/759632962.db2.gz YBVRNFWBXVRTPY-ZIAGYGMSSA-N 1 3 334.468 0.626 20 0 ECADHO CCn1cc(CN[C@H](C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001047953083 759741719 /nfs/dbraw/zinc/74/17/19/759741719.db2.gz BGBGQCNFGYYKEH-ZBFHGGJFSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975995 759761525 /nfs/dbraw/zinc/76/15/25/759761525.db2.gz QDICJOXJGCHVTN-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001054296494 767904646 /nfs/dbraw/zinc/90/46/46/767904646.db2.gz VJZVIPGNLJXLHM-OWCLPIDISA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001054296508 767905317 /nfs/dbraw/zinc/90/53/17/767905317.db2.gz XZINKSLOXLHUEY-RBSFLKMASA-N 1 3 334.468 0.686 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001054298392 767907727 /nfs/dbraw/zinc/90/77/27/767907727.db2.gz GHVWTXXDIYQMSB-ZNMIVQPWSA-N 1 3 345.509 0.342 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2=O)CC1 ZINC001050388103 760216961 /nfs/dbraw/zinc/21/69/61/760216961.db2.gz HEISRSZJIOFONT-IHRRRGAJSA-N 1 3 333.436 0.414 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050519506 760415826 /nfs/dbraw/zinc/41/58/26/760415826.db2.gz KBSFOKXKOXQRTE-JKSUJKDBSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050519506 760415836 /nfs/dbraw/zinc/41/58/36/760415836.db2.gz KBSFOKXKOXQRTE-JKSUJKDBSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CNCc1nncn1C ZINC001048397417 760437160 /nfs/dbraw/zinc/43/71/60/760437160.db2.gz QGIPDYGAPLCVRT-HOCLYGCPSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNCc1cn(C)nn1 ZINC001048396433 760437266 /nfs/dbraw/zinc/43/72/66/760437266.db2.gz MIADOGKNARXVGZ-GOEBONIOSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CNCc1nncn1C ZINC001048477816 760591163 /nfs/dbraw/zinc/59/11/63/760591163.db2.gz DGBBJOPOXLUZAJ-HZPDHXFCSA-N 1 3 348.495 0.875 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[NH+](CCn1cccn1)CC2 ZINC001050681932 760660813 /nfs/dbraw/zinc/66/08/13/760660813.db2.gz VKCOJKWUBAPHOU-UHFFFAOYSA-N 1 3 328.420 0.773 20 0 ECADHO Cn1cc(CC[NH+]2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)CC2)cn1 ZINC001050681502 760661312 /nfs/dbraw/zinc/66/13/12/760661312.db2.gz KOZUNLDVYYSUEH-UHFFFAOYSA-N 1 3 342.447 0.853 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001127066791 760706359 /nfs/dbraw/zinc/70/63/59/760706359.db2.gz SEJQKNUJHVKZFP-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001127066791 760706367 /nfs/dbraw/zinc/70/63/67/760706367.db2.gz SEJQKNUJHVKZFP-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CC[C@@H](N2CCC3(CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050729778 760743702 /nfs/dbraw/zinc/74/37/02/760743702.db2.gz BNGBHTUZTAFTSQ-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CC[C@@H](N2CCC3(CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050729778 760743706 /nfs/dbraw/zinc/74/37/06/760743706.db2.gz BNGBHTUZTAFTSQ-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO O=C(N1CC2(C1)CCN([C@H]1CCCNC1=O)CC2)C12CC[NH+](CC1)C2 ZINC001050732137 760750113 /nfs/dbraw/zinc/75/01/13/760750113.db2.gz HNBXOORGUFCSFA-HNNXBMFYSA-N 1 3 346.475 0.285 20 0 ECADHO O=C(N1CC2(C1)CCN([C@@H]1CCCNC1=O)CC2)C12CC[NH+](CC1)C2 ZINC001050732138 760750138 /nfs/dbraw/zinc/75/01/38/760750138.db2.gz HNBXOORGUFCSFA-OAHLLOKOSA-N 1 3 346.475 0.285 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1)N(C)C ZINC000995938314 760847763 /nfs/dbraw/zinc/84/77/63/760847763.db2.gz YBZNJBLUTFUTNZ-CABCVRRESA-N 1 3 336.484 0.691 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001127078766 760851020 /nfs/dbraw/zinc/85/10/20/760851020.db2.gz RPVQBTNEHFUXAE-LSDHHAIUSA-N 1 3 338.496 0.964 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001127078766 760851034 /nfs/dbraw/zinc/85/10/34/760851034.db2.gz RPVQBTNEHFUXAE-LSDHHAIUSA-N 1 3 338.496 0.964 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991423844 760856906 /nfs/dbraw/zinc/85/69/06/760856906.db2.gz HBAOMGIVFOEJRB-HOCLYGCPSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991423844 760856918 /nfs/dbraw/zinc/85/69/18/760856918.db2.gz HBAOMGIVFOEJRB-HOCLYGCPSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CC[C@@H](N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)C1=O ZINC000995993660 760917317 /nfs/dbraw/zinc/91/73/17/760917317.db2.gz CEESHAZAFYOUAN-HUUCEWRRSA-N 1 3 348.491 0.672 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001060257116 761216219 /nfs/dbraw/zinc/21/62/19/761216219.db2.gz YLTDNXVGAWPFIE-OAHLLOKOSA-N 1 3 349.479 0.957 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CCO2)cn1 ZINC001051697428 762719106 /nfs/dbraw/zinc/71/91/06/762719106.db2.gz DTUXBFOFKPZQEZ-MRXNPFEDSA-N 1 3 347.463 0.366 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H](CNCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001051786984 762957584 /nfs/dbraw/zinc/95/75/84/762957584.db2.gz IWIHHOWEMXVACI-XIRDDKMYSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H](CNCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001051786984 762957585 /nfs/dbraw/zinc/95/75/85/762957585.db2.gz IWIHHOWEMXVACI-XIRDDKMYSA-N 1 3 349.479 0.467 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)cn1 ZINC001051905128 763291276 /nfs/dbraw/zinc/29/12/76/763291276.db2.gz ZCWGXJZAIRWBBN-INIZCTEOSA-N 1 3 345.447 0.198 20 0 ECADHO O=C(N1CCO[C@@H](CNCc2cncs2)C1)C12CC[NH+](CC1)C2 ZINC001051905205 763293086 /nfs/dbraw/zinc/29/30/86/763293086.db2.gz ZSLUOHYBTPYMTG-ZDUSSCGKSA-N 1 3 336.461 0.556 20 0 ECADHO CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046958885 763463770 /nfs/dbraw/zinc/46/37/70/763463770.db2.gz RPNHXFVLBJPEMJ-IQXANGCESA-N 1 3 343.418 0.943 20 0 ECADHO CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046958885 763463774 /nfs/dbraw/zinc/46/37/74/763463774.db2.gz RPNHXFVLBJPEMJ-IQXANGCESA-N 1 3 343.418 0.943 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1)N(C)C ZINC001106313039 768138400 /nfs/dbraw/zinc/13/84/00/768138400.db2.gz TVVNCMJGHBQFHP-BFYDXBDKSA-N 1 3 335.496 0.987 20 0 ECADHO CC(C)N(C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001127690554 763540120 /nfs/dbraw/zinc/54/01/20/763540120.db2.gz OCRXJEXSZYDECB-HUUCEWRRSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)N(C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001127690554 763540123 /nfs/dbraw/zinc/54/01/23/763540123.db2.gz OCRXJEXSZYDECB-HUUCEWRRSA-N 1 3 326.485 0.678 20 0 ECADHO Cn1ccc(CNC[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995164594 763827374 /nfs/dbraw/zinc/82/73/74/763827374.db2.gz AXIZVEGMYMJTGZ-GJZGRUSLSA-N 1 3 331.464 0.890 20 0 ECADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127327535 768187609 /nfs/dbraw/zinc/18/76/09/768187609.db2.gz ONLDZNZOGFXUGY-INIZCTEOSA-N 1 3 343.512 0.990 20 0 ECADHO CCCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463730 764419448 /nfs/dbraw/zinc/41/94/48/764419448.db2.gz PGNFRWNINWWJJX-BFKWJSRZSA-N 1 3 337.464 0.153 20 0 ECADHO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463730 764419453 /nfs/dbraw/zinc/41/94/53/764419453.db2.gz PGNFRWNINWWJJX-BFKWJSRZSA-N 1 3 337.464 0.153 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001054740682 768216492 /nfs/dbraw/zinc/21/64/92/768216492.db2.gz XRLTVXBMHFJTGV-RHSMWYFYSA-N 1 3 333.480 0.883 20 0 ECADHO Cc1ccccc1CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047626838 764919324 /nfs/dbraw/zinc/91/93/24/764919324.db2.gz 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C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001017738783 768337600 /nfs/dbraw/zinc/33/76/00/768337600.db2.gz WSUBVZDKFHDFKR-BBRMVZONSA-N 1 3 345.447 0.425 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001053502828 766246887 /nfs/dbraw/zinc/24/68/87/766246887.db2.gz DNNAFQKKCRASMW-KBPBESRZSA-N 1 3 335.452 0.505 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2N(CCn2cncn2)CC3)C1 ZINC000992505686 766740186 /nfs/dbraw/zinc/74/01/86/766740186.db2.gz SKZYIJWUTZAHPZ-ZMSDIMECSA-N 1 3 332.452 0.343 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2N(CCn2cncn2)CC3)C1 ZINC000992505686 766740191 /nfs/dbraw/zinc/74/01/91/766740191.db2.gz SKZYIJWUTZAHPZ-ZMSDIMECSA-N 1 3 332.452 0.343 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707653 766767656 /nfs/dbraw/zinc/76/76/56/766767656.db2.gz YZKNKFYNHOEUAF-GJZGRUSLSA-N 1 3 348.491 0.720 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1)C1CCC1 ZINC000994855808 767044967 /nfs/dbraw/zinc/04/49/67/767044967.db2.gz UGHKFJXJXMIILS-IRXDYDNUSA-N 1 3 348.491 0.815 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1)C1CCC1 ZINC000994855808 767044974 /nfs/dbraw/zinc/04/49/74/767044974.db2.gz UGHKFJXJXMIILS-IRXDYDNUSA-N 1 3 348.491 0.815 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCn2cncn2)C1 ZINC001089732093 767134589 /nfs/dbraw/zinc/13/45/89/767134589.db2.gz LYQAIASBFKOVIQ-HZPDHXFCSA-N 1 3 348.495 0.837 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCn2cncn2)C1 ZINC001089732093 767134590 /nfs/dbraw/zinc/13/45/90/767134590.db2.gz LYQAIASBFKOVIQ-HZPDHXFCSA-N 1 3 348.495 0.837 20 0 ECADHO N[C@H](CN1CCC([NH3+])CC1)c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001212314728 767204537 /nfs/dbraw/zinc/20/45/37/767204537.db2.gz HXUSMKUDJILTNL-CYBMUJFWSA-N 1 3 343.435 0.200 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016932928 767341024 /nfs/dbraw/zinc/34/10/24/767341024.db2.gz HCXIOSINMMJKSX-UONOGXRCSA-N 1 3 334.464 0.317 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016935310 767348107 /nfs/dbraw/zinc/34/81/07/767348107.db2.gz LWRSMQLQMMHCKA-HUUCEWRRSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643686 767390425 /nfs/dbraw/zinc/39/04/25/767390425.db2.gz GTJDQQXFPVUHPW-BZUAXINKSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643686 767390436 /nfs/dbraw/zinc/39/04/36/767390436.db2.gz GTJDQQXFPVUHPW-BZUAXINKSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC2CCCCCC2)CC[N@@H+]1C ZINC001127644097 767393487 /nfs/dbraw/zinc/39/34/87/767393487.db2.gz UXBOSDWQBFKBIP-GDBMZVCRSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC2CCCCCC2)CC[N@H+]1C ZINC001127644097 767393497 /nfs/dbraw/zinc/39/34/97/767393497.db2.gz UXBOSDWQBFKBIP-GDBMZVCRSA-N 1 3 338.496 0.871 20 0 ECADHO C[NH+](C)CCCC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060463001 767451984 /nfs/dbraw/zinc/45/19/84/767451984.db2.gz OKAJAPALSGOJHW-AWEZNQCLSA-N 1 3 335.452 0.649 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463089 767455405 /nfs/dbraw/zinc/45/54/05/767455405.db2.gz QECTZOCVKAFHFM-CABCVRRESA-N 1 3 347.463 0.649 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463089 767455411 /nfs/dbraw/zinc/45/54/11/767455411.db2.gz QECTZOCVKAFHFM-CABCVRRESA-N 1 3 347.463 0.649 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463091 767455480 /nfs/dbraw/zinc/45/54/80/767455480.db2.gz QECTZOCVKAFHFM-HUUCEWRRSA-N 1 3 347.463 0.649 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463091 767455484 /nfs/dbraw/zinc/45/54/84/767455484.db2.gz QECTZOCVKAFHFM-HUUCEWRRSA-N 1 3 347.463 0.649 20 0 ECADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCc1cnnn1C ZINC001054969751 768485646 /nfs/dbraw/zinc/48/56/46/768485646.db2.gz 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CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000993808419 769655631 /nfs/dbraw/zinc/65/56/31/769655631.db2.gz SBTRGDBAHSFTKR-HOTGVXAUSA-N 1 3 338.496 0.774 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000993808419 769655634 /nfs/dbraw/zinc/65/56/34/769655634.db2.gz SBTRGDBAHSFTKR-HOTGVXAUSA-N 1 3 338.496 0.774 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000993811300 769662287 /nfs/dbraw/zinc/66/22/87/769662287.db2.gz ZVHHZKAJRFDEEY-CVEARBPZSA-N 1 3 336.480 0.528 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000993811300 769662298 /nfs/dbraw/zinc/66/22/98/769662298.db2.gz ZVHHZKAJRFDEEY-CVEARBPZSA-N 1 3 336.480 0.528 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000993811305 769662579 /nfs/dbraw/zinc/66/25/79/769662579.db2.gz ZVHHZKAJRFDEEY-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000993811305 769662590 /nfs/dbraw/zinc/66/25/90/769662590.db2.gz ZVHHZKAJRFDEEY-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(CN[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)N1CCCC1 ZINC001019023165 770590278 /nfs/dbraw/zinc/59/02/78/770590278.db2.gz BDHZWOUZFSGGFC-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1)N(C)C ZINC001019033647 770611690 /nfs/dbraw/zinc/61/16/90/770611690.db2.gz XOHHBQZTRKXRKM-JKSUJKDBSA-N 1 3 332.448 0.816 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1)C1CC1 ZINC001019037889 770623422 /nfs/dbraw/zinc/62/34/22/770623422.db2.gz DLSJCGITKVCVIZ-HZPDHXFCSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1)C1CC1 ZINC001019037889 770623428 /nfs/dbraw/zinc/62/34/28/770623428.db2.gz DLSJCGITKVCVIZ-HZPDHXFCSA-N 1 3 348.491 0.339 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001019043589 770647392 /nfs/dbraw/zinc/64/73/92/770647392.db2.gz ADQHVHHVWDCPKC-IRXDYDNUSA-N 1 3 344.459 0.960 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001019382986 771230209 /nfs/dbraw/zinc/23/02/09/771230209.db2.gz RMXXDPJXDDLSRD-PBHICJAKSA-N 1 3 344.459 0.818 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001019382986 771230210 /nfs/dbraw/zinc/23/02/10/771230210.db2.gz RMXXDPJXDDLSRD-PBHICJAKSA-N 1 3 344.459 0.818 20 0 ECADHO NC(=O)c1ccc(CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001127474148 771298815 /nfs/dbraw/zinc/29/88/15/771298815.db2.gz HHHYGRUIBAYCDW-INIZCTEOSA-N 1 3 330.432 0.333 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC(C1CC1)C1CC1 ZINC001127474338 771302212 /nfs/dbraw/zinc/30/22/12/771302212.db2.gz KZYPSLXPMQUUOF-MRXNPFEDSA-N 1 3 348.491 0.339 20 0 ECADHO CC(C)(C)N1CC[C@@H](NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480066 771314998 /nfs/dbraw/zinc/31/49/98/771314998.db2.gz HUBMOWMJDGMLKS-LSDHHAIUSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)CC1 ZINC001019593060 771561045 /nfs/dbraw/zinc/56/10/45/771561045.db2.gz GAQPXQNHDUBLOH-JKSUJKDBSA-N 1 3 336.480 0.576 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(CCn4cncn4)[C@H]3C2)CC1 ZINC001042212996 782947656 /nfs/dbraw/zinc/94/76/56/782947656.db2.gz CVZPJQOXARFCFQ-RDJZCZTQSA-N 1 3 346.479 0.543 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001020162303 772231676 /nfs/dbraw/zinc/23/16/76/772231676.db2.gz AJYZUACJWRNDFE-BZUAXINKSA-N 1 3 329.448 0.864 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020171172 772240342 /nfs/dbraw/zinc/24/03/42/772240342.db2.gz QQRPLSDYJAZRHS-KBUPBQIOSA-N 1 3 334.468 0.683 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020171172 772240345 /nfs/dbraw/zinc/24/03/45/772240345.db2.gz QQRPLSDYJAZRHS-KBUPBQIOSA-N 1 3 334.468 0.683 20 0 ECADHO C[C@@H](CCNC(=O)C[N@@H+]1CCC[C@H]1C)NC(=O)C1(N(C)C)CCC1 ZINC001078468026 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ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CCN(CCn2cncn2)CC1 ZINC001045554480 775787435 /nfs/dbraw/zinc/78/74/35/775787435.db2.gz PRUCMNWWEDKLLY-LSDHHAIUSA-N 1 3 334.468 0.447 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CCN(CCn2cncn2)CC1 ZINC001045554480 775787442 /nfs/dbraw/zinc/78/74/42/775787442.db2.gz PRUCMNWWEDKLLY-LSDHHAIUSA-N 1 3 334.468 0.447 20 0 ECADHO COCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001079847510 776969893 /nfs/dbraw/zinc/96/98/93/776969893.db2.gz JAOUAFSDSSKYQW-DJIMGWMZSA-N 1 3 339.480 0.713 20 0 ECADHO COCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001079847510 776969894 /nfs/dbraw/zinc/96/98/94/776969894.db2.gz JAOUAFSDSSKYQW-DJIMGWMZSA-N 1 3 339.480 0.713 20 0 ECADHO CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001079945215 777124442 /nfs/dbraw/zinc/12/44/42/777124442.db2.gz HGLGVGYZWMYPGG-QGZVFWFLSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080016736 777236586 /nfs/dbraw/zinc/23/65/86/777236586.db2.gz NKKPVWRXOTXITB-GOEBONIOSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080016736 777236595 /nfs/dbraw/zinc/23/65/95/777236595.db2.gz NKKPVWRXOTXITB-GOEBONIOSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001080018269 777240744 /nfs/dbraw/zinc/24/07/44/777240744.db2.gz OEPCEQMTNHQDDF-FVQBIDKESA-N 1 3 338.496 0.726 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001080018269 777240749 /nfs/dbraw/zinc/24/07/49/777240749.db2.gz OEPCEQMTNHQDDF-FVQBIDKESA-N 1 3 338.496 0.726 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001080141961 777455800 /nfs/dbraw/zinc/45/58/00/777455800.db2.gz YUHZVWOGCHNXBZ-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080141961 777455806 /nfs/dbraw/zinc/45/58/06/777455806.db2.gz YUHZVWOGCHNXBZ-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001080146878 777465406 /nfs/dbraw/zinc/46/54/06/777465406.db2.gz WVIOPNKXPAERII-JKSUJKDBSA-N 1 3 340.512 0.972 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001080192576 777532760 /nfs/dbraw/zinc/53/27/60/777532760.db2.gz TWIRPTWYCYOLKN-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080192576 777532761 /nfs/dbraw/zinc/53/27/61/777532761.db2.gz TWIRPTWYCYOLKN-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080193831 777535597 /nfs/dbraw/zinc/53/55/97/777535597.db2.gz IBJHLCBEPFCERK-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080193831 777535601 /nfs/dbraw/zinc/53/56/01/777535601.db2.gz IBJHLCBEPFCERK-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001080379153 777769739 /nfs/dbraw/zinc/76/97/39/777769739.db2.gz MYNNMFBKEKVWGV-OAHLLOKOSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383454 777776616 /nfs/dbraw/zinc/77/66/16/777776616.db2.gz FMCIXRLBCSIIFV-FVQBIDKESA-N 1 3 346.479 0.544 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001080533917 777976554 /nfs/dbraw/zinc/97/65/54/777976554.db2.gz YQYVLBQRJCQTRZ-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001080533917 777976559 /nfs/dbraw/zinc/97/65/59/777976559.db2.gz YQYVLBQRJCQTRZ-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCN(C(=O)CN1CC[C@H](C)C1)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001080559468 778034215 /nfs/dbraw/zinc/03/42/15/778034215.db2.gz GGTMYXBOFIBJEF-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)CN1CC[C@H](C)C1)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001080559468 778034223 /nfs/dbraw/zinc/03/42/23/778034223.db2.gz GGTMYXBOFIBJEF-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078499392 780024684 /nfs/dbraw/zinc/02/46/84/780024684.db2.gz XBVHAXLRCVPRFT-RDJZCZTQSA-N 1 3 349.479 0.469 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078499392 780024692 /nfs/dbraw/zinc/02/46/92/780024692.db2.gz XBVHAXLRCVPRFT-RDJZCZTQSA-N 1 3 349.479 0.469 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCCO2)cn1 ZINC001078508142 780047431 /nfs/dbraw/zinc/04/74/31/780047431.db2.gz LBTOEOWVQOHQKO-HOTGVXAUSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCCO2)cn1 ZINC001078508142 780047436 /nfs/dbraw/zinc/04/74/36/780047436.db2.gz LBTOEOWVQOHQKO-HOTGVXAUSA-N 1 3 335.452 0.079 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078794636 780499905 /nfs/dbraw/zinc/49/99/05/780499905.db2.gz JQKFFYWVCWMAHQ-GJZGRUSLSA-N 1 3 343.435 0.569 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(CC3CCC3)C[C@H]2O)cn1 ZINC001077818023 781753170 /nfs/dbraw/zinc/75/31/70/781753170.db2.gz FIQMGDIMTXECAE-HZPDHXFCSA-N 1 3 335.452 0.020 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070208934 783661389 /nfs/dbraw/zinc/66/13/89/783661389.db2.gz FJTOJYSCOYZDTQ-OWCLPIDISA-N 1 3 332.452 0.370 20 0 ECADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070275249 783780648 /nfs/dbraw/zinc/78/06/48/783780648.db2.gz CIXNYKFUWPGQGQ-OAGGEKHMSA-N 1 3 334.468 0.760 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001071053742 784488899 /nfs/dbraw/zinc/48/88/99/784488899.db2.gz IMYRREXVAIJTES-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001071053742 784488904 /nfs/dbraw/zinc/48/89/04/784488904.db2.gz IMYRREXVAIJTES-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001071053741 784489179 /nfs/dbraw/zinc/48/91/79/784489179.db2.gz IMYRREXVAIJTES-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001071053741 784489181 /nfs/dbraw/zinc/48/91/81/784489181.db2.gz IMYRREXVAIJTES-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001071200808 784723669 /nfs/dbraw/zinc/72/36/69/784723669.db2.gz IAIJFAXWOWOSPA-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001070865418 784768541 /nfs/dbraw/zinc/76/85/41/784768541.db2.gz VEUVDBWEAFLLQU-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070865418 784768544 /nfs/dbraw/zinc/76/85/44/784768544.db2.gz VEUVDBWEAFLLQU-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CN1CCCO ZINC001071890997 785278288 /nfs/dbraw/zinc/27/82/88/785278288.db2.gz VLRJOQRCODUWDZ-HOCLYGCPSA-N 1 3 337.468 0.410 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001072477841 786241768 /nfs/dbraw/zinc/24/17/68/786241768.db2.gz CCTGXFLCGCBJLS-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001074198653 786429608 /nfs/dbraw/zinc/42/96/08/786429608.db2.gz RNXQEJZNCXPEKR-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073632107 786822386 /nfs/dbraw/zinc/82/23/86/786822386.db2.gz XYEFFXIRCVIRBY-IRXDYDNUSA-N 1 3 341.496 0.818 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001073632107 786822398 /nfs/dbraw/zinc/82/23/98/786822398.db2.gz XYEFFXIRCVIRBY-IRXDYDNUSA-N 1 3 341.496 0.818 20 0 ECADHO COC[C@@H](C)N1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677673 786948301 /nfs/dbraw/zinc/94/83/01/786948301.db2.gz OMCQTLKYYXAWHU-HZPDHXFCSA-N 1 3 339.480 0.857 20 0 ECADHO CO[C@@H](C)CN1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073756216 787136864 /nfs/dbraw/zinc/13/68/64/787136864.db2.gz WOFBPRBUQAJRDU-HOCLYGCPSA-N 1 3 327.469 0.570 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001073801534 787228921 /nfs/dbraw/zinc/22/89/21/787228921.db2.gz NKNYHCOGZNLNML-IAGOWNOFSA-N 1 3 341.496 0.839 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073801534 787228926 /nfs/dbraw/zinc/22/89/26/787228926.db2.gz NKNYHCOGZNLNML-IAGOWNOFSA-N 1 3 341.496 0.839 20 0 ECADHO C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001073898959 787473067 /nfs/dbraw/zinc/47/30/67/787473067.db2.gz HOIOKLCJHXPIFJ-NVXWUHKLSA-N 1 3 349.475 0.950 20 0 ECADHO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001073898959 787473069 /nfs/dbraw/zinc/47/30/69/787473069.db2.gz HOIOKLCJHXPIFJ-NVXWUHKLSA-N 1 3 349.475 0.950 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)CCN1C(=O)[C@H]1CCCN1C ZINC001074803898 788358352 /nfs/dbraw/zinc/35/83/52/788358352.db2.gz UHRQNKOFKZRAGD-ZQDZILKHSA-N 1 3 332.452 0.439 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001072621637 788450651 /nfs/dbraw/zinc/45/06/51/788450651.db2.gz DGZXDSABDBZFBK-GJZGRUSLSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCc3ccnn3C)[C@@H]2C)C1 ZINC001074878395 788477462 /nfs/dbraw/zinc/47/74/62/788477462.db2.gz RRFTWOQJAADTGR-VYDXJSESSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@H](N[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C)C(N)=O ZINC001074884911 788485515 /nfs/dbraw/zinc/48/55/15/788485515.db2.gz NXSVXAHXVXDVEE-ZQIUZPCESA-N 1 3 346.475 0.857 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@@H]1C)N(C)C ZINC001074885755 788488353 /nfs/dbraw/zinc/48/83/53/788488353.db2.gz VTMRZCKZUGHTAV-AJNGGQMLSA-N 1 3 345.509 0.340 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001072667576 788548684 /nfs/dbraw/zinc/54/86/84/788548684.db2.gz BDBAXCGLEZJKFG-ZBFHGGJFSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001072679093 788577515 /nfs/dbraw/zinc/57/75/15/788577515.db2.gz DDIMNOUMQSJPOA-ZIAGYGMSSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001075136652 788963724 /nfs/dbraw/zinc/96/37/24/788963724.db2.gz FSSVWEAPKLXGHC-KGLIPLIRSA-N 1 3 335.452 0.790 20 0 ECADHO O=C(CN1CCCC1)N1CCC([C@@H]2OCCC[C@@H]2[NH2+]CCO)CC1 ZINC001075417500 789346098 /nfs/dbraw/zinc/34/60/98/789346098.db2.gz JNYRVEPZWFFARY-WMZOPIPTSA-N 1 3 339.480 0.450 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)C45CC[NH+](CC4)C5)C3)C2)C1=O ZINC001073130414 789495536 /nfs/dbraw/zinc/49/55/36/789495536.db2.gz UIZUMHHJCLTXJV-HNNXBMFYSA-N 1 3 346.475 0.237 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001067010364 792570323 /nfs/dbraw/zinc/57/03/23/792570323.db2.gz JYDQTENKCKNDMQ-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001067010364 792570330 /nfs/dbraw/zinc/57/03/30/792570330.db2.gz JYDQTENKCKNDMQ-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC2CCCCC2)C1 ZINC001267428821 837400468 /nfs/dbraw/zinc/40/04/68/837400468.db2.gz CYHRWMNDZZDCAK-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC2CCCCC2)C1 ZINC001267428821 837400471 /nfs/dbraw/zinc/40/04/71/837400471.db2.gz CYHRWMNDZZDCAK-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)C(=O)CNCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001267430397 837410258 /nfs/dbraw/zinc/41/02/58/837410258.db2.gz WZZRIPGCCYAXGB-SJORKVTESA-N 1 3 346.475 0.468 20 0 ECADHO CN(C)C(=O)CNCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001267430397 837410265 /nfs/dbraw/zinc/41/02/65/837410265.db2.gz WZZRIPGCCYAXGB-SJORKVTESA-N 1 3 346.475 0.468 20 0 ECADHO CN(CCNCC(=O)N(C)Cc1ccco1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469300 837482869 /nfs/dbraw/zinc/48/28/69/837482869.db2.gz ILWAIWAZHNDIBF-AWEZNQCLSA-N 1 3 336.436 0.238 20 0 ECADHO CN(CCNCC(=O)N(C)Cc1ccco1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267469300 837482872 /nfs/dbraw/zinc/48/28/72/837482872.db2.gz ILWAIWAZHNDIBF-AWEZNQCLSA-N 1 3 336.436 0.238 20 0 ECADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266879975 836428026 /nfs/dbraw/zinc/42/80/26/836428026.db2.gz DWJNGCVLNVEBDV-UONOGXRCSA-N 1 3 338.452 0.104 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCOCCO ZINC001266883578 836431185 /nfs/dbraw/zinc/43/11/85/836431185.db2.gz CJNXEDIXLAOYGO-DLBZAZTESA-N 1 3 341.496 0.840 20 0 ECADHO CC(C)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267002552 836596992 /nfs/dbraw/zinc/59/69/92/836596992.db2.gz OEDKCLFUOIHQLC-CQSZACIVSA-N 1 3 335.452 0.553 20 0 ECADHO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267002443 836597538 /nfs/dbraw/zinc/59/75/38/836597538.db2.gz LUVBERMTXRBULE-HUUCEWRRSA-N 1 3 326.485 0.537 20 0 ECADHO O=C(CN[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1)N1CCC1 ZINC001267026961 836647009 /nfs/dbraw/zinc/64/70/09/836647009.db2.gz QLFDZDYCQQIFCB-INIZCTEOSA-N 1 3 336.480 0.675 20 0 ECADHO CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001267162664 836880570 /nfs/dbraw/zinc/88/05/70/836880570.db2.gz GYMRZGSLKBCIEB-JKSUJKDBSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001267162664 836880575 /nfs/dbraw/zinc/88/05/75/836880575.db2.gz GYMRZGSLKBCIEB-JKSUJKDBSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CN2CC[C@@H](C)C2)CC[N@@H+]1C ZINC001408582711 836951665 /nfs/dbraw/zinc/95/16/65/836951665.db2.gz CNVMBRSNEXMKJB-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CN2CC[C@@H](C)C2)CC[N@H+]1C ZINC001408582711 836951673 /nfs/dbraw/zinc/95/16/73/836951673.db2.gz CNVMBRSNEXMKJB-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001408593219 837086041 /nfs/dbraw/zinc/08/60/41/837086041.db2.gz BBCIRWBYIPZMEX-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267293279 837146726 /nfs/dbraw/zinc/14/67/26/837146726.db2.gz PJQSMEVZPUVBKR-CVEARBPZSA-N 1 3 327.469 0.306 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267293279 837146729 /nfs/dbraw/zinc/14/67/29/837146729.db2.gz PJQSMEVZPUVBKR-CVEARBPZSA-N 1 3 327.469 0.306 20 0 ECADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001408600552 837289126 /nfs/dbraw/zinc/28/91/26/837289126.db2.gz HTPGBMYLBNPUES-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001408600552 837289136 /nfs/dbraw/zinc/28/91/36/837289136.db2.gz HTPGBMYLBNPUES-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CCCCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267607210 837949966 /nfs/dbraw/zinc/94/99/66/837949966.db2.gz QRAKLCMNQQLGMN-HRCADAONSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)Cc1ccccc1 ZINC000418848970 282169296 /nfs/dbraw/zinc/16/92/96/282169296.db2.gz MCIXPWAXCFPBEP-MRXNPFEDSA-N 1 3 332.448 0.225 20 0 ECADHO CN(C)[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000354689283 299096636 /nfs/dbraw/zinc/09/66/36/299096636.db2.gz KETRQUXUIMJYOJ-HZPDHXFCSA-N 1 3 332.448 0.664 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CC[NH+](C)CC1 ZINC000102051263 219183001 /nfs/dbraw/zinc/18/30/01/219183001.db2.gz KZYVSNJPIHPERU-OAHLLOKOSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354798919 299130953 /nfs/dbraw/zinc/13/09/53/299130953.db2.gz VGQPVCMCZMLYFU-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000354965000 299173929 /nfs/dbraw/zinc/17/39/29/299173929.db2.gz RRBCNBRMNGFVOX-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000355014899 299184899 /nfs/dbraw/zinc/18/48/99/299184899.db2.gz HHRFGMRCSCXGSU-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000355014899 299184903 /nfs/dbraw/zinc/18/49/03/299184903.db2.gz HHRFGMRCSCXGSU-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000355231643 299222393 /nfs/dbraw/zinc/22/23/93/299222393.db2.gz ZJHKMYGSYYSSCU-JLCFBVMHSA-N 1 3 332.514 0.422 20 0 ECADHO CC[N@H+](C)CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000338528637 297275847 /nfs/dbraw/zinc/27/58/47/297275847.db2.gz BGDYNRLVJDVDKO-CQSZACIVSA-N 1 3 327.473 0.180 20 0 ECADHO CC[N@@H+](C)CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000338528637 297275849 /nfs/dbraw/zinc/27/58/49/297275849.db2.gz BGDYNRLVJDVDKO-CQSZACIVSA-N 1 3 327.473 0.180 20 0 ECADHO COC[C@@H](CCC[NH3+])NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422750892 209660573 /nfs/dbraw/zinc/66/05/73/209660573.db2.gz AOXXAPKUZYWYRR-CYBMUJFWSA-N 1 3 349.884 0.962 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C2)C1 ZINC000410491499 283166100 /nfs/dbraw/zinc/16/61/00/283166100.db2.gz GYMQIEYKCUBXFZ-LPHOPBHVSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C2)C1 ZINC000410491499 283166105 /nfs/dbraw/zinc/16/61/05/283166105.db2.gz GYMQIEYKCUBXFZ-LPHOPBHVSA-N 1 3 348.491 0.627 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000420420907 209363950 /nfs/dbraw/zinc/36/39/50/209363950.db2.gz KLDHACUIXGRFTF-LBPRGKRZSA-N 1 3 345.513 0.857 20 0 ECADHO c1nc(N2CCOCC2)cc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000420353302 209357126 /nfs/dbraw/zinc/35/71/26/209357126.db2.gz BNZRQPJYKXTMNO-MRXNPFEDSA-N 1 3 346.479 0.435 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000420117875 209311899 /nfs/dbraw/zinc/31/18/99/209311899.db2.gz HYHRDFQEUGBKEV-CQSZACIVSA-N 1 3 326.485 0.953 20 0 ECADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420033616 209284219 /nfs/dbraw/zinc/28/42/19/209284219.db2.gz WCVZFJLSJDDSNU-OAHLLOKOSA-N 1 3 334.464 0.820 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](CN)CC(C)C ZINC000419955176 209260227 /nfs/dbraw/zinc/26/02/27/209260227.db2.gz NEKSPVDNRGXTNK-HNNXBMFYSA-N 1 3 326.485 0.810 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419922201 209250245 /nfs/dbraw/zinc/25/02/45/209250245.db2.gz ZCSJOEKDXLMMHO-CQSZACIVSA-N 1 3 336.436 0.286 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419909863 209246999 /nfs/dbraw/zinc/24/69/99/209246999.db2.gz ZLPKHQLCYBRIGH-LSDHHAIUSA-N 1 3 326.485 0.537 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000419875101 209234763 /nfs/dbraw/zinc/23/47/63/209234763.db2.gz OESRORPMYJEOHK-UHFFFAOYSA-N 1 3 338.427 0.442 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000419867349 209231321 /nfs/dbraw/zinc/23/13/21/209231321.db2.gz HFXNOOZWKFYBOW-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@@H]1C[NH3+] ZINC000419776407 209202457 /nfs/dbraw/zinc/20/24/57/209202457.db2.gz LYKQXXNRGNWMOV-RBSFLKMASA-N 1 3 338.496 0.809 20 0 ECADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)NCCC[NH3+])C1CC1 ZINC000419772285 209201425 /nfs/dbraw/zinc/20/14/25/209201425.db2.gz YVNNHTHUTOULKN-MRXNPFEDSA-N 1 3 332.448 0.478 20 0 ECADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000236840524 242377829 /nfs/dbraw/zinc/37/78/29/242377829.db2.gz KLGJBJZIGPCERT-QGZVFWFLSA-N 1 3 346.475 0.569 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419722215 209187591 /nfs/dbraw/zinc/18/75/91/209187591.db2.gz LSHQRNVTWPWOME-OAHLLOKOSA-N 1 3 346.475 0.881 20 0 ECADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419718783 209187326 /nfs/dbraw/zinc/18/73/26/209187326.db2.gz FCRMIHQRUZKQFJ-QGZVFWFLSA-N 1 3 344.459 0.717 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CCC(C)CC1 ZINC000356468826 299392826 /nfs/dbraw/zinc/39/28/26/299392826.db2.gz ZJTRRCBYELXMPL-LSDHHAIUSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CCC(C)CC1 ZINC000356468826 299392829 /nfs/dbraw/zinc/39/28/29/299392829.db2.gz ZJTRRCBYELXMPL-LSDHHAIUSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419703880 209179121 /nfs/dbraw/zinc/17/91/21/209179121.db2.gz XCUSSFSHQJYCHP-QAPCUYQASA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419690314 209172595 /nfs/dbraw/zinc/17/25/95/209172595.db2.gz CXNKQHWSMLMRHX-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419655481 209160539 /nfs/dbraw/zinc/16/05/39/209160539.db2.gz HIXGHTLBCHWYPT-ZDUSSCGKSA-N 1 3 336.436 0.097 20 0 ECADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)NC[C@@H](C)C[NH3+])c1ccccc1 ZINC000419642338 209154487 /nfs/dbraw/zinc/15/44/87/209154487.db2.gz FUZJENQHSYTSHC-UONOGXRCSA-N 1 3 334.464 0.943 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCSC1 ZINC000419592866 209134822 /nfs/dbraw/zinc/13/48/22/209134822.db2.gz XKBDZCHLNRTRPY-HZPDHXFCSA-N 1 3 342.509 0.046 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419582684 209132446 /nfs/dbraw/zinc/13/24/46/209132446.db2.gz JKVVVDJRMOAUNL-GJZGRUSLSA-N 1 3 326.485 0.809 20 0 ECADHO CCN(CCNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)C1CC1 ZINC000419522395 209115481 /nfs/dbraw/zinc/11/54/81/209115481.db2.gz MAUITVFVLGEQJJ-CYBMUJFWSA-N 1 3 332.448 0.923 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419511140 209111403 /nfs/dbraw/zinc/11/14/03/209111403.db2.gz XARLGWOCLLKOAC-DLBZAZTESA-N 1 3 344.459 0.574 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419511140 209111405 /nfs/dbraw/zinc/11/14/05/209111405.db2.gz XARLGWOCLLKOAC-DLBZAZTESA-N 1 3 344.459 0.574 20 0 ECADHO CC(=O)[C@@](C)(O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000450420495 211323968 /nfs/dbraw/zinc/32/39/68/211323968.db2.gz KCDNAJIBOMKQSN-SFHVURJKSA-N 1 3 341.496 0.742 20 0 ECADHO CS[C@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1N(C)C ZINC000411418191 208099527 /nfs/dbraw/zinc/09/95/27/208099527.db2.gz HEGVONHJBJWPHC-CVEARBPZSA-N 1 3 342.553 0.953 20 0 ECADHO COCC[NH2+]CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000246220188 285075319 /nfs/dbraw/zinc/07/53/19/285075319.db2.gz GQCHZGDXKFUFRR-GOSISDBHSA-N 1 3 348.491 0.717 20 0 ECADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H](CO)[C@@H]1CCCOC1)c1ccccc1 ZINC000411985796 208183765 /nfs/dbraw/zinc/18/37/65/208183765.db2.gz JHRPPLDZEBZYLK-KZNAEPCWSA-N 1 3 349.475 0.783 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]1CN ZINC000423743164 296364953 /nfs/dbraw/zinc/36/49/53/296364953.db2.gz VKBFAJYAUVIXKJ-BZUAXINKSA-N 1 3 336.480 0.517 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418381619 208802783 /nfs/dbraw/zinc/80/27/83/208802783.db2.gz MEUIITBNFDBOHP-BRWVUGGUSA-N 1 3 332.448 0.531 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1NC(=O)O[C@@H]1C ZINC000496194384 255079866 /nfs/dbraw/zinc/07/98/66/255079866.db2.gz OQITVEJUFZVNJM-MGPQQGTHSA-N 1 3 326.441 0.358 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1NC(=O)O[C@@H]1C ZINC000496194384 255079868 /nfs/dbraw/zinc/07/98/68/255079868.db2.gz OQITVEJUFZVNJM-MGPQQGTHSA-N 1 3 326.441 0.358 20 0 ECADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419433980 209093477 /nfs/dbraw/zinc/09/34/77/209093477.db2.gz ZWYDELVARXGFHN-QGZVFWFLSA-N 1 3 344.459 0.419 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000419167309 209009803 /nfs/dbraw/zinc/00/98/03/209009803.db2.gz IJYVGUJASCXAGU-LSDHHAIUSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419174355 209011911 /nfs/dbraw/zinc/01/19/11/209011911.db2.gz VIYRRONVILRKOB-OWCLPIDISA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000419203068 209022592 /nfs/dbraw/zinc/02/25/92/209022592.db2.gz HKKAWRGONTVWNZ-CABCVRRESA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000419203068 209022595 /nfs/dbraw/zinc/02/25/95/209022595.db2.gz HKKAWRGONTVWNZ-CABCVRRESA-N 1 3 346.475 0.998 20 0 ECADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419225454 209031947 /nfs/dbraw/zinc/03/19/47/209031947.db2.gz HBINCOHJPHDRLW-HZPDHXFCSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CCCC4)C3)C[C@@H]12 ZINC000419225776 209032627 /nfs/dbraw/zinc/03/26/27/209032627.db2.gz HVJUICURZRPQBS-QBPKDAKJSA-N 1 3 348.491 0.563 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419225279 209032775 /nfs/dbraw/zinc/03/27/75/209032775.db2.gz GYMNDCVQVQUWLD-KBMXLJTQSA-N 1 3 336.480 0.563 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419229352 209033533 /nfs/dbraw/zinc/03/35/33/209033533.db2.gz OQTRSBRUOOBJEU-OWCLPIDISA-N 1 3 334.464 0.045 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419228060 209034137 /nfs/dbraw/zinc/03/41/37/209034137.db2.gz LWDYCQMCLJTSMV-IXDOHACOSA-N 1 3 348.491 0.435 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000420803707 285320114 /nfs/dbraw/zinc/32/01/14/285320114.db2.gz MNPIXRBNYSUMNI-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000420803707 285320116 /nfs/dbraw/zinc/32/01/16/285320116.db2.gz MNPIXRBNYSUMNI-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)CC(C)C)[C@H](C)C1 ZINC000419965660 285383596 /nfs/dbraw/zinc/38/35/96/285383596.db2.gz XGQNJEPGOKEMTJ-ILXRZTDVSA-N 1 3 326.485 0.665 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)CC(C)C)[C@H](C)C1 ZINC000419965660 285383597 /nfs/dbraw/zinc/38/35/97/285383597.db2.gz XGQNJEPGOKEMTJ-ILXRZTDVSA-N 1 3 326.485 0.665 20 0 ECADHO C[C@@H](NC[C@H](C)O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000131227133 533428536 /nfs/dbraw/zinc/42/85/36/533428536.db2.gz NCOXURILTBHVFR-UONOGXRCSA-N 1 3 343.493 0.948 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324786 292372677 /nfs/dbraw/zinc/37/26/77/292372677.db2.gz HPORXZOTWMRHPZ-HUUCEWRRSA-N 1 3 333.498 0.264 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261977464 165270861 /nfs/dbraw/zinc/27/08/61/165270861.db2.gz LWFXBUPIWPJTEV-OLZOCXBDSA-N 1 3 336.402 0.813 20 0 ECADHO C[NH2+]CC1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000261986881 165273046 /nfs/dbraw/zinc/27/30/46/165273046.db2.gz SGNAGZNQGMARST-UHFFFAOYSA-N 1 3 327.450 0.644 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)N1CCC(C)CC1 ZINC000262094721 165289240 /nfs/dbraw/zinc/28/92/40/165289240.db2.gz DIXFBBBAQLEOKN-UAGQMJEPSA-N 1 3 333.480 0.960 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262355075 165335387 /nfs/dbraw/zinc/33/53/87/165335387.db2.gz JEBRTIOHZXQJQR-LBPRGKRZSA-N 1 3 325.482 0.400 20 0 ECADHO [NH3+]CCCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262674827 165374056 /nfs/dbraw/zinc/37/40/56/165374056.db2.gz RDEMSIYQLDOARX-UHFFFAOYSA-N 1 3 332.448 0.867 20 0 ECADHO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419404367 209083490 /nfs/dbraw/zinc/08/34/90/209083490.db2.gz GBVYYIKFKNFMLB-ZIAGYGMSSA-N 1 3 340.468 0.064 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419409992 209085834 /nfs/dbraw/zinc/08/58/34/209085834.db2.gz ABJXTFLKUZENDO-OAHLLOKOSA-N 1 3 346.475 0.665 20 0 ECADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419411253 209086122 /nfs/dbraw/zinc/08/61/22/209086122.db2.gz BJRBVNMAFHVJSV-KRWDZBQOSA-N 1 3 344.459 0.419 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000173959951 263149378 /nfs/dbraw/zinc/14/93/78/263149378.db2.gz YWBVVFVVZCDABB-HZPDHXFCSA-N 1 3 337.512 0.653 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000173959951 263149379 /nfs/dbraw/zinc/14/93/79/263149379.db2.gz YWBVVFVVZCDABB-HZPDHXFCSA-N 1 3 337.512 0.653 20 0 ECADHO CCN(CCO)CCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000187123738 263159910 /nfs/dbraw/zinc/15/99/10/263159910.db2.gz LINIICASMPRNBX-HOTGVXAUSA-N 1 3 328.501 0.968 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283804187 264154580 /nfs/dbraw/zinc/15/45/80/264154580.db2.gz WNPKIXSGDGDZMY-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000283859134 264160369 /nfs/dbraw/zinc/16/03/69/264160369.db2.gz HWBPFBUMSPSRCY-KRWDZBQOSA-N 1 3 346.475 0.960 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415770895 273797222 /nfs/dbraw/zinc/79/72/22/273797222.db2.gz ZEGGGVCKYFZIDB-HZPDHXFCSA-N 1 3 344.459 0.797 20 0 ECADHO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418754567 276198358 /nfs/dbraw/zinc/19/83/58/276198358.db2.gz WTWOJMUEQSYKTD-QWHCGFSZSA-N 1 3 334.411 0.376 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000459896580 277379514 /nfs/dbraw/zinc/37/95/14/277379514.db2.gz FUQQWIQAJLUCRE-OAHLLOKOSA-N 1 3 326.485 0.585 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419097381 277481054 /nfs/dbraw/zinc/48/10/54/277481054.db2.gz DZVQAJHKLXBJPR-HUUCEWRRSA-N 1 3 326.485 0.857 20 0 ECADHO C[C@@H](C(=O)NCc1cccc(C(=O)NCCN(C)C)c1)C1C[NH2+]C1 ZINC000262335304 277552850 /nfs/dbraw/zinc/55/28/50/277552850.db2.gz HFQOVRARAZEDCF-CYBMUJFWSA-N 1 3 332.448 0.450 20 0 ECADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419099658 278240838 /nfs/dbraw/zinc/24/08/38/278240838.db2.gz AKDQVJJZGGGTQI-GOEBONIOSA-N 1 3 332.448 0.573 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420056494 279429099 /nfs/dbraw/zinc/42/90/99/279429099.db2.gz IOCCVKUUBCJKSV-QWHCGFSZSA-N 1 3 328.457 0.014 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1CN ZINC000419722209 279659577 /nfs/dbraw/zinc/65/95/77/279659577.db2.gz LRPSNULTZQISCU-GXTWGEPZSA-N 1 3 338.496 0.998 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423150915 280276144 /nfs/dbraw/zinc/27/61/44/280276144.db2.gz JFGVEBVGPDOHFB-HZPDHXFCSA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@]1(C(=O)NCCCN2CCC(C(=O)OC)CC2)CCC[NH2+]1 ZINC000423751359 281301569 /nfs/dbraw/zinc/30/15/69/281301569.db2.gz AZLKDYSCJPTDSP-QGZVFWFLSA-N 1 3 325.453 0.910 20 0 ECADHO C[C@@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343579067 437607890 /nfs/dbraw/zinc/60/78/90/437607890.db2.gz GWJRTSYYIVCSCD-YRXWBPOGSA-N 1 3 336.524 0.807 20 0 ECADHO C[C@@H]1C[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000343579067 437607895 /nfs/dbraw/zinc/60/78/95/437607895.db2.gz GWJRTSYYIVCSCD-YRXWBPOGSA-N 1 3 336.524 0.807 20 0 ECADHO C[C@@H]1C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000343579067 437607899 /nfs/dbraw/zinc/60/78/99/437607899.db2.gz GWJRTSYYIVCSCD-YRXWBPOGSA-N 1 3 336.524 0.807 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000422384432 282063916 /nfs/dbraw/zinc/06/39/16/282063916.db2.gz WZXLFJFOWILKNJ-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417430816 289018802 /nfs/dbraw/zinc/01/88/02/289018802.db2.gz QCMNSLXSBPYVNW-CQSZACIVSA-N 1 3 341.500 0.555 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CCSC1 ZINC000423336818 289342338 /nfs/dbraw/zinc/34/23/38/289342338.db2.gz JUFCQLSHXMDEPZ-GOEBONIOSA-N 1 3 337.493 0.975 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCSC1 ZINC000419585433 289398924 /nfs/dbraw/zinc/39/89/24/289398924.db2.gz NHGAHTGQNAOPJU-IOASZLSFSA-N 1 3 342.509 0.174 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419126640 289574430 /nfs/dbraw/zinc/57/44/30/289574430.db2.gz XPKUSOSGFMZUFD-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1 ZINC000332619256 297059257 /nfs/dbraw/zinc/05/92/57/297059257.db2.gz NKEIJLASKQXHAH-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cc(S(=O)(=O)NCCN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000420338941 294271248 /nfs/dbraw/zinc/27/12/48/294271248.db2.gz YINMGXPEPITMIE-ZIAGYGMSSA-N 1 3 341.481 0.020 20 0 ECADHO CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CCCOC ZINC000354460548 437622008 /nfs/dbraw/zinc/62/20/08/437622008.db2.gz PEGMKZPNOPLURM-OAHLLOKOSA-N 1 3 335.514 0.701 20 0 ECADHO C[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)C1=CCN(C)CC1 ZINC000343675950 437622652 /nfs/dbraw/zinc/62/26/52/437622652.db2.gz NSTRTOFWWYRYMO-AWEZNQCLSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)C1=CCN(C)CC1 ZINC000343675950 437622656 /nfs/dbraw/zinc/62/26/56/437622656.db2.gz NSTRTOFWWYRYMO-AWEZNQCLSA-N 1 3 336.480 0.744 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCCCC1 ZINC000419800686 295205562 /nfs/dbraw/zinc/20/55/62/295205562.db2.gz IQVRTHRTWFMINQ-HNNXBMFYSA-N 1 3 336.480 0.851 20 0 ECADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000420210014 295258211 /nfs/dbraw/zinc/25/82/11/295258211.db2.gz RZTKLOAMCWSTTI-BZUAXINKSA-N 1 3 336.480 0.707 20 0 ECADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261941093 295332252 /nfs/dbraw/zinc/33/22/52/295332252.db2.gz XNTFHNKVNUAWHG-KGLIPLIRSA-N 1 3 344.381 0.509 20 0 ECADHO C[C@@H]1CN(C(=O)Nc2cnc(N3CCNCC3)nc2)C[C@H]1[NH+](C)C ZINC000333324905 297124471 /nfs/dbraw/zinc/12/44/71/297124471.db2.gz NLQILPBWEJLUGP-TZMCWYRMSA-N 1 3 333.440 0.300 20 0 ECADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000333551376 297141073 /nfs/dbraw/zinc/14/10/73/297141073.db2.gz JNOFUIHBAGIIQR-SQWLQELKSA-N 1 3 332.452 0.759 20 0 ECADHO CC1CCN(CCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000333553417 297141221 /nfs/dbraw/zinc/14/12/21/297141221.db2.gz JUVJPUMVJKEGNC-JKSUJKDBSA-N 1 3 334.468 0.588 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333886148 297154017 /nfs/dbraw/zinc/15/40/17/297154017.db2.gz XGPHGIHAKSDGSE-HUUCEWRRSA-N 1 3 325.501 0.700 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cnn(C)c1 ZINC000337483246 297191448 /nfs/dbraw/zinc/19/14/48/297191448.db2.gz XUGPBQXBJDFAEM-HNNXBMFYSA-N 1 3 337.468 0.673 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cnn(C)c1 ZINC000337483246 297191451 /nfs/dbraw/zinc/19/14/51/297191451.db2.gz XUGPBQXBJDFAEM-HNNXBMFYSA-N 1 3 337.468 0.673 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000338315624 297255841 /nfs/dbraw/zinc/25/58/41/297255841.db2.gz KGEHSHCGZYBSPG-HOTGVXAUSA-N 1 3 347.525 0.701 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000338528891 297275892 /nfs/dbraw/zinc/27/58/92/297275892.db2.gz BPEMEPBLRPRUHI-GJZGRUSLSA-N 1 3 341.500 0.569 20 0 ECADHO CC[NH+](CC)CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000338532757 297276215 /nfs/dbraw/zinc/27/62/15/297276215.db2.gz VHIPASISUSYIPR-HNNXBMFYSA-N 1 3 341.500 0.570 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000339489071 297354025 /nfs/dbraw/zinc/35/40/25/297354025.db2.gz RUJFNTHLPRTEGI-CQSZACIVSA-N 1 3 338.496 0.964 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000339576616 297361222 /nfs/dbraw/zinc/36/12/22/297361222.db2.gz RIYOIOAYQZTUNY-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339579231 297361427 /nfs/dbraw/zinc/36/14/27/297361427.db2.gz NIBAFGGFXYIVAT-OWCLPIDISA-N 1 3 340.512 0.927 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339579231 297361428 /nfs/dbraw/zinc/36/14/28/297361428.db2.gz NIBAFGGFXYIVAT-OWCLPIDISA-N 1 3 340.512 0.927 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000339639839 297368024 /nfs/dbraw/zinc/36/80/24/297368024.db2.gz UTCITUUERHSGMZ-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CCC[N@H+](C)CC1)N1CCN(C)CC1 ZINC000339644565 297368361 /nfs/dbraw/zinc/36/83/61/297368361.db2.gz YUMIMIHAYSHRBV-INIZCTEOSA-N 1 3 325.501 0.606 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)N1CCN(C)CC1 ZINC000339644565 297368364 /nfs/dbraw/zinc/36/83/64/297368364.db2.gz YUMIMIHAYSHRBV-INIZCTEOSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000339746071 297377086 /nfs/dbraw/zinc/37/70/86/297377086.db2.gz VMAQNRWOFCTIBQ-AWEZNQCLSA-N 1 3 334.464 0.821 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000339753523 297379043 /nfs/dbraw/zinc/37/90/43/297379043.db2.gz LEEYWSZIWMOHJC-HNNXBMFYSA-N 1 3 336.480 0.745 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339949669 297410920 /nfs/dbraw/zinc/41/09/20/297410920.db2.gz JSINQYNCXFANOH-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)CCn1c2cc(NC(=O)CCOC3C[NH2+]C3)ccc2oc1=O ZINC000349031255 298645736 /nfs/dbraw/zinc/64/57/36/298645736.db2.gz URJUSXFCJSMLBX-UHFFFAOYSA-N 1 3 348.403 0.473 20 0 ECADHO CN(C)C1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000351543052 298782351 /nfs/dbraw/zinc/78/23/51/298782351.db2.gz RTPHSDXUZQQQMT-INIZCTEOSA-N 1 3 344.459 0.070 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC000351762824 298832790 /nfs/dbraw/zinc/83/27/90/298832790.db2.gz NRXHQUSZTSSBCV-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000353447029 299049628 /nfs/dbraw/zinc/04/96/28/299049628.db2.gz KUSRYUHKZQUSQG-UPJWGTAASA-N 1 3 336.402 0.893 20 0 ECADHO CC[N@H+](CCNC(=O)N(C)CCCN1CCN(C)CC1)C(C)C ZINC000353453445 299050091 /nfs/dbraw/zinc/05/00/91/299050091.db2.gz YRKOYYNCABDRRJ-UHFFFAOYSA-N 1 3 327.517 0.996 20 0 ECADHO CC[N@@H+](CCNC(=O)N(C)CCCN1CCN(C)CC1)C(C)C ZINC000353453445 299050093 /nfs/dbraw/zinc/05/00/93/299050093.db2.gz YRKOYYNCABDRRJ-UHFFFAOYSA-N 1 3 327.517 0.996 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1=O ZINC000360829853 300029502 /nfs/dbraw/zinc/02/95/02/300029502.db2.gz BUCUCDDXLVEKSC-FRQCXROJSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000361323740 300082846 /nfs/dbraw/zinc/08/28/46/300082846.db2.gz ITKQOTAUGPJIEV-IAGOWNOFSA-N 1 3 339.480 0.450 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000362571046 300200065 /nfs/dbraw/zinc/20/00/65/300200065.db2.gz UUJFFPCLTGYKTH-LSDHHAIUSA-N 1 3 347.463 0.671 20 0 ECADHO NCc1cc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000362584686 300201790 /nfs/dbraw/zinc/20/17/90/300201790.db2.gz XEVVFFJQJMQWBN-LBPRGKRZSA-N 1 3 344.337 0.971 20 0 ECADHO CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CN2CCN1CCC2 ZINC000362703486 300211235 /nfs/dbraw/zinc/21/12/35/300211235.db2.gz GJQBSQFJADKBGW-MRXNPFEDSA-N 1 3 326.485 0.193 20 0 ECADHO C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000363649821 300283975 /nfs/dbraw/zinc/28/39/75/300283975.db2.gz AKHLSGUZFGIMSZ-QGZVFWFLSA-N 1 3 335.496 0.668 20 0 ECADHO CCOC(=O)[C@](C)(O)CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364340607 300346812 /nfs/dbraw/zinc/34/68/12/300346812.db2.gz HDVBLTCSGBAJQM-KCYZZUKISA-N 1 3 328.453 0.780 20 0 ECADHO CCOC(=O)[C@](C)(O)CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364340607 300346815 /nfs/dbraw/zinc/34/68/15/300346815.db2.gz HDVBLTCSGBAJQM-KCYZZUKISA-N 1 3 328.453 0.780 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074201657 436113207 /nfs/dbraw/zinc/11/32/07/436113207.db2.gz VLWBTUJRJHDVJR-MRXNPFEDSA-N 1 3 327.517 0.901 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074201657 436113211 /nfs/dbraw/zinc/11/32/11/436113211.db2.gz VLWBTUJRJHDVJR-MRXNPFEDSA-N 1 3 327.517 0.901 20 0 ECADHO CN1CCN(C(=O)C[NH+]2CCC(CCN3CCOCC3)CC2)CC1 ZINC000374470071 301110195 /nfs/dbraw/zinc/11/01/95/301110195.db2.gz IJESVMRRELIKJZ-UHFFFAOYSA-N 1 3 338.496 0.195 20 0 ECADHO CN1CC[NH+](CCCCNC(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000077644391 436244722 /nfs/dbraw/zinc/24/47/22/436244722.db2.gz PTCCCSGHTRZLEW-UHFFFAOYSA-N 1 3 337.512 0.751 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)NCC2(O)CCN(C)CC2)CC1 ZINC000080462188 436320499 /nfs/dbraw/zinc/32/04/99/436320499.db2.gz NJXWHFXGJDXUJF-UHFFFAOYSA-N 1 3 326.485 0.864 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCn1ccnc1 ZINC000080565270 436323178 /nfs/dbraw/zinc/32/31/78/436323178.db2.gz PSYGJZAFRVVEAL-INIZCTEOSA-N 1 3 336.484 0.941 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCn1ccnc1 ZINC000080565270 436323183 /nfs/dbraw/zinc/32/31/83/436323183.db2.gz PSYGJZAFRVVEAL-INIZCTEOSA-N 1 3 336.484 0.941 20 0 ECADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000516664357 301676142 /nfs/dbraw/zinc/67/61/42/301676142.db2.gz FFJKSTOHQFTDHN-JKSUJKDBSA-N 1 3 345.447 0.202 20 0 ECADHO COCCOCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760066 436496599 /nfs/dbraw/zinc/49/65/99/436496599.db2.gz ZTLVMHKTRBZLAU-UHFFFAOYSA-N 1 3 342.484 0.507 20 0 ECADHO CC(=O)NCc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000103212669 436553127 /nfs/dbraw/zinc/55/31/27/436553127.db2.gz NOTXIFHFXPDOGB-UHFFFAOYSA-N 1 3 340.493 0.950 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2cncn2)cc1 ZINC000103212188 436553421 /nfs/dbraw/zinc/55/34/21/436553421.db2.gz UTJZPYZURGNBCF-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000529316850 301937439 /nfs/dbraw/zinc/93/74/39/301937439.db2.gz XVWXBTJBNKXRRK-UHFFFAOYSA-N 1 3 342.484 0.683 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000108547923 436618411 /nfs/dbraw/zinc/61/84/11/436618411.db2.gz QHMWYFKXPHCDIH-DLBZAZTESA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000108547923 436618414 /nfs/dbraw/zinc/61/84/14/436618414.db2.gz QHMWYFKXPHCDIH-DLBZAZTESA-N 1 3 339.528 0.899 20 0 ECADHO CN1CCC(O)(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530619942 302019884 /nfs/dbraw/zinc/01/98/84/302019884.db2.gz ARCLHUHOBRWMDZ-LJQANCHMSA-N 1 3 347.459 0.196 20 0 ECADHO CN1CCC(O)(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530619942 302019885 /nfs/dbraw/zinc/01/98/85/302019885.db2.gz ARCLHUHOBRWMDZ-LJQANCHMSA-N 1 3 347.459 0.196 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OCC(N)=O)cc1 ZINC000530641315 302020875 /nfs/dbraw/zinc/02/08/75/302020875.db2.gz SJVVSUGCCDVIND-UHFFFAOYSA-N 1 3 336.436 0.116 20 0 ECADHO CN(C/C=C/C[N@H+](C)CCN1CCCC1=O)CCN1CCCC1=O ZINC000112703633 436633847 /nfs/dbraw/zinc/63/38/47/436633847.db2.gz XINIYVTWAFUNMY-ONEGZZNKSA-N 1 3 336.480 0.651 20 0 ECADHO CN(C/C=C/C[N@@H+](C)CCN1CCCC1=O)CCN1CCCC1=O ZINC000112703633 436633848 /nfs/dbraw/zinc/63/38/48/436633848.db2.gz XINIYVTWAFUNMY-ONEGZZNKSA-N 1 3 336.480 0.651 20 0 ECADHO C[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000542813620 302206386 /nfs/dbraw/zinc/20/63/86/302206386.db2.gz DFBFHANOHYJYJH-MRXNPFEDSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)n1nnnc1C(C)(C)C ZINC000544626900 302224709 /nfs/dbraw/zinc/22/47/09/302224709.db2.gz XUGLFBQWRLHPTL-ZDUSSCGKSA-N 1 3 339.488 0.483 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269288054 436653936 /nfs/dbraw/zinc/65/39/36/436653936.db2.gz JMWYGTBHHNSDRI-GOSISDBHSA-N 1 3 346.475 0.429 20 0 ECADHO CN(C)CCNC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000118094391 436660567 /nfs/dbraw/zinc/66/05/67/436660567.db2.gz NKJCXWYZVGBTJY-UHFFFAOYSA-N 1 3 336.436 0.633 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C)N(C)C ZINC000152095328 436719770 /nfs/dbraw/zinc/71/97/70/436719770.db2.gz JGKMIXGJORFNND-RBSFLKMASA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1)N(C)C ZINC000152095328 436719772 /nfs/dbraw/zinc/71/97/72/436719772.db2.gz JGKMIXGJORFNND-RBSFLKMASA-N 1 3 326.485 0.726 20 0 ECADHO COC(=O)Cn1cc(CCN2CCC(C[NH+]3CCCC3)CC2)nn1 ZINC000156154711 436812220 /nfs/dbraw/zinc/81/22/20/436812220.db2.gz LRCLQIMDNJDUJD-UHFFFAOYSA-N 1 3 335.452 0.801 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)CCn1nc2ccccn2c1=O ZINC000126430910 436788127 /nfs/dbraw/zinc/78/81/27/436788127.db2.gz QQBBKBOTWCXBBG-UHFFFAOYSA-N 1 3 346.479 0.454 20 0 ECADHO CN(CC(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CCSC1 ZINC000135843333 436926203 /nfs/dbraw/zinc/92/62/03/436926203.db2.gz LTZQYVJMDPADPA-HNNXBMFYSA-N 1 3 328.526 0.568 20 0 ECADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261545868 436878817 /nfs/dbraw/zinc/87/88/17/436878817.db2.gz LERZLXGZUZZNRV-WMZOPIPTSA-N 1 3 346.475 0.867 20 0 ECADHO CC[C@@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)N(C)C ZINC000161703924 436896321 /nfs/dbraw/zinc/89/63/21/436896321.db2.gz RQOBXRUMDWUCEK-INIZCTEOSA-N 1 3 334.464 0.934 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263279438 436960572 /nfs/dbraw/zinc/96/05/72/436960572.db2.gz TZKUJTMOIULDLL-CRAIPNDOSA-N 1 3 338.496 0.953 20 0 ECADHO NC(=O)c1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261800613 303346138 /nfs/dbraw/zinc/34/61/38/303346138.db2.gz AADAODWOVGLIKR-RDJZCZTQSA-N 1 3 344.459 0.866 20 0 ECADHO NCC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)C1 ZINC000414742949 303366393 /nfs/dbraw/zinc/36/63/93/303366393.db2.gz UUQYDOLBXNVJFC-RHSMWYFYSA-N 1 3 334.439 0.969 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423150534 303532713 /nfs/dbraw/zinc/53/27/13/303532713.db2.gz IVXFYBGHLQVHJG-XHSDSOJGSA-N 1 3 334.464 0.141 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000177883026 437201299 /nfs/dbraw/zinc/20/12/99/437201299.db2.gz UAGDEQCPMSWFPV-IAGOWNOFSA-N 1 3 339.528 0.853 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000177883026 437201306 /nfs/dbraw/zinc/20/13/06/437201306.db2.gz UAGDEQCPMSWFPV-IAGOWNOFSA-N 1 3 339.528 0.853 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000332086633 437207159 /nfs/dbraw/zinc/20/71/59/437207159.db2.gz HLNMUSDHGHSNFI-ARFHVFGLSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000332086633 437207164 /nfs/dbraw/zinc/20/71/64/437207164.db2.gz HLNMUSDHGHSNFI-ARFHVFGLSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](NC(=O)CN1CCNCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310150397 437170439 /nfs/dbraw/zinc/17/04/39/437170439.db2.gz OXZGLAAKMRUACE-FUHWJXTLSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@H](NC(=O)CN1CCNCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310150397 437170442 /nfs/dbraw/zinc/17/04/42/437170442.db2.gz OXZGLAAKMRUACE-FUHWJXTLSA-N 1 3 330.476 0.918 20 0 ECADHO O=c1[nH]c2ccccc2n1CCCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000326406327 437233506 /nfs/dbraw/zinc/23/35/06/437233506.db2.gz MNPPVTPEBFGKGS-HNNXBMFYSA-N 1 3 329.448 0.699 20 0 ECADHO C[C@H](CNC(=O)c1cc(C(=O)NC[C@H](C)[NH+](C)C)ccn1)N(C)C ZINC000266801958 437245777 /nfs/dbraw/zinc/24/57/77/437245777.db2.gz HCMDCJQVCSWCNY-QWHCGFSZSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](CNC(=O)c1cc(C(=O)NC[C@H](C)N(C)C)ccn1)[NH+](C)C ZINC000266801958 437245782 /nfs/dbraw/zinc/24/57/82/437245782.db2.gz HCMDCJQVCSWCNY-QWHCGFSZSA-N 1 3 335.452 0.441 20 0 ECADHO CCN1CCN(CCC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CC1 ZINC000288836713 437360712 /nfs/dbraw/zinc/36/07/12/437360712.db2.gz VOZYYKBVBZIPJM-LBPRGKRZSA-N 1 3 337.493 0.925 20 0 ECADHO CCN1CCO[C@@H](C(=O)NC(C)(C)CCN2CCN(C)CC2)C1 ZINC000184212344 437399982 /nfs/dbraw/zinc/39/99/82/437399982.db2.gz NBCVSRLEDKWLRE-OAHLLOKOSA-N 1 3 326.485 0.239 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000339637752 437481909 /nfs/dbraw/zinc/48/19/09/437481909.db2.gz UECCDWUSTRGCHJ-HOCLYGCPSA-N 1 3 338.496 0.917 20 0 ECADHO COc1cc(CNC(=O)[C@@H](CN)OC)ccc1OCC[NH+](C)C ZINC000289970940 437452270 /nfs/dbraw/zinc/45/22/70/437452270.db2.gz NIXIHRVKPXYGAG-OAHLLOKOSA-N 1 3 325.409 0.226 20 0 ECADHO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)[C@@H](CN)C2CC2)cc1 ZINC000359981948 437497697 /nfs/dbraw/zinc/49/76/97/437497697.db2.gz BHTHKYKWCRCETC-INIZCTEOSA-N 1 3 341.477 0.985 20 0 ECADHO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)[C@@H](CN)C2CC2)cc1 ZINC000359981948 437497705 /nfs/dbraw/zinc/49/77/05/437497705.db2.gz BHTHKYKWCRCETC-INIZCTEOSA-N 1 3 341.477 0.985 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000360163982 437541891 /nfs/dbraw/zinc/54/18/91/437541891.db2.gz QVOWHPIHNVYJFX-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000360163982 437541895 /nfs/dbraw/zinc/54/18/95/437541895.db2.gz QVOWHPIHNVYJFX-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1(N)C[C@@H](OCC)C1(C)C ZINC000188254051 437538065 /nfs/dbraw/zinc/53/80/65/437538065.db2.gz ADGDSZPLVYLYBO-CKEIUWERSA-N 1 3 329.485 0.992 20 0 ECADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000360219914 437558755 /nfs/dbraw/zinc/55/87/55/437558755.db2.gz XATRZKYTLPCJMG-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000360219914 437558762 /nfs/dbraw/zinc/55/87/62/437558762.db2.gz XATRZKYTLPCJMG-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](NC1CC[NH+](CCN2CCOCC2)CC1)C(=O)N1CCCC1 ZINC000343456032 437587573 /nfs/dbraw/zinc/58/75/73/437587573.db2.gz CUFMOYISEFBATM-INIZCTEOSA-N 1 3 338.496 0.384 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340479532 437662703 /nfs/dbraw/zinc/66/27/03/437662703.db2.gz RROAYDTXYJOCCI-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340479532 437662709 /nfs/dbraw/zinc/66/27/09/437662709.db2.gz RROAYDTXYJOCCI-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO CCN(CCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000340495615 437671265 /nfs/dbraw/zinc/67/12/65/437671265.db2.gz IARSFVINLWJOII-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2CCC([NH3+])CC2)c(OCCN(C)C)c1 ZINC000415252779 437771110 /nfs/dbraw/zinc/77/11/10/437771110.db2.gz AOWMMOQLXXCYMD-UHFFFAOYSA-N 1 3 348.447 0.824 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000340919257 437759331 /nfs/dbraw/zinc/75/93/31/437759331.db2.gz QOBAFFOCDDGDOW-KRWDZBQOSA-N 1 3 346.475 0.645 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340919257 437759334 /nfs/dbraw/zinc/75/93/34/437759334.db2.gz QOBAFFOCDDGDOW-KRWDZBQOSA-N 1 3 346.475 0.645 20 0 ECADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000423743461 437820327 /nfs/dbraw/zinc/82/03/27/437820327.db2.gz MJONUEQYRZRINO-HOTGVXAUSA-N 1 3 340.537 0.710 20 0 ECADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000423743461 437820330 /nfs/dbraw/zinc/82/03/30/437820330.db2.gz MJONUEQYRZRINO-HOTGVXAUSA-N 1 3 340.537 0.710 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC(=O)N(C)C ZINC000341048913 437784978 /nfs/dbraw/zinc/78/49/78/437784978.db2.gz HPKJMAUOXMZZCR-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC(=O)N(C)C ZINC000341048913 437784982 /nfs/dbraw/zinc/78/49/82/437784982.db2.gz HPKJMAUOXMZZCR-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000370461139 437786866 /nfs/dbraw/zinc/78/68/66/437786866.db2.gz CXCSVSKIHGXWCU-NJAFHUGGSA-N 1 3 349.523 0.891 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000370461139 437786872 /nfs/dbraw/zinc/78/68/72/437786872.db2.gz CXCSVSKIHGXWCU-NJAFHUGGSA-N 1 3 349.523 0.891 20 0 ECADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N(C)C1CC1 ZINC000341172666 437808659 /nfs/dbraw/zinc/80/86/59/437808659.db2.gz UXAPQOSIWPDVHS-UONOGXRCSA-N 1 3 339.484 0.356 20 0 ECADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N(C)C1CC1 ZINC000341172666 437808662 /nfs/dbraw/zinc/80/86/62/437808662.db2.gz UXAPQOSIWPDVHS-UONOGXRCSA-N 1 3 339.484 0.356 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1=O ZINC000423974067 437868280 /nfs/dbraw/zinc/86/82/80/437868280.db2.gz RPGQTZSMURDGKO-DLBZAZTESA-N 1 3 346.475 0.993 20 0 ECADHO C[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000341599718 437871669 /nfs/dbraw/zinc/87/16/69/437871669.db2.gz VPSJFVSPQOAPLP-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415623009 437833139 /nfs/dbraw/zinc/83/31/39/437833139.db2.gz FARYGTDHPWWQSJ-OAHLLOKOSA-N 1 3 332.448 0.988 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415627937 437833909 /nfs/dbraw/zinc/83/39/09/437833909.db2.gz TUAMBULOFAEYSU-XJKSGUPXSA-N 1 3 348.447 0.680 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415657145 437839028 /nfs/dbraw/zinc/83/90/28/437839028.db2.gz MYRFWHAKWSJOEQ-CYBMUJFWSA-N 1 3 336.436 0.680 20 0 ECADHO CN(C)CCN(C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000341404991 437840111 /nfs/dbraw/zinc/84/01/11/437840111.db2.gz NEMBCWHGZFKLQZ-HZPDHXFCSA-N 1 3 340.512 0.833 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN3CCC2CC3)CC1=O ZINC000365018165 437846004 /nfs/dbraw/zinc/84/60/04/437846004.db2.gz NNAXETYDOPWSDL-RDJZCZTQSA-N 1 3 348.491 0.626 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN3CCC2CC3)CC1=O ZINC000365018165 437846007 /nfs/dbraw/zinc/84/60/07/437846007.db2.gz NNAXETYDOPWSDL-RDJZCZTQSA-N 1 3 348.491 0.626 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415815838 437862904 /nfs/dbraw/zinc/86/29/04/437862904.db2.gz LWSMXXBTBPCVJU-ZBFHGGJFSA-N 1 3 330.432 0.815 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000341990857 437935262 /nfs/dbraw/zinc/93/52/62/437935262.db2.gz GRQHDFQZUIUIHE-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000341990857 437935269 /nfs/dbraw/zinc/93/52/69/437935269.db2.gz GRQHDFQZUIUIHE-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000347684922 437933512 /nfs/dbraw/zinc/93/35/12/437933512.db2.gz NFXKQTCTGQFSIU-INIZCTEOSA-N 1 3 326.485 0.099 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347567484 437909461 /nfs/dbraw/zinc/90/94/61/437909461.db2.gz YGNDRNKCDNFAAL-OAHLLOKOSA-N 1 3 330.432 0.607 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347567484 437909467 /nfs/dbraw/zinc/90/94/67/437909467.db2.gz YGNDRNKCDNFAAL-OAHLLOKOSA-N 1 3 330.432 0.607 20 0 ECADHO CCN1CCN(C(=O)CC2CCN(CCOCC[NH3+])CC2)CC1 ZINC000357090206 437909582 /nfs/dbraw/zinc/90/95/82/437909582.db2.gz ZWVGZJJZPFHGCC-UHFFFAOYSA-N 1 3 326.485 0.228 20 0 ECADHO COC[C@H](C)OC[C@@H](O)CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365709933 437955303 /nfs/dbraw/zinc/95/53/03/437955303.db2.gz GETGEHLBCJLRND-SZMVWBNQSA-N 1 3 343.512 0.499 20 0 ECADHO COC[C@H](C)OC[C@@H](O)CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365709933 437955309 /nfs/dbraw/zinc/95/53/09/437955309.db2.gz GETGEHLBCJLRND-SZMVWBNQSA-N 1 3 343.512 0.499 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1)N(C)C1CC1 ZINC000342073800 437959397 /nfs/dbraw/zinc/95/93/97/437959397.db2.gz KHQYYVWTXAXRPT-CQSZACIVSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@H+](C)C1CC1 ZINC000342075917 437962306 /nfs/dbraw/zinc/96/23/06/437962306.db2.gz OIHZCQIQFPTGLZ-HIFRSBDPSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@@H+](C)C1CC1 ZINC000342075917 437962310 /nfs/dbraw/zinc/96/23/10/437962310.db2.gz OIHZCQIQFPTGLZ-HIFRSBDPSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N(C)C1CC1 ZINC000342102697 437967512 /nfs/dbraw/zinc/96/75/12/437967512.db2.gz GXCDDGFABBBJSW-KGLIPLIRSA-N 1 3 338.496 0.774 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417199136 438030353 /nfs/dbraw/zinc/03/03/53/438030353.db2.gz SOGKYMVBTVBFES-IRXDYDNUSA-N 1 3 334.464 0.837 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1CC[NH2+]C1 ZINC000417370899 438043625 /nfs/dbraw/zinc/04/36/25/438043625.db2.gz ULLLXLJKZWVAID-HNNXBMFYSA-N 1 3 332.452 0.255 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000417366364 438044104 /nfs/dbraw/zinc/04/41/04/438044104.db2.gz KGSFCFUDNZIQNC-MRXNPFEDSA-N 1 3 346.479 0.645 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)NC[C@H]1CCC[NH2+]1 ZINC000417372278 438044141 /nfs/dbraw/zinc/04/41/41/438044141.db2.gz YPTNVLMRXHNWKG-MRXNPFEDSA-N 1 3 346.479 0.645 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)CN1 ZINC000417427048 438047875 /nfs/dbraw/zinc/04/78/75/438047875.db2.gz IIFUCDCACUUQBN-RBSFLKMASA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)CN1 ZINC000417427048 438047880 /nfs/dbraw/zinc/04/78/80/438047880.db2.gz IIFUCDCACUUQBN-RBSFLKMASA-N 1 3 339.484 0.321 20 0 ECADHO CN(C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)Cc1ccccc1 ZINC000416858312 437996784 /nfs/dbraw/zinc/99/67/84/437996784.db2.gz YWSZYIZTUHGKCD-DLBZAZTESA-N 1 3 333.480 0.362 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000416971631 438008134 /nfs/dbraw/zinc/00/81/34/438008134.db2.gz QFAINRNMSIHDSP-IYBDPMFKSA-N 1 3 332.448 0.988 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000417813182 438080505 /nfs/dbraw/zinc/08/05/05/438080505.db2.gz MCWOTDBGPJJGCZ-OAHLLOKOSA-N 1 3 337.472 0.815 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000417813182 438080507 /nfs/dbraw/zinc/08/05/07/438080507.db2.gz MCWOTDBGPJJGCZ-OAHLLOKOSA-N 1 3 337.472 0.815 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C=C[C@H](CO)C3)CC2)CC1 ZINC000357856625 438084706 /nfs/dbraw/zinc/08/47/06/438084706.db2.gz STWKGANETXKQIN-GOEBONIOSA-N 1 3 336.480 0.781 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccn1 ZINC000417952515 438093571 /nfs/dbraw/zinc/09/35/71/438093571.db2.gz OJUGXGUNOFFTDR-ZFWWWQNUSA-N 1 3 335.452 0.949 20 0 ECADHO [NH3+]C[C@@H](NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)C1CC1 ZINC000417988802 438096046 /nfs/dbraw/zinc/09/60/46/438096046.db2.gz IUUXCCOHXSDVRZ-IAGOWNOFSA-N 1 3 332.448 0.790 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NC2(C)CC[NH2+]CC2)ccn1 ZINC000417962805 438096605 /nfs/dbraw/zinc/09/66/05/438096605.db2.gz ZTOWKSPSPLOMOO-UHFFFAOYSA-N 1 3 335.452 0.963 20 0 ECADHO [NH3+][C@@H](CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1)C1CC1 ZINC000417982617 438097755 /nfs/dbraw/zinc/09/77/55/438097755.db2.gz BJDAAJHVFDKECQ-IRXDYDNUSA-N 1 3 332.448 0.790 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000348767555 438098276 /nfs/dbraw/zinc/09/82/76/438098276.db2.gz WVGVAJHKSGWWSC-GJZGRUSLSA-N 1 3 336.480 0.553 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000348767555 438098282 /nfs/dbraw/zinc/09/82/82/438098282.db2.gz WVGVAJHKSGWWSC-GJZGRUSLSA-N 1 3 336.480 0.553 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417583626 438061105 /nfs/dbraw/zinc/06/11/05/438061105.db2.gz KXVAHFVZHHCIQD-CABCVRRESA-N 1 3 339.484 0.357 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417583627 438061629 /nfs/dbraw/zinc/06/16/29/438061629.db2.gz KXVAHFVZHHCIQD-GJZGRUSLSA-N 1 3 339.484 0.357 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)CN1CCN(C)CC1 ZINC000417756861 438076207 /nfs/dbraw/zinc/07/62/07/438076207.db2.gz SMSXWSPTGKZEFH-NVXWUHKLSA-N 1 3 333.480 0.869 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000417754495 438076730 /nfs/dbraw/zinc/07/67/30/438076730.db2.gz PLHDEGJWPDXUJV-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO CN(CCN1CCN(C(=O)NCCC[NH3+])CC1)Cc1ccccc1 ZINC000418313369 438128464 /nfs/dbraw/zinc/12/84/64/438128464.db2.gz QLTBZLHJHUHPLM-UHFFFAOYSA-N 1 3 333.480 0.794 20 0 ECADHO CN(C)CCOc1ccccc1N1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418311134 438129763 /nfs/dbraw/zinc/12/97/63/438129763.db2.gz LDANVVSZCBZDRL-UHFFFAOYSA-N 1 3 349.479 0.807 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418377359 438138481 /nfs/dbraw/zinc/13/84/81/438138481.db2.gz ZEOPCJRBMGAUAT-QAPCUYQASA-N 1 3 334.464 0.778 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418365716 438135626 /nfs/dbraw/zinc/13/56/26/438135626.db2.gz FBQGCPVXQNBUTE-CABCVRRESA-N 1 3 325.501 0.652 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418369239 438135694 /nfs/dbraw/zinc/13/56/94/438135694.db2.gz NNEYBCKKFKSGRF-SJLPKXTDSA-N 1 3 332.448 0.675 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418369241 438136926 /nfs/dbraw/zinc/13/69/26/438136926.db2.gz NNEYBCKKFKSGRF-WMZOPIPTSA-N 1 3 332.448 0.675 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)C(=O)NCCN(C)C ZINC000418378827 438139489 /nfs/dbraw/zinc/13/94/89/438139489.db2.gz VTGVAAPFVJAUHS-KGLIPLIRSA-N 1 3 327.473 0.130 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418413769 438143409 /nfs/dbraw/zinc/14/34/09/438143409.db2.gz ZFDCXQDKXRUIAN-INIZCTEOSA-N 1 3 325.501 0.783 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)F)CCN1C1CCN(C)CC1 ZINC000418742435 438180275 /nfs/dbraw/zinc/18/02/75/438180275.db2.gz RCRPLPYUGRGDPG-OCCSQVGLSA-N 1 3 347.454 0.779 20 0 ECADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000418764829 438185069 /nfs/dbraw/zinc/18/50/69/438185069.db2.gz OMOXWQYWDPSQLL-RDJZCZTQSA-N 1 3 349.479 0.501 20 0 ECADHO O=C1NC[C@@H]2[C@H]1CCCN2CCCC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374072597 438185960 /nfs/dbraw/zinc/18/59/60/438185960.db2.gz REPCJBJJDQFSGF-KLHDSHLOSA-N 1 3 334.464 0.187 20 0 ECADHO O=C1NC[C@@H]2[C@H]1CCCN2CCCC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374072597 438185964 /nfs/dbraw/zinc/18/59/64/438185964.db2.gz REPCJBJJDQFSGF-KLHDSHLOSA-N 1 3 334.464 0.187 20 0 ECADHO [NH3+]CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418508939 438152627 /nfs/dbraw/zinc/15/26/27/438152627.db2.gz LQVNPUNACOTGPT-IAGOWNOFSA-N 1 3 334.464 0.908 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000418551887 438159384 /nfs/dbraw/zinc/15/93/84/438159384.db2.gz QMGJCAYGXNOYMZ-OAHLLOKOSA-N 1 3 325.501 0.844 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C(=O)NCCN(C)C ZINC000418584090 438161808 /nfs/dbraw/zinc/16/18/08/438161808.db2.gz XGNZWQAVSWIGJM-KKUMJFAQSA-N 1 3 341.500 0.376 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H]1CCCN1CCCO ZINC000418575723 438162543 /nfs/dbraw/zinc/16/25/43/438162543.db2.gz HBDHYISHWQXHID-KRWDZBQOSA-N 1 3 332.448 0.936 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000418842806 438211648 /nfs/dbraw/zinc/21/16/48/438211648.db2.gz BVHGYUWIDQTMSR-SJORKVTESA-N 1 3 346.475 0.343 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418849124 438214850 /nfs/dbraw/zinc/21/48/50/438214850.db2.gz CPYKKLCIUCLFAV-DLBZAZTESA-N 1 3 346.475 0.486 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418875571 438230245 /nfs/dbraw/zinc/23/02/45/438230245.db2.gz KTHMJGKYEQDUAX-CVEARBPZSA-N 1 3 332.448 0.129 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418881829 438233996 /nfs/dbraw/zinc/23/39/96/438233996.db2.gz XZECUYBPRLYWNK-IAGOWNOFSA-N 1 3 346.475 0.534 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CCSC1 ZINC000433381619 438242964 /nfs/dbraw/zinc/24/29/64/438242964.db2.gz ANXGKSMUJFHTIJ-WFASDCNBSA-N 1 3 338.481 0.370 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1(C)C ZINC000374238924 438198081 /nfs/dbraw/zinc/19/80/81/438198081.db2.gz CBYJQMMPXPPEAQ-INIZCTEOSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1(C)C ZINC000374238924 438198083 /nfs/dbraw/zinc/19/80/83/438198083.db2.gz CBYJQMMPXPPEAQ-INIZCTEOSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000418827118 438202806 /nfs/dbraw/zinc/20/28/06/438202806.db2.gz BUPCBFYFZOZVES-CVEARBPZSA-N 1 3 332.448 0.225 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418957009 438263492 /nfs/dbraw/zinc/26/34/92/438263492.db2.gz DAHPABXLHWQABX-LSDHHAIUSA-N 1 3 334.464 0.595 20 0 ECADHO CC1CCN([C@@H](CNC(=O)C(=O)N(C)CC[NH3+])c2ccccc2)CC1 ZINC000418956760 438264400 /nfs/dbraw/zinc/26/44/00/438264400.db2.gz ZCZYYUSNZGOVAO-KRWDZBQOSA-N 1 3 346.475 0.993 20 0 ECADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418995774 438276799 /nfs/dbraw/zinc/27/67/99/438276799.db2.gz MQTFTTBBXISLBV-XJKSGUPXSA-N 1 3 332.448 0.560 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H](CN)C2CC2)c1 ZINC000419015163 438286962 /nfs/dbraw/zinc/28/69/62/438286962.db2.gz DSHALUSEIGGZAW-INIZCTEOSA-N 1 3 332.448 0.608 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H](CN)C2CC2)c1 ZINC000419015163 438286965 /nfs/dbraw/zinc/28/69/65/438286965.db2.gz DSHALUSEIGGZAW-INIZCTEOSA-N 1 3 332.448 0.608 20 0 ECADHO C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000351555954 438289272 /nfs/dbraw/zinc/28/92/72/438289272.db2.gz GBRFKDBTSJXSFX-ZBFHGGJFSA-N 1 3 332.448 0.491 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419020856 438291833 /nfs/dbraw/zinc/29/18/33/438291833.db2.gz GFGRZXYWXNBMJX-LJISPDSOSA-N 1 3 326.485 0.569 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC000419023780 438293223 /nfs/dbraw/zinc/29/32/23/438293223.db2.gz DUCZQLRAEXFGEW-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419027954 438295463 /nfs/dbraw/zinc/29/54/63/438295463.db2.gz PIXSMKDXSTVRPI-VKJFTORMSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000419098904 438319098 /nfs/dbraw/zinc/31/90/98/438319098.db2.gz CUWSBXCSNRZUQV-GOEBONIOSA-N 1 3 346.475 0.867 20 0 ECADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000419097256 438319362 /nfs/dbraw/zinc/31/93/62/438319362.db2.gz ALRHFUSXNACEHG-INIZCTEOSA-N 1 3 346.475 0.868 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000351734076 438329671 /nfs/dbraw/zinc/32/96/71/438329671.db2.gz LKRPJLCKGAQBAR-IXDOHACOSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000351734076 438329678 /nfs/dbraw/zinc/32/96/78/438329678.db2.gz LKRPJLCKGAQBAR-IXDOHACOSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N1CCC(C)CC1 ZINC000419141481 438345663 /nfs/dbraw/zinc/34/56/63/438345663.db2.gz ATAKDXGTDXXWSP-GOEBONIOSA-N 1 3 338.496 0.857 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000419074903 438311214 /nfs/dbraw/zinc/31/12/14/438311214.db2.gz FKENZFQIABJQLC-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CN1CC[C@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)C[C@H]21 ZINC000378463123 438389762 /nfs/dbraw/zinc/38/97/62/438389762.db2.gz ZXOSIEFTKNTGEX-DOTOQJQBSA-N 1 3 337.512 0.748 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419221913 438351362 /nfs/dbraw/zinc/35/13/62/438351362.db2.gz AXSAMFPCFCVZER-WBVHZDCISA-N 1 3 346.475 0.739 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419653098 438364971 /nfs/dbraw/zinc/36/49/71/438364971.db2.gz FEYSTUOTRZCWCK-DOTOQJQBSA-N 1 3 346.475 0.881 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419785362 438370799 /nfs/dbraw/zinc/37/07/99/438370799.db2.gz YRFFZOMQGZLZTL-RDTXWAMCSA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419787118 438371471 /nfs/dbraw/zinc/37/14/71/438371471.db2.gz VRLYQKYSVSTXAQ-HYVNUMGLSA-N 1 3 346.475 0.786 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419899003 438378210 /nfs/dbraw/zinc/37/82/10/438378210.db2.gz QBXNPBVDTYHHCU-CABCVRRESA-N 1 3 342.484 0.189 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419971262 438379212 /nfs/dbraw/zinc/37/92/12/438379212.db2.gz WLKNSTGZDBMWON-JKSUJKDBSA-N 1 3 338.496 0.951 20 0 ECADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000352519656 438433202 /nfs/dbraw/zinc/43/32/02/438433202.db2.gz QONVYIBNBMCWPU-MRXNPFEDSA-N 1 3 346.479 0.719 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000359275618 438400415 /nfs/dbraw/zinc/40/04/15/438400415.db2.gz PWZFKQIRFGWCQA-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)NCc1ccccc1 ZINC000420339748 438402955 /nfs/dbraw/zinc/40/29/55/438402955.db2.gz OYEOIPHZOZWYES-IYBDPMFKSA-N 1 3 330.432 0.944 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436295959 438404575 /nfs/dbraw/zinc/40/45/75/438404575.db2.gz IJPSDHRNTGTGPT-RVKKMQEKSA-N 1 3 336.480 0.435 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CCN(C)CC2)CC1=O ZINC000369034863 438415049 /nfs/dbraw/zinc/41/50/49/438415049.db2.gz BCPMVRQHJDLVFU-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CCN(C)CC2)CC1=O ZINC000369034863 438415052 /nfs/dbraw/zinc/41/50/52/438415052.db2.gz BCPMVRQHJDLVFU-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)CN1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442598516 438611639 /nfs/dbraw/zinc/61/16/39/438611639.db2.gz ARNOEMDBHLVSBR-UHFFFAOYSA-N 1 3 339.528 0.996 20 0 ECADHO CC(C)CN1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442598516 438611643 /nfs/dbraw/zinc/61/16/43/438611643.db2.gz ARNOEMDBHLVSBR-UHFFFAOYSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000422963889 438621199 /nfs/dbraw/zinc/62/11/99/438621199.db2.gz HCXNSVAYLOPBTO-NUEKZKHPSA-N 1 3 325.478 0.959 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000442767344 438622181 /nfs/dbraw/zinc/62/21/81/438622181.db2.gz YLGXWTZIXAEZES-NEPJUHHUSA-N 1 3 340.449 0.332 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423064121 438634210 /nfs/dbraw/zinc/63/42/10/438634210.db2.gz QMJSCDLAZPDGCY-HNNXBMFYSA-N 1 3 326.485 0.620 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000410780300 438656521 /nfs/dbraw/zinc/65/65/21/438656521.db2.gz QPBZHXNGLXUWLB-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000410780300 438656523 /nfs/dbraw/zinc/65/65/23/438656523.db2.gz QPBZHXNGLXUWLB-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000423151383 438643583 /nfs/dbraw/zinc/64/35/83/438643583.db2.gz KBRAHJQJHQRTMO-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423210551 438647991 /nfs/dbraw/zinc/64/79/91/438647991.db2.gz XAQWEENHANRTIJ-AWEZNQCLSA-N 1 3 340.493 0.493 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000423204549 438648089 /nfs/dbraw/zinc/64/80/89/438648089.db2.gz URCFEOVETFDCQH-JKSUJKDBSA-N 1 3 336.480 0.661 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423222798 438649999 /nfs/dbraw/zinc/64/99/99/438649999.db2.gz CPQLDHVETDUPNT-ZACQAIPSSA-N 1 3 348.491 0.531 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000423261393 438654422 /nfs/dbraw/zinc/65/44/22/438654422.db2.gz SDLMRSSRBZKZPH-QGZVFWFLSA-N 1 3 346.475 0.835 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410810867 438661076 /nfs/dbraw/zinc/66/10/76/438661076.db2.gz UZKNRFVIUNZCKE-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410810867 438661080 /nfs/dbraw/zinc/66/10/80/438661080.db2.gz UZKNRFVIUNZCKE-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000410842616 438665283 /nfs/dbraw/zinc/66/52/83/438665283.db2.gz KWXRENDGWABAJI-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000410842616 438665286 /nfs/dbraw/zinc/66/52/86/438665286.db2.gz KWXRENDGWABAJI-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410882348 438666028 /nfs/dbraw/zinc/66/60/28/438666028.db2.gz FGIAUURDINPLFL-CVEARBPZSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410882348 438666031 /nfs/dbraw/zinc/66/60/31/438666031.db2.gz FGIAUURDINPLFL-CVEARBPZSA-N 1 3 338.496 0.728 20 0 ECADHO CC1(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)C[NH2+]C1 ZINC000423361942 438667048 /nfs/dbraw/zinc/66/70/48/438667048.db2.gz HECWWBFLHYXGGE-CQSZACIVSA-N 1 3 330.432 0.932 20 0 ECADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423298580 438657698 /nfs/dbraw/zinc/65/76/98/438657698.db2.gz OQFNSSVPEFXULW-KBPBESRZSA-N 1 3 341.477 0.953 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000414709729 438715535 /nfs/dbraw/zinc/71/55/35/438715535.db2.gz RQYYUSUQDFQKGE-UHFFFAOYSA-N 1 3 348.447 0.811 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000454592587 438720839 /nfs/dbraw/zinc/72/08/39/438720839.db2.gz RUKBZJUQPBCCSQ-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000454592587 438720842 /nfs/dbraw/zinc/72/08/42/438720842.db2.gz RUKBZJUQPBCCSQ-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415120726 438729619 /nfs/dbraw/zinc/72/96/19/438729619.db2.gz JIRUHMIJZATQFZ-UHFFFAOYSA-N 1 3 346.431 0.661 20 0 ECADHO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415128198 438730485 /nfs/dbraw/zinc/73/04/85/438730485.db2.gz RUYLTXAJZGSAFE-UHFFFAOYSA-N 1 3 336.411 0.914 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415160030 438733251 /nfs/dbraw/zinc/73/32/51/438733251.db2.gz KSVXCHLMZNGIJX-UHFFFAOYSA-N 1 3 334.420 0.515 20 0 ECADHO Cc1cccc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000553880908 438757620 /nfs/dbraw/zinc/75/76/20/438757620.db2.gz PUABYIJPWCPHTJ-UHFFFAOYSA-N 1 3 349.479 0.001 20 0 ECADHO C[NH+](C)CCCN1C(=O)C[C@@H](N2CCCC3(CCOCC3)C2)C1=O ZINC000556045259 438781548 /nfs/dbraw/zinc/78/15/48/438781548.db2.gz MLPSKQYPWAANQY-OAHLLOKOSA-N 1 3 337.464 0.958 20 0 ECADHO CN(C)[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)C1CCCCC1 ZINC000577054545 438809484 /nfs/dbraw/zinc/80/94/84/438809484.db2.gz AFBXBWJEQUBYHP-ROUUACIJSA-N 1 3 326.529 0.695 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000577054545 438809488 /nfs/dbraw/zinc/80/94/88/438809488.db2.gz AFBXBWJEQUBYHP-ROUUACIJSA-N 1 3 326.529 0.695 20 0 ECADHO O=C(C(=O)N1CCCNCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000577214677 438824368 /nfs/dbraw/zinc/82/43/68/438824368.db2.gz ZJRVUKZAYRGVCA-GOEBONIOSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(C(=O)N1CCCNCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000577214677 438824373 /nfs/dbraw/zinc/82/43/73/438824373.db2.gz ZJRVUKZAYRGVCA-GOEBONIOSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000577530680 438851118 /nfs/dbraw/zinc/85/11/18/438851118.db2.gz PUXYPDFJABAOFW-QLFBSQMISA-N 1 3 337.468 0.060 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000577530680 438851126 /nfs/dbraw/zinc/85/11/26/438851126.db2.gz PUXYPDFJABAOFW-QLFBSQMISA-N 1 3 337.468 0.060 20 0 ECADHO CN1CCN(c2ncccc2C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000516450427 438908343 /nfs/dbraw/zinc/90/83/43/438908343.db2.gz OLUHJGCKMNWPBS-QZTJIDSGSA-N 1 3 345.491 0.690 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3COC[C@H]3O)CC2)CC1 ZINC000578082277 438897324 /nfs/dbraw/zinc/89/73/24/438897324.db2.gz LQLWFUZYLGBTAF-IAGOWNOFSA-N 1 3 339.480 0.401 20 0 ECADHO CN1CCC(C[NH2+]C[C@H](O)CC(F)(F)F)(N2CCOCC2)CC1 ZINC000516276517 438900205 /nfs/dbraw/zinc/90/02/05/438900205.db2.gz BUKYFSJIWKUUQS-CYBMUJFWSA-N 1 3 339.402 0.686 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000516345624 438902297 /nfs/dbraw/zinc/90/22/97/438902297.db2.gz HFHNRZKNOHSYKG-CLWVCHIJSA-N 1 3 334.464 0.280 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000516345624 438902299 /nfs/dbraw/zinc/90/22/99/438902299.db2.gz HFHNRZKNOHSYKG-CLWVCHIJSA-N 1 3 334.464 0.280 20 0 ECADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000515302027 438859794 /nfs/dbraw/zinc/85/97/94/438859794.db2.gz HUODKBCWSLEUIW-DLBZAZTESA-N 1 3 332.448 0.869 20 0 ECADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000577714007 438865468 /nfs/dbraw/zinc/86/54/68/438865468.db2.gz VQRLVFOASWECRX-AWEZNQCLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000577714007 438865474 /nfs/dbraw/zinc/86/54/74/438865474.db2.gz VQRLVFOASWECRX-AWEZNQCLSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCN(C)C2CC2)CC1 ZINC000577769555 438871516 /nfs/dbraw/zinc/87/15/16/438871516.db2.gz OWGAHPBQGMYRKA-UHFFFAOYSA-N 1 3 339.484 0.370 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000564936616 438891097 /nfs/dbraw/zinc/89/10/97/438891097.db2.gz HDEKEGQXPYPPTI-IBGZPJMESA-N 1 3 331.460 0.881 20 0 ECADHO Cc1c(C(=O)NC[C@H](N)c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000564941996 438892362 /nfs/dbraw/zinc/89/23/62/438892362.db2.gz CNXLFTIOJHWYJC-HNNXBMFYSA-N 1 3 328.420 0.941 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC(N)=O)C(C)C)CC2)CC1 ZINC000565171829 438921183 /nfs/dbraw/zinc/92/11/83/438921183.db2.gz MODRUMILIHHVJL-UHFFFAOYSA-N 1 3 338.496 0.905 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000578638258 438940625 /nfs/dbraw/zinc/94/06/25/438940625.db2.gz NIXXVNQPJHABRV-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COC[C@H]1OC ZINC000578645382 438942745 /nfs/dbraw/zinc/94/27/45/438942745.db2.gz JXPNSRNUFVKHHZ-ARFHVFGLSA-N 1 3 342.484 0.458 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COC[C@H]1OC ZINC000578645382 438942748 /nfs/dbraw/zinc/94/27/48/438942748.db2.gz JXPNSRNUFVKHHZ-ARFHVFGLSA-N 1 3 342.484 0.458 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CN1C1CC1 ZINC000517022642 438946167 /nfs/dbraw/zinc/94/61/67/438946167.db2.gz WODFFJMROWLIFK-BFYDXBDKSA-N 1 3 348.491 0.815 20 0 ECADHO CS(=O)(=O)N1CCC[C@@H](CN2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000517031522 438947330 /nfs/dbraw/zinc/94/73/30/438947330.db2.gz JNIJJCYCGGSWPJ-GJZGRUSLSA-N 1 3 345.509 0.345 20 0 ECADHO C[C@@H]1CCC[C@@](CNC[C@H](O)CN2CCN(C)CC2)([NH+](C)C)C1 ZINC000565409044 438948951 /nfs/dbraw/zinc/94/89/51/438948951.db2.gz DZUDIPHEVOVFLL-FGTMMUONSA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H]1CCC[C@@](C[NH2+]C[C@H](O)CN2CCN(C)CC2)(N(C)C)C1 ZINC000565409044 438948958 /nfs/dbraw/zinc/94/89/58/438948958.db2.gz DZUDIPHEVOVFLL-FGTMMUONSA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@@H]1C[NH3+] ZINC000578857572 438959072 /nfs/dbraw/zinc/95/90/72/438959072.db2.gz IWXOGRKKROIZKP-CABCVRRESA-N 1 3 338.496 0.763 20 0 ECADHO C[N@H+](CCNC(=O)Nc1cnc(N2CCNCC2)nc1)C1CCCC1 ZINC000517334265 438959706 /nfs/dbraw/zinc/95/97/06/438959706.db2.gz BQYDGVGMOMKINP-UHFFFAOYSA-N 1 3 347.467 0.882 20 0 ECADHO C[N@@H+](CCNC(=O)Nc1cnc(N2CCNCC2)nc1)C1CCCC1 ZINC000517334265 438959709 /nfs/dbraw/zinc/95/97/09/438959709.db2.gz BQYDGVGMOMKINP-UHFFFAOYSA-N 1 3 347.467 0.882 20 0 ECADHO C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCN1CCCC1)CC[NH2+]CC2 ZINC000517557125 438968403 /nfs/dbraw/zinc/96/84/03/438968403.db2.gz YPGKHAKHQHLMKA-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)C1=CCN(C)CC1 ZINC000579227579 438990905 /nfs/dbraw/zinc/99/09/05/438990905.db2.gz RAJWDAKZIJFZQQ-CABCVRRESA-N 1 3 348.491 0.744 20 0 ECADHO CN1CCN(C)[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518438174 438998441 /nfs/dbraw/zinc/99/84/41/438998441.db2.gz WJVGUQRUMAOKLF-ZWKOTPCHSA-N 1 3 345.491 0.656 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)COc2ccccc2)CC1 ZINC000579344815 439000345 /nfs/dbraw/zinc/00/03/45/439000345.db2.gz NOWZPULVTRLTCA-KRWDZBQOSA-N 1 3 349.475 0.959 20 0 ECADHO C[C@@H]1C[C@@H](NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@@H+]1C ZINC000518518624 439002401 /nfs/dbraw/zinc/00/24/01/439002401.db2.gz DIYNNFHTEBWLBT-HZSPNIEDSA-N 1 3 331.416 0.716 20 0 ECADHO C[C@@H]1C[C@@H](NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC000518518624 439002408 /nfs/dbraw/zinc/00/24/08/439002408.db2.gz DIYNNFHTEBWLBT-HZSPNIEDSA-N 1 3 331.416 0.716 20 0 ECADHO COC(=O)c1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)o1 ZINC000597159542 439052176 /nfs/dbraw/zinc/05/21/76/439052176.db2.gz NRUSUAOLXVQPFV-UHFFFAOYSA-N 1 3 325.409 0.940 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000459996636 439052970 /nfs/dbraw/zinc/05/29/70/439052970.db2.gz QPXCNKCULDJLEY-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000459996636 439052972 /nfs/dbraw/zinc/05/29/72/439052972.db2.gz QPXCNKCULDJLEY-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C)C(=O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566450885 439054820 /nfs/dbraw/zinc/05/48/20/439054820.db2.gz LTQMYQFUTFKSPR-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000579607483 439024572 /nfs/dbraw/zinc/02/45/72/439024572.db2.gz LQHZCIPQRSZRBE-QKPAOTATSA-N 1 3 334.464 0.140 20 0 ECADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCNCC1 ZINC000566214878 439027179 /nfs/dbraw/zinc/02/71/79/439027179.db2.gz HHGIGOAAVVUSJM-UHFFFAOYSA-N 1 3 329.470 0.046 20 0 ECADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000566213035 439027248 /nfs/dbraw/zinc/02/72/48/439027248.db2.gz IUAUHXYBZPRTQN-BFYDXBDKSA-N 1 3 325.453 0.500 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000459901560 439028774 /nfs/dbraw/zinc/02/87/74/439028774.db2.gz JRAIMAPFEMBWQF-UHFFFAOYSA-N 1 3 340.512 0.975 20 0 ECADHO C[C@H](CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C1CC[NH2+]CC1 ZINC000579711570 439031802 /nfs/dbraw/zinc/03/18/02/439031802.db2.gz GDWLJIGWTCLHGB-CJNGLKHVSA-N 1 3 334.468 0.926 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN[C@@H](C)[C@H]2C)CC1 ZINC000566507682 439066438 /nfs/dbraw/zinc/06/64/38/439066438.db2.gz LFMVLOVJHFCULL-UONOGXRCSA-N 1 3 339.484 0.369 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC1 ZINC000580182035 439069593 /nfs/dbraw/zinc/06/95/93/439069593.db2.gz SOPFTAPFLBQTIB-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000460078837 439074744 /nfs/dbraw/zinc/07/47/44/439074744.db2.gz IDCPAVGBQDSTNZ-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000460079728 439075348 /nfs/dbraw/zinc/07/53/48/439075348.db2.gz JPTNLQSQLBZSFO-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000567146326 439117906 /nfs/dbraw/zinc/11/79/06/439117906.db2.gz FOCKCZALWBZNOC-INIZCTEOSA-N 1 3 349.479 0.411 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580291256 439077151 /nfs/dbraw/zinc/07/71/51/439077151.db2.gz DAVXIHRCFGIIIS-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000580291256 439077156 /nfs/dbraw/zinc/07/71/56/439077156.db2.gz DAVXIHRCFGIIIS-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000580302519 439078280 /nfs/dbraw/zinc/07/82/80/439078280.db2.gz YLOJPJQWLKAMSV-PVAVHDDUSA-N 1 3 348.491 0.672 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000566667846 439079950 /nfs/dbraw/zinc/07/99/50/439079950.db2.gz MUVOLGBXJURQOH-HOTGVXAUSA-N 1 3 349.483 0.958 20 0 ECADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000566667846 439079953 /nfs/dbraw/zinc/07/99/53/439079953.db2.gz MUVOLGBXJURQOH-HOTGVXAUSA-N 1 3 349.483 0.958 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000580310505 439080428 /nfs/dbraw/zinc/08/04/28/439080428.db2.gz XQYGTUIAWBKIPH-SFHVURJKSA-N 1 3 345.491 0.462 20 0 ECADHO CO[C@@H]1CN(CCCCC[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488021123 439171928 /nfs/dbraw/zinc/17/19/28/439171928.db2.gz CRXZUZIBIGCWON-VQHPVUNQSA-N 1 3 330.469 0.848 20 0 ECADHO CO[C@@H]1CN(CCCCC[N@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488021123 439171933 /nfs/dbraw/zinc/17/19/33/439171933.db2.gz CRXZUZIBIGCWON-VQHPVUNQSA-N 1 3 330.469 0.848 20 0 ECADHO CO[C@@H]1C[NH+](CCCCCN2C[C@@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488021123 439171938 /nfs/dbraw/zinc/17/19/38/439171938.db2.gz CRXZUZIBIGCWON-VQHPVUNQSA-N 1 3 330.469 0.848 20 0 ECADHO CCN1CCN(CCCNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000521458809 439120020 /nfs/dbraw/zinc/12/00/20/439120020.db2.gz MDIVMEHBMLTZFF-UHFFFAOYSA-N 1 3 336.484 0.202 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567180690 439120187 /nfs/dbraw/zinc/12/01/87/439120187.db2.gz QYCMPBQVAGGEOQ-QLFBSQMISA-N 1 3 337.468 0.060 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567180690 439120194 /nfs/dbraw/zinc/12/01/94/439120194.db2.gz QYCMPBQVAGGEOQ-QLFBSQMISA-N 1 3 337.468 0.060 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000567266906 439128747 /nfs/dbraw/zinc/12/87/47/439128747.db2.gz MYGLMSUJVJZTTA-KBPBESRZSA-N 1 3 327.473 0.308 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000580772695 439129854 /nfs/dbraw/zinc/12/98/54/439129854.db2.gz QKDGVIOHOAMOCJ-LSDHHAIUSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000567623633 439158420 /nfs/dbraw/zinc/15/84/20/439158420.db2.gz YSPBISRXAKZNDE-HZPDHXFCSA-N 1 3 331.464 0.932 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000567623631 439159288 /nfs/dbraw/zinc/15/92/88/439159288.db2.gz YSPBISRXAKZNDE-CVEARBPZSA-N 1 3 331.464 0.932 20 0 ECADHO COC(=O)c1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn1C ZINC000525890431 439224346 /nfs/dbraw/zinc/22/43/46/439224346.db2.gz XXXODATYMUCKOL-UHFFFAOYSA-N 1 3 339.440 0.769 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000567880631 439192020 /nfs/dbraw/zinc/19/20/20/439192020.db2.gz KLUVNZGRRPWZRD-YOEHRIQHSA-N 1 3 346.475 0.918 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000567880631 439192022 /nfs/dbraw/zinc/19/20/22/439192022.db2.gz KLUVNZGRRPWZRD-YOEHRIQHSA-N 1 3 346.475 0.918 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000568117828 439214909 /nfs/dbraw/zinc/21/49/09/439214909.db2.gz OEJHBOGDYHKPIF-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000568117827 439215230 /nfs/dbraw/zinc/21/52/30/439215230.db2.gz OEJHBOGDYHKPIF-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC[NH2+]1 ZINC000568236050 439229428 /nfs/dbraw/zinc/22/94/28/439229428.db2.gz YFAMYJROFWOQPF-LSDHHAIUSA-N 1 3 336.480 0.720 20 0 ECADHO COC(=O)CCN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C[C@@H]1C ZINC000592566778 439255428 /nfs/dbraw/zinc/25/54/28/439255428.db2.gz XMCSMWLWJMKFQV-STQMWFEESA-N 1 3 349.435 0.196 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000568610199 439261783 /nfs/dbraw/zinc/26/17/83/439261783.db2.gz UOYVJWNZBPKFKY-HOTGVXAUSA-N 1 3 338.496 0.955 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC(=O)N2CCOC3(CNC3)C2)c1 ZINC000582290138 439315194 /nfs/dbraw/zinc/31/51/94/439315194.db2.gz LTENOYVGXCRSDN-UHFFFAOYSA-N 1 3 348.447 0.511 20 0 ECADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)C1 ZINC000604656282 439325702 /nfs/dbraw/zinc/32/57/02/439325702.db2.gz LCWDPGMLJNKVOL-NVXWUHKLSA-N 1 3 335.496 0.645 20 0 ECADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)C1 ZINC000604656282 439325710 /nfs/dbraw/zinc/32/57/10/439325710.db2.gz LCWDPGMLJNKVOL-NVXWUHKLSA-N 1 3 335.496 0.645 20 0 ECADHO CN1CCN(C[C@H](O)CNCC2([NH+](C)C)CCCCCC2)CC1 ZINC000569436372 439333583 /nfs/dbraw/zinc/33/35/83/439333583.db2.gz SZWXNSUQTPBCCF-QGZVFWFLSA-N 1 3 326.529 0.839 20 0 ECADHO CN(C)C1(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)CCCCCC1 ZINC000569436372 439333586 /nfs/dbraw/zinc/33/35/86/439333586.db2.gz SZWXNSUQTPBCCF-QGZVFWFLSA-N 1 3 326.529 0.839 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H](C[NH3+])c3ccccc3)C2)nn1 ZINC000569102460 439305106 /nfs/dbraw/zinc/30/51/06/439305106.db2.gz QGLMKGMLVAFNCG-HZPDHXFCSA-N 1 3 328.420 0.643 20 0 ECADHO COC(=O)c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000593259212 439357688 /nfs/dbraw/zinc/35/76/88/439357688.db2.gz BRNXHOLSODACJA-UHFFFAOYSA-N 1 3 337.424 0.825 20 0 ECADHO CN1CCN(C[C@@H](O)CNCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000582720296 439371011 /nfs/dbraw/zinc/37/10/11/439371011.db2.gz IKDYPURGOGPEDL-FQEVSTJZSA-N 1 3 346.519 0.980 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000529354760 439411859 /nfs/dbraw/zinc/41/18/59/439411859.db2.gz BNKVHJHMASMNED-CVEARBPZSA-N 1 3 335.496 0.692 20 0 ECADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000570426569 439419565 /nfs/dbraw/zinc/41/95/65/439419565.db2.gz HROOVPFBUZYLNE-OAHLLOKOSA-N 1 3 336.480 0.722 20 0 ECADHO CN1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)[C@H](CN)C1 ZINC000583252045 439438967 /nfs/dbraw/zinc/43/89/67/439438967.db2.gz FHSXXQKYVUQAJB-CVEARBPZSA-N 1 3 325.501 0.781 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000570298424 439409311 /nfs/dbraw/zinc/40/93/11/439409311.db2.gz ZMUMHCVVOGQLJU-GVDBMIGSSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000570298424 439409315 /nfs/dbraw/zinc/40/93/15/439409315.db2.gz ZMUMHCVVOGQLJU-GVDBMIGSSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CCN1Cc1ccccc1 ZINC000583430518 439462438 /nfs/dbraw/zinc/46/24/38/439462438.db2.gz DVMKPHNHJJYIMT-NJAFHUGGSA-N 1 3 345.491 0.852 20 0 ECADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CCN1Cc1ccccc1 ZINC000583430516 439462669 /nfs/dbraw/zinc/46/26/69/439462669.db2.gz DVMKPHNHJJYIMT-BPQIPLTHSA-N 1 3 345.491 0.852 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)/C=C\C[NH+](C)C)cc1 ZINC000491881924 439468418 /nfs/dbraw/zinc/46/84/18/439468418.db2.gz IBMHLCSAEWKJRQ-WAYWQWQTSA-N 1 3 332.448 0.712 20 0 ECADHO COC(=O)C1CCN(C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000571047221 439471412 /nfs/dbraw/zinc/47/14/12/439471412.db2.gz LSKZMDINUKSTGL-HZPDHXFCSA-N 1 3 337.464 0.720 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000593907690 439491745 /nfs/dbraw/zinc/49/17/45/439491745.db2.gz ROPMZUGFCMVBMB-JKSUJKDBSA-N 1 3 337.464 0.908 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)/C=C/c1cccnc1 ZINC000492084534 439493265 /nfs/dbraw/zinc/49/32/65/439493265.db2.gz MUGPVQPKJVELJX-BQYQJAHWSA-N 1 3 347.463 0.163 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000584103390 439548746 /nfs/dbraw/zinc/54/87/46/439548746.db2.gz XFMHQEUDKHSYFI-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CCOC1CC(CNC[C@H](O)C[N@H+](C)C2CC2)(N2CCOCC2)C1 ZINC000584168495 439556979 /nfs/dbraw/zinc/55/69/79/439556979.db2.gz LYGZDDBEROJKKB-AOCRQIFASA-N 1 3 341.496 0.301 20 0 ECADHO CCOC1CC(CNC[C@H](O)C[N@@H+](C)C2CC2)(N2CCOCC2)C1 ZINC000584168495 439556984 /nfs/dbraw/zinc/55/69/84/439556984.db2.gz LYGZDDBEROJKKB-AOCRQIFASA-N 1 3 341.496 0.301 20 0 ECADHO N[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)C[C@H]1c1cccc(F)c1 ZINC000572157106 439561160 /nfs/dbraw/zinc/56/11/60/439561160.db2.gz CVPWSGXVIZCLTF-UONOGXRCSA-N 1 3 332.383 0.333 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000572630228 439598950 /nfs/dbraw/zinc/59/89/50/439598950.db2.gz ISPWGXDJDWKRQR-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000572630228 439598955 /nfs/dbraw/zinc/59/89/55/439598955.db2.gz ISPWGXDJDWKRQR-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000584541713 439600255 /nfs/dbraw/zinc/60/02/55/439600255.db2.gz VTYXFDMTBGFIGA-RDJZCZTQSA-N 1 3 346.475 0.473 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000573831141 439670377 /nfs/dbraw/zinc/67/03/77/439670377.db2.gz SURLSLIJGKYHIG-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)S1 ZINC000573067514 439625530 /nfs/dbraw/zinc/62/55/30/439625530.db2.gz LLEZGAIITXRWBH-OKILXGFUSA-N 1 3 344.525 0.291 20 0 ECADHO O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000574381686 439700862 /nfs/dbraw/zinc/70/08/62/439700862.db2.gz BSNJDNBHQJSMBJ-HNNXBMFYSA-N 1 3 342.443 0.968 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000611641361 439715124 /nfs/dbraw/zinc/71/51/24/439715124.db2.gz QYOOINADWWUMAH-YCPHGPKFSA-N 1 3 336.480 0.671 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000611641361 439715125 /nfs/dbraw/zinc/71/51/25/439715125.db2.gz QYOOINADWWUMAH-YCPHGPKFSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1CC2(CN1C(=O)C(=O)N1C[C@@H]3CCN(C)[C@@H]3C1)CC[NH2+]CC2 ZINC000574192223 439688162 /nfs/dbraw/zinc/68/81/62/439688162.db2.gz VYADVXWLWAKYGQ-QLFBSQMISA-N 1 3 334.464 0.140 20 0 ECADHO CCN(C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[C@H]1CCN(CC)C1 ZINC000611758577 439727432 /nfs/dbraw/zinc/72/74/32/439727432.db2.gz KYFIUQZCMKAFJW-ZBFHGGJFSA-N 1 3 336.480 0.696 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662759486 439877534 /nfs/dbraw/zinc/87/75/34/439877534.db2.gz YDHNYVOGSUAFMT-ZIAGYGMSSA-N 1 3 334.468 0.242 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662756472 439879572 /nfs/dbraw/zinc/87/95/72/439879572.db2.gz IBDTWGZXYCPZKV-MSOLQXFVSA-N 1 3 346.475 0.414 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662685314 439846869 /nfs/dbraw/zinc/84/68/69/439846869.db2.gz BGIFUMMKTFCWCS-HOTGVXAUSA-N 1 3 346.431 0.544 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cn1 ZINC000631801703 439928462 /nfs/dbraw/zinc/92/84/62/439928462.db2.gz POCBKVCYOLDACH-MRXNPFEDSA-N 1 3 335.452 0.428 20 0 ECADHO C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@@H]1CCC[NH3+] ZINC000662892577 439928559 /nfs/dbraw/zinc/92/85/59/439928559.db2.gz FEVKMGCNQHCLEF-OWCLPIDISA-N 1 3 338.496 0.763 20 0 ECADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000636475655 439893953 /nfs/dbraw/zinc/89/39/53/439893953.db2.gz ZLEPKSSMTREZCV-SJORKVTESA-N 1 3 332.448 0.627 20 0 ECADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000636475655 439893961 /nfs/dbraw/zinc/89/39/61/439893961.db2.gz ZLEPKSSMTREZCV-SJORKVTESA-N 1 3 332.448 0.627 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1nc(C2CC2)nn1C ZINC000617502727 439900386 /nfs/dbraw/zinc/90/03/86/439900386.db2.gz ZVILKOFIYXFDPY-ZDUSSCGKSA-N 1 3 336.484 0.623 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1nc(C2CC2)nn1C ZINC000617502727 439900392 /nfs/dbraw/zinc/90/03/92/439900392.db2.gz ZVILKOFIYXFDPY-ZDUSSCGKSA-N 1 3 336.484 0.623 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCC(=O)N1CCOCC1 ZINC000617503511 439900535 /nfs/dbraw/zinc/90/05/35/439900535.db2.gz MMIYLHMBZRSNEC-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCC(=O)N1CCOCC1 ZINC000617503511 439900541 /nfs/dbraw/zinc/90/05/41/439900541.db2.gz MMIYLHMBZRSNEC-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)c3cccc4c3CC[NH2+]C4)C2)nn1 ZINC000662817005 439903662 /nfs/dbraw/zinc/90/36/62/439903662.db2.gz ZDWFHGRTWDTCOP-OAHLLOKOSA-N 1 3 340.431 0.860 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000652678028 439914110 /nfs/dbraw/zinc/91/41/10/439914110.db2.gz PZDOSOGWIDRPAS-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(COC1CC[NH2+]CC1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858381 439915620 /nfs/dbraw/zinc/91/56/20/439915620.db2.gz GTIWYOKUPPVPEH-QGZVFWFLSA-N 1 3 347.459 0.638 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000652682385 439917703 /nfs/dbraw/zinc/91/77/03/439917703.db2.gz JIOGZIGBYWFIAJ-OAHLLOKOSA-N 1 3 346.475 0.870 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642330455 439972388 /nfs/dbraw/zinc/97/23/88/439972388.db2.gz LIRWPWGIMPILCT-QLFBSQMISA-N 1 3 338.496 0.809 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626986129 439980652 /nfs/dbraw/zinc/98/06/52/439980652.db2.gz APCBUEJIDKEFRV-HNNXBMFYSA-N 1 3 341.500 0.067 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)C1CC1 ZINC000636658818 439980930 /nfs/dbraw/zinc/98/09/30/439980930.db2.gz VJJQEZBMXIWKBA-MRXNPFEDSA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)C1CC1 ZINC000636658818 439980937 /nfs/dbraw/zinc/98/09/37/439980937.db2.gz VJJQEZBMXIWKBA-MRXNPFEDSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000642439457 439981311 /nfs/dbraw/zinc/98/13/11/439981311.db2.gz HPCMLOTZCQJUSY-CVEARBPZSA-N 1 3 332.448 0.793 20 0 ECADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662914475 439938858 /nfs/dbraw/zinc/93/88/58/439938858.db2.gz AMOWDQKZZJEFIU-GXTWGEPZSA-N 1 3 335.370 0.898 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652719479 439941986 /nfs/dbraw/zinc/94/19/86/439941986.db2.gz CCIDDBCMNVLZDH-MRXNPFEDSA-N 1 3 332.448 0.623 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000626896477 439947465 /nfs/dbraw/zinc/94/74/65/439947465.db2.gz VMHCPLRDLWTEGX-UHFFFAOYSA-N 1 3 336.436 0.429 20 0 ECADHO C[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)N1CCc2ccccc2C1 ZINC000636587859 439947976 /nfs/dbraw/zinc/94/79/76/439947976.db2.gz NQXOENJKMUEZCT-QAPCUYQASA-N 1 3 346.475 0.799 20 0 ECADHO C[C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)N1CCc2ccccc2C1 ZINC000636587859 439947980 /nfs/dbraw/zinc/94/79/80/439947980.db2.gz NQXOENJKMUEZCT-QAPCUYQASA-N 1 3 346.475 0.799 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c(OCCN(C)C)c1 ZINC000626910473 439952011 /nfs/dbraw/zinc/95/20/11/439952011.db2.gz RVVPRSLVWADWBN-UONOGXRCSA-N 1 3 348.447 0.741 20 0 ECADHO CN(C)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)Cc1ccccc1 ZINC000626921743 439959735 /nfs/dbraw/zinc/95/97/35/439959735.db2.gz HWSHCTJNLIFZEU-INIZCTEOSA-N 1 3 334.464 0.966 20 0 ECADHO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014349 439990150 /nfs/dbraw/zinc/99/01/50/439990150.db2.gz LFNIULMYNCPPSM-GJZGRUSLSA-N 1 3 346.479 0.667 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019531 439991853 /nfs/dbraw/zinc/99/18/53/439991853.db2.gz SXZNWXIJUGOMMX-HNNXBMFYSA-N 1 3 348.495 0.867 20 0 ECADHO C[C@H]1CN(CCCNC(=O)NCC2([NH3+])CCOCC2)CCCO1 ZINC000627020408 439991858 /nfs/dbraw/zinc/99/18/58/439991858.db2.gz IAQVTMJSELVZHI-AWEZNQCLSA-N 1 3 328.457 0.294 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642684655 440005358 /nfs/dbraw/zinc/00/53/58/440005358.db2.gz BYNHAKKSEJEWFG-CQSZACIVSA-N 1 3 332.448 0.539 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000631949117 440005820 /nfs/dbraw/zinc/00/58/20/440005820.db2.gz XYGCQSPPLIXLLB-RBSFLKMASA-N 1 3 333.498 0.629 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627130150 440015468 /nfs/dbraw/zinc/01/54/68/440015468.db2.gz KFBAZJCHKGHPCD-HNNXBMFYSA-N 1 3 337.512 0.986 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C1CC[NH+](C)CC1 ZINC000642724344 440017316 /nfs/dbraw/zinc/01/73/16/440017316.db2.gz DYIVZWHDMRLPQU-SGMGOOAPSA-N 1 3 340.468 0.062 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000642540814 439988212 /nfs/dbraw/zinc/98/82/12/439988212.db2.gz OTRVJSKOXITOQB-STQMWFEESA-N 1 3 338.477 0.540 20 0 ECADHO C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663015498 439988688 /nfs/dbraw/zinc/98/86/88/439988688.db2.gz OGDGHLMCGFPGJO-KBPBESRZSA-N 1 3 334.468 0.381 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000627241808 440062797 /nfs/dbraw/zinc/06/27/97/440062797.db2.gz JUJXVUKDYWPLDM-JKSUJKDBSA-N 1 3 337.512 0.796 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000632071227 440066765 /nfs/dbraw/zinc/06/67/65/440066765.db2.gz UOKWLYNSNVDFQN-UHFFFAOYSA-N 1 3 335.514 0.701 20 0 ECADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642956707 440070098 /nfs/dbraw/zinc/07/00/98/440070098.db2.gz PWBYVVZEHICDOM-GDBMZVCRSA-N 1 3 345.447 0.364 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636870838 440074509 /nfs/dbraw/zinc/07/45/09/440074509.db2.gz DFMCJGAZJKNXMU-XYPHTWIQSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000636870838 440074517 /nfs/dbraw/zinc/07/45/17/440074517.db2.gz DFMCJGAZJKNXMU-XYPHTWIQSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636870836 440074607 /nfs/dbraw/zinc/07/46/07/440074607.db2.gz DFMCJGAZJKNXMU-KBRIMQKVSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000636870836 440074615 /nfs/dbraw/zinc/07/46/15/440074615.db2.gz DFMCJGAZJKNXMU-KBRIMQKVSA-N 1 3 348.491 0.718 20 0 ECADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643006526 440079374 /nfs/dbraw/zinc/07/93/74/440079374.db2.gz OQIAWCNGLBXDRM-HUUCEWRRSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653151882 440081006 /nfs/dbraw/zinc/08/10/06/440081006.db2.gz WMCIKVKQWREAMR-RMRDIRSESA-N 1 3 329.444 0.859 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000636797970 440041177 /nfs/dbraw/zinc/04/11/77/440041177.db2.gz FBHFBFWEYOSNFV-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)N2CCC(CN3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627204659 440042559 /nfs/dbraw/zinc/04/25/59/440042559.db2.gz YKLUEIPPJURHNW-NVXWUHKLSA-N 1 3 337.512 0.796 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642809744 440047923 /nfs/dbraw/zinc/04/79/23/440047923.db2.gz CUQPTKWNVOQMSQ-ZNMIVQPWSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@@H]1N1CCN(C)CC1 ZINC000627216019 440048295 /nfs/dbraw/zinc/04/82/95/440048295.db2.gz NNRZWTIHYPXEKF-HOTGVXAUSA-N 1 3 341.500 0.019 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CCCCC1 ZINC000642889857 440050576 /nfs/dbraw/zinc/05/05/76/440050576.db2.gz QFLMJPDGVZTANG-UHFFFAOYSA-N 1 3 345.447 0.508 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N1CCC(C)CC1 ZINC000627331695 440127138 /nfs/dbraw/zinc/12/71/38/440127138.db2.gz FSGJGBIHIKSNNT-GJZGRUSLSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000618551030 440132701 /nfs/dbraw/zinc/13/27/01/440132701.db2.gz NHSSZUSBWMHCPR-JKSUJKDBSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000618551030 440132706 /nfs/dbraw/zinc/13/27/06/440132706.db2.gz NHSSZUSBWMHCPR-JKSUJKDBSA-N 1 3 325.501 0.652 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663653369 440142071 /nfs/dbraw/zinc/14/20/71/440142071.db2.gz BGMXQJGMJQUIIY-PMPSAXMXSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663653369 440142074 /nfs/dbraw/zinc/14/20/74/440142074.db2.gz BGMXQJGMJQUIIY-PMPSAXMXSA-N 1 3 326.485 0.957 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N1CCN(C)CC1 ZINC000663562333 440103208 /nfs/dbraw/zinc/10/32/08/440103208.db2.gz ZFVUYUUWORXKAO-HOTGVXAUSA-N 1 3 327.517 0.898 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N(C)Cc1ccccc1 ZINC000627303909 440108630 /nfs/dbraw/zinc/10/86/30/440108630.db2.gz GWCTWZSXXOZNHA-BFYDXBDKSA-N 1 3 346.475 0.880 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000627309783 440112883 /nfs/dbraw/zinc/11/28/83/440112883.db2.gz ZZOWIXTVJVPPMC-UHFFFAOYSA-N 1 3 332.448 0.706 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478787 440179581 /nfs/dbraw/zinc/17/95/81/440179581.db2.gz GFQCXSQASRLKRF-LSDHHAIUSA-N 1 3 345.447 0.316 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000643513401 440193206 /nfs/dbraw/zinc/19/32/06/440193206.db2.gz OGKDVSCIUXGOMO-MRXNPFEDSA-N 1 3 334.464 0.284 20 0 ECADHO COCCN(C)CCCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663692736 440154269 /nfs/dbraw/zinc/15/42/69/440154269.db2.gz XFQDIKOZMCXQEM-INIZCTEOSA-N 1 3 342.484 0.195 20 0 ECADHO COCCN(C)CCCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663692736 440154274 /nfs/dbraw/zinc/15/42/74/440154274.db2.gz XFQDIKOZMCXQEM-INIZCTEOSA-N 1 3 342.484 0.195 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000653404380 440157227 /nfs/dbraw/zinc/15/72/27/440157227.db2.gz FCHJMBBGGYLCAC-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000653404380 440157233 /nfs/dbraw/zinc/15/72/33/440157233.db2.gz FCHJMBBGGYLCAC-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C[NH2+]1 ZINC000627476116 440229332 /nfs/dbraw/zinc/22/93/32/440229332.db2.gz BCLZBXVFALQYDI-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659077428 440229863 /nfs/dbraw/zinc/22/98/63/440229863.db2.gz DGPXLQUXJYQFNU-XJKSGUPXSA-N 1 3 348.447 0.742 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000664189923 440253706 /nfs/dbraw/zinc/25/37/06/440253706.db2.gz BLUSOYSNFDGKCG-ZNMIVQPWSA-N 1 3 341.500 0.602 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000664189923 440253709 /nfs/dbraw/zinc/25/37/09/440253709.db2.gz BLUSOYSNFDGKCG-ZNMIVQPWSA-N 1 3 341.500 0.602 20 0 ECADHO CCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCN(C)C1 ZINC000664175911 440250443 /nfs/dbraw/zinc/25/04/43/440250443.db2.gz RWPKVFQEECTYBM-CABCVRRESA-N 1 3 339.484 0.309 20 0 ECADHO CCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCN(C)C1 ZINC000664175911 440250449 /nfs/dbraw/zinc/25/04/49/440250449.db2.gz RWPKVFQEECTYBM-CABCVRRESA-N 1 3 339.484 0.309 20 0 ECADHO C[NH+](C)CCOc1cccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000653944684 440265695 /nfs/dbraw/zinc/26/56/95/440265695.db2.gz CYXYCFVJPOYFPH-JKSUJKDBSA-N 1 3 348.447 0.910 20 0 ECADHO COCCCN(C)CCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664218933 440262663 /nfs/dbraw/zinc/26/26/63/440262663.db2.gz KEVIWHMYPVEVBI-MRXNPFEDSA-N 1 3 342.484 0.195 20 0 ECADHO COCCCN(C)CCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664218933 440262667 /nfs/dbraw/zinc/26/26/67/440262667.db2.gz KEVIWHMYPVEVBI-MRXNPFEDSA-N 1 3 342.484 0.195 20 0 ECADHO CN(C)CCCS(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000632545674 440278270 /nfs/dbraw/zinc/27/82/70/440278270.db2.gz GLNGRJFUJRIORW-UHFFFAOYSA-N 1 3 347.525 0.749 20 0 ECADHO CN1CCN(CCCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654450354 440321795 /nfs/dbraw/zinc/32/17/95/440321795.db2.gz IRSBBFUCGNGKKF-IYBDPMFKSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CCN1 ZINC000637839174 440347560 /nfs/dbraw/zinc/34/75/60/440347560.db2.gz ALCHXQKAPYEZJB-GFCCVEGCSA-N 1 3 331.420 0.737 20 0 ECADHO [NH3+][C@@H](CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)C1CC1 ZINC000659527445 440356282 /nfs/dbraw/zinc/35/62/82/440356282.db2.gz LBAMOBLLWKSZLL-IRXDYDNUSA-N 1 3 332.448 0.790 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000659539169 440360340 /nfs/dbraw/zinc/36/03/40/440360340.db2.gz BHSIYPMLVHWANO-AWEZNQCLSA-N 1 3 327.473 0.165 20 0 ECADHO CN1CCN(CC2CCN(C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659574941 440365842 /nfs/dbraw/zinc/36/58/42/440365842.db2.gz RGAOOICXUZEKJX-UHFFFAOYSA-N 1 3 337.512 0.927 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659681629 440417729 /nfs/dbraw/zinc/41/77/29/440417729.db2.gz XWCPODZMBQAYHH-PQEJIFLISA-N 1 3 336.480 0.337 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659681627 440418158 /nfs/dbraw/zinc/41/81/58/440418158.db2.gz XWCPODZMBQAYHH-AXDVPUBFSA-N 1 3 336.480 0.337 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000659686987 440421391 /nfs/dbraw/zinc/42/13/91/440421391.db2.gz BEUSBFRDWRDOHZ-WBVHZDCISA-N 1 3 348.491 0.983 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000659630198 440381380 /nfs/dbraw/zinc/38/13/80/440381380.db2.gz GLKSIVOYWUNACX-AAEUAGOBSA-N 1 3 336.440 0.513 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000659630198 440381384 /nfs/dbraw/zinc/38/13/84/440381384.db2.gz GLKSIVOYWUNACX-AAEUAGOBSA-N 1 3 336.440 0.513 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)[C@H](C[NH3+])C1 ZINC000659674600 440410283 /nfs/dbraw/zinc/41/02/83/440410283.db2.gz UWXSBNLKZLFORB-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N(C)Cc1ccccc1 ZINC000659677828 440411961 /nfs/dbraw/zinc/41/19/61/440411961.db2.gz HEECZQOFUGYXFH-ICXUMSERSA-N 1 3 344.459 0.491 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000659680759 440414111 /nfs/dbraw/zinc/41/41/11/440414111.db2.gz KHNTXCMOGAEDNG-XUWVNRHRSA-N 1 3 340.512 0.959 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659724486 440461214 /nfs/dbraw/zinc/46/12/14/440461214.db2.gz OXKJWGKDGWPHQM-MRXNPFEDSA-N 1 3 348.491 0.936 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)COC)CC2)CC1 ZINC000655044520 440462602 /nfs/dbraw/zinc/46/26/02/440462602.db2.gz CXACHYUPJUCPDC-OAHLLOKOSA-N 1 3 327.469 0.306 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NCC3([NH3+])CCC3)ccc2[nH]c1=O ZINC000638161228 440470525 /nfs/dbraw/zinc/47/05/25/440470525.db2.gz AFSZGZHQGNDQEZ-UHFFFAOYSA-N 1 3 331.420 0.915 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659736223 440473628 /nfs/dbraw/zinc/47/36/28/440473628.db2.gz LTMMJIHXXKQRDF-ZBFHGGJFSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]1NCCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@H]1C ZINC000638206027 440478154 /nfs/dbraw/zinc/47/81/54/440478154.db2.gz KNRVEOHWMFACJE-ZJUUUORDSA-N 1 3 342.394 0.963 20 0 ECADHO CON1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665171965 440430135 /nfs/dbraw/zinc/43/01/35/440430135.db2.gz GZZREOGHNDBVSI-AWEZNQCLSA-N 1 3 329.489 0.583 20 0 ECADHO CON1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665171965 440430139 /nfs/dbraw/zinc/43/01/39/440430139.db2.gz GZZREOGHNDBVSI-AWEZNQCLSA-N 1 3 329.489 0.583 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659698448 440431171 /nfs/dbraw/zinc/43/11/71/440431171.db2.gz NKNGDRMWPMNPRI-VBCSKYIJSA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659698440 440431624 /nfs/dbraw/zinc/43/16/24/440431624.db2.gz NKNGDRMWPMNPRI-FLOBVVSRSA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659698440 440431628 /nfs/dbraw/zinc/43/16/28/440431628.db2.gz NKNGDRMWPMNPRI-FLOBVVSRSA-N 1 3 336.480 0.420 20 0 ECADHO CC1[C@H](C(=O)NC2CCN(C)CC2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000665509820 440479600 /nfs/dbraw/zinc/47/96/00/440479600.db2.gz WWGQKVFNXXCEMX-HOTGVXAUSA-N 1 3 336.480 0.289 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638099766 440438050 /nfs/dbraw/zinc/43/80/50/440438050.db2.gz IQBBJMBACVEVNT-IRXDYDNUSA-N 1 3 334.464 0.283 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638099766 440438052 /nfs/dbraw/zinc/43/80/52/440438052.db2.gz IQBBJMBACVEVNT-IRXDYDNUSA-N 1 3 334.464 0.283 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659706801 440442203 /nfs/dbraw/zinc/44/22/03/440442203.db2.gz QBENYXZNJLYWSZ-MRXNPFEDSA-N 1 3 338.496 0.683 20 0 ECADHO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000633103767 440445431 /nfs/dbraw/zinc/44/54/31/440445431.db2.gz VFMCDQXEPIBKCF-UHFFFAOYSA-N 1 3 336.480 0.675 20 0 ECADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000633104067 440445750 /nfs/dbraw/zinc/44/57/50/440445750.db2.gz YUEFRQMHLKBIBF-HNNXBMFYSA-N 1 3 336.480 0.803 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000665292303 440446726 /nfs/dbraw/zinc/44/67/26/440446726.db2.gz YMAUFNRHTGDNTI-ZFWWWQNUSA-N 1 3 337.468 0.868 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000665292303 440446731 /nfs/dbraw/zinc/44/67/31/440446731.db2.gz YMAUFNRHTGDNTI-ZFWWWQNUSA-N 1 3 337.468 0.868 20 0 ECADHO COc1cccc([C@@H](N)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000638118374 440449324 /nfs/dbraw/zinc/44/93/24/440449324.db2.gz YTGKYJLKVDLAQF-CRAIPNDOSA-N 1 3 346.475 0.980 20 0 ECADHO COc1cccc([C@@H](N)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000638118374 440449329 /nfs/dbraw/zinc/44/93/29/440449329.db2.gz YTGKYJLKVDLAQF-CRAIPNDOSA-N 1 3 346.475 0.980 20 0 ECADHO COc1cccc([C@@H](N)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638118374 440449333 /nfs/dbraw/zinc/44/93/33/440449333.db2.gz YTGKYJLKVDLAQF-CRAIPNDOSA-N 1 3 346.475 0.980 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)CC1 ZINC000638136824 440457556 /nfs/dbraw/zinc/45/75/56/440457556.db2.gz NDCOSPKOMJROHB-DLBZAZTESA-N 1 3 332.448 0.166 20 0 ECADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659722449 440459100 /nfs/dbraw/zinc/45/91/00/440459100.db2.gz FHAVPHZBJFAUNG-QLFBSQMISA-N 1 3 336.480 0.753 20 0 ECADHO COC[C@]1(CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000638231114 440485035 /nfs/dbraw/zinc/48/50/35/440485035.db2.gz NKMYWAIOEIUVSE-FUHWJXTLSA-N 1 3 334.464 0.331 20 0 ECADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc21 ZINC000638247639 440486575 /nfs/dbraw/zinc/48/65/75/440486575.db2.gz JXTDTGOSHLMZHZ-STQMWFEESA-N 1 3 349.410 0.733 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000638249785 440488468 /nfs/dbraw/zinc/48/84/68/440488468.db2.gz VIPFCARKQULCKF-IKGGRYGDSA-N 1 3 337.512 0.925 20 0 ECADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638313811 440507744 /nfs/dbraw/zinc/50/77/44/440507744.db2.gz DMTKSWRMEKTBPO-GOSISDBHSA-N 1 3 346.475 0.854 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638328729 440515072 /nfs/dbraw/zinc/51/50/72/440515072.db2.gz KGCJOHWNVHWUJD-DLBZAZTESA-N 1 3 341.496 0.962 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000659855822 440516341 /nfs/dbraw/zinc/51/63/41/440516341.db2.gz MHLMKIRKMUBSHI-XHSDSOJGSA-N 1 3 329.485 0.551 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000659855822 440516345 /nfs/dbraw/zinc/51/63/45/440516345.db2.gz MHLMKIRKMUBSHI-XHSDSOJGSA-N 1 3 329.485 0.551 20 0 ECADHO CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665757255 440520625 /nfs/dbraw/zinc/52/06/25/440520625.db2.gz DFBSCOAKPIXHFG-GJZGRUSLSA-N 1 3 341.500 0.424 20 0 ECADHO CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665757255 440520642 /nfs/dbraw/zinc/52/06/42/440520642.db2.gz DFBSCOAKPIXHFG-GJZGRUSLSA-N 1 3 341.500 0.424 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000665763766 440529097 /nfs/dbraw/zinc/52/90/97/440529097.db2.gz LFZROFGJCUPKRX-YQQAZPJKSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000665763766 440529103 /nfs/dbraw/zinc/52/91/03/440529103.db2.gz LFZROFGJCUPKRX-YQQAZPJKSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000665764147 440529258 /nfs/dbraw/zinc/52/92/58/440529258.db2.gz WBRBVVRLAGJJJW-SOUVJXGZSA-N 1 3 330.473 0.050 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000665764147 440529262 /nfs/dbraw/zinc/52/92/62/440529262.db2.gz WBRBVVRLAGJJJW-SOUVJXGZSA-N 1 3 330.473 0.050 20 0 ECADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CN2CCNCC2)cc1 ZINC000638413461 440530635 /nfs/dbraw/zinc/53/06/35/440530635.db2.gz XLJWXHGQMPNJAK-ROUUACIJSA-N 1 3 346.475 0.552 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000638527633 440562411 /nfs/dbraw/zinc/56/24/11/440562411.db2.gz WLLUBLYQMLSYCI-MAUKXSAKSA-N 1 3 348.447 0.684 20 0 ECADHO [NH3+]C1(CNC(=O)CCN2CCN(c3ccccc3)CC2)CCOCC1 ZINC000638540014 440565217 /nfs/dbraw/zinc/56/52/17/440565217.db2.gz WZVHDSCIZMCXHG-UHFFFAOYSA-N 1 3 346.475 0.823 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000638571321 440569452 /nfs/dbraw/zinc/56/94/52/440569452.db2.gz JCDBJHFLJQAWOP-XUWVNRHRSA-N 1 3 336.480 0.576 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](N)CCC(C)C)CC1 ZINC000638429673 440536151 /nfs/dbraw/zinc/53/61/51/440536151.db2.gz MVUDNWCRTPZAST-OAHLLOKOSA-N 1 3 326.485 0.857 20 0 ECADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000633693982 440543348 /nfs/dbraw/zinc/54/33/48/440543348.db2.gz LQAQCBUHLNYXGT-CAOSSQGBSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000633693982 440543353 /nfs/dbraw/zinc/54/33/53/440543353.db2.gz LQAQCBUHLNYXGT-CAOSSQGBSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000638790871 440624043 /nfs/dbraw/zinc/62/40/43/440624043.db2.gz ATUCCXNPCROZDY-QGZVFWFLSA-N 1 3 349.479 0.675 20 0 ECADHO O=C(CNC(=O)NC[C@H]1CCCC[NH2+]1)NCCN1CCCCCC1 ZINC000634298448 440637864 /nfs/dbraw/zinc/63/78/64/440637864.db2.gz SKCSFVDGHQMAIQ-OAHLLOKOSA-N 1 3 339.484 0.420 20 0 ECADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655909930 440639295 /nfs/dbraw/zinc/63/92/95/440639295.db2.gz QPAGBIIFUXAFQO-QWHCGFSZSA-N 1 3 334.395 0.754 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[N@H+](C)C1CC1 ZINC000656308417 440760074 /nfs/dbraw/zinc/76/00/74/440760074.db2.gz AFONHDNFEBPVQQ-FVQBIDKESA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[N@@H+](C)C1CC1 ZINC000656308417 440760078 /nfs/dbraw/zinc/76/00/78/440760078.db2.gz AFONHDNFEBPVQQ-FVQBIDKESA-N 1 3 336.480 0.718 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656343145 440781102 /nfs/dbraw/zinc/78/11/02/440781102.db2.gz LJTPMUGMXREVEX-QKPAOTATSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000645314420 440782374 /nfs/dbraw/zinc/78/23/74/440782374.db2.gz WVCFNDZOWBYIDA-KBPBESRZSA-N 1 3 337.468 0.398 20 0 ECADHO C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000645314420 440782377 /nfs/dbraw/zinc/78/23/77/440782377.db2.gz WVCFNDZOWBYIDA-KBPBESRZSA-N 1 3 337.468 0.398 20 0 ECADHO C[NH+]1CCC2(CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000639758331 440784953 /nfs/dbraw/zinc/78/49/53/440784953.db2.gz UDRYCYZQISSBBV-UHFFFAOYSA-N 1 3 348.491 0.485 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661516470 440870390 /nfs/dbraw/zinc/87/03/90/440870390.db2.gz ZRMXOSSEIWEKDZ-KBPBESRZSA-N 1 3 339.484 0.621 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661516470 440870395 /nfs/dbraw/zinc/87/03/95/440870395.db2.gz ZRMXOSSEIWEKDZ-KBPBESRZSA-N 1 3 339.484 0.621 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C2)C1 ZINC000661988518 440950234 /nfs/dbraw/zinc/95/02/34/440950234.db2.gz YBFJHGDMMXEFLW-SJLPKXTDSA-N 1 3 336.480 0.977 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C2)C1 ZINC000661988518 440950241 /nfs/dbraw/zinc/95/02/41/440950241.db2.gz YBFJHGDMMXEFLW-SJLPKXTDSA-N 1 3 336.480 0.977 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635703640 440956262 /nfs/dbraw/zinc/95/62/62/440956262.db2.gz MSAMFRKSFJSPHI-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635703640 440956268 /nfs/dbraw/zinc/95/62/68/440956268.db2.gz MSAMFRKSFJSPHI-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCO[C@@H]2CC2(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000662266446 440999829 /nfs/dbraw/zinc/99/98/29/440999829.db2.gz ZGJSADRUPKFHTC-MELADBBJSA-N 1 3 331.407 0.991 20 0 ECADHO CN(C[C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1)S(C)(=O)=O ZINC000662283158 441002368 /nfs/dbraw/zinc/00/23/68/441002368.db2.gz RIVPGPDNWIALFQ-ZIAGYGMSSA-N 1 3 331.482 0.111 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NCc3cn(C[C@@H]4CCOC4)nn3)C2)CC1 ZINC000631070310 441006082 /nfs/dbraw/zinc/00/60/82/441006082.db2.gz UCSPFLVOLMNXOS-JKSUJKDBSA-N 1 3 348.495 0.573 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NCc3cn(C[C@@H]4CCOC4)nn3)C2)CC1 ZINC000631070310 441006087 /nfs/dbraw/zinc/00/60/87/441006087.db2.gz UCSPFLVOLMNXOS-JKSUJKDBSA-N 1 3 348.495 0.573 20 0 ECADHO c1ncn(CCN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662337880 441017915 /nfs/dbraw/zinc/01/79/15/441017915.db2.gz NCQJKCQVCPACBD-CQSZACIVSA-N 1 3 330.440 0.290 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652158535 441022308 /nfs/dbraw/zinc/02/23/08/441022308.db2.gz DRPSGZNABTVSQX-MRXNPFEDSA-N 1 3 339.528 0.949 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000631184939 441023087 /nfs/dbraw/zinc/02/30/87/441023087.db2.gz RPLGMIONRIZZNS-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000631184939 441023093 /nfs/dbraw/zinc/02/30/93/441023093.db2.gz RPLGMIONRIZZNS-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641026266 441045397 /nfs/dbraw/zinc/04/53/97/441045397.db2.gz OZAUKWNNAPQKGE-GJZGRUSLSA-N 1 3 337.468 0.077 20 0 ECADHO CC(C)OC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000662477258 441052004 /nfs/dbraw/zinc/05/20/04/441052004.db2.gz KSTUPPIFPSTATO-INIZCTEOSA-N 1 3 340.512 0.805 20 0 ECADHO [NH3+]CCOCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000646433566 441062798 /nfs/dbraw/zinc/06/27/98/441062798.db2.gz HVPHDPCTSGQNJI-UHFFFAOYSA-N 1 3 348.447 0.104 20 0 ECADHO C[N@H+](C[C@H](O)Cn1cc(COc2ccccc2CN)nn1)C1CC1 ZINC000641221736 441078675 /nfs/dbraw/zinc/07/86/75/441078675.db2.gz IIJJUKVANKLMNU-INIZCTEOSA-N 1 3 331.420 0.771 20 0 ECADHO C[N@@H+](C[C@H](O)Cn1cc(COc2ccccc2CN)nn1)C1CC1 ZINC000641221736 441078680 /nfs/dbraw/zinc/07/86/80/441078680.db2.gz IIJJUKVANKLMNU-INIZCTEOSA-N 1 3 331.420 0.771 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000332541019 320904354 /nfs/dbraw/zinc/90/43/54/320904354.db2.gz KWBPKMUQBVRJHC-MRXNPFEDSA-N 1 3 336.480 0.803 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340204423 321021568 /nfs/dbraw/zinc/02/15/68/321021568.db2.gz UQFLOCADHOSKHE-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340204423 321021570 /nfs/dbraw/zinc/02/15/70/321021570.db2.gz UQFLOCADHOSKHE-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000340260625 321031403 /nfs/dbraw/zinc/03/14/03/321031403.db2.gz FGPWXQPBOUGQFD-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CCCN2CC)CC1 ZINC000343021436 321117633 /nfs/dbraw/zinc/11/76/33/321117633.db2.gz ANEQKHDJROWBLR-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCN1C ZINC000347974933 321261302 /nfs/dbraw/zinc/26/13/02/321261302.db2.gz WPCIWLRZWNPMCT-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCN1C ZINC000347974933 321261304 /nfs/dbraw/zinc/26/13/04/321261304.db2.gz WPCIWLRZWNPMCT-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000348765154 321286935 /nfs/dbraw/zinc/28/69/35/321286935.db2.gz QVXUUJODTQXNNU-AWEZNQCLSA-N 1 3 336.480 0.742 20 0 ECADHO CC(C)c1ccc([C@@H](N)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000351520924 321335399 /nfs/dbraw/zinc/33/53/99/321335399.db2.gz IJUGTGHINVTRLW-HOTGVXAUSA-N 1 3 332.448 0.794 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000354114711 321444206 /nfs/dbraw/zinc/44/42/06/321444206.db2.gz LDNMVPRXOFEAHG-LBPRGKRZSA-N 1 3 345.513 0.680 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000521431020 321975720 /nfs/dbraw/zinc/97/57/20/321975720.db2.gz CBDUOPNHMBATKI-HNNXBMFYSA-N 1 3 337.464 0.767 20 0 ECADHO CC[N@H+](CCC1CCN(C(=O)C(=O)NC2CNC2)CC1)CC(C)C ZINC000561256813 322257784 /nfs/dbraw/zinc/25/77/84/322257784.db2.gz PFLXSRHLHDDFOZ-UHFFFAOYSA-N 1 3 338.496 0.681 20 0 ECADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)NC2CNC2)CC1)CC(C)C ZINC000561256813 322257786 /nfs/dbraw/zinc/25/77/86/322257786.db2.gz PFLXSRHLHDDFOZ-UHFFFAOYSA-N 1 3 338.496 0.681 20 0 ECADHO CN(CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000563055032 322294868 /nfs/dbraw/zinc/29/48/68/322294868.db2.gz MIHBZPVRYMBMSJ-INIZCTEOSA-N 1 3 342.447 0.892 20 0 ECADHO CN1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])[C@@H]1c1ccccc1 ZINC000563587858 322330702 /nfs/dbraw/zinc/33/07/02/322330702.db2.gz CUFXPWHSDMSMPG-ZACQAIPSSA-N 1 3 331.464 0.716 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000563620991 322334000 /nfs/dbraw/zinc/33/40/00/322334000.db2.gz SWPDTRBHZQRMPZ-GJZGRUSLSA-N 1 3 326.485 0.727 20 0 ECADHO CN1CCN(C[C@@H](O)CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000563882271 322350149 /nfs/dbraw/zinc/35/01/49/322350149.db2.gz WPKNWCODZFEPJR-MOPGFXCFSA-N 1 3 348.491 0.273 20 0 ECADHO CN1CCN(C[C@@H](O)CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000563882271 322350152 /nfs/dbraw/zinc/35/01/52/322350152.db2.gz WPKNWCODZFEPJR-MOPGFXCFSA-N 1 3 348.491 0.273 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000569846156 322667023 /nfs/dbraw/zinc/66/70/23/322667023.db2.gz REMHWZFCKSMVKJ-NEPJUHHUSA-N 1 3 336.436 0.937 20 0 ECADHO N[C@H]1Cc2ccccc2N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000570334016 322684269 /nfs/dbraw/zinc/68/42/69/322684269.db2.gz NNIZLNICVDQXCM-ZDUSSCGKSA-N 1 3 326.404 0.733 20 0 ECADHO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000571857628 322735113 /nfs/dbraw/zinc/73/51/13/322735113.db2.gz SWXPVMHKDSTQIT-ILXRZTDVSA-N 1 3 339.484 0.131 20 0 ECADHO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000262662745 535889282 /nfs/dbraw/zinc/88/92/82/535889282.db2.gz HERBSNZFDDAMMC-OAHLLOKOSA-N 1 3 334.464 0.968 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)NCC2(O)CCN(C)CC2)CC1 ZINC000077759872 545694118 /nfs/dbraw/zinc/69/41/18/545694118.db2.gz CMQFDPUEQDMYQL-UHFFFAOYSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCCN2C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000620747253 546450494 /nfs/dbraw/zinc/45/04/94/546450494.db2.gz OTTXENQNODMMMQ-FZKCQIBNSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCCN2C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000620747253 546450497 /nfs/dbraw/zinc/45/04/97/546450497.db2.gz OTTXENQNODMMMQ-FZKCQIBNSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)[C@@H]1CCCN1C ZINC000620747253 546450501 /nfs/dbraw/zinc/45/05/01/546450501.db2.gz OTTXENQNODMMMQ-FZKCQIBNSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)[C@@H]1CCCN1C ZINC000620747253 546450504 /nfs/dbraw/zinc/45/05/04/546450504.db2.gz OTTXENQNODMMMQ-FZKCQIBNSA-N 1 3 336.480 0.623 20 0 ECADHO CCN1CCN(CCC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000620970574 546468566 /nfs/dbraw/zinc/46/85/66/546468566.db2.gz SXZJGWXSZOWGSF-QGZVFWFLSA-N 1 3 340.512 0.583 20 0 ECADHO CCN1CCC([N@@H+]2CCCN(CCS(=O)(=O)NC)CC2)CC1 ZINC000621302419 546499784 /nfs/dbraw/zinc/49/97/84/546499784.db2.gz CAHVFOWVWIJKRD-UHFFFAOYSA-N 1 3 332.514 0.028 20 0 ECADHO CCN1CCC([N@H+]2CCCN(CCS(=O)(=O)NC)CC2)CC1 ZINC000621302419 546499786 /nfs/dbraw/zinc/49/97/86/546499786.db2.gz CAHVFOWVWIJKRD-UHFFFAOYSA-N 1 3 332.514 0.028 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621839161 546571996 /nfs/dbraw/zinc/57/19/96/546571996.db2.gz OPCPZGOADHRENH-LLDVTBCESA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621839159 546572141 /nfs/dbraw/zinc/57/21/41/546572141.db2.gz OPCPZGOADHRENH-FSZRXZPDSA-N 1 3 336.480 0.563 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622026039 546608504 /nfs/dbraw/zinc/60/85/04/546608504.db2.gz CCDLSTIZJBWZLC-RDTXWAMCSA-N 1 3 336.480 0.659 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)C1CC1 ZINC000624651113 546950496 /nfs/dbraw/zinc/95/04/96/546950496.db2.gz XQZMXXBISGTJAQ-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)C1CC1 ZINC000624651113 546950499 /nfs/dbraw/zinc/95/04/99/546950499.db2.gz XQZMXXBISGTJAQ-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000626978444 547366598 /nfs/dbraw/zinc/36/65/98/547366598.db2.gz DALYQBMCUNJSKQ-RDJZCZTQSA-N 1 3 337.512 0.794 20 0 ECADHO CC(C)[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000626978444 547366600 /nfs/dbraw/zinc/36/66/00/547366600.db2.gz DALYQBMCUNJSKQ-RDJZCZTQSA-N 1 3 337.512 0.794 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000636494920 547388162 /nfs/dbraw/zinc/38/81/62/547388162.db2.gz YDXMOYCSZQTCHK-QGZVFWFLSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000642982571 547399066 /nfs/dbraw/zinc/39/90/66/547399066.db2.gz XLNMLPBOHKLEDO-JKSUJKDBSA-N 1 3 336.480 0.722 20 0 ECADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631494 547447418 /nfs/dbraw/zinc/44/74/18/547447418.db2.gz FVVJVMUEXJRMLN-ZDUSSCGKSA-N 1 3 348.451 0.514 20 0 ECADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631494 547447422 /nfs/dbraw/zinc/44/74/22/547447422.db2.gz FVVJVMUEXJRMLN-ZDUSSCGKSA-N 1 3 348.451 0.514 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000668542770 547681761 /nfs/dbraw/zinc/68/17/61/547681761.db2.gz CHGVMUCBFFIYOE-KKUMJFAQSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000668542770 547681764 /nfs/dbraw/zinc/68/17/64/547681764.db2.gz CHGVMUCBFFIYOE-KKUMJFAQSA-N 1 3 336.480 0.718 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000669220212 547854148 /nfs/dbraw/zinc/85/41/48/547854148.db2.gz GKRDHWILMCHWPN-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000669220212 547854152 /nfs/dbraw/zinc/85/41/52/547854152.db2.gz GKRDHWILMCHWPN-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CN1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)[C@@H](C[NH3+])C1 ZINC000669550962 547904794 /nfs/dbraw/zinc/90/47/94/547904794.db2.gz VYBWOHRZAZVXCX-KRWDZBQOSA-N 1 3 346.479 0.582 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000669583508 547909864 /nfs/dbraw/zinc/90/98/64/547909864.db2.gz PVNNTBWHAMSRPZ-UAGQMJEPSA-N 1 3 333.480 0.962 20 0 ECADHO CN1CCN(CC[NH2+]C2CCN(S(C)(=O)=O)CC2)CC1(C)C ZINC000669618770 547912410 /nfs/dbraw/zinc/91/24/10/547912410.db2.gz CFVGSADOPDININ-UHFFFAOYSA-N 1 3 332.514 0.026 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000670983087 548075352 /nfs/dbraw/zinc/07/53/52/548075352.db2.gz DQIVTDKOPBZSBM-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000670997430 548078573 /nfs/dbraw/zinc/07/85/73/548078573.db2.gz HXZIBSDOWWNCKM-CVEARBPZSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672010378 548253977 /nfs/dbraw/zinc/25/39/77/548253977.db2.gz VNWRNVPAWQNINB-HNNXBMFYSA-N 1 3 340.512 0.879 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672011380 548255184 /nfs/dbraw/zinc/25/51/84/548255184.db2.gz RXAJIMKFYNNTIA-GOEBONIOSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)N(C)C1CC1 ZINC000672207367 548282347 /nfs/dbraw/zinc/28/23/47/548282347.db2.gz RCMDTFNQSWGVHL-AWEZNQCLSA-N 1 3 345.447 0.329 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672305554 548302461 /nfs/dbraw/zinc/30/24/61/548302461.db2.gz TVFAFJMDLQSTQJ-JKSUJKDBSA-N 1 3 336.480 0.435 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672305554 548302463 /nfs/dbraw/zinc/30/24/63/548302463.db2.gz TVFAFJMDLQSTQJ-JKSUJKDBSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@@H+]1C ZINC000672311999 548309353 /nfs/dbraw/zinc/30/93/53/548309353.db2.gz PQBBZFOXZUTMKT-VNQPRFMTSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@H+]1C ZINC000672311999 548309358 /nfs/dbraw/zinc/30/93/58/548309358.db2.gz PQBBZFOXZUTMKT-VNQPRFMTSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CCN(CCNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000673141399 548450941 /nfs/dbraw/zinc/45/09/41/548450941.db2.gz QRAWPUVNJKMELC-KRWDZBQOSA-N 1 3 340.512 0.533 20 0 ECADHO CN(CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CCSC1 ZINC000677889379 548967090 /nfs/dbraw/zinc/96/70/90/548967090.db2.gz ZAMFIGSIBANICQ-ZBFHGGJFSA-N 1 3 340.537 0.708 20 0 ECADHO CN(CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCSC1 ZINC000677889379 548967092 /nfs/dbraw/zinc/96/70/92/548967092.db2.gz ZAMFIGSIBANICQ-ZBFHGGJFSA-N 1 3 340.537 0.708 20 0 ECADHO CN(CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCSC1 ZINC000677889379 548967094 /nfs/dbraw/zinc/96/70/94/548967094.db2.gz ZAMFIGSIBANICQ-ZBFHGGJFSA-N 1 3 340.537 0.708 20 0 ECADHO O[C@H](CN1CCC(CCN2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000726070181 578137993 /nfs/dbraw/zinc/13/79/93/578137993.db2.gz BPAYGQRAKGDRBK-SFHVURJKSA-N 1 3 325.497 0.877 20 0 ECADHO O[C@@H](CN1CCCC1)C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000726070181 578137995 /nfs/dbraw/zinc/13/79/95/578137995.db2.gz BPAYGQRAKGDRBK-SFHVURJKSA-N 1 3 325.497 0.877 20 0 ECADHO CCCC1N=NC(=S)N1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000729436671 578295738 /nfs/dbraw/zinc/29/57/38/578295738.db2.gz YLJFOHRGRKGVSH-UHFFFAOYSA-N 1 3 342.513 0.471 20 0 ECADHO CN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@H]2CCC[C@H]21 ZINC000796813060 578627778 /nfs/dbraw/zinc/62/77/78/578627778.db2.gz VPECBWCQFPLSON-QLFBSQMISA-N 1 3 331.482 0.111 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000788795583 578843952 /nfs/dbraw/zinc/84/39/52/578843952.db2.gz ALDLOXFKUZILQY-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCCCC1 ZINC000788795583 578843954 /nfs/dbraw/zinc/84/39/54/578843954.db2.gz ALDLOXFKUZILQY-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000793708008 578936484 /nfs/dbraw/zinc/93/64/84/578936484.db2.gz HQBDXUFVTRRCCM-ZNMIVQPWSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793709239 578936487 /nfs/dbraw/zinc/93/64/87/578936487.db2.gz KOFQJSLQWXZBPA-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793709239 578936488 /nfs/dbraw/zinc/93/64/88/578936488.db2.gz KOFQJSLQWXZBPA-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793710745 578936732 /nfs/dbraw/zinc/93/67/32/578936732.db2.gz UEYGEDFXURUQFR-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(C=O)CC1 ZINC000774304733 579245583 /nfs/dbraw/zinc/24/55/83/579245583.db2.gz XHZVPHQRERBQLS-SFHVURJKSA-N 1 3 346.475 0.486 20 0 ECADHO COC1CCN(CCNC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760491935 579511469 /nfs/dbraw/zinc/51/14/69/579511469.db2.gz RJSKNGVHANHPFA-UHFFFAOYSA-N 1 3 328.526 0.903 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842053254 589010167 /nfs/dbraw/zinc/01/01/67/589010167.db2.gz REBRQRTXISQRMB-RVKKMQEKSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000842190401 589019215 /nfs/dbraw/zinc/01/92/15/589019215.db2.gz SAHOBAONYCVGKO-APWZRJJASA-N 1 3 344.459 0.493 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000842188837 589019230 /nfs/dbraw/zinc/01/92/30/589019230.db2.gz KYIKMJBGYBAJJX-BEFAXECRSA-N 1 3 346.475 0.726 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842252240 589024528 /nfs/dbraw/zinc/02/45/28/589024528.db2.gz ZOOMQWQWVUNVJP-INIZCTEOSA-N 1 3 334.464 0.806 20 0 ECADHO [NH3+][C@H]1C[C@@H](CNC(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000891466020 586169311 /nfs/dbraw/zinc/16/93/11/586169311.db2.gz XNLPULPCKZEGED-IYBDPMFKSA-N 1 3 346.479 0.630 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)CC[NH3+])cc2)CC1 ZINC000841278047 586173365 /nfs/dbraw/zinc/17/33/65/586173365.db2.gz KDUKVGIIBICKCQ-UHFFFAOYSA-N 1 3 333.436 0.184 20 0 ECADHO CS(=O)(=O)C1CC(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000895335777 586176936 /nfs/dbraw/zinc/17/69/36/586176936.db2.gz ACVMVMIUBCWBHT-CGZBRXJRSA-N 1 3 338.473 0.918 20 0 ECADHO CS(=O)(=O)C1CC(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000895335777 586176938 /nfs/dbraw/zinc/17/69/38/586176938.db2.gz ACVMVMIUBCWBHT-CGZBRXJRSA-N 1 3 338.473 0.918 20 0 ECADHO CN(C(=O)NCC(C)(C)N1CCN(C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000891749194 586193472 /nfs/dbraw/zinc/19/34/72/586193472.db2.gz WJQMSKIVJMQROL-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO CN(C(=O)NCC(C)(C)N1CCN(C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000891749194 586193475 /nfs/dbraw/zinc/19/34/75/586193475.db2.gz WJQMSKIVJMQROL-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000891766881 586195650 /nfs/dbraw/zinc/19/56/50/586195650.db2.gz YOLQRVHHAQHZGJ-XOKHGSTOSA-N 1 3 332.448 0.790 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000891995703 586213636 /nfs/dbraw/zinc/21/36/36/586213636.db2.gz RXDHMNYWBWKFSH-OAHLLOKOSA-N 1 3 326.485 0.986 20 0 ECADHO CC(C)(C)N1CC[C@@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000896156906 586223693 /nfs/dbraw/zinc/22/36/93/586223693.db2.gz VHVLYHUFMMJAPH-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CN(C(=O)NCC2([NH3+])CCOCC2)CCN1c1ccncc1 ZINC000892279061 586241899 /nfs/dbraw/zinc/24/18/99/586241899.db2.gz MHNYAEMYYSGGPZ-CQSZACIVSA-N 1 3 333.436 0.810 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892439594 586266680 /nfs/dbraw/zinc/26/66/80/586266680.db2.gz QFRFJSDUUWBRHU-JYJNAYRXSA-N 1 3 325.501 0.829 20 0 ECADHO CN1CCN(CC2(C)CCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC000892557694 586273219 /nfs/dbraw/zinc/27/32/19/586273219.db2.gz VPCSRNRULDPFFM-IYBDPMFKSA-N 1 3 337.512 0.783 20 0 ECADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000897397715 586309996 /nfs/dbraw/zinc/30/99/96/586309996.db2.gz HQICOHHBRBQSAU-WMZOPIPTSA-N 1 3 335.448 0.917 20 0 ECADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000897397715 586310000 /nfs/dbraw/zinc/31/00/00/586310000.db2.gz HQICOHHBRBQSAU-WMZOPIPTSA-N 1 3 335.448 0.917 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893384772 586327988 /nfs/dbraw/zinc/32/79/88/586327988.db2.gz ZDOZGCSTLCENNN-CVEARBPZSA-N 1 3 326.485 0.959 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893384772 586327990 /nfs/dbraw/zinc/32/79/90/586327990.db2.gz ZDOZGCSTLCENNN-CVEARBPZSA-N 1 3 326.485 0.959 20 0 ECADHO CCN1CC[C@H]2OCCN(C(=O)C3C[NH+](C4CCOCC4)C3)[C@H]2C1 ZINC000897849077 586376135 /nfs/dbraw/zinc/37/61/35/586376135.db2.gz DPTPYIBTNORMKO-DLBZAZTESA-N 1 3 337.464 0.419 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1CN([C@H]2CCOC2)C1 ZINC000898585184 586434835 /nfs/dbraw/zinc/43/48/35/586434835.db2.gz OZSKUEVMDOIIQC-HOCLYGCPSA-N 1 3 326.485 0.095 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1CN(C2CCOCC2)C1 ZINC000898585440 586434893 /nfs/dbraw/zinc/43/48/93/586434893.db2.gz XRDCJVHCKPZSHE-HNNXBMFYSA-N 1 3 340.512 0.485 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898585964 586434972 /nfs/dbraw/zinc/43/49/72/586434972.db2.gz GREGFGZLAKRKDE-CQSZACIVSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898585964 586434973 /nfs/dbraw/zinc/43/49/73/586434973.db2.gz GREGFGZLAKRKDE-CQSZACIVSA-N 1 3 339.484 0.480 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(C)CCN(C)CC1 ZINC000899652462 586493955 /nfs/dbraw/zinc/49/39/55/586493955.db2.gz FPJNJZVIHYUVGJ-HNNXBMFYSA-N 1 3 327.542 0.524 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(C)CCN(C)CC1 ZINC000899652462 586493956 /nfs/dbraw/zinc/49/39/56/586493956.db2.gz FPJNJZVIHYUVGJ-HNNXBMFYSA-N 1 3 327.542 0.524 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000899666058 586494349 /nfs/dbraw/zinc/49/43/49/586494349.db2.gz BNQKMSZOVQHALD-HUUCEWRRSA-N 1 3 342.553 0.980 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)c2ccnn2CCN(C)C)CC1 ZINC000900519204 586639111 /nfs/dbraw/zinc/63/91/11/586639111.db2.gz VXVTVDGVHRGTER-UHFFFAOYSA-N 1 3 337.468 0.675 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843261970 589058304 /nfs/dbraw/zinc/05/83/04/589058304.db2.gz POGMXJBOWYZQKJ-CABCVRRESA-N 1 3 326.485 0.858 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)NCc1ccccc1)C2 ZINC000903490735 586778989 /nfs/dbraw/zinc/77/89/89/586778989.db2.gz GAONXSNBKOIXKR-AMVTXUCVSA-N 1 3 345.443 0.904 20 0 ECADHO O=S(=O)(CCCN1CCCC1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544160 586784348 /nfs/dbraw/zinc/78/43/48/586784348.db2.gz JKFRSIATMVVMTR-OAHLLOKOSA-N 1 3 345.509 0.550 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@H]1N ZINC000903720944 586801924 /nfs/dbraw/zinc/80/19/24/586801924.db2.gz URQMASGFVBSPQV-OAHLLOKOSA-N 1 3 336.480 0.517 20 0 ECADHO CS(=O)(=O)NCC1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903757113 586812172 /nfs/dbraw/zinc/81/21/72/586812172.db2.gz XXHCYYMSOWAVPW-OAHLLOKOSA-N 1 3 345.509 0.406 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903756120 586812182 /nfs/dbraw/zinc/81/21/82/586812182.db2.gz ISJFXNHNDDFGPP-GHMZBOCLSA-N 1 3 338.374 0.133 20 0 ECADHO COC(=O)c1cn([C@@H]2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903759100 586812991 /nfs/dbraw/zinc/81/29/91/586812991.db2.gz OQVDSIOMSPBJCF-KGLIPLIRSA-N 1 3 349.435 0.470 20 0 ECADHO CNS(=O)(=O)C[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903774873 586813911 /nfs/dbraw/zinc/81/39/11/586813911.db2.gz AUGQROBDWFTGQX-QLFBSQMISA-N 1 3 331.482 0.016 20 0 ECADHO O=C1NCCN1CC1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903823839 586817851 /nfs/dbraw/zinc/81/78/51/586817851.db2.gz KGHFTFLSAVWNBN-MRXNPFEDSA-N 1 3 336.480 0.882 20 0 ECADHO Nc1nc(C2CC2)nc(N2CCN(CCC3CC[NH2+]CC3)CC2)n1 ZINC000903822925 586818129 /nfs/dbraw/zinc/81/81/29/586818129.db2.gz ACTFCVQQRYLSPS-UHFFFAOYSA-N 1 3 331.468 0.843 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000103211343 586824911 /nfs/dbraw/zinc/82/49/11/586824911.db2.gz BLGZLMBFZYFVGN-INIZCTEOSA-N 1 3 333.432 0.720 20 0 ECADHO Cn1ccnc1[C@H]1CNCCN1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904350180 586835653 /nfs/dbraw/zinc/83/56/53/586835653.db2.gz HWJTVCDBSMYIDS-OAHLLOKOSA-N 1 3 330.436 0.569 20 0 ECADHO [NH3+]CC[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C(F)(F)F ZINC000904515916 586839422 /nfs/dbraw/zinc/83/94/22/586839422.db2.gz QNXPMSNHYACWOJ-SRVKXCTJSA-N 1 3 338.374 0.507 20 0 ECADHO CN(C)CCNC(=S)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745177795 586863266 /nfs/dbraw/zinc/86/32/66/586863266.db2.gz CNGYUQDVQWCEML-UHFFFAOYSA-N 1 3 328.526 0.999 20 0 ECADHO CN1CCN(C[C@@H](O)CN[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000905554619 586900735 /nfs/dbraw/zinc/90/07/35/586900735.db2.gz YGYYHKHEVBADQK-ZWKOTPCHSA-N 1 3 335.496 0.272 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)C1 ZINC000906440603 586947404 /nfs/dbraw/zinc/94/74/04/586947404.db2.gz HRRKKJLSTJDEOD-QGZVFWFLSA-N 1 3 338.496 0.193 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)C1 ZINC000906440603 586947405 /nfs/dbraw/zinc/94/74/05/586947405.db2.gz HRRKKJLSTJDEOD-QGZVFWFLSA-N 1 3 338.496 0.193 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000906778640 586980099 /nfs/dbraw/zinc/98/00/99/586980099.db2.gz GKXBQWXXJJOUSL-KSSFIOAISA-N 1 3 330.432 0.945 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000817975523 587394109 /nfs/dbraw/zinc/39/41/09/587394109.db2.gz VZDPPKIAIFZOHZ-MRXNPFEDSA-N 1 3 332.448 0.397 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)CC1=O ZINC000844195724 589102274 /nfs/dbraw/zinc/10/22/74/589102274.db2.gz ZAEFPVRSYVGJJE-CYBMUJFWSA-N 1 3 348.451 0.156 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)NCCCCCC[NH3+])CC1 ZINC000831127633 588407161 /nfs/dbraw/zinc/40/71/61/588407161.db2.gz VXCZIORTHKJTNJ-UHFFFAOYSA-N 1 3 341.500 0.747 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000846729319 589221185 /nfs/dbraw/zinc/22/11/85/589221185.db2.gz FHGDXZIZFKPPBB-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCNC(=S)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000849281152 589324696 /nfs/dbraw/zinc/32/46/96/589324696.db2.gz LNXVUKJVGFCVIT-MRXNPFEDSA-N 1 3 336.505 0.779 20 0 ECADHO CN(C)CCNC(=S)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000849281152 589324699 /nfs/dbraw/zinc/32/46/99/589324699.db2.gz LNXVUKJVGFCVIT-MRXNPFEDSA-N 1 3 336.505 0.779 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851836800 589427849 /nfs/dbraw/zinc/42/78/49/589427849.db2.gz QHBNKSLIHACRIC-HNNXBMFYSA-N 1 3 327.469 0.918 20 0 ECADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852888406 589522026 /nfs/dbraw/zinc/52/20/26/589522026.db2.gz WWDXLQDPMRCAGH-SWLSCSKDSA-N 1 3 331.420 0.827 20 0 ECADHO [NH3+][C@H](CC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000852930240 589527198 /nfs/dbraw/zinc/52/71/98/589527198.db2.gz HEEWMAHVUMEMRF-LSDHHAIUSA-N 1 3 346.479 0.653 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000857112038 589687423 /nfs/dbraw/zinc/68/74/23/589687423.db2.gz CYIOFBXPRVIMKI-BHYGNILZSA-N 1 3 334.464 0.906 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)C2)C1 ZINC000867797972 589844105 /nfs/dbraw/zinc/84/41/05/589844105.db2.gz FAICNISXYMXSRB-BXWFABGCSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)C2)C1 ZINC000867797972 589844107 /nfs/dbraw/zinc/84/41/07/589844107.db2.gz FAICNISXYMXSRB-BXWFABGCSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCC1(C)C ZINC000868166301 589877669 /nfs/dbraw/zinc/87/76/69/589877669.db2.gz JTYAUDDNAZWJPT-UHFFFAOYSA-N 1 3 347.467 0.834 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1CC1 ZINC000868228842 589882043 /nfs/dbraw/zinc/88/20/43/589882043.db2.gz IEAQTGWXYNULRU-ARFHVFGLSA-N 1 3 330.432 0.896 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])N1CCC(C)CC1 ZINC000861756023 589888350 /nfs/dbraw/zinc/88/83/50/589888350.db2.gz SJPZZIUMDRHMDC-CABCVRRESA-N 1 3 326.485 0.665 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])N1CCC(C)CC1 ZINC000861756025 589888360 /nfs/dbraw/zinc/88/83/60/589888360.db2.gz SJPZZIUMDRHMDC-HUUCEWRRSA-N 1 3 326.485 0.665 20 0 ECADHO O=S(=O)(CCCN1CCCC1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871810199 590088181 /nfs/dbraw/zinc/08/81/81/590088181.db2.gz KCQIFUPFOXCREB-HNNXBMFYSA-N 1 3 345.509 0.550 20 0 ECADHO COCC[C@H](CNC[C@@]1(O)CC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865528987 590148839 /nfs/dbraw/zinc/14/88/39/590148839.db2.gz SZSDHMMKRMPAJK-CJNGLKHVSA-N 1 3 331.457 0.572 20 0 ECADHO COCC[C@H](CNC[C@@]1(O)CC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865528987 590148841 /nfs/dbraw/zinc/14/88/41/590148841.db2.gz SZSDHMMKRMPAJK-CJNGLKHVSA-N 1 3 331.457 0.572 20 0 ECADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000873111229 590184128 /nfs/dbraw/zinc/18/41/28/590184128.db2.gz IMKGFAIGYHAOJY-HZPDHXFCSA-N 1 3 328.416 0.923 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875059630 590266186 /nfs/dbraw/zinc/26/61/86/590266186.db2.gz XOGSJMZCSFNBLF-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875059630 590266188 /nfs/dbraw/zinc/26/61/88/590266188.db2.gz XOGSJMZCSFNBLF-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCC1(C)C ZINC000875099474 590270769 /nfs/dbraw/zinc/27/07/69/590270769.db2.gz QJHRVSFCQRXHJO-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCC1(C)C ZINC000875099474 590270770 /nfs/dbraw/zinc/27/07/70/590270770.db2.gz QJHRVSFCQRXHJO-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCC1(C)C ZINC000875179673 590278774 /nfs/dbraw/zinc/27/87/74/590278774.db2.gz HQRWHWKJRADLTK-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCC1(C)C ZINC000875179673 590278776 /nfs/dbraw/zinc/27/87/76/590278776.db2.gz HQRWHWKJRADLTK-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC[C@H]21 ZINC000875444961 590302558 /nfs/dbraw/zinc/30/25/58/590302558.db2.gz PFQKNUFNSXVAAI-QBPKDAKJSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC[C@H]21 ZINC000875444961 590302560 /nfs/dbraw/zinc/30/25/60/590302560.db2.gz PFQKNUFNSXVAAI-QBPKDAKJSA-N 1 3 348.491 0.672 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@@](C)(CC(=O)OC)C2CC2)CC1 ZINC000879438549 590312254 /nfs/dbraw/zinc/31/22/54/590312254.db2.gz JJDZRMOJDVPOIL-KRWDZBQOSA-N 1 3 325.453 0.908 20 0 ECADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876931143 590427837 /nfs/dbraw/zinc/42/78/37/590427837.db2.gz JPNNVXYIWBMKHY-CQSZACIVSA-N 1 3 340.493 0.450 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)ccc2[nH]c1=O ZINC000877241388 590448353 /nfs/dbraw/zinc/44/83/53/590448353.db2.gz QEEPREPIYUYICR-BJHJDKERSA-N 1 3 331.420 0.771 20 0 ECADHO CCN1CCN(CCC(=O)NC2(CCOC)CC[NH2+]CC2)CC1 ZINC000877267864 590451599 /nfs/dbraw/zinc/45/15/99/590451599.db2.gz HXKDFDNDEZBLBF-UHFFFAOYSA-N 1 3 326.485 0.289 20 0 ECADHO Cc1c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)nnn1C1CC[NH2+]CC1 ZINC000877451230 590466044 /nfs/dbraw/zinc/46/60/44/590466044.db2.gz LPACDVQRRNLHGH-LSDHHAIUSA-N 1 3 332.452 0.820 20 0 ECADHO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)NC2CCN(C)CC2)C1 ZINC000878453103 590522565 /nfs/dbraw/zinc/52/25/65/590522565.db2.gz GTBQIROPEKAVEG-UONOGXRCSA-N 1 3 340.468 0.653 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000883645688 590640219 /nfs/dbraw/zinc/64/02/19/590640219.db2.gz SQOLKFILAZMJCB-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884886448 590642607 /nfs/dbraw/zinc/64/26/07/590642607.db2.gz LXKQDJNMWBNDJC-KRWDZBQOSA-N 1 3 346.475 0.617 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884893551 590644295 /nfs/dbraw/zinc/64/42/95/590644295.db2.gz ICFXXUFKHXTTPQ-IAGOWNOFSA-N 1 3 346.475 0.615 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000884973943 590659312 /nfs/dbraw/zinc/65/93/12/590659312.db2.gz JFWLKAOBCUXYJM-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885194781 590693800 /nfs/dbraw/zinc/69/38/00/590693800.db2.gz DZPOBMNALKGNMU-UHFFFAOYSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000885281970 590703692 /nfs/dbraw/zinc/70/36/92/590703692.db2.gz ZDGWEGNIRNSRHR-OLZOCXBDSA-N 1 3 344.406 0.044 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884311587 590801897 /nfs/dbraw/zinc/80/18/97/590801897.db2.gz GUBJCQPLLODMMO-AWEZNQCLSA-N 1 3 325.453 0.623 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884462813 590833952 /nfs/dbraw/zinc/83/39/52/590833952.db2.gz PNIWXUXFACEWKR-HNNXBMFYSA-N 1 3 331.464 0.999 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884576139 590861776 /nfs/dbraw/zinc/86/17/76/590861776.db2.gz ATXHVGJKQSQBNK-CHWSQXEVSA-N 1 3 346.422 0.196 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884576142 590861781 /nfs/dbraw/zinc/86/17/81/590861781.db2.gz ATXHVGJKQSQBNK-STQMWFEESA-N 1 3 346.422 0.196 20 0 ECADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884578219 590862591 /nfs/dbraw/zinc/86/25/91/590862591.db2.gz WBHBROWTVRQKPF-YESZJQIVSA-N 1 3 342.443 0.512 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCN1c1ccncc1 ZINC000884683127 590892579 /nfs/dbraw/zinc/89/25/79/590892579.db2.gz VRMFRUXCSXFKNH-GJZGRUSLSA-N 1 3 345.447 0.377 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@@H](COC)[C@H]2CCCOC2)CC1 ZINC000886903513 590904957 /nfs/dbraw/zinc/90/49/57/590904957.db2.gz AHRYDWYGGFFLED-HOCLYGCPSA-N 1 3 327.469 0.618 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884716966 590906742 /nfs/dbraw/zinc/90/67/42/590906742.db2.gz OGJCMGWPHUGLJU-IJEWVQPXSA-N 1 3 345.447 0.233 20 0 ECADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000884776900 590920096 /nfs/dbraw/zinc/92/00/96/590920096.db2.gz ZTANIHRTUABBOL-OWCLPIDISA-N 1 3 336.480 0.849 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884787549 590923325 /nfs/dbraw/zinc/92/33/25/590923325.db2.gz VLUVLOCUTKKSFM-QAPCUYQASA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)CC[C@@H]1[NH3+] ZINC000887091563 590942375 /nfs/dbraw/zinc/94/23/75/590942375.db2.gz OBJHOFFIEMDZOL-FMKPAKJESA-N 1 3 345.447 0.314 20 0 ECADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)N1CCN(C)CC1 ZINC000887134178 590947598 /nfs/dbraw/zinc/94/75/98/590947598.db2.gz DQNXAMKPEHPZGT-MRXNPFEDSA-N 1 3 331.464 0.756 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC([NH2+]C3CCC3)CC2)CC1=O ZINC000889832882 591103975 /nfs/dbraw/zinc/10/39/75/591103975.db2.gz SGZIFRQLEXEDAK-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000930503108 611435874 /nfs/dbraw/zinc/43/58/74/611435874.db2.gz QCVJWTBCMWMUBQ-MRXNPFEDSA-N 1 3 336.484 0.381 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000930503108 611435876 /nfs/dbraw/zinc/43/58/76/611435876.db2.gz QCVJWTBCMWMUBQ-MRXNPFEDSA-N 1 3 336.484 0.381 20 0 ECADHO C[N@H+](CCCCNC(=O)C(=O)NCCN1CCC(C)(C)C1)C1CC1 ZINC000930804842 611465530 /nfs/dbraw/zinc/46/55/30/611465530.db2.gz BWJAECWBEDKZMQ-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[N@@H+](CCCCNC(=O)C(=O)NCCN1CCC(C)(C)C1)C1CC1 ZINC000930804842 611465531 /nfs/dbraw/zinc/46/55/31/611465531.db2.gz BWJAECWBEDKZMQ-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO N[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)C12CCC2 ZINC000925544669 611486573 /nfs/dbraw/zinc/48/65/73/611486573.db2.gz UKFDLEKAODRDCD-CVEARBPZSA-N 1 3 343.475 0.980 20 0 ECADHO CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817298 611503322 /nfs/dbraw/zinc/50/33/22/611503322.db2.gz OMJDJXDAAAXMIP-MSOLQXFVSA-N 1 3 346.475 0.475 20 0 ECADHO COCCN(C[C@@H]1CN=C(c2cnn(C)c2)O1)CC1CC[NH+](C)CC1 ZINC000931381373 611533801 /nfs/dbraw/zinc/53/38/01/611533801.db2.gz XJBGXKGEPHBHJZ-KRWDZBQOSA-N 1 3 349.479 0.856 20 0 ECADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CCN3C3CCOCC3)[C@@H]2C1 ZINC000927634916 611621837 /nfs/dbraw/zinc/62/18/37/611621837.db2.gz ASNOVKPMDLQCIN-USXIJHARSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CCN3C3CCOCC3)[C@@H]2C1 ZINC000927634916 611621839 /nfs/dbraw/zinc/62/18/39/611621839.db2.gz ASNOVKPMDLQCIN-USXIJHARSA-N 1 3 336.480 0.975 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(Cc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000924463013 608868651 /nfs/dbraw/zinc/86/86/51/608868651.db2.gz IRZJTPMVVCGCFV-OAHLLOKOSA-N 1 3 334.420 0.609 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000920310401 609679304 /nfs/dbraw/zinc/67/93/04/609679304.db2.gz OXGUMUATSRHZJB-AWEZNQCLSA-N 1 3 327.542 0.571 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000910959409 609782948 /nfs/dbraw/zinc/78/29/48/609782948.db2.gz QAUKRVMNSFQRHA-IAGOWNOFSA-N 1 3 344.459 0.716 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000910972145 609786045 /nfs/dbraw/zinc/78/60/45/609786045.db2.gz QSNAZBKCSRJWBK-JYJNAYRXSA-N 1 3 332.448 0.129 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000910972066 609786197 /nfs/dbraw/zinc/78/61/97/609786197.db2.gz OXPPGSIHJWYQAX-HOTGVXAUSA-N 1 3 346.475 0.471 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@H+](C)C1CC1 ZINC000911207548 609825365 /nfs/dbraw/zinc/82/53/65/609825365.db2.gz VGQUUQNPMWDJFC-IUIKQTSFSA-N 1 3 330.432 0.326 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@@H+](C)C1CC1 ZINC000911207548 609825366 /nfs/dbraw/zinc/82/53/66/609825366.db2.gz VGQUUQNPMWDJFC-IUIKQTSFSA-N 1 3 330.432 0.326 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911332114 609849803 /nfs/dbraw/zinc/84/98/03/609849803.db2.gz NWWOZLACVVAGRV-RLFYNMQTSA-N 1 3 336.480 0.563 20 0 ECADHO C[NH+](C)C1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911314684 609852154 /nfs/dbraw/zinc/85/21/54/609852154.db2.gz LEKGCJMDVGKYOX-GMGZGELVSA-N 1 3 344.459 0.716 20 0 ECADHO CC1([NH+]2CCCC2)CCC(NC(=O)C(=O)N2CCCNCC2)CC1 ZINC000911412649 609869916 /nfs/dbraw/zinc/86/99/16/609869916.db2.gz ACOILVCRJCMYEM-UHFFFAOYSA-N 1 3 336.480 0.722 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911516918 609889540 /nfs/dbraw/zinc/88/95/40/609889540.db2.gz PYUNSABAIJVLAI-FVQBIDKESA-N 1 3 330.432 0.280 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CCC1(C)C ZINC000911521223 609891192 /nfs/dbraw/zinc/89/11/92/609891192.db2.gz UOWWIFZEBXGVFA-HZPDHXFCSA-N 1 3 344.459 0.670 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000911554724 609893861 /nfs/dbraw/zinc/89/38/61/609893861.db2.gz BWFAYTJGBPIYGP-OWCLPIDISA-N 1 3 338.496 0.871 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000915066643 609903438 /nfs/dbraw/zinc/90/34/38/609903438.db2.gz UFXMLWXBUTZYIJ-UHFFFAOYSA-N 1 3 334.464 0.415 20 0 ECADHO CN1CCNC[C@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000911744001 609908896 /nfs/dbraw/zinc/90/88/96/609908896.db2.gz FNIFOUYSBCZGRD-INIZCTEOSA-N 1 3 346.431 0.438 20 0 ECADHO CN1CCNC[C@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000911745604 609909060 /nfs/dbraw/zinc/90/90/60/609909060.db2.gz QXMKHEQLLXWVBG-CVEARBPZSA-N 1 3 346.431 0.438 20 0 ECADHO CN1CCNC[C@@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000911750570 609909327 /nfs/dbraw/zinc/90/93/27/609909327.db2.gz DQDFLNKUWWQZQK-XJKSGUPXSA-N 1 3 346.431 0.438 20 0 ECADHO C[NH+](C)CCCNC(=S)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000916017080 609929020 /nfs/dbraw/zinc/92/90/20/609929020.db2.gz QMOLLWCBCPZLFG-HNNXBMFYSA-N 1 3 328.526 0.999 20 0 ECADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCc1ccnn1C ZINC000939423486 610191716 /nfs/dbraw/zinc/19/17/16/610191716.db2.gz QKFIVPAWNNZLAZ-RHSMWYFYSA-N 1 3 349.479 0.467 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC000940772239 610365063 /nfs/dbraw/zinc/36/50/63/610365063.db2.gz TXPWAKKTDQHUJN-QKPAOTATSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC000940772239 610365064 /nfs/dbraw/zinc/36/50/64/610365064.db2.gz TXPWAKKTDQHUJN-QKPAOTATSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C)CN1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941641207 610435416 /nfs/dbraw/zinc/43/54/16/610435416.db2.gz ZMUUTNFHQGOFHV-INIZCTEOSA-N 1 3 334.508 0.957 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000941676417 610449058 /nfs/dbraw/zinc/44/90/58/610449058.db2.gz BBWGJARIBVUTDV-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000941676417 610449061 /nfs/dbraw/zinc/44/90/61/610449061.db2.gz BBWGJARIBVUTDV-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000942430481 610455038 /nfs/dbraw/zinc/45/50/38/610455038.db2.gz UYGFGYLWCHMIRQ-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000943285685 610780883 /nfs/dbraw/zinc/78/08/83/610780883.db2.gz OJKATZHXAVRRLF-IIAWOOMASA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000943285685 610780886 /nfs/dbraw/zinc/78/08/86/610780886.db2.gz OJKATZHXAVRRLF-IIAWOOMASA-N 1 3 347.463 0.790 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000944328004 610838889 /nfs/dbraw/zinc/83/88/89/610838889.db2.gz YTTSTHPZOOCLMF-CQSZACIVSA-N 1 3 331.420 0.155 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000944029932 611091189 /nfs/dbraw/zinc/09/11/89/611091189.db2.gz CQWMINGXXXTBJG-OAHLLOKOSA-N 1 3 334.464 0.285 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000944079083 611115844 /nfs/dbraw/zinc/11/58/44/611115844.db2.gz IZRCSPPKWCRSRP-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000944079083 611115846 /nfs/dbraw/zinc/11/58/46/611115846.db2.gz IZRCSPPKWCRSRP-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H]1C ZINC000923200710 611213818 /nfs/dbraw/zinc/21/38/18/611213818.db2.gz BUEQUQONBWEBAG-KKUMJFAQSA-N 1 3 342.484 0.709 20 0 ECADHO COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H]1C ZINC000923200710 611213820 /nfs/dbraw/zinc/21/38/20/611213820.db2.gz BUEQUQONBWEBAG-KKUMJFAQSA-N 1 3 342.484 0.709 20 0 ECADHO CN(CCN1CC[NH2+]CC1)C[C@@H](O)COc1ccccc1Cl ZINC000923287405 611225089 /nfs/dbraw/zinc/22/50/89/611225089.db2.gz ULJKFXJGDYYNTK-CQSZACIVSA-N 1 3 327.856 0.917 20 0 ECADHO Cn1nccc1[C@H]1[C@H](NC[C@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1C1CC1 ZINC000923380952 611235888 /nfs/dbraw/zinc/23/58/88/611235888.db2.gz ZYWRJFDAGSAMRI-CKEIUWERSA-N 1 3 345.447 0.193 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)N2CCNCC2)C1 ZINC000923588350 611270061 /nfs/dbraw/zinc/27/00/61/611270061.db2.gz DIZRYOBGJSYFHT-HUUCEWRRSA-N 1 3 332.514 0.484 20 0 ECADHO COC1CC[NH+](C2(CNS(=O)(=O)C3CNC3)CCCC2)CC1 ZINC000923609076 611328932 /nfs/dbraw/zinc/32/89/32/611328932.db2.gz UXGMFWBHCFYKCS-UHFFFAOYSA-N 1 3 331.482 0.301 20 0 ECADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc3n1CCOC3)C2 ZINC000922391076 611349581 /nfs/dbraw/zinc/34/95/81/611349581.db2.gz RNTWBPZZJPJPDQ-JOCBIADPSA-N 1 3 334.464 0.983 20 0 ECADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc3n1CCOC3)C2 ZINC000922391076 611349583 /nfs/dbraw/zinc/34/95/83/611349583.db2.gz RNTWBPZZJPJPDQ-JOCBIADPSA-N 1 3 334.464 0.983 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCN1CCCC1=O ZINC000947934285 611746404 /nfs/dbraw/zinc/74/64/04/611746404.db2.gz KFYAUBMRSNNUMF-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CCOC(=O)C1([C@@H](C)NC[C@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000933886137 611756759 /nfs/dbraw/zinc/75/67/59/611756759.db2.gz JZJAQSVULNMMIY-CABCVRRESA-N 1 3 328.453 0.781 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000948965273 611774447 /nfs/dbraw/zinc/77/44/47/611774447.db2.gz BXASCFPRAHGHCS-MRXNPFEDSA-N 1 3 336.480 0.389 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000948965273 611774449 /nfs/dbraw/zinc/77/44/49/611774449.db2.gz BXASCFPRAHGHCS-MRXNPFEDSA-N 1 3 336.480 0.389 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N2CCN(CC[C@H]3CCCO3)CC2)C1 ZINC000949840381 611777427 /nfs/dbraw/zinc/77/74/27/611777427.db2.gz AVHBNRBJBKQLSH-IAGOWNOFSA-N 1 3 339.480 0.809 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N2CC[NH+](CC[C@H]3CCCO3)CC2)C1 ZINC000949840381 611777431 /nfs/dbraw/zinc/77/74/31/611777431.db2.gz AVHBNRBJBKQLSH-IAGOWNOFSA-N 1 3 339.480 0.809 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951237758 612096138 /nfs/dbraw/zinc/09/61/38/612096138.db2.gz DQHRKJUIOFCVQI-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000952151575 612250775 /nfs/dbraw/zinc/25/07/75/612250775.db2.gz OAUFXAOUVOVAIC-CQSZACIVSA-N 1 3 333.436 0.401 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904858 612420248 /nfs/dbraw/zinc/42/02/48/612420248.db2.gz MBYWHZFBFXOLPF-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904858 612420254 /nfs/dbraw/zinc/42/02/54/612420254.db2.gz MBYWHZFBFXOLPF-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000955340295 612462403 /nfs/dbraw/zinc/46/24/03/612462403.db2.gz JQBRAVMKCIFTOE-SQWLQELKSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000955340295 612462406 /nfs/dbraw/zinc/46/24/06/612462406.db2.gz JQBRAVMKCIFTOE-SQWLQELKSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000955342267 612466582 /nfs/dbraw/zinc/46/65/82/612466582.db2.gz VPHRPSLQFSENQB-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000955342267 612466584 /nfs/dbraw/zinc/46/65/84/612466584.db2.gz VPHRPSLQFSENQB-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC000956063984 612668365 /nfs/dbraw/zinc/66/83/65/612668365.db2.gz COTQMDRKGNXWPF-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000956063984 612668366 /nfs/dbraw/zinc/66/83/66/612668366.db2.gz COTQMDRKGNXWPF-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954820809 612713560 /nfs/dbraw/zinc/71/35/60/612713560.db2.gz HPBLQJCLVMGUMA-UHFFFAOYSA-N 1 3 331.420 0.250 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000954840613 612735899 /nfs/dbraw/zinc/73/58/99/612735899.db2.gz PSQCTWYQNPRWDI-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954840613 612735900 /nfs/dbraw/zinc/73/59/00/612735900.db2.gz PSQCTWYQNPRWDI-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC000954952781 612814741 /nfs/dbraw/zinc/81/47/41/612814741.db2.gz NQXJGFGFZYZSQA-OAHLLOKOSA-N 1 3 338.496 0.870 20 0 ECADHO O=C(N1CCCC[C@H]1CN[C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001024999153 738479359 /nfs/dbraw/zinc/47/93/59/738479359.db2.gz SMSXSGRXFHFHLL-JKSUJKDBSA-N 1 3 348.491 0.722 20 0 ECADHO O=C([C@H]1CCn2ccnc2C1)N1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000969135673 731517581 /nfs/dbraw/zinc/51/75/81/731517581.db2.gz MNYWAOSTTOCZKW-NWDGAFQWSA-N 1 3 332.433 0.688 20 0 ECADHO CN1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccsc3)C2)CC1=O ZINC000969135428 731517701 /nfs/dbraw/zinc/51/77/01/731517701.db2.gz JBPHMOHTWABXMZ-CQSZACIVSA-N 1 3 336.461 0.213 20 0 ECADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@@H]2CC[N@H+](C)C2)C3)CCC1 ZINC000969208572 731599257 /nfs/dbraw/zinc/59/92/57/731599257.db2.gz UWHXYZXJSLFMCH-OAGGEKHMSA-N 1 3 348.491 0.624 20 0 ECADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C3)CCC1 ZINC000969208572 731599259 /nfs/dbraw/zinc/59/92/59/731599259.db2.gz UWHXYZXJSLFMCH-OAGGEKHMSA-N 1 3 348.491 0.624 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCc3n[nH]c(C)n3)C2)C1 ZINC000969675240 732040625 /nfs/dbraw/zinc/04/06/25/732040625.db2.gz RQZRRDMCCIIZHM-LSDHHAIUSA-N 1 3 334.468 0.926 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCc3n[nH]c(C)n3)C2)C1 ZINC000969675240 732040627 /nfs/dbraw/zinc/04/06/27/732040627.db2.gz RQZRRDMCCIIZHM-LSDHHAIUSA-N 1 3 334.468 0.926 20 0 ECADHO C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(CCc2ccnn2C)C1 ZINC000969676879 732041772 /nfs/dbraw/zinc/04/17/72/732041772.db2.gz JHPPWVMBKITTTG-KDOFPFPSSA-N 1 3 345.491 0.741 20 0 ECADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209244063 732753502 /nfs/dbraw/zinc/75/35/02/732753502.db2.gz XVZXZFYKZKITCJ-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209244063 732753505 /nfs/dbraw/zinc/75/35/05/732753505.db2.gz XVZXZFYKZKITCJ-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](F)CN(CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532982 733055027 /nfs/dbraw/zinc/05/50/27/733055027.db2.gz NLDWGBPPAMYMFJ-OAHLLOKOSA-N 1 3 347.475 0.598 20 0 ECADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCn2cncn2)CC1 ZINC001167225438 733068636 /nfs/dbraw/zinc/06/86/36/733068636.db2.gz VSYXXXGNILTGGP-HNNXBMFYSA-N 1 3 334.468 0.639 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001167225753 733069491 /nfs/dbraw/zinc/06/94/91/733069491.db2.gz ZNANXIWWTLYNSL-HUUCEWRRSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@H]([NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1)C(=O)N(C)C ZINC001167232420 733076352 /nfs/dbraw/zinc/07/63/52/733076352.db2.gz CAVWNKRWJDRXPW-CABCVRRESA-N 1 3 338.496 0.681 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1=O ZINC000970337819 733371477 /nfs/dbraw/zinc/37/14/77/733371477.db2.gz WZKQLOPRQMDKLB-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO COc1cc(CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)ccn1 ZINC000970490489 733609764 /nfs/dbraw/zinc/60/97/64/733609764.db2.gz RETCFBZMUIXXSQ-OAHLLOKOSA-N 1 3 330.432 0.877 20 0 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782427128 /nfs/dbraw/zinc/42/71/28/782427128.db2.gz DMHHJDJNFCBXJY-RRFJBIMHSA-N 1 3 345.434 0.925 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC3CCC(F)(F)CC3)C[C@H]2O)C1 ZINC001078174197 782427132 /nfs/dbraw/zinc/42/71/32/782427132.db2.gz DMHHJDJNFCBXJY-RRFJBIMHSA-N 1 3 345.434 0.925 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000971563587 734752222 /nfs/dbraw/zinc/75/22/22/734752222.db2.gz OPUOILJEQSXHFA-KBRIMQKVSA-N 1 3 348.495 0.768 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000971563587 734752223 /nfs/dbraw/zinc/75/22/23/734752223.db2.gz OPUOILJEQSXHFA-KBRIMQKVSA-N 1 3 348.495 0.768 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccn(C)c(=O)c3)C2)CCC1 ZINC000971673553 734938824 /nfs/dbraw/zinc/93/88/24/734938824.db2.gz HIHKDDJQBBYQMT-MRXNPFEDSA-N 1 3 346.475 0.902 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccn(C)c(=O)c3)C2)CCC1 ZINC000971673553 734938826 /nfs/dbraw/zinc/93/88/26/734938826.db2.gz HIHKDDJQBBYQMT-MRXNPFEDSA-N 1 3 346.475 0.902 20 0 ECADHO CCOCCC[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562154 735549967 /nfs/dbraw/zinc/54/99/67/735549967.db2.gz SGXPDBYFIBQQFL-UHFFFAOYSA-N 1 3 341.496 0.794 20 0 ECADHO CCOCCC[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562154 735549969 /nfs/dbraw/zinc/54/99/69/735549969.db2.gz SGXPDBYFIBQQFL-UHFFFAOYSA-N 1 3 341.496 0.794 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(CCN2CCCC2=O)CC1 ZINC001006400439 751351926 /nfs/dbraw/zinc/35/19/26/751351926.db2.gz OADMTWUKMQVIAK-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(CCN2CCCC2=O)CC1 ZINC001006400439 751351932 /nfs/dbraw/zinc/35/19/32/751351932.db2.gz OADMTWUKMQVIAK-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001167627140 736152551 /nfs/dbraw/zinc/15/25/51/736152551.db2.gz KRDRZXCZQFHORY-OAHLLOKOSA-N 1 3 339.484 0.370 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](CCO)C[C@H](C)O)CC1 ZINC001098572394 736268082 /nfs/dbraw/zinc/26/80/82/736268082.db2.gz FRJVMMZJPLRFIC-RDJZCZTQSA-N 1 3 341.496 0.527 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)C[C@H](C)O)CC1 ZINC001098572394 736268085 /nfs/dbraw/zinc/26/80/85/736268085.db2.gz FRJVMMZJPLRFIC-RDJZCZTQSA-N 1 3 341.496 0.527 20 0 ECADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnccc2N(C)C)C1)c1nncn1C ZINC001022984894 736358906 /nfs/dbraw/zinc/35/89/06/736358906.db2.gz VCYMECXUSSEBHT-UPJWGTAASA-N 1 3 343.435 0.888 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001023130203 736525179 /nfs/dbraw/zinc/52/51/79/736525179.db2.gz DYASULJLAODDQX-UXLLHSPISA-N 1 3 344.459 0.877 20 0 ECADHO O=C(NC[C@H]1CCCN(CCn2cncn2)C1)C12CCC[NH+]1CCC2 ZINC001023467217 736877497 /nfs/dbraw/zinc/87/74/97/736877497.db2.gz ZUDBQRQSOYTMMF-MRXNPFEDSA-N 1 3 346.479 0.735 20 0 ECADHO CCn1nncc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001087246285 737095827 /nfs/dbraw/zinc/09/58/27/737095827.db2.gz IDTXRYVLPQLFHC-PMPSAXMXSA-N 1 3 348.495 0.966 20 0 ECADHO CCn1nncc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001087246285 737095830 /nfs/dbraw/zinc/09/58/30/737095830.db2.gz IDTXRYVLPQLFHC-PMPSAXMXSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001067462243 737305626 /nfs/dbraw/zinc/30/56/26/737305626.db2.gz FRPQMZWHUGQBCT-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067462243 737305631 /nfs/dbraw/zinc/30/56/31/737305631.db2.gz FRPQMZWHUGQBCT-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)n1 ZINC001087257025 737411047 /nfs/dbraw/zinc/41/10/47/737411047.db2.gz WQSHPAFQGMXHGQ-JSGCOSHPSA-N 1 3 333.436 0.782 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)n1 ZINC001087257025 737411048 /nfs/dbraw/zinc/41/10/48/737411048.db2.gz WQSHPAFQGMXHGQ-JSGCOSHPSA-N 1 3 333.436 0.782 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1 ZINC001087259253 737562202 /nfs/dbraw/zinc/56/22/02/737562202.db2.gz GXAGWQNZFYGKMI-SMDDNHRTSA-N 1 3 333.436 0.496 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1 ZINC001087259253 737562203 /nfs/dbraw/zinc/56/22/03/737562203.db2.gz GXAGWQNZFYGKMI-SMDDNHRTSA-N 1 3 333.436 0.496 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001024139123 737750906 /nfs/dbraw/zinc/75/09/06/737750906.db2.gz CYRLVCROWXRVDL-GDBMZVCRSA-N 1 3 336.484 0.730 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](CNCc2nncn2C)C1 ZINC001024156248 737783687 /nfs/dbraw/zinc/78/36/87/737783687.db2.gz JZFQMOKPTFYXQG-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](CNCc2nncn2C)C1 ZINC001024156248 737783689 /nfs/dbraw/zinc/78/36/89/737783689.db2.gz JZFQMOKPTFYXQG-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024180185 737801667 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C[C@H](NC(=O)c1cnccc1N(C)C)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025596694 739760689 /nfs/dbraw/zinc/76/06/89/739760689.db2.gz GDKFNUZXTWZXFU-STQMWFEESA-N 1 3 333.436 0.463 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025809047 739976585 /nfs/dbraw/zinc/97/65/85/739976585.db2.gz VCNYNSIHZUBELB-BQJWPVKWSA-N 1 3 348.491 0.528 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025809047 739976586 /nfs/dbraw/zinc/97/65/86/739976586.db2.gz VCNYNSIHZUBELB-BQJWPVKWSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026043612 740335958 /nfs/dbraw/zinc/33/59/58/740335958.db2.gz TXAGUUAYRHSWBQ-CGSPGFDNSA-N 1 3 344.463 0.154 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026043612 740335965 /nfs/dbraw/zinc/33/59/65/740335965.db2.gz TXAGUUAYRHSWBQ-CGSPGFDNSA-N 1 3 344.463 0.154 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C[C@@H](O)c4ccc(F)cc4)C[C@H]32)C1 ZINC001026145998 740420254 /nfs/dbraw/zinc/42/02/54/740420254.db2.gz FETARINPOSEUOB-LHKMKVQPSA-N 1 3 347.434 0.857 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C[C@@H](O)c4ccc(F)cc4)C[C@H]32)C1 ZINC001026145998 740420256 /nfs/dbraw/zinc/42/02/56/740420256.db2.gz FETARINPOSEUOB-LHKMKVQPSA-N 1 3 347.434 0.857 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000974164291 741040386 /nfs/dbraw/zinc/04/03/86/741040386.db2.gz ZXBWKPLQWFDTOC-SIXLDLHFSA-N 1 3 348.491 0.576 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000974164286 741040497 /nfs/dbraw/zinc/04/04/97/741040497.db2.gz ZXBWKPLQWFDTOC-MXASKKJJSA-N 1 3 348.491 0.576 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020432780 751600879 /nfs/dbraw/zinc/60/08/79/751600879.db2.gz XPEVQYLTXMNRCE-BFYDXBDKSA-N 1 3 346.479 0.909 20 0 ECADHO Cn1cncc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001026364082 741060751 /nfs/dbraw/zinc/06/07/51/741060751.db2.gz CAFGRUXIJWIFBF-APHBMKBZSA-N 1 3 328.420 0.713 20 0 ECADHO Cn1nccc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]12 ZINC001026365337 741066206 /nfs/dbraw/zinc/06/62/06/741066206.db2.gz VGTPXJRILLWEFC-UHOFOFEASA-N 1 3 328.420 0.713 20 0 ECADHO Cn1nccc1CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]12 ZINC001026368210 741076490 /nfs/dbraw/zinc/07/64/90/741076490.db2.gz YBYZOFCSGBXCFL-KBRIMQKVSA-N 1 3 342.447 0.755 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000974277069 741222238 /nfs/dbraw/zinc/22/22/38/741222238.db2.gz NRYBTJUGRXMNLL-CWRNSKLLSA-N 1 3 336.480 0.433 20 0 ECADHO Cn1ncc(CN[C@@H]2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)n1 ZINC001026400411 741234668 /nfs/dbraw/zinc/23/46/68/741234668.db2.gz JHAVZIZMZNXANU-NUEKZKHPSA-N 1 3 344.463 0.238 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)nn1 ZINC001026890321 742031190 /nfs/dbraw/zinc/03/11/90/742031190.db2.gz IQCNBWRYBJQNNC-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC001026887951 742044729 /nfs/dbraw/zinc/04/47/29/742044729.db2.gz YOFDYQKFNBIPNY-CZUORRHYSA-N 1 3 347.463 0.764 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)nn2)C1)N(C)C ZINC001027068799 742425246 /nfs/dbraw/zinc/42/52/46/742425246.db2.gz DXBWBGRQIMPCSJ-ZFWWWQNUSA-N 1 3 335.452 0.764 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)nn1 ZINC001027064755 742434825 /nfs/dbraw/zinc/43/48/25/742434825.db2.gz KBZQYXSXHRHCIE-CABCVRRESA-N 1 3 347.463 0.765 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001027064977 742435437 /nfs/dbraw/zinc/43/54/37/742435437.db2.gz NZGSSQDLQCZTBB-DOTOQJQBSA-N 1 3 346.475 0.665 20 0 ECADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027144690 742755227 /nfs/dbraw/zinc/75/52/27/742755227.db2.gz JMCCEOFWXJYEBH-HNNXBMFYSA-N 1 3 349.479 0.469 20 0 ECADHO CCN1CC[C@@H](N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028931361 742890772 /nfs/dbraw/zinc/89/07/72/742890772.db2.gz PAQQKQMCYIOPTH-LSDHHAIUSA-N 1 3 334.464 0.141 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996822993 742919213 /nfs/dbraw/zinc/91/92/13/742919213.db2.gz RTDKQFVLQZCKEH-PSPFXIJKSA-N 1 3 349.475 0.467 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996951497 743069976 /nfs/dbraw/zinc/06/99/76/743069976.db2.gz GQUHIHGJDPXQQK-UHFFFAOYSA-N 1 3 347.463 0.908 20 0 ECADHO CCn1nncc1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996995313 743106038 /nfs/dbraw/zinc/10/60/38/743106038.db2.gz NHIKIJAOKAOHEP-AWEZNQCLSA-N 1 3 334.468 0.863 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001029003779 743161174 /nfs/dbraw/zinc/16/11/74/743161174.db2.gz PWSRMXWARAYLRF-CVEARBPZSA-N 1 3 334.468 0.591 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001029003779 743161180 /nfs/dbraw/zinc/16/11/80/743161180.db2.gz PWSRMXWARAYLRF-CVEARBPZSA-N 1 3 334.468 0.591 20 0 ECADHO NC(=O)c1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027217019 743191889 /nfs/dbraw/zinc/19/18/89/743191889.db2.gz DUDXWKREQOAMQE-MRXNPFEDSA-N 1 3 344.459 0.819 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001027217875 743195499 /nfs/dbraw/zinc/19/54/99/743195499.db2.gz RDOHGUYDLOCYKY-DOTOQJQBSA-N 1 3 348.491 0.674 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001027234844 743249003 /nfs/dbraw/zinc/24/90/03/743249003.db2.gz GJEWZOCXZPRZTN-ZBFHGGJFSA-N 1 3 334.468 0.628 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001027234844 743249007 /nfs/dbraw/zinc/24/90/07/743249007.db2.gz GJEWZOCXZPRZTN-ZBFHGGJFSA-N 1 3 334.468 0.628 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000975719405 743263766 /nfs/dbraw/zinc/26/37/66/743263766.db2.gz RKHLJIDGGYANHM-DZKIICNBSA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000975719405 743263771 /nfs/dbraw/zinc/26/37/71/743263771.db2.gz RKHLJIDGGYANHM-DZKIICNBSA-N 1 3 345.447 0.353 20 0 ECADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC000997307816 743471411 /nfs/dbraw/zinc/47/14/11/743471411.db2.gz WJPRGOUDQJDWHG-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001020588909 751851435 /nfs/dbraw/zinc/85/14/35/751851435.db2.gz QHEZZPSJDDZAAU-BPUTZDHNSA-N 1 3 332.448 0.464 20 0 ECADHO Cn1cc(CNCC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000997830215 743841373 /nfs/dbraw/zinc/84/13/73/743841373.db2.gz DTUMVCWGIQJNJY-INIZCTEOSA-N 1 3 334.468 0.484 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)n[nH]1 ZINC001020592630 751864003 /nfs/dbraw/zinc/86/40/03/751864003.db2.gz KNDBLVAPFUMDGI-XDQVBPFNSA-N 1 3 334.468 0.863 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)n[nH]1 ZINC001020592630 751864010 /nfs/dbraw/zinc/86/40/10/751864010.db2.gz KNDBLVAPFUMDGI-XDQVBPFNSA-N 1 3 334.468 0.863 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001020592657 751864156 /nfs/dbraw/zinc/86/41/56/751864156.db2.gz LGILCVPPZOWHHS-PYJNHQTQSA-N 1 3 332.452 0.617 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001020592657 751864168 /nfs/dbraw/zinc/86/41/68/751864168.db2.gz LGILCVPPZOWHHS-PYJNHQTQSA-N 1 3 332.452 0.617 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976546746 744070381 /nfs/dbraw/zinc/07/03/81/744070381.db2.gz OIMVLCNWEWDOHG-UUAJXVIYSA-N 1 3 348.491 0.386 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000976546746 744070382 /nfs/dbraw/zinc/07/03/82/744070382.db2.gz OIMVLCNWEWDOHG-UUAJXVIYSA-N 1 3 348.491 0.386 20 0 ECADHO CN1CCC[C@H]([NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000998269267 744088823 /nfs/dbraw/zinc/08/88/23/744088823.db2.gz LOMKTKXJISIXBX-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCO)C1)C1CCC1 ZINC000998271378 744090373 /nfs/dbraw/zinc/09/03/73/744090373.db2.gz XAEHGVHKUDFWHR-OLZOCXBDSA-N 1 3 337.386 0.832 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](NCCO)C2)CC1 ZINC000998282514 744097021 /nfs/dbraw/zinc/09/70/21/744097021.db2.gz AMYADBYGXIIMJM-CHWSQXEVSA-N 1 3 337.386 0.690 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@H]32)CC[N@@H+]1C ZINC000976602424 744127163 /nfs/dbraw/zinc/12/71/63/744127163.db2.gz QXHGQJSFAOOCGS-RLVGIJBXSA-N 1 3 348.491 0.240 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@H]32)CC[N@H+]1C ZINC000976602424 744127165 /nfs/dbraw/zinc/12/71/65/744127165.db2.gz QXHGQJSFAOOCGS-RLVGIJBXSA-N 1 3 348.491 0.240 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@H]21 ZINC000976927803 744499766 /nfs/dbraw/zinc/49/97/66/744499766.db2.gz RADPUMUJDGZNIQ-DHTYTYEMSA-N 1 3 345.447 0.031 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@H]21 ZINC000976927803 744499767 /nfs/dbraw/zinc/49/97/67/744499767.db2.gz RADPUMUJDGZNIQ-DHTYTYEMSA-N 1 3 345.447 0.031 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CCNC(=O)C2CC2)CC1 ZINC001167901679 751934268 /nfs/dbraw/zinc/93/42/68/751934268.db2.gz VTIPWRZYAPILCD-UHFFFAOYSA-N 1 3 347.463 0.663 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)C1CCC1 ZINC000999381340 744667917 /nfs/dbraw/zinc/66/79/17/744667917.db2.gz ZFYPCZBDOADWQV-GDBMZVCRSA-N 1 3 346.479 0.830 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC000999401904 744678075 /nfs/dbraw/zinc/67/80/75/744678075.db2.gz AEYQXNROSFZHNV-QQFBHYJXSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC(NCc2cnnn2C)C1 ZINC000999402504 744678147 /nfs/dbraw/zinc/67/81/47/744678147.db2.gz GFKHVEXCDQJGID-UHFFFAOYSA-N 1 3 334.468 0.626 20 0 ECADHO CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC(NCc2cnnn2C)C1 ZINC000999402504 744678149 /nfs/dbraw/zinc/67/81/49/744678149.db2.gz GFKHVEXCDQJGID-UHFFFAOYSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC000999403582 744679239 /nfs/dbraw/zinc/67/92/39/744679239.db2.gz RKNDAHJRUQPQAV-OOHWJJMZSA-N 1 3 346.475 0.806 20 0 ECADHO COCCN1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977306654 744850840 /nfs/dbraw/zinc/85/08/40/744850840.db2.gz ZCKWDSQPSXEPDB-HNNXBMFYSA-N 1 3 337.468 0.531 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999846437 744939014 /nfs/dbraw/zinc/93/90/14/744939014.db2.gz DVAOTQDRGUGVPR-AWEZNQCLSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC000999871791 744975991 /nfs/dbraw/zinc/97/59/91/744975991.db2.gz ZFPKBWHORSHQKR-UWTIGNOOSA-N 1 3 332.448 0.815 20 0 ECADHO Cn1nccc1CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977461210 745043681 /nfs/dbraw/zinc/04/36/81/745043681.db2.gz BLQUXZMFFGRHCP-MRXNPFEDSA-N 1 3 345.491 0.885 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC000983705694 745083236 /nfs/dbraw/zinc/08/32/36/745083236.db2.gz ZKEGBVZDCFHKLR-RRCSTGOVSA-N 1 3 347.463 0.810 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000983705694 745083243 /nfs/dbraw/zinc/08/32/43/745083243.db2.gz ZKEGBVZDCFHKLR-RRCSTGOVSA-N 1 3 347.463 0.810 20 0 ECADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC000983716431 745093549 /nfs/dbraw/zinc/09/35/49/745093549.db2.gz OYXIFZOXRMHUGM-MWQQHZPXSA-N 1 3 347.463 0.268 20 0 ECADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC000983716431 745093553 /nfs/dbraw/zinc/09/35/53/745093553.db2.gz OYXIFZOXRMHUGM-MWQQHZPXSA-N 1 3 347.463 0.268 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029153474 745175725 /nfs/dbraw/zinc/17/57/25/745175725.db2.gz OHQZQJDACDVCAA-XJKSGUPXSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N(C)CCn3cncn3)C2)CC[N@@H+]1C ZINC001027545617 745292573 /nfs/dbraw/zinc/29/25/73/745292573.db2.gz DOXOCLXYLGEIRY-YESZJQIVSA-N 1 3 348.495 0.931 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N(C)CCn3cncn3)C2)CC[N@H+]1C ZINC001027545617 745292577 /nfs/dbraw/zinc/29/25/77/745292577.db2.gz DOXOCLXYLGEIRY-YESZJQIVSA-N 1 3 348.495 0.931 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001000314486 745422450 /nfs/dbraw/zinc/42/24/50/745422450.db2.gz XUYCDCAWLAWRLF-UONOGXRCSA-N 1 3 333.436 0.449 20 0 ECADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)N(C)CC2CC2)CC1 ZINC001203437660 745479610 /nfs/dbraw/zinc/47/96/10/745479610.db2.gz QGBVHBRWWWKXBW-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC000977817558 745535981 /nfs/dbraw/zinc/53/59/81/745535981.db2.gz PCYJSDXMTXMQNT-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC000977817558 745535982 /nfs/dbraw/zinc/53/59/82/745535982.db2.gz PCYJSDXMTXMQNT-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO O=C(NC[C@@H]1CCCN1CCCN1CCCC1=O)C12CC[NH+](CC1)C2 ZINC001028268558 752014893 /nfs/dbraw/zinc/01/48/93/752014893.db2.gz VOQAWCZMVRLXDI-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO Cc1nc([C@@H](C)N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC001000713760 745716505 /nfs/dbraw/zinc/71/65/05/745716505.db2.gz WWZOSIOEMWQTAC-OCCSQVGLSA-N 1 3 332.452 0.851 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]2CN(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000978073254 745880987 /nfs/dbraw/zinc/88/09/87/745880987.db2.gz VROJNESDDMDNFW-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CC(C)c1nc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000916324 745895838 /nfs/dbraw/zinc/89/58/38/745895838.db2.gz GRBJLWZSNYRKGP-KGLIPLIRSA-N 1 3 334.468 0.960 20 0 ECADHO CC(C)c1nc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000916324 745895840 /nfs/dbraw/zinc/89/58/40/745895840.db2.gz GRBJLWZSNYRKGP-KGLIPLIRSA-N 1 3 334.468 0.960 20 0 ECADHO COc1coc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001000929148 745907181 /nfs/dbraw/zinc/90/71/81/745907181.db2.gz PDPZLWDRYZDOQS-ZIAGYGMSSA-N 1 3 349.431 0.681 20 0 ECADHO COc1coc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001000929148 745907183 /nfs/dbraw/zinc/90/71/83/745907183.db2.gz PDPZLWDRYZDOQS-ZIAGYGMSSA-N 1 3 349.431 0.681 20 0 ECADHO O=C(NCC1CCN([C@@H]2CCCNC2=O)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001001413094 746353264 /nfs/dbraw/zinc/35/32/64/746353264.db2.gz JIEWTODWVXRXNA-DLBZAZTESA-N 1 3 348.491 0.435 20 0 ECADHO Cn1ccc(CN2CC=C(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1=O ZINC001001451926 746390451 /nfs/dbraw/zinc/39/04/51/746390451.db2.gz PATLGMPJAJSUCX-KRWDZBQOSA-N 1 3 344.459 0.585 20 0 ECADHO Cn1ccc(CN2CC=C(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1=O ZINC001001451926 746390459 /nfs/dbraw/zinc/39/04/59/746390459.db2.gz PATLGMPJAJSUCX-KRWDZBQOSA-N 1 3 344.459 0.585 20 0 ECADHO CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978556475 746437004 /nfs/dbraw/zinc/43/70/04/746437004.db2.gz KSZFJFZGEUDALA-HSPZGVKFSA-N 1 3 333.476 0.944 20 0 ECADHO CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978556475 746437006 /nfs/dbraw/zinc/43/70/06/746437006.db2.gz KSZFJFZGEUDALA-HSPZGVKFSA-N 1 3 333.476 0.944 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000984886373 747046829 /nfs/dbraw/zinc/04/68/29/747046829.db2.gz ZHXLQTVJLFRZGJ-KLHDSHLOSA-N 1 3 336.480 0.622 20 0 ECADHO CN1CCC[C@@H](N2[C@@H]3CC[C@H]2CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C3)C1=O ZINC001029552983 747451891 /nfs/dbraw/zinc/45/18/91/747451891.db2.gz HNIXYLMXGMHBTB-MWDXBVQZSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCC[C@@H](N2[C@@H]3CC[C@H]2CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C3)C1=O ZINC001029552983 747451897 /nfs/dbraw/zinc/45/18/97/747451897.db2.gz HNIXYLMXGMHBTB-MWDXBVQZSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCC[C@@H](N2[C@@H]3CC[C@H]2CN(C(=O)C[C@H]2CC[N@H+](C)C2)C3)C1=O ZINC001029552986 747452395 /nfs/dbraw/zinc/45/23/95/747452395.db2.gz HNIXYLMXGMHBTB-WCXIOVBPSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCC[C@@H](N2[C@@H]3CC[C@H]2CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C3)C1=O ZINC001029552986 747452398 /nfs/dbraw/zinc/45/23/98/747452398.db2.gz HNIXYLMXGMHBTB-WCXIOVBPSA-N 1 3 348.491 0.624 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC000985149259 747468579 /nfs/dbraw/zinc/46/85/79/747468579.db2.gz MZQQUFNXNSHHMO-YHUYYLMFSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C[C@H]1CCCN1C(=O)CN1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001002527386 747474502 /nfs/dbraw/zinc/47/45/02/747474502.db2.gz KAAJHMHURRAOBX-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CCCN1C(=O)CN1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001002527386 747474506 /nfs/dbraw/zinc/47/45/06/747474506.db2.gz KAAJHMHURRAOBX-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000985161538 747490813 /nfs/dbraw/zinc/49/08/13/747490813.db2.gz YTEWLKNWMJCQKT-VNQPRFMTSA-N 1 3 347.463 0.790 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000985161538 747490815 /nfs/dbraw/zinc/49/08/15/747490815.db2.gz YTEWLKNWMJCQKT-VNQPRFMTSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000979324041 747612367 /nfs/dbraw/zinc/61/23/67/747612367.db2.gz ZWQWQIUFIPJOHQ-RHSMWYFYSA-N 1 3 349.479 0.610 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@H]2CCc3ncnn32)CC1 ZINC000985332264 747716836 /nfs/dbraw/zinc/71/68/36/747716836.db2.gz KYFLVIHVCRSLQS-CVEARBPZSA-N 1 3 346.479 0.782 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@H]2CCc3ncnn32)CC1 ZINC000985332264 747716839 /nfs/dbraw/zinc/71/68/39/747716839.db2.gz KYFLVIHVCRSLQS-CVEARBPZSA-N 1 3 346.479 0.782 20 0 ECADHO C[C@H](NCc1cccnc1)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979437182 747837219 /nfs/dbraw/zinc/83/72/19/747837219.db2.gz AIQVOQNTUJYATN-DOTOQJQBSA-N 1 3 344.459 0.883 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001002868627 747898171 /nfs/dbraw/zinc/89/81/71/747898171.db2.gz DUSVUNVTTODKCQ-UHFFFAOYSA-N 1 3 348.491 0.533 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000985470978 748201509 /nfs/dbraw/zinc/20/15/09/748201509.db2.gz RJLAEFLVKHFEST-HOTGVXAUSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000985470978 748201512 /nfs/dbraw/zinc/20/15/12/748201512.db2.gz RJLAEFLVKHFEST-HOTGVXAUSA-N 1 3 336.480 0.480 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCCNC2=O)C1)C1CCC1 ZINC001029755721 748263918 /nfs/dbraw/zinc/26/39/18/748263918.db2.gz SGPMIRUOGBYGDC-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCCNC2=O)C1)C1CCC1 ZINC001029755721 748263925 /nfs/dbraw/zinc/26/39/25/748263925.db2.gz SGPMIRUOGBYGDC-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCCNC3=O)C2)CCC1 ZINC001029756198 748266112 /nfs/dbraw/zinc/26/61/12/748266112.db2.gz RTFWZFBBZAUBQI-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)[C@@H]3CCCNC3=O)C2)CCC1 ZINC001029756198 748266114 /nfs/dbraw/zinc/26/61/14/748266114.db2.gz RTFWZFBBZAUBQI-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985497968 748302157 /nfs/dbraw/zinc/30/21/57/748302157.db2.gz DGNQHUAILAVJDN-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985497968 748302163 /nfs/dbraw/zinc/30/21/63/748302163.db2.gz DGNQHUAILAVJDN-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001003517949 748636215 /nfs/dbraw/zinc/63/62/15/748636215.db2.gz LHHQPSDBMSZEIZ-OAHLLOKOSA-N 1 3 348.447 0.814 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001003627523 748741416 /nfs/dbraw/zinc/74/14/16/748741416.db2.gz FWMCBRWHCGAJKW-ZBFHGGJFSA-N 1 3 346.479 0.830 20 0 ECADHO C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001088380281 748969050 /nfs/dbraw/zinc/96/90/50/748969050.db2.gz DKUAKYGBUHGUSM-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001051342200 761920189 /nfs/dbraw/zinc/92/01/89/761920189.db2.gz ZRSHSYZKHXSSFR-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCN(C)C1=O ZINC001029887546 749417058 /nfs/dbraw/zinc/41/70/58/749417058.db2.gz DMYWSZKJIJDIFJ-GJZGRUSLSA-N 1 3 334.464 0.093 20 0 ECADHO C[N@H+](C[C@@H]1CCc2ncnn21)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405866 749505806 /nfs/dbraw/zinc/50/58/06/749505806.db2.gz LRGMULHMPAWDSI-GJZGRUSLSA-N 1 3 332.452 0.394 20 0 ECADHO C[N@@H+](C[C@@H]1CCc2ncnn21)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405866 749505809 /nfs/dbraw/zinc/50/58/09/749505809.db2.gz LRGMULHMPAWDSI-GJZGRUSLSA-N 1 3 332.452 0.394 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)n1 ZINC000986351525 749838807 /nfs/dbraw/zinc/83/88/07/749838807.db2.gz CGDOZHMUGWJPCX-DYVFJYSZSA-N 1 3 348.495 0.958 20 0 ECADHO CCn1cc(CNC[C@H]2C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC000980690406 749975813 /nfs/dbraw/zinc/97/58/13/749975813.db2.gz QAIQZZJXYPRXIF-LSDHHAIUSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001005070441 750200445 /nfs/dbraw/zinc/20/04/45/750200445.db2.gz TVRCUMLRDSKXRP-HIFRSBDPSA-N 1 3 345.447 0.401 20 0 ECADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@@H]2[C@H](C1)OCCN2CC(=O)NC ZINC001167826037 750272093 /nfs/dbraw/zinc/27/20/93/750272093.db2.gz VNUWRYAZMQTUGO-ZACQAIPSSA-N 1 3 340.512 0.628 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000981485440 750737243 /nfs/dbraw/zinc/73/72/43/750737243.db2.gz IVYHXCMLQQUFPK-CABCVRRESA-N 1 3 347.463 0.900 20 0 ECADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987359302 750753918 /nfs/dbraw/zinc/75/39/18/750753918.db2.gz NEXXGEISGUAUIP-GDBMZVCRSA-N 1 3 331.464 0.903 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCN(CCn3cncn3)CC2)C1 ZINC001005990042 750892090 /nfs/dbraw/zinc/89/20/90/750892090.db2.gz CPNXNJOABYRDRO-OAHLLOKOSA-N 1 3 334.468 0.543 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCN(CCn3cncn3)CC2)C1 ZINC001005990042 750892099 /nfs/dbraw/zinc/89/20/99/750892099.db2.gz CPNXNJOABYRDRO-OAHLLOKOSA-N 1 3 334.468 0.543 20 0 ECADHO Cn1cc(CN2CC[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001028545472 753123827 /nfs/dbraw/zinc/12/38/27/753123827.db2.gz QXDXFELMODIURY-WMLDXEAASA-N 1 3 331.464 0.700 20 0 ECADHO CN(CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000982892817 754104836 /nfs/dbraw/zinc/10/48/36/754104836.db2.gz DVXBEUOMLBGHEE-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CN(CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000982892817 754104840 /nfs/dbraw/zinc/10/48/40/754104840.db2.gz DVXBEUOMLBGHEE-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO Cc1ncc(CN[C@@H]2C[C@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000989682220 754301340 /nfs/dbraw/zinc/30/13/40/754301340.db2.gz HRTLSZFMKJCSJG-XJKSGUPXSA-N 1 3 329.448 0.960 20 0 ECADHO Cc1ncc(CN[C@H]2C[C@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000989682217 754302088 /nfs/dbraw/zinc/30/20/88/754302088.db2.gz HRTLSZFMKJCSJG-BBRMVZONSA-N 1 3 329.448 0.960 20 0 ECADHO CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168320710 754512812 /nfs/dbraw/zinc/51/28/12/754512812.db2.gz LWFKOUWYMMZJRD-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1N(CC(=O)N1CCCC1)CC2 ZINC000990011636 754647194 /nfs/dbraw/zinc/64/71/94/754647194.db2.gz CMXKQYWXUMHURM-GPMSIDNRSA-N 1 3 348.491 0.816 20 0 ECADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1N(CC(=O)N1CCCC1)CC2 ZINC000990011636 754647199 /nfs/dbraw/zinc/64/71/99/754647199.db2.gz CMXKQYWXUMHURM-GPMSIDNRSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2 ZINC000990011636 754647203 /nfs/dbraw/zinc/64/72/03/754647203.db2.gz CMXKQYWXUMHURM-GPMSIDNRSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=O)N1CCCC1)CC2 ZINC000990011636 754647206 /nfs/dbraw/zinc/64/72/06/754647206.db2.gz CMXKQYWXUMHURM-GPMSIDNRSA-N 1 3 348.491 0.816 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC001168344482 754759283 /nfs/dbraw/zinc/75/92/83/754759283.db2.gz CGQXELXYZMFILE-OAHLLOKOSA-N 1 3 348.495 0.982 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000990276433 754931410 /nfs/dbraw/zinc/93/14/10/754931410.db2.gz JDBKRLKBHSOKQL-IRXDYDNUSA-N 1 3 348.491 0.815 20 0 ECADHO COc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)n1 ZINC000990278402 754934038 /nfs/dbraw/zinc/93/40/38/754934038.db2.gz RKSZCALDDVPNQB-MRXNPFEDSA-N 1 3 347.463 0.968 20 0 ECADHO Cc1noc(CCCN2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001009518715 754970414 /nfs/dbraw/zinc/97/04/14/754970414.db2.gz SSIHAVLVJNVGTA-OAHLLOKOSA-N 1 3 335.452 0.987 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(CC2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000925331469 755023695 /nfs/dbraw/zinc/02/36/95/755023695.db2.gz FLJJAIVHEHCPBQ-OAHLLOKOSA-N 1 3 338.452 0.359 20 0 ECADHO CCN1CC[C@@H](N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778890 755085499 /nfs/dbraw/zinc/08/54/99/755085499.db2.gz NVDSRZZUWIYSMS-GOEBONIOSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001010722292 756443680 /nfs/dbraw/zinc/44/36/80/756443680.db2.gz HKXNYIMDKKOMMU-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001010722292 756443684 /nfs/dbraw/zinc/44/36/84/756443684.db2.gz HKXNYIMDKKOMMU-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO Cn1cc(CCN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cn1 ZINC001076465463 756554489 /nfs/dbraw/zinc/55/44/89/756554489.db2.gz GVKCOYBQBFWVMU-DLBZAZTESA-N 1 3 343.475 0.591 20 0 ECADHO Cn1cc(CCN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cn1 ZINC001076567861 756666949 /nfs/dbraw/zinc/66/69/49/756666949.db2.gz KZGLHACVDMJRRM-YESZJQIVSA-N 1 3 331.464 0.447 20 0 ECADHO Cn1cc(CCN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cn1 ZINC001076567861 756666954 /nfs/dbraw/zinc/66/69/54/756666954.db2.gz KZGLHACVDMJRRM-YESZJQIVSA-N 1 3 331.464 0.447 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864273 757222228 /nfs/dbraw/zinc/22/22/28/757222228.db2.gz VDTGEFIOBGXXKJ-YYIAUSFCSA-N 1 3 348.491 0.338 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864273 757222229 /nfs/dbraw/zinc/22/22/29/757222229.db2.gz VDTGEFIOBGXXKJ-YYIAUSFCSA-N 1 3 348.491 0.338 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001011264362 757332458 /nfs/dbraw/zinc/33/24/58/757332458.db2.gz BFGAPBQEVRBOIB-HZPDHXFCSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)C1 ZINC001021380792 757371687 /nfs/dbraw/zinc/37/16/87/757371687.db2.gz VZPMFVDMFGKYQK-XYTVBORESA-N 1 3 346.479 0.732 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)C1 ZINC001021380792 757371701 /nfs/dbraw/zinc/37/17/01/757371701.db2.gz VZPMFVDMFGKYQK-XYTVBORESA-N 1 3 346.479 0.732 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001011329586 757532932 /nfs/dbraw/zinc/53/29/32/757532932.db2.gz SRYZHTLREGFFRH-OAHLLOKOSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H](CCNC(=O)[C@H](C1CC1)N(C)C)NC(=O)CCC[NH+](C)C ZINC001076956119 757742089 /nfs/dbraw/zinc/74/20/89/757742089.db2.gz FXTYPVWLOOTNHJ-BBRMVZONSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](N[C@H](C)C(N)=O)C(C)(C)C2)CC1 ZINC000996477003 757758815 /nfs/dbraw/zinc/75/88/15/757758815.db2.gz UOIHJCCHFAUCIQ-UKRRQHHQSA-N 1 3 338.496 0.807 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1)N(C)C ZINC001049039926 757759098 /nfs/dbraw/zinc/75/90/98/757759098.db2.gz WHICBGSUHZKJRV-OWCLPIDISA-N 1 3 334.468 0.255 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1)N(C)C ZINC001049039926 757759107 /nfs/dbraw/zinc/75/91/07/757759107.db2.gz WHICBGSUHZKJRV-OWCLPIDISA-N 1 3 334.468 0.255 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2cnn(C)c2)C1 ZINC001051646837 762572991 /nfs/dbraw/zinc/57/29/91/762572991.db2.gz DHLZAVAMHHUVQC-DLBZAZTESA-N 1 3 349.479 0.612 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2cnn(C)c2)C1 ZINC001051646837 762572994 /nfs/dbraw/zinc/57/29/94/762572994.db2.gz DHLZAVAMHHUVQC-DLBZAZTESA-N 1 3 349.479 0.612 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)C[C@@H]3C2)C1 ZINC001049056185 757797744 /nfs/dbraw/zinc/79/77/44/757797744.db2.gz UVXXDCNLJSBBCR-IYBDPMFKSA-N 1 3 346.479 0.400 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)C1 ZINC001049056185 757797749 /nfs/dbraw/zinc/79/77/49/757797749.db2.gz UVXXDCNLJSBBCR-IYBDPMFKSA-N 1 3 346.479 0.400 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001049064449 757852704 /nfs/dbraw/zinc/85/27/04/757852704.db2.gz GLJZGMKXCOQBCF-FZKCQIBNSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001049064449 757852714 /nfs/dbraw/zinc/85/27/14/757852714.db2.gz GLJZGMKXCOQBCF-FZKCQIBNSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001049064452 757853059 /nfs/dbraw/zinc/85/30/59/757853059.db2.gz GLJZGMKXCOQBCF-XUWVNRHRSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001049064452 757853070 /nfs/dbraw/zinc/85/30/70/757853070.db2.gz GLJZGMKXCOQBCF-XUWVNRHRSA-N 1 3 336.480 0.338 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001049083805 757917085 /nfs/dbraw/zinc/91/70/85/757917085.db2.gz UAGFEWLTFNDPSL-KFWWJZLASA-N 1 3 345.447 0.259 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001049083805 757917091 /nfs/dbraw/zinc/91/70/91/757917091.db2.gz UAGFEWLTFNDPSL-KFWWJZLASA-N 1 3 345.447 0.259 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022077318 758242438 /nfs/dbraw/zinc/24/24/38/758242438.db2.gz OJCVRSBABPSPJR-APIJFGDWSA-N 1 3 332.452 0.426 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001022077318 758242444 /nfs/dbraw/zinc/24/24/44/758242444.db2.gz OJCVRSBABPSPJR-APIJFGDWSA-N 1 3 332.452 0.426 20 0 ECADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996618837 758256513 /nfs/dbraw/zinc/25/65/13/758256513.db2.gz GHPVLTKYTYPCJE-CVEARBPZSA-N 1 3 347.463 0.364 20 0 ECADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000996618837 758256519 /nfs/dbraw/zinc/25/65/19/758256519.db2.gz GHPVLTKYTYPCJE-CVEARBPZSA-N 1 3 347.463 0.364 20 0 ECADHO O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077128785 758267543 /nfs/dbraw/zinc/26/75/43/758267543.db2.gz DWHOPPRCGBNGKQ-IXDOHACOSA-N 1 3 337.464 0.201 20 0 ECADHO O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001077128785 758267548 /nfs/dbraw/zinc/26/75/48/758267548.db2.gz DWHOPPRCGBNGKQ-IXDOHACOSA-N 1 3 337.464 0.201 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022120139 758303227 /nfs/dbraw/zinc/30/32/27/758303227.db2.gz LDFPNVPAQJYADA-QXSJWSMHSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022120139 758303236 /nfs/dbraw/zinc/30/32/36/758303236.db2.gz LDFPNVPAQJYADA-QXSJWSMHSA-N 1 3 334.420 0.583 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001022120367 758303306 /nfs/dbraw/zinc/30/33/06/758303306.db2.gz LZDKJHTTXKWPKN-TWMKSMIVSA-N 1 3 337.464 0.513 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049234184 758400453 /nfs/dbraw/zinc/40/04/53/758400453.db2.gz YMZCKSAMBCKUFG-FZKCQIBNSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049234184 758400459 /nfs/dbraw/zinc/40/04/59/758400459.db2.gz YMZCKSAMBCKUFG-FZKCQIBNSA-N 1 3 336.480 0.515 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1)N(C)C ZINC001051665863 762635090 /nfs/dbraw/zinc/63/50/90/762635090.db2.gz YBYYJDSLEDWENS-SJORKVTESA-N 1 3 341.496 0.816 20 0 ECADHO CN(C)[C@@H](C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001060320002 762635100 /nfs/dbraw/zinc/63/51/00/762635100.db2.gz JYKQLJCTGVEHGT-RHSMWYFYSA-N 1 3 338.496 0.633 20 0 ECADHO O=C(NCCNCc1ccc(Cl)nc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780019 758632181 /nfs/dbraw/zinc/63/21/81/758632181.db2.gz UTUICMVEJHAYCN-KGLIPLIRSA-N 1 3 338.839 0.804 20 0 ECADHO O=C(NCCNCc1ccc(Cl)nc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780019 758632185 /nfs/dbraw/zinc/63/21/85/758632185.db2.gz UTUICMVEJHAYCN-KGLIPLIRSA-N 1 3 338.839 0.804 20 0 ECADHO COc1nccc(CN[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001022711990 759025005 /nfs/dbraw/zinc/02/50/05/759025005.db2.gz IAAGHYXXSGLJNX-AEGPPILISA-N 1 3 333.436 0.706 20 0 ECADHO COc1nccc(CN[C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001022711990 759025013 /nfs/dbraw/zinc/02/50/13/759025013.db2.gz IAAGHYXXSGLJNX-AEGPPILISA-N 1 3 333.436 0.706 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)C1 ZINC001022713225 759027719 /nfs/dbraw/zinc/02/77/19/759027719.db2.gz IGVMDLCWTXNZJU-AIANPOQGSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001022719520 759039167 /nfs/dbraw/zinc/03/91/67/759039167.db2.gz LGILCVPPZOWHHS-ZZVYKPCYSA-N 1 3 332.452 0.617 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001022719520 759039178 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20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001053357384 766025679 /nfs/dbraw/zinc/02/56/79/766025679.db2.gz TWNYDXOILDPOEV-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001053437530 766133441 /nfs/dbraw/zinc/13/34/41/766133441.db2.gz QOCDTYGDJYNWLW-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001053437530 766133444 /nfs/dbraw/zinc/13/34/44/766133444.db2.gz QOCDTYGDJYNWLW-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O)C1CCC1 ZINC001045794947 766379420 /nfs/dbraw/zinc/37/94/20/766379420.db2.gz IHBUTYPSCHFBEY-IXDOHACOSA-N 1 3 348.491 0.815 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCNC1=O)C1CCC1 ZINC001045794947 766379430 /nfs/dbraw/zinc/37/94/30/766379430.db2.gz IHBUTYPSCHFBEY-IXDOHACOSA-N 1 3 348.491 0.815 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)NCC1CCC1 ZINC001127254391 766520981 /nfs/dbraw/zinc/52/09/81/766520981.db2.gz FAZGFTIJUOEQKF-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)NCC1CCC1 ZINC001127254391 766520983 /nfs/dbraw/zinc/52/09/83/766520983.db2.gz FAZGFTIJUOEQKF-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089593780 766576550 /nfs/dbraw/zinc/57/65/50/766576550.db2.gz SYJQTQSXGFPLPD-GDBMZVCRSA-N 1 3 332.452 0.503 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089593780 766576554 /nfs/dbraw/zinc/57/65/54/766576554.db2.gz SYJQTQSXGFPLPD-GDBMZVCRSA-N 1 3 332.452 0.503 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089595815 766592803 /nfs/dbraw/zinc/59/28/03/766592803.db2.gz QBRBORZNSZWCOW-DOTOQJQBSA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089595815 766592807 /nfs/dbraw/zinc/59/28/07/766592807.db2.gz QBRBORZNSZWCOW-DOTOQJQBSA-N 1 3 346.479 0.893 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCCF)C2)CC1 ZINC001046009936 766631459 /nfs/dbraw/zinc/63/14/59/766631459.db2.gz GHXNRRKLQQVROH-HZPDHXFCSA-N 1 3 326.460 0.659 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001046009936 766631463 /nfs/dbraw/zinc/63/14/63/766631463.db2.gz GHXNRRKLQQVROH-HZPDHXFCSA-N 1 3 326.460 0.659 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707532 766767259 /nfs/dbraw/zinc/76/72/59/766767259.db2.gz WMIKXJXNNQRCFO-HUUCEWRRSA-N 1 3 348.491 0.849 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)[NH+](C)C ZINC000938827244 767125743 /nfs/dbraw/zinc/12/57/43/767125743.db2.gz QUNQQOXHUKTUBO-VYDXJSESSA-N 1 3 338.496 0.632 20 0 ECADHO CCOCCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293507 767173979 /nfs/dbraw/zinc/17/39/79/767173979.db2.gz TWMUWLHAAGPOFX-BRWVUGGUSA-N 1 3 339.480 0.570 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCCCCCC2)CC[N@@H+]1C ZINC001127643611 767389316 /nfs/dbraw/zinc/38/93/16/767389316.db2.gz CQPXJNHWCRUAPV-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCCCCCC2)CC[N@H+]1C ZINC001127643611 767389326 /nfs/dbraw/zinc/38/93/26/767389326.db2.gz CQPXJNHWCRUAPV-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463092 767455629 /nfs/dbraw/zinc/45/56/29/767455629.db2.gz QECTZOCVKAFHFM-LSDHHAIUSA-N 1 3 347.463 0.649 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463092 767455634 /nfs/dbraw/zinc/45/56/34/767455634.db2.gz QECTZOCVKAFHFM-LSDHHAIUSA-N 1 3 347.463 0.649 20 0 ECADHO CCc1nnc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1C ZINC001106622617 768522575 /nfs/dbraw/zinc/52/25/75/768522575.db2.gz HQKIVAZSUQQHGY-ZIAGYGMSSA-N 1 3 336.484 0.513 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106663052 768573492 /nfs/dbraw/zinc/57/34/92/768573492.db2.gz PNUBPYQGBWBJRR-QLFBSQMISA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106662781 768573680 /nfs/dbraw/zinc/57/36/80/768573680.db2.gz CQASGIBRGNODFM-RBSFLKMASA-N 1 3 345.509 0.199 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1)N(C)C ZINC001106674094 768584826 /nfs/dbraw/zinc/58/48/26/768584826.db2.gz RDMGHTCSGWIWHE-KFWWJZLASA-N 1 3 326.485 0.489 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC001106705011 768693080 /nfs/dbraw/zinc/69/30/80/768693080.db2.gz NEHBWOBTJAQABG-NQBHXWOUSA-N 1 3 348.369 0.950 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)Cc1c[nH]cn1 ZINC001018274958 769014778 /nfs/dbraw/zinc/01/47/78/769014778.db2.gz BDHKBIHEKFFXDQ-UONOGXRCSA-N 1 3 345.447 0.544 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001018627302 769675837 /nfs/dbraw/zinc/67/58/37/769675837.db2.gz FCCHNJXRGNQGMQ-JKSUJKDBSA-N 1 3 330.432 0.570 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1 ZINC001018634516 769686957 /nfs/dbraw/zinc/68/69/57/769686957.db2.gz INXOGYKILWVUPB-KBPBESRZSA-N 1 3 349.483 0.255 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000993880558 769778587 /nfs/dbraw/zinc/77/85/87/769778587.db2.gz NORVFXCOIAROKF-DLBZAZTESA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000993871001 769822207 /nfs/dbraw/zinc/82/22/07/769822207.db2.gz VERWCWHGDKCTBO-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000993871001 769822216 /nfs/dbraw/zinc/82/22/16/769822216.db2.gz VERWCWHGDKCTBO-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1)N(C)C ZINC000993933185 769850720 /nfs/dbraw/zinc/85/07/20/769850720.db2.gz SBQNNCCSHCWNLM-GDBMZVCRSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1)N(C)C ZINC000993933185 769850734 /nfs/dbraw/zinc/85/07/34/769850734.db2.gz SBQNNCCSHCWNLM-GDBMZVCRSA-N 1 3 338.496 0.632 20 0 ECADHO CN1CC[C@H](N[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001019030893 770603508 /nfs/dbraw/zinc/60/35/08/770603508.db2.gz YTMJNJJIWKBLJL-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C3)CCC1 ZINC001019107876 770804057 /nfs/dbraw/zinc/80/40/57/770804057.db2.gz AHPNIIZQYVVUJR-OAHLLOKOSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C3)CCC1 ZINC001019107876 770804069 /nfs/dbraw/zinc/80/40/69/770804069.db2.gz AHPNIIZQYVVUJR-OAHLLOKOSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001019108269 770804907 /nfs/dbraw/zinc/80/49/07/770804907.db2.gz KZXFXMCTYJHIOK-JKSUJKDBSA-N 1 3 348.491 0.482 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001078411260 782895021 /nfs/dbraw/zinc/89/50/21/782895021.db2.gz IYMCTAFLYWYPQF-IAGOWNOFSA-N 1 3 349.479 0.467 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c(C)n1 ZINC001019380657 771227864 /nfs/dbraw/zinc/22/78/64/771227864.db2.gz IIZAJZULQDNQRG-BBRMVZONSA-N 1 3 347.463 0.968 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)c(C)n1 ZINC001019380657 771227866 /nfs/dbraw/zinc/22/78/66/771227866.db2.gz IIZAJZULQDNQRG-BBRMVZONSA-N 1 3 347.463 0.968 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)C1)N(C)C ZINC001019397334 771247445 /nfs/dbraw/zinc/24/74/45/771247445.db2.gz UWNJLZHPAZZCQL-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCCCCC1 ZINC001127473917 771298050 /nfs/dbraw/zinc/29/80/50/771298050.db2.gz DKKKERZKMFAJAL-MRXNPFEDSA-N 1 3 336.480 0.437 20 0 ECADHO CC1CCN(C(=O)CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001127474353 771303397 /nfs/dbraw/zinc/30/33/97/771303397.db2.gz LHBVJIADSANUGI-INIZCTEOSA-N 1 3 336.480 0.293 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)cc1 ZINC001019518457 771399742 /nfs/dbraw/zinc/39/97/42/771399742.db2.gz OXHLODWCUUABIQ-KRWDZBQOSA-N 1 3 344.459 0.785 20 0 ECADHO CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CCCO1 ZINC001078433109 782939924 /nfs/dbraw/zinc/93/99/24/782939924.db2.gz SRVYRKDKLSTNSH-LPMVOBIJSA-N 1 3 337.464 0.465 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCCC3)C2)C1 ZINC001019772381 771779917 /nfs/dbraw/zinc/77/99/17/771779917.db2.gz CMTLUXSCFDDTCL-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCCC3)C2)C1 ZINC001019772381 771779919 /nfs/dbraw/zinc/77/99/19/771779919.db2.gz CMTLUXSCFDDTCL-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO NC(=O)c1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001019775042 771783790 /nfs/dbraw/zinc/78/37/90/771783790.db2.gz UHJUIILSRHRZKR-INIZCTEOSA-N 1 3 330.432 0.572 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019820665 771838816 /nfs/dbraw/zinc/83/88/16/771838816.db2.gz SXAXJNOFCLWLER-GJZGRUSLSA-N 1 3 337.468 0.077 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001078469197 783009326 /nfs/dbraw/zinc/00/93/26/783009326.db2.gz XUXMCIHTGCTYAP-RDJZCZTQSA-N 1 3 349.479 0.612 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001078469195 783009714 /nfs/dbraw/zinc/00/97/14/783009714.db2.gz XUXMCIHTGCTYAP-DOTOQJQBSA-N 1 3 349.479 0.612 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001078472933 783018600 /nfs/dbraw/zinc/01/86/00/783018600.db2.gz LNYWUXQXLVKTJR-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001078472933 783018607 /nfs/dbraw/zinc/01/86/07/783018607.db2.gz LNYWUXQXLVKTJR-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H]1C)N(C)C ZINC001020367067 772498240 /nfs/dbraw/zinc/49/82/40/772498240.db2.gz MDBZBTAIIXZSTN-YHUYYLMFSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H]1C)N(C)C ZINC001020367067 772498244 /nfs/dbraw/zinc/49/82/44/772498244.db2.gz MDBZBTAIIXZSTN-YHUYYLMFSA-N 1 3 338.496 0.774 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406946 772550785 /nfs/dbraw/zinc/55/07/85/772550785.db2.gz GZCDADAEJUFTTR-MBWHNVEESA-N 1 3 335.448 0.123 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001045134357 775035884 /nfs/dbraw/zinc/03/58/84/775035884.db2.gz QZBCFBDNVFTXMN-DOTOQJQBSA-N 1 3 346.479 0.770 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001045200214 775128143 /nfs/dbraw/zinc/12/81/43/775128143.db2.gz QHDFRGHMQPYHJB-RDJZCZTQSA-N 1 3 346.475 0.808 20 0 ECADHO CCn1nnc(C)c1CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001045274061 775293947 /nfs/dbraw/zinc/29/39/47/775293947.db2.gz FUIFQRJYKZHEDM-HNNXBMFYSA-N 1 3 346.479 0.783 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001045311700 775385482 /nfs/dbraw/zinc/38/54/82/775385482.db2.gz PBAFEBDQGSKBOD-DLBZAZTESA-N 1 3 348.491 0.816 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001045311914 775386966 /nfs/dbraw/zinc/38/69/66/775386966.db2.gz URWMPMOUDFPJLR-LSDHHAIUSA-N 1 3 332.452 0.442 20 0 ECADHO CC1(NC(=O)c2ccn3c[nH+]cc3c2)CCN([C@H]2CCNC2=O)CC1 ZINC001045493576 775700195 /nfs/dbraw/zinc/70/01/95/775700195.db2.gz ZOGTYAANHKFXJL-HNNXBMFYSA-N 1 3 341.415 0.807 20 0 ECADHO CCN(C(=O)[C@H](C1CC1)N(C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079945261 777123949 /nfs/dbraw/zinc/12/39/49/777123949.db2.gz IHAFRCFPKKYDTC-ZBFHGGJFSA-N 1 3 336.480 0.338 20 0 ECADHO CCN(C(=O)[C@H](C1CC1)N(C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079945261 777123953 /nfs/dbraw/zinc/12/39/53/777123953.db2.gz IHAFRCFPKKYDTC-ZBFHGGJFSA-N 1 3 336.480 0.338 20 0 ECADHO CC(C)CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077887 790529030 /nfs/dbraw/zinc/52/90/30/790529030.db2.gz OCYFCOGKMPQSOG-CVEARBPZSA-N 1 3 346.479 0.762 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC(C)(C)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001078481033 779954138 /nfs/dbraw/zinc/95/41/38/779954138.db2.gz IPSKZBGYKQTDEN-LSDHHAIUSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC(C)(C)C1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001078481033 779954146 /nfs/dbraw/zinc/95/41/46/779954146.db2.gz IPSKZBGYKQTDEN-LSDHHAIUSA-N 1 3 338.496 0.681 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078499393 780024814 /nfs/dbraw/zinc/02/48/14/780024814.db2.gz XBVHAXLRCVPRFT-WBVHZDCISA-N 1 3 349.479 0.469 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078499393 780024820 /nfs/dbraw/zinc/02/48/20/780024820.db2.gz XBVHAXLRCVPRFT-WBVHZDCISA-N 1 3 349.479 0.469 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C)N(C)C ZINC001078502018 780029274 /nfs/dbraw/zinc/02/92/74/780029274.db2.gz BXNTYZKGYCIGSS-ZNMIVQPWSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C)N(C)C ZINC001078502018 780029284 /nfs/dbraw/zinc/02/92/84/780029284.db2.gz BXNTYZKGYCIGSS-ZNMIVQPWSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001078502109 780030115 /nfs/dbraw/zinc/03/01/15/780030115.db2.gz LACHKQZTQTUVMX-IMJJTQAJSA-N 1 3 338.496 0.679 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078507995 780044825 /nfs/dbraw/zinc/04/48/25/780044825.db2.gz KLOSQAAJQBBGJU-HOCLYGCPSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078507995 780044832 /nfs/dbraw/zinc/04/48/32/780044832.db2.gz KLOSQAAJQBBGJU-HOCLYGCPSA-N 1 3 335.452 0.079 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCc3cccnc3)C2)C1 ZINC001078508560 780050611 /nfs/dbraw/zinc/05/06/11/780050611.db2.gz SIDWJZCQMZCWPX-DLBZAZTESA-N 1 3 332.448 0.740 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCc3cccnc3)C2)C1 ZINC001078508560 780050618 /nfs/dbraw/zinc/05/06/18/780050618.db2.gz SIDWJZCQMZCWPX-DLBZAZTESA-N 1 3 332.448 0.740 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077618588 781359864 /nfs/dbraw/zinc/35/98/64/781359864.db2.gz NFJGYIZYAPQCNB-BRWVUGGUSA-N 1 3 339.480 0.449 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)CN(C)C(C)C)[NH+](C)C ZINC001077656178 781437479 /nfs/dbraw/zinc/43/74/79/781437479.db2.gz ZRGWIXYVIBBZSE-GOEBONIOSA-N 1 3 328.501 0.924 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001077678863 781492678 /nfs/dbraw/zinc/49/26/78/781492678.db2.gz ZDXPUXMHWZENOH-JSGCOSHPSA-N 1 3 335.452 0.613 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077678863 781492682 /nfs/dbraw/zinc/49/26/82/781492682.db2.gz ZDXPUXMHWZENOH-JSGCOSHPSA-N 1 3 335.452 0.613 20 0 ECADHO CC[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037848828 783639981 /nfs/dbraw/zinc/63/99/81/783639981.db2.gz CDKCZLCFKBVBNB-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1NCc1nncn1C ZINC001037962235 783737675 /nfs/dbraw/zinc/73/76/75/783737675.db2.gz VZVVZSJSNPASEZ-CABCVRRESA-N 1 3 346.479 0.628 20 0 ECADHO O=C(NCc1c[nH]nc1[C@@H]1CCN(CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001070410260 783998803 /nfs/dbraw/zinc/99/88/03/783998803.db2.gz ZCIZJIUJZZDKKG-ZBFHGGJFSA-N 1 3 347.463 0.149 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]2(CC[N@H+](CCCO)C2)O1 ZINC001071175692 784664748 /nfs/dbraw/zinc/66/47/48/784664748.db2.gz IZELMNUHDLCBJT-QAPCUYQASA-N 1 3 339.480 0.545 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071175692 784664753 /nfs/dbraw/zinc/66/47/53/784664753.db2.gz IZELMNUHDLCBJT-QAPCUYQASA-N 1 3 339.480 0.545 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071259443 784868534 /nfs/dbraw/zinc/86/85/34/784868534.db2.gz LPLIITCUDNNSPZ-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO COCCN1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@H]1C ZINC001071890539 785279074 /nfs/dbraw/zinc/27/90/74/785279074.db2.gz NVRUKRWHVPJULV-GDBMZVCRSA-N 1 3 337.468 0.674 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001072285888 785975781 /nfs/dbraw/zinc/97/57/81/785975781.db2.gz BZHHHWAKQKDOPV-LSDHHAIUSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1cn(C)nn1 ZINC001072355982 786070987 /nfs/dbraw/zinc/07/09/87/786070987.db2.gz DKSRKBUBOUOMAQ-GOEBONIOSA-N 1 3 348.495 0.731 20 0 ECADHO COc1coc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)cc1=O ZINC001074565040 787269501 /nfs/dbraw/zinc/26/95/01/787269501.db2.gz OWUKOXKMXLLQAD-AEGPPILISA-N 1 3 349.431 0.822 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)[C@@H]1C)N(C)C ZINC001074888521 788490775 /nfs/dbraw/zinc/49/07/75/788490775.db2.gz HWSMUOFHJIUQPN-JYJNAYRXSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N1CC[C@@H](N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)C1=O ZINC001075042126 788786623 /nfs/dbraw/zinc/78/66/23/788786623.db2.gz SUTPRRXJUWHVHY-HRCADAONSA-N 1 3 348.491 0.671 20 0 ECADHO O=C(c1ccn2c[nH+]cc2c1)N1CC2(C1)CCN([C@@H]1CCNC1=O)C2 ZINC001072898119 789062372 /nfs/dbraw/zinc/06/23/72/789062372.db2.gz KBXQDDBRAKMXKU-OAHLLOKOSA-N 1 3 339.399 0.371 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072981192 789207098 /nfs/dbraw/zinc/20/70/98/789207098.db2.gz AHVGHQMZGZFERQ-CABCVRRESA-N 1 3 332.452 0.010 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072981192 789207108 /nfs/dbraw/zinc/20/71/08/789207108.db2.gz AHVGHQMZGZFERQ-CABCVRRESA-N 1 3 332.452 0.010 20 0 ECADHO O=C(CN1CCCC1)N1CCC([C@@H]2C[C@@H]([NH2+]CCO)CCO2)CC1 ZINC001075396985 789323350 /nfs/dbraw/zinc/32/33/50/789323350.db2.gz GDVTUABAYJFKPE-IRXDYDNUSA-N 1 3 339.480 0.450 20 0 ECADHO CC[C@H](C(=O)NC1(C)CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001073238251 789644776 /nfs/dbraw/zinc/64/47/76/789644776.db2.gz DZLICGUCXCWODC-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069929179 790201685 /nfs/dbraw/zinc/20/16/85/790201685.db2.gz ZIKWXNZGZYBVOK-BBWFWOEESA-N 1 3 346.479 0.617 20 0 ECADHO CN(CCNCC(=O)NCc1cccs1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267470397 837487502 /nfs/dbraw/zinc/48/75/02/837487502.db2.gz WJNHCQLDPDLPSI-ZDUSSCGKSA-N 1 3 338.477 0.364 20 0 ECADHO CN(CCNCC(=O)NCc1cccs1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267470397 837487510 /nfs/dbraw/zinc/48/75/10/837487510.db2.gz WJNHCQLDPDLPSI-ZDUSSCGKSA-N 1 3 338.477 0.364 20 0 ECADHO COCCCN1CCN(CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267574746 837823193 /nfs/dbraw/zinc/82/31/93/837823193.db2.gz RUEFNPJJYGHCGT-KRWDZBQOSA-N 1 3 340.512 0.441 20 0 ECADHO COCCCN1CCN(CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267574746 837823202 /nfs/dbraw/zinc/82/32/02/837823202.db2.gz RUEFNPJJYGHCGT-KRWDZBQOSA-N 1 3 340.512 0.441 20 0 ECADHO CN(CC[NH2+]Cc1cccc(C(N)=O)c1)C(=O)[C@@H]1CCCCN1C ZINC001266744399 836229699 /nfs/dbraw/zinc/22/96/99/836229699.db2.gz PUBMRLNKDXTTCS-INIZCTEOSA-N 1 3 332.448 0.818 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N(C)CCNCC(=O)N(C)C2CC2)CC1 ZINC001266935310 836493333 /nfs/dbraw/zinc/49/33/33/836493333.db2.gz CVDMHGBMGTULKD-UHFFFAOYSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(=O)NCCNCCF)C2)C1 ZINC001267002233 836595346 /nfs/dbraw/zinc/59/53/46/836595346.db2.gz GZLSWHMYZJRSLH-CABCVRRESA-N 1 3 342.459 0.242 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(=O)NCCNCCF)C2)C1 ZINC001267002233 836595357 /nfs/dbraw/zinc/59/53/57/836595357.db2.gz GZLSWHMYZJRSLH-CABCVRRESA-N 1 3 342.459 0.242 20 0 ECADHO CNC(=O)c1cccc(CNCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001267072375 836718125 /nfs/dbraw/zinc/71/81/25/836718125.db2.gz YIKPJRVLGWFTPL-INIZCTEOSA-N 1 3 332.448 0.546 20 0 ECADHO CNC(=O)c1cccc(CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001267072375 836718131 /nfs/dbraw/zinc/71/81/31/836718131.db2.gz YIKPJRVLGWFTPL-INIZCTEOSA-N 1 3 332.448 0.546 20 0 ECADHO Cn1nncc1CN1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001267179479 836927258 /nfs/dbraw/zinc/92/72/58/836927258.db2.gz PPHAAJFIWYKOPV-HNNXBMFYSA-N 1 3 346.479 0.772 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC001267374649 837281460 /nfs/dbraw/zinc/28/14/60/837281460.db2.gz IHPFVASBBJDTAT-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N2CCC[C@@H](C)C2)CC[N@H+]1C ZINC001267374649 837281471 /nfs/dbraw/zinc/28/14/71/837281471.db2.gz IHPFVASBBJDTAT-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@H](C(=O)NC[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC)N(C)C ZINC001408831567 838586523 /nfs/dbraw/zinc/58/65/23/838586523.db2.gz OXLHFOMLYUQBEX-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C(=O)NC[C@@H]1CCCN1C(=O)CC[N@H+](C)CC)N(C)C ZINC001408831567 838586519 /nfs/dbraw/zinc/58/65/19/838586519.db2.gz OXLHFOMLYUQBEX-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000419034090 290637231 /nfs/dbraw/zinc/63/72/31/290637231.db2.gz ZFFOAPVXGMPAGV-SOUVJXGZSA-N 1 3 338.496 0.679 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000418853917 282169357 /nfs/dbraw/zinc/16/93/57/282169357.db2.gz SPFGESCIMDWXNP-HZPDHXFCSA-N 1 3 332.448 0.225 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Cc1ccccc1 ZINC000418850814 282169368 /nfs/dbraw/zinc/16/93/68/282169368.db2.gz ORXFWCJDMHFFPK-ZACQAIPSSA-N 1 3 344.459 0.096 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354700493 299100234 /nfs/dbraw/zinc/10/02/34/299100234.db2.gz WPFRYUXRPFKQPX-SJORKVTESA-N 1 3 346.475 0.534 20 0 ECADHO O=C(NCCNc1ccncc1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000426534869 210154553 /nfs/dbraw/zinc/15/45/53/210154553.db2.gz YWCSHEYJMHFEBT-SJORKVTESA-N 1 3 347.463 0.592 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000423226291 290829642 /nfs/dbraw/zinc/82/96/42/290829642.db2.gz QDTWLTSDMFPBML-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000355272156 299228789 /nfs/dbraw/zinc/22/87/89/299228789.db2.gz BDFUDJIYNXKXOJ-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000355283566 299230461 /nfs/dbraw/zinc/23/04/61/299230461.db2.gz UJCZBXGUMNDMEK-CQSZACIVSA-N 1 3 342.484 0.012 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423413621 283231904 /nfs/dbraw/zinc/23/19/04/283231904.db2.gz LBHCDNPSPIBENX-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420458396 209371497 /nfs/dbraw/zinc/37/14/97/209371497.db2.gz PPWGZVGANMSDRC-KGLIPLIRSA-N 1 3 343.497 0.467 20 0 ECADHO CC[NH2+][C@H](C)CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420441084 209367724 /nfs/dbraw/zinc/36/77/24/209367724.db2.gz VLJJZHIEIYUTGS-LLVKDONJSA-N 1 3 331.486 0.338 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420430097 209364930 /nfs/dbraw/zinc/36/49/30/209364930.db2.gz VJWZXKIVXPKPBW-UONOGXRCSA-N 1 3 343.497 0.610 20 0 ECADHO CN(C(=O)C(=O)NCC(C)(C)[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000420084420 209301551 /nfs/dbraw/zinc/30/15/51/209301551.db2.gz YQZXSJJJGNZVNB-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419031031 296034222 /nfs/dbraw/zinc/03/42/22/296034222.db2.gz USPWKIHGIRLGDU-QXSJWSMHSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000420017828 209278799 /nfs/dbraw/zinc/27/87/99/209278799.db2.gz WVAHZWPAPROPHE-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000420017828 209278803 /nfs/dbraw/zinc/27/88/03/209278803.db2.gz WVAHZWPAPROPHE-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000419985260 209269465 /nfs/dbraw/zinc/26/94/65/209269465.db2.gz APKQPTKNAFDPSE-CYBMUJFWSA-N 1 3 338.427 0.569 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000419955107 209259386 /nfs/dbraw/zinc/25/93/86/209259386.db2.gz NABRDBZMTLOCBV-HNNXBMFYSA-N 1 3 326.485 0.666 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419931345 209251395 /nfs/dbraw/zinc/25/13/95/209251395.db2.gz COWXYWDGVMMZQI-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419853291 209226340 /nfs/dbraw/zinc/22/63/40/209226340.db2.gz FAHLSIWTYOJBTL-CVEARBPZSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419777034 209203714 /nfs/dbraw/zinc/20/37/14/209203714.db2.gz MMNQMAHOTLFHQN-KGLIPLIRSA-N 1 3 326.485 0.713 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000419768354 209201787 /nfs/dbraw/zinc/20/17/87/209201787.db2.gz CLPPURXCUZHYEX-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CCC(C)CC1 ZINC000356445774 299390120 /nfs/dbraw/zinc/39/01/20/299390120.db2.gz GDXMGLWNKYXFEW-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000263269790 245377201 /nfs/dbraw/zinc/37/72/01/245377201.db2.gz WPDCERXTKYLEAT-SFHVURJKSA-N 1 3 346.475 0.998 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CCCCC1 ZINC000419699065 209176429 /nfs/dbraw/zinc/17/64/29/209176429.db2.gz VCUBJLGBFWEBEA-AWEZNQCLSA-N 1 3 336.480 0.897 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419654560 209159066 /nfs/dbraw/zinc/15/90/66/209159066.db2.gz ZYLLPNWMNOTOGK-CZUORRHYSA-N 1 3 332.448 0.479 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000419652887 209158731 /nfs/dbraw/zinc/15/87/31/209158731.db2.gz QCMZHHSOEDYHMH-CQSZACIVSA-N 1 3 334.464 0.910 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419654561 209159440 /nfs/dbraw/zinc/15/94/40/209159440.db2.gz ZYLLPNWMNOTOGK-XJKSGUPXSA-N 1 3 332.448 0.479 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419644373 209155328 /nfs/dbraw/zinc/15/53/28/209155328.db2.gz NWYCFDVQIZTDKX-HOTGVXAUSA-N 1 3 332.448 0.751 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000419590250 209135080 /nfs/dbraw/zinc/13/50/80/209135080.db2.gz TZBGBSVMMCHGAT-XJKSGUPXSA-N 1 3 342.509 0.046 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419587512 209133543 /nfs/dbraw/zinc/13/35/43/209133543.db2.gz PSANCWATNVOLJW-OAHLLOKOSA-N 1 3 330.498 0.174 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419582680 209131433 /nfs/dbraw/zinc/13/14/33/209131433.db2.gz JKVVVDJRMOAUNL-CABCVRRESA-N 1 3 326.485 0.809 20 0 ECADHO C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000419525235 209115424 /nfs/dbraw/zinc/11/54/24/209115424.db2.gz RFULVPFXNBMYIS-BCLQGDPASA-N 1 3 338.496 0.857 20 0 ECADHO C[NH+]1CCC(CCNC(=O)NCC2CCN(CCO)CC2)CC1 ZINC000111855388 220208856 /nfs/dbraw/zinc/20/88/56/220208856.db2.gz GNEMMFAXBSQJEO-UHFFFAOYSA-N 1 3 326.485 0.722 20 0 ECADHO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H](N2CCCC2)C1 ZINC000424136044 296279925 /nfs/dbraw/zinc/27/99/25/296279925.db2.gz QDCZFFBFYFINTJ-CABCVRRESA-N 1 3 332.452 0.903 20 0 ECADHO COC(=O)COC[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000449185854 211275031 /nfs/dbraw/zinc/27/50/31/211275031.db2.gz JVQDBHGKMIQSQM-NUEKZKHPSA-N 1 3 328.453 0.922 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000339613386 297364133 /nfs/dbraw/zinc/36/41/33/297364133.db2.gz DNPHKDMFJIWOFR-GJZGRUSLSA-N 1 3 326.485 0.820 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419772179 284793374 /nfs/dbraw/zinc/79/33/74/284793374.db2.gz FWCPDQAEOMOQAT-AGIUHOORSA-N 1 3 328.457 0.062 20 0 ECADHO CC(CCN(C)[C@H]1CCN(C)C1=O)CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC000411293025 208083640 /nfs/dbraw/zinc/08/36/40/208083640.db2.gz NOOLDZZMTQIGTF-HOTGVXAUSA-N 1 3 338.496 0.728 20 0 ECADHO CC(CCN(C)[C@H]1CCN(C)C1=O)CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000411293025 208083642 /nfs/dbraw/zinc/08/36/42/208083642.db2.gz NOOLDZZMTQIGTF-HOTGVXAUSA-N 1 3 338.496 0.728 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1=O ZINC000429182344 210302905 /nfs/dbraw/zinc/30/29/05/210302905.db2.gz MLTUPJBSICQEQU-ZJIFWQFVSA-N 1 3 336.480 0.515 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC000419147176 209001308 /nfs/dbraw/zinc/00/13/08/209001308.db2.gz BSEFAQNBBSGIBK-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H](C)CN)CC1 ZINC000419149340 209001792 /nfs/dbraw/zinc/00/17/92/209001792.db2.gz KBFBGNVNJWNFDD-CQSZACIVSA-N 1 3 326.485 0.666 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419151724 209002091 /nfs/dbraw/zinc/00/20/91/209002091.db2.gz NOMLTSHOHCJTBL-OAHLLOKOSA-N 1 3 348.447 0.097 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H]1C(=O)OC ZINC000336952790 285248369 /nfs/dbraw/zinc/24/83/69/285248369.db2.gz RXURYKPFQXZDQC-QLFBSQMISA-N 1 3 325.453 0.670 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H]1C(=O)OC ZINC000336952790 285248371 /nfs/dbraw/zinc/24/83/71/285248371.db2.gz RXURYKPFQXZDQC-QLFBSQMISA-N 1 3 325.453 0.670 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC(=O)NC ZINC000459105824 285278669 /nfs/dbraw/zinc/27/86/69/285278669.db2.gz PGFJYYUBHBTKFN-CABCVRRESA-N 1 3 341.500 0.569 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC(=O)NC ZINC000459105824 285278671 /nfs/dbraw/zinc/27/86/71/285278671.db2.gz PGFJYYUBHBTKFN-CABCVRRESA-N 1 3 341.500 0.569 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000419166213 209009780 /nfs/dbraw/zinc/00/97/80/209009780.db2.gz HHHLCMIUCPQPEU-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000419166213 209009782 /nfs/dbraw/zinc/00/97/82/209009782.db2.gz HHHLCMIUCPQPEU-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CC1 ZINC000419185869 209017158 /nfs/dbraw/zinc/01/71/58/209017158.db2.gz PMEWNMWRILHXDO-JKSUJKDBSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000419185869 209017163 /nfs/dbraw/zinc/01/71/63/209017163.db2.gz PMEWNMWRILHXDO-JKSUJKDBSA-N 1 3 336.480 0.753 20 0 ECADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232765 209035984 /nfs/dbraw/zinc/03/59/84/209035984.db2.gz VBONTORKPMPXSE-MAUKXSAKSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NCCN ZINC000419237646 209037015 /nfs/dbraw/zinc/03/70/15/209037015.db2.gz CLBZKZUTXGNCBE-ZIAGYGMSSA-N 1 3 332.448 0.334 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(C(=O)N(C)C)c1 ZINC000103213004 296634657 /nfs/dbraw/zinc/63/46/57/296634657.db2.gz VRPLGRCWCWZTBE-UHFFFAOYSA-N 1 3 334.464 0.954 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000173279180 164853123 /nfs/dbraw/zinc/85/31/23/164853123.db2.gz BNFHBZXZLZTLLR-UHFFFAOYSA-N 1 3 326.485 0.099 20 0 ECADHO C[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)C1C[NH2+]C1 ZINC000262313038 165327311 /nfs/dbraw/zinc/32/73/11/165327311.db2.gz DDFJNGCYWYXDON-OAHLLOKOSA-N 1 3 330.476 0.906 20 0 ECADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262339802 165333472 /nfs/dbraw/zinc/33/34/72/165333472.db2.gz FZYHFCDDYJKBIK-ROUUACIJSA-N 1 3 346.475 0.033 20 0 ECADHO C[C@H](C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)C1C[NH2+]C1 ZINC000262356760 165337071 /nfs/dbraw/zinc/33/70/71/165337071.db2.gz JRMMAJUTJPIVAZ-NSHDSACASA-N 1 3 332.404 0.950 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])Cc1ccccc1 ZINC000419382999 209074491 /nfs/dbraw/zinc/07/44/91/209074491.db2.gz ZQKHOCXPBBBZPA-HOCLYGCPSA-N 1 3 334.464 0.519 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419401065 209082431 /nfs/dbraw/zinc/08/24/31/209082431.db2.gz AJPLPGPEEFMNAO-OAHLLOKOSA-N 1 3 326.485 0.666 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000167213218 226184196 /nfs/dbraw/zinc/18/41/96/226184196.db2.gz OMBKHUDSNFFBEY-MRXNPFEDSA-N 1 3 332.448 0.818 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000166453801 226160186 /nfs/dbraw/zinc/16/01/86/226160186.db2.gz FUSBLGBVNWQQNS-GOSISDBHSA-N 1 3 332.448 0.594 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000361323744 300082822 /nfs/dbraw/zinc/08/28/22/300082822.db2.gz ITMPSNQEZMSXSF-GJZGRUSLSA-N 1 3 327.469 0.162 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2CCN(CCO)CC2)C1 ZINC000176184726 263151948 /nfs/dbraw/zinc/15/19/48/263151948.db2.gz DOELNELLBDNDND-HOTGVXAUSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1COCCN1CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000192753932 263166031 /nfs/dbraw/zinc/16/60/31/263166031.db2.gz LDNXTGIRGRKYBE-OAHLLOKOSA-N 1 3 326.485 0.097 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000195125289 263170010 /nfs/dbraw/zinc/17/00/10/263170010.db2.gz JFFBFBPHQXMLHU-HZPDHXFCSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000195125289 263170011 /nfs/dbraw/zinc/17/00/11/263170011.db2.gz JFFBFBPHQXMLHU-HZPDHXFCSA-N 1 3 325.501 0.652 20 0 ECADHO O=C(C[C@H]1COCCN1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000285872600 264347715 /nfs/dbraw/zinc/34/77/15/264347715.db2.gz BOKYSXXZWSZOOT-INIZCTEOSA-N 1 3 347.463 0.088 20 0 ECADHO C[C@H](CNC(=O)c1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cn1)N(C)C ZINC000298609713 265267275 /nfs/dbraw/zinc/26/72/75/265267275.db2.gz JMENHKZVGCEBKF-CHWSQXEVSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](CNC(=O)c1ccc(C(=O)NC[C@@H](C)[NH+](C)C)nc1)N(C)C ZINC000298609713 265267277 /nfs/dbraw/zinc/26/72/77/265267277.db2.gz JMENHKZVGCEBKF-CHWSQXEVSA-N 1 3 335.452 0.441 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000262767744 274058094 /nfs/dbraw/zinc/05/80/94/274058094.db2.gz AWVOZJRWQRFHKI-QZTJIDSGSA-N 1 3 349.475 0.912 20 0 ECADHO CC1CC[NH+](CCNC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000457697268 276197749 /nfs/dbraw/zinc/19/77/49/276197749.db2.gz UCLBAYMEEGUBCJ-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2CN)cc1 ZINC000419711145 276764259 /nfs/dbraw/zinc/76/42/59/276764259.db2.gz NAWMSCKGIQKVHS-QGZVFWFLSA-N 1 3 346.475 0.747 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000418608246 279087609 /nfs/dbraw/zinc/08/76/09/279087609.db2.gz RMZZESVEAURTHY-CABCVRRESA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@](C[NH3+])(NCCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000433492933 279148729 /nfs/dbraw/zinc/14/87/29/279148729.db2.gz HFPRJFVPBDWGRE-KRWDZBQOSA-N 1 3 332.452 0.232 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420177577 279296644 /nfs/dbraw/zinc/29/66/44/279296644.db2.gz SJEBQVAZJXKOFR-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)N[C@@H](C)C2)CC1=O ZINC000153346599 279305641 /nfs/dbraw/zinc/30/56/41/279305641.db2.gz OXJSOUBTIASDMG-QKPAOTATSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)N[C@@H](C)C2)CC1=O ZINC000153346599 279305646 /nfs/dbraw/zinc/30/56/46/279305646.db2.gz OXJSOUBTIASDMG-QKPAOTATSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC000409626221 279329083 /nfs/dbraw/zinc/32/90/83/279329083.db2.gz RXURYKPFQXZDQC-ZNMIVQPWSA-N 1 3 325.453 0.670 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC000409626221 279329084 /nfs/dbraw/zinc/32/90/84/279329084.db2.gz RXURYKPFQXZDQC-ZNMIVQPWSA-N 1 3 325.453 0.670 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000417749329 279360795 /nfs/dbraw/zinc/36/07/95/279360795.db2.gz JLEBTHWYPWLGHI-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO CC(C)[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)N1CCN(C)CC1 ZINC000457611775 280245513 /nfs/dbraw/zinc/24/55/13/280245513.db2.gz KVCGISXMVWATBK-HNNXBMFYSA-N 1 3 327.517 0.898 20 0 ECADHO C[C@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343579064 437606985 /nfs/dbraw/zinc/60/69/85/437606985.db2.gz GWJRTSYYIVCSCD-INDMIFKZSA-N 1 3 336.524 0.807 20 0 ECADHO C[C@H]1C[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1N1CCN(C)CC1 ZINC000343579064 437606987 /nfs/dbraw/zinc/60/69/87/437606987.db2.gz GWJRTSYYIVCSCD-INDMIFKZSA-N 1 3 336.524 0.807 20 0 ECADHO C[C@H]1C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1N1CCN(C)CC1 ZINC000343579064 437606991 /nfs/dbraw/zinc/60/69/91/437606991.db2.gz GWJRTSYYIVCSCD-INDMIFKZSA-N 1 3 336.524 0.807 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000332089084 297000100 /nfs/dbraw/zinc/00/01/00/297000100.db2.gz KWJQZMBMGQKUCW-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO COC(=O)C(C)(C)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000338549008 297277467 /nfs/dbraw/zinc/27/74/67/297277467.db2.gz KYJCYCKLBMJYLE-UHFFFAOYSA-N 1 3 327.469 0.966 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339753987 297379296 /nfs/dbraw/zinc/37/92/96/297379296.db2.gz OUZMFOBZUVGJMJ-MRXNPFEDSA-N 1 3 338.496 0.969 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340207843 297453652 /nfs/dbraw/zinc/45/36/52/297453652.db2.gz YFPYXRQYFVNFBG-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000340432865 297481356 /nfs/dbraw/zinc/48/13/56/297481356.db2.gz NIXWTDRIVYRJSB-INIZCTEOSA-N 1 3 342.509 0.094 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000343683840 297909578 /nfs/dbraw/zinc/90/95/78/297909578.db2.gz INIBCJNAGSPPFZ-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000346530545 298287340 /nfs/dbraw/zinc/28/73/40/298287340.db2.gz NADFODZQZXKFPX-KBRIMQKVSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000346530545 298287342 /nfs/dbraw/zinc/28/73/42/298287342.db2.gz NADFODZQZXKFPX-KBRIMQKVSA-N 1 3 348.491 0.718 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000351026426 298748378 /nfs/dbraw/zinc/74/83/78/298748378.db2.gz VXVUPTWFRFERJF-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CO[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000353453839 299050376 /nfs/dbraw/zinc/05/03/76/299050376.db2.gz SJUNXPYVPOTOOU-HOTGVXAUSA-N 1 3 348.447 0.765 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1=O ZINC000361386967 300088063 /nfs/dbraw/zinc/08/80/63/300088063.db2.gz RMFFYGFAVMDGMS-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000361826468 300130648 /nfs/dbraw/zinc/13/06/48/300130648.db2.gz YAMYBOPWARTSCT-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000361826468 300130650 /nfs/dbraw/zinc/13/06/50/300130650.db2.gz YAMYBOPWARTSCT-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000362867520 300228880 /nfs/dbraw/zinc/22/88/80/300228880.db2.gz JHGGMKATHIHLIA-SZVBFZGTSA-N 1 3 331.460 0.937 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000362867520 300228881 /nfs/dbraw/zinc/22/88/81/300228881.db2.gz JHGGMKATHIHLIA-SZVBFZGTSA-N 1 3 331.460 0.937 20 0 ECADHO CCOC(=O)[C@@](C)(O)C[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000364281216 300342313 /nfs/dbraw/zinc/34/23/13/300342313.db2.gz UAWXWHUINJGJGE-KRWDZBQOSA-N 1 3 328.453 0.876 20 0 ECADHO CCOC(=O)[C@@](C)(O)C[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000364281216 300342314 /nfs/dbraw/zinc/34/23/14/300342314.db2.gz UAWXWHUINJGJGE-KRWDZBQOSA-N 1 3 328.453 0.876 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000364423493 300355590 /nfs/dbraw/zinc/35/55/90/300355590.db2.gz XFBUHERVYZMXCI-UHFFFAOYSA-N 1 3 326.485 0.193 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000364423493 300355591 /nfs/dbraw/zinc/35/55/91/300355591.db2.gz XFBUHERVYZMXCI-UHFFFAOYSA-N 1 3 326.485 0.193 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000370923526 300871417 /nfs/dbraw/zinc/87/14/17/300871417.db2.gz DUTBISTVGWMDMQ-QGZVFWFLSA-N 1 3 337.468 0.411 20 0 ECADHO O=C1C[C@@]2(CN1)CCC[N@@H+](CCCN1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000072832744 436057141 /nfs/dbraw/zinc/05/71/41/436057141.db2.gz CROBRFVGUICVTA-KDURUIRLSA-N 1 3 348.491 0.581 20 0 ECADHO O=C1C[C@@]2(CN1)CCC[N@H+](CCCN1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000072832744 436057144 /nfs/dbraw/zinc/05/71/44/436057144.db2.gz CROBRFVGUICVTA-KDURUIRLSA-N 1 3 348.491 0.581 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371231530 300898822 /nfs/dbraw/zinc/89/88/22/300898822.db2.gz WSDWGWVNOVMWSA-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000074676450 436136097 /nfs/dbraw/zinc/13/60/97/436136097.db2.gz JHMATSBRUXWHTQ-HZPDHXFCSA-N 1 3 326.485 0.097 20 0 ECADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074157323 436110577 /nfs/dbraw/zinc/11/05/77/436110577.db2.gz NACWWLXXHDMYMX-HZPDHXFCSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000372572517 301009675 /nfs/dbraw/zinc/00/96/75/301009675.db2.gz PBWPPUVTROTCTK-IPYPFGDCSA-N 1 3 347.463 0.675 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1[nH]nc2c1CNCC2 ZINC000372572517 301009678 /nfs/dbraw/zinc/00/96/78/301009678.db2.gz PBWPPUVTROTCTK-IPYPFGDCSA-N 1 3 347.463 0.675 20 0 ECADHO Cn1cc(-c2ncc(CNCCN3CCC([NH+](C)C)CC3)cn2)cn1 ZINC000377079230 301319201 /nfs/dbraw/zinc/31/92/01/301319201.db2.gz QYYDMZWENIUNGA-UHFFFAOYSA-N 1 3 343.479 0.993 20 0 ECADHO CN1CC[C@H](C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)[C@@H]1c1ccccc1 ZINC000377764133 301374154 /nfs/dbraw/zinc/37/41/54/301374154.db2.gz SMOJZEZFGCFCQV-WBVHZDCISA-N 1 3 342.443 0.867 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)NCC[NH2+]C3CCCCCC3)CCN2C1=O ZINC000521273302 301786574 /nfs/dbraw/zinc/78/65/74/301786574.db2.gz NUNWPRYUXYJHTD-LSDHHAIUSA-N 1 3 337.468 0.252 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000104533993 436559438 /nfs/dbraw/zinc/55/94/38/436559438.db2.gz BFIZABKMXLRJHL-UHFFFAOYSA-N 1 3 334.464 0.954 20 0 ECADHO CCN(CCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000109171962 436623233 /nfs/dbraw/zinc/62/32/33/436623233.db2.gz ZYPAULILZJKXIM-MRXNPFEDSA-N 1 3 326.485 0.863 20 0 ECADHO C[NH+](C)CCOCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000544340800 302222887 /nfs/dbraw/zinc/22/28/87/302222887.db2.gz HINXPGJVNLIQBP-QGZVFWFLSA-N 1 3 334.464 0.988 20 0 ECADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000547296974 302253970 /nfs/dbraw/zinc/25/39/70/302253970.db2.gz KPFLMUCQNNCCIL-RHSMWYFYSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000547296974 302253971 /nfs/dbraw/zinc/25/39/71/302253971.db2.gz KPFLMUCQNNCCIL-RHSMWYFYSA-N 1 3 326.485 0.863 20 0 ECADHO CCO[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1OC ZINC000548523948 302306478 /nfs/dbraw/zinc/30/64/78/302306478.db2.gz LEVWVAOLUUMNPZ-RBSFLKMASA-N 1 3 330.473 0.314 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000551884662 302368006 /nfs/dbraw/zinc/36/80/06/302368006.db2.gz QGRHJXNVADYIEJ-XHSDSOJGSA-N 1 3 340.512 0.879 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CNC3CC3)c2)C1 ZINC000237915006 436749261 /nfs/dbraw/zinc/74/92/61/436749261.db2.gz YJAXFVKYKGIQBL-MRXNPFEDSA-N 1 3 344.459 0.752 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CNC3CC3)c2)C1 ZINC000237915006 436749265 /nfs/dbraw/zinc/74/92/65/436749265.db2.gz YJAXFVKYKGIQBL-MRXNPFEDSA-N 1 3 344.459 0.752 20 0 ECADHO CN1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000246025056 436772197 /nfs/dbraw/zinc/77/21/97/436772197.db2.gz KWLIUOGSPOVBJE-HZPDHXFCSA-N 1 3 331.526 0.959 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1=O ZINC000248596090 436805060 /nfs/dbraw/zinc/80/50/60/436805060.db2.gz ICNRFUKCOFUFHK-BIVLZKPYSA-N 1 3 348.491 0.515 20 0 ECADHO C[C@H](NC[C@@H](O)CN1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248581036 436805665 /nfs/dbraw/zinc/80/56/65/436805665.db2.gz ORHQVFXBTNXHFE-XYJFISCASA-N 1 3 325.497 0.922 20 0 ECADHO C[C@H](NC[C@@H](O)CN1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248581036 436805669 /nfs/dbraw/zinc/80/56/69/436805669.db2.gz ORHQVFXBTNXHFE-XYJFISCASA-N 1 3 325.497 0.922 20 0 ECADHO C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000248581036 436805671 /nfs/dbraw/zinc/80/56/71/436805671.db2.gz ORHQVFXBTNXHFE-XYJFISCASA-N 1 3 325.497 0.922 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(F)c1F ZINC000130541573 436839602 /nfs/dbraw/zinc/83/96/02/436839602.db2.gz ZMBITTPYYWWLGY-UHFFFAOYSA-N 1 3 342.390 0.855 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000159042240 436853415 /nfs/dbraw/zinc/85/34/15/436853415.db2.gz FZHPZUZMPKVVHT-OAHLLOKOSA-N 1 3 341.500 0.555 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000159042240 436853420 /nfs/dbraw/zinc/85/34/20/436853420.db2.gz FZHPZUZMPKVVHT-OAHLLOKOSA-N 1 3 341.500 0.555 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000134102469 436891027 /nfs/dbraw/zinc/89/10/27/436891027.db2.gz JCBQHCNOZBZZLR-ZDUSSCGKSA-N 1 3 338.456 0.230 20 0 ECADHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)[C@H](C)C1 ZINC000162358737 436904979 /nfs/dbraw/zinc/90/49/79/436904979.db2.gz AGIRHCMYBKWHBM-OCCSQVGLSA-N 1 3 330.454 0.414 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000173388536 437048000 /nfs/dbraw/zinc/04/80/00/437048000.db2.gz JEIMZJCODGGDCF-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000175794941 437118330 /nfs/dbraw/zinc/11/83/30/437118330.db2.gz XCGDWMGLNUATNI-IXDOHACOSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000175794941 437118334 /nfs/dbraw/zinc/11/83/34/437118334.db2.gz XCGDWMGLNUATNI-IXDOHACOSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000331603285 437128123 /nfs/dbraw/zinc/12/81/23/437128123.db2.gz HTXUEBVKKQJSLU-QCODTGAPSA-N 1 3 336.480 0.336 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000331603282 437128948 /nfs/dbraw/zinc/12/89/48/437128948.db2.gz HTXUEBVKKQJSLU-LJIZCISZSA-N 1 3 336.480 0.336 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374916 437180495 /nfs/dbraw/zinc/18/04/95/437180495.db2.gz WTJWTQCTEKMVTG-ZDUSSCGKSA-N 1 3 327.473 0.178 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000332352602 437215636 /nfs/dbraw/zinc/21/56/36/437215636.db2.gz ZSWANUVDOJKZNG-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000331844444 437167091 /nfs/dbraw/zinc/16/70/91/437167091.db2.gz UCVCANVNCACACL-JONQDZQNSA-N 1 3 336.480 0.513 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000331854653 437170017 /nfs/dbraw/zinc/17/00/17/437170017.db2.gz PDLNCBPDHRBXBR-RBSFLKMASA-N 1 3 337.468 0.062 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333358861 437267880 /nfs/dbraw/zinc/26/78/80/437267880.db2.gz KSPFPPGEUQOLKP-SJORKVTESA-N 1 3 337.512 0.940 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333356955 437268510 /nfs/dbraw/zinc/26/85/10/437268510.db2.gz CEMBEVWWFFSZQU-CWRNSKLLSA-N 1 3 334.468 0.731 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000178873157 437236208 /nfs/dbraw/zinc/23/62/08/437236208.db2.gz LGZHCBNAPZKXJP-SFHVURJKSA-N 1 3 334.439 0.752 20 0 ECADHO CN(C)CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1 ZINC000266842281 437253413 /nfs/dbraw/zinc/25/34/13/437253413.db2.gz NARSRTNMGIPMKV-MRXNPFEDSA-N 1 3 346.475 0.991 20 0 ECADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179284966 437256918 /nfs/dbraw/zinc/25/69/18/437256918.db2.gz PBYBQCJHAGKVPI-RDJZCZTQSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](C)CN1 ZINC000333629387 437280173 /nfs/dbraw/zinc/28/01/73/437280173.db2.gz GIASPGCPIQUZOD-IJLUTSLNSA-N 1 3 337.390 0.214 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000337574602 437367049 /nfs/dbraw/zinc/36/70/49/437367049.db2.gz GWGODFGBSANEBI-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000337574602 437367053 /nfs/dbraw/zinc/36/70/53/437367053.db2.gz GWGODFGBSANEBI-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000339582664 437474735 /nfs/dbraw/zinc/47/47/35/437474735.db2.gz ZEVYFCBDOXBBJV-HNNXBMFYSA-N 1 3 342.484 0.062 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000339582664 437474738 /nfs/dbraw/zinc/47/47/38/437474738.db2.gz ZEVYFCBDOXBBJV-HNNXBMFYSA-N 1 3 342.484 0.062 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000269270740 437477276 /nfs/dbraw/zinc/47/72/76/437477276.db2.gz SHAMZDCPSPTIPA-DLBZAZTESA-N 1 3 346.475 0.983 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000269270740 437477279 /nfs/dbraw/zinc/47/72/79/437477279.db2.gz SHAMZDCPSPTIPA-DLBZAZTESA-N 1 3 346.475 0.983 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000339628061 437480173 /nfs/dbraw/zinc/48/01/73/437480173.db2.gz GNXSEXYTBJECDF-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339637360 437480947 /nfs/dbraw/zinc/48/09/47/437480947.db2.gz YOSIFAOSQSULGT-MRXNPFEDSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339650403 437483206 /nfs/dbraw/zinc/48/32/06/437483206.db2.gz FFEAUTNZGIHUBA-UHFFFAOYSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000339684840 437494216 /nfs/dbraw/zinc/49/42/16/437494216.db2.gz VCROOYAYFSFCKL-RDJZCZTQSA-N 1 3 348.491 0.732 20 0 ECADHO COCC[NH+]1CCC(NC[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000353954162 437494618 /nfs/dbraw/zinc/49/46/18/437494618.db2.gz JADAAHMPLABXHN-HNNXBMFYSA-N 1 3 333.498 0.501 20 0 ECADHO C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C1=CCN(C)CC1 ZINC000339951200 437529742 /nfs/dbraw/zinc/52/97/42/437529742.db2.gz WHPAPVTUXZFYJH-ZDUSSCGKSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000340354482 437634658 /nfs/dbraw/zinc/63/46/58/437634658.db2.gz KXUYRMYNOJMCEH-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000340354482 437634662 /nfs/dbraw/zinc/63/46/62/437634662.db2.gz KXUYRMYNOJMCEH-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340476708 437656961 /nfs/dbraw/zinc/65/69/61/437656961.db2.gz AWTGTLVMBGYODP-VYDXJSESSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340476708 437656964 /nfs/dbraw/zinc/65/69/64/437656964.db2.gz AWTGTLVMBGYODP-VYDXJSESSA-N 1 3 348.491 0.863 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CN(C)CCN2C)[C@@H](C)C1 ZINC000361342928 437661479 /nfs/dbraw/zinc/66/14/79/437661479.db2.gz YUWZHUPDIKOPEL-KSZLIROESA-N 1 3 326.529 0.959 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CN(C)CCN2C)[C@@H](C)C1 ZINC000361342928 437661481 /nfs/dbraw/zinc/66/14/81/437661481.db2.gz YUWZHUPDIKOPEL-KSZLIROESA-N 1 3 326.529 0.959 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CN(C)CCN2C)[C@@H](C)C1 ZINC000361342928 437661482 /nfs/dbraw/zinc/66/14/82/437661482.db2.gz YUWZHUPDIKOPEL-KSZLIROESA-N 1 3 326.529 0.959 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1=CCN(C)CC1 ZINC000340517491 437682218 /nfs/dbraw/zinc/68/22/18/437682218.db2.gz QUIQBNYEPAXAOR-UONOGXRCSA-N 1 3 334.464 0.354 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1=CCN(C)CC1 ZINC000340517491 437682224 /nfs/dbraw/zinc/68/22/24/437682224.db2.gz QUIQBNYEPAXAOR-UONOGXRCSA-N 1 3 334.464 0.354 20 0 ECADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000343915959 437696202 /nfs/dbraw/zinc/69/62/02/437696202.db2.gz GDMVQALJNYMUNF-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000343920722 437696825 /nfs/dbraw/zinc/69/68/25/437696825.db2.gz HOJYPDXSTAJGJC-CVEARBPZSA-N 1 3 346.541 0.226 20 0 ECADHO C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000343920722 437696830 /nfs/dbraw/zinc/69/68/30/437696830.db2.gz HOJYPDXSTAJGJC-CVEARBPZSA-N 1 3 346.541 0.226 20 0 ECADHO C[C@H]1CN(CCC(=O)N2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343924368 437699042 /nfs/dbraw/zinc/69/90/42/437699042.db2.gz NPVOVHAYSRAFPI-DLBZAZTESA-N 1 3 338.496 0.193 20 0 ECADHO C[C@@H](CNC(=O)C(C)(C)CCC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000362936736 437762543 /nfs/dbraw/zinc/76/25/43/437762543.db2.gz YAHGWMSCYXLOQU-KBPBESRZSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@@H](CNC(=O)CCC(C)(C)C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000362936736 437762545 /nfs/dbraw/zinc/76/25/45/437762545.db2.gz YAHGWMSCYXLOQU-KBPBESRZSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000340985193 437770073 /nfs/dbraw/zinc/77/00/73/437770073.db2.gz IFYSCEJYTBSRFC-IKGGRYGDSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000340985193 437770079 /nfs/dbraw/zinc/77/00/79/437770079.db2.gz IFYSCEJYTBSRFC-IKGGRYGDSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000340985195 437770488 /nfs/dbraw/zinc/77/04/88/437770488.db2.gz IFYSCEJYTBSRFC-IXDOHACOSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000340985195 437770490 /nfs/dbraw/zinc/77/04/90/437770490.db2.gz IFYSCEJYTBSRFC-IXDOHACOSA-N 1 3 337.512 0.796 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000362884110 437760503 /nfs/dbraw/zinc/76/05/03/437760503.db2.gz HHNANDWAHYJJMZ-ARFHVFGLSA-N 1 3 346.479 1.393 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000362884110 437760506 /nfs/dbraw/zinc/76/05/06/437760506.db2.gz HHNANDWAHYJJMZ-ARFHVFGLSA-N 1 3 346.479 1.393 20 0 ECADHO C[C@H](CNC(=O)N1CCN(C2CCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000341236590 437820458 /nfs/dbraw/zinc/82/04/58/437820458.db2.gz AENQAADYUSTMSW-MRXNPFEDSA-N 1 3 337.512 0.750 20 0 ECADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000423750513 437823253 /nfs/dbraw/zinc/82/32/53/437823253.db2.gz TUSHFGSCDKINJY-QZTJIDSGSA-N 1 3 331.460 0.876 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000347077550 437825657 /nfs/dbraw/zinc/82/56/57/437825657.db2.gz CNGSVBSATKDHFB-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCO1 ZINC000423754762 437826994 /nfs/dbraw/zinc/82/69/94/437826994.db2.gz IHTKPXIPYWBVAE-ZBFHGGJFSA-N 1 3 330.432 0.827 20 0 ECADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423618089 437780033 /nfs/dbraw/zinc/78/00/33/437780033.db2.gz HDGCQFLSWABUKE-JKSUJKDBSA-N 1 3 336.480 0.517 20 0 ECADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423618089 437780040 /nfs/dbraw/zinc/78/00/40/437780040.db2.gz HDGCQFLSWABUKE-JKSUJKDBSA-N 1 3 336.480 0.517 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N(CCN)Cc3ccccc3)C2)C1 ZINC000423669647 437797329 /nfs/dbraw/zinc/79/73/29/437797329.db2.gz SWWJBQMEMNOOFB-LJQANCHMSA-N 1 3 344.459 0.528 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N(CCN)Cc3ccccc3)C2)C1 ZINC000423669647 437797331 /nfs/dbraw/zinc/79/73/31/437797331.db2.gz SWWJBQMEMNOOFB-LJQANCHMSA-N 1 3 344.459 0.528 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N(CCN)Cc3ccccc3)C2)C1 ZINC000423669642 437798232 /nfs/dbraw/zinc/79/82/32/437798232.db2.gz SWWJBQMEMNOOFB-IBGZPJMESA-N 1 3 344.459 0.528 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N(CCN)Cc3ccccc3)C2)C1 ZINC000423669642 437798236 /nfs/dbraw/zinc/79/82/36/437798236.db2.gz SWWJBQMEMNOOFB-IBGZPJMESA-N 1 3 344.459 0.528 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N(CCC[NH3+])Cc3ccccc3)C[C@@H]21 ZINC000423676904 437801004 /nfs/dbraw/zinc/80/10/04/437801004.db2.gz RKQXFSKASFQIPO-SJORKVTESA-N 1 3 344.459 0.527 20 0 ECADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000341188376 437811479 /nfs/dbraw/zinc/81/14/79/437811479.db2.gz DAAQQRYIWJRESU-ARFHVFGLSA-N 1 3 326.485 0.861 20 0 ECADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000370650646 437815164 /nfs/dbraw/zinc/81/51/64/437815164.db2.gz FGPIROPBWXAHDB-IXDOHACOSA-N 1 3 338.496 0.239 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415859487 437872768 /nfs/dbraw/zinc/87/27/68/437872768.db2.gz ATBBARJSEFEVNZ-HNNXBMFYSA-N 1 3 332.448 0.988 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1=O ZINC000365228344 437878750 /nfs/dbraw/zinc/87/87/50/437878750.db2.gz TXMUZSYFDQHWOW-VQHPVUNQSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)N(C)C1CC1 ZINC000341938619 437927980 /nfs/dbraw/zinc/92/79/80/437927980.db2.gz DPVLFMSRQQLKOP-IIAWOOMASA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)N(C)C1CC1 ZINC000341938619 437927985 /nfs/dbraw/zinc/92/79/85/437927985.db2.gz DPVLFMSRQQLKOP-IIAWOOMASA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCN(C)C1CC1)CC[NH2+]CC2 ZINC000424493121 437958160 /nfs/dbraw/zinc/95/81/60/437958160.db2.gz JSPJCVIAQOASCX-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365859745 437979178 /nfs/dbraw/zinc/97/91/78/437979178.db2.gz XZWNKNSMAGSBJP-INIZCTEOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@](O)(CNC1CC[NH+](CCN2CCOCC2)CC1)C(F)(F)F ZINC000371438138 437935592 /nfs/dbraw/zinc/93/55/92/437935592.db2.gz GVIWDWIXNYEBNS-AWEZNQCLSA-N 1 3 339.402 0.686 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)CN(C)CCC)C1 ZINC000357220234 437935900 /nfs/dbraw/zinc/93/59/00/437935900.db2.gz TVEHHNNXVVAQFX-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)C[N@H+](C)CCC)C1 ZINC000357220234 437935906 /nfs/dbraw/zinc/93/59/06/437935906.db2.gz TVEHHNNXVVAQFX-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)C[N@@H+](C)CCC)C1 ZINC000357220234 437935910 /nfs/dbraw/zinc/93/59/10/437935910.db2.gz TVEHHNNXVVAQFX-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC000357220234 437935913 /nfs/dbraw/zinc/93/59/13/437935913.db2.gz TVEHHNNXVVAQFX-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC000357220234 437935920 /nfs/dbraw/zinc/93/59/20/437935920.db2.gz TVEHHNNXVVAQFX-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000341998689 437936485 /nfs/dbraw/zinc/93/64/85/437936485.db2.gz PSZRMXLKLKPQIA-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000341998689 437936491 /nfs/dbraw/zinc/93/64/91/437936491.db2.gz PSZRMXLKLKPQIA-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000341998689 437936497 /nfs/dbraw/zinc/93/64/97/437936497.db2.gz PSZRMXLKLKPQIA-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000357581330 438015892 /nfs/dbraw/zinc/01/58/92/438015892.db2.gz KIBYOIMFSYUBFT-CYBMUJFWSA-N 1 3 336.436 0.632 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417201924 438030441 /nfs/dbraw/zinc/03/04/41/438030441.db2.gz WVNPDBDECNAJJW-IAGOWNOFSA-N 1 3 333.480 0.362 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417196096 438030449 /nfs/dbraw/zinc/03/04/49/438030449.db2.gz OWOOVIQPWIYQKY-QGZVFWFLSA-N 1 3 333.480 0.364 20 0 ECADHO CCN1CCO[C@@H](CN2CC[NH+](CCCn3ccnc3C)CC2)C1 ZINC000372255917 438056488 /nfs/dbraw/zinc/05/64/88/438056488.db2.gz PDQKPCXWTKRTCU-GOSISDBHSA-N 1 3 335.496 0.920 20 0 ECADHO COC[C@@]1(CNC(=O)NCCCN2CCCO[C@@H](C)C2)CCC[NH2+]1 ZINC000418113211 438107682 /nfs/dbraw/zinc/10/76/82/438107682.db2.gz JEJWEYMBUXQWPC-RDJZCZTQSA-N 1 3 342.484 0.555 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418158600 438111789 /nfs/dbraw/zinc/11/17/89/438111789.db2.gz CJHFSIWHXDMEHQ-GJZGRUSLSA-N 1 3 325.501 0.924 20 0 ECADHO CC[C@@H](C)N[C@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccco1 ZINC000418171790 438113992 /nfs/dbraw/zinc/11/39/92/438113992.db2.gz VQMGBDUYRITVEY-HUUCEWRRSA-N 1 3 337.468 0.913 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418302977 438127941 /nfs/dbraw/zinc/12/79/41/438127941.db2.gz MXKXGSGHVGWROT-UHFFFAOYSA-N 1 3 339.509 0.727 20 0 ECADHO C[C@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)[C@@H](C)CN1 ZINC000418198946 438118629 /nfs/dbraw/zinc/11/86/29/438118629.db2.gz WFGPBZAIVBCADS-KBPBESRZSA-N 1 3 335.452 0.914 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418771074 438185369 /nfs/dbraw/zinc/18/53/69/438185369.db2.gz RKFNXMZMZBHALK-GJZGRUSLSA-N 1 3 328.457 0.117 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000358098629 438150985 /nfs/dbraw/zinc/15/09/85/438150985.db2.gz PVUXWVDOMXJNBJ-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000358098629 438150987 /nfs/dbraw/zinc/15/09/87/438150987.db2.gz PVUXWVDOMXJNBJ-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000358106063 438154628 /nfs/dbraw/zinc/15/46/28/438154628.db2.gz FDSMIMHOOZGFGQ-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418581339 438162460 /nfs/dbraw/zinc/16/24/60/438162460.db2.gz UNDIQXPUXJHQHN-LSDHHAIUSA-N 1 3 339.484 0.276 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@H]1CCCN(CCCO)C1 ZINC000418599274 438164166 /nfs/dbraw/zinc/16/41/66/438164166.db2.gz ZKEDWABHUCOZBX-KRWDZBQOSA-N 1 3 332.448 0.936 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418607156 438165855 /nfs/dbraw/zinc/16/58/55/438165855.db2.gz AKFRTMAGJFEPJZ-MRXNPFEDSA-N 1 3 325.501 0.783 20 0 ECADHO COC[C@@]1(CNC(=O)NC[C@H](O)CN2CCC(C)CC2)CCC[NH2+]1 ZINC000418641719 438171372 /nfs/dbraw/zinc/17/13/72/438171372.db2.gz SKUDSTSTYZDIST-RDJZCZTQSA-N 1 3 342.484 0.147 20 0 ECADHO CN(C)[C@]1(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCCSC1 ZINC000367151877 438172707 /nfs/dbraw/zinc/17/27/07/438172707.db2.gz CIAKGUWHRSKNSX-QGZVFWFLSA-N 1 3 342.553 0.956 20 0 ECADHO CN(C)[C@]1(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCCSC1 ZINC000367151877 438172713 /nfs/dbraw/zinc/17/27/13/438172713.db2.gz CIAKGUWHRSKNSX-QGZVFWFLSA-N 1 3 342.553 0.956 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 ZINC000418865129 438224258 /nfs/dbraw/zinc/22/42/58/438224258.db2.gz LTOYDZWFRVEPAF-CQSZACIVSA-N 1 3 326.485 0.729 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418875273 438230961 /nfs/dbraw/zinc/23/09/61/438230961.db2.gz KFSWXLQEFNTTLZ-INIZCTEOSA-N 1 3 334.464 0.343 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418877929 438232114 /nfs/dbraw/zinc/23/21/14/438232114.db2.gz PZKUCMKKBOLWRP-HOTGVXAUSA-N 1 3 332.448 0.144 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[NH2+]1 ZINC000418878341 438232218 /nfs/dbraw/zinc/23/22/18/438232218.db2.gz QXDIGOYCFGOKSU-PVAVHDDUSA-N 1 3 346.475 0.532 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N(C)Cc1ccccc1 ZINC000418944755 438260606 /nfs/dbraw/zinc/26/06/06/438260606.db2.gz KICNEKXTLZIBCY-VYDXJSESSA-N 1 3 346.475 0.819 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351445637 438263936 /nfs/dbraw/zinc/26/39/36/438263936.db2.gz RHNIAIPJKUGCCY-FMKPAKJESA-N 1 3 327.469 0.305 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351445637 438263938 /nfs/dbraw/zinc/26/39/38/438263938.db2.gz RHNIAIPJKUGCCY-FMKPAKJESA-N 1 3 327.469 0.305 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N(C)Cc1ccccc1 ZINC000418954424 438264105 /nfs/dbraw/zinc/26/41/05/438264105.db2.gz WGAAZGCFFQETNT-BBRMVZONSA-N 1 3 332.448 0.477 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000418985812 438273448 /nfs/dbraw/zinc/27/34/48/438273448.db2.gz GBRXTQHNZSGFJM-HZPDHXFCSA-N 1 3 332.448 0.608 20 0 ECADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418992599 438274450 /nfs/dbraw/zinc/27/44/50/438274450.db2.gz JZBGTDWPLCQVHU-CJNGLKHVSA-N 1 3 332.448 0.621 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000419003109 438280976 /nfs/dbraw/zinc/28/09/76/438280976.db2.gz TXGUDJHQHGPECE-LJQANCHMSA-N 1 3 346.475 0.870 20 0 ECADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000419007608 438284323 /nfs/dbraw/zinc/28/43/23/438284323.db2.gz URTAPISDAUKJAJ-DOTOQJQBSA-N 1 3 346.475 0.820 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000351544804 438285741 /nfs/dbraw/zinc/28/57/41/438285741.db2.gz VWHJYIFDMMLQBO-DLBZAZTESA-N 1 3 344.459 0.808 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000351558719 438288549 /nfs/dbraw/zinc/28/85/49/438288549.db2.gz SGFFAMVPLGIACD-HOTGVXAUSA-N 1 3 330.432 0.245 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCNCC2)c1 ZINC000419027014 438295286 /nfs/dbraw/zinc/29/52/86/438295286.db2.gz PINIYCNNOOYTSK-UHFFFAOYSA-N 1 3 332.448 0.576 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCNCC2)c1 ZINC000419027014 438295287 /nfs/dbraw/zinc/29/52/87/438295287.db2.gz PINIYCNNOOYTSK-UHFFFAOYSA-N 1 3 332.448 0.576 20 0 ECADHO CCOC(=O)[C@](C)(O)CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368361197 438319976 /nfs/dbraw/zinc/31/99/76/438319976.db2.gz MIBXVCRKYABSBF-NVXWUHKLSA-N 1 3 327.469 0.401 20 0 ECADHO CCOC(=O)[C@](C)(O)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368361197 438319979 /nfs/dbraw/zinc/31/99/79/438319979.db2.gz MIBXVCRKYABSBF-NVXWUHKLSA-N 1 3 327.469 0.401 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000419105962 438323273 /nfs/dbraw/zinc/32/32/73/438323273.db2.gz MYOHKNFZUNLLIJ-INIZCTEOSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000351734075 438328945 /nfs/dbraw/zinc/32/89/45/438328945.db2.gz LKRPJLCKGAQBAR-IKGGRYGDSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000351734075 438328949 /nfs/dbraw/zinc/32/89/49/438328949.db2.gz LKRPJLCKGAQBAR-IKGGRYGDSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419125459 438334994 /nfs/dbraw/zinc/33/49/94/438334994.db2.gz UBAXZZFEJRXBJS-PMPSAXMXSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCCC[C@H]1CN)C(C)(C)C ZINC000419141371 438345463 /nfs/dbraw/zinc/34/54/63/438345463.db2.gz XBKIUJFBVZGORI-UONOGXRCSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419031027 438297371 /nfs/dbraw/zinc/29/73/71/438297371.db2.gz USPWKIHGIRLGDU-FXUDXRNXSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419034084 438298789 /nfs/dbraw/zinc/29/87/89/438298789.db2.gz ZEZMEVURKTXZJI-LEOABGAYSA-N 1 3 338.496 0.726 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419034083 438299930 /nfs/dbraw/zinc/29/99/30/438299930.db2.gz ZEZMEVURKTXZJI-DGADGQDISA-N 1 3 338.496 0.726 20 0 ECADHO CCCN(C(=O)C(=O)NCCN1CCCC[C@H]1CC)[C@H]1CC[NH2+]C1 ZINC000419075367 438310912 /nfs/dbraw/zinc/31/09/12/438310912.db2.gz FTEGZKFRLDZNFT-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C1=CCN(C)CC1 ZINC000351677012 438316157 /nfs/dbraw/zinc/31/61/57/438316157.db2.gz WBTJAYLPXVCYGO-IMJJTQAJSA-N 1 3 336.480 0.742 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419173470 438348535 /nfs/dbraw/zinc/34/85/35/438348535.db2.gz VFQZANSRQYQTOG-IAGOWNOFSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])N1CCC(C)CC1 ZINC000419146765 438349541 /nfs/dbraw/zinc/34/95/41/438349541.db2.gz IBVVWKKJOQQVFG-AWEZNQCLSA-N 1 3 326.485 0.666 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419302755 438353413 /nfs/dbraw/zinc/35/34/13/438353413.db2.gz HEVGALSDPQPJEA-HNNXBMFYSA-N 1 3 338.496 0.999 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000419377589 438354717 /nfs/dbraw/zinc/35/47/17/438354717.db2.gz UXFWESGKMCHEKL-HZPDHXFCSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419402341 438355480 /nfs/dbraw/zinc/35/54/80/438355480.db2.gz CHBIXSXESTUJOL-RDBSUJKOSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419402341 438355485 /nfs/dbraw/zinc/35/54/85/438355485.db2.gz CHBIXSXESTUJOL-RDBSUJKOSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1CN ZINC000419384317 438355816 /nfs/dbraw/zinc/35/58/16/438355816.db2.gz KDRPQRFSGNCKSN-NIOBXDJOSA-N 1 3 336.480 0.704 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1CN ZINC000419384317 438355822 /nfs/dbraw/zinc/35/58/22/438355822.db2.gz KDRPQRFSGNCKSN-NIOBXDJOSA-N 1 3 336.480 0.704 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419663471 438364689 /nfs/dbraw/zinc/36/46/89/438364689.db2.gz QAZDTJGLQWAAHQ-HLLBOEOZSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C[C@H]1C[NH3+] ZINC000419692769 438366175 /nfs/dbraw/zinc/36/61/75/438366175.db2.gz HFMMQHMHMSEYIZ-RBSFLKMASA-N 1 3 336.480 0.563 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419696816 438367054 /nfs/dbraw/zinc/36/70/54/438367054.db2.gz PFBBFVNFGWYGMN-RBSFLKMASA-N 1 3 334.464 0.187 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419699695 438369455 /nfs/dbraw/zinc/36/94/55/438369455.db2.gz RJALIRIZRDPKSR-CABCVRRESA-N 1 3 326.485 0.727 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419848753 438373360 /nfs/dbraw/zinc/37/33/60/438373360.db2.gz WWVMHSSHKYDKBX-CYBMUJFWSA-N 1 3 338.477 0.507 20 0 ECADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419887056 438375898 /nfs/dbraw/zinc/37/58/98/438375898.db2.gz PZVGUPRWCFHJGZ-KRWDZBQOSA-N 1 3 346.475 0.835 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000419978622 438379099 /nfs/dbraw/zinc/37/90/99/438379099.db2.gz OLIHAWSMTZLQPT-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419984113 438382021 /nfs/dbraw/zinc/38/20/21/438382021.db2.gz VNVTYBQDEJMYBX-HZPDHXFCSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420032510 438384076 /nfs/dbraw/zinc/38/40/76/438384076.db2.gz ICCJZQKRPTVZDU-ZIAGYGMSSA-N 1 3 342.484 0.262 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CCCC1 ZINC000420078383 438385115 /nfs/dbraw/zinc/38/51/15/438385115.db2.gz ZJUAAGSGYPTTAU-CVEARBPZSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000359372529 438422842 /nfs/dbraw/zinc/42/28/42/438422842.db2.gz MTAOHUANFHVNEO-GPANFISMSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359391568 438425343 /nfs/dbraw/zinc/42/53/43/438425343.db2.gz OKTYCVMNDUIKEC-HNNXBMFYSA-N 1 3 337.512 0.891 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359391568 438425348 /nfs/dbraw/zinc/42/53/48/438425348.db2.gz OKTYCVMNDUIKEC-HNNXBMFYSA-N 1 3 337.512 0.891 20 0 ECADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000390741958 438433303 /nfs/dbraw/zinc/43/33/03/438433303.db2.gz MPECNXHDJAXXOW-KRWDZBQOSA-N 1 3 344.459 0.589 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1C ZINC000359450895 438437949 /nfs/dbraw/zinc/43/79/49/438437949.db2.gz ZCUCFJPHAFOHFU-LMPOIIKSSA-N 1 3 338.496 0.822 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000359456294 438439630 /nfs/dbraw/zinc/43/96/30/438439630.db2.gz IQWTUFPZPNNROP-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000420313431 438397789 /nfs/dbraw/zinc/39/77/89/438397789.db2.gz JWEAMMOEWIPASB-CVEARBPZSA-N 1 3 333.432 0.682 20 0 ECADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000420313431 438397792 /nfs/dbraw/zinc/39/77/92/438397792.db2.gz JWEAMMOEWIPASB-CVEARBPZSA-N 1 3 333.432 0.682 20 0 ECADHO COC(=O)CN(C)C(=O)CCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420313431 438397797 /nfs/dbraw/zinc/39/77/97/438397797.db2.gz JWEAMMOEWIPASB-CVEARBPZSA-N 1 3 333.432 0.682 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCN(C)C2CC2)CC1 ZINC000352733229 438465726 /nfs/dbraw/zinc/46/57/26/438465726.db2.gz WVNKIUKXVILJTJ-UHFFFAOYSA-N 1 3 339.484 0.323 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353714260 438527336 /nfs/dbraw/zinc/52/73/36/438527336.db2.gz UWYUPOUFNSBQQE-INIZCTEOSA-N 1 3 337.512 0.750 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000353714260 438527339 /nfs/dbraw/zinc/52/73/39/438527339.db2.gz UWYUPOUFNSBQQE-INIZCTEOSA-N 1 3 337.512 0.750 20 0 ECADHO C[NH+](C)C1(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CCOCC1 ZINC000369921327 438527562 /nfs/dbraw/zinc/52/75/62/438527562.db2.gz WFGZYVCOHJBHGL-QWQRMKEZSA-N 1 3 339.480 0.746 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422265135 438537986 /nfs/dbraw/zinc/53/79/86/438537986.db2.gz VBPHQHDALNNGFC-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422265135 438537989 /nfs/dbraw/zinc/53/79/89/438537989.db2.gz VBPHQHDALNNGFC-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422307343 438549165 /nfs/dbraw/zinc/54/91/65/438549165.db2.gz NTKGQPXDJASGMS-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422307343 438549167 /nfs/dbraw/zinc/54/91/67/438549167.db2.gz NTKGQPXDJASGMS-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000440985553 438573211 /nfs/dbraw/zinc/57/32/11/438573211.db2.gz UERNGVKWSJCDFK-HUUCEWRRSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000440985553 438573213 /nfs/dbraw/zinc/57/32/13/438573213.db2.gz UERNGVKWSJCDFK-HUUCEWRRSA-N 1 3 325.501 0.794 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000422549953 438588535 /nfs/dbraw/zinc/58/85/35/438588535.db2.gz IYQJJZQGSRDZQR-UHFFFAOYSA-N 1 3 331.486 0.467 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000410471463 438588803 /nfs/dbraw/zinc/58/88/03/438588803.db2.gz QHMUSMONQWVNFY-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000410471463 438588805 /nfs/dbraw/zinc/58/88/05/438588805.db2.gz QHMUSMONQWVNFY-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)N1CCSCC1 ZINC000442644448 438615154 /nfs/dbraw/zinc/61/51/54/438615154.db2.gz HRRQGTAPJUCXSG-HNNXBMFYSA-N 1 3 342.553 0.908 20 0 ECADHO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)N1CCSCC1 ZINC000442644448 438615156 /nfs/dbraw/zinc/61/51/56/438615156.db2.gz HRRQGTAPJUCXSG-HNNXBMFYSA-N 1 3 342.553 0.908 20 0 ECADHO C[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)N1CCSCC1 ZINC000442644448 438615158 /nfs/dbraw/zinc/61/51/58/438615158.db2.gz HRRQGTAPJUCXSG-HNNXBMFYSA-N 1 3 342.553 0.908 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C(C)C ZINC000410777692 438656537 /nfs/dbraw/zinc/65/65/37/438656537.db2.gz VWWKVLNGWDILBT-JKSUJKDBSA-N 1 3 338.496 0.726 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423152580 438642542 /nfs/dbraw/zinc/64/25/42/438642542.db2.gz LXFSKBPQADSAHJ-ARFHVFGLSA-N 1 3 336.480 0.659 20 0 ECADHO COC[C@]1(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)CC[NH2+]C1 ZINC000423348787 438665704 /nfs/dbraw/zinc/66/57/04/438665704.db2.gz UZJYZTBYJUENBC-ZOBUZTSGSA-N 1 3 327.469 0.618 20 0 ECADHO FC(F)(F)[C@H](CN[C@@H](C1CC1)[C@H]1CNCCO1)N1CC[NH2+]CC1 ZINC000423381402 438669725 /nfs/dbraw/zinc/66/97/25/438669725.db2.gz FNBGOZVGXPHSDJ-RDBSUJKOSA-N 1 3 336.402 0.179 20 0 ECADHO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423418621 438673793 /nfs/dbraw/zinc/67/37/93/438673793.db2.gz HRJJNQULQPTEKB-UHFFFAOYSA-N 1 3 326.485 0.764 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423510683 438681700 /nfs/dbraw/zinc/68/17/00/438681700.db2.gz PMURFEWASZUXGA-MRXNPFEDSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423521566 438683978 /nfs/dbraw/zinc/68/39/78/438683978.db2.gz XCQZAGGGPIBSOO-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414834487 438718020 /nfs/dbraw/zinc/71/80/20/438718020.db2.gz CDIDBGPNBJILSY-UHFFFAOYSA-N 1 3 348.447 0.811 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414837996 438718155 /nfs/dbraw/zinc/71/81/55/438718155.db2.gz HYBZEUOQYRXGNH-HNNXBMFYSA-N 1 3 346.431 0.708 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414837996 438718158 /nfs/dbraw/zinc/71/81/58/438718158.db2.gz HYBZEUOQYRXGNH-HNNXBMFYSA-N 1 3 346.431 0.708 20 0 ECADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCNc1ccncc1 ZINC000414858752 438719059 /nfs/dbraw/zinc/71/90/59/438719059.db2.gz LCLOGQGYJGRCMA-UHFFFAOYSA-N 1 3 341.415 0.780 20 0 ECADHO C[N@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000574928368 438729064 /nfs/dbraw/zinc/72/90/64/438729064.db2.gz SZZMJXZEPICZED-HZPDHXFCSA-N 1 3 345.447 0.072 20 0 ECADHO C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000574928368 438729068 /nfs/dbraw/zinc/72/90/68/438729068.db2.gz SZZMJXZEPICZED-HZPDHXFCSA-N 1 3 345.447 0.072 20 0 ECADHO CCOC[C@H](O)CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000575248873 438743246 /nfs/dbraw/zinc/74/32/46/438743246.db2.gz WQHJVSGHGWFUAV-QZTJIDSGSA-N 1 3 349.475 0.871 20 0 ECADHO CCOC[C@H](O)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000575248873 438743248 /nfs/dbraw/zinc/74/32/48/438743248.db2.gz WQHJVSGHGWFUAV-QZTJIDSGSA-N 1 3 349.475 0.871 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000557226991 438795708 /nfs/dbraw/zinc/79/57/08/438795708.db2.gz CBNBVJUUKAEYMY-CABCVRRESA-N 1 3 337.468 0.077 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])CN1Cc1ccccc1 ZINC000557184658 438796579 /nfs/dbraw/zinc/79/65/79/438796579.db2.gz XPDLQLFNDCYPII-BPQIPLTHSA-N 1 3 345.491 0.934 20 0 ECADHO Cc1ccc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000557256772 438797341 /nfs/dbraw/zinc/79/73/41/438797341.db2.gz FIDRTUNCRZERBE-UHFFFAOYSA-N 1 3 349.479 0.001 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCC[N@H+](C)C3CCCC3)C[C@H]2N)cn1 ZINC000576980914 438805906 /nfs/dbraw/zinc/80/59/06/438805906.db2.gz ZDKAMMXNMOWKAP-JKSUJKDBSA-N 1 3 334.468 0.731 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCC[N@@H+](C)C3CCCC3)C[C@H]2N)cn1 ZINC000576980914 438805907 /nfs/dbraw/zinc/80/59/07/438805907.db2.gz ZDKAMMXNMOWKAP-JKSUJKDBSA-N 1 3 334.468 0.731 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000457680163 438819790 /nfs/dbraw/zinc/81/97/90/438819790.db2.gz BMXPZESTUSFSPL-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000457680163 438819795 /nfs/dbraw/zinc/81/97/95/438819795.db2.gz BMXPZESTUSFSPL-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000577177898 438820562 /nfs/dbraw/zinc/82/05/62/438820562.db2.gz BWQBOMYULBZARF-ZBFHGGJFSA-N 1 3 331.420 0.324 20 0 ECADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000457680159 438820687 /nfs/dbraw/zinc/82/06/87/438820687.db2.gz BMXPZESTUSFSPL-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000457680159 438820691 /nfs/dbraw/zinc/82/06/91/438820691.db2.gz BMXPZESTUSFSPL-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO CN1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H](CN)C1 ZINC000577368283 438834400 /nfs/dbraw/zinc/83/44/00/438834400.db2.gz JLBZYCQSHQSBHC-STWSTGMMSA-N 1 3 335.496 0.424 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCO)CCOC)CC2)CC1 ZINC000577505173 438849468 /nfs/dbraw/zinc/84/94/68/438849468.db2.gz WHGPFGZRYBMHAS-UHFFFAOYSA-N 1 3 341.496 0.650 20 0 ECADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000595952973 438898021 /nfs/dbraw/zinc/89/80/21/438898021.db2.gz VSPGMURZMYJKNU-KKUMJFAQSA-N 1 3 325.453 0.990 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000458686352 438908448 /nfs/dbraw/zinc/90/84/48/438908448.db2.gz GFEGKBDSBTWBTJ-UHFFFAOYSA-N 1 3 343.516 0.280 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000515491520 438871769 /nfs/dbraw/zinc/87/17/69/438871769.db2.gz GYBQSRHQBGIVLA-YYIAUSFCSA-N 1 3 348.491 0.815 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000515491520 438871772 /nfs/dbraw/zinc/87/17/72/438871772.db2.gz GYBQSRHQBGIVLA-YYIAUSFCSA-N 1 3 348.491 0.815 20 0 ECADHO CC[NH2+]CC1CCN([C@@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC000595892985 438878140 /nfs/dbraw/zinc/87/81/40/438878140.db2.gz SUFOVNZDLZPUMA-OAHLLOKOSA-N 1 3 325.453 0.862 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCN1CCCOCC1 ZINC000458833756 438921398 /nfs/dbraw/zinc/92/13/98/438921398.db2.gz BIQLXYXOSSXCJF-UHFFFAOYSA-N 1 3 343.516 0.234 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCCN1CCCOCC1 ZINC000458833756 438921403 /nfs/dbraw/zinc/92/14/03/438921403.db2.gz BIQLXYXOSSXCJF-UHFFFAOYSA-N 1 3 343.516 0.234 20 0 ECADHO CN(CCCN(C)C(=O)NCCN1CCCOCC1)CC[NH+](C)C ZINC000458833756 438921407 /nfs/dbraw/zinc/92/14/07/438921407.db2.gz BIQLXYXOSSXCJF-UHFFFAOYSA-N 1 3 343.516 0.234 20 0 ECADHO O=C(CNC1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCNCC1 ZINC000578433766 438921963 /nfs/dbraw/zinc/92/19/63/438921963.db2.gz AVIZODNFWJMZLT-UHFFFAOYSA-N 1 3 348.466 0.854 20 0 ECADHO O=C(C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCNCC1 ZINC000578433766 438921965 /nfs/dbraw/zinc/92/19/65/438921965.db2.gz AVIZODNFWJMZLT-UHFFFAOYSA-N 1 3 348.466 0.854 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CN(C(C)=O)C3)CC2)CC1 ZINC000565190422 438923965 /nfs/dbraw/zinc/92/39/65/438923965.db2.gz UBNPYRMUKUXYAW-UHFFFAOYSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C1CC1 ZINC000565359215 438944099 /nfs/dbraw/zinc/94/40/99/438944099.db2.gz OQPMYXMZQSCQPK-YXJHDRRASA-N 1 3 335.496 0.848 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000565254395 438936997 /nfs/dbraw/zinc/93/69/97/438936997.db2.gz NLBYVGQAZDDVBD-GJZGRUSLSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000565256044 438937844 /nfs/dbraw/zinc/93/78/44/438937844.db2.gz YQOBSEBPGCOIMF-NVXWUHKLSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CN1C1CC1 ZINC000517022643 438945680 /nfs/dbraw/zinc/94/56/80/438945680.db2.gz WODFFJMROWLIFK-HLLBOEOZSA-N 1 3 348.491 0.815 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000517036350 438947971 /nfs/dbraw/zinc/94/79/71/438947971.db2.gz DGOXUCGFZBOITQ-HNNXBMFYSA-N 1 3 338.496 0.810 20 0 ECADHO Cc1ccc(NC(=O)C2CCN(CCN3CC[NH2+]CC3)CC2)nc1 ZINC000566072077 439002672 /nfs/dbraw/zinc/00/26/72/439002672.db2.gz UQAAHRBNZMPUSQ-UHFFFAOYSA-N 1 3 331.464 0.946 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000518540239 439003021 /nfs/dbraw/zinc/00/30/21/439003021.db2.gz CTRZSSHYMGVJBA-QQFBHYJXSA-N 1 3 326.485 0.415 20 0 ECADHO CSCC[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566206066 439024876 /nfs/dbraw/zinc/02/48/76/439024876.db2.gz MONGYGAKGRHQMU-VHSXEESVSA-N 1 3 328.404 0.019 20 0 ECADHO C[NH+](C)CC1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000579735654 439035993 /nfs/dbraw/zinc/03/59/93/439035993.db2.gz JRUCCZPRXHJWMP-CVSAEHQPSA-N 1 3 337.468 0.060 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000566835996 439093310 /nfs/dbraw/zinc/09/33/10/439093310.db2.gz BLGRNJKBBDLSMK-UHFFFAOYSA-N 1 3 341.843 0.625 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000602509952 439100678 /nfs/dbraw/zinc/10/06/78/439100678.db2.gz QCEIXRSMHYTZIO-RHSMWYFYSA-N 1 3 341.452 0.145 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000602509951 439101232 /nfs/dbraw/zinc/10/12/32/439101232.db2.gz QCEIXRSMHYTZIO-PBHICJAKSA-N 1 3 341.452 0.145 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000580540853 439102368 /nfs/dbraw/zinc/10/23/68/439102368.db2.gz XKEAOKZVQJBLGI-CABCVRRESA-N 1 3 349.483 0.862 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(CC[NH3+])CC2)C1 ZINC000580561267 439105480 /nfs/dbraw/zinc/10/54/80/439105480.db2.gz RSBFVAWMTOHPCD-QGZVFWFLSA-N 1 3 340.512 0.520 20 0 ECADHO O=C(NC[C@@H]1CCCN(C(=O)C23CCCN2CCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000566618042 439076074 /nfs/dbraw/zinc/07/60/74/439076074.db2.gz YQGOYNDIBGBDFF-HOTGVXAUSA-N 1 3 348.491 0.722 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000580302518 439077864 /nfs/dbraw/zinc/07/78/64/439077864.db2.gz YLOJPJQWLKAMSV-OIISXLGYSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000520375604 439081536 /nfs/dbraw/zinc/08/15/36/439081536.db2.gz UDXDXTANJLLKLO-UGUYLWEFSA-N 1 3 336.480 0.481 20 0 ECADHO CCCN(C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000580881926 439141184 /nfs/dbraw/zinc/14/11/84/439141184.db2.gz GHSIIPOCDJWMGE-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000580887096 439141448 /nfs/dbraw/zinc/14/14/48/439141448.db2.gz AGXYAJJSSCEZNP-IIDMSEBBSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000567880227 439190838 /nfs/dbraw/zinc/19/08/38/439190838.db2.gz DXAZAZZWJXJGCN-GJZGRUSLSA-N 1 3 334.464 0.867 20 0 ECADHO Cc1noc(CCCN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000567891184 439193512 /nfs/dbraw/zinc/19/35/12/439193512.db2.gz LCEDJZJPFZFOST-HUUCEWRRSA-N 1 3 335.452 0.891 20 0 ECADHO Cc1noc(CCCN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000567891183 439193629 /nfs/dbraw/zinc/19/36/29/439193629.db2.gz LCEDJZJPFZFOST-GJZGRUSLSA-N 1 3 335.452 0.891 20 0 ECADHO O=C1N[C@@H]2CN(C[C@@H]3CCCC[C@@H]3O)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000568051650 439208842 /nfs/dbraw/zinc/20/88/42/439208842.db2.gz WEBMTTHJTIZOGD-ORQFMDKSSA-N 1 3 336.480 0.758 20 0 ECADHO C[C@H](CNc1cc(=NC[C@H](C)C[NH+](C)C)nc2nc[n-]n21)C[NH+](C)C ZINC000489005767 439210879 /nfs/dbraw/zinc/21/08/79/439210879.db2.gz CHEZXEPLRBAMHX-UONOGXRCSA-N 1 3 348.499 0.765 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000568117830 439214722 /nfs/dbraw/zinc/21/47/22/439214722.db2.gz OEJHBOGDYHKPIF-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000568391730 439242999 /nfs/dbraw/zinc/24/29/99/439242999.db2.gz LVHZDJBRHZUQMD-QLFBSQMISA-N 1 3 326.485 0.999 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000568391731 439243072 /nfs/dbraw/zinc/24/30/72/439243072.db2.gz LVHZDJBRHZUQMD-RBSFLKMASA-N 1 3 326.485 0.999 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000568391732 439243517 /nfs/dbraw/zinc/24/35/17/439243517.db2.gz LVHZDJBRHZUQMD-RRFJBIMHSA-N 1 3 326.485 0.999 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC1CNC1 ZINC000568858115 439284460 /nfs/dbraw/zinc/28/44/60/439284460.db2.gz IGKRERSWGTVVSK-XJKSGUPXSA-N 1 3 330.432 0.101 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC1CNC1 ZINC000568858115 439284469 /nfs/dbraw/zinc/28/44/69/439284469.db2.gz IGKRERSWGTVVSK-XJKSGUPXSA-N 1 3 330.432 0.101 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000568610201 439262089 /nfs/dbraw/zinc/26/20/89/439262089.db2.gz UOYVJWNZBPKFKY-JKSUJKDBSA-N 1 3 338.496 0.955 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CCSC1 ZINC000592957158 439319941 /nfs/dbraw/zinc/31/99/41/439319941.db2.gz LISFIJXONJILBB-BLLLJJGKSA-N 1 3 337.493 0.886 20 0 ECADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)C1 ZINC000604656281 439324751 /nfs/dbraw/zinc/32/47/51/439324751.db2.gz LCWDPGMLJNKVOL-DOTOQJQBSA-N 1 3 335.496 0.645 20 0 ECADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)C1 ZINC000604656281 439324755 /nfs/dbraw/zinc/32/47/55/439324755.db2.gz LCWDPGMLJNKVOL-DOTOQJQBSA-N 1 3 335.496 0.645 20 0 ECADHO C[C@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582476689 439338116 /nfs/dbraw/zinc/33/81/16/439338116.db2.gz GTJAYTVKJGOGHH-DZGCQCFKSA-N 1 3 330.432 0.101 20 0 ECADHO C[C@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582476689 439338121 /nfs/dbraw/zinc/33/81/21/439338121.db2.gz GTJAYTVKJGOGHH-DZGCQCFKSA-N 1 3 330.432 0.101 20 0 ECADHO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000582183877 439302980 /nfs/dbraw/zinc/30/29/80/439302980.db2.gz DBZKLVHDYIHKBX-GFCCVEGCSA-N 1 3 335.408 0.052 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000569576022 439345290 /nfs/dbraw/zinc/34/52/90/439345290.db2.gz CERYVOHGRRUNCB-GOSISDBHSA-N 1 3 345.491 0.855 20 0 ECADHO O=C(C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000569711572 439356487 /nfs/dbraw/zinc/35/64/87/439356487.db2.gz SDEJUCGRCHCQBG-JYJNAYRXSA-N 1 3 334.464 0.141 20 0 ECADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000582871550 439389810 /nfs/dbraw/zinc/38/98/10/439389810.db2.gz LOITZQGASYXFGP-XOSAIJSUSA-N 1 3 348.491 0.671 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000570272758 439405861 /nfs/dbraw/zinc/40/58/61/439405861.db2.gz GHUNIGUQLAIAEP-OALUTQOASA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000570272758 439405865 /nfs/dbraw/zinc/40/58/65/439405865.db2.gz GHUNIGUQLAIAEP-OALUTQOASA-N 1 3 338.540 0.981 20 0 ECADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000582839333 439385209 /nfs/dbraw/zinc/38/52/09/439385209.db2.gz WMPDMPIFVOFDQZ-JKSUJKDBSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)[C@@H]1CNCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000529342045 439411279 /nfs/dbraw/zinc/41/12/79/439411279.db2.gz ZQWRIAUVSVYVEC-JCYILVPMSA-N 1 3 337.512 0.842 20 0 ECADHO CC(C)[C@@H]1CNCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000529342045 439411281 /nfs/dbraw/zinc/41/12/81/439411281.db2.gz ZQWRIAUVSVYVEC-JCYILVPMSA-N 1 3 337.512 0.842 20 0 ECADHO O=C(C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000583137916 439424597 /nfs/dbraw/zinc/42/45/97/439424597.db2.gz SELGZZGZTHZLHW-IRXDYDNUSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN2CCC[C@@H]2C1 ZINC000571312848 439494736 /nfs/dbraw/zinc/49/47/36/439494736.db2.gz IOSUNTQTWZLBLY-ARFHVFGLSA-N 1 3 334.464 0.141 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCN2 ZINC000571414944 439500248 /nfs/dbraw/zinc/50/02/48/439500248.db2.gz MOERMGDLWKMWFK-UHFFFAOYSA-N 1 3 347.463 0.545 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccco1 ZINC000572085213 439553714 /nfs/dbraw/zinc/55/37/14/439553714.db2.gz UOBVERIBOJHZLR-UHFFFAOYSA-N 1 3 339.440 0.144 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000594435429 439558948 /nfs/dbraw/zinc/55/89/48/439558948.db2.gz CGVJWRAGGSFRDU-YJBOKZPZSA-N 1 3 337.464 0.767 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC000572476282 439585610 /nfs/dbraw/zinc/58/56/10/439585610.db2.gz OKTAJDXCSAVIAQ-BRWVUGGUSA-N 1 3 342.528 0.072 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NCCC(=O)Nc2cccnc2)CC1 ZINC000572631767 439600025 /nfs/dbraw/zinc/60/00/25/439600025.db2.gz GANDMFMDIAFFQD-UHFFFAOYSA-N 1 3 347.463 0.943 20 0 ECADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)C1 ZINC000572699775 439603485 /nfs/dbraw/zinc/60/34/85/439603485.db2.gz QZVWZEFEOBQTIG-QFBILLFUSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)C1 ZINC000572699775 439603489 /nfs/dbraw/zinc/60/34/89/439603489.db2.gz QZVWZEFEOBQTIG-QFBILLFUSA-N 1 3 348.491 0.627 20 0 ECADHO N[C@H]1C[C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CCN2C1=O ZINC000594873686 439634995 /nfs/dbraw/zinc/63/49/95/439634995.db2.gz KYHRELXJUNJNJK-CVEARBPZSA-N 1 3 342.443 0.078 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000587089408 439665685 /nfs/dbraw/zinc/66/56/85/439665685.db2.gz FDEDWJMLUQFMHH-GJZGRUSLSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000587089408 439665688 /nfs/dbraw/zinc/66/56/88/439665688.db2.gz FDEDWJMLUQFMHH-GJZGRUSLSA-N 1 3 339.484 0.323 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000572961078 439620377 /nfs/dbraw/zinc/62/03/77/439620377.db2.gz YDHQWAWFEPDHST-PBHICJAKSA-N 1 3 346.475 0.918 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3(N)CCC3)c2)C1 ZINC000574570582 439713727 /nfs/dbraw/zinc/71/37/27/439713727.db2.gz KUHWZJFCIXVRAB-MRXNPFEDSA-N 1 3 344.459 0.882 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C3(N)CCC3)c2)C1 ZINC000574570582 439713728 /nfs/dbraw/zinc/71/37/28/439713728.db2.gz KUHWZJFCIXVRAB-MRXNPFEDSA-N 1 3 344.459 0.882 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CCN2C1=O ZINC000595270247 439687281 /nfs/dbraw/zinc/68/72/81/439687281.db2.gz PCDPQJUPYCXEEE-VNQPRFMTSA-N 1 3 349.479 0.347 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)CCN2C1=O ZINC000595270247 439687285 /nfs/dbraw/zinc/68/72/85/439687285.db2.gz PCDPQJUPYCXEEE-VNQPRFMTSA-N 1 3 349.479 0.347 20 0 ECADHO COC(=O)CCN1CCC[C@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000595296524 439693342 /nfs/dbraw/zinc/69/33/42/439693342.db2.gz KNSJULQXHRBQGC-HNNXBMFYSA-N 1 3 325.453 0.814 20 0 ECADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)NC2CNC2)cc1 ZINC000574262816 439693961 /nfs/dbraw/zinc/69/39/61/439693961.db2.gz UNYIDEJYTASACR-UHFFFAOYSA-N 1 3 348.447 0.111 20 0 ECADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000613956745 439766803 /nfs/dbraw/zinc/76/68/03/439766803.db2.gz NODHKABACSRZFQ-KLHDSHLOSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000613956745 439766804 /nfs/dbraw/zinc/76/68/04/439766804.db2.gz NODHKABACSRZFQ-KLHDSHLOSA-N 1 3 338.496 0.679 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000612544422 439725817 /nfs/dbraw/zinc/72/58/17/439725817.db2.gz CQNUVSGYEITJSJ-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(CC)C1 ZINC000611955845 439738776 /nfs/dbraw/zinc/73/87/76/439738776.db2.gz LFFHSRPBLIHBAR-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(CC)C1 ZINC000611955845 439738777 /nfs/dbraw/zinc/73/87/77/439738777.db2.gz LFFHSRPBLIHBAR-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000611957600 439738842 /nfs/dbraw/zinc/73/88/42/439738842.db2.gz WXBAEHNPMKJHNX-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000611957600 439738844 /nfs/dbraw/zinc/73/88/44/439738844.db2.gz WXBAEHNPMKJHNX-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000612037362 439744816 /nfs/dbraw/zinc/74/48/16/439744816.db2.gz KUPXVYNAQNSKJG-HRCADAONSA-N 1 3 338.496 0.679 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000612045595 439745266 /nfs/dbraw/zinc/74/52/66/439745266.db2.gz VIPHNEYIQRDFKK-HRCADAONSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000612045595 439745267 /nfs/dbraw/zinc/74/52/67/439745267.db2.gz VIPHNEYIQRDFKK-HRCADAONSA-N 1 3 336.480 0.720 20 0 ECADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000662683977 439845662 /nfs/dbraw/zinc/84/56/62/439845662.db2.gz UZAMSHQOGQAHET-IAGOWNOFSA-N 1 3 333.432 0.946 20 0 ECADHO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652700929 439929873 /nfs/dbraw/zinc/92/98/73/439929873.db2.gz WVAGBGJOMXUCJC-KGLIPLIRSA-N 1 3 340.468 0.160 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@@H+]1C ZINC000626806167 439889906 /nfs/dbraw/zinc/88/99/06/439889906.db2.gz CGUHEJGCIOXWCC-SWLSCSKDSA-N 1 3 346.431 0.706 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@H+]1C ZINC000626806167 439889910 /nfs/dbraw/zinc/88/99/10/439889910.db2.gz CGUHEJGCIOXWCC-SWLSCSKDSA-N 1 3 346.431 0.706 20 0 ECADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652625849 439896281 /nfs/dbraw/zinc/89/62/81/439896281.db2.gz ODQJGCWFNVBDIF-UHFFFAOYSA-N 1 3 344.419 0.741 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000652645339 439902113 /nfs/dbraw/zinc/90/21/13/439902113.db2.gz XFZRGMYYDCOBBI-UHFFFAOYSA-N 1 3 348.447 0.907 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000652682491 439916323 /nfs/dbraw/zinc/91/63/23/439916323.db2.gz MDJKOROBWDRMKP-UHFFFAOYSA-N 1 3 346.475 0.870 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000626867531 439921827 /nfs/dbraw/zinc/92/18/27/439921827.db2.gz BJJPTMLXCJITHN-JKSUJKDBSA-N 1 3 348.447 0.822 20 0 ECADHO C[C@@H]1CCCCN1CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631909481 439970058 /nfs/dbraw/zinc/97/00/58/439970058.db2.gz GAOGUPLEWFDDPN-CQSZACIVSA-N 1 3 332.514 0.769 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626986589 439980835 /nfs/dbraw/zinc/98/08/35/439980835.db2.gz KJRWEZYPJUKGOH-PMPSAXMXSA-N 1 3 325.501 0.700 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000642439845 439981208 /nfs/dbraw/zinc/98/12/08/439981208.db2.gz PFIUGGJFXHSPAL-LSDHHAIUSA-N 1 3 326.485 0.809 20 0 ECADHO Cc1ccncc1CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000658535715 439985710 /nfs/dbraw/zinc/98/57/10/439985710.db2.gz JILSGQHTKNBFHQ-UHFFFAOYSA-N 1 3 349.479 0.001 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000652731456 439950789 /nfs/dbraw/zinc/95/07/89/439950789.db2.gz LDYLEVSNPBEFME-XYPWUTKMSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000662943023 439958558 /nfs/dbraw/zinc/95/85/58/439958558.db2.gz OLDXOZWSUFYMEA-INIZCTEOSA-N 1 3 338.496 0.871 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)C2(NC3CC3)CCC2)CC1 ZINC000662942251 439959485 /nfs/dbraw/zinc/95/94/85/439959485.db2.gz KGISMNVNMPXLSB-UHFFFAOYSA-N 1 3 336.480 0.768 20 0 ECADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017810 439991885 /nfs/dbraw/zinc/99/18/85/439991885.db2.gz LXXCTWLEZWIGQA-IHRRRGAJSA-N 1 3 334.468 0.509 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC[N@@H+]1C ZINC000636700454 440000304 /nfs/dbraw/zinc/00/03/04/440000304.db2.gz BFHOONBLJLWTPX-YCPHGPKFSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC[N@H+]1C ZINC000636700454 440000308 /nfs/dbraw/zinc/00/03/08/440000308.db2.gz BFHOONBLJLWTPX-YCPHGPKFSA-N 1 3 336.480 0.718 20 0 ECADHO CN(C)CCn1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cn1 ZINC000631962338 440013677 /nfs/dbraw/zinc/01/36/77/440013677.db2.gz MJRVEEJMZZJGFO-INIZCTEOSA-N 1 3 337.468 0.411 20 0 ECADHO CN(C)CCn1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cn1 ZINC000631962338 440013684 /nfs/dbraw/zinc/01/36/84/440013684.db2.gz MJRVEEJMZZJGFO-INIZCTEOSA-N 1 3 337.468 0.411 20 0 ECADHO C[C@]1(C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]C1 ZINC000663014655 439988078 /nfs/dbraw/zinc/98/80/78/439988078.db2.gz MYDRFVIKOXVKFM-KDOFPFPSSA-N 1 3 346.479 0.525 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](O)CNC[C@@H](O)C[NH+]1CCCCC1 ZINC000647517949 440060934 /nfs/dbraw/zinc/06/09/34/440060934.db2.gz WGPMACCPYVSCHK-RBUKOAKNSA-N 1 3 335.492 0.916 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000627240607 440061661 /nfs/dbraw/zinc/06/16/61/440061661.db2.gz SZPBWSYJMSKISE-DZJNRPSUSA-N 1 3 346.475 0.919 20 0 ECADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@H](CO)CN1CCCCC1 ZINC000647535788 440065582 /nfs/dbraw/zinc/06/55/82/440065582.db2.gz MYVZXAMLPHRQNN-RTBURBONSA-N 1 3 335.492 0.916 20 0 ECADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@@H](CO)CN1CCCCC1 ZINC000647535788 440065588 /nfs/dbraw/zinc/06/55/88/440065588.db2.gz MYVZXAMLPHRQNN-RTBURBONSA-N 1 3 335.492 0.916 20 0 ECADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@H](CO)CN1CCCCC1 ZINC000647535786 440066365 /nfs/dbraw/zinc/06/63/65/440066365.db2.gz MYVZXAMLPHRQNN-OALUTQOASA-N 1 3 335.492 0.916 20 0 ECADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN[C@H](CO)CN1CCCCC1 ZINC000647535786 440066372 /nfs/dbraw/zinc/06/63/72/440066372.db2.gz MYVZXAMLPHRQNN-OALUTQOASA-N 1 3 335.492 0.916 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642940933 440067283 /nfs/dbraw/zinc/06/72/83/440067283.db2.gz KYLPOOFOMPMLAF-AWEZNQCLSA-N 1 3 333.436 0.220 20 0 ECADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642950427 440067364 /nfs/dbraw/zinc/06/73/64/440067364.db2.gz POJVXKSDONFPEU-HOCLYGCPSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000632129037 440088607 /nfs/dbraw/zinc/08/86/07/440088607.db2.gz CRHHWLHLNBQZOK-QLFBSQMISA-N 1 3 333.498 0.451 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000642893322 440049674 /nfs/dbraw/zinc/04/96/74/440049674.db2.gz CLUYJOBYTFLSSP-DLBZAZTESA-N 1 3 344.459 0.588 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000642898392 440052845 /nfs/dbraw/zinc/05/28/45/440052845.db2.gz VRQUOTFSUWYYIE-DLBZAZTESA-N 1 3 344.459 0.573 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)[C@@H]1CCN(CC)C1 ZINC000658826352 440140292 /nfs/dbraw/zinc/14/02/92/440140292.db2.gz PFEUTZPQQOLYJR-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)[C@@H]1CCN(CC)C1 ZINC000658826352 440140300 /nfs/dbraw/zinc/14/03/00/440140300.db2.gz PFEUTZPQQOLYJR-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000627353663 440143673 /nfs/dbraw/zinc/14/36/73/440143673.db2.gz IHAJWZGFBUPVEK-UHFFFAOYSA-N 1 3 332.448 0.009 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000627310095 440114120 /nfs/dbraw/zinc/11/41/20/440114120.db2.gz IHXTZTCCLVYRSK-UHFFFAOYSA-N 1 3 334.464 0.952 20 0 ECADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000659040848 440210419 /nfs/dbraw/zinc/21/04/19/440210419.db2.gz NUTRPUUSALLIRA-GVDBMIGSSA-N 1 3 346.431 0.630 20 0 ECADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659040848 440210424 /nfs/dbraw/zinc/21/04/24/440210424.db2.gz NUTRPUUSALLIRA-GVDBMIGSSA-N 1 3 346.431 0.630 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000643571167 440212774 /nfs/dbraw/zinc/21/27/74/440212774.db2.gz AVEWTERBXDGRBG-XIRDDKMYSA-N 1 3 348.491 0.802 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000643571167 440212779 /nfs/dbraw/zinc/21/27/79/440212779.db2.gz AVEWTERBXDGRBG-XIRDDKMYSA-N 1 3 348.491 0.802 20 0 ECADHO CO[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@](C)(CO)C1 ZINC000637265497 440219123 /nfs/dbraw/zinc/21/91/23/440219123.db2.gz QWTKKKLNYNJAAE-ZOBUZTSGSA-N 1 3 344.500 0.440 20 0 ECADHO CO[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@](C)(CO)C1 ZINC000637265497 440219128 /nfs/dbraw/zinc/21/91/28/440219128.db2.gz QWTKKKLNYNJAAE-ZOBUZTSGSA-N 1 3 344.500 0.440 20 0 ECADHO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659070153 440225145 /nfs/dbraw/zinc/22/51/45/440225145.db2.gz SXYMHYBYTRBBRH-OAHLLOKOSA-N 1 3 334.420 0.354 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664075802 440230689 /nfs/dbraw/zinc/23/06/89/440230689.db2.gz BCWNOWVPIOFCFV-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664075802 440230693 /nfs/dbraw/zinc/23/06/93/440230693.db2.gz BCWNOWVPIOFCFV-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000659022241 440207873 /nfs/dbraw/zinc/20/78/73/440207873.db2.gz PWILXFHHDWGTBQ-CYBMUJFWSA-N 1 3 333.440 0.492 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000659022241 440207883 /nfs/dbraw/zinc/20/78/83/440207883.db2.gz PWILXFHHDWGTBQ-CYBMUJFWSA-N 1 3 333.440 0.492 20 0 ECADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000647995087 440208397 /nfs/dbraw/zinc/20/83/97/440208397.db2.gz VYHJOUXBCXKGSP-OWYFMNJBSA-N 1 3 326.485 0.669 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627444116 440208425 /nfs/dbraw/zinc/20/84/25/440208425.db2.gz APYNLDDJAAEFTC-AWEZNQCLSA-N 1 3 336.480 0.720 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cccc(CN)c1 ZINC000659093923 440240220 /nfs/dbraw/zinc/24/02/20/440240220.db2.gz DSWIFHZHWXBUCC-UHFFFAOYSA-N 1 3 335.452 0.084 20 0 ECADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000648177522 440254636 /nfs/dbraw/zinc/25/46/36/440254636.db2.gz FTVFPVMAAMIMRL-MGPQQGTHSA-N 1 3 331.407 0.976 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@@H]1O ZINC000664210210 440260782 /nfs/dbraw/zinc/26/07/82/440260782.db2.gz KVOBUZFNYKTUPF-IRXDYDNUSA-N 1 3 346.475 0.402 20 0 ECADHO Cc1cccc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000659318772 440298895 /nfs/dbraw/zinc/29/88/95/440298895.db2.gz ZOBYVRZMPHLZBW-UHFFFAOYSA-N 1 3 348.491 0.905 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C1 ZINC000637801457 440336933 /nfs/dbraw/zinc/33/69/33/440336933.db2.gz KODZVCZJYVXFTA-CYBMUJFWSA-N 1 3 331.420 0.737 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)NCC1=CC[NH2+]CC1 ZINC000659531862 440355188 /nfs/dbraw/zinc/35/51/88/440355188.db2.gz DWZMRYVXKGCPMP-GOSISDBHSA-N 1 3 344.459 0.972 20 0 ECADHO COC1(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCOCC1 ZINC000664505986 440323577 /nfs/dbraw/zinc/32/35/77/440323577.db2.gz UQYMVOQAKCNBTG-HNNXBMFYSA-N 1 3 344.500 0.753 20 0 ECADHO COC1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCOCC1 ZINC000664505986 440323584 /nfs/dbraw/zinc/32/35/84/440323584.db2.gz UQYMVOQAKCNBTG-HNNXBMFYSA-N 1 3 344.500 0.753 20 0 ECADHO CN(CCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)Cc1ccccc1 ZINC000659681662 440417750 /nfs/dbraw/zinc/41/77/50/440417750.db2.gz LTGAIDMIKBWETD-UHFFFAOYSA-N 1 3 344.459 0.493 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000659686986 440421742 /nfs/dbraw/zinc/42/17/42/440421742.db2.gz BEUSBFRDWRDOHZ-RDJZCZTQSA-N 1 3 348.491 0.983 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000638077433 440425527 /nfs/dbraw/zinc/42/55/27/440425527.db2.gz SLDHGXZHQDBVJJ-AIANPOQGSA-N 1 3 327.469 0.759 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)[C@@]2(C[NH3+])CCCOC2)C[C@H](C)O1 ZINC000638075142 440425786 /nfs/dbraw/zinc/42/57/86/440425786.db2.gz CFOSLDPGZQIERO-HLLBOEOZSA-N 1 3 327.469 0.748 20 0 ECADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632503 440387690 /nfs/dbraw/zinc/38/76/90/440387690.db2.gz ZFRVPXHRLAYEOM-CYBMUJFWSA-N 1 3 336.440 0.657 20 0 ECADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632503 440387694 /nfs/dbraw/zinc/38/76/94/440387694.db2.gz ZFRVPXHRLAYEOM-CYBMUJFWSA-N 1 3 336.440 0.657 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH2+]C)c1ccccc1 ZINC000659674075 440410653 /nfs/dbraw/zinc/41/06/53/440410653.db2.gz KLBTYQUHFKKKDR-ZBFHGGJFSA-N 1 3 334.464 0.910 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659736314 440473746 /nfs/dbraw/zinc/47/37/46/440473746.db2.gz MQBDKGOODKLZJG-BEFAXECRSA-N 1 3 348.491 0.722 20 0 ECADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659714856 440448894 /nfs/dbraw/zinc/44/88/94/440448894.db2.gz YNPNZWRUGBBKLQ-LSDHHAIUSA-N 1 3 336.480 0.625 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000659713942 440449714 /nfs/dbraw/zinc/44/97/14/440449714.db2.gz RRGACDKGWXXYHP-LSDHHAIUSA-N 1 3 332.448 0.792 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000659713942 440449723 /nfs/dbraw/zinc/44/97/23/440449723.db2.gz RRGACDKGWXXYHP-LSDHHAIUSA-N 1 3 332.448 0.792 20 0 ECADHO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@@H]1CN1CCCC1 ZINC000649309550 440454641 /nfs/dbraw/zinc/45/46/41/440454641.db2.gz WKGGNMYFXGXLDI-HUUCEWRRSA-N 1 3 332.452 0.731 20 0 ECADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000649310831 440454978 /nfs/dbraw/zinc/45/49/78/440454978.db2.gz FUCGLJGUDAGNDU-YALNPMBYSA-N 1 3 339.480 0.711 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]2(COC)CCCC[NH2+]2)CC1 ZINC000638136544 440456812 /nfs/dbraw/zinc/45/68/12/440456812.db2.gz IKKRYOGNNLYDFC-RDJZCZTQSA-N 1 3 326.485 0.287 20 0 ECADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659722225 440458163 /nfs/dbraw/zinc/45/81/63/440458163.db2.gz KNWGRABVABPEAF-HNNXBMFYSA-N 1 3 334.464 0.546 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000633139024 440458552 /nfs/dbraw/zinc/45/85/52/440458552.db2.gz GEAOAMZLGDDAQE-OIISXLGYSA-N 1 3 344.459 0.667 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000633148374 440458647 /nfs/dbraw/zinc/45/86/47/440458647.db2.gz UZULBKGXDADVNC-UONOGXRCSA-N 1 3 336.436 0.508 20 0 ECADHO COC[C@]1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCCN1 ZINC000638139882 440459339 /nfs/dbraw/zinc/45/93/39/440459339.db2.gz PPVBOHXHUOSYFK-WMZOPIPTSA-N 1 3 338.496 0.384 20 0 ECADHO COC[C@]1(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCCN1 ZINC000638139882 440459343 /nfs/dbraw/zinc/45/93/43/440459343.db2.gz PPVBOHXHUOSYFK-WMZOPIPTSA-N 1 3 338.496 0.384 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638137838 440460431 /nfs/dbraw/zinc/46/04/31/440460431.db2.gz PAUPRYJIRWQZJR-RDJZCZTQSA-N 1 3 326.485 0.132 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000655131792 440486778 /nfs/dbraw/zinc/48/67/78/440486778.db2.gz OPUFVDWBVLWTEF-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000655131792 440486784 /nfs/dbraw/zinc/48/67/84/440486784.db2.gz OPUFVDWBVLWTEF-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO COC[C@]1(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCCCN1 ZINC000638262426 440488430 /nfs/dbraw/zinc/48/84/30/440488430.db2.gz OEVUEYBELJNLGA-YOEHRIQHSA-N 1 3 325.453 0.359 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649537374 440509069 /nfs/dbraw/zinc/50/90/69/440509069.db2.gz CWXFRKMPHPRJCO-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO COC[C@]1(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CCCCN1 ZINC000638345212 440516985 /nfs/dbraw/zinc/51/69/85/440516985.db2.gz CRNFHLCQFBRATO-NUJGCVRESA-N 1 3 339.480 0.890 20 0 ECADHO COC[C@]1(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCCCN1 ZINC000638383290 440524775 /nfs/dbraw/zinc/52/47/75/440524775.db2.gz FCDCQNRHQZOKDC-LHHMISFZSA-N 1 3 339.480 0.890 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](n2cncn2)C1 ZINC000665761713 440525213 /nfs/dbraw/zinc/52/52/13/440525213.db2.gz NWVVEQMOSSVNDN-GJZGRUSLSA-N 1 3 337.472 0.507 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](n2cncn2)C1 ZINC000665761713 440525215 /nfs/dbraw/zinc/52/52/15/440525215.db2.gz NWVVEQMOSSVNDN-GJZGRUSLSA-N 1 3 337.472 0.507 20 0 ECADHO CC(C)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000665760745 440526201 /nfs/dbraw/zinc/52/62/01/440526201.db2.gz OKXAMMPAOZDPJL-HNNXBMFYSA-N 1 3 341.500 0.521 20 0 ECADHO CC(C)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000665760745 440526208 /nfs/dbraw/zinc/52/62/08/440526208.db2.gz OKXAMMPAOZDPJL-HNNXBMFYSA-N 1 3 341.500 0.521 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649352018 440481255 /nfs/dbraw/zinc/48/12/55/440481255.db2.gz IAUDVCWLSABUKM-OIISXLGYSA-N 1 3 329.448 0.460 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC3COCCOC3)CC2)CC1 ZINC000655104704 440482571 /nfs/dbraw/zinc/48/25/71/440482571.db2.gz MHZDNKNVHWOXFB-UHFFFAOYSA-N 1 3 339.480 0.714 20 0 ECADHO CN1CCN(CC2CCN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CC2)CC1 ZINC000655468292 440566250 /nfs/dbraw/zinc/56/62/50/440566250.db2.gz ZHLXYDLHJFOKHB-HKUYNNGSSA-N 1 3 334.508 0.862 20 0 ECADHO [NH3+]C1(CC(=O)NC[C@@H]2COCCN2)CCN(Cc2ccccc2)CC1 ZINC000638613278 440580002 /nfs/dbraw/zinc/58/00/02/440580002.db2.gz VTPIRLSDUAYSCR-QGZVFWFLSA-N 1 3 346.475 0.475 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1=O ZINC000665855542 440543839 /nfs/dbraw/zinc/54/38/39/440543839.db2.gz VFQVHVYWHHKVKQ-CYBMUJFWSA-N 1 3 338.496 0.822 20 0 ECADHO Cc1cccc(N2CCN(CCC(=O)NCCOCCC[NH3+])CC2)c1 ZINC000638661507 440598834 /nfs/dbraw/zinc/59/88/34/440598834.db2.gz SLWMLGDGFQDURE-UHFFFAOYSA-N 1 3 348.491 0.989 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655932669 440650992 /nfs/dbraw/zinc/65/09/92/440650992.db2.gz ZFOBREYPLYCORR-NSHDSACASA-N 1 3 339.406 0.591 20 0 ECADHO COC[C@H](C)OC[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000644601493 440654170 /nfs/dbraw/zinc/65/41/70/440654170.db2.gz LRXHNISCQQLYTP-DZOHQFGASA-N 1 3 344.496 0.756 20 0 ECADHO COC[C@H](C)OC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000644601493 440654175 /nfs/dbraw/zinc/65/41/75/440654175.db2.gz LRXHNISCQQLYTP-DZOHQFGASA-N 1 3 344.496 0.756 20 0 ECADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COC2CCOCC2)CCCO1 ZINC000644632249 440659824 /nfs/dbraw/zinc/65/98/24/440659824.db2.gz HMCVWSJHWMUTQK-HZPDHXFCSA-N 1 3 330.469 0.633 20 0 ECADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COC2CCOCC2)CCCO1 ZINC000644632249 440659829 /nfs/dbraw/zinc/65/98/29/440659829.db2.gz HMCVWSJHWMUTQK-HZPDHXFCSA-N 1 3 330.469 0.633 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)CC1=O ZINC000639024893 440666100 /nfs/dbraw/zinc/66/61/00/440666100.db2.gz QWBUCWARHPWXRQ-GOEBONIOSA-N 1 3 344.459 0.561 20 0 ECADHO COc1cnccc1N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655928564 440645436 /nfs/dbraw/zinc/64/54/36/440645436.db2.gz OSYLDHFNRSFQHD-LBPRGKRZSA-N 1 3 347.341 0.811 20 0 ECADHO C[C@H](Cc1cnccn1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000639262474 440699214 /nfs/dbraw/zinc/69/92/14/440699214.db2.gz YAMMDGIOCXCEJA-MRXNPFEDSA-N 1 3 333.480 0.794 20 0 ECADHO C[C@@H](Cc1cnccn1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000639262472 440700384 /nfs/dbraw/zinc/70/03/84/440700384.db2.gz YAMMDGIOCXCEJA-INIZCTEOSA-N 1 3 333.480 0.794 20 0 ECADHO CC1[C@H](C(=O)NC[C@@H]2CCCN2C)[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000629451064 440706873 /nfs/dbraw/zinc/70/68/73/440706873.db2.gz HBIJCIVGAMPIQP-VGWMRTNUSA-N 1 3 336.480 0.289 20 0 ECADHO CC1[C@H](C(=O)NC[C@@H]2CCCN2C)[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000629451064 440706875 /nfs/dbraw/zinc/70/68/75/440706875.db2.gz HBIJCIVGAMPIQP-VGWMRTNUSA-N 1 3 336.480 0.289 20 0 ECADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656300302 440756284 /nfs/dbraw/zinc/75/62/84/440756284.db2.gz NVNKXHNHPPNPMX-YYIAUSFCSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656300302 440756288 /nfs/dbraw/zinc/75/62/88/440756288.db2.gz NVNKXHNHPPNPMX-YYIAUSFCSA-N 1 3 348.491 0.863 20 0 ECADHO NC(=O)c1cn(C2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)nn1 ZINC000629558130 440727399 /nfs/dbraw/zinc/72/73/99/440727399.db2.gz BCVLJZQHQMYPIJ-UHFFFAOYSA-N 1 3 340.431 0.860 20 0 ECADHO O[C@@H](C[NH2+][C@H](Cc1ccccc1)CN1CCOCC1)CN1CCCC1 ZINC000629560590 440727716 /nfs/dbraw/zinc/72/77/16/440727716.db2.gz FXIDABIBUNKSMI-UXHICEINSA-N 1 3 347.503 0.976 20 0 ECADHO CNS(=O)(=O)CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635004092 440731847 /nfs/dbraw/zinc/73/18/47/440731847.db2.gz CKUKFAWFPPRBHI-GDBMZVCRSA-N 1 3 339.461 0.771 20 0 ECADHO C[NH2+]CCOCCN(C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000629569820 440733315 /nfs/dbraw/zinc/73/33/15/440733315.db2.gz FVSYJLGFMXSTMF-UHFFFAOYSA-N 1 3 349.479 0.288 20 0 ECADHO OCCOC1(CNC[C@@H](O)C[NH+]2CCCC2)CCC(F)(F)CC1 ZINC000629590763 440741597 /nfs/dbraw/zinc/74/15/97/440741597.db2.gz MGUZWJIMIFUXIH-CQSZACIVSA-N 1 3 336.423 0.990 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656306192 440759224 /nfs/dbraw/zinc/75/92/24/440759224.db2.gz IZOVPABMSQFSNY-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656306192 440759230 /nfs/dbraw/zinc/75/92/30/440759230.db2.gz IZOVPABMSQFSNY-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629790257 440761220 /nfs/dbraw/zinc/76/12/20/440761220.db2.gz CMCDLLDCZXQIFO-OLMNPRSZSA-N 1 3 336.480 0.245 20 0 ECADHO CCN(CCN)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629795359 440764835 /nfs/dbraw/zinc/76/48/35/440764835.db2.gz CASAOFZZFPJCLS-KRWDZBQOSA-N 1 3 346.475 0.774 20 0 ECADHO CCN(CCN)C(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629795359 440764839 /nfs/dbraw/zinc/76/48/39/440764839.db2.gz CASAOFZZFPJCLS-KRWDZBQOSA-N 1 3 346.475 0.774 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000629795748 440765258 /nfs/dbraw/zinc/76/52/58/440765258.db2.gz MILSLWYGAZDBHE-UHFFFAOYSA-N 1 3 346.475 0.917 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656333418 440773262 /nfs/dbraw/zinc/77/32/62/440773262.db2.gz IABJRVFLRNDBEU-SIXLDLHFSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656333418 440773264 /nfs/dbraw/zinc/77/32/64/440773264.db2.gz IABJRVFLRNDBEU-SIXLDLHFSA-N 1 3 348.491 0.718 20 0 ECADHO O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H]1C[NH2+]CCO1 ZINC000656612206 440827178 /nfs/dbraw/zinc/82/71/78/440827178.db2.gz RXVAPPQZVMFFPD-CRAIPNDOSA-N 1 3 344.415 0.171 20 0 ECADHO CO[C@@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630375435 440893668 /nfs/dbraw/zinc/89/36/68/440893668.db2.gz OORPCKFXIOGTOT-JZXOWHBKSA-N 1 3 334.464 0.410 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000645958611 440957823 /nfs/dbraw/zinc/95/78/23/440957823.db2.gz PMPYHOKYKQSFRE-HOCLYGCPSA-N 1 3 338.496 0.953 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000635711283 440959352 /nfs/dbraw/zinc/95/93/52/440959352.db2.gz JCELWWXSCQYGCT-IRXDYDNUSA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000635711283 440959361 /nfs/dbraw/zinc/95/93/61/440959361.db2.gz JCELWWXSCQYGCT-IRXDYDNUSA-N 1 3 341.496 0.914 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NCC3(C)CC[NH2+]CC3)CC2)C1 ZINC000640475774 440932734 /nfs/dbraw/zinc/93/27/34/440932734.db2.gz GWGQNMZGRYOAAN-INIZCTEOSA-N 1 3 337.512 0.798 20 0 ECADHO O=C(NCC(F)(F)F)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662251938 440993540 /nfs/dbraw/zinc/99/35/40/440993540.db2.gz IYXSAVSLZMAXTE-LBPRGKRZSA-N 1 3 335.370 0.898 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000662315394 441010967 /nfs/dbraw/zinc/01/09/67/441010967.db2.gz NWSIXNMFMVRWEW-PMACEKPBSA-N 1 3 347.503 0.962 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000662315394 441010976 /nfs/dbraw/zinc/01/09/76/441010976.db2.gz NWSIXNMFMVRWEW-PMACEKPBSA-N 1 3 347.503 0.962 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN(CCN1CCOCC1)CC1CC1 ZINC000662315394 441010982 /nfs/dbraw/zinc/01/09/82/441010982.db2.gz NWSIXNMFMVRWEW-PMACEKPBSA-N 1 3 347.503 0.962 20 0 ECADHO O=C(Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)NC1CCN(C2CC2)CC1 ZINC000641002440 441042984 /nfs/dbraw/zinc/04/29/84/441042984.db2.gz DSFBXTSXIXGISC-ZDUSSCGKSA-N 1 3 332.452 0.173 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1=O ZINC000652361851 441060966 /nfs/dbraw/zinc/06/09/66/441060966.db2.gz REHOSLCTKSLWKT-MCIONIFRSA-N 1 3 338.452 0.678 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)nnn2C ZINC000646471916 441066863 /nfs/dbraw/zinc/06/68/63/441066863.db2.gz VRVHXSMRDGRRFD-UHFFFAOYSA-N 1 3 333.440 0.925 20 0 ECADHO COCCN(C)C[C@@H](O)Cn1cc(C[C@@H]([NH3+])c2ccccc2)nn1 ZINC000641223603 441078885 /nfs/dbraw/zinc/07/88/85/441078885.db2.gz PEEWPRWFAQXJRT-IAGOWNOFSA-N 1 3 333.436 0.460 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000641279242 441086576 /nfs/dbraw/zinc/08/65/76/441086576.db2.gz ULWSJGOSDOSKMS-IRXDYDNUSA-N 1 3 337.512 0.925 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000339667065 320994873 /nfs/dbraw/zinc/99/48/73/320994873.db2.gz FMMHJQOTTMVLNO-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](CO)C3)CC2)CC1 ZINC000339992115 321008826 /nfs/dbraw/zinc/00/88/26/321008826.db2.gz BTCXYATXPRONEI-HNNXBMFYSA-N 1 3 338.496 0.959 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000340201922 321020353 /nfs/dbraw/zinc/02/03/53/321020353.db2.gz ADISIPZCEIXJPY-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC(C)CC1)C1=CC[N@H+](C)CC1 ZINC000340208659 321021953 /nfs/dbraw/zinc/02/19/53/321021953.db2.gz DZQDKRNEXJLZAR-HNNXBMFYSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000340208659 321021954 /nfs/dbraw/zinc/02/19/54/321021954.db2.gz DZQDKRNEXJLZAR-HNNXBMFYSA-N 1 3 336.480 0.601 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340213621 321023010 /nfs/dbraw/zinc/02/30/10/321023010.db2.gz CBTTYEQOOMZBHX-HUUCEWRRSA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340213621 321023011 /nfs/dbraw/zinc/02/30/11/321023011.db2.gz CBTTYEQOOMZBHX-HUUCEWRRSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000340219098 321024324 /nfs/dbraw/zinc/02/43/24/321024324.db2.gz GYCWKAGGOFIGIY-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000340219098 321024325 /nfs/dbraw/zinc/02/43/25/321024325.db2.gz GYCWKAGGOFIGIY-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000342062637 321074634 /nfs/dbraw/zinc/07/46/34/321074634.db2.gz MQZFXBZNVFEHAO-CQSZACIVSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000343157454 321125394 /nfs/dbraw/zinc/12/53/94/321125394.db2.gz ZPPJUVFQSJVGSK-FZKCQIBNSA-N 1 3 340.512 0.925 20 0 ECADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343218571 321128848 /nfs/dbraw/zinc/12/88/48/321128848.db2.gz SWYFFNDBEGHWDW-ROUUACIJSA-N 1 3 330.476 0.665 20 0 ECADHO CC[NH+](CC)CCSCC(=O)N1CCN(CCN(C)C)CC1 ZINC000344405056 321150125 /nfs/dbraw/zinc/15/01/25/321150125.db2.gz MRKPTUQGEWMVKA-UHFFFAOYSA-N 1 3 330.542 0.767 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)[C@H](C)C1 ZINC000347960963 321259690 /nfs/dbraw/zinc/25/96/90/321259690.db2.gz CLSJFOWJYKAUIE-FPCVCCKLSA-N 1 3 338.496 0.774 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)[C@H](C)C1 ZINC000347960963 321259692 /nfs/dbraw/zinc/25/96/92/321259692.db2.gz CLSJFOWJYKAUIE-FPCVCCKLSA-N 1 3 338.496 0.774 20 0 ECADHO [NH3+]C[C@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CCO1 ZINC000521587365 321977364 /nfs/dbraw/zinc/97/73/64/321977364.db2.gz OFDLYFPFRBGOIA-AWEZNQCLSA-N 1 3 342.509 0.717 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528416153 322024722 /nfs/dbraw/zinc/02/47/22/322024722.db2.gz URBINBYCSABZLO-HNNXBMFYSA-N 1 3 327.469 0.042 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)CN1CCN(C)CC1 ZINC000532317655 322053262 /nfs/dbraw/zinc/05/32/62/322053262.db2.gz ZRDVABOBYQMJPI-BFYDXBDKSA-N 1 3 337.512 0.652 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)CN1CCN(C)CC1 ZINC000532317655 322053265 /nfs/dbraw/zinc/05/32/65/322053265.db2.gz ZRDVABOBYQMJPI-BFYDXBDKSA-N 1 3 337.512 0.652 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000559454621 322220150 /nfs/dbraw/zinc/22/01/50/322220150.db2.gz BQGJSQDZZMMRSD-UHFFFAOYSA-N 1 3 334.464 0.775 20 0 ECADHO CN1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000562793804 322284597 /nfs/dbraw/zinc/28/45/97/322284597.db2.gz FAHOOYWKRXXFHO-QZTJIDSGSA-N 1 3 345.491 0.935 20 0 ECADHO COCCN(CCN(C)C)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000563160800 322302406 /nfs/dbraw/zinc/30/24/06/322302406.db2.gz ORUWNXQYTYEXJR-UHFFFAOYSA-N 1 3 338.456 0.161 20 0 ECADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000563549504 322327420 /nfs/dbraw/zinc/32/74/20/322327420.db2.gz YVKDVZSRCIJYMH-MRXNPFEDSA-N 1 3 346.475 0.615 20 0 ECADHO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000564824853 322396292 /nfs/dbraw/zinc/39/62/92/322396292.db2.gz BKZPHIANDFMXHX-QAPCUYQASA-N 1 3 334.464 0.285 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCCS1 ZINC000566060689 322496018 /nfs/dbraw/zinc/49/60/18/322496018.db2.gz JHLUPIXHQXWWKP-CQSZACIVSA-N 1 3 344.525 0.340 20 0 ECADHO O=C(C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000567644296 322590903 /nfs/dbraw/zinc/59/09/03/322590903.db2.gz GBHBXTGPMFGGNU-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)N1CCC(C)CC1 ZINC000568893311 322636824 /nfs/dbraw/zinc/63/68/24/322636824.db2.gz FMBWZJGZEXVHMJ-OAHLLOKOSA-N 1 3 338.496 0.810 20 0 ECADHO CN1CCN(C[C@@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000568990372 322639837 /nfs/dbraw/zinc/63/98/37/322639837.db2.gz BRWHXDCDNORMSU-IBGZPJMESA-N 1 3 347.507 0.496 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(CCN(C)C)CC2)C[C@@H](C)O1 ZINC000569095874 322642783 /nfs/dbraw/zinc/64/27/83/322642783.db2.gz MTOQDHLOMUHMBW-JFIYKMOQSA-N 1 3 342.528 0.072 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCN(CCN(C)C)CC2)C[C@@H](C)O1 ZINC000569095877 322642794 /nfs/dbraw/zinc/64/27/94/322642794.db2.gz MTOQDHLOMUHMBW-NUJGCVRESA-N 1 3 342.528 0.072 20 0 ECADHO [NH3+][C@H](CCC(=O)Nc1nc(N2CCNCC2)n[nH]1)c1ccccc1 ZINC000569573522 322657855 /nfs/dbraw/zinc/65/78/55/322657855.db2.gz VQKMHXBBANULAL-CYBMUJFWSA-N 1 3 329.408 0.633 20 0 ECADHO Cc1c(C(=O)N2CC[C@H](N3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000571795233 322733782 /nfs/dbraw/zinc/73/37/82/322733782.db2.gz ZXKWEVSUFQMXEJ-HNNXBMFYSA-N 1 3 332.452 0.821 20 0 ECADHO C[NH+](C)CC1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCC1 ZINC000573340080 322760455 /nfs/dbraw/zinc/76/04/55/322760455.db2.gz HGDATZYJJQWIDH-ZIAGYGMSSA-N 1 3 337.468 0.062 20 0 ECADHO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)C(=O)NCCN1CCCCC1 ZINC000573486117 322762666 /nfs/dbraw/zinc/76/26/66/322762666.db2.gz XQPTXFAZXXWWHM-HZPDHXFCSA-N 1 3 338.496 0.873 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000576135082 322802332 /nfs/dbraw/zinc/80/23/32/322802332.db2.gz DAWTWFQZYUIFMX-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415655035 546207488 /nfs/dbraw/zinc/20/74/88/546207488.db2.gz SLPQFMIHICXFIG-HIFRSBDPSA-N 1 3 348.447 0.952 20 0 ECADHO C[NH2+]CCN(C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417365948 546210278 /nfs/dbraw/zinc/21/02/78/546210278.db2.gz KDQYHDIWYDQYLE-UHFFFAOYSA-N 1 3 334.468 0.455 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000431057833 546223329 /nfs/dbraw/zinc/22/33/29/546223329.db2.gz PMFSVENRIHXVEV-CVEARBPZSA-N 1 3 332.448 0.722 20 0 ECADHO CO[C@H]1C[C@@H](CN(C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)[N@H+](C)C1 ZINC000497514641 546255679 /nfs/dbraw/zinc/25/56/79/546255679.db2.gz FTOCNWUQYJDNMB-WOYTXXSLSA-N 1 3 329.485 0.107 20 0 ECADHO CO[C@H]1C[C@@H](CN(C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)[N@@H+](C)C1 ZINC000497514641 546255683 /nfs/dbraw/zinc/25/56/83/546255683.db2.gz FTOCNWUQYJDNMB-WOYTXXSLSA-N 1 3 329.485 0.107 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)n1 ZINC000620980319 546470017 /nfs/dbraw/zinc/47/00/17/546470017.db2.gz SJGRJBZGIXKKCX-OAHLLOKOSA-N 1 3 337.468 0.628 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621643399 546533337 /nfs/dbraw/zinc/53/33/37/546533337.db2.gz FQSDXVQFQKAJAI-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)N1CCCCC1 ZINC000621837851 546570802 /nfs/dbraw/zinc/57/08/02/546570802.db2.gz RQQJXDLRQRPLPA-RDTXWAMCSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)N1CCC(C)CC1 ZINC000621841067 546572587 /nfs/dbraw/zinc/57/25/87/546572587.db2.gz PQXWGDUIANOSST-RKVPGOIHSA-N 1 3 336.480 0.563 20 0 ECADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624188618 546887883 /nfs/dbraw/zinc/88/78/83/546887883.db2.gz ZIYJHHJDKKIHIP-CYBMUJFWSA-N 1 3 327.436 0.831 20 0 ECADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624188618 546887888 /nfs/dbraw/zinc/88/78/88/546887888.db2.gz ZIYJHHJDKKIHIP-CYBMUJFWSA-N 1 3 327.436 0.831 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000624403876 546917138 /nfs/dbraw/zinc/91/71/38/546917138.db2.gz APFUNPIWIJRLJI-BXUZGUMPSA-N 1 3 343.497 0.480 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624403878 546917364 /nfs/dbraw/zinc/91/73/64/546917364.db2.gz APFUNPIWIJRLJI-RISCZKNCSA-N 1 3 343.497 0.480 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625245935 547050597 /nfs/dbraw/zinc/05/05/97/547050597.db2.gz MLWHXWFERMJBBA-UHFFFAOYSA-N 1 3 327.469 0.572 20 0 ECADHO CN(C)C[C@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000634645470 547382909 /nfs/dbraw/zinc/38/29/09/547382909.db2.gz NRYCVJADDMMLHH-OALUTQOASA-N 1 3 333.476 0.886 20 0 ECADHO CN(C)C[C@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000634645470 547382912 /nfs/dbraw/zinc/38/29/12/547382912.db2.gz NRYCVJADDMMLHH-OALUTQOASA-N 1 3 333.476 0.886 20 0 ECADHO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cnc2c(c1)CNCC2 ZINC000667800474 547558578 /nfs/dbraw/zinc/55/85/78/547558578.db2.gz GNPSSFPKJFPOHQ-OAHLLOKOSA-N 1 3 333.436 0.696 20 0 ECADHO O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1cnc2c(c1)CNCC2 ZINC000667800474 547558584 /nfs/dbraw/zinc/55/85/84/547558584.db2.gz GNPSSFPKJFPOHQ-OAHLLOKOSA-N 1 3 333.436 0.696 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000667821333 547560686 /nfs/dbraw/zinc/56/06/86/547560686.db2.gz XCMMOFBSAPLSGB-AWEZNQCLSA-N 1 3 347.467 0.882 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000668499014 547670944 /nfs/dbraw/zinc/67/09/44/547670944.db2.gz ZUNVJSKEOMDBBP-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000668499014 547670946 /nfs/dbraw/zinc/67/09/46/547670946.db2.gz ZUNVJSKEOMDBBP-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000669122157 547833658 /nfs/dbraw/zinc/83/36/58/547833658.db2.gz LRIGLEFCPPONEL-QQFBHYJXSA-N 1 3 336.480 0.720 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000670436317 548010472 /nfs/dbraw/zinc/01/04/72/548010472.db2.gz ZRZBCYHVXILWOV-JJXSEGSLSA-N 1 3 336.480 0.671 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670708612 548039316 /nfs/dbraw/zinc/03/93/16/548039316.db2.gz GCSGEIZPZJEKIX-MRXNPFEDSA-N 1 3 336.480 0.579 20 0 ECADHO COCCN(C)CCCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000671134720 548098631 /nfs/dbraw/zinc/09/86/31/548098631.db2.gz TYSIKBQWKJHWPZ-HNNXBMFYSA-N 1 3 342.484 0.060 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672010379 548254266 /nfs/dbraw/zinc/25/42/66/548254266.db2.gz VNWRNVPAWQNINB-OAHLLOKOSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000672012914 548255762 /nfs/dbraw/zinc/25/57/62/548255762.db2.gz DHPQDSITNBCVDU-YCPHGPKFSA-N 1 3 338.496 0.678 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672203753 548281563 /nfs/dbraw/zinc/28/15/63/548281563.db2.gz BJHYWHVEYDSBJG-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672203753 548281564 /nfs/dbraw/zinc/28/15/64/548281564.db2.gz BJHYWHVEYDSBJG-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC23CCN(C)CC3)CC[N@@H+]1C ZINC000672593379 548357640 /nfs/dbraw/zinc/35/76/40/548357640.db2.gz STCZMYUEEKYEBQ-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC23CCN(C)CC3)CC[N@H+]1C ZINC000672593379 548357644 /nfs/dbraw/zinc/35/76/44/548357644.db2.gz STCZMYUEEKYEBQ-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000672699952 548375444 /nfs/dbraw/zinc/37/54/44/548375444.db2.gz RHNOJZDWBNTQAI-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO c1ncn([C@H]2CCN(CCCC[N@@H+]3CC[C@H](n4cncn4)C3)C2)n1 ZINC000681604748 549279457 /nfs/dbraw/zinc/27/94/57/549279457.db2.gz HUVKJLZJJIYYLO-HOTGVXAUSA-N 1 3 330.440 0.844 20 0 ECADHO c1ncn([C@H]2CCN(CCCC[N@H+]3CC[C@H](n4cncn4)C3)C2)n1 ZINC000681604748 549279459 /nfs/dbraw/zinc/27/94/59/549279459.db2.gz HUVKJLZJJIYYLO-HOTGVXAUSA-N 1 3 330.440 0.844 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000685277684 549673760 /nfs/dbraw/zinc/67/37/60/549673760.db2.gz FGIMQWMYQUPTOE-GJZGRUSLSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000685277684 549673763 /nfs/dbraw/zinc/67/37/63/549673763.db2.gz FGIMQWMYQUPTOE-GJZGRUSLSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=S)NCCN(C)C)CC1 ZINC000748598600 579326970 /nfs/dbraw/zinc/32/69/70/579326970.db2.gz OVMYKTMKRUABDT-HOTGVXAUSA-N 1 3 341.569 0.913 20 0 ECADHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000791139016 578886878 /nfs/dbraw/zinc/88/68/78/578886878.db2.gz WHHMAQQZZAPJIF-HZPDHXFCSA-N 1 3 331.526 0.959 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000793708005 578936561 /nfs/dbraw/zinc/93/65/61/578936561.db2.gz HQBDXUFVTRRCCM-KFWWJZLASA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000793716665 578937349 /nfs/dbraw/zinc/93/73/49/578937349.db2.gz KQAISTXZTAQOLQ-LSDHHAIUSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000793716665 578937350 /nfs/dbraw/zinc/93/73/50/578937350.db2.gz KQAISTXZTAQOLQ-LSDHHAIUSA-N 1 3 336.480 0.744 20 0 ECADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CN2CCN1CCC2 ZINC000764271899 579574307 /nfs/dbraw/zinc/57/43/07/579574307.db2.gz WNEUNYMENKEYBE-DLBZAZTESA-N 1 3 336.480 0.136 20 0 ECADHO CN(C)CCNC(=O)C1CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000743595740 579799702 /nfs/dbraw/zinc/79/97/02/579799702.db2.gz PNBNJYXAFIOFIS-UHFFFAOYSA-N 1 3 343.541 0.202 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000104533140 589003458 /nfs/dbraw/zinc/00/34/58/589003458.db2.gz SMGXQRUPPGCWBB-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841791321 589001181 /nfs/dbraw/zinc/00/11/81/589001181.db2.gz UHBUDFULOVCLFC-IRXDYDNUSA-N 1 3 330.432 0.952 20 0 ECADHO NCc1cccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000841850877 589002796 /nfs/dbraw/zinc/00/27/96/589002796.db2.gz IDTSUMCEAZHCTO-ZDUSSCGKSA-N 1 3 330.354 0.711 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC000841934308 589006322 /nfs/dbraw/zinc/00/63/22/589006322.db2.gz XHIIRZKKLFNODL-KRWDZBQOSA-N 1 3 334.464 0.834 20 0 ECADHO CC(C)([NH3+])CNC(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000842187924 589019031 /nfs/dbraw/zinc/01/90/31/589019031.db2.gz CDHAVBKAICVUKN-IBGZPJMESA-N 1 3 346.475 0.868 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842232544 589023337 /nfs/dbraw/zinc/02/33/37/589023337.db2.gz YEYPXPMXAUTGTQ-INIZCTEOSA-N 1 3 332.448 0.405 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000842253477 589024723 /nfs/dbraw/zinc/02/47/23/589024723.db2.gz MIHNRWUFVCQJGG-OAHLLOKOSA-N 1 3 334.464 0.473 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891514445 586173172 /nfs/dbraw/zinc/17/31/72/586173172.db2.gz RRJQSPLOOXYRGQ-JHJVBQTASA-N 1 3 332.395 0.394 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891514446 586173205 /nfs/dbraw/zinc/17/32/05/586173205.db2.gz RRJQSPLOOXYRGQ-RWMBFGLXSA-N 1 3 332.395 0.394 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000891535697 586174806 /nfs/dbraw/zinc/17/48/06/586174806.db2.gz MPUZAPORUOQRKF-CQSZACIVSA-N 1 3 325.457 0.062 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892305941 586245103 /nfs/dbraw/zinc/24/51/03/586245103.db2.gz OLDJERWRLIVAGB-UONOGXRCSA-N 1 3 337.468 0.252 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)CC2)C1 ZINC000892444793 586266600 /nfs/dbraw/zinc/26/66/00/586266600.db2.gz RUUKGJYCYUXBAK-BRWVUGGUSA-N 1 3 337.512 0.925 20 0 ECADHO CO[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCS(=O)(=O)C1 ZINC000896682583 586266884 /nfs/dbraw/zinc/26/68/84/586266884.db2.gz MUMUNTQDJYUXSY-MRXNPFEDSA-N 1 3 339.461 0.844 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)cc1 ZINC000892530722 586271710 /nfs/dbraw/zinc/27/17/10/586271710.db2.gz VZZBXSVKSPZVKW-MSOLQXFVSA-N 1 3 345.491 0.854 20 0 ECADHO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000897021958 586281760 /nfs/dbraw/zinc/28/17/60/586281760.db2.gz KLEFOIOJYDWPIU-CABCVRRESA-N 1 3 336.480 0.624 20 0 ECADHO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000897021958 586281763 /nfs/dbraw/zinc/28/17/63/586281763.db2.gz KLEFOIOJYDWPIU-CABCVRRESA-N 1 3 336.480 0.624 20 0 ECADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1Cc2ccccc2CN1 ZINC000892793590 586290739 /nfs/dbraw/zinc/29/07/39/586290739.db2.gz NVNGGPFHOVRDFL-ZWKOTPCHSA-N 1 3 346.475 0.847 20 0 ECADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@@H]1Cc2ccccc2CN1 ZINC000892793590 586290740 /nfs/dbraw/zinc/29/07/40/586290740.db2.gz NVNGGPFHOVRDFL-ZWKOTPCHSA-N 1 3 346.475 0.847 20 0 ECADHO C[NH+]1CCC(O)(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000892805479 586292797 /nfs/dbraw/zinc/29/27/97/586292797.db2.gz UAIOQWNDBRVVCL-INIZCTEOSA-N 1 3 332.448 0.457 20 0 ECADHO C[NH+]1CCC(O)(CNC(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000892805480 586292826 /nfs/dbraw/zinc/29/28/26/586292826.db2.gz UAIOQWNDBRVVCL-MRXNPFEDSA-N 1 3 332.448 0.457 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000892861579 586297045 /nfs/dbraw/zinc/29/70/45/586297045.db2.gz UJXBXOMZXIGTQR-UHFFFAOYSA-N 1 3 327.473 0.309 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893103514 586310874 /nfs/dbraw/zinc/31/08/74/586310874.db2.gz OZFGESALLOBTEC-BRWVUGGUSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893103514 586310877 /nfs/dbraw/zinc/31/08/77/586310877.db2.gz OZFGESALLOBTEC-BRWVUGGUSA-N 1 3 336.480 0.711 20 0 ECADHO C[C@H](CNC(=O)N1CCC12CC[NH+](C)CC2)CN1CCN(C)CC1 ZINC000893238404 586319036 /nfs/dbraw/zinc/31/90/36/586319036.db2.gz SUIYEOCDDUODSB-MRXNPFEDSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000897493720 586333832 /nfs/dbraw/zinc/33/38/32/586333832.db2.gz AVPHVNPIKPIXOO-HOTGVXAUSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000897493720 586333835 /nfs/dbraw/zinc/33/38/35/586333835.db2.gz AVPHVNPIKPIXOO-HOTGVXAUSA-N 1 3 325.501 0.796 20 0 ECADHO Cc1nnc(CNC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000898361026 586417493 /nfs/dbraw/zinc/41/74/93/586417493.db2.gz RXFCKRMRINCVEQ-AWEZNQCLSA-N 1 3 335.456 0.423 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898592563 586435378 /nfs/dbraw/zinc/43/53/78/586435378.db2.gz BIXHCJBPPBOLSN-UHFFFAOYSA-N 1 3 339.528 0.997 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000900588087 586643895 /nfs/dbraw/zinc/64/38/95/586643895.db2.gz MAEHZFFLAXWPOF-GOSISDBHSA-N 1 3 339.480 0.594 20 0 ECADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)CC1 ZINC000903728024 586802407 /nfs/dbraw/zinc/80/24/07/586802407.db2.gz DRXDOHSRCXQQHD-OAHLLOKOSA-N 1 3 338.496 0.761 20 0 ECADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)CC1 ZINC000903728024 586802409 /nfs/dbraw/zinc/80/24/09/586802409.db2.gz DRXDOHSRCXQQHD-OAHLLOKOSA-N 1 3 338.496 0.761 20 0 ECADHO CN(C)[S@@](C)(=O)=NCC1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000903870429 586821284 /nfs/dbraw/zinc/82/12/84/586821284.db2.gz HAXDFBDDMQQPJM-CMJOXMDJSA-N 1 3 344.525 0.794 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(Cn3cncn3)CC2)cnn1C ZINC000903915087 586823567 /nfs/dbraw/zinc/82/35/67/586823567.db2.gz XZPTVSWJRSLLIA-INIZCTEOSA-N 1 3 331.468 0.850 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000903898241 586824357 /nfs/dbraw/zinc/82/43/57/586824357.db2.gz MUAKUBGEFWRUEJ-JKSUJKDBSA-N 1 3 334.468 0.357 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32CN)CC1 ZINC000905010171 586860280 /nfs/dbraw/zinc/86/02/80/586860280.db2.gz UBLDDTJBQXVVQZ-HNAYVOBHSA-N 1 3 348.491 0.803 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)CC2(O)CCCC2)CC1 ZINC000905103403 586870131 /nfs/dbraw/zinc/87/01/31/586870131.db2.gz AEXYYTLRRNPHOC-INIZCTEOSA-N 1 3 341.496 0.575 20 0 ECADHO C[NH+](C)CCOc1cc(CNC[C@H](O)C[C@@]2(O)CCOC2)ccn1 ZINC000905189944 586875955 /nfs/dbraw/zinc/87/59/55/586875955.db2.gz JXNNXTBKFHOUTH-WBVHZDCISA-N 1 3 339.436 0.014 20 0 ECADHO CC[NH+](CC)CCOc1cccc(NC(=O)C(=O)N(C)C2CNC2)c1 ZINC000906685325 586966625 /nfs/dbraw/zinc/96/66/25/586966625.db2.gz QZQIUONCMKIIOS-UHFFFAOYSA-N 1 3 348.447 0.776 20 0 ECADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)n1 ZINC000906735939 586973209 /nfs/dbraw/zinc/97/32/09/586973209.db2.gz RKFNGTQDNXBERC-ZDUSSCGKSA-N 1 3 336.440 0.032 20 0 ECADHO CN1CCN(C)CC(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000906739883 586973537 /nfs/dbraw/zinc/97/35/37/586973537.db2.gz GQMMITZDFJGACK-OAHLLOKOSA-N 1 3 338.496 0.097 20 0 ECADHO CN(C)Cc1ccc(C(N)=O)cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906756114 586976299 /nfs/dbraw/zinc/97/62/99/586976299.db2.gz JDMIWPBZQBCWEE-UHFFFAOYSA-N 1 3 347.463 0.279 20 0 ECADHO CN(C)Cc1ccc(C(N)=O)cc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906756114 586976301 /nfs/dbraw/zinc/97/63/01/586976301.db2.gz JDMIWPBZQBCWEE-UHFFFAOYSA-N 1 3 347.463 0.279 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC(=O)CC1 ZINC000815207106 587284144 /nfs/dbraw/zinc/28/41/44/587284144.db2.gz SQCHMGLPKOGOJX-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC(=O)CC1 ZINC000815207106 587284145 /nfs/dbraw/zinc/28/41/45/587284145.db2.gz SQCHMGLPKOGOJX-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000817957416 587393659 /nfs/dbraw/zinc/39/36/59/587393659.db2.gz MBYVJKGEVXKEFE-QAPCUYQASA-N 1 3 334.464 0.428 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844192055 589101786 /nfs/dbraw/zinc/10/17/86/589101786.db2.gz GCYZYGHQWNMLSD-CVEARBPZSA-N 1 3 326.485 0.145 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C)C[C@@H]1C ZINC000820080667 587507762 /nfs/dbraw/zinc/50/77/62/587507762.db2.gz IBBWILIYARHOKL-KBPBESRZSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C)C[C@@H]1C ZINC000820080667 587507763 /nfs/dbraw/zinc/50/77/63/587507763.db2.gz IBBWILIYARHOKL-KBPBESRZSA-N 1 3 327.473 0.131 20 0 ECADHO CC(C)(O)C[NH+]1CCC(NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000820836824 587559228 /nfs/dbraw/zinc/55/92/28/587559228.db2.gz RSBYZLGBAULFFC-HNNXBMFYSA-N 1 3 328.453 0.733 20 0 ECADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825860590 587966986 /nfs/dbraw/zinc/96/69/86/587966986.db2.gz SKJHNXFNCLENGU-UHFFFAOYSA-N 1 3 348.455 0.540 20 0 ECADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825860590 587966987 /nfs/dbraw/zinc/96/69/87/587966987.db2.gz SKJHNXFNCLENGU-UHFFFAOYSA-N 1 3 348.455 0.540 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCN(CC)C1 ZINC000828283803 588169881 /nfs/dbraw/zinc/16/98/81/588169881.db2.gz KMNJPRQUQFWNEL-JYJNAYRXSA-N 1 3 338.496 0.918 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000846144922 589188707 /nfs/dbraw/zinc/18/87/07/589188707.db2.gz KVRMXNSHPLGODN-CABCVRRESA-N 1 3 336.411 0.947 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000848615641 589304035 /nfs/dbraw/zinc/30/40/35/589304035.db2.gz BZRMRKOKXQFGFA-GPMSIDNRSA-N 1 3 348.491 0.722 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849000574 589318394 /nfs/dbraw/zinc/31/83/94/589318394.db2.gz DLHYRZIMYSTSFL-ZIAGYGMSSA-N 1 3 325.457 0.222 20 0 ECADHO COCCNC(=O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849056229 589318986 /nfs/dbraw/zinc/31/89/86/589318986.db2.gz CIJGLSOPYDXDSD-UHFFFAOYSA-N 1 3 347.463 0.528 20 0 ECADHO CCOCCCNC(=[NH2+])NCC1(N2CCOCC2)CCN(C)CC1 ZINC000849116943 589320729 /nfs/dbraw/zinc/32/07/29/589320729.db2.gz WFCWWDVFDUVIOV-UHFFFAOYSA-N 1 3 341.500 0.324 20 0 ECADHO CN(C)CCNC(=S)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000849268958 589324442 /nfs/dbraw/zinc/32/44/42/589324442.db2.gz JNDRFBZAKGGEOF-UHFFFAOYSA-N 1 3 328.526 0.903 20 0 ECADHO COc1cncc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000850325232 589364175 /nfs/dbraw/zinc/36/41/75/589364175.db2.gz XXBVVXWEERLHMD-UHFFFAOYSA-N 1 3 334.464 0.976 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000851688378 589414803 /nfs/dbraw/zinc/41/48/03/589414803.db2.gz YLQVYRFCBIONFV-INIZCTEOSA-N 1 3 346.475 0.793 20 0 ECADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1NCC12CCOCC2 ZINC000852824438 589515265 /nfs/dbraw/zinc/51/52/65/589515265.db2.gz BNIRGFUGQAUQCT-OAHLLOKOSA-N 1 3 331.420 0.198 20 0 ECADHO O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000852902712 589523962 /nfs/dbraw/zinc/52/39/62/589523962.db2.gz LJYOJTFCOGEYBC-ROUUACIJSA-N 1 3 347.459 0.638 20 0 ECADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000852906380 589524410 /nfs/dbraw/zinc/52/44/10/589524410.db2.gz CIMHKRGCUZANJA-VYDXJSESSA-N 1 3 346.431 0.751 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000852917151 589525797 /nfs/dbraw/zinc/52/57/97/589525797.db2.gz VTGOAXDMBVKEIR-UHFFFAOYSA-N 1 3 344.459 0.656 20 0 ECADHO CN(CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000866714047 589762327 /nfs/dbraw/zinc/76/23/27/589762327.db2.gz DUJOLPCVAWAZKC-ZACQAIPSSA-N 1 3 330.432 0.990 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000861728062 589882443 /nfs/dbraw/zinc/88/24/43/589882443.db2.gz CJFIZNFFIJFQOI-DNVCBOLYSA-N 1 3 346.475 0.963 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000868304470 589890718 /nfs/dbraw/zinc/89/07/18/589890718.db2.gz NVNMLHSJNCKULU-HDJSIYSDSA-N 1 3 348.447 0.727 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(CN(C)C)cc2)C[NH2+]1 ZINC000861805974 589894071 /nfs/dbraw/zinc/89/40/71/589894071.db2.gz RSVDTHNBPSIQFV-RHSMWYFYSA-N 1 3 346.475 0.963 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000868731183 589924103 /nfs/dbraw/zinc/92/41/03/589924103.db2.gz DXYTVVOOTGWYCU-RFQIPJPRSA-N 1 3 340.468 0.460 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(F)C(=O)N[C@H]2CC[N@H+](CCC)C2)C1 ZINC000869285415 589958265 /nfs/dbraw/zinc/95/82/65/589958265.db2.gz PPQIZLMJBRHTEX-KBPBESRZSA-N 1 3 342.459 0.526 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(F)C(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000869285415 589958269 /nfs/dbraw/zinc/95/82/69/589958269.db2.gz PPQIZLMJBRHTEX-KBPBESRZSA-N 1 3 342.459 0.526 20 0 ECADHO CCn1nccc1CCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863547176 590021908 /nfs/dbraw/zinc/02/19/08/590021908.db2.gz JWGVRHBVLBMZNU-CVEARBPZSA-N 1 3 333.436 0.703 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872188238 590100609 /nfs/dbraw/zinc/10/06/09/590100609.db2.gz SDFDOLQGODSCKT-DHSIGJKJSA-N 1 3 336.480 0.243 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872188751 590100811 /nfs/dbraw/zinc/10/08/11/590100811.db2.gz BTJZFGIFONFRMY-KBXCAEBGSA-N 1 3 348.447 0.238 20 0 ECADHO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000872197209 590103460 /nfs/dbraw/zinc/10/34/60/590103460.db2.gz WLCIRBQDAGRNSG-UHFFFAOYSA-N 1 3 348.491 0.803 20 0 ECADHO CC(C)(C)OC(=O)CN1CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000872227887 590106433 /nfs/dbraw/zinc/10/64/33/590106433.db2.gz SENIALAJAYSACP-MRXNPFEDSA-N 1 3 341.496 0.839 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865243836 590135133 /nfs/dbraw/zinc/13/51/33/590135133.db2.gz SUIZOJGYEBUQFK-KBPBESRZSA-N 1 3 328.526 0.780 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865243836 590135135 /nfs/dbraw/zinc/13/51/35/590135135.db2.gz SUIZOJGYEBUQFK-KBPBESRZSA-N 1 3 328.526 0.780 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NCc3cn(C[C@@H]4CCCO4)nn3)C2)CC1 ZINC000865460165 590146621 /nfs/dbraw/zinc/14/66/21/590146621.db2.gz HFDNLGXXBLOZSR-QAPCUYQASA-N 1 3 348.495 0.715 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NCc3cn(C[C@@H]4CCCO4)nn3)C2)CC1 ZINC000865460165 590146622 /nfs/dbraw/zinc/14/66/22/590146622.db2.gz HFDNLGXXBLOZSR-QAPCUYQASA-N 1 3 348.495 0.715 20 0 ECADHO COC(=O)CC[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000873228163 590187128 /nfs/dbraw/zinc/18/71/28/590187128.db2.gz AKNFZHSOWKYETA-LSDHHAIUSA-N 1 3 325.453 0.849 20 0 ECADHO COC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000873228163 590187129 /nfs/dbraw/zinc/18/71/29/590187129.db2.gz AKNFZHSOWKYETA-LSDHHAIUSA-N 1 3 325.453 0.849 20 0 ECADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242616 590187262 /nfs/dbraw/zinc/18/72/62/590187262.db2.gz CFJGEICABGKGQT-DZGCQCFKSA-N 1 3 330.436 0.583 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875097029 590270541 /nfs/dbraw/zinc/27/05/41/590270541.db2.gz LRLCUSMJZVPRSB-AWEZNQCLSA-N 1 3 330.473 0.099 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875097029 590270543 /nfs/dbraw/zinc/27/05/43/590270543.db2.gz LRLCUSMJZVPRSB-AWEZNQCLSA-N 1 3 330.473 0.099 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C1=CCN(C)CC1 ZINC000875362266 590296186 /nfs/dbraw/zinc/29/61/86/590296186.db2.gz YPTCNQASKRAOAK-IMJJTQAJSA-N 1 3 334.464 0.306 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)C1=CCN(C)CC1 ZINC000875362266 590296188 /nfs/dbraw/zinc/29/61/88/590296188.db2.gz YPTCNQASKRAOAK-IMJJTQAJSA-N 1 3 334.464 0.306 20 0 ECADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000880254487 590379631 /nfs/dbraw/zinc/37/96/31/590379631.db2.gz ZIGPEKIEFQLFTH-INIZCTEOSA-N 1 3 340.512 0.493 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000880254487 590379634 /nfs/dbraw/zinc/37/96/34/590379634.db2.gz ZIGPEKIEFQLFTH-INIZCTEOSA-N 1 3 340.512 0.493 20 0 ECADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000876743306 590407319 /nfs/dbraw/zinc/40/73/19/590407319.db2.gz BLVWCHUYHYSZJL-IAGOWNOFSA-N 1 3 329.444 0.854 20 0 ECADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000876752538 590408941 /nfs/dbraw/zinc/40/89/41/590408941.db2.gz SNSSAPXMZKYIAH-KEMBLGFASA-N 1 3 336.480 0.411 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877086508 590437840 /nfs/dbraw/zinc/43/78/40/590437840.db2.gz YVRPMKMEURCTHC-UHFFFAOYSA-N 1 3 341.477 0.659 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000877339718 590458947 /nfs/dbraw/zinc/45/89/47/590458947.db2.gz GIOCTKZZSIWRCN-LSDHHAIUSA-N 1 3 325.416 0.931 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1=O ZINC000877375510 590461738 /nfs/dbraw/zinc/46/17/38/590461738.db2.gz TUHNXVVYIUWWQY-YYAJDYIMSA-N 1 3 348.491 0.387 20 0 ECADHO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)NC2CCN(C)CC2)C1 ZINC000878453101 590522415 /nfs/dbraw/zinc/52/24/15/590522415.db2.gz GTBQIROPEKAVEG-KGLIPLIRSA-N 1 3 340.468 0.653 20 0 ECADHO COCCN(CC(=O)NC1CCN(C)CC1)CC1CC[NH+](C)CC1 ZINC000879127352 590565362 /nfs/dbraw/zinc/56/53/62/590565362.db2.gz WHKZFVOLERMCPT-UHFFFAOYSA-N 1 3 340.512 0.487 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883298052 590611885 /nfs/dbraw/zinc/61/18/85/590611885.db2.gz HRCQEMMUCDWIBH-UHFFFAOYSA-N 1 3 342.484 0.507 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCN1c1ccncc1 ZINC000883638032 590636390 /nfs/dbraw/zinc/63/63/90/590636390.db2.gz BFDKIKJOZNQXRV-HOCLYGCPSA-N 1 3 345.447 0.459 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCN1c1ccncc1 ZINC000883638033 590636473 /nfs/dbraw/zinc/63/64/73/590636473.db2.gz BFDKIKJOZNQXRV-ZBFHGGJFSA-N 1 3 345.447 0.459 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000883644193 590640437 /nfs/dbraw/zinc/64/04/37/590640437.db2.gz DGAQKDWOEYPZNE-MRXNPFEDSA-N 1 3 345.447 0.331 20 0 ECADHO O=C(C(=O)N1CCNCCC12CCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000883658877 590646008 /nfs/dbraw/zinc/64/60/08/590646008.db2.gz RHAQUCREMOATFG-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@H]21 ZINC000883660812 590647272 /nfs/dbraw/zinc/64/72/72/590647272.db2.gz VFKQNKJLWUGQBU-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@H]21 ZINC000883660812 590647277 /nfs/dbraw/zinc/64/72/77/590647277.db2.gz VFKQNKJLWUGQBU-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883697313 590652339 /nfs/dbraw/zinc/65/23/39/590652339.db2.gz CBZGPHWJTHQIIG-AWEZNQCLSA-N 1 3 339.484 0.452 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974228 590659285 /nfs/dbraw/zinc/65/92/85/590659285.db2.gz PNMDOCRNQYMCGQ-HUUCEWRRSA-N 1 3 338.496 0.822 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885152916 590688934 /nfs/dbraw/zinc/68/89/34/590688934.db2.gz ZLZAFFPQYOLZQV-IRXDYDNUSA-N 1 3 344.459 0.370 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885152916 590688935 /nfs/dbraw/zinc/68/89/35/590688935.db2.gz ZLZAFFPQYOLZQV-IRXDYDNUSA-N 1 3 344.459 0.370 20 0 ECADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885153096 590688980 /nfs/dbraw/zinc/68/89/80/590688980.db2.gz GDAUYSLNPIIDTK-IRXDYDNUSA-N 1 3 344.459 0.370 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884199030 590771982 /nfs/dbraw/zinc/77/19/82/590771982.db2.gz NEBPLPVFAABGGF-HNNXBMFYSA-N 1 3 331.464 0.951 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884199030 590771984 /nfs/dbraw/zinc/77/19/84/590771984.db2.gz NEBPLPVFAABGGF-HNNXBMFYSA-N 1 3 331.464 0.951 20 0 ECADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000884234825 590785139 /nfs/dbraw/zinc/78/51/39/590785139.db2.gz FSVKLPHMTPZRIO-QGZVFWFLSA-N 1 3 345.491 0.956 20 0 ECADHO COCC[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000884235977 590785915 /nfs/dbraw/zinc/78/59/15/590785915.db2.gz JKYZITQGAFWYQJ-OAHLLOKOSA-N 1 3 326.485 0.417 20 0 ECADHO COCC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000884235976 590786036 /nfs/dbraw/zinc/78/60/36/590786036.db2.gz JKYZITQGAFWYQJ-HNNXBMFYSA-N 1 3 326.485 0.417 20 0 ECADHO [NH3+]CC[C@@H](NC(=O)c1ccnc(N2CCNCC2)c1)C(F)(F)F ZINC000884303157 590799979 /nfs/dbraw/zinc/79/99/79/590799979.db2.gz IDIIJKQBIGIGLU-LLVKDONJSA-N 1 3 331.342 0.501 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CCC(C)CC1 ZINC000884503023 590845266 /nfs/dbraw/zinc/84/52/66/590845266.db2.gz ZHBLJNWBZILPJD-OWCLPIDISA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000884518315 590849059 /nfs/dbraw/zinc/84/90/59/590849059.db2.gz LLYDYLANTKBIKD-DZGCQCFKSA-N 1 3 348.447 0.191 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884576141 590861767 /nfs/dbraw/zinc/86/17/67/590861767.db2.gz ATXHVGJKQSQBNK-QWHCGFSZSA-N 1 3 346.422 0.196 20 0 ECADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884578218 590862188 /nfs/dbraw/zinc/86/21/88/590862188.db2.gz WBHBROWTVRQKPF-ULQDDVLXSA-N 1 3 342.443 0.512 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000884578104 590862238 /nfs/dbraw/zinc/86/22/38/590862238.db2.gz SXTQZHIOHOBKRH-YOEHRIQHSA-N 1 3 344.459 0.499 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884601456 590867652 /nfs/dbraw/zinc/86/76/52/590867652.db2.gz LWJQQQQXEAQRIN-MAUKXSAKSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000884625590 590876103 /nfs/dbraw/zinc/87/61/03/590876103.db2.gz NLWXCPGACNFUMZ-IYBDPMFKSA-N 1 3 330.432 0.327 20 0 ECADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000884693148 590899211 /nfs/dbraw/zinc/89/92/11/590899211.db2.gz NMWVGDQNACWYNC-QGZVFWFLSA-N 1 3 344.459 0.588 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCCC3)CC[C@H]21 ZINC000884699958 590901164 /nfs/dbraw/zinc/90/11/64/590901164.db2.gz KQVUIEJGSKSIPE-OWCLPIDISA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCCC3)CC[C@H]21 ZINC000884699958 590901166 /nfs/dbraw/zinc/90/11/66/590901166.db2.gz KQVUIEJGSKSIPE-OWCLPIDISA-N 1 3 336.480 0.563 20 0 ECADHO CN(C)CCn1cc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cn1 ZINC000886935713 590907011 /nfs/dbraw/zinc/90/70/11/590907011.db2.gz UVZRAGWFSYXZJU-LLVKDONJSA-N 1 3 330.383 0.811 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)CC[NH2+]1 ZINC000884718661 590907755 /nfs/dbraw/zinc/90/77/55/590907755.db2.gz LXDBXOWWXLCJBA-KFWWJZLASA-N 1 3 345.447 0.375 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000884776222 590920112 /nfs/dbraw/zinc/92/01/12/590920112.db2.gz PGACYGCYXSZKHT-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000884787556 590923261 /nfs/dbraw/zinc/92/32/61/590923261.db2.gz VNPOTCLACDUGDK-IAGOWNOFSA-N 1 3 344.459 0.418 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000884787556 590923265 /nfs/dbraw/zinc/92/32/65/590923265.db2.gz VNPOTCLACDUGDK-IAGOWNOFSA-N 1 3 344.459 0.418 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000884786184 590923425 /nfs/dbraw/zinc/92/34/25/590923425.db2.gz LGFCLDQSXXGKFJ-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884787048 590923600 /nfs/dbraw/zinc/92/36/00/590923600.db2.gz FHMYQJUFHVKLRX-KDOFPFPSSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000887091274 590942343 /nfs/dbraw/zinc/94/23/43/590942343.db2.gz GGNZHJBKVBEBRI-WRSVWVKZSA-N 1 3 343.431 0.068 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC000887091675 590943040 /nfs/dbraw/zinc/94/30/40/590943040.db2.gz SBTQCCXNXCWIEN-LSDHHAIUSA-N 1 3 345.447 0.329 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946586336 611355353 /nfs/dbraw/zinc/35/53/53/611355353.db2.gz CXOCJISNJLFTJA-XHSDSOJGSA-N 1 3 336.480 0.515 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946586336 611355354 /nfs/dbraw/zinc/35/53/54/611355354.db2.gz CXOCJISNJLFTJA-XHSDSOJGSA-N 1 3 336.480 0.515 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000929990455 611376240 /nfs/dbraw/zinc/37/62/40/611376240.db2.gz AMORRYNLQBXGBP-HNNXBMFYSA-N 1 3 336.480 0.435 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000929990455 611376244 /nfs/dbraw/zinc/37/62/44/611376244.db2.gz AMORRYNLQBXGBP-HNNXBMFYSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946633129 611377298 /nfs/dbraw/zinc/37/72/98/611377298.db2.gz JOLODYCXUNKNRF-JONQDZQNSA-N 1 3 338.496 0.617 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946633129 611377303 /nfs/dbraw/zinc/37/73/03/611377303.db2.gz JOLODYCXUNKNRF-JONQDZQNSA-N 1 3 338.496 0.617 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642686 611383682 /nfs/dbraw/zinc/38/36/82/611383682.db2.gz PQHUTZGZSNCXCM-TWMKSMIVSA-N 1 3 348.491 0.659 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642686 611383685 /nfs/dbraw/zinc/38/36/85/611383685.db2.gz PQHUTZGZSNCXCM-TWMKSMIVSA-N 1 3 348.491 0.659 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000930826674 611469702 /nfs/dbraw/zinc/46/97/02/611469702.db2.gz GDUFIDGNWNZBNE-HNNXBMFYSA-N 1 3 338.496 0.683 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000930826674 611469706 /nfs/dbraw/zinc/46/97/06/611469706.db2.gz GDUFIDGNWNZBNE-HNNXBMFYSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000946793375 611481262 /nfs/dbraw/zinc/48/12/62/611481262.db2.gz APIZTOUEFKZCAY-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000946793375 611481263 /nfs/dbraw/zinc/48/12/63/611481263.db2.gz APIZTOUEFKZCAY-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]3CC2)CC1 ZINC000946809219 611497491 /nfs/dbraw/zinc/49/74/91/611497491.db2.gz ZGJNMIHUJSPVLQ-IYBDPMFKSA-N 1 3 336.480 0.374 20 0 ECADHO Cn1ccn2c(CCN[C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)nnc2c1=O ZINC000925773803 611499516 /nfs/dbraw/zinc/49/95/16/611499516.db2.gz PKTNPEUOHIXKFR-HUUCEWRRSA-N 1 3 344.463 0.728 20 0 ECADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCN1Cc2ccccc2OCC1=O ZINC000925805986 611502222 /nfs/dbraw/zinc/50/22/22/611502222.db2.gz NJVHPCJSFFUQOZ-BPUTZDHNSA-N 1 3 333.432 0.750 20 0 ECADHO CCO[C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)C[NH+](C)C ZINC000926846184 611572129 /nfs/dbraw/zinc/57/21/29/611572129.db2.gz OLTPYRHECJJEEZ-HUUCEWRRSA-N 1 3 330.473 0.099 20 0 ECADHO CCO[C@@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)C[NH+](C)C ZINC000926846183 611572270 /nfs/dbraw/zinc/57/22/70/611572270.db2.gz OLTPYRHECJJEEZ-GJZGRUSLSA-N 1 3 330.473 0.099 20 0 ECADHO CCO[C@@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)C[NH+](C)C ZINC000926846182 611572396 /nfs/dbraw/zinc/57/23/96/611572396.db2.gz OLTPYRHECJJEEZ-CABCVRRESA-N 1 3 330.473 0.099 20 0 ECADHO CCO[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1)C[NH+](C)C ZINC000932471139 611632106 /nfs/dbraw/zinc/63/21/06/611632106.db2.gz VYRULALKFPGCEC-LSDHHAIUSA-N 1 3 342.484 0.010 20 0 ECADHO CCO[C@H](CNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1)C[NH+](C)C ZINC000932471599 611632177 /nfs/dbraw/zinc/63/21/77/611632177.db2.gz XMBQMUQMPKGSJV-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO C[NH+]1CCC(C(=O)NC2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000956411623 608860093 /nfs/dbraw/zinc/86/00/93/608860093.db2.gz QTRCGZXAJPZRDD-UHFFFAOYSA-N 1 3 347.463 0.791 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000936083510 609072019 /nfs/dbraw/zinc/07/20/19/609072019.db2.gz XXXZDXSQKRXJHM-MRXNPFEDSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000938193471 609512754 /nfs/dbraw/zinc/51/27/54/609512754.db2.gz KJVJEOMRPYOOLD-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC000938307173 609662313 /nfs/dbraw/zinc/66/23/13/609662313.db2.gz QJQUFOQYDXERDB-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000938318997 609733191 /nfs/dbraw/zinc/73/31/91/609733191.db2.gz BVVIRERRJHIKFH-LSDHHAIUSA-N 1 3 336.480 0.386 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000938402539 609778952 /nfs/dbraw/zinc/77/89/52/609778952.db2.gz WNOMNBAOBAAERC-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000910972079 609785993 /nfs/dbraw/zinc/78/59/93/609785993.db2.gz PDUMKUPAQIPQKG-HOTGVXAUSA-N 1 3 346.475 0.390 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000911089387 609807510 /nfs/dbraw/zinc/80/75/10/609807510.db2.gz BMDFZOCDDXNVNS-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)N1CCC(C)CC1 ZINC000911089892 609807902 /nfs/dbraw/zinc/80/79/02/609807902.db2.gz GKLSNEYCBMFHTI-HOTGVXAUSA-N 1 3 338.496 0.871 20 0 ECADHO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCN(CCCCCO)CC1 ZINC000913695674 609813412 /nfs/dbraw/zinc/81/34/12/609813412.db2.gz MMWNUOQPHMVVGH-MRXNPFEDSA-N 1 3 325.453 0.014 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000911156115 609816627 /nfs/dbraw/zinc/81/66/27/609816627.db2.gz BAYXQHSTMKZWNY-SAZUREKKSA-N 1 3 344.459 0.055 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911161545 609817590 /nfs/dbraw/zinc/81/75/90/609817590.db2.gz LRVUTONHBUGDAN-QAPCUYQASA-N 1 3 336.480 0.564 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911162535 609818019 /nfs/dbraw/zinc/81/80/19/609818019.db2.gz TXSHJQUVWLRGCY-KBRIMQKVSA-N 1 3 344.459 0.718 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C[NH+]1CCCC1 ZINC000911269882 609834544 /nfs/dbraw/zinc/83/45/44/609834544.db2.gz PNRPXTKTCZHGBX-IAOVAPTHSA-N 1 3 344.459 0.575 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911257724 609837643 /nfs/dbraw/zinc/83/76/43/609837643.db2.gz KTQSIOOCRJZUSC-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911257315 609837765 /nfs/dbraw/zinc/83/77/65/609837765.db2.gz GOFDQJIYNCRHJA-RDTXWAMCSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911326128 609848698 /nfs/dbraw/zinc/84/86/98/609848698.db2.gz ZURLHCOHRWWUBK-WXYCVUISSA-N 1 3 330.432 0.184 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911334149 609850385 /nfs/dbraw/zinc/85/03/85/609850385.db2.gz XOSVUHATBPWEEY-CVEARBPZSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000938607883 609893360 /nfs/dbraw/zinc/89/33/60/609893360.db2.gz RLVOCGVFDYHOFY-VHDGCEQUSA-N 1 3 333.436 0.352 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000938607883 609893362 /nfs/dbraw/zinc/89/33/62/609893362.db2.gz RLVOCGVFDYHOFY-VHDGCEQUSA-N 1 3 333.436 0.352 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C1 ZINC000911634573 609904266 /nfs/dbraw/zinc/90/42/66/609904266.db2.gz OVXFIOFAMXKXMU-DOMZBBRYSA-N 1 3 330.432 0.970 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000938761699 609979732 /nfs/dbraw/zinc/97/97/32/609979732.db2.gz KGOTURLLKFPIQZ-HOTGVXAUSA-N 1 3 347.463 0.886 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000938761699 609979733 /nfs/dbraw/zinc/97/97/33/609979733.db2.gz KGOTURLLKFPIQZ-HOTGVXAUSA-N 1 3 347.463 0.886 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000938768616 609985607 /nfs/dbraw/zinc/98/56/07/609985607.db2.gz MPOBPXCMUAYFHW-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000938898273 610023193 /nfs/dbraw/zinc/02/31/93/610023193.db2.gz NVSGOELOODBJGO-HNNXBMFYSA-N 1 3 345.447 0.640 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000938914240 610041409 /nfs/dbraw/zinc/04/14/09/610041409.db2.gz RUUZIMFJGFRGSY-AWEZNQCLSA-N 1 3 331.420 0.107 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000939909302 610169023 /nfs/dbraw/zinc/16/90/23/610169023.db2.gz CVNHXHFDVCWMMQ-BPLDGKMQSA-N 1 3 333.436 0.352 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000939909302 610169024 /nfs/dbraw/zinc/16/90/24/610169024.db2.gz CVNHXHFDVCWMMQ-BPLDGKMQSA-N 1 3 333.436 0.352 20 0 ECADHO CC1CC(CN2CC(N3CCN(C(=O)C45CC[NH+](CC4)C5)CC3)C2)C1 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C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000969705362 732064135 /nfs/dbraw/zinc/06/41/35/732064135.db2.gz WTAJBHBHSRBVNT-CKEIUWERSA-N 1 3 346.475 0.662 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000969705362 732064137 /nfs/dbraw/zinc/06/41/37/732064137.db2.gz WTAJBHBHSRBVNT-CKEIUWERSA-N 1 3 346.475 0.662 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)n1 ZINC000969950759 732552433 /nfs/dbraw/zinc/55/24/33/732552433.db2.gz JNWRREZZMIFZAQ-CZUORRHYSA-N 1 3 334.468 0.570 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1)N(C)C ZINC000969986058 732588850 /nfs/dbraw/zinc/58/88/50/732588850.db2.gz QJINHMPVXKDIMB-KBMXLJTQSA-N 1 3 336.480 0.671 20 0 ECADHO Cn1cc(CN2CC[C@@]3(CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)cn1 ZINC001041829376 782290047 /nfs/dbraw/zinc/29/00/47/782290047.db2.gz STQIYHRZZGBRNB-SJLPKXTDSA-N 1 3 331.464 0.796 20 0 ECADHO Cn1cc(CN2CC[C@@]3(CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)cn1 ZINC001041829376 782290055 /nfs/dbraw/zinc/29/00/55/782290055.db2.gz STQIYHRZZGBRNB-SJLPKXTDSA-N 1 3 331.464 0.796 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC2CCC2)C1)N(C)C ZINC001209668113 733031630 /nfs/dbraw/zinc/03/16/30/733031630.db2.gz BIQLOEKCLLRNIX-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001167224130 733067430 /nfs/dbraw/zinc/06/74/30/733067430.db2.gz DZCLTJVTQHOWLY-CQSZACIVSA-N 1 3 336.480 0.625 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)CC1 ZINC000970384551 733452935 /nfs/dbraw/zinc/45/29/35/733452935.db2.gz GAQPXQNHDUBLOH-HZPDHXFCSA-N 1 3 336.480 0.576 20 0 ECADHO CO[C@H](C)CN1CC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970557855 733671521 /nfs/dbraw/zinc/67/15/21/733671521.db2.gz OESCAKIPXVIHMN-KGLIPLIRSA-N 1 3 337.468 0.530 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCCC3)C2)C1 ZINC000970711215 733858574 /nfs/dbraw/zinc/85/85/74/733858574.db2.gz CMTLUXSCFDDTCL-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCCC3)C2)C1 ZINC000970711215 733858575 /nfs/dbraw/zinc/85/85/75/733858575.db2.gz CMTLUXSCFDDTCL-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC000970718954 733867049 /nfs/dbraw/zinc/86/70/49/733867049.db2.gz YNTDPDPCAHVDGA-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC000970718483 733869218 /nfs/dbraw/zinc/86/92/18/733869218.db2.gz WKMSOEUKPVQJEA-CQSZACIVSA-N 1 3 325.844 0.823 20 0 ECADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC000970792536 733943625 /nfs/dbraw/zinc/94/36/25/733943625.db2.gz NDPSBSNQILKQLW-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H](NCc2cncc(F)c2)C1 ZINC001210678959 733957886 /nfs/dbraw/zinc/95/78/86/733957886.db2.gz YWNJWJXXHWPKHU-MRXNPFEDSA-N 1 3 338.427 0.880 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC000971685988 734951419 /nfs/dbraw/zinc/95/14/19/734951419.db2.gz PZZPYFHBXHMCJO-IRXDYDNUSA-N 1 3 348.495 0.768 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC000971685988 734951422 /nfs/dbraw/zinc/95/14/22/734951422.db2.gz PZZPYFHBXHMCJO-IRXDYDNUSA-N 1 3 348.495 0.768 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)Cc3ccn(C)c(=O)c3)C2)C1 ZINC000972334476 735960226 /nfs/dbraw/zinc/96/02/26/735960226.db2.gz HAKHMTOWWQNDEQ-WBVHZDCISA-N 1 3 346.475 0.760 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccn(C)c(=O)c3)C2)C1 ZINC000972334476 735960229 /nfs/dbraw/zinc/96/02/29/735960229.db2.gz HAKHMTOWWQNDEQ-WBVHZDCISA-N 1 3 346.475 0.760 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001167626752 736147646 /nfs/dbraw/zinc/14/76/46/736147646.db2.gz GWUVNNSBSGWCGT-INIZCTEOSA-N 1 3 338.496 0.966 20 0 ECADHO CO[C@@H](C)C[N@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572412 736271972 /nfs/dbraw/zinc/27/19/72/736271972.db2.gz GRJLFGAJOYUVID-HNNXBMFYSA-N 1 3 329.485 0.647 20 0 ECADHO CO[C@@H](C)C[N@@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572412 736271976 /nfs/dbraw/zinc/27/19/76/736271976.db2.gz GRJLFGAJOYUVID-HNNXBMFYSA-N 1 3 329.485 0.647 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001023131037 736526574 /nfs/dbraw/zinc/52/65/74/736526574.db2.gz UKKUBPSMCZHWOP-XUWVNRHRSA-N 1 3 346.479 0.877 20 0 ECADHO C[C@@H](C(N)=O)N1CCC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468813 736880333 /nfs/dbraw/zinc/88/03/33/736880333.db2.gz ZSPQSHZYGBFKJH-STQMWFEESA-N 1 3 329.404 0.650 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468813 736880335 /nfs/dbraw/zinc/88/03/35/736880335.db2.gz ZSPQSHZYGBFKJH-STQMWFEESA-N 1 3 329.404 0.650 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468813 736880336 /nfs/dbraw/zinc/88/03/36/736880336.db2.gz ZSPQSHZYGBFKJH-STQMWFEESA-N 1 3 329.404 0.650 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023704034 737220464 /nfs/dbraw/zinc/22/04/64/737220464.db2.gz YYCMUDWLJRTZMC-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(CCN3CCCC3=O)C2)C1 ZINC001023750286 737296418 /nfs/dbraw/zinc/29/64/18/737296418.db2.gz JSUSWDBXKVZPEQ-HOTGVXAUSA-N 1 3 336.480 0.389 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(CCN3CCCC3=O)C2)C1 ZINC001023750286 737296421 /nfs/dbraw/zinc/29/64/21/737296421.db2.gz JSUSWDBXKVZPEQ-HOTGVXAUSA-N 1 3 336.480 0.389 20 0 ECADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C23CCC[NH+]2CCC3)n1 ZINC001087257617 737413536 /nfs/dbraw/zinc/41/35/36/737413536.db2.gz ARCQATHAFWOLEQ-UHFFFAOYSA-N 1 3 333.436 0.925 20 0 ECADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067465857 737414730 /nfs/dbraw/zinc/41/47/30/737414730.db2.gz QZJWOQWUSLLXOB-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067465857 737414733 /nfs/dbraw/zinc/41/47/33/737414733.db2.gz QZJWOQWUSLLXOB-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001023891498 737461497 /nfs/dbraw/zinc/46/14/97/737461497.db2.gz QSBTUSAEGHJZEC-GDBMZVCRSA-N 1 3 347.463 0.908 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001023986122 737583057 /nfs/dbraw/zinc/58/30/57/737583057.db2.gz CKQGCBAXPDKTDC-RHSMWYFYSA-N 1 3 346.479 0.485 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001024016678 737619098 /nfs/dbraw/zinc/61/90/98/737619098.db2.gz MGZNTNHPQBJTFW-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CCCN(C)C(=O)[C@H](C1CC1)[NH+](C)C)C(=O)CN1CCCC1 ZINC001067466848 737631499 /nfs/dbraw/zinc/63/14/99/737631499.db2.gz IERCZLJEWWMRTR-KRWDZBQOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)n1 ZINC001087261042 737673877 /nfs/dbraw/zinc/67/38/77/737673877.db2.gz PWQAGQBFGAVGCL-KBPBESRZSA-N 1 3 333.436 0.925 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)n1 ZINC001087261042 737673878 /nfs/dbraw/zinc/67/38/78/737673878.db2.gz PWQAGQBFGAVGCL-KBPBESRZSA-N 1 3 333.436 0.925 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001024135766 737746510 /nfs/dbraw/zinc/74/65/10/737746510.db2.gz POTSNBWQLSSESL-OAHLLOKOSA-N 1 3 348.495 0.968 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNCc3nncn3C)C2)C1 ZINC001024157044 737788033 /nfs/dbraw/zinc/78/80/33/737788033.db2.gz WIRUQDWPRCPWMJ-HUUCEWRRSA-N 1 3 334.468 0.485 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNCc3nncn3C)C2)C1 ZINC001024157044 737788035 /nfs/dbraw/zinc/78/80/35/737788035.db2.gz WIRUQDWPRCPWMJ-HUUCEWRRSA-N 1 3 334.468 0.485 20 0 ECADHO CN1CCC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178560 737800429 /nfs/dbraw/zinc/80/04/29/737800429.db2.gz AXKZUWHTLFANOC-UKRRQHHQSA-N 1 3 333.436 0.401 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024180432 737801771 /nfs/dbraw/zinc/80/17/71/737801771.db2.gz XLIYCEJYESYQPA-DZGCQCFKSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@@H](NC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nncn1C ZINC001024238098 737845082 /nfs/dbraw/zinc/84/50/82/737845082.db2.gz HWGWNGJEPPTYOU-HUUCEWRRSA-N 1 3 346.479 0.800 20 0 ECADHO C[C@H](O)CN1CCCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001024443653 737978038 /nfs/dbraw/zinc/97/80/38/737978038.db2.gz ODIYERSGSFZDQL-GJZGRUSLSA-N 1 3 337.468 0.410 20 0 ECADHO C[C@H](O)CN1CCCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024702616 738227780 /nfs/dbraw/zinc/22/77/80/738227780.db2.gz XSTOIYVEIPCVQM-HOCLYGCPSA-N 1 3 337.468 0.410 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)NC[C@H]2CCCCN2CCCO)cn1 ZINC001024701614 738231244 /nfs/dbraw/zinc/23/12/44/738231244.db2.gz GYBUIOMRVBGXGT-MRXNPFEDSA-N 1 3 337.468 0.411 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001067535731 738396603 /nfs/dbraw/zinc/39/66/03/738396603.db2.gz DIXMULLXSCASKB-OAGGEKHMSA-N 1 3 340.512 0.974 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001067535731 738396605 /nfs/dbraw/zinc/39/66/05/738396605.db2.gz DIXMULLXSCASKB-OAGGEKHMSA-N 1 3 340.512 0.974 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN2CCCC2)C1 ZINC001006459763 751409812 /nfs/dbraw/zinc/40/98/12/751409812.db2.gz YDUGTGSQKBHJSQ-CQSZACIVSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001006460184 751410585 /nfs/dbraw/zinc/41/05/85/751410585.db2.gz ZQURCWVZAIHNNX-XJKSGUPXSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104676244 739456525 /nfs/dbraw/zinc/45/65/25/739456525.db2.gz BBTDCTIJBKMKCI-IXDOHACOSA-N 1 3 348.495 0.837 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCO)C2)C1 ZINC001087387523 740290814 /nfs/dbraw/zinc/29/08/14/740290814.db2.gz FUILVHGSZVIGNH-QAETUUGQSA-N 1 3 335.492 0.879 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCO)C2)C1 ZINC001087387523 740290818 /nfs/dbraw/zinc/29/08/18/740290818.db2.gz FUILVHGSZVIGNH-QAETUUGQSA-N 1 3 335.492 0.879 20 0 ECADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001026044171 740328301 /nfs/dbraw/zinc/32/83/01/740328301.db2.gz KSQNHKNBCHZCOA-FGYQQCIJSA-N 1 3 346.479 0.139 20 0 ECADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001026044171 740328305 /nfs/dbraw/zinc/32/83/05/740328305.db2.gz KSQNHKNBCHZCOA-FGYQQCIJSA-N 1 3 346.479 0.139 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001104938344 740979576 /nfs/dbraw/zinc/97/95/76/740979576.db2.gz UTOWMASXEOQKOM-OWCLPIDISA-N 1 3 340.512 0.879 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000974164147 741039863 /nfs/dbraw/zinc/03/98/63/741039863.db2.gz YJFNHGCNZMOKGA-SIXLDLHFSA-N 1 3 348.491 0.433 20 0 ECADHO Cn1ncnc1CN[C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001026399900 741231636 /nfs/dbraw/zinc/23/16/36/741231636.db2.gz AGCNPYKPKSCBKA-SOUVJXGZSA-N 1 3 344.463 0.238 20 0 ECADHO CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C)C(N)=O ZINC001105066963 741285340 /nfs/dbraw/zinc/28/53/40/741285340.db2.gz HLIBMJVXJFSDHX-KFWWJZLASA-N 1 3 326.485 0.665 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001026598311 741596456 /nfs/dbraw/zinc/59/64/56/741596456.db2.gz AAIDBXWFOVMAEL-JXQTWKCFSA-N 1 3 333.436 0.556 20 0 ECADHO C[NH+](C)CC1(C(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)CC1 ZINC001105314664 741733553 /nfs/dbraw/zinc/73/35/53/741733553.db2.gz ZWGHYLIBDCADSV-UHFFFAOYSA-N 1 3 346.479 0.893 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001026735018 741733644 /nfs/dbraw/zinc/73/36/44/741733644.db2.gz XZSDQWBMPSQFLZ-YOEHRIQHSA-N 1 3 331.464 0.862 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026734293 741739164 /nfs/dbraw/zinc/73/91/64/741739164.db2.gz MLDXDHUVVGZQRX-LSDHHAIUSA-N 1 3 334.468 0.639 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105326655 741808872 /nfs/dbraw/zinc/80/88/72/741808872.db2.gz APBCWJFQGCJEPM-AWEZNQCLSA-N 1 3 334.468 0.893 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105326655 741808878 /nfs/dbraw/zinc/80/88/78/741808878.db2.gz APBCWJFQGCJEPM-AWEZNQCLSA-N 1 3 334.468 0.893 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N(C)C ZINC000974585111 741921922 /nfs/dbraw/zinc/92/19/22/741921922.db2.gz UPLSVYKQIKECGH-OWCLPIDISA-N 1 3 348.491 0.482 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CN(CCCO)CC2(C)C)n1 ZINC000974599763 741932838 /nfs/dbraw/zinc/93/28/38/741932838.db2.gz ZWINJLXBLBWNIF-HNNXBMFYSA-N 1 3 337.468 0.267 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026841453 741948130 /nfs/dbraw/zinc/94/81/30/741948130.db2.gz IBFDXUQSAJGRFU-ZBFHGGJFSA-N 1 3 334.468 0.626 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026841453 741948136 /nfs/dbraw/zinc/94/81/36/741948136.db2.gz IBFDXUQSAJGRFU-ZBFHGGJFSA-N 1 3 334.468 0.626 20 0 ECADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](CNCc2cnns2)C1 ZINC001026846837 741953855 /nfs/dbraw/zinc/95/38/55/741953855.db2.gz FGLVTPMCVAEEID-SWLSCSKDSA-N 1 3 335.477 0.818 20 0 ECADHO CCn1c(C)nnc1CNC[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001026886596 742042994 /nfs/dbraw/zinc/04/29/94/742042994.db2.gz BEVRGUKHLRJRKU-PBHICJAKSA-N 1 3 348.495 0.885 20 0 ECADHO Cn1cc(CNC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)nn1 ZINC001026912794 742073689 /nfs/dbraw/zinc/07/36/89/742073689.db2.gz UQRHVZMMAQMVSU-OAHLLOKOSA-N 1 3 346.479 0.629 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccnc(OC)n2)C1)N(C)C ZINC001026916534 742092611 /nfs/dbraw/zinc/09/26/11/742092611.db2.gz JJAVXGYDQSRULC-UKRRQHHQSA-N 1 3 335.452 0.764 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)on1 ZINC001027037291 742349738 /nfs/dbraw/zinc/34/97/38/742349738.db2.gz RYUFKDUYHCGBSU-ZDUSSCGKSA-N 1 3 336.436 0.963 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027066642 742440457 /nfs/dbraw/zinc/44/04/57/742440457.db2.gz WCJXSYMDIDQANT-OAHLLOKOSA-N 1 3 348.495 0.968 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001027091414 742525078 /nfs/dbraw/zinc/52/50/78/742525078.db2.gz MFSRXRIVSGFNRW-OCCSQVGLSA-N 1 3 329.408 0.169 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3cnnn3C)C2)CC1 ZINC001027139357 742719459 /nfs/dbraw/zinc/71/94/59/742719459.db2.gz GVNZYZOEGRSIMS-OAHLLOKOSA-N 1 3 334.468 0.485 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001027139956 742748951 /nfs/dbraw/zinc/74/89/51/742748951.db2.gz VDICOJWEECLIBY-JKSUJKDBSA-N 1 3 336.480 0.435 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000975402077 742807416 /nfs/dbraw/zinc/80/74/16/742807416.db2.gz KYCLNYHYVOGDOX-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027171405 742994173 /nfs/dbraw/zinc/99/41/73/742994173.db2.gz YXHGVPLDYHMFND-HUUCEWRRSA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027171405 742994179 /nfs/dbraw/zinc/99/41/79/742994179.db2.gz YXHGVPLDYHMFND-HUUCEWRRSA-N 1 3 334.468 0.578 20 0 ECADHO CCn1ccc(CNC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001027172756 743001488 /nfs/dbraw/zinc/00/14/88/743001488.db2.gz CHTKCXOUOAYKRO-OAHLLOKOSA-N 1 3 331.464 0.937 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC000997014052 743131031 /nfs/dbraw/zinc/13/10/31/743131031.db2.gz FKZMTDNLHKCJQT-HIFRSBDPSA-N 1 3 345.509 0.342 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC000997014056 743131403 /nfs/dbraw/zinc/13/14/03/743131403.db2.gz FKZMTDNLHKCJQT-ZFWWWQNUSA-N 1 3 345.509 0.342 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC000997040588 743160571 /nfs/dbraw/zinc/16/05/71/743160571.db2.gz HFRIKQROGQOFRL-ZDUSSCGKSA-N 1 3 333.436 0.449 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC000997363716 743535135 /nfs/dbraw/zinc/53/51/35/743535135.db2.gz IZOFKMWJDJJJHF-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001020586512 751843773 /nfs/dbraw/zinc/84/37/73/751843773.db2.gz PRXPNBLCJMOPSK-AJNGGQMLSA-N 1 3 332.452 0.487 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001020586366 751844644 /nfs/dbraw/zinc/84/46/44/751844644.db2.gz MVRUPHWTDFRIOZ-BPLDGKMQSA-N 1 3 333.436 0.706 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001020586366 751844651 /nfs/dbraw/zinc/84/46/51/751844651.db2.gz MVRUPHWTDFRIOZ-BPLDGKMQSA-N 1 3 333.436 0.706 20 0 ECADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000997855823 743853999 /nfs/dbraw/zinc/85/39/99/743853999.db2.gz QDXXUBYXOZXEBH-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020592950 751866717 /nfs/dbraw/zinc/86/67/17/751866717.db2.gz SWBKQDLKKNFBCC-NGFQHRJXSA-N 1 3 334.468 0.541 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020592950 751866727 /nfs/dbraw/zinc/86/67/27/751866727.db2.gz SWBKQDLKKNFBCC-NGFQHRJXSA-N 1 3 334.468 0.541 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC000998040237 743944540 /nfs/dbraw/zinc/94/45/40/743944540.db2.gz NHFFVDPGFISVJL-JKSUJKDBSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000998046594 743946432 /nfs/dbraw/zinc/94/64/32/743946432.db2.gz KHMSUXXIGIBOFK-JKSUJKDBSA-N 1 3 338.496 0.632 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000998083848 743969486 /nfs/dbraw/zinc/96/94/86/743969486.db2.gz XYNYRLPWBNQTRL-HNNXBMFYSA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000998086296 743971092 /nfs/dbraw/zinc/97/10/92/743971092.db2.gz QDXXUBYXOZXEBH-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+]([C@H]3CCNC3=O)C[C@]2(C)C1)C1CC1 ZINC000982295787 751898575 /nfs/dbraw/zinc/89/85/75/751898575.db2.gz FEZSLWRTMUMLLC-STEAMIEHSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCNC3=O)C[C@]2(C)C1)C1CC1 ZINC000982295787 751898586 /nfs/dbraw/zinc/89/85/86/751898586.db2.gz FEZSLWRTMUMLLC-STEAMIEHSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000998558475 744226792 /nfs/dbraw/zinc/22/67/92/744226792.db2.gz XOYQTYVNPMLZBF-UYSNPLJNSA-N 1 3 332.448 0.559 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)CN3CCCC3)C2)CC1 ZINC000998936743 744415209 /nfs/dbraw/zinc/41/52/09/744415209.db2.gz JDLXLGDZDAEMBM-UHFFFAOYSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC000999145297 744534466 /nfs/dbraw/zinc/53/44/66/744534466.db2.gz QHRRBWYJNDOOGL-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC000999145297 744534470 /nfs/dbraw/zinc/53/44/70/744534470.db2.gz QHRRBWYJNDOOGL-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999161183 744542150 /nfs/dbraw/zinc/54/21/50/744542150.db2.gz HQNFSHPHHXXSBS-CABCVRRESA-N 1 3 336.480 0.707 20 0 ECADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999161183 744542152 /nfs/dbraw/zinc/54/21/52/744542152.db2.gz HQNFSHPHHXXSBS-CABCVRRESA-N 1 3 336.480 0.707 20 0 ECADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1)C1CCC1 ZINC000999366099 744656707 /nfs/dbraw/zinc/65/67/07/744656707.db2.gz VGCFGJIAIUSHAT-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)n1 ZINC000999406139 744680472 /nfs/dbraw/zinc/68/04/72/744680472.db2.gz KPVUNRFUYJXRJX-IGEOTXOUSA-N 1 3 348.495 0.958 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000999846736 744938910 /nfs/dbraw/zinc/93/89/10/744938910.db2.gz GGSYLMCPNVVLER-CWRNSKLLSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000999846736 744938912 /nfs/dbraw/zinc/93/89/12/744938912.db2.gz GGSYLMCPNVVLER-CWRNSKLLSA-N 1 3 336.480 0.528 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000999877419 744985726 /nfs/dbraw/zinc/98/57/26/744985726.db2.gz NZYSVQLGTWECOM-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000999877419 744985730 /nfs/dbraw/zinc/98/57/30/744985730.db2.gz NZYSVQLGTWECOM-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)o1 ZINC000983715820 745092075 /nfs/dbraw/zinc/09/20/75/745092075.db2.gz KRCGBCHMKIHZDJ-ANQUJSFKSA-N 1 3 348.447 0.831 20 0 ECADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)o1 ZINC000983715820 745092080 /nfs/dbraw/zinc/09/20/80/745092080.db2.gz KRCGBCHMKIHZDJ-ANQUJSFKSA-N 1 3 348.447 0.831 20 0 ECADHO C[C@@H](NCc1nncn1C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001029147596 745167598 /nfs/dbraw/zinc/16/75/98/745167598.db2.gz XLHSPYOTVGMYQM-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1nncn1C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001029147596 745167603 /nfs/dbraw/zinc/16/76/03/745167603.db2.gz XLHSPYOTVGMYQM-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO Cc1nnc(CN[C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001029170261 745200818 /nfs/dbraw/zinc/20/08/18/745200818.db2.gz LKDIBNCIYQTIOF-SWLSCSKDSA-N 1 3 334.468 0.782 20 0 ECADHO Cc1nnc(CN[C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001029170261 745200822 /nfs/dbraw/zinc/20/08/22/745200822.db2.gz LKDIBNCIYQTIOF-SWLSCSKDSA-N 1 3 334.468 0.782 20 0 ECADHO Cn1ccc(CN2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1=O ZINC000977590670 745221009 /nfs/dbraw/zinc/22/10/09/745221009.db2.gz UHFNBGZBSPGZMD-HOTGVXAUSA-N 1 3 346.475 0.664 20 0 ECADHO Cn1ccc(CN2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1=O ZINC000977590670 745221011 /nfs/dbraw/zinc/22/10/11/745221011.db2.gz UHFNBGZBSPGZMD-HOTGVXAUSA-N 1 3 346.475 0.664 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001000189801 745325568 /nfs/dbraw/zinc/32/55/68/745325568.db2.gz FAXXADIHLPHIRI-DOTOQJQBSA-N 1 3 333.480 0.885 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)n1 ZINC001000189141 745325650 /nfs/dbraw/zinc/32/56/50/745325650.db2.gz CVTGHHYWIRPSCK-RHSMWYFYSA-N 1 3 348.495 0.817 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000977762348 745488065 /nfs/dbraw/zinc/48/80/65/745488065.db2.gz VCZNCMPRYNWSRY-HOTGVXAUSA-N 1 3 345.447 0.353 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001000592836 745622644 /nfs/dbraw/zinc/62/26/44/745622644.db2.gz FFCBOYKEJHPMSI-JKSUJKDBSA-N 1 3 336.480 0.576 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1)N(C)C ZINC000977940699 745672766 /nfs/dbraw/zinc/67/27/66/745672766.db2.gz DHCWIKDCGKTCJO-HOTGVXAUSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001027575660 745711056 /nfs/dbraw/zinc/71/10/56/745711056.db2.gz BYODKTYRJLOVNE-HZPDHXFCSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027575660 745711061 /nfs/dbraw/zinc/71/10/61/745711061.db2.gz BYODKTYRJLOVNE-HZPDHXFCSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCn3cncn3)C2)C1 ZINC001027576084 745718375 /nfs/dbraw/zinc/71/83/75/745718375.db2.gz JXMDYCMEUWZXSN-JKSUJKDBSA-N 1 3 334.468 0.543 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCn3cncn3)C2)C1 ZINC001027576084 745718377 /nfs/dbraw/zinc/71/83/77/745718377.db2.gz JXMDYCMEUWZXSN-JKSUJKDBSA-N 1 3 334.468 0.543 20 0 ECADHO CN(C[C@H]1CCN1C(=O)[C@@H]1CCCN1C)C(=O)C12CC[NH+](CC1)C2 ZINC000978052455 745861679 /nfs/dbraw/zinc/86/16/79/745861679.db2.gz JHIIXBYPCUGHRY-CABCVRRESA-N 1 3 334.464 0.236 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]2CN(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000978073258 745881286 /nfs/dbraw/zinc/88/12/86/745881286.db2.gz VROJNESDDMDNFW-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO COc1ncc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001000917146 745896543 /nfs/dbraw/zinc/89/65/43/745896543.db2.gz KEARBZTVUJCLFY-HOCLYGCPSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001000917146 745896551 /nfs/dbraw/zinc/89/65/51/745896551.db2.gz KEARBZTVUJCLFY-HOCLYGCPSA-N 1 3 347.463 0.826 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001000990715 745956808 /nfs/dbraw/zinc/95/68/08/745956808.db2.gz HSTJSWRWYQTYPT-DLBZAZTESA-N 1 3 344.459 0.831 20 0 ECADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001394025 746337085 /nfs/dbraw/zinc/33/70/85/746337085.db2.gz UAZQVRRUSXUUQZ-HZPDHXFCSA-N 1 3 338.496 0.951 20 0 ECADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001394025 746337090 /nfs/dbraw/zinc/33/70/90/746337090.db2.gz UAZQVRRUSXUUQZ-HZPDHXFCSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCc4ncnn43)C2)C1 ZINC000984806509 746962278 /nfs/dbraw/zinc/96/22/78/746962278.db2.gz YIBDNMPOIFFGEQ-YHUYYLMFSA-N 1 3 346.479 0.592 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1)N(C)C ZINC001088011445 747050703 /nfs/dbraw/zinc/05/07/03/747050703.db2.gz NKZSRHKTPOTSJD-OWCLPIDISA-N 1 3 334.468 0.399 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1)N(C)C ZINC001088011445 747050708 /nfs/dbraw/zinc/05/07/08/747050708.db2.gz NKZSRHKTPOTSJD-OWCLPIDISA-N 1 3 334.468 0.399 20 0 ECADHO CN(C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(=O)C12CC[NH+](CC1)C2 ZINC001002277654 747156103 /nfs/dbraw/zinc/15/61/03/747156103.db2.gz LCZFTSKVGXYGBA-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO Cc1ncc(CNCCCNC(=O)c2cnn(CC[NH+](C)C)c2)o1 ZINC001168052089 747411196 /nfs/dbraw/zinc/41/11/96/747411196.db2.gz LOKDBLSTWRBJSL-UHFFFAOYSA-N 1 3 334.424 0.651 20 0 ECADHO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000979305990 747575292 /nfs/dbraw/zinc/57/52/92/747575292.db2.gz BKNQPHXNOGVTAK-PBHICJAKSA-N 1 3 349.479 0.610 20 0 ECADHO Cn1cc(CN2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)cn1 ZINC001088172175 747680378 /nfs/dbraw/zinc/68/03/78/747680378.db2.gz YYSKYMLGNREYNH-SJORKVTESA-N 1 3 343.475 0.796 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)C[C@H]2CCc3ncnn32)CC1 ZINC000985332267 747716952 /nfs/dbraw/zinc/71/69/52/747716952.db2.gz KYFLVIHVCRSLQS-HZPDHXFCSA-N 1 3 346.479 0.782 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)C[C@H]2CCc3ncnn32)CC1 ZINC000985332267 747716954 /nfs/dbraw/zinc/71/69/54/747716954.db2.gz KYFLVIHVCRSLQS-HZPDHXFCSA-N 1 3 346.479 0.782 20 0 ECADHO Cc1nn(C)cc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088200064 747725761 /nfs/dbraw/zinc/72/57/61/747725761.db2.gz ODXSYEMSFGLUAE-NUJGCVRESA-N 1 3 345.491 0.961 20 0 ECADHO Cc1nn(C)cc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088200064 747725766 /nfs/dbraw/zinc/72/57/66/747725766.db2.gz ODXSYEMSFGLUAE-NUJGCVRESA-N 1 3 345.491 0.961 20 0 ECADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2CCN(CCO)CC2)CC1 ZINC001002846043 747871934 /nfs/dbraw/zinc/87/19/34/747871934.db2.gz ZKPKNQYNJXUDQC-SJORKVTESA-N 1 3 339.480 0.306 20 0 ECADHO CN(CC(=O)N1CCC([N@H+](C)[C@@H]2CCN(C)C2=O)CC1)C1CCC1 ZINC000985468489 748194451 /nfs/dbraw/zinc/19/44/51/748194451.db2.gz VMEKBPNGXZKTIR-MRXNPFEDSA-N 1 3 336.480 0.624 20 0 ECADHO CN(CC(=O)N1CCC([N@@H+](C)[C@@H]2CCN(C)C2=O)CC1)C1CCC1 ZINC000985468489 748194452 /nfs/dbraw/zinc/19/44/52/748194452.db2.gz VMEKBPNGXZKTIR-MRXNPFEDSA-N 1 3 336.480 0.624 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001003142722 748226286 /nfs/dbraw/zinc/22/62/86/748226286.db2.gz CQGVJNHSSHQHLO-IAGOWNOFSA-N 1 3 346.479 0.876 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001003142722 748226293 /nfs/dbraw/zinc/22/62/93/748226293.db2.gz CQGVJNHSSHQHLO-IAGOWNOFSA-N 1 3 346.479 0.876 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001003517948 748635634 /nfs/dbraw/zinc/63/56/34/748635634.db2.gz LHHQPSDBMSZEIZ-HNNXBMFYSA-N 1 3 348.447 0.814 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985645718 748786471 /nfs/dbraw/zinc/78/64/71/748786471.db2.gz CRWWIAYPSWZPLN-HNNXBMFYSA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985645718 748786475 /nfs/dbraw/zinc/78/64/75/748786475.db2.gz CRWWIAYPSWZPLN-HNNXBMFYSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1 ZINC000985652719 748807901 /nfs/dbraw/zinc/80/79/01/748807901.db2.gz HKVJPQXJQFAONL-HOCLYGCPSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1 ZINC000985652719 748807906 /nfs/dbraw/zinc/80/79/06/748807906.db2.gz HKVJPQXJQFAONL-HOCLYGCPSA-N 1 3 336.480 0.339 20 0 ECADHO C[N@H+](CCN1CCCC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675859 748851208 /nfs/dbraw/zinc/85/12/08/748851208.db2.gz XFHBFEDRXLSJIY-UHFFFAOYSA-N 1 3 333.436 0.497 20 0 ECADHO C[N@@H+](CCN1CCCC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675859 748851214 /nfs/dbraw/zinc/85/12/14/748851214.db2.gz XFHBFEDRXLSJIY-UHFFFAOYSA-N 1 3 333.436 0.497 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112197475 749057951 /nfs/dbraw/zinc/05/79/51/749057951.db2.gz UENQHVXFLSWVIA-VXGBXAGGSA-N 1 3 325.375 0.690 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001003968114 749091116 /nfs/dbraw/zinc/09/11/16/749091116.db2.gz QZFORDJIEISNFB-NVXWUHKLSA-N 1 3 348.495 0.979 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000980220960 749200898 /nfs/dbraw/zinc/20/08/98/749200898.db2.gz OPOIAZVWNWUDHX-NFOMZHRRSA-N 1 3 347.463 0.756 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000980220960 749200900 /nfs/dbraw/zinc/20/09/00/749200900.db2.gz OPOIAZVWNWUDHX-NFOMZHRRSA-N 1 3 347.463 0.756 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001029876057 749286152 /nfs/dbraw/zinc/28/61/52/749286152.db2.gz RPIHQGBJGMEIOF-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001029876057 749286154 /nfs/dbraw/zinc/28/61/54/749286154.db2.gz RPIHQGBJGMEIOF-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904401 749539167 /nfs/dbraw/zinc/53/91/67/749539167.db2.gz VDFGNEMNWANUJH-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904401 749539170 /nfs/dbraw/zinc/53/91/70/749539170.db2.gz VDFGNEMNWANUJH-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC(N)=O)CC2)C1 ZINC001004546104 749608038 /nfs/dbraw/zinc/60/80/38/749608038.db2.gz HAILCGVRZBYZPT-GDBMZVCRSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC(N)=O)CC2)C1 ZINC001004546104 749608043 /nfs/dbraw/zinc/60/80/43/749608043.db2.gz HAILCGVRZBYZPT-GDBMZVCRSA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001112531593 749826961 /nfs/dbraw/zinc/82/69/61/749826961.db2.gz HBDCZBJROYHGKO-DFGXFYAUSA-N 1 3 341.496 0.552 20 0 ECADHO C[C@@H]1C[C@@H](CNCc2cn(C)nn2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000980693985 749980798 /nfs/dbraw/zinc/98/07/98/749980798.db2.gz ZBRWUZFGPKKLJY-KGLIPLIRSA-N 1 3 334.468 0.484 20 0 ECADHO CN(CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)[C@H]1CCNC1=O ZINC001029975197 750170236 /nfs/dbraw/zinc/17/02/36/750170236.db2.gz RPCMLAKTHKMWMW-INIZCTEOSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCc2ccnn2C)CC1 ZINC001005185128 750342488 /nfs/dbraw/zinc/34/24/88/750342488.db2.gz QOZPHYPNXZDLHB-KRWDZBQOSA-N 1 3 333.480 0.980 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCCS(C)(=O)=O)CC1 ZINC001167836007 750506999 /nfs/dbraw/zinc/50/69/99/750506999.db2.gz NOEFCWPCRRIGRW-UHFFFAOYSA-N 1 3 347.525 0.639 20 0 ECADHO C[C@@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987275049 750684597 /nfs/dbraw/zinc/68/45/97/750684597.db2.gz BKYVXJHANBPSBX-PBHICJAKSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCN1C(=O)CN1CCCC1 ZINC000987517205 750924410 /nfs/dbraw/zinc/92/44/10/750924410.db2.gz HUNXBOZNTRRPAO-YOEHRIQHSA-N 1 3 344.459 0.960 20 0 ECADHO Cn1ccc(CN2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)cc1=O ZINC001028117015 750988308 /nfs/dbraw/zinc/98/83/08/750988308.db2.gz MMHUXPRUAICDJW-QGZVFWFLSA-N 1 3 346.475 0.808 20 0 ECADHO C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(C(=O)CN2CCCC2)C1 ZINC001006135540 751060474 /nfs/dbraw/zinc/06/04/74/751060474.db2.gz CRPSDHDSMLJWEE-PBHICJAKSA-N 1 3 348.491 0.387 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001007480888 752432381 /nfs/dbraw/zinc/43/23/81/752432381.db2.gz ZBESREKIPZFTAK-DEYYWGMASA-N 1 3 345.447 0.401 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001007480888 752432388 /nfs/dbraw/zinc/43/23/88/752432388.db2.gz ZBESREKIPZFTAK-DEYYWGMASA-N 1 3 345.447 0.401 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001021091143 752531435 /nfs/dbraw/zinc/53/14/35/752531435.db2.gz SJAKVHCFHOCREL-BIQWYFBQSA-N 1 3 337.468 0.121 20 0 ECADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCCN3CC)C2)C1=O ZINC001021096482 752537172 /nfs/dbraw/zinc/53/71/72/752537172.db2.gz USOBDYSIDPIZAW-YHUYYLMFSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000989053632 753189007 /nfs/dbraw/zinc/18/90/07/753189007.db2.gz BRSRQEPMMSUUPZ-IPYPFGDCSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000989053632 753189009 /nfs/dbraw/zinc/18/90/09/753189009.db2.gz BRSRQEPMMSUUPZ-IPYPFGDCSA-N 1 3 333.436 0.400 20 0 ECADHO CC[C@H](C(=O)N1CCOC2(CCC([NH2+]CCCO)CC2)C1)N(C)C ZINC001105474227 753533040 /nfs/dbraw/zinc/53/30/40/753533040.db2.gz BUWWKQQRCPQNNU-UPTPFMHGSA-N 1 3 341.496 0.839 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989289295 753579659 /nfs/dbraw/zinc/57/96/59/753579659.db2.gz RFRVOLDAUFCSGJ-OWCLPIDISA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989289295 753579662 /nfs/dbraw/zinc/57/96/62/753579662.db2.gz RFRVOLDAUFCSGJ-OWCLPIDISA-N 1 3 338.496 0.632 20 0 ECADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051503409 762231260 /nfs/dbraw/zinc/23/12/60/762231260.db2.gz MFOGFQZDHKGRES-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001008363363 753658780 /nfs/dbraw/zinc/65/87/80/753658780.db2.gz HVDVCADSXOQIEP-CQSZACIVSA-N 1 3 345.447 0.401 20 0 ECADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)CC1CC[NH+](C)CC1 ZINC001075942907 753957910 /nfs/dbraw/zinc/95/79/10/753957910.db2.gz VIFZSNDGOCAGFO-GOEBONIOSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000982874709 754052878 /nfs/dbraw/zinc/05/28/78/754052878.db2.gz QCXUGMNDNFMIHL-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000982874709 754052883 /nfs/dbraw/zinc/05/28/83/754052883.db2.gz QCXUGMNDNFMIHL-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CO[C@H](C)CN1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008829801 754169650 /nfs/dbraw/zinc/16/96/50/754169650.db2.gz UAGYBVJWRAITFG-GDBMZVCRSA-N 1 3 337.468 0.674 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989800308 754437214 /nfs/dbraw/zinc/43/72/14/754437214.db2.gz QPUUFTMXUUONNU-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001060033706 755152880 /nfs/dbraw/zinc/15/28/80/755152880.db2.gz QGOYUJUUGTZJFM-NVXWUHKLSA-N 1 3 340.512 0.879 20 0 ECADHO CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901452 755438409 /nfs/dbraw/zinc/43/84/09/755438409.db2.gz CTSPPJUUWSAUTP-GOEBONIOSA-N 1 3 338.496 0.809 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000983370278 755440121 /nfs/dbraw/zinc/44/01/21/755440121.db2.gz QMXOZZSYXSXIJC-VNQPRFMTSA-N 1 3 347.463 0.647 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000983370278 755440125 /nfs/dbraw/zinc/44/01/25/755440125.db2.gz QMXOZZSYXSXIJC-VNQPRFMTSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N[C@H]3CCN(C)C3=O)C2)CC[N@@H+]1C ZINC001030020709 755637177 /nfs/dbraw/zinc/63/71/77/755637177.db2.gz HHQDNXCBBHAJIB-VGWMRTNUSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N[C@H]3CCN(C)C3=O)C2)CC[N@H+]1C ZINC001030020709 755637179 /nfs/dbraw/zinc/63/71/79/755637179.db2.gz 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CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001076587763 756692194 /nfs/dbraw/zinc/69/21/94/756692194.db2.gz CNTRBYBXZJUEJR-RRFJBIMHSA-N 1 3 326.485 0.535 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001076587763 756692197 /nfs/dbraw/zinc/69/21/97/756692197.db2.gz CNTRBYBXZJUEJR-RRFJBIMHSA-N 1 3 326.485 0.535 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001048873072 757248037 /nfs/dbraw/zinc/24/80/37/757248037.db2.gz MVTCBMGDQYWBTE-JONQDZQNSA-N 1 3 336.480 0.386 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001048873072 757248039 /nfs/dbraw/zinc/24/80/39/757248039.db2.gz MVTCBMGDQYWBTE-JONQDZQNSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996302844 757314933 /nfs/dbraw/zinc/31/49/33/757314933.db2.gz ZVLGYSFCAUUTTM-SJCJKPOMSA-N 1 3 342.459 0.511 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996302844 757314949 /nfs/dbraw/zinc/31/49/49/757314949.db2.gz ZVLGYSFCAUUTTM-SJCJKPOMSA-N 1 3 342.459 0.511 20 0 ECADHO CC[C@@H]([NH2+][C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C)C(N)=O ZINC000996310796 757337539 /nfs/dbraw/zinc/33/75/39/757337539.db2.gz PTMFLXUWTGTREF-KGLIPLIRSA-N 1 3 338.496 0.809 20 0 ECADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944321 757480134 /nfs/dbraw/zinc/48/01/34/757480134.db2.gz SSVZKNKZVGQOHX-ZXAVKRETSA-N 1 3 349.475 0.275 20 0 ECADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944321 757480144 /nfs/dbraw/zinc/48/01/44/757480144.db2.gz SSVZKNKZVGQOHX-ZXAVKRETSA-N 1 3 349.475 0.275 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001076924249 757612053 /nfs/dbraw/zinc/61/20/53/757612053.db2.gz GPYJAZBUEUEFDA-HOCLYGCPSA-N 1 3 328.501 0.924 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C 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338.496 0.966 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CCO[C@H](CNCc2ccns2)C1)C1CC1 ZINC001051654678 762603737 /nfs/dbraw/zinc/60/37/37/762603737.db2.gz QUGATQQZLVKTBG-HIFRSBDPSA-N 1 3 338.477 0.800 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001011648365 758208945 /nfs/dbraw/zinc/20/89/45/758208945.db2.gz WALYVRXKNYIUPG-HZPDHXFCSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001011648365 758208954 /nfs/dbraw/zinc/20/89/54/758208954.db2.gz WALYVRXKNYIUPG-HZPDHXFCSA-N 1 3 336.480 0.341 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022071450 758235509 /nfs/dbraw/zinc/23/55/09/758235509.db2.gz QJCMRYIBHMYCJQ-LZWOXQAQSA-N 1 3 334.468 0.908 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022071450 758235514 /nfs/dbraw/zinc/23/55/14/758235514.db2.gz QJCMRYIBHMYCJQ-LZWOXQAQSA-N 1 3 334.468 0.908 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001022077315 758242070 /nfs/dbraw/zinc/24/20/70/758242070.db2.gz OBWIPEXEVWYZNS-OKILXGFUSA-N 1 3 334.468 0.816 20 0 ECADHO Cc1ncc(CNC2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)o1 ZINC000996618096 758254517 /nfs/dbraw/zinc/25/45/17/758254517.db2.gz CYUHNXNXWOVXSL-NVXWUHKLSA-N 1 3 348.447 0.927 20 0 ECADHO Cc1ncc(CNC2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)o1 ZINC000996618096 758254522 /nfs/dbraw/zinc/25/45/22/758254522.db2.gz CYUHNXNXWOVXSL-NVXWUHKLSA-N 1 3 348.447 0.927 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022118903 758299748 /nfs/dbraw/zinc/29/97/48/758299748.db2.gz AFIOYIVNWLRVQY-FZKCQIBNSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022118903 758299759 /nfs/dbraw/zinc/29/97/59/758299759.db2.gz AFIOYIVNWLRVQY-FZKCQIBNSA-N 1 3 334.420 0.583 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022121200 758307034 /nfs/dbraw/zinc/30/70/34/758307034.db2.gz ZYKWTBSZJGIZFS-IVSAIRAKSA-N 1 3 348.447 0.837 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022121200 758307042 /nfs/dbraw/zinc/30/70/42/758307042.db2.gz ZYKWTBSZJGIZFS-IVSAIRAKSA-N 1 3 348.447 0.837 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC001051661143 762621083 /nfs/dbraw/zinc/62/10/83/762621083.db2.gz NGJLHAQLFUCCKV-DLBZAZTESA-N 1 3 349.479 0.612 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CCO2)cn1 ZINC001051661143 762621085 /nfs/dbraw/zinc/62/10/85/762621085.db2.gz NGJLHAQLFUCCKV-DLBZAZTESA-N 1 3 349.479 0.612 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049232740 758394693 /nfs/dbraw/zinc/39/46/93/758394693.db2.gz DDSCPTBJXWFENA-QKPAOTATSA-N 1 3 334.464 0.140 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049232740 758394701 /nfs/dbraw/zinc/39/47/01/758394701.db2.gz DDSCPTBJXWFENA-QKPAOTATSA-N 1 3 334.464 0.140 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001077182131 758433819 /nfs/dbraw/zinc/43/38/19/758433819.db2.gz BFBOVBQBRCGNIF-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H]1CCCN1CC(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060319648 762628156 /nfs/dbraw/zinc/62/81/56/762628156.db2.gz BHADBOCTQMQJDJ-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@H](CNCc2ccnn2C)C1)[NH+](C)C ZINC001051666933 762638283 /nfs/dbraw/zinc/63/82/83/762638283.db2.gz IPJJWJNVPJGBTM-CVEARBPZSA-N 1 3 337.468 0.323 20 0 ECADHO Cc1nsc(C)c1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780430 758659399 /nfs/dbraw/zinc/65/93/99/758659399.db2.gz YVEAACLLNRVZPB-ZFWWWQNUSA-N 1 3 338.477 0.829 20 0 ECADHO Cc1nsc(C)c1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780430 758659403 /nfs/dbraw/zinc/65/94/03/758659403.db2.gz YVEAACLLNRVZPB-ZFWWWQNUSA-N 1 3 338.477 0.829 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022451496 758741860 /nfs/dbraw/zinc/74/18/60/758741860.db2.gz BLNHULSSMSBHMP-FMJRBIFOSA-N 1 3 346.431 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022451496 758741866 /nfs/dbraw/zinc/74/18/66/758741866.db2.gz BLNHULSSMSBHMP-FMJRBIFOSA-N 1 3 346.431 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022451497 758741909 /nfs/dbraw/zinc/74/19/09/758741909.db2.gz BLNHULSSMSBHMP-LYEIEPFESA-N 1 3 346.431 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022451497 758741913 /nfs/dbraw/zinc/74/19/13/758741913.db2.gz BLNHULSSMSBHMP-LYEIEPFESA-N 1 3 346.431 0.583 20 0 ECADHO COCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049486863 758796418 /nfs/dbraw/zinc/79/64/18/758796418.db2.gz RKLMHDRBBXMCDR-DLBZAZTESA-N 1 3 349.479 0.770 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022493629 758798230 /nfs/dbraw/zinc/79/82/30/758798230.db2.gz UDULLTHOAYCYGQ-IJEWVQPXSA-N 1 3 332.452 0.426 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001022646836 758981769 /nfs/dbraw/zinc/98/17/69/758981769.db2.gz WRBAZVLVPSETBA-GASCZTMLSA-N 1 3 333.436 0.564 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001022712009 759026287 /nfs/dbraw/zinc/02/62/87/759026287.db2.gz IDVQKKPSJHAHOM-XUWVNRHRSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001022712682 759028146 /nfs/dbraw/zinc/02/81/46/759028146.db2.gz XOYZDZGATTVGQH-TUVASFSCSA-N 1 3 343.493 0.142 20 0 ECADHO CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022715836 759030089 /nfs/dbraw/zinc/03/00/89/759030089.db2.gz NMVYVDISSQLKHC-YUELXQCFSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001022716374 759032242 /nfs/dbraw/zinc/03/22/42/759032242.db2.gz VUZZOSANRPFYAY-RRQGHBQHSA-N 1 3 344.459 0.864 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CCN3CCn2cncn2)CC1 ZINC001049689488 759103165 /nfs/dbraw/zinc/10/31/65/759103165.db2.gz ZQCMOOCXMIDYRE-IRXDYDNUSA-N 1 3 346.479 0.685 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCn2cncn2)CC1 ZINC001049689489 759103196 /nfs/dbraw/zinc/10/31/96/759103196.db2.gz ZQCMOOCXMIDYRE-SJORKVTESA-N 1 3 346.479 0.685 20 0 ECADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C)C(N)=O ZINC001107034103 759370374 /nfs/dbraw/zinc/37/03/74/759370374.db2.gz JICLFQZUOBALMI-IIAWOOMASA-N 1 3 346.475 0.920 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1 ZINC001107038977 759489194 /nfs/dbraw/zinc/48/91/94/759489194.db2.gz JHUMVRHLCQASFA-NVXWUHKLSA-N 1 3 348.491 0.910 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)[C@H](C)C1 ZINC001107040872 759497425 /nfs/dbraw/zinc/49/74/25/759497425.db2.gz RBHOCDZXJKFHDE-BZUAXINKSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047971104 759757827 /nfs/dbraw/zinc/75/78/27/759757827.db2.gz BSWPXVPXSGYDBG-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047971104 759757833 /nfs/dbraw/zinc/75/78/33/759757833.db2.gz BSWPXVPXSGYDBG-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001050222833 759970942 /nfs/dbraw/zinc/97/09/42/759970942.db2.gz NBMRAUBLUHYBAJ-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001054298448 767907942 /nfs/dbraw/zinc/90/79/42/767907942.db2.gz XZINKSLOXLHUEY-ILXRZTDVSA-N 1 3 334.468 0.686 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001050368112 760191447 /nfs/dbraw/zinc/19/14/47/760191447.db2.gz SAMXDABGPMGRJR-YHUYYLMFSA-N 1 3 336.480 0.624 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001050385340 760211192 /nfs/dbraw/zinc/21/11/92/760211192.db2.gz AJFGRTSSEUZASN-JYJNAYRXSA-N 1 3 348.495 0.922 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001050385340 760211201 /nfs/dbraw/zinc/21/12/01/760211201.db2.gz AJFGRTSSEUZASN-JYJNAYRXSA-N 1 3 348.495 0.922 20 0 ECADHO Cn1cc(CNC[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001050386716 760214651 /nfs/dbraw/zinc/21/46/51/760214651.db2.gz UOBRYXCPKAKEJO-BZUAXINKSA-N 1 3 348.495 0.922 20 0 ECADHO Cn1cc(CNC[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001050386716 760214654 /nfs/dbraw/zinc/21/46/54/760214654.db2.gz UOBRYXCPKAKEJO-BZUAXINKSA-N 1 3 348.495 0.922 20 0 ECADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNCc1cn(C)nn1 ZINC001048368189 760388149 /nfs/dbraw/zinc/38/81/49/760388149.db2.gz JTHQQNZFMZKABM-ZFWWWQNUSA-N 1 3 334.468 0.341 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCN(C)C1=O)CC2)C1CCC1 ZINC001050546690 760469059 /nfs/dbraw/zinc/46/90/59/760469059.db2.gz RFZFCWGZKMNMGZ-MRXNPFEDSA-N 1 3 348.491 0.626 20 0 ECADHO CC[NH+](CC)CCSCC(=O)N(CCO)C1CCN(C)CC1 ZINC000911939575 760481703 /nfs/dbraw/zinc/48/17/03/760481703.db2.gz XLKXXRYQRVUQMD-UHFFFAOYSA-N 1 3 331.526 0.977 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CN1C(=O)CN1CCCC1 ZINC001012648557 760484545 /nfs/dbraw/zinc/48/45/45/760484545.db2.gz NSDFQNDOOJDRMN-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCn1cncn1)CC2)N(C)C ZINC001050565304 760503333 /nfs/dbraw/zinc/50/33/33/760503333.db2.gz YGOXSLYYHSTNLF-OAHLLOKOSA-N 1 3 334.468 0.543 20 0 ECADHO C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598342 760551190 /nfs/dbraw/zinc/55/11/90/760551190.db2.gz CDCWCZYDOVCWFQ-QCTRZYONSA-N 1 3 349.475 0.155 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050727199 760737929 /nfs/dbraw/zinc/73/79/29/760737929.db2.gz HYEHPBOHZJNHCK-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050727199 760737939 /nfs/dbraw/zinc/73/79/39/760737939.db2.gz HYEHPBOHZJNHCK-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)N2CCC2)C1 ZINC001048587245 760759759 /nfs/dbraw/zinc/75/97/59/760759759.db2.gz HENJFVWUROJPAZ-WCXIOVBPSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)N2CCC2)C1 ZINC001048587245 760759765 /nfs/dbraw/zinc/75/97/65/760759765.db2.gz HENJFVWUROJPAZ-WCXIOVBPSA-N 1 3 348.491 0.530 20 0 ECADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1NCC(N)=O ZINC000995921853 760781102 /nfs/dbraw/zinc/78/11/02/760781102.db2.gz YVFPRRBQNMFFHJ-LSDHHAIUSA-N 1 3 336.480 0.705 20 0 ECADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1NCC(N)=O ZINC000995921853 760781109 /nfs/dbraw/zinc/78/11/09/760781109.db2.gz YVFPRRBQNMFFHJ-LSDHHAIUSA-N 1 3 336.480 0.705 20 0 ECADHO C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083669054 760854580 /nfs/dbraw/zinc/85/45/80/760854580.db2.gz RVMPLMWPTGTKIW-MSOLQXFVSA-N 1 3 331.460 0.976 20 0 ECADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082182 761017529 /nfs/dbraw/zinc/01/75/29/761017529.db2.gz LTSKHSACADAJTF-LSDHHAIUSA-N 1 3 326.485 0.870 20 0 ECADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082182 761017540 /nfs/dbraw/zinc/01/75/40/761017540.db2.gz LTSKHSACADAJTF-LSDHHAIUSA-N 1 3 326.485 0.870 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001017464652 768013758 /nfs/dbraw/zinc/01/37/58/768013758.db2.gz JUKXPMVJGRSZDI-WBVHZDCISA-N 1 3 348.491 0.697 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001017464652 768013766 /nfs/dbraw/zinc/01/37/66/768013766.db2.gz JUKXPMVJGRSZDI-WBVHZDCISA-N 1 3 348.491 0.697 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106246519 768011420 /nfs/dbraw/zinc/01/14/20/768011420.db2.gz MRZMVESEBSYSAN-ZIAGYGMSSA-N 1 3 336.480 0.433 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106254881 768020866 /nfs/dbraw/zinc/02/08/66/768020866.db2.gz ALYNLYKEYHNDFF-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2O)C1 ZINC001083725733 768039743 /nfs/dbraw/zinc/03/97/43/768039743.db2.gz MXLVORLHUSBDMS-FGTMMUONSA-N 1 3 347.459 0.457 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2O)C1 ZINC001083725733 768039744 /nfs/dbraw/zinc/03/97/44/768039744.db2.gz MXLVORLHUSBDMS-FGTMMUONSA-N 1 3 347.459 0.457 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001105944918 762995732 /nfs/dbraw/zinc/99/57/32/762995732.db2.gz DPDXIYOJVINUKO-MCIONIFRSA-N 1 3 349.435 0.391 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CCCN3CCCC3=O)C2)C1 ZINC001046837904 763202642 /nfs/dbraw/zinc/20/26/42/763202642.db2.gz CRERSCUMRFPNLK-MAUKXSAKSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CCCN3CCCC3=O)C2)C1 ZINC001046837904 763202648 /nfs/dbraw/zinc/20/26/48/763202648.db2.gz CRERSCUMRFPNLK-MAUKXSAKSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNCc3cccnc3)C2)C1 ZINC001051901849 763275666 /nfs/dbraw/zinc/27/56/66/763275666.db2.gz POYPFKIFQHJWLH-NVXWUHKLSA-N 1 3 332.448 0.740 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNCc3cccnc3)C2)C1 ZINC001051901849 763275676 /nfs/dbraw/zinc/27/56/76/763275676.db2.gz POYPFKIFQHJWLH-NVXWUHKLSA-N 1 3 332.448 0.740 20 0 ECADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001046891549 763315226 /nfs/dbraw/zinc/31/52/26/763315226.db2.gz JGKJARITOVYIRD-QAPCUYQASA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000940510444 763361472 /nfs/dbraw/zinc/36/14/72/763361472.db2.gz SKLDIWBWKNAYHM-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000940510444 763361482 /nfs/dbraw/zinc/36/14/82/763361482.db2.gz SKLDIWBWKNAYHM-HZPDHXFCSA-N 1 3 336.480 0.626 20 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ZINC001106340076 768165317 /nfs/dbraw/zinc/16/53/17/768165317.db2.gz KSXBWTKTPBPALS-ZIAGYGMSSA-N 1 3 336.484 0.730 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001106339389 768165350 /nfs/dbraw/zinc/16/53/50/768165350.db2.gz JSLZOSGMSCAUJJ-ZIAGYGMSSA-N 1 3 336.484 0.730 20 0 ECADHO O=C(N1CC[C@@H](N2CCN(CC3CC3)CC2)C1)C12CC[NH+](CC1)C2 ZINC001052108219 763890426 /nfs/dbraw/zinc/89/04/26/763890426.db2.gz KYIPCSNDOGVPKY-QGZVFWFLSA-N 1 3 332.492 0.711 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC001054737175 768211212 /nfs/dbraw/zinc/21/12/12/768211212.db2.gz LPXVMWCPSHZDJC-YOEHRIQHSA-N 1 3 333.480 0.883 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000991895256 764459788 /nfs/dbraw/zinc/45/97/88/764459788.db2.gz RSFLWJRDLAOUJD-IAGOWNOFSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001054740683 768216430 /nfs/dbraw/zinc/21/64/30/768216430.db2.gz 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CN1CCC[C@H](N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001052871696 765266402 /nfs/dbraw/zinc/26/64/02/765266402.db2.gz NSMJSFDMKDVUEU-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001053115134 765600543 /nfs/dbraw/zinc/60/05/43/765600543.db2.gz NYBDUGDPLSMFJK-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001053115134 765600546 /nfs/dbraw/zinc/60/05/46/765600546.db2.gz NYBDUGDPLSMFJK-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N(C)C ZINC001127344741 768346772 /nfs/dbraw/zinc/34/67/72/768346772.db2.gz RTYBTZONRSEABD-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N(C)C ZINC001127344741 768346779 /nfs/dbraw/zinc/34/67/79/768346779.db2.gz RTYBTZONRSEABD-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001053442185 766138601 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ZINC001054168752 767765770 /nfs/dbraw/zinc/76/57/70/767765770.db2.gz IRFKZARBIHZOJR-DPCKTDSQSA-N 1 3 349.475 0.156 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054168752 767765774 /nfs/dbraw/zinc/76/57/74/767765774.db2.gz IRFKZARBIHZOJR-DPCKTDSQSA-N 1 3 349.475 0.156 20 0 ECADHO CN(C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCN(C)C1=O ZINC001017250741 767770137 /nfs/dbraw/zinc/77/01/37/767770137.db2.gz IZSGSQNIFXILSI-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356491 768458827 /nfs/dbraw/zinc/45/88/27/768458827.db2.gz DYJZFOSBQPBNRK-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356491 768458830 /nfs/dbraw/zinc/45/88/30/768458830.db2.gz DYJZFOSBQPBNRK-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1)N(C)C ZINC001106673850 768584692 /nfs/dbraw/zinc/58/46/92/768584692.db2.gz 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CC(C)C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000993933386 769851644 /nfs/dbraw/zinc/85/16/44/769851644.db2.gz TUUICXFATSCSAF-HOCLYGCPSA-N 1 3 336.480 0.386 20 0 ECADHO O=C(CN[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)N1CCC1 ZINC001019023573 770591309 /nfs/dbraw/zinc/59/13/09/770591309.db2.gz YGCPPGIVMVBGLT-HNNXBMFYSA-N 1 3 334.464 0.285 20 0 ECADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001019087964 770755597 /nfs/dbraw/zinc/75/55/97/770755597.db2.gz HJFMXRCUMDGUMF-GJZGRUSLSA-N 1 3 334.464 0.426 20 0 ECADHO CN(C)C1(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001078411525 782896201 /nfs/dbraw/zinc/89/62/01/782896201.db2.gz PFPVDQHIZYUKSH-INIZCTEOSA-N 1 3 349.479 0.612 20 0 ECADHO CN(CC(=O)N1CCCO[C@H](C[NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001078411692 782897528 /nfs/dbraw/zinc/89/75/28/782897528.db2.gz RECNQYVEHHTHOP-QGZVFWFLSA-N 1 3 349.479 0.612 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)n1 ZINC001019380694 771227891 /nfs/dbraw/zinc/22/78/91/771227891.db2.gz JNWRREZZMIFZAQ-BBRMVZONSA-N 1 3 334.468 0.570 20 0 ECADHO Cn1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1=O ZINC001019381370 771228867 /nfs/dbraw/zinc/22/88/67/771228867.db2.gz HRWCLYDIRXUWFC-INIZCTEOSA-N 1 3 346.475 0.808 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001056545425 771369857 /nfs/dbraw/zinc/36/98/57/771369857.db2.gz IKFBKBNRJUVTTB-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H](C(N)=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540262 771423052 /nfs/dbraw/zinc/42/30/52/771423052.db2.gz SZGYOJKKZKTWJO-KGLIPLIRSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089557970 771486596 /nfs/dbraw/zinc/48/65/96/771486596.db2.gz DUFMIYJUJGWTHU-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089557970 771486597 /nfs/dbraw/zinc/48/65/97/771486597.db2.gz DUFMIYJUJGWTHU-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO Cn1nccc1CN[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001019574655 771514246 /nfs/dbraw/zinc/51/42/46/771514246.db2.gz MRZYRYJLCPESNM-AWEZNQCLSA-N 1 3 335.452 0.221 20 0 ECADHO CN1CCC[C@@H](N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001019815431 771830412 /nfs/dbraw/zinc/83/04/12/771830412.db2.gz FKYRFLSRXHDBKZ-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1ccncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001020179047 772250010 /nfs/dbraw/zinc/25/00/10/772250010.db2.gz MEYXUNPPTRYJFD-TVFCKZIOSA-N 1 3 344.459 0.990 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001020179041 772250098 /nfs/dbraw/zinc/25/00/98/772250098.db2.gz LZDKJHTTXKWPKN-QAETUUGQSA-N 1 3 337.464 0.513 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179302 772252061 /nfs/dbraw/zinc/25/20/61/772252061.db2.gz WEXSSFOXPGEFBZ-KQTLUZQSSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020179302 772252064 /nfs/dbraw/zinc/25/20/64/772252064.db2.gz WEXSSFOXPGEFBZ-KQTLUZQSSA-N 1 3 334.420 0.583 20 0 ECADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001078473199 783020504 /nfs/dbraw/zinc/02/05/04/783020504.db2.gz SPIKWPGFCVYAAT-CABCVRRESA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751126 774578217 /nfs/dbraw/zinc/57/82/17/774578217.db2.gz QPFZSAGBFOBWGH-ZIAGYGMSSA-N 1 3 333.436 0.544 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751395 774578665 /nfs/dbraw/zinc/57/86/65/774578665.db2.gz SEJYSVHVDGIFLA-CABCVRRESA-N 1 3 347.463 0.934 20 0 ECADHO CCn1nncc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044857605 774681008 /nfs/dbraw/zinc/68/10/08/774681008.db2.gz LRIVUBSPHBJKTE-CABCVRRESA-N 1 3 334.468 0.863 20 0 ECADHO CCn1nncc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044857606 774681036 /nfs/dbraw/zinc/68/10/36/774681036.db2.gz LRIVUBSPHBJKTE-GJZGRUSLSA-N 1 3 334.468 0.863 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)C1=O ZINC001045069071 774929039 /nfs/dbraw/zinc/92/90/39/774929039.db2.gz SUGDYIPPBQUXFQ-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001045227509 775178728 /nfs/dbraw/zinc/17/87/28/775178728.db2.gz BEICURSCLPQNFT-HNNXBMFYSA-N 1 3 334.468 0.628 20 0 ECADHO CC1(NC(=O)C23CC[NH+](CC2)C3)CCN(CCn2cncn2)CC1 ZINC001045622445 775908631 /nfs/dbraw/zinc/90/86/31/775908631.db2.gz CEBLXTOJJYUPGX-UHFFFAOYSA-N 1 3 332.452 0.345 20 0 ECADHO Cc1nc(C)n(CCN2CCC(C)(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001045639235 775946337 /nfs/dbraw/zinc/94/63/37/775946337.db2.gz DMLOMMZLZMJCGH-INIZCTEOSA-N 1 3 348.495 0.817 20 0 ECADHO Cc1nc(C)n(CCN2CCC(C)(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001045639235 775946350 /nfs/dbraw/zinc/94/63/50/775946350.db2.gz DMLOMMZLZMJCGH-INIZCTEOSA-N 1 3 348.495 0.817 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001079945831 777127503 /nfs/dbraw/zinc/12/75/03/777127503.db2.gz XDYRUEFEWVHLOP-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1)N(C)C ZINC001080018454 777240112 /nfs/dbraw/zinc/24/01/12/777240112.db2.gz WGWJKQYJHWVVCP-CVEARBPZSA-N 1 3 338.496 0.726 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001080555023 778013903 /nfs/dbraw/zinc/01/39/03/778013903.db2.gz KJRNCQDPGFVXMG-GOEBONIOSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001080555023 778013909 /nfs/dbraw/zinc/01/39/09/778013909.db2.gz KJRNCQDPGFVXMG-GOEBONIOSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)CN1CCC[C@H]1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080558453 778028708 /nfs/dbraw/zinc/02/87/08/778028708.db2.gz UGWCQQNTCGSDTI-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)CN1CCC[C@H]1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080558453 778028720 /nfs/dbraw/zinc/02/87/20/778028720.db2.gz UGWCQQNTCGSDTI-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001080558165 778029498 /nfs/dbraw/zinc/02/94/98/778029498.db2.gz OBMKMNVMYKRADU-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001080558165 778029504 /nfs/dbraw/zinc/02/95/04/778029504.db2.gz OBMKMNVMYKRADU-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001079066636 780740371 /nfs/dbraw/zinc/74/03/71/780740371.db2.gz POSFNRODZZXODR-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079263477 780936736 /nfs/dbraw/zinc/93/67/36/780936736.db2.gz WLZLMBMMSBRQQE-JKSUJKDBSA-N 1 3 348.447 0.274 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001077778545 781680518 /nfs/dbraw/zinc/68/05/18/781680518.db2.gz PMKQSZILGLYMRM-BRWVUGGUSA-N 1 3 339.480 0.449 20 0 ECADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040713708 783315546 /nfs/dbraw/zinc/31/55/46/783315546.db2.gz XXADKZDRVSXWJM-HZPDHXFCSA-N 1 3 337.464 0.156 20 0 ECADHO CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1NCc1cnn(C)n1 ZINC001037959750 783737205 /nfs/dbraw/zinc/73/72/05/783737205.db2.gz MBZQTGUPMHVMRC-GOEBONIOSA-N 1 3 346.479 0.628 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCN2CC[C@H]2CCOC2)n1 ZINC001038256592 784070792 /nfs/dbraw/zinc/07/07/92/784070792.db2.gz DCPRGOKDGQYWOG-HOTGVXAUSA-N 1 3 349.479 0.675 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001071013577 784412800 /nfs/dbraw/zinc/41/28/00/784412800.db2.gz HUBPQMMGYMVUAJ-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001071013577 784412808 /nfs/dbraw/zinc/41/28/08/784412808.db2.gz HUBPQMMGYMVUAJ-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cncn1C ZINC001070695098 784563219 /nfs/dbraw/zinc/56/32/19/784563219.db2.gz OPMUKOYSKARTSK-HUUCEWRRSA-N 1 3 330.436 0.926 20 0 ECADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001071259186 784869122 /nfs/dbraw/zinc/86/91/22/784869122.db2.gz ARYFUUVLUZODHL-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001071343998 784984746 /nfs/dbraw/zinc/98/47/46/784984746.db2.gz ORDYWGJHQLKPHS-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001071343998 784984748 /nfs/dbraw/zinc/98/47/48/784984748.db2.gz ORDYWGJHQLKPHS-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001071346726 784988470 /nfs/dbraw/zinc/98/84/70/784988470.db2.gz ZQASYMCQDUUZQT-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001071346726 784988474 /nfs/dbraw/zinc/98/84/74/784988474.db2.gz ZQASYMCQDUUZQT-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CN1CCn1cccn1 ZINC001071996133 785497247 /nfs/dbraw/zinc/49/72/47/785497247.db2.gz PMQAVCFQUBHNTO-HZPDHXFCSA-N 1 3 331.464 0.948 20 0 ECADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001072299888 786008151 /nfs/dbraw/zinc/00/81/51/786008151.db2.gz HDUXYVIINCZKAD-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605163 786758716 /nfs/dbraw/zinc/75/87/16/786758716.db2.gz CLFSDUZKLGAURU-CVEARBPZSA-N 1 3 325.453 0.182 20 0 ECADHO O=C(NC[C@H]1CN(CCCO)CCCO1)C12CCC[NH+]1CCC2 ZINC001073677331 786947057 /nfs/dbraw/zinc/94/70/57/786947057.db2.gz DKACOFSWPGWLMI-HNNXBMFYSA-N 1 3 325.453 0.204 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073740326 787092578 /nfs/dbraw/zinc/09/25/78/787092578.db2.gz DMTQMYGJEGWSNI-IRXDYDNUSA-N 1 3 341.496 0.698 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073740326 787092586 /nfs/dbraw/zinc/09/25/86/787092586.db2.gz DMTQMYGJEGWSNI-IRXDYDNUSA-N 1 3 341.496 0.698 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001072622511 788452982 /nfs/dbraw/zinc/45/29/82/788452982.db2.gz RFBOZDQKXKHIQI-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001072623897 788455869 /nfs/dbraw/zinc/45/58/69/788455869.db2.gz FZBMKHCVLBYFOQ-WFASDCNBSA-N 1 3 335.452 0.566 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001072624454 788456244 /nfs/dbraw/zinc/45/62/44/788456244.db2.gz OJJCOGITNGMCRT-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCc3cnn(C)c3)[C@@H]2C)C1 ZINC001074878149 788477168 /nfs/dbraw/zinc/47/71/68/788477168.db2.gz CMIUQASLSMOCIN-VYDXJSESSA-N 1 3 333.480 0.883 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001072741800 788688925 /nfs/dbraw/zinc/68/89/25/788688925.db2.gz JAODHOJAEVGOGS-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001072741800 788688931 /nfs/dbraw/zinc/68/89/31/788688931.db2.gz JAODHOJAEVGOGS-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N1CC[C@H](N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)C1=O ZINC001075042127 788786583 /nfs/dbraw/zinc/78/65/83/788786583.db2.gz SUTPRRXJUWHVHY-JYJNAYRXSA-N 1 3 348.491 0.671 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)c(C)n1 ZINC001075107350 788915801 /nfs/dbraw/zinc/91/58/01/788915801.db2.gz YUZRPNVTLLJUMD-DZKIICNBSA-N 1 3 347.463 0.824 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)c(C)n1 ZINC001075107350 788915809 /nfs/dbraw/zinc/91/58/09/788915809.db2.gz YUZRPNVTLLJUMD-DZKIICNBSA-N 1 3 347.463 0.824 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](C[C@H](O)Cn1cccn1)C2)N(C)C ZINC001072851121 788960076 /nfs/dbraw/zinc/96/00/76/788960076.db2.gz KVGWBCMXJVEPJS-JKSUJKDBSA-N 1 3 349.479 0.119 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)Cn1cccn1)C2)N(C)C ZINC001072851121 788960085 /nfs/dbraw/zinc/96/00/85/788960085.db2.gz KVGWBCMXJVEPJS-JKSUJKDBSA-N 1 3 349.479 0.119 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001075168097 789013786 /nfs/dbraw/zinc/01/37/86/789013786.db2.gz UMBOPNPORJJLCE-ATNYBXOESA-N 1 3 338.496 0.632 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)C4CC[NH+](C)CC4)C3)C2)C1=O ZINC001072941454 789144842 /nfs/dbraw/zinc/14/48/42/789144842.db2.gz QNRKWINSYLZUSZ-MRXNPFEDSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001075291165 789175831 /nfs/dbraw/zinc/17/58/31/789175831.db2.gz ZDOACTZCZADNNI-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCN1CCCC1=O)C2 ZINC001072981722 789212555 /nfs/dbraw/zinc/21/25/55/789212555.db2.gz PGZBRKBALIEZTJ-HOTGVXAUSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCN1CCCC1=O)C2 ZINC001072981722 789212558 /nfs/dbraw/zinc/21/25/58/789212558.db2.gz PGZBRKBALIEZTJ-HOTGVXAUSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001075334651 789227458 /nfs/dbraw/zinc/22/74/58/789227458.db2.gz BDGWJRQFPVIFEB-UONOGXRCSA-N 1 3 330.436 0.960 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2(C)CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001073239467 789646313 /nfs/dbraw/zinc/64/63/13/789646313.db2.gz KCLIDIRVUXDAHG-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001073259720 789667364 /nfs/dbraw/zinc/66/73/64/789667364.db2.gz PSHVJYHAVFZOQK-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425874 789823481 /nfs/dbraw/zinc/82/34/81/789823481.db2.gz KKXNTDXJDOYPHC-LSDHHAIUSA-N 1 3 334.464 0.093 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073425874 789823483 /nfs/dbraw/zinc/82/34/83/789823483.db2.gz KKXNTDXJDOYPHC-LSDHHAIUSA-N 1 3 334.464 0.093 20 0 ECADHO CCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001069646822 789947618 /nfs/dbraw/zinc/94/76/18/789947618.db2.gz VRLAFNVBFXEGIK-CQSZACIVSA-N 1 3 347.463 0.791 20 0 ECADHO CCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001069646822 789947622 /nfs/dbraw/zinc/94/76/22/789947622.db2.gz VRLAFNVBFXEGIK-CQSZACIVSA-N 1 3 347.463 0.791 20 0 ECADHO C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001069785130 790031885 /nfs/dbraw/zinc/03/18/85/790031885.db2.gz RTEBYBLVGDMOGC-SFHVURJKSA-N 1 3 347.463 0.745 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1CCCCN1C)C(=O)CC[NH+](C)C ZINC001067736766 792203030 /nfs/dbraw/zinc/20/30/30/792203030.db2.gz GGBREXZTYYLRIG-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001067834660 792344153 /nfs/dbraw/zinc/34/41/53/792344153.db2.gz PFCDPCWZZUEPJC-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)CCC[NH+](C)C ZINC001067009815 792569644 /nfs/dbraw/zinc/56/96/44/792569644.db2.gz BQWZMDOLVCNBLN-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC2CCCCC2)C1 ZINC001267428822 837399835 /nfs/dbraw/zinc/39/98/35/837399835.db2.gz CYHRWMNDZZDCAK-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC2CCCCC2)C1 ZINC001267428822 837399845 /nfs/dbraw/zinc/39/98/45/837399845.db2.gz CYHRWMNDZZDCAK-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456162 837441612 /nfs/dbraw/zinc/44/16/12/837441612.db2.gz NIJSVGAYFMVHEF-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO CN(CCNCC(=O)N(C)C1CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469627 837483796 /nfs/dbraw/zinc/48/37/96/837483796.db2.gz NNWZQYMYRWNZRL-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCNCC(=O)N(C)C1CCCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267469627 837483799 /nfs/dbraw/zinc/48/37/99/837483799.db2.gz NNWZQYMYRWNZRL-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N(CCCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC1CC1 ZINC001267511060 837600335 /nfs/dbraw/zinc/60/03/35/837600335.db2.gz HOZAYEAGJODMNM-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)C1(C(=O)N(C)CC[NH2+]CC2(CS(C)(=O)=O)CC2)CCC1 ZINC001266724346 836202573 /nfs/dbraw/zinc/20/25/73/836202573.db2.gz MBZPHGBVRCRWEZ-UHFFFAOYSA-N 1 3 345.509 0.344 20 0 ECADHO CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001266835964 836356880 /nfs/dbraw/zinc/35/68/80/836356880.db2.gz BXFBQOBEQMNSQA-KBPBESRZSA-N 1 3 333.498 0.199 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001266879529 836426234 /nfs/dbraw/zinc/42/62/34/836426234.db2.gz BFKWEWJUDHLXMT-CVEARBPZSA-N 1 3 336.484 0.835 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001266879530 836426671 /nfs/dbraw/zinc/42/66/71/836426671.db2.gz BFKWEWJUDHLXMT-HOTGVXAUSA-N 1 3 336.484 0.835 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001266881572 836430382 /nfs/dbraw/zinc/43/03/82/836430382.db2.gz YENLDRFURIFDLB-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001267067027 836709037 /nfs/dbraw/zinc/70/90/37/836709037.db2.gz MRZQLTCMCAKVGV-DOTOQJQBSA-N 1 3 338.496 0.633 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001267067760 836711941 /nfs/dbraw/zinc/71/19/41/836711941.db2.gz AIVIFKHTQZXEIL-UONOGXRCSA-N 1 3 331.407 0.945 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001408593218 837085864 /nfs/dbraw/zinc/08/58/64/837085864.db2.gz BBCIRWBYIPZMEX-GASCZTMLSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CN(C)C(C)C ZINC001408770798 838381216 /nfs/dbraw/zinc/38/12/16/838381216.db2.gz OVPGCERTZLFCSE-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)CN(C)C(C)C ZINC001408770798 838381209 /nfs/dbraw/zinc/38/12/09/838381209.db2.gz OVPGCERTZLFCSE-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)[C@@H]1CCCCN1C ZINC001408800297 838459545 /nfs/dbraw/zinc/45/95/45/838459545.db2.gz TZKWJMFJSTVXTN-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)[C@@H]1CCCCN1C ZINC001408800297 838459550 /nfs/dbraw/zinc/45/95/50/838459550.db2.gz TZKWJMFJSTVXTN-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCOCCO)C1 ZINC001267791020 838570903 /nfs/dbraw/zinc/57/09/03/838570903.db2.gz UWUHDARWOOCFJG-CVEARBPZSA-N 1 3 327.469 0.260 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCOCCO)C1 ZINC001267791020 838570910 /nfs/dbraw/zinc/57/09/10/838570910.db2.gz UWUHDARWOOCFJG-CVEARBPZSA-N 1 3 327.469 0.260 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001267894080 838706402 /nfs/dbraw/zinc/70/64/02/838706402.db2.gz STYOFYTUHRFKJF-AWEZNQCLSA-N 1 3 348.451 0.196 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(CCNCc3ncnn3C)CC2)C1 ZINC001267915130 838785329 /nfs/dbraw/zinc/78/53/29/838785329.db2.gz ZLWQMFQXALGNLZ-HNNXBMFYSA-N 1 3 348.495 0.875 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(CCNCc3ncnn3C)CC2)C1 ZINC001267915130 838785334 /nfs/dbraw/zinc/78/53/34/838785334.db2.gz ZLWQMFQXALGNLZ-HNNXBMFYSA-N 1 3 348.495 0.875 20 0 ECADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H](CC)N(C)C ZINC001408868505 838855714 /nfs/dbraw/zinc/85/57/14/838855714.db2.gz NVSANCDWXMFAOI-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H](CC)N(C)C ZINC001408868505 838855725 /nfs/dbraw/zinc/85/57/25/838855725.db2.gz NVSANCDWXMFAOI-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001408872322 838879200 /nfs/dbraw/zinc/87/92/00/838879200.db2.gz VSZMJADJEGIDEB-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408872322 838879211 /nfs/dbraw/zinc/87/92/11/838879211.db2.gz VSZMJADJEGIDEB-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](CCOCCO)C2)CC1)N(C)C ZINC001267974046 838906304 /nfs/dbraw/zinc/90/63/04/838906304.db2.gz KRLKSMQOOSIAFU-INIZCTEOSA-N 1 3 341.496 0.650 20 0 ECADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CCOCCO)C2)CC1)N(C)C ZINC001267974046 838906311 /nfs/dbraw/zinc/90/63/11/838906311.db2.gz KRLKSMQOOSIAFU-INIZCTEOSA-N 1 3 341.496 0.650 20 0 ECADHO C[C@@H](CNCCS(C)(=O)=O)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268069546 839257271 /nfs/dbraw/zinc/25/72/71/839257271.db2.gz YMANTXBRPYBMCK-KBPBESRZSA-N 1 3 333.498 0.342 20 0 ECADHO C[C@@H](CNCCS(C)(=O)=O)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268069546 839257286 /nfs/dbraw/zinc/25/72/86/839257286.db2.gz YMANTXBRPYBMCK-KBPBESRZSA-N 1 3 333.498 0.342 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000418877167 282130947 /nfs/dbraw/zinc/13/09/47/282130947.db2.gz NWQFHJRAMCCASO-INIZCTEOSA-N 1 3 348.491 0.719 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)Cc1ccccc1 ZINC000418856076 282169286 /nfs/dbraw/zinc/16/92/86/282169286.db2.gz WIFVLADIXNIQDM-MRXNPFEDSA-N 1 3 332.448 0.097 20 0 ECADHO CN(C)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000416830383 282175913 /nfs/dbraw/zinc/17/59/13/282175913.db2.gz GVAFJFIVJRNVER-IAGOWNOFSA-N 1 3 334.464 0.837 20 0 ECADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000416830385 282175919 /nfs/dbraw/zinc/17/59/19/282175919.db2.gz GVAFJFIVJRNVER-SJORKVTESA-N 1 3 334.464 0.837 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000410463474 282182855 /nfs/dbraw/zinc/18/28/55/282182855.db2.gz BHUCSDWYQFNGTH-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1(C)C ZINC000442610331 282183913 /nfs/dbraw/zinc/18/39/13/282183913.db2.gz NYUXUQMNLFAIDR-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)[C@@H]2C1 ZINC000425380630 210047021 /nfs/dbraw/zinc/04/70/21/210047021.db2.gz FEINIMJFKASGEB-LTIDMASMSA-N 1 3 348.491 0.482 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)[C@@H]2C1 ZINC000425380630 210047023 /nfs/dbraw/zinc/04/70/23/210047023.db2.gz FEINIMJFKASGEB-LTIDMASMSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419678175 295890926 /nfs/dbraw/zinc/89/09/26/295890926.db2.gz OKDCXHJGCJTGEV-HNNXBMFYSA-N 1 3 338.496 0.860 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C[C@@H]21 ZINC000410489573 283079605 /nfs/dbraw/zinc/07/96/05/283079605.db2.gz AFAGNCLROMEXSA-OAGGEKHMSA-N 1 3 334.464 0.236 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)C[C@@H]21 ZINC000410777203 283079892 /nfs/dbraw/zinc/07/98/92/283079892.db2.gz BIEZWNYGIQVRPG-FZKCQIBNSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)C[C@@H]21 ZINC000410777203 283079895 /nfs/dbraw/zinc/07/98/95/283079895.db2.gz BIEZWNYGIQVRPG-FZKCQIBNSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C[C@@H]21 ZINC000410489579 283080097 /nfs/dbraw/zinc/08/00/97/283080097.db2.gz AFAGNCLROMEXSA-PMPSAXMXSA-N 1 3 334.464 0.236 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000355274850 299229307 /nfs/dbraw/zinc/22/93/07/299229307.db2.gz DWUYXHQTXNXFMU-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419402338 291195991 /nfs/dbraw/zinc/19/59/91/291195991.db2.gz CHBIXSXESTUJOL-MCIONIFRSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419402338 291195994 /nfs/dbraw/zinc/19/59/94/291195994.db2.gz CHBIXSXESTUJOL-MCIONIFRSA-N 1 3 340.468 0.064 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420458397 209371339 /nfs/dbraw/zinc/37/13/39/209371339.db2.gz PPWGZVGANMSDRC-UONOGXRCSA-N 1 3 343.497 0.467 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000420459604 209371202 /nfs/dbraw/zinc/37/12/02/209371202.db2.gz DPACVEXDOOILTL-UHFFFAOYSA-N 1 3 329.470 0.172 20 0 ECADHO CO[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H](C[NH3+])C1 ZINC000420316808 209351943 /nfs/dbraw/zinc/35/19/43/209351943.db2.gz YNSCMWILIAYDPV-KURKYZTESA-N 1 3 348.491 0.844 20 0 ECADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000420143306 209320077 /nfs/dbraw/zinc/32/00/77/209320077.db2.gz WYOWCADWSCUTRY-UHFFFAOYSA-N 1 3 334.464 0.499 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420038011 209286036 /nfs/dbraw/zinc/28/60/36/209286036.db2.gz MPFUDKSDYKFVOW-MCIONIFRSA-N 1 3 340.468 0.064 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420038011 209286039 /nfs/dbraw/zinc/28/60/39/209286039.db2.gz MPFUDKSDYKFVOW-MCIONIFRSA-N 1 3 340.468 0.064 20 0 ECADHO CN(C)CCN(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000355967183 299327442 /nfs/dbraw/zinc/32/74/42/299327442.db2.gz GLKRHUBFSDFGKP-UHFFFAOYSA-N 1 3 325.501 0.748 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419972169 209266039 /nfs/dbraw/zinc/26/60/39/209266039.db2.gz YFMUCAPHGVZKDF-MRXNPFEDSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000419946680 209257055 /nfs/dbraw/zinc/25/70/55/209257055.db2.gz VBUNVHUHGBHJLV-CYBMUJFWSA-N 1 3 338.427 0.427 20 0 ECADHO O=C(NCC1C[NH2+]C1)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419943200 209255843 /nfs/dbraw/zinc/25/58/43/209255843.db2.gz IBNZBCGXBZKGAA-UHFFFAOYSA-N 1 3 336.480 0.437 20 0 ECADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419908739 209245404 /nfs/dbraw/zinc/24/54/04/209245404.db2.gz FGMOVHGRBVUZAB-HZPDHXFCSA-N 1 3 336.480 0.579 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419877875 209235482 /nfs/dbraw/zinc/23/54/82/209235482.db2.gz QBMPIIZQEHTJDO-GJZGRUSLSA-N 1 3 326.485 0.953 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000419853382 209226291 /nfs/dbraw/zinc/22/62/91/209226291.db2.gz SDTZODDKOSUTOK-UHFFFAOYSA-N 1 3 338.427 0.442 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419837526 209218790 /nfs/dbraw/zinc/21/87/90/209218790.db2.gz DAZOAOSLXKRRMI-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO CO[C@H]1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@H](CN)C1 ZINC000419794106 209206079 /nfs/dbraw/zinc/20/60/79/209206079.db2.gz DPQSXEACKRQGCE-GJZGRUSLSA-N 1 3 342.484 0.186 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419714232 209184034 /nfs/dbraw/zinc/18/40/34/209184034.db2.gz SXFAREFQYLZLKK-KRWDZBQOSA-N 1 3 348.491 0.897 20 0 ECADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419711443 209182486 /nfs/dbraw/zinc/18/24/86/209182486.db2.gz NNQFCXDAVGDWKT-UHFFFAOYSA-N 1 3 332.448 0.229 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419703614 209179313 /nfs/dbraw/zinc/17/93/13/209179313.db2.gz WQAMXPNEMQZFGW-OWCLPIDISA-N 1 3 338.496 0.857 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000262751264 245159169 /nfs/dbraw/zinc/15/91/69/245159169.db2.gz BYUWZLAJIKMXME-KRWDZBQOSA-N 1 3 334.464 0.911 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419701384 209177036 /nfs/dbraw/zinc/17/70/36/209177036.db2.gz UCCMTFVJNFYVFJ-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419690862 209172506 /nfs/dbraw/zinc/17/25/06/209172506.db2.gz FDKORVLUCIMTMY-BZUAXINKSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000419642480 209154796 /nfs/dbraw/zinc/15/47/96/209154796.db2.gz LXPILZTVQHWOGN-CQSZACIVSA-N 1 3 346.475 0.950 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)N(C)C1CC1 ZINC000419575178 209130361 /nfs/dbraw/zinc/13/03/61/209130361.db2.gz AGKJHDOSHUGOPB-OLZOCXBDSA-N 1 3 332.448 0.921 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000419555749 209125780 /nfs/dbraw/zinc/12/57/80/209125780.db2.gz HUGDHYCDOUJZQN-SGMGOOAPSA-N 1 3 338.477 0.711 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C[NH2+]C)C2)CC1=O ZINC000247329190 205280686 /nfs/dbraw/zinc/28/06/86/205280686.db2.gz UPTKNTFRSALGRD-ARFHVFGLSA-N 1 3 336.480 0.387 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000423264289 284617202 /nfs/dbraw/zinc/61/72/02/284617202.db2.gz PTRNZYXDOCWXBG-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000339580193 297361482 /nfs/dbraw/zinc/36/14/82/297361482.db2.gz HMOUCRWQVKIMBM-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000339580193 297361484 /nfs/dbraw/zinc/36/14/84/297361484.db2.gz HMOUCRWQVKIMBM-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)CN[C@@H](CO)[C@H]1CCCO1)c1ccccc1 ZINC000447901155 211213063 /nfs/dbraw/zinc/21/30/63/211213063.db2.gz BDMOTQKFHDYIML-GVDBMIGSSA-N 1 3 335.448 0.535 20 0 ECADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCOCC[NH+](C)C)c1 ZINC000447596351 211196216 /nfs/dbraw/zinc/19/62/16/211196216.db2.gz PXZIOKIBLFSDHA-CYBMUJFWSA-N 1 3 329.466 0.824 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446617699 211151011 /nfs/dbraw/zinc/15/10/11/211151011.db2.gz OJXAZMNOLPNPBX-UHFFFAOYSA-N 1 3 325.501 0.750 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCC1 ZINC000410994540 208047673 /nfs/dbraw/zinc/04/76/73/208047673.db2.gz DMAWUGDQWUMXAB-QGZVFWFLSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCC1 ZINC000410994540 208047680 /nfs/dbraw/zinc/04/76/80/208047680.db2.gz DMAWUGDQWUMXAB-QGZVFWFLSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@H+](C)CC)C1 ZINC000412121937 208206620 /nfs/dbraw/zinc/20/66/20/208206620.db2.gz OMXIWFZBPIIZQQ-GASCZTMLSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@@H+](C)CC)C1 ZINC000412121937 208206626 /nfs/dbraw/zinc/20/66/26/208206626.db2.gz OMXIWFZBPIIZQQ-GASCZTMLSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@H+](C)CC)C1 ZINC000412121937 208206627 /nfs/dbraw/zinc/20/66/27/208206627.db2.gz OMXIWFZBPIIZQQ-GASCZTMLSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@@H+](C)CC)C1 ZINC000412121937 208206630 /nfs/dbraw/zinc/20/66/30/208206630.db2.gz OMXIWFZBPIIZQQ-GASCZTMLSA-N 1 3 326.485 0.539 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)[C@@H]1C[NH3+] ZINC000423728411 296363737 /nfs/dbraw/zinc/36/37/37/296363737.db2.gz JQNADYFGRKYVOO-OWCLPIDISA-N 1 3 336.480 0.659 20 0 ECADHO O=C(CNC[C@H]1CCCO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430716142 210398774 /nfs/dbraw/zinc/39/87/74/210398774.db2.gz BZLVJGDAXFYBEJ-OAHLLOKOSA-N 1 3 325.453 0.516 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOCCOc2ccccc2)C1 ZINC000430623054 210391229 /nfs/dbraw/zinc/39/12/29/210391229.db2.gz GHYXPZMOPXNSLN-INIZCTEOSA-N 1 3 335.448 0.869 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000430644895 210395131 /nfs/dbraw/zinc/39/51/31/210395131.db2.gz ANUUHJPJKJSCSY-WBVHZDCISA-N 1 3 344.459 0.969 20 0 ECADHO O=C1O[C@@]2(CN1CN1CC[C@@H](N3CC=CC3)C1)C[NH+]1CCC2CC1 ZINC000496009551 255062827 /nfs/dbraw/zinc/06/28/27/255062827.db2.gz IVWNWICKXLBAKT-SJLPKXTDSA-N 1 3 332.448 0.807 20 0 ECADHO CN1CC[C@](O)(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000496126977 255073518 /nfs/dbraw/zinc/07/35/18/255073518.db2.gz VKXVTFNRESSNHF-INIZCTEOSA-N 1 3 341.456 0.130 20 0 ECADHO CN(C[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1)C(=O)OC(C)(C)C ZINC000496171492 255077609 /nfs/dbraw/zinc/07/76/09/255077609.db2.gz RQLSCVKHYNBULO-KGLIPLIRSA-N 1 3 331.457 0.261 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(=O)N(C)C ZINC000173449462 285277554 /nfs/dbraw/zinc/27/75/54/285277554.db2.gz JDBJKHOHWLOJKR-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(=O)N(C)C ZINC000173449462 285277555 /nfs/dbraw/zinc/27/75/55/285277555.db2.gz JDBJKHOHWLOJKR-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419174207 209011925 /nfs/dbraw/zinc/01/19/25/209011925.db2.gz VAPSGBMQOOBABX-MRXNPFEDSA-N 1 3 336.480 0.793 20 0 ECADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419225455 209032522 /nfs/dbraw/zinc/03/25/22/209032522.db2.gz HBINCOHJPHDRLW-JKSUJKDBSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419230273 209034545 /nfs/dbraw/zinc/03/45/45/209034545.db2.gz PPGBRXQWOPMGRM-QSJFSLAZSA-N 1 3 346.475 0.723 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419230273 209034548 /nfs/dbraw/zinc/03/45/48/209034548.db2.gz PPGBRXQWOPMGRM-QSJFSLAZSA-N 1 3 346.475 0.723 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419332215 209060888 /nfs/dbraw/zinc/06/08/88/209060888.db2.gz KHXRPFMZQOSNGC-SJCJKPOMSA-N 1 3 342.443 0.505 20 0 ECADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C(=O)NCC[NH3+] ZINC000419412541 209087082 /nfs/dbraw/zinc/08/70/82/209087082.db2.gz CLXMBJXIPKSOKF-MRXNPFEDSA-N 1 3 346.475 0.651 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000419369688 209071425 /nfs/dbraw/zinc/07/14/25/209071425.db2.gz FQRRIEDXAVKQGO-MRXNPFEDSA-N 1 3 344.459 0.070 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000103210879 296634732 /nfs/dbraw/zinc/63/47/32/296634732.db2.gz UAOWSAWECVFKCS-UHFFFAOYSA-N 1 3 334.420 0.583 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1=O ZINC000358897970 299770809 /nfs/dbraw/zinc/77/08/09/299770809.db2.gz FHWUARGDYBTWFJ-OAHLLOKOSA-N 1 3 336.480 0.389 20 0 ECADHO CS[C@@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@@H]1N(C)C ZINC000416026622 286700903 /nfs/dbraw/zinc/70/09/03/286700903.db2.gz IAWOUNYFFBYTQR-IVZWLZJFSA-N 1 3 328.404 0.953 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000193645024 165058918 /nfs/dbraw/zinc/05/89/18/165058918.db2.gz VBVUXARVGKAQDT-FGTMMUONSA-N 1 3 330.476 0.899 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000193645024 165058921 /nfs/dbraw/zinc/05/89/21/165058921.db2.gz VBVUXARVGKAQDT-FGTMMUONSA-N 1 3 330.476 0.899 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)COC1CCOCC1 ZINC000245684949 165114017 /nfs/dbraw/zinc/11/40/17/165114017.db2.gz UXYDPSGQLFKHFB-QGZVFWFLSA-N 1 3 343.512 0.501 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)COC1CCOCC1 ZINC000245684949 165114018 /nfs/dbraw/zinc/11/40/18/165114018.db2.gz UXYDPSGQLFKHFB-QGZVFWFLSA-N 1 3 343.512 0.501 20 0 ECADHO CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CCN(CCn2cccn2)CC1 ZINC000261665168 165223210 /nfs/dbraw/zinc/22/32/10/165223210.db2.gz FYRVYFDRIAHSLA-CVEARBPZSA-N 1 3 335.452 0.312 20 0 ECADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000262520561 165359445 /nfs/dbraw/zinc/35/94/45/165359445.db2.gz NTZGVXKOQPINDR-FSDCSDTHSA-N 1 3 339.480 0.447 20 0 ECADHO C[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)CN1CCN(C)CC1 ZINC000262763122 165383800 /nfs/dbraw/zinc/38/38/00/165383800.db2.gz LOHBTKILSFKNPO-HOTGVXAUSA-N 1 3 348.495 0.421 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419398893 209080669 /nfs/dbraw/zinc/08/06/69/209080669.db2.gz IMARKFPYWQBRAE-YQQAZPJKSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419398893 209080672 /nfs/dbraw/zinc/08/06/72/209080672.db2.gz IMARKFPYWQBRAE-YQQAZPJKSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401173 209081396 /nfs/dbraw/zinc/08/13/96/209081396.db2.gz OKSPRBLMXIRDKB-LZWOXQAQSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401173 209081400 /nfs/dbraw/zinc/08/14/00/209081400.db2.gz OKSPRBLMXIRDKB-LZWOXQAQSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@H]1CN ZINC000419830457 287325760 /nfs/dbraw/zinc/32/57/60/287325760.db2.gz WFZJPHSZQCFKKK-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000174734612 263150815 /nfs/dbraw/zinc/15/08/15/263150815.db2.gz KRUCLTNUPZHTQY-GJZGRUSLSA-N 1 3 325.501 0.652 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000174734612 263150816 /nfs/dbraw/zinc/15/08/16/263150816.db2.gz KRUCLTNUPZHTQY-GJZGRUSLSA-N 1 3 325.501 0.652 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2)CC1 ZINC000236995371 263172655 /nfs/dbraw/zinc/17/26/55/263172655.db2.gz WKWRFXGMBIWLFA-UHFFFAOYSA-N 1 3 345.491 0.464 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415622322 274305776 /nfs/dbraw/zinc/30/57/76/274305776.db2.gz XQLDODWVJADBMM-CJNGLKHVSA-N 1 3 332.448 0.843 20 0 ECADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433480050 276036995 /nfs/dbraw/zinc/03/69/95/276036995.db2.gz JVUGIIRCGODJNY-KRWDZBQOSA-N 1 3 334.468 0.478 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000418921456 276102227 /nfs/dbraw/zinc/10/22/27/276102227.db2.gz CUFUUFKRIBLRBN-HYVNUMGLSA-N 1 3 346.475 0.786 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419694184 277386860 /nfs/dbraw/zinc/38/68/60/277386860.db2.gz IZQJRDUJWAUIAY-OAGGEKHMSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1C[C@@H](C)C[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000360476495 278205536 /nfs/dbraw/zinc/20/55/36/278205536.db2.gz HCQFZPVMHINPNQ-JGPUMOJJSA-N 1 3 340.512 0.781 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1C[C@@H](C)C[C@@H]1C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000360476495 278205538 /nfs/dbraw/zinc/20/55/38/278205538.db2.gz HCQFZPVMHINPNQ-JGPUMOJJSA-N 1 3 340.512 0.781 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000419973854 279135578 /nfs/dbraw/zinc/13/55/78/279135578.db2.gz HHZYAWBRXMSCED-RRFJBIMHSA-N 1 3 326.485 0.713 20 0 ECADHO CC[C@@]1(C(=O)NCCCN2CCC(C(=O)OC)CC2)CCC[NH2+]1 ZINC000423751358 280633742 /nfs/dbraw/zinc/63/37/42/280633742.db2.gz AZLKDYSCJPTDSP-KRWDZBQOSA-N 1 3 325.453 0.910 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000179315335 289068065 /nfs/dbraw/zinc/06/80/65/289068065.db2.gz ZFWGFQIHKTVWFF-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)CCN1CCC([NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182342430 289153817 /nfs/dbraw/zinc/15/38/17/289153817.db2.gz AGMRQANXCJVYMQ-JKSUJKDBSA-N 1 3 331.526 0.958 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417019378 289562877 /nfs/dbraw/zinc/56/28/77/289562877.db2.gz IRKNWZCIHRTVFQ-HUUCEWRRSA-N 1 3 339.484 0.357 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000423224138 289792882 /nfs/dbraw/zinc/79/28/82/289792882.db2.gz IHXAOYXSUNLOMG-JYJNAYRXSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332626207 297060180 /nfs/dbraw/zinc/06/01/80/297060180.db2.gz DMNQTGLOSKKJMH-JYJNAYRXSA-N 1 3 336.480 0.659 20 0 ECADHO O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000332756219 297070883 /nfs/dbraw/zinc/07/08/83/297070883.db2.gz NBSFFDXEUZARLW-YJBOKZPZSA-N 1 3 334.464 0.376 20 0 ECADHO NC[C@H](NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1)C1CCCC1 ZINC000420059614 295262133 /nfs/dbraw/zinc/26/21/33/295262133.db2.gz GOPGMBWLJYJUDL-INIZCTEOSA-N 1 3 336.480 0.707 20 0 ECADHO COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414730409 295394002 /nfs/dbraw/zinc/39/40/02/295394002.db2.gz GJNBGBNCLQAJAP-WBVHZDCISA-N 1 3 346.475 0.839 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000238100099 295498632 /nfs/dbraw/zinc/49/86/32/295498632.db2.gz HTVLFJCKGBZJID-HNNXBMFYSA-N 1 3 334.464 0.143 20 0 ECADHO Cc1nc2cncc(N3CCN(C[C@H]4CC[NH2+][C@H](C)C4)CC3)n2n1 ZINC000333183275 297116508 /nfs/dbraw/zinc/11/65/08/297116508.db2.gz QEZSOGSHVLXNHR-HIFRSBDPSA-N 1 3 329.452 0.943 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333568926 297142603 /nfs/dbraw/zinc/14/26/03/297142603.db2.gz MCSNCTDWRJHIIJ-OWCLPIDISA-N 1 3 334.468 0.731 20 0 ECADHO [NH3+]C1(CNC(=O)N2CCOC3(CNC3)C2)C2CC3CC(C2)CC1C3 ZINC000333598206 297144102 /nfs/dbraw/zinc/14/41/02/297144102.db2.gz WBJWMYDGBSZLII-UHFFFAOYSA-N 1 3 334.464 0.524 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000338315636 297255731 /nfs/dbraw/zinc/25/57/31/297255731.db2.gz KGEHSHCGZYBSPG-JKSUJKDBSA-N 1 3 347.525 0.701 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)C(N)=O)CC2)CC1 ZINC000338407585 297265774 /nfs/dbraw/zinc/26/57/74/297265774.db2.gz OFCAJNLNDLZKKS-UHFFFAOYSA-N 1 3 339.484 0.356 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCCN(C)CC1 ZINC000338532378 297276513 /nfs/dbraw/zinc/27/65/13/297276513.db2.gz RWHMJHQXSMGMTA-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCCN(C)CC1 ZINC000338532378 297276514 /nfs/dbraw/zinc/27/65/14/297276514.db2.gz RWHMJHQXSMGMTA-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339753986 297379054 /nfs/dbraw/zinc/37/90/54/297379054.db2.gz OUZMFOBZUVGJMJ-INIZCTEOSA-N 1 3 338.496 0.969 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1COCCN1C ZINC000344630846 298047188 /nfs/dbraw/zinc/04/71/88/298047188.db2.gz YLYXOJGRZPKYBY-CVEARBPZSA-N 1 3 326.485 0.192 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1COCCN1C ZINC000344630846 298047189 /nfs/dbraw/zinc/04/71/89/298047189.db2.gz YLYXOJGRZPKYBY-CVEARBPZSA-N 1 3 326.485 0.192 20 0 ECADHO C[C@H]1[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)CCC[N@@H+]1C ZINC000345740458 298189378 /nfs/dbraw/zinc/18/93/78/298189378.db2.gz HILYEAYCNKPUGK-HOTGVXAUSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H]1[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)CCC[N@H+]1C ZINC000345740458 298189381 /nfs/dbraw/zinc/18/93/81/298189381.db2.gz HILYEAYCNKPUGK-HOTGVXAUSA-N 1 3 325.501 0.748 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCCN(C)[C@H]3C)C2)CC1 ZINC000345744519 298189514 /nfs/dbraw/zinc/18/95/14/298189514.db2.gz KORJCJFJVQTLQS-GVDBMIGSSA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[N@H+](C)[C@H]3C)C2)CC1 ZINC000345744519 298189515 /nfs/dbraw/zinc/18/95/15/298189515.db2.gz KORJCJFJVQTLQS-GVDBMIGSSA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)[C@H]3C)C2)CC1 ZINC000345744519 298189516 /nfs/dbraw/zinc/18/95/16/298189516.db2.gz KORJCJFJVQTLQS-GVDBMIGSSA-N 1 3 337.512 0.891 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCCS(=O)(=O)NC)[C@H](C)C1 ZINC000346541397 298290618 /nfs/dbraw/zinc/29/06/18/298290618.db2.gz DVZYOUKFKQEVMY-HUUCEWRRSA-N 1 3 335.514 0.652 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCCS(=O)(=O)NC)[C@H](C)C1 ZINC000346541397 298290619 /nfs/dbraw/zinc/29/06/19/298290619.db2.gz DVZYOUKFKQEVMY-HUUCEWRRSA-N 1 3 335.514 0.652 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)CN2CCOCC2)[C@H](C)C1 ZINC000346541918 298290689 /nfs/dbraw/zinc/29/06/89/298290689.db2.gz MVOHNXLVKXHKSD-SQNIBIBYSA-N 1 3 343.512 0.406 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)CN2CCOCC2)[C@H](C)C1 ZINC000346541918 298290692 /nfs/dbraw/zinc/29/06/92/298290692.db2.gz MVOHNXLVKXHKSD-SQNIBIBYSA-N 1 3 343.512 0.406 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C[NH+]1CCCC1 ZINC000419839959 298679092 /nfs/dbraw/zinc/67/90/92/298679092.db2.gz ZBPKRJKZQYWWMZ-HZSPNIEDSA-N 1 3 340.468 0.064 20 0 ECADHO COCCCN(C)CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000353245094 299026830 /nfs/dbraw/zinc/02/68/30/299026830.db2.gz RZNVBQKUKGJZSR-UHFFFAOYSA-N 1 3 344.500 0.489 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@H]1N(C)C ZINC000459933010 300095790 /nfs/dbraw/zinc/09/57/90/300095790.db2.gz LOLZLADJGIAOQG-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1[nH]nc2c1CNCC2 ZINC000364733352 300383393 /nfs/dbraw/zinc/38/33/93/300383393.db2.gz CXWLVCTZRCQWHJ-QLPKVWCKSA-N 1 3 337.427 0.916 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1[nH]nc2c1CNCC2 ZINC000364733352 300383396 /nfs/dbraw/zinc/38/33/96/300383396.db2.gz CXWLVCTZRCQWHJ-QLPKVWCKSA-N 1 3 337.427 0.916 20 0 ECADHO CC[N@H+](CCNC(=O)NC[C@H](C)CN1CCN(C)CC1)C(C)C ZINC000074055888 436103772 /nfs/dbraw/zinc/10/37/72/436103772.db2.gz KNXOMFHMQUORDW-INIZCTEOSA-N 1 3 327.517 0.899 20 0 ECADHO CC[N@@H+](CCNC(=O)NC[C@H](C)CN1CCN(C)CC1)C(C)C ZINC000074055888 436103776 /nfs/dbraw/zinc/10/37/76/436103776.db2.gz KNXOMFHMQUORDW-INIZCTEOSA-N 1 3 327.517 0.899 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000074200571 436114402 /nfs/dbraw/zinc/11/44/02/436114402.db2.gz HOVVZIOPXOZAIK-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000074200571 436114405 /nfs/dbraw/zinc/11/44/05/436114405.db2.gz HOVVZIOPXOZAIK-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H]([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)N1CCOCC1 ZINC000077822329 436254943 /nfs/dbraw/zinc/25/49/43/436254943.db2.gz IGTHMSGGYXKUCR-JKSUJKDBSA-N 1 3 343.516 0.230 20 0 ECADHO CC(C)C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000081395409 436344860 /nfs/dbraw/zinc/34/48/60/436344860.db2.gz BOIYGTJMWLEXFA-GJZGRUSLSA-N 1 3 326.485 0.489 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1=O ZINC000081465916 436347301 /nfs/dbraw/zinc/34/73/01/436347301.db2.gz HVBYWAHVANWPST-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1=O ZINC000081465916 436347304 /nfs/dbraw/zinc/34/73/04/436347304.db2.gz HVBYWAHVANWPST-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CCO[C@H]1C[C@](N)(C(=O)N2CCC([NH2+]CCOC)CC2)C1(C)C ZINC000514794756 301618116 /nfs/dbraw/zinc/61/81/16/301618116.db2.gz DCBNEPDRMCGZPL-YOEHRIQHSA-N 1 3 327.469 0.746 20 0 ECADHO Cc1nn(C)c2ncc(C[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)cc12 ZINC000105474511 436574894 /nfs/dbraw/zinc/57/48/94/436574894.db2.gz VDMWSZSUEVRSCP-OAHLLOKOSA-N 1 3 344.463 0.954 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000108547929 436619838 /nfs/dbraw/zinc/61/98/38/436619838.db2.gz QHMWYFKXPHCDIH-IAGOWNOFSA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000108547929 436619840 /nfs/dbraw/zinc/61/98/40/436619840.db2.gz QHMWYFKXPHCDIH-IAGOWNOFSA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000114176055 436639571 /nfs/dbraw/zinc/63/95/71/436639571.db2.gz ZQHVBOSZKZTKEH-CABCVRRESA-N 1 3 326.485 0.489 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000536595116 302141683 /nfs/dbraw/zinc/14/16/83/302141683.db2.gz MGJCRVRQVVJHDH-DOTOQJQBSA-N 1 3 342.484 0.459 20 0 ECADHO C[C@H](C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)N1CCN(C)CC1 ZINC000542605955 302200726 /nfs/dbraw/zinc/20/07/26/302200726.db2.gz GZSVQWOOEMXPCQ-OAHLLOKOSA-N 1 3 346.479 0.408 20 0 ECADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000237156682 436725028 /nfs/dbraw/zinc/72/50/28/436725028.db2.gz FLIVGNKORGCYAN-GOSISDBHSA-N 1 3 332.492 0.946 20 0 ECADHO NC1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000122108592 436731767 /nfs/dbraw/zinc/73/17/67/436731767.db2.gz NFFCVQLYAWWRQT-CABCVRRESA-N 1 3 336.480 0.755 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1)C[NH+]1CCN(C)CC1 ZINC000237605218 436739786 /nfs/dbraw/zinc/73/97/86/436739786.db2.gz HRAAVXHUJOLYMQ-MAUKXSAKSA-N 1 3 330.476 0.701 20 0 ECADHO O=C(CN1CCCC[C@H]1[C@H]1CNC(=O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000124919348 436758137 /nfs/dbraw/zinc/75/81/37/436758137.db2.gz OSYVJIACTHEDHD-PBHICJAKSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246747914 436785496 /nfs/dbraw/zinc/78/54/96/436785496.db2.gz ZPHPPCGKCBBMQM-BBWFWOEESA-N 1 3 348.491 0.674 20 0 ECADHO CC(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130592347 436838003 /nfs/dbraw/zinc/83/80/03/436838003.db2.gz UPUXWHRNANCRBM-UHFFFAOYSA-N 1 3 348.447 0.780 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1=O ZINC000261711240 436884618 /nfs/dbraw/zinc/88/46/18/436884618.db2.gz KKXMAOGGDSDGSI-YESZJQIVSA-N 1 3 344.459 0.350 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1=O ZINC000261711238 436885077 /nfs/dbraw/zinc/88/50/77/436885077.db2.gz KKXMAOGGDSDGSI-IXDOHACOSA-N 1 3 344.459 0.350 20 0 ECADHO C[NH+](C)C1(CNC(=O)[C@H](N)C2CCOCC2)Cc2ccccc2C1 ZINC000261829718 436890687 /nfs/dbraw/zinc/89/06/87/436890687.db2.gz PYCJOEYPRUBDJO-QGZVFWFLSA-N 1 3 331.460 0.956 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000262976860 436946505 /nfs/dbraw/zinc/94/65/05/436946505.db2.gz YGQLMACQMMDFIA-ZWKOTPCHSA-N 1 3 348.491 0.845 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263133423 436951632 /nfs/dbraw/zinc/95/16/32/436951632.db2.gz BXEGELWLPDEZEV-QAPCUYQASA-N 1 3 338.496 0.907 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000263280207 436960153 /nfs/dbraw/zinc/96/01/53/436960153.db2.gz ZZAFBVWBHIAAES-CTASWTNQSA-N 1 3 326.485 0.569 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000263280207 436960155 /nfs/dbraw/zinc/96/01/55/436960155.db2.gz ZZAFBVWBHIAAES-CTASWTNQSA-N 1 3 326.485 0.569 20 0 ECADHO C[C@@H](CNC(=O)NCC1CCN(CCO)CC1)C[NH+]1CCCC1 ZINC000171902839 436991075 /nfs/dbraw/zinc/99/10/75/436991075.db2.gz QMOKQFASTGKEEN-HNNXBMFYSA-N 1 3 326.485 0.722 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000173828627 437065997 /nfs/dbraw/zinc/06/59/97/437065997.db2.gz VSSGBYFYCWITTM-HOTGVXAUSA-N 1 3 327.517 0.899 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000331405122 437089777 /nfs/dbraw/zinc/08/97/77/437089777.db2.gz DYSIRASIDNQDIO-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000419425338 303415857 /nfs/dbraw/zinc/41/58/57/303415857.db2.gz PJDFGPGTHUAOPS-IRXDYDNUSA-N 1 3 344.459 0.793 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331695676 437146515 /nfs/dbraw/zinc/14/65/15/437146515.db2.gz ZATQWDASLMBORN-JJXSEGSLSA-N 1 3 336.480 0.515 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175807804 437118395 /nfs/dbraw/zinc/11/83/95/437118395.db2.gz WCVRDTRIPLKDJG-INIZCTEOSA-N 1 3 325.501 0.796 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000331564830 437120873 /nfs/dbraw/zinc/12/08/73/437120873.db2.gz STBBQBQYDWWSKK-XHSDSOJGSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000331564830 437120875 /nfs/dbraw/zinc/12/08/75/437120875.db2.gz STBBQBQYDWWSKK-XHSDSOJGSA-N 1 3 336.480 0.671 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000331582258 437124320 /nfs/dbraw/zinc/12/43/20/437124320.db2.gz LXRLAAQURCQUPH-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000331582258 437124323 /nfs/dbraw/zinc/12/43/23/437124323.db2.gz LXRLAAQURCQUPH-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423147207 303532831 /nfs/dbraw/zinc/53/28/31/303532831.db2.gz CDQNGIZTMHHSAE-XHSDSOJGSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1=CCN(C)CC1 ZINC000332053331 437202353 /nfs/dbraw/zinc/20/23/53/437202353.db2.gz UUXHGVRBAQILTQ-BHYGNILZSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1=CCN(C)CC1 ZINC000332053331 437202356 /nfs/dbraw/zinc/20/23/56/437202356.db2.gz UUXHGVRBAQILTQ-BHYGNILZSA-N 1 3 348.491 0.696 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332653650 437241094 /nfs/dbraw/zinc/24/10/94/437241094.db2.gz KUXXVXYHNLSXQO-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H](O)CN(C)C2CC2)CC1 ZINC000336880432 437304670 /nfs/dbraw/zinc/30/46/70/437304670.db2.gz QDVLRQCXVUEQNR-SCTDSRPQSA-N 1 3 338.540 0.932 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H](O)CN(C)C2CC2)CC1 ZINC000336880432 437304671 /nfs/dbraw/zinc/30/46/71/437304671.db2.gz QDVLRQCXVUEQNR-SCTDSRPQSA-N 1 3 338.540 0.932 20 0 ECADHO C[C@H](CC(N)=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267264327 437313087 /nfs/dbraw/zinc/31/30/87/437313087.db2.gz QUWFZMRCOFXWJX-CZUORRHYSA-N 1 3 332.448 0.737 20 0 ECADHO C[C@H](CC(N)=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267264327 437313090 /nfs/dbraw/zinc/31/30/90/437313090.db2.gz QUWFZMRCOFXWJX-CZUORRHYSA-N 1 3 332.448 0.737 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000333548432 437275845 /nfs/dbraw/zinc/27/58/45/437275845.db2.gz JBWQQOUQXYCFQW-QLFBSQMISA-N 1 3 332.452 0.901 20 0 ECADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000333644146 437280066 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CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000360161488 437541683 /nfs/dbraw/zinc/54/16/83/437541683.db2.gz IFULXJBOWVQMST-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000187979539 437517970 /nfs/dbraw/zinc/51/79/70/437517970.db2.gz YKJIFMAITLYFSQ-ZWKOTPCHSA-N 1 3 346.475 0.427 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339952826 437529237 /nfs/dbraw/zinc/52/92/37/437529237.db2.gz KJZVIVCDAGAPDP-ZBFHGGJFSA-N 1 3 336.480 0.718 20 0 ECADHO CCO[C@H]1C[C@](N)(C(=O)NCC2([NH+](C)C)CCOCC2)C1(C)C ZINC000188202791 437535321 /nfs/dbraw/zinc/53/53/21/437535321.db2.gz PEAFHEXYFBCUGO-GUYCJALGSA-N 1 3 327.469 0.746 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000360171336 437546756 /nfs/dbraw/zinc/54/67/56/437546756.db2.gz NWTFFVLYIIUBRE-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000360171336 437546759 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CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000340790319 437735149 /nfs/dbraw/zinc/73/51/49/437735149.db2.gz CVYQAJOIPFVMNR-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000340801840 437738651 /nfs/dbraw/zinc/73/86/51/437738651.db2.gz RRYUHBIKVZMZRV-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CC[NH+](C)C ZINC000356087617 437745675 /nfs/dbraw/zinc/74/56/75/437745675.db2.gz IQRLMLGCKUQDAE-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO COCCCN(C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000362752521 437753206 /nfs/dbraw/zinc/75/32/06/437753206.db2.gz HTDGFICXSXGWHK-MRXNPFEDSA-N 1 3 327.469 0.714 20 0 ECADHO COCCCN(C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000362752521 437753212 /nfs/dbraw/zinc/75/32/12/437753212.db2.gz HTDGFICXSXGWHK-MRXNPFEDSA-N 1 3 327.469 0.714 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000340919258 437758896 /nfs/dbraw/zinc/75/88/96/437758896.db2.gz QOBAFFOCDDGDOW-QGZVFWFLSA-N 1 3 346.475 0.645 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340919258 437758900 /nfs/dbraw/zinc/75/89/00/437758900.db2.gz QOBAFFOCDDGDOW-QGZVFWFLSA-N 1 3 346.475 0.645 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1COCCO1 ZINC000341025728 437777661 /nfs/dbraw/zinc/77/76/61/437777661.db2.gz VDHQLRPXPURMHO-HOTGVXAUSA-N 1 3 342.484 0.459 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1COCCO1 ZINC000341025728 437777663 /nfs/dbraw/zinc/77/76/63/437777663.db2.gz VDHQLRPXPURMHO-HOTGVXAUSA-N 1 3 342.484 0.459 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415318772 437781242 /nfs/dbraw/zinc/78/12/42/437781242.db2.gz RMJABTUMZFHJEB-AWEZNQCLSA-N 1 3 334.420 0.434 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[NH2+]C)c(C)c2)CC1 ZINC000415353606 437789072 /nfs/dbraw/zinc/78/90/72/437789072.db2.gz APOQLIASYIKKQS-UHFFFAOYSA-N 1 3 347.463 0.411 20 0 ECADHO Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH3+])ccc1OCCN(C)C ZINC000415358675 437789879 /nfs/dbraw/zinc/78/98/79/437789879.db2.gz IYCOJAYPUKYDJN-ZDUSSCGKSA-N 1 3 336.436 0.727 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCN1C ZINC000341203593 437813666 /nfs/dbraw/zinc/81/36/66/437813666.db2.gz OPASFDSYIZIAEQ-LSDHHAIUSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCN1C ZINC000341203593 437813670 /nfs/dbraw/zinc/81/36/70/437813670.db2.gz OPASFDSYIZIAEQ-LSDHHAIUSA-N 1 3 326.485 0.957 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415883039 437878919 /nfs/dbraw/zinc/87/89/19/437878919.db2.gz YYPJOCHLJUXZPZ-UHFFFAOYSA-N 1 3 348.447 0.907 20 0 ECADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)C[NH3+])c2)CC1 ZINC000415645512 437835802 /nfs/dbraw/zinc/83/58/02/437835802.db2.gz XOMILSJURLVCGI-AWEZNQCLSA-N 1 3 347.463 0.619 20 0 ECADHO COCC[C@@]1(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC[NH2+]C1 ZINC000370775068 437836608 /nfs/dbraw/zinc/83/66/08/437836608.db2.gz UTJUMYZAUTYPAZ-WBVHZDCISA-N 1 3 326.485 0.002 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000415772403 437856105 /nfs/dbraw/zinc/85/61/05/437856105.db2.gz TZZKIGHRYJELJF-GOEBONIOSA-N 1 3 330.432 0.897 20 0 ECADHO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415785328 437859742 /nfs/dbraw/zinc/85/97/42/437859742.db2.gz KIAUTKWPTTVQNP-CYBMUJFWSA-N 1 3 336.436 0.727 20 0 ECADHO C[C@H]1CCN(C(=O)[C@H]([NH3+])CCC(N)=O)CCN1Cc1ccccc1 ZINC000365562018 437932818 /nfs/dbraw/zinc/93/28/18/437932818.db2.gz BVHAQLWPVBPTHR-GOEBONIOSA-N 1 3 332.448 0.702 20 0 ECADHO [NH3+][C@@H]1CCc2ncc(NC(=O)NC[C@H]3CCCN3CCCO)cc2C1 ZINC000415953277 437881068 /nfs/dbraw/zinc/88/10/68/437881068.db2.gz FJYUMJHYBQSKNB-GDBMZVCRSA-N 1 3 347.463 0.866 20 0 ECADHO [NH3+]CCOc1ccc(NC(=O)NC[C@H]2CCCCN2CCO)cc1 ZINC000415949428 437882043 /nfs/dbraw/zinc/88/20/43/437882043.db2.gz WIPHRVLDJXMLFG-OAHLLOKOSA-N 1 3 336.436 0.992 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424151736 437894971 /nfs/dbraw/zinc/89/49/71/437894971.db2.gz HVSVMHHUNZEHSO-KBPBESRZSA-N 1 3 336.440 0.043 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000342048420 437950783 /nfs/dbraw/zinc/95/07/83/437950783.db2.gz YCLQIFSWHVRRLW-HNNXBMFYSA-N 1 3 326.485 0.824 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000342048420 437950787 /nfs/dbraw/zinc/95/07/87/437950787.db2.gz YCLQIFSWHVRRLW-HNNXBMFYSA-N 1 3 326.485 0.824 20 0 ECADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424483943 437954296 /nfs/dbraw/zinc/95/42/96/437954296.db2.gz ZGIDNZXDPNVCID-VNQPRFMTSA-N 1 3 336.484 0.977 20 0 ECADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424483943 437954303 /nfs/dbraw/zinc/95/43/03/437954303.db2.gz ZGIDNZXDPNVCID-VNQPRFMTSA-N 1 3 336.484 0.977 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)[N@H+](C)C1CC1 ZINC000342075916 437961000 /nfs/dbraw/zinc/96/10/00/437961000.db2.gz OIHZCQIQFPTGLZ-DZGCQCFKSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)[N@@H+](C)C1CC1 ZINC000342075916 437961004 /nfs/dbraw/zinc/96/10/04/437961004.db2.gz OIHZCQIQFPTGLZ-DZGCQCFKSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[N@H+](C)C1CC1 ZINC000342086930 437963275 /nfs/dbraw/zinc/96/32/75/437963275.db2.gz NUVZQRGFGWFIKG-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[N@@H+](C)C1CC1 ZINC000342086930 437963279 /nfs/dbraw/zinc/96/32/79/437963279.db2.gz NUVZQRGFGWFIKG-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C[C@@H]1C ZINC000342086976 437964996 /nfs/dbraw/zinc/96/49/96/437964996.db2.gz NWVWYSQQJOWITQ-DZKIICNBSA-N 1 3 338.496 0.917 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C[C@@H]1C ZINC000342086976 437965000 /nfs/dbraw/zinc/96/50/00/437965000.db2.gz NWVWYSQQJOWITQ-DZKIICNBSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@@H]([NH2+]CC1(N)CCC1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000342113786 437969369 /nfs/dbraw/zinc/96/93/69/437969369.db2.gz AGQNURICAGMYAL-CYBMUJFWSA-N 1 3 334.420 0.424 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000357570432 438015500 /nfs/dbraw/zinc/01/55/00/438015500.db2.gz CXBMWZXJWBPLEQ-UHFFFAOYSA-N 1 3 342.484 0.060 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425388801 438025766 /nfs/dbraw/zinc/02/57/66/438025766.db2.gz OXWVGDAYKLUSJE-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417196095 438030945 /nfs/dbraw/zinc/03/09/45/438030945.db2.gz OWOOVIQPWIYQKY-KRWDZBQOSA-N 1 3 333.480 0.364 20 0 ECADHO [NH3+]C[C@H]1CCCN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417370035 438042941 /nfs/dbraw/zinc/04/29/41/438042941.db2.gz SAWBBMYNKMXTRL-QGZVFWFLSA-N 1 3 346.479 0.726 20 0 ECADHO O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416837236 437995768 /nfs/dbraw/zinc/99/57/68/437995768.db2.gz HLZSEGOUPUQCGB-GOSISDBHSA-N 1 3 345.491 0.855 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000416945289 438003912 /nfs/dbraw/zinc/00/39/12/438003912.db2.gz FEVUUZYFYKWCRN-HOTGVXAUSA-N 1 3 327.517 0.931 20 0 ECADHO O=C(C[C@@H]1CSCCN1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000366517034 438086473 /nfs/dbraw/zinc/08/64/73/438086473.db2.gz SZGWBBBYJINQSL-CQSZACIVSA-N 1 3 327.494 0.795 20 0 ECADHO O=C(C[C@@H]1CSCCN1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000366517034 438086478 /nfs/dbraw/zinc/08/64/78/438086478.db2.gz SZGWBBBYJINQSL-CQSZACIVSA-N 1 3 327.494 0.795 20 0 ECADHO [NH3+]C[C@H](NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)C1CC1 ZINC000417988806 438097776 /nfs/dbraw/zinc/09/77/76/438097776.db2.gz IUUXCCOHXSDVRZ-SJORKVTESA-N 1 3 332.448 0.790 20 0 ECADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000342753702 438055582 /nfs/dbraw/zinc/05/55/82/438055582.db2.gz HGIOMLXKNASEPL-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@H]1CNCCO1 ZINC000417511356 438057668 /nfs/dbraw/zinc/05/76/68/438057668.db2.gz YVFAADRNDQPGND-QZTJIDSGSA-N 1 3 346.475 0.839 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@H]1CNCCO1 ZINC000417511356 438057672 /nfs/dbraw/zinc/05/76/72/438057672.db2.gz YVFAADRNDQPGND-QZTJIDSGSA-N 1 3 346.475 0.839 20 0 ECADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C[C@@H](C)O1 ZINC000372911964 438117924 /nfs/dbraw/zinc/11/79/24/438117924.db2.gz NTZGVXKOQPINDR-TXCZRRACSA-N 1 3 339.480 0.447 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)CCOC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000349007020 438125931 /nfs/dbraw/zinc/12/59/31/438125931.db2.gz UXFONKTVTSQAGZ-GASCZTMLSA-N 1 3 339.480 0.713 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000343013816 438105248 /nfs/dbraw/zinc/10/52/48/438105248.db2.gz FUZLUAYUNQWMJP-GDBMZVCRSA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418324404 438130590 /nfs/dbraw/zinc/13/05/90/438130590.db2.gz GXWSTZODPAFBCJ-SJORKVTESA-N 1 3 334.464 0.778 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000358092677 438149844 /nfs/dbraw/zinc/14/98/44/438149844.db2.gz HGGFSQMTCSSQDC-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000418674021 438174549 /nfs/dbraw/zinc/17/45/49/438174549.db2.gz OWWOAIHZGSIRTI-YESZJQIVSA-N 1 3 338.496 0.767 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000418689590 438175140 /nfs/dbraw/zinc/17/51/40/438175140.db2.gz VMWWTGBARYMLRE-JYJNAYRXSA-N 1 3 326.485 0.898 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418756732 438183263 /nfs/dbraw/zinc/18/32/63/438183263.db2.gz ALHJFFQMVLRKQI-GJZGRUSLSA-N 1 3 339.484 0.309 20 0 ECADHO C[C@]1(CNC(=O)C(=O)NCC2C[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418805608 438193953 /nfs/dbraw/zinc/19/39/53/438193953.db2.gz BTFLZTATPQBMBR-LJQANCHMSA-N 1 3 344.459 0.493 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000358111127 438155992 /nfs/dbraw/zinc/15/59/92/438155992.db2.gz OBHFITJZRXONFO-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000358111127 438155996 /nfs/dbraw/zinc/15/59/96/438155996.db2.gz OBHFITJZRXONFO-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO [NH3+]C1(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CCC1 ZINC000418529298 438156708 /nfs/dbraw/zinc/15/67/08/438156708.db2.gz SUMSNWAMAIOIBT-GOSISDBHSA-N 1 3 332.448 0.804 20 0 ECADHO CC(C)C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)C(=O)NCCN(C)C ZINC000418552528 438158546 /nfs/dbraw/zinc/15/85/46/438158546.db2.gz RPYNWJJFKTZYOT-CABCVRRESA-N 1 3 341.500 0.520 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358128414 438160870 /nfs/dbraw/zinc/16/08/70/438160870.db2.gz KIDGSYNMVYAQGA-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358128414 438160874 /nfs/dbraw/zinc/16/08/74/438160874.db2.gz KIDGSYNMVYAQGA-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C(=O)NCCN(C)C ZINC000418598821 438164825 /nfs/dbraw/zinc/16/48/25/438164825.db2.gz QSZKYBHXFSGASK-KFWWJZLASA-N 1 3 341.500 0.376 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCC(=O)NCCN2CCCCCC2)CC[NH2+]1 ZINC000418610010 438165652 /nfs/dbraw/zinc/16/56/52/438165652.db2.gz TWJVGQWHJRNHBW-LSDHHAIUSA-N 1 3 339.484 0.418 20 0 ECADHO CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)NC(=O)CN(C)C(C)C ZINC000358148905 438168033 /nfs/dbraw/zinc/16/80/33/438168033.db2.gz BVSWYMDSBZFNPR-HNNXBMFYSA-N 1 3 328.501 0.924 20 0 ECADHO CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)NC(=O)CN(C)C(C)C ZINC000358148905 438168036 /nfs/dbraw/zinc/16/80/36/438168036.db2.gz BVSWYMDSBZFNPR-HNNXBMFYSA-N 1 3 328.501 0.924 20 0 ECADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)NC(=O)C[N@H+](C)C(C)C ZINC000358148905 438168040 /nfs/dbraw/zinc/16/80/40/438168040.db2.gz BVSWYMDSBZFNPR-HNNXBMFYSA-N 1 3 328.501 0.924 20 0 ECADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)NC(=O)C[N@@H+](C)C(C)C ZINC000358148905 438168042 /nfs/dbraw/zinc/16/80/42/438168042.db2.gz BVSWYMDSBZFNPR-HNNXBMFYSA-N 1 3 328.501 0.924 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[NH2+]1 ZINC000418847952 438214387 /nfs/dbraw/zinc/21/43/87/438214387.db2.gz KIDJHDSINIIBSU-OIISXLGYSA-N 1 3 346.475 0.532 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000418862978 438224736 /nfs/dbraw/zinc/22/47/36/438224736.db2.gz GPSHXLNSGCJBBJ-GDBMZVCRSA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000418876195 438232767 /nfs/dbraw/zinc/23/27/67/438232767.db2.gz LURWPGXYTODEAL-HOTGVXAUSA-N 1 3 332.448 0.225 20 0 ECADHO CCC[NH+]1CCC(NC(=O)C(=O)N(CCN)Cc2ccccc2)CC1 ZINC000418906085 438244320 /nfs/dbraw/zinc/24/43/20/438244320.db2.gz FHUKCDOFNZYJIW-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000358520365 438245091 /nfs/dbraw/zinc/24/50/91/438245091.db2.gz GZISTOFBJDKTEY-JKSUJKDBSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000358520365 438245095 /nfs/dbraw/zinc/24/50/95/438245095.db2.gz GZISTOFBJDKTEY-JKSUJKDBSA-N 1 3 325.501 0.748 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000418842780 438210425 /nfs/dbraw/zinc/21/04/25/438210425.db2.gz BRCHNBFXVWUCPB-KRWDZBQOSA-N 1 3 346.475 0.473 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418957008 438263474 /nfs/dbraw/zinc/26/34/74/438263474.db2.gz DAHPABXLHWQABX-HUUCEWRRSA-N 1 3 334.464 0.595 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000418973105 438269489 /nfs/dbraw/zinc/26/94/89/438269489.db2.gz ZVBXPQCPHIRAEB-ZBFHGGJFSA-N 1 3 332.448 0.443 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351537715 438282298 /nfs/dbraw/zinc/28/22/98/438282298.db2.gz JCNBHQLGIRIHQU-CVEARBPZSA-N 1 3 332.448 0.144 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000358700236 438284108 /nfs/dbraw/zinc/28/41/08/438284108.db2.gz ZBKRIHIUXSQDCC-DOTOQJQBSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000358700236 438284112 /nfs/dbraw/zinc/28/41/12/438284112.db2.gz ZBKRIHIUXSQDCC-DOTOQJQBSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419026800 438295027 /nfs/dbraw/zinc/29/50/27/438295027.db2.gz NWARPJBZCQGGJB-QKPAOTATSA-N 1 3 338.496 0.809 20 0 ECADHO CN1CCN(C(=O)CCN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000368481922 438336938 /nfs/dbraw/zinc/33/69/38/438336938.db2.gz HYPQGIREIJYFIN-BRWVUGGUSA-N 1 3 338.496 0.334 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419133677 438339640 /nfs/dbraw/zinc/33/96/40/438339640.db2.gz GIIRQJZBSZLEHH-HNNXBMFYSA-N 1 3 348.447 0.111 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000358817428 438307552 /nfs/dbraw/zinc/30/75/52/438307552.db2.gz CAYKZMVIHOUYKI-ILXRZTDVSA-N 1 3 340.512 0.878 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000351859240 438349616 /nfs/dbraw/zinc/34/96/16/438349616.db2.gz GCGJWURQEAYBHL-HOTGVXAUSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NCCN ZINC000419220702 438350280 /nfs/dbraw/zinc/35/02/80/438350280.db2.gz VLXMLTIZRGKGQK-AWEZNQCLSA-N 1 3 332.448 0.752 20 0 ECADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NCCN ZINC000419220702 438350283 /nfs/dbraw/zinc/35/02/83/438350283.db2.gz VLXMLTIZRGKGQK-AWEZNQCLSA-N 1 3 332.448 0.752 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419431692 438357397 /nfs/dbraw/zinc/35/73/97/438357397.db2.gz XQPYKMQYIVANEH-BZUAXINKSA-N 1 3 340.512 0.960 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1=O ZINC000378226398 438364707 /nfs/dbraw/zinc/36/47/07/438364707.db2.gz LJXYRLQAJHJBHM-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419693691 438366826 /nfs/dbraw/zinc/36/68/26/438366826.db2.gz IGUNDFZBOXBIJQ-XHSDSOJGSA-N 1 3 338.496 0.809 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419779725 438371014 /nfs/dbraw/zinc/37/10/14/438371014.db2.gz PROOXJOECAELOO-CQSZACIVSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419782136 438372354 /nfs/dbraw/zinc/37/23/54/438372354.db2.gz UCRYAOGQQOSZLS-HUUCEWRRSA-N 1 3 338.496 0.857 20 0 ECADHO CN(CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435622561 438373786 /nfs/dbraw/zinc/37/37/86/438373786.db2.gz RZACIODMSCMKHR-INIZCTEOSA-N 1 3 346.479 0.589 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@@H+]1CCC2(C1)CCN([C@@H](C)C(=O)N(C)C)CC2 ZINC000368761088 438377574 /nfs/dbraw/zinc/37/75/74/438377574.db2.gz IUAGRIACMLEFAC-LSDHHAIUSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@H+]1CCC2(C1)CCN([C@@H](C)C(=O)N(C)C)CC2 ZINC000368761088 438377581 /nfs/dbraw/zinc/37/75/81/438377581.db2.gz IUAGRIACMLEFAC-LSDHHAIUSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420013218 438381903 /nfs/dbraw/zinc/38/19/03/438381903.db2.gz JANHSPBWHWDIKF-HUUCEWRRSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000420031641 438383355 /nfs/dbraw/zinc/38/33/55/438383355.db2.gz HKXWPKDCFDDWRS-OCCSQVGLSA-N 1 3 340.468 0.016 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000420790700 438439636 /nfs/dbraw/zinc/43/96/36/438439636.db2.gz GYPJDKQKWOAKFY-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000359276771 438400393 /nfs/dbraw/zinc/40/03/93/438400393.db2.gz RKYRBVXZQMFYLG-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000359276771 438400398 /nfs/dbraw/zinc/40/03/98/438400398.db2.gz RKYRBVXZQMFYLG-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)C(=O)OC ZINC000420334808 438400567 /nfs/dbraw/zinc/40/05/67/438400567.db2.gz LHVHGMQAEJIKBX-NYTXWWLZSA-N 1 3 325.453 0.622 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000420433494 438406665 /nfs/dbraw/zinc/40/66/65/438406665.db2.gz YXCNVKPOOZQZDO-UHFFFAOYSA-N 1 3 329.470 0.221 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N1CCCNCC1)[N@H+](C)Cc1ccccc1 ZINC000379661156 438410748 /nfs/dbraw/zinc/41/07/48/438410748.db2.gz DLXOMYWHAUVOKL-INIZCTEOSA-N 1 3 346.475 0.835 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N1CCCNCC1)[N@@H+](C)Cc1ccccc1 ZINC000379661156 438410754 /nfs/dbraw/zinc/41/07/54/438410754.db2.gz DLXOMYWHAUVOKL-INIZCTEOSA-N 1 3 346.475 0.835 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)C1CC1 ZINC000359323013 438412674 /nfs/dbraw/zinc/41/26/74/438412674.db2.gz OLLADPJPOFTAGA-ZBFHGGJFSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)C1CC1 ZINC000359323013 438412677 /nfs/dbraw/zinc/41/26/77/438412677.db2.gz OLLADPJPOFTAGA-ZBFHGGJFSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000421557900 438491757 /nfs/dbraw/zinc/49/17/57/438491757.db2.gz NDQARAFBOSYPCW-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000421557900 438491759 /nfs/dbraw/zinc/49/17/59/438491759.db2.gz NDQARAFBOSYPCW-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@H]1C ZINC000422113685 438520588 /nfs/dbraw/zinc/52/05/88/438520588.db2.gz IADIISNSVQNGJF-PMPSAXMXSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@H]1C ZINC000422113685 438520591 /nfs/dbraw/zinc/52/05/91/438520591.db2.gz IADIISNSVQNGJF-PMPSAXMXSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422277076 438541239 /nfs/dbraw/zinc/54/12/39/438541239.db2.gz HMLPIUCMZUYABB-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422277076 438541243 /nfs/dbraw/zinc/54/12/43/438541243.db2.gz HMLPIUCMZUYABB-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO OCCN1CCN(CCCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440807284 438565080 /nfs/dbraw/zinc/56/50/80/438565080.db2.gz JEVPZEWUKIRTKI-UHFFFAOYSA-N 1 3 349.401 0.908 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000370300696 438569473 /nfs/dbraw/zinc/56/94/73/438569473.db2.gz PCILJJSSALUSGF-CVEARBPZSA-N 1 3 342.484 0.195 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000370300696 438569474 /nfs/dbraw/zinc/56/94/74/438569474.db2.gz PCILJJSSALUSGF-CVEARBPZSA-N 1 3 342.484 0.195 20 0 ECADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000422916096 438616544 /nfs/dbraw/zinc/61/65/44/438616544.db2.gz ZXYSXUYVYMMGDV-XUWVNRHRSA-N 1 3 327.469 0.759 20 0 ECADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000422963887 438621048 /nfs/dbraw/zinc/62/10/48/438621048.db2.gz HCXNSVAYLOPBTO-FVQBIDKESA-N 1 3 325.478 0.959 20 0 ECADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000422963888 438621235 /nfs/dbraw/zinc/62/12/35/438621235.db2.gz HCXNSVAYLOPBTO-IMJJTQAJSA-N 1 3 325.478 0.959 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422980299 438625130 /nfs/dbraw/zinc/62/51/30/438625130.db2.gz LJPOCIBNPWNKBX-HNNXBMFYSA-N 1 3 336.480 0.722 20 0 ECADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423148264 438643335 /nfs/dbraw/zinc/64/33/35/438643335.db2.gz FPFIBIKXVPAOOY-CRAIPNDOSA-N 1 3 334.464 0.285 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423148267 438643879 /nfs/dbraw/zinc/64/38/79/438643879.db2.gz FPFIBIKXVPAOOY-YJBOKZPZSA-N 1 3 334.464 0.285 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C[C@@H]1C ZINC000410738259 438648273 /nfs/dbraw/zinc/64/82/73/438648273.db2.gz WDDUXZAIWJTUFO-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C[C@@H]1C ZINC000410738259 438648278 /nfs/dbraw/zinc/64/82/78/438648278.db2.gz WDDUXZAIWJTUFO-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423238289 438652114 /nfs/dbraw/zinc/65/21/14/438652114.db2.gz JABJPLRDEPLOJT-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410881896 438666416 /nfs/dbraw/zinc/66/64/16/438666416.db2.gz DCQNNAYFEITLSA-INIZCTEOSA-N 1 3 340.512 0.975 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410881896 438666420 /nfs/dbraw/zinc/66/64/20/438666420.db2.gz DCQNNAYFEITLSA-INIZCTEOSA-N 1 3 340.512 0.975 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)N(C)C)C1)[NH+](C)C ZINC000411371647 438675701 /nfs/dbraw/zinc/67/57/01/438675701.db2.gz APBXJQIZUKLZHR-NMWPEEMBSA-N 1 3 326.485 0.535 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)C1)N(C)C ZINC000411371647 438675703 /nfs/dbraw/zinc/67/57/03/438675703.db2.gz APBXJQIZUKLZHR-NMWPEEMBSA-N 1 3 326.485 0.535 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423582499 438690991 /nfs/dbraw/zinc/69/09/91/438690991.db2.gz XQICVHHTSVDYFV-CQSZACIVSA-N 1 3 326.485 0.761 20 0 ECADHO COc1ccnc(N2CCN(C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000414692678 438715681 /nfs/dbraw/zinc/71/56/81/438715681.db2.gz KTOAZCJUDNVWEU-OAHLLOKOSA-N 1 3 347.463 0.410 20 0 ECADHO COC(=O)CN(CCN1CCN(C)CC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414761539 438716182 /nfs/dbraw/zinc/71/61/82/438716182.db2.gz UBKBYWBRSAPKHH-HZPDHXFCSA-N 1 3 326.485 0.097 20 0 ECADHO COCCOc1cc2c(cc1CNCCN1CC[NH2+]CC1)OCO2 ZINC000414861136 438718676 /nfs/dbraw/zinc/71/86/76/438718676.db2.gz FCSJZIQRVUNOQZ-UHFFFAOYSA-N 1 3 337.420 0.435 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000454576015 438721284 /nfs/dbraw/zinc/72/12/84/438721284.db2.gz IJNPHDYNIZJUOO-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)N1CCCCC1 ZINC000574788946 438721306 /nfs/dbraw/zinc/72/13/06/438721306.db2.gz HNMSMSAFCZESRG-LSDHHAIUSA-N 1 3 326.485 0.679 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000454576015 438721285 /nfs/dbraw/zinc/72/12/85/438721285.db2.gz IJNPHDYNIZJUOO-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000454582999 438721532 /nfs/dbraw/zinc/72/15/32/438721532.db2.gz MWNVHZXHOFLYFI-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000454582999 438721537 /nfs/dbraw/zinc/72/15/37/438721537.db2.gz MWNVHZXHOFLYFI-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO CN1CCCN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000496121275 438739714 /nfs/dbraw/zinc/73/97/14/438739714.db2.gz IXWSJSFFRGDZOC-UHFFFAOYSA-N 1 3 342.488 0.263 20 0 ECADHO C[N@H+](CCNC(=O)OC(C)(C)C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000496572152 438747231 /nfs/dbraw/zinc/74/72/31/438747231.db2.gz PGIDXBXIKBQESB-CYBMUJFWSA-N 1 3 328.457 0.640 20 0 ECADHO C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000496572152 438747232 /nfs/dbraw/zinc/74/72/32/438747232.db2.gz PGIDXBXIKBQESB-CYBMUJFWSA-N 1 3 328.457 0.640 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000553345870 438750263 /nfs/dbraw/zinc/75/02/63/438750263.db2.gz QRXVPSSWAFDSMO-NVXWUHKLSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000553345870 438750266 /nfs/dbraw/zinc/75/02/66/438750266.db2.gz QRXVPSSWAFDSMO-NVXWUHKLSA-N 1 3 348.491 0.816 20 0 ECADHO CCC[C@@H]1CNCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000557197372 438796015 /nfs/dbraw/zinc/79/60/15/438796015.db2.gz NKEVBMAKDDHKPV-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CCC[C@@H]1CNCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000557197372 438796016 /nfs/dbraw/zinc/79/60/16/438796016.db2.gz NKEVBMAKDDHKPV-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@H](C[C@H]1CCCO1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000557314919 438798790 /nfs/dbraw/zinc/79/87/90/438798790.db2.gz LBSWBYYSKUYJQT-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)C1 ZINC000558281592 438807047 /nfs/dbraw/zinc/80/70/47/438807047.db2.gz UKJXXDMRAGXLEC-OWCLPIDISA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)CC[NH+]1CCC(CNC(=O)c2conc2C(C)(C)N)CC1 ZINC000575880960 438757875 /nfs/dbraw/zinc/75/78/75/438757875.db2.gz BZAQXOMQYMWYEI-UHFFFAOYSA-N 1 3 337.468 0.872 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000576371949 438779617 /nfs/dbraw/zinc/77/96/17/438779617.db2.gz QILGRXDXSFGFRL-AWEZNQCLSA-N 1 3 347.467 0.740 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000576371949 438779619 /nfs/dbraw/zinc/77/96/19/438779619.db2.gz QILGRXDXSFGFRL-AWEZNQCLSA-N 1 3 347.467 0.740 20 0 ECADHO C[NH+](C)C[C@@H](O)CNC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000497216264 438780296 /nfs/dbraw/zinc/78/02/96/438780296.db2.gz VLJYOSFDIKWCDH-WMLDXEAASA-N 1 3 345.484 0.651 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000512448035 438810441 /nfs/dbraw/zinc/81/04/41/438810441.db2.gz PNQMRQJOIBVQFS-JYJNAYRXSA-N 1 3 325.501 0.604 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000577269732 438828231 /nfs/dbraw/zinc/82/82/31/438828231.db2.gz AVHHHCUKBFJNID-GOSISDBHSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)C[NH+]1CCCC1 ZINC000457871162 438836743 /nfs/dbraw/zinc/83/67/43/438836743.db2.gz BKFXAHZYFNROQC-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577394935 438839180 /nfs/dbraw/zinc/83/91/80/438839180.db2.gz HQVCELXVYNIKST-GJZGRUSLSA-N 1 3 337.468 0.073 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC000577475378 438844563 /nfs/dbraw/zinc/84/45/63/438844563.db2.gz UGNIFLJVADCVKU-LSDHHAIUSA-N 1 3 325.501 0.829 20 0 ECADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCN(c2cnccn2)CC1 ZINC000564985424 438898238 /nfs/dbraw/zinc/89/82/38/438898238.db2.gz JHORDLAXTXAWOP-IYBDPMFKSA-N 1 3 344.463 0.057 20 0 ECADHO COC(=O)c1cn([C@@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)nn1 ZINC000595890369 438880040 /nfs/dbraw/zinc/88/00/40/438880040.db2.gz CTRQSUWEWQTDRR-OLZOCXBDSA-N 1 3 335.408 0.223 20 0 ECADHO COC[C@@H](C)NC(=O)NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595904618 438882336 /nfs/dbraw/zinc/88/23/36/438882336.db2.gz IUKZBFCRNGJMTH-MGPQQGTHSA-N 1 3 328.457 0.687 20 0 ECADHO C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CCCCN2CCO)CCSC1 ZINC000458492170 438892199 /nfs/dbraw/zinc/89/21/99/438892199.db2.gz FIIIXPLOLTVGNT-GDBMZVCRSA-N 1 3 344.525 0.570 20 0 ECADHO CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC000565183645 438923662 /nfs/dbraw/zinc/92/36/62/438923662.db2.gz YCJMAZRKPMDOJR-ARFHVFGLSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC000565183645 438923668 /nfs/dbraw/zinc/92/36/68/438923668.db2.gz YCJMAZRKPMDOJR-ARFHVFGLSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000565183645 438923672 /nfs/dbraw/zinc/92/36/72/438923672.db2.gz YCJMAZRKPMDOJR-ARFHVFGLSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000565183645 438923677 /nfs/dbraw/zinc/92/36/77/438923677.db2.gz YCJMAZRKPMDOJR-ARFHVFGLSA-N 1 3 338.496 0.681 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000578444965 438924218 /nfs/dbraw/zinc/92/42/18/438924218.db2.gz LWIUKSKHPDOYLJ-AWEZNQCLSA-N 1 3 348.447 0.954 20 0 ECADHO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[C@H](N)C3)CC2)cn1 ZINC000565225320 438931559 /nfs/dbraw/zinc/93/15/59/438931559.db2.gz CJVBOOLJXXIQNZ-JSGCOSHPSA-N 1 3 341.481 0.433 20 0 ECADHO O=C1CNCCN1[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565309734 438942228 /nfs/dbraw/zinc/94/22/28/438942228.db2.gz NZSVLQANRVDHIS-SFHVURJKSA-N 1 3 328.460 0.729 20 0 ECADHO CC[N@H+](CCNC(=O)NCCCCN1CCN(C)CC1)C1CC1 ZINC000517083159 438951131 /nfs/dbraw/zinc/95/11/31/438951131.db2.gz YUBPSSSCYSEBFP-UHFFFAOYSA-N 1 3 325.501 0.798 20 0 ECADHO CC[N@@H+](CCNC(=O)NCCCCN1CCN(C)CC1)C1CC1 ZINC000517083159 438951136 /nfs/dbraw/zinc/95/11/36/438951136.db2.gz YUBPSSSCYSEBFP-UHFFFAOYSA-N 1 3 325.501 0.798 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000517565411 438971013 /nfs/dbraw/zinc/97/10/13/438971013.db2.gz BYLZHPBOGSWALK-CQSZACIVSA-N 1 3 346.410 0.693 20 0 ECADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000590980655 438973755 /nfs/dbraw/zinc/97/37/55/438973755.db2.gz ICXJYBAJKXVMSP-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO CN(C)Cc1ccc(N2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)nc1 ZINC000579453458 439009106 /nfs/dbraw/zinc/00/91/06/439009106.db2.gz DWWNWBFJMCNERQ-QLPKVWCKSA-N 1 3 344.463 0.193 20 0 ECADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@H](O)Cn1cccn1 ZINC000519646948 439049927 /nfs/dbraw/zinc/04/99/27/439049927.db2.gz FFNIBVCVZCPZCQ-OALUTQOASA-N 1 3 344.459 0.991 20 0 ECADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC[C@H](O)Cn1cccn1 ZINC000519646948 439049931 /nfs/dbraw/zinc/04/99/31/439049931.db2.gz FFNIBVCVZCPZCQ-OALUTQOASA-N 1 3 344.459 0.991 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3COC[C@H]3OC)CC2)CC1 ZINC000518795013 439011221 /nfs/dbraw/zinc/01/12/21/439011221.db2.gz VRYZNDGJVNKMQQ-IAGOWNOFSA-N 1 3 339.480 0.713 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000579589631 439022389 /nfs/dbraw/zinc/02/23/89/439022389.db2.gz JHZPOQRIDIMEBU-KGLIPLIRSA-N 1 3 325.457 0.062 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000579816241 439037851 /nfs/dbraw/zinc/03/78/51/439037851.db2.gz IFJSZNSVRMWPLM-KFWWJZLASA-N 1 3 336.480 0.291 20 0 ECADHO CCN1CC[C@H](N(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H]1C ZINC000566296403 439038605 /nfs/dbraw/zinc/03/86/05/439038605.db2.gz MJBKHSMAQDQCHO-ILXRZTDVSA-N 1 3 334.468 0.975 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCC([NH+]2CCCC2)CC1 ZINC000459936139 439039475 /nfs/dbraw/zinc/03/94/75/439039475.db2.gz QPGUGAFJAZTLJK-INIZCTEOSA-N 1 3 334.464 0.380 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000597406599 439094835 /nfs/dbraw/zinc/09/48/35/439094835.db2.gz JMQUXXNPBZLVKW-HNNXBMFYSA-N 1 3 339.484 0.323 20 0 ECADHO C[S@@](=O)C1(C(=O)N2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000602480470 439095958 /nfs/dbraw/zinc/09/59/58/439095958.db2.gz XGMWOHGAZSWXHO-HSZRJFAPSA-N 1 3 336.461 0.231 20 0 ECADHO CN(C)CCn1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000566924176 439099962 /nfs/dbraw/zinc/09/99/62/439099962.db2.gz NGUFOPBOFBPFIA-HNNXBMFYSA-N 1 3 349.479 0.675 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000566990787 439106759 /nfs/dbraw/zinc/10/67/59/439106759.db2.gz ZEYHWNINVNVOBJ-AWEZNQCLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000566990787 439106763 /nfs/dbraw/zinc/10/67/63/439106763.db2.gz ZEYHWNINVNVOBJ-AWEZNQCLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)C[C@@H](C)O1 ZINC000479254817 439114284 /nfs/dbraw/zinc/11/42/84/439114284.db2.gz NTZGVXKOQPINDR-MUIFIZLQSA-N 1 3 339.480 0.447 20 0 ECADHO Fc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1-n1cncn1 ZINC000580192314 439070872 /nfs/dbraw/zinc/07/08/72/439070872.db2.gz JNYVODHQNGQNSA-HNNXBMFYSA-N 1 3 330.411 0.886 20 0 ECADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000460078293 439076695 /nfs/dbraw/zinc/07/66/95/439076695.db2.gz RICDJBUIRNJNQL-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000460078293 439076699 /nfs/dbraw/zinc/07/66/99/439076699.db2.gz RICDJBUIRNJNQL-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567180689 439121700 /nfs/dbraw/zinc/12/17/00/439121700.db2.gz QYCMPBQVAGGEOQ-KFWWJZLASA-N 1 3 337.468 0.060 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567180689 439121707 /nfs/dbraw/zinc/12/17/07/439121707.db2.gz QYCMPBQVAGGEOQ-KFWWJZLASA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)C[C@@H](O)C[NH3+] ZINC000567276508 439128930 /nfs/dbraw/zinc/12/89/30/439128930.db2.gz LFWDAFBEYXMZHF-YJBOKZPZSA-N 1 3 348.491 0.407 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000522288387 439152685 /nfs/dbraw/zinc/15/26/85/439152685.db2.gz GYAHGODLNBMUAT-HNNXBMFYSA-N 1 3 349.479 0.173 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000522288387 439152689 /nfs/dbraw/zinc/15/26/89/439152689.db2.gz GYAHGODLNBMUAT-HNNXBMFYSA-N 1 3 349.479 0.173 20 0 ECADHO Cc1csc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000525882687 439223912 /nfs/dbraw/zinc/22/39/12/439223912.db2.gz WLHAFNUPLDYRHN-UHFFFAOYSA-N 1 3 327.454 0.342 20 0 ECADHO COCCN(C)CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524393350 439185313 /nfs/dbraw/zinc/18/53/13/439185313.db2.gz FRZWZSGTOUOHIQ-GOSISDBHSA-N 1 3 335.448 0.318 20 0 ECADHO COCCN(C)CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524393350 439185318 /nfs/dbraw/zinc/18/53/18/439185318.db2.gz FRZWZSGTOUOHIQ-GOSISDBHSA-N 1 3 335.448 0.318 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488648790 439194320 /nfs/dbraw/zinc/19/43/20/439194320.db2.gz LWJADSGMDJOIPJ-OWCLPIDISA-N 1 3 326.485 0.936 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488648790 439194324 /nfs/dbraw/zinc/19/43/24/439194324.db2.gz LWJADSGMDJOIPJ-OWCLPIDISA-N 1 3 326.485 0.936 20 0 ECADHO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccnc(CN)c2)CC1 ZINC000582005931 439278974 /nfs/dbraw/zinc/27/89/74/439278974.db2.gz RIYHFZICUYMTKC-UHFFFAOYSA-N 1 3 326.404 0.939 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492987 439239853 /nfs/dbraw/zinc/23/98/53/439239853.db2.gz LBVCCGKWSHOHAY-KKUMJFAQSA-N 1 3 340.468 0.559 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000592560251 439256077 /nfs/dbraw/zinc/25/60/77/439256077.db2.gz ILNWFFGMTDQMMN-ZDUSSCGKSA-N 1 3 347.406 0.623 20 0 ECADHO CN1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000581932646 439266123 /nfs/dbraw/zinc/26/61/23/439266123.db2.gz OQDJGTCXNCXPLZ-SFHVURJKSA-N 1 3 345.491 0.935 20 0 ECADHO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCC[C@@H]1CN1CCCC1 ZINC000581937693 439266542 /nfs/dbraw/zinc/26/65/42/439266542.db2.gz CRWFODREYNCRKC-VQIMIIECSA-N 1 3 348.491 0.675 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)C[C@@H]21 ZINC000582295467 439313797 /nfs/dbraw/zinc/31/37/97/439313797.db2.gz PUUYDGKLICCQAM-WCXIOVBPSA-N 1 3 348.491 0.659 20 0 ECADHO CC[C@@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000569481411 439338931 /nfs/dbraw/zinc/33/89/31/439338931.db2.gz HBNWSAUVWICIDG-HZPDHXFCSA-N 1 3 332.448 0.737 20 0 ECADHO CC[C@@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000569481411 439338936 /nfs/dbraw/zinc/33/89/36/439338936.db2.gz HBNWSAUVWICIDG-HZPDHXFCSA-N 1 3 332.448 0.737 20 0 ECADHO O=C(C(=O)N1CC[C@H](N2CCCC2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000582108111 439290887 /nfs/dbraw/zinc/29/08/87/439290887.db2.gz RTLZPAPRVMJSBP-SJORKVTESA-N 1 3 348.491 0.627 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CCSC1 ZINC000582120460 439294596 /nfs/dbraw/zinc/29/45/96/439294596.db2.gz WSUBHMBYQXYKSY-WFASDCNBSA-N 1 3 338.481 0.197 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000569767843 439361202 /nfs/dbraw/zinc/36/12/02/439361202.db2.gz QPTCKPMXMUTOKE-HOCLYGCPSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000569767843 439361207 /nfs/dbraw/zinc/36/12/07/439361207.db2.gz QPTCKPMXMUTOKE-HOCLYGCPSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000569621615 439349787 /nfs/dbraw/zinc/34/97/87/439349787.db2.gz UTCVNHZTFAQXHB-BMFZPTHFSA-N 1 3 334.464 0.282 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NCCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000582856659 439389467 /nfs/dbraw/zinc/38/94/67/439389467.db2.gz QRQMOUREARQEQF-HZPDHXFCSA-N 1 3 331.464 0.980 20 0 ECADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583452455 439466451 /nfs/dbraw/zinc/46/64/51/439466451.db2.gz JUPOMHAVZCRUCU-SOUVJXGZSA-N 1 3 337.468 0.060 20 0 ECADHO COCCN(C)C[C@H](O)CN1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000593969545 439503045 /nfs/dbraw/zinc/50/30/45/439503045.db2.gz DLAZNPCPSYKYAF-JYJNAYRXSA-N 1 3 331.526 0.437 20 0 ECADHO CSC1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH+](C)CC1 ZINC000594245416 439530545 /nfs/dbraw/zinc/53/05/45/439530545.db2.gz UPQMFXJUPKUACK-UONOGXRCSA-N 1 3 342.509 0.274 20 0 ECADHO CN(C)C/C=C\C(=O)Nc1cccnc1CNC(=O)/C=C\C[NH+](C)C ZINC000492500535 439541644 /nfs/dbraw/zinc/54/16/44/439541644.db2.gz INHSZALMWIOJGX-LFPVQMOXSA-N 1 3 345.447 0.872 20 0 ECADHO CN(C)C/C=C\C(=O)NCc1ncccc1NC(=O)/C=C\C[NH+](C)C ZINC000492500535 439541648 /nfs/dbraw/zinc/54/16/48/439541648.db2.gz INHSZALMWIOJGX-LFPVQMOXSA-N 1 3 345.447 0.872 20 0 ECADHO CN(C)C/C=C/C(=O)Nc1cccnc1CNC(=O)/C=C\C[NH+](C)C ZINC000492500536 439541914 /nfs/dbraw/zinc/54/19/14/439541914.db2.gz INHSZALMWIOJGX-PCCLLEMOSA-N 1 3 345.447 0.872 20 0 ECADHO CN(C)C/C=C\C(=O)NCc1ncccc1NC(=O)/C=C/C[NH+](C)C ZINC000492500536 439541919 /nfs/dbraw/zinc/54/19/19/439541919.db2.gz INHSZALMWIOJGX-PCCLLEMOSA-N 1 3 345.447 0.872 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000571931586 439543093 /nfs/dbraw/zinc/54/30/93/439543093.db2.gz VZOJSTNNGOUGDG-CQSZACIVSA-N 1 3 342.484 0.060 20 0 ECADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(=O)NC ZINC000584181887 439560641 /nfs/dbraw/zinc/56/06/41/439560641.db2.gz LFICSAYWFDKLDX-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000584580317 439601156 /nfs/dbraw/zinc/60/11/56/439601156.db2.gz KBZHMTFKXCWJMX-GASCZTMLSA-N 1 3 333.436 0.383 20 0 ECADHO CN(CCC[NH3+])C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000584579855 439601650 /nfs/dbraw/zinc/60/16/50/439601650.db2.gz SIHLZRBYTKOICP-UHFFFAOYSA-N 1 3 334.468 0.584 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)[C@H](C[NH3+])CCC4)CCN2C1=O ZINC000594880765 439639596 /nfs/dbraw/zinc/63/95/96/439639596.db2.gz XKJMXUMZSGMZGC-YQQAZPJKSA-N 1 3 342.443 0.449 20 0 ECADHO CCC[C@](C)(N)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573089309 439626806 /nfs/dbraw/zinc/62/68/06/439626806.db2.gz JYCXGUYBSXUWFI-KEYYUXOJSA-N 1 3 337.468 0.251 20 0 ECADHO CC(C)(C)CCN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000573942365 439675675 /nfs/dbraw/zinc/67/56/75/439675675.db2.gz MIGAUEPHXFLGNR-UHFFFAOYSA-N 1 3 325.501 0.655 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000573942719 439675840 /nfs/dbraw/zinc/67/58/40/439675840.db2.gz MTVACQOKXKSUCI-HIFRSBDPSA-N 1 3 330.432 0.244 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000573942719 439675841 /nfs/dbraw/zinc/67/58/41/439675841.db2.gz MTVACQOKXKSUCI-HIFRSBDPSA-N 1 3 330.432 0.244 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000574179843 439688399 /nfs/dbraw/zinc/68/83/99/439688399.db2.gz GBCOSMJSMBQGBZ-OAHLLOKOSA-N 1 3 341.500 0.616 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1NC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000613987935 439767396 /nfs/dbraw/zinc/76/73/96/439767396.db2.gz WYXBRJNJYFUSHR-NMWPEEMBSA-N 1 3 326.485 0.820 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000613987935 439767397 /nfs/dbraw/zinc/76/73/97/439767397.db2.gz WYXBRJNJYFUSHR-NMWPEEMBSA-N 1 3 326.485 0.820 20 0 ECADHO CC[C@H](C(=O)N[C@H]1CCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000613987934 439767525 /nfs/dbraw/zinc/76/75/25/439767525.db2.gz WYXBRJNJYFUSHR-LXTVHRRPSA-N 1 3 326.485 0.820 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000613987934 439767526 /nfs/dbraw/zinc/76/75/26/439767526.db2.gz WYXBRJNJYFUSHR-LXTVHRRPSA-N 1 3 326.485 0.820 20 0 ECADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996861 439767572 /nfs/dbraw/zinc/76/75/72/439767572.db2.gz VKAPEPGVYFVOHK-OQIJWPOYSA-N 1 3 342.487 0.917 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)C1 ZINC000612548354 439726595 /nfs/dbraw/zinc/72/65/95/439726595.db2.gz MISKTUCYYXHQRM-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)C1 ZINC000612548354 439726596 /nfs/dbraw/zinc/72/65/96/439726596.db2.gz MISKTUCYYXHQRM-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000615617200 439803463 /nfs/dbraw/zinc/80/34/63/439803463.db2.gz VDGXAQWZNPKJHR-MAUKXSAKSA-N 1 3 336.480 0.341 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000615617200 439803464 /nfs/dbraw/zinc/80/34/64/439803464.db2.gz VDGXAQWZNPKJHR-MAUKXSAKSA-N 1 3 336.480 0.341 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758730 439877110 /nfs/dbraw/zinc/87/71/10/439877110.db2.gz SEPXETBRRJCRHZ-JSGCOSHPSA-N 1 3 336.402 0.671 20 0 ECADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662709503 439854347 /nfs/dbraw/zinc/85/43/47/439854347.db2.gz SEOIWPPIPGPAEE-IRXDYDNUSA-N 1 3 347.463 0.791 20 0 ECADHO CC(C)(N)c1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)on1 ZINC000662716235 439855086 /nfs/dbraw/zinc/85/50/86/439855086.db2.gz PCQKMRHGJWVWMZ-UHFFFAOYSA-N 1 3 349.435 0.249 20 0 ECADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662886034 439926884 /nfs/dbraw/zinc/92/68/84/439926884.db2.gz YSRQGMIXMXYSDE-HOCLYGCPSA-N 1 3 334.420 0.386 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000652703999 439931772 /nfs/dbraw/zinc/93/17/72/439931772.db2.gz DEEASZCWZIYADS-ARFHVFGLSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)C[NH+](C)C ZINC000626825889 439900212 /nfs/dbraw/zinc/90/02/12/439900212.db2.gz SKBKITDINOAQBG-GFCCVEGCSA-N 1 3 334.420 0.421 20 0 ECADHO CN1CCN(CCCS(=O)(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000631726890 439903364 /nfs/dbraw/zinc/90/33/64/439903364.db2.gz SLUGXDJFYLYDOB-UHFFFAOYSA-N 1 3 346.541 0.419 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCO1 ZINC000646851483 439905176 /nfs/dbraw/zinc/90/51/76/439905176.db2.gz VSYOGPMZDRNPDS-USXIJHARSA-N 1 3 332.448 0.868 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662859468 439915010 /nfs/dbraw/zinc/91/50/10/439915010.db2.gz NEKCQYXNDSJTEV-JENIJYKNSA-N 1 3 329.444 0.869 20 0 ECADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000641801833 439916378 /nfs/dbraw/zinc/91/63/78/439916378.db2.gz FPZVJZJNTCQEIH-CABCVRRESA-N 1 3 331.464 0.836 20 0 ECADHO C[NH+](C)CC[C@@H](N)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662857959 439917207 /nfs/dbraw/zinc/91/72/07/439917207.db2.gz DCWLCQZQIOBEMO-DLBZAZTESA-N 1 3 334.464 0.148 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000636586618 439944669 /nfs/dbraw/zinc/94/46/69/439944669.db2.gz ZLQYZQLPNZUCDU-GVDBMIGSSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000636586618 439944676 /nfs/dbraw/zinc/94/46/76/439944676.db2.gz ZLQYZQLPNZUCDU-GVDBMIGSSA-N 1 3 348.491 0.863 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)N1CCCCC1 ZINC000642084350 439945846 /nfs/dbraw/zinc/94/58/46/439945846.db2.gz FXGWISBOPOIGAK-ZNMIVQPWSA-N 1 3 336.480 0.563 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000642084388 439946075 /nfs/dbraw/zinc/94/60/75/439946075.db2.gz QUQPSOZIWZQJBZ-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO O=C(NCc1ccc2c(c1)CNC2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646990283 439962496 /nfs/dbraw/zinc/96/24/96/439962496.db2.gz VLUJCBOQMIDTOQ-OAHLLOKOSA-N 1 3 326.404 0.563 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000642540813 439989233 /nfs/dbraw/zinc/98/92/33/439989233.db2.gz OTRVJSKOXITOQB-QWHCGFSZSA-N 1 3 338.477 0.540 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642641296 439996295 /nfs/dbraw/zinc/99/62/95/439996295.db2.gz HFDMQTQZRGSKKV-HOCLYGCPSA-N 1 3 334.464 0.723 20 0 ECADHO [NH3+]C1(CNC(=O)[C@@H]2CNCCO2)CCN(Cc2ccccc2)CC1 ZINC000647090777 439999159 /nfs/dbraw/zinc/99/91/59/439999159.db2.gz XVHCAKMDVDOFPZ-INIZCTEOSA-N 1 3 332.448 0.085 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC[C@@H]1[NH3+] ZINC000642768946 440030389 /nfs/dbraw/zinc/03/03/89/440030389.db2.gz UBPRJHCLTOXPDY-DVOMOZLQSA-N 1 3 342.509 0.126 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000642911533 440061093 /nfs/dbraw/zinc/06/10/93/440061093.db2.gz CTYLGCXOVKQTQS-ZIAGYGMSSA-N 1 3 331.420 0.116 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000642943434 440066997 /nfs/dbraw/zinc/06/69/97/440066997.db2.gz LNSIHXNMGOBNOH-HOTGVXAUSA-N 1 3 338.496 0.999 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653119460 440070692 /nfs/dbraw/zinc/07/06/92/440070692.db2.gz KOQHHWVHLJHTGW-JKSUJKDBSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C)CC2 ZINC000642989113 440077487 /nfs/dbraw/zinc/07/74/87/440077487.db2.gz SOFADOLOIZNRMH-WCVJEAGWSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000642989721 440079211 /nfs/dbraw/zinc/07/92/11/440079211.db2.gz QRQRTZSGTKCBFV-JYJNAYRXSA-N 1 3 336.480 0.720 20 0 ECADHO O=C([C@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)C1)N1CCNCC1 ZINC000663493705 440087104 /nfs/dbraw/zinc/08/71/04/440087104.db2.gz DGDMYUGWMZFASA-ZDUSSCGKSA-N 1 3 349.504 0.433 20 0 ECADHO C[NH+](C)CCC[C@@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)CCO1 ZINC000663512737 440089653 /nfs/dbraw/zinc/08/96/53/440089653.db2.gz HNLFWNXWAZLTOE-JKSUJKDBSA-N 1 3 326.485 0.226 20 0 ECADHO C[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[C@@H]1N1CCN(C)CC1 ZINC000627216018 440049090 /nfs/dbraw/zinc/04/90/90/440049090.db2.gz NNRZWTIHYPXEKF-CVEARBPZSA-N 1 3 341.500 0.019 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000642908479 440058115 /nfs/dbraw/zinc/05/81/15/440058115.db2.gz UHKOLKYIQJSECL-LBPRGKRZSA-N 1 3 340.855 0.694 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627320365 440120833 /nfs/dbraw/zinc/12/08/33/440120833.db2.gz ZMZYJRJMINFCSS-GJZGRUSLSA-N 1 3 336.480 0.768 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)NC1CCN(C2CC2)CC1 ZINC000663546220 440094102 /nfs/dbraw/zinc/09/41/02/440094102.db2.gz SJIYWYJPKSUQHW-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000627311560 440112835 /nfs/dbraw/zinc/11/28/35/440112835.db2.gz BTLDHPYASASPOM-KBPBESRZSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627311645 440114136 /nfs/dbraw/zinc/11/41/36/440114136.db2.gz DOZJXFRZABTUTC-ILXRZTDVSA-N 1 3 336.480 0.624 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653435619 440174114 /nfs/dbraw/zinc/17/41/14/440174114.db2.gz ABHSJGXTBWPDDF-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653435619 440174121 /nfs/dbraw/zinc/17/41/21/440174121.db2.gz ABHSJGXTBWPDDF-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643471740 440177898 /nfs/dbraw/zinc/17/78/98/440177898.db2.gz IXANQTXBGVEXDB-CQSZACIVSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCCC23CCN(C)CC3)C[C@H]1C[NH3+] ZINC000643530121 440200928 /nfs/dbraw/zinc/20/09/28/440200928.db2.gz NVACPQQOBXHAKB-HUUCEWRRSA-N 1 3 336.480 0.517 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494674 440186267 /nfs/dbraw/zinc/18/62/67/440186267.db2.gz XVFNDRNHHIZJKS-BBWFWOEESA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C[C@H]1C[NH3+] ZINC000643498914 440188431 /nfs/dbraw/zinc/18/84/31/440188431.db2.gz VUKVICBIJNEZSK-BZUAXINKSA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000643500686 440188808 /nfs/dbraw/zinc/18/88/08/440188808.db2.gz VMCTVFSBDNDVFX-LSDHHAIUSA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC[C@@H]1[NH3+] ZINC000643498931 440190204 /nfs/dbraw/zinc/19/02/04/440190204.db2.gz XHCUDIJXFIMFLX-PMPSAXMXSA-N 1 3 336.480 0.659 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643513904 440192390 /nfs/dbraw/zinc/19/23/90/440192390.db2.gz LMEYRRSFEPETMR-CRAIPNDOSA-N 1 3 336.480 0.531 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000627358080 440149593 /nfs/dbraw/zinc/14/95/93/440149593.db2.gz ABNJIOBBZYXXBA-MRXNPFEDSA-N 1 3 332.448 0.747 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643558262 440213045 /nfs/dbraw/zinc/21/30/45/440213045.db2.gz BHXSAKURDCNYBP-YJBOKZPZSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NCC[NH2+]C1CC1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000637347418 440238251 /nfs/dbraw/zinc/23/82/51/440238251.db2.gz GLRWSCIRLMZIOT-GOSISDBHSA-N 1 3 332.448 0.675 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659081928 440233456 /nfs/dbraw/zinc/23/34/56/440233456.db2.gz YRDVNNQUGYUZSH-MRXNPFEDSA-N 1 3 348.447 0.742 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659081928 440233459 /nfs/dbraw/zinc/23/34/59/440233459.db2.gz YRDVNNQUGYUZSH-MRXNPFEDSA-N 1 3 348.447 0.742 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000643531837 440202385 /nfs/dbraw/zinc/20/23/85/440202385.db2.gz PBQRPTUJMRNRRX-DLBZAZTESA-N 1 3 344.459 0.669 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000664128573 440240554 /nfs/dbraw/zinc/24/05/54/440240554.db2.gz MDTIFEQRMISKFG-LSDHHAIUSA-N 1 3 325.501 0.794 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659101973 440250428 /nfs/dbraw/zinc/25/04/28/440250428.db2.gz LONBQRBDMAQOID-UHFFFAOYSA-N 1 3 346.431 0.515 20 0 ECADHO C[C@H]1CCC[C@](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000654395775 440306039 /nfs/dbraw/zinc/30/60/39/440306039.db2.gz TVRMAKRXCKXNBR-CUSZFKRNSA-N 1 3 338.496 0.957 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000637665926 440319017 /nfs/dbraw/zinc/31/90/17/440319017.db2.gz VFPCFILIBYBUCK-MRXNPFEDSA-N 1 3 336.440 0.338 20 0 ECADHO [NH3+]CCC[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659545065 440359946 /nfs/dbraw/zinc/35/99/46/440359946.db2.gz HSQOHSODHDMTPW-AWEZNQCLSA-N 1 3 344.419 0.920 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659558108 440363257 /nfs/dbraw/zinc/36/32/57/440363257.db2.gz XNGKLBYJIRPLSZ-RBSFLKMASA-N 1 3 339.484 0.036 20 0 ECADHO [NH3+]C[C@H]1CN(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000659565424 440364375 /nfs/dbraw/zinc/36/43/75/440364375.db2.gz IFPJHTISJNFKMP-KRWDZBQOSA-N 1 3 347.463 0.663 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000659556320 440364590 /nfs/dbraw/zinc/36/45/90/440364590.db2.gz GEUKDEUXHHUHSJ-UHFFFAOYSA-N 1 3 335.452 0.307 20 0 ECADHO N[C@@H]1CCCCN(CC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1=O ZINC000643800991 440324855 /nfs/dbraw/zinc/32/48/55/440324855.db2.gz OPGIRSMDAYOEND-CVEARBPZSA-N 1 3 332.448 0.923 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)ccc1OCCN(C)C ZINC000633039429 440417859 /nfs/dbraw/zinc/41/78/59/440417859.db2.gz KOKYFKYTNKIHPS-KBPBESRZSA-N 1 3 348.447 0.822 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659688707 440424109 /nfs/dbraw/zinc/42/41/09/440424109.db2.gz HNRDFPCYYUPSMW-SWKXRBFHSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCNC1=O ZINC000665123000 440425286 /nfs/dbraw/zinc/42/52/86/440425286.db2.gz YVGUKGXAVDIHSX-KBPBESRZSA-N 1 3 327.473 0.084 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCNC1=O ZINC000665123000 440425293 /nfs/dbraw/zinc/42/52/93/440425293.db2.gz YVGUKGXAVDIHSX-KBPBESRZSA-N 1 3 327.473 0.084 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)n1 ZINC000654899625 440429077 /nfs/dbraw/zinc/42/90/77/440429077.db2.gz VCNGNVJNGVTDEK-OAHLLOKOSA-N 1 3 335.452 0.428 20 0 ECADHO CN(C)CCn1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000654736918 440388215 /nfs/dbraw/zinc/38/82/15/440388215.db2.gz DQXLKWHUVLNVCG-UHFFFAOYSA-N 1 3 349.479 0.820 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)ccc1OCCN(C)C ZINC000633027538 440412386 /nfs/dbraw/zinc/41/23/86/440412386.db2.gz YCYOULMBNLGNTN-GJZGRUSLSA-N 1 3 346.431 0.447 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659725158 440463053 /nfs/dbraw/zinc/46/30/53/440463053.db2.gz YFCXBDBUYQXWGE-FMKPAKJESA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NC[C@H]([NH3+])C3CC3)ccc2[nH]c1=O ZINC000638151773 440465964 /nfs/dbraw/zinc/46/59/64/440465964.db2.gz AFGKQRLBNGGFPM-ZDUSSCGKSA-N 1 3 331.420 0.771 20 0 ECADHO C[C@@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C1CC[NH+](C)CC1 ZINC000644197689 440470658 /nfs/dbraw/zinc/47/06/58/440470658.db2.gz SVDFWCUTICVMAQ-UHOFOFEASA-N 1 3 334.468 0.587 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000659740277 440476886 /nfs/dbraw/zinc/47/68/86/440476886.db2.gz HCZRHGTURFNLBU-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000633080488 440431577 /nfs/dbraw/zinc/43/15/77/440431577.db2.gz GDNRBWNGJSTFKG-HOTGVXAUSA-N 1 3 336.480 0.803 20 0 ECADHO CN(C)C1(CNC(=O)[C@]2(C[NH3+])CCCOC2)Cc2ccccc2C1 ZINC000638120871 440446929 /nfs/dbraw/zinc/44/69/29/440446929.db2.gz GSWYUJPRXYPZRD-SFHVURJKSA-N 1 3 331.460 0.957 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN2CCNCC2)[C@@H](C)C1 ZINC000638117672 440448049 /nfs/dbraw/zinc/44/80/49/440448049.db2.gz SQVKCHNHEUEYRC-HOTGVXAUSA-N 1 3 326.485 0.145 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CN2CCNCC2)[C@@H](C)C1 ZINC000638117672 440448054 /nfs/dbraw/zinc/44/80/54/440448054.db2.gz SQVKCHNHEUEYRC-HOTGVXAUSA-N 1 3 326.485 0.145 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN2CCNCC2)[C@H](C)C1 ZINC000638117671 440450189 /nfs/dbraw/zinc/45/01/89/440450189.db2.gz SQVKCHNHEUEYRC-CVEARBPZSA-N 1 3 326.485 0.145 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CN2CCNCC2)[C@H](C)C1 ZINC000638117671 440450197 /nfs/dbraw/zinc/45/01/97/440450197.db2.gz SQVKCHNHEUEYRC-CVEARBPZSA-N 1 3 326.485 0.145 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000659749567 440487175 /nfs/dbraw/zinc/48/71/75/440487175.db2.gz ILIBFSUGGODLET-ZBFHGGJFSA-N 1 3 332.448 0.443 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638264903 440489590 /nfs/dbraw/zinc/48/95/90/440489590.db2.gz YXVJFYNVZCFQND-IAGOWNOFSA-N 1 3 341.496 0.819 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000659755967 440493035 /nfs/dbraw/zinc/49/30/35/440493035.db2.gz OAHNCBSEFMVOIN-ZDUSSCGKSA-N 1 3 338.427 0.440 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000665763005 440523483 /nfs/dbraw/zinc/52/34/83/440523483.db2.gz XCQYEUORKYAZSD-WMLDXEAASA-N 1 3 339.484 0.180 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000665763005 440523488 /nfs/dbraw/zinc/52/34/88/440523488.db2.gz XCQYEUORKYAZSD-WMLDXEAASA-N 1 3 339.484 0.180 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H](O)C(F)(F)F ZINC000665760629 440524120 /nfs/dbraw/zinc/52/41/20/440524120.db2.gz LYUGJNBLPSVXTA-RYUDHWBXSA-N 1 3 342.406 0.823 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H](O)C(F)(F)F ZINC000665760629 440524125 /nfs/dbraw/zinc/52/41/25/440524125.db2.gz LYUGJNBLPSVXTA-RYUDHWBXSA-N 1 3 342.406 0.823 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638387185 440524644 /nfs/dbraw/zinc/52/46/44/440524644.db2.gz UZTAVQSLVSLKFY-GOSISDBHSA-N 1 3 348.491 0.673 20 0 ECADHO CCc1nc([C@@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n[nH]1 ZINC000665760330 440524705 /nfs/dbraw/zinc/52/47/05/440524705.db2.gz GJKLGEZTMCGGGL-QWHCGFSZSA-N 1 3 339.488 0.999 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000665760805 440526136 /nfs/dbraw/zinc/52/61/36/440526136.db2.gz PJFHYUWNSKDXDY-QWHCGFSZSA-N 1 3 329.489 0.458 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000665760805 440526140 /nfs/dbraw/zinc/52/61/40/440526140.db2.gz PJFHYUWNSKDXDY-QWHCGFSZSA-N 1 3 329.489 0.458 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000665763765 440530003 /nfs/dbraw/zinc/53/00/03/440530003.db2.gz LFZROFGJCUPKRX-UXLLHSPISA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000665763765 440530012 /nfs/dbraw/zinc/53/00/12/440530012.db2.gz LFZROFGJCUPKRX-UXLLHSPISA-N 1 3 326.485 0.936 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655447331 440563384 /nfs/dbraw/zinc/56/33/84/440563384.db2.gz WRFOJTFXIPOHAQ-QAPCUYQASA-N 1 3 334.464 0.143 20 0 ECADHO C[NH2+]CCOCCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000638579069 440571748 /nfs/dbraw/zinc/57/17/48/440571748.db2.gz XOCQVNLOGSUETP-UHFFFAOYSA-N 1 3 348.491 0.859 20 0 ECADHO [NH3+][C@H]1CC=C(C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439093 440540070 /nfs/dbraw/zinc/54/00/70/440540070.db2.gz HBXFRZGIPVBFLF-CABCVRRESA-N 1 3 344.463 0.573 20 0 ECADHO CN(C)CCN1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1=O ZINC000650589114 440655230 /nfs/dbraw/zinc/65/52/30/440655230.db2.gz NZHBIIBAFGXZJQ-UHFFFAOYSA-N 1 3 339.484 0.278 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666727802 440682195 /nfs/dbraw/zinc/68/21/95/440682195.db2.gz AHXUYDNFVHMSRO-MRXNPFEDSA-N 1 3 348.447 0.653 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000644548851 440643608 /nfs/dbraw/zinc/64/36/08/440643608.db2.gz MKQRHBUEEBPWMC-HKUYNNGSSA-N 1 3 334.508 0.705 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCCN(CCCO)C2)cn1 ZINC000650470255 440646824 /nfs/dbraw/zinc/64/68/24/440646824.db2.gz BUVPQBJQHAFOAP-AWEZNQCLSA-N 1 3 338.456 0.413 20 0 ECADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C3CC3)C2)CC1 ZINC000634704869 440690421 /nfs/dbraw/zinc/69/04/21/440690421.db2.gz QPSBGZMNTSDPDC-RYQLBKOJSA-N 1 3 325.497 0.657 20 0 ECADHO COC[C@@]1(CO)CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639665754 440755815 /nfs/dbraw/zinc/75/58/15/440755815.db2.gz IKNCEUHATZSVFM-OALUTQOASA-N 1 3 334.460 0.954 20 0 ECADHO COC[C@@]1(CO)CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639665754 440755819 /nfs/dbraw/zinc/75/58/19/440755819.db2.gz IKNCEUHATZSVFM-OALUTQOASA-N 1 3 334.460 0.954 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656075967 440713254 /nfs/dbraw/zinc/71/32/54/440713254.db2.gz BVPKAPPMDRAZHM-GASCZTMLSA-N 1 3 336.480 0.530 20 0 ECADHO O[C@H](C[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)CN1CCCC1 ZINC000629560593 440728902 /nfs/dbraw/zinc/72/89/02/440728902.db2.gz FXIDABIBUNKSMI-VQTJNVASSA-N 1 3 347.503 0.976 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC1CN(C)C1 ZINC000660853293 440743657 /nfs/dbraw/zinc/74/36/57/440743657.db2.gz USCQXDGOQYZFJK-OAHLLOKOSA-N 1 3 339.484 0.132 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)CC1CN(C)C1 ZINC000660853293 440743663 /nfs/dbraw/zinc/74/36/63/440743663.db2.gz USCQXDGOQYZFJK-OAHLLOKOSA-N 1 3 339.484 0.132 20 0 ECADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651104455 440749018 /nfs/dbraw/zinc/74/90/18/440749018.db2.gz WCQPFGYLVKTQIM-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651104455 440749022 /nfs/dbraw/zinc/74/90/22/440749022.db2.gz WCQPFGYLVKTQIM-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@H](COC)C2CCOCC2)CC1 ZINC000661158363 440805252 /nfs/dbraw/zinc/80/52/52/440805252.db2.gz APULZNOOOGFOJH-MRXNPFEDSA-N 1 3 327.469 0.618 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000629804695 440770307 /nfs/dbraw/zinc/77/03/07/440770307.db2.gz HOOOYAYNNZUEHQ-KRWDZBQOSA-N 1 3 346.475 0.569 20 0 ECADHO C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000645314425 440783553 /nfs/dbraw/zinc/78/35/53/440783553.db2.gz WVCFNDZOWBYIDA-ZIAGYGMSSA-N 1 3 337.468 0.398 20 0 ECADHO C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000645314425 440783556 /nfs/dbraw/zinc/78/35/56/440783556.db2.gz WVCFNDZOWBYIDA-ZIAGYGMSSA-N 1 3 337.468 0.398 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656359023 440788524 /nfs/dbraw/zinc/78/85/24/440788524.db2.gz WLQRNVLZUSFQQL-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000656358448 440788749 /nfs/dbraw/zinc/78/87/49/440788749.db2.gz KRLFSKLASWZXCI-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO c1cn(C[C@H]2CCN(CCC[N@@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145304 440798150 /nfs/dbraw/zinc/79/81/50/440798150.db2.gz KIQWJSRUUJZEAC-IRXDYDNUSA-N 1 3 344.467 0.604 20 0 ECADHO c1cn(C[C@H]2CCN(CCC[N@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145304 440798155 /nfs/dbraw/zinc/79/81/55/440798155.db2.gz KIQWJSRUUJZEAC-IRXDYDNUSA-N 1 3 344.467 0.604 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000635349442 440827272 /nfs/dbraw/zinc/82/72/72/440827272.db2.gz WDBQDTYGBNDDIO-CVEARBPZSA-N 1 3 327.469 0.714 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000635349442 440827282 /nfs/dbraw/zinc/82/72/82/440827282.db2.gz WDBQDTYGBNDDIO-CVEARBPZSA-N 1 3 327.469 0.714 20 0 ECADHO CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000645621648 440867421 /nfs/dbraw/zinc/86/74/21/440867421.db2.gz IEZACCJZUGAAJZ-RDJZCZTQSA-N 1 3 344.459 0.892 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000645958609 440957139 /nfs/dbraw/zinc/95/71/39/440957139.db2.gz PMPYHOKYKQSFRE-GDBMZVCRSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000640743270 440977614 /nfs/dbraw/zinc/97/76/14/440977614.db2.gz CYCDOPKAHBSOHO-UHFFFAOYSA-N 1 3 349.435 0.975 20 0 ECADHO O=C1CNCCN1[C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662266087 440999525 /nfs/dbraw/zinc/99/95/25/440999525.db2.gz FAAPUJUGCSLRRH-QGZVFWFLSA-N 1 3 328.460 0.729 20 0 ECADHO Cc1ccc(S(=O)(=O)CCC[NH2+]C2(CO)CCNCC2)cc1 ZINC000662285063 441001965 /nfs/dbraw/zinc/00/19/65/441001965.db2.gz VSKFELCYHAVUJY-UHFFFAOYSA-N 1 3 326.462 0.863 20 0 ECADHO CN1CCC(C[NH2+]Cc2cnc3n2CCC3)(N2CCOCC2)CC1 ZINC000657490626 441010040 /nfs/dbraw/zinc/01/00/40/441010040.db2.gz OQIJOABVCMVYNZ-UHFFFAOYSA-N 1 3 333.480 0.716 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652145355 441018098 /nfs/dbraw/zinc/01/80/98/441018098.db2.gz LOHNGZCJHNJCBB-JYJNAYRXSA-N 1 3 342.484 0.493 20 0 ECADHO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCN(c2ccncc2)CC1 ZINC000662356393 441020390 /nfs/dbraw/zinc/02/03/90/441020390.db2.gz OGCVJYGQIUMBTR-UHFFFAOYSA-N 1 3 341.419 0.560 20 0 ECADHO C[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)CN1CCN(C)CC1 ZINC000652159120 441020768 /nfs/dbraw/zinc/02/07/68/441020768.db2.gz RUGKEIIVULJYAC-BQFCYCMXSA-N 1 3 337.512 0.640 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@H](C)C(=O)NCCN1CCCCC1)[C@H](C)[NH3+] ZINC000646557887 441074078 /nfs/dbraw/zinc/07/40/78/441074078.db2.gz AVPWINFOHTVUAO-RRFJBIMHSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000662445301 441041661 /nfs/dbraw/zinc/04/16/61/441041661.db2.gz RUJAHZADNTWRSO-INIZCTEOSA-N 1 3 338.496 0.764 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662614317 441078487 /nfs/dbraw/zinc/07/84/87/441078487.db2.gz PRTCHOOYTMQDQH-KRWDZBQOSA-N 1 3 339.480 0.762 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000657874435 441080968 /nfs/dbraw/zinc/08/09/68/441080968.db2.gz SKPWDKPRQFPNKJ-UHFFFAOYSA-N 1 3 333.436 0.140 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)CN1CCOCC1 ZINC000636171395 441090533 /nfs/dbraw/zinc/09/05/33/441090533.db2.gz KDLRIYLZUHXBPP-UHFFFAOYSA-N 1 3 328.501 0.345 20 0 ECADHO C[C@H]([NH3+])CNC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000641477985 441128495 /nfs/dbraw/zinc/12/84/95/441128495.db2.gz UWKBPAHNTMCMFP-FUHWJXTLSA-N 1 3 345.491 0.935 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340219190 321024334 /nfs/dbraw/zinc/02/43/34/321024334.db2.gz ZRIDNQMSYMIYDH-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000340252021 321029365 /nfs/dbraw/zinc/02/93/65/321029365.db2.gz FAYDGPBTLUCPTF-LSDHHAIUSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000340252021 321029366 /nfs/dbraw/zinc/02/93/66/321029366.db2.gz FAYDGPBTLUCPTF-LSDHHAIUSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000340263233 321032202 /nfs/dbraw/zinc/03/22/02/321032202.db2.gz HHNGKENLEXROEJ-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000340263512 321032241 /nfs/dbraw/zinc/03/22/41/321032241.db2.gz WWDUAMIECLVBKC-ILXRZTDVSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000340267349 321033194 /nfs/dbraw/zinc/03/31/94/321033194.db2.gz OQGIUDAKKQTBGH-PMPSAXMXSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340348363 321036824 /nfs/dbraw/zinc/03/68/24/321036824.db2.gz SSLAYKILPNKHAO-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO CC(C)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000341240152 321052401 /nfs/dbraw/zinc/05/24/01/321052401.db2.gz NPDOPHGCZABTJM-MRXNPFEDSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000344646573 321158524 /nfs/dbraw/zinc/15/85/24/321158524.db2.gz QNMFIKFEIKHHQD-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000344646573 321158525 /nfs/dbraw/zinc/15/85/25/321158525.db2.gz QNMFIKFEIKHHQD-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1cc(C)n2c(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cnc2n1 ZINC000347050674 321228481 /nfs/dbraw/zinc/22/84/81/321228481.db2.gz RBLOZARRPHPFJJ-AWEZNQCLSA-N 1 3 330.436 0.633 20 0 ECADHO O=C(NCCNc1ccncc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000347512093 321242262 /nfs/dbraw/zinc/24/22/62/321242262.db2.gz OZNBGVOTPKRJDL-OAHLLOKOSA-N 1 3 347.463 0.716 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000347977813 321261919 /nfs/dbraw/zinc/26/19/19/321261919.db2.gz PBQFSZMNUWTQEI-FPCVCCKLSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000347977813 321261921 /nfs/dbraw/zinc/26/19/21/321261921.db2.gz PBQFSZMNUWTQEI-FPCVCCKLSA-N 1 3 338.496 0.822 20 0 ECADHO CN1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@@H]2CCC[C@H]21 ZINC000353526998 321397986 /nfs/dbraw/zinc/39/79/86/321397986.db2.gz CACXAVROTAWTFJ-GBESFXJTSA-N 1 3 338.540 0.839 20 0 ECADHO O=C(N[C@H]1CCN(C2CC2)C1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532618209 322057627 /nfs/dbraw/zinc/05/76/27/322057627.db2.gz QXHKNFRITXOANG-UAGQMJEPSA-N 1 3 336.480 0.900 20 0 ECADHO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000564824851 322396612 /nfs/dbraw/zinc/39/66/12/322396612.db2.gz BKZPHIANDFMXHX-CRAIPNDOSA-N 1 3 334.464 0.285 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000567850278 322601692 /nfs/dbraw/zinc/60/16/92/322601692.db2.gz FBZRXYULEXNFBC-UHFFFAOYSA-N 1 3 343.497 0.434 20 0 ECADHO CC[NH2+]CCCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000567850274 322601699 /nfs/dbraw/zinc/60/16/99/322601699.db2.gz BQNWTDYGMZNGQL-UHFFFAOYSA-N 1 3 331.486 0.339 20 0 ECADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000569455534 322653919 /nfs/dbraw/zinc/65/39/19/322653919.db2.gz JXNOOZXQZSFHAX-OWCLPIDISA-N 1 3 338.496 0.727 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000573840299 322769018 /nfs/dbraw/zinc/76/90/18/322769018.db2.gz PKCMWELVIHBJRC-UHFFFAOYSA-N 1 3 346.435 0.497 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576054181 322800976 /nfs/dbraw/zinc/80/09/76/322800976.db2.gz SUGCOZLAGVZRON-OAGGEKHMSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000577607935 322840565 /nfs/dbraw/zinc/84/05/65/322840565.db2.gz JONREULKPNQQJG-KBPBESRZSA-N 1 3 327.473 0.404 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)N1CCC(C)CC1 ZINC000578122498 322855118 /nfs/dbraw/zinc/85/51/18/322855118.db2.gz XOKKTDISOYIZPI-QXSJWSMHSA-N 1 3 336.480 0.419 20 0 ECADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)cc1 ZINC000578726640 322872462 /nfs/dbraw/zinc/87/24/62/322872462.db2.gz NDKPJNZGPACOGX-CQSZACIVSA-N 1 3 349.479 0.597 20 0 ECADHO C[C@@H](CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C1CC[NH2+]CC1 ZINC000579711567 322904803 /nfs/dbraw/zinc/90/48/03/322904803.db2.gz GDWLJIGWTCLHGB-BBRMVZONSA-N 1 3 334.468 0.926 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333644716 546061937 /nfs/dbraw/zinc/06/19/37/546061937.db2.gz IVOQXVIWTOMMEI-LSDHHAIUSA-N 1 3 339.484 0.323 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000342983164 546088643 /nfs/dbraw/zinc/08/86/43/546088643.db2.gz ACPGRZOZNLRNAZ-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000342983164 546088646 /nfs/dbraw/zinc/08/86/46/546088646.db2.gz ACPGRZOZNLRNAZ-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417749822 546210795 /nfs/dbraw/zinc/21/07/95/546210795.db2.gz JWGQMNQXUFBGND-OWCLPIDISA-N 1 3 325.501 0.829 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)N1CCC(C)CC1 ZINC000621841066 546572509 /nfs/dbraw/zinc/57/25/09/546572509.db2.gz PQXWGDUIANOSST-IIDMSEBBSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621848619 546577292 /nfs/dbraw/zinc/57/72/92/546577292.db2.gz CRXFXVILAOTEQR-HDMKZQKVSA-N 1 3 336.480 0.563 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](N3CCCCC3)C1)C2 ZINC000622027437 546609176 /nfs/dbraw/zinc/60/91/76/546609176.db2.gz CAGMOITXVPYKCK-DAYGRLMNSA-N 1 3 334.464 0.413 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(C2CCOCC2)n1 ZINC000625289710 547062194 /nfs/dbraw/zinc/06/21/94/547062194.db2.gz STIHWGKOKWAEOH-UHFFFAOYSA-N 1 3 337.468 0.800 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000625285804 547062584 /nfs/dbraw/zinc/06/25/84/547062584.db2.gz GXIHIIMXVSGPKJ-INIZCTEOSA-N 1 3 332.448 0.465 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656297866 547439393 /nfs/dbraw/zinc/43/93/93/547439393.db2.gz JTBJCSKEXPCZPV-USXIJHARSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656297866 547439396 /nfs/dbraw/zinc/43/93/96/547439396.db2.gz JTBJCSKEXPCZPV-USXIJHARSA-N 1 3 348.491 0.720 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000668302369 547614934 /nfs/dbraw/zinc/61/49/34/547614934.db2.gz FTLJJZZSQHVHAD-ARFHVFGLSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCN(CC)C1 ZINC000668544865 547682994 /nfs/dbraw/zinc/68/29/94/547682994.db2.gz LUOOLZWQSDASSY-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCN(CC)C1 ZINC000668544865 547682997 /nfs/dbraw/zinc/68/29/97/547682997.db2.gz LUOOLZWQSDASSY-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@@H]2CC(=O)N2)cc1 ZINC000668641017 547710430 /nfs/dbraw/zinc/71/04/30/547710430.db2.gz VCEWYQHSORHYGW-AWEZNQCLSA-N 1 3 330.388 0.339 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000668672606 547721015 /nfs/dbraw/zinc/72/10/15/547721015.db2.gz VKKJYLFINHTACW-HUUCEWRRSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)[C@@H]1CCN(CC)C1 ZINC000668752729 547741575 /nfs/dbraw/zinc/74/15/75/547741575.db2.gz STYSNXIQKBJJLV-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000668776307 547745938 /nfs/dbraw/zinc/74/59/38/547745938.db2.gz DNQRSSDZGVVTER-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000668776307 547745942 /nfs/dbraw/zinc/74/59/42/547745942.db2.gz DNQRSSDZGVVTER-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CN1CCC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000669402939 547885984 /nfs/dbraw/zinc/88/59/84/547885984.db2.gz BEICQFXDRWCZMS-RYUDHWBXSA-N 1 3 337.390 0.216 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccn1 ZINC000669547203 547904824 /nfs/dbraw/zinc/90/48/24/547904824.db2.gz WRFMDZYKEGCCHY-JKSUJKDBSA-N 1 3 347.463 0.915 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccn1 ZINC000669547202 547904982 /nfs/dbraw/zinc/90/49/82/547904982.db2.gz WRFMDZYKEGCCHY-HZPDHXFCSA-N 1 3 347.463 0.915 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccn1 ZINC000669547201 547905268 /nfs/dbraw/zinc/90/52/68/547905268.db2.gz WRFMDZYKEGCCHY-HOTGVXAUSA-N 1 3 347.463 0.915 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C1CC[NH+](C)CC1 ZINC000670433298 548008537 /nfs/dbraw/zinc/00/85/37/548008537.db2.gz RAEOTYVAADMTHM-BMFZPTHFSA-N 1 3 336.480 0.528 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000670436316 548010322 /nfs/dbraw/zinc/01/03/22/548010322.db2.gz ZRZBCYHVXILWOV-FZKCQIBNSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000670983485 548074902 /nfs/dbraw/zinc/07/49/02/548074902.db2.gz HFXAAOMGGZQZME-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672304241 548300748 /nfs/dbraw/zinc/30/07/48/548300748.db2.gz NSAIJBRJDOFCBY-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672307050 548304348 /nfs/dbraw/zinc/30/43/48/548304348.db2.gz JPFGZBPCRVHVED-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672307050 548304351 /nfs/dbraw/zinc/30/43/51/548304351.db2.gz JPFGZBPCRVHVED-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673513175 548503250 /nfs/dbraw/zinc/50/32/50/548503250.db2.gz CIPJKALPHFZSAA-HOTGVXAUSA-N 1 3 347.459 0.908 20 0 ECADHO C[C@@H](C(=O)N[C@H]1CCCN(C)C1)[C@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000682893507 549445581 /nfs/dbraw/zinc/44/55/81/549445581.db2.gz WJCMDOSEVHTYCY-SYMSYNOKSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C(=O)N[C@H]1CCCN(C)C1)[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000682893507 549445586 /nfs/dbraw/zinc/44/55/86/549445586.db2.gz WJCMDOSEVHTYCY-SYMSYNOKSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[C@H](C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000682893507 549445589 /nfs/dbraw/zinc/44/55/89/549445589.db2.gz WJCMDOSEVHTYCY-SYMSYNOKSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[C@H](C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000682893507 549445596 /nfs/dbraw/zinc/44/55/96/549445596.db2.gz WJCMDOSEVHTYCY-SYMSYNOKSA-N 1 3 338.496 0.679 20 0 ECADHO CS[C@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1N(C)C ZINC000759986618 579501740 /nfs/dbraw/zinc/50/17/40/579501740.db2.gz JZBYJLWUUFYTRM-KGLIPLIRSA-N 1 3 340.497 0.954 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2cccn2)nc1 ZINC000728611578 578290009 /nfs/dbraw/zinc/29/00/09/578290009.db2.gz PQTOUIZWZZGFIS-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793697159 578935458 /nfs/dbraw/zinc/93/54/58/578935458.db2.gz HBNLEGSVCNHQIG-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793710539 578936608 /nfs/dbraw/zinc/93/66/08/578936608.db2.gz RWFORWLUXCBHPV-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCCN1CCCO ZINC000840775352 588973491 /nfs/dbraw/zinc/97/34/91/588973491.db2.gz DXKFDAQARGEVSC-HUUCEWRRSA-N 1 3 328.526 0.782 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCCN1CCCO ZINC000840775352 588973492 /nfs/dbraw/zinc/97/34/92/588973492.db2.gz DXKFDAQARGEVSC-HUUCEWRRSA-N 1 3 328.526 0.782 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841029690 588976410 /nfs/dbraw/zinc/97/64/10/588976410.db2.gz YSJFBCDZVZIKKL-UHFFFAOYSA-N 1 3 348.447 0.905 20 0 ECADHO CCN(CCNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1)C1CC1 ZINC000841041146 588976716 /nfs/dbraw/zinc/97/67/16/588976716.db2.gz ASGYOARWZBCNNX-UHFFFAOYSA-N 1 3 334.420 0.563 20 0 ECADHO Cc1ccc(N)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000841102942 588978319 /nfs/dbraw/zinc/97/83/19/588978319.db2.gz DITITUQMEQNDTM-UHFFFAOYSA-N 1 3 335.452 0.468 20 0 ECADHO C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000841725066 588999161 /nfs/dbraw/zinc/99/91/61/588999161.db2.gz JQXIRTWLPIVQMH-CABCVRRESA-N 1 3 339.484 0.357 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000842016279 589008633 /nfs/dbraw/zinc/00/86/33/589008633.db2.gz TVIBRKLREGMKTC-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842015930 589008181 /nfs/dbraw/zinc/00/81/81/589008181.db2.gz PJJXRRJPXPEXIS-CABCVRRESA-N 1 3 326.485 0.809 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000842189354 589019393 /nfs/dbraw/zinc/01/93/93/589019393.db2.gz ODYLTEAOWMAYPF-IBGZPJMESA-N 1 3 346.475 0.693 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000842223515 589021977 /nfs/dbraw/zinc/02/19/77/589021977.db2.gz KJGWXPUEZSDIHT-MRXNPFEDSA-N 1 3 332.448 0.575 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842231408 589022908 /nfs/dbraw/zinc/02/29/08/589022908.db2.gz SDIPBTVSNHRZDF-UHFFFAOYSA-N 1 3 348.491 0.850 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000891536945 586174875 /nfs/dbraw/zinc/17/48/75/586174875.db2.gz XKFGYCLPRQTEEO-ZFWWWQNUSA-N 1 3 339.484 0.498 20 0 ECADHO CCN(C(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000891536204 586175027 /nfs/dbraw/zinc/17/50/27/586175027.db2.gz PUSLDFDLIIATAA-HNNXBMFYSA-N 1 3 339.484 0.323 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891574986 586178484 /nfs/dbraw/zinc/17/84/84/586178484.db2.gz CMWRRXRYXHHGLL-IAGOWNOFSA-N 1 3 332.448 0.721 20 0 ECADHO CN1CCN(CCNC(=O)N2CCCCC[C@H]([NH3+])C2)CC1(C)C ZINC000891881194 586203040 /nfs/dbraw/zinc/20/30/40/586203040.db2.gz UBYJTPXTTKIQRB-HNNXBMFYSA-N 1 3 325.501 0.925 20 0 ECADHO CN1CCN(C2CCN(C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000892057951 586218672 /nfs/dbraw/zinc/21/86/72/586218672.db2.gz SVULENSCLJEFNM-SFHVURJKSA-N 1 3 337.512 0.798 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892360901 586258013 /nfs/dbraw/zinc/25/80/13/586258013.db2.gz SBHURAWTZZXIMX-XHSDSOJGSA-N 1 3 326.485 0.957 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)CC2)C1 ZINC000892444794 586266609 /nfs/dbraw/zinc/26/66/09/586266609.db2.gz RUUKGJYCYUXBAK-ULQDDVLXSA-N 1 3 337.512 0.925 20 0 ECADHO CN1CC[C@@]2(CCN(C(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)C1 ZINC000892759461 586288437 /nfs/dbraw/zinc/28/84/37/586288437.db2.gz ONIUIPPNHBVGOG-CRAIPNDOSA-N 1 3 336.480 0.882 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3CN2)C[C@H]1C[NH3+] ZINC000892789069 586290986 /nfs/dbraw/zinc/29/09/86/586290986.db2.gz KQTRGGRZZIDVAX-BRWVUGGUSA-N 1 3 332.448 0.706 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000892789691 586291323 /nfs/dbraw/zinc/29/13/23/586291323.db2.gz RRDPJZUOGGJFCH-ROUUACIJSA-N 1 3 343.475 0.390 20 0 ECADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000897558362 586344506 /nfs/dbraw/zinc/34/45/06/586344506.db2.gz YYPQBPIZQWDBDE-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000897558362 586344509 /nfs/dbraw/zinc/34/45/09/586344509.db2.gz YYPQBPIZQWDBDE-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO CC(C)(O)CN1CCC([NH2+]CCS(=O)(=O)N2CCCC2)CC1 ZINC000897828595 586373444 /nfs/dbraw/zinc/37/34/44/586373444.db2.gz ZGWHACLXGBMILU-UHFFFAOYSA-N 1 3 333.498 0.237 20 0 ECADHO COC(=O)[C@@H]1CC[C@@H](NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000894854073 586415813 /nfs/dbraw/zinc/41/58/13/586415813.db2.gz CMHLOOMEFLKQFG-HUUCEWRRSA-N 1 3 325.453 0.910 20 0 ECADHO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000898356240 586417944 /nfs/dbraw/zinc/41/79/44/586417944.db2.gz MHCHHJXHCFKSBD-GOEBONIOSA-N 1 3 325.453 0.900 20 0 ECADHO C[C@H]1[C@H](C)N(C(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)[C@@H]1CCCN1C ZINC000898987575 586460858 /nfs/dbraw/zinc/46/08/58/586460858.db2.gz OTTXENQNODMMMQ-VGWMRTNUSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@H]1[C@H](C)N(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)[C@@H]1CCCN1C ZINC000898987575 586460859 /nfs/dbraw/zinc/46/08/59/586460859.db2.gz OTTXENQNODMMMQ-VGWMRTNUSA-N 1 3 336.480 0.623 20 0 ECADHO C[NH+]1CCC(CNC(=S)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000899666880 586494256 /nfs/dbraw/zinc/49/42/56/586494256.db2.gz NENQPVFBHUYOGT-JKSUJKDBSA-N 1 3 340.537 0.734 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843261971 589058314 /nfs/dbraw/zinc/05/83/14/589058314.db2.gz POGMXJBOWYZQKJ-GJZGRUSLSA-N 1 3 326.485 0.858 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867324205 589058962 /nfs/dbraw/zinc/05/89/62/589058962.db2.gz UWQLEFDQHBSMPW-HZPDHXFCSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867324205 589058964 /nfs/dbraw/zinc/05/89/64/589058964.db2.gz UWQLEFDQHBSMPW-HZPDHXFCSA-N 1 3 338.496 0.585 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000900957069 586678976 /nfs/dbraw/zinc/67/89/76/586678976.db2.gz ZIOJZNBFBVONMC-SFHVURJKSA-N 1 3 341.496 0.793 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)C1 ZINC000901077804 586690194 /nfs/dbraw/zinc/69/01/94/586690194.db2.gz OMUBRKZAYPOGAA-FUHWJXTLSA-N 1 3 339.480 0.547 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000843364428 589064049 /nfs/dbraw/zinc/06/40/49/589064049.db2.gz CEKBLHRYEBDNCF-UHFFFAOYSA-N 1 3 338.452 0.363 20 0 ECADHO CC[C@@H]1CCCCN1C(=O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903490901 586778975 /nfs/dbraw/zinc/77/89/75/586778975.db2.gz MFQHEMKCRQISBG-BORJPKMPSA-N 1 3 337.464 0.990 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1[C@H](C)CCC[C@@H]1C)C2 ZINC000903490854 586779078 /nfs/dbraw/zinc/77/90/78/586779078.db2.gz KGOYIPBKIVASPT-KCTHJMFYSA-N 1 3 337.464 0.988 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC1CCS(=O)(=O)CC1)C2 ZINC000903493799 586779540 /nfs/dbraw/zinc/77/95/40/586779540.db2.gz WVRZCIARVIKDBY-GUTXKFCHSA-N 1 3 330.450 0.024 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)N1CCCCCC1)C2 ZINC000903491788 586779575 /nfs/dbraw/zinc/77/95/75/586779575.db2.gz AWUAIOOJKXTYIZ-AFIMGQEJSA-N 1 3 337.464 0.990 20 0 ECADHO CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903725307 586802197 /nfs/dbraw/zinc/80/21/97/586802197.db2.gz YQHOAMFDCBOCIS-SOUVJXGZSA-N 1 3 331.482 0.016 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1)[C@H]1CCC[NH2+]1 ZINC000903740494 586806234 /nfs/dbraw/zinc/80/62/34/586806234.db2.gz HRMZWERIWMIMNR-NNXHMXCWSA-N 1 3 337.464 0.371 20 0 ECADHO COC(=O)c1cn([C@@H]2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC000903759531 586807914 /nfs/dbraw/zinc/80/79/14/586807914.db2.gz RBUJPLOQBGDFGK-XJKCOSOUSA-N 1 3 335.408 0.080 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@H]1N ZINC000903758663 586812317 /nfs/dbraw/zinc/81/23/17/586812317.db2.gz ISRAXPXWKOFANV-NUEKZKHPSA-N 1 3 348.491 0.657 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@H]1N ZINC000903758663 586812320 /nfs/dbraw/zinc/81/23/20/586812320.db2.gz ISRAXPXWKOFANV-NUEKZKHPSA-N 1 3 348.491 0.657 20 0 ECADHO C[C@H](NC[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc(S(N)(=O)=O)cc1 ZINC000903790945 586813222 /nfs/dbraw/zinc/81/32/22/586813222.db2.gz JLPZMGKHMBHCFP-AAEUAGOBSA-N 1 3 325.434 0.363 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000903783444 586814936 /nfs/dbraw/zinc/81/49/36/586814936.db2.gz SQOLKFILAZMJCB-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)c1ncc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cn1 ZINC000903980764 586828497 /nfs/dbraw/zinc/82/84/97/586828497.db2.gz ZHPAFXQMAHHAKL-CALCHBBNSA-N 1 3 330.480 0.943 20 0 ECADHO CN(C)c1ncc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cn1 ZINC000903980764 586828499 /nfs/dbraw/zinc/82/84/99/586828499.db2.gz ZHPAFXQMAHHAKL-CALCHBBNSA-N 1 3 330.480 0.943 20 0 ECADHO CN(C)c1ncc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cn1 ZINC000903980764 586828501 /nfs/dbraw/zinc/82/85/01/586828501.db2.gz ZHPAFXQMAHHAKL-CALCHBBNSA-N 1 3 330.480 0.943 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@]43CN)CC[C@@H]21 ZINC000904970823 586851722 /nfs/dbraw/zinc/85/17/22/586851722.db2.gz HYCYYNMQUWAZJP-BSXFFOKHSA-N 1 3 334.464 0.269 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@]43CN)CC[C@@H]21 ZINC000904970823 586851724 /nfs/dbraw/zinc/85/17/24/586851724.db2.gz HYCYYNMQUWAZJP-BSXFFOKHSA-N 1 3 334.464 0.269 20 0 ECADHO NC[C@]12CC[C@H]1CCCN2C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000904974527 586852718 /nfs/dbraw/zinc/85/27/18/586852718.db2.gz SWBBCEWYZGAIOB-GPMSIDNRSA-N 1 3 348.491 0.661 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[C@]21CN ZINC000905005785 586858990 /nfs/dbraw/zinc/85/89/90/586858990.db2.gz GFNYGFPCAJVHHT-VKJFTORMSA-N 1 3 336.480 0.659 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[C@]21CN ZINC000905005785 586858993 /nfs/dbraw/zinc/85/89/93/586858993.db2.gz GFNYGFPCAJVHHT-VKJFTORMSA-N 1 3 336.480 0.659 20 0 ECADHO CN1CCC([NH+]2CCC(NC[C@H](O)C3(O)CCCC3)CC2)CC1 ZINC000905078596 586866956 /nfs/dbraw/zinc/86/69/56/586866956.db2.gz AGMOHBNYUAVCFZ-KRWDZBQOSA-N 1 3 325.497 0.801 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905081011 586867296 /nfs/dbraw/zinc/86/72/96/586867296.db2.gz GEFRFPNGWREOLW-HOTGVXAUSA-N 1 3 341.496 0.467 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905081011 586867297 /nfs/dbraw/zinc/86/72/97/586867297.db2.gz GEFRFPNGWREOLW-HOTGVXAUSA-N 1 3 341.496 0.467 20 0 ECADHO CN1CCN(C[C@H](O)CN[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000905554616 586900573 /nfs/dbraw/zinc/90/05/73/586900573.db2.gz YGYYHKHEVBADQK-QZTJIDSGSA-N 1 3 335.496 0.272 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000905926339 586923096 /nfs/dbraw/zinc/92/30/96/586923096.db2.gz GHEOOMPFIDUTLM-HNNXBMFYSA-N 1 3 327.469 0.042 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906646522 586961252 /nfs/dbraw/zinc/96/12/52/586961252.db2.gz SKNMISLMFDJBCE-CQSZACIVSA-N 1 3 347.463 0.226 20 0 ECADHO CN1CCN(CC2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000907356055 587036904 /nfs/dbraw/zinc/03/69/04/587036904.db2.gz USTJCQFONSMGLS-UHFFFAOYSA-N 1 3 334.508 0.958 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCc2ccc(CC[NH3+])cc2)CC1=O ZINC000844165208 589097316 /nfs/dbraw/zinc/09/73/16/589097316.db2.gz URKPCGGMZGZAMB-INIZCTEOSA-N 1 3 332.448 0.214 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000818638020 587442160 /nfs/dbraw/zinc/44/21/60/587442160.db2.gz OJUCADFQXYOJMW-HZPDHXFCSA-N 1 3 346.431 0.372 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000844189403 589101501 /nfs/dbraw/zinc/10/15/01/589101501.db2.gz MKCGKPDJKJIELW-DQPZFDDXSA-N 1 3 338.496 0.999 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827220824 588105234 /nfs/dbraw/zinc/10/52/34/588105234.db2.gz VBPBHFWWEGUWPD-HZPDHXFCSA-N 1 3 327.469 0.524 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827220824 588105235 /nfs/dbraw/zinc/10/52/35/588105235.db2.gz VBPBHFWWEGUWPD-HZPDHXFCSA-N 1 3 327.469 0.524 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000828285525 588169811 /nfs/dbraw/zinc/16/98/11/588169811.db2.gz WAKAWJCGCBOBGX-SOUVJXGZSA-N 1 3 338.496 0.964 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cccc(CN)c2)CC1 ZINC000829069961 588314824 /nfs/dbraw/zinc/31/48/24/588314824.db2.gz JPJGZSSITZUVIK-UHFFFAOYSA-N 1 3 332.448 0.818 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NCCCCCC[NH3+])CC2)C1 ZINC000831264119 588417588 /nfs/dbraw/zinc/41/75/88/588417588.db2.gz UIHYKNYSCPKQBN-INIZCTEOSA-N 1 3 325.501 0.927 20 0 ECADHO CN(C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CCC([NH3+])CC1 ZINC000848616383 589303999 /nfs/dbraw/zinc/30/39/99/589303999.db2.gz KVCIDMLGYBANJZ-SSHXOBKSSA-N 1 3 336.480 0.848 20 0 ECADHO Cn1nnnc1CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849075742 589319594 /nfs/dbraw/zinc/31/95/94/589319594.db2.gz RNXGUKHPFPMHKF-UHFFFAOYSA-N 1 3 342.451 0.531 20 0 ECADHO C[C@H]1CN(C(=[NH2+])NCCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000849094071 589319925 /nfs/dbraw/zinc/31/99/25/589319925.db2.gz ANPWKHBHDSZLFL-KBPBESRZSA-N 1 3 325.457 0.174 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851872783 589430120 /nfs/dbraw/zinc/43/01/20/589430120.db2.gz NRWIKZLNFABTTL-LJQANCHMSA-N 1 3 348.491 0.317 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000852744300 589509855 /nfs/dbraw/zinc/50/98/55/589509855.db2.gz YDQQJQKCPAEKRF-KBPBESRZSA-N 1 3 340.468 0.735 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)c1cnnn1C1CC[NH2+]CC1 ZINC000852829896 589516210 /nfs/dbraw/zinc/51/62/10/589516210.db2.gz PRWWQVQLRILFHP-MRXNPFEDSA-N 1 3 340.431 0.819 20 0 ECADHO C[NH+](C)CCCOc1ccc(CNC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000852866602 589519974 /nfs/dbraw/zinc/51/99/74/589519974.db2.gz ZPFLIDDXTJGLAC-HNNXBMFYSA-N 1 3 334.420 0.737 20 0 ECADHO CCN1CCC[C@H]1CNC(=S)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853044512 589529979 /nfs/dbraw/zinc/52/99/79/589529979.db2.gz XTDUFMOUPPITRA-JKSUJKDBSA-N 1 3 340.537 0.876 20 0 ECADHO CCN1CCC[C@H]1CNC(=S)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853044512 589529980 /nfs/dbraw/zinc/52/99/80/589529980.db2.gz XTDUFMOUPPITRA-JKSUJKDBSA-N 1 3 340.537 0.876 20 0 ECADHO CN1CCC(NC(=S)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000853042707 589530163 /nfs/dbraw/zinc/53/01/63/589530163.db2.gz BCBZUJOLKASAGL-OAHLLOKOSA-N 1 3 326.510 0.486 20 0 ECADHO CN1CCC(NC(=S)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000853042707 589530164 /nfs/dbraw/zinc/53/01/64/589530164.db2.gz BCBZUJOLKASAGL-OAHLLOKOSA-N 1 3 326.510 0.486 20 0 ECADHO Cc1nnc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000854067355 589570386 /nfs/dbraw/zinc/57/03/86/589570386.db2.gz ZKYLTCLABKNWRL-LBPRGKRZSA-N 1 3 342.513 0.960 20 0 ECADHO Cc1nnc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000854067355 589570387 /nfs/dbraw/zinc/57/03/87/589570387.db2.gz ZKYLTCLABKNWRL-LBPRGKRZSA-N 1 3 342.513 0.960 20 0 ECADHO CN(C)C[C@@H]1CN(c2ncccc2S(C)(=O)=O)C[C@H]1CN(C)C ZINC000866012029 589714789 /nfs/dbraw/zinc/71/47/89/589714789.db2.gz OUTGICWVXWQNJU-ZIAGYGMSSA-N 1 3 340.493 0.661 20 0 ECADHO CN(C)C[C@@H]1CN(c2ncccc2S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000866012029 589714790 /nfs/dbraw/zinc/71/47/90/589714790.db2.gz OUTGICWVXWQNJU-ZIAGYGMSSA-N 1 3 340.493 0.661 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(F)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000867475539 589790452 /nfs/dbraw/zinc/79/04/52/589790452.db2.gz GLINSQZSEQNPHV-UHFFFAOYSA-N 1 3 342.459 0.430 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(F)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000867475539 589790454 /nfs/dbraw/zinc/79/04/54/589790454.db2.gz GLINSQZSEQNPHV-UHFFFAOYSA-N 1 3 342.459 0.430 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867742329 589834448 /nfs/dbraw/zinc/83/44/48/589834448.db2.gz IIJPOVJTSZUTMI-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c2)CC1 ZINC000861541477 589861757 /nfs/dbraw/zinc/86/17/57/589861757.db2.gz CNMXDXZNESVETO-CQSZACIVSA-N 1 3 347.463 0.573 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861731121 589882907 /nfs/dbraw/zinc/88/29/07/589882907.db2.gz QDJIRFKAXAZUKM-UONOGXRCSA-N 1 3 326.485 0.809 20 0 ECADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000868261063 589886887 /nfs/dbraw/zinc/88/68/87/589886887.db2.gz MFGQTMWJBRNCCB-AWEZNQCLSA-N 1 3 348.447 0.306 20 0 ECADHO CNCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000868310471 589891546 /nfs/dbraw/zinc/89/15/46/589891546.db2.gz VOTFMXSBYBEJKB-GOEBONIOSA-N 1 3 330.432 0.897 20 0 ECADHO CNCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000868310471 589891548 /nfs/dbraw/zinc/89/15/48/589891548.db2.gz VOTFMXSBYBEJKB-GOEBONIOSA-N 1 3 330.432 0.897 20 0 ECADHO C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCCC[C@H]3CN)CC2)CC1 ZINC000868385234 589899363 /nfs/dbraw/zinc/89/93/63/589899363.db2.gz NHJCDDXFGCJXRS-HNNXBMFYSA-N 1 3 336.480 0.661 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868392183 589901211 /nfs/dbraw/zinc/90/12/11/589901211.db2.gz UQLBMMIIPAJCOI-KBXCAEBGSA-N 1 3 338.496 0.763 20 0 ECADHO C[C@H](C(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1)[C@@H](C)S(C)(=O)=O ZINC000870018524 589989873 /nfs/dbraw/zinc/98/98/73/589989873.db2.gz CBNQDTLCDPHXLB-GBJTYRQASA-N 1 3 347.525 0.253 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000863760051 590035411 /nfs/dbraw/zinc/03/54/11/590035411.db2.gz CIOCOTZILLKXCK-GFCCVEGCSA-N 1 3 326.466 0.444 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998478 590044014 /nfs/dbraw/zinc/04/40/14/590044014.db2.gz CQPCEGCERNBKCM-BARDWOONSA-N 1 3 336.436 0.254 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000888561062 590055358 /nfs/dbraw/zinc/05/53/58/590055358.db2.gz JOSMQFWROJCBNO-GJZGRUSLSA-N 1 3 339.484 0.622 20 0 ECADHO Cn1cnc2cc(CN3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)ccc21 ZINC000872256543 590109131 /nfs/dbraw/zinc/10/91/31/590109131.db2.gz WCIMRKITUWJTCW-XKQJLSEDSA-N 1 3 341.415 0.940 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872282912 590110254 /nfs/dbraw/zinc/11/02/54/590110254.db2.gz YBFYEVVYBSZBQR-CVEARBPZSA-N 1 3 338.496 0.907 20 0 ECADHO COCC[C@@H](C[NH2+]CC1(O)CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000865472760 590146810 /nfs/dbraw/zinc/14/68/10/590146810.db2.gz FTUJJZRBYAQDHJ-AWEZNQCLSA-N 1 3 345.484 0.963 20 0 ECADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)C1 ZINC000873219488 590186704 /nfs/dbraw/zinc/18/67/04/590186704.db2.gz INTGLICBQMDJHD-WBVHZDCISA-N 1 3 339.480 0.844 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000875060708 590266604 /nfs/dbraw/zinc/26/66/04/590266604.db2.gz DOLSADDWLMFIIZ-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000875060708 590266606 /nfs/dbraw/zinc/26/66/06/590266606.db2.gz DOLSADDWLMFIIZ-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCC1(C)C ZINC000875177669 590278345 /nfs/dbraw/zinc/27/83/45/590278345.db2.gz HUFLRIRRJHPAQY-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCC1(C)C ZINC000875177669 590278348 /nfs/dbraw/zinc/27/83/48/590278348.db2.gz HUFLRIRRJHPAQY-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000875712196 590323585 /nfs/dbraw/zinc/32/35/85/590323585.db2.gz CRXKVVDTYROVAP-JNNCMOEMSA-N 1 3 338.496 0.981 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000875712196 590323587 /nfs/dbraw/zinc/32/35/87/590323587.db2.gz CRXKVVDTYROVAP-JNNCMOEMSA-N 1 3 338.496 0.981 20 0 ECADHO COc1cc(CNC(=O)[C@@H](N)CN(C)C)ccc1OCC[NH+](C)C ZINC000876731138 590405475 /nfs/dbraw/zinc/40/54/75/590405475.db2.gz NUEGLPGRXBZQKU-AWEZNQCLSA-N 1 3 338.452 0.141 20 0 ECADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000876749802 590409060 /nfs/dbraw/zinc/40/90/60/590409060.db2.gz QQXNTDVQUVOFQA-GUJPZIPKSA-N 1 3 336.480 0.457 20 0 ECADHO CCN1CCN(CCC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000877331406 590458101 /nfs/dbraw/zinc/45/81/01/590458101.db2.gz OIDDJMBJHWKJRK-INIZCTEOSA-N 1 3 338.496 0.289 20 0 ECADHO CS[C@H]1CN(CC(=O)NC2CCN(C)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000878429713 590520933 /nfs/dbraw/zinc/52/09/33/590520933.db2.gz NGUXZXROMLNEGB-HOTGVXAUSA-N 1 3 340.537 0.708 20 0 ECADHO C[NH+]1CCC(NC(=O)CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000878868760 590548167 /nfs/dbraw/zinc/54/81/67/590548167.db2.gz VVLXGQAWFAZYHX-DOTOQJQBSA-N 1 3 339.480 0.497 20 0 ECADHO COC(=O)CCN1CC[C@@H](N2CCC3(CC2)CC[NH+](C)CC3)C1=O ZINC000879250460 590573824 /nfs/dbraw/zinc/57/38/24/590573824.db2.gz FIYUKXTVCGMCDS-OAHLLOKOSA-N 1 3 337.464 0.958 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000130551940 590598420 /nfs/dbraw/zinc/59/84/20/590598420.db2.gz BOKKZSAWQCIKBC-UHFFFAOYSA-N 1 3 349.479 0.643 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884889423 590643781 /nfs/dbraw/zinc/64/37/81/590643781.db2.gz GLBFKPQCAUFAJW-IAGOWNOFSA-N 1 3 346.475 0.663 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659339 590646218 /nfs/dbraw/zinc/64/62/18/590646218.db2.gz FUHFSJVMSGNBGT-OAHLLOKOSA-N 1 3 336.480 0.720 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@@H]21 ZINC000883660810 590646941 /nfs/dbraw/zinc/64/69/41/590646941.db2.gz VFKQNKJLWUGQBU-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@@H]21 ZINC000883660810 590646945 /nfs/dbraw/zinc/64/69/45/590646945.db2.gz VFKQNKJLWUGQBU-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCN1C ZINC000884969072 590657753 /nfs/dbraw/zinc/65/77/53/590657753.db2.gz YVVLSHXZLJNMAQ-KFWWJZLASA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885005503 590666848 /nfs/dbraw/zinc/66/68/48/590666848.db2.gz WRPKMDKOQNNQTJ-LXTVHRRPSA-N 1 3 336.480 0.622 20 0 ECADHO COCC[C@H](N)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000884206595 590775172 /nfs/dbraw/zinc/77/51/72/590775172.db2.gz ZEXFGKDDNJUXRN-JYJNAYRXSA-N 1 3 326.485 0.367 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000884214064 590776995 /nfs/dbraw/zinc/77/69/95/590776995.db2.gz SKLCPFWPPHCRED-GOEBONIOSA-N 1 3 330.432 0.875 20 0 ECADHO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000884214064 590776997 /nfs/dbraw/zinc/77/69/97/590776997.db2.gz SKLCPFWPPHCRED-GOEBONIOSA-N 1 3 330.432 0.875 20 0 ECADHO COCC[N@H+]1CC[C@H](NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000884214064 590776999 /nfs/dbraw/zinc/77/69/99/590776999.db2.gz SKLCPFWPPHCRED-GOEBONIOSA-N 1 3 330.432 0.875 20 0 ECADHO COCC[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000884236963 590786745 /nfs/dbraw/zinc/78/67/45/590786745.db2.gz MLBOYFPFFIVPET-OAHLLOKOSA-N 1 3 335.452 0.914 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccnc(N3CCNCC3)c1)C2 ZINC000884442454 590829254 /nfs/dbraw/zinc/82/92/54/590829254.db2.gz FWYINXSLMGGIRD-HDICACEKSA-N 1 3 329.448 0.563 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884576140 590861844 /nfs/dbraw/zinc/86/18/44/590861844.db2.gz ATXHVGJKQSQBNK-OLZOCXBDSA-N 1 3 346.422 0.196 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884617251 590872601 /nfs/dbraw/zinc/87/26/01/590872601.db2.gz KJYUEGFGJMAUKY-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000884706780 590903532 /nfs/dbraw/zinc/90/35/32/590903532.db2.gz NOVVZPIALYKSIT-OAHLLOKOSA-N 1 3 336.480 0.707 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000884715827 590905940 /nfs/dbraw/zinc/90/59/40/590905940.db2.gz FYECGISTDYGTFU-DOTOQJQBSA-N 1 3 342.443 0.459 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000884715827 590905942 /nfs/dbraw/zinc/90/59/42/590905942.db2.gz FYECGISTDYGTFU-DOTOQJQBSA-N 1 3 342.443 0.459 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884715929 590906019 /nfs/dbraw/zinc/90/60/19/590906019.db2.gz IJPQACSPIIYDGF-LSDHHAIUSA-N 1 3 345.447 0.377 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884782112 590921386 /nfs/dbraw/zinc/92/13/86/590921386.db2.gz ASUHBNOUNAPHAW-DJIMGWMZSA-N 1 3 348.491 0.863 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884787047 590923382 /nfs/dbraw/zinc/92/33/82/590923382.db2.gz FHMYQJUFHVKLRX-KBXCAEBGSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C[NH2+]1 ZINC000884818208 590928076 /nfs/dbraw/zinc/92/80/76/590928076.db2.gz YHFQZTOGHOKYBD-KFWWJZLASA-N 1 3 345.447 0.375 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC000887091248 590941974 /nfs/dbraw/zinc/94/19/74/590941974.db2.gz FTZGWSOTNPDDDL-KKUMJFAQSA-N 1 3 345.447 0.314 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C1 ZINC000887091249 590942470 /nfs/dbraw/zinc/94/24/70/590942470.db2.gz FTZGWSOTNPDDDL-QLFBSQMISA-N 1 3 345.447 0.314 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)C2CNC2)cc1 ZINC000923653654 611336591 /nfs/dbraw/zinc/33/65/91/611336591.db2.gz BVTOXXFEXUPWKZ-GJZGRUSLSA-N 1 3 325.434 0.032 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(CCc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000924586291 611416058 /nfs/dbraw/zinc/41/60/58/611416058.db2.gz DPGKYFMSQXLOCZ-INIZCTEOSA-N 1 3 348.447 0.652 20 0 ECADHO COCC[N@@H+]1CCC[C@H]1CN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924583130 611416166 /nfs/dbraw/zinc/41/61/66/611416166.db2.gz XHCOCYJCHFUKKZ-GJZGRUSLSA-N 1 3 338.452 0.504 20 0 ECADHO COCC[N@H+]1CCC[C@H]1CN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924583130 611416170 /nfs/dbraw/zinc/41/61/70/611416170.db2.gz XHCOCYJCHFUKKZ-GJZGRUSLSA-N 1 3 338.452 0.504 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2CC1)N(C)C ZINC000946784273 611475770 /nfs/dbraw/zinc/47/57/70/611475770.db2.gz FKOXPTYAHYKUIU-WCVJEAGWSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2CC1)N(C)C ZINC000946784273 611475772 /nfs/dbraw/zinc/47/57/72/611475772.db2.gz FKOXPTYAHYKUIU-WCVJEAGWSA-N 1 3 338.496 0.632 20 0 ECADHO O=C(CN1CCCC1)N1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000946802130 611489422 /nfs/dbraw/zinc/48/94/22/611489422.db2.gz YQVVVIWMWQKQHM-QGZVFWFLSA-N 1 3 348.491 0.531 20 0 ECADHO Cn1ccn2c(CCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)nnc2c1=O ZINC000925773420 611499505 /nfs/dbraw/zinc/49/95/05/611499505.db2.gz NIXQUQXUJWQQJY-SOUVJXGZSA-N 1 3 344.463 0.871 20 0 ECADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857469 611504414 /nfs/dbraw/zinc/50/44/14/611504414.db2.gz ZWXXUTNOZQFCRS-HZSPNIEDSA-N 1 3 344.477 0.617 20 0 ECADHO C(CN1CC[C@@H](C2OCCO2)C1)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000311 611591909 /nfs/dbraw/zinc/59/19/09/611591909.db2.gz CBTPVKDSSDEXLK-HUUCEWRRSA-N 1 3 326.437 0.766 20 0 ECADHO C(CN1CC[C@@H](C2OCCO2)C1)C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000311 611591911 /nfs/dbraw/zinc/59/19/11/611591911.db2.gz CBTPVKDSSDEXLK-HUUCEWRRSA-N 1 3 326.437 0.766 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000927884496 611651196 /nfs/dbraw/zinc/65/11/96/611651196.db2.gz WTQJMYRKANOACX-CYBMUJFWSA-N 1 3 348.447 0.893 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000932715376 611658546 /nfs/dbraw/zinc/65/85/46/611658546.db2.gz JMMUVEDQPRXHKJ-INIZCTEOSA-N 1 3 340.512 0.487 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@@H+]1C ZINC000933847658 608777825 /nfs/dbraw/zinc/77/78/25/608777825.db2.gz LHOOKRWNWDXEND-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@H+]1C ZINC000933847658 608777827 /nfs/dbraw/zinc/77/78/27/608777827.db2.gz LHOOKRWNWDXEND-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC000947255356 608905428 /nfs/dbraw/zinc/90/54/28/608905428.db2.gz JYKCLBNNESBFMR-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC000947251429 608946448 /nfs/dbraw/zinc/94/64/48/608946448.db2.gz MJLDEDSTXIENAD-FVQBIDKESA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC000947251429 608946450 /nfs/dbraw/zinc/94/64/50/608946450.db2.gz MJLDEDSTXIENAD-FVQBIDKESA-N 1 3 338.496 0.774 20 0 ECADHO CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000936082917 609069768 /nfs/dbraw/zinc/06/97/68/609069768.db2.gz JIHCJJAFDGWAOL-INIZCTEOSA-N 1 3 336.480 0.482 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)N[C@H](CO)CN2CCCC2)[C@@H](c2ccccc2)C1 ZINC000908202774 609647230 /nfs/dbraw/zinc/64/72/30/609647230.db2.gz KDOOAEXLMWYHIC-KSZLIROESA-N 1 3 331.460 0.905 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N[C@H](CO)CN2CCCC2)[C@@H](c2ccccc2)C1 ZINC000908202774 609647231 /nfs/dbraw/zinc/64/72/31/609647231.db2.gz KDOOAEXLMWYHIC-KSZLIROESA-N 1 3 331.460 0.905 20 0 ECADHO CN1CCC(NC(=S)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000920307107 609679467 /nfs/dbraw/zinc/67/94/67/609679467.db2.gz GCYYIHYSCINFJY-UHFFFAOYSA-N 1 3 339.553 0.669 20 0 ECADHO CCO[C@@H](CNC(=O)NC[C@H](C)CN1CCN(C)CC1)C[NH+](C)C ZINC000920453353 609682656 /nfs/dbraw/zinc/68/26/56/609682656.db2.gz ZFESYVGIFSKALP-HOTGVXAUSA-N 1 3 343.516 0.136 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)CCC1 ZINC000938309873 609725626 /nfs/dbraw/zinc/72/56/26/609725626.db2.gz UUYGOEZSXPUJRQ-HNNXBMFYSA-N 1 3 348.491 0.816 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000938318996 609733148 /nfs/dbraw/zinc/73/31/48/609733148.db2.gz BVVIRERRJHIKFH-GJZGRUSLSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948743605 611710423 /nfs/dbraw/zinc/71/04/23/611710423.db2.gz ZDPFDBJTJWPCGR-HOTGVXAUSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C1=CC[N@H+](C)CC1 ZINC000911218812 609828242 /nfs/dbraw/zinc/82/82/42/609828242.db2.gz LNIJGUJBPIKNLV-CSMYWGQOSA-N 1 3 342.443 0.494 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C1=CC[N@@H+](C)CC1 ZINC000911218812 609828243 /nfs/dbraw/zinc/82/82/43/609828243.db2.gz LNIJGUJBPIKNLV-CSMYWGQOSA-N 1 3 342.443 0.494 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911324553 609847678 /nfs/dbraw/zinc/84/76/78/609847678.db2.gz FPNZKZUADSWGQE-MDZRGWNJSA-N 1 3 348.491 0.864 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000911431769 609871075 /nfs/dbraw/zinc/87/10/75/609871075.db2.gz HUCDYGVTSQDABM-RDTXWAMCSA-N 1 3 336.480 0.483 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000911532467 609886554 /nfs/dbraw/zinc/88/65/54/609886554.db2.gz LVEVLLMGCLWSMG-KDOFPFPSSA-N 1 3 336.480 0.564 20 0 ECADHO CCN1CCN(CCNC(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000916016810 609929010 /nfs/dbraw/zinc/92/90/10/609929010.db2.gz XGACWRLDZXRTQW-HNNXBMFYSA-N 1 3 327.542 0.572 20 0 ECADHO CCN1CCN(CCNC(=S)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000916016810 609929011 /nfs/dbraw/zinc/92/90/11/609929011.db2.gz XGACWRLDZXRTQW-HNNXBMFYSA-N 1 3 327.542 0.572 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNC(=O)N1CCCC1 ZINC000912305178 609945966 /nfs/dbraw/zinc/94/59/66/609945966.db2.gz ULCMQVMHHALESE-AWEZNQCLSA-N 1 3 327.473 0.180 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNC(=O)N1CCCC1 ZINC000912305178 609945968 /nfs/dbraw/zinc/94/59/68/609945968.db2.gz ULCMQVMHHALESE-AWEZNQCLSA-N 1 3 327.473 0.180 20 0 ECADHO Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)n1 ZINC000939209993 610115811 /nfs/dbraw/zinc/11/58/11/610115811.db2.gz KRKWNLDSNHMUJH-MLGOLLRUSA-N 1 3 330.436 0.902 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000940420540 610280996 /nfs/dbraw/zinc/28/09/96/610280996.db2.gz GKICUQMORDKVPN-BZUAXINKSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000940420540 610280997 /nfs/dbraw/zinc/28/09/97/610280997.db2.gz GKICUQMORDKVPN-BZUAXINKSA-N 1 3 336.480 0.671 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000941643180 610436524 /nfs/dbraw/zinc/43/65/24/610436524.db2.gz LSBPQJBEJLYPPB-HUUCEWRRSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000942432777 610457955 /nfs/dbraw/zinc/45/79/55/610457955.db2.gz UHBDIWIDLLOESY-LSDHHAIUSA-N 1 3 334.464 0.141 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000941305328 610657513 /nfs/dbraw/zinc/65/75/13/610657513.db2.gz KIXFRPNOBGKWQQ-HZPDHXFCSA-N 1 3 338.496 0.632 20 0 ECADHO CN(C(=O)NCCCc1nc[nH]n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000923136924 611207261 /nfs/dbraw/zinc/20/72/61/611207261.db2.gz GSXOWMWICOWXLF-OAHLLOKOSA-N 1 3 349.483 0.547 20 0 ECADHO CN(C(=O)NCCCc1nc[nH]n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000923136924 611207263 /nfs/dbraw/zinc/20/72/63/611207263.db2.gz GSXOWMWICOWXLF-OAHLLOKOSA-N 1 3 349.483 0.547 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000923279450 611223873 /nfs/dbraw/zinc/22/38/73/611223873.db2.gz AYFGFDVTFMOZIS-SWLSCSKDSA-N 1 3 327.375 0.785 20 0 ECADHO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)N2CCNCC2)cc1 ZINC000923571599 611264865 /nfs/dbraw/zinc/26/48/65/611264865.db2.gz RKQUIMIPNXPAGX-OAHLLOKOSA-N 1 3 326.466 0.549 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2CC1 ZINC000946518363 611297417 /nfs/dbraw/zinc/29/74/17/611297417.db2.gz RHMZPNAXXJZBRK-UXLLHSPISA-N 1 3 348.491 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2CC1 ZINC000946518363 611297419 /nfs/dbraw/zinc/29/74/19/611297419.db2.gz RHMZPNAXXJZBRK-UXLLHSPISA-N 1 3 348.491 0.530 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000933849199 611753285 /nfs/dbraw/zinc/75/32/85/611753285.db2.gz FZKCPZYXAYCTBM-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000950074351 611857904 /nfs/dbraw/zinc/85/79/04/611857904.db2.gz OAWTXOBNKSTAEE-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000950074351 611857908 /nfs/dbraw/zinc/85/79/08/611857908.db2.gz OAWTXOBNKSTAEE-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CN(CC(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1)C1CCC1 ZINC000950823468 611926311 /nfs/dbraw/zinc/92/63/11/611926311.db2.gz GYLSCOKPISKDDD-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]2CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC000950825611 611927285 /nfs/dbraw/zinc/92/72/85/611927285.db2.gz STNZLPQOFODJDF-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000950863502 611952614 /nfs/dbraw/zinc/95/26/14/611952614.db2.gz XTKOTXVLFJZTLE-ZIAGYGMSSA-N 1 3 333.436 0.320 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000950863502 611952616 /nfs/dbraw/zinc/95/26/16/611952616.db2.gz XTKOTXVLFJZTLE-ZIAGYGMSSA-N 1 3 333.436 0.320 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1)N(C)C ZINC000954502653 612337895 /nfs/dbraw/zinc/33/78/95/612337895.db2.gz WBTRIZRUJYJITJ-JKSUJKDBSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1)N(C)C ZINC000954502653 612337900 /nfs/dbraw/zinc/33/79/00/612337900.db2.gz WBTRIZRUJYJITJ-JKSUJKDBSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904589 612418912 /nfs/dbraw/zinc/41/89/12/612418912.db2.gz GCFWXVXIZJEINQ-JKSUJKDBSA-N 1 3 336.480 0.623 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904589 612418914 /nfs/dbraw/zinc/41/89/14/612418914.db2.gz GCFWXVXIZJEINQ-JKSUJKDBSA-N 1 3 336.480 0.623 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000953905219 612421266 /nfs/dbraw/zinc/42/12/66/612421266.db2.gz UHPUSGDNIHQVEQ-IAGOWNOFSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000955342327 612466624 /nfs/dbraw/zinc/46/66/24/612466624.db2.gz XDTKGTMJRBCDSV-CQSZACIVSA-N 1 3 334.464 0.236 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000955342265 612467253 /nfs/dbraw/zinc/46/72/53/612467253.db2.gz VPHRPSLQFSENQB-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000955342265 612467257 /nfs/dbraw/zinc/46/72/57/612467257.db2.gz VPHRPSLQFSENQB-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000955343280 612468972 /nfs/dbraw/zinc/46/89/72/612468972.db2.gz BWHJTYVBTCCMJY-RHSMWYFYSA-N 1 3 348.491 0.339 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000955343284 612469435 /nfs/dbraw/zinc/46/94/35/612469435.db2.gz BWHJTYVBTCCMJY-YOEHRIQHSA-N 1 3 348.491 0.339 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000955344698 612472312 /nfs/dbraw/zinc/47/23/12/612472312.db2.gz PFSQASXBCKPBHF-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000955344698 612472316 /nfs/dbraw/zinc/47/23/16/612472316.db2.gz PFSQASXBCKPBHF-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1)[NH+]1CCCC1 ZINC000955444122 612592645 /nfs/dbraw/zinc/59/26/45/612592645.db2.gz QGGWCFLYUVQTNL-KRWDZBQOSA-N 1 3 347.463 0.742 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000954319759 612849341 /nfs/dbraw/zinc/84/93/41/612849341.db2.gz KZDOFSKUGVSHOL-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954319759 612849342 /nfs/dbraw/zinc/84/93/42/612849342.db2.gz KZDOFSKUGVSHOL-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000954321248 612851665 /nfs/dbraw/zinc/85/16/65/612851665.db2.gz DXFROLXHIDXGMB-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000954321248 612851666 /nfs/dbraw/zinc/85/16/66/612851666.db2.gz DXFROLXHIDXGMB-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(C(=O)CN2CCCC2)C1 ZINC000954357680 612874645 /nfs/dbraw/zinc/87/46/45/612874645.db2.gz ZVHZLGCRIZRRMM-INIZCTEOSA-N 1 3 334.464 0.093 20 0 ECADHO CC(C)N(C)Cc1nn(-c2ncc3c(n2)CNC3)c2c1CC[NH2+]C2 ZINC001164685072 719621542 /nfs/dbraw/zinc/62/15/42/719621542.db2.gz ZJQXUJZVQQDSNQ-UHFFFAOYSA-N 1 3 327.436 0.751 20 0 ECADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000969135406 731517573 /nfs/dbraw/zinc/51/75/73/731517573.db2.gz IMHHOKTZBCOKMY-QGZVFWFLSA-N 1 3 344.459 0.460 20 0 ECADHO Cn1nccc1CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969458746 731907774 /nfs/dbraw/zinc/90/77/74/731907774.db2.gz YCGGZYRDZATXSG-WBVHZDCISA-N 1 3 331.464 0.985 20 0 ECADHO C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@H](C1CC1)N(C)C ZINC001078073477 782252072 /nfs/dbraw/zinc/25/20/72/782252072.db2.gz HZXBAPQETXOSLX-ZFWWWQNUSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](NC(=O)c1ccn2cncc2c1)C1C[NH+](CCn2cncn2)C1 ZINC000970058330 732697410 /nfs/dbraw/zinc/69/74/10/732697410.db2.gz HTHCRLPVAVBEIG-ZDUSSCGKSA-N 1 3 339.403 0.676 20 0 ECADHO C[NH+](C)CCOCC(=O)N1CCC(N(C/C=C/Cl)CCO)CC1 ZINC001098533047 733060716 /nfs/dbraw/zinc/06/07/16/733060716.db2.gz QCQWUHQGPMPIHX-ZZXKWVIFSA-N 1 3 347.887 0.602 20 0 ECADHO CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232777 733077321 /nfs/dbraw/zinc/07/73/21/733077321.db2.gz PMMGFFWAKVPINK-HNNXBMFYSA-N 1 3 338.496 0.683 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC000970336192 733369102 /nfs/dbraw/zinc/36/91/02/733369102.db2.gz ZPXCTZDMHOBPGA-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCN(CC(N)=O)C2)CC1)[NH+](C)C ZINC001039180416 733601867 /nfs/dbraw/zinc/60/18/67/733601867.db2.gz QKAPNITZNAZGFB-WBVHZDCISA-N 1 3 338.496 0.618 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001211286426 734250108 /nfs/dbraw/zinc/25/01/08/734250108.db2.gz UGAJLXQZXVQEQW-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)COCC[NH+](C)C ZINC001067478248 734319846 /nfs/dbraw/zinc/31/98/46/734319846.db2.gz VYDAYKYXLITDJE-UHFFFAOYSA-N 1 3 344.500 0.213 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC000971204515 734357788 /nfs/dbraw/zinc/35/77/88/734357788.db2.gz LQSTUQLEGRUFFU-HZPDHXFCSA-N 1 3 334.468 0.522 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC000971204515 734357792 /nfs/dbraw/zinc/35/77/92/734357792.db2.gz LQSTUQLEGRUFFU-HZPDHXFCSA-N 1 3 334.468 0.522 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccn(C)c(=O)c3)C2)CCC1 ZINC000971673552 734938846 /nfs/dbraw/zinc/93/88/46/734938846.db2.gz HIHKDDJQBBYQMT-INIZCTEOSA-N 1 3 346.475 0.902 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccn(C)c(=O)c3)C2)CCC1 ZINC000971673552 734938848 /nfs/dbraw/zinc/93/88/48/734938848.db2.gz HIHKDDJQBBYQMT-INIZCTEOSA-N 1 3 346.475 0.902 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCc3cnn(C)c3)C2)CCC1 ZINC000971673278 734939169 /nfs/dbraw/zinc/93/91/69/734939169.db2.gz FRRPFBPUCVZBSG-INIZCTEOSA-N 1 3 333.480 0.980 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCc3cnn(C)c3)C2)CCC1 ZINC000971673278 734939171 /nfs/dbraw/zinc/93/91/71/734939171.db2.gz FRRPFBPUCVZBSG-INIZCTEOSA-N 1 3 333.480 0.980 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971716042 734981911 /nfs/dbraw/zinc/98/19/11/734981911.db2.gz LDPKTFUDSDXYSN-CVEARBPZSA-N 1 3 334.468 0.685 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971716042 734981915 /nfs/dbraw/zinc/98/19/15/734981915.db2.gz LDPKTFUDSDXYSN-CVEARBPZSA-N 1 3 334.468 0.685 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001078201131 782482769 /nfs/dbraw/zinc/48/27/69/782482769.db2.gz IJSUDGPUIZOPQV-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC000972334909 735961225 /nfs/dbraw/zinc/96/12/25/735961225.db2.gz LBWLHJQKEUYYDN-PBHICJAKSA-N 1 3 348.495 0.769 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC000972334909 735961227 /nfs/dbraw/zinc/96/12/27/735961227.db2.gz LBWLHJQKEUYYDN-PBHICJAKSA-N 1 3 348.495 0.769 20 0 ECADHO O=C(N1CCO[C@@H]2CN(C[C@H]3CCCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249452 736024315 /nfs/dbraw/zinc/02/43/15/736024315.db2.gz FVBQDZQDFGHHEM-IXDOHACOSA-N 1 3 349.475 0.420 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001023122963 736517290 /nfs/dbraw/zinc/51/72/90/736517290.db2.gz LKXVGXKWUUZCGS-MDBPOYHNSA-N 1 3 346.475 0.995 20 0 ECADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C3)nn1 ZINC001112518971 737735340 /nfs/dbraw/zinc/73/53/40/737735340.db2.gz LZHYWUPCMXPRHD-YJBOKZPZSA-N 1 3 348.495 0.875 20 0 ECADHO Cn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001024156433 737783418 /nfs/dbraw/zinc/78/34/18/737783418.db2.gz NKNKADUELBAONZ-HNNXBMFYSA-N 1 3 348.495 0.875 20 0 ECADHO COc1cncc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001024264413 737871054 /nfs/dbraw/zinc/87/10/54/737871054.db2.gz QLTPJAYXBIPIGE-HUUCEWRRSA-N 1 3 347.463 0.765 20 0 ECADHO COc1cncc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024264413 737871058 /nfs/dbraw/zinc/87/10/58/737871058.db2.gz QLTPJAYXBIPIGE-HUUCEWRRSA-N 1 3 347.463 0.765 20 0 ECADHO O=C(NC[C@@H]1CCCCN1CCn1cccn1)C12CC[NH+](CC1)C2 ZINC001024762260 738274977 /nfs/dbraw/zinc/27/49/77/738274977.db2.gz OXHQVHCBNUQHKQ-INIZCTEOSA-N 1 3 331.464 0.950 20 0 ECADHO Cn1nccc1CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024800403 738305672 /nfs/dbraw/zinc/30/56/72/738305672.db2.gz DUXILXZLWZCSGU-WBVHZDCISA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024800403 738305675 /nfs/dbraw/zinc/30/56/75/738305675.db2.gz DUXILXZLWZCSGU-WBVHZDCISA-N 1 3 333.480 0.885 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000973311633 739087957 /nfs/dbraw/zinc/08/79/57/739087957.db2.gz MPUSGUFPTSIRMU-KKUMJFAQSA-N 1 3 345.447 0.366 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104682546 739478741 /nfs/dbraw/zinc/47/87/41/739478741.db2.gz VCXWYMKUJCGCFG-ZIAGYGMSSA-N 1 3 326.485 0.524 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001104691156 739489911 /nfs/dbraw/zinc/48/99/11/739489911.db2.gz KLKHKLHATWDIHC-FPCVCCKLSA-N 1 3 329.485 0.408 20 0 ECADHO C[C@@H](NC(=O)c1cnccc1N(C)C)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001025596692 739760608 /nfs/dbraw/zinc/76/06/08/739760608.db2.gz GDKFNUZXTWZXFU-OLZOCXBDSA-N 1 3 333.436 0.463 20 0 ECADHO C[C@@H](NC(=O)c1cnccc1N(C)C)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025596692 739760611 /nfs/dbraw/zinc/76/06/11/739760611.db2.gz GDKFNUZXTWZXFU-OLZOCXBDSA-N 1 3 333.436 0.463 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025782058 739941045 /nfs/dbraw/zinc/94/10/45/739941045.db2.gz XXKXEGIORHEFQU-ALYAQQCSSA-N 1 3 344.463 0.199 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025782058 739941049 /nfs/dbraw/zinc/94/10/49/739941049.db2.gz XXKXEGIORHEFQU-ALYAQQCSSA-N 1 3 344.463 0.199 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025817940 739991859 /nfs/dbraw/zinc/99/18/59/739991859.db2.gz GKVJLMWGOSJEHG-NRKLIOEPSA-N 1 3 344.463 0.341 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025817940 739991860 /nfs/dbraw/zinc/99/18/60/739991860.db2.gz GKVJLMWGOSJEHG-NRKLIOEPSA-N 1 3 344.463 0.341 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025967445 740282426 /nfs/dbraw/zinc/28/24/26/740282426.db2.gz XTMJHNKNGCADGD-OWYFMNJBSA-N 1 3 334.464 0.043 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025967445 740282432 /nfs/dbraw/zinc/28/24/32/740282432.db2.gz XTMJHNKNGCADGD-OWYFMNJBSA-N 1 3 334.464 0.043 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001026045529 740332658 /nfs/dbraw/zinc/33/26/58/740332658.db2.gz FAZQRBAMICAHBH-GAUGTXIDSA-N 1 3 334.489 0.930 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001026045529 740332663 /nfs/dbraw/zinc/33/26/63/740332663.db2.gz FAZQRBAMICAHBH-GAUGTXIDSA-N 1 3 334.489 0.930 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026088649 740363252 /nfs/dbraw/zinc/36/32/52/740363252.db2.gz INXMOTKRWGXOBA-DMRKSPOLSA-N 1 3 348.491 0.574 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026088649 740363255 /nfs/dbraw/zinc/36/32/55/740363255.db2.gz INXMOTKRWGXOBA-DMRKSPOLSA-N 1 3 348.491 0.574 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001026086875 740364814 /nfs/dbraw/zinc/36/48/14/740364814.db2.gz XZTYLIPAFPEYHZ-BQJWPVKWSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001026086875 740364820 /nfs/dbraw/zinc/36/48/20/740364820.db2.gz XZTYLIPAFPEYHZ-BQJWPVKWSA-N 1 3 348.491 0.526 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCn4cncn4)[C@H]3C2)CCC1 ZINC001026281617 740733577 /nfs/dbraw/zinc/73/35/77/740733577.db2.gz GMFFIWMPKRFGJU-JYJNAYRXSA-N 1 3 346.479 0.589 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000974148242 741008351 /nfs/dbraw/zinc/00/83/51/741008351.db2.gz OQHONFYMCULAOT-WCVJEAGWSA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000974148242 741008355 /nfs/dbraw/zinc/00/83/55/741008355.db2.gz OQHONFYMCULAOT-WCVJEAGWSA-N 1 3 336.480 0.576 20 0 ECADHO Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]23)cn1 ZINC001026366516 741067361 /nfs/dbraw/zinc/06/73/61/741067361.db2.gz MFAIKMDYTDMSSA-DJIMGWMZSA-N 1 3 342.447 0.755 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000974324168 741314833 /nfs/dbraw/zinc/31/48/33/741314833.db2.gz KSGFBEMWVWPVGF-QXSJWSMHSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000974324168 741314836 /nfs/dbraw/zinc/31/48/36/741314836.db2.gz KSGFBEMWVWPVGF-QXSJWSMHSA-N 1 3 336.480 0.433 20 0 ECADHO Cn1ccnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]12 ZINC001026421575 741337900 /nfs/dbraw/zinc/33/79/00/741337900.db2.gz UPOYWKHTCYXWNW-BZUAXINKSA-N 1 3 331.464 0.843 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C)[NH+](C)C ZINC001078238330 782538705 /nfs/dbraw/zinc/53/87/05/782538705.db2.gz RTRILSVNJYHWKF-IMJJTQAJSA-N 1 3 340.512 0.924 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CCn2cccn2)C3)C1 ZINC000982150888 751657653 /nfs/dbraw/zinc/65/76/53/751657653.db2.gz ZBPNBZZGCJHTIJ-MRXNPFEDSA-N 1 3 331.464 0.759 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CCn2cccn2)C3)C1 ZINC000982150888 751657656 /nfs/dbraw/zinc/65/76/56/751657656.db2.gz ZBPNBZZGCJHTIJ-MRXNPFEDSA-N 1 3 331.464 0.759 20 0 ECADHO COc1coc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1=O ZINC001026734248 741739122 /nfs/dbraw/zinc/73/91/22/741739122.db2.gz LVLFNLABIXAHOV-UKRRQHHQSA-N 1 3 349.431 0.681 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001026853302 741970853 /nfs/dbraw/zinc/97/08/53/741970853.db2.gz CTZSMLFYKJYPDD-UMVBOHGHSA-N 1 3 336.436 0.962 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001026853302 741970856 /nfs/dbraw/zinc/97/08/56/741970856.db2.gz CTZSMLFYKJYPDD-UMVBOHGHSA-N 1 3 336.436 0.962 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC001026889209 742028941 /nfs/dbraw/zinc/02/89/41/742028941.db2.gz UCBAGULUNROKMB-SUMWQHHRSA-N 1 3 347.463 0.764 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001027066479 742439693 /nfs/dbraw/zinc/43/96/93/742439693.db2.gz RMVNLLNYYRKYFI-HUUCEWRRSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001027091409 742525152 /nfs/dbraw/zinc/52/51/52/742525152.db2.gz MFLVOXNLTGTBQE-KGLIPLIRSA-N 1 3 333.436 0.307 20 0 ECADHO Cc1nnc(CNC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)[nH]1 ZINC001027105765 742574720 /nfs/dbraw/zinc/57/47/20/742574720.db2.gz RDFNNLLTWIWHFS-OAHLLOKOSA-N 1 3 334.468 0.783 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000975362329 742753571 /nfs/dbraw/zinc/75/35/71/742753571.db2.gz MAKFXLJVIVXREG-CQSZACIVSA-N 1 3 347.463 0.649 20 0 ECADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027144691 742754993 /nfs/dbraw/zinc/75/49/93/742754993.db2.gz JMCCEOFWXJYEBH-OAHLLOKOSA-N 1 3 349.479 0.469 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000975414643 742822752 /nfs/dbraw/zinc/82/27/52/742822752.db2.gz PPGRDWCGHMFYEQ-AWEZNQCLSA-N 1 3 345.447 0.403 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170081 742960223 /nfs/dbraw/zinc/96/02/23/742960223.db2.gz BTWISTMREKCIFC-CABCVRRESA-N 1 3 347.463 0.765 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170081 742960231 /nfs/dbraw/zinc/96/02/31/742960231.db2.gz BTWISTMREKCIFC-CABCVRRESA-N 1 3 347.463 0.765 20 0 ECADHO C[C@@H](NC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nncn1C ZINC001027173380 743005637 /nfs/dbraw/zinc/00/56/37/743005637.db2.gz OYSGUHFLMSIUGX-ZIAGYGMSSA-N 1 3 332.452 0.410 20 0 ECADHO C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)N1CCCCC1 ZINC000997036531 743157182 /nfs/dbraw/zinc/15/71/82/743157182.db2.gz MNDQNEJVAMHIPB-CQSZACIVSA-N 1 3 347.463 0.934 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217568 743194288 /nfs/dbraw/zinc/19/42/88/743194288.db2.gz LZIQLQMKMTXULR-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001027234691 743248531 /nfs/dbraw/zinc/24/85/31/743248531.db2.gz CEVVPURZXNCVKU-ZBFHGGJFSA-N 1 3 334.468 0.628 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000997236276 743386963 /nfs/dbraw/zinc/38/69/63/743386963.db2.gz RLZUGNHIMMTLIL-DZGCQCFKSA-N 1 3 347.463 0.708 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000997366862 743538710 /nfs/dbraw/zinc/53/87/10/743538710.db2.gz OBJNEKLXUNRGAV-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000997368738 743540291 /nfs/dbraw/zinc/54/02/91/743540291.db2.gz UFKKOMJDGBDFHZ-MRXNPFEDSA-N 1 3 334.468 0.770 20 0 ECADHO CC(C)(C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCCC1 ZINC000997387115 743560874 /nfs/dbraw/zinc/56/08/74/743560874.db2.gz MRBPZCNFQQGTEG-MRXNPFEDSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001020585046 751838429 /nfs/dbraw/zinc/83/84/29/751838429.db2.gz FDHDWVNELQPRMG-JYJNAYRXSA-N 1 3 336.480 0.720 20 0 ECADHO CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001020588822 751850345 /nfs/dbraw/zinc/85/03/45/751850345.db2.gz NMVYVDISSQLKHC-QEJZJMRPSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000997823313 743837715 /nfs/dbraw/zinc/83/77/15/743837715.db2.gz KTDDNIZLHKZCLL-JKSUJKDBSA-N 1 3 336.480 0.386 20 0 ECADHO CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000997831591 743841828 /nfs/dbraw/zinc/84/18/28/743841828.db2.gz VUIOJBFOVAHALL-KRWDZBQOSA-N 1 3 348.495 0.966 20 0 ECADHO CC1CCN(CC(=O)N2CCC(C[NH2+][C@H]3CCNC3=O)CC2)CC1 ZINC000998175908 744030296 /nfs/dbraw/zinc/03/02/96/744030296.db2.gz PPIJQWZRDLTHMA-INIZCTEOSA-N 1 3 336.480 0.435 20 0 ECADHO COc1cc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)on1 ZINC000998264849 744086362 /nfs/dbraw/zinc/08/63/62/744086362.db2.gz HZVYLGKSFOUJJI-CQSZACIVSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000998264849 744086365 /nfs/dbraw/zinc/08/63/65/744086365.db2.gz HZVYLGKSFOUJJI-CQSZACIVSA-N 1 3 336.436 0.963 20 0 ECADHO CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000998270688 744089985 /nfs/dbraw/zinc/08/99/85/744089985.db2.gz XZAHCEYXWOQSBN-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000976598353 744123073 /nfs/dbraw/zinc/12/30/73/744123073.db2.gz CUCPQZHLBDXYKN-OAEZHTQQSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000976598353 744123075 /nfs/dbraw/zinc/12/30/75/744123075.db2.gz CUCPQZHLBDXYKN-OAEZHTQQSA-N 1 3 348.491 0.241 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998547983 744219355 /nfs/dbraw/zinc/21/93/55/744219355.db2.gz DMIBHIHIPUGPHO-NRXISQOPSA-N 1 3 334.468 0.780 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC000998623075 744257256 /nfs/dbraw/zinc/25/72/56/744257256.db2.gz BZVLZHFKSXKDNY-YVSFHVDLSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC000998623075 744257260 /nfs/dbraw/zinc/25/72/60/744257260.db2.gz BZVLZHFKSXKDNY-YVSFHVDLSA-N 1 3 348.491 0.672 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC000998718147 744296737 /nfs/dbraw/zinc/29/67/37/744296737.db2.gz BWTIMSWPIZWYKL-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC000998718148 744296759 /nfs/dbraw/zinc/29/67/59/744296759.db2.gz BWTIMSWPIZWYKL-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000998725201 744299485 /nfs/dbraw/zinc/29/94/85/744299485.db2.gz VOJRXFBVSFGYEI-SJORKVTESA-N 1 3 344.459 0.960 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC000976762334 744303139 /nfs/dbraw/zinc/30/31/39/744303139.db2.gz UPKPCOMNGVKCOO-QXSJWSMHSA-N 1 3 336.480 0.241 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)C1 ZINC000998897473 744390671 /nfs/dbraw/zinc/39/06/71/744390671.db2.gz FETXGRFVBUYHNW-QQFBHYJXSA-N 1 3 348.495 0.872 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)C1 ZINC000998897473 744390674 /nfs/dbraw/zinc/39/06/74/744390674.db2.gz FETXGRFVBUYHNW-QQFBHYJXSA-N 1 3 348.495 0.872 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)Cc1c[nH]cn1 ZINC001020633011 751919720 /nfs/dbraw/zinc/91/97/20/751919720.db2.gz CVCWFCGUHRRLHH-MAZHCROVSA-N 1 3 345.447 0.400 20 0 ECADHO CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC(NCc2ncnn2C)C1 ZINC000999056180 744489486 /nfs/dbraw/zinc/48/94/86/744489486.db2.gz DLJGNUYHPFDKEA-UHFFFAOYSA-N 1 3 339.403 0.856 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC000977024653 744577377 /nfs/dbraw/zinc/57/73/77/744577377.db2.gz DSHNNZLMWIOQPC-AORAQPTISA-N 1 3 345.447 0.256 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC000977024653 744577382 /nfs/dbraw/zinc/57/73/82/744577382.db2.gz DSHNNZLMWIOQPC-AORAQPTISA-N 1 3 345.447 0.256 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1)C1CC1 ZINC000999369002 744660073 /nfs/dbraw/zinc/66/00/73/744660073.db2.gz IHFXZQGTWQQZDB-RDJZCZTQSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC000999425499 744691748 /nfs/dbraw/zinc/69/17/48/744691748.db2.gz ULKFTLYZFXKHJA-RDJZCZTQSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000977198064 744773015 /nfs/dbraw/zinc/77/30/15/744773015.db2.gz XSILUAHETMAPLF-KBEGMRNHSA-N 1 3 348.491 0.386 20 0 ECADHO Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CN4CCC[C@@H]4CO3)C2)cn1 ZINC000983715509 745091376 /nfs/dbraw/zinc/09/13/76/745091376.db2.gz IEWJJSOILLDGOH-MWQQHZPXSA-N 1 3 347.463 0.268 20 0 ECADHO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccnc2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC000983717138 745094392 /nfs/dbraw/zinc/09/43/92/745094392.db2.gz XGEHUTIXVAGMNC-XSLAGTTESA-N 1 3 344.459 0.929 20 0 ECADHO C[C@@H]([NH2+][C@H]1CCCNC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150833 745173183 /nfs/dbraw/zinc/17/31/83/745173183.db2.gz UQQOPIRAVNHSAD-DOMZBBRYSA-N 1 3 333.436 0.448 20 0 ECADHO C[C@H]([NH2+][C@H]1CCN(C)C1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029154066 745175880 /nfs/dbraw/zinc/17/58/80/745175880.db2.gz ZBNGUBKFZKRRLF-WFASDCNBSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001000020125 745190694 /nfs/dbraw/zinc/19/06/94/745190694.db2.gz KXJPUDUJJOAIDX-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001000020125 745190695 /nfs/dbraw/zinc/19/06/95/745190695.db2.gz KXJPUDUJJOAIDX-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535988 745297969 /nfs/dbraw/zinc/29/79/69/745297969.db2.gz LCCXQLDFYCJEGZ-QRTARXTBSA-N 1 3 336.436 0.178 20 0 ECADHO Cc1noc(CCCN2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001028263507 751991907 /nfs/dbraw/zinc/99/19/07/751991907.db2.gz QUCHAQBHDMLLEF-HNNXBMFYSA-N 1 3 347.463 0.987 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001000192736 745328478 /nfs/dbraw/zinc/32/84/78/745328478.db2.gz NEOYWTMUCZJDCE-LSDHHAIUSA-N 1 3 334.468 0.720 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001000192736 745328485 /nfs/dbraw/zinc/32/84/85/745328485.db2.gz NEOYWTMUCZJDCE-LSDHHAIUSA-N 1 3 334.468 0.720 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)n1 ZINC001000195235 745331348 /nfs/dbraw/zinc/33/13/48/745331348.db2.gz XUDIMKRDVNFRQG-WMLDXEAASA-N 1 3 348.495 0.960 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001000200031 745339287 /nfs/dbraw/zinc/33/92/87/745339287.db2.gz OJTUWIIVMBSOQM-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536121 745351329 /nfs/dbraw/zinc/35/13/29/745351329.db2.gz RATQYNLWTIHLBP-GUYCJALGSA-N 1 3 333.436 0.259 20 0 ECADHO Cc1nc([C@H](C)N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC001000713753 745716725 /nfs/dbraw/zinc/71/67/25/745716725.db2.gz WWZOSIOEMWQTAC-JSGCOSHPSA-N 1 3 332.452 0.851 20 0 ECADHO COc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CN3CCCC3)C2)c(C)n1 ZINC001000931080 745909117 /nfs/dbraw/zinc/90/91/17/745909117.db2.gz BALGGDSXYWJWII-MRXNPFEDSA-N 1 3 347.463 0.970 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001059351403 746181470 /nfs/dbraw/zinc/18/14/70/746181470.db2.gz CIBDFBXWZWRCGM-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001059351403 746181476 /nfs/dbraw/zinc/18/14/76/746181476.db2.gz CIBDFBXWZWRCGM-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CCn1cncn1 ZINC001087797397 746354139 /nfs/dbraw/zinc/35/41/39/746354139.db2.gz MDYNWQGDVCDJLE-HRCADAONSA-N 1 3 334.468 0.589 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CCn1cncn1 ZINC001087797397 746354141 /nfs/dbraw/zinc/35/41/41/746354141.db2.gz MDYNWQGDVCDJLE-HRCADAONSA-N 1 3 334.468 0.589 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN([C@H](CC)C(N)=O)CC1 ZINC001001465419 746407081 /nfs/dbraw/zinc/40/70/81/746407081.db2.gz AHYJVCRQWCAHIT-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CCN([C@H](CC)C(N)=O)CC1 ZINC001001465419 746407088 /nfs/dbraw/zinc/40/70/88/746407088.db2.gz AHYJVCRQWCAHIT-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(NC[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000978567187 746430768 /nfs/dbraw/zinc/43/07/68/746430768.db2.gz YNICMLAITOFLML-UAEIHBMGSA-N 1 3 337.439 0.503 20 0 ECADHO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000978567187 746430771 /nfs/dbraw/zinc/43/07/71/746430771.db2.gz YNICMLAITOFLML-UAEIHBMGSA-N 1 3 337.439 0.503 20 0 ECADHO CCn1nncc1CNCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029991 746515345 /nfs/dbraw/zinc/51/53/45/746515345.db2.gz LGYPFWLTLYVTIM-GDBMZVCRSA-N 1 3 334.468 0.911 20 0 ECADHO CCn1nncc1CNCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029991 746515347 /nfs/dbraw/zinc/51/53/47/746515347.db2.gz LGYPFWLTLYVTIM-GDBMZVCRSA-N 1 3 334.468 0.911 20 0 ECADHO CC[C@@H](C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC001001883627 746783694 /nfs/dbraw/zinc/78/36/94/746783694.db2.gz HPRRPVWGBJTNEL-HOTGVXAUSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC001001883627 746783698 /nfs/dbraw/zinc/78/36/98/746783698.db2.gz HPRRPVWGBJTNEL-HOTGVXAUSA-N 1 3 338.496 0.774 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC000984732592 746884111 /nfs/dbraw/zinc/88/41/11/746884111.db2.gz SVDRDUJFCMQOEU-SAZUREKKSA-N 1 3 347.463 0.811 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC000984802819 746973109 /nfs/dbraw/zinc/97/31/09/746973109.db2.gz CIVVXGFRRFJVCC-KLHDSHLOSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001002247296 747123294 /nfs/dbraw/zinc/12/32/94/747123294.db2.gz ZTDNCNKNEQTJBV-IIAWOOMASA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001002247296 747123298 /nfs/dbraw/zinc/12/32/98/747123298.db2.gz ZTDNCNKNEQTJBV-IIAWOOMASA-N 1 3 336.480 0.243 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000979082705 747147820 /nfs/dbraw/zinc/14/78/20/747147820.db2.gz YDJUMWMPGJKFRH-WCXIOVBPSA-N 1 3 346.479 0.447 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000979082705 747147823 /nfs/dbraw/zinc/14/78/23/747147823.db2.gz YDJUMWMPGJKFRH-WCXIOVBPSA-N 1 3 346.479 0.447 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001002451362 747361986 /nfs/dbraw/zinc/36/19/86/747361986.db2.gz PMEZOJPDPLOVQM-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001002451362 747361995 /nfs/dbraw/zinc/36/19/95/747361995.db2.gz PMEZOJPDPLOVQM-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC000985149254 747468839 /nfs/dbraw/zinc/46/88/39/747468839.db2.gz MZQQUFNXNSHHMO-KLHDSHLOSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000979309533 747585932 /nfs/dbraw/zinc/58/59/32/747585932.db2.gz HBWVMMASPQLDAH-ZBFHGGJFSA-N 1 3 349.479 0.610 20 0 ECADHO CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2)C1CCC1 ZINC001002802773 747806091 /nfs/dbraw/zinc/80/60/91/747806091.db2.gz 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338.496 0.585 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011267736 757344904 /nfs/dbraw/zinc/34/49/04/757344904.db2.gz CXQDIZCFIODVED-WBVHZDCISA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H](C1CC1)N(C)C)[NH+](C)C ZINC001076956342 757741712 /nfs/dbraw/zinc/74/17/12/757741712.db2.gz LMGDIBLTQIPZRI-NUEKZKHPSA-N 1 3 340.512 0.924 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996475664 757756418 /nfs/dbraw/zinc/75/64/18/757756418.db2.gz RMNUYGUBBMTHCA-OAHLLOKOSA-N 1 3 334.464 0.284 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001076972163 757775620 /nfs/dbraw/zinc/77/56/20/757775620.db2.gz HZBZXUVOPVUTPF-HOCLYGCPSA-N 1 3 328.501 0.925 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001076972163 757775627 /nfs/dbraw/zinc/77/56/27/757775627.db2.gz HZBZXUVOPVUTPF-HOCLYGCPSA-N 1 3 328.501 0.925 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@H]3C2)C1=O ZINC001049056994 757803662 /nfs/dbraw/zinc/80/36/62/757803662.db2.gz HDMHUOQVCGBERX-WCXIOVBPSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@H]3C2)C1=O ZINC001049056994 757803675 /nfs/dbraw/zinc/80/36/75/757803675.db2.gz HDMHUOQVCGBERX-WCXIOVBPSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057372 757803893 /nfs/dbraw/zinc/80/38/93/757803893.db2.gz PFNMKIZOGHNSST-XUWVNRHRSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057372 757803909 /nfs/dbraw/zinc/80/39/09/757803909.db2.gz PFNMKIZOGHNSST-XUWVNRHRSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(Cc3cncn3C)C[C@H]2C1 ZINC001049058089 757813308 /nfs/dbraw/zinc/81/33/08/757813308.db2.gz VYWPXTZHPHCZRY-HRCADAONSA-N 1 3 331.464 0.795 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(Cc3cncn3C)C[C@H]2C1 ZINC001049058089 757813315 /nfs/dbraw/zinc/81/33/15/757813315.db2.gz VYWPXTZHPHCZRY-HRCADAONSA-N 1 3 331.464 0.795 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)C1 ZINC001049059528 757823721 /nfs/dbraw/zinc/82/37/21/757823721.db2.gz SSLYCTJPUVTRMM-YESZJQIVSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)C1 ZINC001049059528 757823733 /nfs/dbraw/zinc/82/37/33/757823733.db2.gz SSLYCTJPUVTRMM-YESZJQIVSA-N 1 3 348.491 0.341 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)C1 ZINC001049060027 757825720 /nfs/dbraw/zinc/82/57/20/757825720.db2.gz LSWIBYLWFHLION-RVKKMQEKSA-N 1 3 341.471 0.972 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)C1 ZINC001049060027 757825730 /nfs/dbraw/zinc/82/57/30/757825730.db2.gz LSWIBYLWFHLION-RVKKMQEKSA-N 1 3 341.471 0.972 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2C1)N(C)C ZINC001049064304 757854152 /nfs/dbraw/zinc/85/41/52/757854152.db2.gz CMEYYXIFJCJBKY-BBWFWOEESA-N 1 3 346.475 0.616 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2C1)N(C)C ZINC001049064304 757854161 /nfs/dbraw/zinc/85/41/61/757854161.db2.gz CMEYYXIFJCJBKY-BBWFWOEESA-N 1 3 346.475 0.616 20 0 ECADHO O=C(C[NH+]1CCCC1)NCc1cn(C2CN(CCC3CC3)C2)nn1 ZINC001107236157 758024469 /nfs/dbraw/zinc/02/44/69/758024469.db2.gz RQWAKTAGLAFKEV-UHFFFAOYSA-N 1 3 332.452 0.647 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1)C1CC1 ZINC001051653932 762599255 /nfs/dbraw/zinc/59/92/55/762599255.db2.gz CDTQYAWOXOPYBV-IAGOWNOFSA-N 1 3 332.448 0.739 20 0 ECADHO Cn1nccc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001022121211 758308208 /nfs/dbraw/zinc/30/82/08/758308208.db2.gz ZYQUSOLMAYGVTQ-WTTBNOFXSA-N 1 3 347.463 0.063 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)c1 ZINC000996657982 758349092 /nfs/dbraw/zinc/34/90/92/758349092.db2.gz AAVJAUGQJIPFCV-HNNXBMFYSA-N 1 3 332.448 0.674 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC001051661144 762621050 /nfs/dbraw/zinc/62/10/50/762621050.db2.gz NGJLHAQLFUCCKV-IAGOWNOFSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)CCO2)cn1 ZINC001051661144 762621052 /nfs/dbraw/zinc/62/10/52/762621052.db2.gz NGJLHAQLFUCCKV-IAGOWNOFSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001051661528 762621694 /nfs/dbraw/zinc/62/16/94/762621694.db2.gz VLEICCRMLWCLJX-WBVHZDCISA-N 1 3 349.479 0.612 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001051661528 762621698 /nfs/dbraw/zinc/62/16/98/762621698.db2.gz VLEICCRMLWCLJX-WBVHZDCISA-N 1 3 349.479 0.612 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049233384 758397456 /nfs/dbraw/zinc/39/74/56/758397456.db2.gz NKURWPUFYKKXIH-YVSFHVDLSA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049233384 758397466 /nfs/dbraw/zinc/39/74/66/758397466.db2.gz NKURWPUFYKKXIH-YVSFHVDLSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001077182189 758433698 /nfs/dbraw/zinc/43/36/98/758433698.db2.gz DXQLJYZURBDENC-GOEBONIOSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)CN1CCCC1 ZINC001011771550 758535539 /nfs/dbraw/zinc/53/55/39/758535539.db2.gz LMYNRFDHPSLMTF-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671847 762655840 /nfs/dbraw/zinc/65/58/40/762655840.db2.gz MZIRZMKTPFBWBL-UONOGXRCSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671848 762655871 /nfs/dbraw/zinc/65/58/71/762655871.db2.gz MZIRZMKTPFBWBL-ZIAGYGMSSA-N 1 3 347.463 0.647 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CCO)n1 ZINC001049483962 758793729 /nfs/dbraw/zinc/79/37/29/758793729.db2.gz DEYGZOAUYIIKBD-HZPDHXFCSA-N 1 3 335.452 0.116 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001022711635 759023278 /nfs/dbraw/zinc/02/32/78/759023278.db2.gz CHKHEQOGLGCWOE-MPTYRVRUSA-N 1 3 348.491 0.861 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001022715462 759029917 /nfs/dbraw/zinc/02/99/17/759029917.db2.gz JAIIWXKCRCRGRG-AEGPPILISA-N 1 3 333.436 0.564 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001022715462 759029925 /nfs/dbraw/zinc/02/99/25/759029925.db2.gz JAIIWXKCRCRGRG-AEGPPILISA-N 1 3 333.436 0.564 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001022719518 759038317 /nfs/dbraw/zinc/03/83/17/759038317.db2.gz LGILCVPPZOWHHS-RUZUBIRVSA-N 1 3 332.452 0.617 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001022719518 759038322 /nfs/dbraw/zinc/03/83/22/759038322.db2.gz LGILCVPPZOWHHS-RUZUBIRVSA-N 1 3 332.452 0.617 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022720881 759044123 /nfs/dbraw/zinc/04/41/23/759044123.db2.gz SWBKQDLKKNFBCC-SPWCGHHHSA-N 1 3 334.468 0.541 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022720881 759044132 /nfs/dbraw/zinc/04/41/32/759044132.db2.gz SWBKQDLKKNFBCC-SPWCGHHHSA-N 1 3 334.468 0.541 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2CCn1cncn1)[NH+](C)C ZINC001049711593 759118089 /nfs/dbraw/zinc/11/80/89/759118089.db2.gz NBWYEMFFAJFIGM-YESZJQIVSA-N 1 3 348.495 0.930 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3ccccn3)C2)cn1 ZINC001022838117 759157509 /nfs/dbraw/zinc/15/75/09/759157509.db2.gz DDYOBLROLUWKOR-CALCHBBNSA-N 1 3 342.447 0.890 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(C[C@H](O)Cc3ccccc3)C2)C1 ZINC001032183064 759378056 /nfs/dbraw/zinc/37/80/56/759378056.db2.gz YXZHVQPXHLWBPF-ZWKOTPCHSA-N 1 3 331.460 0.590 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(C[C@H](O)Cc3ccccc3)C2)C1 ZINC001032183064 759378069 /nfs/dbraw/zinc/37/80/69/759378069.db2.gz YXZHVQPXHLWBPF-ZWKOTPCHSA-N 1 3 331.460 0.590 20 0 ECADHO CN1CCC[C@@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001017344585 767873109 /nfs/dbraw/zinc/87/31/09/767873109.db2.gz LLAGBZPHEJUMII-CVEARBPZSA-N 1 3 334.464 0.450 20 0 ECADHO CN1CCC[C@@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001017344585 767873117 /nfs/dbraw/zinc/87/31/17/767873117.db2.gz LLAGBZPHEJUMII-CVEARBPZSA-N 1 3 334.464 0.450 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)C1CCC1 ZINC001050063739 759642504 /nfs/dbraw/zinc/64/25/04/759642504.db2.gz UATIWCUWRNJHFI-NUEKZKHPSA-N 1 3 334.464 0.282 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)C1CCC1 ZINC001050063739 759642507 /nfs/dbraw/zinc/64/25/07/759642507.db2.gz UATIWCUWRNJHFI-NUEKZKHPSA-N 1 3 334.464 0.282 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001050075446 759660132 /nfs/dbraw/zinc/66/01/32/759660132.db2.gz GRADVECIHCHJSJ-ZJIFWQFVSA-N 1 3 336.480 0.480 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001050075446 759660135 /nfs/dbraw/zinc/66/01/35/759660135.db2.gz GRADVECIHCHJSJ-ZJIFWQFVSA-N 1 3 336.480 0.480 20 0 ECADHO Cc1nnc(CN[C@H](C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC001048037553 759867131 /nfs/dbraw/zinc/86/71/31/759867131.db2.gz INXIJRJJFDUJHU-TZMCWYRMSA-N 1 3 332.452 0.536 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048037512 759867337 /nfs/dbraw/zinc/86/73/37/759867337.db2.gz IJFKVXHXFWORPX-ZIAGYGMSSA-N 1 3 332.452 0.238 20 0 ECADHO Cn1nnnc1CNC[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001050385946 760212480 /nfs/dbraw/zinc/21/24/80/760212480.db2.gz CPAVZPVYWZCJRO-KKUMJFAQSA-N 1 3 349.483 0.317 20 0 ECADHO Cn1nnnc1CNC[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001050385946 760212488 /nfs/dbraw/zinc/21/24/88/760212488.db2.gz CPAVZPVYWZCJRO-KKUMJFAQSA-N 1 3 349.483 0.317 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000945399150 760220592 /nfs/dbraw/zinc/22/05/92/760220592.db2.gz MYMHVYDIFCLLQV-DLBZAZTESA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)CC2)C1=O ZINC001050462082 760305792 /nfs/dbraw/zinc/30/57/92/760305792.db2.gz PGYQQOIIIBCRMS-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CNCc1nncn1C ZINC001048337967 760331797 /nfs/dbraw/zinc/33/17/97/760331797.db2.gz JSZVXFPAGPRTLP-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cn1 ZINC001048398419 760440327 /nfs/dbraw/zinc/44/03/27/760440327.db2.gz QISQZKNLJJTYGC-DOMZBBRYSA-N 1 3 328.420 0.935 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CCn1cncn1)CC2)C1CC1 ZINC001050543663 760463413 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ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C ZINC001074648851 787503985 /nfs/dbraw/zinc/50/39/85/787503985.db2.gz JTNKFSADDLIZKO-BPUTZDHNSA-N 1 3 334.468 0.767 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C ZINC001074648851 787503988 /nfs/dbraw/zinc/50/39/88/787503988.db2.gz JTNKFSADDLIZKO-BPUTZDHNSA-N 1 3 334.468 0.767 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001074695074 787622345 /nfs/dbraw/zinc/62/23/45/787622345.db2.gz BZAQRIICAAFLTD-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001074695074 787622354 /nfs/dbraw/zinc/62/23/54/787622354.db2.gz BZAQRIICAAFLTD-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001074160677 787966914 /nfs/dbraw/zinc/96/69/14/787966914.db2.gz DAOPHBDEYXBSNA-HIFRSBDPSA-N 1 3 347.463 0.647 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)[C@@H]1C)N(C)C ZINC001074888542 788491069 /nfs/dbraw/zinc/49/10/69/788491069.db2.gz IXCXOIXNVQLVRJ-BPUTZDHNSA-N 1 3 334.464 0.805 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001072740411 788682511 /nfs/dbraw/zinc/68/25/11/788682511.db2.gz YUXFIMWNYAMTQU-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001072740411 788682518 /nfs/dbraw/zinc/68/25/18/788682518.db2.gz YUXFIMWNYAMTQU-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@H](NC(=O)Cc2nc[nH]c2C)[C@@H](C)C1 ZINC001072742708 788692275 /nfs/dbraw/zinc/69/22/75/788692275.db2.gz UCMOHFWKUNBMBF-WFASDCNBSA-N 1 3 335.452 0.566 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)Cc2nc[nH]c2C)[C@@H](C)C1 ZINC001072742708 788692281 /nfs/dbraw/zinc/69/22/81/788692281.db2.gz UCMOHFWKUNBMBF-WFASDCNBSA-N 1 3 335.452 0.566 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@H+](CCc2ccnn2C)C3)CCC1 ZINC001072811820 788859211 /nfs/dbraw/zinc/85/92/11/788859211.db2.gz IAJNZCQEOKQWLB-UHFFFAOYSA-N 1 3 345.491 0.981 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@@H+](CCc2ccnn2C)C3)CCC1 ZINC001072811820 788859223 /nfs/dbraw/zinc/85/92/23/788859223.db2.gz IAJNZCQEOKQWLB-UHFFFAOYSA-N 1 3 345.491 0.981 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001075090691 788892317 /nfs/dbraw/zinc/89/23/17/788892317.db2.gz JULVEZVIWCADQG-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@H]1[C@@H](NCc2cccc(C(N)=O)c2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075106469 788913483 /nfs/dbraw/zinc/91/34/83/788913483.db2.gz CWUYENWQOSZOBP-XKQJLSEDSA-N 1 3 344.459 0.816 20 0 ECADHO C[C@H]1[C@@H](NCc2cccc(C(N)=O)c2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075106469 788913486 /nfs/dbraw/zinc/91/34/86/788913486.db2.gz CWUYENWQOSZOBP-XKQJLSEDSA-N 1 3 344.459 0.816 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)C1=O ZINC001075169937 789018816 /nfs/dbraw/zinc/01/88/16/789018816.db2.gz PIPXYMHBXMZBDZ-QIIPPGSGSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]Cc1ccnn1C ZINC001075334650 789227382 /nfs/dbraw/zinc/22/73/82/789227382.db2.gz BDGWJRQFPVIFEB-KGLIPLIRSA-N 1 3 330.436 0.960 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073038984 789322998 /nfs/dbraw/zinc/32/29/98/789322998.db2.gz VMCOMXCABHNUCA-AWEZNQCLSA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001073038984 789323007 /nfs/dbraw/zinc/32/30/07/789323007.db2.gz VMCOMXCABHNUCA-AWEZNQCLSA-N 1 3 347.463 0.710 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001067010649 792572617 /nfs/dbraw/zinc/57/26/17/792572617.db2.gz RSHLODKTBINUOR-JKSUJKDBSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C ZINC001068081524 792647966 /nfs/dbraw/zinc/64/79/66/792647966.db2.gz CSJXKBYBHSPHDA-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001267428903 837400384 /nfs/dbraw/zinc/40/03/84/837400384.db2.gz GHRINOPPYKKJRJ-CABCVRRESA-N 1 3 345.509 0.201 20 0 ECADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCCN1CCN(CCO)CC1 ZINC001266274027 835596743 /nfs/dbraw/zinc/59/67/43/835596743.db2.gz XCWPXPVDFRRODI-QGZVFWFLSA-N 1 3 340.512 0.366 20 0 ECADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCCN1CCN(CCO)CC1 ZINC001266274027 835596749 /nfs/dbraw/zinc/59/67/49/835596749.db2.gz XCWPXPVDFRRODI-QGZVFWFLSA-N 1 3 340.512 0.366 20 0 ECADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(O)cc2)C1)N(C)C ZINC001266712716 836186306 /nfs/dbraw/zinc/18/63/06/836186306.db2.gz BBBRJRRQUOCTQY-LZWOXQAQSA-N 1 3 348.447 0.908 20 0 ECADHO CC(C)CNC(=O)CNCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798149 836320206 /nfs/dbraw/zinc/32/02/06/836320206.db2.gz LKHTXRBEGREOPQ-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1CCCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001266808593 836331201 /nfs/dbraw/zinc/33/12/01/836331201.db2.gz KUHPOQSRTKCUET-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266939777 836497478 /nfs/dbraw/zinc/49/74/78/836497478.db2.gz OHSRLOZPWHESRR-STQMWFEESA-N 1 3 338.452 0.150 20 0 ECADHO CC(C)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267002551 836597362 /nfs/dbraw/zinc/59/73/62/836597362.db2.gz OEDKCLFUOIHQLC-AWEZNQCLSA-N 1 3 335.452 0.553 20 0 ECADHO CCS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267006951 836605490 /nfs/dbraw/zinc/60/54/90/836605490.db2.gz XZBQUUGYDLFJQH-KBPBESRZSA-N 1 3 331.482 0.096 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001267026738 836645896 /nfs/dbraw/zinc/64/58/96/836645896.db2.gz TWPNQIWXLLYCNJ-JKSUJKDBSA-N 1 3 327.469 0.713 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001267293282 837146865 /nfs/dbraw/zinc/14/68/65/837146865.db2.gz PJQSMEVZPUVBKR-JKSUJKDBSA-N 1 3 327.469 0.306 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001267293282 837146871 /nfs/dbraw/zinc/14/68/71/837146871.db2.gz PJQSMEVZPUVBKR-JKSUJKDBSA-N 1 3 327.469 0.306 20 0 ECADHO CCN(CCNC(=O)[C@H](C(C)C)N(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408774880 838394575 /nfs/dbraw/zinc/39/45/75/838394575.db2.gz IFFMUWIGHWEAJQ-CABCVRRESA-N 1 3 326.485 0.489 20 0 ECADHO CCN(CCNC(=O)[C@H](C(C)C)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408774880 838394585 /nfs/dbraw/zinc/39/45/85/838394585.db2.gz IFFMUWIGHWEAJQ-CABCVRRESA-N 1 3 326.485 0.489 20 0 ECADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001408845289 838641117 /nfs/dbraw/zinc/64/11/17/838641117.db2.gz UMKGJRSOWWSAEQ-BZUAXINKSA-N 1 3 338.496 0.774 20 0 ECADHO CCCN(CCNC(=O)Cc1nc[nH]c1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001408879582 838912585 /nfs/dbraw/zinc/91/25/85/838912585.db2.gz ZMOWZINSCCJKCO-OAHLLOKOSA-N 1 3 349.479 0.957 20 0 ECADHO CCCN(CCNC(=O)Cc1nc[nH]c1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001408879582 838912592 /nfs/dbraw/zinc/91/25/92/838912592.db2.gz ZMOWZINSCCJKCO-OAHLLOKOSA-N 1 3 349.479 0.957 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CC1 ZINC000423224141 290637402 /nfs/dbraw/zinc/63/74/02/290637402.db2.gz IJENAGNPOZAAAR-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@@H]1C ZINC000354661656 299088654 /nfs/dbraw/zinc/08/86/54/299088654.db2.gz LURMGARVCMWDBG-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@@H]1C ZINC000354661656 299088657 /nfs/dbraw/zinc/08/86/57/299088657.db2.gz LURMGARVCMWDBG-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CCC1 ZINC000354682678 299096270 /nfs/dbraw/zinc/09/62/70/299096270.db2.gz LPKDRBMXQQJIES-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H](O)CCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000426311643 210145426 /nfs/dbraw/zinc/14/54/26/210145426.db2.gz QUAPKIBVXAWAAE-AWEZNQCLSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354787123 299126932 /nfs/dbraw/zinc/12/69/32/299126932.db2.gz KSPPXMMMPDXEAJ-GASCZTMLSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1(C)C ZINC000425754803 210091311 /nfs/dbraw/zinc/09/13/11/210091311.db2.gz JDRHGCMMXTUEPY-JKSUJKDBSA-N 1 3 337.512 0.748 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1(C)C ZINC000425754803 210091314 /nfs/dbraw/zinc/09/13/14/210091314.db2.gz JDRHGCMMXTUEPY-JKSUJKDBSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354798920 299130662 /nfs/dbraw/zinc/13/06/62/299130662.db2.gz VGQPVCMCZMLYFU-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](NC(=O)NCCN1CC[NH2+]CC1)[C@H](c1ccccc1)N(C)C ZINC000418161561 299154966 /nfs/dbraw/zinc/15/49/66/299154966.db2.gz BYAHZYFWRCTULE-DOTOQJQBSA-N 1 3 333.480 0.882 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000423059954 209696664 /nfs/dbraw/zinc/69/66/64/209696664.db2.gz GXDAOEMVNJWJEE-UHFFFAOYSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000355307861 299236341 /nfs/dbraw/zinc/23/63/41/299236341.db2.gz BYQGCNNLXIGEDQ-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000355307865 299236685 /nfs/dbraw/zinc/23/66/85/299236685.db2.gz BYQGCNNLXIGEDQ-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420022908 283217972 /nfs/dbraw/zinc/21/79/72/283217972.db2.gz AFFBGHVHMVBGGG-KGLIPLIRSA-N 1 3 342.484 0.406 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423419306 283231944 /nfs/dbraw/zinc/23/19/44/283231944.db2.gz VQYNSADLXCLBES-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420374660 209358483 /nfs/dbraw/zinc/35/84/83/209358483.db2.gz HVHVLVVXHFQQDR-LSDHHAIUSA-N 1 3 333.498 0.534 20 0 ECADHO c1ccc(-n2nnnc2CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420320418 209353269 /nfs/dbraw/zinc/35/32/69/209353269.db2.gz QETJDLADHIYKNK-MRXNPFEDSA-N 1 3 341.463 0.780 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420117666 209311745 /nfs/dbraw/zinc/31/17/45/209311745.db2.gz HYFHHCPCNBTEEA-HOTGVXAUSA-N 1 3 340.512 0.927 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420085577 209301936 /nfs/dbraw/zinc/30/19/36/209301936.db2.gz NQQXVSFBJQTBFQ-ZBFHGGJFSA-N 1 3 338.496 0.714 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420085577 209301938 /nfs/dbraw/zinc/30/19/38/209301938.db2.gz NQQXVSFBJQTBFQ-ZBFHGGJFSA-N 1 3 338.496 0.714 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000420083068 209301693 /nfs/dbraw/zinc/30/16/93/209301693.db2.gz SBUMUCPYACQTKT-AWEZNQCLSA-N 1 3 342.484 0.189 20 0 ECADHO NC[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000420069290 209297359 /nfs/dbraw/zinc/29/73/59/209297359.db2.gz VQNOEKLPZCVLNP-KBMXLJTQSA-N 1 3 334.464 0.315 20 0 ECADHO NC[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000420069290 209297360 /nfs/dbraw/zinc/29/73/60/209297360.db2.gz VQNOEKLPZCVLNP-KBMXLJTQSA-N 1 3 334.464 0.315 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000420043613 209287377 /nfs/dbraw/zinc/28/73/77/209287377.db2.gz SAEIOXRRGKCJLI-STQMWFEESA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000262207232 201203375 /nfs/dbraw/zinc/20/33/75/201203375.db2.gz SSUZIWWKPXKYOR-SFHVURJKSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000419993738 209271750 /nfs/dbraw/zinc/27/17/50/209271750.db2.gz FYAIMJHXZLBQHO-CYBMUJFWSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000359328454 201370279 /nfs/dbraw/zinc/37/02/79/201370279.db2.gz YYVBUGLUKCYVLR-LBPRGKRZSA-N 1 3 327.450 0.441 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000419971367 209265504 /nfs/dbraw/zinc/26/55/04/209265504.db2.gz DOACJRMYYZQBRX-CQSZACIVSA-N 1 3 340.493 0.738 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000419954325 209259442 /nfs/dbraw/zinc/25/94/42/209259442.db2.gz MDBOFLHOABSZHM-CABCVRRESA-N 1 3 342.484 0.045 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000419947202 209256650 /nfs/dbraw/zinc/25/66/50/209256650.db2.gz CFHAEHNGLJTBMF-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC[C@H]21 ZINC000419925439 209250705 /nfs/dbraw/zinc/25/07/05/209250705.db2.gz IRGWWDQBKUIZAC-BRWVUGGUSA-N 1 3 344.459 0.745 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC[C@H]21 ZINC000419925439 209250710 /nfs/dbraw/zinc/25/07/10/209250710.db2.gz IRGWWDQBKUIZAC-BRWVUGGUSA-N 1 3 344.459 0.745 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419915015 209247937 /nfs/dbraw/zinc/24/79/37/209247937.db2.gz OWTJGTBBCUYOLC-WBVHZDCISA-N 1 3 346.475 0.993 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419915015 209247943 /nfs/dbraw/zinc/24/79/43/209247943.db2.gz OWTJGTBBCUYOLC-WBVHZDCISA-N 1 3 346.475 0.993 20 0 ECADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419857793 209227737 /nfs/dbraw/zinc/22/77/37/209227737.db2.gz VHBGDUYUBLFKDN-INIZCTEOSA-N 1 3 336.480 0.722 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)N1CCN(C)CC1 ZINC000356280865 299373843 /nfs/dbraw/zinc/37/38/43/299373843.db2.gz NRWVETALTPUNRG-QGZVFWFLSA-N 1 3 348.495 0.487 20 0 ECADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)C1CC1 ZINC000419765135 209200119 /nfs/dbraw/zinc/20/01/19/209200119.db2.gz PZWQTXMZPLVONN-QGZVFWFLSA-N 1 3 344.459 0.349 20 0 ECADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419729175 209190034 /nfs/dbraw/zinc/19/00/34/209190034.db2.gz NXZPKZXJCXZMPV-YOEHRIQHSA-N 1 3 344.459 0.806 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000419748140 209196629 /nfs/dbraw/zinc/19/66/29/209196629.db2.gz FJAGAVUBCAKPGC-UHFFFAOYSA-N 1 3 342.484 0.108 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419701385 209177482 /nfs/dbraw/zinc/17/74/82/209177482.db2.gz UCCMTFVJNFYVFJ-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419695022 209174382 /nfs/dbraw/zinc/17/43/82/209174382.db2.gz KHHQEFXVSDBRJN-MRXNPFEDSA-N 1 3 336.480 0.649 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419692530 209173041 /nfs/dbraw/zinc/17/30/41/209173041.db2.gz HAFRPZREDRKETG-OWCLPIDISA-N 1 3 338.496 0.870 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419692751 209172871 /nfs/dbraw/zinc/17/28/71/209172871.db2.gz HEKHLFYWLVFQEN-HNNXBMFYSA-N 1 3 334.464 0.546 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000419656721 209160632 /nfs/dbraw/zinc/16/06/32/209160632.db2.gz IQZHYJYSONFKTF-BHYGNILZSA-N 1 3 344.459 0.715 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C[C@H]1C[NH3+] ZINC000419645565 209155983 /nfs/dbraw/zinc/15/59/83/209155983.db2.gz PGABQBSOXNSQDN-RHSMWYFYSA-N 1 3 346.475 0.808 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000419528928 209116799 /nfs/dbraw/zinc/11/67/99/209116799.db2.gz XCCMGILDDYKMEV-OAHLLOKOSA-N 1 3 334.464 0.820 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000419528928 209116800 /nfs/dbraw/zinc/11/68/00/209116800.db2.gz XCCMGILDDYKMEV-OAHLLOKOSA-N 1 3 334.464 0.820 20 0 ECADHO COCCOC[C@H](O)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000450341263 211320668 /nfs/dbraw/zinc/32/06/68/211320668.db2.gz JGSFOUCHKYRJDW-XYJFISCASA-N 1 3 344.496 0.832 20 0 ECADHO CCN1CCN(CCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446378508 211142576 /nfs/dbraw/zinc/14/25/76/211142576.db2.gz USOREBSWZCREOM-RLFYNMQTSA-N 1 3 338.496 0.273 20 0 ECADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430652038 210395621 /nfs/dbraw/zinc/39/56/21/210395621.db2.gz WTYVEMCGLUCSIS-OWCLPIDISA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000415272555 208476832 /nfs/dbraw/zinc/47/68/32/208476832.db2.gz UBGFUNAICBIKLJ-CYBMUJFWSA-N 1 3 334.420 0.515 20 0 ECADHO CCCN(C(=O)C(=O)NCc1ccc(CN(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000418999126 208936683 /nfs/dbraw/zinc/93/66/83/208936683.db2.gz QMOSIPPRQSHUEK-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000419149348 209001869 /nfs/dbraw/zinc/00/18/69/209001869.db2.gz KBWSDNWIULQODS-MRXNPFEDSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419154855 209004420 /nfs/dbraw/zinc/00/44/20/209004420.db2.gz SBNKFUMRQIMPBN-ZDUSSCGKSA-N 1 3 336.436 0.049 20 0 ECADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419427268 209093047 /nfs/dbraw/zinc/09/30/47/209093047.db2.gz RROYYXSYVGCXJZ-INIZCTEOSA-N 1 3 330.432 0.029 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000419198952 209020860 /nfs/dbraw/zinc/02/08/60/209020860.db2.gz DAKLLGPVNMJBEE-HNNXBMFYSA-N 1 3 348.447 0.193 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000419230269 209034500 /nfs/dbraw/zinc/03/45/00/209034500.db2.gz PPGBRXQWOPMGRM-KFWWJZLASA-N 1 3 346.475 0.723 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC[C@@H]1[NH3+] ZINC000419230690 209034508 /nfs/dbraw/zinc/03/45/08/209034508.db2.gz QHFSEYSWRIWULS-BMFZPTHFSA-N 1 3 336.480 0.563 20 0 ECADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419232351 209034844 /nfs/dbraw/zinc/03/48/44/209034844.db2.gz UONUHVJUJWSTMW-IKGGRYGDSA-N 1 3 348.491 0.720 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419232056 209034964 /nfs/dbraw/zinc/03/49/64/209034964.db2.gz UDQKBRRZQWARCN-JKSUJKDBSA-N 1 3 338.496 0.857 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419285095 209049484 /nfs/dbraw/zinc/04/94/84/209049484.db2.gz MHUBOCAMMYSQCV-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419420109 209088960 /nfs/dbraw/zinc/08/89/60/209088960.db2.gz JVCOZJGLJWXLEZ-UHFFFAOYSA-N 1 3 332.448 0.277 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458425191 285320871 /nfs/dbraw/zinc/32/08/71/285320871.db2.gz DDVWCVZEOZYUBI-OAHLLOKOSA-N 1 3 327.517 0.899 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417019379 286831071 /nfs/dbraw/zinc/83/10/71/286831071.db2.gz IRKNWZCIHRTVFQ-LSDHHAIUSA-N 1 3 339.484 0.357 20 0 ECADHO CC(C)[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)N1CCN(C)CC1 ZINC000188923568 165004522 /nfs/dbraw/zinc/00/45/22/165004522.db2.gz GVPNJFCPWPAPCB-OAHLLOKOSA-N 1 3 334.468 0.057 20 0 ECADHO CSCC[C@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000237312933 165096376 /nfs/dbraw/zinc/09/63/76/165096376.db2.gz HMJGZAWKRIBNMS-STQMWFEESA-N 1 3 330.498 0.126 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1=O ZINC000261660375 165223381 /nfs/dbraw/zinc/22/33/81/165223381.db2.gz FFTRSQCSJIMKCO-CYBMUJFWSA-N 1 3 348.422 0.820 20 0 ECADHO NC(=O)c1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261800602 165245612 /nfs/dbraw/zinc/24/56/12/165245612.db2.gz AADAODWOVGLIKR-NVXWUHKLSA-N 1 3 344.459 0.866 20 0 ECADHO NC(=O)c1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261800623 165245640 /nfs/dbraw/zinc/24/56/40/165245640.db2.gz AADAODWOVGLIKR-WBVHZDCISA-N 1 3 344.459 0.866 20 0 ECADHO CN(C)C1(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CCCCC1 ZINC000262252795 165316012 /nfs/dbraw/zinc/31/60/12/165316012.db2.gz SRPWCXNTUNLFPU-UHFFFAOYSA-N 1 3 345.509 0.534 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419377709 209073642 /nfs/dbraw/zinc/07/36/42/209073642.db2.gz UIFKFYUUMAHFAX-AWEZNQCLSA-N 1 3 346.475 0.174 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])Cc1ccccc1 ZINC000419382997 209075440 /nfs/dbraw/zinc/07/54/40/209075440.db2.gz ZQKHOCXPBBBZPA-GOEBONIOSA-N 1 3 334.464 0.519 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000419408487 209084507 /nfs/dbraw/zinc/08/45/07/209084507.db2.gz LUAHMMQXEKUFHW-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO Cn1nccc1CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712259 782032956 /nfs/dbraw/zinc/03/29/56/782032956.db2.gz LWZRNFLXDMEMDS-SFHVURJKSA-N 1 3 342.447 0.853 20 0 ECADHO Cn1nccc1CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712259 782032967 /nfs/dbraw/zinc/03/29/67/782032967.db2.gz LWZRNFLXDMEMDS-SFHVURJKSA-N 1 3 342.447 0.853 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000175794980 263152397 /nfs/dbraw/zinc/15/23/97/263152397.db2.gz XCGDWMGLNUATNI-IKGGRYGDSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000175794980 263152398 /nfs/dbraw/zinc/15/23/98/263152398.db2.gz XCGDWMGLNUATNI-IKGGRYGDSA-N 1 3 339.528 0.994 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC000190004952 263163427 /nfs/dbraw/zinc/16/34/27/263163427.db2.gz NRWQYTBWVQQJBN-HIFRSBDPSA-N 1 3 340.468 0.701 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000189774367 263163578 /nfs/dbraw/zinc/16/35/78/263163578.db2.gz DWRSJUKNMGGHGQ-MRXNPFEDSA-N 1 3 327.517 0.853 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000237889029 263175139 /nfs/dbraw/zinc/17/51/39/263175139.db2.gz OUVYGCWSLVAHJI-KRWDZBQOSA-N 1 3 339.480 0.858 20 0 ECADHO C[C@@H]([NH2+]C1CC1)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000295268498 265057257 /nfs/dbraw/zinc/05/72/57/265057257.db2.gz VJYXPTYLZLIGLN-CYBMUJFWSA-N 1 3 332.448 0.735 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCCC(=O)N3)CC2)CC1 ZINC000193955420 277027007 /nfs/dbraw/zinc/02/70/07/277027007.db2.gz PWSMJCUVQMQGGS-INIZCTEOSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000419383327 277751623 /nfs/dbraw/zinc/75/16/23/277751623.db2.gz ZYSJQOPZBYISDM-JKSUJKDBSA-N 1 3 340.512 0.959 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000419770873 278180560 /nfs/dbraw/zinc/18/05/60/278180560.db2.gz XEHZBGQPXCDXSG-PBHICJAKSA-N 1 3 346.475 0.724 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418620983 278248912 /nfs/dbraw/zinc/24/89/12/278248912.db2.gz RLAXKXSRVNAIRG-WMZOPIPTSA-N 1 3 345.491 0.935 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418825590 278976444 /nfs/dbraw/zinc/97/64/44/278976444.db2.gz ADSOMCYIJHVKQJ-IRXDYDNUSA-N 1 3 348.491 0.765 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419126642 279303768 /nfs/dbraw/zinc/30/37/68/279303768.db2.gz XPKUSOSGFMZUFD-QAPCUYQASA-N 1 3 336.480 0.579 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000417742556 279361705 /nfs/dbraw/zinc/36/17/05/279361705.db2.gz BHJNOVQXPXEVSL-CVEARBPZSA-N 1 3 327.517 0.933 20 0 ECADHO C[C@@H]1CN(CC[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)C[C@H](C)O1 ZINC000414743190 288165927 /nfs/dbraw/zinc/16/59/27/288165927.db2.gz OHBNAPPMIRULPT-XHSDSOJGSA-N 1 3 326.485 0.225 20 0 ECADHO C[C@@H]1CN(CC[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)C[C@H](C)O1 ZINC000414743190 288165933 /nfs/dbraw/zinc/16/59/33/288165933.db2.gz OHBNAPPMIRULPT-XHSDSOJGSA-N 1 3 326.485 0.225 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419374153 280283612 /nfs/dbraw/zinc/28/36/12/280283612.db2.gz NWKHVOLAZGZQDY-MRXNPFEDSA-N 1 3 346.475 0.301 20 0 ECADHO CC[C@H]1CN(CC)CCN1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000458422203 288283555 /nfs/dbraw/zinc/28/35/55/288283555.db2.gz BOPUZBBFUWPQQA-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCC1 ZINC000354687321 282027121 /nfs/dbraw/zinc/02/71/21/282027121.db2.gz QMYXWRHPJRLOIY-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)CCN(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621920 289128772 /nfs/dbraw/zinc/12/87/72/289128772.db2.gz UOTJHJKLFWZWCR-NSHDSACASA-N 1 3 325.379 0.026 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420024008 289134743 /nfs/dbraw/zinc/13/47/43/289134743.db2.gz AAPZANGVBQSMQW-INIZCTEOSA-N 1 3 338.496 0.810 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332113044 297003593 /nfs/dbraw/zinc/00/35/93/297003593.db2.gz CNQIYNFXZAOSKS-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332113044 297003594 /nfs/dbraw/zinc/00/35/94/297003594.db2.gz CNQIYNFXZAOSKS-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000332202563 297016300 /nfs/dbraw/zinc/01/63/00/297016300.db2.gz STTCQOQTZNAOKG-USXIJHARSA-N 1 3 337.512 0.781 20 0 ECADHO CO[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@H](C[NH3+])C1 ZINC000261619434 293758376 /nfs/dbraw/zinc/75/83/76/293758376.db2.gz BSSZNCSMGZKVKZ-LSDHHAIUSA-N 1 3 341.477 0.875 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343672556 437621926 /nfs/dbraw/zinc/62/19/26/437621926.db2.gz MDOGZROTNOSRQU-UHFFFAOYSA-N 1 3 326.485 0.776 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343672556 437621930 /nfs/dbraw/zinc/62/19/30/437621930.db2.gz MDOGZROTNOSRQU-UHFFFAOYSA-N 1 3 326.485 0.776 20 0 ECADHO Cc1nc2cncc(N3CCN(C[C@@H]4CC[NH2+][C@H](C)C4)CC3)n2n1 ZINC000333183276 297116522 /nfs/dbraw/zinc/11/65/22/297116522.db2.gz QEZSOGSHVLXNHR-UKRRQHHQSA-N 1 3 329.452 0.943 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)C[C@@H]21 ZINC000333638363 297146223 /nfs/dbraw/zinc/14/62/23/297146223.db2.gz HTXCQQLUTQDVPN-FRRDWIJNSA-N 1 3 349.401 0.168 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000338325969 297257611 /nfs/dbraw/zinc/25/76/11/297257611.db2.gz SHRUFEHMNLNJQL-HZPDHXFCSA-N 1 3 327.517 0.898 20 0 ECADHO CC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(=O)OC ZINC000338729200 297292231 /nfs/dbraw/zinc/29/22/31/297292231.db2.gz UJYMZCCEMBYDSH-OAHLLOKOSA-N 1 3 325.453 0.860 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000339618043 297365127 /nfs/dbraw/zinc/36/51/27/297365127.db2.gz FAYKOAWHOMOJLC-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000346167551 298232407 /nfs/dbraw/zinc/23/24/07/298232407.db2.gz FZIBBNPRNLBWFC-HCAJQNDMSA-N 1 3 340.512 0.781 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346167551 298232410 /nfs/dbraw/zinc/23/24/10/298232410.db2.gz FZIBBNPRNLBWFC-HCAJQNDMSA-N 1 3 340.512 0.781 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000352096946 298884969 /nfs/dbraw/zinc/88/49/69/298884969.db2.gz MGNHSRCXKNPWEG-MRXNPFEDSA-N 1 3 326.485 0.714 20 0 ECADHO CCC[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N(C)C ZINC000353046670 299006087 /nfs/dbraw/zinc/00/60/87/299006087.db2.gz UVHAQJNEFUSVHS-ARFHVFGLSA-N 1 3 338.496 0.824 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000353276468 299030735 /nfs/dbraw/zinc/03/07/35/299030735.db2.gz MMGGVLSEXBPBHG-OAHLLOKOSA-N 1 3 342.484 0.242 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000353334712 299039943 /nfs/dbraw/zinc/03/99/43/299039943.db2.gz FXZPZLDNCIBXNT-HZPDHXFCSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC000353334712 299039946 /nfs/dbraw/zinc/03/99/46/299039946.db2.gz FXZPZLDNCIBXNT-HZPDHXFCSA-N 1 3 325.501 0.748 20 0 ECADHO CC1CCN(CC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000353349243 299041422 /nfs/dbraw/zinc/04/14/22/299041422.db2.gz FYUSGZFPYZDSID-UHFFFAOYSA-N 1 3 338.496 0.635 20 0 ECADHO CSC1(CNC(=O)NC[C@@]2(O)CCN(C)C2)CC[NH+](C)CC1 ZINC000360694132 300016630 /nfs/dbraw/zinc/01/66/30/300016630.db2.gz LHXHASULNVDGSZ-AWEZNQCLSA-N 1 3 330.498 0.180 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@@H]2COC[C@@H]2O)CC1 ZINC000361323743 300082745 /nfs/dbraw/zinc/08/27/45/300082745.db2.gz ITMPSNQEZMSXSF-CABCVRRESA-N 1 3 327.469 0.162 20 0 ECADHO COCC[NH+](CCOC)C1CCN(CCN2CCCOCC2)CC1 ZINC000361383175 300087820 /nfs/dbraw/zinc/08/78/20/300087820.db2.gz ZTCGYJPQCUKPPE-UHFFFAOYSA-N 1 3 343.512 0.768 20 0 ECADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000361780912 300124763 /nfs/dbraw/zinc/12/47/63/300124763.db2.gz MECUZVJQNRVSMA-MOPGFXCFSA-N 1 3 343.471 0.864 20 0 ECADHO O=C(NC[C@H](O)CN1CCc2ccccc2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000361780914 300124769 /nfs/dbraw/zinc/12/47/69/300124769.db2.gz MECUZVJQNRVSMA-OALUTQOASA-N 1 3 343.471 0.864 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000361907495 300141811 /nfs/dbraw/zinc/14/18/11/300141811.db2.gz PBAKWDJDVIKSGQ-AWEZNQCLSA-N 1 3 336.436 0.034 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000073904930 436096081 /nfs/dbraw/zinc/09/60/81/436096081.db2.gz SSEMPDWNDMAPFX-JKSUJKDBSA-N 1 3 327.517 0.899 20 0 ECADHO CN(CCCN1CCN(C)CC1)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000376210904 301243071 /nfs/dbraw/zinc/24/30/71/301243071.db2.gz OAWNYISOWJSZJL-HNNXBMFYSA-N 1 3 334.468 0.095 20 0 ECADHO CN(CCC[NH+]1CCN(C)CC1)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000376210904 301243073 /nfs/dbraw/zinc/24/30/73/301243073.db2.gz OAWNYISOWJSZJL-HNNXBMFYSA-N 1 3 334.468 0.095 20 0 ECADHO C[C@@H](CNC(=O)NCCCCN1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000077593394 436242119 /nfs/dbraw/zinc/24/21/19/436242119.db2.gz HFCNANOTQPNYLP-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H](CNC(=O)NCCCCN1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000077593394 436242123 /nfs/dbraw/zinc/24/21/23/436242123.db2.gz HFCNANOTQPNYLP-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000515387008 301640290 /nfs/dbraw/zinc/64/02/90/301640290.db2.gz WAUGBIGGSZOHOU-GGKPKWOWSA-N 1 3 336.480 0.622 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000519608907 301749155 /nfs/dbraw/zinc/74/91/55/301749155.db2.gz PJHYYKSKVYCRLE-CJNGLKHVSA-N 1 3 332.448 0.528 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccccc1C(N)=O ZINC000526958263 301848032 /nfs/dbraw/zinc/84/80/32/301848032.db2.gz LADWFTMERLSFQF-UHFFFAOYSA-N 1 3 334.464 0.670 20 0 ECADHO C[C@@H](NC(=O)c1cccs1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103210936 436554180 /nfs/dbraw/zinc/55/41/80/436554180.db2.gz VRLCSJMPOPDJBK-CYBMUJFWSA-N 1 3 340.493 0.818 20 0 ECADHO CCC(=O)N1CCC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000103212703 436554277 /nfs/dbraw/zinc/55/42/77/436554277.db2.gz SEKCYXMHIQQIKJ-HNNXBMFYSA-N 1 3 326.485 0.587 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1cnc2ccccc2c1=O ZINC000104532792 436559315 /nfs/dbraw/zinc/55/93/15/436559315.db2.gz DSPHOMDKYVOSKZ-UHFFFAOYSA-N 1 3 345.447 0.348 20 0 ECADHO CC(C)[C@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C ZINC000106914975 436604795 /nfs/dbraw/zinc/60/47/95/436604795.db2.gz CBMJSJOOVXNSEZ-HUUCEWRRSA-N 1 3 326.485 0.632 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NC[C@@H](C)CN2CCOCC2)CC1 ZINC000531300784 302048469 /nfs/dbraw/zinc/04/84/69/302048469.db2.gz AYTDWUIKHLUXDB-MRXNPFEDSA-N 1 3 326.485 0.099 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000547297631 302254481 /nfs/dbraw/zinc/25/44/81/302254481.db2.gz FZRCRYKYOFRWLU-DOTOQJQBSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000552518441 302394279 /nfs/dbraw/zinc/39/42/79/302394279.db2.gz CKRXKZTVZOTXAL-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(=O)N(C)C)CC2)CC1 ZINC000552883369 302398756 /nfs/dbraw/zinc/39/87/56/302398756.db2.gz ZUUPSVAONCXLIK-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120915542 436701947 /nfs/dbraw/zinc/70/19/47/436701947.db2.gz DOVJPSQTVBDBNP-ZNMIVQPWSA-N 1 3 326.485 0.935 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)C1)N(C)C ZINC000067162024 436707463 /nfs/dbraw/zinc/70/74/63/436707463.db2.gz BJMAGDAQMVGDPW-FPCVCCKLSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)C1)N(C)C ZINC000067162024 436707465 /nfs/dbraw/zinc/70/74/65/436707465.db2.gz BJMAGDAQMVGDPW-FPCVCCKLSA-N 1 3 340.512 0.925 20 0 ECADHO CC[N@H+](C)CCNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000067411806 436713045 /nfs/dbraw/zinc/71/30/45/436713045.db2.gz VGJWRQKKQYEZNY-UHFFFAOYSA-N 1 3 349.479 0.729 20 0 ECADHO CC[N@@H+](C)CCNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000067411806 436713048 /nfs/dbraw/zinc/71/30/48/436713048.db2.gz VGJWRQKKQYEZNY-UHFFFAOYSA-N 1 3 349.479 0.729 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1C)N(C)C ZINC000152090072 436719246 /nfs/dbraw/zinc/71/92/46/436719246.db2.gz JGKMIXGJORFNND-KKUMJFAQSA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H](C)C1)N(C)C ZINC000152090072 436719249 /nfs/dbraw/zinc/71/92/49/436719249.db2.gz JGKMIXGJORFNND-KKUMJFAQSA-N 1 3 326.485 0.726 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000558957749 302484751 /nfs/dbraw/zinc/48/47/51/302484751.db2.gz JWQXFGVOBPQTPN-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000152680668 436738050 /nfs/dbraw/zinc/73/80/50/436738050.db2.gz JNFBSXSERRNGII-IBGZPJMESA-N 1 3 348.491 0.871 20 0 ECADHO [NH3+]C1(C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000237889738 436747576 /nfs/dbraw/zinc/74/75/76/436747576.db2.gz JTBYCWAEJLJPNP-MRXNPFEDSA-N 1 3 343.475 0.934 20 0 ECADHO COC[C@H](O)CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000128446187 436815332 /nfs/dbraw/zinc/81/53/32/436815332.db2.gz IOOMKDSXNKUUEG-QGZVFWFLSA-N 1 3 341.496 0.698 20 0 ECADHO CSCC[C@@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000157308475 436827122 /nfs/dbraw/zinc/82/71/22/436827122.db2.gz LGMKDXZTIQZZEM-HUUCEWRRSA-N 1 3 328.526 0.695 20 0 ECADHO CSCC[C@@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000157308475 436827123 /nfs/dbraw/zinc/82/71/23/436827123.db2.gz LGMKDXZTIQZZEM-HUUCEWRRSA-N 1 3 328.526 0.695 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CC[NH2+]1 ZINC000262415780 436932362 /nfs/dbraw/zinc/93/23/62/436932362.db2.gz UCJIONROMTUXNE-YOEHRIQHSA-N 1 3 346.475 0.982 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000262468702 436936107 /nfs/dbraw/zinc/93/61/07/436936107.db2.gz WORQEJVTVAHQLD-FGTMMUONSA-N 1 3 346.475 0.204 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000263073790 436950672 /nfs/dbraw/zinc/95/06/72/436950672.db2.gz CBRQIFYTUKUXPB-KRWDZBQOSA-N 1 3 338.496 0.999 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000419425334 303415683 /nfs/dbraw/zinc/41/56/83/303415683.db2.gz PJDFGPGTHUAOPS-DLBZAZTESA-N 1 3 344.459 0.793 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1C ZINC000331712851 437149452 /nfs/dbraw/zinc/14/94/52/437149452.db2.gz LTCUQUZISWUMFX-KLHDSHLOSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN1C ZINC000331712851 437149455 /nfs/dbraw/zinc/14/94/55/437149455.db2.gz LTCUQUZISWUMFX-KLHDSHLOSA-N 1 3 336.480 0.671 20 0 ECADHO [NH3+]C1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000331659897 437138298 /nfs/dbraw/zinc/13/82/98/437138298.db2.gz UDYDFFAJSBCMKY-UHFFFAOYSA-N 1 3 337.468 0.206 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331987113 437190757 /nfs/dbraw/zinc/19/07/57/437190757.db2.gz UDBUCYPSGFRJLH-FZKCQIBNSA-N 1 3 336.480 0.563 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332304485 437212095 /nfs/dbraw/zinc/21/20/95/437212095.db2.gz ILDJZWAMMIHSLP-ARFHVFGLSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)c1cc(C(=O)N[C@@H](C)C[NH+](C)C)ccn1 ZINC000287198573 437170417 /nfs/dbraw/zinc/17/04/17/437170417.db2.gz MTNTWHSONGOFSZ-STQMWFEESA-N 1 3 335.452 0.441 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)c1ccnc(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000287198573 437170420 /nfs/dbraw/zinc/17/04/20/437170420.db2.gz MTNTWHSONGOFSZ-STQMWFEESA-N 1 3 335.452 0.441 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000332402446 437219354 /nfs/dbraw/zinc/21/93/54/437219354.db2.gz GUUNIIYJJGGTBO-OWCLPIDISA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000332546093 437229815 /nfs/dbraw/zinc/22/98/15/437229815.db2.gz GKOMONFMFLZRMK-LBDPXKHJSA-N 1 3 336.480 0.671 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1(C)C ZINC000333733317 437284639 /nfs/dbraw/zinc/28/46/39/437284639.db2.gz IAUWPHZOOXHQPF-QGZVFWFLSA-N 1 3 325.501 0.701 20 0 ECADHO CN1CCN(CCNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1(C)C ZINC000333800705 437286072 /nfs/dbraw/zinc/28/60/72/437286072.db2.gz OBFAHIZUCIYWJU-ARFHVFGLSA-N 1 3 337.512 0.781 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333815587 437289108 /nfs/dbraw/zinc/28/91/08/437289108.db2.gz KAPKIYFPHVUTIN-LSDHHAIUSA-N 1 3 337.468 0.077 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)CC1CCS(=O)(=O)CC1 ZINC000336854571 437300186 /nfs/dbraw/zinc/30/01/86/437300186.db2.gz FMYPWRAVUVNROK-UHFFFAOYSA-N 1 3 331.526 0.769 20 0 ECADHO CO[C@H](C[NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000290253762 437473817 /nfs/dbraw/zinc/47/38/17/437473817.db2.gz WSRUXEBDPPGVCV-QGZVFWFLSA-N 1 3 334.464 0.284 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000289755263 437439754 /nfs/dbraw/zinc/43/97/54/437439754.db2.gz HTPWYJBNNCFIOF-AWEZNQCLSA-N 1 3 337.420 0.524 20 0 ECADHO CNS(=O)(=O)c1cccc([C@@H](C)NCC2(O)CC[NH+](C)CC2)c1 ZINC000268978256 437443166 /nfs/dbraw/zinc/44/31/66/437443166.db2.gz JZYKIJAXTWFDRU-CYBMUJFWSA-N 1 3 341.477 0.702 20 0 ECADHO CCN(CCO)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000187307456 437497409 /nfs/dbraw/zinc/49/74/09/437497409.db2.gz JRDAPDQXVURAAR-HNNXBMFYSA-N 1 3 342.484 0.101 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CCN(C2CC2)CC1 ZINC000339963147 437529535 /nfs/dbraw/zinc/52/95/35/437529535.db2.gz FQVQLYLEXMSLHK-ZDUSSCGKSA-N 1 3 334.464 0.330 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CCN(C2CC2)CC1 ZINC000339963147 437529540 /nfs/dbraw/zinc/52/95/40/437529540.db2.gz FQVQLYLEXMSLHK-ZDUSSCGKSA-N 1 3 334.464 0.330 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000343303665 437549983 /nfs/dbraw/zinc/54/99/83/437549983.db2.gz UIBFWJKLHPXOHQ-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO CS[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1N(C)C ZINC000330691325 437590041 /nfs/dbraw/zinc/59/00/41/437590041.db2.gz BEUNEWOOVSBTIJ-STQMWFEESA-N 1 3 340.497 0.954 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000340491358 437670009 /nfs/dbraw/zinc/67/00/09/437670009.db2.gz YFYDKFKYBHOEOQ-WMLDXEAASA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000340491358 437670011 /nfs/dbraw/zinc/67/00/11/437670011.db2.gz YFYDKFKYBHOEOQ-WMLDXEAASA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)N(C)C1CC1 ZINC000340493492 437670089 /nfs/dbraw/zinc/67/00/89/437670089.db2.gz UPNZSIKCRQLJNE-CYBMUJFWSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](CNC(=O)C(C)(C)CCC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000362936738 437762889 /nfs/dbraw/zinc/76/28/89/437762889.db2.gz YAHGWMSCYXLOQU-UONOGXRCSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](CNC(=O)C(C)(C)CCC(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000362936738 437762893 /nfs/dbraw/zinc/76/28/93/437762893.db2.gz YAHGWMSCYXLOQU-UONOGXRCSA-N 1 3 328.501 0.925 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000423582838 437768105 /nfs/dbraw/zinc/76/81/05/437768105.db2.gz BCSOPSMDMVSUJI-HUUCEWRRSA-N 1 3 326.485 0.759 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1CCN(C2CC2)CC1)C[NH+]1CCCC1 ZINC000340791485 437735668 /nfs/dbraw/zinc/73/56/68/437735668.db2.gz IEVNPZODEUHWBX-AWEZNQCLSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCN(CCCCNC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000356225701 437754292 /nfs/dbraw/zinc/75/42/92/437754292.db2.gz SCXINOBNLZSKCI-UHFFFAOYSA-N 1 3 348.495 0.632 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC(=O)NC ZINC000341007403 437774626 /nfs/dbraw/zinc/77/46/26/437774626.db2.gz BVEUPVGRMSPZFT-OAHLLOKOSA-N 1 3 341.500 0.570 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC(=O)NC ZINC000341007403 437774629 /nfs/dbraw/zinc/77/46/29/437774629.db2.gz BVEUPVGRMSPZFT-OAHLLOKOSA-N 1 3 341.500 0.570 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000423614691 437780158 /nfs/dbraw/zinc/78/01/58/437780158.db2.gz TWANOJWDVPBIBR-CQSZACIVSA-N 1 3 336.436 0.380 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000356532746 437780864 /nfs/dbraw/zinc/78/08/64/437780864.db2.gz SWTMKZNAEIJBQL-OAGGEKHMSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000356532746 437780869 /nfs/dbraw/zinc/78/08/69/437780869.db2.gz SWTMKZNAEIJBQL-OAGGEKHMSA-N 1 3 338.496 0.822 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)C2)C1 ZINC000423643627 437789225 /nfs/dbraw/zinc/78/92/25/437789225.db2.gz YRGUJLUZPFAPFB-LJQANCHMSA-N 1 3 348.491 0.533 20 0 ECADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000423663063 437795148 /nfs/dbraw/zinc/79/51/48/437795148.db2.gz FQSXACKGJWODMF-MRXNPFEDSA-N 1 3 332.448 0.384 20 0 ECADHO CN(CCN)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423703012 437808303 /nfs/dbraw/zinc/80/83/03/437808303.db2.gz BDQCIWJAHQOITD-IRXDYDNUSA-N 1 3 344.459 0.384 20 0 ECADHO CN(CCN)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423703012 437808307 /nfs/dbraw/zinc/80/83/07/437808307.db2.gz BDQCIWJAHQOITD-IRXDYDNUSA-N 1 3 344.459 0.384 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341175293 437809077 /nfs/dbraw/zinc/80/90/77/437809077.db2.gz XOSWVIAPNVCPSX-HUUCEWRRSA-N 1 3 339.484 0.357 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341175293 437809081 /nfs/dbraw/zinc/80/90/81/437809081.db2.gz XOSWVIAPNVCPSX-HUUCEWRRSA-N 1 3 339.484 0.357 20 0 ECADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000415868689 437873765 /nfs/dbraw/zinc/87/37/65/437873765.db2.gz QNHMZZXINJYRCD-MRXNPFEDSA-N 1 3 348.447 0.572 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000415873399 437876009 /nfs/dbraw/zinc/87/60/09/437876009.db2.gz UTPZLXUCMZEWQT-OAHLLOKOSA-N 1 3 348.447 0.824 20 0 ECADHO CCN(CC)CCCN(CC)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000423792005 437831856 /nfs/dbraw/zinc/83/18/56/437831856.db2.gz YXGBVIVBGMZBDG-UHFFFAOYSA-N 1 3 347.525 0.734 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415627934 437833744 /nfs/dbraw/zinc/83/37/44/437833744.db2.gz TUAMBULOFAEYSU-BBRMVZONSA-N 1 3 348.447 0.680 20 0 ECADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423839044 437841590 /nfs/dbraw/zinc/84/15/90/437841590.db2.gz IZYBKKVBJCQCKN-WBVHZDCISA-N 1 3 346.475 0.881 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])ccc1OCCN(C)C ZINC000415807859 437861201 /nfs/dbraw/zinc/86/12/01/437861201.db2.gz NHDYPVRNZICQFX-STQMWFEESA-N 1 3 336.436 0.726 20 0 ECADHO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371302031 437913489 /nfs/dbraw/zinc/91/34/89/437913489.db2.gz IGVYFYWYSKCUHZ-JKSUJKDBSA-N 1 3 346.541 0.274 20 0 ECADHO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371302031 437913494 /nfs/dbraw/zinc/91/34/94/437913494.db2.gz IGVYFYWYSKCUHZ-JKSUJKDBSA-N 1 3 346.541 0.274 20 0 ECADHO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371302028 437914115 /nfs/dbraw/zinc/91/41/15/437914115.db2.gz IGVYFYWYSKCUHZ-CVEARBPZSA-N 1 3 346.541 0.274 20 0 ECADHO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371302028 437914118 /nfs/dbraw/zinc/91/41/18/437914118.db2.gz IGVYFYWYSKCUHZ-CVEARBPZSA-N 1 3 346.541 0.274 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@@H](CC)[NH+](C)C)C1)N(C)C ZINC000357209616 437931783 /nfs/dbraw/zinc/93/17/83/437931783.db2.gz RQMUBQVBUVRZGW-HUUCEWRRSA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1)N(C)C ZINC000357209616 437931788 /nfs/dbraw/zinc/93/17/88/437931788.db2.gz RQMUBQVBUVRZGW-HUUCEWRRSA-N 1 3 326.485 0.726 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424161638 437897501 /nfs/dbraw/zinc/89/75/01/437897501.db2.gz BZGGHDOGNYHPHK-HOCLYGCPSA-N 1 3 340.431 0.819 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)CC(C)(C)[NH3+] ZINC000371271140 437907757 /nfs/dbraw/zinc/90/77/57/437907757.db2.gz MTSJUBIKJWLISW-UHFFFAOYSA-N 1 3 336.484 0.614 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424497157 437958292 /nfs/dbraw/zinc/95/82/92/437958292.db2.gz WFJSZVKSKDYBPQ-JKSUJKDBSA-N 1 3 330.432 0.136 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342089708 437963108 /nfs/dbraw/zinc/96/31/08/437963108.db2.gz RUCSEHVNLNFVKK-LSDHHAIUSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342089708 437963114 /nfs/dbraw/zinc/96/31/14/437963114.db2.gz RUCSEHVNLNFVKK-LSDHHAIUSA-N 1 3 338.496 0.679 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCNC(C)(C)C2)CC1=O ZINC000357319389 437964245 /nfs/dbraw/zinc/96/42/45/437964245.db2.gz HXFYKYWGWMKTQD-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCNC(C)(C)C2)CC1=O ZINC000357319389 437964252 /nfs/dbraw/zinc/96/42/52/437964252.db2.gz HXFYKYWGWMKTQD-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000347908249 437980762 /nfs/dbraw/zinc/98/07/62/437980762.db2.gz PKNZJOSEWCWNRF-HNNXBMFYSA-N 1 3 326.485 0.587 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)C1CC1 ZINC000341992397 437935883 /nfs/dbraw/zinc/93/58/83/437935883.db2.gz IYDLYSMOOPNRBL-CHWSQXEVSA-N 1 3 326.485 0.678 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417031541 438017668 /nfs/dbraw/zinc/01/76/68/438017668.db2.gz DSHRKSXIVJPBMB-CVEARBPZSA-N 1 3 325.501 0.701 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417360801 438040755 /nfs/dbraw/zinc/04/07/55/438040755.db2.gz BMWRXUOZIWXBGJ-MRXNPFEDSA-N 1 3 346.479 0.597 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000417340960 438042450 /nfs/dbraw/zinc/04/24/50/438042450.db2.gz BACBASPGUJKWQA-HNNXBMFYSA-N 1 3 336.436 0.496 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417376093 438045917 /nfs/dbraw/zinc/04/59/17/438045917.db2.gz BRFKQEUKYBRXRN-HNNXBMFYSA-N 1 3 334.468 0.630 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000417419227 438047744 /nfs/dbraw/zinc/04/77/44/438047744.db2.gz CRIFHOZOIQLOSN-GJZGRUSLSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000425941043 438048261 /nfs/dbraw/zinc/04/82/61/438048261.db2.gz YLOPLVFOTDQERZ-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000425941043 438048264 /nfs/dbraw/zinc/04/82/64/438048264.db2.gz YLOPLVFOTDQERZ-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417428956 438049220 /nfs/dbraw/zinc/04/92/20/438049220.db2.gz MDUIDLZLHMCUIT-UONOGXRCSA-N 1 3 327.473 0.084 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000416969727 438007299 /nfs/dbraw/zinc/00/72/99/438007299.db2.gz LHEGPRBXGJQBAW-MRXNPFEDSA-N 1 3 336.436 0.415 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000416969085 438009433 /nfs/dbraw/zinc/00/94/33/438009433.db2.gz KCNUNYYANIWQLV-INIZCTEOSA-N 1 3 336.436 0.496 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417941060 438094094 /nfs/dbraw/zinc/09/40/94/438094094.db2.gz AGXHGRIFDMXOKH-OAHLLOKOSA-N 1 3 335.452 0.915 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1=CCN(C)CC1 ZINC000348759999 438095065 /nfs/dbraw/zinc/09/50/65/438095065.db2.gz DNKWSUMDURFYIH-CVEARBPZSA-N 1 3 348.491 0.697 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NCC(C)(C)[NH3+])c1 ZINC000417477183 438054370 /nfs/dbraw/zinc/05/43/70/438054370.db2.gz QZWNYZATJVBRKU-UHFFFAOYSA-N 1 3 335.452 0.515 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@H]1CNCCO1 ZINC000417511358 438056110 /nfs/dbraw/zinc/05/61/10/438056110.db2.gz YVFAADRNDQPGND-ZWKOTPCHSA-N 1 3 346.475 0.839 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@H]1CNCCO1 ZINC000417511358 438056116 /nfs/dbraw/zinc/05/61/16/438056116.db2.gz YVFAADRNDQPGND-ZWKOTPCHSA-N 1 3 346.475 0.839 20 0 ECADHO CCCN[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000417778467 438077485 /nfs/dbraw/zinc/07/74/85/438077485.db2.gz FWNXZKYSQJNPMB-LLVKDONJSA-N 1 3 328.438 0.250 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C2(C[NH3+])CCCC2)cn1 ZINC000430783868 438121101 /nfs/dbraw/zinc/12/11/01/438121101.db2.gz OLWFDZXVHGOAFH-UHFFFAOYSA-N 1 3 336.440 0.019 20 0 ECADHO C[C@H]1CN(C(=O)NCCC[NH2+]C2CC2)CCN1C1CCN(C)CC1 ZINC000418299551 438127633 /nfs/dbraw/zinc/12/76/33/438127633.db2.gz LHOBILZVRLOOME-HNNXBMFYSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCC(CNC(=O)C[C@@H]2CNCCO2)([NH+]2CCCCC2)CC1 ZINC000431017788 438141430 /nfs/dbraw/zinc/14/14/30/438141430.db2.gz SAYVLCWBCZBLFE-MRXNPFEDSA-N 1 3 338.496 0.431 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418442102 438144043 /nfs/dbraw/zinc/14/40/43/438144043.db2.gz MLCLNBDPBGWJHB-OAHLLOKOSA-N 1 3 339.484 0.309 20 0 ECADHO CN(CCN1CCN(C(=O)NCC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000418479350 438148804 /nfs/dbraw/zinc/14/88/04/438148804.db2.gz AGFJLJAJTZUSDJ-UHFFFAOYSA-N 1 3 345.491 0.665 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418673232 438174418 /nfs/dbraw/zinc/17/44/18/438174418.db2.gz OONREKSKUPNJTJ-IECFSIQFSA-N 1 3 344.459 0.386 20 0 ECADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418678551 438174771 /nfs/dbraw/zinc/17/47/71/438174771.db2.gz VYAWWWOODAZJIC-LSDHHAIUSA-N 1 3 339.484 0.452 20 0 ECADHO C[C@H](O)COC(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373897817 438175503 /nfs/dbraw/zinc/17/55/03/438175503.db2.gz CXUSOPRAVIFIIY-PMPSAXMXSA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H](O)COC(=O)CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000373897817 438175505 /nfs/dbraw/zinc/17/55/05/438175505.db2.gz CXUSOPRAVIFIIY-PMPSAXMXSA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H](O)COC(=O)CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000373897817 438175508 /nfs/dbraw/zinc/17/55/08/438175508.db2.gz CXUSOPRAVIFIIY-PMPSAXMXSA-N 1 3 327.469 0.258 20 0 ECADHO CC[C@@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418728700 438178196 /nfs/dbraw/zinc/17/81/96/438178196.db2.gz NKAAACZSMQVBFV-CVEARBPZSA-N 1 3 349.479 0.312 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418751621 438183183 /nfs/dbraw/zinc/18/31/83/438183183.db2.gz RLNJKWRFXPGHMO-JKSUJKDBSA-N 1 3 326.485 0.911 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000358101459 438151245 /nfs/dbraw/zinc/15/12/45/438151245.db2.gz RLQUONXMQXEWIR-CABCVRRESA-N 1 3 335.514 0.652 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358106066 438153128 /nfs/dbraw/zinc/15/31/28/438153128.db2.gz FDSMIMHOOZGFGQ-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO COCC[NH2+]CCNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418504193 438153667 /nfs/dbraw/zinc/15/36/67/438153667.db2.gz AFAKIEXLMPWVPI-HNNXBMFYSA-N 1 3 341.500 0.032 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000358117078 438158073 /nfs/dbraw/zinc/15/80/73/438158073.db2.gz ACDWPFJTZDEVQA-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418583306 438162125 /nfs/dbraw/zinc/16/21/25/438162125.db2.gz AWIQDTBHUAVUKL-HHXXYDBFSA-N 1 3 346.475 0.921 20 0 ECADHO CN(C)[C@@]1(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCCSC1 ZINC000367151876 438172199 /nfs/dbraw/zinc/17/21/99/438172199.db2.gz CIAKGUWHRSKNSX-KRWDZBQOSA-N 1 3 342.553 0.956 20 0 ECADHO CN(C)[C@@]1(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCCSC1 ZINC000367151876 438172203 /nfs/dbraw/zinc/17/22/03/438172203.db2.gz CIAKGUWHRSKNSX-KRWDZBQOSA-N 1 3 342.553 0.956 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000418674020 438174088 /nfs/dbraw/zinc/17/40/88/438174088.db2.gz OWWOAIHZGSIRTI-IXDOHACOSA-N 1 3 338.496 0.767 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000418842804 438211571 /nfs/dbraw/zinc/21/15/71/438211571.db2.gz BVHGYUWIDQTMSR-IAGOWNOFSA-N 1 3 346.475 0.343 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000418848196 438215318 /nfs/dbraw/zinc/21/53/18/438215318.db2.gz LBNHWFJOKKJYKV-HOTGVXAUSA-N 1 3 332.448 0.129 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)Cc1ccccc1 ZINC000418850440 438216852 /nfs/dbraw/zinc/21/68/52/438216852.db2.gz NWZINSGNBPCFID-KRWDZBQOSA-N 1 3 344.459 0.311 20 0 ECADHO C[C@H](CNC(=O)C1CCC(C(=O)NC[C@@H](C)[NH+](C)C)CC1)N(C)C ZINC000350559516 438219932 /nfs/dbraw/zinc/21/99/32/438219932.db2.gz DSZJFBFVRMDRNP-WXLSXGNJSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862163 438223274 /nfs/dbraw/zinc/22/32/74/438223274.db2.gz AIBSHOGZUZYHBV-DUVNUKRYSA-N 1 3 336.480 0.609 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862163 438223275 /nfs/dbraw/zinc/22/32/75/438223275.db2.gz AIBSHOGZUZYHBV-DUVNUKRYSA-N 1 3 336.480 0.609 20 0 ECADHO COC(=O)CNC(=O)CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374786017 438228107 /nfs/dbraw/zinc/22/81/07/438228107.db2.gz XOZZWRKNQUBYJQ-UHFFFAOYSA-N 1 3 348.447 0.909 20 0 ECADHO COC(=O)CNC(=O)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374786017 438228112 /nfs/dbraw/zinc/22/81/12/438228112.db2.gz XOZZWRKNQUBYJQ-UHFFFAOYSA-N 1 3 348.447 0.909 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000350970839 438243973 /nfs/dbraw/zinc/24/39/73/438243973.db2.gz CZPCESBYGBGPCI-KFWWJZLASA-N 1 3 326.485 0.774 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418830220 438204418 /nfs/dbraw/zinc/20/44/18/438204418.db2.gz FOPAJZVPTJCMOH-SJORKVTESA-N 1 3 346.475 0.391 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)CCCC1 ZINC000418829240 438204705 /nfs/dbraw/zinc/20/47/05/438204705.db2.gz GOSRILVJCMDTKR-HNNXBMFYSA-N 1 3 332.448 0.793 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000418937711 438256013 /nfs/dbraw/zinc/25/60/13/438256013.db2.gz OYVKPFQKSMSPSE-HOCLYGCPSA-N 1 3 338.496 0.810 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000418937710 438256567 /nfs/dbraw/zinc/25/65/67/438256567.db2.gz OYVKPFQKSMSPSE-GOEBONIOSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418944455 438259388 /nfs/dbraw/zinc/25/93/88/438259388.db2.gz JUSJPBWMOBSBRU-WBVHZDCISA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418944454 438260637 /nfs/dbraw/zinc/26/06/37/438260637.db2.gz JUSJPBWMOBSBRU-RDJZCZTQSA-N 1 3 346.475 0.881 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351445659 438262987 /nfs/dbraw/zinc/26/29/87/438262987.db2.gz RHNIAIPJKUGCCY-SQWLQELKSA-N 1 3 327.469 0.305 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351445659 438262989 /nfs/dbraw/zinc/26/29/89/438262989.db2.gz RHNIAIPJKUGCCY-SQWLQELKSA-N 1 3 327.469 0.305 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N(C)Cc1ccccc1 ZINC000418963277 438267128 /nfs/dbraw/zinc/26/71/28/438267128.db2.gz LVQHQLIJQWILBD-AWEZNQCLSA-N 1 3 332.448 0.621 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000418991107 438276154 /nfs/dbraw/zinc/27/61/54/438276154.db2.gz DNSCJLNJNFTCKN-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000418997151 438276597 /nfs/dbraw/zinc/27/65/97/438276597.db2.gz OIGXTRCLTMVNRY-AWEZNQCLSA-N 1 3 346.475 0.950 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000418997153 438277719 /nfs/dbraw/zinc/27/77/19/438277719.db2.gz OIGXTRCLTMVNRY-CQSZACIVSA-N 1 3 346.475 0.950 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000351544813 438284514 /nfs/dbraw/zinc/28/45/14/438284514.db2.gz VWHJYIFDMMLQBO-IRXDYDNUSA-N 1 3 344.459 0.808 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419027992 438296583 /nfs/dbraw/zinc/29/65/83/438296583.db2.gz PNHWDPMQBVXXKM-GJZGRUSLSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000351557864 438289223 /nfs/dbraw/zinc/28/92/23/438289223.db2.gz LFMVTIIDNKJXNX-OAHLLOKOSA-N 1 3 334.420 0.434 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000419020847 438290512 /nfs/dbraw/zinc/29/05/12/438290512.db2.gz GEYNVLFPTIAOPA-ZVDSWSACSA-N 1 3 338.496 0.665 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419022677 438291276 /nfs/dbraw/zinc/29/12/76/438291276.db2.gz IKPYICZKTKBLBK-ZNMIVQPWSA-N 1 3 340.512 0.912 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419129681 438337287 /nfs/dbraw/zinc/33/72/87/438337287.db2.gz BKFZLNAXYXSZGX-XHSDSOJGSA-N 1 3 338.496 0.999 20 0 ECADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1CN)C(C)(C)C ZINC000419141372 438345300 /nfs/dbraw/zinc/34/53/00/438345300.db2.gz XBKIUJFBVZGORI-ZIAGYGMSSA-N 1 3 326.485 0.809 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419076972 438313146 /nfs/dbraw/zinc/31/31/46/438313146.db2.gz IJTGQBCBPIKICD-JKSUJKDBSA-N 1 3 338.496 0.955 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419080873 438313735 /nfs/dbraw/zinc/31/37/35/438313735.db2.gz QKDOYUQXJMFQEP-MAUKXSAKSA-N 1 3 338.496 0.873 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419078800 438313977 /nfs/dbraw/zinc/31/39/77/438313977.db2.gz LQIRHTHTNVAJIQ-OWCLPIDISA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420159048 438389818 /nfs/dbraw/zinc/38/98/18/438389818.db2.gz HPKVPQYUJYUPOB-ILXRZTDVSA-N 1 3 338.496 0.679 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000419168682 438348923 /nfs/dbraw/zinc/34/89/23/438348923.db2.gz QNBVCDOLXWCMEG-KRWDZBQOSA-N 1 3 348.491 0.937 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000419375632 438355234 /nfs/dbraw/zinc/35/52/34/438355234.db2.gz RSNUFFCZBOZQLH-HZPDHXFCSA-N 1 3 340.512 0.831 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1CCC(C)CC1 ZINC000419376858 438355308 /nfs/dbraw/zinc/35/53/08/438355308.db2.gz UCOOOBKPMSPCBF-HNNXBMFYSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419433571 438357120 /nfs/dbraw/zinc/35/71/20/438357120.db2.gz ZODCMELTKXJRLZ-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO CC(C)(O)CN1CCCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000368702265 438370607 /nfs/dbraw/zinc/37/06/07/438370607.db2.gz SSCFOCQFZAOQFV-OAHLLOKOSA-N 1 3 338.496 0.959 20 0 ECADHO CC(C)(O)CN1CCCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000368702265 438370610 /nfs/dbraw/zinc/37/06/10/438370610.db2.gz SSCFOCQFZAOQFV-OAHLLOKOSA-N 1 3 338.496 0.959 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420073047 438385635 /nfs/dbraw/zinc/38/56/35/438385635.db2.gz XWPMAMLUIITFGO-HRCADAONSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390722253 438434966 /nfs/dbraw/zinc/43/49/66/438434966.db2.gz GAKZQCYIDXDRBV-OAHLLOKOSA-N 1 3 332.448 0.445 20 0 ECADHO C[C@H](O)COC(=O)CCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369185493 438434978 /nfs/dbraw/zinc/43/49/78/438434978.db2.gz VRAIMIYIAFKDPC-GJZGRUSLSA-N 1 3 327.469 0.401 20 0 ECADHO CC1(OCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C[NH2+]C1 ZINC000390988889 438436222 /nfs/dbraw/zinc/43/62/22/438436222.db2.gz HQOXAZDBPORVLV-QGZVFWFLSA-N 1 3 347.459 0.772 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420430997 438407147 /nfs/dbraw/zinc/40/71/47/438407147.db2.gz NSKJWBXKKLQBOS-SMDDNHRTSA-N 1 3 343.497 0.338 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420451989 438408548 /nfs/dbraw/zinc/40/85/48/438408548.db2.gz RVPRYONPSYLIQU-CQSZACIVSA-N 1 3 343.497 0.482 20 0 ECADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369375080 438462836 /nfs/dbraw/zinc/46/28/36/438462836.db2.gz VSSSDYPLRNZIQZ-OAHLLOKOSA-N 1 3 341.500 0.032 20 0 ECADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369375080 438462840 /nfs/dbraw/zinc/46/28/40/438462840.db2.gz VSSSDYPLRNZIQZ-OAHLLOKOSA-N 1 3 341.500 0.032 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000369364917 438461187 /nfs/dbraw/zinc/46/11/87/438461187.db2.gz WCXHOOAETRLVOQ-OAHLLOKOSA-N 1 3 335.496 0.645 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000369364917 438461190 /nfs/dbraw/zinc/46/11/90/438461190.db2.gz WCXHOOAETRLVOQ-OAHLLOKOSA-N 1 3 335.496 0.645 20 0 ECADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000369364917 438461193 /nfs/dbraw/zinc/46/11/93/438461193.db2.gz WCXHOOAETRLVOQ-OAHLLOKOSA-N 1 3 335.496 0.645 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000422113635 438520107 /nfs/dbraw/zinc/52/01/07/438520107.db2.gz HXVKIZRDEYYOOZ-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CNS(=O)(=O)CCCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408184087 438531595 /nfs/dbraw/zinc/53/15/95/438531595.db2.gz VZYCXFOEJZNJPV-AWEZNQCLSA-N 1 3 332.514 0.026 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000422971355 438622348 /nfs/dbraw/zinc/62/23/48/438622348.db2.gz ILHHCKLMUQTUGT-INIZCTEOSA-N 1 3 330.432 0.459 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423059417 438634989 /nfs/dbraw/zinc/63/49/89/438634989.db2.gz FQHMZCLCPOIZOS-GJZGRUSLSA-N 1 3 326.485 0.476 20 0 ECADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423149391 438642620 /nfs/dbraw/zinc/64/26/20/438642620.db2.gz HPEZVVJHBAAITH-HZPDHXFCSA-N 1 3 336.480 0.661 20 0 ECADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCN2CC[NH2+]CC2)cc1 ZINC000423200858 438648448 /nfs/dbraw/zinc/64/84/48/438648448.db2.gz GSLCRGZAMDGDCE-OAHLLOKOSA-N 1 3 325.478 0.652 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423250405 438653694 /nfs/dbraw/zinc/65/36/94/438653694.db2.gz UZHOFXDNZFAPPQ-RHSMWYFYSA-N 1 3 346.475 0.902 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423378029 438667929 /nfs/dbraw/zinc/66/79/29/438667929.db2.gz LYWKZDNCDFFGJD-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423388226 438671301 /nfs/dbraw/zinc/67/13/01/438671301.db2.gz NIBTUHHJJXXAKT-CVEARBPZSA-N 1 3 338.496 0.988 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423388226 438671303 /nfs/dbraw/zinc/67/13/03/438671303.db2.gz NIBTUHHJJXXAKT-CVEARBPZSA-N 1 3 338.496 0.988 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423415699 438673522 /nfs/dbraw/zinc/67/35/22/438673522.db2.gz PGCNSKPMZUGTCX-LSDHHAIUSA-N 1 3 326.485 0.763 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000423569329 438690292 /nfs/dbraw/zinc/69/02/92/438690292.db2.gz WIPVHRRSHMGLBC-PMPSAXMXSA-N 1 3 338.496 0.903 20 0 ECADHO C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414703680 438715140 /nfs/dbraw/zinc/71/51/40/438715140.db2.gz LSYNBKYNVNVDBI-AWEZNQCLSA-N 1 3 348.447 0.953 20 0 ECADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC(C)(C)CN1CCOCC1 ZINC000414708003 438716024 /nfs/dbraw/zinc/71/60/24/438716024.db2.gz OJKYVMZSSRUFSR-INIZCTEOSA-N 1 3 340.512 0.474 20 0 ECADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC(C)(C)CN1CCOCC1 ZINC000414708003 438716026 /nfs/dbraw/zinc/71/60/26/438716026.db2.gz OJKYVMZSSRUFSR-INIZCTEOSA-N 1 3 340.512 0.474 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000414775051 438718178 /nfs/dbraw/zinc/71/81/78/438718178.db2.gz BJENCHBXHYPWBV-NSHDSACASA-N 1 3 336.411 0.866 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000574785328 438719890 /nfs/dbraw/zinc/71/98/90/438719890.db2.gz KICHBMRCBJGVJI-OAGGEKHMSA-N 1 3 325.501 0.557 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000574928500 438729693 /nfs/dbraw/zinc/72/96/93/438729693.db2.gz YRIHQRCFIFBOSC-UHFFFAOYSA-N 1 3 336.436 0.050 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC000455259270 438741568 /nfs/dbraw/zinc/74/15/68/438741568.db2.gz AIBRQVZQQDFOFQ-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC000455259270 438741570 /nfs/dbraw/zinc/74/15/70/438741570.db2.gz AIBRQVZQQDFOFQ-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO Cc1ccc([C@H](CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])N(C)C)cc1 ZINC000575733157 438752669 /nfs/dbraw/zinc/75/26/69/438752669.db2.gz GNVGCDSROBKPES-IRXDYDNUSA-N 1 3 333.480 0.882 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000557211196 438796609 /nfs/dbraw/zinc/79/66/09/438796609.db2.gz KCTIQKJWFAEFHZ-UHFFFAOYSA-N 1 3 325.501 0.798 20 0 ECADHO CC[N@H+](CCC1CCN(C(=O)C(=O)NC2CNC2)CC1)CC1CC1 ZINC000576732993 438796654 /nfs/dbraw/zinc/79/66/54/438796654.db2.gz XSBJTQLTRAEOIU-UHFFFAOYSA-N 1 3 336.480 0.435 20 0 ECADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)NC2CNC2)CC1)CC1CC1 ZINC000576732993 438796656 /nfs/dbraw/zinc/79/66/56/438796656.db2.gz XSBJTQLTRAEOIU-UHFFFAOYSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000576838144 438801798 /nfs/dbraw/zinc/80/17/98/438801798.db2.gz HKKNQSCVTQLURO-KBPBESRZSA-N 1 3 337.468 0.203 20 0 ECADHO O[C@H](CNC[C@@H](O)C[NH+]1CCCC1)CN1CCc2ccccc2C1 ZINC000575868497 438758427 /nfs/dbraw/zinc/75/84/27/438758427.db2.gz AAJRTSFISXLHJJ-RTBURBONSA-N 1 3 333.476 0.452 20 0 ECADHO COc1ncccc1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000555246101 438774718 /nfs/dbraw/zinc/77/47/18/438774718.db2.gz LPIJGVBIOGQYCQ-UHFFFAOYSA-N 1 3 337.468 0.768 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000577530676 438850347 /nfs/dbraw/zinc/85/03/47/438850347.db2.gz PUXYPDFJABAOFW-ILXRZTDVSA-N 1 3 337.468 0.060 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000577530676 438850353 /nfs/dbraw/zinc/85/03/53/438850353.db2.gz PUXYPDFJABAOFW-ILXRZTDVSA-N 1 3 337.468 0.060 20 0 ECADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000458940104 438928794 /nfs/dbraw/zinc/92/87/94/438928794.db2.gz RFAJGVXNUBVNLH-RDJZCZTQSA-N 1 3 326.485 0.863 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000516985598 438943948 /nfs/dbraw/zinc/94/39/48/438943948.db2.gz OEWVJMZEBJKXHU-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)NCCN(C)C ZINC000578520725 438930871 /nfs/dbraw/zinc/93/08/71/438930871.db2.gz AXTZHZWXHGIOJJ-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000516882728 438935018 /nfs/dbraw/zinc/93/50/18/438935018.db2.gz WLTXQMQMMRBYKZ-AWEZNQCLSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@@H]1CCC[C@](CNC[C@H](O)CN2CCN(C)CC2)([NH+](C)C)C1 ZINC000565409051 438948433 /nfs/dbraw/zinc/94/84/33/438948433.db2.gz DZUDIPHEVOVFLL-SQNIBIBYSA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H]1CCC[C@](C[NH2+]C[C@H](O)CN2CCN(C)CC2)(N(C)C)C1 ZINC000565409051 438948438 /nfs/dbraw/zinc/94/84/38/438948438.db2.gz DZUDIPHEVOVFLL-SQNIBIBYSA-N 1 3 326.529 0.695 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)C2)nn1 ZINC000565529870 438957201 /nfs/dbraw/zinc/95/72/01/438957201.db2.gz ZNSRRFREBVLBPM-HZPDHXFCSA-N 1 3 349.483 0.991 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000578857583 438958822 /nfs/dbraw/zinc/95/88/22/438958822.db2.gz IWXOGRKKROIZKP-HUUCEWRRSA-N 1 3 338.496 0.763 20 0 ECADHO C[C@@H]1C[C@@H](NC[C@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@@H+]1C ZINC000518518627 439000604 /nfs/dbraw/zinc/00/06/04/439000604.db2.gz DIYNNFHTEBWLBT-RDBSUJKOSA-N 1 3 331.416 0.716 20 0 ECADHO C[C@@H]1C[C@@H](NC[C@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC000518518627 439000607 /nfs/dbraw/zinc/00/06/07/439000607.db2.gz DIYNNFHTEBWLBT-RDBSUJKOSA-N 1 3 331.416 0.716 20 0 ECADHO CN(CC[C@H]1CCCCN1C)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602484998 439098684 /nfs/dbraw/zinc/09/86/84/439098684.db2.gz LRWHYPWSQVCOHV-PEBXRYMYSA-N 1 3 329.510 0.820 20 0 ECADHO CN1CCC[C@@H]2CN(C(=O)C3([S@@](C)=O)CC[NH2+]CC3)CC[C@@H]21 ZINC000602515400 439102735 /nfs/dbraw/zinc/10/27/35/439102735.db2.gz XJQMLVNJWIVVHB-ALLJEULLSA-N 1 3 327.494 0.430 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(CC[NH3+])CC2)C1 ZINC000580561266 439105266 /nfs/dbraw/zinc/10/52/66/439105266.db2.gz RSBFVAWMTOHPCD-KRWDZBQOSA-N 1 3 340.512 0.520 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000566990788 439107252 /nfs/dbraw/zinc/10/72/52/439107252.db2.gz ZEYHWNINVNVOBJ-CQSZACIVSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000566990788 439107256 /nfs/dbraw/zinc/10/72/56/439107256.db2.gz ZEYHWNINVNVOBJ-CQSZACIVSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000580569591 439107817 /nfs/dbraw/zinc/10/78/17/439107817.db2.gz WMJKAINRQLPKPI-AWEZNQCLSA-N 1 3 326.466 0.012 20 0 ECADHO CCN(CC)[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)c1ccco1 ZINC000580182679 439069692 /nfs/dbraw/zinc/06/96/92/439069692.db2.gz AMUGLKKGFXRLFT-IRXDYDNUSA-N 1 3 338.496 0.860 20 0 ECADHO Cc1cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc(C)n1 ZINC000520216651 439074353 /nfs/dbraw/zinc/07/43/53/439074353.db2.gz FZIFSWSSOWUUPG-UHFFFAOYSA-N 1 3 349.479 0.266 20 0 ECADHO CO[C@@H]1CN(CCCCC[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488021127 439171418 /nfs/dbraw/zinc/17/14/18/439171418.db2.gz CRXZUZIBIGCWON-WNKDZCFJSA-N 1 3 330.469 0.848 20 0 ECADHO CO[C@@H]1CN(CCCCC[N@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488021127 439171422 /nfs/dbraw/zinc/17/14/22/439171422.db2.gz CRXZUZIBIGCWON-WNKDZCFJSA-N 1 3 330.469 0.848 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)CC1)N(C)C ZINC000479858831 439119814 /nfs/dbraw/zinc/11/98/14/439119814.db2.gz DSZJFBFVRMDRNP-KLHDSHLOSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)C[C@@H](O)C[NH3+] ZINC000567276507 439128793 /nfs/dbraw/zinc/12/87/93/439128793.db2.gz LFWDAFBEYXMZHF-QAPCUYQASA-N 1 3 348.491 0.407 20 0 ECADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000522002531 439136013 /nfs/dbraw/zinc/13/60/13/439136013.db2.gz ZGCRKGSAQMJPOB-CZUORRHYSA-N 1 3 332.452 0.759 20 0 ECADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487667426 439158526 /nfs/dbraw/zinc/15/85/26/439158526.db2.gz YVABMEJMNIUSEB-JKSUJKDBSA-N 1 3 342.484 0.242 20 0 ECADHO C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)CN1CCN(C)CC1 ZINC000581069578 439165856 /nfs/dbraw/zinc/16/58/56/439165856.db2.gz JOLBGXDISQPIJY-DOTOQJQBSA-N 1 3 348.495 0.421 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000592757653 439274601 /nfs/dbraw/zinc/27/46/01/439274601.db2.gz QEYDAEOCCDGUIO-HZPDHXFCSA-N 1 3 336.480 0.802 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000592757653 439274609 /nfs/dbraw/zinc/27/46/09/439274609.db2.gz QEYDAEOCCDGUIO-HZPDHXFCSA-N 1 3 336.480 0.802 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)C[C@H]3CSCC[NH2+]3)C2)CC1 ZINC000568758784 439275418 /nfs/dbraw/zinc/27/54/18/439275418.db2.gz RSNHVCKUDXVAHR-LSDHHAIUSA-N 1 3 326.510 0.320 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1 ZINC000568286796 439234564 /nfs/dbraw/zinc/23/45/64/439234564.db2.gz GTOXBFRNVALPPT-OWCLPIDISA-N 1 3 345.447 0.243 20 0 ECADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581776964 439253868 /nfs/dbraw/zinc/25/38/68/439253868.db2.gz IZNSZYNWPZGYBI-LSDHHAIUSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581776964 439253873 /nfs/dbraw/zinc/25/38/73/439253873.db2.gz IZNSZYNWPZGYBI-LSDHHAIUSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000568535163 439258351 /nfs/dbraw/zinc/25/83/51/439258351.db2.gz SZDKPXSUEUXIEL-JYJNAYRXSA-N 1 3 336.480 0.291 20 0 ECADHO O=c1onc(-c2ccccc2)n1C[C@H](O)CNCCC[NH+]1CCCC1 ZINC000582228571 439305293 /nfs/dbraw/zinc/30/52/93/439305293.db2.gz DJADNSKQNDPDPR-MRXNPFEDSA-N 1 3 346.431 0.940 20 0 ECADHO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]CCCN1CCCC1 ZINC000582228571 439305298 /nfs/dbraw/zinc/30/52/98/439305298.db2.gz DJADNSKQNDPDPR-MRXNPFEDSA-N 1 3 346.431 0.940 20 0 ECADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000582600384 439354905 /nfs/dbraw/zinc/35/49/05/439354905.db2.gz DQCQVHNENSKVLN-INIZCTEOSA-N 1 3 338.496 0.905 20 0 ECADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000582600384 439354909 /nfs/dbraw/zinc/35/49/09/439354909.db2.gz DQCQVHNENSKVLN-INIZCTEOSA-N 1 3 338.496 0.905 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCCN(C4CCCC4)CC3)C[C@H]12 ZINC000569713561 439356606 /nfs/dbraw/zinc/35/66/06/439356606.db2.gz UQXYIUAOPRKQNV-HYVNUMGLSA-N 1 3 348.491 0.659 20 0 ECADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000569941902 439378622 /nfs/dbraw/zinc/37/86/22/439378622.db2.gz OETVQCICJUOSFK-HIFRSBDPSA-N 1 3 328.420 0.802 20 0 ECADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000569941905 439378818 /nfs/dbraw/zinc/37/88/18/439378818.db2.gz OETVQCICJUOSFK-UKRRQHHQSA-N 1 3 328.420 0.802 20 0 ECADHO [NH3+]CC1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000582899200 439392798 /nfs/dbraw/zinc/39/27/98/439392798.db2.gz FKBJBAVNZXQRNZ-UHFFFAOYSA-N 1 3 336.480 0.661 20 0 ECADHO COC[C@@H](O)CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000583019882 439409867 /nfs/dbraw/zinc/40/98/67/439409867.db2.gz HYRCRNUOLJCTCN-IRXDYDNUSA-N 1 3 335.448 0.481 20 0 ECADHO COC[C@@H](O)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000583019882 439409869 /nfs/dbraw/zinc/40/98/69/439409869.db2.gz HYRCRNUOLJCTCN-IRXDYDNUSA-N 1 3 335.448 0.481 20 0 ECADHO Cc1nccn1C[C@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000570324335 439412222 /nfs/dbraw/zinc/41/22/22/439412222.db2.gz KPVPUXCTLITEOZ-OAHLLOKOSA-N 1 3 338.500 0.962 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000529355713 439412308 /nfs/dbraw/zinc/41/23/08/439412308.db2.gz MZDBRFIPHSKPEO-IKGGRYGDSA-N 1 3 349.523 0.938 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000583511761 439476194 /nfs/dbraw/zinc/47/61/94/439476194.db2.gz WVBRTKFJQAOUBH-UHFFFAOYSA-N 1 3 332.448 0.358 20 0 ECADHO COC(=O)CCN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)[C@@H](C)C1 ZINC000571203771 439484631 /nfs/dbraw/zinc/48/46/31/439484631.db2.gz GTECMSWIIOSNRL-QWHCGFSZSA-N 1 3 349.435 0.196 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000583629093 439490030 /nfs/dbraw/zinc/49/00/30/439490030.db2.gz NKRFTDGRUHUZHR-IIDMSEBBSA-N 1 3 341.496 0.728 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000593907192 439491911 /nfs/dbraw/zinc/49/19/11/439491911.db2.gz ONMMHCMILXNGOU-CQSZACIVSA-N 1 3 325.453 0.767 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000583888528 439524608 /nfs/dbraw/zinc/52/46/08/439524608.db2.gz QIOVJHGUXBXDSP-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CNCCC1(F)F ZINC000583983903 439535558 /nfs/dbraw/zinc/53/55/58/439535558.db2.gz YZBOVTGBCJJTTN-ZDUSSCGKSA-N 1 3 346.422 0.928 20 0 ECADHO CN(C)C/C=C/C(=O)Nc1cccnc1CNC(=O)/C=C/C[NH+](C)C ZINC000492500534 439540650 /nfs/dbraw/zinc/54/06/50/439540650.db2.gz INHSZALMWIOJGX-KZZDLZNXSA-N 1 3 345.447 0.872 20 0 ECADHO CN(C)C/C=C/C(=O)NCc1ncccc1NC(=O)/C=C/C[NH+](C)C ZINC000492500534 439540657 /nfs/dbraw/zinc/54/06/57/439540657.db2.gz INHSZALMWIOJGX-KZZDLZNXSA-N 1 3 345.447 0.872 20 0 ECADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584125307 439553343 /nfs/dbraw/zinc/55/33/43/439553343.db2.gz YLMADTUGSAEGTH-MELADBBJSA-N 1 3 325.457 0.060 20 0 ECADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584125307 439553347 /nfs/dbraw/zinc/55/33/47/439553347.db2.gz YLMADTUGSAEGTH-MELADBBJSA-N 1 3 325.457 0.060 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2)C1 ZINC000572510637 439588934 /nfs/dbraw/zinc/58/89/34/439588934.db2.gz DTERPTMYVSBOMT-MSOLQXFVSA-N 1 3 334.464 0.143 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000572706537 439604192 /nfs/dbraw/zinc/60/41/92/439604192.db2.gz RTHQQBJMPSZLJU-UHFFFAOYSA-N 1 3 326.485 0.824 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CC2(C[NH3+])CC2)c1 ZINC000573365487 439643364 /nfs/dbraw/zinc/64/33/64/439643364.db2.gz PAHPKQATPINNJT-UHFFFAOYSA-N 1 3 332.448 0.723 20 0 ECADHO COCCN1CCC(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000573679108 439660416 /nfs/dbraw/zinc/66/04/16/439660416.db2.gz CQDHEQBWEDMRJE-MRXNPFEDSA-N 1 3 335.452 0.648 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000584827210 439620820 /nfs/dbraw/zinc/62/08/20/439620820.db2.gz PCKRWZUZDNTCTP-AWEZNQCLSA-N 1 3 348.447 0.954 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CN1C1CC1 ZINC000611640307 439714868 /nfs/dbraw/zinc/71/48/68/439714868.db2.gz FEGXWFRDKGAAOG-HZSPNIEDSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CN1C1CC1 ZINC000611640307 439714870 /nfs/dbraw/zinc/71/48/70/439714870.db2.gz FEGXWFRDKGAAOG-HZSPNIEDSA-N 1 3 336.480 0.717 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000574149496 439686280 /nfs/dbraw/zinc/68/62/80/439686280.db2.gz ZLMYDOVYAXULAG-IXDOHACOSA-N 1 3 342.443 0.246 20 0 ECADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000613956743 439766830 /nfs/dbraw/zinc/76/68/30/439766830.db2.gz NODHKABACSRZFQ-FPCVCCKLSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000613956743 439766831 /nfs/dbraw/zinc/76/68/31/439766831.db2.gz NODHKABACSRZFQ-FPCVCCKLSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC000613956743 439766832 /nfs/dbraw/zinc/76/68/32/439766832.db2.gz NODHKABACSRZFQ-FPCVCCKLSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC000613956743 439766833 /nfs/dbraw/zinc/76/68/33/439766833.db2.gz NODHKABACSRZFQ-FPCVCCKLSA-N 1 3 338.496 0.679 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000612544424 439725510 /nfs/dbraw/zinc/72/55/10/439725510.db2.gz CQNUVSGYEITJSJ-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000611838360 439732100 /nfs/dbraw/zinc/73/21/00/439732100.db2.gz JTAFJZSUTQLSCX-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000611838360 439732102 /nfs/dbraw/zinc/73/21/02/439732102.db2.gz JTAFJZSUTQLSCX-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000611838360 439732105 /nfs/dbraw/zinc/73/21/05/439732105.db2.gz JTAFJZSUTQLSCX-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@]1(NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC[NH2+]C1 ZINC000612898688 439744912 /nfs/dbraw/zinc/74/49/12/439744912.db2.gz GQXSBSATCDELQW-FUHWJXTLSA-N 1 3 332.448 0.804 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H](C)N1C ZINC000652370823 439828448 /nfs/dbraw/zinc/82/84/48/439828448.db2.gz QMFKBMSCMSXIEI-XHSDSOJGSA-N 1 3 337.512 0.889 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H](C)N1C ZINC000652370823 439828454 /nfs/dbraw/zinc/82/84/54/439828454.db2.gz QMFKBMSCMSXIEI-XHSDSOJGSA-N 1 3 337.512 0.889 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)N1C ZINC000652370823 439828459 /nfs/dbraw/zinc/82/84/59/439828459.db2.gz QMFKBMSCMSXIEI-XHSDSOJGSA-N 1 3 337.512 0.889 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000652427378 439843514 /nfs/dbraw/zinc/84/35/14/439843514.db2.gz RTXNPWSFTVXRHT-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000652427378 439843519 /nfs/dbraw/zinc/84/35/19/439843519.db2.gz RTXNPWSFTVXRHT-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000662684524 439845084 /nfs/dbraw/zinc/84/50/84/439845084.db2.gz DMHHCGRIDYTVII-KBPBESRZSA-N 1 3 327.494 0.828 20 0 ECADHO CN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900726 439932305 /nfs/dbraw/zinc/93/23/05/439932305.db2.gz PAQMSVFDIFFAFT-SJORKVTESA-N 1 3 338.496 0.382 20 0 ECADHO CN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900726 439932312 /nfs/dbraw/zinc/93/23/12/439932312.db2.gz PAQMSVFDIFFAFT-SJORKVTESA-N 1 3 338.496 0.382 20 0 ECADHO CC(C)CN1C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000617504260 439898741 /nfs/dbraw/zinc/89/87/41/439898741.db2.gz NDJLDJWHCZAWHY-JKSUJKDBSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)CN1C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000617504260 439898743 /nfs/dbraw/zinc/89/87/43/439898743.db2.gz NDJLDJWHCZAWHY-JKSUJKDBSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Sc1nncn1C ZINC000617505206 439899868 /nfs/dbraw/zinc/89/98/68/439899868.db2.gz XUOOKQHUXKFNSK-STQMWFEESA-N 1 3 342.513 0.684 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Sc1nncn1C ZINC000617505206 439899873 /nfs/dbraw/zinc/89/98/73/439899873.db2.gz XUOOKQHUXKFNSK-STQMWFEESA-N 1 3 342.513 0.684 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000617502045 439901455 /nfs/dbraw/zinc/90/14/55/439901455.db2.gz ABVPEBQWADYHNP-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000617502045 439901461 /nfs/dbraw/zinc/90/14/61/439901461.db2.gz ABVPEBQWADYHNP-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CO[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cnn(C)c1 ZINC000617507445 439901961 /nfs/dbraw/zinc/90/19/61/439901961.db2.gz XBSVQAGKDKUQAN-DZGCQCFKSA-N 1 3 325.457 0.496 20 0 ECADHO CO[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cnn(C)c1 ZINC000617507445 439901966 /nfs/dbraw/zinc/90/19/66/439901966.db2.gz XBSVQAGKDKUQAN-DZGCQCFKSA-N 1 3 325.457 0.496 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662835717 439908172 /nfs/dbraw/zinc/90/81/72/439908172.db2.gz RPJJMICWKZYRIW-SQWLQELKSA-N 1 3 332.452 0.949 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662834667 439908384 /nfs/dbraw/zinc/90/83/84/439908384.db2.gz IMRBFFAPDIABMF-LZWOXQAQSA-N 1 3 332.452 0.777 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673336 439911710 /nfs/dbraw/zinc/91/17/10/439911710.db2.gz LWANWXARJACAIU-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662857737 439916466 /nfs/dbraw/zinc/91/64/66/439916466.db2.gz BJJHANNEJHQBQL-IAGOWNOFSA-N 1 3 332.448 0.774 20 0 ECADHO CC1(C)[C@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1N ZINC000641801836 439917848 /nfs/dbraw/zinc/91/78/48/439917848.db2.gz FPZVJZJNTCQEIH-LSDHHAIUSA-N 1 3 331.464 0.836 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000626971592 439975385 /nfs/dbraw/zinc/97/53/85/439975385.db2.gz MSQADKWQKVJFTA-UHFFFAOYSA-N 1 3 342.484 0.683 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000631918984 439978097 /nfs/dbraw/zinc/97/80/97/439978097.db2.gz PZBDEGVREFKRAZ-HNNXBMFYSA-N 1 3 330.498 0.475 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)C[NH2+]1 ZINC000626888918 439940122 /nfs/dbraw/zinc/94/01/22/439940122.db2.gz ZPUPUGSGRBDZMQ-UKRRQHHQSA-N 1 3 348.447 0.822 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662924940 439946072 /nfs/dbraw/zinc/94/60/72/439946072.db2.gz BJJQYYTWQZUJJT-UHFFFAOYSA-N 1 3 338.427 0.523 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642104440 439949623 /nfs/dbraw/zinc/94/96/23/439949623.db2.gz SSJBDEHFXXIHDJ-INIZCTEOSA-N 1 3 332.448 0.144 20 0 ECADHO CCCN(C(=O)C(=O)N(C)CCN1CCCCC1)C1CC[NH2+]CC1 ZINC000652732075 439951151 /nfs/dbraw/zinc/95/11/51/439951151.db2.gz BODOSBRIGZQBIL-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000642253892 439960941 /nfs/dbraw/zinc/96/09/41/439960941.db2.gz PBMOBXPQHGWPEX-DOTOQJQBSA-N 1 3 346.475 0.726 20 0 ECADHO CC(C)[NH2+]CCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013519 439989706 /nfs/dbraw/zinc/98/97/06/439989706.db2.gz CYUCYCJNLXFBDL-HNNXBMFYSA-N 1 3 348.495 0.913 20 0 ECADHO N[C@@H](C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CCC1 ZINC000663017993 439991901 /nfs/dbraw/zinc/99/19/01/439991901.db2.gz UDKGMZCBJTYRCK-WMLDXEAASA-N 1 3 346.479 0.653 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000642699729 440006723 /nfs/dbraw/zinc/00/67/23/440006723.db2.gz JCPRNSQWGYLFKF-DZKIICNBSA-N 1 3 332.448 0.477 20 0 ECADHO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000642733814 440020871 /nfs/dbraw/zinc/02/08/71/440020871.db2.gz KDKONMHGAIPDAJ-QGZVFWFLSA-N 1 3 344.459 0.808 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000642785884 440038909 /nfs/dbraw/zinc/03/89/09/440038909.db2.gz OUAVSXNOMRRLGT-IRXDYDNUSA-N 1 3 348.491 0.578 20 0 ECADHO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785755 440037104 /nfs/dbraw/zinc/03/71/04/440037104.db2.gz HSWUDAVQBWEPDX-QGZVFWFLSA-N 1 3 344.459 0.574 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000642960182 440069803 /nfs/dbraw/zinc/06/98/03/440069803.db2.gz LBPKOAHVJWXGAG-SJORKVTESA-N 1 3 344.459 0.573 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000636869468 440074867 /nfs/dbraw/zinc/07/48/67/440074867.db2.gz MSOUCTGPSAHISW-CPUCHLNUSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000636869468 440074872 /nfs/dbraw/zinc/07/48/72/440074872.db2.gz MSOUCTGPSAHISW-CPUCHLNUSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[NH2+]1 ZINC000627195907 440039666 /nfs/dbraw/zinc/03/96/66/440039666.db2.gz FXHQWWWREYMZGF-GJZGRUSLSA-N 1 3 337.468 0.077 20 0 ECADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642789421 440043288 /nfs/dbraw/zinc/04/32/88/440043288.db2.gz BPFSVEGRJFSALS-ARFHVFGLSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)N2CCC(CN3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627204658 440044290 /nfs/dbraw/zinc/04/42/90/440044290.db2.gz YKLUEIPPJURHNW-DOTOQJQBSA-N 1 3 337.512 0.796 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000642809796 440047654 /nfs/dbraw/zinc/04/76/54/440047654.db2.gz VLUVNHGQBKAVQW-CQSZACIVSA-N 1 3 326.485 0.727 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCOCCC[NH3+] ZINC000627218002 440047658 /nfs/dbraw/zinc/04/76/58/440047658.db2.gz YPXLDIPHXAKPAR-CQSZACIVSA-N 1 3 328.457 0.247 20 0 ECADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642905293 440055824 /nfs/dbraw/zinc/05/58/24/440055824.db2.gz JWFUVVUOZMCYDN-HNNXBMFYSA-N 1 3 336.480 0.722 20 0 ECADHO CCN(C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)[C@@H]1CCN(CC)C1 ZINC000658824206 440138176 /nfs/dbraw/zinc/13/81/76/440138176.db2.gz YSMCHVMFCMHRPH-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627311665 440112872 /nfs/dbraw/zinc/11/28/72/440112872.db2.gz DZHVHUDJWRPXNI-XFIYOXNOSA-N 1 3 338.496 0.726 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCCC3)C[C@@H]12 ZINC000643494599 440187679 /nfs/dbraw/zinc/18/76/79/440187679.db2.gz HWCNBMOKTQZJBK-QBPKDAKJSA-N 1 3 348.491 0.659 20 0 ECADHO O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000643510645 440192246 /nfs/dbraw/zinc/19/22/46/440192246.db2.gz GYKHRPVDQATKHV-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO COCCN(C)CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663937235 440197206 /nfs/dbraw/zinc/19/72/06/440197206.db2.gz FJQHFAAYNQBYDJ-HNNXBMFYSA-N 1 3 330.473 0.317 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1N(C)C ZINC000643520855 440198231 /nfs/dbraw/zinc/19/82/31/440198231.db2.gz ZSOIVXGRRMWLIT-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000643530075 440200539 /nfs/dbraw/zinc/20/05/39/440200539.db2.gz IJUNSUWTXDEGNB-XHSDSOJGSA-N 1 3 348.491 0.659 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000627442830 440208669 /nfs/dbraw/zinc/20/86/69/440208669.db2.gz SWTOHGIFJJCJOB-MRXNPFEDSA-N 1 3 348.491 0.864 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643592633 440216465 /nfs/dbraw/zinc/21/64/65/440216465.db2.gz QWOOKODQAUCARR-HOCLYGCPSA-N 1 3 332.448 0.525 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000643593734 440217702 /nfs/dbraw/zinc/21/77/02/440217702.db2.gz MBZBVLCUNWNSRG-VQHPVUNQSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C[NH2+]1 ZINC000627483505 440235334 /nfs/dbraw/zinc/23/53/34/440235334.db2.gz HEEGAOHSKSPDGO-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H](CN)C(F)(F)F)CCO1 ZINC000659024832 440207462 /nfs/dbraw/zinc/20/74/62/440207462.db2.gz KTCRJTCOUDCGBD-QWRGUYRKSA-N 1 3 326.363 0.628 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000643545281 440208234 /nfs/dbraw/zinc/20/82/34/440208234.db2.gz VTLWQZBFDILZLI-JONQDZQNSA-N 1 3 336.480 0.657 20 0 ECADHO CCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCN(C)C1 ZINC000664175921 440249200 /nfs/dbraw/zinc/24/92/00/440249200.db2.gz RWPKVFQEECTYBM-LSDHHAIUSA-N 1 3 339.484 0.309 20 0 ECADHO CCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCN(C)C1 ZINC000664175921 440249205 /nfs/dbraw/zinc/24/92/05/440249205.db2.gz RWPKVFQEECTYBM-LSDHHAIUSA-N 1 3 339.484 0.309 20 0 ECADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@H]3CNCCC3(F)F)CC2)C1 ZINC000648178000 440253444 /nfs/dbraw/zinc/25/34/44/440253444.db2.gz HLMDQNGFWWCCAK-MCIONIFRSA-N 1 3 331.407 0.976 20 0 ECADHO CC1(OCC(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CNC1 ZINC000648178095 440254868 /nfs/dbraw/zinc/25/48/68/440254868.db2.gz QEUABVBEADXCHZ-UHFFFAOYSA-N 1 3 346.475 0.475 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000659111253 440258255 /nfs/dbraw/zinc/25/82/55/440258255.db2.gz DUJSPTBXKWVPTA-CYBMUJFWSA-N 1 3 336.436 0.598 20 0 ECADHO COc1cnccc1N1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000637684170 440321539 /nfs/dbraw/zinc/32/15/39/440321539.db2.gz PDBMRTFFVTZPFZ-AWEZNQCLSA-N 1 3 333.436 0.921 20 0 ECADHO CN1CC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000654509786 440337553 /nfs/dbraw/zinc/33/75/53/440337553.db2.gz NFBOETGMIVMVNL-MLHJIOFPSA-N 1 3 344.459 0.892 20 0 ECADHO CN1CC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000654509786 440337556 /nfs/dbraw/zinc/33/75/56/440337556.db2.gz NFBOETGMIVMVNL-MLHJIOFPSA-N 1 3 344.459 0.892 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000659533171 440357115 /nfs/dbraw/zinc/35/71/15/440357115.db2.gz CPYQXGWNBRMPHR-UHFFFAOYSA-N 1 3 347.463 0.451 20 0 ECADHO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NC[C@@H]1CNCCO1 ZINC000659555187 440362191 /nfs/dbraw/zinc/36/21/91/440362191.db2.gz PADVCXCCSSCZJM-IRXDYDNUSA-N 1 3 348.447 0.041 20 0 ECADHO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)NC[C@@H]1CNCCO1 ZINC000659555187 440362197 /nfs/dbraw/zinc/36/21/97/440362197.db2.gz PADVCXCCSSCZJM-IRXDYDNUSA-N 1 3 348.447 0.041 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659451104 440328667 /nfs/dbraw/zinc/32/86/67/440328667.db2.gz AZIFAHANFXLIHY-UHFFFAOYSA-N 1 3 337.468 0.062 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]1(C)CCC(=O)N1 ZINC000665077813 440414841 /nfs/dbraw/zinc/41/48/41/440414841.db2.gz JGSPLQOIHGTYCU-BBRMVZONSA-N 1 3 327.473 0.226 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]1(C)CCC(=O)N1 ZINC000665077813 440414846 /nfs/dbraw/zinc/41/48/46/440414846.db2.gz JGSPLQOIHGTYCU-BBRMVZONSA-N 1 3 327.473 0.226 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000659681097 440417184 /nfs/dbraw/zinc/41/71/84/440417184.db2.gz PIRNOSOLUSRTBD-SOUVJXGZSA-N 1 3 326.485 0.713 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000659684571 440418406 /nfs/dbraw/zinc/41/84/06/440418406.db2.gz JDGRWWKCDXINHP-HNNXBMFYSA-N 1 3 336.480 0.435 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000638065373 440422396 /nfs/dbraw/zinc/42/23/96/440422396.db2.gz SWUKOQCRBQKUKE-JKSUJKDBSA-N 1 3 348.447 0.813 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000659688585 440423454 /nfs/dbraw/zinc/42/34/54/440423454.db2.gz BTRIUAATOQXPPO-HUUCEWRRSA-N 1 3 326.485 0.713 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000659690701 440425357 /nfs/dbraw/zinc/42/53/57/440425357.db2.gz SCCGGBZZPHQHAE-ZIAGYGMSSA-N 1 3 347.463 0.447 20 0 ECADHO C[C@H](CCN1CC[C@@H](C(=O)N(C)C)C1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000664780211 440374114 /nfs/dbraw/zinc/37/41/14/440374114.db2.gz NSSKYURXWRACRS-OAGGEKHMSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CCN1CC[C@@H](C(=O)N(C)C)C1)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000664780211 440374120 /nfs/dbraw/zinc/37/41/20/440374120.db2.gz NSSKYURXWRACRS-OAGGEKHMSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CC[N@@H+]1CC[C@@H](C(=O)N(C)C)C1)N1CC[C@H](C(=O)N(C)C)C1 ZINC000664780211 440374123 /nfs/dbraw/zinc/37/41/23/440374123.db2.gz NSSKYURXWRACRS-OAGGEKHMSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CC[N@H+]1CC[C@@H](C(=O)N(C)C)C1)N1CC[C@H](C(=O)N(C)C)C1 ZINC000664780211 440374128 /nfs/dbraw/zinc/37/41/28/440374128.db2.gz NSSKYURXWRACRS-OAGGEKHMSA-N 1 3 338.496 0.585 20 0 ECADHO CCN1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1=O ZINC000664845467 440380420 /nfs/dbraw/zinc/38/04/20/440380420.db2.gz HRTYYCYDKQQARU-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO CCN1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1=O ZINC000664845467 440380424 /nfs/dbraw/zinc/38/04/24/440380424.db2.gz HRTYYCYDKQQARU-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO CN1CCC(n2cc(NC(=O)NCCN3CC[NH2+]CC3)cn2)CC1 ZINC000632963225 440397364 /nfs/dbraw/zinc/39/73/64/440397364.db2.gz VVCOAUBIAAZSRQ-UHFFFAOYSA-N 1 3 335.456 0.177 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000628050425 440399154 /nfs/dbraw/zinc/39/91/54/440399154.db2.gz CZLSRVRICHACAX-YOEHRIQHSA-N 1 3 346.475 0.902 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000628050425 440399158 /nfs/dbraw/zinc/39/91/58/440399158.db2.gz CZLSRVRICHACAX-YOEHRIQHSA-N 1 3 346.475 0.902 20 0 ECADHO COc1ccc([C@@H](CNC(=O)CN2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000638048202 440407364 /nfs/dbraw/zinc/40/73/64/440407364.db2.gz BRRSFFOPPYMJKI-GOSISDBHSA-N 1 3 346.475 0.854 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000633027054 440411570 /nfs/dbraw/zinc/41/15/70/440411570.db2.gz ACLWLNCNSCHSLB-KBPBESRZSA-N 1 3 332.404 0.138 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649318512 440461528 /nfs/dbraw/zinc/46/15/28/440461528.db2.gz RCAZZGGBLSPLJR-STQMWFEESA-N 1 3 346.422 0.290 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000659741379 440478802 /nfs/dbraw/zinc/47/88/02/440478802.db2.gz KOSUEOQPDWVBGN-JKSUJKDBSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000659741378 440479184 /nfs/dbraw/zinc/47/91/84/440479184.db2.gz KOSUEOQPDWVBGN-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N(C)C1CC1 ZINC000638103026 440439375 /nfs/dbraw/zinc/43/93/75/440439375.db2.gz YMCRUQOJRJIWAQ-ONGXEEELSA-N 1 3 342.394 0.963 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000659707731 440441100 /nfs/dbraw/zinc/44/11/00/440441100.db2.gz KKSQDPKZICNODP-RHSMWYFYSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(O)CCCOC1 ZINC000665242571 440442431 /nfs/dbraw/zinc/44/24/31/440442431.db2.gz BLFMDSKDHBJXJG-RDJZCZTQSA-N 1 3 344.500 0.489 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(O)CCCOC1 ZINC000665242571 440442435 /nfs/dbraw/zinc/44/24/35/440442435.db2.gz BLFMDSKDHBJXJG-RDJZCZTQSA-N 1 3 344.500 0.489 20 0 ECADHO COC[C@]1(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCCN1 ZINC000638119026 440449234 /nfs/dbraw/zinc/44/92/34/440449234.db2.gz HAGUHMPLMORJHG-QAPCUYQASA-N 1 3 339.480 0.762 20 0 ECADHO CC[NH+]1CCN(CCNC(=O)[C@@H](N)Cc2cccc(OC)c2)CC1 ZINC000638136743 440456091 /nfs/dbraw/zinc/45/60/91/440456091.db2.gz AOLQIYMMDGEEOG-KRWDZBQOSA-N 1 3 334.464 0.319 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638328734 440516127 /nfs/dbraw/zinc/51/61/27/440516127.db2.gz KGCJOHWNVHWUJD-SJORKVTESA-N 1 3 341.496 0.962 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351355 440481543 /nfs/dbraw/zinc/48/15/43/440481543.db2.gz PKJCQKJVGGNNKG-KGLIPLIRSA-N 1 3 332.439 0.621 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000659745573 440482195 /nfs/dbraw/zinc/48/21/95/440482195.db2.gz ZSEBDNIGHMICJV-JKSUJKDBSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000638527500 440562330 /nfs/dbraw/zinc/56/23/30/440562330.db2.gz USKARMPJCDQVIT-CRAIPNDOSA-N 1 3 330.432 0.916 20 0 ECADHO COC[C@@]1(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCCCN1 ZINC000638432501 440536076 /nfs/dbraw/zinc/53/60/76/440536076.db2.gz KEIAMKNBHDYPID-NVXWUHKLSA-N 1 3 327.469 0.714 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000660270766 440627085 /nfs/dbraw/zinc/62/70/85/440627085.db2.gz QMZFKSMCZSZMCB-XHSDSOJGSA-N 1 3 336.480 0.671 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)ccc2[nH]c1=O ZINC000638919059 440649138 /nfs/dbraw/zinc/64/91/38/440649138.db2.gz WZDQTIVDHLPBQJ-STQMWFEESA-N 1 3 329.404 0.490 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2[nH]c1=O ZINC000638925835 440652353 /nfs/dbraw/zinc/65/23/53/440652353.db2.gz AXXIMSUIBHTZIQ-OKILXGFUSA-N 1 3 343.431 0.880 20 0 ECADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COC2CCOCC2)CCCO1 ZINC000644632250 440659359 /nfs/dbraw/zinc/65/93/59/440659359.db2.gz HMCVWSJHWMUTQK-JKSUJKDBSA-N 1 3 330.469 0.633 20 0 ECADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COC2CCOCC2)CCCO1 ZINC000644632250 440659366 /nfs/dbraw/zinc/65/93/66/440659366.db2.gz HMCVWSJHWMUTQK-JKSUJKDBSA-N 1 3 330.469 0.633 20 0 ECADHO [NH3+]C1CCC(OCC(=O)Nc2cc(N3CCNCC3)ccn2)CC1 ZINC000638984210 440659382 /nfs/dbraw/zinc/65/93/82/440659382.db2.gz KENGDLGWUIDJLJ-UHFFFAOYSA-N 1 3 333.436 0.716 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000650688334 440673188 /nfs/dbraw/zinc/67/31/88/440673188.db2.gz FFAMRRSFHARZTE-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1=O ZINC000650688334 440673192 /nfs/dbraw/zinc/67/31/92/440673192.db2.gz FFAMRRSFHARZTE-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)CCF)CC2)CC1 ZINC000650798681 440685436 /nfs/dbraw/zinc/68/54/36/440685436.db2.gz GIPZCXRBEGKRCA-AWEZNQCLSA-N 1 3 330.448 0.565 20 0 ECADHO CCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660585598 440686028 /nfs/dbraw/zinc/68/60/28/440686028.db2.gz RVPSNBBZDWLSSV-HUUCEWRRSA-N 1 3 339.484 0.357 20 0 ECADHO CCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660585598 440686034 /nfs/dbraw/zinc/68/60/34/440686034.db2.gz RVPSNBBZDWLSSV-HUUCEWRRSA-N 1 3 339.484 0.357 20 0 ECADHO NC[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)C(F)(F)F ZINC000655918198 440644363 /nfs/dbraw/zinc/64/43/63/440644363.db2.gz GZGDTDUOTNNUGU-MNOVXSKESA-N 1 3 326.363 0.412 20 0 ECADHO NC[C@H](NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO)C(F)(F)F ZINC000655918198 440644368 /nfs/dbraw/zinc/64/43/68/440644368.db2.gz GZGDTDUOTNNUGU-MNOVXSKESA-N 1 3 326.363 0.412 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000656017654 440691756 /nfs/dbraw/zinc/69/17/56/440691756.db2.gz BQROGQLYJBYMBO-CABCVRRESA-N 1 3 336.480 0.897 20 0 ECADHO C[C@](O)(C[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000634707297 440695148 /nfs/dbraw/zinc/69/51/48/440695148.db2.gz CUACEZLZTKGTHN-FJIDUMEYSA-N 1 3 326.481 0.866 20 0 ECADHO C[C@H]1C[N@H+](CCCNC[C@H](O)CC2(O)CCOCC2)CCCO1 ZINC000634712901 440695522 /nfs/dbraw/zinc/69/55/22/440695522.db2.gz NOYKXUYYIFLMFX-JKSUJKDBSA-N 1 3 330.469 0.369 20 0 ECADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)CC2(O)CCOCC2)CCCO1 ZINC000634712901 440695527 /nfs/dbraw/zinc/69/55/27/440695527.db2.gz NOYKXUYYIFLMFX-JKSUJKDBSA-N 1 3 330.469 0.369 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656027842 440697178 /nfs/dbraw/zinc/69/71/78/440697178.db2.gz GBAPPEIBVIRKRH-IMJJTQAJSA-N 1 3 336.480 0.705 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000656027058 440698390 /nfs/dbraw/zinc/69/83/90/440698390.db2.gz ARAHAYFIOLNFJZ-GJZGRUSLSA-N 1 3 334.464 0.474 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000656067531 440706274 /nfs/dbraw/zinc/70/62/74/440706274.db2.gz KRBNJQDJNKPCRI-GASCZTMLSA-N 1 3 338.496 0.776 20 0 ECADHO NC(=O)c1cn(C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)nn1 ZINC000629558956 440728230 /nfs/dbraw/zinc/72/82/30/440728230.db2.gz OEPHFQFAQPGFSZ-UHFFFAOYSA-N 1 3 340.431 0.860 20 0 ECADHO CN(C)C(=O)[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000660801442 440732807 /nfs/dbraw/zinc/73/28/07/440732807.db2.gz PWLVYRDQEFGAQJ-HNXFAEETSA-N 1 3 336.480 0.363 20 0 ECADHO CN(C)C(=O)[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000660801442 440732808 /nfs/dbraw/zinc/73/28/08/440732808.db2.gz PWLVYRDQEFGAQJ-HNXFAEETSA-N 1 3 336.480 0.363 20 0 ECADHO CN(C)C(=O)[C@@H]1CC[N@@H+](C/C=C\CN2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000660801442 440732811 /nfs/dbraw/zinc/73/28/11/440732811.db2.gz PWLVYRDQEFGAQJ-HNXFAEETSA-N 1 3 336.480 0.363 20 0 ECADHO CN(C)C(=O)[C@@H]1CC[N@H+](C/C=C\CN2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000660801442 440732814 /nfs/dbraw/zinc/73/28/14/440732814.db2.gz PWLVYRDQEFGAQJ-HNXFAEETSA-N 1 3 336.480 0.363 20 0 ECADHO CN(CCOCC[NH3+])CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000629578858 440739161 /nfs/dbraw/zinc/73/91/61/440739161.db2.gz WIBLRMLQXKEXPG-UHFFFAOYSA-N 1 3 335.452 0.027 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000639549945 440741799 /nfs/dbraw/zinc/74/17/99/440741799.db2.gz JMJOKZMYOXWXCG-MSOLQXFVSA-N 1 3 327.513 0.856 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000639549945 440741801 /nfs/dbraw/zinc/74/18/01/440741801.db2.gz JMJOKZMYOXWXCG-MSOLQXFVSA-N 1 3 327.513 0.856 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000629615452 440744215 /nfs/dbraw/zinc/74/42/15/440744215.db2.gz PGEGUTJKFRGTNK-RBSFLKMASA-N 1 3 337.468 0.073 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000629795079 440762708 /nfs/dbraw/zinc/76/27/08/440762708.db2.gz YRBBTDDPEFMFJS-HOTGVXAUSA-N 1 3 338.496 0.907 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000629795079 440762712 /nfs/dbraw/zinc/76/27/12/440762712.db2.gz YRBBTDDPEFMFJS-HOTGVXAUSA-N 1 3 338.496 0.907 20 0 ECADHO C[C@@H]1C(=O)N(C)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000645204999 440763863 /nfs/dbraw/zinc/76/38/63/440763863.db2.gz HFRIDJSPTFHHEC-CYBMUJFWSA-N 1 3 337.468 0.375 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645273397 440775571 /nfs/dbraw/zinc/77/55/71/440775571.db2.gz IHGHXXZIWPNCRG-NFAWXSAZSA-N 1 3 337.468 0.231 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645273397 440775576 /nfs/dbraw/zinc/77/55/76/440775576.db2.gz IHGHXXZIWPNCRG-NFAWXSAZSA-N 1 3 337.468 0.231 20 0 ECADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656355602 440786051 /nfs/dbraw/zinc/78/60/51/440786051.db2.gz LUXJIZAQUVPLKQ-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[NH+](C)C[C@]1(O)CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000639760371 440786111 /nfs/dbraw/zinc/78/61/11/440786111.db2.gz AABGYCMHDKHJBC-GOSISDBHSA-N 1 3 338.496 0.118 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635479603 440865184 /nfs/dbraw/zinc/86/51/84/440865184.db2.gz QAMIJLJEVQSTMK-CVEARBPZSA-N 1 3 325.453 0.467 20 0 ECADHO Cc1cccc(N2CCN(CCCCNC(=O)COCC[NH3+])CC2)c1 ZINC000645488472 440818881 /nfs/dbraw/zinc/81/88/81/440818881.db2.gz YPYNRUUVJVDVKH-UHFFFAOYSA-N 1 3 348.491 0.989 20 0 ECADHO CO[C@@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630375434 440893310 /nfs/dbraw/zinc/89/33/10/440893310.db2.gz OORPCKFXIOGTOT-BQFCYCMXSA-N 1 3 334.464 0.410 20 0 ECADHO C[C@@H](CNC(=O)C(C)(C)CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000635560861 440900132 /nfs/dbraw/zinc/90/01/32/440900132.db2.gz OJPKLBUNKXVURD-INIZCTEOSA-N 1 3 340.512 0.345 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635703639 440955274 /nfs/dbraw/zinc/95/52/74/440955274.db2.gz MQYMWRZFUNSJCF-SJORKVTESA-N 1 3 348.491 0.768 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635703639 440955281 /nfs/dbraw/zinc/95/52/81/440955281.db2.gz MQYMWRZFUNSJCF-SJORKVTESA-N 1 3 348.491 0.768 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000635711281 440957942 /nfs/dbraw/zinc/95/79/42/440957942.db2.gz JCELWWXSCQYGCT-DLBZAZTESA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000635711281 440957948 /nfs/dbraw/zinc/95/79/48/440957948.db2.gz JCELWWXSCQYGCT-DLBZAZTESA-N 1 3 341.496 0.914 20 0 ECADHO CN(CCNC(=O)[C@@H]1CC[C@H]1C(=O)NCC[N@H+](C)C1CC1)C1CC1 ZINC000630823160 440965110 /nfs/dbraw/zinc/96/51/10/440965110.db2.gz GJYHIMGLKITSJX-HZPDHXFCSA-N 1 3 336.480 0.433 20 0 ECADHO CN(CCNC(=O)[C@@H]1CC[C@H]1C(=O)NCC[N@@H+](C)C1CC1)C1CC1 ZINC000630823160 440965119 /nfs/dbraw/zinc/96/51/19/440965119.db2.gz GJYHIMGLKITSJX-HZPDHXFCSA-N 1 3 336.480 0.433 20 0 ECADHO O=C([C@@H]1CN2CCN1CCC2)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640445964 440928733 /nfs/dbraw/zinc/92/87/33/440928733.db2.gz OHWZSWFLHLEZBP-KRWDZBQOSA-N 1 3 329.448 0.510 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635642982 440930658 /nfs/dbraw/zinc/93/06/58/440930658.db2.gz CIRUBABAKXYNKR-UAGQMJEPSA-N 1 3 339.480 0.401 20 0 ECADHO CCN1CCC(NC(=O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000662157900 440979212 /nfs/dbraw/zinc/97/92/12/440979212.db2.gz SZCGDDKYNGQGEU-QGZVFWFLSA-N 1 3 338.496 0.118 20 0 ECADHO CCN1CCC(NC(=O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000662157900 440979218 /nfs/dbraw/zinc/97/92/18/440979218.db2.gz SZCGDDKYNGQGEU-QGZVFWFLSA-N 1 3 338.496 0.118 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296006 441007317 /nfs/dbraw/zinc/00/73/17/441007317.db2.gz JVDUWVIOVBZOLD-INIZCTEOSA-N 1 3 347.525 0.654 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652158596 441020441 /nfs/dbraw/zinc/02/04/41/441020441.db2.gz GEWXRVAYQVRZBL-OAHLLOKOSA-N 1 3 325.501 0.688 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652182024 441026406 /nfs/dbraw/zinc/02/64/06/441026406.db2.gz XWORVWKFNWKORF-XHSDSOJGSA-N 1 3 342.484 0.493 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cn1 ZINC000631271480 441036241 /nfs/dbraw/zinc/03/62/41/441036241.db2.gz PSAAVKDOJJAKOP-UHFFFAOYSA-N 1 3 337.468 0.628 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000635970014 441055773 /nfs/dbraw/zinc/05/57/73/441055773.db2.gz FLSQEEJYVFLVSI-KRWDZBQOSA-N 1 3 327.469 0.526 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000635970014 441055776 /nfs/dbraw/zinc/05/57/76/441055776.db2.gz FLSQEEJYVFLVSI-KRWDZBQOSA-N 1 3 327.469 0.526 20 0 ECADHO CN(C)S(=O)(=O)CCCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348675 441056602 /nfs/dbraw/zinc/05/66/02/441056602.db2.gz MVHHPQOJTMHMRA-SOUVJXGZSA-N 1 3 333.498 0.486 20 0 ECADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348931 441058102 /nfs/dbraw/zinc/05/81/02/441058102.db2.gz WGENNEFVXHASIK-GVDBMIGSSA-N 1 3 349.479 0.597 20 0 ECADHO CN(C)S(=O)(=O)CCCN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652362578 441059568 /nfs/dbraw/zinc/05/95/68/441059568.db2.gz KBQIUTMLJWOOLQ-ZNMIVQPWSA-N 1 3 333.498 0.629 20 0 ECADHO Cc1c(C(=O)N(C)[C@H](C)C2CCN(C)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662527812 441062618 /nfs/dbraw/zinc/06/26/18/441062618.db2.gz ZSCBJHKQTDPDAN-DOMZBBRYSA-N 1 3 334.468 0.923 20 0 ECADHO COCCN(C)C[C@H](O)Cn1cc(C[C@@H]([NH3+])c2ccccc2)nn1 ZINC000641223597 441079505 /nfs/dbraw/zinc/07/95/05/441079505.db2.gz PEEWPRWFAQXJRT-DLBZAZTESA-N 1 3 333.436 0.460 20 0 ECADHO C[C@H]([NH3+])CNC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000641477987 441128542 /nfs/dbraw/zinc/12/85/42/441128542.db2.gz UWKBPAHNTMCMFP-WMZOPIPTSA-N 1 3 345.491 0.935 20 0 ECADHO C[C@H](CNC(=O)NCCNc1cc[nH+]cc1)CN1CCN(C)CC1 ZINC000341237142 321051852 /nfs/dbraw/zinc/05/18/52/321051852.db2.gz CJGWNJFVLXNXHJ-OAHLLOKOSA-N 1 3 334.468 0.098 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000342035643 321073325 /nfs/dbraw/zinc/07/33/25/321073325.db2.gz KMHWDTLVJVQWEK-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000342035643 321073326 /nfs/dbraw/zinc/07/33/26/321073326.db2.gz KMHWDTLVJVQWEK-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000342043653 321073390 /nfs/dbraw/zinc/07/33/90/321073390.db2.gz RXDWRPJAGANNEP-ARFHVFGLSA-N 1 3 338.496 0.966 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342053002 321074169 /nfs/dbraw/zinc/07/41/69/321074169.db2.gz HDUZXQHCLITLJG-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342053002 321074170 /nfs/dbraw/zinc/07/41/70/321074170.db2.gz HDUZXQHCLITLJG-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C1=CCN(C)CC1 ZINC000348765150 321286705 /nfs/dbraw/zinc/28/67/05/321286705.db2.gz QVVMZXDIPCASGB-CQSZACIVSA-N 1 3 348.491 0.744 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1Cc2ccccc2C1=O ZINC000531119126 322035535 /nfs/dbraw/zinc/03/55/35/322035535.db2.gz IJFIFDUIIMYUOD-UHFFFAOYSA-N 1 3 332.448 0.594 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cncc(N2CCOCC2)c1 ZINC000535302597 322079049 /nfs/dbraw/zinc/07/90/49/322079049.db2.gz GWUIJJGFZCDSNV-UHFFFAOYSA-N 1 3 349.479 0.484 20 0 ECADHO CN1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[C@H]1c1ccccc1 ZINC000545883224 322110641 /nfs/dbraw/zinc/11/06/41/322110641.db2.gz BDFDZFUCIIBFQO-NUJGCVRESA-N 1 3 332.448 0.798 20 0 ECADHO CN1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000545883224 322110643 /nfs/dbraw/zinc/11/06/43/322110643.db2.gz BDFDZFUCIIBFQO-NUJGCVRESA-N 1 3 332.448 0.798 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000556360160 322190333 /nfs/dbraw/zinc/19/03/33/322190333.db2.gz JXGKJMMEXJUGQD-XHSDSOJGSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000556360160 322190336 /nfs/dbraw/zinc/19/03/36/322190336.db2.gz JXGKJMMEXJUGQD-XHSDSOJGSA-N 1 3 334.464 0.426 20 0 ECADHO CN1CCN(c2ncc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)cn2)CC1 ZINC000556952375 322200503 /nfs/dbraw/zinc/20/05/03/322200503.db2.gz OWVXIRPNBDUPJV-DLBZAZTESA-N 1 3 330.480 0.706 20 0 ECADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000560612564 322247701 /nfs/dbraw/zinc/24/77/01/322247701.db2.gz WQKGCSMNXRVCTP-MRXNPFEDSA-N 1 3 344.525 0.864 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000561198672 322256032 /nfs/dbraw/zinc/25/60/32/322256032.db2.gz GGJKGYARHBFTMP-BPQIPLTHSA-N 1 3 345.491 0.934 20 0 ECADHO CN(CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000562803172 322284931 /nfs/dbraw/zinc/28/49/31/322284931.db2.gz LKTCWVVYQSYVEU-GOSISDBHSA-N 1 3 345.491 0.808 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCS1 ZINC000563147607 322301204 /nfs/dbraw/zinc/30/12/04/322301204.db2.gz OYPFFENARKTCSG-CQSZACIVSA-N 1 3 344.525 0.292 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000563620984 322334298 /nfs/dbraw/zinc/33/42/98/322334298.db2.gz SWPDTRBHZQRMPZ-CABCVRRESA-N 1 3 326.485 0.727 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000563692464 322338883 /nfs/dbraw/zinc/33/88/83/322338883.db2.gz RFQLWMKJCQWHEP-IRXDYDNUSA-N 1 3 333.480 0.444 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000565474614 322458465 /nfs/dbraw/zinc/45/84/65/322458465.db2.gz AQIXXYCBQRJGGO-JKSUJKDBSA-N 1 3 332.448 0.350 20 0 ECADHO C[NH+](C)CCc1ccccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566504564 322540013 /nfs/dbraw/zinc/54/00/13/322540013.db2.gz KOMLAJMXJLWORI-HUUCEWRRSA-N 1 3 345.447 0.566 20 0 ECADHO N[C@@H]1Cc2ccccc2N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000570334014 322684193 /nfs/dbraw/zinc/68/41/93/322684193.db2.gz NNIZLNICVDQXCM-CYBMUJFWSA-N 1 3 326.404 0.733 20 0 ECADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001078012068 782134163 /nfs/dbraw/zinc/13/41/63/782134163.db2.gz TZTGVSDWXREVKX-OAGGEKHMSA-N 1 3 337.464 0.059 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)o2)C1 ZINC000268828625 545954050 /nfs/dbraw/zinc/95/40/50/545954050.db2.gz NSBRKGOCAVMWBA-KBPBESRZSA-N 1 3 348.447 0.832 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000342991983 546091483 /nfs/dbraw/zinc/09/14/83/546091483.db2.gz RPFPFUUDYMVQIM-RRFJBIMHSA-N 1 3 326.485 0.774 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000415542270 546206115 /nfs/dbraw/zinc/20/61/15/546206115.db2.gz AETJHPTVFBQDKY-UHFFFAOYSA-N 1 3 336.436 0.552 20 0 ECADHO CO[C@H]1C[C@@H](CN(C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)[N@H+](C)C1 ZINC000497514636 546256008 /nfs/dbraw/zinc/25/60/08/546256008.db2.gz FTOCNWUQYJDNMB-NNXHMXCWSA-N 1 3 329.485 0.107 20 0 ECADHO CO[C@H]1C[C@@H](CN(C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)[N@@H+](C)C1 ZINC000497514636 546256011 /nfs/dbraw/zinc/25/60/11/546256011.db2.gz FTOCNWUQYJDNMB-NNXHMXCWSA-N 1 3 329.485 0.107 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622026038 546608172 /nfs/dbraw/zinc/60/81/72/546608172.db2.gz CCDLSTIZJBWZLC-KSSFIOAISA-N 1 3 336.480 0.659 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028028 546609483 /nfs/dbraw/zinc/60/94/83/546609483.db2.gz KVGPDJJFOULRHR-YJBOKZPZSA-N 1 3 338.496 0.907 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)C2 ZINC000622027438 546609607 /nfs/dbraw/zinc/60/96/07/546609607.db2.gz CAGMOITXVPYKCK-MPGHIAIKSA-N 1 3 334.464 0.413 20 0 ECADHO COc1ccc([C@@H](CNc2nc(N)nc(N)n2)[NH+]2CCCCC2)cc1 ZINC000623797568 546844228 /nfs/dbraw/zinc/84/42/28/546844228.db2.gz ZKYJPPSSCOVPFF-CQSZACIVSA-N 1 3 343.435 0.766 20 0 ECADHO CCC1(N2CCOCC2)CC[NH+](C[C@@H](O)CN(C)CCOC)CC1 ZINC000626089234 547292080 /nfs/dbraw/zinc/29/20/80/547292080.db2.gz HNHCRLBPKAQBJB-KRWDZBQOSA-N 1 3 343.512 0.502 20 0 ECADHO C[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)[C@H]1c1ccccc1 ZINC000636984902 547392037 /nfs/dbraw/zinc/39/20/37/547392037.db2.gz MLPMXCRMBVVJRB-BRWVUGGUSA-N 1 3 332.448 0.798 20 0 ECADHO C[N@H+]1CC[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)[C@H]1c1ccccc1 ZINC000636984902 547392039 /nfs/dbraw/zinc/39/20/39/547392039.db2.gz MLPMXCRMBVVJRB-BRWVUGGUSA-N 1 3 332.448 0.798 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000659631231 547447566 /nfs/dbraw/zinc/44/75/66/547447566.db2.gz CJZLRMKRUJZAFC-AWEZNQCLSA-N 1 3 348.451 0.801 20 0 ECADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000666978835 547471518 /nfs/dbraw/zinc/47/15/18/547471518.db2.gz GMIPOERJUDJBJT-BHYGNILZSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000666978835 547471521 /nfs/dbraw/zinc/47/15/21/547471521.db2.gz GMIPOERJUDJBJT-BHYGNILZSA-N 1 3 336.480 0.975 20 0 ECADHO [NH3+]Cc1cccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000667729697 547550663 /nfs/dbraw/zinc/55/06/63/547550663.db2.gz RPTMXGVVDXGDMA-UHFFFAOYSA-N 1 3 345.447 0.917 20 0 ECADHO CN1CC=C(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000667822973 547561514 /nfs/dbraw/zinc/56/15/14/547561514.db2.gz TVORJSYNIIIGQZ-UHFFFAOYSA-N 1 3 331.424 0.270 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(Cn2ccnn2)c1 ZINC000668302539 547614805 /nfs/dbraw/zinc/61/48/05/547614805.db2.gz JONSQSVETQPAPS-UHFFFAOYSA-N 1 3 344.463 0.892 20 0 ECADHO CCN(C(=O)C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCN(CC)C1 ZINC000668362347 547634926 /nfs/dbraw/zinc/63/49/26/547634926.db2.gz XOMGTSXZMQXIDD-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCN(CC)C1 ZINC000668752730 547741627 /nfs/dbraw/zinc/74/16/27/547741627.db2.gz STYSNXIQKBJJLV-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000669204182 547851323 /nfs/dbraw/zinc/85/13/23/547851323.db2.gz VLJLZWQZOIPEOB-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)N4)C2)CC1 ZINC000669484287 547895825 /nfs/dbraw/zinc/89/58/25/547895825.db2.gz NWIUUEOMASCOFO-OWCLPIDISA-N 1 3 335.496 0.691 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)N4)C2)CC1 ZINC000669484287 547895828 /nfs/dbraw/zinc/89/58/28/547895828.db2.gz NWIUUEOMASCOFO-OWCLPIDISA-N 1 3 335.496 0.691 20 0 ECADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)N4)C2)CC1 ZINC000669484287 547895832 /nfs/dbraw/zinc/89/58/32/547895832.db2.gz NWIUUEOMASCOFO-OWCLPIDISA-N 1 3 335.496 0.691 20 0 ECADHO CN1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000669550963 547905129 /nfs/dbraw/zinc/90/51/29/547905129.db2.gz VYBWOHRZAZVXCX-QGZVFWFLSA-N 1 3 346.479 0.582 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670431091 548008458 /nfs/dbraw/zinc/00/84/58/548008458.db2.gz UFMYALMNHKZZCS-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670431091 548008461 /nfs/dbraw/zinc/00/84/61/548008461.db2.gz UFMYALMNHKZZCS-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670997181 548078547 /nfs/dbraw/zinc/07/85/47/548078547.db2.gz MFRORRRRHMINGF-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670997181 548078552 /nfs/dbraw/zinc/07/85/52/548078552.db2.gz MFRORRRRHMINGF-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671123249 548096540 /nfs/dbraw/zinc/09/65/40/548096540.db2.gz DXVOVNWTJXHWAI-YCPHGPKFSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671123249 548096543 /nfs/dbraw/zinc/09/65/43/548096543.db2.gz DXVOVNWTJXHWAI-YCPHGPKFSA-N 1 3 334.464 0.282 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000671375826 548131260 /nfs/dbraw/zinc/13/12/60/548131260.db2.gz YURBKKWOMKYZQV-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000671849159 548234352 /nfs/dbraw/zinc/23/43/52/548234352.db2.gz ANYWMRCTJUAZOD-MRXNPFEDSA-N 1 3 336.480 0.435 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672011212 548254983 /nfs/dbraw/zinc/25/49/83/548254983.db2.gz QSBAXOCHNILNKY-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000672013799 548256191 /nfs/dbraw/zinc/25/61/91/548256191.db2.gz NSEVRAPOYIRKIU-KGLIPLIRSA-N 1 3 336.480 0.600 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](CC)CN1CCCC1 ZINC000672098942 548269799 /nfs/dbraw/zinc/26/97/99/548269799.db2.gz QZBVDHIJYICNSA-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](CC)CN1CCCC1 ZINC000672098942 548269804 /nfs/dbraw/zinc/26/98/04/548269804.db2.gz QZBVDHIJYICNSA-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000672204337 548281469 /nfs/dbraw/zinc/28/14/69/548281469.db2.gz KEZOSDZURMSKKA-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000672330322 548312319 /nfs/dbraw/zinc/31/23/19/548312319.db2.gz ZDHXPWMJLGVMEE-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000672330322 548312320 /nfs/dbraw/zinc/31/23/20/548312320.db2.gz ZDHXPWMJLGVMEE-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000672699040 548375379 /nfs/dbraw/zinc/37/53/79/548375379.db2.gz WPDIHTCJIMTENQ-IIAWOOMASA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCC1 ZINC000672982840 548423759 /nfs/dbraw/zinc/42/37/59/548423759.db2.gz BCYLVZLRSNVMCQ-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCC1 ZINC000672982840 548423761 /nfs/dbraw/zinc/42/37/61/548423761.db2.gz BCYLVZLRSNVMCQ-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO COC1CCN(CCNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000674331725 548615998 /nfs/dbraw/zinc/61/59/98/548615998.db2.gz ILFJVRHRHJQXIG-MRXNPFEDSA-N 1 3 344.525 0.834 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C1 ZINC000676046989 548783929 /nfs/dbraw/zinc/78/39/29/548783929.db2.gz YBCBVRGYJMEEKL-UONOGXRCSA-N 1 3 346.493 0.958 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000679380507 549086779 /nfs/dbraw/zinc/08/67/79/549086779.db2.gz JHUYVFDXFFXTKG-KRWDZBQOSA-N 1 3 337.512 0.750 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000679380507 549086783 /nfs/dbraw/zinc/08/67/83/549086783.db2.gz JHUYVFDXFFXTKG-KRWDZBQOSA-N 1 3 337.512 0.750 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682595477 549418004 /nfs/dbraw/zinc/41/80/04/549418004.db2.gz DSFQLMZJBGUFBZ-UHFFFAOYSA-N 1 3 338.456 0.183 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H]4C[C@@]4(CO)C3)CC2)CC1 ZINC000782953952 578736163 /nfs/dbraw/zinc/73/61/63/578736163.db2.gz MGZZLYUYOJASRM-KDOFPFPSSA-N 1 3 336.480 0.569 20 0 ECADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nnnn1C1CC1 ZINC000790724062 578879332 /nfs/dbraw/zinc/87/93/32/578879332.db2.gz OJZHQVPTSJKCMT-GFCCVEGCSA-N 1 3 338.460 0.204 20 0 ECADHO C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841008362 588975959 /nfs/dbraw/zinc/97/59/59/588975959.db2.gz YRQFQZWPCSTQCC-AWEZNQCLSA-N 1 3 348.447 0.953 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1)N1CCCC1 ZINC000841007857 588976135 /nfs/dbraw/zinc/97/61/35/588976135.db2.gz SMSPYZRTIJXVKM-ZDUSSCGKSA-N 1 3 334.420 0.563 20 0 ECADHO CN(c1ccc(NC(=O)C(=O)NC2CNC2)cc1)C1CC[NH+](C)CC1 ZINC000841172247 588980535 /nfs/dbraw/zinc/98/05/35/588980535.db2.gz AXEOJVSOADFYFT-UHFFFAOYSA-N 1 3 345.447 0.244 20 0 ECADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000842005929 589007929 /nfs/dbraw/zinc/00/79/29/589007929.db2.gz TUFLBRVSLXVOCH-CYBMUJFWSA-N 1 3 325.363 0.910 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842015935 589008363 /nfs/dbraw/zinc/00/83/63/589008363.db2.gz PJJXRRJPXPEXIS-LSDHHAIUSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000842190551 589019360 /nfs/dbraw/zinc/01/93/60/589019360.db2.gz ULFFQVGLQVLZSK-HNAYVOBHSA-N 1 3 346.475 0.868 20 0 ECADHO CN(C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)C1CCC([NH3+])CC1 ZINC000842219171 589021642 /nfs/dbraw/zinc/02/16/42/589021642.db2.gz XNDSYRNFDQOFLL-YMAMQOFZSA-N 1 3 338.496 0.951 20 0 ECADHO COCCN(C)CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891493573 586171319 /nfs/dbraw/zinc/17/13/19/586171319.db2.gz VGUFJXCEKPANKR-AWEZNQCLSA-N 1 3 328.457 0.023 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891538429 586175050 /nfs/dbraw/zinc/17/50/50/586175050.db2.gz YPESTFIAPUOCLY-HNNXBMFYSA-N 1 3 342.484 0.555 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1)N1CCN(C)CC1 ZINC000891752923 586194038 /nfs/dbraw/zinc/19/40/38/586194038.db2.gz PVLXTQCKEIDRMO-IAGOWNOFSA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](C)C1)N1CCN(C)CC1 ZINC000891752923 586194041 /nfs/dbraw/zinc/19/40/41/586194041.db2.gz PVLXTQCKEIDRMO-IAGOWNOFSA-N 1 3 339.528 0.899 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891982460 586211306 /nfs/dbraw/zinc/21/13/06/586211306.db2.gz WLIZISBZSHQKNZ-UAGQMJEPSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891982460 586211308 /nfs/dbraw/zinc/21/13/08/586211308.db2.gz WLIZISBZSHQKNZ-UAGQMJEPSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000892157587 586225043 /nfs/dbraw/zinc/22/50/43/586225043.db2.gz ZGTWOJYNGLPSFN-CQSZACIVSA-N 1 3 346.422 0.926 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892693048 586283831 /nfs/dbraw/zinc/28/38/31/586283831.db2.gz AMCVEAFGGXQRMY-ARFHVFGLSA-N 1 3 326.485 0.957 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892693048 586283833 /nfs/dbraw/zinc/28/38/33/586283833.db2.gz AMCVEAFGGXQRMY-ARFHVFGLSA-N 1 3 326.485 0.957 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000892789689 586291083 /nfs/dbraw/zinc/29/10/83/586291083.db2.gz RRDPJZUOGGJFCH-MSOLQXFVSA-N 1 3 343.475 0.390 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CCN1c1cc[nH+]cc1 ZINC000897550601 586342438 /nfs/dbraw/zinc/34/24/38/586342438.db2.gz OTOCOYUKPTXEQK-AWEZNQCLSA-N 1 3 345.447 0.329 20 0 ECADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000897550412 586342634 /nfs/dbraw/zinc/34/26/34/586342634.db2.gz JFOQXLJDPHIIPE-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000897584291 586347593 /nfs/dbraw/zinc/34/75/93/586347593.db2.gz AGCIESNLLYQFBL-QGZVFWFLSA-N 1 3 325.453 0.012 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903447077 586776365 /nfs/dbraw/zinc/77/63/65/586776365.db2.gz CUCVWXZLVZFEFX-UONOGXRCSA-N 1 3 331.416 0.968 20 0 ECADHO CC(C)(C)n1nnc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000903506713 586778185 /nfs/dbraw/zinc/77/81/85/586778185.db2.gz WXZSCILHDSYIQN-GASCZTMLSA-N 1 3 333.484 0.829 20 0 ECADHO CC(C)(C)n1nnc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000903506713 586778188 /nfs/dbraw/zinc/77/81/88/586778188.db2.gz WXZSCILHDSYIQN-GASCZTMLSA-N 1 3 333.484 0.829 20 0 ECADHO CNC(=O)[C@@H](NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000903497030 586780042 /nfs/dbraw/zinc/78/00/42/586780042.db2.gz NIRHJOSSYXPNBO-UNEWFSDZSA-N 1 3 332.448 0.507 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510721 586780875 /nfs/dbraw/zinc/78/08/75/586780875.db2.gz JLPUIPBKSVALGY-AEGPPILISA-N 1 3 337.468 0.121 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510721 586780877 /nfs/dbraw/zinc/78/08/77/586780877.db2.gz JLPUIPBKSVALGY-AEGPPILISA-N 1 3 337.468 0.121 20 0 ECADHO C[C@@H](C(=O)Nc1ncccn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509867 586780970 /nfs/dbraw/zinc/78/09/70/586780970.db2.gz CAMXVWOBNGLYER-CWRNSKLLSA-N 1 3 344.463 0.704 20 0 ECADHO C[C@@H](C(=O)Nc1ncccn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509867 586780972 /nfs/dbraw/zinc/78/09/72/586780972.db2.gz CAMXVWOBNGLYER-CWRNSKLLSA-N 1 3 344.463 0.704 20 0 ECADHO CCN1CCC(NC(=O)CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903538636 586783646 /nfs/dbraw/zinc/78/36/46/586783646.db2.gz FRAXPNCJENBAAF-CHWSQXEVSA-N 1 3 336.402 0.798 20 0 ECADHO COCCCNC(=O)C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723314 586801604 /nfs/dbraw/zinc/80/16/04/586801604.db2.gz VDHYDNOFWCUTQI-AEFFLSMTSA-N 1 3 339.480 0.620 20 0 ECADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)CC1 ZINC000903728023 586802473 /nfs/dbraw/zinc/80/24/73/586802473.db2.gz DRXDOHSRCXQQHD-HNNXBMFYSA-N 1 3 338.496 0.761 20 0 ECADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)CC1 ZINC000903728023 586802475 /nfs/dbraw/zinc/80/24/75/586802475.db2.gz DRXDOHSRCXQQHD-HNNXBMFYSA-N 1 3 338.496 0.761 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C[C@H]1[NH3+] ZINC000903728546 586803124 /nfs/dbraw/zinc/80/31/24/586803124.db2.gz QSRWEWHJEKYFMH-HUUCEWRRSA-N 1 3 336.480 0.659 20 0 ECADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000838301390 586803797 /nfs/dbraw/zinc/80/37/97/586803797.db2.gz CYMNGYJRPKSMID-JZXOWHBKSA-N 1 3 336.480 0.977 20 0 ECADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000838301390 586803798 /nfs/dbraw/zinc/80/37/98/586803798.db2.gz CYMNGYJRPKSMID-JZXOWHBKSA-N 1 3 336.480 0.977 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@@H]2C[C@@H]3COC[C@H]3O2)C1)[C@@H]1CCC[NH2+]1 ZINC000903740492 586806285 /nfs/dbraw/zinc/80/62/85/586806285.db2.gz HRMZWERIWMIMNR-BQJWPVKWSA-N 1 3 337.464 0.371 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000903769710 586810097 /nfs/dbraw/zinc/81/00/97/586810097.db2.gz MJWGYEZLMZLPPR-WGIXJMRHSA-N 1 3 337.420 0.047 20 0 ECADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC(C(C)(C)C[NH3+])CC2)C1 ZINC000903790490 586813084 /nfs/dbraw/zinc/81/30/84/586813084.db2.gz KWKAVNKWOOJXQU-INIZCTEOSA-N 1 3 338.496 0.810 20 0 ECADHO Cn1c(CN2CCC(C[NH3+])(c3ccccc3)CC2)cc(=O)n(C)c1=O ZINC000903794545 586813694 /nfs/dbraw/zinc/81/36/94/586813694.db2.gz ZFVBDLVVQQWJIM-UHFFFAOYSA-N 1 3 342.443 0.577 20 0 ECADHO CNS(=O)(=O)C[C@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903775208 586813763 /nfs/dbraw/zinc/81/37/63/586813763.db2.gz ITFMVPBRRRZZKH-GJZGRUSLSA-N 1 3 345.509 0.406 20 0 ECADHO CN1CC(=O)N(CCN2CCC(C[NH3+])(c3ccccc3)CC2)C1=O ZINC000903793869 586813773 /nfs/dbraw/zinc/81/37/73/586813773.db2.gz WLBXBXORHUHUQI-UHFFFAOYSA-N 1 3 330.432 0.873 20 0 ECADHO CN(C)[C@@H](CNC(=O)CN(C)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000903808212 586817130 /nfs/dbraw/zinc/81/71/30/586817130.db2.gz CUVLGGWDYMFFDP-KRWDZBQOSA-N 1 3 348.491 0.845 20 0 ECADHO CC(C)CNC(=O)C1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000904428419 586837097 /nfs/dbraw/zinc/83/70/97/586837097.db2.gz KEVWYRTVCYXASZ-HNNXBMFYSA-N 1 3 338.496 0.668 20 0 ECADHO [NH3+]CC[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C(F)(F)F ZINC000904515919 586839414 /nfs/dbraw/zinc/83/94/14/586839414.db2.gz QNXPMSNHYACWOJ-WOPDTQHZSA-N 1 3 338.374 0.507 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CCC1 ZINC000904969128 586850925 /nfs/dbraw/zinc/85/09/25/586850925.db2.gz BZBNEBDJOJYQRA-RDTXWAMCSA-N 1 3 336.480 0.659 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000904971491 586851495 /nfs/dbraw/zinc/85/14/95/586851495.db2.gz IJEWXIDXFDIJDW-JTDSTZFVSA-N 1 3 348.491 0.803 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[C@@]43CN)CC[C@H]21 ZINC000905007448 586859370 /nfs/dbraw/zinc/85/93/70/586859370.db2.gz IBYNODKWOGOFNF-BASYENTBSA-N 1 3 334.464 0.269 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[C@@]43CN)CC[C@H]21 ZINC000905007448 586859372 /nfs/dbraw/zinc/85/93/72/586859372.db2.gz IBYNODKWOGOFNF-BASYENTBSA-N 1 3 334.464 0.269 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@]34CC[NH2+]C4)C2)C1 ZINC000905010152 586860923 /nfs/dbraw/zinc/86/09/23/586860923.db2.gz FQMXZXGYEHSTHM-ZWKOTPCHSA-N 1 3 334.464 0.285 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@H](O)CCC2(O)CCC2)C1 ZINC000905081570 586866857 /nfs/dbraw/zinc/86/68/57/586866857.db2.gz IDSQYOKOCLAUDD-LSDHHAIUSA-N 1 3 327.469 0.220 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@H](O)CCC2(O)CCC2)C1 ZINC000905081570 586866858 /nfs/dbraw/zinc/86/68/58/586866858.db2.gz IDSQYOKOCLAUDD-LSDHHAIUSA-N 1 3 327.469 0.220 20 0 ECADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)C[C@@]1(O)CCOC1 ZINC000905172259 586876497 /nfs/dbraw/zinc/87/64/97/586876497.db2.gz CVHNZODIYPBYEL-MHORFTMASA-N 1 3 342.480 0.246 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000906728931 586972496 /nfs/dbraw/zinc/97/24/96/586972496.db2.gz QGGVOLRNFBMGEZ-VNQPRFMTSA-N 1 3 346.431 0.575 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000907085328 587014366 /nfs/dbraw/zinc/01/43/66/587014366.db2.gz SNJQKDHPOQUMEG-QAPCUYQASA-N 1 3 334.508 0.955 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000907085328 587014369 /nfs/dbraw/zinc/01/43/69/587014369.db2.gz SNJQKDHPOQUMEG-QAPCUYQASA-N 1 3 334.508 0.955 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817901344 587391228 /nfs/dbraw/zinc/39/12/28/587391228.db2.gz CBABSBDHKATZBD-ONGXEEELSA-N 1 3 329.388 0.888 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000817946036 587393027 /nfs/dbraw/zinc/39/30/27/587393027.db2.gz QPDNAXVDRGXIDS-GOSISDBHSA-N 1 3 336.480 0.674 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817984303 587394315 /nfs/dbraw/zinc/39/43/15/587394315.db2.gz PYASCNXYPFFEFA-RVKKMQEKSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCN1CCOCC1 ZINC000820074483 587507445 /nfs/dbraw/zinc/50/74/45/587507445.db2.gz JSGWCAAWDUNDNT-INIZCTEOSA-N 1 3 343.516 0.232 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCN1CCOCC1 ZINC000820074483 587507446 /nfs/dbraw/zinc/50/74/46/587507446.db2.gz JSGWCAAWDUNDNT-INIZCTEOSA-N 1 3 343.516 0.232 20 0 ECADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(OCCO)CCOCC1 ZINC000848988132 589318366 /nfs/dbraw/zinc/31/83/66/589318366.db2.gz HQIUCSDQZUDMLW-CQSZACIVSA-N 1 3 328.457 0.143 20 0 ECADHO CN1CC[C@@](O)(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000849085536 589319548 /nfs/dbraw/zinc/31/95/48/589319548.db2.gz RTPQWASMRTVBRZ-QGZVFWFLSA-N 1 3 335.427 0.539 20 0 ECADHO COCCN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849515414 589338820 /nfs/dbraw/zinc/33/88/20/589338820.db2.gz GFWCNYKSJGRTOV-HZPDHXFCSA-N 1 3 337.468 0.150 20 0 ECADHO COCCN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849515414 589338822 /nfs/dbraw/zinc/33/88/22/589338822.db2.gz GFWCNYKSJGRTOV-HZPDHXFCSA-N 1 3 337.468 0.150 20 0 ECADHO CN1CCCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000850837843 589386731 /nfs/dbraw/zinc/38/67/31/589386731.db2.gz DGZAANKNUBNGKX-HNNXBMFYSA-N 1 3 345.447 0.245 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851689075 589415049 /nfs/dbraw/zinc/41/50/49/589415049.db2.gz IMRZTNJQYIHBBO-YCPHGPKFSA-N 1 3 334.464 0.330 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C=C2CC[NH2+]CC2)c1 ZINC000852863033 589519188 /nfs/dbraw/zinc/51/91/88/589519188.db2.gz JJBWJOZLXTWCLY-UHFFFAOYSA-N 1 3 344.459 0.904 20 0 ECADHO CN1CCN(Cc2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852872358 589520596 /nfs/dbraw/zinc/52/05/96/589520596.db2.gz FCSTVNRDZGZRJT-HNNXBMFYSA-N 1 3 331.420 0.476 20 0 ECADHO CCn1cc(C(=O)C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000866041343 589717960 /nfs/dbraw/zinc/71/79/60/589717960.db2.gz RKWDQTNHKNGLOS-HUUCEWRRSA-N 1 3 335.452 0.284 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCN1C ZINC000867521976 589798405 /nfs/dbraw/zinc/79/84/05/589798405.db2.gz FYMQVNQFVKQEAD-FPCVCCKLSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCN1C ZINC000867521976 589798411 /nfs/dbraw/zinc/79/84/11/589798411.db2.gz FYMQVNQFVKQEAD-FPCVCCKLSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000867874051 589856465 /nfs/dbraw/zinc/85/64/65/589856465.db2.gz WXQRASOCJGMTMU-MJBXVCDLSA-N 1 3 340.468 0.461 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000867874051 589856467 /nfs/dbraw/zinc/85/64/67/589856467.db2.gz WXQRASOCJGMTMU-MJBXVCDLSA-N 1 3 340.468 0.461 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc2)CC1 ZINC000861538644 589861039 /nfs/dbraw/zinc/86/10/39/589861039.db2.gz DRAFCWZVVBNOLQ-AWEZNQCLSA-N 1 3 347.463 0.573 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@H]21 ZINC000868165477 589877320 /nfs/dbraw/zinc/87/73/20/589877320.db2.gz BXBOCIZNUCAHHL-DZGCQCFKSA-N 1 3 345.451 0.444 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@H]21 ZINC000868165477 589877322 /nfs/dbraw/zinc/87/73/22/589877322.db2.gz BXBOCIZNUCAHHL-DZGCQCFKSA-N 1 3 345.451 0.444 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861750863 589887190 /nfs/dbraw/zinc/88/71/90/589887190.db2.gz WHJQPGFPDSOWAC-OAHLLOKOSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(CN(C)C)cc2)C[C@H]1C[NH3+] ZINC000868367822 589897052 /nfs/dbraw/zinc/89/70/52/589897052.db2.gz BBCOXDUVXPUELY-RHSMWYFYSA-N 1 3 346.475 0.760 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000868368820 589897362 /nfs/dbraw/zinc/89/73/62/589897362.db2.gz QMFBCTKZCIZXEZ-CALCHBBNSA-N 1 3 344.459 0.669 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000868375152 589898211 /nfs/dbraw/zinc/89/82/11/589898211.db2.gz ZBMWUGWRIOHJJP-CVEARBPZSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000868375152 589898213 /nfs/dbraw/zinc/89/82/13/589898213.db2.gz ZBMWUGWRIOHJJP-CVEARBPZSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000868375155 589898706 /nfs/dbraw/zinc/89/87/06/589898706.db2.gz ZBMWUGWRIOHJJP-HZPDHXFCSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000868375155 589898707 /nfs/dbraw/zinc/89/87/07/589898707.db2.gz ZBMWUGWRIOHJJP-HZPDHXFCSA-N 1 3 337.512 0.891 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[C@H](N2CCCCC2)C1 ZINC000868417706 589904312 /nfs/dbraw/zinc/90/43/12/589904312.db2.gz GSKKGOOYSUVEFR-HRCADAONSA-N 1 3 334.464 0.426 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000868519677 589912065 /nfs/dbraw/zinc/91/20/65/589912065.db2.gz DYFLHQFZBKXFIN-MELADBBJSA-N 1 3 340.468 0.604 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000868519677 589912066 /nfs/dbraw/zinc/91/20/66/589912066.db2.gz DYFLHQFZBKXFIN-MELADBBJSA-N 1 3 340.468 0.604 20 0 ECADHO COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)O1 ZINC000862167499 589925969 /nfs/dbraw/zinc/92/59/69/589925969.db2.gz XKKKLYVPYZCHOQ-MJBXVCDLSA-N 1 3 329.441 0.095 20 0 ECADHO COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)O1 ZINC000862167499 589925970 /nfs/dbraw/zinc/92/59/70/589925970.db2.gz XKKKLYVPYZCHOQ-MJBXVCDLSA-N 1 3 329.441 0.095 20 0 ECADHO Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000870024887 589990424 /nfs/dbraw/zinc/99/04/24/589990424.db2.gz VXTORHCWAMBACI-HUUCEWRRSA-N 1 3 349.479 0.417 20 0 ECADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)CCCCCC[NH3+] ZINC000872155175 590099343 /nfs/dbraw/zinc/09/93/43/590099343.db2.gz FOPBCPCKDQKZGY-MRXNPFEDSA-N 1 3 348.495 0.965 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1)C2 ZINC000872187866 590100552 /nfs/dbraw/zinc/10/05/52/590100552.db2.gz KUDSVZWRKOFIQR-FRQCXROJSA-N 1 3 348.491 0.531 20 0 ECADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000872282496 590110446 /nfs/dbraw/zinc/11/04/46/590110446.db2.gz LYMVCMMWXQTLFE-JKSUJKDBSA-N 1 3 336.480 0.661 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304591 590112992 /nfs/dbraw/zinc/11/29/92/590112992.db2.gz ZBILPBUYBXQMKZ-TUVASFSCSA-N 1 3 336.436 0.254 20 0 ECADHO CN1CCN(C2CCN(C(=S)NCCC[NH+](C)C)CC2)CC1 ZINC000865266819 590137506 /nfs/dbraw/zinc/13/75/06/590137506.db2.gz AAJXWYWQMJNKHF-UHFFFAOYSA-N 1 3 327.542 0.524 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000874996456 590261552 /nfs/dbraw/zinc/26/15/52/590261552.db2.gz IGFSCJIPZPXCEY-UHFFFAOYSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(CO)(CO)CC1 ZINC000875712169 590323377 /nfs/dbraw/zinc/32/33/77/590323377.db2.gz BYVPXVNFQUWNPG-HNNXBMFYSA-N 1 3 344.500 0.035 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(CO)(CO)CC1 ZINC000875712169 590323381 /nfs/dbraw/zinc/32/33/81/590323381.db2.gz BYVPXVNFQUWNPG-HNNXBMFYSA-N 1 3 344.500 0.035 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000876740409 590407534 /nfs/dbraw/zinc/40/75/34/590407534.db2.gz MHSIRCYEVFTBBL-JKSUJKDBSA-N 1 3 346.475 0.968 20 0 ECADHO Cn1ncc(CN)c1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000876886842 590422277 /nfs/dbraw/zinc/42/22/77/590422277.db2.gz BCUHKVCDNZPZOL-UHFFFAOYSA-N 1 3 328.420 0.920 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000877206505 590444447 /nfs/dbraw/zinc/44/44/47/590444447.db2.gz IXGDBEHQWUCUJA-CQSZACIVSA-N 1 3 328.420 0.684 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000877206505 590444450 /nfs/dbraw/zinc/44/44/50/590444450.db2.gz IXGDBEHQWUCUJA-CQSZACIVSA-N 1 3 328.420 0.684 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@H](F)[C@H]3CC[NH2+]C3)c2)nn1 ZINC000877206727 590445410 /nfs/dbraw/zinc/44/54/10/590445410.db2.gz NXZRMYWRTBVOGG-SWLSCSKDSA-N 1 3 332.383 0.290 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1=O ZINC000877280238 590453061 /nfs/dbraw/zinc/45/30/61/590453061.db2.gz BRVMXKVSIIDULE-QBPKDAKJSA-N 1 3 348.491 0.672 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1(C)C ZINC000877332285 590458026 /nfs/dbraw/zinc/45/80/26/590458026.db2.gz XPQAPSKPWBWRBH-PMUMKWKESA-N 1 3 339.480 0.794 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000877339715 590458933 /nfs/dbraw/zinc/45/89/33/590458933.db2.gz GIOCTKZZSIWRCN-CABCVRRESA-N 1 3 325.416 0.931 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1c1ccncc1 ZINC000883639643 590637408 /nfs/dbraw/zinc/63/74/08/590637408.db2.gz VHPBWYXQRGAVBC-KGLIPLIRSA-N 1 3 331.420 0.068 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)[NH2+]C1 ZINC000884882436 590640761 /nfs/dbraw/zinc/64/07/61/590640761.db2.gz CKGAEIDNPAGJQB-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884921608 590649666 /nfs/dbraw/zinc/64/96/66/590649666.db2.gz BPYSLDRVJZKPPY-DZKIICNBSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885162891 590691160 /nfs/dbraw/zinc/69/11/60/590691160.db2.gz UQZXIXPLTAYHAE-QGZVFWFLSA-N 1 3 346.475 0.616 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000885291009 590705448 /nfs/dbraw/zinc/70/54/48/590705448.db2.gz JYDHSACYPWWQAT-LBPRGKRZSA-N 1 3 346.422 0.290 20 0 ECADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccnc(N2CCNCC2)c1 ZINC000884193016 590769360 /nfs/dbraw/zinc/76/93/60/590769360.db2.gz UJURNALQEPCXOT-HOTGVXAUSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnc(N2CCNCC2)c1 ZINC000884193016 590769364 /nfs/dbraw/zinc/76/93/64/590769364.db2.gz UJURNALQEPCXOT-HOTGVXAUSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000884280333 590794324 /nfs/dbraw/zinc/79/43/24/590794324.db2.gz ISIVBYVUXFUDLL-GOSISDBHSA-N 1 3 329.448 0.707 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)c2ccnc(N3CCNCC3)c2)cc1 ZINC000884375497 590815567 /nfs/dbraw/zinc/81/55/67/590815567.db2.gz BNZLCAGWDYRXDJ-UHFFFAOYSA-N 1 3 325.416 0.880 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000884503144 590845348 /nfs/dbraw/zinc/84/53/48/590845348.db2.gz CCZZNWIBSXWBNC-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CCC1 ZINC000884528886 590851576 /nfs/dbraw/zinc/85/15/76/590851576.db2.gz AHLXXYWUDJIQHT-MRXNPFEDSA-N 1 3 346.475 0.663 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884545614 590853320 /nfs/dbraw/zinc/85/33/20/590853320.db2.gz MVFXAPFLKKSCPE-AWEZNQCLSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)CCCCCC[NH3+])C1 ZINC000884576477 590861811 /nfs/dbraw/zinc/86/18/11/590861811.db2.gz ILPHPKJZTQCCEE-OAHLLOKOSA-N 1 3 326.485 0.812 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000884577343 590862203 /nfs/dbraw/zinc/86/22/03/590862203.db2.gz CTKWTSHMIFIUQL-OAHLLOKOSA-N 1 3 326.485 0.955 20 0 ECADHO Cn1ccn2c(CCN[C@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)nnc2c1=O ZINC000886698400 590870968 /nfs/dbraw/zinc/87/09/68/590870968.db2.gz FAWXBRAOLAEJEU-IHRRRGAJSA-N 1 3 330.436 0.433 20 0 ECADHO Cn1ccn2c(CCN[C@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)nnc2c1=O ZINC000886698400 590870971 /nfs/dbraw/zinc/87/09/71/590870971.db2.gz FAWXBRAOLAEJEU-IHRRRGAJSA-N 1 3 330.436 0.433 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000884612034 590871583 /nfs/dbraw/zinc/87/15/83/590871583.db2.gz BHZVVJCZYHHYHT-CZUORRHYSA-N 1 3 342.509 0.140 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000884625340 590875985 /nfs/dbraw/zinc/87/59/85/590875985.db2.gz HNPKIRIETGIWNX-IAGOWNOFSA-N 1 3 344.459 0.717 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000884631729 590878756 /nfs/dbraw/zinc/87/87/56/590878756.db2.gz VMLVSMNMCMXXND-HUUCEWRRSA-N 1 3 336.480 0.481 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884650601 590883473 /nfs/dbraw/zinc/88/34/73/590883473.db2.gz PPFKXDFNSJHQDU-GHMZBOCLSA-N 1 3 338.374 0.040 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884650741 590883494 /nfs/dbraw/zinc/88/34/94/590883494.db2.gz UJNKRLLAAABSFO-MRXNPFEDSA-N 1 3 332.448 0.275 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884664710 590885729 /nfs/dbraw/zinc/88/57/29/590885729.db2.gz SPVQTXOPDLZHSG-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884665428 590886524 /nfs/dbraw/zinc/88/65/24/590886524.db2.gz TWXRCALTCXFOOL-PBHICJAKSA-N 1 3 346.475 0.664 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000884674876 590889434 /nfs/dbraw/zinc/88/94/34/590889434.db2.gz KQTOVUWMEHELPW-AWEZNQCLSA-N 1 3 345.447 0.235 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000884676100 590890061 /nfs/dbraw/zinc/89/00/61/590890061.db2.gz CAAFESCJGNBZBB-CQSZACIVSA-N 1 3 345.447 0.377 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000884699093 590900712 /nfs/dbraw/zinc/90/07/12/590900712.db2.gz XKPHEEFZRYLJPN-AWEZNQCLSA-N 1 3 326.485 0.809 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000884720606 590908704 /nfs/dbraw/zinc/90/87/04/590908704.db2.gz QUEHZCPJXAIJFP-CQSZACIVSA-N 1 3 326.485 0.953 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884787050 590923477 /nfs/dbraw/zinc/92/34/77/590923477.db2.gz FHMYQJUFHVKLRX-RDTXWAMCSA-N 1 3 338.496 0.810 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000887064246 590934468 /nfs/dbraw/zinc/93/44/68/590934468.db2.gz CKFSXSLPRDWENY-UHFFFAOYSA-N 1 3 334.464 0.413 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000887091242 590942369 /nfs/dbraw/zinc/94/23/69/590942369.db2.gz FPAGPHOJSSIDDN-ZDUSSCGKSA-N 1 3 331.420 0.068 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000887091744 590943163 /nfs/dbraw/zinc/94/31/63/590943163.db2.gz VCMXPHGFJACKLK-CABCVRRESA-N 1 3 345.447 0.316 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946615183 611365254 /nfs/dbraw/zinc/36/52/54/611365254.db2.gz JDEHNSCGESPLBJ-XHSDSOJGSA-N 1 3 336.480 0.517 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946615183 611365255 /nfs/dbraw/zinc/36/52/55/611365255.db2.gz JDEHNSCGESPLBJ-XHSDSOJGSA-N 1 3 336.480 0.517 20 0 ECADHO CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCN1CC)C[NH+](C)C ZINC000929956950 611371711 /nfs/dbraw/zinc/37/17/11/611371711.db2.gz XOPWSBXZMIUAQJ-GJZGRUSLSA-N 1 3 342.484 0.060 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697004 611419210 /nfs/dbraw/zinc/41/92/10/611419210.db2.gz KJCYLOSGUGEKJN-JZXOWHBKSA-N 1 3 348.491 0.517 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946765241 611460576 /nfs/dbraw/zinc/46/05/76/611460576.db2.gz JOLODYCXUNKNRF-LVQVYYBASA-N 1 3 338.496 0.617 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946765241 611460580 /nfs/dbraw/zinc/46/05/80/611460580.db2.gz JOLODYCXUNKNRF-LVQVYYBASA-N 1 3 338.496 0.617 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779866 611473069 /nfs/dbraw/zinc/47/30/69/611473069.db2.gz UQXDKTANEJHNDI-HRCADAONSA-N 1 3 336.480 0.245 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779866 611473071 /nfs/dbraw/zinc/47/30/71/611473071.db2.gz UQXDKTANEJHNDI-HRCADAONSA-N 1 3 336.480 0.245 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000946804912 611493563 /nfs/dbraw/zinc/49/35/63/611493563.db2.gz RTXBWKWCJAPXMB-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000946804912 611493566 /nfs/dbraw/zinc/49/35/66/611493566.db2.gz RTXBWKWCJAPXMB-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO O=C1COC[C@]2(CN[C@H]3CC[NH2+]C[C@@H]3C3CCCC3)COCCN12 ZINC000925727685 611495920 /nfs/dbraw/zinc/49/59/20/611495920.db2.gz QELPGBYIXZCVBM-RYRKJORJSA-N 1 3 337.464 0.372 20 0 ECADHO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931286088 611528819 /nfs/dbraw/zinc/52/88/19/611528819.db2.gz ADSJYOWYVPGXMF-WBVHZDCISA-N 1 3 330.469 0.586 20 0 ECADHO COc1ccccc1C[C@@](C)(CO)NCC(=O)NC1CC[NH+](C)CC1 ZINC000931601711 611552998 /nfs/dbraw/zinc/55/29/98/611552998.db2.gz VIAZUURPPMFVJP-IBGZPJMESA-N 1 3 349.475 0.789 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000948411142 611578605 /nfs/dbraw/zinc/57/86/05/611578605.db2.gz YKVSLJLCZXTHJO-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000948411142 611578608 /nfs/dbraw/zinc/57/86/08/611578608.db2.gz YKVSLJLCZXTHJO-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000948411141 611578035 /nfs/dbraw/zinc/57/80/35/611578035.db2.gz YKVSLJLCZXTHJO-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000948411141 611578039 /nfs/dbraw/zinc/57/80/39/611578039.db2.gz YKVSLJLCZXTHJO-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000932417426 611624302 /nfs/dbraw/zinc/62/43/02/611624302.db2.gz FQPRCKFJKHOPQA-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO CCO[C@H](CNC(=O)C(=O)N1CCCN(C(C)C)CC1)C[NH+](C)C ZINC000932471021 611631925 /nfs/dbraw/zinc/63/19/25/611631925.db2.gz DJFXCWIIDWZADG-OAHLLOKOSA-N 1 3 342.484 0.012 20 0 ECADHO C[C@H]1[NH2+]CCC[C@H]1NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000925598940 609126313 /nfs/dbraw/zinc/12/63/13/609126313.db2.gz NWIACBCQBQFMSC-ZYHUDNBSSA-N 1 3 325.425 0.981 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000938318294 609732036 /nfs/dbraw/zinc/73/20/36/609732036.db2.gz CPZJXLZRJGWRPP-YQQAZPJKSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000938318294 609732037 /nfs/dbraw/zinc/73/20/37/609732037.db2.gz CPZJXLZRJGWRPP-YQQAZPJKSA-N 1 3 338.496 0.632 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC000938319204 609733091 /nfs/dbraw/zinc/73/30/91/609733091.db2.gz GXSWHTURHXHFLL-INIZCTEOSA-N 1 3 348.491 0.531 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910736395 609754505 /nfs/dbraw/zinc/75/45/05/609754505.db2.gz MNKVWPJWWZCXSB-MAUKXSAKSA-N 1 3 336.480 0.341 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910736395 609754506 /nfs/dbraw/zinc/75/45/06/609754506.db2.gz MNKVWPJWWZCXSB-MAUKXSAKSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000910961902 609783380 /nfs/dbraw/zinc/78/33/80/609783380.db2.gz GTAFYKPNXFWFCZ-PVAVHDDUSA-N 1 3 346.475 0.247 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)N1CCC(C)CC1 ZINC000911090323 609807813 /nfs/dbraw/zinc/80/78/13/609807813.db2.gz HCRKKYNSHDRHLJ-XHSDSOJGSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911162534 609818004 /nfs/dbraw/zinc/81/80/04/609818004.db2.gz TXSHJQUVWLRGCY-IAOVAPTHSA-N 1 3 344.459 0.718 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911323806 609847921 /nfs/dbraw/zinc/84/79/21/609847921.db2.gz VVBOLQHHKYPLPJ-UHFFFAOYSA-N 1 3 346.475 0.870 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911325128 609848235 /nfs/dbraw/zinc/84/82/35/609848235.db2.gz OSXUYUFCRWWMRZ-XUWVNRHRSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914111207 609854022 /nfs/dbraw/zinc/85/40/22/609854022.db2.gz WVWQKNSASNKMCX-OAGGEKHMSA-N 1 3 327.494 0.971 20 0 ECADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914111207 609854023 /nfs/dbraw/zinc/85/40/23/609854023.db2.gz WVWQKNSASNKMCX-OAGGEKHMSA-N 1 3 327.494 0.971 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517616 609890481 /nfs/dbraw/zinc/89/04/81/609890481.db2.gz WTMRJSYOPQEELT-VDNDLQMASA-N 1 3 344.459 0.526 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517616 609890482 /nfs/dbraw/zinc/89/04/82/609890482.db2.gz WTMRJSYOPQEELT-VDNDLQMASA-N 1 3 344.459 0.526 20 0 ECADHO O=C(C1CC[NH+](C[C@@H](O)CN2CCCC2)CC1)N1CCOCC1 ZINC000915360130 609910260 /nfs/dbraw/zinc/91/02/60/609910260.db2.gz PPVJXLKBAVWNNZ-INIZCTEOSA-N 1 3 325.453 0.014 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000939914103 610167160 /nfs/dbraw/zinc/16/71/60/610167160.db2.gz ORRIXQNOHUSRIL-OFQRWUPVSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000939914103 610167161 /nfs/dbraw/zinc/16/71/61/610167161.db2.gz ORRIXQNOHUSRIL-OFQRWUPVSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N1CCCC1 ZINC000939543283 610232555 /nfs/dbraw/zinc/23/25/55/610232555.db2.gz BVGAHWAAQLUVBF-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC000940407659 610277559 /nfs/dbraw/zinc/27/75/59/610277559.db2.gz HTKQLIWRJRWOHX-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)CC1 ZINC000941544880 610369602 /nfs/dbraw/zinc/36/96/02/610369602.db2.gz DKCRGOQECZDQRV-UHFFFAOYSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000941694881 610467699 /nfs/dbraw/zinc/46/76/99/610467699.db2.gz REEJSRLCPDCCQG-LSDHHAIUSA-N 1 3 334.464 0.141 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000941271329 610627056 /nfs/dbraw/zinc/62/70/56/610627056.db2.gz IGIRBRHEYHJKBG-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)[C@H](C(=O)N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1)C1CC1 ZINC000941351198 610687333 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ZINC001067463715 737321497 /nfs/dbraw/zinc/32/14/97/737321497.db2.gz NLZREBFXZPXQFF-OAHLLOKOSA-N 1 3 326.485 0.585 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067463715 737321500 /nfs/dbraw/zinc/32/15/00/737321500.db2.gz NLZREBFXZPXQFF-OAHLLOKOSA-N 1 3 326.485 0.585 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)nn1 ZINC001023889356 737464514 /nfs/dbraw/zinc/46/45/14/737464514.db2.gz NCPZPDOBRCITQZ-GDBMZVCRSA-N 1 3 347.463 0.908 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001023890235 737465032 /nfs/dbraw/zinc/46/50/32/737465032.db2.gz WHNBRLXJPSPELI-GOEBONIOSA-N 1 3 347.463 0.908 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H](CNCc2nncn2C)C1)[NH+](C)C ZINC001024139542 737753034 /nfs/dbraw/zinc/75/30/34/737753034.db2.gz KRBNKUALXXPUNL-GDBMZVCRSA-N 1 3 336.484 0.730 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)N(C)C ZINC000972860265 737772876 /nfs/dbraw/zinc/77/28/76/737772876.db2.gz WHWCWTYNCCJKKH-BZUAXINKSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001006455509 751403523 /nfs/dbraw/zinc/40/35/23/751403523.db2.gz HYPNLWMBERZRDL-CQSZACIVSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001006458505 751407333 /nfs/dbraw/zinc/40/73/33/751407333.db2.gz SNIQHPSEVPWDCN-DZGCQCFKSA-N 1 3 334.464 0.140 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000973295734 739060919 /nfs/dbraw/zinc/06/09/19/739060919.db2.gz OQHONFYMCULAOT-VGWMRTNUSA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000973295734 739060922 /nfs/dbraw/zinc/06/09/22/739060922.db2.gz OQHONFYMCULAOT-VGWMRTNUSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CCNCc1cnnn1C ZINC001104595774 739152075 /nfs/dbraw/zinc/15/20/75/739152075.db2.gz ZDRNEJOBQXQXGD-HUUCEWRRSA-N 1 3 348.495 0.731 20 0 ECADHO CN(C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000988006667 751425725 /nfs/dbraw/zinc/42/57/25/751425725.db2.gz CQZVCHFLAPNQFS-HZPDHXFCSA-N 1 3 336.480 0.341 20 0 ECADHO CN(C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000988006667 751425730 /nfs/dbraw/zinc/42/57/30/751425730.db2.gz CQZVCHFLAPNQFS-HZPDHXFCSA-N 1 3 336.480 0.341 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1)N(C)C ZINC001104691104 739489894 /nfs/dbraw/zinc/48/98/94/739489894.db2.gz JRSIBZCVENFREJ-OAGGEKHMSA-N 1 3 336.484 0.693 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000982012569 751461832 /nfs/dbraw/zinc/46/18/32/751461832.db2.gz ACJLJCCQBSKEMC-HZPDHXFCSA-N 1 3 346.479 0.400 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000982012569 751461840 /nfs/dbraw/zinc/46/18/40/751461840.db2.gz ACJLJCCQBSKEMC-HZPDHXFCSA-N 1 3 346.479 0.400 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001025813357 739985743 /nfs/dbraw/zinc/98/57/43/739985743.db2.gz GCRDXNSNURTECH-ALYAQQCSSA-N 1 3 346.475 0.328 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001025813357 739985747 /nfs/dbraw/zinc/98/57/47/739985747.db2.gz GCRDXNSNURTECH-ALYAQQCSSA-N 1 3 346.475 0.328 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001026149216 740424259 /nfs/dbraw/zinc/42/42/59/740424259.db2.gz XLXVLLHMVQDWBG-NDVMQCNYSA-N 1 3 331.464 0.802 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001026149216 740424262 /nfs/dbraw/zinc/42/42/62/740424262.db2.gz XLXVLLHMVQDWBG-NDVMQCNYSA-N 1 3 331.464 0.802 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001104812790 740554824 /nfs/dbraw/zinc/55/48/24/740554824.db2.gz VACMAUYRTAWCOX-QLFBSQMISA-N 1 3 326.485 0.537 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cnnn3C)[C@@H]2C1)C1CCC1 ZINC001026283902 740743800 /nfs/dbraw/zinc/74/38/00/740743800.db2.gz MYKCHSLYNVLKSA-XKQJLSEDSA-N 1 3 346.479 0.626 20 0 ECADHO Cn1nncc1CNCC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167736460 740795595 /nfs/dbraw/zinc/79/55/95/740795595.db2.gz APOODRKEVOXVLY-AWEZNQCLSA-N 1 3 334.468 0.533 20 0 ECADHO Cn1nncc1CNCC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167736460 740795599 /nfs/dbraw/zinc/79/55/99/740795599.db2.gz APOODRKEVOXVLY-AWEZNQCLSA-N 1 3 334.468 0.533 20 0 ECADHO Cn1cc(CN[C@@H]2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)nn1 ZINC001026399911 741237809 /nfs/dbraw/zinc/23/78/09/741237809.db2.gz AOWWRJGPHDVADT-NUEKZKHPSA-N 1 3 344.463 0.238 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000974326640 741322133 /nfs/dbraw/zinc/32/21/33/741322133.db2.gz XSOWKMZVDDWZEM-GASCZTMLSA-N 1 3 348.491 0.578 20 0 ECADHO Cn1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]23)n1 ZINC001026421366 741337604 /nfs/dbraw/zinc/33/76/04/741337604.db2.gz SCOKGVPMNXVHFC-DJIMGWMZSA-N 1 3 331.464 0.843 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001026728152 741719745 /nfs/dbraw/zinc/71/97/45/741719745.db2.gz ZOQDBZIPSRZJLA-DOTOQJQBSA-N 1 3 344.459 0.818 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001026734617 741740100 /nfs/dbraw/zinc/74/01/00/741740100.db2.gz QPMIORGHKNFNGB-HIFRSBDPSA-N 1 3 333.436 0.518 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105327205 741812771 /nfs/dbraw/zinc/81/27/71/741812771.db2.gz WHJQTRUPNAFYOE-CQSZACIVSA-N 1 3 346.479 0.893 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105327205 741812774 /nfs/dbraw/zinc/81/27/74/741812774.db2.gz WHJQTRUPNAFYOE-CQSZACIVSA-N 1 3 346.479 0.893 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC001026885697 742026741 /nfs/dbraw/zinc/02/67/41/742026741.db2.gz LVNRBEAVZAILOM-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO Cn1cc(CNC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC001026988676 742263008 /nfs/dbraw/zinc/26/30/08/742263008.db2.gz MLBUYXVNPIAMMG-CQSZACIVSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001027062708 742429426 /nfs/dbraw/zinc/42/94/26/742429426.db2.gz AFDNWRBJBJANIP-RDJZCZTQSA-N 1 3 346.475 0.808 20 0 ECADHO CC(C)(C)N1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091150 742524198 /nfs/dbraw/zinc/52/41/98/742524198.db2.gz FEYMDPVJKZFYIG-ZFWWWQNUSA-N 1 3 347.463 0.790 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001027092015 742526839 /nfs/dbraw/zinc/52/68/39/742526839.db2.gz YUXPBEXTGVPMJN-AWEZNQCLSA-N 1 3 329.404 0.994 20 0 ECADHO COc1cc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)on1 ZINC000997007151 743120614 /nfs/dbraw/zinc/12/06/14/743120614.db2.gz ITJWGVJCRQAVCB-WFASDCNBSA-N 1 3 336.436 0.962 20 0 ECADHO COc1cc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)on1 ZINC000997007151 743120617 /nfs/dbraw/zinc/12/06/17/743120617.db2.gz ITJWGVJCRQAVCB-WFASDCNBSA-N 1 3 336.436 0.962 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCN(C(C)C)C2=O)CC1)N(C)C ZINC000997008617 743122755 /nfs/dbraw/zinc/12/27/55/743122755.db2.gz AFSVTMTYBDJXIN-HOTGVXAUSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccnc(OC)n2)CC1)N(C)C ZINC000997010194 743126438 /nfs/dbraw/zinc/12/64/38/743126438.db2.gz RFUNYXCRWMAKAA-HNNXBMFYSA-N 1 3 335.452 0.906 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217567 743194500 /nfs/dbraw/zinc/19/45/00/743194500.db2.gz LZIQLQMKMTXULR-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997184862 743326896 /nfs/dbraw/zinc/32/68/96/743326896.db2.gz AACFZOYWMSBRNX-UHFFFAOYSA-N 1 3 345.447 0.662 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1)C1CC1 ZINC000997830331 743841555 /nfs/dbraw/zinc/84/15/55/743841555.db2.gz IDUOEKSZIZTFOE-INIZCTEOSA-N 1 3 334.468 0.484 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]21 ZINC000976507523 744038267 /nfs/dbraw/zinc/03/82/67/744038267.db2.gz MNFDYOWXWVDYKE-ALYAQQCSSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]21 ZINC000976507523 744038270 /nfs/dbraw/zinc/03/82/70/744038270.db2.gz MNFDYOWXWVDYKE-ALYAQQCSSA-N 1 3 348.491 0.526 20 0 ECADHO O=C(CN1CCCC1)N1CCC(C[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC000998269330 744088721 /nfs/dbraw/zinc/08/87/21/744088721.db2.gz MNJSDAIHUMMUOE-INIZCTEOSA-N 1 3 346.479 0.689 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)CCn3cncn3)C2)CC[N@@H+]1C ZINC001027416213 744267382 /nfs/dbraw/zinc/26/73/82/744267382.db2.gz BPXHRXBFYPDRHH-BZUAXINKSA-N 1 3 334.468 0.541 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)CCn3cncn3)C2)CC[N@H+]1C ZINC001027416213 744267383 /nfs/dbraw/zinc/26/73/83/744267383.db2.gz BPXHRXBFYPDRHH-BZUAXINKSA-N 1 3 334.468 0.541 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC000999205966 744566052 /nfs/dbraw/zinc/56/60/52/744566052.db2.gz GXCXRGAXAOJVBR-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC000999205966 744566054 /nfs/dbraw/zinc/56/60/54/744566054.db2.gz GXCXRGAXAOJVBR-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)C1CCC1 ZINC000999380746 744667452 /nfs/dbraw/zinc/66/74/52/744667452.db2.gz WDSKRYHPDLVOLS-CQSZACIVSA-N 1 3 337.468 0.077 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC000999497938 744724156 /nfs/dbraw/zinc/72/41/56/744724156.db2.gz STFWDXJEZMIBLR-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999707701 744857187 /nfs/dbraw/zinc/85/71/87/744857187.db2.gz KQNGXMKXTTXSOI-UHFFFAOYSA-N 1 3 332.452 0.473 20 0 ECADHO COc1ncc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)c(C)n1 ZINC000999834126 744929257 /nfs/dbraw/zinc/92/92/57/744929257.db2.gz SARXRJJAMQRLJB-UHFFFAOYSA-N 1 3 347.463 0.968 20 0 ECADHO Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CN4CCC[C@H]4CO3)C2)cn1 ZINC000983715512 745091152 /nfs/dbraw/zinc/09/11/52/745091152.db2.gz IEWJJSOILLDGOH-QSPRXWTASA-N 1 3 347.463 0.268 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001000181859 745317419 /nfs/dbraw/zinc/31/74/19/745317419.db2.gz ALNYFSRDCKSOEE-RDJZCZTQSA-N 1 3 346.475 0.950 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001000182762 745318864 /nfs/dbraw/zinc/31/88/64/745318864.db2.gz GFDOEJHYLLNYBU-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)n1 ZINC001000189143 745325635 /nfs/dbraw/zinc/32/56/35/745325635.db2.gz CVTGHHYWIRPSCK-WMLDXEAASA-N 1 3 348.495 0.817 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC001000228401 745363853 /nfs/dbraw/zinc/36/38/53/745363853.db2.gz STFWDXJEZMIBLR-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO Cn1nncc1CNCC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167783670 745384832 /nfs/dbraw/zinc/38/48/32/745384832.db2.gz BIKCXIYCYFZOPS-UHFFFAOYSA-N 1 3 336.484 0.923 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001000314484 745422421 /nfs/dbraw/zinc/42/24/21/745422421.db2.gz XUYCDCAWLAWRLF-KGLIPLIRSA-N 1 3 333.436 0.449 20 0 ECADHO C[C@H](O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112155787 745439650 /nfs/dbraw/zinc/43/96/50/745439650.db2.gz KKJYPSLGRZZZTP-QJPTWQEYSA-N 1 3 325.375 0.688 20 0 ECADHO CN1CC[C@@H](N[C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001000392678 745471406 /nfs/dbraw/zinc/47/14/06/745471406.db2.gz ZUVIEGCHPMXYPI-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)CN(C)C1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000977778670 745498777 /nfs/dbraw/zinc/49/87/77/745498777.db2.gz UGDDHZXRYQUFRR-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)CN(C)C1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977778670 745498783 /nfs/dbraw/zinc/49/87/83/745498783.db2.gz UGDDHZXRYQUFRR-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO O=C(NCC1=CCN(CCn2cccn2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001000707096 745712720 /nfs/dbraw/zinc/71/27/20/745712720.db2.gz BTGASIOYRCVXEB-SFHVURJKSA-N 1 3 343.475 0.973 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CCN(CCc2ccnn2C)CC1 ZINC001001149788 746116949 /nfs/dbraw/zinc/11/69/49/746116949.db2.gz ARKBSNPLCJEEHU-YJBOKZPZSA-N 1 3 345.491 0.909 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(CCc2ccnn2C)CC1 ZINC001001149788 746116951 /nfs/dbraw/zinc/11/69/51/746116951.db2.gz ARKBSNPLCJEEHU-YJBOKZPZSA-N 1 3 345.491 0.909 20 0 ECADHO CN1CC[C@@H](N2CCC(CNC(=O)C34CCC[NH+]3CCC4)CC2)C1=O ZINC001001584775 746514215 /nfs/dbraw/zinc/51/42/15/746514215.db2.gz JBAZVHYXAQOOHI-MRXNPFEDSA-N 1 3 348.491 0.674 20 0 ECADHO COCC[NH+]1CCC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001647169 746569132 /nfs/dbraw/zinc/56/91/32/746569132.db2.gz SNNUNGQHGQJRCT-UPTPFMHGSA-N 1 3 337.464 0.324 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001087908381 746635039 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ZINC000980800243 750180443 /nfs/dbraw/zinc/18/04/43/750180443.db2.gz OGNHICFIAWOUIC-HUUCEWRRSA-N 1 3 347.463 0.908 20 0 ECADHO Cc1cncn1CC(=O)N1CC2(C1)CCCN([C@H](C)C(=O)N(C)C)C2 ZINC000981894021 751244232 /nfs/dbraw/zinc/24/42/32/751244232.db2.gz XDYSVZCEAFONOV-OAHLLOKOSA-N 1 3 347.463 0.593 20 0 ECADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001006347744 751272361 /nfs/dbraw/zinc/27/23/61/751272361.db2.gz XUWROQGCINRXBM-XJKSGUPXSA-N 1 3 336.480 0.386 20 0 ECADHO C[NH+](C)CCCCC(=O)N1CC(n2cc(CNCC3CC3)nn2)C1 ZINC001105362823 752314841 /nfs/dbraw/zinc/31/48/41/752314841.db2.gz KUFLELGJLWGOOQ-UHFFFAOYSA-N 1 3 334.468 0.893 20 0 ECADHO CN1CCN(c2ccccc2-c2noc([C@H]3C[NH2+]C[C@@H]3N)n2)CC1 ZINC001211755348 752529752 /nfs/dbraw/zinc/52/97/52/752529752.db2.gz INPWCWSOCYAOES-KBPBESRZSA-N 1 3 328.420 0.503 20 0 ECADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O)N1CCCC1 ZINC001021343712 752789168 /nfs/dbraw/zinc/78/91/68/752789168.db2.gz RVLFNAZVZKBGHH-UYTSQGDYSA-N 1 3 348.491 0.861 20 0 ECADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O)N1CCCC1 ZINC001021343712 752789171 /nfs/dbraw/zinc/78/91/71/752789171.db2.gz RVLFNAZVZKBGHH-UYTSQGDYSA-N 1 3 348.491 0.861 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000982544148 752847355 /nfs/dbraw/zinc/84/73/55/752847355.db2.gz BMGRDNIXZGQVFL-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982553994 752882706 /nfs/dbraw/zinc/88/27/06/752882706.db2.gz RCMVYNLZZKESTP-QGWWYQLQSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982553994 752882714 /nfs/dbraw/zinc/88/27/14/752882714.db2.gz RCMVYNLZZKESTP-QGWWYQLQSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989071512 753213136 /nfs/dbraw/zinc/21/31/36/753213136.db2.gz SXDBFQLIUSEIFY-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989071512 753213138 /nfs/dbraw/zinc/21/31/38/753213138.db2.gz SXDBFQLIUSEIFY-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]([NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1)C(N)=O ZINC001105566740 753837694 /nfs/dbraw/zinc/83/76/94/753837694.db2.gz UGUBOZRGSIULCK-ZFWWWQNUSA-N 1 3 347.463 0.967 20 0 ECADHO O=C(C[N@@H+]1CC[C@@H](CNC(=O)c2ccn3cncc3c2)C1)NC1CC1 ZINC001028662207 754398868 /nfs/dbraw/zinc/39/88/68/754398868.db2.gz VBAGOOKDVIAMAV-ZDUSSCGKSA-N 1 3 341.415 0.665 20 0 ECADHO O=C(C[N@H+]1CC[C@@H](CNC(=O)c2ccn3cncc3c2)C1)NC1CC1 ZINC001028662207 754398873 /nfs/dbraw/zinc/39/88/73/754398873.db2.gz VBAGOOKDVIAMAV-ZDUSSCGKSA-N 1 3 341.415 0.665 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC001009123406 754555118 /nfs/dbraw/zinc/55/51/18/754555118.db2.gz YMVLPDINVMVLHA-HHARLNAUSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)CC[N@H+]1C ZINC001009123406 754555121 /nfs/dbraw/zinc/55/51/21/754555121.db2.gz YMVLPDINVMVLHA-HHARLNAUSA-N 1 3 348.491 0.243 20 0 ECADHO CN1CCC[C@@H](N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028777974 755085437 /nfs/dbraw/zinc/08/54/37/755085437.db2.gz ABFMSTNTPFFRQJ-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@H]1N(C(=O)CC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001105660819 755279205 /nfs/dbraw/zinc/27/92/05/755279205.db2.gz YXJMMGJYMSAVBZ-SRABZTEZSA-N 1 3 329.460 0.874 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000983368732 755432360 /nfs/dbraw/zinc/43/23/60/755432360.db2.gz KCIQOEXVJHDWDX-BBRMVZONSA-N 1 3 345.447 0.259 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC2(CCN(CCO)CC2)O1 ZINC001098654319 755537456 /nfs/dbraw/zinc/53/74/56/755537456.db2.gz ACOGGOMBFKHYQB-HNNXBMFYSA-N 1 3 337.464 0.156 20 0 ECADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001010368464 756049886 /nfs/dbraw/zinc/04/98/86/756049886.db2.gz DPEDWZQYGMOPCZ-HOTGVXAUSA-N 1 3 330.432 0.570 20 0 ECADHO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001010368464 756049893 /nfs/dbraw/zinc/04/98/93/756049893.db2.gz DPEDWZQYGMOPCZ-HOTGVXAUSA-N 1 3 330.432 0.570 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076323649 756372860 /nfs/dbraw/zinc/37/28/60/756372860.db2.gz CCIFXRPHRJQOSH-ARFHVFGLSA-N 1 3 334.464 0.140 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1 ZINC001051612406 762467927 /nfs/dbraw/zinc/46/79/27/762467927.db2.gz RKHOSZTXXOYOGS-SJORKVTESA-N 1 3 349.479 0.610 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1 ZINC001051612406 762467931 /nfs/dbraw/zinc/46/79/31/762467931.db2.gz RKHOSZTXXOYOGS-SJORKVTESA-N 1 3 349.479 0.610 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)N(C)C ZINC001011130834 756986665 /nfs/dbraw/zinc/98/66/65/756986665.db2.gz YSUUZQKFQNKWHE-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001011177865 757128614 /nfs/dbraw/zinc/12/86/14/757128614.db2.gz CCAJMWQAMUWAJA-NVXWUHKLSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCn4cccn4)C[C@@H]3C2)CCC1 ZINC001048860307 757205647 /nfs/dbraw/zinc/20/56/47/757205647.db2.gz OXCUNCCNDHJVEY-IYBDPMFKSA-N 1 3 331.464 0.758 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]3C2)CCC1 ZINC001048860307 757205652 /nfs/dbraw/zinc/20/56/52/757205652.db2.gz OXCUNCCNDHJVEY-IYBDPMFKSA-N 1 3 331.464 0.758 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@H]3C2)C1=O ZINC001048862946 757216471 /nfs/dbraw/zinc/21/64/71/757216471.db2.gz BQRUBSQDQNQXKG-VVLHAWIVSA-N 1 3 348.491 0.338 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@H]3C2)C1=O ZINC001048862946 757216479 /nfs/dbraw/zinc/21/64/79/757216479.db2.gz BQRUBSQDQNQXKG-VVLHAWIVSA-N 1 3 348.491 0.338 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996316195 757351318 /nfs/dbraw/zinc/35/13/18/757351318.db2.gz ZHVNDSWIQRKYAR-KSSFIOAISA-N 1 3 348.491 0.672 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)NC2CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000996439258 757601728 /nfs/dbraw/zinc/60/17/28/757601728.db2.gz BLKPMRQBUTYGIF-CQSZACIVSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000996439258 757601733 /nfs/dbraw/zinc/60/17/33/757601733.db2.gz BLKPMRQBUTYGIF-CQSZACIVSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@H]3C2)C1=O ZINC001049059683 757823967 /nfs/dbraw/zinc/82/39/67/757823967.db2.gz ZTXSBJLAGTYNSN-WCXIOVBPSA-N 1 3 348.491 0.339 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@H]3C2)C1=O ZINC001049059683 757823977 /nfs/dbraw/zinc/82/39/77/757823977.db2.gz ZTXSBJLAGTYNSN-WCXIOVBPSA-N 1 3 348.491 0.339 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2C1)N(C)C ZINC001049067341 757863721 /nfs/dbraw/zinc/86/37/21/757863721.db2.gz WZGWWRFHFDINTA-FZKCQIBNSA-N 1 3 346.479 0.496 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2C1)N(C)C ZINC001049067341 757863725 /nfs/dbraw/zinc/86/37/25/757863725.db2.gz WZGWWRFHFDINTA-FZKCQIBNSA-N 1 3 346.479 0.496 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CCO2)cn1 ZINC001051654869 762604474 /nfs/dbraw/zinc/60/44/74/762604474.db2.gz VYSSPWFYWUKSJJ-IRXDYDNUSA-N 1 3 347.463 0.442 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001049172957 758214554 /nfs/dbraw/zinc/21/45/54/758214554.db2.gz BZHPODRUOCXDPB-CALCHBBNSA-N 1 3 343.475 0.715 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022077539 758242684 /nfs/dbraw/zinc/24/26/84/758242684.db2.gz QJHRRJBBYCAQOZ-LVQVYYBASA-N 1 3 346.479 0.909 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001022077539 758242689 /nfs/dbraw/zinc/24/26/89/758242689.db2.gz QJHRRJBBYCAQOZ-LVQVYYBASA-N 1 3 346.479 0.909 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001051660786 762620119 /nfs/dbraw/zinc/62/01/19/762620119.db2.gz DQVGQVHDFYLTLO-DOTOQJQBSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001051660786 762620120 /nfs/dbraw/zinc/62/01/20/762620120.db2.gz DQVGQVHDFYLTLO-DOTOQJQBSA-N 1 3 349.479 0.612 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C)N(C)C ZINC001077151150 758352773 /nfs/dbraw/zinc/35/27/73/758352773.db2.gz GMBXNONHBPKRST-NWANDNLSSA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001077151264 758354829 /nfs/dbraw/zinc/35/48/29/758354829.db2.gz LACHKQZTQTUVMX-NUEKZKHPSA-N 1 3 338.496 0.679 20 0 ECADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)C1=O ZINC000996674084 758420744 /nfs/dbraw/zinc/42/07/44/758420744.db2.gz ZHICFAZQYFGMSA-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996672650 758437363 /nfs/dbraw/zinc/43/73/63/758437363.db2.gz QFWXAKDOBYRMCJ-OAHLLOKOSA-N 1 3 332.448 0.674 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@@H](CNCc2cncn2C)C1)[NH+](C)C ZINC001051667943 762641972 /nfs/dbraw/zinc/64/19/72/762641972.db2.gz ZSKFNOJPYVQADO-HOTGVXAUSA-N 1 3 337.468 0.323 20 0 ECADHO CNC(=O)CN1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439278 758567978 /nfs/dbraw/zinc/56/79/78/758567978.db2.gz URRJSJPYFPCRNI-QGPMSJSTSA-N 1 3 336.480 0.433 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001060320110 762635896 /nfs/dbraw/zinc/63/58/96/762635896.db2.gz LVUKFMWJECUCSN-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671244 762655053 /nfs/dbraw/zinc/65/50/53/762655053.db2.gz FNWATQKLDGJJDX-ZIAGYGMSSA-N 1 3 335.452 0.647 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671244 762655057 /nfs/dbraw/zinc/65/50/57/762655057.db2.gz FNWATQKLDGJJDX-ZIAGYGMSSA-N 1 3 335.452 0.647 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3CCO)n1 ZINC001049483964 758793742 /nfs/dbraw/zinc/79/37/42/758793742.db2.gz DEYGZOAUYIIKBD-JKSUJKDBSA-N 1 3 335.452 0.116 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)C1 ZINC001022716122 759032625 /nfs/dbraw/zinc/03/26/25/759032625.db2.gz QURATMHTQSWYEK-RRQGHBQHSA-N 1 3 344.459 0.864 20 0 ECADHO CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418483 759036551 /nfs/dbraw/zinc/03/65/51/759036551.db2.gz QFOLVQQPVCRFDU-YLADIXGZSA-N 1 3 337.464 0.057 20 0 ECADHO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418483 759036560 /nfs/dbraw/zinc/03/65/60/759036560.db2.gz QFOLVQQPVCRFDU-YLADIXGZSA-N 1 3 337.464 0.057 20 0 ECADHO C[C@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047891025 759661842 /nfs/dbraw/zinc/66/18/42/759661842.db2.gz PNKCMMLKJIREKB-GJZGRUSLSA-N 1 3 346.479 0.770 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001050124446 759755888 /nfs/dbraw/zinc/75/58/88/759755888.db2.gz GCILZJZGEGFXGI-SMLCLMEVSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC001050124446 759755890 /nfs/dbraw/zinc/75/58/90/759755890.db2.gz GCILZJZGEGFXGI-SMLCLMEVSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048007448 759815698 /nfs/dbraw/zinc/81/56/98/759815698.db2.gz MYHVWSVCDKIPGN-JKSUJKDBSA-N 1 3 348.495 0.874 20 0 ECADHO Cn1nnnc1CNC[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001050362363 760182697 /nfs/dbraw/zinc/18/26/97/760182697.db2.gz NFPXYFRLSIYXQF-CTYIDZIISA-N 1 3 349.483 0.317 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2nnnn2C)CC1 ZINC001050364480 760183696 /nfs/dbraw/zinc/18/36/96/760183696.db2.gz AHTOBVADLJKBEO-ZQDZILKHSA-N 1 3 349.483 0.172 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2nnnn2C)CC1 ZINC001050364480 760183700 /nfs/dbraw/zinc/18/37/00/760183700.db2.gz AHTOBVADLJKBEO-ZQDZILKHSA-N 1 3 349.483 0.172 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000911163809 760224606 /nfs/dbraw/zinc/22/46/06/760224606.db2.gz ZJTXFWQUWYZTNA-YJBOKZPZSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CNCc1cn(C)nn1 ZINC001048339478 760336915 /nfs/dbraw/zinc/33/69/15/760336915.db2.gz UQSIHCUFVURDEK-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CN1C(=O)CN1CCCC1 ZINC001012618501 760445925 /nfs/dbraw/zinc/44/59/25/760445925.db2.gz GGWDWXDCNIOBOZ-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001050539989 760457158 /nfs/dbraw/zinc/45/71/58/760457158.db2.gz XOBYTKCVJHRMFN-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001050539989 760457161 /nfs/dbraw/zinc/45/71/61/760457161.db2.gz XOBYTKCVJHRMFN-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050651852 760628803 /nfs/dbraw/zinc/62/88/03/760628803.db2.gz NCMFIWJPUYUQFI-HUUCEWRRSA-N 1 3 338.496 0.761 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995868179 760698770 /nfs/dbraw/zinc/69/87/70/760698770.db2.gz BALOXBPFANJNGT-JKSUJKDBSA-N 1 3 348.495 0.979 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001127067097 760713465 /nfs/dbraw/zinc/71/34/65/760713465.db2.gz WKGMMXPMQMBOHE-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001127067097 760713472 /nfs/dbraw/zinc/71/34/72/760713472.db2.gz WKGMMXPMQMBOHE-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048563282 760724636 /nfs/dbraw/zinc/72/46/36/760724636.db2.gz WHFZLWIYYHDVHS-ARKGTOAJSA-N 1 3 336.480 0.289 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C2 ZINC001048563282 760724641 /nfs/dbraw/zinc/72/46/41/760724641.db2.gz WHFZLWIYYHDVHS-ARKGTOAJSA-N 1 3 336.480 0.289 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048570826 760731911 /nfs/dbraw/zinc/73/19/11/760731911.db2.gz WZIQQSUJMFBGMQ-UUAJXVIYSA-N 1 3 348.491 0.848 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048570826 760731919 /nfs/dbraw/zinc/73/19/19/760731919.db2.gz WZIQQSUJMFBGMQ-UUAJXVIYSA-N 1 3 348.491 0.848 20 0 ECADHO CN(CC(=O)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C(C)(C)C1)C1CCC1 ZINC000995919446 760777178 /nfs/dbraw/zinc/77/71/78/760777178.db2.gz QWHIHPVJHNLMGJ-HUUCEWRRSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753379 760779354 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O=C(N1CCO[C@H](CNCc2cncc(F)c2)C1)C12CC[NH+](CC1)C2 ZINC001051904605 763290636 /nfs/dbraw/zinc/29/06/36/763290636.db2.gz RTIWMIOBCVLKIT-MRXNPFEDSA-N 1 3 348.422 0.634 20 0 ECADHO COc1ccc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051930658 763364482 /nfs/dbraw/zinc/36/44/82/763364482.db2.gz PQSYAWMXWUTQAR-HOTGVXAUSA-N 1 3 348.447 0.359 20 0 ECADHO COc1ccc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051930658 763364490 /nfs/dbraw/zinc/36/44/90/763364490.db2.gz PQSYAWMXWUTQAR-HOTGVXAUSA-N 1 3 348.447 0.359 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCCC[C@@H]2C)CC[N@@H+]1C ZINC001127691053 763544941 /nfs/dbraw/zinc/54/49/41/763544941.db2.gz ZNFFOQRPHDEFMU-HRCADAONSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCCC[C@@H]2C)CC[N@H+]1C ZINC001127691053 763544944 /nfs/dbraw/zinc/54/49/44/763544944.db2.gz ZNFFOQRPHDEFMU-HRCADAONSA-N 1 3 338.496 0.824 20 0 ECADHO Cc1nc(C)n(CCN2CC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001014963157 763557416 /nfs/dbraw/zinc/55/74/16/763557416.db2.gz NTNWBHMDKNZXPM-HZPDHXFCSA-N 1 3 334.468 0.570 20 0 ECADHO Cc1nc(C)n(CCN2CC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001014963157 763557423 /nfs/dbraw/zinc/55/74/23/763557423.db2.gz NTNWBHMDKNZXPM-HZPDHXFCSA-N 1 3 334.468 0.570 20 0 ECADHO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)n1 ZINC001014963157 763557431 /nfs/dbraw/zinc/55/74/31/763557431.db2.gz NTNWBHMDKNZXPM-HZPDHXFCSA-N 1 3 334.468 0.570 20 0 ECADHO Cc1nc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)n1 ZINC001014963157 763557437 /nfs/dbraw/zinc/55/74/37/763557437.db2.gz NTNWBHMDKNZXPM-HZPDHXFCSA-N 1 3 334.468 0.570 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001017586436 768156747 /nfs/dbraw/zinc/15/67/47/768156747.db2.gz GKBYVMZQPAUYCM-UHFFFAOYSA-N 1 3 343.431 0.323 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001060393380 764261063 /nfs/dbraw/zinc/26/10/63/764261063.db2.gz JEAZJKNFCOSIDM-OAHLLOKOSA-N 1 3 349.479 0.957 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001060393380 764261067 /nfs/dbraw/zinc/26/10/67/764261067.db2.gz JEAZJKNFCOSIDM-OAHLLOKOSA-N 1 3 349.479 0.957 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000991895723 764465042 /nfs/dbraw/zinc/46/50/42/764465042.db2.gz SXVWHQMSIRCTOU-BBRMVZONSA-N 1 3 334.464 0.140 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052529944 764699968 /nfs/dbraw/zinc/69/99/68/764699968.db2.gz VJBYYLMKWBRXET-CABCVRRESA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C)C(N)=O ZINC001107028617 764736645 /nfs/dbraw/zinc/73/66/45/764736645.db2.gz FIUFXHBYLXBLBC-JKIFEVAISA-N 1 3 346.475 0.920 20 0 ECADHO CN(C)C(=O)CN1CC[C@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992117322 765543695 /nfs/dbraw/zinc/54/36/95/765543695.db2.gz IXTJFXQBDCIBJD-HDMKZQKVSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C(=O)CN1CC[C@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992117322 765543697 /nfs/dbraw/zinc/54/36/97/765543697.db2.gz IXTJFXQBDCIBJD-HDMKZQKVSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)CN2CCCC2)CC1 ZINC001017736820 768335795 /nfs/dbraw/zinc/33/57/95/768335795.db2.gz IZVGRSUMIDDCKI-DOTOQJQBSA-N 1 3 348.491 0.555 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)CN2CCCC2)CC1 ZINC001017736820 768335801 /nfs/dbraw/zinc/33/58/01/768335801.db2.gz IZVGRSUMIDDCKI-DOTOQJQBSA-N 1 3 348.491 0.555 20 0 ECADHO CN1CC[C@H](NCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1=O ZINC001127344115 768335861 /nfs/dbraw/zinc/33/58/61/768335861.db2.gz GAJDRXMOISKOJF-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CC[C@H](NCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1=O ZINC001127344115 768335869 /nfs/dbraw/zinc/33/58/69/768335869.db2.gz GAJDRXMOISKOJF-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001017738788 768337722 /nfs/dbraw/zinc/33/77/22/768337722.db2.gz WSUBVZDKFHDFKR-XJKSGUPXSA-N 1 3 345.447 0.425 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001017738788 768337730 /nfs/dbraw/zinc/33/77/30/768337730.db2.gz WSUBVZDKFHDFKR-XJKSGUPXSA-N 1 3 345.447 0.425 20 0 ECADHO CCn1nncc1CN[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001054854295 768340273 /nfs/dbraw/zinc/34/02/73/768340273.db2.gz RLVYPWXBJDVMCV-ZBFHGGJFSA-N 1 3 346.479 0.863 20 0 ECADHO CC[C@H](C(=O)N1CCN([C@H]2CC[N@H+](CCOC)C2)CC1)N(C)C ZINC001046037893 766737153 /nfs/dbraw/zinc/73/71/53/766737153.db2.gz BHRNONWSCKWNFM-JKSUJKDBSA-N 1 3 326.485 0.192 20 0 ECADHO CC[C@H](C(=O)N1CCN([C@H]2CC[N@@H+](CCOC)C2)CC1)N(C)C ZINC001046037893 766737157 /nfs/dbraw/zinc/73/71/57/766737157.db2.gz BHRNONWSCKWNFM-JKSUJKDBSA-N 1 3 326.485 0.192 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000994841303 766926825 /nfs/dbraw/zinc/92/68/25/766926825.db2.gz BBFLOJMPQLYMSM-OAHLLOKOSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCn2cncn2)CC3)C1 ZINC001016830098 767006562 /nfs/dbraw/zinc/00/65/62/767006562.db2.gz PPGAGXNLNGBRLG-HOTGVXAUSA-N 1 3 346.479 0.591 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106909090 767116382 /nfs/dbraw/zinc/11/63/82/767116382.db2.gz DRUNLBUCAUKIHP-ZIAGYGMSSA-N 1 3 333.498 0.057 20 0 ECADHO C[C@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN(CCn2cccn2)C1 ZINC001046317357 767144722 /nfs/dbraw/zinc/14/47/22/767144722.db2.gz GXCOXFHOZRCMDR-WMZOPIPTSA-N 1 3 331.464 0.806 20 0 ECADHO Cn1cc(CCN2CC[C@@](C)(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001046319834 767145892 /nfs/dbraw/zinc/14/58/92/767145892.db2.gz XGZWCJJSMAHEMX-PKOBYXMFSA-N 1 3 345.491 0.885 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@@]2(C)CCN(CCCF)C2)n1 ZINC001046324761 767149342 /nfs/dbraw/zinc/14/93/42/767149342.db2.gz ACBXAPWOGPDQJM-INIZCTEOSA-N 1 3 325.432 0.999 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)[C@H](C)C1 ZINC001106910711 767151111 /nfs/dbraw/zinc/15/11/11/767151111.db2.gz LARKRJAGLCJQTH-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO Cn1cc(CCN2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001046589302 767340708 /nfs/dbraw/zinc/34/07/08/767340708.db2.gz ZZPLOJIAKCIRMB-SFHVURJKSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1cc(CCN2CC3(C2)C[C@@H](NC(=O)C[NH+]2CCCC2)CO3)cn1 ZINC001054009049 767587821 /nfs/dbraw/zinc/58/78/21/767587821.db2.gz NTTMBLQDPJKFDE-MRXNPFEDSA-N 1 3 347.463 0.018 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001106666791 768579642 /nfs/dbraw/zinc/57/96/42/768579642.db2.gz VUIKSEZDMFUCRZ-RBSFLKMASA-N 1 3 336.480 0.291 20 0 ECADHO CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673615 768584719 /nfs/dbraw/zinc/58/47/19/768584719.db2.gz IVAYDEVRPIKXQO-OAGGEKHMSA-N 1 3 340.512 0.927 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1)N(C)C ZINC001106673081 768588032 /nfs/dbraw/zinc/58/80/32/768588032.db2.gz BCMIESLFUDDHMV-OAGGEKHMSA-N 1 3 340.512 0.878 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106704875 768693199 /nfs/dbraw/zinc/69/31/99/768693199.db2.gz GUJLJZASPAOLRG-CHWSQXEVSA-N 1 3 342.465 0.071 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)n1 ZINC001106705205 768693984 /nfs/dbraw/zinc/69/39/84/768693984.db2.gz WPPOWDAPZPUNLB-IUODEOHRSA-N 1 3 345.451 0.545 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000993808423 769655569 /nfs/dbraw/zinc/65/55/69/769655569.db2.gz SBTRGDBAHSFTKR-JKSUJKDBSA-N 1 3 338.496 0.774 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000993808423 769655570 /nfs/dbraw/zinc/65/55/70/769655570.db2.gz SBTRGDBAHSFTKR-JKSUJKDBSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000993933342 769850015 /nfs/dbraw/zinc/85/00/15/769850015.db2.gz SUKZGAAOPPPKJC-ZDUSSCGKSA-N 1 3 333.436 0.257 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000993933342 769850028 /nfs/dbraw/zinc/85/00/28/769850028.db2.gz SUKZGAAOPPPKJC-ZDUSSCGKSA-N 1 3 333.436 0.257 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC001018963203 770412052 /nfs/dbraw/zinc/41/20/52/770412052.db2.gz DDRNVJIBIYSPQJ-KBPBESRZSA-N 1 3 343.493 0.096 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001018966414 770421449 /nfs/dbraw/zinc/42/14/49/770421449.db2.gz HZUNGGRZDSSDDS-HOCLYGCPSA-N 1 3 334.468 0.637 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCn1cccn1 ZINC000994250817 770432926 /nfs/dbraw/zinc/43/29/26/770432926.db2.gz JGCFWWBEWIHXHW-HZPDHXFCSA-N 1 3 331.464 0.948 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083749703 770563593 /nfs/dbraw/zinc/56/35/93/770563593.db2.gz NFJGYIZYAPQCNB-ZACQAIPSSA-N 1 3 339.480 0.449 20 0 ECADHO CC[C@@H](C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1)N(C)C ZINC001019038421 770628232 /nfs/dbraw/zinc/62/82/32/770628232.db2.gz RFVLZHIQQHTVRZ-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@@H](C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1)N(C)C ZINC001019038421 770628239 /nfs/dbraw/zinc/62/82/39/770628239.db2.gz RFVLZHIQQHTVRZ-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)CN3CCCC3)C2)C1 ZINC001019040603 770638507 /nfs/dbraw/zinc/63/85/07/770638507.db2.gz HQQYLLLTRMUPNF-INIZCTEOSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC2(CN(C(=O)CN3CCCC3)C2)C1 ZINC001019040603 770638514 /nfs/dbraw/zinc/63/85/14/770638514.db2.gz HQQYLLLTRMUPNF-INIZCTEOSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCc3ccnn3C)C2)CC[N@@H+]1C ZINC001078405350 782884121 /nfs/dbraw/zinc/88/41/21/782884121.db2.gz LABATSMOSYOBPD-HYVNUMGLSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCc3ccnn3C)C2)CC[N@H+]1C ZINC001078405350 782884131 /nfs/dbraw/zinc/88/41/31/782884131.db2.gz LABATSMOSYOBPD-HYVNUMGLSA-N 1 3 349.479 0.467 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NCc3n[nH]c(C)n3)C2)C1 ZINC001019274852 771086988 /nfs/dbraw/zinc/08/69/88/771086988.db2.gz RQZRRDMCCIIZHM-GJZGRUSLSA-N 1 3 334.468 0.926 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NCc3n[nH]c(C)n3)C2)C1 ZINC001019274852 771086995 /nfs/dbraw/zinc/08/69/95/771086995.db2.gz RQZRRDMCCIIZHM-GJZGRUSLSA-N 1 3 334.468 0.926 20 0 ECADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC001019290277 771109273 /nfs/dbraw/zinc/10/92/73/771109273.db2.gz YWWYSBJWUNQFOE-VGWMRTNUSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001019290277 771109274 /nfs/dbraw/zinc/10/92/74/771109274.db2.gz YWWYSBJWUNQFOE-VGWMRTNUSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC1CCCC1 ZINC001127466648 771285226 /nfs/dbraw/zinc/28/52/26/771285226.db2.gz XRLSSGLFJGADRX-CZUORRHYSA-N 1 3 336.480 0.481 20 0 ECADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001127473656 771303053 /nfs/dbraw/zinc/30/30/53/771303053.db2.gz BMNLAXAFSIEEIY-ZBFHGGJFSA-N 1 3 336.480 0.293 20 0 ECADHO CC(C)N(C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001127475138 771305767 /nfs/dbraw/zinc/30/57/67/771305767.db2.gz RIWUHXZWUYWPAC-MRXNPFEDSA-N 1 3 338.496 0.679 20 0 ECADHO Cn1ccnc1CNC[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001078420145 782916183 /nfs/dbraw/zinc/91/61/83/782916183.db2.gz HADGTXATBZIDOJ-HOTGVXAUSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1ccnc1CNC[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC001078420145 782916187 /nfs/dbraw/zinc/91/61/87/782916187.db2.gz HADGTXATBZIDOJ-HOTGVXAUSA-N 1 3 349.479 0.612 20 0 ECADHO C[C@@H](C(N)=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540259 771423156 /nfs/dbraw/zinc/42/31/56/771423156.db2.gz SZGYOJKKZKTWJO-KBPBESRZSA-N 1 3 336.480 0.563 20 0 ECADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N1CCCCC1 ZINC001020152340 772222060 /nfs/dbraw/zinc/22/20/60/772222060.db2.gz GWDOUJQPBTZAAU-RBSFLKMASA-N 1 3 336.480 0.766 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)o1 ZINC001020178822 772248935 /nfs/dbraw/zinc/24/89/35/772248935.db2.gz GBAWLDGVIRMZMO-ANQUJSFKSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)o1 ZINC001020178822 772248936 /nfs/dbraw/zinc/24/89/36/772248936.db2.gz GBAWLDGVIRMZMO-ANQUJSFKSA-N 1 3 348.447 0.891 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020238965 772334211 /nfs/dbraw/zinc/33/42/11/772334211.db2.gz JMEFOHLJNNETQD-KKUMJFAQSA-N 1 3 334.468 0.815 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020238965 772334216 /nfs/dbraw/zinc/33/42/16/772334216.db2.gz JMEFOHLJNNETQD-KKUMJFAQSA-N 1 3 334.468 0.815 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001078468939 783008351 /nfs/dbraw/zinc/00/83/51/783008351.db2.gz SDIHTXRVRPJLOT-RDJZCZTQSA-N 1 3 349.479 0.469 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H]1C)N(C)C ZINC001020368616 772500964 /nfs/dbraw/zinc/50/09/64/772500964.db2.gz SHVHKCWRLJGGCM-DGADGQDISA-N 1 3 338.496 0.772 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H]1C)N(C)C ZINC001020368616 772500968 /nfs/dbraw/zinc/50/09/68/772500968.db2.gz SHVHKCWRLJGGCM-DGADGQDISA-N 1 3 338.496 0.772 20 0 ECADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)NC(=O)CCC[NH+](C)C ZINC001078473260 783019911 /nfs/dbraw/zinc/01/99/11/783019911.db2.gz VLRBLIAMNBBFBT-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO COc1coc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1=O ZINC001044958800 774767495 /nfs/dbraw/zinc/76/74/95/774767495.db2.gz SZNNGGDHRZXLBT-ZFWWWQNUSA-N 1 3 349.431 0.823 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001045067524 774925502 /nfs/dbraw/zinc/92/55/02/774925502.db2.gz OKNIXLVZWWOJDB-GOEBONIOSA-N 1 3 334.468 0.719 20 0 ECADHO CC1(NC(=O)C23CC[NH+](CC2)C3)CCN(CCN2CCCC2=O)CC1 ZINC001045621703 775905965 /nfs/dbraw/zinc/90/59/65/775905965.db2.gz PWVPFKFQFJSUQH-UHFFFAOYSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN(C)C1CCC1 ZINC001044629264 776541867 /nfs/dbraw/zinc/54/18/67/776541867.db2.gz KZCDHGVMUUNZDA-CABCVRRESA-N 1 3 334.468 0.732 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070075717 790519618 /nfs/dbraw/zinc/51/96/18/790519618.db2.gz BFDWSJHNBYKPFX-XHSDSOJGSA-N 1 3 334.468 0.617 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070075717 790519623 /nfs/dbraw/zinc/51/96/23/790519623.db2.gz BFDWSJHNBYKPFX-XHSDSOJGSA-N 1 3 334.468 0.617 20 0 ECADHO CCCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077377 790527164 /nfs/dbraw/zinc/52/71/64/790527164.db2.gz DDNYCLYXOURRRE-CABCVRRESA-N 1 3 332.452 0.516 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001080144327 777461781 /nfs/dbraw/zinc/46/17/81/777461781.db2.gz WXXINXNXTOBHLS-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080557645 778024451 /nfs/dbraw/zinc/02/44/51/778024451.db2.gz BOMWVFQBISJMMB-HOCLYGCPSA-N 1 3 338.496 0.584 20 0 ECADHO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080557645 778024463 /nfs/dbraw/zinc/02/44/63/778024463.db2.gz BOMWVFQBISJMMB-HOCLYGCPSA-N 1 3 338.496 0.584 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N(C)C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001043629560 778625284 /nfs/dbraw/zinc/62/52/84/778625284.db2.gz RFDMNSCVUPWMBJ-HOCLYGCPSA-N 1 3 325.453 0.275 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N(C)C2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001043629940 778626847 /nfs/dbraw/zinc/62/68/47/778626847.db2.gz WBBIFCSEVYEOBN-RDJZCZTQSA-N 1 3 339.480 0.665 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001078478554 779945642 /nfs/dbraw/zinc/94/56/42/779945642.db2.gz ICKDDHSDTHLHQH-GOEBONIOSA-N 1 3 336.436 0.586 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@@H]2CCNC2=O)CC3)CC[N@@H+]1C ZINC001040708639 783307641 /nfs/dbraw/zinc/30/76/41/783307641.db2.gz VWRMIAWIZLVMOW-BZUAXINKSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@@H]2CCNC2=O)CC3)CC[N@H+]1C ZINC001040708639 783307649 /nfs/dbraw/zinc/30/76/49/783307649.db2.gz VWRMIAWIZLVMOW-BZUAXINKSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CCn1cncn1)CC2)N(C)C ZINC001040746368 783362980 /nfs/dbraw/zinc/36/29/80/783362980.db2.gz ZLLUXIWIAMSYPD-MRXNPFEDSA-N 1 3 348.495 0.933 20 0 ECADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001037931773 783710027 /nfs/dbraw/zinc/71/00/27/783710027.db2.gz GMYPEMUPDJSOJS-ZFWWWQNUSA-N 1 3 331.424 0.461 20 0 ECADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCN1CCCC1=O ZINC001037937214 783713855 /nfs/dbraw/zinc/71/38/55/783713855.db2.gz YOJJCLBSDFBZNQ-HOCLYGCPSA-N 1 3 347.463 0.791 20 0 ECADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCN1CCCC1=O ZINC001037937212 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ZINC001072743088 788694465 /nfs/dbraw/zinc/69/44/65/788694465.db2.gz ZKAXAYFHTWUCND-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075106623 788914159 /nfs/dbraw/zinc/91/41/59/788914159.db2.gz FXAGCWOXKKNXOB-KKUMJFAQSA-N 1 3 334.468 0.637 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075106623 788914170 /nfs/dbraw/zinc/91/41/70/788914170.db2.gz FXAGCWOXKKNXOB-KKUMJFAQSA-N 1 3 334.468 0.637 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCc3ncnn31)C2)N(C)C ZINC001072851366 788962673 /nfs/dbraw/zinc/96/26/73/788962673.db2.gz SKSXPIKWESWEHJ-HUUCEWRRSA-N 1 3 346.479 0.640 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCc3ncnn31)C2)N(C)C ZINC001072851366 788962678 /nfs/dbraw/zinc/96/26/78/788962678.db2.gz SKSXPIKWESWEHJ-HUUCEWRRSA-N 1 3 346.479 0.640 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+][C@@H]1CCCNC1=O ZINC001075170489 789019852 /nfs/dbraw/zinc/01/98/52/789019852.db2.gz WCRIMPCYPOVKJQ-SUYBPPKGSA-N 1 3 333.436 0.305 20 0 ECADHO O=C(c1ccn2c[nH+]cc2c1)N1CC2(C1)CCN([C@H]1CCNC1=O)C2 ZINC001072898118 789063143 /nfs/dbraw/zinc/06/31/43/789063143.db2.gz KBXQDDBRAKMXKU-HNNXBMFYSA-N 1 3 339.399 0.371 20 0 ECADHO CC[C@H](C(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001073125035 789481875 /nfs/dbraw/zinc/48/18/75/789481875.db2.gz KEPVAECACLIWSC-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001073127957 789489307 /nfs/dbraw/zinc/48/93/07/789489307.db2.gz MBMCSKRAHNBEST-MRXNPFEDSA-N 1 3 348.491 0.485 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001073127957 789489311 /nfs/dbraw/zinc/48/93/11/789489311.db2.gz MBMCSKRAHNBEST-MRXNPFEDSA-N 1 3 348.491 0.485 20 0 ECADHO CC[N@H+](C)CCC(=O)NC1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001073183796 789587938 /nfs/dbraw/zinc/58/79/38/789587938.db2.gz UBWLGCKQLBSNGI-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001073183796 789587946 /nfs/dbraw/zinc/58/79/46/789587946.db2.gz UBWLGCKQLBSNGI-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CN(CCNCc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267468650 837481186 /nfs/dbraw/zinc/48/11/86/837481186.db2.gz ANIIWGKQQJGDHB-OAHLLOKOSA-N 1 3 333.432 0.958 20 0 ECADHO CN(CCNCc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267468650 837481188 /nfs/dbraw/zinc/48/11/88/837481188.db2.gz ANIIWGKQQJGDHB-OAHLLOKOSA-N 1 3 333.432 0.958 20 0 ECADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1)N(C)C ZINC001266622781 836060493 /nfs/dbraw/zinc/06/04/93/836060493.db2.gz RVHQIGSOMCMQKK-IHRRRGAJSA-N 1 3 341.500 0.661 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001266877233 836422721 /nfs/dbraw/zinc/42/27/21/836422721.db2.gz JEDGLQVOPRVYAK-INIZCTEOSA-N 1 3 347.463 0.935 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC001267026737 836646006 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O=C(C[C@H]1CC[NH2+]C1)NCCCN1CCN(c2ccncc2)CC1 ZINC000427270459 210188197 /nfs/dbraw/zinc/18/81/97/210188197.db2.gz UQUXPXWICIQTBK-MRXNPFEDSA-N 1 3 331.464 0.710 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000354713953 299104984 /nfs/dbraw/zinc/10/49/84/299104984.db2.gz NVIDKDRMIDNNLU-IAGOWNOFSA-N 1 3 344.459 0.635 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354756805 299117475 /nfs/dbraw/zinc/11/74/75/299117475.db2.gz BKWHMMXCIQSCQM-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1(N(C)C)CCC1)C[NH+]1CCCCC1 ZINC000354791335 299128582 /nfs/dbraw/zinc/12/85/82/299128582.db2.gz NFMOTIBOXMGZIK-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423169226 209708425 /nfs/dbraw/zinc/70/84/25/209708425.db2.gz VSNVEJZAOVVNCZ-MRXNPFEDSA-N 1 3 347.463 0.312 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000355283562 299230388 /nfs/dbraw/zinc/23/03/88/299230388.db2.gz UIAWEVAOKLYHAJ-RBSFLKMASA-N 1 3 326.485 0.822 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000355302331 299235534 /nfs/dbraw/zinc/23/55/34/299235534.db2.gz FEQAIAWGNPZLSI-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000418261192 295958548 /nfs/dbraw/zinc/95/85/48/295958548.db2.gz PTRNABJCCHRWCE-QWRGUYRKSA-N 1 3 325.379 0.072 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420431621 209365260 /nfs/dbraw/zinc/36/52/60/209365260.db2.gz GBPSFEUXHGWLBV-RISCZKNCSA-N 1 3 343.497 0.480 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420166384 209328220 /nfs/dbraw/zinc/32/82/20/209328220.db2.gz HYZQMKKZBDBSGQ-CABCVRRESA-N 1 3 338.496 0.822 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000420135874 209317121 /nfs/dbraw/zinc/31/71/21/209317121.db2.gz CJKWZHNXNOWNJI-CABCVRRESA-N 1 3 326.485 0.953 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000420135874 209317123 /nfs/dbraw/zinc/31/71/23/209317123.db2.gz CJKWZHNXNOWNJI-CABCVRRESA-N 1 3 326.485 0.953 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000420097928 209304142 /nfs/dbraw/zinc/30/41/42/209304142.db2.gz CSZHPGGUKDLZOF-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC2([NH3+])CCC2)o1 ZINC000420096910 209304853 /nfs/dbraw/zinc/30/48/53/209304853.db2.gz VCEYKSANQACFNX-UHFFFAOYSA-N 1 3 336.436 0.476 20 0 ECADHO NC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000420077792 209299785 /nfs/dbraw/zinc/29/97/85/209299785.db2.gz YOKFYCUUJUPBLE-GOEBONIOSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000420033729 209284177 /nfs/dbraw/zinc/28/41/77/209284177.db2.gz WVAHZWPAPROPHE-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000420033729 209284180 /nfs/dbraw/zinc/28/41/80/209284180.db2.gz WVAHZWPAPROPHE-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000419985261 209270051 /nfs/dbraw/zinc/27/00/51/209270051.db2.gz APKQPTKNAFDPSE-ZDUSSCGKSA-N 1 3 338.427 0.569 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419972167 209265264 /nfs/dbraw/zinc/26/52/64/209265264.db2.gz YFMUCAPHGVZKDF-INIZCTEOSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NCCCC[NH3+] ZINC000419835328 209218046 /nfs/dbraw/zinc/21/80/46/209218046.db2.gz VMSPDDFZSCFHCW-UHFFFAOYSA-N 1 3 326.485 0.812 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCCC[NH3+])c1 ZINC000419831441 209215741 /nfs/dbraw/zinc/21/57/41/209215741.db2.gz MEFKVEUQMYYCNI-UHFFFAOYSA-N 1 3 334.464 0.740 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000418832142 291381159 /nfs/dbraw/zinc/38/11/59/291381159.db2.gz YZYNOWQVITXOTQ-VQIMIIECSA-N 1 3 344.459 0.717 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000419778284 209202794 /nfs/dbraw/zinc/20/27/94/209202794.db2.gz OMMWFWAPOPSHDE-LSDHHAIUSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C(=O)NCCC[NH3+])CC1 ZINC000419737436 209193028 /nfs/dbraw/zinc/19/30/28/209193028.db2.gz YCUQUZZZINAGEZ-AWEZNQCLSA-N 1 3 332.448 0.793 20 0 ECADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419722534 209188343 /nfs/dbraw/zinc/18/83/43/209188343.db2.gz DQUIDNQIVOXSMN-GOEBONIOSA-N 1 3 344.459 0.888 20 0 ECADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419722536 209187581 /nfs/dbraw/zinc/18/75/81/209187581.db2.gz DQUIDNQIVOXSMN-HOCLYGCPSA-N 1 3 344.459 0.888 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)NC[C@@H]2C)CC1=O ZINC000356370722 299382339 /nfs/dbraw/zinc/38/23/39/299382339.db2.gz OIDCKUBWULMWRX-QKPAOTATSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)NC[C@@H]2C)CC1=O ZINC000356370722 299382342 /nfs/dbraw/zinc/38/23/42/299382342.db2.gz OIDCKUBWULMWRX-QKPAOTATSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419705443 209180739 /nfs/dbraw/zinc/18/07/39/209180739.db2.gz ZOZQUQTUULWRTP-JKSUJKDBSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CCN1CCCC1)[NH+]1CCC(C)CC1 ZINC000356443084 299389618 /nfs/dbraw/zinc/38/96/18/299389618.db2.gz CUEXODFCDPKLKE-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3(N)CC3)c2)C1 ZINC000262707832 245132098 /nfs/dbraw/zinc/13/20/98/245132098.db2.gz NLZATTLAECOSIM-HNNXBMFYSA-N 1 3 330.432 0.491 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C3(N)CC3)c2)C1 ZINC000262707832 245132102 /nfs/dbraw/zinc/13/21/02/245132102.db2.gz NLZATTLAECOSIM-HNNXBMFYSA-N 1 3 330.432 0.491 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419703881 209178255 /nfs/dbraw/zinc/17/82/55/209178255.db2.gz XCUSSFSHQJYCHP-YJBOKZPZSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000419697222 209176032 /nfs/dbraw/zinc/17/60/32/209176032.db2.gz QJLPHXRHZGCJGT-UKRRQHHQSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419693060 209173831 /nfs/dbraw/zinc/17/38/31/209173831.db2.gz HZGBYBKFXANYNM-RRFJBIMHSA-N 1 3 336.480 0.705 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000419691133 209173127 /nfs/dbraw/zinc/17/31/27/209173127.db2.gz DJBJOXHKWFRFJV-ZBFHGGJFSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000419664701 209164592 /nfs/dbraw/zinc/16/45/92/209164592.db2.gz MULHIBJARQOTIX-MRXNPFEDSA-N 1 3 347.463 0.514 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419666032 209163920 /nfs/dbraw/zinc/16/39/20/209163920.db2.gz VNLMWQLUWNTFIE-HOCLYGCPSA-N 1 3 332.448 0.491 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419643733 209155267 /nfs/dbraw/zinc/15/52/67/209155267.db2.gz NMZODNZBZPBOMJ-SJORKVTESA-N 1 3 344.459 0.432 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000419643786 209154851 /nfs/dbraw/zinc/15/48/51/209154851.db2.gz NSZOKBGGIPQEHY-SFHVURJKSA-N 1 3 332.448 0.562 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000419626965 209149284 /nfs/dbraw/zinc/14/92/84/209149284.db2.gz DEIHWDKMQNHFGI-HNNXBMFYSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000419585912 209132858 /nfs/dbraw/zinc/13/28/58/209132858.db2.gz NMVFGUVGGNCCQF-LRDDRELGSA-N 1 3 342.509 0.126 20 0 ECADHO CNS(=O)(=O)CCCN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000111216101 220112254 /nfs/dbraw/zinc/11/22/54/220112254.db2.gz IXFYQNAJGMPCLU-GASCZTMLSA-N 1 3 347.525 0.747 20 0 ECADHO CNS(=O)(=O)CCCN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000111216101 220112256 /nfs/dbraw/zinc/11/22/56/220112256.db2.gz IXFYQNAJGMPCLU-GASCZTMLSA-N 1 3 347.525 0.747 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NC2CCC([NH3+])CC2)CC1=O ZINC000247325056 205280114 /nfs/dbraw/zinc/28/01/14/205280114.db2.gz TWEDGRQPZSMTEY-LBDPXKHJSA-N 1 3 336.480 0.705 20 0 ECADHO CC1[C@@H](C(=O)NCCN(C)C2CC2)[C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000449819170 211298971 /nfs/dbraw/zinc/29/89/71/211298971.db2.gz PCVBRIKLOOFYDR-HZPDHXFCSA-N 1 3 336.480 0.289 20 0 ECADHO CC1[C@@H](C(=O)NCCN(C)C2CC2)[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000449819170 211298974 /nfs/dbraw/zinc/29/89/74/211298974.db2.gz PCVBRIKLOOFYDR-HZPDHXFCSA-N 1 3 336.480 0.289 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000420081574 209299653 /nfs/dbraw/zinc/29/96/53/209299653.db2.gz NKUIKRAXOAKBKI-OKILXGFUSA-N 1 3 326.485 0.999 20 0 ECADHO O=C([C@H]1CC[NH2+]1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000444272187 211064733 /nfs/dbraw/zinc/06/47/33/211064733.db2.gz WIXMBETXLNQSFY-IAGOWNOFSA-N 1 3 343.475 0.804 20 0 ECADHO C[C@@H](C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1)C1C[NH2+]C1 ZINC000357249310 299547325 /nfs/dbraw/zinc/54/73/25/299547325.db2.gz RSWSGCHXFYJHHK-CYBMUJFWSA-N 1 3 332.448 0.450 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410911345 208021039 /nfs/dbraw/zinc/02/10/39/208021039.db2.gz QHFSMEWHVDTPJI-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H](CO)[C@H]1CCCOC1)c1ccccc1 ZINC000411985798 208184021 /nfs/dbraw/zinc/18/40/21/208184021.db2.gz JHRPPLDZEBZYLK-OKZBNKHCSA-N 1 3 349.475 0.783 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[C@@H]1CN ZINC000423742039 296364504 /nfs/dbraw/zinc/36/45/04/296364504.db2.gz UCYPNOUYAGVOCX-QKPAOTATSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[C@@H]1CN ZINC000423742039 296364506 /nfs/dbraw/zinc/36/45/06/296364506.db2.gz UCYPNOUYAGVOCX-QKPAOTATSA-N 1 3 336.480 0.515 20 0 ECADHO NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430617034 210390309 /nfs/dbraw/zinc/39/03/09/210390309.db2.gz JMGAJESHMRLYQM-UHFFFAOYSA-N 1 3 332.448 0.561 20 0 ECADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430606773 210388693 /nfs/dbraw/zinc/38/86/93/210388693.db2.gz WJOXFFIUXPIMJT-QXSJWSMHSA-N 1 3 338.496 0.666 20 0 ECADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000430692344 210397505 /nfs/dbraw/zinc/39/75/05/210397505.db2.gz RGDZKPJUHIAUJK-HNNXBMFYSA-N 1 3 330.432 0.932 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CNCCO2)[C@H](C)C1 ZINC000430708832 210396676 /nfs/dbraw/zinc/39/66/76/210396676.db2.gz VBOQWPNLMRLHHC-OAGGEKHMSA-N 1 3 327.469 0.618 20 0 ECADHO COC1CC[NH+](C(C)(C)CNC(=O)CNC[C@H]2CCCO2)CC1 ZINC000430708725 210396654 /nfs/dbraw/zinc/39/66/54/210396654.db2.gz KNEHYGHBUULIGZ-OAHLLOKOSA-N 1 3 327.469 0.761 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CNCCO2)[C@H](C)C1 ZINC000430708832 210396673 /nfs/dbraw/zinc/39/66/73/210396673.db2.gz VBOQWPNLMRLHHC-OAGGEKHMSA-N 1 3 327.469 0.618 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000418998472 208935939 /nfs/dbraw/zinc/93/59/39/208935939.db2.gz MLOOYVOZMWSUNS-INIZCTEOSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCCCN(C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419000338 208937631 /nfs/dbraw/zinc/93/76/31/208937631.db2.gz OFAKSBXSXQHFRN-NVXWUHKLSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000419157502 209006042 /nfs/dbraw/zinc/00/60/42/209006042.db2.gz LFRCJAHFHMDGFT-BZUAXINKSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000419167308 209009392 /nfs/dbraw/zinc/00/93/92/209009392.db2.gz IJYVGUJASCXAGU-HUUCEWRRSA-N 1 3 338.496 0.809 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419174203 209012182 /nfs/dbraw/zinc/01/21/82/209012182.db2.gz VAPSGBMQOOBABX-INIZCTEOSA-N 1 3 336.480 0.793 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CC1 ZINC000419185867 209016881 /nfs/dbraw/zinc/01/68/81/209016881.db2.gz PMEWNMWRILHXDO-HOTGVXAUSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000419185867 209016883 /nfs/dbraw/zinc/01/68/83/209016883.db2.gz PMEWNMWRILHXDO-HOTGVXAUSA-N 1 3 336.480 0.753 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000419203061 209022209 /nfs/dbraw/zinc/02/22/09/209022209.db2.gz HKDXTFWDOTUZSI-OAHLLOKOSA-N 1 3 348.447 0.111 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000419224528 209032379 /nfs/dbraw/zinc/03/23/79/209032379.db2.gz ZRNYOHNPTHVKRP-HNNXBMFYSA-N 1 3 348.447 0.064 20 0 ECADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419232008 209035382 /nfs/dbraw/zinc/03/53/82/209035382.db2.gz TVTBYPYQDIHCDA-TVXGVJEUSA-N 1 3 348.491 0.766 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000419368061 209071809 /nfs/dbraw/zinc/07/18/09/209071809.db2.gz FDDPZGNCHVMSOJ-IAGOWNOFSA-N 1 3 346.475 0.534 20 0 ECADHO CCc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)[nH]c(C)c1C(N)=O ZINC000120871533 296646029 /nfs/dbraw/zinc/64/60/29/296646029.db2.gz VZTBPLUAXOXLMX-UHFFFAOYSA-N 1 3 337.468 0.550 20 0 ECADHO Cc1cscc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130561170 296664942 /nfs/dbraw/zinc/66/49/42/296664942.db2.gz JQVGZOZXFXKKLF-UHFFFAOYSA-N 1 3 326.466 0.947 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000249402230 165197880 /nfs/dbraw/zinc/19/78/80/165197880.db2.gz CGPMREDIADDJJF-ILXRZTDVSA-N 1 3 342.484 0.947 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(CC[NH3+])CCc2ccccc2)CC1=O ZINC000261741582 165236527 /nfs/dbraw/zinc/23/65/27/165236527.db2.gz NXWKEBPFEPNBHX-QGZVFWFLSA-N 1 3 346.475 0.427 20 0 ECADHO CN(C)CCn1ccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000262706798 165376945 /nfs/dbraw/zinc/37/69/45/165376945.db2.gz BSAJHYDLEWAEBT-CYBMUJFWSA-N 1 3 331.424 0.818 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000419383325 209074990 /nfs/dbraw/zinc/07/49/90/209074990.db2.gz ZYSJQOPZBYISDM-HOTGVXAUSA-N 1 3 340.512 0.959 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419409269 209086048 /nfs/dbraw/zinc/08/60/48/209086048.db2.gz MWQIJGUXIBPTMN-INIZCTEOSA-N 1 3 332.448 0.651 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H]1CN ZINC000419830463 287325752 /nfs/dbraw/zinc/32/57/52/287325752.db2.gz WFZJPHSZQCFKKK-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000419413996 209086612 /nfs/dbraw/zinc/08/66/12/209086612.db2.gz DRUBUQKDUBZGEN-IAGOWNOFSA-N 1 3 344.459 0.889 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000167211909 226184437 /nfs/dbraw/zinc/18/44/37/226184437.db2.gz YGPHGLMBNKGFIE-DLBZAZTESA-N 1 3 346.475 0.615 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000167211909 226184440 /nfs/dbraw/zinc/18/44/40/226184440.db2.gz YGPHGLMBNKGFIE-DLBZAZTESA-N 1 3 346.475 0.615 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000174734598 263150529 /nfs/dbraw/zinc/15/05/29/263150529.db2.gz KRUCLTNUPZHTQY-HUUCEWRRSA-N 1 3 325.501 0.652 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000174734598 263150530 /nfs/dbraw/zinc/15/05/30/263150530.db2.gz KRUCLTNUPZHTQY-HUUCEWRRSA-N 1 3 325.501 0.652 20 0 ECADHO CN1CCCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000270630768 263258498 /nfs/dbraw/zinc/25/84/98/263258498.db2.gz JDURMXZFJRYMRT-UHFFFAOYSA-N 1 3 335.452 0.869 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419877874 273609888 /nfs/dbraw/zinc/60/98/88/273609888.db2.gz QBMPIIZQEHTJDO-CABCVRRESA-N 1 3 326.485 0.953 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000347967440 276343468 /nfs/dbraw/zinc/34/34/68/276343468.db2.gz NFBZMROEQZEASZ-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000419118604 277273986 /nfs/dbraw/zinc/27/39/86/277273986.db2.gz WZTAUWIJNCHVPD-CABCVRRESA-N 1 3 334.464 0.595 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000419195423 278248259 /nfs/dbraw/zinc/24/82/59/278248259.db2.gz VBBASLNORINIKA-HNNXBMFYSA-N 1 3 346.475 0.998 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000459912729 279166087 /nfs/dbraw/zinc/16/60/87/279166087.db2.gz BKZUWBWODONBJL-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CCN1CCN(CCCCNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236875453 279355994 /nfs/dbraw/zinc/35/59/94/279355994.db2.gz COYWHFJGVBSNIU-OAHLLOKOSA-N 1 3 328.526 0.615 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)C[NH3+])CC1 ZINC000416983978 279363784 /nfs/dbraw/zinc/36/37/84/279363784.db2.gz GPJMRLFKZYRKJQ-HNNXBMFYSA-N 1 3 333.480 0.971 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416004177 281820829 /nfs/dbraw/zinc/82/08/29/281820829.db2.gz ICLWDSOFXBOPDX-RYUDHWBXSA-N 1 3 340.390 0.658 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418406292 281822898 /nfs/dbraw/zinc/82/28/98/281822898.db2.gz KYRKCCFEWMHARK-BZUAXINKSA-N 1 3 326.485 0.896 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343639071 437609738 /nfs/dbraw/zinc/60/97/38/437609738.db2.gz LFDJYYNVNSCLBH-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343639071 437609743 /nfs/dbraw/zinc/60/97/43/437609743.db2.gz LFDJYYNVNSCLBH-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1CC(C)C[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000360476498 437610654 /nfs/dbraw/zinc/61/06/54/437610654.db2.gz HCQFZPVMHINPNQ-VGWMRTNUSA-N 1 3 340.512 0.781 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1C[C@@H](C)C[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000360476497 437611199 /nfs/dbraw/zinc/61/11/99/437611199.db2.gz HCQFZPVMHINPNQ-UVPYHEFZSA-N 1 3 340.512 0.781 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000360476497 437611203 /nfs/dbraw/zinc/61/12/03/437611203.db2.gz HCQFZPVMHINPNQ-UVPYHEFZSA-N 1 3 340.512 0.781 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)CCSC1 ZINC000419580274 289398841 /nfs/dbraw/zinc/39/88/41/289398841.db2.gz IDULBXRMRCWTRD-INIZCTEOSA-N 1 3 342.509 0.046 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000332479162 297043662 /nfs/dbraw/zinc/04/36/62/297043662.db2.gz PYHLIEOVBDXNSF-RBSFLKMASA-N 1 3 337.468 0.204 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340297799 437619581 /nfs/dbraw/zinc/61/95/81/437619581.db2.gz LLWVURPRBVFEIR-GASCZTMLSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340297799 437619586 /nfs/dbraw/zinc/61/95/86/437619586.db2.gz LLWVURPRBVFEIR-GASCZTMLSA-N 1 3 326.485 0.491 20 0 ECADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000333250321 297120993 /nfs/dbraw/zinc/12/09/93/297120993.db2.gz CKQQMYHEVTYDGY-HIFRSBDPSA-N 1 3 347.467 0.736 20 0 ECADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000333250321 297120995 /nfs/dbraw/zinc/12/09/95/297120995.db2.gz CKQQMYHEVTYDGY-HIFRSBDPSA-N 1 3 347.467 0.736 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](F)C[C@@H]3CO)CC2)CC1 ZINC000333299564 297122532 /nfs/dbraw/zinc/12/25/32/297122532.db2.gz SNEOCOKKSOTUFQ-XJKSGUPXSA-N 1 3 342.459 0.659 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C[C@H]2N)cn1 ZINC000333601257 297144492 /nfs/dbraw/zinc/14/44/92/297144492.db2.gz QNHKDFFSMDUBHS-QVKMIARZSA-N 1 3 332.452 0.244 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000334035349 297160439 /nfs/dbraw/zinc/16/04/39/297160439.db2.gz KSKOJYHPMUKALR-KBPBESRZSA-N 1 3 325.457 0.969 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000334035349 297160441 /nfs/dbraw/zinc/16/04/41/297160441.db2.gz KSKOJYHPMUKALR-KBPBESRZSA-N 1 3 325.457 0.969 20 0 ECADHO CN(C)CCN(C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000334076362 297161586 /nfs/dbraw/zinc/16/15/86/297161586.db2.gz IQXDMJZMRSJMQT-JKSUJKDBSA-N 1 3 326.485 0.957 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000339579227 297361672 /nfs/dbraw/zinc/36/16/72/297361672.db2.gz NIBAFGGFXYIVAT-BZUAXINKSA-N 1 3 340.512 0.927 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000339587789 297361783 /nfs/dbraw/zinc/36/17/83/297361783.db2.gz QXGDGDKSEFMKFJ-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC[N@@H+]1C ZINC000339746527 297377493 /nfs/dbraw/zinc/37/74/93/297377493.db2.gz UFLVICSYHLKXRK-RHSMWYFYSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC[N@H+]1C ZINC000339746527 297377494 /nfs/dbraw/zinc/37/74/94/297377494.db2.gz UFLVICSYHLKXRK-RHSMWYFYSA-N 1 3 346.475 0.963 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000339751194 297378586 /nfs/dbraw/zinc/37/85/86/297378586.db2.gz IIDYGNHSCLBOBO-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCCC2)CCN1C ZINC000339754644 297379456 /nfs/dbraw/zinc/37/94/56/297379456.db2.gz TVPHVEYLEKIKAQ-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000460071241 298267850 /nfs/dbraw/zinc/26/78/50/298267850.db2.gz YJPRNBQTOFARNH-ZBFHGGJFSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000346530858 298288373 /nfs/dbraw/zinc/28/83/73/298288373.db2.gz DIZDEHQNICMSOE-PVAVHDDUSA-N 1 3 348.491 0.672 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCCS(=O)(=O)NC)[C@@H](C)C1 ZINC000346541402 298290525 /nfs/dbraw/zinc/29/05/25/298290525.db2.gz DVZYOUKFKQEVMY-LSDHHAIUSA-N 1 3 335.514 0.652 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCCS(=O)(=O)NC)[C@@H](C)C1 ZINC000346541402 298290528 /nfs/dbraw/zinc/29/05/28/298290528.db2.gz DVZYOUKFKQEVMY-LSDHHAIUSA-N 1 3 335.514 0.652 20 0 ECADHO CC(C)c1ccc([C@H](N)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000351520923 298774184 /nfs/dbraw/zinc/77/41/84/298774184.db2.gz IJUGTGHINVTRLW-CVEARBPZSA-N 1 3 332.448 0.794 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361028313 300053695 /nfs/dbraw/zinc/05/36/95/300053695.db2.gz DXSJTLSJERMRKJ-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361028313 300053698 /nfs/dbraw/zinc/05/36/98/300053698.db2.gz DXSJTLSJERMRKJ-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO COCC[NH+]1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000364218153 300337196 /nfs/dbraw/zinc/33/71/96/300337196.db2.gz WSYBTUDQWSMHMF-IIDMSEBBSA-N 1 3 339.480 0.746 20 0 ECADHO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@H]1C[C@H](O)CN1 ZINC000364867251 300395444 /nfs/dbraw/zinc/39/54/44/300395444.db2.gz DJPDGUMXXZOHBO-DZGCQCFKSA-N 1 3 333.388 0.257 20 0 ECADHO COc1cc(CNC(=O)[C@@]2(F)CC[NH2+]C2)ccc1OCCN(C)C ZINC000364863230 300395790 /nfs/dbraw/zinc/39/57/90/300395790.db2.gz AWYOYDXMUWYQEN-QGZVFWFLSA-N 1 3 339.411 0.953 20 0 ECADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372541614 301008613 /nfs/dbraw/zinc/00/86/13/301008613.db2.gz ZJQSCNSWOLQKFP-IRXDYDNUSA-N 1 3 349.479 0.952 20 0 ECADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372541614 301008615 /nfs/dbraw/zinc/00/86/15/301008615.db2.gz ZJQSCNSWOLQKFP-IRXDYDNUSA-N 1 3 349.479 0.952 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)N1CCN(C)CC1 ZINC000376586634 301274156 /nfs/dbraw/zinc/27/41/56/301274156.db2.gz XOTZFRXFIYWKPP-QGZVFWFLSA-N 1 3 337.512 0.748 20 0 ECADHO COCCCONC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377002451 301310603 /nfs/dbraw/zinc/31/06/03/301310603.db2.gz NFGVNERTHJKIJU-UHFFFAOYSA-N 1 3 328.457 0.812 20 0 ECADHO O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000377292249 301337401 /nfs/dbraw/zinc/33/74/01/301337401.db2.gz PZGLMOWZZGKZJH-RCCFBDPRSA-N 1 3 347.459 0.271 20 0 ECADHO CN(CCCN(C)[C@@H]1CCN(c2cnn(C)c2)C1=O)CC[NH+](C)C ZINC000377582129 301361372 /nfs/dbraw/zinc/36/13/72/301361372.db2.gz IHMYJXPISIKQTI-MRXNPFEDSA-N 1 3 336.484 0.341 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000377582572 301361624 /nfs/dbraw/zinc/36/16/24/301361624.db2.gz GBSSXKVVDZHZBJ-HUUCEWRRSA-N 1 3 325.453 0.991 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000514726690 301615007 /nfs/dbraw/zinc/61/50/07/301615007.db2.gz HFWUJEBHAUHEOG-KGLIPLIRSA-N 1 3 347.463 0.656 20 0 ECADHO CC(C)[C@@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C ZINC000106914973 436604703 /nfs/dbraw/zinc/60/47/03/436604703.db2.gz CBMJSJOOVXNSEZ-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000108547926 436619304 /nfs/dbraw/zinc/61/93/04/436619304.db2.gz QHMWYFKXPHCDIH-IRXDYDNUSA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000108547926 436619307 /nfs/dbraw/zinc/61/93/07/436619307.db2.gz QHMWYFKXPHCDIH-IRXDYDNUSA-N 1 3 339.528 0.899 20 0 ECADHO c1n[nH]c2c1CC[C@H]([NH2+]C1CCN(CCN3CCOCC3)CC1)C2 ZINC000531734827 302062439 /nfs/dbraw/zinc/06/24/39/302062439.db2.gz RMVKATVZVQDCSD-KRWDZBQOSA-N 1 3 333.480 0.653 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000110992336 436629302 /nfs/dbraw/zinc/62/93/02/436629302.db2.gz BXEKFDUVKNFJLD-IAGOWNOFSA-N 1 3 337.512 0.940 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000110992336 436629304 /nfs/dbraw/zinc/62/93/04/436629304.db2.gz BXEKFDUVKNFJLD-IAGOWNOFSA-N 1 3 337.512 0.940 20 0 ECADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)Nc1ccccc1 ZINC000114502050 436642504 /nfs/dbraw/zinc/64/25/04/436642504.db2.gz PJWXCDCEJFFMJU-KRWDZBQOSA-N 1 3 348.491 0.993 20 0 ECADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)Nc1ccccc1 ZINC000114502052 436642852 /nfs/dbraw/zinc/64/28/52/436642852.db2.gz PJWXCDCEJFFMJU-QGZVFWFLSA-N 1 3 348.491 0.993 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1C)N(C)C ZINC000152089987 436720086 /nfs/dbraw/zinc/72/00/86/436720086.db2.gz JGKMIXGJORFNND-RRFJBIMHSA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H](C)C1)N(C)C ZINC000152089987 436720087 /nfs/dbraw/zinc/72/00/87/436720087.db2.gz JGKMIXGJORFNND-RRFJBIMHSA-N 1 3 326.485 0.726 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1=O ZINC000237169176 436725951 /nfs/dbraw/zinc/72/59/51/436725951.db2.gz DCHYNBKSDKIGJH-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000152779500 436739678 /nfs/dbraw/zinc/73/96/78/436739678.db2.gz OBUMEAOYPPHSGM-LJQANCHMSA-N 1 3 348.491 0.628 20 0 ECADHO CCN1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000152965492 436744497 /nfs/dbraw/zinc/74/44/97/436744497.db2.gz AVWFQSQYJJXUBQ-UHFFFAOYSA-N 1 3 326.485 0.959 20 0 ECADHO CCN1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000152965492 436744501 /nfs/dbraw/zinc/74/45/01/436744501.db2.gz AVWFQSQYJJXUBQ-UHFFFAOYSA-N 1 3 326.485 0.959 20 0 ECADHO CN1CCN(CCCCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000153000771 436745315 /nfs/dbraw/zinc/74/53/15/436745315.db2.gz CMEYWUCAHYJUIG-INIZCTEOSA-N 1 3 325.501 0.655 20 0 ECADHO CN1CCN(CCCCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000153000771 436745318 /nfs/dbraw/zinc/74/53/18/436745318.db2.gz CMEYWUCAHYJUIG-INIZCTEOSA-N 1 3 325.501 0.655 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000238053584 436752586 /nfs/dbraw/zinc/75/25/86/436752586.db2.gz WNKKTJGEFFBFOI-KRWDZBQOSA-N 1 3 344.459 0.738 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000245837986 436767920 /nfs/dbraw/zinc/76/79/20/436767920.db2.gz CYKUFMHSWPZQEI-JKSUJKDBSA-N 1 3 327.469 0.572 20 0 ECADHO C[C@H]1C[NH+](CC2CCN(CCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000069016932 436759169 /nfs/dbraw/zinc/75/91/69/436759169.db2.gz ZMZSHMHGCPRWAB-KBPBESRZSA-N 1 3 338.452 0.359 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000236805943 436718539 /nfs/dbraw/zinc/71/85/39/436718539.db2.gz FODHDTVOVDWNEV-HZPDHXFCSA-N 1 3 338.496 0.810 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)[C@@H](C)C1 ZINC000249301560 436819154 /nfs/dbraw/zinc/81/91/54/436819154.db2.gz NRWQYTBWVQQJBN-ZFWWWQNUSA-N 1 3 340.468 0.701 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)CN1CCN(C)CC1 ZINC000246123880 436773124 /nfs/dbraw/zinc/77/31/24/436773124.db2.gz AIWRDMQBBCQVGG-BRWVUGGUSA-N 1 3 339.528 0.852 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)CN1CCN(C)CC1 ZINC000246123880 436773127 /nfs/dbraw/zinc/77/31/27/436773127.db2.gz AIWRDMQBBCQVGG-BRWVUGGUSA-N 1 3 339.528 0.852 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)n1 ZINC000130586574 436838407 /nfs/dbraw/zinc/83/84/07/436838407.db2.gz YLMVWXQLQKIJKG-UHFFFAOYSA-N 1 3 335.452 0.589 20 0 ECADHO CCOC[C@@H](O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130669590 436840390 /nfs/dbraw/zinc/84/03/90/436840390.db2.gz SLGBRXZTXKHRPO-INIZCTEOSA-N 1 3 343.512 0.800 20 0 ECADHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)[C@H](C)C1 ZINC000162358882 436906393 /nfs/dbraw/zinc/90/63/93/436906393.db2.gz AGIRHCMYBKWHBM-TZMCWYRMSA-N 1 3 330.454 0.414 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000136333399 436931309 /nfs/dbraw/zinc/93/13/09/436931309.db2.gz SPTHSANWEMUCTL-OAHLLOKOSA-N 1 3 337.468 0.029 20 0 ECADHO Cc1c(C(=O)N(C)C[C@H]2CCCN(C)C2)nnn1C1CC[NH2+]CC1 ZINC000165319470 436935886 /nfs/dbraw/zinc/93/58/86/436935886.db2.gz SLKPDJWMDNULBN-AWEZNQCLSA-N 1 3 334.468 0.925 20 0 ECADHO CNC(=O)[C@@]1(C)CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000281057097 436943848 /nfs/dbraw/zinc/94/38/48/436943848.db2.gz JPHQFZCAWZTEFI-APWZRJJASA-N 1 3 346.475 0.864 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263133421 436952753 /nfs/dbraw/zinc/95/27/53/436952753.db2.gz BXEGELWLPDEZEV-CRAIPNDOSA-N 1 3 338.496 0.907 20 0 ECADHO CN(C)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000172301372 437008607 /nfs/dbraw/zinc/00/86/07/437008607.db2.gz IJKAZXJMJHNNKO-UHFFFAOYSA-N 1 3 347.463 0.445 20 0 ECADHO CN(C)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000172301372 437008611 /nfs/dbraw/zinc/00/86/11/437008611.db2.gz IJKAZXJMJHNNKO-UHFFFAOYSA-N 1 3 347.463 0.445 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCC1 ZINC000419428518 303357322 /nfs/dbraw/zinc/35/73/22/303357322.db2.gz SZAYLZTUCNDJTL-MRXNPFEDSA-N 1 3 344.459 0.937 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331725146 437151562 /nfs/dbraw/zinc/15/15/62/437151562.db2.gz WPWFKRHSSMNVPI-FXUDXRNXSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331725146 437151563 /nfs/dbraw/zinc/15/15/63/437151563.db2.gz WPWFKRHSSMNVPI-FXUDXRNXSA-N 1 3 336.480 0.528 20 0 ECADHO CC[NH+]1CCC(NC(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000333392549 437269155 /nfs/dbraw/zinc/26/91/55/437269155.db2.gz XRFGPYXXKFNWEW-UHFFFAOYSA-N 1 3 333.440 0.492 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000332403615 437219550 /nfs/dbraw/zinc/21/95/50/437219550.db2.gz OBQWPAZSWYDAHQ-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)CN3CC[NH2+]CC3)c(C)c2)CC1 ZINC000326542547 437233202 /nfs/dbraw/zinc/23/32/02/437233202.db2.gz ZEGQGZGIKCHGIR-UHFFFAOYSA-N 1 3 345.491 0.981 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000332646185 437238857 /nfs/dbraw/zinc/23/88/57/437238857.db2.gz SQTHVYKPNXDNOY-FVQBIDKESA-N 1 3 336.480 0.657 20 0 ECADHO CC(C(=O)NCc1ccncc1OCCC[NH+](C)C)S(C)(=O)=O ZINC000288795297 437356459 /nfs/dbraw/zinc/35/64/59/437356459.db2.gz YEZYXXQNIHRTOM-LBPRGKRZSA-N 1 3 343.449 0.461 20 0 ECADHO C[NH+](C)CCNC(=O)C1CCN(C[C@](C)(O)C(F)(F)F)CC1 ZINC000337150647 437336564 /nfs/dbraw/zinc/33/65/64/437336564.db2.gz IZXDWCUUGZZRNX-ZDUSSCGKSA-N 1 3 325.375 0.690 20 0 ECADHO C[C@@H](C(=O)NC(C)(C)CCN1CCN(C)CC1)N1CCSCC1 ZINC000184196791 437398089 /nfs/dbraw/zinc/39/80/89/437398089.db2.gz AZLZWIRSLHBBEI-HNNXBMFYSA-N 1 3 342.553 0.956 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(CC)CC1 ZINC000339667550 437488279 /nfs/dbraw/zinc/48/82/79/437488279.db2.gz SUFGHILCARELMP-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000289755277 437439735 /nfs/dbraw/zinc/43/97/35/437439735.db2.gz HTPWYJBNNCFIOF-CQSZACIVSA-N 1 3 337.420 0.524 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000269139001 437459899 /nfs/dbraw/zinc/45/98/99/437459899.db2.gz ZDGAZFSGRVWRLP-UHFFFAOYSA-N 1 3 330.476 0.920 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1=O ZINC000188706473 437567399 /nfs/dbraw/zinc/56/73/99/437567399.db2.gz NKAXIEIEANHYCM-INIZCTEOSA-N 1 3 330.432 0.316 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCCN(C)C)C[C@@H]1C ZINC000360278728 437573714 /nfs/dbraw/zinc/57/37/14/437573714.db2.gz KSYCSWIFEOXHHG-LSDHHAIUSA-N 1 3 342.484 0.012 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCCN(C)C)C[C@@H]1C ZINC000360278728 437573716 /nfs/dbraw/zinc/57/37/16/437573716.db2.gz KSYCSWIFEOXHHG-LSDHHAIUSA-N 1 3 342.484 0.012 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1=CCN(C)CC1 ZINC000340480187 437659914 /nfs/dbraw/zinc/65/99/14/437659914.db2.gz XTEQUHSHMGBDDY-BPUTZDHNSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1=CCN(C)CC1 ZINC000340480187 437659919 /nfs/dbraw/zinc/65/99/19/437659919.db2.gz XTEQUHSHMGBDDY-BPUTZDHNSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)CCCN(C)CC[NH+](C)C ZINC000344021476 437718327 /nfs/dbraw/zinc/71/83/27/437718327.db2.gz GVHFXYWMPIPLDP-CQSZACIVSA-N 1 3 343.516 0.815 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)CN1CCN(C)CC1 ZINC000362073358 437712743 /nfs/dbraw/zinc/71/27/43/437712743.db2.gz VYVCCVQEMJVWIA-CVEARBPZSA-N 1 3 325.501 0.463 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000423624017 437783185 /nfs/dbraw/zinc/78/31/85/437783185.db2.gz PEFXSQDSDPIWNW-INIZCTEOSA-N 1 3 336.480 0.661 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000423682690 437801637 /nfs/dbraw/zinc/80/16/37/437801637.db2.gz WHWNZIUGYUDBAW-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423695314 437806252 /nfs/dbraw/zinc/80/62/52/437806252.db2.gz BRADXJWHYQKFGU-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1=O ZINC000423974070 437868482 /nfs/dbraw/zinc/86/84/82/437868482.db2.gz RPGQTZSMURDGKO-SJORKVTESA-N 1 3 346.475 0.993 20 0 ECADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423839042 437840420 /nfs/dbraw/zinc/84/04/20/437840420.db2.gz IZYBKKVBJCQCKN-NVXWUHKLSA-N 1 3 346.475 0.881 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN1C(C)=O ZINC000357159585 437925939 /nfs/dbraw/zinc/92/59/39/437925939.db2.gz RNBLWGWFNDUJKT-IRXDYDNUSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN1C(C)=O ZINC000357159585 437925944 /nfs/dbraw/zinc/92/59/44/437925944.db2.gz RNBLWGWFNDUJKT-IRXDYDNUSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H](NC(=O)Nc1cnc(N2CCNCC2)nc1)C(C)(C)C[NH+](C)C ZINC000415947743 437880998 /nfs/dbraw/zinc/88/09/98/437880998.db2.gz AUZJMSGKRUJRAO-CYBMUJFWSA-N 1 3 349.483 0.984 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424159198 437897696 /nfs/dbraw/zinc/89/76/96/437897696.db2.gz UZZWQEUPDJLVDC-ILXRZTDVSA-N 1 3 332.452 0.901 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000357072540 437904237 /nfs/dbraw/zinc/90/42/37/437904237.db2.gz HJEWHDKAHZJTDS-WMLDXEAASA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347543072 437906806 /nfs/dbraw/zinc/90/68/06/437906806.db2.gz XXRGWLGEQMASOY-KRWDZBQOSA-N 1 3 344.459 0.962 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000371269561 437909505 /nfs/dbraw/zinc/90/95/05/437909505.db2.gz APSXVGGJVCKSSF-CQSZACIVSA-N 1 3 334.468 0.096 20 0 ECADHO CC(C)[C@@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000357377764 437973375 /nfs/dbraw/zinc/97/33/75/437973375.db2.gz PHQAZKVQEOFLNG-MRXNPFEDSA-N 1 3 338.496 0.810 20 0 ECADHO COCCN(C)CCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417085964 438021040 /nfs/dbraw/zinc/02/10/40/438021040.db2.gz BWNAZMQAUYYJHA-INIZCTEOSA-N 1 3 326.485 0.986 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000357625739 438029902 /nfs/dbraw/zinc/02/99/02/438029902.db2.gz JJSUDLWIDUJFTH-GOEBONIOSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1(NC(N)=O)CC1 ZINC000348230870 438032585 /nfs/dbraw/zinc/03/25/85/438032585.db2.gz RMHWBUKIXIHUHM-ZDUSSCGKSA-N 1 3 325.457 0.062 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1(NC(N)=O)CC1 ZINC000348230870 438032589 /nfs/dbraw/zinc/03/25/89/438032589.db2.gz RMHWBUKIXIHUHM-ZDUSSCGKSA-N 1 3 325.457 0.062 20 0 ECADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3(N)Cc4ccccc4C3)CC2)C1 ZINC000372099516 438034025 /nfs/dbraw/zinc/03/40/25/438034025.db2.gz VRTVUORNSFFJGQ-SFHVURJKSA-N 1 3 342.487 0.721 20 0 ECADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C3(N)Cc4ccccc4C3)CC2)C1 ZINC000372099516 438034029 /nfs/dbraw/zinc/03/40/29/438034029.db2.gz VRTVUORNSFFJGQ-SFHVURJKSA-N 1 3 342.487 0.721 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000357681454 438042038 /nfs/dbraw/zinc/04/20/38/438042038.db2.gz LGWRFGKFLFTHKB-CQSZACIVSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1=O ZINC000366556720 438093095 /nfs/dbraw/zinc/09/30/95/438093095.db2.gz QGXBDMZNZKLVOQ-XHSDSOJGSA-N 1 3 348.491 0.578 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1=O ZINC000366556717 438094426 /nfs/dbraw/zinc/09/44/26/438094426.db2.gz QGXBDMZNZKLVOQ-ARFHVFGLSA-N 1 3 348.491 0.578 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)C1 ZINC000357903429 438095865 /nfs/dbraw/zinc/09/58/65/438095865.db2.gz GLNUIRYBLLLAME-FVQBIDKESA-N 1 3 346.431 0.045 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)C1 ZINC000357903429 438095869 /nfs/dbraw/zinc/09/58/69/438095869.db2.gz GLNUIRYBLLLAME-FVQBIDKESA-N 1 3 346.431 0.045 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417989757 438096959 /nfs/dbraw/zinc/09/69/59/438096959.db2.gz JPDCFIIJDHQTPP-RHSMWYFYSA-N 1 3 334.464 0.908 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000348767553 438097267 /nfs/dbraw/zinc/09/72/67/438097267.db2.gz WVGVAJHKSGWWSC-CABCVRRESA-N 1 3 336.480 0.553 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000348767553 438097272 /nfs/dbraw/zinc/09/72/72/438097272.db2.gz WVGVAJHKSGWWSC-CABCVRRESA-N 1 3 336.480 0.553 20 0 ECADHO [NH3+][C@@H]1CCCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000417994703 438098864 /nfs/dbraw/zinc/09/88/64/438098864.db2.gz PGVAZPMLLIDZPJ-IAGOWNOFSA-N 1 3 332.448 0.886 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3)nc2)CC1 ZINC000357919574 438099859 /nfs/dbraw/zinc/09/98/59/438099859.db2.gz KNDXZMMNBHMHNM-CABCVRRESA-N 1 3 333.436 0.273 20 0 ECADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417450214 438052687 /nfs/dbraw/zinc/05/26/87/438052687.db2.gz BGQZWPBHBKXBNY-STQMWFEESA-N 1 3 335.452 0.513 20 0 ECADHO COC1CCN(C2(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CCCC2)CC1 ZINC000357935982 438103645 /nfs/dbraw/zinc/10/36/45/438103645.db2.gz VKDCPGRSYKYISC-UKRRQHHQSA-N 1 3 325.453 0.249 20 0 ECADHO C[C@H]1C[N@H+](CCCNC(=O)N[C@H]2CNCCC2(F)F)CCCO1 ZINC000418116437 438108588 /nfs/dbraw/zinc/10/85/88/438108588.db2.gz QEIRBLNLVHMGGF-STQMWFEESA-N 1 3 334.411 0.784 20 0 ECADHO C[C@H]1C[N@@H+](CCCNC(=O)N[C@H]2CNCCC2(F)F)CCCO1 ZINC000418116437 438108592 /nfs/dbraw/zinc/10/85/92/438108592.db2.gz QEIRBLNLVHMGGF-STQMWFEESA-N 1 3 334.411 0.784 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@@](C)(C[NH3+])C2CC2)C1 ZINC000430571424 438113075 /nfs/dbraw/zinc/11/30/75/438113075.db2.gz MFVFBHCSKJCXPM-WBVHZDCISA-N 1 3 326.485 0.176 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@@](C)(CN)C2CC2)C1 ZINC000430571424 438113082 /nfs/dbraw/zinc/11/30/82/438113082.db2.gz MFVFBHCSKJCXPM-WBVHZDCISA-N 1 3 326.485 0.176 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000418173119 438114163 /nfs/dbraw/zinc/11/41/63/438114163.db2.gz PYZYKIUMORBNPP-LSDHHAIUSA-N 1 3 325.501 0.829 20 0 ECADHO COC[C@]1(CNC(=O)NCCN2CCN(C)C(C)(C)C2)CCC[NH2+]1 ZINC000418176425 438114444 /nfs/dbraw/zinc/11/44/44/438114444.db2.gz UNLVPRYOHUDQBY-QGZVFWFLSA-N 1 3 341.500 0.080 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000349025908 438126794 /nfs/dbraw/zinc/12/67/94/438126794.db2.gz IOSHHKPCESAMKO-IYBDPMFKSA-N 1 3 338.496 0.382 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000349025908 438126800 /nfs/dbraw/zinc/12/68/00/438126800.db2.gz IOSHHKPCESAMKO-IYBDPMFKSA-N 1 3 338.496 0.382 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000430893521 438127356 /nfs/dbraw/zinc/12/73/56/438127356.db2.gz JSBHKLFKSPKPQJ-CVEARBPZSA-N 1 3 332.448 0.260 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000430893521 438127364 /nfs/dbraw/zinc/12/73/64/438127364.db2.gz JSBHKLFKSPKPQJ-CVEARBPZSA-N 1 3 332.448 0.260 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418373454 438136116 /nfs/dbraw/zinc/13/61/16/438136116.db2.gz BUYXIMOEDFXSOR-SJLPKXTDSA-N 1 3 334.464 0.906 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)COC3C[NH2+]C3)cc2)CC1 ZINC000430998934 438139922 /nfs/dbraw/zinc/13/99/22/438139922.db2.gz ACCZUDHKGBBICK-UHFFFAOYSA-N 1 3 332.448 0.751 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)COC2C[NH2+]C2)CC1 ZINC000431017065 438141781 /nfs/dbraw/zinc/14/17/81/438141781.db2.gz ZPVZWJYWTRMBHJ-UHFFFAOYSA-N 1 3 346.475 0.429 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418691324 438176259 /nfs/dbraw/zinc/17/62/59/438176259.db2.gz DOUDQLGIMHLXFE-IKGGRYGDSA-N 1 3 334.464 0.906 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000349758653 438176496 /nfs/dbraw/zinc/17/64/96/438176496.db2.gz NNNDLMVOBOKDNH-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418691328 438176483 /nfs/dbraw/zinc/17/64/83/438176483.db2.gz DOUDQLGIMHLXFE-ULQDDVLXSA-N 1 3 334.464 0.906 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@H](C)[NH3+] ZINC000418717010 438178886 /nfs/dbraw/zinc/17/88/86/438178886.db2.gz HSPHEBKFYSKSNK-LZWOXQAQSA-N 1 3 349.479 0.310 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000373436743 438150964 /nfs/dbraw/zinc/15/09/64/438150964.db2.gz WRNKGQXKVBYBNK-JJRVBVJISA-N 1 3 327.469 0.603 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000373436743 438150966 /nfs/dbraw/zinc/15/09/66/438150966.db2.gz WRNKGQXKVBYBNK-JJRVBVJISA-N 1 3 327.469 0.603 20 0 ECADHO C[C@H](C[NH3+])NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418516466 438154979 /nfs/dbraw/zinc/15/49/79/438154979.db2.gz SCFDPZIYXGTJDN-MRXNPFEDSA-N 1 3 333.480 0.793 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418583307 438161886 /nfs/dbraw/zinc/16/18/86/438161886.db2.gz AWIQDTBHUAVUKL-SUMDDJOVSA-N 1 3 346.475 0.921 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCCN(CCCO)C1 ZINC000418599275 438163658 /nfs/dbraw/zinc/16/36/58/438163658.db2.gz ZKEDWABHUCOZBX-QGZVFWFLSA-N 1 3 332.448 0.936 20 0 ECADHO COCC1(CNC(=O)NC[C@H]2CCCCN2CCO)CC[NH2+]CC1 ZINC000418635183 438170914 /nfs/dbraw/zinc/17/09/14/438170914.db2.gz DDOZNZFSDGOCOD-OAHLLOKOSA-N 1 3 342.484 0.149 20 0 ECADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000418647593 438171090 /nfs/dbraw/zinc/17/10/90/438171090.db2.gz GTZKALQUEIUZGW-AEFFLSMTSA-N 1 3 345.491 0.938 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCCC[NH3+])C1 ZINC000418861590 438222821 /nfs/dbraw/zinc/22/28/21/438222821.db2.gz GUAKSBLRKYKSNP-CQSZACIVSA-N 1 3 326.485 0.858 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000418864563 438224683 /nfs/dbraw/zinc/22/46/83/438224683.db2.gz QYQRGFFETBRPKP-JKSUJKDBSA-N 1 3 332.448 0.664 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000418872397 438228398 /nfs/dbraw/zinc/22/83/98/438228398.db2.gz WNIKZZRGKXCFNI-KBPBESRZSA-N 1 3 326.485 0.857 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000418871914 438229025 /nfs/dbraw/zinc/22/90/25/438229025.db2.gz FPMXHPUDCTVBDJ-VQIMIIECSA-N 1 3 346.475 0.473 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000418875918 438231188 /nfs/dbraw/zinc/23/11/88/438231188.db2.gz LJGVHLJXZOUJNK-HOTGVXAUSA-N 1 3 332.448 0.083 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000418873749 438231195 /nfs/dbraw/zinc/23/11/95/438231195.db2.gz YQSJJAXPABLNLU-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000350987108 438244792 /nfs/dbraw/zinc/24/47/92/438244792.db2.gz KODFITPAEAXNTO-XHSDSOJGSA-N 1 3 338.496 0.918 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC000350204876 438202252 /nfs/dbraw/zinc/20/22/52/438202252.db2.gz GFPVYIQQZNXRGG-AWEZNQCLSA-N 1 3 326.441 0.361 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000432566116 438203198 /nfs/dbraw/zinc/20/31/98/438203198.db2.gz CBCSGRQMRYNSBW-KRWDZBQOSA-N 1 3 338.496 0.384 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000432566116 438203202 /nfs/dbraw/zinc/20/32/02/438203202.db2.gz CBCSGRQMRYNSBW-KRWDZBQOSA-N 1 3 338.496 0.384 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000418832300 438204462 /nfs/dbraw/zinc/20/44/62/438204462.db2.gz JWODFDJZJNULHJ-JSGCOSHPSA-N 1 3 340.468 0.205 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000418937712 438255682 /nfs/dbraw/zinc/25/56/82/438255682.db2.gz OYVKPFQKSMSPSE-ZBFHGGJFSA-N 1 3 338.496 0.810 20 0 ECADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)N3CCN(c4ccccn4)CC3)C[C@@H]12 ZINC000351502267 438272764 /nfs/dbraw/zinc/27/27/64/438272764.db2.gz ZMJDJZBQBRMLDG-GVDBMIGSSA-N 1 3 343.475 0.789 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000418985811 438273072 /nfs/dbraw/zinc/27/30/72/438273072.db2.gz GBRXTQHNZSGFJM-HOTGVXAUSA-N 1 3 332.448 0.608 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418992413 438275369 /nfs/dbraw/zinc/27/53/69/438275369.db2.gz FWPSPEQSQWMUQY-UONOGXRCSA-N 1 3 340.468 0.208 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000418996210 438277266 /nfs/dbraw/zinc/27/72/66/438277266.db2.gz JUOVQPGJCKGLRY-HNNXBMFYSA-N 1 3 326.485 0.858 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419000164 438279180 /nfs/dbraw/zinc/27/91/80/438279180.db2.gz NYKBHILWPWAILT-OAHLLOKOSA-N 1 3 326.485 0.714 20 0 ECADHO Cc1cc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)n(C2CCN(C)CC2)n1 ZINC000351559329 438288019 /nfs/dbraw/zinc/28/80/19/438288019.db2.gz ILPUZACEJGKDGQ-CQSZACIVSA-N 1 3 348.451 0.265 20 0 ECADHO NC[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433485659 438254150 /nfs/dbraw/zinc/25/41/50/438254150.db2.gz IADBZUUFRDUVDY-OAHLLOKOSA-N 1 3 332.452 0.329 20 0 ECADHO NC[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433485659 438254155 /nfs/dbraw/zinc/25/41/55/438254155.db2.gz IADBZUUFRDUVDY-OAHLLOKOSA-N 1 3 332.452 0.329 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N(CC)CC ZINC000434708925 438319473 /nfs/dbraw/zinc/31/94/73/438319473.db2.gz WGZRXDUFTNROSR-HUUCEWRRSA-N 1 3 326.485 0.953 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419120414 438330316 /nfs/dbraw/zinc/33/03/16/438330316.db2.gz KXPLFMZSCXMRDE-HZPDHXFCSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419122126 438332348 /nfs/dbraw/zinc/33/23/48/438332348.db2.gz NCMBLQYZRPQWMW-ARFHVFGLSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000419142952 438344488 /nfs/dbraw/zinc/34/44/88/438344488.db2.gz DAFGXDDNZCBSGH-PMPSAXMXSA-N 1 3 338.496 0.809 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419076375 438313051 /nfs/dbraw/zinc/31/30/51/438313051.db2.gz HLIXVMHARZJZGK-AWEZNQCLSA-N 1 3 326.485 0.810 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)C[C@@H]21 ZINC000378463132 438390801 /nfs/dbraw/zinc/39/08/01/438390801.db2.gz ZXOSIEFTKNTGEX-WBVHZDCISA-N 1 3 337.512 0.748 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000419203245 438351714 /nfs/dbraw/zinc/35/17/14/438351714.db2.gz NZBDQNIZXNZWSN-GJZGRUSLSA-N 1 3 334.464 0.819 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000419203245 438351717 /nfs/dbraw/zinc/35/17/17/438351717.db2.gz NZBDQNIZXNZWSN-GJZGRUSLSA-N 1 3 334.464 0.819 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419424826 438358360 /nfs/dbraw/zinc/35/83/60/438358360.db2.gz OTHUXVGAEKGOSY-MRXNPFEDSA-N 1 3 332.448 0.618 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000419770878 438371444 /nfs/dbraw/zinc/37/14/44/438371444.db2.gz XEHZBGQPXCDXSG-YOEHRIQHSA-N 1 3 346.475 0.724 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419785730 438372333 /nfs/dbraw/zinc/37/23/33/438372333.db2.gz ZIDRWZHZSWOVRO-GJZGRUSLSA-N 1 3 338.496 0.810 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000369089214 438422074 /nfs/dbraw/zinc/42/20/74/438422074.db2.gz YNVGCYNFXWJMDP-IAGOWNOFSA-N 1 3 338.496 0.072 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389986575 438429908 /nfs/dbraw/zinc/42/99/08/438429908.db2.gz MJWQLCMSUSMMMI-ZVZYQTTQSA-N 1 3 346.475 0.723 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389986575 438429910 /nfs/dbraw/zinc/42/99/10/438429910.db2.gz MJWQLCMSUSMMMI-ZVZYQTTQSA-N 1 3 346.475 0.723 20 0 ECADHO O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391003952 438435625 /nfs/dbraw/zinc/43/56/25/438435625.db2.gz GPHAZFFPOUMBKK-ZWKOTPCHSA-N 1 3 347.459 0.772 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCN([C@H](C)CO)CC2)CC1 ZINC000368966998 438404838 /nfs/dbraw/zinc/40/48/38/438404838.db2.gz UBPTVTQISOKDEK-MRXNPFEDSA-N 1 3 340.512 0.364 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(CC4CC4)CC3)C2)CC1 ZINC000369362222 438459677 /nfs/dbraw/zinc/45/96/77/438459677.db2.gz DTAHWKIHEKHXIG-KRWDZBQOSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(CC4CC4)CC3)C2)CC1 ZINC000369362222 438459683 /nfs/dbraw/zinc/45/96/83/438459683.db2.gz DTAHWKIHEKHXIG-KRWDZBQOSA-N 1 3 349.523 0.892 20 0 ECADHO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(CC4CC4)CC3)C2)CC1 ZINC000369362222 438459685 /nfs/dbraw/zinc/45/96/85/438459685.db2.gz DTAHWKIHEKHXIG-KRWDZBQOSA-N 1 3 349.523 0.892 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2=CCN(C)CC2)CC1=O ZINC000369744192 438509237 /nfs/dbraw/zinc/50/92/37/438509237.db2.gz DRFUYLPNYJAESX-IAGOWNOFSA-N 1 3 348.491 0.697 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2=CCN(C)CC2)CC1=O ZINC000369744192 438509241 /nfs/dbraw/zinc/50/92/41/438509241.db2.gz DRFUYLPNYJAESX-IAGOWNOFSA-N 1 3 348.491 0.697 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422230194 438535143 /nfs/dbraw/zinc/53/51/43/438535143.db2.gz CLDLQUTYXGDDKN-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410463430 438587185 /nfs/dbraw/zinc/58/71/85/438587185.db2.gz BFCGGFCDLNXUHO-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410463430 438587188 /nfs/dbraw/zinc/58/71/88/438587188.db2.gz BFCGGFCDLNXUHO-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410463433 438587196 /nfs/dbraw/zinc/58/71/96/438587196.db2.gz BFCGGFCDLNXUHO-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410463433 438587197 /nfs/dbraw/zinc/58/71/97/438587197.db2.gz BFCGGFCDLNXUHO-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410464542 438587931 /nfs/dbraw/zinc/58/79/31/438587931.db2.gz DNCLJIHYRBPFKN-QAPCUYQASA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410464542 438587933 /nfs/dbraw/zinc/58/79/33/438587933.db2.gz DNCLJIHYRBPFKN-QAPCUYQASA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442600183 438611688 /nfs/dbraw/zinc/61/16/88/438611688.db2.gz QLSPBEDREHUUNB-CVEARBPZSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442600183 438611690 /nfs/dbraw/zinc/61/16/90/438611690.db2.gz QLSPBEDREHUUNB-CVEARBPZSA-N 1 3 339.528 0.994 20 0 ECADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCN(C(C)C)C2=O)CC[NH2+]CC1 ZINC000422980577 438625087 /nfs/dbraw/zinc/62/50/87/438625087.db2.gz LULWNEBCSJOCDB-KGLIPLIRSA-N 1 3 325.453 0.907 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423158363 438643258 /nfs/dbraw/zinc/64/32/58/438643258.db2.gz WNOLNRCCJYGLKN-RVKKMQEKSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)C[C@H](C)N1C(=O)/C=C\CN(C)C ZINC000493700943 438643404 /nfs/dbraw/zinc/64/34/04/438643404.db2.gz YQQTWDWLNBRYTL-JTQZVZHASA-N 1 3 336.480 0.670 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C/CN(C)C)C[C@H](C)N1C(=O)/C=C\C[NH+](C)C ZINC000493700943 438643407 /nfs/dbraw/zinc/64/34/07/438643407.db2.gz YQQTWDWLNBRYTL-JTQZVZHASA-N 1 3 336.480 0.670 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)C[C@@H]21 ZINC000423146806 438643693 /nfs/dbraw/zinc/64/36/93/438643693.db2.gz BBOVZAXDKLKBED-LTIDMASMSA-N 1 3 348.491 0.659 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000423169440 438644584 /nfs/dbraw/zinc/64/45/84/438644584.db2.gz JVRRYNRJFUDAQR-UHFFFAOYSA-N 1 3 338.452 0.546 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC2CCCCC2)C[C@@H]1[NH3+] ZINC000423178579 438646629 /nfs/dbraw/zinc/64/66/29/438646629.db2.gz BYCJSMGZWPRPII-ZBFHGGJFSA-N 1 3 338.496 0.763 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423227777 438649591 /nfs/dbraw/zinc/64/95/91/438649591.db2.gz WYJZNEUBEPNBOY-ULQDDVLXSA-N 1 3 348.491 0.674 20 0 ECADHO [NH3+]C[C@H]1CCC[C@@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422851818 438611102 /nfs/dbraw/zinc/61/11/02/438611102.db2.gz XJGPSQIVPOEXHP-CVEARBPZSA-N 1 3 331.464 0.837 20 0 ECADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422851818 438611104 /nfs/dbraw/zinc/61/11/04/438611104.db2.gz XJGPSQIVPOEXHP-CVEARBPZSA-N 1 3 331.464 0.837 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000411022561 438672025 /nfs/dbraw/zinc/67/20/25/438672025.db2.gz JNBRBBDUEKJCFC-YJBOKZPZSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000411022561 438672027 /nfs/dbraw/zinc/67/20/27/438672027.db2.gz JNBRBBDUEKJCFC-YJBOKZPZSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)CCn1ccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)n1 ZINC000449340213 438688049 /nfs/dbraw/zinc/68/80/49/438688049.db2.gz NEOMUVKOCJLXMS-SFHVURJKSA-N 1 3 327.432 1.315 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414846511 438718668 /nfs/dbraw/zinc/71/86/68/438718668.db2.gz SWCAEODFANKIRN-INIZCTEOSA-N 1 3 330.432 0.871 20 0 ECADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574771275 438720402 /nfs/dbraw/zinc/72/04/02/438720402.db2.gz RKXAWIFKWVFNQN-RBSFLKMASA-N 1 3 337.468 0.204 20 0 ECADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574771275 438720406 /nfs/dbraw/zinc/72/04/06/438720406.db2.gz RKXAWIFKWVFNQN-RBSFLKMASA-N 1 3 337.468 0.204 20 0 ECADHO NCC(=O)N1CCC[C@H](C[NH2+]CCOc2ncccc2Cl)C1 ZINC000415088316 438728539 /nfs/dbraw/zinc/72/85/39/438728539.db2.gz LRUYYNOKLWDZQJ-GFCCVEGCSA-N 1 3 326.828 0.901 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000574981449 438730457 /nfs/dbraw/zinc/73/04/57/438730457.db2.gz KFTSFPJOYXDAFE-LEOABGAYSA-N 1 3 334.464 0.267 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000576809013 438799820 /nfs/dbraw/zinc/79/98/20/438799820.db2.gz VBXIZOXJXKWMTL-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000575973976 438763387 /nfs/dbraw/zinc/76/33/87/438763387.db2.gz GHALJGPVDQZAGX-OAGGEKHMSA-N 1 3 340.512 0.973 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCCC1 ZINC000555680522 438776527 /nfs/dbraw/zinc/77/65/27/438776527.db2.gz NFIGGDSSRYQVLP-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)N1CCN(C)CC1 ZINC000457598442 438812593 /nfs/dbraw/zinc/81/25/93/438812593.db2.gz CNXXFWYXBAVJHF-GVDBMIGSSA-N 1 3 337.512 0.604 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)N1CCN(C)CC1 ZINC000457598442 438812598 /nfs/dbraw/zinc/81/25/98/438812598.db2.gz CNXXFWYXBAVJHF-GVDBMIGSSA-N 1 3 337.512 0.604 20 0 ECADHO CN1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](CN)C1 ZINC000514590431 438816509 /nfs/dbraw/zinc/81/65/09/438816509.db2.gz OZOSAMPGCCWCJN-OAHLLOKOSA-N 1 3 325.501 0.925 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C[C@@H]21 ZINC000514717217 438826558 /nfs/dbraw/zinc/82/65/58/438826558.db2.gz LTBHUCFMQYYDRS-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)C[C@@H]21 ZINC000514717217 438826562 /nfs/dbraw/zinc/82/65/62/438826562.db2.gz LTBHUCFMQYYDRS-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000577370470 438835382 /nfs/dbraw/zinc/83/53/82/438835382.db2.gz JVDBZPPLNAEXAW-LSDHHAIUSA-N 1 3 326.485 0.727 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000577355372 438835641 /nfs/dbraw/zinc/83/56/41/438835641.db2.gz DXRNWJKBHVFMRF-MRXNPFEDSA-N 1 3 341.500 0.160 20 0 ECADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000564956373 438894919 /nfs/dbraw/zinc/89/49/19/438894919.db2.gz JTTHEMSNLYYZFZ-JKSUJKDBSA-N 1 3 328.420 0.470 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000564956373 438894926 /nfs/dbraw/zinc/89/49/26/438894926.db2.gz JTTHEMSNLYYZFZ-JKSUJKDBSA-N 1 3 328.420 0.470 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000578225926 438907046 /nfs/dbraw/zinc/90/70/46/438907046.db2.gz PFZHGVJFRSFQMF-MRXNPFEDSA-N 1 3 349.479 0.411 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000577727582 438867125 /nfs/dbraw/zinc/86/71/25/438867125.db2.gz SBKPQLSLYGJTCS-OAHLLOKOSA-N 1 3 333.480 0.971 20 0 ECADHO CS[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1N(C)C ZINC000601380326 438869563 /nfs/dbraw/zinc/86/95/63/438869563.db2.gz TXVPTBYBUXPQSJ-KGLIPLIRSA-N 1 3 325.482 0.562 20 0 ECADHO CC(C)[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)N1CCN(C)CC1 ZINC000577950773 438884184 /nfs/dbraw/zinc/88/41/84/438884184.db2.gz BOXLHSXIJSRSAB-HZPDHXFCSA-N 1 3 326.485 0.143 20 0 ECADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000516490693 438909023 /nfs/dbraw/zinc/90/90/23/438909023.db2.gz VNSQPGSFHIJGRR-AWEZNQCLSA-N 1 3 337.468 0.362 20 0 ECADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000516490693 438909028 /nfs/dbraw/zinc/90/90/28/438909028.db2.gz VNSQPGSFHIJGRR-AWEZNQCLSA-N 1 3 337.468 0.362 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000578323508 438914529 /nfs/dbraw/zinc/91/45/29/438914529.db2.gz LIBXSPWGMYDJKK-KKUMJFAQSA-N 1 3 334.464 0.865 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000516734829 438924493 /nfs/dbraw/zinc/92/44/93/438924493.db2.gz HOHHYJHQDWVWCI-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000516734829 438924497 /nfs/dbraw/zinc/92/44/97/438924497.db2.gz HOHHYJHQDWVWCI-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CN1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)[C@@H](C[NH3+])C1 ZINC000578504567 438928716 /nfs/dbraw/zinc/92/87/16/438928716.db2.gz IBZQCTGJBZMGGU-IRXDYDNUSA-N 1 3 331.464 0.395 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H](C)[NH+](C)C ZINC000459066923 438942155 /nfs/dbraw/zinc/94/21/55/438942155.db2.gz VLIFAQMSNYWHCZ-INIZCTEOSA-N 1 3 327.517 0.996 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000578857584 438958683 /nfs/dbraw/zinc/95/86/83/438958683.db2.gz IWXOGRKKROIZKP-LSDHHAIUSA-N 1 3 338.496 0.763 20 0 ECADHO C[C@H](CN1CCOCC1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000517373283 438963039 /nfs/dbraw/zinc/96/30/39/438963039.db2.gz XNJBOAOZKFWXDN-BRWVUGGUSA-N 1 3 338.496 0.287 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000579465441 439010839 /nfs/dbraw/zinc/01/08/39/439010839.db2.gz ZEFPEGOFZQNUSI-MSOLQXFVSA-N 1 3 326.529 0.552 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000579465441 439010844 /nfs/dbraw/zinc/01/08/44/439010844.db2.gz ZEFPEGOFZQNUSI-MSOLQXFVSA-N 1 3 326.529 0.552 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000566108985 439007278 /nfs/dbraw/zinc/00/72/78/439007278.db2.gz HXQJMKPYVMHWNO-KURKYZTESA-N 1 3 340.556 0.941 20 0 ECADHO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC000566108985 439007282 /nfs/dbraw/zinc/00/72/82/439007282.db2.gz HXQJMKPYVMHWNO-KURKYZTESA-N 1 3 340.556 0.941 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000519634690 439048812 /nfs/dbraw/zinc/04/88/12/439048812.db2.gz LMCIDJWIOMUWJA-HOCLYGCPSA-N 1 3 340.431 0.647 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NCCN(C)C ZINC000579611470 439024997 /nfs/dbraw/zinc/02/49/97/439024997.db2.gz MBRFDNFDKIBGED-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NCCN(C)C ZINC000579611470 439025003 /nfs/dbraw/zinc/02/50/03/439025003.db2.gz MBRFDNFDKIBGED-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)Cc1ccc(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)cc1F ZINC000519386451 439031188 /nfs/dbraw/zinc/03/11/88/439031188.db2.gz VFMVLHUJODZDQR-QGZVFWFLSA-N 1 3 338.471 0.585 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000459913783 439033518 /nfs/dbraw/zinc/03/35/18/439033518.db2.gz XFERBMMIZVDRLZ-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CN(CC[C@@H]1CCCCN1C)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602484999 439097284 /nfs/dbraw/zinc/09/72/84/439097284.db2.gz LRWHYPWSQVCOHV-RCDICMHDSA-N 1 3 329.510 0.820 20 0 ECADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000521010159 439101937 /nfs/dbraw/zinc/10/19/37/439101937.db2.gz ORAGJMIXJIUSCG-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO NC[C@@H]1c2ccccc2CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000566677036 439079823 /nfs/dbraw/zinc/07/98/23/439079823.db2.gz JEKVXTHGKSTLAU-QGZVFWFLSA-N 1 3 331.464 0.549 20 0 ECADHO CCN1CCC(NC(=O)Cn2cc(CSCC[NH3+])nn2)CC1 ZINC000603181057 439203883 /nfs/dbraw/zinc/20/38/83/439203883.db2.gz GDZNCABEOBNUHG-UHFFFAOYSA-N 1 3 326.470 0.071 20 0 ECADHO C[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)CN1CCN(C)CC1 ZINC000592960666 439323415 /nfs/dbraw/zinc/32/34/15/439323415.db2.gz BOJYZHXWLFLTPC-HUUCEWRRSA-N 1 3 348.495 0.333 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582350624 439323590 /nfs/dbraw/zinc/32/35/90/439323590.db2.gz DUYVWTKPXIUCGU-MAUKXSAKSA-N 1 3 336.480 0.579 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000569433451 439330751 /nfs/dbraw/zinc/33/07/51/439330751.db2.gz KRUCQCHIEYVCPP-HZPDHXFCSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC1CNC1 ZINC000568858114 439285111 /nfs/dbraw/zinc/28/51/11/439285111.db2.gz IGKRERSWGTVVSK-CZUORRHYSA-N 1 3 330.432 0.101 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC1CNC1 ZINC000568858114 439285116 /nfs/dbraw/zinc/28/51/16/439285116.db2.gz IGKRERSWGTVVSK-CZUORRHYSA-N 1 3 330.432 0.101 20 0 ECADHO Cc1ccc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000569788836 439361525 /nfs/dbraw/zinc/36/15/25/439361525.db2.gz XWNGONZYLOITGR-UHFFFAOYSA-N 1 3 348.491 0.905 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000569493318 439340759 /nfs/dbraw/zinc/34/07/59/439340759.db2.gz XJQUXCNSFBHQHZ-UHFFFAOYSA-N 1 3 325.501 0.784 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000582606327 439357041 /nfs/dbraw/zinc/35/70/41/439357041.db2.gz OAMSBESKPIFCIA-CHWSQXEVSA-N 1 3 336.436 0.808 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529357273 439412152 /nfs/dbraw/zinc/41/21/52/439412152.db2.gz MIUDAPIUPQJQTK-LSDHHAIUSA-N 1 3 349.479 0.219 20 0 ECADHO CC(C)[C@H]1CN(C)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000606694464 439421984 /nfs/dbraw/zinc/42/19/84/439421984.db2.gz XEAMMEBXQYCDDX-QGZVFWFLSA-N 1 3 339.528 0.996 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000583216130 439437639 /nfs/dbraw/zinc/43/76/39/439437639.db2.gz BAGGCGJJUNHVSD-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000583216130 439437643 /nfs/dbraw/zinc/43/76/43/439437643.db2.gz BAGGCGJJUNHVSD-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000607280717 439448855 /nfs/dbraw/zinc/44/88/55/439448855.db2.gz MDLSZBVYFKXPBP-FMKPAKJESA-N 1 3 336.480 0.800 20 0 ECADHO CCN(C)C[C@@H](O)C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000570939162 439462221 /nfs/dbraw/zinc/46/22/21/439462221.db2.gz DIQOKWXMZNSRLW-QGZVFWFLSA-N 1 3 340.512 0.175 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ncccc1N(C)C ZINC000583474164 439469499 /nfs/dbraw/zinc/46/94/99/439469499.db2.gz DNMQTQAZIZMYAC-UHFFFAOYSA-N 1 3 336.484 0.782 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000571420178 439503149 /nfs/dbraw/zinc/50/31/49/439503149.db2.gz FWQNHPWAUMXABA-IRXDYDNUSA-N 1 3 332.448 0.796 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000571420178 439503152 /nfs/dbraw/zinc/50/31/52/439503152.db2.gz FWQNHPWAUMXABA-IRXDYDNUSA-N 1 3 332.448 0.796 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000594435414 439561132 /nfs/dbraw/zinc/56/11/32/439561132.db2.gz CGVJWRAGGSFRDU-CRAIPNDOSA-N 1 3 337.464 0.767 20 0 ECADHO CCN1CCN(C(=O)[C@@H](C)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000572164195 439563058 /nfs/dbraw/zinc/56/30/58/439563058.db2.gz URILBHJEVJPCHW-OIISXLGYSA-N 1 3 338.496 0.367 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000572386286 439579264 /nfs/dbraw/zinc/57/92/64/439579264.db2.gz CAQXYYQIELLGLV-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000573346256 439641123 /nfs/dbraw/zinc/64/11/23/439641123.db2.gz FSTFMTQJHHCJEV-HOTGVXAUSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC[N@@H+]1C ZINC000573684852 439662100 /nfs/dbraw/zinc/66/21/00/439662100.db2.gz PPHDOBQIEWFQBG-UKPHBRMFSA-N 1 3 344.459 0.670 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC[N@H+]1C ZINC000573684852 439662104 /nfs/dbraw/zinc/66/21/04/439662104.db2.gz PPHDOBQIEWFQBG-UKPHBRMFSA-N 1 3 344.459 0.670 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000611651983 439714650 /nfs/dbraw/zinc/71/46/50/439714650.db2.gz XYKNSAGHXVFRED-VNHYZAJKSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000611651983 439714652 /nfs/dbraw/zinc/71/46/52/439714652.db2.gz XYKNSAGHXVFRED-VNHYZAJKSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000611651981 439714886 /nfs/dbraw/zinc/71/48/86/439714886.db2.gz XYKNSAGHXVFRED-NFAWXSAZSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000611651981 439714891 /nfs/dbraw/zinc/71/48/91/439714891.db2.gz XYKNSAGHXVFRED-NFAWXSAZSA-N 1 3 336.480 0.574 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000574629666 439716330 /nfs/dbraw/zinc/71/63/30/439716330.db2.gz FJOKSUBZPXYGBX-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000574629666 439716333 /nfs/dbraw/zinc/71/63/33/439716333.db2.gz FJOKSUBZPXYGBX-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCCC1 ZINC000595261239 439683017 /nfs/dbraw/zinc/68/30/17/439683017.db2.gz NADCCRASMHHOMV-KGLIPLIRSA-N 1 3 337.468 0.204 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000595263603 439685236 /nfs/dbraw/zinc/68/52/36/439685236.db2.gz HJKZCWCNBKOMOW-HUUCEWRRSA-N 1 3 337.468 0.204 20 0 ECADHO C[C@H]1CCN(CC(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000574216318 439690910 /nfs/dbraw/zinc/69/09/10/439690910.db2.gz GCNBFLXYCROSCE-HNNXBMFYSA-N 1 3 346.475 0.936 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)ccn1 ZINC000612974282 439747392 /nfs/dbraw/zinc/74/73/92/439747392.db2.gz FFRQJKSXADGOML-OAHLLOKOSA-N 1 3 347.463 0.963 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000612547040 439726749 /nfs/dbraw/zinc/72/67/49/439726749.db2.gz YMDKEDVLXAJYGQ-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000612547040 439726751 /nfs/dbraw/zinc/72/67/51/439726751.db2.gz YMDKEDVLXAJYGQ-HRCADAONSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000636441572 439880935 /nfs/dbraw/zinc/88/09/35/439880935.db2.gz MLCNJZHWABOCMV-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662687424 439845221 /nfs/dbraw/zinc/84/52/21/439845221.db2.gz XXZVYZGWTHJHTM-CABCVRRESA-N 1 3 332.404 0.154 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662687432 439846678 /nfs/dbraw/zinc/84/66/78/439846678.db2.gz XXZVYZGWTHJHTM-LSDHHAIUSA-N 1 3 332.404 0.154 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662692294 439848986 /nfs/dbraw/zinc/84/89/86/439848986.db2.gz CSVFGJBEQAGTHV-HUUCEWRRSA-N 1 3 334.468 0.880 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)C1CC1 ZINC000626803541 439886161 /nfs/dbraw/zinc/88/61/61/439886161.db2.gz HODGJEOMEIFLEN-OAHLLOKOSA-N 1 3 346.431 0.564 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000636466017 439893013 /nfs/dbraw/zinc/89/30/13/439893013.db2.gz SMCIBEPJJPTCBC-MRXNPFEDSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)[C@@H]2C1 ZINC000662807195 439898987 /nfs/dbraw/zinc/89/89/87/439898987.db2.gz XLERXKLDSQJDDR-IJEWVQPXSA-N 1 3 332.452 0.759 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652673297 439911817 /nfs/dbraw/zinc/91/18/17/439911817.db2.gz KIQMHPSOZDDBDF-CABCVRRESA-N 1 3 338.496 0.810 20 0 ECADHO NC(C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(F)(F)F ZINC000662861187 439916441 /nfs/dbraw/zinc/91/64/41/439916441.db2.gz YAXISHGKZNFWOE-STQMWFEESA-N 1 3 331.338 0.759 20 0 ECADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000641801834 439916426 /nfs/dbraw/zinc/91/64/26/439916426.db2.gz FPZVJZJNTCQEIH-GJZGRUSLSA-N 1 3 331.464 0.836 20 0 ECADHO NC(C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C(F)(F)F ZINC000662861187 439916447 /nfs/dbraw/zinc/91/64/47/439916447.db2.gz YAXISHGKZNFWOE-STQMWFEESA-N 1 3 331.338 0.759 20 0 ECADHO C[NH2+]CCOCCNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000626867193 439921997 /nfs/dbraw/zinc/92/19/97/439921997.db2.gz QCDGKIPASMSJTK-UHFFFAOYSA-N 1 3 336.436 0.347 20 0 ECADHO CN(C)Cc1ccccc1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631909674 439970572 /nfs/dbraw/zinc/97/05/72/439970572.db2.gz LOWNEMOBMQOJOL-UHFFFAOYSA-N 1 3 340.493 0.766 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642330461 439971694 /nfs/dbraw/zinc/97/16/94/439971694.db2.gz LOXCVAYEBUTOGJ-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626971896 439976331 /nfs/dbraw/zinc/97/63/31/439976331.db2.gz ULTOQTSHFBEPGP-UHFFFAOYSA-N 1 3 342.484 0.683 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000642439756 439981476 /nfs/dbraw/zinc/98/14/76/439981476.db2.gz OHSWTVTYZWWYOT-CAOSSQGBSA-N 1 3 336.480 0.481 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CCN(C)C)C[NH2+]1 ZINC000626891869 439942398 /nfs/dbraw/zinc/94/23/98/439942398.db2.gz COBNHBDMAWWOLD-DZGCQCFKSA-N 1 3 332.448 0.986 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)Cc1ccccc1 ZINC000642094930 439950158 /nfs/dbraw/zinc/95/01/58/439950158.db2.gz UVOZJLBIWRAOHX-MRXNPFEDSA-N 1 3 346.475 0.615 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662946402 439962984 /nfs/dbraw/zinc/96/29/84/439962984.db2.gz SLLOWUKMGTUYOO-UHFFFAOYSA-N 1 3 340.493 0.834 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000636619651 439964782 /nfs/dbraw/zinc/96/47/82/439964782.db2.gz JOUJXUSYDMDYRP-GDBMZVCRSA-N 1 3 338.496 0.966 20 0 ECADHO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663015499 439989610 /nfs/dbraw/zinc/98/96/10/439989610.db2.gz OGDGHLMCGFPGJO-KGLIPLIRSA-N 1 3 334.468 0.381 20 0 ECADHO CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016688 439990632 /nfs/dbraw/zinc/99/06/32/439990632.db2.gz DTVVAIGQWLXWLV-LSDHHAIUSA-N 1 3 348.495 0.913 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000642644474 439995914 /nfs/dbraw/zinc/99/59/14/439995914.db2.gz NRKOJEJCELMKKB-BZUAXINKSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000642724515 440016884 /nfs/dbraw/zinc/01/68/84/440016884.db2.gz SSUQTCFUSPNFIU-BBRMVZONSA-N 1 3 338.496 0.857 20 0 ECADHO CN(CCN1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000627248504 440065531 /nfs/dbraw/zinc/06/55/31/440065531.db2.gz LWQGIFINPVTYNM-GOSISDBHSA-N 1 3 345.491 0.808 20 0 ECADHO C[NH+](C)CC[C@@H](N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000653111332 440066946 /nfs/dbraw/zinc/06/69/46/440066946.db2.gz MJOIKNHAGLEWBI-CQSZACIVSA-N 1 3 328.526 0.743 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653115432 440071022 /nfs/dbraw/zinc/07/10/22/440071022.db2.gz OSWKBTFOCNKIIT-XHSDSOJGSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636870835 440073256 /nfs/dbraw/zinc/07/32/56/440073256.db2.gz DFMCJGAZJKNXMU-COXVUDFISA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636870835 440073262 /nfs/dbraw/zinc/07/32/62/440073262.db2.gz DFMCJGAZJKNXMU-COXVUDFISA-N 1 3 348.491 0.718 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000643014597 440080550 /nfs/dbraw/zinc/08/05/50/440080550.db2.gz IVSGKYPJBPVJNO-TWMKSMIVSA-N 1 3 348.491 0.578 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000632025583 440044323 /nfs/dbraw/zinc/04/43/23/440044323.db2.gz MFMNGBTVCMQRTJ-BRWVUGGUSA-N 1 3 349.479 0.768 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000642890246 440050967 /nfs/dbraw/zinc/05/09/67/440050967.db2.gz IJBGOKALOASZNU-CABCVRRESA-N 1 3 336.480 0.849 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000637019990 440133104 /nfs/dbraw/zinc/13/31/04/440133104.db2.gz QUOXKQZXTBEMPS-ZBFHGGJFSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000637019990 440133112 /nfs/dbraw/zinc/13/31/12/440133112.db2.gz QUOXKQZXTBEMPS-ZBFHGGJFSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000647597416 440100549 /nfs/dbraw/zinc/10/05/49/440100549.db2.gz LUMRFLAIXGGIHS-YQQAZPJKSA-N 1 3 346.475 0.961 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000627312280 440115981 /nfs/dbraw/zinc/11/59/81/440115981.db2.gz VJXSYMHOSICYOO-QLFBSQMISA-N 1 3 338.496 0.870 20 0 ECADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478933 440179205 /nfs/dbraw/zinc/17/92/05/440179205.db2.gz QZGYNQHJYCCHSM-OAHLLOKOSA-N 1 3 345.447 0.318 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643492885 440185507 /nfs/dbraw/zinc/18/55/07/440185507.db2.gz YANMUAQNHHYMNM-HRCADAONSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000647905700 440188502 /nfs/dbraw/zinc/18/85/02/440188502.db2.gz ZUOHJJBYTRWNHX-IKGGRYGDSA-N 1 3 338.496 0.287 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C[C@@H]1C[NH3+] ZINC000643498916 440188727 /nfs/dbraw/zinc/18/87/27/440188727.db2.gz VUKVICBIJNEZSK-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO CCCN(C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2)[C@@H]1CC[NH2+]C1 ZINC000643591278 440215517 /nfs/dbraw/zinc/21/55/17/440215517.db2.gz LIBZWVZOHICCAS-QAPCUYQASA-N 1 3 336.480 0.531 20 0 ECADHO COCC[N@H+](C)C[C@H](O)CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000653624090 440219411 /nfs/dbraw/zinc/21/94/11/440219411.db2.gz XFRNDFBERALDBN-KSSFIOAISA-N 1 3 333.432 0.521 20 0 ECADHO COCC[N@@H+](C)C[C@H](O)CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000653624090 440219413 /nfs/dbraw/zinc/21/94/13/440219413.db2.gz XFRNDFBERALDBN-KSSFIOAISA-N 1 3 333.432 0.521 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659080175 440231040 /nfs/dbraw/zinc/23/10/40/440231040.db2.gz QIAOTXBQAPCFTL-MRXNPFEDSA-N 1 3 348.447 0.744 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000648106796 440231557 /nfs/dbraw/zinc/23/15/57/440231557.db2.gz XWVHDCCVLAZMED-LBPRGKRZSA-N 1 3 327.392 0.323 20 0 ECADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648165150 440248381 /nfs/dbraw/zinc/24/83/81/440248381.db2.gz KGUJTBMKOOOVSO-BDXSIMOUSA-N 1 3 329.444 0.859 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000664189922 440254335 /nfs/dbraw/zinc/25/43/35/440254335.db2.gz BLUSOYSNFDGKCG-SOUVJXGZSA-N 1 3 341.500 0.602 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000664189922 440254339 /nfs/dbraw/zinc/25/43/39/440254339.db2.gz BLUSOYSNFDGKCG-SOUVJXGZSA-N 1 3 341.500 0.602 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659106483 440252127 /nfs/dbraw/zinc/25/21/27/440252127.db2.gz QDJUGLKCUWHDTQ-UHFFFAOYSA-N 1 3 330.432 0.863 20 0 ECADHO CCC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000664447184 440311032 /nfs/dbraw/zinc/31/10/32/440311032.db2.gz ITFXBFFVXVKHOI-LSDHHAIUSA-N 1 3 341.500 0.569 20 0 ECADHO CCC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000664447184 440311038 /nfs/dbraw/zinc/31/10/38/440311038.db2.gz ITFXBFFVXVKHOI-LSDHHAIUSA-N 1 3 341.500 0.569 20 0 ECADHO CN1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[C@@H](CN)C1 ZINC000659580462 440368724 /nfs/dbraw/zinc/36/87/24/440368724.db2.gz BQKOUULTVZQNIC-GVDBMIGSSA-N 1 3 349.454 0.556 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)cc1 ZINC000637717167 440327940 /nfs/dbraw/zinc/32/79/40/440327940.db2.gz FADFULPWDSXHKW-BZSNNMDCSA-N 1 3 346.475 0.886 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1O ZINC000664576837 440331589 /nfs/dbraw/zinc/33/15/89/440331589.db2.gz LGLXCFWAVAYLGM-IRXDYDNUSA-N 1 3 347.463 0.614 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659681066 440416601 /nfs/dbraw/zinc/41/66/01/440416601.db2.gz OXNIUFXSFFLSBY-WCVJEAGWSA-N 1 3 338.496 0.809 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659688786 440422456 /nfs/dbraw/zinc/42/24/56/440422456.db2.gz KLYGHNVENBSYOF-CQSZACIVSA-N 1 3 326.485 0.953 20 0 ECADHO CCn1ncnc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664794654 440376724 /nfs/dbraw/zinc/37/67/24/440376724.db2.gz OCKAFCKDJAUCMM-ZDUSSCGKSA-N 1 3 325.461 0.369 20 0 ECADHO CCn1ncnc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664794654 440376730 /nfs/dbraw/zinc/37/67/30/440376730.db2.gz OCKAFCKDJAUCMM-ZDUSSCGKSA-N 1 3 325.461 0.369 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659625303 440379572 /nfs/dbraw/zinc/37/95/72/440379572.db2.gz QXZLVDQATGTEOQ-OAHLLOKOSA-N 1 3 339.484 0.309 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000659628448 440380706 /nfs/dbraw/zinc/38/07/06/440380706.db2.gz DXGATEBPUPUJLH-NEPJUHHUSA-N 1 3 334.424 0.172 20 0 ECADHO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)CC1 ZINC000659629874 440381642 /nfs/dbraw/zinc/38/16/42/440381642.db2.gz BGAXMONZHKXCPB-CYBMUJFWSA-N 1 3 348.451 0.514 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000659641062 440389440 /nfs/dbraw/zinc/38/94/40/440389440.db2.gz QJZQRKDCSOSGEI-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO CN1CCC(n2cc(NC(=O)NCCCN3CC[NH2+]CC3)cn2)CC1 ZINC000632963422 440396924 /nfs/dbraw/zinc/39/69/24/440396924.db2.gz XHEXRERXQLRAAB-UHFFFAOYSA-N 1 3 349.483 0.567 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CC3CC2(CN)C3)CCCCCC1 ZINC000659678174 440412340 /nfs/dbraw/zinc/41/23/40/440412340.db2.gz WXUJNPHQMFYSIE-UHFFFAOYSA-N 1 3 336.480 0.707 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000659678682 440414344 /nfs/dbraw/zinc/41/43/44/440414344.db2.gz NNQIADPOUPXBJR-UHFFFAOYSA-N 1 3 336.480 0.709 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)o1 ZINC000659740522 440476151 /nfs/dbraw/zinc/47/61/51/440476151.db2.gz CDQYLTDPEMKMAT-UHFFFAOYSA-N 1 3 348.447 0.346 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649342620 440476320 /nfs/dbraw/zinc/47/63/20/440476320.db2.gz DJCFJGLUVAKFGE-WMZOPIPTSA-N 1 3 346.475 0.819 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000649342620 440476325 /nfs/dbraw/zinc/47/63/25/440476325.db2.gz DJCFJGLUVAKFGE-WMZOPIPTSA-N 1 3 346.475 0.819 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000638091486 440434264 /nfs/dbraw/zinc/43/42/64/440434264.db2.gz WBLDQCAFLSMAEF-KRWDZBQOSA-N 1 3 344.463 0.843 20 0 ECADHO CN(C(=O)CN1CC[NH2+]CC1)C1CCN(CCc2ccccn2)CC1 ZINC000638089694 440435329 /nfs/dbraw/zinc/43/53/29/440435329.db2.gz XESNHLMAKLRHGY-UHFFFAOYSA-N 1 3 345.491 0.452 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC000628215298 440435832 /nfs/dbraw/zinc/43/58/32/440435832.db2.gz DVSQXJGZALRIOG-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC000628215298 440435835 /nfs/dbraw/zinc/43/58/35/440435835.db2.gz DVSQXJGZALRIOG-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)C1)[NH+](C)C ZINC000628215887 440436110 /nfs/dbraw/zinc/43/61/10/440436110.db2.gz XJTGBXRYKZURMQ-QLFBSQMISA-N 1 3 326.485 0.774 20 0 ECADHO COCCN1CC[C@@H](NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638099765 440436819 /nfs/dbraw/zinc/43/68/19/440436819.db2.gz IQBBJMBACVEVNT-IAGOWNOFSA-N 1 3 334.464 0.283 20 0 ECADHO COCCN1CC[C@@H](NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638099765 440436824 /nfs/dbraw/zinc/43/68/24/440436824.db2.gz IQBBJMBACVEVNT-IAGOWNOFSA-N 1 3 334.464 0.283 20 0 ECADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2(N3CCCC3)CCOCC2)C1 ZINC000638103218 440437350 /nfs/dbraw/zinc/43/73/50/440437350.db2.gz ZEXPMTUWTUNJOZ-GDBMZVCRSA-N 1 3 325.453 0.515 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633101778 440445486 /nfs/dbraw/zinc/44/54/86/440445486.db2.gz YIJKFNDYXRSFFI-OAGGEKHMSA-N 1 3 336.480 0.802 20 0 ECADHO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000633104810 440447988 /nfs/dbraw/zinc/44/79/88/440447988.db2.gz DBZZXIIBVWHYHQ-OAHLLOKOSA-N 1 3 336.480 0.803 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000638136791 440455584 /nfs/dbraw/zinc/45/55/84/440455584.db2.gz BCRMZKLSBVJKQK-MSOLQXFVSA-N 1 3 346.475 0.427 20 0 ECADHO CC(C)([NH3+])CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659720622 440456464 /nfs/dbraw/zinc/45/64/64/440456464.db2.gz VFNJGYRLKDAYJC-UHFFFAOYSA-N 1 3 347.463 0.263 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000633139023 440459347 /nfs/dbraw/zinc/45/93/47/440459347.db2.gz GEAOAMZLGDDAQE-HYVNUMGLSA-N 1 3 344.459 0.667 20 0 ECADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CNCCC3(F)F)CC2)C1 ZINC000649352981 440484347 /nfs/dbraw/zinc/48/43/47/440484347.db2.gz ZNODBAXHLKTCIQ-ZIAGYGMSSA-N 1 3 330.423 0.470 20 0 ECADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CNCCC3(F)F)CC2)C1 ZINC000649352981 440484353 /nfs/dbraw/zinc/48/43/53/440484353.db2.gz ZNODBAXHLKTCIQ-ZIAGYGMSSA-N 1 3 330.423 0.470 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(C)([NH3+])CC2)CC1=O ZINC000649357884 440484458 /nfs/dbraw/zinc/48/44/58/440484458.db2.gz SYALQMKSLUASJH-HUUCEWRRSA-N 1 3 336.480 0.659 20 0 ECADHO CC1(C)CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCN1 ZINC000638270641 440491777 /nfs/dbraw/zinc/49/17/77/440491777.db2.gz KEKSIDYWAXAGEN-UHFFFAOYSA-N 1 3 342.394 0.964 20 0 ECADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(CN3CCN(C)CC3)CC2)C1 ZINC000638276740 440492668 /nfs/dbraw/zinc/49/26/68/440492668.db2.gz PDKTWMRVKBDFHE-SJLPKXTDSA-N 1 3 338.496 0.239 20 0 ECADHO Cc1cccc(NC(=O)[C@@H]2CCCN(CCN3CC[NH2+]CC3)C2)n1 ZINC000649411553 440492764 /nfs/dbraw/zinc/49/27/64/440492764.db2.gz DYUZTYAWIULVLC-MRXNPFEDSA-N 1 3 331.464 0.946 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@](C)(CO)OC)CC2)CC1 ZINC000655218772 440505625 /nfs/dbraw/zinc/50/56/25/440505625.db2.gz SBHLVWMQWBLIIT-GOSISDBHSA-N 1 3 341.496 0.696 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCN(CC2CC2)CC1 ZINC000665638899 440511430 /nfs/dbraw/zinc/51/14/30/440511430.db2.gz FZCDFQSLHYJQIO-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO [NH3+]C1(CC(=O)NC[C@H]2CNCCO2)CCN(Cc2ccccc2)CC1 ZINC000638337198 440515597 /nfs/dbraw/zinc/51/55/97/440515597.db2.gz CRBZBDHGUUEFMQ-QGZVFWFLSA-N 1 3 346.475 0.475 20 0 ECADHO COC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H](C)O1 ZINC000665761760 440523785 /nfs/dbraw/zinc/52/37/85/440523785.db2.gz PFKSAHKHELBBPW-ARFHVFGLSA-N 1 3 344.500 0.704 20 0 ECADHO COC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H](C)O1 ZINC000665761760 440523792 /nfs/dbraw/zinc/52/37/92/440523792.db2.gz PFKSAHKHELBBPW-ARFHVFGLSA-N 1 3 344.500 0.704 20 0 ECADHO C[C@@H](C(=O)NC[C@H]1CCCN1C)[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000628647975 440525443 /nfs/dbraw/zinc/52/54/43/440525443.db2.gz XAWLDXUIJVRRCC-KLHDSHLOSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C(=O)NC[C@H]1CCCN1C)[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000628647975 440525450 /nfs/dbraw/zinc/52/54/50/440525450.db2.gz XAWLDXUIJVRRCC-KLHDSHLOSA-N 1 3 338.496 0.679 20 0 ECADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294993 440526396 /nfs/dbraw/zinc/52/63/96/440526396.db2.gz OAYNAXXZEMFHFQ-OWCLPIDISA-N 1 3 339.505 0.481 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000665761066 440526928 /nfs/dbraw/zinc/52/69/28/440526928.db2.gz WABUNKDDOGFMFQ-YESZJQIVSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)C[C@H](CO)C1 ZINC000665763922 440530798 /nfs/dbraw/zinc/53/07/98/440530798.db2.gz PCNGMYFEDXSMQG-JYJNAYRXSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)C[C@H](CO)C1 ZINC000665763922 440530804 /nfs/dbraw/zinc/53/08/04/440530804.db2.gz PCNGMYFEDXSMQG-JYJNAYRXSA-N 1 3 328.501 0.918 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000638527747 440562285 /nfs/dbraw/zinc/56/22/85/440562285.db2.gz XQOCWXUEXPSJDD-GOSISDBHSA-N 1 3 348.447 0.672 20 0 ECADHO CN1CCN(CC2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)CC1 ZINC000655468293 440565748 /nfs/dbraw/zinc/56/57/48/440565748.db2.gz ZHLXYDLHJFOKHB-IEBWSBKVSA-N 1 3 334.508 0.862 20 0 ECADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000660120165 440602980 /nfs/dbraw/zinc/60/29/80/440602980.db2.gz DQVOVOJZNKRVBT-JKSUJKDBSA-N 1 3 326.485 0.102 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000660120165 440602985 /nfs/dbraw/zinc/60/29/85/440602985.db2.gz DQVOVOJZNKRVBT-JKSUJKDBSA-N 1 3 326.485 0.102 20 0 ECADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655714347 440622035 /nfs/dbraw/zinc/62/20/35/440622035.db2.gz AYONCGXJNFBULK-WBVHZDCISA-N 1 3 338.496 0.417 20 0 ECADHO NCc1ccc2c(c1)N(C(=O)c1cn([C@@H]3CCC[NH2+]C3)nn1)CCO2 ZINC000638807546 440629662 /nfs/dbraw/zinc/62/96/62/440629662.db2.gz LHLGJJZWCRUDFP-CYBMUJFWSA-N 1 3 342.403 0.701 20 0 ECADHO CCC1([NH+]2CCCC2)CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000638861977 440637054 /nfs/dbraw/zinc/63/70/54/440637054.db2.gz JASXZMZNYBAQDZ-INIZCTEOSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)ccn1 ZINC000655923921 440647457 /nfs/dbraw/zinc/64/74/57/440647457.db2.gz YOLFPRTVDQHSKZ-LLVKDONJSA-N 1 3 349.357 0.711 20 0 ECADHO COC[C@H](C)OC[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000644601496 440654682 /nfs/dbraw/zinc/65/46/82/440654682.db2.gz LRXHNISCQQLYTP-HPBDAGMYSA-N 1 3 344.496 0.756 20 0 ECADHO COC[C@H](C)OC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000644601496 440654688 /nfs/dbraw/zinc/65/46/88/440654688.db2.gz LRXHNISCQQLYTP-HPBDAGMYSA-N 1 3 344.496 0.756 20 0 ECADHO CN1CCN(C[C@H](O)CNCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000644629854 440660200 /nfs/dbraw/zinc/66/02/00/440660200.db2.gz SIYFALPVORLURD-LJQANCHMSA-N 1 3 334.508 0.489 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655959957 440660917 /nfs/dbraw/zinc/66/09/17/440660917.db2.gz SWENAXKPRXNHEI-LLVKDONJSA-N 1 3 332.326 0.693 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC000639043574 440668331 /nfs/dbraw/zinc/66/83/31/440668331.db2.gz TWEDGRQPZSMTEY-KLHDSHLOSA-N 1 3 336.480 0.705 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](C[NH3+])c3ccccc32)CC1=O ZINC000639066952 440669252 /nfs/dbraw/zinc/66/92/52/440669252.db2.gz GNXHOGBTDJIPIY-CABCVRRESA-N 1 3 344.459 0.876 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000639057310 440669694 /nfs/dbraw/zinc/66/96/94/440669694.db2.gz LYMOGEKGSPNGMJ-INIZCTEOSA-N 1 3 326.529 0.837 20 0 ECADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000666663784 440670551 /nfs/dbraw/zinc/67/05/51/440670551.db2.gz QYEFFINNDCBOJU-UHFFFAOYSA-N 1 3 339.399 0.828 20 0 ECADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660586516 440684044 /nfs/dbraw/zinc/68/40/44/440684044.db2.gz YOONEBKZBVLHBO-HNNXBMFYSA-N 1 3 328.457 0.117 20 0 ECADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C3CC3)C2)CC1 ZINC000634704868 440692127 /nfs/dbraw/zinc/69/21/27/440692127.db2.gz QPSBGZMNTSDPDC-JQHSSLGASA-N 1 3 325.497 0.657 20 0 ECADHO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634702955 440692900 /nfs/dbraw/zinc/69/29/00/440692900.db2.gz NKSJFJWAPYBVKJ-QUCCMNQESA-N 1 3 346.519 0.849 20 0 ECADHO C[C@H](CN1CCN(C)CC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634702955 440692905 /nfs/dbraw/zinc/69/29/05/440692905.db2.gz NKSJFJWAPYBVKJ-QUCCMNQESA-N 1 3 346.519 0.849 20 0 ECADHO C[C@H](CN1CCN(C)CC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634702955 440692910 /nfs/dbraw/zinc/69/29/10/440692910.db2.gz NKSJFJWAPYBVKJ-QUCCMNQESA-N 1 3 346.519 0.849 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656025626 440696753 /nfs/dbraw/zinc/69/67/53/440696753.db2.gz OSCSHSKDFHAWMB-HOTGVXAUSA-N 1 3 334.464 0.546 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)CC1=O ZINC000644824775 440698879 /nfs/dbraw/zinc/69/88/79/440698879.db2.gz ZQQLAGWYVUBEAA-VQHPVUNQSA-N 1 3 348.491 0.482 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)CC1=O ZINC000644824775 440698885 /nfs/dbraw/zinc/69/88/85/440698885.db2.gz ZQQLAGWYVUBEAA-VQHPVUNQSA-N 1 3 348.491 0.482 20 0 ECADHO CS(=O)(=O)N1CCC([NH2+]CC[C@@H](N)Cc2ccccc2)CC1 ZINC000635006906 440731108 /nfs/dbraw/zinc/73/11/08/440731108.db2.gz NCDZXHWRMJMJEJ-OAHLLOKOSA-N 1 3 325.478 0.960 20 0 ECADHO O[C@@H](CNCc1ccccc1CN1CC[C@H](O)C1)C[NH+]1CCCC1 ZINC000629574898 440735317 /nfs/dbraw/zinc/73/53/17/440735317.db2.gz PTDFCVORFJKVTG-OALUTQOASA-N 1 3 333.476 0.800 20 0 ECADHO OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000629583396 440739025 /nfs/dbraw/zinc/73/90/25/440739025.db2.gz BDLFLEFLRAKWED-SLFFLAALSA-N 1 3 347.503 0.916 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000645122679 440750348 /nfs/dbraw/zinc/75/03/48/440750348.db2.gz CQMSVCLWWYWPFE-CYBMUJFWSA-N 1 3 337.468 0.375 20 0 ECADHO CC(=O)N(CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000639837772 440800642 /nfs/dbraw/zinc/80/06/42/440800642.db2.gz RXFCDJRRSBLOJH-UHFFFAOYSA-N 1 3 334.464 0.991 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629802571 440769033 /nfs/dbraw/zinc/76/90/33/440769033.db2.gz JFFKTPRWODCXME-JCGIZDLHSA-N 1 3 336.480 0.386 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)C2)C1 ZINC000629822614 440777834 /nfs/dbraw/zinc/77/78/34/440777834.db2.gz NQPSKLQKJLMVBE-CEXWTWQISA-N 1 3 348.491 0.389 20 0 ECADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656355600 440786875 /nfs/dbraw/zinc/78/68/75/440786875.db2.gz LUXJIZAQUVPLKQ-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[NH+]1CCN(CCCN(C)CC(=O)N2CCN(C)CC2)CC1 ZINC000640051496 440863631 /nfs/dbraw/zinc/86/36/31/440863631.db2.gz OGEDIMBLYXKNIQ-UHFFFAOYSA-N 1 3 339.528 0.108 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000635328792 440822270 /nfs/dbraw/zinc/82/22/70/440822270.db2.gz SOUHZZWHCCUQNK-JKSUJKDBSA-N 1 3 327.469 0.714 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000635328792 440822277 /nfs/dbraw/zinc/82/22/77/440822277.db2.gz SOUHZZWHCCUQNK-JKSUJKDBSA-N 1 3 327.469 0.714 20 0 ECADHO CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC000645621644 440868205 /nfs/dbraw/zinc/86/82/05/440868205.db2.gz IEZACCJZUGAAJZ-DOTOQJQBSA-N 1 3 344.459 0.892 20 0 ECADHO CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)n1 ZINC000662280462 441002399 /nfs/dbraw/zinc/00/23/99/441002399.db2.gz DUQXKUXJSRPCNA-ZDUSSCGKSA-N 1 3 333.444 0.358 20 0 ECADHO CC(C)(C)n1nnc(CC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)n1 ZINC000662280462 441002405 /nfs/dbraw/zinc/00/24/05/441002405.db2.gz DUQXKUXJSRPCNA-ZDUSSCGKSA-N 1 3 333.444 0.358 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000635857218 441009772 /nfs/dbraw/zinc/00/97/72/441009772.db2.gz ZFCMFWGKUGYIKK-INIZCTEOSA-N 1 3 329.485 0.914 20 0 ECADHO Cn1cc(CC[N@@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)cn1 ZINC000662338758 441015446 /nfs/dbraw/zinc/01/54/46/441015446.db2.gz VNOWBYIJXWSXSE-INIZCTEOSA-N 1 3 343.479 0.975 20 0 ECADHO Cn1cc(CC[N@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)cn1 ZINC000662338758 441015453 /nfs/dbraw/zinc/01/54/53/441015453.db2.gz VNOWBYIJXWSXSE-INIZCTEOSA-N 1 3 343.479 0.975 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652145353 441018041 /nfs/dbraw/zinc/01/80/41/441018041.db2.gz LOHNGZCJHNJCBB-ARFHVFGLSA-N 1 3 342.484 0.493 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652145356 441019791 /nfs/dbraw/zinc/01/97/91/441019791.db2.gz LOHNGZCJHNJCBB-XHSDSOJGSA-N 1 3 342.484 0.493 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662390745 441027023 /nfs/dbraw/zinc/02/70/23/441027023.db2.gz QAFDMHPCBCXTRL-UHFFFAOYSA-N 1 3 342.447 0.940 20 0 ECADHO [NH3+]CCn1cc(C(=O)NCC2(N3CCCCC3)CCOCC2)nn1 ZINC000662455675 441044707 /nfs/dbraw/zinc/04/47/07/441044707.db2.gz NXFFGQVHJMZJHW-UHFFFAOYSA-N 1 3 336.440 0.002 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1=O ZINC000652361853 441059618 /nfs/dbraw/zinc/05/96/18/441059618.db2.gz REHOSLCTKSLWKT-MJBXVCDLSA-N 1 3 338.452 0.678 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCn2nc3ccccn3c2=O)C1 ZINC000652362121 441060627 /nfs/dbraw/zinc/06/06/27/441060627.db2.gz YKAGBIMVIUDHBD-OAGGEKHMSA-N 1 3 345.447 0.857 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000641425605 441116936 /nfs/dbraw/zinc/11/69/36/441116936.db2.gz QCBAHLRQUHPWJT-MRXNPFEDSA-N 1 3 333.480 0.793 20 0 ECADHO C[C@@H](Cn1cncn1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000657865495 441078406 /nfs/dbraw/zinc/07/84/06/441078406.db2.gz ZDMQJWJMGMBSQX-INIZCTEOSA-N 1 3 329.452 0.864 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000339633756 320991716 /nfs/dbraw/zinc/99/17/16/320991716.db2.gz WPVCVUYVKCLUDU-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000340203075 321020563 /nfs/dbraw/zinc/02/05/63/321020563.db2.gz HQPDSEADZMHVEM-MRXNPFEDSA-N 1 3 338.496 0.683 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000340203075 321020565 /nfs/dbraw/zinc/02/05/65/321020565.db2.gz HQPDSEADZMHVEM-MRXNPFEDSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@H]1CCN(C)CCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340254252 321029683 /nfs/dbraw/zinc/02/96/83/321029683.db2.gz OXCSLTLGXIVDAE-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000340262017 321031935 /nfs/dbraw/zinc/03/19/35/321031935.db2.gz LGAGGPNJXATUCK-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340422049 321043119 /nfs/dbraw/zinc/04/31/19/321043119.db2.gz CBHPLJPCMLSQRU-CZUORRHYSA-N 1 3 344.525 0.386 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340422049 321043121 /nfs/dbraw/zinc/04/31/21/321043121.db2.gz CBHPLJPCMLSQRU-CZUORRHYSA-N 1 3 344.525 0.386 20 0 ECADHO COCCN(CC[NH+](C)C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000341242226 321052671 /nfs/dbraw/zinc/05/26/71/321052671.db2.gz ZWBHOXLVEUTQCG-INIZCTEOSA-N 1 3 343.516 0.090 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000343022546 321117957 /nfs/dbraw/zinc/11/79/57/321117957.db2.gz ISFBIPPMSPLZNG-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343044685 321118982 /nfs/dbraw/zinc/11/89/82/321118982.db2.gz WWWBSFQYQORENK-ROUUACIJSA-N 1 3 328.460 0.767 20 0 ECADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343044685 321118984 /nfs/dbraw/zinc/11/89/84/321118984.db2.gz WWWBSFQYQORENK-ROUUACIJSA-N 1 3 328.460 0.767 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000343158972 321125831 /nfs/dbraw/zinc/12/58/31/321125831.db2.gz VCKHHQOLQXIGNA-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000343158972 321125833 /nfs/dbraw/zinc/12/58/33/321125833.db2.gz VCKHHQOLQXIGNA-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1CC1 ZINC000343313330 321132607 /nfs/dbraw/zinc/13/26/07/321132607.db2.gz RPDDKIUUWYEGIL-AWEZNQCLSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)C[N@@H+]1C1CC1 ZINC000346114173 321214682 /nfs/dbraw/zinc/21/46/82/321214682.db2.gz UADALBRSKSTTSO-JKIFEVAISA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)C[N@H+]1C1CC1 ZINC000346114173 321214684 /nfs/dbraw/zinc/21/46/84/321214684.db2.gz UADALBRSKSTTSO-JKIFEVAISA-N 1 3 348.491 0.861 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000347531712 321242947 /nfs/dbraw/zinc/24/29/47/321242947.db2.gz VMKPCNUFFCJJJS-MRXNPFEDSA-N 1 3 342.553 0.908 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000347531712 321242945 /nfs/dbraw/zinc/24/29/45/321242945.db2.gz VMKPCNUFFCJJJS-MRXNPFEDSA-N 1 3 342.553 0.908 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000347531712 321242949 /nfs/dbraw/zinc/24/29/49/321242949.db2.gz VMKPCNUFFCJJJS-MRXNPFEDSA-N 1 3 342.553 0.908 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000347958282 321259046 /nfs/dbraw/zinc/25/90/46/321259046.db2.gz DWWJAXNCXYWTLP-HZSPNIEDSA-N 1 3 326.485 0.678 20 0 ECADHO CN1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@H]2CCC[C@@H]21 ZINC000353527269 321398028 /nfs/dbraw/zinc/39/80/28/321398028.db2.gz CACXAVROTAWTFJ-QYZOEREBSA-N 1 3 338.540 0.839 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000531357896 322039288 /nfs/dbraw/zinc/03/92/88/322039288.db2.gz LYIIGRBVQWUBDU-AWEZNQCLSA-N 1 3 326.485 0.585 20 0 ECADHO C[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1C ZINC000559351859 322218931 /nfs/dbraw/zinc/21/89/31/322218931.db2.gz HHDACIBTLNRPCB-BZUAXINKSA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000562692448 322281384 /nfs/dbraw/zinc/28/13/84/322281384.db2.gz LISJNFSDBSYVAK-INIZCTEOSA-N 1 3 338.496 0.753 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCOCCO)CC2)CC1 ZINC000563388973 322313730 /nfs/dbraw/zinc/31/37/30/322313730.db2.gz OEQUVRTYXHCJIT-UHFFFAOYSA-N 1 3 341.496 0.698 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000563545571 322327617 /nfs/dbraw/zinc/32/76/17/322327617.db2.gz FBDYVRROVRFISE-BZUAXINKSA-N 1 3 325.501 0.639 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563620357 322334108 /nfs/dbraw/zinc/33/41/08/322334108.db2.gz IXYXJXCCAZANLL-RBSFLKMASA-N 1 3 338.496 0.585 20 0 ECADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CC1(C)C ZINC000564821260 322395633 /nfs/dbraw/zinc/39/56/33/322395633.db2.gz HGKALJUQRKKPQG-CABCVRRESA-N 1 3 340.512 0.879 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCC3(C[NH+](C)C)CCCC3)C[C@H]2N)cn1 ZINC000564842111 322398038 /nfs/dbraw/zinc/39/80/38/322398038.db2.gz YHDMZUIRLWOCNY-JKSUJKDBSA-N 1 3 348.495 0.978 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000564923169 322408001 /nfs/dbraw/zinc/40/80/01/322408001.db2.gz LMGQERUPXBWZLN-UONOGXRCSA-N 1 3 335.452 0.309 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000565254394 322446535 /nfs/dbraw/zinc/44/65/35/322446535.db2.gz NLBYVGQAZDDVBD-CABCVRRESA-N 1 3 338.496 0.809 20 0 ECADHO CCc1csc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000565753726 322475209 /nfs/dbraw/zinc/47/52/09/322475209.db2.gz XXIFRJLKWOQTFB-UHFFFAOYSA-N 1 3 341.481 0.596 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000566092049 322499684 /nfs/dbraw/zinc/49/96/84/322499684.db2.gz ZAAXONNEVJOLPI-HNNXBMFYSA-N 1 3 326.485 0.764 20 0 ECADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000566258349 322519490 /nfs/dbraw/zinc/51/94/90/322519490.db2.gz SRSWBFKQEOZJQM-YOEHRIQHSA-N 1 3 340.431 0.901 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000566724269 322550649 /nfs/dbraw/zinc/55/06/49/322550649.db2.gz DUGJMANNDOJOGY-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CCCN1CCC(N(C)C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000567971352 322607987 /nfs/dbraw/zinc/60/79/87/322607987.db2.gz AZPSYSBPQKAVTB-CQSZACIVSA-N 1 3 334.468 0.977 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000569573833 322657894 /nfs/dbraw/zinc/65/78/94/322657894.db2.gz BUAOAPDSPZPCRR-GXTWGEPZSA-N 1 3 348.447 0.891 20 0 ECADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN2CCC1CC2 ZINC000571789172 322733636 /nfs/dbraw/zinc/73/36/36/322733636.db2.gz JQMANVNDJCVCGD-SJORKVTESA-N 1 3 336.480 0.854 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000573983181 322771324 /nfs/dbraw/zinc/77/13/24/322771324.db2.gz MZSVKRXAQKNZSS-HRCADAONSA-N 1 3 338.496 0.666 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000339669973 517657170 /nfs/dbraw/zinc/65/71/70/517657170.db2.gz YZJOINAAVDDNAX-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCC(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC1 ZINC000262499874 536334886 /nfs/dbraw/zinc/33/48/86/536334886.db2.gz AVNBOYFEJMJWCC-UHFFFAOYSA-N 1 3 340.449 0.204 20 0 ECADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCN1CCC(OC)CC1 ZINC000080125867 545699113 /nfs/dbraw/zinc/69/91/13/545699113.db2.gz BULXCNANJJGNHM-OAHLLOKOSA-N 1 3 342.484 0.507 20 0 ECADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCN1CCC(OC)CC1 ZINC000080125867 545699117 /nfs/dbraw/zinc/69/91/17/545699117.db2.gz BULXCNANJJGNHM-OAHLLOKOSA-N 1 3 342.484 0.507 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)nn1 ZINC000390761375 546193421 /nfs/dbraw/zinc/19/34/21/546193421.db2.gz BJMGFJGHEFWLHN-OAHLLOKOSA-N 1 3 328.420 0.631 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000621532001 546521255 /nfs/dbraw/zinc/52/12/55/546521255.db2.gz OOMGDQRMBKURCL-OWCLPIDISA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000621532001 546521257 /nfs/dbraw/zinc/52/12/57/546521257.db2.gz OOMGDQRMBKURCL-OWCLPIDISA-N 1 3 328.501 0.918 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622026037 546608488 /nfs/dbraw/zinc/60/84/88/546608488.db2.gz CCDLSTIZJBWZLC-KDOFPFPSSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000622163096 546641808 /nfs/dbraw/zinc/64/18/08/546641808.db2.gz ILZSUBWALAKREX-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000622163096 546641812 /nfs/dbraw/zinc/64/18/12/546641812.db2.gz ILZSUBWALAKREX-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO COc1ccc([C@H](CNc2nc(N)nc(N)n2)[NH+]2CCCCC2)cc1 ZINC000623797567 546843023 /nfs/dbraw/zinc/84/30/23/546843023.db2.gz ZKYJPPSSCOVPFF-AWEZNQCLSA-N 1 3 343.435 0.766 20 0 ECADHO CC[NH+](CC)CCOc1ccccc1CNc1nc(N)nc(N)n1 ZINC000623860896 546850640 /nfs/dbraw/zinc/85/06/40/546850640.db2.gz IICAOGDNEJMRLX-UHFFFAOYSA-N 1 3 331.424 0.451 20 0 ECADHO CC(C)Oc1ccc([C@H](CNc2nc(N)nc(N)n2)[NH+](C)C)cc1 ZINC000624222777 546892013 /nfs/dbraw/zinc/89/20/13/546892013.db2.gz FLQSSFHNLUPQOI-ZDUSSCGKSA-N 1 3 331.424 0.621 20 0 ECADHO Nc1nc(N)nc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000624408781 546919201 /nfs/dbraw/zinc/91/92/01/546919201.db2.gz FBIBDTVFWJJKCL-AWEZNQCLSA-N 1 3 339.447 0.833 20 0 ECADHO Nc1nc(N)nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000624408781 546919204 /nfs/dbraw/zinc/91/92/04/546919204.db2.gz FBIBDTVFWJJKCL-AWEZNQCLSA-N 1 3 339.447 0.833 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000625383221 547084794 /nfs/dbraw/zinc/08/47/94/547084794.db2.gz KSNDPXUIDNWKPN-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000658409006 547444392 /nfs/dbraw/zinc/44/43/92/547444392.db2.gz UKOKDTDCHMMNPZ-CHWSQXEVSA-N 1 3 347.460 0.121 20 0 ECADHO COc1ccc2ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)n2n1 ZINC000668302283 547615027 /nfs/dbraw/zinc/61/50/27/547615027.db2.gz CWAWLJONTAOORV-UHFFFAOYSA-N 1 3 334.424 0.303 20 0 ECADHO CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000668361615 547634726 /nfs/dbraw/zinc/63/47/26/547634726.db2.gz GOVFIGGXTBOGCS-OAHLLOKOSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000668361615 547634729 /nfs/dbraw/zinc/63/47/29/547634729.db2.gz GOVFIGGXTBOGCS-OAHLLOKOSA-N 1 3 336.480 0.720 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2CCNC2=O)cc1 ZINC000668641101 547710800 /nfs/dbraw/zinc/71/08/00/547710800.db2.gz XMASDXDBNWCSSY-HNNXBMFYSA-N 1 3 344.415 0.587 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000668657526 547715903 /nfs/dbraw/zinc/71/59/03/547715903.db2.gz RTIOFIGFQGVQSN-CQSZACIVSA-N 1 3 336.480 0.720 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000668657526 547715905 /nfs/dbraw/zinc/71/59/05/547715905.db2.gz RTIOFIGFQGVQSN-CQSZACIVSA-N 1 3 336.480 0.720 20 0 ECADHO [NH3+]C/C=C\CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000669430867 547889979 /nfs/dbraw/zinc/88/99/79/547889979.db2.gz LIMCCZOVFJQTLU-UPHRSURJSA-N 1 3 332.452 0.408 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669444080 547890348 /nfs/dbraw/zinc/89/03/48/547890348.db2.gz VHJSJIFNDVAHBH-GJZGRUSLSA-N 1 3 339.484 0.370 20 0 ECADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)NC1CCN(C2CC2)CC1 ZINC000671180085 548105448 /nfs/dbraw/zinc/10/54/48/548105448.db2.gz FHNACUQEBYNPJD-JKSUJKDBSA-N 1 3 334.464 0.472 20 0 ECADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC1CCN(C2CC2)CC1 ZINC000671180085 548105450 /nfs/dbraw/zinc/10/54/50/548105450.db2.gz FHNACUQEBYNPJD-JKSUJKDBSA-N 1 3 334.464 0.472 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000671849569 548234417 /nfs/dbraw/zinc/23/44/17/548234417.db2.gz ZCSVEXPLQHUYLN-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672310688 548307239 /nfs/dbraw/zinc/30/72/39/548307239.db2.gz DBQGUSITPMWMJN-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672310688 548307242 /nfs/dbraw/zinc/30/72/42/548307242.db2.gz DBQGUSITPMWMJN-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672310302 548307431 /nfs/dbraw/zinc/30/74/31/548307431.db2.gz OEASVLJPFGHEFL-DLBZAZTESA-N 1 3 348.491 0.674 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC[C@H]21 ZINC000672312465 548309005 /nfs/dbraw/zinc/30/90/05/548309005.db2.gz PRTCOVIEYXCXHJ-IXDOHACOSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC[C@H]21 ZINC000672312465 548309009 /nfs/dbraw/zinc/30/90/09/548309009.db2.gz PRTCOVIEYXCXHJ-IXDOHACOSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)C(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C ZINC000673287343 548477011 /nfs/dbraw/zinc/47/70/11/548477011.db2.gz ZALCCMOQDOPQAK-UHFFFAOYSA-N 1 3 328.501 0.735 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000685520880 549703545 /nfs/dbraw/zinc/70/35/45/549703545.db2.gz AKADZJCTACDJAR-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO CN(C)CCNC(=S)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000755400337 579432998 /nfs/dbraw/zinc/43/29/98/579432998.db2.gz ZFVYPOJDIFMXPH-XYPWUTKMSA-N 1 3 339.553 0.665 20 0 ECADHO CN(C)CCNC(=S)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000755400337 579432999 /nfs/dbraw/zinc/43/29/99/579432999.db2.gz ZFVYPOJDIFMXPH-XYPWUTKMSA-N 1 3 339.553 0.665 20 0 ECADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCN1CCC(O)CC1 ZINC000761575512 579529921 /nfs/dbraw/zinc/52/99/21/579529921.db2.gz XQKQPGUKWFQYCB-QGZVFWFLSA-N 1 3 341.496 0.743 20 0 ECADHO C[C@@H]1CN(C(=S)NCCC[NH+](C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000763306862 579558452 /nfs/dbraw/zinc/55/84/52/579558452.db2.gz YLWZQTMWQDQMOF-CVEARBPZSA-N 1 3 341.569 0.770 20 0 ECADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841052141 588977097 /nfs/dbraw/zinc/97/70/97/588977097.db2.gz ZWLGMIQWBWYSLI-ZDUSSCGKSA-N 1 3 334.420 0.563 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1c1ccccc1 ZINC000841790269 589001117 /nfs/dbraw/zinc/00/11/17/589001117.db2.gz BJOYHLNWLKMUPJ-ZJPYXAASSA-N 1 3 344.459 0.986 20 0 ECADHO NCc1cccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000841850875 589002857 /nfs/dbraw/zinc/00/28/57/589002857.db2.gz IDTSUMCEAZHCTO-CYBMUJFWSA-N 1 3 330.354 0.711 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N(C)CC(C)(C)C[NH+](C)C)CC1=O ZINC000890883022 586068658 /nfs/dbraw/zinc/06/86/58/586068658.db2.gz GMVPVPNQJGOFBC-AWEZNQCLSA-N 1 3 326.485 0.443 20 0 ECADHO CC[NH+](CC)CCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000891464250 586169896 /nfs/dbraw/zinc/16/98/96/586169896.db2.gz WGLGGZVEDVVUFM-HOTGVXAUSA-N 1 3 326.485 0.959 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(N)ccn3)C2)CC1 ZINC000891559618 586177695 /nfs/dbraw/zinc/17/76/95/586177695.db2.gz GHXUBNKYLLNURC-CQSZACIVSA-N 1 3 332.452 0.632 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cc(N)ccn3)C2)CC1 ZINC000891559618 586177697 /nfs/dbraw/zinc/17/76/97/586177697.db2.gz GHXUBNKYLLNURC-CQSZACIVSA-N 1 3 332.452 0.632 20 0 ECADHO C[C@@H](CNC(=O)N1CCCCC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000891603938 586181016 /nfs/dbraw/zinc/18/10/16/586181016.db2.gz TUFDNMQRYAHTAV-HOTGVXAUSA-N 1 3 325.501 0.783 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1(C)C ZINC000891880877 586202842 /nfs/dbraw/zinc/20/28/42/586202842.db2.gz OEYRXZLDHPOHKD-SHTZXODSSA-N 1 3 325.501 0.829 20 0 ECADHO CC[NH2+]CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000891996933 586213615 /nfs/dbraw/zinc/21/36/15/586213615.db2.gz MCYUFXYLLLXCRO-UHFFFAOYSA-N 1 3 325.457 0.111 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000892481042 586268686 /nfs/dbraw/zinc/26/86/86/586268686.db2.gz LORBIZBSNHAWJP-HUUCEWRRSA-N 1 3 326.485 0.911 20 0 ECADHO CC(C)C[C@H](NC(=O)NCCC(C)(C)[NH3+])C(=O)NCCN(C)C ZINC000892852692 586296366 /nfs/dbraw/zinc/29/63/66/586296366.db2.gz DLJQSWNSNGFSJD-ZDUSSCGKSA-N 1 3 329.489 0.506 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000897473079 586328722 /nfs/dbraw/zinc/32/87/22/586328722.db2.gz VKOAXKJUBSQTIP-UONOGXRCSA-N 1 3 325.457 0.090 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000897473079 586328723 /nfs/dbraw/zinc/32/87/23/586328723.db2.gz VKOAXKJUBSQTIP-UONOGXRCSA-N 1 3 325.457 0.090 20 0 ECADHO C[NH+]1CCC(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000893440711 586332212 /nfs/dbraw/zinc/33/22/12/586332212.db2.gz NIGXVYCEFBRZMW-INIZCTEOSA-N 1 3 345.509 0.455 20 0 ECADHO Cc1ccnc(N)c1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000894991511 586422896 /nfs/dbraw/zinc/42/28/96/586422896.db2.gz QCBJIABBXUIZKG-UHFFFAOYSA-N 1 3 333.480 0.858 20 0 ECADHO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000900612904 586645640 /nfs/dbraw/zinc/64/56/40/586645640.db2.gz GQECUNPITKJMPW-KRWDZBQOSA-N 1 3 339.528 0.155 20 0 ECADHO CC(C)[NH+]1CCN(CCC(=O)NC[C@@H](C)N2CCN(C)CC2)CC1 ZINC000900694633 586653647 /nfs/dbraw/zinc/65/36/47/586653647.db2.gz FMWHVDFOLCQLHT-QGZVFWFLSA-N 1 3 339.528 0.155 20 0 ECADHO CCO[C@@H](CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)CN(C)C ZINC000900691658 586657089 /nfs/dbraw/zinc/65/70/89/586657089.db2.gz OBYBPBKMUSCBPY-HOTGVXAUSA-N 1 3 329.485 0.863 20 0 ECADHO CC(C)N1CCN(CCC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000900714821 586658786 /nfs/dbraw/zinc/65/87/86/586658786.db2.gz XGPQDJQFAOOKBP-UHFFFAOYSA-N 1 3 340.512 0.630 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCCCC[NH3+] ZINC000843260376 589057889 /nfs/dbraw/zinc/05/78/89/589057889.db2.gz FKGXUVOGADYRJP-AWEZNQCLSA-N 1 3 326.485 0.858 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000902347958 586733836 /nfs/dbraw/zinc/73/38/36/586733836.db2.gz RIJZCNFEXVMKHJ-HNNXBMFYSA-N 1 3 331.526 0.863 20 0 ECADHO CC1(C)CNCC[C@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000902347958 586733838 /nfs/dbraw/zinc/73/38/38/586733838.db2.gz RIJZCNFEXVMKHJ-HNNXBMFYSA-N 1 3 331.526 0.863 20 0 ECADHO CCC[C@@H](C)NC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492265 586779623 /nfs/dbraw/zinc/77/96/23/586779623.db2.gz KUGKWQFCIBQUSE-MPZWGZMNSA-N 1 3 325.453 0.892 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N(C)Cc1ccccc1)C2 ZINC000903491102 586779728 /nfs/dbraw/zinc/77/97/28/586779728.db2.gz VFTNLPGKFGZLRZ-FCEWJHQRSA-N 1 3 345.443 0.857 20 0 ECADHO Cc1cc(NC(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)no1 ZINC000903511132 586780831 /nfs/dbraw/zinc/78/08/31/586780831.db2.gz PYQVIHAVCMSFDM-GASCZTMLSA-N 1 3 333.436 0.822 20 0 ECADHO Cc1cc(NC(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)no1 ZINC000903511132 586780834 /nfs/dbraw/zinc/78/08/34/586780834.db2.gz PYQVIHAVCMSFDM-GASCZTMLSA-N 1 3 333.436 0.822 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NC[C@@H]1CCCO1 ZINC000903507448 586783057 /nfs/dbraw/zinc/78/30/57/586783057.db2.gz ZZNQLRYOVUTDPM-BBWFWOEESA-N 1 3 336.480 0.182 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NC[C@@H]1CCCO1 ZINC000903507448 586783059 /nfs/dbraw/zinc/78/30/59/586783059.db2.gz ZZNQLRYOVUTDPM-BBWFWOEESA-N 1 3 336.480 0.182 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](N)C1 ZINC000903719648 586801101 /nfs/dbraw/zinc/80/11/01/586801101.db2.gz RRCVDNQJMKOPOY-GHMZBOCLSA-N 1 3 338.374 0.135 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@H]1CC[NH3+] ZINC000903732753 586803365 /nfs/dbraw/zinc/80/33/65/586803365.db2.gz WZSDPCCHVOJCIK-HUUCEWRRSA-N 1 3 338.496 0.763 20 0 ECADHO COC(=O)CCN(C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C[C@@H]1CCCO1 ZINC000903752606 586805457 /nfs/dbraw/zinc/80/54/57/586805457.db2.gz OFZSTDUHFPUJHO-UXLLHSPISA-N 1 3 326.437 0.799 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000903769708 586810168 /nfs/dbraw/zinc/81/01/68/586810168.db2.gz MJWGYEZLMZLPPR-CHUNWDLHSA-N 1 3 337.420 0.047 20 0 ECADHO NC(=O)Cc1cccc2c1CCN(C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903777361 586814263 /nfs/dbraw/zinc/81/42/63/586814263.db2.gz APBDQHPQHZBUBW-VQIMIIECSA-N 1 3 329.444 0.841 20 0 ECADHO COc1ccc([C@H](C[NH3+])CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1 ZINC000903827792 586818306 /nfs/dbraw/zinc/81/83/06/586818306.db2.gz XBMRSEKMYFMWLF-YUELXQCFSA-N 1 3 341.477 0.594 20 0 ECADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1 ZINC000903827792 586818308 /nfs/dbraw/zinc/81/83/08/586818308.db2.gz XBMRSEKMYFMWLF-YUELXQCFSA-N 1 3 341.477 0.594 20 0 ECADHO COc1ccc([C@H](CN)C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1 ZINC000903827792 586818309 /nfs/dbraw/zinc/81/83/09/586818309.db2.gz XBMRSEKMYFMWLF-YUELXQCFSA-N 1 3 341.477 0.594 20 0 ECADHO COC[C@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000903880945 586822715 /nfs/dbraw/zinc/82/27/15/586822715.db2.gz NMQMLDVAACOJIX-SJORKVTESA-N 1 3 334.464 0.326 20 0 ECADHO CCOC(=O)N1CCC(NCc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903921600 586826117 /nfs/dbraw/zinc/82/61/17/586826117.db2.gz QFYMWBHKYLWESN-CQSZACIVSA-N 1 3 336.440 0.913 20 0 ECADHO FC1(F)CCNC[C@H]1C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000903955966 586827809 /nfs/dbraw/zinc/82/78/09/586827809.db2.gz DGWDBVMXPDMTKU-HNNXBMFYSA-N 1 3 346.466 0.617 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnn(C)n1 ZINC000807568494 587132148 /nfs/dbraw/zinc/13/21/48/587132148.db2.gz XSKHJBQUTHEUOI-HNNXBMFYSA-N 1 3 337.472 0.373 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnn(C)n1 ZINC000807568494 587132150 /nfs/dbraw/zinc/13/21/50/587132150.db2.gz XSKHJBQUTHEUOI-HNNXBMFYSA-N 1 3 337.472 0.373 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000807777155 587136855 /nfs/dbraw/zinc/13/68/55/587136855.db2.gz LSJWGMNVXTTXHP-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000807777155 587136857 /nfs/dbraw/zinc/13/68/57/587136857.db2.gz LSJWGMNVXTTXHP-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO O=C(CCOC1CNC1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000818538651 587437838 /nfs/dbraw/zinc/43/78/38/587437838.db2.gz SLULIKTVWUATHK-UHFFFAOYSA-N 1 3 347.415 0.912 20 0 ECADHO CC[NH+]1CCN(Cc2ccc(CNCCS(C)(=O)=O)cc2)CC1 ZINC000818957502 587462031 /nfs/dbraw/zinc/46/20/31/587462031.db2.gz SSRGUEMJGUNTSF-UHFFFAOYSA-N 1 3 339.505 0.958 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844192347 589101833 /nfs/dbraw/zinc/10/18/33/589101833.db2.gz MSGGKDUUZMFRTN-AWEZNQCLSA-N 1 3 333.436 0.541 20 0 ECADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821584459 587602426 /nfs/dbraw/zinc/60/24/26/587602426.db2.gz FIHBDVMXPCZDGP-UHFFFAOYSA-N 1 3 348.455 0.540 20 0 ECADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821584459 587602428 /nfs/dbraw/zinc/60/24/28/587602428.db2.gz FIHBDVMXPCZDGP-UHFFFAOYSA-N 1 3 348.455 0.540 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000826822856 588085040 /nfs/dbraw/zinc/08/50/40/588085040.db2.gz JTDVBWURADJFEC-KBPBESRZSA-N 1 3 327.473 0.477 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000826822856 588085042 /nfs/dbraw/zinc/08/50/42/588085042.db2.gz JTDVBWURADJFEC-KBPBESRZSA-N 1 3 327.473 0.477 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000827319297 588112166 /nfs/dbraw/zinc/11/21/66/588112166.db2.gz BIYDBPSUIROYKD-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000827319297 588112167 /nfs/dbraw/zinc/11/21/67/588112167.db2.gz BIYDBPSUIROYKD-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000846343672 589197477 /nfs/dbraw/zinc/19/74/77/589197477.db2.gz MAFLSLWAOMRTKF-UHFFFAOYSA-N 1 3 346.475 0.748 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC000847487407 589251086 /nfs/dbraw/zinc/25/10/86/589251086.db2.gz FSESCORJWJKPSD-INIZCTEOSA-N 1 3 349.479 0.818 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cnn(C)n3)CC2)CC1 ZINC000848070783 589276590 /nfs/dbraw/zinc/27/65/90/589276590.db2.gz HRJHMJTZCIJBNW-UHFFFAOYSA-N 1 3 334.468 0.628 20 0 ECADHO CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000849111592 589320767 /nfs/dbraw/zinc/32/07/67/589320767.db2.gz WICSEZJJDLKDDG-OLZOCXBDSA-N 1 3 341.456 0.488 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000851690648 589415313 /nfs/dbraw/zinc/41/53/13/589415313.db2.gz GXXBRAGPNTVVKQ-FHERZECASA-N 1 3 338.496 0.951 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCCC3(CC[NH+](C)CC3)C2)C1=O ZINC000852009063 589437660 /nfs/dbraw/zinc/43/76/60/589437660.db2.gz XLHBRACWEKTYMF-HNNXBMFYSA-N 1 3 337.464 0.958 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000852863902 589519411 /nfs/dbraw/zinc/51/94/11/589519411.db2.gz KPNJRZVRNIXKGL-RBSFLKMASA-N 1 3 348.451 0.186 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nc(N(C)C)no1 ZINC000854050345 589569388 /nfs/dbraw/zinc/56/93/88/589569388.db2.gz ZTCJTAORJWCVSU-LBPRGKRZSA-N 1 3 341.460 0.207 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nc(N(C)C)no1 ZINC000854050345 589569389 /nfs/dbraw/zinc/56/93/89/589569389.db2.gz ZTCJTAORJWCVSU-LBPRGKRZSA-N 1 3 341.460 0.207 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867743298 589834406 /nfs/dbraw/zinc/83/44/06/589834406.db2.gz OXGXAUHKAZZXJM-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867743298 589834409 /nfs/dbraw/zinc/83/44/09/589834409.db2.gz OXGXAUHKAZZXJM-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867743016 589834598 /nfs/dbraw/zinc/83/45/98/589834598.db2.gz FFULSRJOPCCACB-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+](CCNC(=O)N1CCC(N2CCN(C)CC2)CC1)C1CC1 ZINC000868219314 589881383 /nfs/dbraw/zinc/88/13/83/589881383.db2.gz UPUOFVKSIYMRPW-UHFFFAOYSA-N 1 3 337.512 0.892 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CCC(N2CCN(C)CC2)CC1)C1CC1 ZINC000868219314 589881384 /nfs/dbraw/zinc/88/13/84/589881384.db2.gz UPUOFVKSIYMRPW-UHFFFAOYSA-N 1 3 337.512 0.892 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])Cc1ccccc1 ZINC000861755818 589887982 /nfs/dbraw/zinc/88/79/82/589887982.db2.gz QCKFXELHIJINKZ-DOTOQJQBSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\CN1CCOCC1 ZINC000869236804 589954984 /nfs/dbraw/zinc/95/49/84/589954984.db2.gz JPCAGKHDLHLAFA-WRLNGNIRSA-N 1 3 326.485 0.263 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\CN1CCOCC1 ZINC000869236804 589954985 /nfs/dbraw/zinc/95/49/85/589954985.db2.gz JPCAGKHDLHLAFA-WRLNGNIRSA-N 1 3 326.485 0.263 20 0 ECADHO C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)C[C@H]1C[NH+](C)C ZINC000870022800 589990088 /nfs/dbraw/zinc/99/00/88/589990088.db2.gz YTICSIUUYGNKTD-DOOVEFGSSA-N 1 3 332.448 0.998 20 0 ECADHO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000872146316 590097556 /nfs/dbraw/zinc/09/75/56/590097556.db2.gz LCKMAJLWNOJOOO-ZACQAIPSSA-N 1 3 338.496 0.023 20 0 ECADHO NC1(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC2(CCC2)C1 ZINC000872254172 590107982 /nfs/dbraw/zinc/10/79/82/590107982.db2.gz VEENTNNXWAUOPK-KGLIPLIRSA-N 1 3 348.447 0.432 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872285267 590111075 /nfs/dbraw/zinc/11/10/75/590111075.db2.gz VSYAYUMVARIWOR-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000864960926 590118345 /nfs/dbraw/zinc/11/83/45/590118345.db2.gz TWAZEOVAXBMFEC-STQMWFEESA-N 1 3 328.457 0.509 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000864960926 590118346 /nfs/dbraw/zinc/11/83/46/590118346.db2.gz TWAZEOVAXBMFEC-STQMWFEESA-N 1 3 328.457 0.509 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cn2cc(F)ccc2n1 ZINC000865177851 590129715 /nfs/dbraw/zinc/12/97/15/590129715.db2.gz MYVAVLZQUDSTGA-UHFFFAOYSA-N 1 3 335.427 0.968 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC[C@]23COC(=O)N2CCOC3)cc1 ZINC000865769284 590156669 /nfs/dbraw/zinc/15/66/69/590156669.db2.gz VTQXKWIDCQBPJB-SFHVURJKSA-N 1 3 349.431 0.938 20 0 ECADHO CN(Cc1cc2c(s1)CC[NH2+]C2)C[C@H](O)CN1CCOCC1 ZINC000873206109 590186561 /nfs/dbraw/zinc/18/65/61/590186561.db2.gz WBZUVSYMROWWCL-AWEZNQCLSA-N 1 3 325.478 0.519 20 0 ECADHO NCc1cn(-c2cccc(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)c2)nn1 ZINC000873243522 590187271 /nfs/dbraw/zinc/18/72/71/590187271.db2.gz MFZOEHRCJUHCDG-ZWKOTPCHSA-N 1 3 342.447 0.583 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875168749 590277857 /nfs/dbraw/zinc/27/78/57/590277857.db2.gz AHFUZSIESIVQSW-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000875168749 590277858 /nfs/dbraw/zinc/27/78/58/590277858.db2.gz AHFUZSIESIVQSW-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCC1(C)C ZINC000875408048 590299816 /nfs/dbraw/zinc/29/98/16/590299816.db2.gz NQXDRWIDKTVIIG-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCC1(C)C ZINC000875408048 590299817 /nfs/dbraw/zinc/29/98/17/590299817.db2.gz NQXDRWIDKTVIIG-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CC[NH+](C2CCN(C[C@H](O)CC3(O)CCCC3)CC2)CC1 ZINC000879594376 590326867 /nfs/dbraw/zinc/32/68/67/590326867.db2.gz GZJDWVJPAFEGKA-QGZVFWFLSA-N 1 3 325.497 0.754 20 0 ECADHO CC(C)[NH+]1CCC(CCNC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000876028923 590351636 /nfs/dbraw/zinc/35/16/36/590351636.db2.gz HHTAVGYVXGHUEE-KRWDZBQOSA-N 1 3 326.485 0.863 20 0 ECADHO O=C(CN1CCNCC1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876519754 590384554 /nfs/dbraw/zinc/38/45/54/590384554.db2.gz MLJNVKZFGSWADL-UHFFFAOYSA-N 1 3 346.431 0.439 20 0 ECADHO COCCN1CCC(NC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876734528 590405580 /nfs/dbraw/zinc/40/55/80/590405580.db2.gz GGJHSAABACJELW-MRXNPFEDSA-N 1 3 349.479 0.957 20 0 ECADHO Cn1ncc(CN)c1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000876753186 590409774 /nfs/dbraw/zinc/40/97/74/590409774.db2.gz BQVDPVIFARHTQY-UHFFFAOYSA-N 1 3 345.447 0.792 20 0 ECADHO COCCCN(C)CCNC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876771786 590412597 /nfs/dbraw/zinc/41/25/97/590412597.db2.gz YSRWHKYATAMFHG-HNNXBMFYSA-N 1 3 337.468 0.814 20 0 ECADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876931142 590427873 /nfs/dbraw/zinc/42/78/73/590427873.db2.gz JPNNVXYIWBMKHY-AWEZNQCLSA-N 1 3 340.493 0.450 20 0 ECADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881474883 590457148 /nfs/dbraw/zinc/45/71/48/590457148.db2.gz TVUJCNLXFLMESV-SJORKVTESA-N 1 3 336.480 0.136 20 0 ECADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881474881 590457386 /nfs/dbraw/zinc/45/73/86/590457386.db2.gz TVUJCNLXFLMESV-IAGOWNOFSA-N 1 3 336.480 0.136 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)C1(n2cccn2)CC[NH2+]CC1 ZINC000877344348 590459731 /nfs/dbraw/zinc/45/97/31/590459731.db2.gz XMKCAVDXYQAWRO-QGZVFWFLSA-N 1 3 339.443 0.793 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1=O ZINC000877375507 590461655 /nfs/dbraw/zinc/46/16/55/590461655.db2.gz TUHNXVVYIUWWQY-IUVQAAGXSA-N 1 3 348.491 0.387 20 0 ECADHO NC[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)C(F)(F)F ZINC000883574705 590626302 /nfs/dbraw/zinc/62/63/02/590626302.db2.gz MSYHTUNGHXLRPD-LBPRGKRZSA-N 1 3 338.374 0.819 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCN1c1ccncc1 ZINC000883638855 590636423 /nfs/dbraw/zinc/63/64/23/590636423.db2.gz YLBDHENCMZACGR-CQSZACIVSA-N 1 3 347.463 0.562 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659338 590646143 /nfs/dbraw/zinc/64/61/43/590646143.db2.gz FUHFSJVMSGNBGT-HNNXBMFYSA-N 1 3 336.480 0.720 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccnc(N2CCNCC2)c1 ZINC000884195699 590770208 /nfs/dbraw/zinc/77/02/08/590770208.db2.gz WPVJIXAOXPSVFH-CVEARBPZSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccnc(N2CCNCC2)c1 ZINC000884195699 590770210 /nfs/dbraw/zinc/77/02/10/590770210.db2.gz WPVJIXAOXPSVFH-CVEARBPZSA-N 1 3 329.448 0.848 20 0 ECADHO CCN1CCN(CCNC(=O)c2cccc(OCC[NH2+]C)c2)CC1 ZINC000884233880 590784944 /nfs/dbraw/zinc/78/49/44/590784944.db2.gz BOWJICQALMVYAQ-UHFFFAOYSA-N 1 3 334.464 0.652 20 0 ECADHO C[NH2+]CCOc1cccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000884235540 590786257 /nfs/dbraw/zinc/78/62/57/590786257.db2.gz XWYISLJOCMAKOH-INIZCTEOSA-N 1 3 348.491 0.898 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000884293351 590798754 /nfs/dbraw/zinc/79/87/54/590798754.db2.gz AXZRHMHZZBADBC-UHFFFAOYSA-N 1 3 329.448 0.707 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884546261 590853055 /nfs/dbraw/zinc/85/30/55/590853055.db2.gz FPJMJECKTPUCCC-GOSISDBHSA-N 1 3 338.496 0.827 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884577535 590862308 /nfs/dbraw/zinc/86/23/08/590862308.db2.gz HJDZBZXKHBUYRI-LVQVYYBASA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N(C)C1CC1 ZINC000884616810 590872791 /nfs/dbraw/zinc/87/27/91/590872791.db2.gz CGTMIKUNFGGLKD-KSSFIOAISA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884650740 590883129 /nfs/dbraw/zinc/88/31/29/590883129.db2.gz UJNKRLLAAABSFO-INIZCTEOSA-N 1 3 332.448 0.275 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884685218 590893754 /nfs/dbraw/zinc/89/37/54/590893754.db2.gz BONZUEYPUXPSGY-RBSFLKMASA-N 1 3 345.447 0.505 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884810807 590926953 /nfs/dbraw/zinc/92/69/53/590926953.db2.gz KMRRSIRDYSIHEX-CWRNSKLLSA-N 1 3 345.447 0.375 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884838511 590932368 /nfs/dbraw/zinc/93/23/68/590932368.db2.gz KPZRFTTWQNLVOI-MRXNPFEDSA-N 1 3 344.459 0.501 20 0 ECADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946598076 611359569 /nfs/dbraw/zinc/35/95/69/611359569.db2.gz XFMKNJJRMYTHFD-YVSFHVDLSA-N 1 3 337.464 0.012 20 0 ECADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946598076 611359570 /nfs/dbraw/zinc/35/95/70/611359570.db2.gz XFMKNJJRMYTHFD-YVSFHVDLSA-N 1 3 337.464 0.012 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000935448360 611371490 /nfs/dbraw/zinc/37/14/90/611371490.db2.gz JVSVRWSAWDARBQ-UHFFFAOYSA-N 1 3 340.512 0.630 20 0 ECADHO COCCOCCOCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000930137345 611394075 /nfs/dbraw/zinc/39/40/75/611394075.db2.gz RVFMEPVZFMGBHX-ROUUACIJSA-N 1 3 343.512 0.624 20 0 ECADHO COCCOCCOCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000930137345 611394079 /nfs/dbraw/zinc/39/40/79/611394079.db2.gz RVFMEPVZFMGBHX-ROUUACIJSA-N 1 3 343.512 0.624 20 0 ECADHO COCCOCCOCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000930137345 611394083 /nfs/dbraw/zinc/39/40/83/611394083.db2.gz RVFMEPVZFMGBHX-ROUUACIJSA-N 1 3 343.512 0.624 20 0 ECADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCN(c3ccc4nncn4n3)C1)[NH2+]2 ZINC000925718851 611495763 /nfs/dbraw/zinc/49/57/63/611495763.db2.gz JQNAQPBVMIFYBT-KHMAMNHCSA-N 1 3 327.436 0.822 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000926323464 611534673 /nfs/dbraw/zinc/53/46/73/611534673.db2.gz ZUWODXVLXAOXHU-GOSISDBHSA-N 1 3 336.480 0.674 20 0 ECADHO C[NH+](C)CC1(O)CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000931487171 611544812 /nfs/dbraw/zinc/54/48/12/611544812.db2.gz UQDCYMJSAPUJTK-CQSZACIVSA-N 1 3 326.412 0.954 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000927639452 611623568 /nfs/dbraw/zinc/62/35/68/611623568.db2.gz BFRRXJFNTKOSFO-DLBZAZTESA-N 1 3 334.464 0.895 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000927639452 611623570 /nfs/dbraw/zinc/62/35/70/611623570.db2.gz BFRRXJFNTKOSFO-DLBZAZTESA-N 1 3 334.464 0.895 20 0 ECADHO COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927648493 608944739 /nfs/dbraw/zinc/94/47/39/608944739.db2.gz MIRUXEQLGGBLSP-MRXNPFEDSA-N 1 3 342.484 0.459 20 0 ECADHO CCO[C@@H](CNC(=O)NCCN1CCC(OC)CC1)C[NH+](C)C ZINC000926838679 609044891 /nfs/dbraw/zinc/04/48/91/609044891.db2.gz FWFATWXCVTUYLX-HNNXBMFYSA-N 1 3 330.473 0.363 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000936280618 609050371 /nfs/dbraw/zinc/05/03/71/609050371.db2.gz PPMRJPRSXNAYMK-OAHLLOKOSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@H]1[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000928429099 611686672 /nfs/dbraw/zinc/68/66/72/611686672.db2.gz ZHNLOCWGYBQRNZ-XQQFMLRXSA-N 1 3 328.457 0.650 20 0 ECADHO C[C@H]1[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000928429099 611686676 /nfs/dbraw/zinc/68/66/76/611686676.db2.gz ZHNLOCWGYBQRNZ-XQQFMLRXSA-N 1 3 328.457 0.650 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000921111996 609698792 /nfs/dbraw/zinc/69/87/92/609698792.db2.gz NAYAVHIAEXEBPC-ARFHVFGLSA-N 1 3 327.469 0.306 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000910715133 609755194 /nfs/dbraw/zinc/75/51/94/609755194.db2.gz HKICGFFWHBIGLY-HNNXBMFYSA-N 1 3 340.512 0.974 20 0 ECADHO C[NH+](C)CC[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1cccnc1 ZINC000928833698 611715134 /nfs/dbraw/zinc/71/51/34/611715134.db2.gz FLRZHVTTZDOKLS-IAGOWNOFSA-N 1 3 331.464 0.581 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000910961901 609783302 /nfs/dbraw/zinc/78/33/02/609783302.db2.gz GTAFYKPNXFWFCZ-HYVNUMGLSA-N 1 3 346.475 0.247 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000910964434 609784198 /nfs/dbraw/zinc/78/41/98/609784198.db2.gz VGPQFTWCMLDTBU-OIISXLGYSA-N 1 3 346.475 0.991 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911027952 609791763 /nfs/dbraw/zinc/79/17/63/609791763.db2.gz GCADWSYKMFHUIB-RKVPGOIHSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N(C)Cc1ccccc1 ZINC000911010166 609793850 /nfs/dbraw/zinc/79/38/50/609793850.db2.gz WQXKMJNALIPOIJ-PQEBFOHHSA-N 1 3 344.459 0.632 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC000911054059 609795332 /nfs/dbraw/zinc/79/53/32/609795332.db2.gz CHEGLLWYIJJICX-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)C1CC1 ZINC000911055059 609795494 /nfs/dbraw/zinc/79/54/94/609795494.db2.gz ZEJHGWCNKYQKNI-GLRZTSSQSA-N 1 3 344.459 0.372 20 0 ECADHO CN1CCN(c2ccnc(NC(=O)C[C@]3(O)CCC[N@H+](C)C3)c2)CC1 ZINC000913665034 609808722 /nfs/dbraw/zinc/80/87/22/609808722.db2.gz DVFVLEJCBCJUDB-GOSISDBHSA-N 1 3 347.463 0.619 20 0 ECADHO CN1CCN(c2ccnc(NC(=O)C[C@]3(O)CCC[N@@H+](C)C3)c2)CC1 ZINC000913665034 609808724 /nfs/dbraw/zinc/80/87/24/609808724.db2.gz DVFVLEJCBCJUDB-GOSISDBHSA-N 1 3 347.463 0.619 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1)C1CCC1 ZINC000913674216 609809803 /nfs/dbraw/zinc/80/98/03/609809803.db2.gz IFFRKBOHUSSAFO-IRXDYDNUSA-N 1 3 348.491 0.767 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1)C1CCC1 ZINC000913674216 609809806 /nfs/dbraw/zinc/80/98/06/609809806.db2.gz IFFRKBOHUSSAFO-IRXDYDNUSA-N 1 3 348.491 0.767 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911161786 609817613 /nfs/dbraw/zinc/81/76/13/609817613.db2.gz MKZNXAZJJPLXJD-QAPCUYQASA-N 1 3 336.480 0.722 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000911324340 609847663 /nfs/dbraw/zinc/84/76/63/609847663.db2.gz APKOZDFJPPSVNZ-IUVQAAGXSA-N 1 3 348.491 0.849 20 0 ECADHO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000911324504 609847968 /nfs/dbraw/zinc/84/79/68/609847968.db2.gz DPHWRHAXXZRJKF-JYJNAYRXSA-N 1 3 336.480 0.768 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911325126 609848501 /nfs/dbraw/zinc/84/85/01/609848501.db2.gz OSXUYUFCRWWMRZ-FZKCQIBNSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911334136 609850201 /nfs/dbraw/zinc/85/02/01/609850201.db2.gz XJDXVKFUJLBNET-BZUAXINKSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)N1CCC[C@H](C)C1 ZINC000911401121 609867405 /nfs/dbraw/zinc/86/74/05/609867405.db2.gz OTIMGYGNQMQUBT-XUWVNRHRSA-N 1 3 338.496 0.585 20 0 ECADHO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000911444041 609873475 /nfs/dbraw/zinc/87/34/75/609873475.db2.gz XAOIWWKZCLCZPK-HDMKZQKVSA-N 1 3 334.464 0.332 20 0 ECADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000911551458 609893543 /nfs/dbraw/zinc/89/35/43/609893543.db2.gz MENVBHLHZMFTBG-FXUDXRNXSA-N 1 3 334.464 0.472 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911559147 609895028 /nfs/dbraw/zinc/89/50/28/609895028.db2.gz AQEOJKSNFPRXPP-BRWVUGGUSA-N 1 3 344.459 0.573 20 0 ECADHO CN1CCN(c2cccc(C(=O)N3CC([NH+]4CCCC4)C3)n2)CC1 ZINC000912325169 609947421 /nfs/dbraw/zinc/94/74/21/609947421.db2.gz QVOWMUMEYMFOQU-UHFFFAOYSA-N 1 3 329.448 0.754 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)NC1CCN(CCO)CC1)c1cccnc1 ZINC000917837632 609985240 /nfs/dbraw/zinc/98/52/40/609985240.db2.gz OYIGRAIGXVXQIG-KRWDZBQOSA-N 1 3 349.479 0.830 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)C(=O)CN2CCCC2)C1 ZINC000939696377 610088707 /nfs/dbraw/zinc/08/87/07/610088707.db2.gz VFNBFKFHCPUBLH-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)C(=O)CN2CCCC2)C1 ZINC000939696377 610088710 /nfs/dbraw/zinc/08/87/10/610088710.db2.gz VFNBFKFHCPUBLH-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000939696365 610088805 /nfs/dbraw/zinc/08/88/05/610088805.db2.gz VBPJJAUSPUXCAW-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000939700534 610091885 /nfs/dbraw/zinc/09/18/85/610091885.db2.gz RQJPKMLFJCCVIH-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)C(=O)CN3CCCC3)C2)C1 ZINC000939701828 610093087 /nfs/dbraw/zinc/09/30/87/610093087.db2.gz YPMXOBPALBDHOE-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)C(=O)CN3CCCC3)C2)C1 ZINC000939701828 610093089 /nfs/dbraw/zinc/09/30/89/610093089.db2.gz YPMXOBPALBDHOE-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941414446 610303241 /nfs/dbraw/zinc/30/32/41/610303241.db2.gz RSBRIUULLCXLIL-WMZOPIPTSA-N 1 3 348.491 0.088 20 0 ECADHO O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941414446 610303243 /nfs/dbraw/zinc/30/32/43/610303243.db2.gz RSBRIUULLCXLIL-WMZOPIPTSA-N 1 3 348.491 0.088 20 0 ECADHO CNC(=O)CN1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942289038 610381464 /nfs/dbraw/zinc/38/14/64/610381464.db2.gz USFYSMRJVFPOGR-WFASDCNBSA-N 1 3 329.404 0.521 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941566967 610387037 /nfs/dbraw/zinc/38/70/37/610387037.db2.gz NAGJRXCYXASIML-MRXNPFEDSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941566967 610387040 /nfs/dbraw/zinc/38/70/40/610387040.db2.gz NAGJRXCYXASIML-MRXNPFEDSA-N 1 3 334.508 0.957 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC000941645505 610438446 /nfs/dbraw/zinc/43/84/46/610438446.db2.gz MRJHCLZUNUMXES-CVEARBPZSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000941102889 610537489 /nfs/dbraw/zinc/53/74/89/610537489.db2.gz XEYZFDSXQRNLRO-CVEARBPZSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000941102889 610537492 /nfs/dbraw/zinc/53/74/92/610537492.db2.gz XEYZFDSXQRNLRO-CVEARBPZSA-N 1 3 338.496 0.585 20 0 ECADHO CN(CC(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC000941103210 610538035 /nfs/dbraw/zinc/53/80/35/610538035.db2.gz QHOLNYRJNBWKPC-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CC(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC000941103210 610538036 /nfs/dbraw/zinc/53/80/36/610538036.db2.gz QHOLNYRJNBWKPC-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)N(C)C ZINC000941361527 610692073 /nfs/dbraw/zinc/69/20/73/610692073.db2.gz JZDUOBZAOHNLMP-HOTGVXAUSA-N 1 3 340.512 0.974 20 0 ECADHO C[C@H]1CN(CCn2cncn2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943288288 610781636 /nfs/dbraw/zinc/78/16/36/610781636.db2.gz MLVNJHINYAYONJ-RDJZCZTQSA-N 1 3 348.495 0.837 20 0 ECADHO CCN1CCN(C(=O)[C@@H](C)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923449061 611244549 /nfs/dbraw/zinc/24/45/49/611244549.db2.gz JXOZASBERJNPNM-HZPDHXFCSA-N 1 3 338.496 0.369 20 0 ECADHO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517872 611296474 /nfs/dbraw/zinc/29/64/74/611296474.db2.gz KGZUPSUSNNLMLA-JONQDZQNSA-N 1 3 336.480 0.386 20 0 ECADHO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517872 611296475 /nfs/dbraw/zinc/29/64/75/611296475.db2.gz KGZUPSUSNNLMLA-JONQDZQNSA-N 1 3 336.480 0.386 20 0 ECADHO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N1CCNCC1 ZINC000923603983 611308346 /nfs/dbraw/zinc/30/83/46/611308346.db2.gz RBYZWDZCSAOONI-UHFFFAOYSA-N 1 3 340.493 0.720 20 0 ECADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)S(=O)(=O)C1CNC1 ZINC000923644434 611335512 /nfs/dbraw/zinc/33/55/12/611335512.db2.gz KDUMIIQWFYSSKV-LLVKDONJSA-N 1 3 330.479 0.165 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)/C=C/C=C/C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000922157606 611340358 /nfs/dbraw/zinc/34/03/58/611340358.db2.gz GMXPTHBHRGQIAL-ADMJYPRCSA-N 1 3 334.464 0.520 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)/C=C/C=C/C(=O)NC[C@H]1CC[N@H+]1CC ZINC000922157606 611340360 /nfs/dbraw/zinc/34/03/60/611340360.db2.gz GMXPTHBHRGQIAL-ADMJYPRCSA-N 1 3 334.464 0.520 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)C(C)C ZINC000885161621 611349186 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/nfs/dbraw/zinc/08/33/95/733083395.db2.gz QPYMVKSPAXPCLG-DZGCQCFKSA-N 1 3 334.468 0.389 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NCC2CC2)CC1)N(C)C ZINC001167257651 733099231 /nfs/dbraw/zinc/09/92/31/733099231.db2.gz GMPZJTFYVRCLMV-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CC[C@@H](NC[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001025140391 738716242 /nfs/dbraw/zinc/71/62/42/738716242.db2.gz CJCIMQZOFABPSD-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO COc1ccc(CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000970489300 733608585 /nfs/dbraw/zinc/60/85/85/733608585.db2.gz AICLTTWYQOGHLJ-OAHLLOKOSA-N 1 3 330.432 0.877 20 0 ECADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287717 733727007 /nfs/dbraw/zinc/72/70/07/733727007.db2.gz JYJQQSTUPWMRLQ-RBSFLKMASA-N 1 3 338.496 0.679 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)C[C@H]2CCOC2)CC1 ZINC001098540687 733855997 /nfs/dbraw/zinc/85/59/97/733855997.db2.gz VAZFSNJWWFTKTQ-MRXNPFEDSA-N 1 3 341.496 0.650 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)C[C@H]2CCOC2)CC1 ZINC001098540687 733855999 /nfs/dbraw/zinc/85/59/99/733855999.db2.gz VAZFSNJWWFTKTQ-MRXNPFEDSA-N 1 3 341.496 0.650 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970743961 733900398 /nfs/dbraw/zinc/90/03/98/733900398.db2.gz DHTTUMXAGJAKTQ-CQSZACIVSA-N 1 3 344.459 0.418 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000971563590 734752276 /nfs/dbraw/zinc/75/22/76/734752276.db2.gz OPUOILJEQSXHFA-XOKHGSTOSA-N 1 3 348.495 0.768 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000971563590 734752278 /nfs/dbraw/zinc/75/22/78/734752278.db2.gz OPUOILJEQSXHFA-XOKHGSTOSA-N 1 3 348.495 0.768 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1)C1CC1 ZINC000971676879 734940954 /nfs/dbraw/zinc/94/09/54/734940954.db2.gz IFYAGFDFEVEKEK-DLBZAZTESA-N 1 3 333.480 0.836 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1)C1CC1 ZINC000971676879 734940959 /nfs/dbraw/zinc/94/09/59/734940959.db2.gz IFYAGFDFEVEKEK-DLBZAZTESA-N 1 3 333.480 0.836 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCn2nc(C)nc2C)C1)N(C)C ZINC000971778623 735048302 /nfs/dbraw/zinc/04/83/02/735048302.db2.gz PFBXYOXCGYXICA-JKSUJKDBSA-N 1 3 336.484 0.768 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCn2nc(C)nc2C)C1)N(C)C ZINC000971778623 735048304 /nfs/dbraw/zinc/04/83/04/735048304.db2.gz PFBXYOXCGYXICA-JKSUJKDBSA-N 1 3 336.484 0.768 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC000972189591 735768135 /nfs/dbraw/zinc/76/81/35/735768135.db2.gz SFYCNBGKWJXRDI-HUUCEWRRSA-N 1 3 348.447 0.766 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC000972189591 735768138 /nfs/dbraw/zinc/76/81/38/735768138.db2.gz SFYCNBGKWJXRDI-HUUCEWRRSA-N 1 3 348.447 0.766 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)CCN2CCCC2=O)C1)[NH+](C)C ZINC000972267944 735865443 /nfs/dbraw/zinc/86/54/43/735865443.db2.gz 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COc1ccc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001022973447 736346337 /nfs/dbraw/zinc/34/63/37/736346337.db2.gz LEWHPZCPPPAZAB-YUELXQCFSA-N 1 3 333.436 0.564 20 0 ECADHO O=C(NC[C@@H]1CCC[N@@H+](CCCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001023500390 736925757 /nfs/dbraw/zinc/92/57/57/736925757.db2.gz SKJKYKDEACVYOV-UERKLNTKSA-N 1 3 337.464 0.060 20 0 ECADHO O=C(NC[C@@H]1CCC[N@H+](CCCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001023500390 736925759 /nfs/dbraw/zinc/92/57/59/736925759.db2.gz SKJKYKDEACVYOV-UERKLNTKSA-N 1 3 337.464 0.060 20 0 ECADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001087256822 737409700 /nfs/dbraw/zinc/40/97/00/737409700.db2.gz MQUNDLHRRANESA-ZIAGYGMSSA-N 1 3 349.435 0.160 20 0 ECADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001087256822 737409701 /nfs/dbraw/zinc/40/97/01/737409701.db2.gz MQUNDLHRRANESA-ZIAGYGMSSA-N 1 3 349.435 0.160 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1 ZINC001087259252 737562121 /nfs/dbraw/zinc/56/21/21/737562121.db2.gz GXAGWQNZFYGKMI-RISCZKNCSA-N 1 3 333.436 0.496 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1 ZINC001087259252 737562124 /nfs/dbraw/zinc/56/21/24/737562124.db2.gz GXAGWQNZFYGKMI-RISCZKNCSA-N 1 3 333.436 0.496 20 0 ECADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)[nH]1 ZINC001023986936 737584509 /nfs/dbraw/zinc/58/45/09/737584509.db2.gz NPHZSEJIUFSAOK-GDBMZVCRSA-N 1 3 346.479 0.783 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001024037953 737651312 /nfs/dbraw/zinc/65/13/12/737651312.db2.gz CYTQLKIAJPPLGB-GDBMZVCRSA-N 1 3 336.484 0.966 20 0 ECADHO Cn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001024156434 737783173 /nfs/dbraw/zinc/78/31/73/737783173.db2.gz NKNKADUELBAONZ-OAHLLOKOSA-N 1 3 348.495 0.875 20 0 ECADHO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1CCN1CCNC1=O ZINC001024365561 737923484 /nfs/dbraw/zinc/92/34/84/737923484.db2.gz CTOKCAJKKXETGC-LSDHHAIUSA-N 1 3 337.468 0.077 20 0 ECADHO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1CCN1CCNC1=O ZINC001024365561 737923485 /nfs/dbraw/zinc/92/34/85/737923485.db2.gz CTOKCAJKKXETGC-LSDHHAIUSA-N 1 3 337.468 0.077 20 0 ECADHO COCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561821 738107920 /nfs/dbraw/zinc/10/79/20/738107920.db2.gz ZBBOTXMUOVJUKF-LPMVOBIJSA-N 1 3 337.464 0.467 20 0 ECADHO COCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561821 738107922 /nfs/dbraw/zinc/10/79/22/738107922.db2.gz ZBBOTXMUOVJUKF-LPMVOBIJSA-N 1 3 337.464 0.467 20 0 ECADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001006446800 751392636 /nfs/dbraw/zinc/39/26/36/751392636.db2.gz APKMDEIIAJGVPB-GDBMZVCRSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001006455507 751403336 /nfs/dbraw/zinc/40/33/36/751403336.db2.gz HYPNLWMBERZRDL-AWEZNQCLSA-N 1 3 348.491 0.530 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000973466920 739336798 /nfs/dbraw/zinc/33/67/98/739336798.db2.gz ONAIAELXTOLIEI-MGPQQGTHSA-N 1 3 333.436 0.366 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000973466920 739336799 /nfs/dbraw/zinc/33/67/99/739336799.db2.gz ONAIAELXTOLIEI-MGPQQGTHSA-N 1 3 333.436 0.366 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3C)C2)C1 ZINC001104679681 739462004 /nfs/dbraw/zinc/46/20/04/739462004.db2.gz MNQWDLQJLRISNN-BZUAXINKSA-N 1 3 348.495 0.731 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025809019 739975679 /nfs/dbraw/zinc/97/56/79/739975679.db2.gz MVWAGNLVTOALRB-ZVDSWSACSA-N 1 3 334.464 0.186 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025809019 739975684 /nfs/dbraw/zinc/97/56/84/739975684.db2.gz MVWAGNLVTOALRB-ZVDSWSACSA-N 1 3 334.464 0.186 20 0 ECADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001100769528 740323637 /nfs/dbraw/zinc/32/36/37/740323637.db2.gz OKRISWZXHWXRTJ-UHFFFAOYSA-N 1 3 326.485 0.679 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCn3cncn3)[C@@H]2C1)C1CCC1 ZINC001026283181 740741796 /nfs/dbraw/zinc/74/17/96/740741796.db2.gz DBGAYJSMCOYSCB-UAGQMJEPSA-N 1 3 346.479 0.589 20 0 ECADHO CC1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CC1 ZINC001087398645 740776887 /nfs/dbraw/zinc/77/68/87/740776887.db2.gz DLRYVQSGQZVODU-MLHJIOFPSA-N 1 3 335.492 0.879 20 0 ECADHO CC1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)CC1 ZINC001087398645 740776891 /nfs/dbraw/zinc/77/68/91/740776891.db2.gz DLRYVQSGQZVODU-MLHJIOFPSA-N 1 3 335.492 0.879 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000974149109 741015930 /nfs/dbraw/zinc/01/59/30/741015930.db2.gz CPLPXQGSMKPUHJ-KFWWJZLASA-N 1 3 336.480 0.433 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000974149109 741015931 /nfs/dbraw/zinc/01/59/31/741015931.db2.gz CPLPXQGSMKPUHJ-KFWWJZLASA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CCNCc1cnnn1C ZINC001105008229 741160625 /nfs/dbraw/zinc/16/06/25/741160625.db2.gz VGXBXEUAWAVNMD-KFWWJZLASA-N 1 3 334.468 0.341 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CCNCc1cnnn1C ZINC001105008229 741160626 /nfs/dbraw/zinc/16/06/26/741160626.db2.gz VGXBXEUAWAVNMD-KFWWJZLASA-N 1 3 334.468 0.341 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001105064415 741273583 /nfs/dbraw/zinc/27/35/83/741273583.db2.gz NVSAMNSKRUFZJZ-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)CN1CCCC1 ZINC000988187393 751642686 /nfs/dbraw/zinc/64/26/86/751642686.db2.gz AFIUEUSCZICNSH-OIISXLGYSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001026560958 741556136 /nfs/dbraw/zinc/55/61/36/741556136.db2.gz LGISBEOPJRPULD-WLYUNCDWSA-N 1 3 334.468 0.816 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)nn1 ZINC001026734241 741738413 /nfs/dbraw/zinc/73/84/13/741738413.db2.gz LRBPIOBETWZTEZ-ZFWWWQNUSA-N 1 3 333.436 0.518 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105326974 741805562 /nfs/dbraw/zinc/80/55/62/741805562.db2.gz NMMAJEXUKBDELM-GUYCJALGSA-N 1 3 346.479 0.749 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105326974 741805565 /nfs/dbraw/zinc/80/55/65/741805565.db2.gz NMMAJEXUKBDELM-GUYCJALGSA-N 1 3 346.479 0.749 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001026848032 741956621 /nfs/dbraw/zinc/95/66/21/741956621.db2.gz RYDBQXXXUDXGPQ-XJKSGUPXSA-N 1 3 348.447 0.963 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC001026888805 742028798 /nfs/dbraw/zinc/02/87/98/742028798.db2.gz NWJGSZHMRGNPAM-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001026901245 742051233 /nfs/dbraw/zinc/05/12/33/742051233.db2.gz LUDRGWGVROHMAU-AEFFLSMTSA-N 1 3 348.491 0.910 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)nn1 ZINC001026920832 742087122 /nfs/dbraw/zinc/08/71/22/742087122.db2.gz IMNAQZCFKLFTPF-GDBMZVCRSA-N 1 3 347.463 0.908 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)n1 ZINC001026920537 742087527 /nfs/dbraw/zinc/08/75/27/742087527.db2.gz CZWBPKXNOPDQKD-GDBMZVCRSA-N 1 3 347.463 0.908 20 0 ECADHO COCCN1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974825189 742223733 /nfs/dbraw/zinc/22/37/33/742223733.db2.gz KGPJQKZFFWVGGA-DIODGJHASA-N 1 3 337.464 0.323 20 0 ECADHO COCCN1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974825189 742223734 /nfs/dbraw/zinc/22/37/34/742223734.db2.gz KGPJQKZFFWVGGA-DIODGJHASA-N 1 3 337.464 0.323 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001027037450 742351895 /nfs/dbraw/zinc/35/18/95/742351895.db2.gz UULGZNCOQAVXLG-AWEZNQCLSA-N 1 3 347.463 0.765 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001020519408 751749112 /nfs/dbraw/zinc/74/91/12/751749112.db2.gz HANIXPOEMPNFJU-JOCQHMNTSA-N 1 3 332.408 0.520 20 0 ECADHO O=C(N1CC[C@@H](CNCc2cc3n(n2)CCC3)C1)C12CC[NH+](CC1)C2 ZINC001027173200 743005036 /nfs/dbraw/zinc/00/50/36/743005036.db2.gz LRBBOBATQIMJJY-HNNXBMFYSA-N 1 3 343.475 0.863 20 0 ECADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1=O ZINC000997008789 743122850 /nfs/dbraw/zinc/12/28/50/743122850.db2.gz XEEWSGHGKJTTJU-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccn(C)c(=O)c2)CC1)N(C)C ZINC000997008675 743123228 /nfs/dbraw/zinc/12/32/28/743123228.db2.gz DMXWGGKRWOBMBY-INIZCTEOSA-N 1 3 334.464 0.806 20 0 ECADHO C[C@@H]1CCCCN1C(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997053368 743174227 /nfs/dbraw/zinc/17/42/27/743174227.db2.gz LBPMPYCLLNADLC-CQSZACIVSA-N 1 3 347.463 0.934 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065137 743472399 /nfs/dbraw/zinc/47/23/99/743472399.db2.gz CWGVSGVJUDJKQN-CJNGLKHVSA-N 1 3 334.468 0.626 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC000997363718 743535498 /nfs/dbraw/zinc/53/54/98/743535498.db2.gz IZOFKMWJDJJJHF-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000997386818 743560326 /nfs/dbraw/zinc/56/03/26/743560326.db2.gz KIZWWRMJNGMIHL-CQSZACIVSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001020586021 751844827 /nfs/dbraw/zinc/84/48/27/751844827.db2.gz CHKHEQOGLGCWOE-KCYZZUKISA-N 1 3 348.491 0.861 20 0 ECADHO COc1nccc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001020586196 751845058 /nfs/dbraw/zinc/84/50/58/751845058.db2.gz IAAGHYXXSGLJNX-QEJZJMRPSA-N 1 3 333.436 0.706 20 0 ECADHO COc1nccc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001020586196 751845070 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ZINC000980405865 749505713 /nfs/dbraw/zinc/50/57/13/749505713.db2.gz LRGMULHMPAWDSI-CABCVRRESA-N 1 3 332.452 0.394 20 0 ECADHO COc1ccc(CNCC2(CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001168136993 749509454 /nfs/dbraw/zinc/50/94/54/749509454.db2.gz KMQZQKIARBUNSZ-CQSZACIVSA-N 1 3 347.463 0.813 20 0 ECADHO COc1ccc(CNCC2(CCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001168136993 749509457 /nfs/dbraw/zinc/50/94/57/749509457.db2.gz KMQZQKIARBUNSZ-CQSZACIVSA-N 1 3 347.463 0.813 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1)C1CC1 ZINC001004456340 749522657 /nfs/dbraw/zinc/52/26/57/749522657.db2.gz DOKVRRSWJPABGW-NVXWUHKLSA-N 1 3 336.480 0.515 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1)C1CC1 ZINC001004456340 749522662 /nfs/dbraw/zinc/52/26/62/749522662.db2.gz DOKVRRSWJPABGW-NVXWUHKLSA-N 1 3 336.480 0.515 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1)N(C)C ZINC001004465129 749533670 /nfs/dbraw/zinc/53/36/70/749533670.db2.gz PUHFHOWFVBFDLT-RDJZCZTQSA-N 1 3 338.496 0.761 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1)N(C)C ZINC001004465129 749533674 /nfs/dbraw/zinc/53/36/74/749533674.db2.gz PUHFHOWFVBFDLT-RDJZCZTQSA-N 1 3 338.496 0.761 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000980550727 749738352 /nfs/dbraw/zinc/73/83/52/749738352.db2.gz UFLOWOCPVVBQSY-CYUUQNCZSA-N 1 3 347.463 0.469 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000980550727 749738359 /nfs/dbraw/zinc/73/83/59/749738359.db2.gz UFLOWOCPVVBQSY-CYUUQNCZSA-N 1 3 347.463 0.469 20 0 ECADHO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351537 749838724 /nfs/dbraw/zinc/83/87/24/749838724.db2.gz CJRDHZAEMBFKAB-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)n1 ZINC000986351509 749838763 /nfs/dbraw/zinc/83/87/63/749838763.db2.gz CGDOZHMUGWJPCX-CXAGYDPISA-N 1 3 348.495 0.958 20 0 ECADHO C[C@H]1C[C@H](CNCc2cn(C)nn2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000980693986 749981428 /nfs/dbraw/zinc/98/14/28/749981428.db2.gz ZBRWUZFGPKKLJY-UONOGXRCSA-N 1 3 334.468 0.484 20 0 ECADHO CCCN(C)CC(=O)NCC1CC([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001100901695 750172367 /nfs/dbraw/zinc/17/23/67/750172367.db2.gz JRZKRHKJXKTRQO-NFOMZHRRSA-N 1 3 345.509 0.247 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059790652 750683353 /nfs/dbraw/zinc/68/33/53/750683353.db2.gz SZWRUPNALZMWPD-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC000981488195 750740431 /nfs/dbraw/zinc/74/04/31/750740431.db2.gz UZMNXTZGMONMRE-UONOGXRCSA-N 1 3 331.424 0.569 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C[C@H]2CCc3ncnn32)CC1 ZINC001028118421 751009458 /nfs/dbraw/zinc/00/94/58/751009458.db2.gz ZDHAUGKMJNHFMA-HZPDHXFCSA-N 1 3 346.479 0.688 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)CN2CCCC2)C1 ZINC001006135542 751060429 /nfs/dbraw/zinc/06/04/29/751060429.db2.gz CRPSDHDSMLJWEE-RHSMWYFYSA-N 1 3 348.491 0.387 20 0 ECADHO Cc1cncn1CC(=O)N1CC2(C1)CCCN([C@@H](C)C(=O)N(C)C)C2 ZINC000981894020 751244626 /nfs/dbraw/zinc/24/46/26/751244626.db2.gz XDYSVZCEAFONOV-HNNXBMFYSA-N 1 3 347.463 0.593 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001020927240 752347177 /nfs/dbraw/zinc/34/71/77/752347177.db2.gz JQMPGXHKKDFXQJ-BPUTZDHNSA-N 1 3 347.463 0.872 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001020927240 752347186 /nfs/dbraw/zinc/34/71/86/752347186.db2.gz JQMPGXHKKDFXQJ-BPUTZDHNSA-N 1 3 347.463 0.872 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001020981044 752397645 /nfs/dbraw/zinc/39/76/45/752397645.db2.gz XZALWBOYAIQTQD-MGPQQGTHSA-N 1 3 333.436 0.414 20 0 ECADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001021328152 752779625 /nfs/dbraw/zinc/77/96/25/752779625.db2.gz AVLOCSCSFKYQAT-VAXFGDBPSA-N 1 3 349.475 0.344 20 0 ECADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001021328152 752779627 /nfs/dbraw/zinc/77/96/27/752779627.db2.gz AVLOCSCSFKYQAT-VAXFGDBPSA-N 1 3 349.475 0.344 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)CC[N@@H+]1C ZINC001008209979 753466636 /nfs/dbraw/zinc/46/66/36/753466636.db2.gz WDERIXJZXDYQHU-YUELXQCFSA-N 1 3 347.463 0.646 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)CC[N@H+]1C ZINC001008209979 753466639 /nfs/dbraw/zinc/46/66/39/753466639.db2.gz WDERIXJZXDYQHU-YUELXQCFSA-N 1 3 347.463 0.646 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000989336583 753650956 /nfs/dbraw/zinc/65/09/56/753650956.db2.gz NPMRIWCWVYTWIS-QXSJWSMHSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000989336583 753650958 /nfs/dbraw/zinc/65/09/58/753650958.db2.gz NPMRIWCWVYTWIS-QXSJWSMHSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@H]([NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1)C(N)=O ZINC001105566737 753837666 /nfs/dbraw/zinc/83/76/66/753837666.db2.gz UGUBOZRGSIULCK-DZGCQCFKSA-N 1 3 347.463 0.967 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1 ZINC001168335502 754628954 /nfs/dbraw/zinc/62/89/54/754628954.db2.gz LFEHFUXRLBMSRU-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](CCCF)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028698697 754710054 /nfs/dbraw/zinc/71/00/54/754710054.db2.gz PWVFCRKCOLTQFZ-GJEMEMOUSA-N 1 3 325.428 0.647 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](CCCF)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028698697 754710058 /nfs/dbraw/zinc/71/00/58/754710058.db2.gz PWVFCRKCOLTQFZ-GJEMEMOUSA-N 1 3 325.428 0.647 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000990279530 754936259 /nfs/dbraw/zinc/93/62/59/754936259.db2.gz WXTLMZJHOOUBAU-CVEARBPZSA-N 1 3 336.480 0.671 20 0 ECADHO c1cc(-c2noc([C@@H]3CCN([C@@H]4CC[NH2+]C4)C3)n2)nc2c1CNCC2 ZINC001212119273 755163012 /nfs/dbraw/zinc/16/30/12/755163012.db2.gz RXTYYCTZAQKGSR-ZIAGYGMSSA-N 1 3 340.431 0.929 20 0 ECADHO CS(=O)(=O)N1CCN(CC[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168359886 755554035 /nfs/dbraw/zinc/55/40/35/755554035.db2.gz GLCOXJZODIVRAT-UHFFFAOYSA-N 1 3 344.525 0.028 20 0 ECADHO C[C@@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001010328880 756009608 /nfs/dbraw/zinc/00/96/08/756009608.db2.gz YNOJBDTZFZXHPE-KGLIPLIRSA-N 1 3 347.463 0.647 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ccnn2C)C1 ZINC001051612291 762468227 /nfs/dbraw/zinc/46/82/27/762468227.db2.gz QOLZHBCLTKBWOU-IRXDYDNUSA-N 1 3 349.479 0.610 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ccnn2C)C1 ZINC001051612291 762468232 /nfs/dbraw/zinc/46/82/32/762468232.db2.gz QOLZHBCLTKBWOU-IRXDYDNUSA-N 1 3 349.479 0.610 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051616299 762482479 /nfs/dbraw/zinc/48/24/79/762482479.db2.gz IKQCVPCEPMZXJY-IAGOWNOFSA-N 1 3 347.463 0.079 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001076629763 756752648 /nfs/dbraw/zinc/75/26/48/756752648.db2.gz VYEWHGWMDHVTCH-RRFJBIMHSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076629763 756752651 /nfs/dbraw/zinc/75/26/51/756752651.db2.gz VYEWHGWMDHVTCH-RRFJBIMHSA-N 1 3 326.485 0.679 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001011251634 757291849 /nfs/dbraw/zinc/29/18/49/757291849.db2.gz QOAZEWNUDQYPHK-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001011251634 757291856 /nfs/dbraw/zinc/29/18/56/757291856.db2.gz QOAZEWNUDQYPHK-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC000996299854 757309512 /nfs/dbraw/zinc/30/95/12/757309512.db2.gz FOEZWPKTYXMGNB-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944365 757479283 /nfs/dbraw/zinc/47/92/83/757479283.db2.gz VJTSGPWCBFROEQ-XFHVWQCUSA-N 1 3 333.476 0.896 20 0 ECADHO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944365 757479288 /nfs/dbraw/zinc/47/92/88/757479288.db2.gz VJTSGPWCBFROEQ-XFHVWQCUSA-N 1 3 333.476 0.896 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@H]2C1)[NH+](C)C ZINC001049039455 757758433 /nfs/dbraw/zinc/75/84/33/757758433.db2.gz QLRMJSQMHYEICD-CAOSSQGBSA-N 1 3 338.496 0.440 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049057328 757804256 /nfs/dbraw/zinc/80/42/56/757804256.db2.gz DONZTVPLGAMJFX-XUWVNRHRSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049057328 757804264 /nfs/dbraw/zinc/80/42/64/757804264.db2.gz DONZTVPLGAMJFX-XUWVNRHRSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC001021710060 757838639 /nfs/dbraw/zinc/83/86/39/757838639.db2.gz YSDAPQGGOVJITO-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC001021710060 757838652 /nfs/dbraw/zinc/83/86/52/757838652.db2.gz YSDAPQGGOVJITO-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@H]2C1)N(C)C ZINC001049065559 757855386 /nfs/dbraw/zinc/85/53/86/757855386.db2.gz VYYIPFJTPLEEAA-BBWFWOEESA-N 1 3 333.480 0.959 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@@H]2C1)N(C)C ZINC001049065559 757855397 /nfs/dbraw/zinc/85/53/97/757855397.db2.gz VYYIPFJTPLEEAA-BBWFWOEESA-N 1 3 333.480 0.959 20 0 ECADHO CCN(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001077107394 758207637 /nfs/dbraw/zinc/20/76/37/758207637.db2.gz GAZURGNBVIXURJ-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001011657127 758221802 /nfs/dbraw/zinc/22/18/02/758221802.db2.gz NVLULXSWSKCKHO-OAHLLOKOSA-N 1 3 334.464 0.237 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001022118893 758298134 /nfs/dbraw/zinc/29/81/34/758298134.db2.gz ACHHXUKUYPNTRQ-FSDCSDTHSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001022118893 758298144 /nfs/dbraw/zinc/29/81/44/758298144.db2.gz ACHHXUKUYPNTRQ-FSDCSDTHSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022119347 758301252 /nfs/dbraw/zinc/30/12/52/758301252.db2.gz DSXQUNIDLNTZPG-JYYAWHABSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022119347 758301264 /nfs/dbraw/zinc/30/12/64/758301264.db2.gz DSXQUNIDLNTZPG-JYYAWHABSA-N 1 3 345.447 0.385 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)C1 ZINC001022196949 758406547 /nfs/dbraw/zinc/40/65/47/758406547.db2.gz VKBGQHAUAWPAHD-KFWWJZLASA-N 1 3 334.468 0.530 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)C1 ZINC001022196949 758406550 /nfs/dbraw/zinc/40/65/50/758406550.db2.gz VKBGQHAUAWPAHD-KFWWJZLASA-N 1 3 334.468 0.530 20 0 ECADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1=O ZINC000996664659 758409357 /nfs/dbraw/zinc/40/93/57/758409357.db2.gz LEFRHUYQYNVAPS-HNNXBMFYSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1=O ZINC000996690935 758485693 /nfs/dbraw/zinc/48/56/93/758485693.db2.gz ADLQFBRTWMDNKZ-HOTGVXAUSA-N 1 3 338.496 0.774 20 0 ECADHO Cc1ccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1 ZINC001127779703 758627526 /nfs/dbraw/zinc/62/75/26/758627526.db2.gz QKCVGORHHNJTOB-IAGOWNOFSA-N 1 3 332.448 0.767 20 0 ECADHO Cc1ccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)n1 ZINC001127779703 758627527 /nfs/dbraw/zinc/62/75/27/758627527.db2.gz QKCVGORHHNJTOB-IAGOWNOFSA-N 1 3 332.448 0.767 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022454931 758746375 /nfs/dbraw/zinc/74/63/75/758746375.db2.gz COFKZOYDYGGTMI-STYQSPRISA-N 1 3 349.475 0.656 20 0 ECADHO O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418751 759037177 /nfs/dbraw/zinc/03/71/77/759037177.db2.gz ZHNJVMJBKJFPBO-CBYDULDESA-N 1 3 349.475 0.201 20 0 ECADHO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418751 759037188 /nfs/dbraw/zinc/03/71/88/759037188.db2.gz ZHNJVMJBKJFPBO-CBYDULDESA-N 1 3 349.475 0.201 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001022808456 759129996 /nfs/dbraw/zinc/12/99/96/759129996.db2.gz VZZVAPFQJFKTJE-OWCLPIDISA-N 1 3 336.480 0.718 20 0 ECADHO O=C(N1CCC[C@@H]2[C@H]1CCN2CCn1cncn1)C12CC[NH+](CC1)C2 ZINC001049845092 759292216 /nfs/dbraw/zinc/29/22/16/759292216.db2.gz ACNNYFUOAOXMFT-HZPDHXFCSA-N 1 3 344.463 0.439 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CCn2cncn2)C1 ZINC001049898470 759377265 /nfs/dbraw/zinc/37/72/65/759377265.db2.gz YTDPRKOLCPZWGE-HRCADAONSA-N 1 3 332.452 0.295 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CCn2cncn2)C1 ZINC001049898470 759377276 /nfs/dbraw/zinc/37/72/76/759377276.db2.gz YTDPRKOLCPZWGE-HRCADAONSA-N 1 3 332.452 0.295 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083781342 759399557 /nfs/dbraw/zinc/39/95/57/759399557.db2.gz CXXVRNYUHSHHDS-KEYYUXOJSA-N 1 3 327.444 0.770 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083781342 759399568 /nfs/dbraw/zinc/39/95/68/759399568.db2.gz CXXVRNYUHSHHDS-KEYYUXOJSA-N 1 3 327.444 0.770 20 0 ECADHO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047982600 759769864 /nfs/dbraw/zinc/76/98/64/759769864.db2.gz KOLFNKVGGFKIDK-UKRRQHHQSA-N 1 3 343.431 0.678 20 0 ECADHO CCn1cc(CN[C@H](C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001048041513 759871620 /nfs/dbraw/zinc/87/16/20/759871620.db2.gz XZSVZXXFSNXXGT-CABCVRRESA-N 1 3 346.479 0.720 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001050224776 759977207 /nfs/dbraw/zinc/97/72/07/759977207.db2.gz UZDIZSMBKSNPSL-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050238649 760029129 /nfs/dbraw/zinc/02/91/29/760029129.db2.gz ZJMSHBOSCGTDTN-ZFWWWQNUSA-N 1 3 333.436 0.401 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127707142 760040226 /nfs/dbraw/zinc/04/02/26/760040226.db2.gz VTQYJMGORVCBIP-HZSPNIEDSA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127707142 760040238 /nfs/dbraw/zinc/04/02/38/760040238.db2.gz VTQYJMGORVCBIP-HZSPNIEDSA-N 1 3 326.485 0.726 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000945399526 760221862 /nfs/dbraw/zinc/22/18/62/760221862.db2.gz RAHVUQNYJHGCEQ-MRXNPFEDSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000945399912 760222918 /nfs/dbraw/zinc/22/29/18/760222918.db2.gz USQMUKXPXMYXBK-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000945399912 760222925 /nfs/dbraw/zinc/22/29/25/760222925.db2.gz USQMUKXPXMYXBK-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001050461710 760304171 /nfs/dbraw/zinc/30/41/71/760304171.db2.gz IEAYDZHWALKSNG-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)CN1CCCC1 ZINC001012622196 760453171 /nfs/dbraw/zinc/45/31/71/760453171.db2.gz SKQBILGHPDYQFE-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C)on1 ZINC001048477888 760591109 /nfs/dbraw/zinc/59/11/09/760591109.db2.gz WUUMVOLQGOIRAS-UONOGXRCSA-N 1 3 336.436 0.963 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050649996 760626937 /nfs/dbraw/zinc/62/69/37/760626937.db2.gz AAZREOPMIVGFNJ-HUUCEWRRSA-N 1 3 338.496 0.632 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)C2 ZINC001048538408 760680176 /nfs/dbraw/zinc/68/01/76/760680176.db2.gz UAWAREQBWIFGAP-KSWRQPAISA-N 1 3 348.491 0.848 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)C2 ZINC001048538408 760680179 /nfs/dbraw/zinc/68/01/79/760680179.db2.gz UAWAREQBWIFGAP-KSWRQPAISA-N 1 3 348.491 0.848 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048542287 760687259 /nfs/dbraw/zinc/68/72/59/760687259.db2.gz BWWTYLYWLPIEJQ-QDMKHBRRSA-N 1 3 334.464 0.459 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001127077696 760821991 /nfs/dbraw/zinc/82/19/91/760821991.db2.gz HXJJHFLAEKIEKH-CQSZACIVSA-N 1 3 326.485 0.727 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001127077696 760822003 /nfs/dbraw/zinc/82/20/03/760822003.db2.gz HXJJHFLAEKIEKH-CQSZACIVSA-N 1 3 326.485 0.727 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991423306 760864564 /nfs/dbraw/zinc/86/45/64/760864564.db2.gz WRQWTSFEDSBYOY-JKSUJKDBSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1)N(C)C ZINC000991423306 760864574 /nfs/dbraw/zinc/86/45/74/760864574.db2.gz WRQWTSFEDSBYOY-JKSUJKDBSA-N 1 3 338.496 0.917 20 0 ECADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127081839 761008309 /nfs/dbraw/zinc/00/83/09/761008309.db2.gz DIHXTZBNYRHGFZ-CABCVRRESA-N 1 3 342.484 0.106 20 0 ECADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127081839 761008322 /nfs/dbraw/zinc/00/83/22/761008322.db2.gz DIHXTZBNYRHGFZ-CABCVRRESA-N 1 3 342.484 0.106 20 0 ECADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127081886 761014710 /nfs/dbraw/zinc/01/47/10/761014710.db2.gz FITUKTLPSJNWOS-GJZGRUSLSA-N 1 3 326.485 0.870 20 0 ECADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127081886 761014721 /nfs/dbraw/zinc/01/47/21/761014721.db2.gz FITUKTLPSJNWOS-GJZGRUSLSA-N 1 3 326.485 0.870 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001048723668 761040954 /nfs/dbraw/zinc/04/09/54/761040954.db2.gz LWEBFFSDWUHDIH-XHSDSOJGSA-N 1 3 334.464 0.093 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001048723668 761040961 /nfs/dbraw/zinc/04/09/61/761040961.db2.gz LWEBFFSDWUHDIH-XHSDSOJGSA-N 1 3 334.464 0.093 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCc1ccnn1C ZINC001106249685 768016066 /nfs/dbraw/zinc/01/60/66/768016066.db2.gz NIMUFPUOOYSJSI-QGPMSJSTSA-N 1 3 347.507 0.987 20 0 ECADHO O=C(NCc1cccc2c1CCN(CCO)C2)C12CC[NH+](CC1)C2 ZINC001051305862 761859322 /nfs/dbraw/zinc/85/93/22/761859322.db2.gz VSICKSDDEUGZCQ-UHFFFAOYSA-N 1 3 329.444 0.749 20 0 ECADHO O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001031857305 763091438 /nfs/dbraw/zinc/09/14/38/763091438.db2.gz RRHFTDDPUDIMNA-YQSWOPOKSA-N 1 3 349.475 0.467 20 0 ECADHO CCOC1CC(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC001051848540 763103449 /nfs/dbraw/zinc/10/34/49/763103449.db2.gz UQRYAUMKVIXCTL-BCLQGDPASA-N 1 3 336.436 0.584 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001051859224 763132223 /nfs/dbraw/zinc/13/22/23/763132223.db2.gz WDXKTNAIBHSROO-QGZVFWFLSA-N 1 3 349.479 0.469 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051901707 763274161 /nfs/dbraw/zinc/27/41/61/763274161.db2.gz LWLXZFJBOCZYGA-ZBFHGGJFSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051901707 763274163 /nfs/dbraw/zinc/27/41/63/763274163.db2.gz LWLXZFJBOCZYGA-ZBFHGGJFSA-N 1 3 335.452 0.079 20 0 ECADHO O=C(N1CCO[C@@H](CNCc2cccnc2)C1)C12CC[NH+](CC1)C2 ZINC001051904634 763289866 /nfs/dbraw/zinc/28/98/66/763289866.db2.gz SRVYSBSSLUOUNX-INIZCTEOSA-N 1 3 330.432 0.494 20 0 ECADHO Cc1ccc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)c(C)n1 ZINC001051930507 763363985 /nfs/dbraw/zinc/36/39/85/763363985.db2.gz NYYPRCYMQPYAMZ-QZTJIDSGSA-N 1 3 346.475 0.967 20 0 ECADHO Cc1ccc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)c(C)n1 ZINC001051930507 763363992 /nfs/dbraw/zinc/36/39/92/763363992.db2.gz NYYPRCYMQPYAMZ-QZTJIDSGSA-N 1 3 346.475 0.967 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051932173 763373148 /nfs/dbraw/zinc/37/31/48/763373148.db2.gz MBTZJCZPAVITLC-JKSUJKDBSA-N 1 3 333.436 0.054 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051932173 763373156 /nfs/dbraw/zinc/37/31/56/763373156.db2.gz MBTZJCZPAVITLC-JKSUJKDBSA-N 1 3 333.436 0.054 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001014956485 763542328 /nfs/dbraw/zinc/54/23/28/763542328.db2.gz VELXZAOAPXXYQT-IAGOWNOFSA-N 1 3 344.459 0.960 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001014956485 763542334 /nfs/dbraw/zinc/54/23/34/763542334.db2.gz VELXZAOAPXXYQT-IAGOWNOFSA-N 1 3 344.459 0.960 20 0 ECADHO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001014956485 763542338 /nfs/dbraw/zinc/54/23/38/763542338.db2.gz VELXZAOAPXXYQT-IAGOWNOFSA-N 1 3 344.459 0.960 20 0 ECADHO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001014956485 763542345 /nfs/dbraw/zinc/54/23/45/763542345.db2.gz VELXZAOAPXXYQT-IAGOWNOFSA-N 1 3 344.459 0.960 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC001052027312 763620650 /nfs/dbraw/zinc/62/06/50/763620650.db2.gz DPDMRMPFLKPWRA-MOPGFXCFSA-N 1 3 346.519 0.957 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1C(=O)Cc1c[nH]cn1 ZINC001015084289 763846643 /nfs/dbraw/zinc/84/66/43/763846643.db2.gz KFOMVAQDKKTYFC-HIFRSBDPSA-N 1 3 345.447 0.544 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001054734432 768206849 /nfs/dbraw/zinc/20/68/49/768206849.db2.gz ANBOCQZGIRVBRC-WMLDXEAASA-N 1 3 346.475 0.806 20 0 ECADHO CCCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463731 764419639 /nfs/dbraw/zinc/41/96/39/764419639.db2.gz PGNFRWNINWWJJX-XJADACSNSA-N 1 3 337.464 0.153 20 0 ECADHO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463731 764419643 /nfs/dbraw/zinc/41/96/43/764419643.db2.gz PGNFRWNINWWJJX-XJADACSNSA-N 1 3 337.464 0.153 20 0 ECADHO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573128 764782114 /nfs/dbraw/zinc/78/21/14/764782114.db2.gz UCTCDIUUHZYDGB-BNQMIIOLSA-N 1 3 337.464 0.467 20 0 ECADHO COCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573128 764782122 /nfs/dbraw/zinc/78/21/22/764782122.db2.gz UCTCDIUUHZYDGB-BNQMIIOLSA-N 1 3 337.464 0.467 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCCN1CCCC1=O ZINC001089039551 764842221 /nfs/dbraw/zinc/84/22/21/764842221.db2.gz SQSZDXQBTQQSQK-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCCN1CCCC1=O ZINC001089039551 764842227 /nfs/dbraw/zinc/84/22/27/764842227.db2.gz SQSZDXQBTQQSQK-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C(=O)CN1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992117320 765543834 /nfs/dbraw/zinc/54/38/34/765543834.db2.gz IXTJFXQBDCIBJD-DAYGRLMNSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C(=O)CN1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992117320 765543838 /nfs/dbraw/zinc/54/38/38/765543838.db2.gz IXTJFXQBDCIBJD-DAYGRLMNSA-N 1 3 336.480 0.672 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001053115858 765602983 /nfs/dbraw/zinc/60/29/83/765602983.db2.gz SBYDNLWRTNCDMH-CVEARBPZSA-N 1 3 340.512 0.881 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001053115861 765603347 /nfs/dbraw/zinc/60/33/47/765603347.db2.gz SBYDNLWRTNCDMH-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1cncn1C ZINC001054854480 768340546 /nfs/dbraw/zinc/34/05/46/768340546.db2.gz UYCIPQWOYWCLMX-GDBMZVCRSA-N 1 3 331.464 0.985 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001053504563 766251031 /nfs/dbraw/zinc/25/10/31/766251031.db2.gz SZNFVFRGGOTJFQ-ZIAGYGMSSA-N 1 3 347.463 0.505 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@H](n3cc(CNCC4CC4)nn3)C2)CC1 ZINC001089590226 766365364 /nfs/dbraw/zinc/36/53/64/766365364.db2.gz YPFSPCJTSYYJQZ-KRWDZBQOSA-N 1 3 346.479 0.893 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001077516453 766374318 /nfs/dbraw/zinc/37/43/18/766374318.db2.gz NGMGVVBVLSMBMA-KKUMJFAQSA-N 1 3 328.501 0.924 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O)C1CCC1 ZINC001045795029 766380954 /nfs/dbraw/zinc/38/09/54/766380954.db2.gz LSRVEHTWDITTQB-PMPSAXMXSA-N 1 3 334.464 0.425 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O)C1CCC1 ZINC001045795029 766380964 /nfs/dbraw/zinc/38/09/64/766380964.db2.gz LSRVEHTWDITTQB-PMPSAXMXSA-N 1 3 334.464 0.425 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000992394157 766463455 /nfs/dbraw/zinc/46/34/55/766463455.db2.gz XHSAHLNZBHDGSU-LSDHHAIUSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000992394157 766463456 /nfs/dbraw/zinc/46/34/56/766463456.db2.gz XHSAHLNZBHDGSU-LSDHHAIUSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC[N@@H+]1C ZINC000992393151 766465932 /nfs/dbraw/zinc/46/59/32/766465932.db2.gz PEVJWSZTRUJAMA-XHSDSOJGSA-N 1 3 338.496 0.630 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC[N@H+]1C ZINC000992393151 766465936 /nfs/dbraw/zinc/46/59/36/766465936.db2.gz PEVJWSZTRUJAMA-XHSDSOJGSA-N 1 3 338.496 0.630 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCN2CCCC2=O)C1 ZINC001045890681 766471419 /nfs/dbraw/zinc/47/14/19/766471419.db2.gz NIRQTNSSBNOJHG-BBWFWOEESA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCN2CCCC2=O)C1 ZINC001045890681 766471426 /nfs/dbraw/zinc/47/14/26/766471426.db2.gz NIRQTNSSBNOJHG-BBWFWOEESA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727792 766861511 /nfs/dbraw/zinc/86/15/11/766861511.db2.gz UGEZJZZWOOZZDE-CJNGLKHVSA-N 1 3 325.453 0.059 20 0 ECADHO C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727792 766861519 /nfs/dbraw/zinc/86/15/19/766861519.db2.gz UGEZJZZWOOZZDE-CJNGLKHVSA-N 1 3 325.453 0.059 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000994843600 766932446 /nfs/dbraw/zinc/93/24/46/766932446.db2.gz YOXYMGCBGCVWGM-OAHLLOKOSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016798796 766949034 /nfs/dbraw/zinc/94/90/34/766949034.db2.gz DLABIGIKRXDSDH-HUUCEWRRSA-N 1 3 336.480 0.563 20 0 ECADHO CN1CC[C@H](N2CCC3(C[C@H]3NC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001016799425 766949785 /nfs/dbraw/zinc/94/97/85/766949785.db2.gz JXVGBWBIYCPSLQ-JKSUJKDBSA-N 1 3 348.491 0.530 20 0 ECADHO Cn1nccc1CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570692 766976627 /nfs/dbraw/zinc/97/66/27/766976627.db2.gz CLPFCSVCFKINSU-SJORKVTESA-N 1 3 349.479 0.373 20 0 ECADHO CCN(C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)C1CC1 ZINC001127263137 767004244 /nfs/dbraw/zinc/00/42/44/767004244.db2.gz SHNWMBSZAFWKNO-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO CCN(C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C1CC1 ZINC001127263137 767004253 /nfs/dbraw/zinc/00/42/53/767004253.db2.gz SHNWMBSZAFWKNO-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1ncsc1CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576429 767053274 /nfs/dbraw/zinc/05/32/74/767053274.db2.gz PNNIWGDUWWKSOG-UHFFFAOYSA-N 1 3 336.465 0.729 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@]2(C)CCN(CCCF)C2)n1 ZINC001046324762 767149400 /nfs/dbraw/zinc/14/94/00/767149400.db2.gz ACBXAPWOGPDQJM-MRXNPFEDSA-N 1 3 325.432 0.999 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820763 767318775 /nfs/dbraw/zinc/31/87/75/767318775.db2.gz OPVXQSGCQXGDKL-ORQFMDKSSA-N 1 3 348.491 0.386 20 0 ECADHO CNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820763 767318776 /nfs/dbraw/zinc/31/87/76/767318776.db2.gz OPVXQSGCQXGDKL-ORQFMDKSSA-N 1 3 348.491 0.386 20 0 ECADHO O=C(NCC1C[NH+](CC[C@H]2CCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031856693 767446261 /nfs/dbraw/zinc/44/62/61/767446261.db2.gz GFTVXKUJOSSEJX-GZZPIAKFSA-N 1 3 349.475 0.324 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@H]([NH2+]CCn3cncn3)[C@@H]2C1 ZINC000992829214 767653007 /nfs/dbraw/zinc/65/30/07/767653007.db2.gz DPBXLCDUICTMSJ-IMJJTQAJSA-N 1 3 343.435 0.461 20 0 ECADHO O=C(C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21)N1CCC1 ZINC000992830757 767655689 /nfs/dbraw/zinc/65/56/89/767655689.db2.gz GWCLCFHTXTWXNG-FVQBIDKESA-N 1 3 345.447 0.401 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001098780454 767680448 /nfs/dbraw/zinc/68/04/48/767680448.db2.gz WHKMPYZMHJVHDT-NVXWUHKLSA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001098780454 767680451 /nfs/dbraw/zinc/68/04/51/767680451.db2.gz WHKMPYZMHJVHDT-NVXWUHKLSA-N 1 3 346.479 0.893 20 0 ECADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356591 768458942 /nfs/dbraw/zinc/45/89/42/768458942.db2.gz IOPOZWQZAUHLRO-OAHLLOKOSA-N 1 3 338.496 0.873 20 0 ECADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356591 768458948 /nfs/dbraw/zinc/45/89/48/768458948.db2.gz IOPOZWQZAUHLRO-OAHLLOKOSA-N 1 3 338.496 0.873 20 0 ECADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668837 768583315 /nfs/dbraw/zinc/58/33/15/768583315.db2.gz QIJWYOHUNLXWAF-RBSFLKMASA-N 1 3 338.496 0.537 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1)N(C)C ZINC001106674504 768585279 /nfs/dbraw/zinc/58/52/79/768585279.db2.gz YUOXHOMKOVRISW-OAGGEKHMSA-N 1 3 340.512 0.879 20 0 ECADHO CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704887 768693276 /nfs/dbraw/zinc/69/32/76/768693276.db2.gz HIVWAMDAFUMYGY-ZIAGYGMSSA-N 1 3 335.452 0.553 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001055347773 768805584 /nfs/dbraw/zinc/80/55/84/768805584.db2.gz AZMSKALYFGIJCH-IYBDPMFKSA-N 1 3 348.491 0.341 20 0 ECADHO CCC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001055412413 768870081 /nfs/dbraw/zinc/87/00/81/768870081.db2.gz XNEYBBOUYLRMJF-GASCZTMLSA-N 1 3 347.463 0.601 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001055412413 768870093 /nfs/dbraw/zinc/87/00/93/768870093.db2.gz XNEYBBOUYLRMJF-GASCZTMLSA-N 1 3 347.463 0.601 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000993811303 769662219 /nfs/dbraw/zinc/66/22/19/769662219.db2.gz ZVHHZKAJRFDEEY-HOTGVXAUSA-N 1 3 336.480 0.528 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000993811303 769662224 /nfs/dbraw/zinc/66/22/24/769662224.db2.gz ZVHHZKAJRFDEEY-HOTGVXAUSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000993877324 769774500 /nfs/dbraw/zinc/77/45/00/769774500.db2.gz MHISYXXUIYTZJU-KRWDZBQOSA-N 1 3 344.459 0.783 20 0 ECADHO C[C@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCCN1CCCO ZINC000993989969 769971128 /nfs/dbraw/zinc/97/11/28/769971128.db2.gz QANGWVIIUICFJT-HOCLYGCPSA-N 1 3 337.468 0.410 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001018835879 770048358 /nfs/dbraw/zinc/04/83/58/770048358.db2.gz PJBFAGZNTXKGPI-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001018835879 770048370 /nfs/dbraw/zinc/04/83/70/770048370.db2.gz PJBFAGZNTXKGPI-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)n1 ZINC001019000798 770532097 /nfs/dbraw/zinc/53/20/97/770532097.db2.gz QMGIGUFHIKCGIL-HOTGVXAUSA-N 1 3 336.484 0.672 20 0 ECADHO O=C(N1CC[C@H](N[C@@H]2CCCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001019030607 770604271 /nfs/dbraw/zinc/60/42/71/770604271.db2.gz NJIQFGXDTIZANF-LSDHHAIUSA-N 1 3 334.464 0.332 20 0 ECADHO CN1CCC[C@@H](N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001019231141 771034751 /nfs/dbraw/zinc/03/47/51/771034751.db2.gz OUBQYDLZQUSRTM-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCCCN1C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001019240600 771046996 /nfs/dbraw/zinc/04/69/96/771046996.db2.gz UFRAAJKAPPNYJY-HRCADAONSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)n1 ZINC001019382893 771229886 /nfs/dbraw/zinc/22/98/86/771229886.db2.gz OEUMQDCYXJDTJC-BBRMVZONSA-N 1 3 334.468 0.427 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]C[C@H]3CCc4ncnn43)C2)C1 ZINC001019386457 771236754 /nfs/dbraw/zinc/23/67/54/771236754.db2.gz PGAFBIADMGPJLG-LSDHHAIUSA-N 1 3 346.479 0.688 20 0 ECADHO C[C@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC1CCCC1 ZINC001127466646 771285440 /nfs/dbraw/zinc/28/54/40/771285440.db2.gz XRLSSGLFJGADRX-BBRMVZONSA-N 1 3 336.480 0.481 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccccc1 ZINC001127475152 771305874 /nfs/dbraw/zinc/30/58/74/771305874.db2.gz RSKYXPOLMUOBTG-QGZVFWFLSA-N 1 3 344.459 0.350 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001056549406 771374424 /nfs/dbraw/zinc/37/44/24/771374424.db2.gz ZTYSOGLZASZPCZ-HOTGVXAUSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1)N(C)C ZINC001056715637 771546200 /nfs/dbraw/zinc/54/62/00/771546200.db2.gz FHYINXZFIXPZOQ-ARFHVFGLSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001056717174 771549351 /nfs/dbraw/zinc/54/93/51/771549351.db2.gz YZWLLNUEYXSSOT-JKSUJKDBSA-N 1 3 338.496 0.728 20 0 ECADHO CN(C)c1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)ccn1 ZINC001019775769 771784896 /nfs/dbraw/zinc/78/48/96/771784896.db2.gz CWUDMFZPGPHRMX-INIZCTEOSA-N 1 3 331.464 0.934 20 0 ECADHO C[C@H]1CCCN(C(=O)C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC001019776137 771784937 /nfs/dbraw/zinc/78/49/37/771784937.db2.gz YGRJMIRYZKAFSK-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccccn2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001020178891 772249897 /nfs/dbraw/zinc/24/98/97/772249897.db2.gz IDNIKYHEDYKBCN-LUKYLMHMSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccccn2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001020178891 772249898 /nfs/dbraw/zinc/24/98/98/772249898.db2.gz IDNIKYHEDYKBCN-LUKYLMHMSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001020179337 772251439 /nfs/dbraw/zinc/25/14/39/772251439.db2.gz XTGCJVBBZUBPJO-QAETUUGQSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001020179336 772251767 /nfs/dbraw/zinc/25/17/67/772251767.db2.gz XTGCJVBBZUBPJO-LUKYLMHMSA-N 1 3 330.432 0.682 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CN1CCC[C@@H]1C ZINC001078466339 782999844 /nfs/dbraw/zinc/99/98/44/782999844.db2.gz ZDGOBVAHGCLCTN-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CN1CCC[C@@H]1C ZINC001078466339 782999850 /nfs/dbraw/zinc/99/98/50/782999850.db2.gz ZDGOBVAHGCLCTN-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO Cn1cnc2cc(C(=O)N[C@H]3C[C@H]([NH2+]CC(=O)N4CCC4)C3)ccc21 ZINC001020316470 772438031 /nfs/dbraw/zinc/43/80/31/772438031.db2.gz NGRWVXHDRWFCBX-HDJSIYSDSA-N 1 3 341.415 0.656 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406327 772550314 /nfs/dbraw/zinc/55/03/14/772550314.db2.gz RAFUXDNBHPYKFS-RVKOJVRFSA-N 1 3 342.443 0.682 20 0 ECADHO C[C@@H]1C[C@@H](NCc2ccn(C)n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825539 774654296 /nfs/dbraw/zinc/65/42/96/774654296.db2.gz UZAPTBYHWARBCL-CABCVRRESA-N 1 3 331.464 0.985 20 0 ECADHO CN(CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O)C1CCC1 ZINC001045070454 774930134 /nfs/dbraw/zinc/93/01/34/774930134.db2.gz GNUGAXDSRGFVQE-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2n2ccnn2)CC1 ZINC001070015096 790330671 /nfs/dbraw/zinc/33/06/71/790330671.db2.gz DFPDZIZRWYPHIV-SJORKVTESA-N 1 3 346.479 0.762 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001045219995 775165020 /nfs/dbraw/zinc/16/50/20/775165020.db2.gz WVHGGMOUFPLMPQ-KBPBESRZSA-N 1 3 329.408 0.312 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(CCn3cncn3)CC2)CC[N@@H+]1C ZINC001045445185 775618823 /nfs/dbraw/zinc/61/88/23/775618823.db2.gz XXHWQGOQPNJSFG-HUUCEWRRSA-N 1 3 334.468 0.589 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(CCn3cncn3)CC2)CC[N@H+]1C ZINC001045445185 775618830 /nfs/dbraw/zinc/61/88/30/775618830.db2.gz XXHWQGOQPNJSFG-HUUCEWRRSA-N 1 3 334.468 0.589 20 0 ECADHO C[C@@H]1CN(CCCF)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717738 776755212 /nfs/dbraw/zinc/75/52/12/776755212.db2.gz ZHEDDJMWNWIFBE-UKRRQHHQSA-N 1 3 325.432 0.854 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001079931167 777106710 /nfs/dbraw/zinc/10/67/10/777106710.db2.gz LRNFCJCVTFAPDS-HOCLYGCPSA-N 1 3 338.496 0.584 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001079931167 777106714 /nfs/dbraw/zinc/10/67/14/777106714.db2.gz LRNFCJCVTFAPDS-HOCLYGCPSA-N 1 3 338.496 0.584 20 0 ECADHO CCN(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079997239 777206941 /nfs/dbraw/zinc/20/69/41/777206941.db2.gz MADGOSJPFAHLOJ-AWEZNQCLSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079997239 777206946 /nfs/dbraw/zinc/20/69/46/777206946.db2.gz MADGOSJPFAHLOJ-AWEZNQCLSA-N 1 3 338.496 0.728 20 0 ECADHO CCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070075735 790520919 /nfs/dbraw/zinc/52/09/19/790520919.db2.gz CCALYFNGACAISW-XHSDSOJGSA-N 1 3 334.468 0.762 20 0 ECADHO CCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070075735 790520926 /nfs/dbraw/zinc/52/09/26/790520926.db2.gz CCALYFNGACAISW-XHSDSOJGSA-N 1 3 334.468 0.762 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001080141327 777452518 /nfs/dbraw/zinc/45/25/18/777452518.db2.gz DZLKRRFYQKVBMQ-CYBMUJFWSA-N 1 3 333.436 0.353 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001080141327 777452519 /nfs/dbraw/zinc/45/25/19/777452519.db2.gz DZLKRRFYQKVBMQ-CYBMUJFWSA-N 1 3 333.436 0.353 20 0 ECADHO CC(C)CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097146 790596913 /nfs/dbraw/zinc/59/69/13/790596913.db2.gz FBFJABKMBIQXPL-XHSDSOJGSA-N 1 3 334.468 0.617 20 0 ECADHO CC(C)CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097146 790596925 /nfs/dbraw/zinc/59/69/25/790596925.db2.gz FBFJABKMBIQXPL-XHSDSOJGSA-N 1 3 334.468 0.617 20 0 ECADHO O=C(N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001042314895 780057738 /nfs/dbraw/zinc/05/77/38/780057738.db2.gz XALXCJUPIXOTCY-CVEARBPZSA-N 1 3 344.463 0.297 20 0 ECADHO CN1CC[C@@H](N2CC[C@]3(CCN(C(=O)C4CC[NH+](C)CC4)C3)C2)C1=O ZINC001041626502 781881171 /nfs/dbraw/zinc/88/11/71/781881171.db2.gz UYKOKCWEKKBZKO-APWZRJJASA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@H]2CCNC2=O)CC3)CC[N@@H+]1C ZINC001040708640 783307677 /nfs/dbraw/zinc/30/76/77/783307677.db2.gz VWRMIAWIZLVMOW-OAGGEKHMSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@H]2CCNC2=O)CC3)CC[N@H+]1C ZINC001040708640 783307688 /nfs/dbraw/zinc/30/76/88/783307688.db2.gz VWRMIAWIZLVMOW-OAGGEKHMSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCO ZINC001040006420 783404415 /nfs/dbraw/zinc/40/44/15/783404415.db2.gz AZRRVFPUXCXIGG-ZACQAIPSSA-N 1 3 339.480 0.402 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCO ZINC001040006420 783404420 /nfs/dbraw/zinc/40/44/20/783404420.db2.gz AZRRVFPUXCXIGG-ZACQAIPSSA-N 1 3 339.480 0.402 20 0 ECADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001037851724 783644136 /nfs/dbraw/zinc/64/41/36/783644136.db2.gz KFBZBWJEIYLOBT-JKSUJKDBSA-N 1 3 348.495 0.979 20 0 ECADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001037851719 783644414 /nfs/dbraw/zinc/64/44/14/783644414.db2.gz KFBZBWJEIYLOBT-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO CN(CC(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070209042 783660812 /nfs/dbraw/zinc/66/08/12/783660812.db2.gz KAFDSWOMQQSATR-SJORKVTESA-N 1 3 346.479 0.904 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001070275326 783780616 /nfs/dbraw/zinc/78/06/16/783780616.db2.gz GRJABLANULRKJQ-OIISXLGYSA-N 1 3 346.479 0.762 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)COCC[NH+](C)C)C1)N(C)C ZINC001070926458 784128613 /nfs/dbraw/zinc/12/86/13/784128613.db2.gz IHZJYXCCTIHVAR-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001070557096 784272253 /nfs/dbraw/zinc/27/22/53/784272253.db2.gz ZDKGDCXYSNGZCD-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001070557096 784272257 /nfs/dbraw/zinc/27/22/57/784272257.db2.gz ZDKGDCXYSNGZCD-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001071014971 784419333 /nfs/dbraw/zinc/41/93/33/784419333.db2.gz MANRAVGVHKSGOD-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001071014971 784419340 /nfs/dbraw/zinc/41/93/40/784419340.db2.gz MANRAVGVHKSGOD-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)CCC1 ZINC001070872384 784776720 /nfs/dbraw/zinc/77/67/20/784776720.db2.gz QBIQOFPNSUAANK-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001071323710 784953182 /nfs/dbraw/zinc/95/31/82/784953182.db2.gz WHRDFDLLVJHSGR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001071323710 784953195 /nfs/dbraw/zinc/95/31/95/784953195.db2.gz WHRDFDLLVJHSGR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001071346473 784986673 /nfs/dbraw/zinc/98/66/73/784986673.db2.gz RPIYJMQYADXFTR-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001071346473 784986678 /nfs/dbraw/zinc/98/66/78/784986678.db2.gz RPIYJMQYADXFTR-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001071346503 784986967 /nfs/dbraw/zinc/98/69/67/784986967.db2.gz SPQXPNXGICHEER-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001071346503 784986971 /nfs/dbraw/zinc/98/69/71/784986971.db2.gz SPQXPNXGICHEER-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001072368867 786091954 /nfs/dbraw/zinc/09/19/54/786091954.db2.gz HORMSMJQKJEGLI-UONOGXRCSA-N 1 3 330.436 0.960 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001074198652 786429474 /nfs/dbraw/zinc/42/94/74/786429474.db2.gz RNXQEJZNCXPEKR-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1NC(=O)CC[NH+](C)C ZINC001074199136 786430358 /nfs/dbraw/zinc/43/03/58/786430358.db2.gz XWQGTTIJOQVKRB-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO O=C(NC[C@@H]1CN(CCCO)CCCO1)C12CCC[NH+](CCC1)C2 ZINC001073652038 786876233 /nfs/dbraw/zinc/87/62/33/786876233.db2.gz NLHSAXLGKUPHQB-MRXNPFEDSA-N 1 3 339.480 0.452 20 0 ECADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074562035 787263004 /nfs/dbraw/zinc/26/30/04/787263004.db2.gz WKQNTTDAZALPAI-HRCADAONSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](O)CN1CCCO[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001073821216 787266168 /nfs/dbraw/zinc/26/61/68/787266168.db2.gz CRMRNWQICLTNNK-MAUKXSAKSA-N 1 3 349.475 0.950 20 0 ECADHO COc1coc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@H]2C)cc1=O ZINC001074565041 787269296 /nfs/dbraw/zinc/26/92/96/787269296.db2.gz OWUKOXKMXLLQAD-QEJZJMRPSA-N 1 3 349.431 0.822 20 0 ECADHO Cn1nccc1CCN1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073892202 787454067 /nfs/dbraw/zinc/45/40/67/787454067.db2.gz YFOOPLTWHPAKRC-DOTOQJQBSA-N 1 3 349.479 0.121 20 0 ECADHO Cn1nccc1CCN1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073892202 787454074 /nfs/dbraw/zinc/45/40/74/787454074.db2.gz YFOOPLTWHPAKRC-DOTOQJQBSA-N 1 3 349.479 0.121 20 0 ECADHO Cn1cc(CCN2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001073892247 787455482 /nfs/dbraw/zinc/45/54/82/787455482.db2.gz ZDXULBGWOULIOM-SJORKVTESA-N 1 3 349.479 0.121 20 0 ECADHO Cn1cc(CCN2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001073892247 787455485 /nfs/dbraw/zinc/45/54/85/787455485.db2.gz ZDXULBGWOULIOM-SJORKVTESA-N 1 3 349.479 0.121 20 0 ECADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001074655028 787516020 /nfs/dbraw/zinc/51/60/20/787516020.db2.gz RWEVPLQOFPYJPW-JQFCIGGWSA-N 1 3 331.464 0.841 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001074090320 787857563 /nfs/dbraw/zinc/85/75/63/787857563.db2.gz NCPPOYWPTDHBSQ-OCCSQVGLSA-N 1 3 335.452 0.566 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001072801356 788832893 /nfs/dbraw/zinc/83/28/93/788832893.db2.gz QGNPPUXXLOZFGL-GOEBONIOSA-N 1 3 347.463 0.791 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1=O ZINC001075108669 788916895 /nfs/dbraw/zinc/91/68/95/788916895.db2.gz ALEUVFIEVLYTNM-YDHLFZDLSA-N 1 3 349.431 0.679 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)cc1=O ZINC001075108669 788916901 /nfs/dbraw/zinc/91/69/01/788916901.db2.gz ALEUVFIEVLYTNM-YDHLFZDLSA-N 1 3 349.431 0.679 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)CCN1C(=O)CN1CCCC1 ZINC001075108771 788917292 /nfs/dbraw/zinc/91/72/92/788917292.db2.gz LBHXVPBVTFJVLB-JYJNAYRXSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+][C@H]1CCCNC1=O ZINC001075170488 789019484 /nfs/dbraw/zinc/01/94/84/789019484.db2.gz WCRIMPCYPOVKJQ-HACGYAERSA-N 1 3 333.436 0.305 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001072981215 789207214 /nfs/dbraw/zinc/20/72/14/789207214.db2.gz AVJHUNGFNIPIID-JKSUJKDBSA-N 1 3 331.464 0.615 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001072981215 789207219 /nfs/dbraw/zinc/20/72/19/789207219.db2.gz AVJHUNGFNIPIID-JKSUJKDBSA-N 1 3 331.464 0.615 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCCN(C)C2=O)C3)C1 ZINC001072983432 789219633 /nfs/dbraw/zinc/21/96/33/789219633.db2.gz WFVLHKXQCLTQEA-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCCN(C)C2=O)C3)C1 ZINC001072983432 789219644 /nfs/dbraw/zinc/21/96/44/789219644.db2.gz WFVLHKXQCLTQEA-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001073239883 789647166 /nfs/dbraw/zinc/64/71/66/789647166.db2.gz ROFVQPFRJXKMGJ-UHFFFAOYSA-N 1 3 335.452 0.710 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001073455001 789862842 /nfs/dbraw/zinc/86/28/42/789862842.db2.gz WBHPZLCWBXAOJO-HOTGVXAUSA-N 1 3 346.479 0.685 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001067877820 792411337 /nfs/dbraw/zinc/41/13/37/792411337.db2.gz YNUFWRDLEDNKMQ-CVEARBPZSA-N 1 3 340.512 0.833 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001067877820 792411346 /nfs/dbraw/zinc/41/13/46/792411346.db2.gz YNUFWRDLEDNKMQ-CVEARBPZSA-N 1 3 340.512 0.833 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001068168939 792775314 /nfs/dbraw/zinc/77/53/14/792775314.db2.gz 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CCN(C)C(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001267171926 836905847 /nfs/dbraw/zinc/90/58/47/836905847.db2.gz QZLRNIUABWMQLI-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCOCCN1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267764402 838495566 /nfs/dbraw/zinc/49/55/66/838495566.db2.gz UQFUJPXJRULKEJ-OAHLLOKOSA-N 1 3 337.468 0.628 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000416982982 282098985 /nfs/dbraw/zinc/09/89/85/282098985.db2.gz WTRNHPNQAFSXAA-ZBFHGGJFSA-N 1 3 325.501 0.829 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000410473544 282251405 /nfs/dbraw/zinc/25/14/05/282251405.db2.gz VGSFXRKWXOTEFF-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)NCC1(N(C)C)CCC1)[NH+]1CCCCC1 ZINC000354676461 299093577 /nfs/dbraw/zinc/09/35/77/299093577.db2.gz VKTASCWLPXVAJS-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)[C@H](C)C1 ZINC000354683337 299096023 /nfs/dbraw/zinc/09/60/23/299096023.db2.gz MFLSHOZHXYEFQI-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)[C@H](C)C1 ZINC000354683337 299096027 /nfs/dbraw/zinc/09/60/27/299096027.db2.gz MFLSHOZHXYEFQI-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426482127 210153484 /nfs/dbraw/zinc/15/34/84/210153484.db2.gz JXQMAZWSOGLSKK-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426482127 210153487 /nfs/dbraw/zinc/15/34/87/210153487.db2.gz JXQMAZWSOGLSKK-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)C[C@H]21 ZINC000410848224 282387600 /nfs/dbraw/zinc/38/76/00/282387600.db2.gz YFYOPYQKCAAFLV-YESZJQIVSA-N 1 3 348.491 0.339 20 0 ECADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)C[C@H]21 ZINC000410848224 282387606 /nfs/dbraw/zinc/38/76/06/282387606.db2.gz YFYOPYQKCAAFLV-YESZJQIVSA-N 1 3 348.491 0.339 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425399199 210050332 /nfs/dbraw/zinc/05/03/32/210050332.db2.gz JBIPHIDLAZCENX-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C2)C1 ZINC000410491500 283101295 /nfs/dbraw/zinc/10/12/95/283101295.db2.gz GYMQIEYKCUBXFZ-QFBILLFUSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C2)C1 ZINC000410491500 283101297 /nfs/dbraw/zinc/10/12/97/283101297.db2.gz GYMQIEYKCUBXFZ-QFBILLFUSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000355295698 299232952 /nfs/dbraw/zinc/23/29/52/299232952.db2.gz GOBVCMFJAAJDPA-ILXRZTDVSA-N 1 3 326.485 0.679 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000410903099 283216602 /nfs/dbraw/zinc/21/66/02/283216602.db2.gz BBAFKSFXMPVRGG-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423417106 283231693 /nfs/dbraw/zinc/23/16/93/283231693.db2.gz RTKQKMSFGWGTDG-HNNXBMFYSA-N 1 3 342.484 0.143 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCC2CC[NH+](C)CC2)CCN1C ZINC000355860906 299311138 /nfs/dbraw/zinc/31/11/38/299311138.db2.gz ICOUWCQILKOPQB-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000420441735 209367492 /nfs/dbraw/zinc/36/74/92/209367492.db2.gz YAOLGHNSAJBBBI-CQSZACIVSA-N 1 3 343.497 0.482 20 0 ECADHO Cc1cc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)n2ncnc2n1 ZINC000420324291 209353505 /nfs/dbraw/zinc/35/35/05/209353505.db2.gz VCBUCCAFEQRWDQ-HNNXBMFYSA-N 1 3 329.452 0.944 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000420167668 209327768 /nfs/dbraw/zinc/32/77/68/209327768.db2.gz JJDXZZUXBULCQI-CYBMUJFWSA-N 1 3 340.493 0.753 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000420135887 209316610 /nfs/dbraw/zinc/31/66/10/209316610.db2.gz CJKWZHNXNOWNJI-LSDHHAIUSA-N 1 3 326.485 0.953 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000420135887 209316613 /nfs/dbraw/zinc/31/66/13/209316613.db2.gz CJKWZHNXNOWNJI-LSDHHAIUSA-N 1 3 326.485 0.953 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000420117267 209312092 /nfs/dbraw/zinc/31/20/92/209312092.db2.gz HDYTUFJKHPGMQN-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000420117267 209312093 /nfs/dbraw/zinc/31/20/93/209312093.db2.gz HDYTUFJKHPGMQN-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420120475 209311183 /nfs/dbraw/zinc/31/11/83/209311183.db2.gz LUTMVZRBMCUWPT-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420107176 209308067 /nfs/dbraw/zinc/30/80/67/209308067.db2.gz ALUSLOSIIZIBKO-JKSUJKDBSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000420001585 209274496 /nfs/dbraw/zinc/27/44/96/209274496.db2.gz VJEIINCXYABEGT-OAHLLOKOSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000419960719 209260801 /nfs/dbraw/zinc/26/08/01/209260801.db2.gz SOXHHITXESTGEO-OAHLLOKOSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000419939768 209254759 /nfs/dbraw/zinc/25/47/59/209254759.db2.gz JQPZYTLYUBTREV-LBPRGKRZSA-N 1 3 326.466 0.349 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000419846262 209222912 /nfs/dbraw/zinc/22/29/12/209222912.db2.gz GVAYDEAFPWKEMB-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCC[NH3+])CCN1Cc1ccccc1 ZINC000419832041 209215941 /nfs/dbraw/zinc/21/59/41/209215941.db2.gz ITPOQKQSNRACCI-RDJZCZTQSA-N 1 3 346.475 0.963 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419832465 209217615 /nfs/dbraw/zinc/21/76/15/209217615.db2.gz YHTAUBMQKLDPBY-AWEZNQCLSA-N 1 3 326.485 0.857 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419802207 209209040 /nfs/dbraw/zinc/20/90/40/209209040.db2.gz AMDOYELCWXUWLU-SJORKVTESA-N 1 3 344.459 0.717 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419802207 209209041 /nfs/dbraw/zinc/20/90/41/209209041.db2.gz AMDOYELCWXUWLU-SJORKVTESA-N 1 3 344.459 0.717 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419785021 209204474 /nfs/dbraw/zinc/20/44/74/209204474.db2.gz XVJRAGYYRLJWHB-SOUVJXGZSA-N 1 3 338.496 0.951 20 0 ECADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262514144 245011000 /nfs/dbraw/zinc/01/10/00/245011000.db2.gz MQASVAOWMBFFMF-MSOLQXFVSA-N 1 3 344.459 0.880 20 0 ECADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419703910 209178584 /nfs/dbraw/zinc/17/85/84/209178584.db2.gz XFBFCGOSSACBGR-HRCADAONSA-N 1 3 336.480 0.291 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000419698938 209176200 /nfs/dbraw/zinc/17/62/00/209176200.db2.gz QFULVOLTAVOJSQ-BZUAXINKSA-N 1 3 338.496 0.870 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000419652088 209158985 /nfs/dbraw/zinc/15/89/85/209158985.db2.gz WZYUAEIUEHTJLR-LJQANCHMSA-N 1 3 344.459 0.576 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)[C@H]1C[NH3+] ZINC000419646287 209156009 /nfs/dbraw/zinc/15/60/09/209156009.db2.gz QADDTPXIVXBIEN-YOEHRIQHSA-N 1 3 346.475 0.950 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C[C@@H]1C[NH3+] ZINC000419645570 209156341 /nfs/dbraw/zinc/15/63/41/209156341.db2.gz PGABQBSOXNSQDN-YOEHRIQHSA-N 1 3 346.475 0.808 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000419643417 209155176 /nfs/dbraw/zinc/15/51/76/209155176.db2.gz GOVDAGKFAIVDAX-CQSZACIVSA-N 1 3 334.464 0.958 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419643774 209154402 /nfs/dbraw/zinc/15/44/02/209154402.db2.gz NRRDHUTWENAQCK-MRXNPFEDSA-N 1 3 334.464 0.854 20 0 ECADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000419640623 209153682 /nfs/dbraw/zinc/15/36/82/209153682.db2.gz DGROEOPEUDCSQC-HIFRSBDPSA-N 1 3 332.448 0.710 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419591448 209134170 /nfs/dbraw/zinc/13/41/70/209134170.db2.gz VIVZJQBULQKONY-WFASDCNBSA-N 1 3 330.498 0.030 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCSC1 ZINC000419585434 209132734 /nfs/dbraw/zinc/13/27/34/209132734.db2.gz NHGAHTGQNAOPJU-WWGRRREGSA-N 1 3 342.509 0.174 20 0 ECADHO COC[C@H](C)OC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000447311006 211182105 /nfs/dbraw/zinc/18/21/05/211182105.db2.gz DMEKRJACASYNDR-XDNAFOTISA-N 1 3 343.512 0.357 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000410806231 284878172 /nfs/dbraw/zinc/87/81/72/284878172.db2.gz CZMNQDTYVUMSIV-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)CCN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000354684955 207804847 /nfs/dbraw/zinc/80/48/47/207804847.db2.gz XWHWBRBDQFODBK-INIZCTEOSA-N 1 3 332.448 0.840 20 0 ECADHO CN(C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411230630 208075076 /nfs/dbraw/zinc/07/50/76/208075076.db2.gz VKKIQZKQLNKZFE-UHFFFAOYSA-N 1 3 340.399 0.382 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415951266 208596395 /nfs/dbraw/zinc/59/63/95/208596395.db2.gz IWFHGSIZUKBWLK-UHFFFAOYSA-N 1 3 335.456 0.692 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000418767901 208846284 /nfs/dbraw/zinc/84/62/84/208846284.db2.gz RGUWBHKBHHXZBX-SFHVURJKSA-N 1 3 347.507 0.972 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419147272 209000642 /nfs/dbraw/zinc/00/06/42/209000642.db2.gz IEKVZWQJTZPZNR-OAHLLOKOSA-N 1 3 336.480 0.649 20 0 ECADHO CCOC(=O)N1CCC(NC(=O)CN2CCC[C@H](CC[NH3+])C2)CC1 ZINC000496924415 255142384 /nfs/dbraw/zinc/14/23/84/255142384.db2.gz UJOWBKRFIXLHLZ-CQSZACIVSA-N 1 3 340.468 0.784 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419429486 209092919 /nfs/dbraw/zinc/09/29/19/209092919.db2.gz UVKPCMURHMZNPI-CABCVRRESA-N 1 3 326.485 0.809 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H](C)CN1CCCCC1)C1CC[NH2+]CC1 ZINC000419426231 209091982 /nfs/dbraw/zinc/09/19/82/209091982.db2.gz QMJBITNQRSCRJM-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419165334 209008348 /nfs/dbraw/zinc/00/83/48/209008348.db2.gz GBJMXIJWXINGLS-HZPDHXFCSA-N 1 3 338.496 0.873 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419173370 209011972 /nfs/dbraw/zinc/01/19/72/209011972.db2.gz SMXFLRXYMXBWLM-HUUCEWRRSA-N 1 3 326.485 0.857 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419226009 209032545 /nfs/dbraw/zinc/03/25/45/209032545.db2.gz ICHBNXGDJGDSHZ-VQIMIIECSA-N 1 3 348.491 0.579 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419227513 209034022 /nfs/dbraw/zinc/03/40/22/209034022.db2.gz KQFMNODNKHVNSG-DOTOQJQBSA-N 1 3 346.475 0.691 20 0 ECADHO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419232808 209034954 /nfs/dbraw/zinc/03/49/54/209034954.db2.gz VFPRLWCPFZVRPW-MRXNPFEDSA-N 1 3 336.480 0.625 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419285094 209049233 /nfs/dbraw/zinc/04/92/33/209049233.db2.gz MHUBOCAMMYSQCV-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419418532 209089568 /nfs/dbraw/zinc/08/95/68/209089568.db2.gz YMJPUOCNPYRWRR-UHFFFAOYSA-N 1 3 346.475 0.822 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417760603 285317984 /nfs/dbraw/zinc/31/79/84/285317984.db2.gz XUBCZLPUSHRCHU-DOTOQJQBSA-N 1 3 337.512 0.796 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000417760607 285318005 /nfs/dbraw/zinc/31/80/05/285318005.db2.gz XUBCZLPUSHRCHU-RDJZCZTQSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC23CCN(C)CC3)C[C@@]1(C)C[NH3+] ZINC000423401411 296774155 /nfs/dbraw/zinc/77/41/55/296774155.db2.gz XQDLDQLQLLKYJK-RHSMWYFYSA-N 1 3 336.480 0.517 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247182934 165155494 /nfs/dbraw/zinc/15/54/94/165155494.db2.gz ZHMWXKBRYCMMNU-IRXDYDNUSA-N 1 3 341.496 0.962 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247182934 165155496 /nfs/dbraw/zinc/15/54/96/165155496.db2.gz ZHMWXKBRYCMMNU-IRXDYDNUSA-N 1 3 341.496 0.962 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000261643898 165220860 /nfs/dbraw/zinc/22/08/60/165220860.db2.gz IUEVKFCELKTUEO-INIZCTEOSA-N 1 3 336.436 0.665 20 0 ECADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261941095 165265919 /nfs/dbraw/zinc/26/59/19/165265919.db2.gz XNTFHNKVNUAWHG-UONOGXRCSA-N 1 3 344.381 0.509 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)N1CCC[C@@H](C)C1 ZINC000262212402 165307958 /nfs/dbraw/zinc/30/79/58/165307958.db2.gz IXHSSDKNLKCKCY-WTTBNOFXSA-N 1 3 333.480 0.960 20 0 ECADHO CN(C)CCn1ccc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)n1 ZINC000262706799 165377056 /nfs/dbraw/zinc/37/70/56/165377056.db2.gz BSAJHYDLEWAEBT-ZDUSSCGKSA-N 1 3 331.424 0.818 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000419405125 209083127 /nfs/dbraw/zinc/08/31/27/209083127.db2.gz HGLCGNGLZGFACC-UHFFFAOYSA-N 1 3 344.459 0.754 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419407992 209084982 /nfs/dbraw/zinc/08/49/82/209084982.db2.gz LEKYWPKLEJKWMB-GOEBONIOSA-N 1 3 338.496 0.858 20 0 ECADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419410620 209085900 /nfs/dbraw/zinc/08/59/00/209085900.db2.gz AUKWQSQEYTYGJT-QGZVFWFLSA-N 1 3 344.459 0.501 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@@H]1N(C)C ZINC000331638750 296950707 /nfs/dbraw/zinc/95/07/07/296950707.db2.gz IJTDAFJTRWGMLJ-KBMXLJTQSA-N 1 3 336.480 0.243 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2CCN(CCO)CC2)C1 ZINC000176184742 263152317 /nfs/dbraw/zinc/15/23/17/263152317.db2.gz DOELNELLBDNDND-HZPDHXFCSA-N 1 3 326.485 0.863 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000283366288 264110193 /nfs/dbraw/zinc/11/01/93/264110193.db2.gz IBWRXMLRZUQCEJ-QGZVFWFLSA-N 1 3 346.475 0.960 20 0 ECADHO CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000283366288 264110196 /nfs/dbraw/zinc/11/01/96/264110196.db2.gz IBWRXMLRZUQCEJ-QGZVFWFLSA-N 1 3 346.475 0.960 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000285082347 264276826 /nfs/dbraw/zinc/27/68/26/264276826.db2.gz MKDJMHMNOCDRRK-RDJZCZTQSA-N 1 3 348.491 0.732 20 0 ECADHO C[C@H](CNC(=O)c1cncc(C(=O)NC[C@H](C)N(C)C)c1)[NH+](C)C ZINC000298601274 265265395 /nfs/dbraw/zinc/26/53/95/265265395.db2.gz GHSLEIBOBZPQOL-BETUJISGSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](CNC(=O)c1cncc(C(=O)NC[C@H](C)[NH+](C)C)c1)N(C)C ZINC000298601274 265265398 /nfs/dbraw/zinc/26/53/98/265265398.db2.gz GHSLEIBOBZPQOL-BETUJISGSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000418997141 278227895 /nfs/dbraw/zinc/22/78/95/278227895.db2.gz OGWCDIOTSGVAGT-WMLDXEAASA-N 1 3 346.475 0.950 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1=O ZINC000158789370 279305795 /nfs/dbraw/zinc/30/57/95/279305795.db2.gz BUCUCDDXLVEKSC-MDZRGWNJSA-N 1 3 348.491 0.531 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340215514 437603427 /nfs/dbraw/zinc/60/34/27/437603427.db2.gz IDUSQWJGDJAVGX-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])N1CCC(C)CC1 ZINC000419373676 280239959 /nfs/dbraw/zinc/23/99/59/280239959.db2.gz OQQCKPLLLCEUEK-GJZGRUSLSA-N 1 3 326.485 0.713 20 0 ECADHO CC[C@H]1CN(C(=O)CCCN2CCC([NH3+])CC2)CCN1C[C@@H](C)O ZINC000433138191 281131669 /nfs/dbraw/zinc/13/16/69/281131669.db2.gz RIPYJDIHTROBLR-WBVHZDCISA-N 1 3 340.512 0.493 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000340217194 437608071 /nfs/dbraw/zinc/60/80/71/437608071.db2.gz CUYIFEDLFXOTLE-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)Cc1ccc(N2CCN(C(=O)/C=C\C[NH+](C)C)CC2)nc1 ZINC000491842238 282021064 /nfs/dbraw/zinc/02/10/64/282021064.db2.gz DTWNFOLWEGGLDJ-WAYWQWQTSA-N 1 3 331.464 0.910 20 0 ECADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343639073 437610248 /nfs/dbraw/zinc/61/02/48/437610248.db2.gz LFDJYYNVNSCLBH-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343639073 437610251 /nfs/dbraw/zinc/61/02/51/437610251.db2.gz LFDJYYNVNSCLBH-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419139138 288863219 /nfs/dbraw/zinc/86/32/19/288863219.db2.gz SAXXWHWKVJUFLB-RFQIPJPRSA-N 1 3 340.468 0.205 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424457200 289019294 /nfs/dbraw/zinc/01/92/94/289019294.db2.gz YOUOGVFDZBEXAH-RBSFLKMASA-N 1 3 339.484 0.498 20 0 ECADHO CN(C)C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccc(F)cc1 ZINC000418771861 289207798 /nfs/dbraw/zinc/20/77/98/289207798.db2.gz WNIREBZDNVCTDN-CVEARBPZSA-N 1 3 337.443 0.631 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000332129139 297005720 /nfs/dbraw/zinc/00/57/20/297005720.db2.gz HTVMACQDTWEFRK-RKVPGOIHSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000332168923 297011379 /nfs/dbraw/zinc/01/13/79/297011379.db2.gz RNTYZSZXWYZAAA-BMFZPTHFSA-N 1 3 336.480 0.705 20 0 ECADHO CC1(C)CC(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000332573247 297053975 /nfs/dbraw/zinc/05/39/75/297053975.db2.gz XGCAUVGZJVTKNP-AWEZNQCLSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000332692545 297066013 /nfs/dbraw/zinc/06/60/13/297066013.db2.gz UPKXYTDFPHHAFY-HOCLYGCPSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1=O ZINC000360144031 299941261 /nfs/dbraw/zinc/94/12/61/299941261.db2.gz SPQIMJCAPMFGJV-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[NH+](C)C1CCC(NC(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000333236633 297119982 /nfs/dbraw/zinc/11/99/82/297119982.db2.gz DCJMTNVOSWGUHC-UHFFFAOYSA-N 1 3 347.467 0.881 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)CC[N@@H+]1C ZINC000333314400 297123365 /nfs/dbraw/zinc/12/33/65/297123365.db2.gz MDHSLKQWCPRKSY-OLZOCXBDSA-N 1 3 333.440 0.490 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)CC[N@H+]1C ZINC000333314400 297123366 /nfs/dbraw/zinc/12/33/66/297123366.db2.gz MDHSLKQWCPRKSY-OLZOCXBDSA-N 1 3 333.440 0.490 20 0 ECADHO C[C@@H]1CN(C(=O)Nc2cnc(N3CCNCC3)nc2)C[C@@H]1[NH+](C)C ZINC000333324903 297124455 /nfs/dbraw/zinc/12/44/55/297124455.db2.gz NLQILPBWEJLUGP-OCCSQVGLSA-N 1 3 333.440 0.300 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000338528892 297275936 /nfs/dbraw/zinc/27/59/36/297275936.db2.gz BPEMEPBLRPRUHI-HUUCEWRRSA-N 1 3 341.500 0.569 20 0 ECADHO CN(CCNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000339741017 297376066 /nfs/dbraw/zinc/37/60/66/297376066.db2.gz WPWQNXPBBFPBCW-UHFFFAOYSA-N 1 3 332.448 0.575 20 0 ECADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339748614 297378003 /nfs/dbraw/zinc/37/80/03/297378003.db2.gz GBZFRLQYTCAQDR-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000339752756 297378959 /nfs/dbraw/zinc/37/89/59/297378959.db2.gz GNHJSXZPPLVCGN-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343144696 297833279 /nfs/dbraw/zinc/83/32/79/297833279.db2.gz JIBCPTHOWGFOCB-KFWWJZLASA-N 1 3 326.485 0.489 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000346276192 298247860 /nfs/dbraw/zinc/24/78/60/298247860.db2.gz GXEBSEOHNYNRDK-LSDHHAIUSA-N 1 3 325.453 0.895 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421554718 298557565 /nfs/dbraw/zinc/55/75/65/298557565.db2.gz KSCLPOMJLJRTPH-QQFBHYJXSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)CCN1CCC([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000352102278 298886734 /nfs/dbraw/zinc/88/67/34/298886734.db2.gz KXLXVUVCLDANEM-JKSUJKDBSA-N 1 3 331.526 0.958 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000360677416 300014117 /nfs/dbraw/zinc/01/41/17/300014117.db2.gz YOOSSYZVQDPSJY-DZGCQCFKSA-N 1 3 330.498 0.444 20 0 ECADHO C[C@H](CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[N@H+](C)C1CC1 ZINC000361539961 300106039 /nfs/dbraw/zinc/10/60/39/300106039.db2.gz UEENETWYBIYNMV-NVXWUHKLSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@H](CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[N@@H+](C)C1CC1 ZINC000361539961 300106041 /nfs/dbraw/zinc/10/60/41/300106041.db2.gz UEENETWYBIYNMV-NVXWUHKLSA-N 1 3 337.512 0.891 20 0 ECADHO CC[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CCN1C[C@@H](C)O ZINC000362564475 300199101 /nfs/dbraw/zinc/19/91/01/300199101.db2.gz LBBXPKLCHNJLCN-MGPQQGTHSA-N 1 3 335.452 0.404 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362565346 300199197 /nfs/dbraw/zinc/19/91/97/300199197.db2.gz BAZLWRQVQDBCGM-GJZGRUSLSA-N 1 3 348.495 0.490 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000362746386 300216738 /nfs/dbraw/zinc/21/67/38/300216738.db2.gz HTLGWVSDZOQYEG-UHFFFAOYSA-N 1 3 336.480 0.485 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH+](C)C)CCCCC2)CC1=O ZINC000072799491 436054272 /nfs/dbraw/zinc/05/42/72/436054272.db2.gz BGGUAAZYGHORTQ-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)CN1CCN(C)CC1 ZINC000073659918 436088639 /nfs/dbraw/zinc/08/86/39/436088639.db2.gz PZDRTINZSWYRMP-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)CN1CCN(C)CC1 ZINC000073659918 436088646 /nfs/dbraw/zinc/08/86/46/436088646.db2.gz PZDRTINZSWYRMP-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000376406233 301259603 /nfs/dbraw/zinc/25/96/03/301259603.db2.gz CXTGHDTWKFIKGJ-UHFFFAOYSA-N 1 3 344.500 0.443 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000376406233 301259607 /nfs/dbraw/zinc/25/96/07/301259607.db2.gz CXTGHDTWKFIKGJ-UHFFFAOYSA-N 1 3 344.500 0.443 20 0 ECADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000076321184 436200597 /nfs/dbraw/zinc/20/05/97/436200597.db2.gz WMDQTJBMOISQEY-ZACQAIPSSA-N 1 3 339.480 0.759 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1=O ZINC000081410135 436345642 /nfs/dbraw/zinc/34/56/42/436345642.db2.gz QFSAKDBJILPZLP-GJZGRUSLSA-N 1 3 340.512 0.879 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@H](C)C1 ZINC000081444649 436346919 /nfs/dbraw/zinc/34/69/19/436346919.db2.gz QSFKBEQGSUAEQA-OAGGEKHMSA-N 1 3 338.496 0.585 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@H](C)C1 ZINC000081444649 436346920 /nfs/dbraw/zinc/34/69/20/436346920.db2.gz QSFKBEQGSUAEQA-OAGGEKHMSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C(C)C ZINC000517970368 301716356 /nfs/dbraw/zinc/71/63/56/301716356.db2.gz YDALCSDTDXOBBY-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCC[C@@H]1CN1CCCC1 ZINC000519381506 301740184 /nfs/dbraw/zinc/74/01/84/301740184.db2.gz RCTLEQVFXNTSEZ-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000521875244 301793430 /nfs/dbraw/zinc/79/34/30/301793430.db2.gz WFAPEYNHIXNEMO-CHWSQXEVSA-N 1 3 340.493 0.880 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)CNC(=O)c3ccco3)CC2)CC1 ZINC000051463992 436490667 /nfs/dbraw/zinc/49/06/67/436490667.db2.gz MSGIVEJXVXXFDT-UHFFFAOYSA-N 1 3 348.447 0.684 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(F)cc1 ZINC000530642045 302020631 /nfs/dbraw/zinc/02/06/31/302020631.db2.gz JFFSHOLOWMWPNB-UHFFFAOYSA-N 1 3 338.427 0.507 20 0 ECADHO CCC(CC)N1C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000530641781 302020900 /nfs/dbraw/zinc/02/09/00/302020900.db2.gz PDCLMGYFRIEARV-HNNXBMFYSA-N 1 3 340.512 0.975 20 0 ECADHO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000537717866 302154603 /nfs/dbraw/zinc/15/46/03/302154603.db2.gz BZBCKDPYIQAXTF-WBVHZDCISA-N 1 3 341.496 0.839 20 0 ECADHO C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000540967204 302181746 /nfs/dbraw/zinc/18/17/46/302181746.db2.gz HQRQXASMRPMLJW-HNNXBMFYSA-N 1 3 337.512 0.962 20 0 ECADHO C[C@@H](C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)N1CCN(C)CC1 ZINC000542605950 302200610 /nfs/dbraw/zinc/20/06/10/302200610.db2.gz GZSVQWOOEMXPCQ-HNNXBMFYSA-N 1 3 346.479 0.408 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC2CCC(C[NH+](C)C)CC2)CC1=O ZINC000119782179 436671779 /nfs/dbraw/zinc/67/17/79/436671779.db2.gz MYZQNVSJHHMEKB-HWOWSKLDSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC[N@H+](C)CC ZINC000245697441 436766234 /nfs/dbraw/zinc/76/62/34/436766234.db2.gz WYOZQDSDDHUBHH-HUUCEWRRSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000245697441 436766239 /nfs/dbraw/zinc/76/62/39/436766239.db2.gz WYOZQDSDDHUBHH-HUUCEWRRSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236839715 436718940 /nfs/dbraw/zinc/71/89/40/436718940.db2.gz QMDQPCORHGXKAN-AWEZNQCLSA-N 1 3 342.509 0.094 20 0 ECADHO COC[C@@](C)(CCO)NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274157878 436802652 /nfs/dbraw/zinc/80/26/52/436802652.db2.gz YYTSPHNMENDSOI-FUHWJXTLSA-N 1 3 337.464 0.783 20 0 ECADHO OCCO[C@@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@@H](OCCO)C2)C1 ZINC000255639705 436854658 /nfs/dbraw/zinc/85/46/58/436854658.db2.gz OGOUBYKHXXTKNC-FKAFAWJWSA-N 1 3 342.480 0.489 20 0 ECADHO OCCO[C@@H]1CCCN(C/C=C\C[N@H+]2CCC[C@@H](OCCO)C2)C1 ZINC000255639705 436854662 /nfs/dbraw/zinc/85/46/62/436854662.db2.gz OGOUBYKHXXTKNC-FKAFAWJWSA-N 1 3 342.480 0.489 20 0 ECADHO CC(C)[C@@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[NH+](C)C ZINC000131911184 436856843 /nfs/dbraw/zinc/85/68/43/436856843.db2.gz CBMJSJOOVXNSEZ-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000132511279 436868354 /nfs/dbraw/zinc/86/83/54/436868354.db2.gz PYVCNETUCBUJII-UHFFFAOYSA-N 1 3 346.439 0.619 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262341136 436927038 /nfs/dbraw/zinc/92/70/38/436927038.db2.gz GCJMMQMJKNTJGR-MSOLQXFVSA-N 1 3 346.475 0.163 20 0 ECADHO CSCC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000167215533 436938810 /nfs/dbraw/zinc/93/88/10/436938810.db2.gz HMJGZAWKRIBNMS-OLZOCXBDSA-N 1 3 330.498 0.126 20 0 ECADHO CNC(=O)CN1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000294312505 436946662 /nfs/dbraw/zinc/94/66/62/436946662.db2.gz VZSISJAAUPNKOA-UHFFFAOYSA-N 1 3 331.464 0.850 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000419425340 303392074 /nfs/dbraw/zinc/39/20/74/303392074.db2.gz PJDFGPGTHUAOPS-SJORKVTESA-N 1 3 344.459 0.793 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C1CCCC1 ZINC000420091580 303392128 /nfs/dbraw/zinc/39/21/28/303392128.db2.gz UXQGLNLVTHWCQZ-HZPDHXFCSA-N 1 3 336.480 0.707 20 0 ECADHO COCCN(CCO)Cc1cccc(C[N@H+](CCO)CCOC)c1 ZINC000265628655 437164084 /nfs/dbraw/zinc/16/40/84/437164084.db2.gz DQZOISGOVOFSEC-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO COCCN(CCO)Cc1cccc(C[N@@H+](CCO)CCOC)c1 ZINC000265628655 437164085 /nfs/dbraw/zinc/16/40/85/437164085.db2.gz DQZOISGOVOFSEC-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000331603278 437127667 /nfs/dbraw/zinc/12/76/67/437127667.db2.gz HTXUEBVKKQJSLU-JKJDWNRSSA-N 1 3 336.480 0.336 20 0 ECADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)N1CCN(C)CC1 ZINC000316709679 437188810 /nfs/dbraw/zinc/18/88/10/437188810.db2.gz JZPBCUHVHBTYRK-HUUCEWRRSA-N 1 3 328.526 0.470 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000332344528 437214354 /nfs/dbraw/zinc/21/43/54/437214354.db2.gz STDMQYAFNBCQKL-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000331854654 437169564 /nfs/dbraw/zinc/16/95/64/437169564.db2.gz PDLNCBPDHRBXBR-RRFJBIMHSA-N 1 3 337.468 0.062 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333362600 437267631 /nfs/dbraw/zinc/26/76/31/437267631.db2.gz LHMWRFKCOQUORP-DLBZAZTESA-N 1 3 337.512 0.940 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000332546096 437230294 /nfs/dbraw/zinc/23/02/94/437230294.db2.gz GKOMONFMFLZRMK-LMPOIIKSSA-N 1 3 336.480 0.671 20 0 ECADHO CCS(=O)(=O)NCCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180956898 437306461 /nfs/dbraw/zinc/30/64/61/437306461.db2.gz JYBCFFWDSDTGGO-UHFFFAOYSA-N 1 3 334.530 0.274 20 0 ECADHO CCS(=O)(=O)NCCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180956898 437306467 /nfs/dbraw/zinc/30/64/67/437306467.db2.gz JYBCFFWDSDTGGO-UHFFFAOYSA-N 1 3 334.530 0.274 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333815586 437288651 /nfs/dbraw/zinc/28/86/51/437288651.db2.gz KAPKIYFPHVUTIN-HUUCEWRRSA-N 1 3 337.468 0.077 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339580440 437474020 /nfs/dbraw/zinc/47/40/20/437474020.db2.gz RPSHZTNZYXGENI-IYBDPMFKSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339580440 437474022 /nfs/dbraw/zinc/47/40/22/437474022.db2.gz RPSHZTNZYXGENI-IYBDPMFKSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000339583362 437475215 /nfs/dbraw/zinc/47/52/15/437475215.db2.gz UCIRZOLKJHXNHL-OAHLLOKOSA-N 1 3 326.485 0.539 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000339583362 437475218 /nfs/dbraw/zinc/47/52/18/437475218.db2.gz UCIRZOLKJHXNHL-OAHLLOKOSA-N 1 3 326.485 0.539 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000339669056 437488220 /nfs/dbraw/zinc/48/82/20/437488220.db2.gz NKBJLKXJDKWWPK-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339964054 437531977 /nfs/dbraw/zinc/53/19/77/437531977.db2.gz AIXBLNVXSHZGOZ-MLGOLLRUSA-N 1 3 334.464 0.328 20 0 ECADHO C[C@H]1CN(CCC(=O)N2CCOCC2)CC[N@@H+]1C1CCN(C)CC1 ZINC000355032894 437663552 /nfs/dbraw/zinc/66/35/52/437663552.db2.gz PTLTWGCHIRGUEZ-INIZCTEOSA-N 1 3 338.496 0.336 20 0 ECADHO C[C@H]1CN(CCC(=O)N2CCOCC2)CC[N@H+]1C1CCN(C)CC1 ZINC000355032894 437663558 /nfs/dbraw/zinc/66/35/58/437663558.db2.gz PTLTWGCHIRGUEZ-INIZCTEOSA-N 1 3 338.496 0.336 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340486638 437667272 /nfs/dbraw/zinc/66/72/72/437667272.db2.gz SZBLTSNJZQRNKU-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340486638 437667278 /nfs/dbraw/zinc/66/72/78/437667278.db2.gz SZBLTSNJZQRNKU-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000355270781 437692780 /nfs/dbraw/zinc/69/27/80/437692780.db2.gz JKRFQNOTLIWPLL-KGLIPLIRSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2)C[NH+](C)C ZINC000415271181 437772074 /nfs/dbraw/zinc/77/20/74/437772074.db2.gz PYYRJGZFEFUZKR-NSHDSACASA-N 1 3 336.411 0.724 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000340784259 437731434 /nfs/dbraw/zinc/73/14/34/437731434.db2.gz WLYAZMCQUHHHNZ-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccn1 ZINC000362434034 437738109 /nfs/dbraw/zinc/73/81/09/437738109.db2.gz RAYNVLVAZTXBAK-JKSUJKDBSA-N 1 3 348.447 0.615 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340817418 437742597 /nfs/dbraw/zinc/74/25/97/437742597.db2.gz IRAJHBCWDWRALT-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340817418 437742601 /nfs/dbraw/zinc/74/26/01/437742601.db2.gz IRAJHBCWDWRALT-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H](O)CN1CCCC1=O ZINC000344174673 437742733 /nfs/dbraw/zinc/74/27/33/437742733.db2.gz WRJVCAWLSCSUMS-QGZVFWFLSA-N 1 3 340.512 0.319 20 0 ECADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H](O)CN1CCCC1=O ZINC000344174673 437742735 /nfs/dbraw/zinc/74/27/35/437742735.db2.gz WRJVCAWLSCSUMS-QGZVFWFLSA-N 1 3 340.512 0.319 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000362791578 437754088 /nfs/dbraw/zinc/75/40/88/437754088.db2.gz YKJDGMCUQOQCDH-PBHICJAKSA-N 1 3 346.475 0.792 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000362791578 437754090 /nfs/dbraw/zinc/75/40/90/437754090.db2.gz YKJDGMCUQOQCDH-PBHICJAKSA-N 1 3 346.475 0.792 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000423734788 437819162 /nfs/dbraw/zinc/81/91/62/437819162.db2.gz WKOODHKRPPVEOJ-AIANPOQGSA-N 1 3 338.496 0.950 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000364774983 437824450 /nfs/dbraw/zinc/82/44/50/437824450.db2.gz HJFZNQYQUUCANJ-ARFHVFGLSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC000370412868 437781133 /nfs/dbraw/zinc/78/11/33/437781133.db2.gz BOFBWIHLPBEIAD-KRWDZBQOSA-N 1 3 337.512 0.891 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000415369778 437792216 /nfs/dbraw/zinc/79/22/16/437792216.db2.gz CFKXDAQNLWNQOW-AWEZNQCLSA-N 1 3 334.420 0.434 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423683737 437800961 /nfs/dbraw/zinc/80/09/61/437800961.db2.gz XDAMUBAQDKEJCY-UHFFFAOYSA-N 1 3 346.475 0.918 20 0 ECADHO C[C@H]1CCN(C)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341151646 437803887 /nfs/dbraw/zinc/80/38/87/437803887.db2.gz ARPCPRSDMYCXKU-LSDHHAIUSA-N 1 3 339.484 0.309 20 0 ECADHO C[C@H]1CCN(C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341151646 437803892 /nfs/dbraw/zinc/80/38/92/437803892.db2.gz ARPCPRSDMYCXKU-LSDHHAIUSA-N 1 3 339.484 0.309 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415516307 437814919 /nfs/dbraw/zinc/81/49/19/437814919.db2.gz FPTYTDISJPFBSF-KGLIPLIRSA-N 1 3 348.447 0.761 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000415898275 437877826 /nfs/dbraw/zinc/87/78/26/437877826.db2.gz SXGZRLVNQAUHPH-LSDHHAIUSA-N 1 3 330.432 0.755 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000356802214 437838194 /nfs/dbraw/zinc/83/81/94/437838194.db2.gz ZBFNZDGMKATAFV-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000356802214 437838199 /nfs/dbraw/zinc/83/81/99/437838199.db2.gz ZBFNZDGMKATAFV-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000415780519 437858679 /nfs/dbraw/zinc/85/86/79/437858679.db2.gz IOFNAZPYCKKLNE-CHWSQXEVSA-N 1 3 336.436 0.726 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000357209613 437933196 /nfs/dbraw/zinc/93/31/96/437933196.db2.gz RQMUBQVBUVRZGW-GJZGRUSLSA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000357209613 437933200 /nfs/dbraw/zinc/93/32/00/437933200.db2.gz RQMUBQVBUVRZGW-GJZGRUSLSA-N 1 3 326.485 0.726 20 0 ECADHO [NH3+]CCOc1ccc(NC(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000415945074 437881229 /nfs/dbraw/zinc/88/12/29/437881229.db2.gz KMRNHGXSYZQYOG-OAHLLOKOSA-N 1 3 336.436 0.992 20 0 ECADHO C[N@H+](CCCCNC(=O)Nc1cnc(N2CCNCC2)nc1)C1CC1 ZINC000415955990 437882777 /nfs/dbraw/zinc/88/27/77/437882777.db2.gz RDPVLVKXBSSXIL-UHFFFAOYSA-N 1 3 347.467 0.882 20 0 ECADHO C[N@@H+](CCCCNC(=O)Nc1cnc(N2CCNCC2)nc1)C1CC1 ZINC000415955990 437882782 /nfs/dbraw/zinc/88/27/82/437882782.db2.gz RDPVLVKXBSSXIL-UHFFFAOYSA-N 1 3 347.467 0.882 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC3(CC[NH2+]3)CC2)CC1=O ZINC000424050548 437883859 /nfs/dbraw/zinc/88/38/59/437883859.db2.gz DODIMTZFZLVRGC-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424151737 437893244 /nfs/dbraw/zinc/89/32/44/437893244.db2.gz HVSVMHHUNZEHSO-KGLIPLIRSA-N 1 3 336.440 0.043 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424154391 437894159 /nfs/dbraw/zinc/89/41/59/437894159.db2.gz LTPCMGTVQSYWCW-HIFRSBDPSA-N 1 3 332.452 0.949 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000357072544 437904170 /nfs/dbraw/zinc/90/41/70/437904170.db2.gz HJEWHDKAHZJTDS-YOEHRIQHSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(C)(C)C[NH+](C)C ZINC000424461456 437942791 /nfs/dbraw/zinc/94/27/91/437942791.db2.gz KUQFIJVKPNTFTK-AEGPPILISA-N 1 3 336.484 0.833 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000342059318 437953002 /nfs/dbraw/zinc/95/30/02/437953002.db2.gz IXSQTZKRRNGSKY-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO COC[C@H](C)OC[C@H](O)CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365709932 437956304 /nfs/dbraw/zinc/95/63/04/437956304.db2.gz GETGEHLBCJLRND-RYQLBKOJSA-N 1 3 343.512 0.499 20 0 ECADHO COC[C@H](C)OC[C@H](O)CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365709932 437956309 /nfs/dbraw/zinc/95/63/09/437956309.db2.gz GETGEHLBCJLRND-RYQLBKOJSA-N 1 3 343.512 0.499 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)N(C)C1CC1 ZINC000342065400 437956612 /nfs/dbraw/zinc/95/66/12/437956612.db2.gz RDLASSPXVLDCJP-ZDUSSCGKSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424550999 437971632 /nfs/dbraw/zinc/97/16/32/437971632.db2.gz UQSRLZQNJCNNNX-HYVNUMGLSA-N 1 3 344.459 0.573 20 0 ECADHO [NH3+]C[C@H]1CN(C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC000417012955 438014757 /nfs/dbraw/zinc/01/47/57/438014757.db2.gz BFLDBPUGXOSZTF-KRWDZBQOSA-N 1 3 332.448 0.804 20 0 ECADHO C[C@H](CCCC[NH3+])NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417428744 438047842 /nfs/dbraw/zinc/04/78/42/438047842.db2.gz LSOVQZQFOONTOJ-CABCVRRESA-N 1 3 341.500 0.746 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417428954 438049427 /nfs/dbraw/zinc/04/94/27/438049427.db2.gz MDUIDLZLHMCUIT-KGLIPLIRSA-N 1 3 327.473 0.084 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000347990362 437992890 /nfs/dbraw/zinc/99/28/90/437992890.db2.gz ZAMAWTIQECOXQH-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000416796885 437993809 /nfs/dbraw/zinc/99/38/09/437993809.db2.gz AFNNJMWSURUUFS-KRWDZBQOSA-N 1 3 333.480 0.884 20 0 ECADHO [NH3+][C@H](CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)C1CC1 ZINC000417982616 438096315 /nfs/dbraw/zinc/09/63/15/438096315.db2.gz BJDAAJHVFDKECQ-IAGOWNOFSA-N 1 3 332.448 0.790 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000348767298 438097552 /nfs/dbraw/zinc/09/75/52/438097552.db2.gz VZIACHFPENUEEY-OAHLLOKOSA-N 1 3 336.480 0.696 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000348767298 438097554 /nfs/dbraw/zinc/09/75/54/438097554.db2.gz VZIACHFPENUEEY-OAHLLOKOSA-N 1 3 336.480 0.696 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N[C@@H]1CCC[NH2+]C1 ZINC000417993447 438099034 /nfs/dbraw/zinc/09/90/34/438099034.db2.gz OENWMUJTOHELDI-IAGOWNOFSA-N 1 3 332.448 0.804 20 0 ECADHO COC(=O)CC[C@H]([NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000342698465 438051921 /nfs/dbraw/zinc/05/19/21/438051921.db2.gz UBEIIYYKOODWOL-MCIONIFRSA-N 1 3 329.441 0.273 20 0 ECADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])CN1CCN(C)CC1 ZINC000417754550 438075151 /nfs/dbraw/zinc/07/51/51/438075151.db2.gz PSRIAPKEPCPHBX-PMPSAXMXSA-N 1 3 325.501 0.781 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN[C@](C)(C[NH3+])C2CC2)C1 ZINC000430571418 438112805 /nfs/dbraw/zinc/11/28/05/438112805.db2.gz MFVFBHCSKJCXPM-DOTOQJQBSA-N 1 3 326.485 0.176 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+][C@](C)(CN)C2CC2)C1 ZINC000430571418 438112808 /nfs/dbraw/zinc/11/28/08/438112808.db2.gz MFVFBHCSKJCXPM-DOTOQJQBSA-N 1 3 326.485 0.176 20 0 ECADHO C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCCNCC1 ZINC000418194151 438118268 /nfs/dbraw/zinc/11/82/68/438118268.db2.gz OLZDQEBXVGJEHK-UHFFFAOYSA-N 1 3 335.452 0.917 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccncc2OCCN(C)C)C1 ZINC000418193892 438118426 /nfs/dbraw/zinc/11/84/26/438118426.db2.gz OCKYUHKJOWHJDQ-OAHLLOKOSA-N 1 3 335.452 0.915 20 0 ECADHO O=C(C[C@H]1C[NH2+]CCO1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430678753 438119807 /nfs/dbraw/zinc/11/98/07/438119807.db2.gz KESKCBSKPVWKBH-KRWDZBQOSA-N 1 3 333.432 0.960 20 0 ECADHO CN(C)CCN(Cc1ccccc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418294368 438125120 /nfs/dbraw/zinc/12/51/20/438125120.db2.gz GZJRKANDNFDQPD-UHFFFAOYSA-N 1 3 333.480 0.665 20 0 ECADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430923173 438129953 /nfs/dbraw/zinc/12/99/53/438129953.db2.gz CNPIQSATFKYIMA-HUUCEWRRSA-N 1 3 346.479 0.573 20 0 ECADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418333174 438132436 /nfs/dbraw/zinc/13/24/36/438132436.db2.gz GJGLXWNJNHOPOZ-LPHOPBHVSA-N 1 3 346.475 0.922 20 0 ECADHO O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCC[NH2+]C1 ZINC000418373824 438138019 /nfs/dbraw/zinc/13/80/19/438138019.db2.gz CAEGKVOUWSZVJP-WMZOPIPTSA-N 1 3 332.448 0.675 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418386001 438138617 /nfs/dbraw/zinc/13/86/17/438138617.db2.gz MINNHPXPYLGUPJ-ZBFHGGJFSA-N 1 3 325.501 0.780 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000418427103 438143251 /nfs/dbraw/zinc/14/32/51/438143251.db2.gz AIGSJUWMYWYXRU-UHFFFAOYSA-N 1 3 341.500 0.700 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418475789 438149391 /nfs/dbraw/zinc/14/93/91/438149391.db2.gz RKSQEVDKNVHNRE-HOCLYGCPSA-N 1 3 349.479 0.170 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C(=O)NCCN(C)C ZINC000418770114 438184549 /nfs/dbraw/zinc/18/45/49/438184549.db2.gz QMWQZNQRXZOJJG-KFWWJZLASA-N 1 3 341.500 0.506 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075173 438186981 /nfs/dbraw/zinc/18/69/81/438186981.db2.gz QPTGAOXJFFGWOL-UHFFFAOYSA-N 1 3 347.525 0.750 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000349930335 438188379 /nfs/dbraw/zinc/18/83/79/438188379.db2.gz FCNUZYKWBYXJSZ-JKSUJKDBSA-N 1 3 342.484 0.099 20 0 ECADHO C[NH+](C)CC1(CNC(=O)C(=O)N[C@H](CN)C2CCCC2)CCCC1 ZINC000418805950 438193458 /nfs/dbraw/zinc/19/34/58/438193458.db2.gz NWGZGMVIEXKUOC-OAHLLOKOSA-N 1 3 338.496 0.858 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000358109028 438153735 /nfs/dbraw/zinc/15/37/35/438153735.db2.gz PFUSFIPTCZHHHB-UHFFFAOYSA-N 1 3 332.448 0.818 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418532106 438157790 /nfs/dbraw/zinc/15/77/90/438157790.db2.gz BVQDTVPJABTLRI-DOTOQJQBSA-N 1 3 326.485 0.768 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000418537123 438159720 /nfs/dbraw/zinc/15/97/20/438159720.db2.gz CMBLWELCYQMENT-ULQDDVLXSA-N 1 3 348.447 0.428 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418542119 438159754 /nfs/dbraw/zinc/15/97/54/438159754.db2.gz HIKVSJXPWKNXAI-HYVNUMGLSA-N 1 3 334.464 0.906 20 0 ECADHO COC[C@@]1(CNC(=O)N(CCN(C)C)Cc2ccccn2)CCC[NH2+]1 ZINC000418646915 438171598 /nfs/dbraw/zinc/17/15/98/438171598.db2.gz XNCVBUZCHSWQCF-SFHVURJKSA-N 1 3 349.479 0.923 20 0 ECADHO CN1CCC(O)(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418685069 438174009 /nfs/dbraw/zinc/17/40/09/438174009.db2.gz MBZOXVJFJDAAPW-JKSUJKDBSA-N 1 3 332.448 0.498 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000418860936 438222384 /nfs/dbraw/zinc/22/23/84/438222384.db2.gz FYGAWIZYVZONGC-CABCVRRESA-N 1 3 338.496 0.810 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418863259 438225099 /nfs/dbraw/zinc/22/50/99/438225099.db2.gz BMIRCWCOZZJAMO-AWEZNQCLSA-N 1 3 342.484 0.237 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000358515376 438243025 /nfs/dbraw/zinc/24/30/25/438243025.db2.gz NWKLXHXMQSFTPM-GOSISDBHSA-N 1 3 346.475 0.775 20 0 ECADHO O=C1CC[C@@H](NCCC[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)[C@@H](C2CC2)N1 ZINC000367458503 438210613 /nfs/dbraw/zinc/21/06/13/438210613.db2.gz LUQYGNVOLHIIQS-WTLGNFPFSA-N 1 3 348.491 0.670 20 0 ECADHO O=C1CC[C@@H]([NH2+]CCCN[C@H]2CCC(=O)N[C@@H]2C2CC2)[C@@H](C2CC2)N1 ZINC000367458503 438210617 /nfs/dbraw/zinc/21/06/17/438210617.db2.gz LUQYGNVOLHIIQS-WTLGNFPFSA-N 1 3 348.491 0.670 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000418958194 438263407 /nfs/dbraw/zinc/26/34/07/438263407.db2.gz FRZKSWKSISOLLB-WBVHZDCISA-N 1 3 346.475 0.691 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000418961923 438265598 /nfs/dbraw/zinc/26/55/98/438265598.db2.gz KGAHJDSDKDWPQX-ZOBUZTSGSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419022848 438291451 /nfs/dbraw/zinc/29/14/51/438291451.db2.gz IUPJOQIVGAJMQH-QKPAOTATSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419024853 438293122 /nfs/dbraw/zinc/29/31/22/438293122.db2.gz LDDZOJWMQSFPQZ-CQSZACIVSA-N 1 3 336.480 0.649 20 0 ECADHO CCOC(=O)COCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000351580904 438293653 /nfs/dbraw/zinc/29/36/53/438293653.db2.gz MIPFXUJXFRZPQS-UHFFFAOYSA-N 1 3 341.496 0.916 20 0 ECADHO CCOC(=O)COCCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000351579795 438294187 /nfs/dbraw/zinc/29/41/87/438294187.db2.gz KBCUBCYKHCZICQ-OAHLLOKOSA-N 1 3 327.469 0.666 20 0 ECADHO CCOC(=O)COCCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000351579795 438294191 /nfs/dbraw/zinc/29/41/91/438294191.db2.gz KBCUBCYKHCZICQ-OAHLLOKOSA-N 1 3 327.469 0.666 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)CCCO1 ZINC000433467614 438253918 /nfs/dbraw/zinc/25/39/18/438253918.db2.gz RCSQGQGCZNLQGQ-GDBMZVCRSA-N 1 3 330.473 0.099 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419031373 438297864 /nfs/dbraw/zinc/29/78/64/438297864.db2.gz VIHLKDMRLDQRLB-LEOABGAYSA-N 1 3 338.496 0.665 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419032744 438297877 /nfs/dbraw/zinc/29/78/77/438297877.db2.gz XBOHGACKDNHFLA-QRJUGERDSA-N 1 3 338.496 0.583 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)CC1 ZINC000419047912 438304066 /nfs/dbraw/zinc/30/40/66/438304066.db2.gz ULMJTZHVUZOQHL-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419050270 438304687 /nfs/dbraw/zinc/30/46/87/438304687.db2.gz YNYFPHHHQSWKMH-GJZGRUSLSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1=CCN(C)CC1 ZINC000358825117 438309558 /nfs/dbraw/zinc/30/95/58/438309558.db2.gz LEBFGRIUKCNTIH-ZIAGYGMSSA-N 1 3 338.496 0.846 20 0 ECADHO CN1CCN(C(=O)C[NH+]2CCC(C)(CN3CCOCC3)CC2)CC1 ZINC000378438222 438387880 /nfs/dbraw/zinc/38/78/80/438387880.db2.gz VIWPFBDUUMDBDF-UHFFFAOYSA-N 1 3 338.496 0.195 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000359252227 438393732 /nfs/dbraw/zinc/39/37/32/438393732.db2.gz OLOMYILYXBAYOU-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000359252227 438393735 /nfs/dbraw/zinc/39/37/35/438393735.db2.gz OLOMYILYXBAYOU-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419156778 438347903 /nfs/dbraw/zinc/34/79/03/438347903.db2.gz KDJGVNIZNCBNQQ-ARFHVFGLSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000419157505 438347967 /nfs/dbraw/zinc/34/79/67/438347967.db2.gz LFRCJAHFHMDGFT-PMPSAXMXSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419229130 438351760 /nfs/dbraw/zinc/35/17/60/438351760.db2.gz NTPYYXZIAPVNSP-HYVNUMGLSA-N 1 3 344.459 0.491 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000351926756 438356926 /nfs/dbraw/zinc/35/69/26/438356926.db2.gz LGWYYMFKPKMFNB-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419425380 438357374 /nfs/dbraw/zinc/35/73/74/438357374.db2.gz PPBDPZBYAIYNQS-HZSPNIEDSA-N 1 3 340.468 0.206 20 0 ECADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419423827 438358164 /nfs/dbraw/zinc/35/81/64/438358164.db2.gz NOKSCOPUTHXVON-IRXDYDNUSA-N 1 3 344.459 0.808 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419696544 438367035 /nfs/dbraw/zinc/36/70/35/438367035.db2.gz OTSJTNWYYVALBM-GXTWGEPZSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419696544 438367038 /nfs/dbraw/zinc/36/70/38/438367038.db2.gz OTSJTNWYYVALBM-GXTWGEPZSA-N 1 3 340.468 0.206 20 0 ECADHO O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419677117 438367150 /nfs/dbraw/zinc/36/71/50/438367150.db2.gz NJHUDVGLLIZMHO-HNNXBMFYSA-N 1 3 336.480 0.627 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(C4CCCC4)C3)C[C@@H]21 ZINC000419692623 438367687 /nfs/dbraw/zinc/36/76/87/438367687.db2.gz HABQINKTNKPZSX-TXCZRRACSA-N 1 3 348.491 0.705 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000352015785 438370633 /nfs/dbraw/zinc/37/06/33/438370633.db2.gz SBNCZYZXQZPGDR-RDJZCZTQSA-N 1 3 334.464 0.375 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419783973 438372682 /nfs/dbraw/zinc/37/26/82/438372682.db2.gz WCUGSACCUDOVBT-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO N[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000419925481 438376625 /nfs/dbraw/zinc/37/66/25/438376625.db2.gz ITSVQQQLLYMVCW-RDJZCZTQSA-N 1 3 344.459 0.747 20 0 ECADHO CN1CC[C@@H](N2CCC3(CC[N@@H+]([C@H]4CCN(C)C4=O)C3)CC2)C1=O ZINC000368764563 438377536 /nfs/dbraw/zinc/37/75/36/438377536.db2.gz HSZQTFMLXDTVDI-CABCVRRESA-N 1 3 334.464 0.236 20 0 ECADHO CN1CC[C@@H](N2CCC3(CC[N@H+]([C@H]4CCN(C)C4=O)C3)CC2)C1=O ZINC000368764563 438377539 /nfs/dbraw/zinc/37/75/39/438377539.db2.gz HSZQTFMLXDTVDI-CABCVRRESA-N 1 3 334.464 0.236 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000352091923 438378786 /nfs/dbraw/zinc/37/87/86/438378786.db2.gz MUKBOQQGTJWADV-MRXNPFEDSA-N 1 3 326.485 0.858 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)CC1=O ZINC000368814588 438382902 /nfs/dbraw/zinc/38/29/02/438382902.db2.gz UISXAUJTRXAVMS-SMLCLMEVSA-N 1 3 348.491 0.800 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000359459040 438440140 /nfs/dbraw/zinc/44/01/40/438440140.db2.gz DUHRKSBTKFMBGT-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000359459040 438440144 /nfs/dbraw/zinc/44/01/44/438440144.db2.gz DUHRKSBTKFMBGT-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000359267415 438398379 /nfs/dbraw/zinc/39/83/79/438398379.db2.gz VSTOVLMJRYBWQO-CQSZACIVSA-N 1 3 326.485 0.822 20 0 ECADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC[C@@H]1COc2ccccc2O1 ZINC000420335612 438400002 /nfs/dbraw/zinc/40/00/02/438400002.db2.gz LTESYICMRSMQNS-OWCLPIDISA-N 1 3 345.443 0.874 20 0 ECADHO CCN(CCNC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)C1CC1 ZINC000359274435 438401031 /nfs/dbraw/zinc/40/10/31/438401031.db2.gz OFZAETJDXOPHFO-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO CCN(CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)C1CC1 ZINC000359274435 438401035 /nfs/dbraw/zinc/40/10/35/438401035.db2.gz OFZAETJDXOPHFO-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000359272964 438401582 /nfs/dbraw/zinc/40/15/82/438401582.db2.gz MUWCAFSGEZUVDC-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000359272964 438401583 /nfs/dbraw/zinc/40/15/83/438401583.db2.gz MUWCAFSGEZUVDC-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CCN(CCNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1CC1 ZINC000359274703 438402278 /nfs/dbraw/zinc/40/22/78/438402278.db2.gz FKNJRJXJJBXYEI-CYBMUJFWSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)C1CC1 ZINC000359323011 438412940 /nfs/dbraw/zinc/41/29/40/438412940.db2.gz OLLADPJPOFTAGA-HOCLYGCPSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)C1CC1 ZINC000359323011 438412942 /nfs/dbraw/zinc/41/29/42/438412942.db2.gz OLLADPJPOFTAGA-HOCLYGCPSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000421210122 438470292 /nfs/dbraw/zinc/47/02/92/438470292.db2.gz ZHEHZPXQMYDJNG-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(C)C ZINC000369586677 438492176 /nfs/dbraw/zinc/49/21/76/438492176.db2.gz GRSXDUNRHWKHMA-HOTGVXAUSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1(C)C ZINC000369586677 438492181 /nfs/dbraw/zinc/49/21/81/438492181.db2.gz GRSXDUNRHWKHMA-HOTGVXAUSA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)CC[NH+]1CCC(NC(=O)NCCN2CCSCC2)CC1 ZINC000352664120 438458276 /nfs/dbraw/zinc/45/82/76/438458276.db2.gz KPXPHYUTJGLUEJ-UHFFFAOYSA-N 1 3 343.541 0.360 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422277075 438540827 /nfs/dbraw/zinc/54/08/27/438540827.db2.gz HMLPIUCMZUYABB-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422277075 438540830 /nfs/dbraw/zinc/54/08/30/438540830.db2.gz HMLPIUCMZUYABB-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2=CCN(C)CC2)CC1=O ZINC000369744191 438510166 /nfs/dbraw/zinc/51/01/66/438510166.db2.gz DRFUYLPNYJAESX-DLBZAZTESA-N 1 3 348.491 0.697 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2=CCN(C)CC2)CC1=O ZINC000369744191 438510171 /nfs/dbraw/zinc/51/01/71/438510171.db2.gz DRFUYLPNYJAESX-DLBZAZTESA-N 1 3 348.491 0.697 20 0 ECADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422117365 438522860 /nfs/dbraw/zinc/52/28/60/438522860.db2.gz LRHHXKYXIZWEOY-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422117365 438522862 /nfs/dbraw/zinc/52/28/62/438522862.db2.gz LRHHXKYXIZWEOY-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO COCCN1CC[C@@H](NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)C1 ZINC000370022241 438540560 /nfs/dbraw/zinc/54/05/60/438540560.db2.gz SKAGCWIFAGQDEU-OAHLLOKOSA-N 1 3 342.484 0.195 20 0 ECADHO COCCN1CC[C@@H](NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)C1 ZINC000370022241 438540563 /nfs/dbraw/zinc/54/05/63/438540563.db2.gz SKAGCWIFAGQDEU-OAHLLOKOSA-N 1 3 342.484 0.195 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422277965 438542318 /nfs/dbraw/zinc/54/23/18/438542318.db2.gz MKOTZTNBVKJTBM-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422323802 438552463 /nfs/dbraw/zinc/55/24/63/438552463.db2.gz GVTHUIOVAKJVAY-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422323802 438552465 /nfs/dbraw/zinc/55/24/65/438552465.db2.gz GVTHUIOVAKJVAY-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCCN1C)C(C)(C)C[NH+](C)C ZINC000422351493 438556658 /nfs/dbraw/zinc/55/66/58/438556658.db2.gz CIUWIXAOOVTADD-UONOGXRCSA-N 1 3 326.485 0.632 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000410777821 438656453 /nfs/dbraw/zinc/65/64/53/438656453.db2.gz CZIJIRUCJPLJDD-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000410777821 438656454 /nfs/dbraw/zinc/65/64/54/438656454.db2.gz CZIJIRUCJPLJDD-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO CCS(=O)(=O)N1CC(CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000423056801 438634441 /nfs/dbraw/zinc/63/44/41/438634441.db2.gz GJXIKUONQWHJKH-XJKSGUPXSA-N 1 3 325.478 0.816 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000423199716 438648835 /nfs/dbraw/zinc/64/88/35/438648835.db2.gz CFXLPNIIPIBAFY-UHFFFAOYSA-N 1 3 338.427 0.394 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000423257213 438653284 /nfs/dbraw/zinc/65/32/84/438653284.db2.gz IFKQRSFGQBKFJH-NVXWUHKLSA-N 1 3 346.475 0.691 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000423260108 438654222 /nfs/dbraw/zinc/65/42/22/438654222.db2.gz PMXWEKFBMCRNKJ-INIZCTEOSA-N 1 3 332.448 0.445 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000423366961 438666485 /nfs/dbraw/zinc/66/64/85/438666485.db2.gz LZNLQLTYILVRRS-UKRRQHHQSA-N 1 3 336.436 0.366 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](N(C)C)C2)[C@@H](C)C1 ZINC000410789054 438658451 /nfs/dbraw/zinc/65/84/51/438658451.db2.gz HBRZIWLRPZUTDU-JYJNAYRXSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](N(C)C)C2)[C@@H](C)C1 ZINC000410789054 438658454 /nfs/dbraw/zinc/65/84/54/438658454.db2.gz HBRZIWLRPZUTDU-JYJNAYRXSA-N 1 3 338.496 0.728 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000574785329 438720788 /nfs/dbraw/zinc/72/07/88/438720788.db2.gz KICHBMRCBJGVJI-OWCLPIDISA-N 1 3 325.501 0.557 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415128776 438729674 /nfs/dbraw/zinc/72/96/74/438729674.db2.gz UKIBJBAVQMFXEH-UHFFFAOYSA-N 1 3 330.432 0.825 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000575174715 438740943 /nfs/dbraw/zinc/74/09/43/438740943.db2.gz PSWQLSFIKDYTFY-BHYGNILZSA-N 1 3 348.495 0.834 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000575174715 438740946 /nfs/dbraw/zinc/74/09/46/438740946.db2.gz PSWQLSFIKDYTFY-BHYGNILZSA-N 1 3 348.495 0.834 20 0 ECADHO CCOC(=O)N1CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000497150967 438771928 /nfs/dbraw/zinc/77/19/28/438771928.db2.gz LBZYOSQMBDKDQO-UHFFFAOYSA-N 1 3 336.440 0.982 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000576388795 438781076 /nfs/dbraw/zinc/78/10/76/438781076.db2.gz KBRSBBXCQZMXRB-KLHDSHLOSA-N 1 3 334.464 0.140 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)C1 ZINC000576445428 438783244 /nfs/dbraw/zinc/78/32/44/438783244.db2.gz NTOMAUSDFSSPQL-QAPCUYQASA-N 1 3 334.464 0.237 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)C1 ZINC000576445428 438783246 /nfs/dbraw/zinc/78/32/46/438783246.db2.gz NTOMAUSDFSSPQL-QAPCUYQASA-N 1 3 334.464 0.237 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000556797057 438788695 /nfs/dbraw/zinc/78/86/95/438788695.db2.gz PJBVOKIUCQYZJU-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000556797057 438788697 /nfs/dbraw/zinc/78/86/97/438788697.db2.gz PJBVOKIUCQYZJU-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(CCOC1CNC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000577055266 438810036 /nfs/dbraw/zinc/81/00/36/438810036.db2.gz XMIKFIOMXBJYNK-UHFFFAOYSA-N 1 3 348.447 0.288 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000457680155 438818942 /nfs/dbraw/zinc/81/89/42/438818942.db2.gz BMXPZESTUSFSPL-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000457680155 438818947 /nfs/dbraw/zinc/81/89/47/438818947.db2.gz BMXPZESTUSFSPL-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000457680218 438819872 /nfs/dbraw/zinc/81/98/72/438819872.db2.gz BQEZONHGHTYBTK-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000457680218 438819876 /nfs/dbraw/zinc/81/98/76/438819876.db2.gz BQEZONHGHTYBTK-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595959414 438901225 /nfs/dbraw/zinc/90/12/25/438901225.db2.gz DNXOXAQGTHIOOQ-CVEARBPZSA-N 1 3 337.489 0.950 20 0 ECADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595959414 438901228 /nfs/dbraw/zinc/90/12/28/438901228.db2.gz DNXOXAQGTHIOOQ-CVEARBPZSA-N 1 3 337.489 0.950 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000564994301 438901922 /nfs/dbraw/zinc/90/19/22/438901922.db2.gz OUPUMQRVXRPFOB-HNNXBMFYSA-N 1 3 325.453 0.910 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000578224709 438907527 /nfs/dbraw/zinc/90/75/27/438907527.db2.gz TYYPSMYLQSOLBF-CQSZACIVSA-N 1 3 332.448 0.927 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000577740176 438867200 /nfs/dbraw/zinc/86/72/00/438867200.db2.gz MNLBWSNQYKULGV-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000515408555 438867829 /nfs/dbraw/zinc/86/78/29/438867829.db2.gz BQRNEJCLDOTTFF-GJZGRUSLSA-N 1 3 326.485 0.491 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000515491517 438872283 /nfs/dbraw/zinc/87/22/83/438872283.db2.gz GYBQSRHQBGIVLA-LTIDMASMSA-N 1 3 348.491 0.815 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000515491517 438872285 /nfs/dbraw/zinc/87/22/85/438872285.db2.gz GYBQSRHQBGIVLA-LTIDMASMSA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)N[C@@H](C)c1ccccc1 ZINC000515525279 438875055 /nfs/dbraw/zinc/87/50/55/438875055.db2.gz LBNJOTGKFMBZOX-HOCLYGCPSA-N 1 3 346.475 0.956 20 0 ECADHO C[C@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)[C@H](c1ccccc1)N(C)C ZINC000564873138 438881628 /nfs/dbraw/zinc/88/16/28/438881628.db2.gz KOICRDNZCYEWDC-YTQUADARSA-N 1 3 334.508 0.876 20 0 ECADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)Cn3cccn3)cc2)CC1 ZINC000578063862 438893135 /nfs/dbraw/zinc/89/31/35/438893135.db2.gz CACDKSYVPOVCET-LJQANCHMSA-N 1 3 343.475 0.781 20 0 ECADHO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CC[NH2+]CC1 ZINC000565420836 438951209 /nfs/dbraw/zinc/95/12/09/438951209.db2.gz RDMBYJBBKHZDDB-INIZCTEOSA-N 1 3 329.448 0.449 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC[N@@H+]1C ZINC000578925242 438965441 /nfs/dbraw/zinc/96/54/41/438965441.db2.gz ZZKGBHIONANVDN-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC[N@H+]1C ZINC000578925242 438965444 /nfs/dbraw/zinc/96/54/44/438965444.db2.gz ZZKGBHIONANVDN-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1=O ZINC000579112269 438981763 /nfs/dbraw/zinc/98/17/63/438981763.db2.gz AXIZQIONBAKQCK-NVXWUHKLSA-N 1 3 344.459 0.481 20 0 ECADHO CC(C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000518118193 438985911 /nfs/dbraw/zinc/98/59/11/438985911.db2.gz NVNZOMJYLGGUCT-INIZCTEOSA-N 1 3 340.512 0.833 20 0 ECADHO CN1CCN(c2cc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)ccn2)CC1 ZINC000566089695 439005156 /nfs/dbraw/zinc/00/51/56/439005156.db2.gz LDBOJKMESPHTFF-HKUYNNGSSA-N 1 3 345.491 0.690 20 0 ECADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC1CNC1 ZINC000579454317 439009248 /nfs/dbraw/zinc/00/92/48/439009248.db2.gz RTUKZMKLCGQQNG-HNNXBMFYSA-N 1 3 330.432 0.055 20 0 ECADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC1CNC1 ZINC000579454317 439009253 /nfs/dbraw/zinc/00/92/53/439009253.db2.gz RTUKZMKLCGQQNG-HNNXBMFYSA-N 1 3 330.432 0.055 20 0 ECADHO COC[C@H](C)OC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000580064197 439059551 /nfs/dbraw/zinc/05/95/51/439059551.db2.gz OZFRQOFHYSOTEB-SVGFKBNWSA-N 1 3 330.469 0.366 20 0 ECADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NCCN(C)C ZINC000579611468 439024902 /nfs/dbraw/zinc/02/49/02/439024902.db2.gz MBRFDNFDKIBGED-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NCCN(C)C ZINC000579611468 439024905 /nfs/dbraw/zinc/02/49/05/439024905.db2.gz MBRFDNFDKIBGED-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CCNC(=O)[C@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000579729258 439034360 /nfs/dbraw/zinc/03/43/60/439034360.db2.gz KAMNIWJLUAKHDN-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCC[C@@H]2CN(C(=O)C3([S@@](C)=O)CC[NH2+]CC3)CC[C@H]21 ZINC000602515403 439103078 /nfs/dbraw/zinc/10/30/78/439103078.db2.gz XJQMLVNJWIVVHB-XDEPDNQISA-N 1 3 327.494 0.430 20 0 ECADHO CSCC[C@@H]([NH3+])C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000580643932 439112736 /nfs/dbraw/zinc/11/27/36/439112736.db2.gz KGOMQZFJILORQC-LSDHHAIUSA-N 1 3 328.526 0.694 20 0 ECADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000460061984 439070561 /nfs/dbraw/zinc/07/05/61/439070561.db2.gz NDQXYTIOMBOOSS-CQSZACIVSA-N 1 3 338.496 0.728 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000567863252 439187381 /nfs/dbraw/zinc/18/73/81/439187381.db2.gz GYANRSZYKJBIAP-BXUZGUMPSA-N 1 3 343.497 0.419 20 0 ECADHO COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1C ZINC000597942788 439202049 /nfs/dbraw/zinc/20/20/49/439202049.db2.gz OWEBNVJDEWQUEV-ZDUSSCGKSA-N 1 3 338.452 0.814 20 0 ECADHO COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1C ZINC000597942788 439202051 /nfs/dbraw/zinc/20/20/51/439202051.db2.gz OWEBNVJDEWQUEV-ZDUSSCGKSA-N 1 3 338.452 0.814 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000581384010 439207375 /nfs/dbraw/zinc/20/73/75/439207375.db2.gz FZKGWRRHGRTECG-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000525306517 439208584 /nfs/dbraw/zinc/20/85/84/439208584.db2.gz ISNNHJIJKAQEPC-IRXDYDNUSA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000525306517 439208587 /nfs/dbraw/zinc/20/85/87/439208587.db2.gz ISNNHJIJKAQEPC-IRXDYDNUSA-N 1 3 339.528 0.899 20 0 ECADHO NC(=O)[C@H]1CCCN(CCC[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000581424310 439210182 /nfs/dbraw/zinc/21/01/82/439210182.db2.gz JCEKXYXUNSUWPY-AWEZNQCLSA-N 1 3 333.436 0.587 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNCCC(=O)Nc2cccnc2)C1 ZINC000581424310 439210186 /nfs/dbraw/zinc/21/01/86/439210186.db2.gz JCEKXYXUNSUWPY-AWEZNQCLSA-N 1 3 333.436 0.587 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNCCC(=O)Nc2cccnc2)C1 ZINC000581424310 439210189 /nfs/dbraw/zinc/21/01/89/439210189.db2.gz JCEKXYXUNSUWPY-AWEZNQCLSA-N 1 3 333.436 0.587 20 0 ECADHO CN(C[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000568749709 439274505 /nfs/dbraw/zinc/27/45/05/439274505.db2.gz LRWQFQCUVYOMPL-DFQSSKMNSA-N 1 3 347.503 0.914 20 0 ECADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)NC(=O)NCC(F)(F)F ZINC000592471313 439234465 /nfs/dbraw/zinc/23/44/65/439234465.db2.gz UJSGHHGNEFEBKE-UHFFFAOYSA-N 1 3 336.358 0.981 20 0 ECADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)NC(=O)NCC(F)(F)F ZINC000592471313 439234467 /nfs/dbraw/zinc/23/44/67/439234467.db2.gz UJSGHHGNEFEBKE-UHFFFAOYSA-N 1 3 336.358 0.981 20 0 ECADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)NC(=O)NCC(F)(F)F ZINC000592471313 439234471 /nfs/dbraw/zinc/23/44/71/439234471.db2.gz UJSGHHGNEFEBKE-UHFFFAOYSA-N 1 3 336.358 0.981 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1 ZINC000568741773 439272280 /nfs/dbraw/zinc/27/22/80/439272280.db2.gz DTXSLQMSHWZSBG-INIZCTEOSA-N 1 3 336.480 0.707 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000582290956 439313415 /nfs/dbraw/zinc/31/34/15/439313415.db2.gz ZWPIRXSBHGPLSS-HOTGVXAUSA-N 1 3 349.483 0.958 20 0 ECADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000582290956 439313419 /nfs/dbraw/zinc/31/34/19/439313419.db2.gz ZWPIRXSBHGPLSS-HOTGVXAUSA-N 1 3 349.483 0.958 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000582363381 439325198 /nfs/dbraw/zinc/32/51/98/439325198.db2.gz UCAUQHFARIIHMZ-FHWLQOOXSA-N 1 3 333.476 0.571 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000582363381 439325205 /nfs/dbraw/zinc/32/52/05/439325205.db2.gz UCAUQHFARIIHMZ-FHWLQOOXSA-N 1 3 333.476 0.571 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000582363381 439325208 /nfs/dbraw/zinc/32/52/08/439325208.db2.gz UCAUQHFARIIHMZ-FHWLQOOXSA-N 1 3 333.476 0.571 20 0 ECADHO [NH3+]C1CCC(OCC(=O)Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000569102626 439305508 /nfs/dbraw/zinc/30/55/08/439305508.db2.gz KZIKOJUVBZSXKP-UHFFFAOYSA-N 1 3 333.436 0.716 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000582741180 439376534 /nfs/dbraw/zinc/37/65/34/439376534.db2.gz SNZSEGVXACQERN-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000583630488 439490632 /nfs/dbraw/zinc/49/06/32/439490632.db2.gz FLYQJOHCSBTXAL-ZWNOBZJWSA-N 1 3 329.470 0.029 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)COC2CC[NH2+]CC2)CC1 ZINC000571440223 439503799 /nfs/dbraw/zinc/50/37/99/439503799.db2.gz ZQXXQYKWSQJGRH-UHFFFAOYSA-N 1 3 327.469 0.761 20 0 ECADHO C[NH+]1CCC(CNc2nccn3nnnc23)(N2CCCCC2)CC1 ZINC000531140990 439508236 /nfs/dbraw/zinc/50/82/36/439508236.db2.gz NTNUAMABTBUVQV-UHFFFAOYSA-N 1 3 330.440 0.882 20 0 ECADHO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736076 439457086 /nfs/dbraw/zinc/45/70/86/439457086.db2.gz FKZBCTWKQNXXMB-QVHKTLOISA-N 1 3 338.452 0.581 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)C2)C1 ZINC000583928889 439529357 /nfs/dbraw/zinc/52/93/57/439529357.db2.gz YADZIZTZOXTDQP-QAPCUYQASA-N 1 3 336.480 0.518 20 0 ECADHO C[C@H](NCC(=O)N1CCNCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000583988422 439535771 /nfs/dbraw/zinc/53/57/71/439535771.db2.gz GHJCFDCKASKEJI-HNNXBMFYSA-N 1 3 334.464 0.709 20 0 ECADHO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000571857629 439537817 /nfs/dbraw/zinc/53/78/17/439537817.db2.gz SWXPVMHKDSTQIT-KFWWJZLASA-N 1 3 339.484 0.131 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC[N@@H+]1C ZINC000608704440 439538698 /nfs/dbraw/zinc/53/86/98/439538698.db2.gz UHLOADFEUYYUNP-BRWVUGGUSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC[N@H+]1C ZINC000608704440 439538702 /nfs/dbraw/zinc/53/87/02/439538702.db2.gz UHLOADFEUYYUNP-BRWVUGGUSA-N 1 3 337.512 0.891 20 0 ECADHO CN1CCN(C(=O)NCCCN2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000584161827 439555010 /nfs/dbraw/zinc/55/50/10/439555010.db2.gz ZTGNKCGMRZEGSY-SFHVURJKSA-N 1 3 345.491 0.719 20 0 ECADHO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000584226111 439563171 /nfs/dbraw/zinc/56/31/71/439563171.db2.gz OWXRDTYOJGMURI-BZUAXINKSA-N 1 3 334.464 0.284 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH2+]C(C)C)CC1=O ZINC000584294183 439573772 /nfs/dbraw/zinc/57/37/72/439573772.db2.gz HREZRRURESAINR-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO Cc1cc(NC(=O)CCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)no1 ZINC000572384384 439578778 /nfs/dbraw/zinc/57/87/78/439578778.db2.gz UVJKITIFZKEGEJ-WMLDXEAASA-N 1 3 336.436 1.530 20 0 ECADHO C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000573696256 439662288 /nfs/dbraw/zinc/66/22/88/439662288.db2.gz KJOGOJDUVCFYRD-RDJZCZTQSA-N 1 3 346.475 0.691 20 0 ECADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000573696256 439662292 /nfs/dbraw/zinc/66/22/92/439662292.db2.gz KJOGOJDUVCFYRD-RDJZCZTQSA-N 1 3 346.475 0.691 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC[NH+](C)C ZINC000587110925 439665997 /nfs/dbraw/zinc/66/59/97/439665997.db2.gz IFLWSPQPZQGSDE-AWEZNQCLSA-N 1 3 327.473 0.180 20 0 ECADHO C[C@@H]1C[C@@H](NC[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC[N@@H+]1C ZINC000574512727 439710317 /nfs/dbraw/zinc/71/03/17/439710317.db2.gz UWEOVNVZRIPHJA-KBMXLJTQSA-N 1 3 346.431 0.937 20 0 ECADHO C[C@@H]1C[C@@H](NC[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC[N@H+]1C ZINC000574512727 439710322 /nfs/dbraw/zinc/71/03/22/439710322.db2.gz UWEOVNVZRIPHJA-KBMXLJTQSA-N 1 3 346.431 0.937 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000611640439 439715856 /nfs/dbraw/zinc/71/58/56/439715856.db2.gz ITHJUZNNGQJBCS-VNHYZAJKSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)C[N@H+]1C1CC1 ZINC000611640439 439715858 /nfs/dbraw/zinc/71/58/58/439715858.db2.gz ITHJUZNNGQJBCS-VNHYZAJKSA-N 1 3 336.480 0.717 20 0 ECADHO CCN(C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(CC)C1 ZINC000611955842 439738668 /nfs/dbraw/zinc/73/86/68/439738668.db2.gz LFFHSRPBLIHBAR-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(CC)C1 ZINC000611955842 439738669 /nfs/dbraw/zinc/73/86/69/439738669.db2.gz LFFHSRPBLIHBAR-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](CO)C[NH+](C)C)CC2)c1 ZINC000614850254 439788667 /nfs/dbraw/zinc/78/86/67/439788667.db2.gz WFFMXNZBWQQSIB-QGZVFWFLSA-N 1 3 348.491 0.546 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000615617199 439803205 /nfs/dbraw/zinc/80/32/05/439803205.db2.gz VDGXAQWZNPKJHR-CRAIPNDOSA-N 1 3 336.480 0.341 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000615617199 439803206 /nfs/dbraw/zinc/80/32/06/439803206.db2.gz VDGXAQWZNPKJHR-CRAIPNDOSA-N 1 3 336.480 0.341 20 0 ECADHO COCCCN(C)CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662743565 439865955 /nfs/dbraw/zinc/86/59/55/439865955.db2.gz PHLPMYBPAGTRHY-AWEZNQCLSA-N 1 3 338.456 0.291 20 0 ECADHO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000662759419 439877772 /nfs/dbraw/zinc/87/77/72/439877772.db2.gz WFDPHYWWUIABPR-GXTWGEPZSA-N 1 3 336.402 0.528 20 0 ECADHO CNS(=O)(=O)c1ccccc1NCC[N@H+](C)CCCN(C)C ZINC000641655829 439881175 /nfs/dbraw/zinc/88/11/75/439881175.db2.gz AETSMKFZIDSQLR-UHFFFAOYSA-N 1 3 328.482 0.890 20 0 ECADHO CNS(=O)(=O)c1ccccc1NCC[N@@H+](C)CCCN(C)C ZINC000641655829 439881182 /nfs/dbraw/zinc/88/11/82/439881182.db2.gz AETSMKFZIDSQLR-UHFFFAOYSA-N 1 3 328.482 0.890 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)c1 ZINC000662699294 439849571 /nfs/dbraw/zinc/84/95/71/439849571.db2.gz ZSQIMVAARMCQAI-INIZCTEOSA-N 1 3 346.475 0.982 20 0 ECADHO C[NH+](C)[C@@H](CNC(=O)NCCN1CC[C@@H](O)C1)Cc1ccccc1 ZINC000636472091 439895284 /nfs/dbraw/zinc/89/52/84/439895284.db2.gz VGFXJAKRCARKIQ-IAGOWNOFSA-N 1 3 334.464 0.525 20 0 ECADHO Cc1nnc(SCC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[nH]1 ZINC000617505554 439899422 /nfs/dbraw/zinc/89/94/22/439899422.db2.gz HLJFZJUSBRSPFJ-NSHDSACASA-N 1 3 328.486 0.593 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(C(=O)NC2CC2)CCC1 ZINC000617505910 439900975 /nfs/dbraw/zinc/90/09/75/439900975.db2.gz VBNSSEZSSVFDOQ-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(C(=O)NC2CC2)CCC1 ZINC000617505910 439900981 /nfs/dbraw/zinc/90/09/81/439900981.db2.gz VBNSSEZSSVFDOQ-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)Cc1ccccc1 ZINC000652666920 439907822 /nfs/dbraw/zinc/90/78/22/439907822.db2.gz XGAYZYKUALUGSG-INIZCTEOSA-N 1 3 346.475 0.521 20 0 ECADHO O=C(CNC[C@H]1CCCO1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662858034 439916988 /nfs/dbraw/zinc/91/69/88/439916988.db2.gz DNLSICHGJJJTIV-ZWKOTPCHSA-N 1 3 347.459 0.638 20 0 ECADHO O=C(CNC[C@H]1CCCO1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662858034 439916994 /nfs/dbraw/zinc/91/69/94/439916994.db2.gz DNLSICHGJJJTIV-ZWKOTPCHSA-N 1 3 347.459 0.638 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[C@H](CN)C1 ZINC000662983431 439978288 /nfs/dbraw/zinc/97/82/88/439978288.db2.gz CGCNFKGUJZBBCM-OAGGEKHMSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[C@H](CN)C1 ZINC000662983431 439978293 /nfs/dbraw/zinc/97/82/93/439978293.db2.gz CGCNFKGUJZBBCM-OAGGEKHMSA-N 1 3 338.496 0.905 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000631919313 439978941 /nfs/dbraw/zinc/97/89/41/439978941.db2.gz HQILQJNUOGLEQG-INIZCTEOSA-N 1 3 346.541 0.370 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000631919313 439978948 /nfs/dbraw/zinc/97/89/48/439978948.db2.gz HQILQJNUOGLEQG-INIZCTEOSA-N 1 3 346.541 0.370 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000626987121 439979820 /nfs/dbraw/zinc/97/98/20/439979820.db2.gz XTOFHONKFCHEPY-JKSUJKDBSA-N 1 3 337.512 0.844 20 0 ECADHO CN(C)CCCS(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000631835467 439936954 /nfs/dbraw/zinc/93/69/54/439936954.db2.gz ABFXPRHWKGCJAJ-UHFFFAOYSA-N 1 3 343.493 0.998 20 0 ECADHO CCN1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626910232 439952125 /nfs/dbraw/zinc/95/21/25/439952125.db2.gz HIJVOSGQFCCBBF-GXTWGEPZSA-N 1 3 348.451 0.345 20 0 ECADHO CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016687 439989902 /nfs/dbraw/zinc/98/99/02/439989902.db2.gz DTVVAIGQWLXWLV-HUUCEWRRSA-N 1 3 348.495 0.913 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642641295 439996886 /nfs/dbraw/zinc/99/68/86/439996886.db2.gz HFDMQTQZRGSKKV-GOEBONIOSA-N 1 3 334.464 0.723 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000631945037 440001678 /nfs/dbraw/zinc/00/16/78/440001678.db2.gz NVAOSBSRJVHHIO-GJZGRUSLSA-N 1 3 333.498 0.486 20 0 ECADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NCC[NH2+]C1CC1 ZINC000642733043 440021074 /nfs/dbraw/zinc/02/10/74/440021074.db2.gz SHFYUAFVMBNXNK-UHFFFAOYSA-N 1 3 344.459 0.419 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000627165454 440026511 /nfs/dbraw/zinc/02/65/11/440026511.db2.gz WJVCBXNRNNSSFQ-YYIAUSFCSA-N 1 3 337.512 0.794 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000627006572 439988463 /nfs/dbraw/zinc/98/84/63/439988463.db2.gz IAASYTAFFQXAFB-LSDHHAIUSA-N 1 3 335.452 0.962 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000642911774 440061052 /nfs/dbraw/zinc/06/10/52/440061052.db2.gz YOFWHXVKYNJVND-OWCLPIDISA-N 1 3 336.480 0.849 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000642921405 440065466 /nfs/dbraw/zinc/06/54/66/440065466.db2.gz DKIMORCDUGVIBQ-CVEARBPZSA-N 1 3 332.448 0.792 20 0 ECADHO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000642981366 440075886 /nfs/dbraw/zinc/07/58/86/440075886.db2.gz ZMBKOSQKZWYUDN-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@@H]3CNCCC3(F)F)C2)C1 ZINC000653183865 440091071 /nfs/dbraw/zinc/09/10/71/440091071.db2.gz KPIFNTGCOHVDNW-CRWXNKLISA-N 1 3 331.407 0.976 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000647489655 440052543 /nfs/dbraw/zinc/05/25/43/440052543.db2.gz VFUGWUMAKOZMLC-INIZCTEOSA-N 1 3 344.459 0.866 20 0 ECADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642908865 440057151 /nfs/dbraw/zinc/05/71/51/440057151.db2.gz AJFXFJVQADXBFQ-HOCLYGCPSA-N 1 3 347.463 0.358 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c(OCCN(C)C)c1 ZINC000663614080 440120701 /nfs/dbraw/zinc/12/07/01/440120701.db2.gz YYMWZPAQRMBMFG-SFHVURJKSA-N 1 3 348.447 0.742 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000653358220 440131451 /nfs/dbraw/zinc/13/14/51/440131451.db2.gz HQHMSWJKJPPPMQ-UHFFFAOYSA-N 1 3 338.496 0.923 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)[C@@H]1CCN(CC)C1 ZINC000658825729 440141441 /nfs/dbraw/zinc/14/14/41/440141441.db2.gz MMFKFOQSABHBJD-CRAIPNDOSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[C@@H]1CCN(CC)C1 ZINC000658825729 440141447 /nfs/dbraw/zinc/14/14/47/440141447.db2.gz MMFKFOQSABHBJD-CRAIPNDOSA-N 1 3 336.480 0.483 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000647595564 440097532 /nfs/dbraw/zinc/09/75/32/440097532.db2.gz QJJYVCAZORNGCF-QWHCGFSZSA-N 1 3 342.484 0.234 20 0 ECADHO CCN(C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663561402 440104086 /nfs/dbraw/zinc/10/40/86/440104086.db2.gz UCLQSOYMDUEDAU-SJORKVTESA-N 1 3 339.528 0.994 20 0 ECADHO CCN(C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663561402 440104092 /nfs/dbraw/zinc/10/40/92/440104092.db2.gz UCLQSOYMDUEDAU-SJORKVTESA-N 1 3 339.528 0.994 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000627393723 440176140 /nfs/dbraw/zinc/17/61/40/440176140.db2.gz IWXGSZHESAATDF-KRWDZBQOSA-N 1 3 346.475 0.820 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000643478890 440179923 /nfs/dbraw/zinc/17/99/23/440179923.db2.gz MKDHGNSSWARQCM-UHFFFAOYSA-N 1 3 345.447 0.188 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1CN1CCCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643494648 440186733 /nfs/dbraw/zinc/18/67/33/440186733.db2.gz SOUXMZMXTNYBFD-LPHOPBHVSA-N 1 3 348.491 0.675 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000643504106 440189868 /nfs/dbraw/zinc/18/98/68/440189868.db2.gz BCPVRQHELFDMIQ-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000643510644 440192462 /nfs/dbraw/zinc/19/24/62/440192462.db2.gz GYKHRPVDQATKHV-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC[C@H]1[NH3+] ZINC000643510654 440193625 /nfs/dbraw/zinc/19/36/25/440193625.db2.gz LEZVCOYNSAVNLE-BZUAXINKSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@H]1CCCN3CCCC[C@H]13)C2 ZINC000627425083 440195554 /nfs/dbraw/zinc/19/55/54/440195554.db2.gz DHOKKNUVNOZHPJ-QGWWYQLQSA-N 1 3 348.491 0.578 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643524271 440196892 /nfs/dbraw/zinc/19/68/92/440196892.db2.gz BFZCRMUADDCRTL-HOCLYGCPSA-N 1 3 348.447 0.380 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000627427442 440196934 /nfs/dbraw/zinc/19/69/34/440196934.db2.gz FJMREXLFUSCDGP-VNQPRFMTSA-N 1 3 336.480 0.766 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000663717639 440160329 /nfs/dbraw/zinc/16/03/29/440160329.db2.gz XINPMNJHIDTQGL-CABCVRRESA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000663717639 440160335 /nfs/dbraw/zinc/16/03/35/440160335.db2.gz XINPMNJHIDTQGL-CABCVRRESA-N 1 3 339.484 0.275 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643592634 440217930 /nfs/dbraw/zinc/21/79/30/440217930.db2.gz QWOOKODQAUCARR-ZBFHGGJFSA-N 1 3 332.448 0.525 20 0 ECADHO COC[C@@]1(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000637264153 440219786 /nfs/dbraw/zinc/21/97/86/440219786.db2.gz KRIBAGRHPGDLST-DOTOQJQBSA-N 1 3 344.500 0.705 20 0 ECADHO COC[C@@]1(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000637264153 440219793 /nfs/dbraw/zinc/21/97/93/440219793.db2.gz KRIBAGRHPGDLST-DOTOQJQBSA-N 1 3 344.500 0.705 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643545442 440207422 /nfs/dbraw/zinc/20/74/22/440207422.db2.gz UUZOGIYVPAXPCZ-LVQVYYBASA-N 1 3 334.464 0.282 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000643545267 440207734 /nfs/dbraw/zinc/20/77/34/440207734.db2.gz UGIUWBNPLMJXKP-FZKCQIBNSA-N 1 3 334.464 0.282 20 0 ECADHO N[C@H]1CCCCN(CC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1=O ZINC000648137502 440240790 /nfs/dbraw/zinc/24/07/90/440240790.db2.gz BZBFPZLGBNKTCM-UWVGGRQHSA-N 1 3 337.449 0.237 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659100447 440247251 /nfs/dbraw/zinc/24/72/51/440247251.db2.gz ULWKNUUZKDTTMM-UHFFFAOYSA-N 1 3 348.447 0.953 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664183155 440250804 /nfs/dbraw/zinc/25/08/04/440250804.db2.gz RZBSJFPWOFGDCU-WBVHZDCISA-N 1 3 336.480 0.711 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664183155 440250809 /nfs/dbraw/zinc/25/08/09/440250809.db2.gz RZBSJFPWOFGDCU-WBVHZDCISA-N 1 3 336.480 0.711 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc(N2CCOCC2)n1 ZINC000664196104 440256715 /nfs/dbraw/zinc/25/67/15/440256715.db2.gz GSIAXGXXHKNEDT-HNNXBMFYSA-N 1 3 336.484 0.997 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc(N2CCOCC2)n1 ZINC000664196104 440256719 /nfs/dbraw/zinc/25/67/19/440256719.db2.gz GSIAXGXXHKNEDT-HNNXBMFYSA-N 1 3 336.484 0.997 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC2CCN(C)CC2)C1 ZINC000659356357 440304899 /nfs/dbraw/zinc/30/48/99/440304899.db2.gz BDLPQLCHIOFTAP-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nnnn1C1CC1 ZINC000664250310 440270015 /nfs/dbraw/zinc/27/00/15/440270015.db2.gz ICYQVCLSYIKSRF-LBPRGKRZSA-N 1 3 338.460 0.079 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nnnn1C1CC1 ZINC000664250310 440270020 /nfs/dbraw/zinc/27/00/20/440270020.db2.gz ICYQVCLSYIKSRF-LBPRGKRZSA-N 1 3 338.460 0.079 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C1 ZINC000637801475 440336949 /nfs/dbraw/zinc/33/69/49/440336949.db2.gz KODZVCZJYVXFTA-ZDUSSCGKSA-N 1 3 331.420 0.737 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000659611161 440372755 /nfs/dbraw/zinc/37/27/55/440372755.db2.gz PZVZUXKUAQOJAA-DZGCQCFKSA-N 1 3 335.456 0.568 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000659611161 440372762 /nfs/dbraw/zinc/37/27/62/440372762.db2.gz PZVZUXKUAQOJAA-DZGCQCFKSA-N 1 3 335.456 0.568 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654500146 440334403 /nfs/dbraw/zinc/33/44/03/440334403.db2.gz CNKLDFVKMDBQJC-YESZJQIVSA-N 1 3 338.496 0.815 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654500146 440334408 /nfs/dbraw/zinc/33/44/08/440334408.db2.gz CNKLDFVKMDBQJC-YESZJQIVSA-N 1 3 338.496 0.815 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000659629201 440382507 /nfs/dbraw/zinc/38/25/07/440382507.db2.gz QQNOTIVIRKTVTC-STQMWFEESA-N 1 3 348.451 0.562 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630469 440382521 /nfs/dbraw/zinc/38/25/21/440382521.db2.gz JEFQOVDWFLYWHJ-DGCLKSJQSA-N 1 3 334.424 0.267 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630469 440382525 /nfs/dbraw/zinc/38/25/25/440382525.db2.gz JEFQOVDWFLYWHJ-DGCLKSJQSA-N 1 3 334.424 0.267 20 0 ECADHO CCN1CCN(CCC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000649132005 440399192 /nfs/dbraw/zinc/39/91/92/440399192.db2.gz IPJOMWDIXNBDIB-UHFFFAOYSA-N 1 3 338.496 0.337 20 0 ECADHO C[C@@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000638141750 440464273 /nfs/dbraw/zinc/46/42/73/440464273.db2.gz WBOSLHQCLGDKKC-FUHWJXTLSA-N 1 3 347.507 0.198 20 0 ECADHO C[C@@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000638141750 440464277 /nfs/dbraw/zinc/46/42/77/440464277.db2.gz WBOSLHQCLGDKKC-FUHWJXTLSA-N 1 3 347.507 0.198 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000649279138 440430075 /nfs/dbraw/zinc/43/00/75/440430075.db2.gz YPOZXZBYJBXXOA-ZIAGYGMSSA-N 1 3 333.436 0.423 20 0 ECADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659699459 440431524 /nfs/dbraw/zinc/43/15/24/440431524.db2.gz TXOGMVIQBYXUBR-SYJJWHGVSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659699459 440431529 /nfs/dbraw/zinc/43/15/29/440431529.db2.gz TXOGMVIQBYXUBR-SYJJWHGVSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)[C@H](CN)C1 ZINC000659700119 440433451 /nfs/dbraw/zinc/43/34/51/440433451.db2.gz BCMKUOVYQJSDPJ-LMPOIIKSSA-N 1 3 336.480 0.705 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000659718882 440454878 /nfs/dbraw/zinc/45/48/78/440454878.db2.gz RHTJWCVYNGLISX-CABCVRRESA-N 1 3 338.496 0.999 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659722424 440458640 /nfs/dbraw/zinc/45/86/40/440458640.db2.gz NWRXGDKCEYQEBC-INIZCTEOSA-N 1 3 344.459 0.895 20 0 ECADHO COC[C@@]1(CNC(=O)[C@H](N)CN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000638231112 440484093 /nfs/dbraw/zinc/48/40/93/440484093.db2.gz NKMYWAIOEIUVSE-AEFFLSMTSA-N 1 3 334.464 0.331 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cn1 ZINC000638340745 440519026 /nfs/dbraw/zinc/51/90/26/440519026.db2.gz SMDRYOZSBUPFLT-DLBZAZTESA-N 1 3 349.479 0.803 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC([C@H]2CCOC2)C1 ZINC000665763088 440523288 /nfs/dbraw/zinc/52/32/88/440523288.db2.gz YIFYXGHDRXLKHS-GJZGRUSLSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC([C@H]2CCOC2)C1 ZINC000665763088 440523292 /nfs/dbraw/zinc/52/32/92/440523292.db2.gz YIFYXGHDRXLKHS-GJZGRUSLSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000665758882 440524003 /nfs/dbraw/zinc/52/40/03/440524003.db2.gz RXWVTOAHRSSFOP-UONOGXRCSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000665758882 440524004 /nfs/dbraw/zinc/52/40/04/440524004.db2.gz RXWVTOAHRSSFOP-UONOGXRCSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)[C@H]1CCCOC1 ZINC000665764203 440528316 /nfs/dbraw/zinc/52/83/16/440528316.db2.gz YDGOPIJNVNOTEB-HRCADAONSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)[C@H]1CCCOC1 ZINC000665764203 440528320 /nfs/dbraw/zinc/52/83/20/440528320.db2.gz YDGOPIJNVNOTEB-HRCADAONSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000665764526 440529792 /nfs/dbraw/zinc/52/97/92/440529792.db2.gz HVSBADQKOQEQDM-HLLBOEOZSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000665764526 440529797 /nfs/dbraw/zinc/52/97/97/440529797.db2.gz HVSBADQKOQEQDM-HLLBOEOZSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)C[C@H]1CCCN1C ZINC000665764189 440530652 /nfs/dbraw/zinc/53/06/52/440530652.db2.gz XMLLHXMJWYIODL-JKSUJKDBSA-N 1 3 327.517 0.994 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000638528086 440561394 /nfs/dbraw/zinc/56/13/94/440561394.db2.gz ULKHTWCIKNAUOU-HZPDHXFCSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@@H]1CN(CC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)C[C@H](C)O1 ZINC000660120041 440601566 /nfs/dbraw/zinc/60/15/66/440601566.db2.gz BQPABRDUBALBKP-UXLLHSPISA-N 1 3 338.496 0.510 20 0 ECADHO Cc1cccc(N2CCN(CCC(=O)N(C)CCOCC[NH3+])CC2)c1 ZINC000638676497 440601610 /nfs/dbraw/zinc/60/16/10/440601610.db2.gz WUMRUUSHSCORMP-UHFFFAOYSA-N 1 3 348.491 0.941 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)OCCNC2 ZINC000638671839 440602007 /nfs/dbraw/zinc/60/20/07/440602007.db2.gz PRLQKYRQBFJDIV-CQSZACIVSA-N 1 3 332.404 0.365 20 0 ECADHO C[C@@H]1CN(CC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)C[C@@H](C)O1 ZINC000660120040 440604152 /nfs/dbraw/zinc/60/41/52/440604152.db2.gz BQPABRDUBALBKP-INMHGKMJSA-N 1 3 338.496 0.510 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000660269646 440627805 /nfs/dbraw/zinc/62/78/05/440627805.db2.gz KXOGVVGRLDAINH-BZUAXINKSA-N 1 3 338.496 0.774 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1=O ZINC000638877132 440637524 /nfs/dbraw/zinc/63/75/24/440637524.db2.gz HIJHJVZZILTELS-IRXDYDNUSA-N 1 3 346.475 0.473 20 0 ECADHO N[C@@H](Cc1ccccc1)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987508 440657332 /nfs/dbraw/zinc/65/73/32/440657332.db2.gz RYGWJSGGXVIALT-INIZCTEOSA-N 1 3 325.416 1.000 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C[NH3+])c3ccccc32)CC1=O ZINC000639066954 440669583 /nfs/dbraw/zinc/66/95/83/440669583.db2.gz GNXHOGBTDJIPIY-HUUCEWRRSA-N 1 3 344.459 0.876 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N1CCN(C)CC1 ZINC000655913860 440639630 /nfs/dbraw/zinc/63/96/30/440639630.db2.gz VXPKUYBEPZGMHG-RYUDHWBXSA-N 1 3 339.406 0.447 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634702953 440691657 /nfs/dbraw/zinc/69/16/57/440691657.db2.gz NKSJFJWAPYBVKJ-AZUAARDMSA-N 1 3 346.519 0.849 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634702953 440691660 /nfs/dbraw/zinc/69/16/60/440691660.db2.gz NKSJFJWAPYBVKJ-AZUAARDMSA-N 1 3 346.519 0.849 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634702953 440691661 /nfs/dbraw/zinc/69/16/61/440691661.db2.gz NKSJFJWAPYBVKJ-AZUAARDMSA-N 1 3 346.519 0.849 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCCNCc2cccnc2)C1 ZINC000656019158 440691734 /nfs/dbraw/zinc/69/17/34/440691734.db2.gz ARIFZIPDUCYAAU-IYBDPMFKSA-N 1 3 347.463 0.134 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656024483 440695493 /nfs/dbraw/zinc/69/54/93/440695493.db2.gz QILATLQBFRLSJV-JJTUDDRGSA-N 1 3 348.491 0.624 20 0 ECADHO OC[C@H](CN1CCCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634722523 440697967 /nfs/dbraw/zinc/69/79/67/440697967.db2.gz QJEYBXLDRXFSSR-RBUKOAKNSA-N 1 3 333.476 0.670 20 0 ECADHO OC[C@H](CN1CCCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722523 440697972 /nfs/dbraw/zinc/69/79/72/440697972.db2.gz QJEYBXLDRXFSSR-RBUKOAKNSA-N 1 3 333.476 0.670 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656029372 440699188 /nfs/dbraw/zinc/69/91/88/440699188.db2.gz ZAHWLHCCDHBRJR-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656029373 440699373 /nfs/dbraw/zinc/69/93/73/440699373.db2.gz ZAHWLHCCDHBRJR-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@@H]1C[NH3+] ZINC000656028472 440700307 /nfs/dbraw/zinc/70/03/07/440700307.db2.gz LJLDDQCONBDDMI-QXSJWSMHSA-N 1 3 336.480 0.563 20 0 ECADHO C[NH2+]CCOCCN[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000629528689 440718367 /nfs/dbraw/zinc/71/83/67/440718367.db2.gz GVLZDJILIFEVEC-GFCCVEGCSA-N 1 3 330.450 0.985 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)C1=O ZINC000629541491 440722617 /nfs/dbraw/zinc/72/26/17/440722617.db2.gz VNAWCQCLENREAT-KGLIPLIRSA-N 1 3 338.452 0.535 20 0 ECADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCCOCCC[NH3+] ZINC000629539283 440722632 /nfs/dbraw/zinc/72/26/32/440722632.db2.gz PDIFSKNBULGMSG-ZDUSSCGKSA-N 1 3 329.466 0.967 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCC(C)CC1 ZINC000656304582 440758591 /nfs/dbraw/zinc/75/85/91/440758591.db2.gz BWESFSFWAGXPDS-HRCADAONSA-N 1 3 338.496 0.679 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639550351 440739769 /nfs/dbraw/zinc/73/97/69/440739769.db2.gz OOMPKKYDCCRYIT-KRWDZBQOSA-N 1 3 343.512 0.237 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639550351 440739777 /nfs/dbraw/zinc/73/97/77/440739777.db2.gz OOMPKKYDCCRYIT-KRWDZBQOSA-N 1 3 343.512 0.237 20 0 ECADHO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000629584355 440739990 /nfs/dbraw/zinc/73/99/90/440739990.db2.gz SLKDUDXGJJMOLI-UFYCRDLUSA-N 1 3 347.503 0.916 20 0 ECADHO Cc1cnc(OC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)nc1 ZINC000656193888 440743895 /nfs/dbraw/zinc/74/38/95/440743895.db2.gz XEUKQAIFSYBNAF-HNNXBMFYSA-N 1 3 347.463 0.826 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000629615450 440744280 /nfs/dbraw/zinc/74/42/80/440744280.db2.gz PGEGUTJKFRGTNK-KFWWJZLASA-N 1 3 337.468 0.073 20 0 ECADHO CC1(N2CCOCC2)CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000629654241 440745835 /nfs/dbraw/zinc/74/58/35/440745835.db2.gz COQPBCNBSQVQNF-MRXNPFEDSA-N 1 3 338.496 0.370 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000645204921 440763368 /nfs/dbraw/zinc/76/33/68/440763368.db2.gz ACTOLEDVHKEASE-RBSFLKMASA-N 1 3 337.468 0.375 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000645204921 440763373 /nfs/dbraw/zinc/76/33/73/440763373.db2.gz ACTOLEDVHKEASE-RBSFLKMASA-N 1 3 337.468 0.375 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C2 ZINC000629794311 440763707 /nfs/dbraw/zinc/76/37/07/440763707.db2.gz ROAGPOHOMGHAQU-ZYSHUDEJSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645235929 440768295 /nfs/dbraw/zinc/76/82/95/440768295.db2.gz ZETHSHQYXPDJIW-ZFWWWQNUSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645235929 440768298 /nfs/dbraw/zinc/76/82/98/440768298.db2.gz ZETHSHQYXPDJIW-ZFWWWQNUSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000645269515 440773556 /nfs/dbraw/zinc/77/35/56/440773556.db2.gz PLGFSDJWMZWREN-UONOGXRCSA-N 1 3 341.500 0.724 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1=CC[N@H+](C)CC1 ZINC000656336219 440775215 /nfs/dbraw/zinc/77/52/15/440775215.db2.gz XRXUFQZWNVTOEL-XIRDDKMYSA-N 1 3 348.491 0.886 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1=CC[N@@H+](C)CC1 ZINC000656336219 440775220 /nfs/dbraw/zinc/77/52/20/440775220.db2.gz XRXUFQZWNVTOEL-XIRDDKMYSA-N 1 3 348.491 0.886 20 0 ECADHO C[C@@H](CNC(=O)c1ccccc1CC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000635254425 440796432 /nfs/dbraw/zinc/79/64/32/440796432.db2.gz DTUUNIWYBIDDAV-GJZGRUSLSA-N 1 3 348.491 0.975 20 0 ECADHO C[C@@H](CNC(=O)Cc1ccccc1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000635254425 440796442 /nfs/dbraw/zinc/79/64/42/440796442.db2.gz DTUUNIWYBIDDAV-GJZGRUSLSA-N 1 3 348.491 0.975 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000661222247 440817492 /nfs/dbraw/zinc/81/74/92/440817492.db2.gz ZFFZMIPBSGYDFC-DJIMGWMZSA-N 1 3 341.496 0.743 20 0 ECADHO CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000645624803 440870654 /nfs/dbraw/zinc/87/06/54/440870654.db2.gz FURDJGOOMLJZAX-HOCLYGCPSA-N 1 3 330.432 0.849 20 0 ECADHO CC[NH+]1CCN([C@H](C)CNC(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000635557107 440901692 /nfs/dbraw/zinc/90/16/92/440901692.db2.gz ZJAWUJLXMGOORQ-MRXNPFEDSA-N 1 3 340.512 0.487 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662251376 440993203 /nfs/dbraw/zinc/99/32/03/440993203.db2.gz AWACCDBDVYDXTI-RRFJBIMHSA-N 1 3 325.453 0.371 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662251376 440993208 /nfs/dbraw/zinc/99/32/08/440993208.db2.gz AWACCDBDVYDXTI-RRFJBIMHSA-N 1 3 325.453 0.371 20 0 ECADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662261777 440996494 /nfs/dbraw/zinc/99/64/94/440996494.db2.gz ARQHIBUDZLYPIC-KRWDZBQOSA-N 1 3 348.491 0.737 20 0 ECADHO CN(C)[C@H](CNC(=O)CNC1(CO)CC[NH2+]CC1)c1ccccc1 ZINC000662286000 441006055 /nfs/dbraw/zinc/00/60/55/441006055.db2.gz FMPVYXJYSMAGSD-MRXNPFEDSA-N 1 3 334.464 0.110 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N[C@H](CO)C[NH+](C)C)cc2)CC1 ZINC000646208697 441022860 /nfs/dbraw/zinc/02/28/60/441022860.db2.gz GBNGHAJOHDTNCV-INIZCTEOSA-N 1 3 334.464 0.481 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000662391061 441026949 /nfs/dbraw/zinc/02/69/49/441026949.db2.gz VLNZBDAWLURXKI-UHFFFAOYSA-N 1 3 332.408 0.107 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cccc3c2CNC3)CC1 ZINC000662450869 441044185 /nfs/dbraw/zinc/04/41/85/441044185.db2.gz HLCIKNDQINFBIB-UHFFFAOYSA-N 1 3 344.459 0.962 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641026264 441046856 /nfs/dbraw/zinc/04/68/56/441046856.db2.gz OZAUKWNNAPQKGE-CABCVRRESA-N 1 3 337.468 0.077 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652319167 441049171 /nfs/dbraw/zinc/04/91/71/441049171.db2.gz NTQKBVAULNCTOU-HNNXBMFYSA-N 1 3 325.501 0.701 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662492860 441057400 /nfs/dbraw/zinc/05/74/00/441057400.db2.gz AZCSGARCVCCYKC-CABCVRRESA-N 1 3 348.495 0.490 20 0 ECADHO COCCCNC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346579 441058862 /nfs/dbraw/zinc/05/88/62/441058862.db2.gz ARLBMBXTLPODOG-CAOSSQGBSA-N 1 3 327.469 0.746 20 0 ECADHO CN(C)S(=O)(=O)CCCN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362576 441061087 /nfs/dbraw/zinc/06/10/87/441061087.db2.gz KBQIUTMLJWOOLQ-RBSFLKMASA-N 1 3 333.498 0.629 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)C1=O ZINC000652361850 441061451 /nfs/dbraw/zinc/06/14/51/441061451.db2.gz REHOSLCTKSLWKT-BFHYXJOUSA-N 1 3 338.452 0.678 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000641279245 441087058 /nfs/dbraw/zinc/08/70/58/441087058.db2.gz ULWSJGOSDOSKMS-SJORKVTESA-N 1 3 337.512 0.925 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000339920095 321003728 /nfs/dbraw/zinc/00/37/28/321003728.db2.gz BYNUSRJUKQXBOY-GOEBONIOSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000340214098 321023453 /nfs/dbraw/zinc/02/34/53/321023453.db2.gz OCCXVVWPYYIVML-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000340214098 321023454 /nfs/dbraw/zinc/02/34/54/321023454.db2.gz OCCXVVWPYYIVML-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000340263848 321032460 /nfs/dbraw/zinc/03/24/60/321032460.db2.gz WWDUAMIECLVBKC-QLFBSQMISA-N 1 3 336.480 0.718 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340265003 321032661 /nfs/dbraw/zinc/03/26/61/321032661.db2.gz VHJHLJOXHSUOCQ-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340265003 321032664 /nfs/dbraw/zinc/03/26/64/321032664.db2.gz VHJHLJOXHSUOCQ-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)N(C)CCN(C)C)([NH+](C)C)C1 ZINC000343004719 321115784 /nfs/dbraw/zinc/11/57/84/321115784.db2.gz XLFWVZIYVJFOPK-WMLDXEAASA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000343139101 321124107 /nfs/dbraw/zinc/12/41/07/321124107.db2.gz PBRIOKUKOLAUHW-KFWWJZLASA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343315723 321132860 /nfs/dbraw/zinc/13/28/60/321132860.db2.gz YTVSPIBGHMYZKV-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343315723 321132862 /nfs/dbraw/zinc/13/28/62/321132862.db2.gz YTVSPIBGHMYZKV-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCN1C ZINC000348030596 321262946 /nfs/dbraw/zinc/26/29/46/321262946.db2.gz XSNLEGJXXITLRB-ZFWWWQNUSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(CCOC1C[NH2+]C1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000349058993 321296520 /nfs/dbraw/zinc/29/65/20/321296520.db2.gz SXWLWJCXSTVVNL-UHFFFAOYSA-N 1 3 347.459 0.638 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000349907327 321318453 /nfs/dbraw/zinc/31/84/53/321318453.db2.gz RAEREEXOZACMEF-INIZCTEOSA-N 1 3 341.500 0.032 20 0 ECADHO CN(Cc1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1)[C@@H]1COC[C@@H]1O ZINC000352802731 321373075 /nfs/dbraw/zinc/37/30/75/321373075.db2.gz WJDZKJZFLZEBAN-TVFCKZIOSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1)[C@@H]1COC[C@@H]1O ZINC000352802731 321373077 /nfs/dbraw/zinc/37/30/77/321373077.db2.gz WJDZKJZFLZEBAN-TVFCKZIOSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccc(C[N@H+](C)[C@@H]2COC[C@@H]2O)cc1)[C@@H]1COC[C@H]1O ZINC000352802731 321373079 /nfs/dbraw/zinc/37/30/79/321373079.db2.gz WJDZKJZFLZEBAN-TVFCKZIOSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)cc1)[C@@H]1COC[C@H]1O ZINC000352802731 321373080 /nfs/dbraw/zinc/37/30/80/321373080.db2.gz WJDZKJZFLZEBAN-TVFCKZIOSA-N 1 3 336.432 0.070 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCNC(=O)c1cccs1 ZINC000531118625 322035600 /nfs/dbraw/zinc/03/56/00/322035600.db2.gz TYCUWXWNAPFYFV-UHFFFAOYSA-N 1 3 340.493 0.820 20 0 ECADHO CN1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[C@@H]1c1ccccc1 ZINC000545883222 322110680 /nfs/dbraw/zinc/11/06/80/322110680.db2.gz BDFDZFUCIIBFQO-BQFCYCMXSA-N 1 3 332.448 0.798 20 0 ECADHO CN1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[C@@H]1c1ccccc1 ZINC000545883222 322110682 /nfs/dbraw/zinc/11/06/82/322110682.db2.gz BDFDZFUCIIBFQO-BQFCYCMXSA-N 1 3 332.448 0.798 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000550131840 322165194 /nfs/dbraw/zinc/16/51/94/322165194.db2.gz BQXBHVUHLSPCOF-MRXNPFEDSA-N 1 3 336.480 0.675 20 0 ECADHO CC(C)[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)N(C)C ZINC000554233121 322169371 /nfs/dbraw/zinc/16/93/71/322169371.db2.gz QROONXQLBKSQKX-INIZCTEOSA-N 1 3 326.485 0.681 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000557865360 322211365 /nfs/dbraw/zinc/21/13/65/322211365.db2.gz UODYOIBFZRDDEW-ZDUSSCGKSA-N 1 3 348.438 0.490 20 0 ECADHO C[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1C ZINC000559351863 322218940 /nfs/dbraw/zinc/21/89/40/322218940.db2.gz HHDACIBTLNRPCB-OWCLPIDISA-N 1 3 340.512 0.879 20 0 ECADHO [NH3+]CCCCn1cc(C(=O)Nc2ccc3c(c2)CNCCO3)nn1 ZINC000563107348 322298523 /nfs/dbraw/zinc/29/85/23/322298523.db2.gz BWACNEZFZXFCSF-UHFFFAOYSA-N 1 3 330.392 0.751 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000563140809 322300807 /nfs/dbraw/zinc/30/08/07/322300807.db2.gz GKQDCVKMMTYOFH-PBHICJAKSA-N 1 3 346.475 0.918 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC1(O)CCOCC1 ZINC000563935701 322354443 /nfs/dbraw/zinc/35/44/43/322354443.db2.gz AQSCFSCXENIEIX-UHFFFAOYSA-N 1 3 330.473 0.053 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000564842493 322398589 /nfs/dbraw/zinc/39/85/89/322398589.db2.gz WYGQLNDJRCEQCU-DLBZAZTESA-N 1 3 348.495 0.978 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000564935907 322410299 /nfs/dbraw/zinc/41/02/99/322410299.db2.gz GJJXWIJUOMNFKI-OLZOCXBDSA-N 1 3 327.473 0.354 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000564968226 322414998 /nfs/dbraw/zinc/41/49/98/322414998.db2.gz UMZFITAHHUHZDX-BXUZGUMPSA-N 1 3 343.497 0.419 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000565610399 322467337 /nfs/dbraw/zinc/46/73/37/322467337.db2.gz RUKWQEFHTVRXQE-HUUCEWRRSA-N 1 3 326.485 0.713 20 0 ECADHO [NH3+]CCCCn1cc(C(=O)NC[C@@H]2NCCc3ccccc32)nn1 ZINC000567109506 322570120 /nfs/dbraw/zinc/57/01/20/322570120.db2.gz LRFHUHJQWAPRRT-HNNXBMFYSA-N 1 3 328.420 0.634 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000567337394 322579618 /nfs/dbraw/zinc/57/96/18/322579618.db2.gz KVZMNLWMHQCZNA-TZMCWYRMSA-N 1 3 340.468 0.064 20 0 ECADHO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)CNC2 ZINC000567848575 322601531 /nfs/dbraw/zinc/60/15/31/322601531.db2.gz NVRGXVUQRNIHIB-AEFFLSMTSA-N 1 3 342.443 0.666 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000567917338 322606307 /nfs/dbraw/zinc/60/63/07/322606307.db2.gz IEJNKDYVQBXGPQ-HOCLYGCPSA-N 1 3 338.496 0.857 20 0 ECADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567926432 322606597 /nfs/dbraw/zinc/60/65/97/322606597.db2.gz ITFCIHFEHZTSDF-MHEUCROKSA-N 1 3 337.468 0.107 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(CF)CCOCC1 ZINC000571404806 322720436 /nfs/dbraw/zinc/72/04/36/322720436.db2.gz SFDMKPBZQMWUFR-UHFFFAOYSA-N 1 3 332.464 0.888 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000571746643 322731743 /nfs/dbraw/zinc/73/17/43/322731743.db2.gz CAQYPNGEJAOWFT-GJZGRUSLSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000572257707 322742062 /nfs/dbraw/zinc/74/20/62/322742062.db2.gz GFMKIERZJBWTDM-QGZVFWFLSA-N 1 3 342.443 0.968 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000576399898 322806723 /nfs/dbraw/zinc/80/67/23/322806723.db2.gz RUFNSGXLRZNYBO-MRXNPFEDSA-N 1 3 332.448 0.481 20 0 ECADHO COC1CCN(CCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000079807388 545699536 /nfs/dbraw/zinc/69/95/36/545699536.db2.gz XNIJZVKVMATLHH-UHFFFAOYSA-N 1 3 338.456 0.677 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248711102 545942952 /nfs/dbraw/zinc/94/29/52/545942952.db2.gz MUDLNJJGIJZICQ-OWCLPIDISA-N 1 3 337.512 0.937 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000248711102 545942955 /nfs/dbraw/zinc/94/29/55/545942955.db2.gz MUDLNJJGIJZICQ-OWCLPIDISA-N 1 3 337.512 0.937 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415544482 546206316 /nfs/dbraw/zinc/20/63/16/546206316.db2.gz GJKWUWCLKIDEGA-UHFFFAOYSA-N 1 3 336.436 0.552 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621647425 546535587 /nfs/dbraw/zinc/53/55/87/546535587.db2.gz IROWROQJTCXDJQ-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1)C2 ZINC000622027019 546608448 /nfs/dbraw/zinc/60/84/48/546608448.db2.gz WLJHTLVZRZHSIT-MDZRGWNJSA-N 1 3 348.491 0.803 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C2 ZINC000622027218 546609471 /nfs/dbraw/zinc/60/94/71/546609471.db2.gz ZCKBBFXBBRPAMM-RKVPGOIHSA-N 1 3 334.464 0.413 20 0 ECADHO C[NH+](C)CCCNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000623158361 546742165 /nfs/dbraw/zinc/74/21/65/546742165.db2.gz AQHPGFQCQSAPLO-UHFFFAOYSA-N 1 3 348.495 0.845 20 0 ECADHO C[C@H]1CCC[N@H+](Cc2ccc(CNc3nc(N)nc(N)n3)cc2)C1 ZINC000623859157 546849981 /nfs/dbraw/zinc/84/99/81/546849981.db2.gz CXBSNMGZUGUOAO-LBPRGKRZSA-N 1 3 327.436 0.963 20 0 ECADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3nc(N)nc(N)n3)cc2)C1 ZINC000623859157 546849984 /nfs/dbraw/zinc/84/99/84/546849984.db2.gz CXBSNMGZUGUOAO-LBPRGKRZSA-N 1 3 327.436 0.963 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000625464100 547107891 /nfs/dbraw/zinc/10/78/91/547107891.db2.gz BZZBFKZNBMKOOH-OWCLPIDISA-N 1 3 338.496 0.491 20 0 ECADHO O=C(NCCN1CC[C@H](O)C1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000625899968 547251612 /nfs/dbraw/zinc/25/16/12/547251612.db2.gz HONLFFLNAVSHKL-HOTGVXAUSA-N 1 3 334.420 0.536 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccccc2CCN(C)C)CCO1 ZINC000667404123 547516293 /nfs/dbraw/zinc/51/62/93/547516293.db2.gz BIQNXYFPGXFLLP-CZUORRHYSA-N 1 3 348.447 0.304 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000668692429 547727412 /nfs/dbraw/zinc/72/74/12/547727412.db2.gz FDKQWSOVOYKVMZ-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000668692429 547727415 /nfs/dbraw/zinc/72/74/15/547727415.db2.gz FDKQWSOVOYKVMZ-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000670708616 548039341 /nfs/dbraw/zinc/03/93/41/548039341.db2.gz GOSRRBBHCRBVAT-INIZCTEOSA-N 1 3 338.496 0.969 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000670984674 548076752 /nfs/dbraw/zinc/07/67/52/548076752.db2.gz RQJGPNPRWFPCQY-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670997179 548077725 /nfs/dbraw/zinc/07/77/25/548077725.db2.gz MFRORRRRHMINGF-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670997179 548077730 /nfs/dbraw/zinc/07/77/30/548077730.db2.gz MFRORRRRHMINGF-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000671376102 548131331 /nfs/dbraw/zinc/13/13/31/548131331.db2.gz ZQTYYDQAXHPLOF-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000672698056 548374136 /nfs/dbraw/zinc/37/41/36/548374136.db2.gz ISEZKXDMKZHZLY-ARFHVFGLSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000672698056 548374138 /nfs/dbraw/zinc/37/41/38/548374138.db2.gz ISEZKXDMKZHZLY-ARFHVFGLSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000672697433 548374280 /nfs/dbraw/zinc/37/42/80/548374280.db2.gz URIYGYSAZZDQOG-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000672698522 548374472 /nfs/dbraw/zinc/37/44/72/548374472.db2.gz RTLNIDCONHLZQS-RRFJBIMHSA-N 1 3 336.480 0.718 20 0 ECADHO CN(C)CCN(C)C(=O)c1cccc(C(=O)N(C)CC[NH+](C)C)n1 ZINC000673945069 548566517 /nfs/dbraw/zinc/56/65/17/548566517.db2.gz RTLGLCYUKMUXBG-UHFFFAOYSA-N 1 3 335.452 0.349 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000680010964 549143989 /nfs/dbraw/zinc/14/39/89/549143989.db2.gz PWXBMIHRCSWISH-JKSUJKDBSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000680010964 549143993 /nfs/dbraw/zinc/14/39/93/549143993.db2.gz PWXBMIHRCSWISH-JKSUJKDBSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680010964 549143996 /nfs/dbraw/zinc/14/39/96/549143996.db2.gz PWXBMIHRCSWISH-JKSUJKDBSA-N 1 3 338.496 0.239 20 0 ECADHO c1ncn([C@@H]2CCN(CCCC[N@@H+]3CC[C@@H](n4cncn4)C3)C2)n1 ZINC000681604749 549279133 /nfs/dbraw/zinc/27/91/33/549279133.db2.gz HUVKJLZJJIYYLO-HZPDHXFCSA-N 1 3 330.440 0.844 20 0 ECADHO c1ncn([C@@H]2CCN(CCCC[N@H+]3CC[C@@H](n4cncn4)C3)C2)n1 ZINC000681604749 549279136 /nfs/dbraw/zinc/27/91/36/549279136.db2.gz HUVKJLZJJIYYLO-HZPDHXFCSA-N 1 3 330.440 0.844 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000685277686 549673608 /nfs/dbraw/zinc/67/36/08/549673608.db2.gz FGIMQWMYQUPTOE-LSDHHAIUSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000685277686 549673611 /nfs/dbraw/zinc/67/36/11/549673611.db2.gz FGIMQWMYQUPTOE-LSDHHAIUSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000685277683 549674266 /nfs/dbraw/zinc/67/42/66/549674266.db2.gz FGIMQWMYQUPTOE-CABCVRRESA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000685277683 549674270 /nfs/dbraw/zinc/67/42/70/549674270.db2.gz FGIMQWMYQUPTOE-CABCVRRESA-N 1 3 336.480 0.671 20 0 ECADHO COCCN(C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734276532 578355550 /nfs/dbraw/zinc/35/55/50/578355550.db2.gz NBSROAWOLHKQBN-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000793697795 578935438 /nfs/dbraw/zinc/93/54/38/578935438.db2.gz HVFHBVZTSWTTMJ-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000793697795 578935439 /nfs/dbraw/zinc/93/54/39/578935439.db2.gz HVFHBVZTSWTTMJ-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000793697805 578935453 /nfs/dbraw/zinc/93/54/53/578935453.db2.gz HVFHBVZTSWTTMJ-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000793697805 578935454 /nfs/dbraw/zinc/93/54/54/578935454.db2.gz HVFHBVZTSWTTMJ-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000764504785 579577615 /nfs/dbraw/zinc/57/76/15/579577615.db2.gz QROGRZPVXQDKBZ-AWEZNQCLSA-N 1 3 341.525 0.051 20 0 ECADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1(O)CCN(C)CC1 ZINC000748363837 579858244 /nfs/dbraw/zinc/85/82/44/579858244.db2.gz CLKMMEITYYHQGY-OAHLLOKOSA-N 1 3 327.469 0.353 20 0 ECADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841051372 588976828 /nfs/dbraw/zinc/97/68/28/588976828.db2.gz QQIWXIWQEUZFDW-CYBMUJFWSA-N 1 3 330.432 0.871 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000841790739 589001132 /nfs/dbraw/zinc/00/11/32/589001132.db2.gz INSOEODOJBKDAP-IAGOWNOFSA-N 1 3 332.448 0.850 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842098115 589012028 /nfs/dbraw/zinc/01/20/28/589012028.db2.gz RESFXLGPJRPMAN-YJBOKZPZSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CCC(C)CC1 ZINC000842139350 589013019 /nfs/dbraw/zinc/01/30/19/589013019.db2.gz UTHBVMLZOAOMIL-YJBOKZPZSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842230264 589022946 /nfs/dbraw/zinc/02/29/46/589022946.db2.gz XTTUMKUNFQLVQQ-QGZVFWFLSA-N 1 3 346.475 0.604 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000891355902 586165116 /nfs/dbraw/zinc/16/51/16/586165116.db2.gz BMSNYCRQVPEYSA-HZPDHXFCSA-N 1 3 325.501 0.973 20 0 ECADHO COCCN(C)CCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891493580 586171676 /nfs/dbraw/zinc/17/16/76/586171676.db2.gz VKURBUMIXQFABU-GHMZBOCLSA-N 1 3 326.363 0.343 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891577969 586178879 /nfs/dbraw/zinc/17/88/79/586178879.db2.gz VDVPNFUYHUUPDI-LSDHHAIUSA-N 1 3 340.468 0.165 20 0 ECADHO CN(C)CCOCCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891842647 586200700 /nfs/dbraw/zinc/20/07/00/586200700.db2.gz VVVLYAYDGLSPKP-WDEREUQCSA-N 1 3 326.363 0.343 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C[NH+]1CCCC1 ZINC000892118043 586222599 /nfs/dbraw/zinc/22/25/99/586222599.db2.gz SVQOXCSHXNCHOK-ZACQAIPSSA-N 1 3 338.496 0.959 20 0 ECADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CNCCO1 ZINC000892183720 586228120 /nfs/dbraw/zinc/22/81/20/586228120.db2.gz JYJATHGZSYKKKQ-INIZCTEOSA-N 1 3 326.485 0.984 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892383038 586261873 /nfs/dbraw/zinc/26/18/73/586261873.db2.gz ARNMXNDRQIZKSP-AWEZNQCLSA-N 1 3 341.500 0.426 20 0 ECADHO CN1C[C@H]2CCN(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)[C@H]2C1 ZINC000892521728 586271278 /nfs/dbraw/zinc/27/12/78/586271278.db2.gz CKPXBZNPQHLTSD-QAPCUYQASA-N 1 3 349.523 0.891 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892593392 586275473 /nfs/dbraw/zinc/27/54/73/586275473.db2.gz JKHRRUUPUVFUQV-NXOAAHMSSA-N 1 3 337.512 0.842 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000892789648 586291263 /nfs/dbraw/zinc/29/12/63/586291263.db2.gz RBYLLCJDGNDFOU-ROUUACIJSA-N 1 3 343.475 0.390 20 0 ECADHO COC[C@@]1(CN(C)C)COCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000893224717 586317478 /nfs/dbraw/zinc/31/74/78/586317478.db2.gz ATVBUWRAOFIHFH-ZOBUZTSGSA-N 1 3 327.469 0.522 20 0 ECADHO COC[C@@]1(CN(C)C)COCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000893224717 586317481 /nfs/dbraw/zinc/31/74/81/586317481.db2.gz ATVBUWRAOFIHFH-ZOBUZTSGSA-N 1 3 327.469 0.522 20 0 ECADHO C[C@@H](CNC(=O)N1CCC12CC[NH+](C)CC2)CN1CCN(C)CC1 ZINC000893238403 586318444 /nfs/dbraw/zinc/31/84/44/586318444.db2.gz SUIYEOCDDUODSB-INIZCTEOSA-N 1 3 337.512 0.750 20 0 ECADHO CCC(CC)[NH2+]CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000893235849 586318840 /nfs/dbraw/zinc/31/88/40/586318840.db2.gz BCWLFNVIZLXVSP-OAHLLOKOSA-N 1 3 327.517 0.947 20 0 ECADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000897550885 586342848 /nfs/dbraw/zinc/34/28/48/586342848.db2.gz XRXOOFDEAKXVQI-CQSZACIVSA-N 1 3 345.447 0.329 20 0 ECADHO CCN(CCO)CCNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000897583039 586346867 /nfs/dbraw/zinc/34/68/67/586346867.db2.gz LPZSWCMOTMHTOJ-MSOLQXFVSA-N 1 3 348.491 0.945 20 0 ECADHO CCN(CCO)CCNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000897583039 586346869 /nfs/dbraw/zinc/34/68/69/586346869.db2.gz LPZSWCMOTMHTOJ-MSOLQXFVSA-N 1 3 348.491 0.945 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898588331 586433896 /nfs/dbraw/zinc/43/38/96/586433896.db2.gz FQOXNPXLISWKGP-UHFFFAOYSA-N 1 3 341.500 0.380 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898588331 586433898 /nfs/dbraw/zinc/43/38/98/586433898.db2.gz FQOXNPXLISWKGP-UHFFFAOYSA-N 1 3 341.500 0.380 20 0 ECADHO O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000898634502 586439370 /nfs/dbraw/zinc/43/93/70/586439370.db2.gz ZAKCGCBDRZCWCH-KRWDZBQOSA-N 1 3 336.480 0.136 20 0 ECADHO C[NH+]1CCC(CNC(=S)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000899666877 586494292 /nfs/dbraw/zinc/49/42/92/586494292.db2.gz NENQPVFBHUYOGT-CVEARBPZSA-N 1 3 340.537 0.734 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000901163220 586699750 /nfs/dbraw/zinc/69/97/50/586699750.db2.gz RWYRQROGUMXZAD-YQQAZPJKSA-N 1 3 349.479 0.768 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H]1CCCN1CCCO ZINC000840776886 586769049 /nfs/dbraw/zinc/76/90/49/586769049.db2.gz PFBRZCQNEWZDFJ-AWEZNQCLSA-N 1 3 330.542 0.885 20 0 ECADHO CCOC(=O)C1CCN(C(=O)CN(C)C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903454602 586776982 /nfs/dbraw/zinc/77/69/82/586776982.db2.gz FBCHOIHPUDEVLZ-HIFRSBDPSA-N 1 3 325.453 0.847 20 0 ECADHO C[C@@H]1CN(CCOCCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000903476878 586777567 /nfs/dbraw/zinc/77/75/67/586777567.db2.gz MSOBFPPNIYQFBY-ZIAGYGMSSA-N 1 3 331.416 0.826 20 0 ECADHO CC1(C)C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1N ZINC000903558786 586789361 /nfs/dbraw/zinc/78/93/61/586789361.db2.gz OYLOMKCVAWGGCL-AWEZNQCLSA-N 1 3 332.452 0.184 20 0 ECADHO CC1(C)C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1N ZINC000903558786 586789362 /nfs/dbraw/zinc/78/93/62/586789362.db2.gz OYLOMKCVAWGGCL-AWEZNQCLSA-N 1 3 332.452 0.184 20 0 ECADHO C[NH+]1CCC2(CCN(C(=O)C(=O)N3C[C@H](N)C(C)(C)C3)CC2)CC1 ZINC000903791249 586812787 /nfs/dbraw/zinc/81/27/87/586812787.db2.gz DFPJHSLFRHKXKR-AWEZNQCLSA-N 1 3 336.480 0.517 20 0 ECADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3C[C@@H](N)C(C)(C)C3)C2)CC1 ZINC000903759022 586812967 /nfs/dbraw/zinc/81/29/67/586812967.db2.gz MUYRHRHKEJPZOF-LSDHHAIUSA-N 1 3 336.480 0.372 20 0 ECADHO C[C@H](NC[C@H]1CC2(C[NH2+]C2)CO1)c1ccc(S(N)(=O)=O)cc1 ZINC000903790946 586813076 /nfs/dbraw/zinc/81/30/76/586813076.db2.gz JLPZMGKHMBHCFP-WCQYABFASA-N 1 3 325.434 0.363 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)N1CCN(c2ccncc2)CC1)C(C)C ZINC000903807094 586816870 /nfs/dbraw/zinc/81/68/70/586816870.db2.gz UREPTUUTGCNZNO-UHFFFAOYSA-N 1 3 333.436 0.187 20 0 ECADHO CN(C)CCOC1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903891960 586821271 /nfs/dbraw/zinc/82/12/71/586821271.db2.gz DXFNNRQWZGHTBK-OAHLLOKOSA-N 1 3 336.484 0.745 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000103211345 586825088 /nfs/dbraw/zinc/82/50/88/586825088.db2.gz BLGZLMBFZYFVGN-MRXNPFEDSA-N 1 3 333.432 0.720 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000903932031 586826806 /nfs/dbraw/zinc/82/68/06/586826806.db2.gz LJFNKVSFOABFNZ-DLBZAZTESA-N 1 3 348.495 0.889 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000905000052 586857504 /nfs/dbraw/zinc/85/75/04/586857504.db2.gz IQDMYXXBDRHWRS-RDTXWAMCSA-N 1 3 343.431 0.070 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnn(C)n1 ZINC000807568495 587132141 /nfs/dbraw/zinc/13/21/41/587132141.db2.gz XSKHJBQUTHEUOI-OAHLLOKOSA-N 1 3 337.472 0.373 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnn(C)n1 ZINC000807568495 587132143 /nfs/dbraw/zinc/13/21/43/587132143.db2.gz XSKHJBQUTHEUOI-OAHLLOKOSA-N 1 3 337.472 0.373 20 0 ECADHO O=C(C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000817957415 587393575 /nfs/dbraw/zinc/39/35/75/587393575.db2.gz MBYVJKGEVXKEFE-MAUKXSAKSA-N 1 3 334.464 0.428 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000817975522 587394101 /nfs/dbraw/zinc/39/41/01/587394101.db2.gz VZDPPKIAIFZOHZ-INIZCTEOSA-N 1 3 332.448 0.397 20 0 ECADHO O=C(NC1CCN(C[C@H]2CCCO2)CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000844171304 589098131 /nfs/dbraw/zinc/09/81/31/589098131.db2.gz ORGIDBKWYCMBIT-KGLIPLIRSA-N 1 3 331.407 0.991 20 0 ECADHO CCC(C)(C(=O)NC[C@H]1CCCN1C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000827136817 588101275 /nfs/dbraw/zinc/10/12/75/588101275.db2.gz RZAODSHSONTFHR-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CCC(C)(C(=O)NC[C@H]1CCCN1C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000827136817 588101277 /nfs/dbraw/zinc/10/12/77/588101277.db2.gz RZAODSHSONTFHR-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCN(CC)C1 ZINC000827319913 588112341 /nfs/dbraw/zinc/11/23/41/588112341.db2.gz HCARUTNINNHXLI-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCN(CC)C1 ZINC000828283805 588169825 /nfs/dbraw/zinc/16/98/25/588169825.db2.gz KMNJPRQUQFWNEL-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)N(C)C ZINC000845183967 589136088 /nfs/dbraw/zinc/13/60/88/589136088.db2.gz ALVCVYBNUNZPJF-OLZOCXBDSA-N 1 3 330.473 0.898 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCO1 ZINC000846226479 589192211 /nfs/dbraw/zinc/19/22/11/589192211.db2.gz ZBYAXFYJPPHFHC-QXSJWSMHSA-N 1 3 325.453 0.452 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000851682495 589412763 /nfs/dbraw/zinc/41/27/63/589412763.db2.gz UCVUKYOJJPDFSI-CRAIPNDOSA-N 1 3 334.464 0.873 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000851688875 589414745 /nfs/dbraw/zinc/41/47/45/589414745.db2.gz FBILSPWBRRZCPI-KXBFYZLASA-N 1 3 348.491 0.864 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000851688873 589414861 /nfs/dbraw/zinc/41/48/61/589414861.db2.gz FBILSPWBRRZCPI-DNVCBOLYSA-N 1 3 348.491 0.864 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000851691898 589415621 /nfs/dbraw/zinc/41/56/21/589415621.db2.gz SKMNZMFVMSQEFK-UHFFFAOYSA-N 1 3 344.459 0.575 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000852744301 589509913 /nfs/dbraw/zinc/50/99/13/589509913.db2.gz YDQQJQKCPAEKRF-KGLIPLIRSA-N 1 3 340.468 0.735 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000852748449 589510464 /nfs/dbraw/zinc/51/04/64/589510464.db2.gz VXVUHJCTLBPCBX-HUUCEWRRSA-N 1 3 340.468 0.736 20 0 ECADHO NC[C@H]1CC(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)=NO1 ZINC000852795857 589512502 /nfs/dbraw/zinc/51/25/02/589512502.db2.gz JXAMZFHUZZDZFV-VXGBXAGGSA-N 1 3 346.387 0.638 20 0 ECADHO CN(C)CCOc1ccccc1-c1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000854139298 589572672 /nfs/dbraw/zinc/57/26/72/589572672.db2.gz OTBGXCNXGPZQGE-UHFFFAOYSA-N 1 3 343.391 0.894 20 0 ECADHO CC1(C)CCNCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000866700017 589759331 /nfs/dbraw/zinc/75/93/31/589759331.db2.gz YWDPOPLHEQAPNW-UHFFFAOYSA-N 1 3 346.479 0.589 20 0 ECADHO CC1(C)CCNCC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000866700017 589759332 /nfs/dbraw/zinc/75/93/32/589759332.db2.gz YWDPOPLHEQAPNW-UHFFFAOYSA-N 1 3 346.479 0.589 20 0 ECADHO CCOC(=O)CCCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712808 589762199 /nfs/dbraw/zinc/76/21/99/589762199.db2.gz XTKAQLIJGHUANS-MCIONIFRSA-N 1 3 325.409 0.587 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1NCCc2ccccc21 ZINC000866764215 589771282 /nfs/dbraw/zinc/77/12/82/589771282.db2.gz LOTURVXQZUMZHC-MRXNPFEDSA-N 1 3 338.477 0.392 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@@H](CC[N@@H+]3C)C1)CC2 ZINC000867514779 589797057 /nfs/dbraw/zinc/79/70/57/589797057.db2.gz FHBOCJYLFARYTC-XUWVNRHRSA-N 1 3 334.464 0.234 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@@H](CC[N@H+]3C)C1)CC2 ZINC000867514779 589797059 /nfs/dbraw/zinc/79/70/59/589797059.db2.gz FHBOCJYLFARYTC-XUWVNRHRSA-N 1 3 334.464 0.234 20 0 ECADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867742939 589834084 /nfs/dbraw/zinc/83/40/84/589834084.db2.gz BOHUTCBYZTYVNE-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000868309764 589891115 /nfs/dbraw/zinc/89/11/15/589891115.db2.gz MFYOWYDSUMKURU-CJNGLKHVSA-N 1 3 328.416 0.781 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000868309764 589891117 /nfs/dbraw/zinc/89/11/17/589891117.db2.gz MFYOWYDSUMKURU-CJNGLKHVSA-N 1 3 328.416 0.781 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000861785679 589892318 /nfs/dbraw/zinc/89/23/18/589892318.db2.gz WSMLZYYUTHLXBS-AWEZNQCLSA-N 1 3 347.463 0.215 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000868368418 589897219 /nfs/dbraw/zinc/89/72/19/589897219.db2.gz KELJQTMVQXPWGR-RDTXWAMCSA-N 1 3 338.496 0.763 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)C2)C1 ZINC000868417351 589904562 /nfs/dbraw/zinc/90/45/62/589904562.db2.gz DTDWXNAXAZBFSJ-DAYGRLMNSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000863752357 590034012 /nfs/dbraw/zinc/03/40/12/590034012.db2.gz RROLDXLLZOILBO-CYBMUJFWSA-N 1 3 338.427 0.522 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000863754419 590034596 /nfs/dbraw/zinc/03/45/96/590034596.db2.gz RWIGHXRRTWWZRE-INIZCTEOSA-N 1 3 348.491 0.815 20 0 ECADHO NCc1cn([C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)nn1 ZINC000872144867 590097661 /nfs/dbraw/zinc/09/76/61/590097661.db2.gz KRVSUVOCVLPCAM-HOTGVXAUSA-N 1 3 335.452 0.959 20 0 ECADHO NCc1cn([C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)nn1 ZINC000872144867 590097663 /nfs/dbraw/zinc/09/76/63/590097663.db2.gz KRVSUVOCVLPCAM-HOTGVXAUSA-N 1 3 335.452 0.959 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872187998 590100736 /nfs/dbraw/zinc/10/07/36/590100736.db2.gz NYDMWLVGLINJKV-KBXCAEBGSA-N 1 3 336.480 0.387 20 0 ECADHO CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000872195522 590102660 /nfs/dbraw/zinc/10/26/60/590102660.db2.gz PMHSKOAZOZTZSR-GOSISDBHSA-N 1 3 338.496 0.908 20 0 ECADHO CN1CCN(C[C@H](O)C[NH2+]C[C@H]2CCN2C2CCCCCC2)CC1 ZINC000872236869 590107749 /nfs/dbraw/zinc/10/77/49/590107749.db2.gz UWXGLSSOFUATSG-RTBURBONSA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000872236869 590107750 /nfs/dbraw/zinc/10/77/50/590107750.db2.gz UWXGLSSOFUATSG-RTBURBONSA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000872236869 590107753 /nfs/dbraw/zinc/10/77/53/590107753.db2.gz UWXGLSSOFUATSG-RTBURBONSA-N 1 3 338.540 0.981 20 0 ECADHO CN(C)CC[NH+]1CCC(NCc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865411127 590143851 /nfs/dbraw/zinc/14/38/51/590143851.db2.gz BNWTWEZACJCNJF-KRWDZBQOSA-N 1 3 336.484 0.573 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCC1(C)C ZINC000875089167 590269751 /nfs/dbraw/zinc/26/97/51/590269751.db2.gz VRTZRJIZXWTQKU-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCC1(C)C ZINC000875089167 590269753 /nfs/dbraw/zinc/26/97/53/590269753.db2.gz VRTZRJIZXWTQKU-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)[NH+]1CCCCC1 ZINC000875106308 590271541 /nfs/dbraw/zinc/27/15/41/590271541.db2.gz DODSPZUQVQTNEW-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875168748 590277888 /nfs/dbraw/zinc/27/78/88/590277888.db2.gz AHFUZSIESIVQSW-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875168748 590277889 /nfs/dbraw/zinc/27/78/89/590277889.db2.gz AHFUZSIESIVQSW-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO COCC[N@H+](C)C[C@H](O)CN1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879522951 590317430 /nfs/dbraw/zinc/31/74/30/590317430.db2.gz PVTNFXWYFOJTOC-FUHWJXTLSA-N 1 3 337.464 0.581 20 0 ECADHO COCC[N@@H+](C)C[C@H](O)CN1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879522951 590317431 /nfs/dbraw/zinc/31/74/31/590317431.db2.gz PVTNFXWYFOJTOC-FUHWJXTLSA-N 1 3 337.464 0.581 20 0 ECADHO CN1CC[NH+](C2CCN(C[C@@H](O)C[C@@](C)(O)C3CC3)CC2)CC1 ZINC000879594194 590327201 /nfs/dbraw/zinc/32/72/01/590327201.db2.gz AQZIRXMEMKEFHM-ZWKOTPCHSA-N 1 3 325.497 0.610 20 0 ECADHO CN(C)CCn1nccc1NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000879673386 590332856 /nfs/dbraw/zinc/33/28/56/590332856.db2.gz IWQRBJGRXNQRBP-ZDUSSCGKSA-N 1 3 338.456 0.411 20 0 ECADHO CN(C)CCn1nccc1NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000879673386 590332859 /nfs/dbraw/zinc/33/28/59/590332859.db2.gz IWQRBJGRXNQRBP-ZDUSSCGKSA-N 1 3 338.456 0.411 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1c(C)cnn1[C@@H]1CCC[NH2+]C1 ZINC000876751850 590409129 /nfs/dbraw/zinc/40/91/29/590409129.db2.gz ZFEHMCNHWXXINW-HZPDHXFCSA-N 1 3 349.479 0.957 20 0 ECADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000876768317 590412603 /nfs/dbraw/zinc/41/26/03/590412603.db2.gz HMTBASDSNGUOFA-OAZXXZECSA-N 1 3 336.480 0.065 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876879512 590421764 /nfs/dbraw/zinc/42/17/64/590421764.db2.gz BIBYGWJKPWEXOZ-YVACAVLKSA-N 1 3 337.464 0.934 20 0 ECADHO [NH3+]C[C@@H]1[C@H](C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1(F)F ZINC000876962062 590430293 /nfs/dbraw/zinc/43/02/93/590430293.db2.gz ZWCOTYDMRLNHEB-RBSFLKMASA-N 1 3 339.386 0.709 20 0 ECADHO CN(C)CCn1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cn1 ZINC000877355944 590460457 /nfs/dbraw/zinc/46/04/57/590460457.db2.gz PLLKGHAJITWRNV-ZYHUDNBSSA-N 1 3 333.358 0.654 20 0 ECADHO C[NH+](C)CC1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC1 ZINC000881624491 590461503 /nfs/dbraw/zinc/46/15/03/590461503.db2.gz SWFDFDOSMISDTO-UHFFFAOYSA-N 1 3 336.480 0.661 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1=O ZINC000877375508 590461882 /nfs/dbraw/zinc/46/18/82/590461882.db2.gz TUHNXVVYIUWWQY-PASDCYSWSA-N 1 3 348.491 0.387 20 0 ECADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000877450780 590466149 /nfs/dbraw/zinc/46/61/49/590466149.db2.gz DZQCQUZLMQMHCU-NUEKZKHPSA-N 1 3 332.452 0.901 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH2+]C(C)(C)C ZINC000878917259 590551379 /nfs/dbraw/zinc/55/13/79/590551379.db2.gz FSADLLDDQPVFID-LBPRGKRZSA-N 1 3 330.473 0.946 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883607587 590630004 /nfs/dbraw/zinc/63/00/04/590630004.db2.gz ADODXGBGAFBQOS-CJNGLKHVSA-N 1 3 345.447 0.373 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883607587 590630008 /nfs/dbraw/zinc/63/00/08/590630008.db2.gz ADODXGBGAFBQOS-CJNGLKHVSA-N 1 3 345.447 0.373 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883638976 590637730 /nfs/dbraw/zinc/63/77/30/590637730.db2.gz BPFBEVAJAHBHAK-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884966141 590656131 /nfs/dbraw/zinc/65/61/31/590656131.db2.gz DJSJATGPJCUZKF-UONOGXRCSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966432 590656865 /nfs/dbraw/zinc/65/68/65/590656865.db2.gz KTNOTRALAFULID-KFWWJZLASA-N 1 3 338.496 0.679 20 0 ECADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884237329 590786808 /nfs/dbraw/zinc/78/68/08/590786808.db2.gz ZLOZLIMEQVXUBO-MQVJKMGUSA-N 1 3 329.448 0.976 20 0 ECADHO OC[C@H]1CN(CC[NH+]2CCCCC2)CCN1CCN1CCCCC1 ZINC000886371011 590835040 /nfs/dbraw/zinc/83/50/40/590835040.db2.gz CECZVOWTTKAUAU-LJQANCHMSA-N 1 3 338.540 0.937 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000884486204 590840846 /nfs/dbraw/zinc/84/08/46/590840846.db2.gz QMLWIXMQLZXZAT-HIFRSBDPSA-N 1 3 348.447 0.191 20 0 ECADHO COC(=O)[C@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000886624848 590866491 /nfs/dbraw/zinc/86/64/91/590866491.db2.gz BGVVLIIBDDMIOB-HOTGVXAUSA-N 1 3 339.480 0.714 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884664400 590885654 /nfs/dbraw/zinc/88/56/54/590885654.db2.gz KWDZALHTMVXGCK-ILXRZTDVSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C(=O)NCCC[NH3+] ZINC000884673045 590888549 /nfs/dbraw/zinc/88/85/49/590888549.db2.gz KZCVUUBGVDXGSL-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884705713 590902530 /nfs/dbraw/zinc/90/25/30/590902530.db2.gz FIWOPQURDXNXAQ-STQMWFEESA-N 1 3 340.468 0.158 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884705713 590902533 /nfs/dbraw/zinc/90/25/33/590902533.db2.gz FIWOPQURDXNXAQ-STQMWFEESA-N 1 3 340.468 0.158 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884705713 590902535 /nfs/dbraw/zinc/90/25/35/590902535.db2.gz FIWOPQURDXNXAQ-STQMWFEESA-N 1 3 340.468 0.158 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1(C)C ZINC000884726189 590911844 /nfs/dbraw/zinc/91/18/44/590911844.db2.gz KPFOZNOBYILAIA-RBSFLKMASA-N 1 3 336.480 0.433 20 0 ECADHO C[NH+]1CCC(OCC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000889744311 591076740 /nfs/dbraw/zinc/07/67/40/591076740.db2.gz VBLPWFYSCBTNBA-HOTGVXAUSA-N 1 3 325.453 0.155 20 0 ECADHO CCN1CC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000890065830 591123726 /nfs/dbraw/zinc/12/37/26/591123726.db2.gz NPHLTEXOLXYGTI-DLBZAZTESA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000890065830 591123729 /nfs/dbraw/zinc/12/37/29/591123729.db2.gz NPHLTEXOLXYGTI-DLBZAZTESA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CC[C@H]1CNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000890065830 591123734 /nfs/dbraw/zinc/12/37/34/591123734.db2.gz NPHLTEXOLXYGTI-DLBZAZTESA-N 1 3 337.512 0.891 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1)N(C)C ZINC000946642714 611383712 /nfs/dbraw/zinc/38/37/12/611383712.db2.gz QDSNLQDRVUZLJW-QXSJWSMHSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2CC1)N(C)C ZINC000946642714 611383708 /nfs/dbraw/zinc/38/37/08/611383708.db2.gz QDSNLQDRVUZLJW-QXSJWSMHSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC000907716845 609616594 /nfs/dbraw/zinc/61/65/94/609616594.db2.gz MIWLOBSKVOPHRU-ZIAGYGMSSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000907716845 609616597 /nfs/dbraw/zinc/61/65/97/609616597.db2.gz MIWLOBSKVOPHRU-ZIAGYGMSSA-N 1 3 338.496 0.964 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(CC2([NH+](C)C)Cc3ccccc3C2)C1=O ZINC000924682635 611423229 /nfs/dbraw/zinc/42/32/29/611423229.db2.gz CIYBKGYDJSROIZ-HNNXBMFYSA-N 1 3 330.432 0.568 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(Cc2ccnc(OCC[NH+](C)C)c2)C1=O ZINC000924754348 611427793 /nfs/dbraw/zinc/42/77/93/611427793.db2.gz UYLJDBVITMETQX-CYBMUJFWSA-N 1 3 335.408 0.004 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000930490983 611434671 /nfs/dbraw/zinc/43/46/71/611434671.db2.gz JUTFWAALHVBELT-ZFWWWQNUSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779233 611472305 /nfs/dbraw/zinc/47/23/05/611472305.db2.gz KRIWUCGLWLUDJG-QXSJWSMHSA-N 1 3 336.480 0.372 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779233 611472307 /nfs/dbraw/zinc/47/23/07/611472307.db2.gz KRIWUCGLWLUDJG-QXSJWSMHSA-N 1 3 336.480 0.372 20 0 ECADHO CC[C@H](C(=O)N1CCC(NC(=O)C2CC[NH+](C)CC2)CC1)N(C)C ZINC000947251156 611471949 /nfs/dbraw/zinc/47/19/49/611471949.db2.gz BHPSFBACHGFELA-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)CC1 ZINC000930918282 611483080 /nfs/dbraw/zinc/48/30/80/611483080.db2.gz NUFJKYOXUAVBLR-YCPHGPKFSA-N 1 3 338.496 0.950 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)CC1 ZINC000930918281 611483196 /nfs/dbraw/zinc/48/31/96/611483196.db2.gz NUFJKYOXUAVBLR-IJEWVQPXSA-N 1 3 338.496 0.950 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2CC1 ZINC000946798042 611487118 /nfs/dbraw/zinc/48/71/18/611487118.db2.gz OWHNPIKVOJPGJX-GUTXKFCHSA-N 1 3 331.420 0.011 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1 ZINC000946798042 611487121 /nfs/dbraw/zinc/48/71/21/611487121.db2.gz OWHNPIKVOJPGJX-GUTXKFCHSA-N 1 3 331.420 0.011 20 0 ECADHO COC(=O)CCNC(=O)CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925717490 611495850 /nfs/dbraw/zinc/49/58/50/611495850.db2.gz KKWAJXLHWLFKJY-CABCVRRESA-N 1 3 325.453 0.814 20 0 ECADHO CCO[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)C[NH+](C)C ZINC000926846186 611572210 /nfs/dbraw/zinc/57/22/10/611572210.db2.gz OLTPYRHECJJEEZ-LSDHHAIUSA-N 1 3 330.473 0.099 20 0 ECADHO CCO[C@@H](CNC(=O)C(=O)N(C)CCN1CCCCC1)C[NH+](C)C ZINC000932469251 611631663 /nfs/dbraw/zinc/63/16/63/611631663.db2.gz NWJVDSQEMDOGNP-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO COCC[NH+]1CCC2(CC1)CN(C(=O)CN1CC[C@@H](C)C1)CCO2 ZINC000949189044 608660438 /nfs/dbraw/zinc/66/04/38/608660438.db2.gz FFPTVMUPTIUUGA-MRXNPFEDSA-N 1 3 339.480 0.668 20 0 ECADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000932714927 611658391 /nfs/dbraw/zinc/65/83/91/611658391.db2.gz WOOYPEYJJOZPQR-HNNXBMFYSA-N 1 3 326.485 0.097 20 0 ECADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000925765123 608889068 /nfs/dbraw/zinc/88/90/68/608889068.db2.gz JLSHRIQRMCHCMC-AVGNSLFASA-N 1 3 333.498 0.579 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000936336970 609081356 /nfs/dbraw/zinc/08/13/56/609081356.db2.gz MLRMOHMZHQQXGC-CQSZACIVSA-N 1 3 345.447 0.545 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000938195506 609521855 /nfs/dbraw/zinc/52/18/55/609521855.db2.gz IMAXXNHFZZSBTD-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CC[C@H]1CNC(=O)c1ccccc1CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928561043 611701274 /nfs/dbraw/zinc/70/12/74/611701274.db2.gz XXEHIMKBWKWTHW-HOTGVXAUSA-N 1 3 344.459 0.483 20 0 ECADHO CN1CC[C@H]1CNC(=O)c1ccccc1CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928561043 611701276 /nfs/dbraw/zinc/70/12/76/611701276.db2.gz XXEHIMKBWKWTHW-HOTGVXAUSA-N 1 3 344.459 0.483 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000910715134 609755224 /nfs/dbraw/zinc/75/52/24/609755224.db2.gz HKICGFFWHBIGLY-OAHLLOKOSA-N 1 3 340.512 0.974 20 0 ECADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000910831688 609768132 /nfs/dbraw/zinc/76/81/32/609768132.db2.gz YLFXXWFGEDUXRX-AWEZNQCLSA-N 1 3 345.447 0.139 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911027590 609791900 /nfs/dbraw/zinc/79/19/00/609791900.db2.gz FBQUUOOOMULYMQ-BZUAXINKSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@@H+]1C ZINC000911007440 609793439 /nfs/dbraw/zinc/79/34/39/609793439.db2.gz JTDBFIHHIXIHKT-WXYCVUISSA-N 1 3 330.432 0.326 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@H+]1C ZINC000911007440 609793442 /nfs/dbraw/zinc/79/34/42/609793442.db2.gz JTDBFIHHIXIHKT-WXYCVUISSA-N 1 3 330.432 0.326 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000911006570 609793641 /nfs/dbraw/zinc/79/36/41/609793641.db2.gz FWXNIBHJMCZZJP-BPUTZDHNSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)C1=CCN(C)CC1 ZINC000911218886 609828282 /nfs/dbraw/zinc/82/82/82/609828282.db2.gz MAWNYKHCSBNRSG-JCKWVBRZSA-N 1 3 334.464 0.401 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000911284305 609846330 /nfs/dbraw/zinc/84/63/30/609846330.db2.gz NOIRGYSULGCIER-HNNXBMFYSA-N 1 3 334.464 0.849 20 0 ECADHO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000911324502 609847898 /nfs/dbraw/zinc/84/78/98/609847898.db2.gz DPHWRHAXXZRJKF-ARFHVFGLSA-N 1 3 336.480 0.768 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000914177113 609862771 /nfs/dbraw/zinc/86/27/71/609862771.db2.gz ZIOOKXSUUNWDHK-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000914177113 609862773 /nfs/dbraw/zinc/86/27/73/609862773.db2.gz ZIOOKXSUUNWDHK-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)CCC1 ZINC000938681130 609935971 /nfs/dbraw/zinc/93/59/71/609935971.db2.gz FSZBDYZPYHVESA-OAHLLOKOSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC000912304306 609945600 /nfs/dbraw/zinc/94/56/00/609945600.db2.gz ONISWZUUHPYBCM-WMLDXEAASA-N 1 3 347.463 0.963 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC000912304306 609945603 /nfs/dbraw/zinc/94/56/03/609945603.db2.gz ONISWZUUHPYBCM-WMLDXEAASA-N 1 3 347.463 0.963 20 0 ECADHO O=C(c1ccn2c[nH+]cc2c1)N1CCN(C2CN(CCCO)C2)CC1 ZINC000941475689 610331973 /nfs/dbraw/zinc/33/19/73/610331973.db2.gz VEQSAMYUHLMABO-UHFFFAOYSA-N 1 3 343.431 0.159 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941566966 610386895 /nfs/dbraw/zinc/38/68/95/610386895.db2.gz NAGJRXCYXASIML-INIZCTEOSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941566966 610386898 /nfs/dbraw/zinc/38/68/98/610386898.db2.gz NAGJRXCYXASIML-INIZCTEOSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941566979 610387132 /nfs/dbraw/zinc/38/71/32/610387132.db2.gz NMMWBTDRBRGOMU-MAUKXSAKSA-N 1 3 334.508 0.813 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941566979 610387134 /nfs/dbraw/zinc/38/71/34/610387134.db2.gz NMMWBTDRBRGOMU-MAUKXSAKSA-N 1 3 334.508 0.813 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000945550058 611074575 /nfs/dbraw/zinc/07/45/75/611074575.db2.gz OMKXXPFECYPLGO-DZGCQCFKSA-N 1 3 345.447 0.401 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000923005300 611192190 /nfs/dbraw/zinc/19/21/90/611192190.db2.gz RFGATVUUKSDOHJ-AWEZNQCLSA-N 1 3 337.468 0.029 20 0 ECADHO CC(C)c1ccc(CN2CCN(C(=O)CNC(CN)C[NH3+])CC2)cc1 ZINC000923351013 611232874 /nfs/dbraw/zinc/23/28/74/611232874.db2.gz DZYPKCPPFJXNHG-UHFFFAOYSA-N 1 3 347.507 0.330 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923498872 611251788 /nfs/dbraw/zinc/25/17/88/611251788.db2.gz QNGQQTOYWRWUIV-GVDBMIGSSA-N 1 3 340.512 0.376 20 0 ECADHO C[C@H]1CN(CC(=O)NCCCN2CCCCCC2=O)CC[C@H]1C[NH3+] ZINC000923497140 611252241 /nfs/dbraw/zinc/25/22/41/611252241.db2.gz FPLJFQGUIMBISF-HOTGVXAUSA-N 1 3 338.496 0.812 20 0 ECADHO COC(=O)[C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]([C@@H]2CCCO2)C1 ZINC000923550982 611260843 /nfs/dbraw/zinc/26/08/43/611260843.db2.gz IQFGOZHMKPJPAT-UGUYLWEFSA-N 1 3 338.448 0.798 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000949959500 611828959 /nfs/dbraw/zinc/82/89/59/611828959.db2.gz IIYINPMTKYKWSM-BMFZPTHFSA-N 1 3 348.491 0.386 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000950460026 612028675 /nfs/dbraw/zinc/02/86/75/612028675.db2.gz DLKAFIBQKFCFLH-HOCLYGCPSA-N 1 3 347.463 0.647 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000950460026 612028676 /nfs/dbraw/zinc/02/86/76/612028676.db2.gz DLKAFIBQKFCFLH-HOCLYGCPSA-N 1 3 347.463 0.647 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000951238968 612097243 /nfs/dbraw/zinc/09/72/43/612097243.db2.gz QVJFGYQQAZRKMW-INIZCTEOSA-N 1 3 348.491 0.531 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954495908 612329087 /nfs/dbraw/zinc/32/90/87/612329087.db2.gz MZYVUZTXLDWDAH-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954495908 612329090 /nfs/dbraw/zinc/32/90/90/612329090.db2.gz MZYVUZTXLDWDAH-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000953906610 612426056 /nfs/dbraw/zinc/42/60/56/612426056.db2.gz HXORXKUQTBCBCE-XHSDSOJGSA-N 1 3 336.480 0.480 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC000953906610 612426061 /nfs/dbraw/zinc/42/60/61/612426061.db2.gz HXORXKUQTBCBCE-XHSDSOJGSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000954707902 612577097 /nfs/dbraw/zinc/57/70/97/612577097.db2.gz JVFMXBSDDFDRBV-XJKSGUPXSA-N 1 3 347.463 0.599 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000954707902 612577102 /nfs/dbraw/zinc/57/71/02/612577102.db2.gz JVFMXBSDDFDRBV-XJKSGUPXSA-N 1 3 347.463 0.599 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC000954824729 612717164 /nfs/dbraw/zinc/71/71/64/612717164.db2.gz NTRLVWCUHCIVIW-OAHLLOKOSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000955012018 612853703 /nfs/dbraw/zinc/85/37/03/612853703.db2.gz ZUYTVMUTKMOYLA-CYBMUJFWSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000955012018 612853704 /nfs/dbraw/zinc/85/37/04/612853704.db2.gz ZUYTVMUTKMOYLA-CYBMUJFWSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000954326465 612857798 /nfs/dbraw/zinc/85/77/98/612857798.db2.gz SPLKKVWIWZXJHC-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000954326465 612857800 /nfs/dbraw/zinc/85/78/00/612857800.db2.gz SPLKKVWIWZXJHC-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954407590 612895371 /nfs/dbraw/zinc/89/53/71/612895371.db2.gz IJFDDZWOPXPJBT-IIAWOOMASA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954407590 612895373 /nfs/dbraw/zinc/89/53/73/612895373.db2.gz IJFDDZWOPXPJBT-IIAWOOMASA-N 1 3 336.480 0.480 20 0 ECADHO [NH3+]Cc1cc(N2CCc3ncc(CN4CCCC4)n3CC2)ncn1 ZINC001164733298 720557480 /nfs/dbraw/zinc/55/74/80/720557480.db2.gz KRVOMJVNALNOMY-UHFFFAOYSA-N 1 3 327.436 0.790 20 0 ECADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001024985426 738463068 /nfs/dbraw/zinc/46/30/68/738463068.db2.gz QNPCRSCHLKPRCF-GJZGRUSLSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000969197417 731583428 /nfs/dbraw/zinc/58/34/28/731583428.db2.gz HJFMXRCUMDGUMF-HUUCEWRRSA-N 1 3 334.464 0.426 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000969403227 731807463 /nfs/dbraw/zinc/80/74/63/731807463.db2.gz CZVDIQCBFZNCRJ-VZDIDWBNSA-N 1 3 349.475 0.467 20 0 ECADHO Cn1cc(CN[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)cn1 ZINC000969457197 731903011 /nfs/dbraw/zinc/90/30/11/731903011.db2.gz CLKWMGMPXGIPFN-IAGOWNOFSA-N 1 3 331.464 0.985 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(CCc2ccnn2C)C1 ZINC000969676881 732041845 /nfs/dbraw/zinc/04/18/45/732041845.db2.gz JHPPWVMBKITTTG-RDTXWAMCSA-N 1 3 345.491 0.741 20 0 ECADHO COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H](C2CC2)N(C)C)CCCCC1 ZINC001115573692 732053884 /nfs/dbraw/zinc/05/38/84/732053884.db2.gz UDTOKJPEFYXERU-JKSUJKDBSA-N 1 3 341.496 0.743 20 0 ECADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001167224128 733067658 /nfs/dbraw/zinc/06/76/58/733067658.db2.gz DZCLTJVTQHOWLY-AWEZNQCLSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]Cc3cnnn3C)CC2)C1 ZINC001167232676 733077184 /nfs/dbraw/zinc/07/71/84/733077184.db2.gz MCLRGUBRAGESKT-AWEZNQCLSA-N 1 3 334.468 0.533 20 0 ECADHO CNC(=O)C[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240753 733087017 /nfs/dbraw/zinc/08/70/17/733087017.db2.gz RMFNSJNNOBEGQX-UHFFFAOYSA-N 1 3 326.485 0.586 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]C[C@@H]2CCc3ncnn32)CC1)N(C)C ZINC001167260700 733104999 /nfs/dbraw/zinc/10/49/99/733104999.db2.gz FMADDQOAMWHSOE-GJZGRUSLSA-N 1 3 348.495 0.982 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](NCc3cccnc3)C2)cn1 ZINC000970231766 733246908 /nfs/dbraw/zinc/24/69/08/733246908.db2.gz YPGGRVQLXYIOOC-QGZVFWFLSA-N 1 3 342.447 0.844 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC000970482596 733601104 /nfs/dbraw/zinc/60/11/04/733601104.db2.gz WUFNYEXHRCYZRF-ZIAGYGMSSA-N 1 3 349.431 0.681 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000970482596 733601106 /nfs/dbraw/zinc/60/11/06/733601106.db2.gz WUFNYEXHRCYZRF-ZIAGYGMSSA-N 1 3 349.431 0.681 20 0 ECADHO COC[C@H](C)N1CC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970558452 733673525 /nfs/dbraw/zinc/67/35/25/733673525.db2.gz CZVHNTKVIBTPLD-UONOGXRCSA-N 1 3 337.468 0.530 20 0 ECADHO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C1CN(CCCF)C1 ZINC000970557527 733673599 /nfs/dbraw/zinc/67/35/99/733673599.db2.gz MNHWSNSGISOSRR-CYBMUJFWSA-N 1 3 325.432 0.854 20 0 ECADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC000970786295 733938795 /nfs/dbraw/zinc/93/87/95/733938795.db2.gz TUHNPGROUJTJDE-CVEARBPZSA-N 1 3 332.448 0.816 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)c1 ZINC000970786321 733938879 /nfs/dbraw/zinc/93/88/79/733938879.db2.gz UQJKCPUAUVQLNF-SJORKVTESA-N 1 3 344.459 0.831 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001211286795 734250632 /nfs/dbraw/zinc/25/06/32/734250632.db2.gz XDEWMTWXAXGUKG-HZPDHXFCSA-N 1 3 338.496 0.917 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001067478044 734314354 /nfs/dbraw/zinc/31/43/54/734314354.db2.gz SHBJEONMTQXNCH-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001067478092 734316400 /nfs/dbraw/zinc/31/64/00/734316400.db2.gz UIHPSVYGSTUXEZ-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1)N(C)C ZINC001104348588 734516354 /nfs/dbraw/zinc/51/63/54/734516354.db2.gz JRSIBZCVENFREJ-BZUAXINKSA-N 1 3 336.484 0.693 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078174430 782429410 /nfs/dbraw/zinc/42/94/10/782429410.db2.gz KYVYDVNNPHHIIX-GVDBMIGSSA-N 1 3 339.480 0.306 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078174430 782429417 /nfs/dbraw/zinc/42/94/17/782429417.db2.gz KYVYDVNNPHHIIX-GVDBMIGSSA-N 1 3 339.480 0.306 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)CC[N@@H+]1C ZINC000971566617 734754309 /nfs/dbraw/zinc/75/43/09/734754309.db2.gz HUWFUZIZUYMVKD-HRCADAONSA-N 1 3 334.468 0.541 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)CC[N@H+]1C ZINC000971566617 734754312 /nfs/dbraw/zinc/75/43/12/734754312.db2.gz HUWFUZIZUYMVKD-HRCADAONSA-N 1 3 334.468 0.541 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001167480899 734826256 /nfs/dbraw/zinc/82/62/56/734826256.db2.gz WKARFNKYXQUACV-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)C[C@H]3CCc4ncnn43)C2)CCC1 ZINC000971674532 734935118 /nfs/dbraw/zinc/93/51/18/734935118.db2.gz UWGFJVGAWBXACS-HUUCEWRRSA-N 1 3 346.479 0.782 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)C[C@H]3CCc4ncnn43)C2)CCC1 ZINC000971674532 734935125 /nfs/dbraw/zinc/93/51/25/734935125.db2.gz UWGFJVGAWBXACS-HUUCEWRRSA-N 1 3 346.479 0.782 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971716043 734981714 /nfs/dbraw/zinc/98/17/14/734981714.db2.gz LDPKTFUDSDXYSN-HOTGVXAUSA-N 1 3 334.468 0.685 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971716043 734981717 /nfs/dbraw/zinc/98/17/17/734981717.db2.gz LDPKTFUDSDXYSN-HOTGVXAUSA-N 1 3 334.468 0.685 20 0 ECADHO C[N@H+](CCn1cncn1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339881 735967630 /nfs/dbraw/zinc/96/76/30/735967630.db2.gz PHAULUBYWPDHAP-HNNXBMFYSA-N 1 3 334.468 0.543 20 0 ECADHO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339881 735967636 /nfs/dbraw/zinc/96/76/36/735967636.db2.gz PHAULUBYWPDHAP-HNNXBMFYSA-N 1 3 334.468 0.543 20 0 ECADHO O=C(N1CCO[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249790 736033951 /nfs/dbraw/zinc/03/39/51/736033951.db2.gz WUYSZZKSJRFWOJ-HRCADAONSA-N 1 3 335.448 0.030 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCn2cncn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001023371569 736751264 /nfs/dbraw/zinc/75/12/64/736751264.db2.gz BRNLVPSIWHYDOO-DOTOQJQBSA-N 1 3 346.479 0.448 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(CCn3cncn3)C2)CC[N@@H+]1C ZINC001023381043 736758184 /nfs/dbraw/zinc/75/81/84/736758184.db2.gz LAQQUHDOAYYHDH-YESZJQIVSA-N 1 3 348.495 0.837 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(CCn3cncn3)C2)CC[N@H+]1C ZINC001023381043 736758186 /nfs/dbraw/zinc/75/81/86/736758186.db2.gz LAQQUHDOAYYHDH-YESZJQIVSA-N 1 3 348.495 0.837 20 0 ECADHO O=C(NC[C@H]1CCCN(CCN2CCCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703190 737213472 /nfs/dbraw/zinc/21/34/72/737213472.db2.gz CJXDDPRZAYNIEW-MRXNPFEDSA-N 1 3 348.491 0.533 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023704036 737220498 /nfs/dbraw/zinc/22/04/98/737220498.db2.gz YYCMUDWLJRTZMC-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]Cc3cnnn3C)C2)CCC1 ZINC001024016256 737618622 /nfs/dbraw/zinc/61/86/22/737618622.db2.gz CAAWZHJCLHCXQQ-CQSZACIVSA-N 1 3 334.468 0.628 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001024052659 737657274 /nfs/dbraw/zinc/65/72/74/737657274.db2.gz YTVLVCOXIKAWDN-OAHLLOKOSA-N 1 3 346.479 0.772 20 0 ECADHO Cn1ccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O ZINC001024796921 738304918 /nfs/dbraw/zinc/30/49/18/738304918.db2.gz IWMBZYOGFFHNDZ-IAGOWNOFSA-N 1 3 346.475 0.808 20 0 ECADHO Cn1ccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001024796921 738304925 /nfs/dbraw/zinc/30/49/25/738304925.db2.gz IWMBZYOGFFHNDZ-IAGOWNOFSA-N 1 3 346.475 0.808 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@H](O)CC(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000307945147 739410577 /nfs/dbraw/zinc/41/05/77/739410577.db2.gz XYZBLVLQKLYFRC-YNEHKIRRSA-N 1 3 337.386 0.880 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@@H](O)CC(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000307945145 739410772 /nfs/dbraw/zinc/41/07/72/739410772.db2.gz XYZBLVLQKLYFRC-RWMBFGLXSA-N 1 3 337.386 0.880 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCOCCO ZINC001104676759 739457984 /nfs/dbraw/zinc/45/79/84/739457984.db2.gz WXRZDXXFUWOAPQ-IXDOHACOSA-N 1 3 341.496 0.554 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCN2C(C)C)C1=O ZINC001025778806 739936686 /nfs/dbraw/zinc/93/66/86/739936686.db2.gz DBEYBHSMJIXUIT-DMRKSPOLSA-N 1 3 348.491 0.526 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCN2C(C)C)C1=O ZINC001025778806 739936688 /nfs/dbraw/zinc/93/66/88/739936688.db2.gz DBEYBHSMJIXUIT-DMRKSPOLSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001025850688 740020723 /nfs/dbraw/zinc/02/07/23/740020723.db2.gz ABXPZAQSVCRLMN-ZVDSWSACSA-N 1 3 334.464 0.042 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001025850688 740020726 /nfs/dbraw/zinc/02/07/26/740020726.db2.gz ABXPZAQSVCRLMN-ZVDSWSACSA-N 1 3 334.464 0.042 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC2(CC[NH+](CCO)CC2)O1 ZINC001098606471 740397658 /nfs/dbraw/zinc/39/76/58/740397658.db2.gz RKBQNGJZRYWXAF-OAHLLOKOSA-N 1 3 339.480 0.545 20 0 ECADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(N)=O ZINC001104832431 740633914 /nfs/dbraw/zinc/63/39/14/740633914.db2.gz ANVXDDBVSFCLIX-BZUAXINKSA-N 1 3 338.496 0.666 20 0 ECADHO O=C(C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21)N1CCCC1 ZINC001026365671 741063859 /nfs/dbraw/zinc/06/38/59/741063859.db2.gz ZTVZZKJWOVZRAA-CWRNSKLLSA-N 1 3 345.447 0.401 20 0 ECADHO Cn1cnnc1CN[C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001026400456 741235413 /nfs/dbraw/zinc/23/54/13/741235413.db2.gz JXXNLGOELAEHBE-SOUVJXGZSA-N 1 3 344.463 0.238 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001105064581 741273355 /nfs/dbraw/zinc/27/33/55/741273355.db2.gz XUYBRRNUCCETCW-OAGGEKHMSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3cnnn3C)CC2)C1 ZINC001026561351 741556484 /nfs/dbraw/zinc/55/64/84/741556484.db2.gz XJEOMMIRHFIESY-NFOMZHRRSA-N 1 3 334.468 0.674 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC001026598619 741596384 /nfs/dbraw/zinc/59/63/84/741596384.db2.gz QAPNVGNIPIDJRD-YMAMQOFZSA-N 1 3 347.463 0.898 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001026598390 741596420 /nfs/dbraw/zinc/59/64/20/741596420.db2.gz DYTWNSKRWDZLPB-BPCQOVAHSA-N 1 3 347.419 0.083 20 0 ECADHO COc1coc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1=O ZINC001026734247 741738912 /nfs/dbraw/zinc/73/89/12/741738912.db2.gz LVLFNLABIXAHOV-HIFRSBDPSA-N 1 3 349.431 0.681 20 0 ECADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001026846603 741953278 /nfs/dbraw/zinc/95/32/78/741953278.db2.gz CAACRAOWJBZHTG-WMLDXEAASA-N 1 3 331.464 0.700 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001026885275 742025376 /nfs/dbraw/zinc/02/53/76/742025376.db2.gz HSUIZLUZRLJZJM-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC001026887950 742044798 /nfs/dbraw/zinc/04/47/98/742044798.db2.gz YOFDYQKFNBIPNY-CJNGLKHVSA-N 1 3 347.463 0.764 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC001027022032 742314669 /nfs/dbraw/zinc/31/46/69/742314669.db2.gz ZOVPMBPIPZNYKH-JYJNAYRXSA-N 1 3 348.495 0.966 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001027022032 742314674 /nfs/dbraw/zinc/31/46/74/742314674.db2.gz ZOVPMBPIPZNYKH-JYJNAYRXSA-N 1 3 348.495 0.966 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001027036434 742348339 /nfs/dbraw/zinc/34/83/39/742348339.db2.gz AJMUYROZLGAKOI-AWEZNQCLSA-N 1 3 334.468 0.578 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027064309 742433655 /nfs/dbraw/zinc/43/36/55/742433655.db2.gz BRFBCZIQNUOHLX-GDBMZVCRSA-N 1 3 348.495 0.886 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001027091829 742526207 /nfs/dbraw/zinc/52/62/07/742526207.db2.gz VPEZGPFDUSAXOH-CJNGLKHVSA-N 1 3 345.447 0.544 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001027139536 742719507 /nfs/dbraw/zinc/71/95/07/742719507.db2.gz LBGTVSGGFMAULV-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@@H](N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028933867 742905604 /nfs/dbraw/zinc/90/56/04/742905604.db2.gz UOJLPLKIBJCCDO-LSDHHAIUSA-N 1 3 334.464 0.141 20 0 ECADHO Cc1cnc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC000997185880 743327426 /nfs/dbraw/zinc/32/74/26/743327426.db2.gz GKIHWDCBIBWZNF-UHFFFAOYSA-N 1 3 329.448 0.961 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997314377 743479562 /nfs/dbraw/zinc/47/95/62/743479562.db2.gz XHJDHQUDNJTGEQ-OAHLLOKOSA-N 1 3 347.463 0.526 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)n1 ZINC001020586709 751844316 /nfs/dbraw/zinc/84/43/16/751844316.db2.gz WRIHCGQDTYQHNP-DAXOMENPSA-N 1 3 334.468 0.616 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001020589146 751852354 /nfs/dbraw/zinc/85/23/54/751852354.db2.gz XWFJAPKXXURHNK-BZUAXINKSA-N 1 3 336.480 0.578 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c(C)n1 ZINC001020592922 751866510 /nfs/dbraw/zinc/86/65/10/751866510.db2.gz SCSRXSPADRXXNC-MPESAESLSA-N 1 3 347.463 0.728 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)c(C)n1 ZINC001020592922 751866520 /nfs/dbraw/zinc/86/65/20/751866520.db2.gz SCSRXSPADRXXNC-MPESAESLSA-N 1 3 347.463 0.728 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000998050786 743948660 /nfs/dbraw/zinc/94/86/60/743948660.db2.gz HDSKRZATGJRRAD-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000998050786 743948665 /nfs/dbraw/zinc/94/86/65/743948665.db2.gz HDSKRZATGJRRAD-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CC1CCN(CC(=O)N2CCC(C[NH2+][C@@H]3CCNC3=O)CC2)CC1 ZINC000998175910 744030060 /nfs/dbraw/zinc/03/00/60/744030060.db2.gz PPIJQWZRDLTHMA-MRXNPFEDSA-N 1 3 336.480 0.435 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC000976548484 744072426 /nfs/dbraw/zinc/07/24/26/744072426.db2.gz UTQFEAHRGMOEOZ-AIANPOQGSA-N 1 3 348.491 0.243 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC000976548484 744072429 /nfs/dbraw/zinc/07/24/29/744072429.db2.gz UTQFEAHRGMOEOZ-AIANPOQGSA-N 1 3 348.491 0.243 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC000976548494 744072442 /nfs/dbraw/zinc/07/24/42/744072442.db2.gz UTQFEAHRGMOEOZ-LJIGWXMPSA-N 1 3 348.491 0.243 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC000976548494 744072445 /nfs/dbraw/zinc/07/24/45/744072445.db2.gz UTQFEAHRGMOEOZ-LJIGWXMPSA-N 1 3 348.491 0.243 20 0 ECADHO O=C(N1CC[C@@H](C(F)(F)F)[C@@H](NCCO)C1)C12CCC[NH+]1CCC2 ZINC000998283439 744097713 /nfs/dbraw/zinc/09/77/13/744097713.db2.gz WECHDNALVVMROA-OLZOCXBDSA-N 1 3 349.397 0.976 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998652214 744268623 /nfs/dbraw/zinc/26/86/23/744268623.db2.gz PPZOTVZMRPWHPA-FXUDXRNXSA-N 1 3 346.475 0.425 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)CCC1 ZINC000999349414 744643315 /nfs/dbraw/zinc/64/33/15/744643315.db2.gz SPVUGJLLOJQXAQ-CQSZACIVSA-N 1 3 337.468 0.077 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000977198081 744773286 /nfs/dbraw/zinc/77/32/86/744773286.db2.gz YBUCTHFXMNEDIU-LCEIHVTHSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000977198081 744773289 /nfs/dbraw/zinc/77/32/89/744773289.db2.gz YBUCTHFXMNEDIU-LCEIHVTHSA-N 1 3 348.491 0.386 20 0 ECADHO O=C(CN[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1)N1CCC1 ZINC000999793301 744906000 /nfs/dbraw/zinc/90/60/00/744906000.db2.gz PYTNIROXZKREJW-WMZOPIPTSA-N 1 3 348.491 0.674 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999850122 744943349 /nfs/dbraw/zinc/94/33/49/744943349.db2.gz WDPQFDCCCLFNNI-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999850122 744943352 /nfs/dbraw/zinc/94/33/52/744943352.db2.gz WDPQFDCCCLFNNI-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCC(C)CC2)C1 ZINC000999885360 745003342 /nfs/dbraw/zinc/00/33/42/745003342.db2.gz NVFYRRWWVVAXLO-ZBFHGGJFSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCC(C)CC2)C1 ZINC000999885360 745003351 /nfs/dbraw/zinc/00/33/51/745003351.db2.gz NVFYRRWWVVAXLO-ZBFHGGJFSA-N 1 3 336.480 0.243 20 0 ECADHO CC1(C)CCN(CC(=O)NC2CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000999896297 745029783 /nfs/dbraw/zinc/02/97/83/745029783.db2.gz QKWSJRCKPOOYRW-UHFFFAOYSA-N 1 3 334.464 0.141 20 0 ECADHO Cn1nccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000983717189 745094541 /nfs/dbraw/zinc/09/45/41/745094541.db2.gz YWUIKHOHJOAOPR-NXNVCVFFSA-N 1 3 347.463 0.268 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCN(C)C1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029154065 745175801 /nfs/dbraw/zinc/17/58/01/745175801.db2.gz ZBNGUBKFZKRRLF-SWLSCSKDSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001000182761 745318847 /nfs/dbraw/zinc/31/88/47/745318847.db2.gz GFDOEJHYLLNYBU-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001000193807 745330558 /nfs/dbraw/zinc/33/05/58/745330558.db2.gz SHXAJPVSJOEYFV-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001000229176 745364723 /nfs/dbraw/zinc/36/47/23/745364723.db2.gz WXGSBCOBQGVYJL-HOTGVXAUSA-N 1 3 334.464 0.806 20 0 ECADHO C[C@@H](O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112155786 745439371 /nfs/dbraw/zinc/43/93/71/745439371.db2.gz KKJYPSLGRZZZTP-IJLUTSLNSA-N 1 3 325.375 0.688 20 0 ECADHO Cn1cncc1CN[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001000574545 745609580 /nfs/dbraw/zinc/60/95/80/745609580.db2.gz UXWXBBCDHQFKKZ-HNNXBMFYSA-N 1 3 349.479 0.612 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)CC[N@@H+]1C ZINC001075809038 745833323 /nfs/dbraw/zinc/83/33/23/745833323.db2.gz PCPUXUQRDYKKNV-YYIAUSFCSA-N 1 3 331.464 0.756 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)CC[N@H+]1C ZINC001075809038 745833329 /nfs/dbraw/zinc/83/33/29/745833329.db2.gz PCPUXUQRDYKKNV-YYIAUSFCSA-N 1 3 331.464 0.756 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000917640 745897857 /nfs/dbraw/zinc/89/78/57/745897857.db2.gz LRPRMIOYLWGACI-LSDHHAIUSA-N 1 3 334.468 0.639 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000917640 745897861 /nfs/dbraw/zinc/89/78/61/745897861.db2.gz LRPRMIOYLWGACI-LSDHHAIUSA-N 1 3 334.468 0.639 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001000919085 745898501 /nfs/dbraw/zinc/89/85/01/745898501.db2.gz PWQSCKWNUBLLAV-IAGOWNOFSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001000919085 745898507 /nfs/dbraw/zinc/89/85/07/745898507.db2.gz PWQSCKWNUBLLAV-IAGOWNOFSA-N 1 3 344.459 0.818 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000991936 745957668 /nfs/dbraw/zinc/95/76/68/745957668.db2.gz JZOBYHFOKMELIH-DOTOQJQBSA-N 1 3 344.459 0.831 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001001153000 746119061 /nfs/dbraw/zinc/11/90/61/746119061.db2.gz VETYIDLNVKDNRG-WBVHZDCISA-N 1 3 331.464 0.829 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001001153000 746119063 /nfs/dbraw/zinc/11/90/63/746119063.db2.gz VETYIDLNVKDNRG-WBVHZDCISA-N 1 3 331.464 0.829 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CCCO ZINC001087665309 746169014 /nfs/dbraw/zinc/16/90/14/746169014.db2.gz JDAMUHXWKUOFAU-SYGRHNPNSA-N 1 3 337.464 0.201 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CCCO ZINC001087665309 746169017 /nfs/dbraw/zinc/16/90/17/746169017.db2.gz JDAMUHXWKUOFAU-SYGRHNPNSA-N 1 3 337.464 0.201 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001059352410 746189241 /nfs/dbraw/zinc/18/92/41/746189241.db2.gz VMZOCLXPKKSCME-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)Nc1ccon1 ZINC001168030871 746525204 /nfs/dbraw/zinc/52/52/04/746525204.db2.gz SQUYKQWWIHUZSB-KGLIPLIRSA-N 1 3 349.435 0.726 20 0 ECADHO O=C(CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)Nc1ccon1 ZINC001168030871 746525207 /nfs/dbraw/zinc/52/52/07/746525207.db2.gz SQUYKQWWIHUZSB-KGLIPLIRSA-N 1 3 349.435 0.726 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027681382 746797391 /nfs/dbraw/zinc/79/73/91/746797391.db2.gz VMOYUSJLNIFZCM-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027681382 746797392 /nfs/dbraw/zinc/79/73/92/746797392.db2.gz VMOYUSJLNIFZCM-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001002081925 746957749 /nfs/dbraw/zinc/95/77/49/746957749.db2.gz AQWMZCVNZMZUSP-YOEHRIQHSA-N 1 3 348.491 0.245 20 0 ECADHO CN1CC[C@H](N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088091721 747351248 /nfs/dbraw/zinc/35/12/48/747351248.db2.gz XRRBGXZAWFXFBZ-IKGGRYGDSA-N 1 3 348.491 0.339 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000985154615 747478742 /nfs/dbraw/zinc/47/87/42/747478742.db2.gz JSOFIHDOYLWORU-KLHDSHLOSA-N 1 3 336.480 0.624 20 0 ECADHO CC(=O)O[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001211731847 752188920 /nfs/dbraw/zinc/18/89/20/752188920.db2.gz UPNWEXJTCMPMSD-BXUZGUMPSA-N 1 3 329.360 0.396 20 0 ECADHO O=C(N1C[C@H]2CCN([C@H]3CCCNC3=O)C[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001088172050 747680098 /nfs/dbraw/zinc/68/00/98/747680098.db2.gz SZVXKSNKOMTGFM-PMPSAXMXSA-N 1 3 346.475 0.141 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)C[C@@H]2CCc3ncnn32)CC1 ZINC000985332269 747716565 /nfs/dbraw/zinc/71/65/65/747716565.db2.gz KYFLVIHVCRSLQS-JKSUJKDBSA-N 1 3 346.479 0.782 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)C[C@@H]2CCc3ncnn32)CC1 ZINC000985332269 747716567 /nfs/dbraw/zinc/71/65/67/747716567.db2.gz KYFLVIHVCRSLQS-JKSUJKDBSA-N 1 3 346.479 0.782 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1)C1CC1 ZINC000985469501 748185821 /nfs/dbraw/zinc/18/58/21/748185821.db2.gz FHIQVPNRXKWMKV-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1)C1CC1 ZINC000985469501 748185822 /nfs/dbraw/zinc/18/58/22/748185822.db2.gz FHIQVPNRXKWMKV-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)C1(C(=O)N2CCC([N@H+](C)[C@H]3CCCNC3=O)CC2)CCC1 ZINC000985472492 748207563 /nfs/dbraw/zinc/20/75/63/748207563.db2.gz FTHVLXFAWUWECX-HNNXBMFYSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)[C@H]3CCCNC3=O)CC2)CCC1 ZINC000985472492 748207568 /nfs/dbraw/zinc/20/75/68/748207568.db2.gz FTHVLXFAWUWECX-HNNXBMFYSA-N 1 3 336.480 0.672 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)C12CCC[NH+]1CCC2 ZINC001003245249 748339571 /nfs/dbraw/zinc/33/95/71/748339571.db2.gz WGFNAZMWPIKYJT-UHFFFAOYSA-N 1 3 332.452 0.487 20 0 ECADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985542624 748437972 /nfs/dbraw/zinc/43/79/72/748437972.db2.gz ADVIBNKKTPOSDI-GEMJLEDKSA-N 1 3 337.464 0.153 20 0 ECADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985542624 748437976 /nfs/dbraw/zinc/43/79/76/748437976.db2.gz ADVIBNKKTPOSDI-GEMJLEDKSA-N 1 3 337.464 0.153 20 0 ECADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985551904 748469941 /nfs/dbraw/zinc/46/99/41/748469941.db2.gz BAHIQMPPXNSBDK-DLBZAZTESA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985552058 748471697 /nfs/dbraw/zinc/47/16/97/748471697.db2.gz CICAYTAGJVNNRD-CJNGLKHVSA-N 1 3 336.480 0.657 20 0 ECADHO CN(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCn2cncn2)C1)C1CC1 ZINC001088325834 748728664 /nfs/dbraw/zinc/72/86/64/748728664.db2.gz AAAMWHSJHFNFMK-SJORKVTESA-N 1 3 348.495 0.979 20 0 ECADHO NC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000980000607 748806161 /nfs/dbraw/zinc/80/61/61/748806161.db2.gz MKNVCSSQUXPXCX-ARFHVFGLSA-N 1 3 348.491 0.564 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088349710 748871837 /nfs/dbraw/zinc/87/18/37/748871837.db2.gz CAVPNXACPWXYAG-GARNVTTQSA-N 1 3 337.464 0.203 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCCCC[C@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001088431389 749206471 /nfs/dbraw/zinc/20/64/71/749206471.db2.gz SSMUNQKGRRRMAT-RDJZCZTQSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001004207468 749317269 /nfs/dbraw/zinc/31/72/69/749317269.db2.gz WGWAQBDEKOROFJ-GASCZTMLSA-N 1 3 334.468 0.732 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001004207468 749317272 /nfs/dbraw/zinc/31/72/72/749317272.db2.gz WGWAQBDEKOROFJ-GASCZTMLSA-N 1 3 334.468 0.732 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001059674364 749337646 /nfs/dbraw/zinc/33/76/46/749337646.db2.gz NBYJLGFHNPFDBI-LSDHHAIUSA-N 1 3 347.463 0.567 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059674364 749337651 /nfs/dbraw/zinc/33/76/51/749337651.db2.gz NBYJLGFHNPFDBI-LSDHHAIUSA-N 1 3 347.463 0.567 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059676957 749372338 /nfs/dbraw/zinc/37/23/38/749372338.db2.gz POWCDJUEMSHXKO-HOTGVXAUSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001059676957 749372346 /nfs/dbraw/zinc/37/23/46/749372346.db2.gz POWCDJUEMSHXKO-HOTGVXAUSA-N 1 3 338.496 0.633 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001059678558 749396910 /nfs/dbraw/zinc/39/69/10/749396910.db2.gz VYBJKLYLNKBDQB-INIZCTEOSA-N 1 3 348.491 0.533 20 0 ECADHO CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004388109 749454637 /nfs/dbraw/zinc/45/46/37/749454637.db2.gz PPZOTVZMRPWHPA-WCVJEAGWSA-N 1 3 346.475 0.425 20 0 ECADHO CN(Cc1ccc(C(N)=O)cc1)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980397587 749492128 /nfs/dbraw/zinc/49/21/28/749492128.db2.gz QCAGOMBEJHNBQI-DLBZAZTESA-N 1 3 344.459 0.770 20 0 ECADHO CN(Cc1ccc(C(N)=O)cc1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980397587 749492133 /nfs/dbraw/zinc/49/21/33/749492133.db2.gz QCAGOMBEJHNBQI-DLBZAZTESA-N 1 3 344.459 0.770 20 0 ECADHO C[N@H+](Cc1ccc(C(N)=O)cc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406772 749508664 /nfs/dbraw/zinc/50/86/64/749508664.db2.gz RXVLTCFPAQXWLU-QGZVFWFLSA-N 1 3 344.459 0.914 20 0 ECADHO C[N@@H+](Cc1ccc(C(N)=O)cc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406772 749508671 /nfs/dbraw/zinc/50/86/71/749508671.db2.gz RXVLTCFPAQXWLU-QGZVFWFLSA-N 1 3 344.459 0.914 20 0 ECADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(=O)NC)CC1)N(C)C ZINC001004547106 749608621 /nfs/dbraw/zinc/60/86/21/749608621.db2.gz LJOTVVFQPVXATC-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(=O)NC)CC1)N(C)C ZINC001004547106 749608625 /nfs/dbraw/zinc/60/86/25/749608625.db2.gz LJOTVVFQPVXATC-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980802022 750184815 /nfs/dbraw/zinc/18/48/15/750184815.db2.gz XHPNXKIFGSHMES-HUUCEWRRSA-N 1 3 334.468 0.720 20 0 ECADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987278077 750689055 /nfs/dbraw/zinc/68/90/55/750689055.db2.gz HQLTWSSUMOUAGO-YOEHRIQHSA-N 1 3 349.479 0.610 20 0 ECADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)cn1 ZINC000987361259 750754930 /nfs/dbraw/zinc/75/49/30/750754930.db2.gz ZCIFUOUDVMZHSP-XJKSGUPXSA-N 1 3 329.448 0.960 20 0 ECADHO C[C@@H]1[C@H](NCc2n[nH]c(C3CC3)n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360462 750755037 /nfs/dbraw/zinc/75/50/37/750755037.db2.gz VCVMLHYMXFSPLW-TZMCWYRMSA-N 1 3 344.463 0.857 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001059800330 750827759 /nfs/dbraw/zinc/82/77/59/750827759.db2.gz ODXSAUUTUVWBQF-RHSMWYFYSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001059804978 750914426 /nfs/dbraw/zinc/91/44/26/750914426.db2.gz QGOYUJUUGTZJFM-RDJZCZTQSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CN2CCCC2)C1 ZINC001006179658 751091716 /nfs/dbraw/zinc/09/17/16/751091716.db2.gz DPSQZAGXXVQRFI-IIAWOOMASA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CN2CCCC2)C1 ZINC001006179658 751091722 /nfs/dbraw/zinc/09/17/22/751091722.db2.gz DPSQZAGXXVQRFI-IIAWOOMASA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CCCN1C ZINC000988774972 752761770 /nfs/dbraw/zinc/76/17/70/752761770.db2.gz IEZDCMHZNQSYOU-KBMXLJTQSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624773 753972459 /nfs/dbraw/zinc/97/24/59/753972459.db2.gz GMTKRBRMNKZDNG-HUUCEWRRSA-N 1 3 336.480 0.564 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)n1 ZINC000989798721 754459138 /nfs/dbraw/zinc/45/91/38/754459138.db2.gz DTBSSPGKVGKOSG-CJNGLKHVSA-N 1 3 334.468 0.570 20 0 ECADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)CN1C(=O)CN1CCCC1 ZINC000989799715 754461267 /nfs/dbraw/zinc/46/12/67/754461267.db2.gz NWBFAIOSYWTVPY-YOEHRIQHSA-N 1 3 344.459 0.960 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000990278381 754934238 /nfs/dbraw/zinc/93/42/38/754934238.db2.gz QSXOBRMIOFNZAJ-DZGCQCFKSA-N 1 3 343.493 0.096 20 0 ECADHO CN1CCC[C@H](N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028777977 755085874 /nfs/dbraw/zinc/08/58/74/755085874.db2.gz ABFMSTNTPFFRQJ-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000983304393 755111374 /nfs/dbraw/zinc/11/13/74/755111374.db2.gz OTFCULJZGFJTLV-HZPDHXFCSA-N 1 3 348.491 0.389 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001028846015 755293773 /nfs/dbraw/zinc/29/37/73/755293773.db2.gz WARZIVVTYKMLAI-IAGOWNOFSA-N 1 3 348.495 0.979 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028846015 755293776 /nfs/dbraw/zinc/29/37/76/755293776.db2.gz WARZIVVTYKMLAI-IAGOWNOFSA-N 1 3 348.495 0.979 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000983366102 755412881 /nfs/dbraw/zinc/41/28/81/755412881.db2.gz VZKOFVCTSCJAPG-ZDUSSCGKSA-N 1 3 333.436 0.259 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001030020184 755577990 /nfs/dbraw/zinc/57/79/90/755577990.db2.gz RLKPVPZJLCQSHW-USXIJHARSA-N 1 3 348.491 0.815 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)CC1 ZINC001076204060 756209501 /nfs/dbraw/zinc/20/95/01/756209501.db2.gz PWJAQXPGDFTEGX-DLBZAZTESA-N 1 3 348.491 0.483 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)CC1 ZINC001076324778 756359279 /nfs/dbraw/zinc/35/92/79/756359279.db2.gz ZOSGNSRBVVDENT-DLBZAZTESA-N 1 3 346.479 0.543 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2ccnn2C)C1 ZINC001051612284 762468136 /nfs/dbraw/zinc/46/81/36/762468136.db2.gz QOLZHBCLTKBWOU-DLBZAZTESA-N 1 3 349.479 0.610 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2ccnn2C)C1 ZINC001051612284 762468140 /nfs/dbraw/zinc/46/81/40/762468140.db2.gz QOLZHBCLTKBWOU-DLBZAZTESA-N 1 3 349.479 0.610 20 0 ECADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001076587919 756692801 /nfs/dbraw/zinc/69/28/01/756692801.db2.gz GVRALBDAFBVXGC-GJZGRUSLSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001076587919 756692802 /nfs/dbraw/zinc/69/28/02/756692802.db2.gz GVRALBDAFBVXGC-GJZGRUSLSA-N 1 3 340.512 0.927 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001011162991 757082749 /nfs/dbraw/zinc/08/27/49/757082749.db2.gz FKVRPOXZEJXCKZ-MRXNPFEDSA-N 1 3 334.464 0.095 20 0 ECADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001048834020 757138940 /nfs/dbraw/zinc/13/89/40/757138940.db2.gz XUIKKPNDKMDODQ-FZKCQIBNSA-N 1 3 325.428 0.599 20 0 ECADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001048834020 757138946 /nfs/dbraw/zinc/13/89/46/757138946.db2.gz XUIKKPNDKMDODQ-FZKCQIBNSA-N 1 3 325.428 0.599 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001011197571 757175711 /nfs/dbraw/zinc/17/57/11/757175711.db2.gz PEYKXNJFJFXKSE-JKSUJKDBSA-N 1 3 345.447 0.640 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001011197571 757175719 /nfs/dbraw/zinc/17/57/19/757175719.db2.gz PEYKXNJFJFXKSE-JKSUJKDBSA-N 1 3 345.447 0.640 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863630 757218508 /nfs/dbraw/zinc/21/85/08/757218508.db2.gz JEOPJNYCUZAIHQ-HNKHHVNMSA-N 1 3 336.480 0.194 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863630 757218515 /nfs/dbraw/zinc/21/85/15/757218515.db2.gz JEOPJNYCUZAIHQ-HNKHHVNMSA-N 1 3 336.480 0.194 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001048890399 757309376 /nfs/dbraw/zinc/30/93/76/757309376.db2.gz GLJZGMKXCOQBCF-QKPAOTATSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001048890399 757309386 /nfs/dbraw/zinc/30/93/86/757309386.db2.gz GLJZGMKXCOQBCF-QKPAOTATSA-N 1 3 336.480 0.338 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)C1CCC1 ZINC001011264858 757336312 /nfs/dbraw/zinc/33/63/12/757336312.db2.gz UKTINYZLNMTXQY-KRWDZBQOSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000996315210 757348896 /nfs/dbraw/zinc/34/88/96/757348896.db2.gz QWCSJPBDLVUMMD-RDTXWAMCSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996316191 757352243 /nfs/dbraw/zinc/35/22/43/757352243.db2.gz ZHVNDSWIQRKYAR-KBXCAEBGSA-N 1 3 348.491 0.672 20 0 ECADHO Cn1cc(CN2[C@@H]3CC[C@H]2CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C3)cn1 ZINC001021459977 757473396 /nfs/dbraw/zinc/47/33/96/757473396.db2.gz VQZQDWXYXFKIPT-MGNMYUMUSA-N 1 3 331.464 0.983 20 0 ECADHO Cn1cc(CN2[C@@H]3CC[C@H]2CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)cn1 ZINC001021459977 757473401 /nfs/dbraw/zinc/47/34/01/757473401.db2.gz VQZQDWXYXFKIPT-MGNMYUMUSA-N 1 3 331.464 0.983 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@H]2C1)[NH+](C)C ZINC001049039456 757757702 /nfs/dbraw/zinc/75/77/02/757757702.db2.gz QLRMJSQMHYEICD-LVQVYYBASA-N 1 3 338.496 0.440 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@@H]3C2)C1 ZINC001049057287 757806727 /nfs/dbraw/zinc/80/67/27/757806727.db2.gz DEEKBQYTWQOORF-YESZJQIVSA-N 1 3 345.491 0.695 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCc4ccnn4C)C[C@@H]3C2)C1 ZINC001049057287 757806737 /nfs/dbraw/zinc/80/67/37/757806737.db2.gz DEEKBQYTWQOORF-YESZJQIVSA-N 1 3 345.491 0.695 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)CCC[NH+](C)C ZINC001077021062 757958782 /nfs/dbraw/zinc/95/87/82/757958782.db2.gz JTSYYRMJGLCFPL-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO CC(C)CC[NH+]1CC(n2cc(CNC(=O)CN3CCCC3)nn2)C1 ZINC001107235513 758023495 /nfs/dbraw/zinc/02/34/95/758023495.db2.gz HOUREDAVMMXPOR-UHFFFAOYSA-N 1 3 334.468 0.893 20 0 ECADHO O=C(N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563278 758177079 /nfs/dbraw/zinc/17/70/79/758177079.db2.gz HLCRQJOKWZXIQD-OAGGEKHMSA-N 1 3 337.464 0.060 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011645475 758201019 /nfs/dbraw/zinc/20/10/19/758201019.db2.gz CXQDIZCFIODVED-NVXWUHKLSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011645475 758201025 /nfs/dbraw/zinc/20/10/25/758201025.db2.gz CXQDIZCFIODVED-NVXWUHKLSA-N 1 3 338.496 0.585 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022071449 758234755 /nfs/dbraw/zinc/23/47/55/758234755.db2.gz QJCMRYIBHMYCJQ-IJEWVQPXSA-N 1 3 334.468 0.908 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022071449 758234762 /nfs/dbraw/zinc/23/47/62/758234762.db2.gz QJCMRYIBHMYCJQ-IJEWVQPXSA-N 1 3 334.468 0.908 20 0 ECADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)N1CCCCC1 ZINC001022078224 758242860 /nfs/dbraw/zinc/24/28/60/758242860.db2.gz ZMCKTSQVZOTDMD-GASCZTMLSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1)C1CC1 ZINC000996677617 758447550 /nfs/dbraw/zinc/44/75/50/758447550.db2.gz LSDRYRGPCKQCFM-NVXWUHKLSA-N 1 3 346.479 0.686 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001060320583 762636848 /nfs/dbraw/zinc/63/68/48/762636848.db2.gz WIEAOKQOSPHIGC-DOTOQJQBSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)[NH+](C)C ZINC001011829603 758686859 /nfs/dbraw/zinc/68/68/59/758686859.db2.gz PQVCEMXTHNWEBO-NVXWUHKLSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671167 762654441 /nfs/dbraw/zinc/65/44/41/762654441.db2.gz DYWRVTJTUVXWFD-UONOGXRCSA-N 1 3 335.452 0.647 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001022612813 758954072 /nfs/dbraw/zinc/95/40/72/758954072.db2.gz HANIXPOEMPNFJU-BETUJISGSA-N 1 3 332.408 0.520 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001022712378 759024822 /nfs/dbraw/zinc/02/48/22/759024822.db2.gz PRXPNBLCJMOPSK-APIJFGDWSA-N 1 3 332.452 0.487 20 0 ECADHO CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC001022712597 759025336 /nfs/dbraw/zinc/02/53/36/759025336.db2.gz VCNGFFWSNQPNQH-WCVJEAGWSA-N 1 3 336.480 0.717 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001022712972 759028573 /nfs/dbraw/zinc/02/85/73/759028573.db2.gz FICRVZCORAPOKQ-CAOSSQGBSA-N 1 3 336.480 0.574 20 0 ECADHO CN1CCC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001022716964 759031798 /nfs/dbraw/zinc/03/17/98/759031798.db2.gz LEEJAIGQSVIFES-QLFBSQMISA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001022719519 759038243 /nfs/dbraw/zinc/03/82/43/759038243.db2.gz LGILCVPPZOWHHS-SCUASFONSA-N 1 3 332.452 0.617 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001022719519 759038247 /nfs/dbraw/zinc/03/82/47/759038247.db2.gz LGILCVPPZOWHHS-SCUASFONSA-N 1 3 332.452 0.617 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001012111785 759427051 /nfs/dbraw/zinc/42/70/51/759427051.db2.gz FJGKWFUPGQSCBA-HNNXBMFYSA-N 1 3 347.463 0.745 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001012111785 759427054 /nfs/dbraw/zinc/42/70/54/759427054.db2.gz FJGKWFUPGQSCBA-HNNXBMFYSA-N 1 3 347.463 0.745 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC2CC2)[C@H](C)C1 ZINC001107042617 759504130 /nfs/dbraw/zinc/50/41/30/759504130.db2.gz VJMGYRWNJGUALB-QLFBSQMISA-N 1 3 338.496 0.678 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)C1CCC1 ZINC001050063738 759642330 /nfs/dbraw/zinc/64/23/30/759642330.db2.gz UATIWCUWRNJHFI-CWRNSKLLSA-N 1 3 334.464 0.282 20 0 ECADHO CN(CC(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)C1CCC1 ZINC001050063738 759642334 /nfs/dbraw/zinc/64/23/34/759642334.db2.gz UATIWCUWRNJHFI-CWRNSKLLSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047891029 759661558 /nfs/dbraw/zinc/66/15/58/759661558.db2.gz PNKCMMLKJIREKB-HUUCEWRRSA-N 1 3 346.479 0.770 20 0 ECADHO Cc1nnc(CN[C@@H](C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001047960376 759750082 /nfs/dbraw/zinc/75/00/82/759750082.db2.gz SKFXEYFWCKRLGD-SWLSCSKDSA-N 1 3 334.468 0.782 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001050120303 759750658 /nfs/dbraw/zinc/75/06/58/759750658.db2.gz ZNPODVUCPZMQQL-YHUYYLMFSA-N 1 3 336.480 0.657 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001050120303 759750663 /nfs/dbraw/zinc/75/06/63/759750663.db2.gz ZNPODVUCPZMQQL-YHUYYLMFSA-N 1 3 336.480 0.657 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047989218 759779586 /nfs/dbraw/zinc/77/95/86/759779586.db2.gz PGIFTEIVHWGGGD-GDBMZVCRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063716 759904497 /nfs/dbraw/zinc/90/44/97/759904497.db2.gz FPWOTUVARNZIIG-NVXWUHKLSA-N 1 3 346.475 0.808 20 0 ECADHO CN1CCC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050234951 760014945 /nfs/dbraw/zinc/01/49/45/760014945.db2.gz JJKMUMVLEJOOIP-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050236592 760021400 /nfs/dbraw/zinc/02/14/00/760021400.db2.gz RHMKPZQGKBTAIE-GDBMZVCRSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nncn3C)CC2)C1 ZINC001050367690 760189490 /nfs/dbraw/zinc/18/94/90/760189490.db2.gz OTEAODUKOSGVJV-BZUAXINKSA-N 1 3 348.495 0.922 20 0 ECADHO CN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)CC2)C1=O ZINC001050456573 760293057 /nfs/dbraw/zinc/29/30/57/760293057.db2.gz MGBPZVFSHHUEEU-HUUCEWRRSA-N 1 3 334.464 0.236 20 0 ECADHO CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)CC2)C1=O ZINC001050462080 760306693 /nfs/dbraw/zinc/30/66/93/760306693.db2.gz PGYQQOIIIBCRMS-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1nncn1C ZINC001048369132 760387896 /nfs/dbraw/zinc/38/78/96/760387896.db2.gz NKGOSKSAWDDKRV-DZGCQCFKSA-N 1 3 334.468 0.341 20 0 ECADHO Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cn1 ZINC001048398421 760440438 /nfs/dbraw/zinc/44/04/38/760440438.db2.gz QISQZKNLJJTYGC-IUODEOHRSA-N 1 3 328.420 0.935 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1)C1CC1 ZINC000995892736 760735824 /nfs/dbraw/zinc/73/58/24/760735824.db2.gz GDRMGGZTFUKCMN-ZBFHGGJFSA-N 1 3 336.480 0.386 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001048624138 760807564 /nfs/dbraw/zinc/80/75/64/760807564.db2.gz IFPTUMHHWCGIDP-BZUAXINKSA-N 1 3 348.495 0.779 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001048624138 760807575 /nfs/dbraw/zinc/80/75/75/760807575.db2.gz IFPTUMHHWCGIDP-BZUAXINKSA-N 1 3 348.495 0.779 20 0 ECADHO CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1N[C@H]1CCNC1=O ZINC000995964907 760850843 /nfs/dbraw/zinc/85/08/43/760850843.db2.gz HKRZKJJTMWMYNI-LSDHHAIUSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000991440722 760956639 /nfs/dbraw/zinc/95/66/39/760956639.db2.gz KUBQPRATQVYCGY-CQSZACIVSA-N 1 3 336.480 0.387 20 0 ECADHO Cc1cc(C)n(CC[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]3C2)n1 ZINC001048723341 761038785 /nfs/dbraw/zinc/03/87/85/761038785.db2.gz CNAASLZTBPKAPU-FGTMMUONSA-N 1 3 345.491 0.984 20 0 ECADHO Cc1cc(C)n(CC[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]3C2)n1 ZINC001048723341 761038794 /nfs/dbraw/zinc/03/87/94/761038794.db2.gz CNAASLZTBPKAPU-FGTMMUONSA-N 1 3 345.491 0.984 20 0 ECADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106245963 768010119 /nfs/dbraw/zinc/01/01/19/768010119.db2.gz HOUITWDVYZJCRH-KFWWJZLASA-N 1 3 327.469 0.162 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000991483343 761162385 /nfs/dbraw/zinc/16/23/85/761162385.db2.gz GZVUSMAFMMJBDC-HNNXBMFYSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000991483343 761162389 /nfs/dbraw/zinc/16/23/89/761162389.db2.gz GZVUSMAFMMJBDC-HNNXBMFYSA-N 1 3 336.480 0.671 20 0 ECADHO CN(CC(=O)N1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001017464211 768012643 /nfs/dbraw/zinc/01/26/43/768012643.db2.gz GITOAGRXJXUXIQ-INIZCTEOSA-N 1 3 348.491 0.697 20 0 ECADHO CN(CC(=O)N1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001017464211 768012651 /nfs/dbraw/zinc/01/26/51/768012651.db2.gz GITOAGRXJXUXIQ-INIZCTEOSA-N 1 3 348.491 0.697 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001060257115 761215857 /nfs/dbraw/zinc/21/58/57/761215857.db2.gz YLTDNXVGAWPFIE-HNNXBMFYSA-N 1 3 349.479 0.957 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001051800449 762996336 /nfs/dbraw/zinc/99/63/36/762996336.db2.gz BECQVSIVFDJIEI-MRXNPFEDSA-N 1 3 335.452 0.079 20 0 ECADHO CC(C)[C@H](C(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1)[NH+](C)C ZINC001051806396 763009673 /nfs/dbraw/zinc/00/96/73/763009673.db2.gz IBBPOVXOEFBQTI-HZPDHXFCSA-N 1 3 337.468 0.323 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001051824059 763049734 /nfs/dbraw/zinc/04/97/34/763049734.db2.gz GYFCHJKUELTAJD-HOCLYGCPSA-N 1 3 335.452 0.221 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001051825383 763055133 /nfs/dbraw/zinc/05/51/33/763055133.db2.gz SSAGMWZZMLEZSR-GOEBONIOSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CCO2)cn1 ZINC001051858665 763129752 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0.578 20 0 ECADHO CN1CC[C@H](N2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001052680334 764986206 /nfs/dbraw/zinc/98/62/06/764986206.db2.gz JBJXVDWBOLFJTG-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001052782445 765109240 /nfs/dbraw/zinc/10/92/40/765109240.db2.gz GWUSIPVCIGBFCS-CVEARBPZSA-N 1 3 340.512 0.879 20 0 ECADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001052782445 765109243 /nfs/dbraw/zinc/10/92/43/765109243.db2.gz GWUSIPVCIGBFCS-CVEARBPZSA-N 1 3 340.512 0.879 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(CCCN3CCCC3=O)C2)CC1 ZINC001015654889 765128930 /nfs/dbraw/zinc/12/89/30/765128930.db2.gz HMOLBPOZYQEQPO-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001015655709 765129212 /nfs/dbraw/zinc/12/92/12/765129212.db2.gz XHGAZFNKVOLBOM-GJZGRUSLSA-N 1 3 332.452 0.298 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1)C1CCC1 ZINC000992008166 765144086 /nfs/dbraw/zinc/14/40/86/765144086.db2.gz HOHOKEJZNPOEOA-IAGOWNOFSA-N 1 3 348.491 0.815 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1)C1CCC1 ZINC000992008166 765144091 /nfs/dbraw/zinc/14/40/91/765144091.db2.gz HOHOKEJZNPOEOA-IAGOWNOFSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052869832 765263791 /nfs/dbraw/zinc/26/37/91/765263791.db2.gz NWWOLGWLTUEFBS-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)CN1CCC[C@H]1C ZINC001077495477 765637800 /nfs/dbraw/zinc/63/78/00/765637800.db2.gz HDOAJQLZEYBHEV-LSDHHAIUSA-N 1 3 342.484 0.060 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(=O)N1CCCC1 ZINC001054854767 768341660 /nfs/dbraw/zinc/34/16/60/768341660.db2.gz XTGWETRIKHSEIJ-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O)C1CCC1 ZINC001045794946 766379269 /nfs/dbraw/zinc/37/92/69/766379269.db2.gz IHBUTYPSCHFBEY-IKGGRYGDSA-N 1 3 348.491 0.815 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCCNC1=O)C1CCC1 ZINC001045794946 766379279 /nfs/dbraw/zinc/37/92/79/766379279.db2.gz IHBUTYPSCHFBEY-IKGGRYGDSA-N 1 3 348.491 0.815 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC000992400145 766483663 /nfs/dbraw/zinc/48/36/63/766483663.db2.gz MHJDYZNCCURKCF-ARFHVFGLSA-N 1 3 336.480 0.384 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC000992400145 766483669 /nfs/dbraw/zinc/48/36/69/766483669.db2.gz MHJDYZNCCURKCF-ARFHVFGLSA-N 1 3 336.480 0.384 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)NCc1ccco1 ZINC001127254355 766509499 /nfs/dbraw/zinc/50/94/99/766509499.db2.gz DOHRQCOFIQMRRK-LSDHHAIUSA-N 1 3 348.447 0.476 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)NCc1ccco1 ZINC001127254355 766509502 /nfs/dbraw/zinc/50/95/02/766509502.db2.gz DOHRQCOFIQMRRK-LSDHHAIUSA-N 1 3 348.447 0.476 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(CCN2CCCC2=O)CC3)C1 ZINC000992498203 766715914 /nfs/dbraw/zinc/71/59/14/766715914.db2.gz FXBIOLMDVOHYGR-FCEWJHQRSA-N 1 3 348.491 0.674 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(CCN2CCCC2=O)CC3)C1 ZINC000992498203 766715920 /nfs/dbraw/zinc/71/59/20/766715920.db2.gz FXBIOLMDVOHYGR-FCEWJHQRSA-N 1 3 348.491 0.674 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001031715331 766716566 /nfs/dbraw/zinc/71/65/66/766716566.db2.gz RNLNAJNWSQUPGB-SJORKVTESA-N 1 3 349.479 0.166 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001031715331 766716571 /nfs/dbraw/zinc/71/65/71/766716571.db2.gz RNLNAJNWSQUPGB-SJORKVTESA-N 1 3 349.479 0.166 20 0 ECADHO CC(C)(C(=O)N[C@H]1CC12CCN([C@@H]1CCNC1=O)CC2)[NH+]1CCCC1 ZINC001016762184 766863964 /nfs/dbraw/zinc/86/39/64/766863964.db2.gz XGVOAJOWRSUHBJ-CABCVRRESA-N 1 3 348.491 0.720 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016935848 767350537 /nfs/dbraw/zinc/35/05/37/767350537.db2.gz PCWHEKHKHHTQCR-UONOGXRCSA-N 1 3 334.464 0.187 20 0 ECADHO O=C(NCC1C[NH+](C[C@H]2CCCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031856623 767445824 /nfs/dbraw/zinc/44/58/24/767445824.db2.gz DTSZZOFSBPHAOB-PSPFXIJKSA-N 1 3 349.475 0.324 20 0 ECADHO Cn1cc(CCN2CC3(C2)C[C@H](NC(=O)C[NH+]2CCCC2)CO3)cn1 ZINC001054009048 767587476 /nfs/dbraw/zinc/58/74/76/767587476.db2.gz NTTMBLQDPJKFDE-INIZCTEOSA-N 1 3 347.463 0.018 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)N(C)C ZINC001106633855 768531050 /nfs/dbraw/zinc/53/10/50/768531050.db2.gz WTFYQBKNMIYNBE-IIAWOOMASA-N 1 3 326.485 0.345 20 0 ECADHO C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](O)C1 ZINC001083733212 768537848 /nfs/dbraw/zinc/53/78/48/768537848.db2.gz DRGJWFNMFZLKII-BNOWGMLFSA-N 1 3 327.400 0.864 20 0 ECADHO C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](O)C1 ZINC001083733212 768537852 /nfs/dbraw/zinc/53/78/52/768537852.db2.gz DRGJWFNMFZLKII-BNOWGMLFSA-N 1 3 327.400 0.864 20 0 ECADHO CCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705140 768693971 /nfs/dbraw/zinc/69/39/71/768693971.db2.gz TZCWESBXVOSZPQ-RBSFLKMASA-N 1 3 349.479 0.941 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001018232371 768932077 /nfs/dbraw/zinc/93/20/77/768932077.db2.gz PDWLVVANWKVEFB-ZFWWWQNUSA-N 1 3 347.463 0.790 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(CC)C2=O)[C@H](C)C1 ZINC001106784622 768959564 /nfs/dbraw/zinc/95/95/64/768959564.db2.gz KHUYBWGGRAGAFO-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1 ZINC000993499932 769179695 /nfs/dbraw/zinc/17/96/95/769179695.db2.gz CQVRWMLCNKCFBW-SUNYJGFJSA-N 1 3 345.447 0.211 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1 ZINC000993499932 769179700 /nfs/dbraw/zinc/17/97/00/769179700.db2.gz CQVRWMLCNKCFBW-SUNYJGFJSA-N 1 3 345.447 0.211 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000993803772 769644406 /nfs/dbraw/zinc/64/44/06/769644406.db2.gz BEUTUTKBCCLRJZ-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000993803772 769644411 /nfs/dbraw/zinc/64/44/11/769644411.db2.gz BEUTUTKBCCLRJZ-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000993949810 769931227 /nfs/dbraw/zinc/93/12/27/769931227.db2.gz NQICQRCBGKLHQH-HOTGVXAUSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000993949810 769931231 /nfs/dbraw/zinc/93/12/31/769931231.db2.gz NQICQRCBGKLHQH-HOTGVXAUSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001018880523 770181656 /nfs/dbraw/zinc/18/16/56/770181656.db2.gz SUSJIJOJYPZNGN-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001018880523 770181662 /nfs/dbraw/zinc/18/16/62/770181662.db2.gz SUSJIJOJYPZNGN-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)CCC1 ZINC001018963408 770412175 /nfs/dbraw/zinc/41/21/75/770412175.db2.gz NKRBCLKLECUVPT-HOCLYGCPSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC001018964772 770417640 /nfs/dbraw/zinc/41/76/40/770417640.db2.gz MBULOTSCLDBIIC-RDJZCZTQSA-N 1 3 332.448 0.416 20 0 ECADHO CCn1cc(CC[NH2+][C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cn1 ZINC001018966092 770421506 /nfs/dbraw/zinc/42/15/06/770421506.db2.gz CAEPOVXMBRGYRX-DLBZAZTESA-N 1 3 333.480 0.976 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1)N(C)C ZINC001019032106 770607866 /nfs/dbraw/zinc/60/78/66/770607866.db2.gz GFIKPDYEELBVMT-RRFJBIMHSA-N 1 3 338.496 0.917 20 0 ECADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001019087965 770754942 /nfs/dbraw/zinc/75/49/42/770754942.db2.gz HJFMXRCUMDGUMF-LSDHHAIUSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001078405413 782885386 /nfs/dbraw/zinc/88/53/86/782885386.db2.gz MOXIUPOKMNMFHT-DJIMGWMZSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001078405413 782885392 /nfs/dbraw/zinc/88/53/92/782885392.db2.gz MOXIUPOKMNMFHT-DJIMGWMZSA-N 1 3 349.479 0.467 20 0 ECADHO CCn1cc(CC[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cn1 ZINC001019382416 771230486 /nfs/dbraw/zinc/23/04/86/771230486.db2.gz APNNBAFNYBITRN-WBVHZDCISA-N 1 3 333.480 0.978 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC[NH+](C)C ZINC001056417464 771250502 /nfs/dbraw/zinc/25/05/02/771250502.db2.gz WZMBVEBHEJMVEM-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC[NH+](C)C ZINC001056487655 771325847 /nfs/dbraw/zinc/32/58/47/771325847.db2.gz CORNDDSZWXZUDO-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001056546017 771370859 /nfs/dbraw/zinc/37/08/59/771370859.db2.gz PUYABKSKIMQJFS-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001056720109 771552902 /nfs/dbraw/zinc/55/29/02/771552902.db2.gz VSKWSTUYCOJPAS-GOEBONIOSA-N 1 3 347.463 0.743 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001056720109 771552904 /nfs/dbraw/zinc/55/29/04/771552904.db2.gz VSKWSTUYCOJPAS-GOEBONIOSA-N 1 3 347.463 0.743 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001078432471 782940177 /nfs/dbraw/zinc/94/01/77/782940177.db2.gz AJBNJMWGVTWONO-VIHIWDAPSA-N 1 3 349.475 0.467 20 0 ECADHO Cc1csc(=O)n1CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019774906 771783418 /nfs/dbraw/zinc/78/34/18/771783418.db2.gz MYCHDQKKPHIQEV-AWEZNQCLSA-N 1 3 338.477 0.505 20 0 ECADHO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001019775128 771783809 /nfs/dbraw/zinc/78/38/09/771783809.db2.gz YNTDPDPCAHVDGA-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CC(=O)N2CCCCCC2)C1 ZINC001019776151 771784726 /nfs/dbraw/zinc/78/47/26/771784726.db2.gz YWQYAWWTIUERPE-INIZCTEOSA-N 1 3 336.480 0.675 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001019776028 771784892 /nfs/dbraw/zinc/78/48/92/771784892.db2.gz SFWHMSFMZLTGEA-HNNXBMFYSA-N 1 3 343.493 0.098 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001078460336 782987264 /nfs/dbraw/zinc/98/72/64/782987264.db2.gz QKEHGUVLZVRJBW-KRWDZBQOSA-N 1 3 349.479 0.469 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H](NCc3cncs3)C2)n1 ZINC001020165270 772234323 /nfs/dbraw/zinc/23/43/23/772234323.db2.gz QSGXYONMBLLYII-JOCQHMNTSA-N 1 3 348.476 0.952 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178631 772248051 /nfs/dbraw/zinc/24/80/51/772248051.db2.gz AFIOYIVNWLRVQY-FPCVCCKLSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178631 772248053 /nfs/dbraw/zinc/24/80/53/772248053.db2.gz AFIOYIVNWLRVQY-FPCVCCKLSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)o1 ZINC001020178823 772248562 /nfs/dbraw/zinc/24/85/62/772248562.db2.gz GBAWLDGVIRMZMO-JKQORVJESA-N 1 3 348.447 0.891 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)o1 ZINC001020178823 772248568 /nfs/dbraw/zinc/24/85/68/772248568.db2.gz GBAWLDGVIRMZMO-JKQORVJESA-N 1 3 348.447 0.891 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179021 772249578 /nfs/dbraw/zinc/24/95/78/772249578.db2.gz LDFPNVPAQJYADA-VGWMRTNUSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020179021 772249582 /nfs/dbraw/zinc/24/95/82/772249582.db2.gz LDFPNVPAQJYADA-VGWMRTNUSA-N 1 3 334.420 0.583 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccccn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020178894 772249749 /nfs/dbraw/zinc/24/97/49/772249749.db2.gz IDNIKYHEDYKBCN-VQHPVUNQSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccccn2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001020178894 772249752 /nfs/dbraw/zinc/24/97/52/772249752.db2.gz IDNIKYHEDYKBCN-VQHPVUNQSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccc(F)cn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001020178994 772249785 /nfs/dbraw/zinc/24/97/85/772249785.db2.gz KUXNZISANBZCLJ-QAETUUGQSA-N 1 3 348.422 0.821 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccc(F)cn2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001020178994 772249789 /nfs/dbraw/zinc/24/97/89/772249789.db2.gz KUXNZISANBZCLJ-QAETUUGQSA-N 1 3 348.422 0.821 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC[C@@H]1C)NC(=O)C1CC[NH+](C)CC1 ZINC001078467732 783003868 /nfs/dbraw/zinc/00/38/68/783003868.db2.gz MHXZBAPGBFLTDS-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)CN1CCCC1 ZINC001020274168 772386722 /nfs/dbraw/zinc/38/67/22/772386722.db2.gz AFIUEUSCZICNSH-XIRDDKMYSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC2CCOCC2)C1)N(C)C ZINC001078469961 783011016 /nfs/dbraw/zinc/01/10/16/783011016.db2.gz CCDOTHKNZQNTRO-IRXDYDNUSA-N 1 3 341.496 0.960 20 0 ECADHO Cn1cnc2cc(C(=O)N[C@@H]3C[C@@H]([NH2+]Cc4cnn(C)n4)C3)ccc21 ZINC001020316558 772438167 /nfs/dbraw/zinc/43/81/67/772438167.db2.gz OSIKVCRHDLEPSX-JOCQHMNTSA-N 1 3 339.403 0.752 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)CN1CCCC1 ZINC001044857230 774681314 /nfs/dbraw/zinc/68/13/14/774681314.db2.gz GPPBVBVMDOOXMK-NVXWUHKLSA-N 1 3 346.475 0.950 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC2(C)CCN(CCN3CCCC3=O)CC2)C1 ZINC001045639260 775946281 /nfs/dbraw/zinc/94/62/81/775946281.db2.gz FNKYPRZMFJJFOB-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(CCN3CCCC3=O)CC2)C1 ZINC001045639260 775946294 /nfs/dbraw/zinc/94/62/94/775946294.db2.gz FNKYPRZMFJJFOB-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001079816373 776930355 /nfs/dbraw/zinc/93/03/55/776930355.db2.gz CAVUTNMWBOFYLG-ZBFHGGJFSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001079816373 776930360 /nfs/dbraw/zinc/93/03/60/776930360.db2.gz CAVUTNMWBOFYLG-ZBFHGGJFSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001079816664 776931128 /nfs/dbraw/zinc/93/11/28/776931128.db2.gz OIVFUAZJKQHHAL-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079816664 776931133 /nfs/dbraw/zinc/93/11/33/776931133.db2.gz OIVFUAZJKQHHAL-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001079931166 777106842 /nfs/dbraw/zinc/10/68/42/777106842.db2.gz LRNFCJCVTFAPDS-GOEBONIOSA-N 1 3 338.496 0.584 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001079931166 777106849 /nfs/dbraw/zinc/10/68/49/777106849.db2.gz LRNFCJCVTFAPDS-GOEBONIOSA-N 1 3 338.496 0.584 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001080018084 777239197 /nfs/dbraw/zinc/23/91/97/777239197.db2.gz GPUXMDPDMVHUKJ-OAHLLOKOSA-N 1 3 326.485 0.728 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001080018084 777239206 /nfs/dbraw/zinc/23/92/06/777239206.db2.gz GPUXMDPDMVHUKJ-OAHLLOKOSA-N 1 3 326.485 0.728 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080146579 777465092 /nfs/dbraw/zinc/46/50/92/777465092.db2.gz NKKPVWRXOTXITB-ZBFHGGJFSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080146579 777465098 /nfs/dbraw/zinc/46/50/98/777465098.db2.gz NKKPVWRXOTXITB-ZBFHGGJFSA-N 1 3 338.496 0.728 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC001078479382 779949122 /nfs/dbraw/zinc/94/91/22/779949122.db2.gz XXANLCBTFQIDRL-JKSUJKDBSA-N 1 3 336.436 0.728 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CCCO2)cn1 ZINC001078498869 780021661 /nfs/dbraw/zinc/02/16/61/780021661.db2.gz QPIZCZQOBCUQNH-WBVHZDCISA-N 1 3 349.479 0.469 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CCCO2)cn1 ZINC001078498869 780021667 /nfs/dbraw/zinc/02/16/67/780021667.db2.gz QPIZCZQOBCUQNH-WBVHZDCISA-N 1 3 349.479 0.469 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001078503417 780033671 /nfs/dbraw/zinc/03/36/71/780033671.db2.gz JAPCNMNGSVUGMC-YJNKXOJESA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001078503417 780033683 /nfs/dbraw/zinc/03/36/83/780033683.db2.gz JAPCNMNGSVUGMC-YJNKXOJESA-N 1 3 326.485 0.678 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCc3cccnc3)C2)C1 ZINC001078508562 780050505 /nfs/dbraw/zinc/05/05/05/780050505.db2.gz SIDWJZCQMZCWPX-IRXDYDNUSA-N 1 3 332.448 0.740 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCc3cccnc3)C2)C1 ZINC001078508562 780050514 /nfs/dbraw/zinc/05/05/14/780050514.db2.gz SIDWJZCQMZCWPX-IRXDYDNUSA-N 1 3 332.448 0.740 20 0 ECADHO Cn1nncc1CN[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078783753 780489826 /nfs/dbraw/zinc/48/98/26/780489826.db2.gz NZXZWYSBUUIBJB-HUUCEWRRSA-N 1 3 344.463 0.428 20 0 ECADHO CC[C@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041626098 781878972 /nfs/dbraw/zinc/87/89/72/781878972.db2.gz PPVPQYXOJGGLPX-CRAIPNDOSA-N 1 3 336.480 0.517 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CCC2(C1)CCN([C@H]1CCNC1=O)CC2)C1CC1 ZINC001040726510 783335186 /nfs/dbraw/zinc/33/51/86/783335186.db2.gz JWQKNUFDMCAMPO-JKSUJKDBSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+]([C@H](CC)C(N)=O)CC2)N(C)C ZINC001040746076 783363345 /nfs/dbraw/zinc/36/33/45/783363345.db2.gz VNGRGCFCKPEJIE-HUUCEWRRSA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001037933470 783711163 /nfs/dbraw/zinc/71/11/63/783711163.db2.gz LUABQVTYPIJTQU-UKRRQHHQSA-N 1 3 333.436 0.401 20 0 ECADHO CC[C@@H](C(=O)NCC1(NC(=O)CC[NH+](C)C)CCOCC1)N(C)C ZINC001070238860 783720804 /nfs/dbraw/zinc/72/08/04/783720804.db2.gz ITFIZAPRFYQDCF-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001071054119 784490154 /nfs/dbraw/zinc/49/01/54/784490154.db2.gz ZQCAGFJFTOVAJT-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001071054119 784490159 /nfs/dbraw/zinc/49/01/59/784490159.db2.gz ZQCAGFJFTOVAJT-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001071054027 784490248 /nfs/dbraw/zinc/49/02/48/784490248.db2.gz WDHOMGPYISVZOG-WBVHZDCISA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001071343971 784984376 /nfs/dbraw/zinc/98/43/76/784984376.db2.gz NKNSSTDZDIHQNC-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001071343971 784984378 /nfs/dbraw/zinc/98/43/78/784984378.db2.gz NKNSSTDZDIHQNC-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001071344243 784984971 /nfs/dbraw/zinc/98/49/71/784984971.db2.gz XNCXKOSFLRMEMQ-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001071344243 784984976 /nfs/dbraw/zinc/98/49/76/784984976.db2.gz XNCXKOSFLRMEMQ-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001071346241 784986896 /nfs/dbraw/zinc/98/68/96/784986896.db2.gz JGSFAJJTNSTLAO-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001071346241 784986905 /nfs/dbraw/zinc/98/69/05/784986905.db2.gz JGSFAJJTNSTLAO-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001071346501 784987344 /nfs/dbraw/zinc/98/73/44/784987344.db2.gz SPQXPNXGICHEER-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001071346501 784987347 /nfs/dbraw/zinc/98/73/47/784987347.db2.gz SPQXPNXGICHEER-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072151729 785753056 /nfs/dbraw/zinc/75/30/56/785753056.db2.gz GFCMGDLJLBKKFD-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001072286505 785979356 /nfs/dbraw/zinc/97/93/56/785979356.db2.gz LGFOGXJWERTKDM-GDBMZVCRSA-N 1 3 338.496 0.632 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001072431752 786174476 /nfs/dbraw/zinc/17/44/76/786174476.db2.gz AFGJZJWQGWWOJA-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001072475097 786236750 /nfs/dbraw/zinc/23/67/50/786236750.db2.gz DRRAUDURIIXBIQ-CZUORRHYSA-N 1 3 349.479 0.956 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001072475097 786236757 /nfs/dbraw/zinc/23/67/57/786236757.db2.gz DRRAUDURIIXBIQ-CZUORRHYSA-N 1 3 349.479 0.956 20 0 ECADHO Cn1cc(CC[N@@H+]2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)cn1 ZINC001072542577 786347633 /nfs/dbraw/zinc/34/76/33/786347633.db2.gz WQIXFKPVQNCCIP-MRXNPFEDSA-N 1 3 331.464 0.591 20 0 ECADHO Cn1cc(CC[N@H+]2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)cn1 ZINC001072542577 786347635 /nfs/dbraw/zinc/34/76/35/786347635.db2.gz WQIXFKPVQNCCIP-MRXNPFEDSA-N 1 3 331.464 0.591 20 0 ECADHO C[C@H](O)CN1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677598 786949346 /nfs/dbraw/zinc/94/93/46/786949346.db2.gz LTRXPVZASLVUNS-LSDHHAIUSA-N 1 3 325.453 0.203 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)[C@@H]1C)N(C)C ZINC001074710007 787655642 /nfs/dbraw/zinc/65/56/42/787655642.db2.gz ZLUYWXNFCKEZPU-ZQDZILKHSA-N 1 3 334.468 0.685 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001072624457 788456776 /nfs/dbraw/zinc/45/67/76/788456776.db2.gz OJJCOGITNGMCRT-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCn1nncc1CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001074878152 788478357 /nfs/dbraw/zinc/47/83/57/788478357.db2.gz CPTGNJHTCNFBET-YCPHGPKFSA-N 1 3 334.468 0.719 20 0 ECADHO CCn1nncc1CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001074878152 788478360 /nfs/dbraw/zinc/47/83/60/788478360.db2.gz CPTGNJHTCNFBET-YCPHGPKFSA-N 1 3 334.468 0.719 20 0 ECADHO C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001075038730 788779538 /nfs/dbraw/zinc/77/95/38/788779538.db2.gz LCPITWRILGCJOO-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001072801343 788832990 /nfs/dbraw/zinc/83/29/90/788832990.db2.gz QDBWWBFTULMRDB-TZMCWYRMSA-N 1 3 333.436 0.257 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)[C@H](C4CC4)[NH+](C)C)C3)C2)C1=O ZINC001072815217 788870559 /nfs/dbraw/zinc/87/05/59/788870559.db2.gz UFFWCADYSNSTTI-HOTGVXAUSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)CCN1C(=O)CN1CCCC1 ZINC001075108717 788916667 /nfs/dbraw/zinc/91/66/67/788916667.db2.gz FOCDXNUJRKZOKW-BHYGNILZSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001075291145 789175371 /nfs/dbraw/zinc/17/53/71/789175371.db2.gz YVEWDGKNGPFNGG-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCN1CCCC1=O)C2 ZINC001072981724 789212900 /nfs/dbraw/zinc/21/29/00/789212900.db2.gz PGZBRKBALIEZTJ-JKSUJKDBSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCN1CCCC1=O)C2 ZINC001072981724 789212906 /nfs/dbraw/zinc/21/29/06/789212906.db2.gz PGZBRKBALIEZTJ-JKSUJKDBSA-N 1 3 348.491 0.341 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2 ZINC001073462205 789868343 /nfs/dbraw/zinc/86/83/43/789868343.db2.gz OOMUMESPTZCOJH-INIZCTEOSA-N 1 3 346.479 0.687 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001073462205 789868346 /nfs/dbraw/zinc/86/83/46/789868346.db2.gz OOMUMESPTZCOJH-INIZCTEOSA-N 1 3 346.479 0.687 20 0 ECADHO CCCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928447 790200182 /nfs/dbraw/zinc/20/01/82/790200182.db2.gz DXPPVRWJZUQBSJ-ZACQAIPSSA-N 1 3 346.479 0.762 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)CCC[NH+](C)C)N(C)C ZINC001067837477 792348555 /nfs/dbraw/zinc/34/85/55/792348555.db2.gz YPCVEPLAFIGHFN-HNNXBMFYSA-N 1 3 328.501 0.975 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001067837268 792349275 /nfs/dbraw/zinc/34/92/75/792349275.db2.gz HXRVIILCNACVAO-HNNXBMFYSA-N 1 3 340.512 0.975 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001067010362 792570424 /nfs/dbraw/zinc/57/04/24/792570424.db2.gz JYDQTENKCKNDMQ-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001067010362 792570440 /nfs/dbraw/zinc/57/04/40/792570440.db2.gz JYDQTENKCKNDMQ-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)CCC[NH+](C)C)C1 ZINC001068043969 792598307 /nfs/dbraw/zinc/59/83/07/792598307.db2.gz ZPWXBLGTYHFNDT-MRXNPFEDSA-N 1 3 340.512 0.977 20 0 ECADHO CCCNC(=O)CNCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267456281 837442030 /nfs/dbraw/zinc/44/20/30/837442030.db2.gz RTULUHFJEQCCOU-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H](C)CN2CCOCC2)ncn1 ZINC001267468839 837481544 /nfs/dbraw/zinc/48/15/44/837481544.db2.gz DJPFBFWRAOTXIJ-AWEZNQCLSA-N 1 3 335.452 0.301 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N[C@@H](C)C2CC2)CC[N@@H+]1C ZINC001266706194 836174235 /nfs/dbraw/zinc/17/42/35/836174235.db2.gz GLUBLMFMJZFZIV-CWRNSKLLSA-N 1 3 338.496 0.679 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N[C@@H](C)C2CC2)CC[N@H+]1C ZINC001266706194 836174241 /nfs/dbraw/zinc/17/42/41/836174241.db2.gz GLUBLMFMJZFZIV-CWRNSKLLSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001266815555 836339269 /nfs/dbraw/zinc/33/92/69/836339269.db2.gz XKDASEYRQIZHHX-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)N2CCCCC2)CC[N@H+]1C ZINC001266815555 836339282 /nfs/dbraw/zinc/33/92/82/836339282.db2.gz XKDASEYRQIZHHX-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001267058576 836695625 /nfs/dbraw/zinc/69/56/25/836695625.db2.gz SRUGUACFGLTYFE-NVXWUHKLSA-N 1 3 335.496 0.987 20 0 ECADHO CN(CCNCCS(C)(=O)=O)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001267117329 836812905 /nfs/dbraw/zinc/81/29/05/836812905.db2.gz QSKIZQNNRYFDDC-UHFFFAOYSA-N 1 3 341.477 0.454 20 0 ECADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CCCN1C)[NH+]1CCCC1 ZINC001408594903 837123151 /nfs/dbraw/zinc/12/31/51/837123151.db2.gz JAXJCBJYYQLPDY-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1nnc(CNCCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC001267917474 838787809 /nfs/dbraw/zinc/78/78/09/838787809.db2.gz IAYJLHWZZVSEFK-UHFFFAOYSA-N 1 3 346.479 0.927 20 0 ECADHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001267917765 838789624 /nfs/dbraw/zinc/78/96/24/838789624.db2.gz QERBIMCYSUKFJD-INIZCTEOSA-N 1 3 336.484 0.874 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000420036145 282182458 /nfs/dbraw/zinc/18/24/58/282182458.db2.gz FHHBRGAHEUIYFK-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCC1 ZINC000354683998 299096060 /nfs/dbraw/zinc/09/60/60/299096060.db2.gz MRINXEUBYGXKOZ-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354700489 299099795 /nfs/dbraw/zinc/09/97/95/299099795.db2.gz WPFRYUXRPFKQPX-IAGOWNOFSA-N 1 3 346.475 0.534 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423170179 290697571 /nfs/dbraw/zinc/69/75/71/290697571.db2.gz LEPGYXPULCFXDD-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)[C@@H]2C1 ZINC000425386867 210046580 /nfs/dbraw/zinc/04/65/80/210046580.db2.gz MRWZZHIHMSDBLK-YESZJQIVSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000355070072 299195636 /nfs/dbraw/zinc/19/56/36/299195636.db2.gz YKKCNIAIPKTYCX-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000355070072 299195639 /nfs/dbraw/zinc/19/56/39/299195639.db2.gz YKKCNIAIPKTYCX-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO CCOC(=O)[C@H]1CCCCN1C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345478 209354626 /nfs/dbraw/zinc/35/46/26/209354626.db2.gz VNNUGLBBAFGAKK-OWCLPIDISA-N 1 3 337.464 0.862 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420083482 209302077 /nfs/dbraw/zinc/30/20/77/209302077.db2.gz LFTGYDANDHCHCX-OWCLPIDISA-N 1 3 336.480 0.705 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N1CCC[C@@H](C)C1 ZINC000420074583 209298966 /nfs/dbraw/zinc/29/89/66/209298966.db2.gz QTNDMHPWYQXOEJ-IJEWVQPXSA-N 1 3 338.496 0.857 20 0 ECADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCCNCC1 ZINC000336655073 201088184 /nfs/dbraw/zinc/08/81/84/201088184.db2.gz IALWKZCJXIURIO-UHFFFAOYSA-N 1 3 344.459 0.589 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000419960718 209261286 /nfs/dbraw/zinc/26/12/86/209261286.db2.gz SOXHHITXESTGEO-HNNXBMFYSA-N 1 3 346.475 0.820 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419940763 209253808 /nfs/dbraw/zinc/25/38/08/209253808.db2.gz VFNAEERWWNJUFJ-CQSZACIVSA-N 1 3 336.436 0.428 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419917433 209249300 /nfs/dbraw/zinc/24/93/00/209249300.db2.gz SATOQWHQMKJTTE-DOTOQJQBSA-N 1 3 346.475 0.897 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419917433 209249303 /nfs/dbraw/zinc/24/93/03/209249303.db2.gz SATOQWHQMKJTTE-DOTOQJQBSA-N 1 3 346.475 0.897 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000419871612 209233109 /nfs/dbraw/zinc/23/31/09/209233109.db2.gz KOLIWDMBMQRGII-UHFFFAOYSA-N 1 3 334.464 0.611 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419873145 209233607 /nfs/dbraw/zinc/23/36/07/209233607.db2.gz YQARZEDULZZKJR-OAHLLOKOSA-N 1 3 326.485 0.683 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1=O ZINC000356250412 299370235 /nfs/dbraw/zinc/37/02/35/299370235.db2.gz FPAOUBFOHUTYLZ-YJBOKZPZSA-N 1 3 336.480 0.341 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1=O ZINC000356250412 299370240 /nfs/dbraw/zinc/37/02/40/299370240.db2.gz FPAOUBFOHUTYLZ-YJBOKZPZSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@@H]1C[NH3+] ZINC000419776403 209203386 /nfs/dbraw/zinc/20/33/86/209203386.db2.gz LYKQXXNRGNWMOV-KFWWJZLASA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)(N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262648938 245095833 /nfs/dbraw/zinc/09/58/33/245095833.db2.gz PYENRXQSRVPWKE-OAHLLOKOSA-N 1 3 332.448 0.737 20 0 ECADHO CC(C)(N)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262648938 245095839 /nfs/dbraw/zinc/09/58/39/245095839.db2.gz PYENRXQSRVPWKE-OAHLLOKOSA-N 1 3 332.448 0.737 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000262751267 245160889 /nfs/dbraw/zinc/16/08/89/245160889.db2.gz BYUWZLAJIKMXME-QGZVFWFLSA-N 1 3 334.464 0.911 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)CC1 ZINC000419699450 209177285 /nfs/dbraw/zinc/17/72/85/209177285.db2.gz RHMZGJKCZZULTN-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419699613 209176720 /nfs/dbraw/zinc/17/67/20/209176720.db2.gz WRCMSSKYQPYIKJ-HOCLYGCPSA-N 1 3 338.496 0.951 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000419698936 209175579 /nfs/dbraw/zinc/17/55/79/209175579.db2.gz QFULVOLTAVOJSQ-ARFHVFGLSA-N 1 3 338.496 0.870 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000419655318 209158654 /nfs/dbraw/zinc/15/86/54/209158654.db2.gz SQBXEZMDMRFODG-CZUORRHYSA-N 1 3 336.480 0.611 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000419655318 209158657 /nfs/dbraw/zinc/15/86/57/209158657.db2.gz SQBXEZMDMRFODG-CZUORRHYSA-N 1 3 336.480 0.611 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419594234 209134099 /nfs/dbraw/zinc/13/40/99/209134099.db2.gz URBOMEBRMDAGJE-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111869112 220214489 /nfs/dbraw/zinc/21/44/89/220214489.db2.gz UBJSLNIGNHSISU-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423626125 284579177 /nfs/dbraw/zinc/57/91/77/284579177.db2.gz RYWALHXFKNMXAZ-INIZCTEOSA-N 1 3 338.496 0.907 20 0 ECADHO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]1CN1CCCC1 ZINC000433391753 284773486 /nfs/dbraw/zinc/77/34/86/284773486.db2.gz WZOGCGGAUARNMU-HUUCEWRRSA-N 1 3 332.452 0.903 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419482295 209106407 /nfs/dbraw/zinc/10/64/07/209106407.db2.gz QACTXCZWEITAPE-ZNMIVQPWSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419482295 209106410 /nfs/dbraw/zinc/10/64/10/209106410.db2.gz QACTXCZWEITAPE-ZNMIVQPWSA-N 1 3 326.485 0.666 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416005766 285035121 /nfs/dbraw/zinc/03/51/21/285035121.db2.gz KEXCZHRMAZRHIS-QWRGUYRKSA-N 1 3 326.363 0.676 20 0 ECADHO CS[C@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1N(C)C ZINC000411418195 208098145 /nfs/dbraw/zinc/09/81/45/208098145.db2.gz HEGVONHJBJWPHC-HOTGVXAUSA-N 1 3 342.553 0.953 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000420425566 209364833 /nfs/dbraw/zinc/36/48/33/209364833.db2.gz UZDQNSOHNRVEQF-CQSZACIVSA-N 1 3 343.497 0.563 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOCCOc2ccccc2)C1 ZINC000430623055 210389884 /nfs/dbraw/zinc/38/98/84/210389884.db2.gz GHYXPZMOPXNSLN-MRXNPFEDSA-N 1 3 335.448 0.869 20 0 ECADHO [NH3+]C[C@@H]1CCCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430653375 210396250 /nfs/dbraw/zinc/39/62/50/210396250.db2.gz ZCNULPUSXWMCAO-INIZCTEOSA-N 1 3 331.464 0.791 20 0 ECADHO C[NH2+]CCCN(C)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420466795 209371847 /nfs/dbraw/zinc/37/18/47/209371847.db2.gz BVXHSMMCMRLDED-UHFFFAOYSA-N 1 3 331.486 0.292 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@H]1CCCN1CCCO ZINC000418620091 208830898 /nfs/dbraw/zinc/83/08/98/208830898.db2.gz QJRKXXUDVVRNGL-HUUCEWRRSA-N 1 3 326.485 0.911 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419174817 209011883 /nfs/dbraw/zinc/01/18/83/209011883.db2.gz WQSIUXZGIWKCPQ-SJORKVTESA-N 1 3 346.475 0.819 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419175945 209013352 /nfs/dbraw/zinc/01/33/52/209013352.db2.gz YJFIXBAHRNTNDQ-ARFHVFGLSA-N 1 3 338.496 0.871 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000419220542 209030654 /nfs/dbraw/zinc/03/06/54/209030654.db2.gz VBBXUMHWFPJSTI-UHFFFAOYSA-N 1 3 336.436 0.097 20 0 ECADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCCNCC2)c1 ZINC000419265779 209045114 /nfs/dbraw/zinc/04/51/14/209045114.db2.gz FCOXJEWBXAPTTA-UHFFFAOYSA-N 1 3 346.475 0.967 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419226006 209032230 /nfs/dbraw/zinc/03/22/30/209032230.db2.gz ICHBNXGDJGDSHZ-APWZRJJASA-N 1 3 348.491 0.579 20 0 ECADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419227833 209033139 /nfs/dbraw/zinc/03/31/39/209033139.db2.gz LIOHEZITEISPAF-ARFHVFGLSA-N 1 3 336.480 0.611 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000444573788 285315543 /nfs/dbraw/zinc/31/55/43/285315543.db2.gz GCLRWSZFQWIJIV-INIZCTEOSA-N 1 3 340.512 0.318 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)c(C)c2)CC1 ZINC000269244398 135628676 /nfs/dbraw/zinc/62/86/76/135628676.db2.gz CRIGQLAIJKUCDU-RDJZCZTQSA-N 1 3 332.448 0.798 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000358521819 299731487 /nfs/dbraw/zinc/73/14/87/299731487.db2.gz PNQMRQJOIBVQFS-BZUAXINKSA-N 1 3 325.501 0.604 20 0 ECADHO CC(C)OCC[NH+]1CCC(NC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188788862 165002262 /nfs/dbraw/zinc/00/22/62/165002262.db2.gz GIPZMXXNXNYJGQ-UHFFFAOYSA-N 1 3 335.452 0.675 20 0 ECADHO CC(CN(C)C1(CO)CCOCC1)C[N@H+](C)C1(CO)CCOCC1 ZINC000191032228 165029112 /nfs/dbraw/zinc/02/91/12/165029112.db2.gz UYAQQYAQAVNOPO-UHFFFAOYSA-N 1 3 344.496 0.569 20 0 ECADHO CC(CN(C)C1(CO)CCOCC1)C[N@@H+](C)C1(CO)CCOCC1 ZINC000191032228 165029114 /nfs/dbraw/zinc/02/91/14/165029114.db2.gz UYAQQYAQAVNOPO-UHFFFAOYSA-N 1 3 344.496 0.569 20 0 ECADHO NS(=O)(=O)c1ccc(OCCN2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])cc1 ZINC000261808506 165245194 /nfs/dbraw/zinc/24/51/94/165245194.db2.gz GFHIFXRNQIGUBX-UHOFOFEASA-N 1 3 339.461 0.772 20 0 ECADHO O=C(C[C@@H]1CSCCN1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261913590 165262313 /nfs/dbraw/zinc/26/23/13/165262313.db2.gz UDOVRUNAONUOFD-GHMZBOCLSA-N 1 3 340.415 0.034 20 0 ECADHO CN(C)C(=O)COc1ccccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262074433 165286055 /nfs/dbraw/zinc/28/60/55/165286055.db2.gz DBIDTCJHFFYCLX-QGZVFWFLSA-N 1 3 346.475 0.633 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262411814 165345751 /nfs/dbraw/zinc/34/57/51/165345751.db2.gz ABSGEHTWFBXGTP-CABCVRRESA-N 1 3 335.452 0.648 20 0 ECADHO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419404364 209083013 /nfs/dbraw/zinc/08/30/13/209083013.db2.gz GBVYYIKFKNFMLB-KBPBESRZSA-N 1 3 340.468 0.064 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000419412016 209085277 /nfs/dbraw/zinc/08/52/77/209085277.db2.gz QIBGKKHRWUWUBO-HRCADAONSA-N 1 3 336.480 0.339 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419413194 209086759 /nfs/dbraw/zinc/08/67/59/209086759.db2.gz DDDUCTVDXGQIOF-OAHLLOKOSA-N 1 3 346.475 0.523 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@@H]1N(C)C ZINC000331771573 296967609 /nfs/dbraw/zinc/96/76/09/296967609.db2.gz QEXHHUJNVMEMGP-UGUYLWEFSA-N 1 3 336.480 0.243 20 0 ECADHO COCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000273046809 263390689 /nfs/dbraw/zinc/39/06/89/263390689.db2.gz FQZURBYXOFQVGA-GOSISDBHSA-N 1 3 348.491 0.788 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415770892 273797228 /nfs/dbraw/zinc/79/72/28/273797228.db2.gz ZEGGGVCKYFZIDB-HOTGVXAUSA-N 1 3 344.459 0.797 20 0 ECADHO NS(=O)(=O)c1ccc2c(c1)[C@H](NCCN1CC[NH2+]CC1)CCC2 ZINC000423203438 274954581 /nfs/dbraw/zinc/95/45/81/274954581.db2.gz MSABKHXPLIKIDL-MRXNPFEDSA-N 1 3 338.477 0.206 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418834260 276240069 /nfs/dbraw/zinc/24/00/69/276240069.db2.gz XUBDDYHPTUWBMT-AWEZNQCLSA-N 1 3 326.485 0.858 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000236841420 276321729 /nfs/dbraw/zinc/32/17/29/276321729.db2.gz GFWJPAJEEZXPLO-OAHLLOKOSA-N 1 3 336.480 0.389 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000236833021 276371150 /nfs/dbraw/zinc/37/11/50/276371150.db2.gz UOEJNACUFBQBEA-OWCLPIDISA-N 1 3 336.480 0.435 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000418851412 277300620 /nfs/dbraw/zinc/30/06/20/277300620.db2.gz PUTOYYNQIQGCTF-JKSUJKDBSA-N 1 3 332.448 0.096 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000419195424 278182841 /nfs/dbraw/zinc/18/28/41/278182841.db2.gz VBBASLNORINIKA-OAHLLOKOSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419126643 278254650 /nfs/dbraw/zinc/25/46/50/278254650.db2.gz XPKUSOSGFMZUFD-YJBOKZPZSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H](CN1C[C@@H](C(N)=O)CC[C@@H]1C)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000247228830 278266464 /nfs/dbraw/zinc/26/64/64/278266464.db2.gz XMNBPMKPBVVEKQ-GVRJEKJASA-N 1 3 338.496 0.794 20 0 ECADHO C[C@H](CN1C[C@@H](C(N)=O)CC[C@@H]1C)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000247228830 278266466 /nfs/dbraw/zinc/26/64/66/278266466.db2.gz XMNBPMKPBVVEKQ-GVRJEKJASA-N 1 3 338.496 0.794 20 0 ECADHO C[C@@H](CN1C[C@H](C(N)=O)CC[C@@H]1C)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000247228830 278266467 /nfs/dbraw/zinc/26/64/67/278266467.db2.gz XMNBPMKPBVVEKQ-GVRJEKJASA-N 1 3 338.496 0.794 20 0 ECADHO C[C@@H](CN1C[C@H](C(N)=O)CC[C@@H]1C)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000247228830 278266468 /nfs/dbraw/zinc/26/64/68/278266468.db2.gz XMNBPMKPBVVEKQ-GVRJEKJASA-N 1 3 338.496 0.794 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423058346 278856858 /nfs/dbraw/zinc/85/68/58/278856858.db2.gz BVUVEOQHQDYFEB-XHSDSOJGSA-N 1 3 338.496 0.618 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419708425 278976139 /nfs/dbraw/zinc/97/61/39/278976139.db2.gz FZFYOMPJHGKRQE-GJZGRUSLSA-N 1 3 326.485 0.857 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418608249 279087721 /nfs/dbraw/zinc/08/77/21/279087721.db2.gz RMZZESVEAURTHY-LSDHHAIUSA-N 1 3 339.484 0.323 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C(C)C ZINC000420027084 279191462 /nfs/dbraw/zinc/19/14/62/279191462.db2.gz CCKRDAAZOJUMIU-OLZOCXBDSA-N 1 3 328.457 0.062 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C(C)C ZINC000420027084 279191463 /nfs/dbraw/zinc/19/14/63/279191463.db2.gz CCKRDAAZOJUMIU-OLZOCXBDSA-N 1 3 328.457 0.062 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000446395187 279306394 /nfs/dbraw/zinc/30/63/94/279306394.db2.gz BYIPDWPASGRVGJ-LVQVYYBASA-N 1 3 336.480 0.705 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000449740704 279331089 /nfs/dbraw/zinc/33/10/89/279331089.db2.gz HESJWHANEKNGAL-WCVJEAGWSA-N 1 3 334.464 0.140 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000263254675 280274383 /nfs/dbraw/zinc/27/43/83/280274383.db2.gz QCLGFGTYXYMWQJ-ZBFHGGJFSA-N 1 3 326.485 0.713 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423738168 289134613 /nfs/dbraw/zinc/13/46/13/289134613.db2.gz BTLWQAYJWVODLM-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000418871911 289187111 /nfs/dbraw/zinc/18/71/11/289187111.db2.gz FPMXHPUDCTVBDJ-APWZRJJASA-N 1 3 346.475 0.473 20 0 ECADHO CN(C)C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000354686027 289187772 /nfs/dbraw/zinc/18/77/72/289187772.db2.gz ZFVPSGDFHARMCP-JKSUJKDBSA-N 1 3 332.448 0.664 20 0 ECADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000332105867 297002798 /nfs/dbraw/zinc/00/27/98/297002798.db2.gz UEDFCHOOBDEDEI-LSDHHAIUSA-N 1 3 336.480 0.849 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000332573765 297054302 /nfs/dbraw/zinc/05/43/02/297054302.db2.gz DYVGOSMIBYLZMW-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC1 ZINC000332602454 297056822 /nfs/dbraw/zinc/05/68/22/297056822.db2.gz JJSHXIFUXOZPAI-ZBFHGGJFSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332674003 297064440 /nfs/dbraw/zinc/06/44/40/297064440.db2.gz NPQPQPAVRMWTPK-XHSDSOJGSA-N 1 3 336.480 0.802 20 0 ECADHO [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCCN1CCCO)C(F)(F)F ZINC000416042310 295236163 /nfs/dbraw/zinc/23/61/63/295236163.db2.gz JTTITFVLQYENAM-GHMZBOCLSA-N 1 3 326.363 0.412 20 0 ECADHO [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)C(F)(F)F ZINC000416042314 295238806 /nfs/dbraw/zinc/23/88/06/295238806.db2.gz JTTITFVLQYENAM-QWRGUYRKSA-N 1 3 326.363 0.412 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419694530 295249623 /nfs/dbraw/zinc/24/96/23/295249623.db2.gz KOZVSZXATKYJGJ-OFQRWUPVSA-N 1 3 336.480 0.753 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1=O ZINC000360144029 299941202 /nfs/dbraw/zinc/94/12/02/299941202.db2.gz SPQIMJCAPMFGJV-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333828433 297151184 /nfs/dbraw/zinc/15/11/84/297151184.db2.gz SJFJOTYJOBTVMN-DLBZAZTESA-N 1 3 335.496 0.692 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000338532054 297276173 /nfs/dbraw/zinc/27/61/73/297276173.db2.gz YKBCXYKWNPBNRE-HNNXBMFYSA-N 1 3 341.500 0.569 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000338532054 297276175 /nfs/dbraw/zinc/27/61/75/297276175.db2.gz YKBCXYKWNPBNRE-HNNXBMFYSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000339746072 297377146 /nfs/dbraw/zinc/37/71/46/297377146.db2.gz VMAQNRWOFCTIBQ-CQSZACIVSA-N 1 3 334.464 0.821 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000339751830 297378617 /nfs/dbraw/zinc/37/86/17/297378617.db2.gz URKKYMLWUHBDRL-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422974899 297556581 /nfs/dbraw/zinc/55/65/81/297556581.db2.gz RZGRVHMBPLDUEH-GFJIZPEISA-N 1 3 340.468 0.205 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343520452 297891315 /nfs/dbraw/zinc/89/13/15/297891315.db2.gz PVIZLTLCESYXPE-BRWVUGGUSA-N 1 3 339.528 0.994 20 0 ECADHO CN1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000345062249 298112467 /nfs/dbraw/zinc/11/24/67/298112467.db2.gz IWWNZFLYALWKPP-KSZLIROESA-N 1 3 328.460 0.938 20 0 ECADHO CN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000345062249 298112470 /nfs/dbraw/zinc/11/24/70/298112470.db2.gz IWWNZFLYALWKPP-KSZLIROESA-N 1 3 328.460 0.938 20 0 ECADHO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC2(CC[NH2+]C2)CC1 ZINC000431044176 298124034 /nfs/dbraw/zinc/12/40/34/298124034.db2.gz VADCTVAGJUXCOJ-SNVBAGLBSA-N 1 3 336.358 0.839 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC000347046783 298393823 /nfs/dbraw/zinc/39/38/23/298393823.db2.gz PDNTYBVKUIIJNR-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351684179 298816438 /nfs/dbraw/zinc/81/64/38/298816438.db2.gz PYYFZWACKUACPL-LSDHHAIUSA-N 1 3 326.485 0.774 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000353334709 299039896 /nfs/dbraw/zinc/03/98/96/299039896.db2.gz FXZPZLDNCIBXNT-CVEARBPZSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC000353334709 299039898 /nfs/dbraw/zinc/03/98/98/299039898.db2.gz FXZPZLDNCIBXNT-CVEARBPZSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)CN1CCN(C)CC1 ZINC000362571526 300200286 /nfs/dbraw/zinc/20/02/86/300200286.db2.gz YUPXCPRNSYJDHG-ZIAGYGMSSA-N 1 3 334.468 0.100 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425395476 300217727 /nfs/dbraw/zinc/21/77/27/300217727.db2.gz XUQCJHUIQAPJQK-CAOSSQGBSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425395476 300217729 /nfs/dbraw/zinc/21/77/29/300217729.db2.gz XUQCJHUIQAPJQK-CAOSSQGBSA-N 1 3 336.480 0.338 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C(=O)NCCN(C)C ZINC000362962739 300236781 /nfs/dbraw/zinc/23/67/81/300236781.db2.gz GJSLHIYILQHHJU-ZNMIVQPWSA-N 1 3 326.485 0.393 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C(=O)NCCN(C)C ZINC000362962739 300236783 /nfs/dbraw/zinc/23/67/83/300236783.db2.gz GJSLHIYILQHHJU-ZNMIVQPWSA-N 1 3 326.485 0.393 20 0 ECADHO [NH3+][C@H]1CN(C(=O)c2[nH]nc3c2CNCC3)C[C@@H]1c1ccc(F)cc1 ZINC000364133684 300328583 /nfs/dbraw/zinc/32/85/83/300328583.db2.gz ZJGXBIZCLLNCSI-KGLIPLIRSA-N 1 3 329.379 0.761 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)CN1CCN(C)CC1 ZINC000074656615 436132258 /nfs/dbraw/zinc/13/22/58/436132258.db2.gz UQIPCABOUTUABW-IAGOWNOFSA-N 1 3 337.512 0.750 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000074659971 436134908 /nfs/dbraw/zinc/13/49/08/436134908.db2.gz YFPHKBXPMFOYGD-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074158844 436112121 /nfs/dbraw/zinc/11/21/21/436112121.db2.gz RRFHZAWHHUYLDF-JKSUJKDBSA-N 1 3 338.496 0.587 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074158844 436112128 /nfs/dbraw/zinc/11/21/28/436112128.db2.gz RRFHZAWHHUYLDF-JKSUJKDBSA-N 1 3 338.496 0.587 20 0 ECADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074157324 436112427 /nfs/dbraw/zinc/11/24/27/436112427.db2.gz NACWWLXXHDMYMX-HOTGVXAUSA-N 1 3 338.496 0.587 20 0 ECADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074194270 436112963 /nfs/dbraw/zinc/11/29/63/436112963.db2.gz LYQKXOLSSLCNMO-OAHLLOKOSA-N 1 3 338.496 0.728 20 0 ECADHO CC1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074187094 436115022 /nfs/dbraw/zinc/11/50/22/436115022.db2.gz RAPIMVPFMDUZPN-MRXNPFEDSA-N 1 3 338.496 0.635 20 0 ECADHO CN1CC[C@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)[C@@H]2C1 ZINC000376823329 301295579 /nfs/dbraw/zinc/29/55/79/301295579.db2.gz OMUQFZUIZZJBCZ-DOTOQJQBSA-N 1 3 337.512 0.748 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000377807133 301377914 /nfs/dbraw/zinc/37/79/14/301377914.db2.gz NTXLOWPZDCOKMY-DOTOQJQBSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000509828715 301604071 /nfs/dbraw/zinc/60/40/71/301604071.db2.gz VCYYTBPIQQVJNF-ZOBUZTSGSA-N 1 3 340.512 0.960 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C(C)(C)C[NH+](C)C ZINC000515395119 301640946 /nfs/dbraw/zinc/64/09/46/301640946.db2.gz GSAUHQSOODFCIR-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCN2CCCCC2)C1 ZINC000105062122 436566821 /nfs/dbraw/zinc/56/68/21/436566821.db2.gz DXSZCYJACBXHDQ-HNNXBMFYSA-N 1 3 339.484 0.359 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCN2CCCCC2)C1 ZINC000105062122 436566825 /nfs/dbraw/zinc/56/68/25/436566825.db2.gz DXSZCYJACBXHDQ-HNNXBMFYSA-N 1 3 339.484 0.359 20 0 ECADHO CN(C)S(=O)(=O)CCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238537 301998965 /nfs/dbraw/zinc/99/89/65/301998965.db2.gz ALEZIUIPLSDFRY-OAHLLOKOSA-N 1 3 333.498 0.358 20 0 ECADHO C[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)CN1CCN(C)CC1 ZINC000542786553 302205245 /nfs/dbraw/zinc/20/52/45/302205245.db2.gz MNHDIJYXWIPCSA-MRXNPFEDSA-N 1 3 333.480 0.908 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC000548813327 302328204 /nfs/dbraw/zinc/32/82/04/302328204.db2.gz LVSBVNPRESJYCW-BZUAXINKSA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000549583775 302339881 /nfs/dbraw/zinc/33/98/81/302339881.db2.gz IFYDQPMNISWZET-OAHLLOKOSA-N 1 3 336.484 0.932 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccccc1 ZINC000549819130 302341959 /nfs/dbraw/zinc/34/19/59/302341959.db2.gz JVMATAIKRAYWLU-UHFFFAOYSA-N 1 3 334.464 0.597 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CC2CC[NH2+]CC2)c1 ZINC000237173087 436725685 /nfs/dbraw/zinc/72/56/85/436725685.db2.gz RUNZKEOASQONJO-UHFFFAOYSA-N 1 3 346.475 0.984 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000246659441 436783205 /nfs/dbraw/zinc/78/32/05/436783205.db2.gz DEKCOEJTUIOAIO-IAGOWNOFSA-N 1 3 339.480 0.857 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000246659441 436783208 /nfs/dbraw/zinc/78/32/08/436783208.db2.gz DEKCOEJTUIOAIO-IAGOWNOFSA-N 1 3 339.480 0.857 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000129454288 436826298 /nfs/dbraw/zinc/82/62/98/436826298.db2.gz IWPSFHZLYAZZKE-HNNXBMFYSA-N 1 3 325.501 0.606 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261912195 436896073 /nfs/dbraw/zinc/89/60/73/436896073.db2.gz XRSJTQVEAGPDLY-KRWDZBQOSA-N 1 3 335.448 0.997 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000420439577 302805908 /nfs/dbraw/zinc/80/59/08/302805908.db2.gz BFNRUVUDIQYDES-KGLIPLIRSA-N 1 3 343.497 0.467 20 0 ECADHO CC[N@@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000164246962 436930182 /nfs/dbraw/zinc/93/01/82/436930182.db2.gz ZBOLPCCNJKIGAQ-SJORKVTESA-N 1 3 332.496 0.919 20 0 ECADHO CC[N@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000164246962 436930187 /nfs/dbraw/zinc/93/01/87/436930187.db2.gz ZBOLPCCNJKIGAQ-SJORKVTESA-N 1 3 332.496 0.919 20 0 ECADHO COCCNCC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166614202 436939480 /nfs/dbraw/zinc/93/94/80/436939480.db2.gz STVJGNGXZVYYMA-IYBDPMFKSA-N 1 3 326.485 0.239 20 0 ECADHO COCCNCC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166614202 436939483 /nfs/dbraw/zinc/93/94/83/436939483.db2.gz STVJGNGXZVYYMA-IYBDPMFKSA-N 1 3 326.485 0.239 20 0 ECADHO CC(=O)N1CCN(CC[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000294236547 436943339 /nfs/dbraw/zinc/94/33/39/436943339.db2.gz OTOSAXFSJPWATP-UHFFFAOYSA-N 1 3 331.464 0.804 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000281057116 436943442 /nfs/dbraw/zinc/94/34/42/436943442.db2.gz JPHQFZCAWZTEFI-VQIMIIECSA-N 1 3 346.475 0.864 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000332004423 437194459 /nfs/dbraw/zinc/19/44/59/437194459.db2.gz WMIZTBMXPQHZAV-YHUYYLMFSA-N 1 3 336.480 0.372 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423225845 303531726 /nfs/dbraw/zinc/53/17/26/303531726.db2.gz OLCYEUJUOOLCSC-ZACQAIPSSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000332591902 437234038 /nfs/dbraw/zinc/23/40/38/437234038.db2.gz GJTWEAJJVAFEFC-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179283397 437257915 /nfs/dbraw/zinc/25/79/15/437257915.db2.gz RGVXWWKWZKBTLJ-UHFFFAOYSA-N 1 3 339.528 0.996 20 0 ECADHO CN1CCN(CCNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1(C)C ZINC000333800708 437286388 /nfs/dbraw/zinc/28/63/88/437286388.db2.gz OBFAHIZUCIYWJU-JYJNAYRXSA-N 1 3 337.512 0.781 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000288724614 437349079 /nfs/dbraw/zinc/34/90/79/437349079.db2.gz TXHIWXWODVVEFG-NVXWUHKLSA-N 1 3 346.475 0.643 20 0 ECADHO [NH3+][C@H]1CC[C@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000269244871 437473758 /nfs/dbraw/zinc/47/37/58/437473758.db2.gz DAYPRQKJECHZGG-HOTGVXAUSA-N 1 3 331.464 0.837 20 0 ECADHO CN1CCC(n2ccc(NC(=O)N3CC[C@H](C[NH+](C)C)C3)n2)CC1 ZINC000330214045 437469260 /nfs/dbraw/zinc/46/92/60/437469260.db2.gz LJKCTIKKKAGZBH-CQSZACIVSA-N 1 3 334.468 1.565 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000360160715 437541741 /nfs/dbraw/zinc/54/17/41/437541741.db2.gz FESKYHQAVCUPBT-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000360160715 437541744 /nfs/dbraw/zinc/54/17/44/437541744.db2.gz FESKYHQAVCUPBT-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000353993547 437501670 /nfs/dbraw/zinc/50/16/70/437501670.db2.gz UFYOHGWEPPZUOB-SJORKVTESA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343151081 437517021 /nfs/dbraw/zinc/51/70/21/437517021.db2.gz MRVCQJPAUODSPO-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343151081 437517024 /nfs/dbraw/zinc/51/70/24/437517024.db2.gz MRVCQJPAUODSPO-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000339669022 437488701 /nfs/dbraw/zinc/48/87/01/437488701.db2.gz JBOYLOKACCRKDO-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000331045229 437676484 /nfs/dbraw/zinc/67/64/84/437676484.db2.gz FLSMTORMPZLVOJ-ZMSDIMECSA-N 1 3 327.469 0.258 20 0 ECADHO CCOC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000331045229 437676491 /nfs/dbraw/zinc/67/64/91/437676491.db2.gz FLSMTORMPZLVOJ-ZMSDIMECSA-N 1 3 327.469 0.258 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000340513275 437680180 /nfs/dbraw/zinc/68/01/80/437680180.db2.gz XQHHQAGHGCCMRG-WBVHZDCISA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000340513275 437680188 /nfs/dbraw/zinc/68/01/88/437680188.db2.gz XQHHQAGHGCCMRG-WBVHZDCISA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000343920725 437698483 /nfs/dbraw/zinc/69/84/83/437698483.db2.gz HOJYPDXSTAJGJC-HZPDHXFCSA-N 1 3 346.541 0.226 20 0 ECADHO C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000343920725 437698487 /nfs/dbraw/zinc/69/84/87/437698487.db2.gz HOJYPDXSTAJGJC-HZPDHXFCSA-N 1 3 346.541 0.226 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000423582826 437768003 /nfs/dbraw/zinc/76/80/03/437768003.db2.gz BCSOPSMDMVSUJI-CABCVRRESA-N 1 3 326.485 0.759 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000423761786 437824910 /nfs/dbraw/zinc/82/49/10/437824910.db2.gz SJZFCHILYRXBIH-KRWDZBQOSA-N 1 3 325.453 0.910 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCCC[NH3+])cc1Cl ZINC000415289340 437775908 /nfs/dbraw/zinc/77/59/08/437775908.db2.gz BYTUEBFMQUFGNS-UHFFFAOYSA-N 1 3 342.827 0.684 20 0 ECADHO CCN(CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)C1CC1 ZINC000356526708 437779177 /nfs/dbraw/zinc/77/91/77/437779177.db2.gz OPMJRHWNFPBBRO-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000356526708 437779182 /nfs/dbraw/zinc/77/91/82/437779182.db2.gz OPMJRHWNFPBBRO-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)ccc1OCCN(C)C ZINC000415314201 437779790 /nfs/dbraw/zinc/77/97/90/437779790.db2.gz JEZIPWBTZVKANU-OAHLLOKOSA-N 1 3 348.447 0.742 20 0 ECADHO CN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CNC1 ZINC000415730517 437849025 /nfs/dbraw/zinc/84/90/25/437849025.db2.gz DQULZCDKBVFATH-UHFFFAOYSA-N 1 3 330.432 0.694 20 0 ECADHO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000365504171 437924976 /nfs/dbraw/zinc/92/49/76/437924976.db2.gz BOLMRXHCXDFTBU-QFFNXGRFSA-N 1 3 339.461 0.460 20 0 ECADHO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000365504171 437924982 /nfs/dbraw/zinc/92/49/82/437924982.db2.gz BOLMRXHCXDFTBU-QFFNXGRFSA-N 1 3 339.461 0.460 20 0 ECADHO C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1=CCN(C)CC1 ZINC000357041554 437894559 /nfs/dbraw/zinc/89/45/59/437894559.db2.gz POBWCVHNUZZCBV-LNRIEFBSSA-N 1 3 348.491 0.885 20 0 ECADHO C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1=CCN(C)CC1 ZINC000357041554 437894563 /nfs/dbraw/zinc/89/45/63/437894563.db2.gz POBWCVHNUZZCBV-LNRIEFBSSA-N 1 3 348.491 0.885 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000341994243 437934503 /nfs/dbraw/zinc/93/45/03/437934503.db2.gz AVEBLFYYYLBCKI-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000341994243 437934508 /nfs/dbraw/zinc/93/45/08/437934508.db2.gz AVEBLFYYYLBCKI-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000342039915 437948505 /nfs/dbraw/zinc/94/85/05/437948505.db2.gz OWQPLLFMYNGSCY-HOCLYGCPSA-N 1 3 336.480 0.744 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000342039915 437948509 /nfs/dbraw/zinc/94/85/09/437948509.db2.gz OWQPLLFMYNGSCY-HOCLYGCPSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC[N@@H+]1C ZINC000347983307 437988850 /nfs/dbraw/zinc/98/88/50/437988850.db2.gz UXSZWKPVQXZSSA-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC[N@H+]1C ZINC000347983307 437988863 /nfs/dbraw/zinc/98/88/63/437988863.db2.gz UXSZWKPVQXZSSA-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)NCC2C[NH2+]C2)CC1 ZINC000416999764 438014189 /nfs/dbraw/zinc/01/41/89/438014189.db2.gz YDIYVYJSODMSNF-UHFFFAOYSA-N 1 3 345.491 0.843 20 0 ECADHO COCCN(C)CCCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417089028 438022028 /nfs/dbraw/zinc/02/20/28/438022028.db2.gz INKPVRHIIKGWLB-HZPDHXFCSA-N 1 3 326.485 0.986 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417195650 438029958 /nfs/dbraw/zinc/02/99/58/438029958.db2.gz OCZMOZGAORQKBJ-IRXDYDNUSA-N 1 3 334.464 0.919 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417285297 438036625 /nfs/dbraw/zinc/03/66/25/438036625.db2.gz LHBLLFINQRPYQX-ZIAGYGMSSA-N 1 3 325.457 0.110 20 0 ECADHO COCCN(C)CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417437141 438047772 /nfs/dbraw/zinc/04/77/72/438047772.db2.gz GOTNICBIUNTELI-UHFFFAOYSA-N 1 3 341.500 0.080 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000416981188 438011679 /nfs/dbraw/zinc/01/16/79/438011679.db2.gz VAEUWJOONXPTIW-UHFFFAOYSA-N 1 3 325.501 0.973 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CN1C1CC1 ZINC000417861150 438085391 /nfs/dbraw/zinc/08/53/91/438085391.db2.gz XFQFXEDYNOFXJO-MGPQQGTHSA-N 1 3 337.468 0.108 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000348759750 438094537 /nfs/dbraw/zinc/09/45/37/438094537.db2.gz CLGDGPSFYVNRRQ-HOCLYGCPSA-N 1 3 336.480 0.696 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000357971131 438111736 /nfs/dbraw/zinc/11/17/36/438111736.db2.gz FSDKQBSDXZHRQI-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000357977897 438113390 /nfs/dbraw/zinc/11/33/90/438113390.db2.gz VXLKMMLKLLYURK-MQVJKMGUSA-N 1 3 338.496 0.966 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000357977897 438113393 /nfs/dbraw/zinc/11/33/93/438113393.db2.gz VXLKMMLKLLYURK-MQVJKMGUSA-N 1 3 338.496 0.966 20 0 ECADHO COCCCN(C)CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000430807982 438124032 /nfs/dbraw/zinc/12/40/32/438124032.db2.gz WLGTYSQEZMMISA-UHFFFAOYSA-N 1 3 338.456 0.209 20 0 ECADHO O=C(CNC(=O)NC[C@@H]1CCC[NH2+]C1)NCCN1CCCCCC1 ZINC000418323728 438131435 /nfs/dbraw/zinc/13/14/35/438131435.db2.gz VCGKPIIKXGVAME-OAHLLOKOSA-N 1 3 339.484 0.277 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418377355 438138879 /nfs/dbraw/zinc/13/88/79/438138879.db2.gz ZEOPCJRBMGAUAT-CRAIPNDOSA-N 1 3 334.464 0.778 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000431034842 438142775 /nfs/dbraw/zinc/14/27/75/438142775.db2.gz AJQMPEGBACFMOC-MRXNPFEDSA-N 1 3 327.469 0.714 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418446282 438146349 /nfs/dbraw/zinc/14/63/49/438146349.db2.gz PFOLOYTWKZBDHN-OAHLLOKOSA-N 1 3 341.500 0.651 20 0 ECADHO [NH3+]C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000418477721 438149473 /nfs/dbraw/zinc/14/94/73/438149473.db2.gz UTQJEWBPWKSIOQ-BZSNNMDCSA-N 1 3 346.475 0.906 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000349772215 438179714 /nfs/dbraw/zinc/17/97/14/438179714.db2.gz CGFWOSRDFQJLPY-MRXNPFEDSA-N 1 3 336.480 0.578 20 0 ECADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418787837 438188133 /nfs/dbraw/zinc/18/81/33/438188133.db2.gz KGFRXKODBWDSJZ-HUUCEWRRSA-N 1 3 339.484 0.405 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000418799185 438191896 /nfs/dbraw/zinc/19/18/96/438191896.db2.gz TYZSLCFHRGUWFL-MWDXBVQZSA-N 1 3 338.496 0.767 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000358101460 438151083 /nfs/dbraw/zinc/15/10/83/438151083.db2.gz RLQUONXMQXEWIR-GJZGRUSLSA-N 1 3 335.514 0.652 20 0 ECADHO [NH3+]CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418508941 438153359 /nfs/dbraw/zinc/15/33/59/438153359.db2.gz LQVNPUNACOTGPT-IRXDYDNUSA-N 1 3 334.464 0.908 20 0 ECADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418585700 438162255 /nfs/dbraw/zinc/16/22/55/438162255.db2.gz DTSQKZSNJWZKJL-ZIAGYGMSSA-N 1 3 333.436 0.920 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418606472 438166177 /nfs/dbraw/zinc/16/61/77/438166177.db2.gz ZJAKGMZYCIIQQI-CABCVRRESA-N 1 3 339.484 0.276 20 0 ECADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000418647596 438171281 /nfs/dbraw/zinc/17/12/81/438171281.db2.gz GTZKALQUEIUZGW-SJLPKXTDSA-N 1 3 345.491 0.938 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000418849193 438214436 /nfs/dbraw/zinc/21/44/36/438214436.db2.gz CUVVASDQSOZBGA-INIZCTEOSA-N 1 3 332.448 0.144 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000418864560 438225005 /nfs/dbraw/zinc/22/50/05/438225005.db2.gz QYQRGFFETBRPKP-HOTGVXAUSA-N 1 3 332.448 0.664 20 0 ECADHO C[C@H]1CN(CCCNC(=O)CCCN2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000433116894 438225818 /nfs/dbraw/zinc/22/58/18/438225818.db2.gz NFXDYVLHTSAFKM-HOTGVXAUSA-N 1 3 340.512 0.805 20 0 ECADHO COCCNCCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418898865 438239850 /nfs/dbraw/zinc/23/98/50/438239850.db2.gz JPFAWGZUJYBCOK-UHFFFAOYSA-N 1 3 342.484 0.109 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433399322 438244886 /nfs/dbraw/zinc/24/48/86/438244886.db2.gz NZPLMLWVNNCGGG-JKSUJKDBSA-N 1 3 342.484 0.507 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433399322 438244892 /nfs/dbraw/zinc/24/48/92/438244892.db2.gz NZPLMLWVNNCGGG-JKSUJKDBSA-N 1 3 342.484 0.507 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418831399 438204229 /nfs/dbraw/zinc/20/42/29/438204229.db2.gz GFSQFMDUAVIWQA-IAGOWNOFSA-N 1 3 346.475 0.391 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000418935949 438256451 /nfs/dbraw/zinc/25/64/51/438256451.db2.gz AYNVICLVMQSULW-IJEWVQPXSA-N 1 3 332.448 0.429 20 0 ECADHO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000358661331 438275028 /nfs/dbraw/zinc/27/50/28/438275028.db2.gz JRWUMMWCJSDZOM-FUHWJXTLSA-N 1 3 332.448 0.627 20 0 ECADHO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000358661331 438275033 /nfs/dbraw/zinc/27/50/33/438275033.db2.gz JRWUMMWCJSDZOM-FUHWJXTLSA-N 1 3 332.448 0.627 20 0 ECADHO CN(CCN)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000419004506 438281106 /nfs/dbraw/zinc/28/11/06/438281106.db2.gz FCPYGKFAEQCPGT-UHFFFAOYSA-N 1 3 332.448 0.706 20 0 ECADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351554313 438286948 /nfs/dbraw/zinc/28/69/48/438286948.db2.gz HXQCQNBFFBZUKN-DJIMGWMZSA-N 1 3 344.459 0.806 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419016860 438287017 /nfs/dbraw/zinc/28/70/17/438287017.db2.gz ACVBVACMMVHUIU-KFWWJZLASA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000419021280 438290436 /nfs/dbraw/zinc/29/04/36/438290436.db2.gz GRVOQGOOOUQVDD-KBXCAEBGSA-N 1 3 338.496 0.810 20 0 ECADHO COCC1(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC[NH2+]CC1 ZINC000358865803 438318702 /nfs/dbraw/zinc/31/87/02/438318702.db2.gz OHIRRAYXKIRMCB-OAHLLOKOSA-N 1 3 326.485 0.002 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351767867 438336628 /nfs/dbraw/zinc/33/66/28/438336628.db2.gz HMTVWAHKWWAXKY-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000351783368 438338953 /nfs/dbraw/zinc/33/89/53/438338953.db2.gz LNAHPMHRPZAOOJ-INIZCTEOSA-N 1 3 327.517 0.901 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000351783368 438338958 /nfs/dbraw/zinc/33/89/58/438338958.db2.gz LNAHPMHRPZAOOJ-INIZCTEOSA-N 1 3 327.517 0.901 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000419033672 438299195 /nfs/dbraw/zinc/29/91/95/438299195.db2.gz YOGVHIBSJMIZEN-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000419045437 438302612 /nfs/dbraw/zinc/30/26/12/438302612.db2.gz NYEFKVLGBVNGJF-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419073775 438311041 /nfs/dbraw/zinc/31/10/41/438311041.db2.gz CPHRTWLPKBOBOH-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000419160395 438349675 /nfs/dbraw/zinc/34/96/75/438349675.db2.gz HBPQFVFPZZOCCN-MRXNPFEDSA-N 1 3 334.464 0.595 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419379383 438355018 /nfs/dbraw/zinc/35/50/18/438355018.db2.gz WQUSTAFZWIHYBL-JKSUJKDBSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419703879 438369540 /nfs/dbraw/zinc/36/95/40/438369540.db2.gz XCUSSFSHQJYCHP-MAUKXSAKSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419967918 438379458 /nfs/dbraw/zinc/37/94/58/438379458.db2.gz CJVBGZLTIFOOBC-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO CO[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C[NH3+])C1 ZINC000359237864 438387672 /nfs/dbraw/zinc/38/76/72/438387672.db2.gz MSSMQUKFHXUMHW-CVEARBPZSA-N 1 3 339.480 0.986 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000359393375 438427100 /nfs/dbraw/zinc/42/71/00/438427100.db2.gz RMXHTSDBFLWWSL-RDJZCZTQSA-N 1 3 335.496 0.645 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000359393375 438427101 /nfs/dbraw/zinc/42/71/01/438427101.db2.gz RMXHTSDBFLWWSL-RDJZCZTQSA-N 1 3 335.496 0.645 20 0 ECADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000390741959 438433957 /nfs/dbraw/zinc/43/39/57/438433957.db2.gz MPECNXHDJAXXOW-QGZVFWFLSA-N 1 3 344.459 0.589 20 0 ECADHO CN(CCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000369243383 438443603 /nfs/dbraw/zinc/44/36/03/438443603.db2.gz MEYDAMCQQFSRKG-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C1CC1 ZINC000369243383 438443608 /nfs/dbraw/zinc/44/36/08/438443608.db2.gz MEYDAMCQQFSRKG-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000420337716 438400938 /nfs/dbraw/zinc/40/09/38/438400938.db2.gz WYQJJZJTFVEMKL-GVDBMIGSSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369557420 438489783 /nfs/dbraw/zinc/48/97/83/438489783.db2.gz VMPFQRYBGOGXOJ-RRFJBIMHSA-N 1 3 333.436 0.401 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000369364915 438459960 /nfs/dbraw/zinc/45/99/60/438459960.db2.gz WCXHOOAETRLVOQ-HNNXBMFYSA-N 1 3 335.496 0.645 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000369364915 438459966 /nfs/dbraw/zinc/45/99/66/438459966.db2.gz WCXHOOAETRLVOQ-HNNXBMFYSA-N 1 3 335.496 0.645 20 0 ECADHO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000369364915 438459972 /nfs/dbraw/zinc/45/99/72/438459972.db2.gz WCXHOOAETRLVOQ-HNNXBMFYSA-N 1 3 335.496 0.645 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000421727774 438498181 /nfs/dbraw/zinc/49/81/81/438498181.db2.gz ZXXXGERONKCQFY-CJNGLKHVSA-N 1 3 342.509 0.093 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000422116695 438523054 /nfs/dbraw/zinc/52/30/54/438523054.db2.gz LDOKWNRHMSLRTM-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000422116695 438523060 /nfs/dbraw/zinc/52/30/60/438523060.db2.gz LDOKWNRHMSLRTM-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422305434 438549817 /nfs/dbraw/zinc/54/98/17/438549817.db2.gz JZUXXBXLDNTBPC-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422305434 438549818 /nfs/dbraw/zinc/54/98/18/438549818.db2.gz JZUXXBXLDNTBPC-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422488557 438579261 /nfs/dbraw/zinc/57/92/61/438579261.db2.gz KHEVQPDKRHQFGZ-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422488557 438579264 /nfs/dbraw/zinc/57/92/64/438579264.db2.gz KHEVQPDKRHQFGZ-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCN(CCNC(=O)NCCNc2cc[nH+]cc2)CC1(C)C ZINC000442610349 438612857 /nfs/dbraw/zinc/61/28/57/438612857.db2.gz OCFNWPDGLHJDIX-UHFFFAOYSA-N 1 3 334.468 0.241 20 0 ECADHO CCCC[C@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000442712478 438618677 /nfs/dbraw/zinc/61/86/77/438618677.db2.gz GNUFBMXNAZYDJO-ZDUSSCGKSA-N 1 3 328.438 0.380 20 0 ECADHO COCCNS(=O)(=O)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422933503 438618796 /nfs/dbraw/zinc/61/87/96/438618796.db2.gz HWIBUWGTXCXABO-HOCLYGCPSA-N 1 3 341.477 0.828 20 0 ECADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000423157166 438642916 /nfs/dbraw/zinc/64/29/16/438642916.db2.gz USHJYFNOJSLWRL-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423177980 438644437 /nfs/dbraw/zinc/64/44/37/438644437.db2.gz BKJJGHATHCIKTK-UHFFFAOYSA-N 1 3 338.496 0.907 20 0 ECADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)C1 ZINC000423164399 438645114 /nfs/dbraw/zinc/64/51/14/438645114.db2.gz OLRREMBMHPNJBN-INIZCTEOSA-N 1 3 336.480 0.661 20 0 ECADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000423204546 438647872 /nfs/dbraw/zinc/64/78/72/438647872.db2.gz URCFEOVETFDCQH-CVEARBPZSA-N 1 3 336.480 0.661 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C[C@@H]1C ZINC000410738263 438648805 /nfs/dbraw/zinc/64/88/05/438648805.db2.gz WDDUXZAIWJTUFO-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C[C@@H]1C ZINC000410738263 438648809 /nfs/dbraw/zinc/64/88/09/438648809.db2.gz WDDUXZAIWJTUFO-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO COC[C@]1(C(=O)NCc2ccc(OCCN(C)C)cc2)CC[NH2+]C1 ZINC000423344981 438663758 /nfs/dbraw/zinc/66/37/58/438663758.db2.gz XIPDMNVVZGVIFT-SFHVURJKSA-N 1 3 335.448 0.869 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000423414454 438673787 /nfs/dbraw/zinc/67/37/87/438673787.db2.gz MYNHASXSHIZPMC-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CC(C)[C@@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)N(C)C ZINC000412464633 438687005 /nfs/dbraw/zinc/68/70/05/438687005.db2.gz POWHOHGRBIZVIC-INIZCTEOSA-N 1 3 340.512 0.485 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000423579760 438691122 /nfs/dbraw/zinc/69/11/22/438691122.db2.gz PJOULMAOVCYHCS-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO NCC(=O)N1CCC[C@H](C[N@H+](CCC2CCCCC2)CC(N)=O)C1 ZINC000414686284 438713540 /nfs/dbraw/zinc/71/35/40/438713540.db2.gz AAJGEUYJQWDBTA-MRXNPFEDSA-N 1 3 338.496 0.941 20 0 ECADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCC2CCCCC2)CC(N)=O)C1 ZINC000414686284 438713542 /nfs/dbraw/zinc/71/35/42/438713542.db2.gz AAJGEUYJQWDBTA-MRXNPFEDSA-N 1 3 338.496 0.941 20 0 ECADHO CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000414701978 438715653 /nfs/dbraw/zinc/71/56/53/438715653.db2.gz UPUMKQOICBQXGK-RDJZCZTQSA-N 1 3 344.459 0.921 20 0 ECADHO O=C(COc1ccccc1CNCCN1CC[NH2+]CC1)N1CCCC1 ZINC000414871308 438718442 /nfs/dbraw/zinc/71/84/42/438718442.db2.gz ULBIQORASOTDND-UHFFFAOYSA-N 1 3 346.475 0.683 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000414916931 438720630 /nfs/dbraw/zinc/72/06/30/438720630.db2.gz UNXJRJJUVFAMMJ-OAHLLOKOSA-N 1 3 346.431 0.660 20 0 ECADHO C[N@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000574928369 438729571 /nfs/dbraw/zinc/72/95/71/438729571.db2.gz SZZMJXZEPICZED-JKSUJKDBSA-N 1 3 345.447 0.072 20 0 ECADHO C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000574928369 438729576 /nfs/dbraw/zinc/72/95/76/438729576.db2.gz SZZMJXZEPICZED-JKSUJKDBSA-N 1 3 345.447 0.072 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000574986307 438730998 /nfs/dbraw/zinc/73/09/98/438730998.db2.gz CBEPDIPJGVWQQD-KGLIPLIRSA-N 1 3 332.452 0.777 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC(=O)NC1 ZINC000455259265 438741500 /nfs/dbraw/zinc/74/15/00/438741500.db2.gz AIBRQVZQQDFOFQ-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC(=O)NC1 ZINC000455259265 438741503 /nfs/dbraw/zinc/74/15/03/438741503.db2.gz AIBRQVZQQDFOFQ-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO Cc1ncc2n1C[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)CC2 ZINC000553221661 438747223 /nfs/dbraw/zinc/74/72/23/438747223.db2.gz LMMLJNDDLLFMKT-HOCLYGCPSA-N 1 3 333.480 0.896 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000576815000 438800661 /nfs/dbraw/zinc/80/06/61/438800661.db2.gz PXEWGQZYFZBPNL-QAPCUYQASA-N 1 3 334.464 0.285 20 0 ECADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)CC(C)C1 ZINC000456691203 438778461 /nfs/dbraw/zinc/77/84/61/438778461.db2.gz CGBRLHZHMZFLDF-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)CC(C)C1 ZINC000456691203 438778466 /nfs/dbraw/zinc/77/84/66/438778466.db2.gz CGBRLHZHMZFLDF-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CO[C@H]1COCC[C@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576601288 438790290 /nfs/dbraw/zinc/79/02/90/438790290.db2.gz QZWOHPMWIBDSSU-GJZGRUSLSA-N 1 3 330.473 0.173 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000577165676 438817882 /nfs/dbraw/zinc/81/78/82/438817882.db2.gz YKOXVQFQXFPHOG-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1CCCN1CCCO)C[NH+]1CCCC1 ZINC000457885216 438838770 /nfs/dbraw/zinc/83/87/70/438838770.db2.gz PRPRZWPSJGRDFD-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO O[C@@H](CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CCOCC1 ZINC000515416072 438866276 /nfs/dbraw/zinc/86/62/76/438866276.db2.gz HLIGCRHJQGEOHZ-OALUTQOASA-N 1 3 349.475 0.036 20 0 ECADHO O[C@@H](CNCc1ccccc1C[N@H+]1CC[C@H](O)C1)CN1CCOCC1 ZINC000515416072 438866279 /nfs/dbraw/zinc/86/62/79/438866279.db2.gz HLIGCRHJQGEOHZ-OALUTQOASA-N 1 3 349.475 0.036 20 0 ECADHO C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000515408556 438868111 /nfs/dbraw/zinc/86/81/11/438868111.db2.gz BQRNEJCLDOTTFF-HUUCEWRRSA-N 1 3 326.485 0.491 20 0 ECADHO CN1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)cn2)CC1 ZINC000515483366 438868829 /nfs/dbraw/zinc/86/88/29/438868829.db2.gz QBASKMXHGZHHOB-MJGOQNOKSA-N 1 3 345.491 0.690 20 0 ECADHO CS[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1N(C)C ZINC000601380327 438868874 /nfs/dbraw/zinc/86/88/74/438868874.db2.gz TXVPTBYBUXPQSJ-UONOGXRCSA-N 1 3 325.482 0.562 20 0 ECADHO C[C@@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000458423295 438883340 /nfs/dbraw/zinc/88/33/40/438883340.db2.gz CEXFJWNNHPYAAX-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000458423295 438883344 /nfs/dbraw/zinc/88/33/44/438883344.db2.gz CEXFJWNNHPYAAX-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000564937955 438890221 /nfs/dbraw/zinc/89/02/21/438890221.db2.gz QOVBZWMUTRKUJE-DZGCQCFKSA-N 1 3 334.468 0.832 20 0 ECADHO CCN1CCN(CCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000564935774 438890863 /nfs/dbraw/zinc/89/08/63/438890863.db2.gz DNHDAYFFTDKFBX-INIZCTEOSA-N 1 3 334.468 0.175 20 0 ECADHO CC[C@H](C)N[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccco1 ZINC000578052941 438893415 /nfs/dbraw/zinc/89/34/15/438893415.db2.gz OUNLGCJPWZGXDH-RRFJBIMHSA-N 1 3 337.468 0.993 20 0 ECADHO C[NH2+]C[C@](C)(O)CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000565092530 438914174 /nfs/dbraw/zinc/91/41/74/438914174.db2.gz AKRZCHQOFXDCOY-IBGZPJMESA-N 1 3 334.508 0.706 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000578323511 438915358 /nfs/dbraw/zinc/91/53/58/438915358.db2.gz LIBXSPWGMYDJKK-ZNMIVQPWSA-N 1 3 334.464 0.865 20 0 ECADHO CCOC(=O)CC1([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCOCC1 ZINC000596103389 438924772 /nfs/dbraw/zinc/92/47/72/438924772.db2.gz KHNWPGRXNQGUJR-AWEZNQCLSA-N 1 3 341.452 0.276 20 0 ECADHO CC[NH+](CC)CCSCC(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000590563228 438931955 /nfs/dbraw/zinc/93/19/55/438931955.db2.gz SRDRABLDVFXDNP-UHFFFAOYSA-N 1 3 342.553 0.767 20 0 ECADHO C[C@H](CNC[C@@H](O)CN1C(=O)c2ccccc2C1=O)C[NH+]1CCCC1 ZINC000517556477 438967773 /nfs/dbraw/zinc/96/77/73/438967773.db2.gz KWHSHTYPIUVBBQ-HUUCEWRRSA-N 1 3 345.443 0.965 20 0 ECADHO C[C@H](C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)CN1CCCC1 ZINC000517556477 438967777 /nfs/dbraw/zinc/96/77/77/438967777.db2.gz KWHSHTYPIUVBBQ-HUUCEWRRSA-N 1 3 345.443 0.965 20 0 ECADHO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000578985837 438969819 /nfs/dbraw/zinc/96/98/19/438969819.db2.gz ZSWQJBVHBZXDJR-YESZJQIVSA-N 1 3 343.475 0.789 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)N1CCCC1 ZINC000518128479 438987457 /nfs/dbraw/zinc/98/74/57/438987457.db2.gz LIGVEWQNTJEVNX-ZDUSSCGKSA-N 1 3 330.432 0.871 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000566058448 439000124 /nfs/dbraw/zinc/00/01/24/439000124.db2.gz MCATYSQNPJGVRB-NVXWUHKLSA-N 1 3 346.475 0.820 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000460027160 439059394 /nfs/dbraw/zinc/05/93/94/439059394.db2.gz KRPVSYJHRTUOQK-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@@H]1N(C)C ZINC000459933014 439037224 /nfs/dbraw/zinc/03/72/24/439037224.db2.gz LOLZLADJGIAOQG-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)CN1CCCCC1 ZINC000602472815 439093301 /nfs/dbraw/zinc/09/33/01/439093301.db2.gz LKRPZQDRVVNKHK-FPTDNZKUSA-N 1 3 329.510 0.725 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000520793679 439095325 /nfs/dbraw/zinc/09/53/25/439095325.db2.gz DTXRGASWBHXDEZ-JYJNAYRXSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]1 ZINC000580632568 439113068 /nfs/dbraw/zinc/11/30/68/439113068.db2.gz OZFRRHBWTNUGEP-LSDHHAIUSA-N 1 3 337.468 0.077 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000460074911 439073281 /nfs/dbraw/zinc/07/32/81/439073281.db2.gz AVQUMEXLZSCAOA-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO NC[C@H]1c2ccccc2CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000566677035 439079992 /nfs/dbraw/zinc/07/99/92/439079992.db2.gz JEKVXTHGKSTLAU-KRWDZBQOSA-N 1 3 331.464 0.549 20 0 ECADHO CN1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)[C@H]1c1ccccc1 ZINC000567148627 439118122 /nfs/dbraw/zinc/11/81/22/439118122.db2.gz AWFAUYSVWGTWQA-IXDOHACOSA-N 1 3 331.464 0.635 20 0 ECADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580726639 439124569 /nfs/dbraw/zinc/12/45/69/439124569.db2.gz YLMADTUGSAEGTH-HZSPNIEDSA-N 1 3 325.457 0.060 20 0 ECADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580726639 439124573 /nfs/dbraw/zinc/12/45/73/439124573.db2.gz YLMADTUGSAEGTH-HZSPNIEDSA-N 1 3 325.457 0.060 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000567337391 439134230 /nfs/dbraw/zinc/13/42/30/439134230.db2.gz KVZMNLWMHQCZNA-GXTWGEPZSA-N 1 3 340.468 0.064 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000581304554 439194456 /nfs/dbraw/zinc/19/44/56/439194456.db2.gz LLHVTMJDOWNKDI-PMPSAXMXSA-N 1 3 334.464 0.284 20 0 ECADHO O=C1N[C@@H]2CN(C[C@@H]3CCCC[C@H]3O)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000568051651 439208755 /nfs/dbraw/zinc/20/87/55/439208755.db2.gz WEBMTTHJTIZOGD-PQEBFOHHSA-N 1 3 336.480 0.758 20 0 ECADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000582011336 439279371 /nfs/dbraw/zinc/27/93/71/439279371.db2.gz YFXATXKBPRUHTN-RYQLBKOJSA-N 1 3 325.497 0.874 20 0 ECADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000582011336 439279376 /nfs/dbraw/zinc/27/93/76/439279376.db2.gz YFXATXKBPRUHTN-RYQLBKOJSA-N 1 3 325.497 0.874 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC2(CNC2)C1 ZINC000568609144 439259467 /nfs/dbraw/zinc/25/94/67/439259467.db2.gz XXBVOGCMBUGZRE-QGZVFWFLSA-N 1 3 344.459 0.892 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOC2(CNC2)C1 ZINC000568609144 439259472 /nfs/dbraw/zinc/25/94/72/439259472.db2.gz XXBVOGCMBUGZRE-QGZVFWFLSA-N 1 3 344.459 0.892 20 0 ECADHO N[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)C[C@H]1c1ccccc1F ZINC000569220414 439313708 /nfs/dbraw/zinc/31/37/08/439313708.db2.gz IDKJIIAJDLXQCC-GXTWGEPZSA-N 1 3 332.383 0.333 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592960663 439322601 /nfs/dbraw/zinc/32/26/01/439322601.db2.gz BNOKDZSUBBYFKN-LSDHHAIUSA-N 1 3 348.495 0.475 20 0 ECADHO C[C@@H]1CCC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000582136131 439296718 /nfs/dbraw/zinc/29/67/18/439296718.db2.gz BKRKBVAZHUINQA-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCCN1C ZINC000605243317 439364951 /nfs/dbraw/zinc/36/49/51/439364951.db2.gz UTPRQOWZQFLDGY-CQSZACIVSA-N 1 3 348.447 0.906 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1F ZINC000582857338 439390103 /nfs/dbraw/zinc/39/01/03/439390103.db2.gz LJFCZPOJGMGONN-LBPRGKRZSA-N 1 3 338.383 0.183 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000570272760 439404495 /nfs/dbraw/zinc/40/44/95/439404495.db2.gz GHUNIGUQLAIAEP-RBUKOAKNSA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000570272760 439404500 /nfs/dbraw/zinc/40/45/00/439404500.db2.gz GHUNIGUQLAIAEP-RBUKOAKNSA-N 1 3 338.540 0.981 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529366034 439413259 /nfs/dbraw/zinc/41/32/59/439413259.db2.gz MALCDHNZGLLDLE-OAHLLOKOSA-N 1 3 349.479 0.221 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000570425347 439418703 /nfs/dbraw/zinc/41/87/03/439418703.db2.gz XGFBNMYNASBEGP-MRXNPFEDSA-N 1 3 325.501 0.783 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(=O)N[C@H](C)C3)CC2)CC1 ZINC000570527125 439426762 /nfs/dbraw/zinc/42/67/62/439426762.db2.gz GJLNELQJLLCGEM-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000583250614 439438426 /nfs/dbraw/zinc/43/84/26/439438426.db2.gz QRAUFITWALRGRE-KZNAEPCWSA-N 1 3 326.529 0.552 20 0 ECADHO CN1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)[C@H](CN)C1 ZINC000583252047 439439652 /nfs/dbraw/zinc/43/96/52/439439652.db2.gz FHSXXQKYVUQAJB-HZPDHXFCSA-N 1 3 325.501 0.781 20 0 ECADHO C[NH+](C)CCOc1ccccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583332968 439451505 /nfs/dbraw/zinc/45/15/05/439451505.db2.gz ARMXWFIUMZWJHW-ZFWWWQNUSA-N 1 3 346.431 0.011 20 0 ECADHO CN1CCC(C[NH2+]C[C@@H](O)Cn2cccn2)(N2CCCCC2)CC1 ZINC000583626512 439490529 /nfs/dbraw/zinc/49/05/29/439490529.db2.gz VFWZKNUXWHLXBM-QGZVFWFLSA-N 1 3 335.496 0.784 20 0 ECADHO CN(C)C/C=C\C(=O)Nc1cccnc1CNC(=O)/C=C/C[NH+](C)C ZINC000492500533 439542002 /nfs/dbraw/zinc/54/20/02/439542002.db2.gz INHSZALMWIOJGX-FPXDHTHPSA-N 1 3 345.447 0.872 20 0 ECADHO CN(C)C/C=C/C(=O)NCc1ncccc1NC(=O)/C=C\C[NH+](C)C ZINC000492500533 439542005 /nfs/dbraw/zinc/54/20/05/439542005.db2.gz INHSZALMWIOJGX-FPXDHTHPSA-N 1 3 345.447 0.872 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000584103391 439548993 /nfs/dbraw/zinc/54/89/93/439548993.db2.gz XFMHQEUDKHSYFI-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCCC[NH2+]C(C)C)CC1=O ZINC000584294182 439573399 /nfs/dbraw/zinc/57/33/99/439573399.db2.gz HREZRRURESAINR-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000599924051 439575452 /nfs/dbraw/zinc/57/54/52/439575452.db2.gz OCAIQPXDADSVNZ-UHFFFAOYSA-N 1 3 332.514 0.691 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000572383504 439578001 /nfs/dbraw/zinc/57/80/01/439578001.db2.gz XZZBCFKFIHHJME-BZUAXINKSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH2+]CCCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000572466888 439585278 /nfs/dbraw/zinc/58/52/78/439585278.db2.gz QSBAIQLCXRHGGF-SFHVURJKSA-N 1 3 334.464 0.922 20 0 ECADHO COC(=O)c1c(N(C)CCN(C)C)ncnc1N(C)CC[NH+](C)C ZINC000610929866 439657618 /nfs/dbraw/zinc/65/76/18/439657618.db2.gz SNPHXTSWZDZNIS-UHFFFAOYSA-N 1 3 338.456 0.259 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC000573697746 439661648 /nfs/dbraw/zinc/66/16/48/439661648.db2.gz WGCXCPMHVYENMO-HNSVSWJLSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC000573697746 439661649 /nfs/dbraw/zinc/66/16/49/439661649.db2.gz WGCXCPMHVYENMO-HNSVSWJLSA-N 1 3 336.480 0.528 20 0 ECADHO COC(=O)CCNC(=O)CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000600708855 439693582 /nfs/dbraw/zinc/69/35/82/439693582.db2.gz HPVCZQFLFYDDGR-RBSFLKMASA-N 1 3 325.453 0.956 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1cccc(OC)c1 ZINC000574261644 439694184 /nfs/dbraw/zinc/69/41/84/439694184.db2.gz MMAJUWZSLZZFOR-MRXNPFEDSA-N 1 3 348.447 0.282 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000612971087 439747606 /nfs/dbraw/zinc/74/76/06/439747606.db2.gz MNIDKCNCAQDWAM-HZPDHXFCSA-N 1 3 335.496 0.550 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[C@H]1N1CCN(C)CC1 ZINC000612980283 439748186 /nfs/dbraw/zinc/74/81/86/439748186.db2.gz OLNKPDVJMSSGHK-ZACQAIPSSA-N 1 3 349.523 0.796 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(CC)CCC[NH+]2CCCC2)C1 ZINC000612543676 439725751 /nfs/dbraw/zinc/72/57/51/439725751.db2.gz RPWMPZMHCTVWGG-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000612547391 439727023 /nfs/dbraw/zinc/72/70/23/439727023.db2.gz CQBGIPRQXCNMOT-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000612547391 439727025 /nfs/dbraw/zinc/72/70/25/439727025.db2.gz CQBGIPRQXCNMOT-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000612546930 439727926 /nfs/dbraw/zinc/72/79/26/439727926.db2.gz XCGKKGRNGBCDCV-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000615225102 439796281 /nfs/dbraw/zinc/79/62/81/439796281.db2.gz AXPDDBQAHNOLLH-PMPSAXMXSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000615225102 439796282 /nfs/dbraw/zinc/79/62/82/439796282.db2.gz AXPDDBQAHNOLLH-PMPSAXMXSA-N 1 3 338.496 0.632 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)n1 ZINC000662747777 439871265 /nfs/dbraw/zinc/87/12/65/439871265.db2.gz BBJLKYQWQOZDCN-ZDUSSCGKSA-N 1 3 341.415 0.950 20 0 ECADHO C[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H]([NH3+])c1ccccc1 ZINC000662658993 439836984 /nfs/dbraw/zinc/83/69/84/439836984.db2.gz HIELZGOMDOLGCP-PBHICJAKSA-N 1 3 334.464 0.801 20 0 ECADHO O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[C@@H](N2CCCC2)C1 ZINC000662709874 439854492 /nfs/dbraw/zinc/85/44/92/439854492.db2.gz UGZVNESHXLMUJQ-HUUCEWRRSA-N 1 3 332.452 0.903 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662719144 439857920 /nfs/dbraw/zinc/85/79/20/439857920.db2.gz BJJGQIWZEYXBFG-GJZGRUSLSA-N 1 3 332.452 0.807 20 0 ECADHO Cn1cncc1CC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000641820003 439925605 /nfs/dbraw/zinc/92/56/05/439925605.db2.gz LASSHLSRSJKTMM-HNNXBMFYSA-N 1 3 343.479 0.975 20 0 ECADHO Cn1cncc1CC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000641820003 439925609 /nfs/dbraw/zinc/92/56/09/439925609.db2.gz LASSHLSRSJKTMM-HNNXBMFYSA-N 1 3 343.479 0.975 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000652700376 439930442 /nfs/dbraw/zinc/93/04/42/439930442.db2.gz QFMNFEMZCWWPGX-UONOGXRCSA-N 1 3 342.484 0.310 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000652700376 439930452 /nfs/dbraw/zinc/93/04/52/439930452.db2.gz QFMNFEMZCWWPGX-UONOGXRCSA-N 1 3 342.484 0.310 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@H]2CCc3ncnn32)C1)[C@@H]1CCC[NH2+]1 ZINC000631822404 439931523 /nfs/dbraw/zinc/93/15/23/439931523.db2.gz BJRMWDUNZFSKJU-ZNMIVQPWSA-N 1 3 332.452 0.346 20 0 ECADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cccn1C1CC[NH2+]CC1 ZINC000646803703 439887787 /nfs/dbraw/zinc/88/77/87/439887787.db2.gz DZFPDLCAXBTYLM-UHFFFAOYSA-N 1 3 344.423 0.193 20 0 ECADHO CN(CCN1CCCCC1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000652611359 439891744 /nfs/dbraw/zinc/89/17/44/439891744.db2.gz GFKHINSPBBXMGN-UHFFFAOYSA-N 1 3 347.467 0.836 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000662803109 439895030 /nfs/dbraw/zinc/89/50/30/439895030.db2.gz VKBANTUOXXVFKA-KSZLIROESA-N 1 3 347.459 0.758 20 0 ECADHO CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617505529 439899061 /nfs/dbraw/zinc/89/90/61/439899061.db2.gz GLHZRJVWVHWJPF-YOEHRIQHSA-N 1 3 326.485 0.633 20 0 ECADHO CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617505529 439899065 /nfs/dbraw/zinc/89/90/65/439899065.db2.gz GLHZRJVWVHWJPF-YOEHRIQHSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(cn1)OCCO2 ZINC000617502295 439902453 /nfs/dbraw/zinc/90/24/53/439902453.db2.gz KOLOCBBXELCVJB-ZDUSSCGKSA-N 1 3 336.436 0.855 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(cn1)OCCO2 ZINC000617502295 439902461 /nfs/dbraw/zinc/90/24/61/439902461.db2.gz KOLOCBBXELCVJB-ZDUSSCGKSA-N 1 3 336.436 0.855 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1ccccn1 ZINC000617505538 439902586 /nfs/dbraw/zinc/90/25/86/439902586.db2.gz GVRNGENCDDRXQK-AWEZNQCLSA-N 1 3 335.452 0.200 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1ccccn1 ZINC000617505538 439902591 /nfs/dbraw/zinc/90/25/91/439902591.db2.gz GVRNGENCDDRXQK-AWEZNQCLSA-N 1 3 335.452 0.200 20 0 ECADHO CC(C)(N)c1cc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)on1 ZINC000662816156 439903128 /nfs/dbraw/zinc/90/31/28/439903128.db2.gz WXUXFJZZXLKGFN-UHFFFAOYSA-N 1 3 335.452 0.815 20 0 ECADHO CC(C)(N)c1cc(C(=O)NC2CCC([NH+]3CCNCC3)CC2)on1 ZINC000662816156 439903135 /nfs/dbraw/zinc/90/31/35/439903135.db2.gz WXUXFJZZXLKGFN-UHFFFAOYSA-N 1 3 335.452 0.815 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cnnn1C1CC[NH2+]CC1 ZINC000662836128 439909619 /nfs/dbraw/zinc/90/96/19/439909619.db2.gz WJMIKBKAGOKHMZ-HUUCEWRRSA-N 1 3 332.452 0.949 20 0 ECADHO COC[C@]1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC[NH2+]C1 ZINC000662859720 439914488 /nfs/dbraw/zinc/91/44/88/439914488.db2.gz NVSVDTMGPOMUPN-HKUYNNGSSA-N 1 3 347.459 0.496 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000626853596 439916576 /nfs/dbraw/zinc/91/65/76/439916576.db2.gz IRZXNAGFSCICFB-UHFFFAOYSA-N 1 3 336.436 0.681 20 0 ECADHO O=C(C[C@@H]1CNCCO1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662861268 439917249 /nfs/dbraw/zinc/91/72/49/439917249.db2.gz ZHGLHPRLRPACDD-IAGOWNOFSA-N 1 3 333.432 0.248 20 0 ECADHO O=C(C[C@@H]1CNCCO1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662861268 439917252 /nfs/dbraw/zinc/91/72/52/439917252.db2.gz ZHGLHPRLRPACDD-IAGOWNOFSA-N 1 3 333.432 0.248 20 0 ECADHO [NH3+]CCCOC1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631907785 439966865 /nfs/dbraw/zinc/96/68/65/439966865.db2.gz UJADYWRDHUJKOB-UHFFFAOYSA-N 1 3 333.498 0.632 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642330568 439971555 /nfs/dbraw/zinc/97/15/55/439971555.db2.gz WWOKYECDXZDMTM-XUWVNRHRSA-N 1 3 338.496 0.727 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000642329762 439972662 /nfs/dbraw/zinc/97/26/62/439972662.db2.gz IKDUMDRXQSYVPJ-JJXSEGSLSA-N 1 3 338.496 0.809 20 0 ECADHO C[NH2+]CCOCCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000626984730 439981076 /nfs/dbraw/zinc/98/10/76/439981076.db2.gz JXJLDMQLZPLKIW-UHFFFAOYSA-N 1 3 334.464 0.621 20 0 ECADHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000646937884 439939651 /nfs/dbraw/zinc/93/96/51/439939651.db2.gz VDXRZKCSFDUJTI-LNLFQRSKSA-N 1 3 329.444 0.786 20 0 ECADHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000646937884 439939659 /nfs/dbraw/zinc/93/96/59/439939659.db2.gz VDXRZKCSFDUJTI-LNLFQRSKSA-N 1 3 329.444 0.786 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000642048652 439942476 /nfs/dbraw/zinc/94/24/76/439942476.db2.gz ATQBMEPCLKCZCS-KSSFIOAISA-N 1 3 332.448 0.621 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000652720098 439942497 /nfs/dbraw/zinc/94/24/97/439942497.db2.gz WCLCPUPEKCLPRL-YOEHRIQHSA-N 1 3 346.475 0.963 20 0 ECADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000652724510 439946147 /nfs/dbraw/zinc/94/61/47/439946147.db2.gz DMJMMXHQCUVOSP-MRXNPFEDSA-N 1 3 336.480 0.579 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000662922741 439946920 /nfs/dbraw/zinc/94/69/20/439946920.db2.gz UBFIIZNVGUZKLX-UHFFFAOYSA-N 1 3 334.464 0.413 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662934956 439950555 /nfs/dbraw/zinc/95/05/55/439950555.db2.gz QWJYOFVCUZWOHG-UHFFFAOYSA-N 1 3 326.466 0.446 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642119464 439951471 /nfs/dbraw/zinc/95/14/71/439951471.db2.gz RTFJQGYSCBTICD-CQSZACIVSA-N 1 3 338.496 0.871 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@H]([NH3+])c3ccccc3)C2)nn1 ZINC000647087792 439995871 /nfs/dbraw/zinc/99/58/71/439995871.db2.gz KIQPVHMQIMFNDW-CVEARBPZSA-N 1 3 328.420 0.990 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000636701219 440002021 /nfs/dbraw/zinc/00/20/21/440002021.db2.gz KGKRENLIFRVBIZ-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C1CC[NH+](C)CC1 ZINC000642724342 440017010 /nfs/dbraw/zinc/01/70/10/440017010.db2.gz DYIVZWHDMRLPQU-OUCADQQQSA-N 1 3 340.468 0.062 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000647204405 440019105 /nfs/dbraw/zinc/01/91/05/440019105.db2.gz KXTWLNFJGLIEPU-UHFFFAOYSA-N 1 3 343.497 0.610 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC[NH2+]CC1 ZINC000642785796 440037070 /nfs/dbraw/zinc/03/70/70/440037070.db2.gz LJUVSUWNQMJLSK-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016708 439988513 /nfs/dbraw/zinc/98/85/13/439988513.db2.gz HVHWSLIAXHTPKJ-KGLIPLIRSA-N 1 3 334.468 0.523 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000632060522 440061991 /nfs/dbraw/zinc/06/19/91/440061991.db2.gz OTOZXRXTUHKMIU-OAHLLOKOSA-N 1 3 335.514 0.701 20 0 ECADHO NCC(=O)N1CCC[C@H](CN(Cc2cccnc2)C[C@H]2CC[NH2+]C2)C1 ZINC000647520569 440062944 /nfs/dbraw/zinc/06/29/44/440062944.db2.gz PQHDVRKCMULMBD-ZWKOTPCHSA-N 1 3 345.491 0.690 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642953200 440069617 /nfs/dbraw/zinc/06/96/17/440069617.db2.gz CFEIIQXZGROMQA-ZBFHGGJFSA-N 1 3 332.448 0.573 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653116617 440070224 /nfs/dbraw/zinc/07/02/24/440070224.db2.gz MURBHDJNAAFBTR-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cn1 ZINC000653121955 440072979 /nfs/dbraw/zinc/07/29/79/440072979.db2.gz HRMODGKEOYHEDX-HUUCEWRRSA-N 1 3 348.451 0.030 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642974884 440074546 /nfs/dbraw/zinc/07/45/46/440074546.db2.gz RIGDUOROTGYIOS-UHFFFAOYSA-N 1 3 333.436 0.364 20 0 ECADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642990026 440077781 /nfs/dbraw/zinc/07/77/81/440077781.db2.gz GENFSTPNFWYWOS-ZBFHGGJFSA-N 1 3 336.480 0.720 20 0 ECADHO C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000653155658 440085028 /nfs/dbraw/zinc/08/50/28/440085028.db2.gz BFFGBSCCKLZYEF-QZTJIDSGSA-N 1 3 348.491 0.673 20 0 ECADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000643081328 440086999 /nfs/dbraw/zinc/08/69/99/440086999.db2.gz DULVNLVJIBQQOR-NVXWUHKLSA-N 1 3 345.447 0.714 20 0 ECADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642789422 440041487 /nfs/dbraw/zinc/04/14/87/440041487.db2.gz BPFSVEGRJFSALS-BZUAXINKSA-N 1 3 336.480 0.433 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[C@H]1[NH3+] ZINC000642809750 440046743 /nfs/dbraw/zinc/04/67/43/440046743.db2.gz FTDNPCMVKRXELL-RBSFLKMASA-N 1 3 338.496 0.809 20 0 ECADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642905294 440056120 /nfs/dbraw/zinc/05/61/20/440056120.db2.gz JWFUVVUOZMCYDN-OAHLLOKOSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000642907711 440057623 /nfs/dbraw/zinc/05/76/23/440057623.db2.gz GBYBOUIBGMYTKA-LLVKDONJSA-N 1 3 342.390 0.318 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663630859 440132441 /nfs/dbraw/zinc/13/24/41/440132441.db2.gz QRAXJHZBXDZYCW-NVXWUHKLSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663630859 440132444 /nfs/dbraw/zinc/13/24/44/440132444.db2.gz QRAXJHZBXDZYCW-NVXWUHKLSA-N 1 3 338.496 0.959 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000627338469 440133102 /nfs/dbraw/zinc/13/31/02/440133102.db2.gz HMMQMOLHJZCNFD-UHFFFAOYSA-N 1 3 334.464 0.950 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000627338469 440133110 /nfs/dbraw/zinc/13/31/10/440133110.db2.gz HMMQMOLHJZCNFD-UHFFFAOYSA-N 1 3 334.464 0.950 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000637019987 440134459 /nfs/dbraw/zinc/13/44/59/440134459.db2.gz QUOXKQZXTBEMPS-GDBMZVCRSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000637019987 440134466 /nfs/dbraw/zinc/13/44/66/440134466.db2.gz QUOXKQZXTBEMPS-GDBMZVCRSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000653368923 440135986 /nfs/dbraw/zinc/13/59/86/440135986.db2.gz FMNIXAOGHZZHKK-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000653368923 440135991 /nfs/dbraw/zinc/13/59/91/440135991.db2.gz FMNIXAOGHZZHKK-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000643398363 440140556 /nfs/dbraw/zinc/14/05/56/440140556.db2.gz MHZSLKYWUYCJPY-FHERZECASA-N 1 3 338.496 0.966 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CNC[C@H]2CCCO2)C1 ZINC000653267007 440104760 /nfs/dbraw/zinc/10/47/60/440104760.db2.gz JFDGBXOUPOHNII-WCVJEAGWSA-N 1 3 325.453 0.642 20 0 ECADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCCS1(=O)=O ZINC000643468752 440175407 /nfs/dbraw/zinc/17/54/07/440175407.db2.gz RHUWCHJRSUGTOX-ZBFHGGJFSA-N 1 3 325.478 0.960 20 0 ECADHO CN(C)C(=O)[C@H]1CC[C@@H](CNC2CC[NH+](CC(C)(C)O)CC2)O1 ZINC000647909870 440187073 /nfs/dbraw/zinc/18/70/73/440187073.db2.gz PYQPCZMJFSGUNN-LSDHHAIUSA-N 1 3 327.469 0.447 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000627425786 440195788 /nfs/dbraw/zinc/19/57/88/440195788.db2.gz ZQNDVBBXKYDMHZ-QLFBSQMISA-N 1 3 334.464 0.520 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653414998 440162599 /nfs/dbraw/zinc/16/25/99/440162599.db2.gz GJQLCLOSDCXFNC-UHFFFAOYSA-N 1 3 326.485 0.779 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653414998 440162604 /nfs/dbraw/zinc/16/26/04/440162604.db2.gz GJQLCLOSDCXFNC-UHFFFAOYSA-N 1 3 326.485 0.779 20 0 ECADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000647995086 440208305 /nfs/dbraw/zinc/20/83/05/440208305.db2.gz VYHJOUXBCXKGSP-LEOABGAYSA-N 1 3 326.485 0.669 20 0 ECADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000647995086 440208308 /nfs/dbraw/zinc/20/83/08/440208308.db2.gz VYHJOUXBCXKGSP-LEOABGAYSA-N 1 3 326.485 0.669 20 0 ECADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648165151 440247712 /nfs/dbraw/zinc/24/77/12/440247712.db2.gz KGUJTBMKOOOVSO-WNRNVDISSA-N 1 3 329.444 0.859 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)C3([NH3+])Cc4ccccc4C3)C2)nn1 ZINC000648177759 440252938 /nfs/dbraw/zinc/25/29/38/440252938.db2.gz SSTYZCVKHOOXPM-MRXNPFEDSA-N 1 3 340.431 0.397 20 0 ECADHO C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(C)(C)C[NH+](C)C ZINC000664369543 440298701 /nfs/dbraw/zinc/29/87/01/440298701.db2.gz SWFFKDPVNVQREQ-CQSZACIVSA-N 1 3 343.516 0.624 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCCC1 ZINC000654373563 440300249 /nfs/dbraw/zinc/30/02/49/440300249.db2.gz DOUARYSDMJYTKD-GVDBMIGSSA-N 1 3 338.496 0.957 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000659518598 440352583 /nfs/dbraw/zinc/35/25/83/440352583.db2.gz YRXAVZOWYKLHEA-HNNXBMFYSA-N 1 3 341.500 0.555 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000632722645 440357538 /nfs/dbraw/zinc/35/75/38/440357538.db2.gz SNGOBOKDPDVKPO-UHFFFAOYSA-N 1 3 326.466 0.875 20 0 ECADHO N[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[C@H]1F ZINC000659456833 440330740 /nfs/dbraw/zinc/33/07/40/440330740.db2.gz YNFSXVXHKOWIQH-BPLDGKMQSA-N 1 3 328.432 0.568 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659681211 440417596 /nfs/dbraw/zinc/41/75/96/440417596.db2.gz RAWAVUDHCKCQIK-KFWWJZLASA-N 1 3 338.496 0.857 20 0 ECADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)CN1CCNCC1 ZINC000638064175 440423453 /nfs/dbraw/zinc/42/34/53/440423453.db2.gz JGUZRUVVTBQJGK-UHFFFAOYSA-N 1 3 348.491 0.929 20 0 ECADHO CCN(CCC[NH+](CC)CC)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630148 440382102 /nfs/dbraw/zinc/38/21/02/440382102.db2.gz DVLHSVMXDYHEDH-UHFFFAOYSA-N 1 3 338.456 0.904 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000649072732 440386463 /nfs/dbraw/zinc/38/64/63/440386463.db2.gz HVHLJNSDNOGERC-CQSZACIVSA-N 1 3 333.436 0.486 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nc2ncccn2n1 ZINC000665142353 440428158 /nfs/dbraw/zinc/42/81/58/440428158.db2.gz KDOJHHCCOIJTMU-ZDUSSCGKSA-N 1 3 348.455 0.196 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nc2ncccn2n1 ZINC000665142353 440428161 /nfs/dbraw/zinc/42/81/61/440428161.db2.gz KDOJHHCCOIJTMU-ZDUSSCGKSA-N 1 3 348.455 0.196 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000659671560 440408166 /nfs/dbraw/zinc/40/81/66/440408166.db2.gz GVDRDDGWEOWHCP-KXBFYZLASA-N 1 3 346.475 0.881 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000659738527 440475478 /nfs/dbraw/zinc/47/54/78/440475478.db2.gz FJPUZALOYXIZEY-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000659701471 440434909 /nfs/dbraw/zinc/43/49/09/440434909.db2.gz FMKAPKBXHCJDCR-MRXNPFEDSA-N 1 3 334.464 0.854 20 0 ECADHO CCN(CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)C1CC1 ZINC000638097586 440438172 /nfs/dbraw/zinc/43/81/72/440438172.db2.gz VOAHTHWNZGXNBM-NSHDSACASA-N 1 3 342.394 0.964 20 0 ECADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659708156 440441494 /nfs/dbraw/zinc/44/14/94/440441494.db2.gz MYBFXCWXAHBABH-JHJVBQTASA-N 1 3 328.432 0.121 20 0 ECADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659708156 440441499 /nfs/dbraw/zinc/44/14/99/440441499.db2.gz MYBFXCWXAHBABH-JHJVBQTASA-N 1 3 328.432 0.121 20 0 ECADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000638109613 440446557 /nfs/dbraw/zinc/44/65/57/440446557.db2.gz WDMLTTSCPZYAGE-RHSMWYFYSA-N 1 3 327.469 0.759 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659719951 440455931 /nfs/dbraw/zinc/45/59/31/440455931.db2.gz ZDQYWPFXDRFIAA-MRXNPFEDSA-N 1 3 338.496 0.714 20 0 ECADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)C1 ZINC000649315747 440456739 /nfs/dbraw/zinc/45/67/39/440456739.db2.gz HPHSAOFOVYPKRO-QMCVQRASSA-N 1 3 342.443 0.788 20 0 ECADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)C1 ZINC000649315748 440458119 /nfs/dbraw/zinc/45/81/19/440458119.db2.gz HPHSAOFOVYPKRO-SIXLDLHFSA-N 1 3 342.443 0.788 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649320408 440460580 /nfs/dbraw/zinc/46/05/80/440460580.db2.gz ZNAVSGDRVBYFKO-ZDUSSCGKSA-N 1 3 346.422 0.244 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638234571 440487441 /nfs/dbraw/zinc/48/74/41/440487441.db2.gz NOAFMGUCZFEFKG-KRWDZBQOSA-N 1 3 327.469 0.573 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000638249788 440489105 /nfs/dbraw/zinc/48/91/05/440489105.db2.gz VIPFCARKQULCKF-YESZJQIVSA-N 1 3 337.512 0.925 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000665551078 440489505 /nfs/dbraw/zinc/48/95/05/440489505.db2.gz NUJALNQLSDQPMW-CAOSSQGBSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000665762807 440524200 /nfs/dbraw/zinc/52/42/00/440524200.db2.gz QQVPMTGGAIETSU-RRFJBIMHSA-N 1 3 339.484 0.178 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000665762807 440524205 /nfs/dbraw/zinc/52/42/05/440524205.db2.gz QQVPMTGGAIETSU-RRFJBIMHSA-N 1 3 339.484 0.178 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000665764145 440531120 /nfs/dbraw/zinc/53/11/20/440531120.db2.gz WBRBVVRLAGJJJW-KKUMJFAQSA-N 1 3 330.473 0.050 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000665764145 440531127 /nfs/dbraw/zinc/53/11/27/440531127.db2.gz WBRBVVRLAGJJJW-KKUMJFAQSA-N 1 3 330.473 0.050 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447036 440563461 /nfs/dbraw/zinc/56/34/61/440563461.db2.gz JFXWYEFSKZQSLH-RLFYNMQTSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655447329 440564242 /nfs/dbraw/zinc/56/42/42/440564242.db2.gz WRFOJTFXIPOHAQ-CRAIPNDOSA-N 1 3 334.464 0.143 20 0 ECADHO CC(C)(C)NS(=O)(=O)CC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638436213 440535865 /nfs/dbraw/zinc/53/58/65/440535865.db2.gz JSAZZSUGEXUYDW-UHFFFAOYSA-N 1 3 335.514 0.529 20 0 ECADHO COC[C@]1(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCCCN1 ZINC000638432503 440537599 /nfs/dbraw/zinc/53/75/99/440537599.db2.gz KEIAMKNBHDYPID-WBVHZDCISA-N 1 3 327.469 0.714 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000638643712 440594385 /nfs/dbraw/zinc/59/43/85/440594385.db2.gz IFBATOSUGNDNJS-OAHLLOKOSA-N 1 3 325.501 0.925 20 0 ECADHO C[NH+]1CCC(n2cc(NC(=O)[C@@H]3CN4CCN3CCC4)cn2)CC1 ZINC000634093478 440607582 /nfs/dbraw/zinc/60/75/82/440607582.db2.gz MHYUYHRGYIUXNT-INIZCTEOSA-N 1 3 332.452 0.478 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)CCF)CC2)CC1 ZINC000650798682 440686995 /nfs/dbraw/zinc/68/69/95/440686995.db2.gz GIPZCXRBEGKRCA-CQSZACIVSA-N 1 3 330.448 0.565 20 0 ECADHO CC[NH+](CC)CCCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650555220 440651838 /nfs/dbraw/zinc/65/18/38/440651838.db2.gz UBUGPIDVAMWIHO-UHFFFAOYSA-N 1 3 327.473 0.134 20 0 ECADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@H](CN)C(F)(F)F ZINC000655957002 440658779 /nfs/dbraw/zinc/65/87/79/440658779.db2.gz KTOFPFWHHBZTNE-GFCCVEGCSA-N 1 3 346.353 0.735 20 0 ECADHO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1CNCCC1(F)F ZINC000638984588 440660381 /nfs/dbraw/zinc/66/03/81/440660381.db2.gz OAVKWYJFLYNUTI-GFCCVEGCSA-N 1 3 325.363 0.675 20 0 ECADHO [NH3+]CCC[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655967762 440661453 /nfs/dbraw/zinc/66/14/53/440661453.db2.gz DBDUJYBCVVYZHC-GVDBMIGSSA-N 1 3 332.448 0.927 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1c(C2CC2)cnn1C ZINC000666582036 440661759 /nfs/dbraw/zinc/66/17/59/440661759.db2.gz URZBSHYGOMWGEL-UHFFFAOYSA-N 1 3 336.484 0.932 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656023225 440694008 /nfs/dbraw/zinc/69/40/08/440694008.db2.gz YVWRVLWSDLEJGG-CAOSSQGBSA-N 1 3 336.480 0.753 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656125509 440725749 /nfs/dbraw/zinc/72/57/49/440725749.db2.gz GBNASPBCILMWOI-MELADBBJSA-N 1 3 325.457 0.088 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCC(C)CC1 ZINC000656304583 440758691 /nfs/dbraw/zinc/75/86/91/440758691.db2.gz BWESFSFWAGXPDS-OAGGEKHMSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[N@@H+]1C ZINC000656317376 440766783 /nfs/dbraw/zinc/76/67/83/440766783.db2.gz XARHZIPDKBUEDX-FPCVCCKLSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[N@H+]1C ZINC000656317376 440766787 /nfs/dbraw/zinc/76/67/87/440766787.db2.gz XARHZIPDKBUEDX-FPCVCCKLSA-N 1 3 336.480 0.718 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000629804697 440770141 /nfs/dbraw/zinc/77/01/41/440770141.db2.gz HOOOYAYNNZUEHQ-QGZVFWFLSA-N 1 3 346.475 0.569 20 0 ECADHO COCCN1CC[C@@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000645308364 440781616 /nfs/dbraw/zinc/78/16/16/440781616.db2.gz XFLFAVBFMKAXGK-OAHLLOKOSA-N 1 3 340.468 0.213 20 0 ECADHO COCCN1CC[C@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000645308363 440783167 /nfs/dbraw/zinc/78/31/67/440783167.db2.gz XFLFAVBFMKAXGK-HNNXBMFYSA-N 1 3 340.468 0.213 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656355726 440784924 /nfs/dbraw/zinc/78/49/24/440784924.db2.gz NKWWEFJVXQLXDP-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656355726 440784930 /nfs/dbraw/zinc/78/49/30/440784930.db2.gz NKWWEFJVXQLXDP-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356837 440785963 /nfs/dbraw/zinc/78/59/63/440785963.db2.gz HGTJTLNRCSXWLO-JYJNAYRXSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356837 440785967 /nfs/dbraw/zinc/78/59/67/440785967.db2.gz HGTJTLNRCSXWLO-JYJNAYRXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CNC(=O)c1ccccc1CC(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000635254426 440796645 /nfs/dbraw/zinc/79/66/45/440796645.db2.gz DTUUNIWYBIDDAV-HUUCEWRRSA-N 1 3 348.491 0.975 20 0 ECADHO C[C@H](CNC(=O)Cc1ccccc1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000635254426 440796653 /nfs/dbraw/zinc/79/66/53/440796653.db2.gz DTUUNIWYBIDDAV-HUUCEWRRSA-N 1 3 348.491 0.975 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@H](CO)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000661222250 440817247 /nfs/dbraw/zinc/81/72/47/440817247.db2.gz ZFFZMIPBSGYDFC-HYVNUMGLSA-N 1 3 341.496 0.743 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000635482063 440865482 /nfs/dbraw/zinc/86/54/82/440865482.db2.gz FVCJNZLUCYZEJH-INIZCTEOSA-N 1 3 346.475 0.936 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000635482063 440865487 /nfs/dbraw/zinc/86/54/87/440865487.db2.gz FVCJNZLUCYZEJH-INIZCTEOSA-N 1 3 346.475 0.936 20 0 ECADHO CN(CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CCC1 ZINC000630007583 440827985 /nfs/dbraw/zinc/82/79/85/440827985.db2.gz IUHSIRSTHZQZLB-UHFFFAOYSA-N 1 3 338.496 0.384 20 0 ECADHO Cc1cnc(C)c(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)c1 ZINC000651703831 440913782 /nfs/dbraw/zinc/91/37/82/440913782.db2.gz NOQNPLJXRMLYHF-UHFFFAOYSA-N 1 3 335.452 0.589 20 0 ECADHO Cc1cnc(C)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000651703831 440913789 /nfs/dbraw/zinc/91/37/89/440913789.db2.gz NOQNPLJXRMLYHF-UHFFFAOYSA-N 1 3 335.452 0.589 20 0 ECADHO O=C(N[C@H](CO)CN1CCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000640322806 440899712 /nfs/dbraw/zinc/89/97/12/440899712.db2.gz XRKVNVDMTFFXLD-HOTGVXAUSA-N 1 3 341.521 0.777 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000661686814 440904146 /nfs/dbraw/zinc/90/41/46/440904146.db2.gz JJYGWMXATUKLIY-CVEARBPZSA-N 1 3 338.496 0.917 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000635711282 440959314 /nfs/dbraw/zinc/95/93/14/440959314.db2.gz JCELWWXSCQYGCT-IAGOWNOFSA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000635711282 440959317 /nfs/dbraw/zinc/95/93/17/440959317.db2.gz JCELWWXSCQYGCT-IAGOWNOFSA-N 1 3 341.496 0.914 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)C1 ZINC000646002999 440967469 /nfs/dbraw/zinc/96/74/69/440967469.db2.gz MYZNJZLDGHFCGG-CABCVRRESA-N 1 3 346.479 0.339 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NCC3(C)CC[NH2+]CC3)CC2)C1 ZINC000640475776 440931617 /nfs/dbraw/zinc/93/16/17/440931617.db2.gz GWGQNMZGRYOAAN-MRXNPFEDSA-N 1 3 337.512 0.798 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000635640938 440931778 /nfs/dbraw/zinc/93/17/78/440931778.db2.gz QOCHYACUMRTRGC-ZACQAIPSSA-N 1 3 339.480 0.809 20 0 ECADHO CN(C)[C@H](CNC(=O)Cn1cc(CCC[NH3+])nn1)c1ccccc1 ZINC000640836126 440998504 /nfs/dbraw/zinc/99/85/04/440998504.db2.gz AIUPGUJLMPOLSI-MRXNPFEDSA-N 1 3 330.436 0.589 20 0 ECADHO CN(C)CC[NH+]1CCC(NCc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631039847 441001364 /nfs/dbraw/zinc/00/13/64/441001364.db2.gz MWMHNLCDISZNQF-OAHLLOKOSA-N 1 3 336.484 0.430 20 0 ECADHO c1cnn(CCN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000662338232 441015965 /nfs/dbraw/zinc/01/59/65/441015965.db2.gz PBNBYCXGMJMCRJ-OAHLLOKOSA-N 1 3 329.452 0.895 20 0 ECADHO CC[NH+]1CCC(NC(=O)Cn2cc(CCN3CCCCC3)nn2)CC1 ZINC000640870333 441016834 /nfs/dbraw/zinc/01/68/34/441016834.db2.gz XPOSCCMUKBBWOQ-UHFFFAOYSA-N 1 3 348.495 0.907 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)nn1 ZINC000662426123 441034976 /nfs/dbraw/zinc/03/49/76/441034976.db2.gz MOKPUQVTCZFWOD-CYBMUJFWSA-N 1 3 348.476 0.940 20 0 ECADHO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)CN1CCN(C)CC1 ZINC000631275767 441037978 /nfs/dbraw/zinc/03/79/78/441037978.db2.gz HNDOQHHKFSHTIJ-HNNXBMFYSA-N 1 3 336.484 0.058 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662479263 441051814 /nfs/dbraw/zinc/05/18/14/441051814.db2.gz FLYFPRSUELHCEF-OAHLLOKOSA-N 1 3 328.420 0.583 20 0 ECADHO COCCCNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346580 441056200 /nfs/dbraw/zinc/05/62/00/441056200.db2.gz ARLBMBXTLPODOG-JONQDZQNSA-N 1 3 327.469 0.746 20 0 ECADHO CN(C)C[C@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccc(Cl)cc1 ZINC000662531118 441064149 /nfs/dbraw/zinc/06/41/49/441064149.db2.gz DGIGUDAFWXNWAG-ZDUSSCGKSA-N 1 3 336.827 0.923 20 0 ECADHO CC[N@H+](C)C[C@H](O)Cn1cc(-c2cccc(NC(=O)CNC)c2)nn1 ZINC000641221983 441079447 /nfs/dbraw/zinc/07/94/47/441079447.db2.gz IXVPANCUJNVYDS-HNNXBMFYSA-N 1 3 346.435 0.416 20 0 ECADHO CC[N@@H+](C)C[C@H](O)Cn1cc(-c2cccc(NC(=O)CNC)c2)nn1 ZINC000641221983 441079450 /nfs/dbraw/zinc/07/94/50/441079450.db2.gz IXVPANCUJNVYDS-HNNXBMFYSA-N 1 3 346.435 0.416 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000340211785 321022508 /nfs/dbraw/zinc/02/25/08/321022508.db2.gz DQWXOXWBHKNLSB-INIZCTEOSA-N 1 3 338.496 0.827 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340213622 321023086 /nfs/dbraw/zinc/02/30/86/321023086.db2.gz CBTTYEQOOMZBHX-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340213622 321023087 /nfs/dbraw/zinc/02/30/87/321023087.db2.gz CBTTYEQOOMZBHX-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000340219097 321024543 /nfs/dbraw/zinc/02/45/43/321024543.db2.gz GYCWKAGGOFIGIY-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000340219097 321024544 /nfs/dbraw/zinc/02/45/44/321024544.db2.gz GYCWKAGGOFIGIY-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CN1C1CC1 ZINC000340219367 321024685 /nfs/dbraw/zinc/02/46/85/321024685.db2.gz RWDRKFFLFCZBIQ-RBSFLKMASA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CN1C1CC1 ZINC000340219367 321024687 /nfs/dbraw/zinc/02/46/87/321024687.db2.gz RWDRKFFLFCZBIQ-RBSFLKMASA-N 1 3 336.480 0.576 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340260069 321031106 /nfs/dbraw/zinc/03/11/06/321031106.db2.gz PIPHXJAZNMXNPX-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340260069 321031107 /nfs/dbraw/zinc/03/11/07/321031107.db2.gz PIPHXJAZNMXNPX-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000342045748 321073623 /nfs/dbraw/zinc/07/36/23/321073623.db2.gz USDBVMQJXUOFHF-IJEWVQPXSA-N 1 3 336.480 0.718 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000342045748 321073624 /nfs/dbraw/zinc/07/36/24/321073624.db2.gz USDBVMQJXUOFHF-IJEWVQPXSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000344346134 321147763 /nfs/dbraw/zinc/14/77/63/321147763.db2.gz LBECEDGKKIVTNR-OAHLLOKOSA-N 1 3 326.485 0.132 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C2CC[NH+](C)CC2)c1 ZINC000345921867 321207485 /nfs/dbraw/zinc/20/74/85/321207485.db2.gz DIEVWRMZIWDHCP-UHFFFAOYSA-N 1 3 346.475 0.936 20 0 ECADHO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCCCCC1 ZINC000346058435 321212513 /nfs/dbraw/zinc/21/25/13/321212513.db2.gz MUWQQRFURIHZRE-HOTGVXAUSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCCCCC1 ZINC000346058435 321212515 /nfs/dbraw/zinc/21/25/15/321212515.db2.gz MUWQQRFURIHZRE-HOTGVXAUSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCN1C ZINC000348030594 321263068 /nfs/dbraw/zinc/26/30/68/321263068.db2.gz XSNLEGJXXITLRB-UKRRQHHQSA-N 1 3 336.480 0.576 20 0 ECADHO CN1CCC[C@H]1C(=O)NC(C)(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000348052667 321265718 /nfs/dbraw/zinc/26/57/18/321265718.db2.gz PFOUMUQAKZLIGE-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCC[C@H]1C(=O)NC(C)(C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000348052667 321265719 /nfs/dbraw/zinc/26/57/19/321265719.db2.gz PFOUMUQAKZLIGE-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000351661735 321335715 /nfs/dbraw/zinc/33/57/15/321335715.db2.gz MCTFSAKELGPYMV-PMPSAXMXSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000351661735 321335717 /nfs/dbraw/zinc/33/57/17/321335717.db2.gz MCTFSAKELGPYMV-PMPSAXMXSA-N 1 3 325.501 0.794 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355887183 321514702 /nfs/dbraw/zinc/51/47/02/321514702.db2.gz DLFZHLSFKJUCJX-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000545177171 322106016 /nfs/dbraw/zinc/10/60/16/322106016.db2.gz NTKRLCMUHWXVNY-DOTOQJQBSA-N 1 3 326.485 0.863 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000545177171 322106018 /nfs/dbraw/zinc/10/60/18/322106018.db2.gz NTKRLCMUHWXVNY-DOTOQJQBSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H](Cc1ccncc1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000554604671 322176092 /nfs/dbraw/zinc/17/60/92/322176092.db2.gz GCCWHQAPYPEWNM-OAHLLOKOSA-N 1 3 349.479 0.081 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000561247826 322257460 /nfs/dbraw/zinc/25/74/60/322257460.db2.gz JYZOPRFHHTVBGA-UHFFFAOYSA-N 1 3 342.484 0.108 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3N(C)CCCC3(C)C)C[C@H]2[NH3+])cn1 ZINC000562981387 322290914 /nfs/dbraw/zinc/29/09/14/322290914.db2.gz IIGAPVBUWSMEEI-XHSDSOJGSA-N 1 3 348.495 0.977 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000563131511 322299779 /nfs/dbraw/zinc/29/97/79/322299779.db2.gz NJWODSVGRBNLFQ-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000563620993 322333964 /nfs/dbraw/zinc/33/39/64/322333964.db2.gz SWPDTRBHZQRMPZ-LSDHHAIUSA-N 1 3 326.485 0.727 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000563633586 322335564 /nfs/dbraw/zinc/33/55/64/322335564.db2.gz RFQKZTBSBKNXGJ-UHFFFAOYSA-N 1 3 334.464 0.869 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000563692447 322338865 /nfs/dbraw/zinc/33/88/65/322338865.db2.gz RFQLWMKJCQWHEP-DLBZAZTESA-N 1 3 333.480 0.444 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000563692671 322339185 /nfs/dbraw/zinc/33/91/85/322339185.db2.gz QJWDWCXQUXKMDA-HZPDHXFCSA-N 1 3 325.501 0.925 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000563692671 322339187 /nfs/dbraw/zinc/33/91/87/322339187.db2.gz QJWDWCXQUXKMDA-HZPDHXFCSA-N 1 3 325.501 0.925 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000564328445 322369703 /nfs/dbraw/zinc/36/97/03/322369703.db2.gz OIJBHIUFDGNZJQ-CQSZACIVSA-N 1 3 342.403 0.764 20 0 ECADHO CN(C)C1(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)Cc2ccccc2C1 ZINC000564430885 322374472 /nfs/dbraw/zinc/37/44/72/322374472.db2.gz OMCRXVHWMLEMNV-KRWDZBQOSA-N 1 3 346.475 0.763 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000573935249 322770562 /nfs/dbraw/zinc/77/05/62/322770562.db2.gz UIMTWHRHCIKTKD-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000573983184 322771395 /nfs/dbraw/zinc/77/13/95/322771395.db2.gz MZSVKRXAQKNZSS-OWCLPIDISA-N 1 3 338.496 0.666 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1=O ZINC000579112268 322886642 /nfs/dbraw/zinc/88/66/42/322886642.db2.gz AXIZQIONBAKQCK-DOTOQJQBSA-N 1 3 344.459 0.481 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000343014465 546092532 /nfs/dbraw/zinc/09/25/32/546092532.db2.gz OPQZYJYBSUXFMG-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000625456075 547105643 /nfs/dbraw/zinc/10/56/43/547105643.db2.gz XKBVXOURKWCWMM-SJORKVTESA-N 1 3 348.491 0.816 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1CN(C)C ZINC000667402342 547515481 /nfs/dbraw/zinc/51/54/81/547515481.db2.gz BTJANXPHQXIHIU-CJNGLKHVSA-N 1 3 348.447 0.570 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C[NH+]1CCCC1 ZINC000668581495 547691634 /nfs/dbraw/zinc/69/16/34/547691634.db2.gz FJJGJEUFFQLPDX-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@@H]1CCN(CC)C1 ZINC000668581868 547691837 /nfs/dbraw/zinc/69/18/37/547691837.db2.gz MVMRJVOQWZZCEX-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)[C@@H]1CCN(CC)C1 ZINC000668625584 547705780 /nfs/dbraw/zinc/70/57/80/547705780.db2.gz VDFFQDGRHCKOFX-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668776267 547746785 /nfs/dbraw/zinc/74/67/85/547746785.db2.gz CVWLEETWMPMFHL-UONOGXRCSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668776267 547746789 /nfs/dbraw/zinc/74/67/89/547746789.db2.gz CVWLEETWMPMFHL-UONOGXRCSA-N 1 3 326.485 0.822 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000669220213 547853900 /nfs/dbraw/zinc/85/39/00/547853900.db2.gz GKRDHWILMCHWPN-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000669220213 547853903 /nfs/dbraw/zinc/85/39/03/547853903.db2.gz GKRDHWILMCHWPN-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669444079 547890585 /nfs/dbraw/zinc/89/05/85/547890585.db2.gz VHJSJIFNDVAHBH-CABCVRRESA-N 1 3 339.484 0.370 20 0 ECADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000669491526 547898168 /nfs/dbraw/zinc/89/81/68/547898168.db2.gz QZVZINGWPCTHNX-YESZJQIVSA-N 1 3 332.448 0.762 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000669529772 547903089 /nfs/dbraw/zinc/90/30/89/547903089.db2.gz BODPHKHYGUDVHG-LSDHHAIUSA-N 1 3 339.484 0.357 20 0 ECADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000670783621 548049745 /nfs/dbraw/zinc/04/97/45/548049745.db2.gz YOFHDNQCUIYRKO-UHFFFAOYSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100932 548091662 /nfs/dbraw/zinc/09/16/62/548091662.db2.gz QREFXKVMWHWINT-PMPSAXMXSA-N 1 3 334.464 0.330 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100932 548091667 /nfs/dbraw/zinc/09/16/67/548091667.db2.gz QREFXKVMWHWINT-PMPSAXMXSA-N 1 3 334.464 0.330 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671179925 548105158 /nfs/dbraw/zinc/10/51/58/548105158.db2.gz KYRQOQMTPOAQDR-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671179925 548105161 /nfs/dbraw/zinc/10/51/61/548105161.db2.gz KYRQOQMTPOAQDR-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671179922 548105523 /nfs/dbraw/zinc/10/55/23/548105523.db2.gz KYRQOQMTPOAQDR-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671179922 548105527 /nfs/dbraw/zinc/10/55/27/548105527.db2.gz KYRQOQMTPOAQDR-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000671182110 548107383 /nfs/dbraw/zinc/10/73/83/548107383.db2.gz JWYRQNFEBWYDIX-BBWFWOEESA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000671182110 548107386 /nfs/dbraw/zinc/10/73/86/548107386.db2.gz JWYRQNFEBWYDIX-BBWFWOEESA-N 1 3 348.491 0.816 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000672204680 548281217 /nfs/dbraw/zinc/28/12/17/548281217.db2.gz VVGKKWPQTKWPMG-CVEARBPZSA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672304242 548300538 /nfs/dbraw/zinc/30/05/38/548300538.db2.gz NSAIJBRJDOFCBY-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+](C)CCOc1ccc(CN2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000680650725 549191440 /nfs/dbraw/zinc/19/14/40/549191440.db2.gz OREFJAUFEHNFHU-UHFFFAOYSA-N 1 3 346.431 0.801 20 0 ECADHO CN(C(=O)N[C@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681211572 549236481 /nfs/dbraw/zinc/23/64/81/549236481.db2.gz UZXIVCZFNLSNQL-DOTOQJQBSA-N 1 3 337.512 0.891 20 0 ECADHO CN(C(=O)N[C@H]1CCCN(C)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681211572 549236483 /nfs/dbraw/zinc/23/64/83/549236483.db2.gz UZXIVCZFNLSNQL-DOTOQJQBSA-N 1 3 337.512 0.891 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=S)NCCC[NH+](C)C)CC2)C1 ZINC000734308473 578356064 /nfs/dbraw/zinc/35/60/64/578356064.db2.gz DRPSSNVPPGITIF-OAHLLOKOSA-N 1 3 327.542 0.524 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCN1CCN(C)C(C)(C)C1 ZINC000799510288 578666739 /nfs/dbraw/zinc/66/67/39/578666739.db2.gz ZNMKGCNILUMRQK-OAHLLOKOSA-N 1 3 341.569 0.961 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCN1CCN(C)C(C)(C)C1 ZINC000799510288 578666740 /nfs/dbraw/zinc/66/67/40/578666740.db2.gz ZNMKGCNILUMRQK-OAHLLOKOSA-N 1 3 341.569 0.961 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)N1CCCCC1 ZINC000793713715 578936902 /nfs/dbraw/zinc/93/69/02/578936902.db2.gz AHQQEQGETGRNJN-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)N1CCCCC1 ZINC000793713715 578936904 /nfs/dbraw/zinc/93/69/04/578936904.db2.gz AHQQEQGETGRNJN-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H]1CN(C(=S)NCCC[NH+](C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000763307555 579558499 /nfs/dbraw/zinc/55/84/99/579558499.db2.gz YLWZQTMWQDQMOF-HOTGVXAUSA-N 1 3 341.569 0.770 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000841018038 588976154 /nfs/dbraw/zinc/97/61/54/588976154.db2.gz ONMZVZWQKSHYCB-KRWDZBQOSA-N 1 3 347.463 0.938 20 0 ECADHO O=C(N[C@H]1CNCCC1(F)F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000842005931 589007902 /nfs/dbraw/zinc/00/79/02/589007902.db2.gz TUFLBRVSLXVOCH-ZDUSSCGKSA-N 1 3 325.363 0.910 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000842015385 589008317 /nfs/dbraw/zinc/00/83/17/589008317.db2.gz KECHXKRHHMOFAR-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)CCC1 ZINC000842154890 589015344 /nfs/dbraw/zinc/01/53/44/589015344.db2.gz YJOFBOQRMQVSJJ-UHFFFAOYSA-N 1 3 332.448 0.405 20 0 ECADHO CS[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000807767545 586066049 /nfs/dbraw/zinc/06/60/49/586066049.db2.gz ZRBPSLQFBUWURU-ZIAGYGMSSA-N 1 3 344.525 0.339 20 0 ECADHO CC[NH+](CC)CCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000891464252 586169724 /nfs/dbraw/zinc/16/97/24/586169724.db2.gz WGLGGZVEDVVUFM-JKSUJKDBSA-N 1 3 326.485 0.959 20 0 ECADHO CCN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000891481116 586170881 /nfs/dbraw/zinc/17/08/81/586170881.db2.gz CXFDUXCTFWNQQY-HUUCEWRRSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891536285 586174749 /nfs/dbraw/zinc/17/47/49/586174749.db2.gz RAYRDOLHEXGLES-GASCZTMLSA-N 1 3 337.468 0.075 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)N1CCN(C)CC1 ZINC000891753521 586194791 /nfs/dbraw/zinc/19/47/91/586194791.db2.gz YQKVVBQBCPGRQL-IXDOHACOSA-N 1 3 337.512 0.604 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)N1CCN(C)CC1 ZINC000891753521 586194793 /nfs/dbraw/zinc/19/47/93/586194793.db2.gz YQKVVBQBCPGRQL-IXDOHACOSA-N 1 3 337.512 0.604 20 0 ECADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CNCCC1(F)F ZINC000892157526 586225241 /nfs/dbraw/zinc/22/52/41/586225241.db2.gz YAKGIGPQBMGYLC-NWDGAFQWSA-N 1 3 332.395 0.442 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CNCCO3)C2)cc1 ZINC000892180649 586227559 /nfs/dbraw/zinc/22/75/59/586227559.db2.gz OEVDCHFISWZVKE-DLBZAZTESA-N 1 3 332.448 0.857 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000892180649 586227562 /nfs/dbraw/zinc/22/75/62/586227562.db2.gz OEVDCHFISWZVKE-DLBZAZTESA-N 1 3 332.448 0.857 20 0 ECADHO COc1cccc2c(C(=O)N(CCN(C)C)CC[NH+](C)C)cnn21 ZINC000896681571 586266803 /nfs/dbraw/zinc/26/68/03/586266803.db2.gz NBIZEPALGRTGFE-UHFFFAOYSA-N 1 3 333.436 0.908 20 0 ECADHO CC(C)[NH+]1CCC(CCNC(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000892501121 586269998 /nfs/dbraw/zinc/26/99/98/586269998.db2.gz KFTXDTGKAOKCMS-MRXNPFEDSA-N 1 3 325.501 0.781 20 0 ECADHO CN1C[C@@H]2CCN(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)[C@@H]2C1 ZINC000892521727 586271291 /nfs/dbraw/zinc/27/12/91/586271291.db2.gz CKPXBZNPQHLTSD-MAUKXSAKSA-N 1 3 349.523 0.891 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)CN1CCN(C)CC1 ZINC000893237587 586318703 /nfs/dbraw/zinc/31/87/03/586318703.db2.gz OWSPMDGIOUBGKH-IXDOHACOSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C)CN1CCN(C)CC1 ZINC000893237587 586318705 /nfs/dbraw/zinc/31/87/05/586318705.db2.gz OWSPMDGIOUBGKH-IXDOHACOSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H]1CCCN1CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000897482346 586331385 /nfs/dbraw/zinc/33/13/85/586331385.db2.gz QJMJBNPCKWYPID-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO C[C@H]1CCCN1CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000897482346 586331388 /nfs/dbraw/zinc/33/13/88/586331388.db2.gz QJMJBNPCKWYPID-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000898356239 586417941 /nfs/dbraw/zinc/41/79/41/586417941.db2.gz MHCHHJXHCFKSBD-GDBMZVCRSA-N 1 3 325.453 0.900 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H](NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000843126671 589051879 /nfs/dbraw/zinc/05/18/79/589051879.db2.gz SOULZNSJBSAIBJ-CMPLNLGQSA-N 1 3 325.425 0.838 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCOC12CCOCC2 ZINC000898795332 586451309 /nfs/dbraw/zinc/45/13/09/586451309.db2.gz LDTRNTOQKISDJJ-HNNXBMFYSA-N 1 3 342.484 0.459 20 0 ECADHO CCN1CCC([NH+]2CCC(C(=O)NCCN(C)CCO)CC2)CC1 ZINC000899737322 586504122 /nfs/dbraw/zinc/50/41/22/586504122.db2.gz HGVZGMOSNOARLN-UHFFFAOYSA-N 1 3 340.512 0.223 20 0 ECADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000900685406 586656083 /nfs/dbraw/zinc/65/60/83/586656083.db2.gz RTCASNBRHUFECQ-SJLPKXTDSA-N 1 3 339.480 0.593 20 0 ECADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000900685406 586656085 /nfs/dbraw/zinc/65/60/85/586656085.db2.gz RTCASNBRHUFECQ-SJLPKXTDSA-N 1 3 339.480 0.593 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000901162133 586699800 /nfs/dbraw/zinc/69/98/00/586699800.db2.gz LFCVEVIXTMPVBJ-KONPQCLYSA-N 1 3 339.480 0.543 20 0 ECADHO CC(C)[NH+]1CCN(CCCC(=O)NCCN2CCCOCC2)CC1 ZINC000907614230 586746700 /nfs/dbraw/zinc/74/67/00/586746700.db2.gz XGOALIJGWHCYEP-UHFFFAOYSA-N 1 3 340.512 0.631 20 0 ECADHO COCCCNC(=O)C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723315 586801806 /nfs/dbraw/zinc/80/18/06/586801806.db2.gz VDHYDNOFWCUTQI-FUHWJXTLSA-N 1 3 339.480 0.620 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC23CCN(C)CC3)C[C@H]1CC[NH3+] ZINC000903750673 586804693 /nfs/dbraw/zinc/80/46/93/586804693.db2.gz QGAQFXGYAXEGCE-HUUCEWRRSA-N 1 3 336.480 0.517 20 0 ECADHO CCN(CC)S(=O)(=O)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903877508 586822326 /nfs/dbraw/zinc/82/23/26/586822326.db2.gz BBRJTQJIEFOWQJ-MQVJKMGUSA-N 1 3 344.525 0.721 20 0 ECADHO Cc1nc(CC2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)no1 ZINC000903988653 586829534 /nfs/dbraw/zinc/82/95/34/586829534.db2.gz WAPBAJQXKLMJMR-OAHLLOKOSA-N 1 3 335.452 0.830 20 0 ECADHO C[C@]1([C@H]2CCC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)COC(=O)N1 ZINC000903986737 586829546 /nfs/dbraw/zinc/82/95/46/586829546.db2.gz QOUXILCADBCRHJ-JKIFEVAISA-N 1 3 338.452 0.394 20 0 ECADHO C[C@]1([C@H]2CCC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)COC(=O)N1 ZINC000903986737 586829548 /nfs/dbraw/zinc/82/95/48/586829548.db2.gz QOUXILCADBCRHJ-JKIFEVAISA-N 1 3 338.452 0.394 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])CCC1 ZINC000904969127 586850950 /nfs/dbraw/zinc/85/09/50/586850950.db2.gz BZBNEBDJOJYQRA-KSSFIOAISA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905295375 586882234 /nfs/dbraw/zinc/88/22/34/586882234.db2.gz RYBJBRXLTXQYIP-KRWDZBQOSA-N 1 3 327.513 0.906 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccccc1CN ZINC000906661593 586967511 /nfs/dbraw/zinc/96/75/11/586967511.db2.gz RJTKRLVIJBHILM-UHFFFAOYSA-N 1 3 336.436 0.558 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)NC2CCN(Cc3cccnc3)CC2)C1 ZINC000906701030 586967921 /nfs/dbraw/zinc/96/79/21/586967921.db2.gz UURJOHLKXUVMMH-UHFFFAOYSA-N 1 3 345.491 0.656 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)NC2CCN(Cc3cccnc3)CC2)C1 ZINC000906701030 586967923 /nfs/dbraw/zinc/96/79/23/586967923.db2.gz UURJOHLKXUVMMH-UHFFFAOYSA-N 1 3 345.491 0.656 20 0 ECADHO CN(CCNC(=O)C1CN(C)CC[N@H+](C)C1)Cc1ccc(F)cc1 ZINC000906906613 586992511 /nfs/dbraw/zinc/99/25/11/586992511.db2.gz IWKMKSVZJZWEIW-UHFFFAOYSA-N 1 3 336.455 0.867 20 0 ECADHO CN(CCNC(=O)C1CN(C)CC[N@@H+](C)C1)Cc1ccc(F)cc1 ZINC000906906613 586992514 /nfs/dbraw/zinc/99/25/14/586992514.db2.gz IWKMKSVZJZWEIW-UHFFFAOYSA-N 1 3 336.455 0.867 20 0 ECADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000808194202 587148271 /nfs/dbraw/zinc/14/82/71/587148271.db2.gz ZJJNZOAPMUUWFO-GJZGRUSLSA-N 1 3 349.479 0.519 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000817926522 587392132 /nfs/dbraw/zinc/39/21/32/587392132.db2.gz LKAPHAJXKGASNG-KRWDZBQOSA-N 1 3 346.475 0.569 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817934206 587392838 /nfs/dbraw/zinc/39/28/38/587392838.db2.gz COHMUAJTFSMHLK-APWZRJJASA-N 1 3 348.491 0.818 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817948278 587393333 /nfs/dbraw/zinc/39/33/33/587393333.db2.gz WLZYPVMZHDMMMY-IBGZPJMESA-N 1 3 348.491 0.818 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(CN(C)C)cc2)C[C@H]1[NH3+] ZINC000817954316 587393341 /nfs/dbraw/zinc/39/33/41/587393341.db2.gz YMORJZCVEWAEIA-CZUORRHYSA-N 1 3 332.448 0.512 20 0 ECADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818987388 587463490 /nfs/dbraw/zinc/46/34/90/587463490.db2.gz XAZXLYBFCPASGE-CPUCHLNUSA-N 1 3 343.468 0.715 20 0 ECADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818987388 587463492 /nfs/dbraw/zinc/46/34/92/587463492.db2.gz XAZXLYBFCPASGE-CPUCHLNUSA-N 1 3 343.468 0.715 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cn2ccnn2)o1 ZINC000824826673 587896494 /nfs/dbraw/zinc/89/64/94/587896494.db2.gz MVLSRDCZGBDYQV-AWEZNQCLSA-N 1 3 348.451 0.921 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cn2ccnn2)o1 ZINC000824826673 587896496 /nfs/dbraw/zinc/89/64/96/587896496.db2.gz MVLSRDCZGBDYQV-AWEZNQCLSA-N 1 3 348.451 0.921 20 0 ECADHO NCc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000825627640 587953959 /nfs/dbraw/zinc/95/39/59/587953959.db2.gz OJEZRWFYCACVFU-DOTOQJQBSA-N 1 3 344.459 0.866 20 0 ECADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000826839606 588086637 /nfs/dbraw/zinc/08/66/37/588086637.db2.gz BMPWRXXDHVCCJK-HUUCEWRRSA-N 1 3 341.500 0.868 20 0 ECADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000826839606 588086639 /nfs/dbraw/zinc/08/66/39/588086639.db2.gz BMPWRXXDHVCCJK-HUUCEWRRSA-N 1 3 341.500 0.868 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000827936990 588147652 /nfs/dbraw/zinc/14/76/52/588147652.db2.gz ZIWBAJVMKMYANE-ZWKOTPCHSA-N 1 3 329.444 0.968 20 0 ECADHO Cc1cc([C@H](N)CC(=O)NCCN2CC[NH2+]CC2)cc(Cl)n1 ZINC000832393129 588481619 /nfs/dbraw/zinc/48/16/19/588481619.db2.gz JNBPGUODOVFLRN-CYBMUJFWSA-N 1 3 325.844 0.455 20 0 ECADHO [NH3+]CCCCCCN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000846220083 589191743 /nfs/dbraw/zinc/19/17/43/589191743.db2.gz AWXZFZPRNFPQLH-UHFFFAOYSA-N 1 3 348.495 0.954 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CCN1CCCCC1)[NH+]1CCCCC1 ZINC000846723824 589220725 /nfs/dbraw/zinc/22/07/25/589220725.db2.gz BWKUQHKGPZXIFS-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000851686096 589414008 /nfs/dbraw/zinc/41/40/08/589414008.db2.gz JCVJCQVVXGPRSP-HNAYVOBHSA-N 1 3 346.475 0.739 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000852863904 589519386 /nfs/dbraw/zinc/51/93/86/589519386.db2.gz KPNJRZVRNIXKGL-RRFJBIMHSA-N 1 3 348.451 0.186 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852863869 589519448 /nfs/dbraw/zinc/51/94/48/589519448.db2.gz SOSZQRUXOPYBDQ-QLFBSQMISA-N 1 3 337.468 0.107 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852863869 589519449 /nfs/dbraw/zinc/51/94/49/589519449.db2.gz SOSZQRUXOPYBDQ-QLFBSQMISA-N 1 3 337.468 0.107 20 0 ECADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C3=NO[C@@H](CN)C3)cc2)CC1 ZINC000852873318 589521066 /nfs/dbraw/zinc/52/10/66/589521066.db2.gz RLCLZTSPCWMBEC-OAHLLOKOSA-N 1 3 331.420 0.871 20 0 ECADHO C[N@H+]1CCCN(c2ccc(NC(=O)C3=NO[C@@H](CN)C3)cc2)CC1 ZINC000852873318 589521067 /nfs/dbraw/zinc/52/10/67/589521067.db2.gz RLCLZTSPCWMBEC-OAHLLOKOSA-N 1 3 331.420 0.871 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1COC(C)(C)OC1 ZINC000853987692 589567193 /nfs/dbraw/zinc/56/71/93/589567193.db2.gz OMPDZDQVUIXWLO-ZDUSSCGKSA-N 1 3 330.473 0.709 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1COC(C)(C)OC1 ZINC000853987692 589567195 /nfs/dbraw/zinc/56/71/95/589567195.db2.gz OMPDZDQVUIXWLO-ZDUSSCGKSA-N 1 3 330.473 0.709 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCOC2CCOCC2)C1 ZINC000866712255 589762528 /nfs/dbraw/zinc/76/25/28/589762528.db2.gz RVNYHYILWHLXAE-VHDGCEQUSA-N 1 3 325.409 0.049 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867570947 589808090 /nfs/dbraw/zinc/80/80/90/589808090.db2.gz BKYCKHKOLSVNFA-YVSFHVDLSA-N 1 3 348.491 0.624 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867570947 589808092 /nfs/dbraw/zinc/80/80/92/589808092.db2.gz BKYCKHKOLSVNFA-YVSFHVDLSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)C2)C1 ZINC000867797974 589844120 /nfs/dbraw/zinc/84/41/20/589844120.db2.gz FAICNISXYMXSRB-GJYPPUQNSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)C2)C1 ZINC000867797974 589844122 /nfs/dbraw/zinc/84/41/22/589844122.db2.gz FAICNISXYMXSRB-GJYPPUQNSA-N 1 3 348.491 0.483 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC000861719429 589880032 /nfs/dbraw/zinc/88/00/32/589880032.db2.gz IDIZWQKPLPLVFE-MANSERQUSA-N 1 3 343.471 0.999 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC000861719429 589880033 /nfs/dbraw/zinc/88/00/33/589880033.db2.gz IDIZWQKPLPLVFE-MANSERQUSA-N 1 3 343.471 0.999 20 0 ECADHO COCCN(C)CCCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868226861 589882073 /nfs/dbraw/zinc/88/20/73/589882073.db2.gz KUVDOBVMFDZWGW-JKSUJKDBSA-N 1 3 348.447 0.524 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000868412992 589903576 /nfs/dbraw/zinc/90/35/76/589903576.db2.gz AVEWTERBXDGRBG-UAGQMJEPSA-N 1 3 348.491 0.802 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000868412992 589903579 /nfs/dbraw/zinc/90/35/79/589903579.db2.gz AVEWTERBXDGRBG-UAGQMJEPSA-N 1 3 348.491 0.802 20 0 ECADHO CN1CCN(C2CCN(C(=O)NCC3([NH+](C)C)CCC3)CC2)CC1 ZINC000868525641 589912288 /nfs/dbraw/zinc/91/22/88/589912288.db2.gz BDHJUIMJJGEBMC-UHFFFAOYSA-N 1 3 337.512 0.892 20 0 ECADHO CC(CNC(=O)CN(C)C1CCC1)CNC(=O)CN(C)C1CCC1 ZINC000863920947 590044961 /nfs/dbraw/zinc/04/49/61/590044961.db2.gz ZXMDJJFVLNHHGM-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CC(CNC(=O)CN(C)C1CCC1)CNC(=O)C[N@H+](C)C1CCC1 ZINC000863920947 590044962 /nfs/dbraw/zinc/04/49/62/590044962.db2.gz ZXMDJJFVLNHHGM-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CC(CNC(=O)CN(C)C1CCC1)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000863920947 590044963 /nfs/dbraw/zinc/04/49/63/590044963.db2.gz ZXMDJJFVLNHHGM-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO Cn1ncc2cc(C[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)cnc21 ZINC000865450325 590145883 /nfs/dbraw/zinc/14/58/83/590145883.db2.gz LERFMMXKGYHYKP-CQSZACIVSA-N 1 3 330.436 0.645 20 0 ECADHO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc3c(s2)CCNC3)C1 ZINC000873212666 590186711 /nfs/dbraw/zinc/18/67/11/590186711.db2.gz OJIKPBSPMWTYAN-NSHDSACASA-N 1 3 329.491 0.765 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000875061521 590266560 /nfs/dbraw/zinc/26/65/60/590266560.db2.gz LYIIJYULHCBYGG-PMPSAXMXSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000875061521 590266562 /nfs/dbraw/zinc/26/65/62/590266562.db2.gz LYIIJYULHCBYGG-PMPSAXMXSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCC1(C)C ZINC000875177668 590278513 /nfs/dbraw/zinc/27/85/13/590278513.db2.gz HUFLRIRRJHPAQY-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCC1(C)C ZINC000875177668 590278514 /nfs/dbraw/zinc/27/85/14/590278514.db2.gz HUFLRIRRJHPAQY-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO COC[C@@]1(CN(C)C)COCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000876475652 590380293 /nfs/dbraw/zinc/38/02/93/590380293.db2.gz PLBGOSQGRUYPQN-SFHVURJKSA-N 1 3 341.496 0.912 20 0 ECADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752675 590408758 /nfs/dbraw/zinc/40/87/58/590408758.db2.gz WDKFDYPQAMUZPR-JFDDCEBESA-N 1 3 334.464 0.309 20 0 ECADHO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752678 590409121 /nfs/dbraw/zinc/40/91/21/590409121.db2.gz WDKFDYPQAMUZPR-SQRWCISFSA-N 1 3 334.464 0.309 20 0 ECADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000876876722 590420909 /nfs/dbraw/zinc/42/09/09/590420909.db2.gz JDHXHLVTPZQFTB-GVKUHWBJSA-N 1 3 334.508 0.884 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876879511 590421630 /nfs/dbraw/zinc/42/16/30/590421630.db2.gz BIBYGWJKPWEXOZ-NFAHFFEMSA-N 1 3 337.464 0.934 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000877008847 590433084 /nfs/dbraw/zinc/43/30/84/590433084.db2.gz AODCSNAOWGOTSP-HIFRSBDPSA-N 1 3 336.411 0.864 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)/C=C\[C@H]3CCC[NH2+]C3)c2)nn1 ZINC000877206552 590444622 /nfs/dbraw/zinc/44/46/22/590444622.db2.gz KFFAJZYZWFQZQT-LMVHVUTASA-N 1 3 340.431 0.898 20 0 ECADHO C[C@H]1CC[NH2+][C@H](C(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000877205946 590444775 /nfs/dbraw/zinc/44/47/75/590444775.db2.gz BITLDVZPHLFWPH-LRDDRELGSA-N 1 3 328.420 0.730 20 0 ECADHO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207283 590444947 /nfs/dbraw/zinc/44/49/47/590444947.db2.gz RAEMUEFVUGUATP-OAHLLOKOSA-N 1 3 328.420 0.730 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)c2)nn1 ZINC000877207468 590445039 /nfs/dbraw/zinc/44/50/39/590445039.db2.gz XRTWEAYSWVNUOT-IRXDYDNUSA-N 1 3 340.431 0.873 20 0 ECADHO c1nnnn1CCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000883436594 590617718 /nfs/dbraw/zinc/61/77/18/590617718.db2.gz XAGOYFIUIWBDFF-UHFFFAOYSA-N 1 3 330.440 0.743 20 0 ECADHO c1nnnn1CCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000883436594 590617720 /nfs/dbraw/zinc/61/77/20/590617720.db2.gz XAGOYFIUIWBDFF-UHFFFAOYSA-N 1 3 330.440 0.743 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884970729 590657621 /nfs/dbraw/zinc/65/76/21/590657621.db2.gz QYLLNRVKHZPDPA-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000885012852 590669189 /nfs/dbraw/zinc/66/91/89/590669189.db2.gz PZHOUMFBPTXCAS-FZKCQIBNSA-N 1 3 334.464 0.330 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884230137 590782850 /nfs/dbraw/zinc/78/28/50/590782850.db2.gz JYGORTFBROXCAC-HNNXBMFYSA-N 1 3 331.464 0.905 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884230137 590782853 /nfs/dbraw/zinc/78/28/53/590782853.db2.gz JYGORTFBROXCAC-HNNXBMFYSA-N 1 3 331.464 0.905 20 0 ECADHO C[NH2+]CCOc1cccc(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000884233042 590783783 /nfs/dbraw/zinc/78/37/83/590783783.db2.gz HISRHXBIZIMNNK-UHFFFAOYSA-N 1 3 334.464 0.652 20 0 ECADHO COCC[C@@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000884234209 590784462 /nfs/dbraw/zinc/78/44/62/590784462.db2.gz LUQYCJSTGSCMSL-QGZVFWFLSA-N 1 3 334.464 0.414 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CN1C1CC1 ZINC000884233482 590784985 /nfs/dbraw/zinc/78/49/85/590784985.db2.gz QVOIDPRJIONTRY-HIFRSBDPSA-N 1 3 329.448 0.846 20 0 ECADHO COCC1(CNC(=O)c2ccnc(N3CCNCC3)c2)CC[NH2+]CC1 ZINC000884283825 590796372 /nfs/dbraw/zinc/79/63/72/590796372.db2.gz VFICQJAELBLERV-UHFFFAOYSA-N 1 3 347.463 0.237 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(N4CCNCC4)c3)CC[C@@H]21 ZINC000884471105 590836101 /nfs/dbraw/zinc/83/61/01/590836101.db2.gz LNDGJYYPCLLRPY-CVEARBPZSA-N 1 3 329.448 0.657 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc(N4CCNCC4)c3)CC[C@@H]21 ZINC000884471105 590836105 /nfs/dbraw/zinc/83/61/05/590836105.db2.gz LNDGJYYPCLLRPY-CVEARBPZSA-N 1 3 329.448 0.657 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000884503142 590845298 /nfs/dbraw/zinc/84/52/98/590845298.db2.gz CCZZNWIBSXWBNC-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000884518318 590849180 /nfs/dbraw/zinc/84/91/80/590849180.db2.gz LLYDYLANTKBIKD-ZFWWWQNUSA-N 1 3 348.447 0.191 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC(C)CC1 ZINC000884559090 590857542 /nfs/dbraw/zinc/85/75/42/590857542.db2.gz MEGQVXQSWWBQEL-JYJNAYRXSA-N 1 3 336.480 0.432 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884577748 590862667 /nfs/dbraw/zinc/86/26/67/590862667.db2.gz LMWKBPDYWIGWLL-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000884632515 590879218 /nfs/dbraw/zinc/87/92/18/590879218.db2.gz PCCLZWGMPMSIKD-DZGCQCFKSA-N 1 3 345.447 0.362 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884692374 590899200 /nfs/dbraw/zinc/89/92/00/590899200.db2.gz VDEVWHPISHWSIZ-GJZGRUSLSA-N 1 3 345.447 0.235 20 0 ECADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000886935224 590906731 /nfs/dbraw/zinc/90/67/31/590906731.db2.gz CIBLETNEFRTPBJ-LLVKDONJSA-N 1 3 330.383 0.811 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884717731 590906927 /nfs/dbraw/zinc/90/69/27/590906927.db2.gz KHIBCXAKHJEMAJ-FMKPAKJESA-N 1 3 345.447 0.233 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1(C)C ZINC000884726190 590911783 /nfs/dbraw/zinc/91/17/83/590911783.db2.gz KPFOZNOBYILAIA-RRFJBIMHSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884729391 590913256 /nfs/dbraw/zinc/91/32/56/590913256.db2.gz OBIMSSFWCTVUGH-IHRRRGAJSA-N 1 3 333.436 0.361 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000884776055 590919215 /nfs/dbraw/zinc/91/92/15/590919215.db2.gz NVLRSBYZCKQTJI-QEOTZNIISA-N 1 3 348.491 0.766 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@H]13)C2 ZINC000884776192 590919550 /nfs/dbraw/zinc/91/95/50/590919550.db2.gz OUASUTSIHCEGEK-LUXYFRNMSA-N 1 3 334.464 0.187 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887081450 590939676 /nfs/dbraw/zinc/93/96/76/590939676.db2.gz UFIVCPVBEHVIBU-QAPCUYQASA-N 1 3 336.480 0.531 20 0 ECADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cn1 ZINC000887923391 591020596 /nfs/dbraw/zinc/02/05/96/591020596.db2.gz ZESZXQWDKSRHBP-MTNOOBJLSA-N 1 3 345.491 0.866 20 0 ECADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cn1 ZINC000887923391 591020601 /nfs/dbraw/zinc/02/06/01/591020601.db2.gz ZESZXQWDKSRHBP-MTNOOBJLSA-N 1 3 345.491 0.866 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000929922721 611367686 /nfs/dbraw/zinc/36/76/86/611367686.db2.gz KKPMNPVLVNZILL-IKGGRYGDSA-N 1 3 338.496 0.959 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000929922721 611367687 /nfs/dbraw/zinc/36/76/87/611367687.db2.gz KKPMNPVLVNZILL-IKGGRYGDSA-N 1 3 338.496 0.959 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000930202228 611400291 /nfs/dbraw/zinc/40/02/91/611400291.db2.gz LEDGCRMGJFAMFH-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000935696905 611395942 /nfs/dbraw/zinc/39/59/42/611395942.db2.gz MIVTYUQKMIBZTJ-HNNXBMFYSA-N 1 3 339.480 0.809 20 0 ECADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924855103 611435836 /nfs/dbraw/zinc/43/58/36/611435836.db2.gz VINBUMQFPFTDJD-OLZOCXBDSA-N 1 3 341.477 0.936 20 0 ECADHO N[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)C12CCC2 ZINC000925544671 611486607 /nfs/dbraw/zinc/48/66/07/611486607.db2.gz UKFDLEKAODRDCD-HOTGVXAUSA-N 1 3 343.475 0.980 20 0 ECADHO c1cnc(N2CCN(CCCN[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)nc1 ZINC000925537216 611486659 /nfs/dbraw/zinc/48/66/59/611486659.db2.gz VBIBFTDOUNIBEP-TXTZMMAHSA-N 1 3 342.491 0.575 20 0 ECADHO O=C1COC[C@]2(CN[C@@H]3CC[NH2+]C[C@H]3C3CCCC3)COCCN12 ZINC000925727683 611495765 /nfs/dbraw/zinc/49/57/65/611495765.db2.gz QELPGBYIXZCVBM-JZXOWHBKSA-N 1 3 337.464 0.372 20 0 ECADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000926867810 611573875 /nfs/dbraw/zinc/57/38/75/611573875.db2.gz UDXNLMXFGPIRKZ-TUVJXNFZSA-N 1 3 336.524 0.713 20 0 ECADHO Cc1cnc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000932430915 611624909 /nfs/dbraw/zinc/62/49/09/611624909.db2.gz OWLNJLOIJYABII-UHFFFAOYSA-N 1 3 349.479 0.266 20 0 ECADHO CCO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)C[NH+](C)C ZINC000927866684 611647475 /nfs/dbraw/zinc/64/74/75/611647475.db2.gz PQWWMOZNRGZQQY-OAHLLOKOSA-N 1 3 334.420 0.311 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926389195 608820434 /nfs/dbraw/zinc/82/04/34/608820434.db2.gz NYNPZUWKKZHKKG-SFHVURJKSA-N 1 3 336.480 0.675 20 0 ECADHO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C[C@H]1CN2CCC[C@@H]2CO1 ZINC000924560181 608938380 /nfs/dbraw/zinc/93/83/80/608938380.db2.gz LWNJTLQXKFSFMF-RBSFLKMASA-N 1 3 336.436 0.256 20 0 ECADHO COCC[NH+]1CCC2(CC1)CN(C(=O)CN(C)C1CCC1)CCO2 ZINC000949115288 609058682 /nfs/dbraw/zinc/05/86/82/609058682.db2.gz YKXRPDRMWZNUGG-UHFFFAOYSA-N 1 3 339.480 0.811 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000938007650 609456750 /nfs/dbraw/zinc/45/67/50/609456750.db2.gz IXPRYWHFJHALOO-JYJNAYRXSA-N 1 3 336.480 0.386 20 0 ECADHO O=C(CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)NCCN1CCCCC1 ZINC000909312627 609693719 /nfs/dbraw/zinc/69/37/19/609693719.db2.gz LCRMTHZYLPLHOP-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO O=C(CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)NCCN1CCCCC1 ZINC000909312627 609693720 /nfs/dbraw/zinc/69/37/20/609693720.db2.gz LCRMTHZYLPLHOP-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910554641 609734858 /nfs/dbraw/zinc/73/48/58/609734858.db2.gz MSYHVITWVNOZIN-MAUKXSAKSA-N 1 3 338.496 0.443 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910554641 609734859 /nfs/dbraw/zinc/73/48/59/609734859.db2.gz MSYHVITWVNOZIN-MAUKXSAKSA-N 1 3 338.496 0.443 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000910716918 609755568 /nfs/dbraw/zinc/75/55/68/609755568.db2.gz SRVSJXUWFGGKLH-RLFYNMQTSA-N 1 3 336.480 0.338 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000910716918 609755569 /nfs/dbraw/zinc/75/55/69/609755569.db2.gz SRVSJXUWFGGKLH-RLFYNMQTSA-N 1 3 336.480 0.338 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)c1ccccc1 ZINC000910964129 609783769 /nfs/dbraw/zinc/78/37/69/609783769.db2.gz SVVXCGGOXWJBMT-HNNXBMFYSA-N 1 3 332.448 0.793 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(Cc2ccncc2OCCC[NH+](C)C)C1=O ZINC000925376103 609791949 /nfs/dbraw/zinc/79/19/49/609791949.db2.gz KCBWNUBAPMUOAZ-CQSZACIVSA-N 1 3 349.435 0.394 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC000911054104 609795575 /nfs/dbraw/zinc/79/55/75/609795575.db2.gz DRKFUYGBCPFCED-HNNXBMFYSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911055717 609795802 /nfs/dbraw/zinc/79/58/02/609795802.db2.gz QOKMKZSNKQXVPX-CRAIPNDOSA-N 1 3 336.480 0.722 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911211897 609826539 /nfs/dbraw/zinc/82/65/39/609826539.db2.gz VIPSTRJCSWBCRH-DJIMGWMZSA-N 1 3 344.459 0.718 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911256806 609837152 /nfs/dbraw/zinc/83/71/52/609837152.db2.gz BNTIQNWMTRNSJA-DEYYWGMASA-N 1 3 336.480 0.563 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@H]1CCCN3CCCC[C@H]13)C2 ZINC000911325400 609848456 /nfs/dbraw/zinc/84/84/56/609848456.db2.gz SXNCATRKJDMLAU-XFIYOXNOSA-N 1 3 334.464 0.458 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000911325144 609848469 /nfs/dbraw/zinc/84/84/69/609848469.db2.gz PGACYGCYXSZKHT-HRCADAONSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)N[C@H]1CCCN(C)C1)C2 ZINC000914314575 609876333 /nfs/dbraw/zinc/87/63/33/609876333.db2.gz YLPONYCQZBMKQE-VNIVASGNSA-N 1 3 338.496 0.860 20 0 ECADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)N[C@H]1CCCN(C)C1)C2 ZINC000914314575 609876334 /nfs/dbraw/zinc/87/63/34/609876334.db2.gz YLPONYCQZBMKQE-VNIVASGNSA-N 1 3 338.496 0.860 20 0 ECADHO CN1CCNC[C@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000911750563 609909386 /nfs/dbraw/zinc/90/93/86/609909386.db2.gz DQDFLNKUWWQZQK-BBRMVZONSA-N 1 3 346.431 0.438 20 0 ECADHO C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1NCC(N)=O ZINC000939148984 610097187 /nfs/dbraw/zinc/09/71/87/610097187.db2.gz YGYBGIONMZNRAR-CZUORRHYSA-N 1 3 332.448 0.326 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000941490563 610340058 /nfs/dbraw/zinc/34/00/58/610340058.db2.gz YGUTUQMQFRNJED-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000941490563 610340059 /nfs/dbraw/zinc/34/00/59/610340059.db2.gz YGUTUQMQFRNJED-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000941644863 610437884 /nfs/dbraw/zinc/43/78/84/610437884.db2.gz BEZJSZSYWSDJMT-HZPDHXFCSA-N 1 3 348.491 0.816 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000941672673 610445916 /nfs/dbraw/zinc/44/59/16/610445916.db2.gz NTACIXAMWOFYRQ-CQSZACIVSA-N 1 3 333.436 0.355 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000941672673 610445917 /nfs/dbraw/zinc/44/59/17/610445917.db2.gz NTACIXAMWOFYRQ-CQSZACIVSA-N 1 3 333.436 0.355 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1)N(C)C ZINC000941683495 610462073 /nfs/dbraw/zinc/46/20/73/610462073.db2.gz JZDUOBZAOHNLMP-JKSUJKDBSA-N 1 3 340.512 0.974 20 0 ECADHO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H]1C ZINC000923200711 611213684 /nfs/dbraw/zinc/21/36/84/611213684.db2.gz BUEQUQONBWEBAG-SOUVJXGZSA-N 1 3 342.484 0.709 20 0 ECADHO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H]1C ZINC000923200711 611213686 /nfs/dbraw/zinc/21/36/86/611213686.db2.gz BUEQUQONBWEBAG-SOUVJXGZSA-N 1 3 342.484 0.709 20 0 ECADHO CCOC[C@@H](O)CN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923320970 611229515 /nfs/dbraw/zinc/22/95/15/611229515.db2.gz AOIWRBZUULLGBW-FBVQUNGASA-N 1 3 325.497 0.922 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000923347075 611232599 /nfs/dbraw/zinc/23/25/99/611232599.db2.gz UVICBOSKBSYXHL-ZWKOTPCHSA-N 1 3 345.491 0.806 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000923347075 611232601 /nfs/dbraw/zinc/23/26/01/611232601.db2.gz UVICBOSKBSYXHL-ZWKOTPCHSA-N 1 3 345.491 0.806 20 0 ECADHO CCOCCCNC(=O)[C@@H](C)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452872 611245764 /nfs/dbraw/zinc/24/57/64/611245764.db2.gz IWXQMKSQVZOAIA-HUUCEWRRSA-N 1 3 327.469 0.748 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@]([NH3+])(CO)C1)c1ccccc1 ZINC000923472780 611249164 /nfs/dbraw/zinc/24/91/64/611249164.db2.gz NANMKYPZFFVAJC-AEFFLSMTSA-N 1 3 334.464 0.191 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518434 611297730 /nfs/dbraw/zinc/29/77/30/611297730.db2.gz UKWQKHDHKAUIFT-FZKCQIBNSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518434 611297732 /nfs/dbraw/zinc/29/77/32/611297732.db2.gz UKWQKHDHKAUIFT-FZKCQIBNSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCN1CCCC1=O ZINC000947934284 611746444 /nfs/dbraw/zinc/74/64/44/611746444.db2.gz KFYAUBMRSNNUMF-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000949943552 611822620 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333.480 0.980 20 0 ECADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1)C1CCC1 ZINC000971686643 734951768 /nfs/dbraw/zinc/95/17/68/734951768.db2.gz CZEXBKRSBRTGEQ-KRWDZBQOSA-N 1 3 333.480 0.980 20 0 ECADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccnn2C)C1)C1CCC1 ZINC000971686643 734951771 /nfs/dbraw/zinc/95/17/71/734951771.db2.gz CZEXBKRSBRTGEQ-KRWDZBQOSA-N 1 3 333.480 0.980 20 0 ECADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861192 735264864 /nfs/dbraw/zinc/26/48/64/735264864.db2.gz IYEQRUFDMFFFJZ-HNNXBMFYSA-N 1 3 349.479 0.173 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)CCN2CCCC2=O)C1 ZINC000972330101 735953120 /nfs/dbraw/zinc/95/31/20/735953120.db2.gz DNPFBBCIPUHXAU-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)CCN2CCCC2=O)C1 ZINC000972330101 735953122 /nfs/dbraw/zinc/95/31/22/735953122.db2.gz DNPFBBCIPUHXAU-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC000972331424 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ZINC000972741821 737583945 /nfs/dbraw/zinc/58/39/45/737583945.db2.gz FGWQBTWIWPOSPX-XJKSGUPXSA-N 1 3 345.447 0.525 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC000972741821 737583946 /nfs/dbraw/zinc/58/39/46/737583946.db2.gz FGWQBTWIWPOSPX-XJKSGUPXSA-N 1 3 345.447 0.525 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H](CNCc2nncn2C)C1)[NH+](C)C ZINC001024026910 737640808 /nfs/dbraw/zinc/64/08/08/737640808.db2.gz KRBNKUALXXPUNL-ZBFHGGJFSA-N 1 3 336.484 0.730 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001024155934 737782696 /nfs/dbraw/zinc/78/26/96/737782696.db2.gz DXJFYOSYSXBICT-LSDHHAIUSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC001024156963 737784879 /nfs/dbraw/zinc/78/48/79/737784879.db2.gz VVUBGOCBDIQTNL-GJZGRUSLSA-N 1 3 334.468 0.485 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001024187747 737805851 /nfs/dbraw/zinc/80/58/51/737805851.db2.gz AUPZPPJWZJZEKI-MRXNPFEDSA-N 1 3 348.495 0.875 20 0 ECADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001024236345 737843661 /nfs/dbraw/zinc/84/36/61/737843661.db2.gz JWVQNPGJDQSWCO-HUUCEWRRSA-N 1 3 334.468 0.783 20 0 ECADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001024236345 737843665 /nfs/dbraw/zinc/84/36/65/737843665.db2.gz JWVQNPGJDQSWCO-HUUCEWRRSA-N 1 3 334.468 0.783 20 0 ECADHO Cn1ccnc1CNC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001024238757 737845527 /nfs/dbraw/zinc/84/55/27/737845527.db2.gz PHGBBKBDRLCIHT-HNNXBMFYSA-N 1 3 331.464 0.844 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000973312756 739090080 /nfs/dbraw/zinc/09/00/80/739090080.db2.gz YJFNHGCNZMOKGA-DZUCGIPZSA-N 1 3 348.491 0.433 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000973488663 739387036 /nfs/dbraw/zinc/38/70/36/739387036.db2.gz XQDCAYQBSGFIGM-FMKGYKFTSA-N 1 3 333.436 0.222 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000973488663 739387040 /nfs/dbraw/zinc/38/70/40/739387040.db2.gz XQDCAYQBSGFIGM-FMKGYKFTSA-N 1 3 333.436 0.222 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@H](O)CC(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000307945146 739410626 /nfs/dbraw/zinc/41/06/26/739410626.db2.gz XYZBLVLQKLYFRC-XQQFMLRXSA-N 1 3 337.386 0.880 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3cncc3c2)C1 ZINC001025472438 739629619 /nfs/dbraw/zinc/62/96/19/739629619.db2.gz QGIFQWUUMFENQG-DZGCQCFKSA-N 1 3 343.431 0.911 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3cncc3c2)C1 ZINC001025472438 739629625 /nfs/dbraw/zinc/62/96/25/739629625.db2.gz QGIFQWUUMFENQG-DZGCQCFKSA-N 1 3 343.431 0.911 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025809074 739977108 /nfs/dbraw/zinc/97/71/08/739977108.db2.gz YVOXHPYITHRSRN-JJTUDDRGSA-N 1 3 348.491 0.528 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025809074 739977113 /nfs/dbraw/zinc/97/71/13/739977113.db2.gz YVOXHPYITHRSRN-JJTUDDRGSA-N 1 3 348.491 0.528 20 0 ECADHO CCn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC001026043975 740327497 /nfs/dbraw/zinc/32/74/97/740327497.db2.gz IOGHSERKLGCAOO-OGCZYDBJSA-N 1 3 345.491 0.690 20 0 ECADHO CCn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC001026043975 740327500 /nfs/dbraw/zinc/32/75/00/740327500.db2.gz IOGHSERKLGCAOO-OGCZYDBJSA-N 1 3 345.491 0.690 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC001026044195 740328528 /nfs/dbraw/zinc/32/85/28/740328528.db2.gz LNOHRBRWULYVTR-MNLARUNXSA-N 1 3 331.464 0.207 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC001026044195 740328529 /nfs/dbraw/zinc/32/85/29/740328529.db2.gz LNOHRBRWULYVTR-MNLARUNXSA-N 1 3 331.464 0.207 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001026043296 740335307 /nfs/dbraw/zinc/33/53/07/740335307.db2.gz JPLIPDQHVUWPAO-JSEZXORMSA-N 1 3 344.463 0.296 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001026043296 740335308 /nfs/dbraw/zinc/33/53/08/740335308.db2.gz JPLIPDQHVUWPAO-JSEZXORMSA-N 1 3 344.463 0.296 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1=O ZINC001026043391 740336051 /nfs/dbraw/zinc/33/60/51/740336051.db2.gz OWMJRSGJLJIUSP-KDEOKCCVSA-N 1 3 334.464 0.138 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1=O ZINC001026043391 740336053 /nfs/dbraw/zinc/33/60/53/740336053.db2.gz OWMJRSGJLJIUSP-KDEOKCCVSA-N 1 3 334.464 0.138 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026043490 740336744 /nfs/dbraw/zinc/33/67/44/740336744.db2.gz CANOZYQOKXDUOM-LCEIHVTHSA-N 1 3 348.491 0.291 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026043490 740336746 /nfs/dbraw/zinc/33/67/46/740336746.db2.gz CANOZYQOKXDUOM-LCEIHVTHSA-N 1 3 348.491 0.291 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026088642 740363135 /nfs/dbraw/zinc/36/31/35/740363135.db2.gz FLPGRKMBHZMQNN-ZVDSWSACSA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026088642 740363140 /nfs/dbraw/zinc/36/31/40/740363140.db2.gz FLPGRKMBHZMQNN-ZVDSWSACSA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001026148887 740424133 /nfs/dbraw/zinc/42/41/33/740424133.db2.gz BNIGTOTXEKYYPZ-FYVBOJDISA-N 1 3 348.491 0.528 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001026148887 740424134 /nfs/dbraw/zinc/42/41/34/740424134.db2.gz BNIGTOTXEKYYPZ-FYVBOJDISA-N 1 3 348.491 0.528 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](CC)C(N)=O)C1 ZINC001104937552 740971989 /nfs/dbraw/zinc/97/19/89/740971989.db2.gz DZLVHXIMRRKYMC-KFWWJZLASA-N 1 3 326.485 0.666 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312224 741721423 /nfs/dbraw/zinc/72/14/23/741721423.db2.gz GHHCDZYYGWWYCD-KBPBESRZSA-N 1 3 334.468 0.891 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312224 741721427 /nfs/dbraw/zinc/72/14/27/741721427.db2.gz GHHCDZYYGWWYCD-KBPBESRZSA-N 1 3 334.468 0.891 20 0 ECADHO CC(C)CCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326676 741809100 /nfs/dbraw/zinc/80/91/00/741809100.db2.gz BGHWNGVYJMZCLI-YOEHRIQHSA-N 1 3 348.495 0.995 20 0 ECADHO CC(C)CCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326676 741809103 /nfs/dbraw/zinc/80/91/03/741809103.db2.gz BGHWNGVYJMZCLI-YOEHRIQHSA-N 1 3 348.495 0.995 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001026874865 742006886 /nfs/dbraw/zinc/00/68/86/742006886.db2.gz BNMFJGQIMZSVLP-GOEBONIOSA-N 1 3 334.468 0.628 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001026874865 742006891 /nfs/dbraw/zinc/00/68/91/742006891.db2.gz BNMFJGQIMZSVLP-GOEBONIOSA-N 1 3 334.468 0.628 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)nn1 ZINC001026890320 742031418 /nfs/dbraw/zinc/03/14/18/742031418.db2.gz IQCNBWRYBJQNNC-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO C[C@H](NC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1nncn1C ZINC001027037659 742364998 /nfs/dbraw/zinc/36/49/98/742364998.db2.gz XLZBQEGEKOGWDS-KBPBESRZSA-N 1 3 334.468 0.656 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001027063422 742431504 /nfs/dbraw/zinc/43/15/04/742431504.db2.gz LAORZAXTSJEXBB-LSDHHAIUSA-N 1 3 334.468 0.720 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001027063422 742431507 /nfs/dbraw/zinc/43/15/07/742431507.db2.gz LAORZAXTSJEXBB-LSDHHAIUSA-N 1 3 334.468 0.720 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027064921 742434623 /nfs/dbraw/zinc/43/46/23/742434623.db2.gz MWXFWJKUJMCWGA-HUUCEWRRSA-N 1 3 334.468 0.578 20 0 ECADHO NC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001027091014 742523368 /nfs/dbraw/zinc/52/33/68/742523368.db2.gz BXZMUYWBWINMKN-AWEZNQCLSA-N 1 3 341.415 0.689 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170082 742960340 /nfs/dbraw/zinc/96/03/40/742960340.db2.gz BTWISTMREKCIFC-GJZGRUSLSA-N 1 3 347.463 0.765 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170082 742960347 /nfs/dbraw/zinc/96/03/47/742960347.db2.gz BTWISTMREKCIFC-GJZGRUSLSA-N 1 3 347.463 0.765 20 0 ECADHO COc1cc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)on1 ZINC000997007145 743120690 /nfs/dbraw/zinc/12/06/90/743120690.db2.gz ITJWGVJCRQAVCB-IUODEOHRSA-N 1 3 336.436 0.962 20 0 ECADHO COc1cc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)on1 ZINC000997007145 743120691 /nfs/dbraw/zinc/12/06/91/743120691.db2.gz ITJWGVJCRQAVCB-IUODEOHRSA-N 1 3 336.436 0.962 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nn1 ZINC000997008945 743124624 /nfs/dbraw/zinc/12/46/24/743124624.db2.gz NJAWSUSKDPKINV-CJNGLKHVSA-N 1 3 347.463 0.764 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1 ZINC000997008945 743124631 /nfs/dbraw/zinc/12/46/31/743124631.db2.gz NJAWSUSKDPKINV-CJNGLKHVSA-N 1 3 347.463 0.764 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCNC(=O)CC2)CC1)N(C)C ZINC000997016029 743135227 /nfs/dbraw/zinc/13/52/27/743135227.db2.gz SPTFSRYULXNCLJ-HOCLYGCPSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@H+](C)CCC(=O)NCCC1=CCN(CCOCCO)CC1 ZINC001161645442 743226169 /nfs/dbraw/zinc/22/61/69/743226169.db2.gz GLDWNFBABFMBHL-UHFFFAOYSA-N 1 3 327.469 0.476 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCCC1=CCN(CCOCCO)CC1 ZINC001161645442 743226177 /nfs/dbraw/zinc/22/61/77/743226177.db2.gz GLDWNFBABFMBHL-UHFFFAOYSA-N 1 3 327.469 0.476 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000997243581 743400465 /nfs/dbraw/zinc/40/04/65/743400465.db2.gz XWCKWKVCSPDRTH-GDBMZVCRSA-N 1 3 345.447 0.605 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000997243581 743400467 /nfs/dbraw/zinc/40/04/67/743400467.db2.gz XWCKWKVCSPDRTH-GDBMZVCRSA-N 1 3 345.447 0.605 20 0 ECADHO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1)C(N)=O ZINC000997357717 743530070 /nfs/dbraw/zinc/53/00/70/743530070.db2.gz XLDJSSSRAMDFAF-ZDUSSCGKSA-N 1 3 332.448 0.816 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000997366925 743538931 /nfs/dbraw/zinc/53/89/31/743538931.db2.gz QRYLSWXSLGAKTJ-CVEARBPZSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000997366932 743539011 /nfs/dbraw/zinc/53/90/11/743539011.db2.gz QRYLSWXSLGAKTJ-HZPDHXFCSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001020586210 751845295 /nfs/dbraw/zinc/84/52/95/751845295.db2.gz IDVQKKPSJHAHOM-QKPAOTATSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC001020587797 751848899 /nfs/dbraw/zinc/84/88/99/751848899.db2.gz VCNGFFWSNQPNQH-VGWMRTNUSA-N 1 3 336.480 0.717 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)c(=O)c2)CC1 ZINC000997605999 743705789 /nfs/dbraw/zinc/70/57/89/743705789.db2.gz IXASCPYOAMMUDL-QGZVFWFLSA-N 1 3 346.475 0.808 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000997611743 743708987 /nfs/dbraw/zinc/70/89/87/743708987.db2.gz GOPNGIVCXVVCFP-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001020589064 751852559 /nfs/dbraw/zinc/85/25/59/751852559.db2.gz VUZZOSANRPFYAY-JQFCIGGWSA-N 1 3 344.459 0.864 20 0 ECADHO COc1coc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1=O ZINC001020590160 751855242 /nfs/dbraw/zinc/85/52/42/751855242.db2.gz NWFAUZJOLDLLGE-IHRRRGAJSA-N 1 3 349.431 0.727 20 0 ECADHO CN(CC(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1)C1CCC1 ZINC000997832024 743843080 /nfs/dbraw/zinc/84/30/80/743843080.db2.gz XPQSQDGQDSONQG-UHFFFAOYSA-N 1 3 334.468 0.628 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC000998121009 743988951 /nfs/dbraw/zinc/98/89/51/743988951.db2.gz UPWLIMIISULDGP-HNNXBMFYSA-N 1 3 343.435 0.559 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998797442 744346854 /nfs/dbraw/zinc/34/68/54/744346854.db2.gz VFAOBSYOPJFEKK-UWLZSVRSSA-N 1 3 334.468 0.717 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998797442 744346859 /nfs/dbraw/zinc/34/68/59/744346859.db2.gz VFAOBSYOPJFEKK-UWLZSVRSSA-N 1 3 334.468 0.717 20 0 ECADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+]([C@H]3CCNC3=O)C[C@]2(C)C1)N(C)C ZINC000982306620 751927519 /nfs/dbraw/zinc/92/75/19/751927519.db2.gz VOXOIEINRXXSQX-NONVJHHQSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCNC3=O)C[C@]2(C)C1)N(C)C ZINC000982306620 751927524 /nfs/dbraw/zinc/92/75/24/751927524.db2.gz VOXOIEINRXXSQX-NONVJHHQSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)CCC1 ZINC000999346843 744641655 /nfs/dbraw/zinc/64/16/55/744641655.db2.gz GQFDXHBSVYUTNK-INIZCTEOSA-N 1 3 346.475 0.950 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCN3CCCC3=O)C2)CCC1 ZINC000999352135 744645656 /nfs/dbraw/zinc/64/56/56/744645656.db2.gz IPPWHRBCPKOZJU-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC000999381278 744667989 /nfs/dbraw/zinc/66/79/89/744667989.db2.gz YUWFCDMMJDSKLL-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999836352 744931733 /nfs/dbraw/zinc/93/17/33/744931733.db2.gz KEKVVTJWBQKKOW-NFOMZHRRSA-N 1 3 334.468 0.637 20 0 ECADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999836352 744931735 /nfs/dbraw/zinc/93/17/35/744931735.db2.gz KEKVVTJWBQKKOW-NFOMZHRRSA-N 1 3 334.468 0.637 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999850144 744943361 /nfs/dbraw/zinc/94/33/61/744943361.db2.gz WICYAZOMNVCNDT-KSSFIOAISA-N 1 3 348.491 0.672 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001020678958 751960894 /nfs/dbraw/zinc/96/08/94/751960894.db2.gz CIAUPRQIFJQETK-SHTZXODSSA-N 1 3 334.468 0.767 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000999877184 744985803 /nfs/dbraw/zinc/98/58/03/744985803.db2.gz MHUGPRHCUPPELZ-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000983693202 745068592 /nfs/dbraw/zinc/06/85/92/745068592.db2.gz SAFCGZDNMXDXIB-KBRIMQKVSA-N 1 3 331.464 0.746 20 0 ECADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000983715280 745091348 /nfs/dbraw/zinc/09/13/48/745091348.db2.gz HMFBGBHJIOTBOX-KLHDSHLOSA-N 1 3 347.463 0.268 20 0 ECADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000983715280 745091355 /nfs/dbraw/zinc/09/13/55/745091355.db2.gz HMFBGBHJIOTBOX-KLHDSHLOSA-N 1 3 347.463 0.268 20 0 ECADHO C[C@H](NCc1nncn1C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001029108185 745101571 /nfs/dbraw/zinc/10/15/71/745101571.db2.gz XVFHZTVQRNRSKE-SUMWQHHRSA-N 1 3 348.495 0.872 20 0 ECADHO Cn1cc(CCN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000977605126 745257049 /nfs/dbraw/zinc/25/70/49/745257049.db2.gz XFTWVFGJOLQYPP-JKSUJKDBSA-N 1 3 333.480 0.741 20 0 ECADHO Cn1cc(CCN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000977605126 745257056 /nfs/dbraw/zinc/25/70/56/745257056.db2.gz XFTWVFGJOLQYPP-JKSUJKDBSA-N 1 3 333.480 0.741 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001000194120 745330875 /nfs/dbraw/zinc/33/08/75/745330875.db2.gz TVRGGWBXBMTHJL-JKSUJKDBSA-N 1 3 333.480 0.885 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001000199097 745336684 /nfs/dbraw/zinc/33/66/84/745336684.db2.gz NRSPQFGUZRKDOA-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCn3cncn3)C2)C1 ZINC001027576083 745718498 /nfs/dbraw/zinc/71/84/98/745718498.db2.gz JXMDYCMEUWZXSN-HZPDHXFCSA-N 1 3 334.468 0.543 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCn3cncn3)C2)C1 ZINC001027576083 745718501 /nfs/dbraw/zinc/71/85/01/745718501.db2.gz JXMDYCMEUWZXSN-HZPDHXFCSA-N 1 3 334.468 0.543 20 0 ECADHO COc1ncc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001000917144 745896205 /nfs/dbraw/zinc/89/62/05/745896205.db2.gz KEARBZTVUJCLFY-GDBMZVCRSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001000917144 745896208 /nfs/dbraw/zinc/89/62/08/745896208.db2.gz KEARBZTVUJCLFY-GDBMZVCRSA-N 1 3 347.463 0.826 20 0 ECADHO COCC[N@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000971429 745941302 /nfs/dbraw/zinc/94/13/02/745941302.db2.gz CPZMRBFTBPJWIS-PQUAAJSLSA-N 1 3 335.448 0.244 20 0 ECADHO COCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000971429 745941303 /nfs/dbraw/zinc/94/13/03/745941303.db2.gz CPZMRBFTBPJWIS-PQUAAJSLSA-N 1 3 335.448 0.244 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC000978147274 745979931 /nfs/dbraw/zinc/97/99/31/745979931.db2.gz FIBWWXSEFMTHCJ-BZUAXINKSA-N 1 3 338.496 0.726 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)c2cnccc2N(C)C)CC1 ZINC001001377924 746324152 /nfs/dbraw/zinc/32/41/52/746324152.db2.gz YJLPUQZDIJRXOA-HNNXBMFYSA-N 1 3 345.447 0.773 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)c2cnccc2N(C)C)CC1 ZINC001001377924 746324156 /nfs/dbraw/zinc/32/41/56/746324156.db2.gz YJLPUQZDIJRXOA-HNNXBMFYSA-N 1 3 345.447 0.773 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CCN(CCn3cncn3)CC2)CC[N@@H+]1C ZINC001001417925 746357508 /nfs/dbraw/zinc/35/75/08/746357508.db2.gz IRUBWYXICKEFGA-GDBMZVCRSA-N 1 3 334.468 0.447 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CCN(CCn3cncn3)CC2)CC[N@H+]1C ZINC001001417925 746357514 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SQUYKQWWIHUZSB-UONOGXRCSA-N 1 3 349.435 0.726 20 0 ECADHO O=C(CNCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)Nc1ccon1 ZINC001168030872 746525320 /nfs/dbraw/zinc/52/53/20/746525320.db2.gz SQUYKQWWIHUZSB-UONOGXRCSA-N 1 3 349.435 0.726 20 0 ECADHO C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC001027651926 746544691 /nfs/dbraw/zinc/54/46/91/746544691.db2.gz OIVVOCNUIOTIIG-STQMWFEESA-N 1 3 333.436 0.558 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC001027651926 746544696 /nfs/dbraw/zinc/54/46/96/746544696.db2.gz OIVVOCNUIOTIIG-STQMWFEESA-N 1 3 333.436 0.558 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ncccn3)C2)C1 ZINC000984670587 746821322 /nfs/dbraw/zinc/82/13/22/746821322.db2.gz OWGXOPAKMOZRSL-BZUAXINKSA-N 1 3 347.463 0.570 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)ncn1 ZINC000984806887 746963397 /nfs/dbraw/zinc/96/33/97/746963397.db2.gz BSWWQLXZEZMVJT-NZUILWFCSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)ncn1 ZINC000984806887 746963399 /nfs/dbraw/zinc/96/33/99/746963399.db2.gz BSWWQLXZEZMVJT-NZUILWFCSA-N 1 3 331.464 0.967 20 0 ECADHO CN1CCC[C@@H](N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002120591 747000566 /nfs/dbraw/zinc/00/05/66/747000566.db2.gz IXKDFVBAUGHCNW-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@@H](N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002120591 747000576 /nfs/dbraw/zinc/00/05/76/747000576.db2.gz IXKDFVBAUGHCNW-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC000979405734 747752655 /nfs/dbraw/zinc/75/26/55/747752655.db2.gz NZABMDYSWLDTPP-BBRMVZONSA-N 1 3 336.436 0.584 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001002869976 747900896 /nfs/dbraw/zinc/90/08/96/747900896.db2.gz MUUINCXKGVGTIS-UHFFFAOYSA-N 1 3 345.447 0.403 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001002889849 747925478 /nfs/dbraw/zinc/92/54/78/747925478.db2.gz WDDXDEGTGNQSBV-HZPDHXFCSA-N 1 3 345.447 0.544 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001002889849 747925485 /nfs/dbraw/zinc/92/54/85/747925485.db2.gz WDDXDEGTGNQSBV-HZPDHXFCSA-N 1 3 345.447 0.544 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC000985439545 748034206 /nfs/dbraw/zinc/03/42/06/748034206.db2.gz BFGZYVNNAXQMAD-XHSDSOJGSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC000985439545 748034212 /nfs/dbraw/zinc/03/42/12/748034212.db2.gz BFGZYVNNAXQMAD-XHSDSOJGSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)C(=O)C12CC[NH+](CC1)C2 ZINC001003060569 748128247 /nfs/dbraw/zinc/12/82/47/748128247.db2.gz DNQXEZNJVNCEHR-HNNXBMFYSA-N 1 3 345.447 0.497 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003251258 748345324 /nfs/dbraw/zinc/34/53/24/748345324.db2.gz VFYRNWFIZSGDKZ-HNNXBMFYSA-N 1 3 329.404 0.792 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCn3cncn3)CC2)CC[N@@H+]1C ZINC001003507773 748624218 /nfs/dbraw/zinc/62/42/18/748624218.db2.gz MLLGMSKRQUCLRB-GJZGRUSLSA-N 1 3 334.468 0.589 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCn3cncn3)CC2)CC[N@H+]1C ZINC001003507773 748624222 /nfs/dbraw/zinc/62/42/22/748624222.db2.gz MLLGMSKRQUCLRB-GJZGRUSLSA-N 1 3 334.468 0.589 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1 ZINC000985652718 748808532 /nfs/dbraw/zinc/80/85/32/748808532.db2.gz HKVJPQXJQFAONL-GOEBONIOSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1 ZINC000985652718 748808539 /nfs/dbraw/zinc/80/85/39/748808539.db2.gz HKVJPQXJQFAONL-GOEBONIOSA-N 1 3 336.480 0.339 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001088390172 749010018 /nfs/dbraw/zinc/01/00/18/749010018.db2.gz HLNODQVKLQJLER-OAHLLOKOSA-N 1 3 347.463 0.935 20 0 ECADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@@H]2C1)[NH+]1CCCC1 ZINC000980166105 749099746 /nfs/dbraw/zinc/09/97/46/749099746.db2.gz DXASJDRDQUFOMK-SOUVJXGZSA-N 1 3 336.480 0.563 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001051342199 761920272 /nfs/dbraw/zinc/92/02/72/761920272.db2.gz ZRSHSYZKHXSSFR-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC001004140942 749250542 /nfs/dbraw/zinc/25/05/42/749250542.db2.gz ARRBVARRJCPWEC-INIZCTEOSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC001004140942 749250546 /nfs/dbraw/zinc/25/05/46/749250546.db2.gz ARRBVARRJCPWEC-INIZCTEOSA-N 1 3 344.459 0.818 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001029876060 749285965 /nfs/dbraw/zinc/28/59/65/749285965.db2.gz RPIHQGBJGMEIOF-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001029876060 749285971 /nfs/dbraw/zinc/28/59/71/749285971.db2.gz RPIHQGBJGMEIOF-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1)C1CCC1 ZINC001004460068 749527343 /nfs/dbraw/zinc/52/73/43/749527343.db2.gz UVUKPULBYKQQNO-INIZCTEOSA-N 1 3 336.480 0.659 20 0 ECADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1)C1CCC1 ZINC001004460068 749527345 /nfs/dbraw/zinc/52/73/45/749527345.db2.gz UVUKPULBYKQQNO-INIZCTEOSA-N 1 3 336.480 0.659 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@](CNCC(N)=O)(c3ccccc3)C2)C1 ZINC001105446589 750455368 /nfs/dbraw/zinc/45/53/68/750455368.db2.gz PAKTZMHXEPEVCD-OGWOLHLISA-N 1 3 344.459 0.230 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@](CNCC(N)=O)(c3ccccc3)C2)C1 ZINC001105446589 750455370 /nfs/dbraw/zinc/45/53/70/750455370.db2.gz PAKTZMHXEPEVCD-OGWOLHLISA-N 1 3 344.459 0.230 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987359439 750753785 /nfs/dbraw/zinc/75/37/85/750753785.db2.gz OMHXSKKUPQUUKA-CABCVRRESA-N 1 3 346.479 0.781 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(N)=O)C2)c1 ZINC000981537621 750786764 /nfs/dbraw/zinc/78/67/64/750786764.db2.gz HYYDCARRYZRPGZ-JKSUJKDBSA-N 1 3 332.448 0.864 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000981646627 750929863 /nfs/dbraw/zinc/92/98/63/750929863.db2.gz PHQKHMMHNUSTQW-SDDULXJBSA-N 1 3 349.475 0.420 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000981646627 750929865 /nfs/dbraw/zinc/92/98/65/750929865.db2.gz PHQKHMMHNUSTQW-SDDULXJBSA-N 1 3 349.475 0.420 20 0 ECADHO Cn1ccc(CN2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)cc1=O ZINC001028117014 750985306 /nfs/dbraw/zinc/98/53/06/750985306.db2.gz MMHUXPRUAICDJW-KRWDZBQOSA-N 1 3 346.475 0.808 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001051447858 762092711 /nfs/dbraw/zinc/09/27/11/762092711.db2.gz KCDWMZWFCBOOCC-HIFRSBDPSA-N 1 3 349.479 0.956 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C(N)=O)cc2)C1 ZINC001028316164 752364453 /nfs/dbraw/zinc/36/44/53/752364453.db2.gz KYCVIWBDAHVIAE-DLBZAZTESA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C(N)=O)cc2)C1 ZINC001028316164 752364462 /nfs/dbraw/zinc/36/44/62/752364462.db2.gz KYCVIWBDAHVIAE-DLBZAZTESA-N 1 3 344.459 0.818 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001021093982 752534783 /nfs/dbraw/zinc/53/47/83/752534783.db2.gz JGMSVPVNUBVZOD-ZOBUZTSGSA-N 1 3 344.459 0.829 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001021096465 752537122 /nfs/dbraw/zinc/53/71/22/752537122.db2.gz UKKUBPSMCZHWOP-KLHDSHLOSA-N 1 3 346.479 0.877 20 0 ECADHO O=C(NC1C[C@H]2CC[C@@H](C1)N2CCF)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001021328910 752779663 /nfs/dbraw/zinc/77/96/63/752779663.db2.gz MMHODGFJFHGLCL-ZCNPNEATSA-N 1 3 337.439 0.931 20 0 ECADHO O=C(NC1C[C@H]2CC[C@@H](C1)N2CCF)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001021328910 752779664 /nfs/dbraw/zinc/77/96/64/752779664.db2.gz MMHODGFJFHGLCL-ZCNPNEATSA-N 1 3 337.439 0.931 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CN1C(=O)CN(C)C1CCC1 ZINC000988964655 753086927 /nfs/dbraw/zinc/08/69/27/753086927.db2.gz DETGBBNKKFFVFZ-UONOGXRCSA-N 1 3 337.468 0.075 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)CN1CCCC1 ZINC000989027398 753153511 /nfs/dbraw/zinc/15/35/11/753153511.db2.gz LMYNRFDHPSLMTF-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989337094 753647884 /nfs/dbraw/zinc/64/78/84/753647884.db2.gz SXDBFQLIUSEIFY-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989337094 753647886 /nfs/dbraw/zinc/64/78/86/753647886.db2.gz SXDBFQLIUSEIFY-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCOC2(CCC([NH2+]CCCO)CC2)C1)N(C)C ZINC001105480512 753708571 /nfs/dbraw/zinc/70/85/71/753708571.db2.gz BUWWKQQRCPQNNU-PQUAAJSLSA-N 1 3 341.496 0.839 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCOC2(CCC([NH2+]CCCO)CC2)C1 ZINC001105481789 753712114 /nfs/dbraw/zinc/71/21/14/753712114.db2.gz FSYORXKRNXRGQU-UHFFFAOYSA-N 1 3 336.436 0.464 20 0 ECADHO O=C(NC[C@H]1CCN([C@H]2CCCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001028624559 753965452 /nfs/dbraw/zinc/96/54/52/753965452.db2.gz BRLXJXXFWJDUQI-CVEARBPZSA-N 1 3 348.491 0.579 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051517248 762263433 /nfs/dbraw/zinc/26/34/33/762263433.db2.gz ZNSGQAGKNBEFLF-HUUCEWRRSA-N 1 3 326.485 0.632 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCN(CCCF)C2)cn1 ZINC001008829909 754169577 /nfs/dbraw/zinc/16/95/77/754169577.db2.gz VBQJHDROHRAZHM-OAHLLOKOSA-N 1 3 325.432 0.999 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989682717 754301974 /nfs/dbraw/zinc/30/19/74/754301974.db2.gz JOMDNKCEUJVVGY-UKRRQHHQSA-N 1 3 346.479 0.781 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656957 754327643 /nfs/dbraw/zinc/32/76/43/754327643.db2.gz SCSYETOVUIONAF-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656956 754328118 /nfs/dbraw/zinc/32/81/18/754328118.db2.gz SCSYETOVUIONAF-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cc(CN2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001028659143 754376227 /nfs/dbraw/zinc/37/62/27/754376227.db2.gz PGHUGAPWANCHGN-OAHLLOKOSA-N 1 3 331.464 0.987 20 0 ECADHO CN1CCC[C@H](N2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028659089 754379754 /nfs/dbraw/zinc/37/97/54/754379754.db2.gz OAYNYCXESZSUFH-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001168335397 754629168 /nfs/dbraw/zinc/62/91/68/754629168.db2.gz HOUKLUHWDSRQCJ-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1 ZINC000990275993 754930578 /nfs/dbraw/zinc/93/05/78/754930578.db2.gz GMLWMMREJISKSD-OAHLLOKOSA-N 1 3 333.436 0.660 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000990276432 754931593 /nfs/dbraw/zinc/93/15/93/754931593.db2.gz JDBKRLKBHSOKQL-IAGOWNOFSA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001030020916 755687549 /nfs/dbraw/zinc/68/75/49/755687549.db2.gz PTDSZOPOOMQLPB-HRCADAONSA-N 1 3 338.496 0.774 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001076070688 756056638 /nfs/dbraw/zinc/05/66/38/756056638.db2.gz WUHFDAJASBUTDI-HNCZQISISA-N 1 3 337.439 0.742 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001076070688 756056643 /nfs/dbraw/zinc/05/66/43/756056643.db2.gz WUHFDAJASBUTDI-HNCZQISISA-N 1 3 337.439 0.742 20 0 ECADHO CN1CC[C@H](N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076204075 756209431 /nfs/dbraw/zinc/20/94/31/756209431.db2.gz QGUBUBNPJFIJNR-HRCADAONSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001076241234 756251768 /nfs/dbraw/zinc/25/17/68/756251768.db2.gz HZHLXUQBQPRETR-YESZJQIVSA-N 1 3 331.464 0.900 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001076241234 756251771 /nfs/dbraw/zinc/25/17/71/756251771.db2.gz HZHLXUQBQPRETR-YESZJQIVSA-N 1 3 331.464 0.900 20 0 ECADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001076605457 756724993 /nfs/dbraw/zinc/72/49/93/756724993.db2.gz BGMHNRIGTIYFRP-DLBZAZTESA-N 1 3 346.479 0.687 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(Cc4cnn(C)c4)C[C@H]3C2)CC[N@@H+]1C ZINC001048829356 757129579 /nfs/dbraw/zinc/12/95/79/757129579.db2.gz NYKFWRQVWGNZEF-MXASKKJJSA-N 1 3 331.464 0.651 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(Cc4cnn(C)c4)C[C@H]3C2)CC[N@H+]1C ZINC001048829356 757129581 /nfs/dbraw/zinc/12/95/81/757129581.db2.gz NYKFWRQVWGNZEF-MXASKKJJSA-N 1 3 331.464 0.651 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)C1CC1 ZINC001011178275 757130976 /nfs/dbraw/zinc/13/09/76/757130976.db2.gz SNZZPPYRWWDXOI-DLBZAZTESA-N 1 3 348.491 0.339 20 0 ECADHO CN1CC[C@@H](N[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)C1=O ZINC000996222675 757138558 /nfs/dbraw/zinc/13/85/58/757138558.db2.gz ORECWCCYCTZJMK-CABCVRRESA-N 1 3 336.480 0.386 20 0 ECADHO C[NH+]1CCC(C(=O)N2C[C@@H](NCC(=O)N3CCC3)C(C)(C)C2)CC1 ZINC000996234011 757158521 /nfs/dbraw/zinc/15/85/21/757158521.db2.gz CIZCZKIXJWQVLP-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC[N@@H+]1C ZINC001011208503 757191006 /nfs/dbraw/zinc/19/10/06/757191006.db2.gz DUTNUFBABQOXMX-BMFZPTHFSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC[N@H+]1C ZINC001011208503 757191011 /nfs/dbraw/zinc/19/10/11/757191011.db2.gz DUTNUFBABQOXMX-BMFZPTHFSA-N 1 3 336.480 0.338 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2C1)C1CC1 ZINC001048863553 757219586 /nfs/dbraw/zinc/21/95/86/757219586.db2.gz GRMBKRBBQWPMME-KSZLIROESA-N 1 3 345.491 0.693 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2C1)C1CC1 ZINC001048863553 757219594 /nfs/dbraw/zinc/21/95/94/757219594.db2.gz GRMBKRBBQWPMME-KSZLIROESA-N 1 3 345.491 0.693 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CCn3cncn3)C(C)(C)C2)C1 ZINC000996300921 757310935 /nfs/dbraw/zinc/31/09/35/757310935.db2.gz PCIONHGPDPECNU-GJZGRUSLSA-N 1 3 334.468 0.447 20 0 ECADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000996356788 757459768 /nfs/dbraw/zinc/45/97/68/757459768.db2.gz SLUDKGYRJTVYDQ-UONOGXRCSA-N 1 3 343.435 0.558 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001011322293 757514435 /nfs/dbraw/zinc/51/44/35/757514435.db2.gz WVRIIOIXNRWTLS-UHFFFAOYSA-N 1 3 345.447 0.499 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001076924682 757613029 /nfs/dbraw/zinc/61/30/29/757613029.db2.gz ZIPSCJCLEMMTOZ-AWEZNQCLSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H](C1CC1)[NH+](C)C)N(C)C ZINC001076957844 757750118 /nfs/dbraw/zinc/75/01/18/757750118.db2.gz NPNTZAKVQVCWRH-NWANDNLSSA-N 1 3 326.485 0.678 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049056956 757801939 /nfs/dbraw/zinc/80/19/39/757801939.db2.gz FIVMGKACNJNCPS-HRCADAONSA-N 1 3 332.452 0.153 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049056956 757801947 /nfs/dbraw/zinc/80/19/47/757801947.db2.gz FIVMGKACNJNCPS-HRCADAONSA-N 1 3 332.452 0.153 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(Cc4cncn4C)C[C@H]3C2)C1 ZINC001049058890 757817752 /nfs/dbraw/zinc/81/77/52/757817752.db2.gz JYHNEGJMXURKIJ-OAGGEKHMSA-N 1 3 331.464 0.652 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(Cc4cncn4C)C[C@H]3C2)C1 ZINC001049058890 757817761 /nfs/dbraw/zinc/81/77/61/757817761.db2.gz JYHNEGJMXURKIJ-OAGGEKHMSA-N 1 3 331.464 0.652 20 0 ECADHO Cn1nccc1CC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049082993 757913818 /nfs/dbraw/zinc/91/38/18/757913818.db2.gz PZGIADWQCQQSQR-OKILXGFUSA-N 1 3 328.420 0.319 20 0 ECADHO Cn1nccc1CC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049082993 757913821 /nfs/dbraw/zinc/91/38/21/757913821.db2.gz PZGIADWQCQQSQR-OKILXGFUSA-N 1 3 328.420 0.319 20 0 ECADHO CCN1CC[C@H](N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1=O ZINC000996517800 757924516 /nfs/dbraw/zinc/92/45/16/757924516.db2.gz ANESRZXSXINDQL-LSDHHAIUSA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CC[C@H](N[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1=O ZINC000996517796 757924902 /nfs/dbraw/zinc/92/49/02/757924902.db2.gz ANESRZXSXINDQL-GJZGRUSLSA-N 1 3 348.491 0.530 20 0 ECADHO Cc1nc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)n[nH]1 ZINC000996519771 757929022 /nfs/dbraw/zinc/92/90/22/757929022.db2.gz LCXXYMPEGHZLQQ-CYBMUJFWSA-N 1 3 332.452 0.536 20 0 ECADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)CC1 ZINC001049132653 758075528 /nfs/dbraw/zinc/07/55/28/758075528.db2.gz VTNAGLUMULBDKR-BBWFWOEESA-N 1 3 348.491 0.387 20 0 ECADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)CC1 ZINC001049132653 758075539 /nfs/dbraw/zinc/07/55/39/758075539.db2.gz VTNAGLUMULBDKR-BBWFWOEESA-N 1 3 348.491 0.387 20 0 ECADHO CN(CC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1)C1CCC1 ZINC001051655588 762606957 /nfs/dbraw/zinc/60/69/57/762606957.db2.gz MDLIVIYJJFTENL-GOEBONIOSA-N 1 3 325.453 0.324 20 0 ECADHO Cc1ncoc1CNC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996619644 758256553 /nfs/dbraw/zinc/25/65/53/758256553.db2.gz JEQSDHBYTFAVDT-RDJZCZTQSA-N 1 3 348.447 0.927 20 0 ECADHO Cc1ncoc1CNC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996619644 758256556 /nfs/dbraw/zinc/25/65/56/758256556.db2.gz JEQSDHBYTFAVDT-RDJZCZTQSA-N 1 3 348.447 0.927 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022088939 758259720 /nfs/dbraw/zinc/25/97/20/758259720.db2.gz AJYZUACJWRNDFE-XHSDSOJGSA-N 1 3 329.448 0.864 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049233382 758396964 /nfs/dbraw/zinc/39/69/64/758396964.db2.gz NKURWPUFYKKXIH-TWMKSMIVSA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049233382 758396972 /nfs/dbraw/zinc/39/69/72/758396972.db2.gz NKURWPUFYKKXIH-TWMKSMIVSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCN(C(C)C)C2=O)CC1)N(C)C ZINC000996710207 758536539 /nfs/dbraw/zinc/53/65/39/758536539.db2.gz AFSVTMTYBDJXIN-HZPDHXFCSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)COC)CC2)N(C)C ZINC001107450115 758591196 /nfs/dbraw/zinc/59/11/96/758591196.db2.gz CSWLYGQECULVQC-BVIKNXMNSA-N 1 3 341.496 0.695 20 0 ECADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](O)COC)CC2)N(C)C ZINC001107450115 758591203 /nfs/dbraw/zinc/59/12/03/758591203.db2.gz CSWLYGQECULVQC-BVIKNXMNSA-N 1 3 341.496 0.695 20 0 ECADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671165 762654383 /nfs/dbraw/zinc/65/43/83/762654383.db2.gz DYWRVTJTUVXWFD-KBPBESRZSA-N 1 3 335.452 0.647 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CCN2CCn1cncn1)[NH+](C)C ZINC001049533300 758878691 /nfs/dbraw/zinc/87/86/91/758878691.db2.gz NBWYEMFFAJFIGM-BBWFWOEESA-N 1 3 348.495 0.930 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)n1 ZINC001022712658 759025607 /nfs/dbraw/zinc/02/56/07/759025607.db2.gz WRIHCGQDTYQHNP-WQVCFCJDSA-N 1 3 334.468 0.616 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC001022717798 759036864 /nfs/dbraw/zinc/03/68/64/759036864.db2.gz LHVFSEMEGNAIEJ-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC001022717798 759036870 /nfs/dbraw/zinc/03/68/70/759036870.db2.gz LHVFSEMEGNAIEJ-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022806854 759128682 /nfs/dbraw/zinc/12/86/82/759128682.db2.gz BVBKGYLHPUWOHM-XHSDSOJGSA-N 1 3 334.468 0.778 20 0 ECADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039470 759511524 /nfs/dbraw/zinc/51/15/24/759511524.db2.gz SRXYKFCEMSLURR-HUUCEWRRSA-N 1 3 326.485 0.535 20 0 ECADHO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001083630572 759794635 /nfs/dbraw/zinc/79/46/35/759794635.db2.gz CXROMZZIRJHHIL-MAZHCROVSA-N 1 3 345.403 0.077 20 0 ECADHO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001083630572 759794643 /nfs/dbraw/zinc/79/46/43/759794643.db2.gz CXROMZZIRJHHIL-MAZHCROVSA-N 1 3 345.403 0.077 20 0 ECADHO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)c1ccn(-c2ccncc2)n1 ZINC001083630880 759811629 /nfs/dbraw/zinc/81/16/29/759811629.db2.gz RMIDICGZCDTPOO-CABCVRRESA-N 1 3 333.367 0.402 20 0 ECADHO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)c1ccn(-c2ccncc2)n1 ZINC001083630880 759811640 /nfs/dbraw/zinc/81/16/40/759811640.db2.gz RMIDICGZCDTPOO-CABCVRRESA-N 1 3 333.367 0.402 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001048279167 760208670 /nfs/dbraw/zinc/20/86/70/760208670.db2.gz GZPPSJYAGCLEFR-KBPBESRZSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1ccn(C)n1 ZINC001048365913 760381921 /nfs/dbraw/zinc/38/19/21/760381921.db2.gz ICLCTWCBPAAXQC-GDBMZVCRSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNCc1ccn(C)n1 ZINC001048365915 760381944 /nfs/dbraw/zinc/38/19/44/760381944.db2.gz ICLCTWCBPAAXQC-HOCLYGCPSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)CC[N@@H+]1C ZINC001050523401 760427148 /nfs/dbraw/zinc/42/71/48/760427148.db2.gz BVWBHTPWPDSBMX-BZUAXINKSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)CC[N@H+]1C ZINC001050523401 760427152 /nfs/dbraw/zinc/42/71/52/760427152.db2.gz BVWBHTPWPDSBMX-BZUAXINKSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001048392948 760430564 /nfs/dbraw/zinc/43/05/64/760430564.db2.gz NDPDQUWURVCWQX-ZFWWWQNUSA-N 1 3 343.431 0.535 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001050643606 760620240 /nfs/dbraw/zinc/62/02/40/760620240.db2.gz HIPSEQWZOOVHMP-AWEZNQCLSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+]([C@H]2CCCNC2=O)CC3)C1 ZINC001050662569 760638160 /nfs/dbraw/zinc/63/81/60/760638160.db2.gz KQLKMQDABSUVKI-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)C1 ZINC001050662569 760638165 /nfs/dbraw/zinc/63/81/65/760638165.db2.gz KQLKMQDABSUVKI-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)C1 ZINC001050662569 760638171 /nfs/dbraw/zinc/63/81/71/760638171.db2.gz KQLKMQDABSUVKI-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538409 760680380 /nfs/dbraw/zinc/68/03/80/760680380.db2.gz UAWAREQBWIFGAP-NQNKBUKLSA-N 1 3 348.491 0.848 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538409 760680382 /nfs/dbraw/zinc/68/03/82/760680382.db2.gz UAWAREQBWIFGAP-NQNKBUKLSA-N 1 3 348.491 0.848 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048563283 760724727 /nfs/dbraw/zinc/72/47/27/760724727.db2.gz WHFZLWIYYHDVHS-IBEHDNSVSA-N 1 3 336.480 0.289 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C2 ZINC001048563283 760724731 /nfs/dbraw/zinc/72/47/31/760724731.db2.gz WHFZLWIYYHDVHS-IBEHDNSVSA-N 1 3 336.480 0.289 20 0 ECADHO CN(CC(=O)N1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C(C)(C)C1)C1CCC1 ZINC000995921787 760780781 /nfs/dbraw/zinc/78/07/81/760780781.db2.gz YIYGOVBIPJOPFK-HUUCEWRRSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(CN1CCCC1)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001050755849 760785082 /nfs/dbraw/zinc/78/50/82/760785082.db2.gz NNARJNUAKDKMPG-HNNXBMFYSA-N 1 3 334.464 0.285 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1)C1CC1 ZINC000995907959 760798062 /nfs/dbraw/zinc/79/80/62/760798062.db2.gz XQIAAWPPDHNMPP-GJZGRUSLSA-N 1 3 334.468 0.445 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991423297 760864795 /nfs/dbraw/zinc/86/47/95/760864795.db2.gz WRQWTSFEDSBYOY-CVEARBPZSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1)N(C)C ZINC000991423297 760864803 /nfs/dbraw/zinc/86/48/03/760864803.db2.gz WRQWTSFEDSBYOY-CVEARBPZSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106244471 768008921 /nfs/dbraw/zinc/00/89/21/768008921.db2.gz LRSSAUOUVKTRHG-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249837 768017961 /nfs/dbraw/zinc/01/79/61/768017961.db2.gz SKHYJBDPPQCNCB-FRFSOERESA-N 1 3 338.496 0.489 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC2=CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001017465593 768041293 /nfs/dbraw/zinc/04/12/93/768041293.db2.gz ZGMDTGPJNHRSRB-INIZCTEOSA-N 1 3 334.464 0.309 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001017465593 768041298 /nfs/dbraw/zinc/04/12/98/768041298.db2.gz ZGMDTGPJNHRSRB-INIZCTEOSA-N 1 3 334.464 0.309 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CCO2)cn1 ZINC001051751746 762877471 /nfs/dbraw/zinc/87/74/71/762877471.db2.gz YERKLIAQSSRNRM-INIZCTEOSA-N 1 3 349.479 0.612 20 0 ECADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001051802599 763000873 /nfs/dbraw/zinc/00/08/73/763000873.db2.gz XUNSBOKNGHNUEP-KRWDZBQOSA-N 1 3 349.479 0.387 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CCCCC1 ZINC001127652833 763089992 /nfs/dbraw/zinc/08/99/92/763089992.db2.gz DWEXMSWNRRDVOJ-IIAWOOMASA-N 1 3 338.496 0.870 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CCCCC1 ZINC001127652833 763089999 /nfs/dbraw/zinc/08/99/99/763089999.db2.gz DWEXMSWNRRDVOJ-IIAWOOMASA-N 1 3 338.496 0.870 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001051859223 763131569 /nfs/dbraw/zinc/13/15/69/763131569.db2.gz WDXKTNAIBHSROO-KRWDZBQOSA-N 1 3 349.479 0.469 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNCc3cncs3)C2)C1 ZINC001051903073 763282832 /nfs/dbraw/zinc/28/28/32/763282832.db2.gz OSNSQOPTYMUDRG-KGLIPLIRSA-N 1 3 338.477 0.802 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNCc3cncs3)C2)C1 ZINC001051903073 763282838 /nfs/dbraw/zinc/28/28/38/763282838.db2.gz OSNSQOPTYMUDRG-KGLIPLIRSA-N 1 3 338.477 0.802 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@H](CNCc3cncs3)C2)C1 ZINC001051903075 763283211 /nfs/dbraw/zinc/28/32/11/763283211.db2.gz OSNSQOPTYMUDRG-UONOGXRCSA-N 1 3 338.477 0.802 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@H](CNCc3cncs3)C2)C1 ZINC001051903075 763283220 /nfs/dbraw/zinc/28/32/20/763283220.db2.gz OSNSQOPTYMUDRG-UONOGXRCSA-N 1 3 338.477 0.802 20 0 ECADHO Cc1cncc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)c1 ZINC001051904109 763287283 /nfs/dbraw/zinc/28/72/83/763287283.db2.gz AQPXKZFRDXQBTQ-QGZVFWFLSA-N 1 3 344.459 0.803 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001046891823 763316399 /nfs/dbraw/zinc/31/63/99/763316399.db2.gz KJBUZBZVXVBAEB-PBHICJAKSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1)N(C)C ZINC001106312336 768137776 /nfs/dbraw/zinc/13/77/76/768137776.db2.gz CMUXZFBMDDKNPI-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCC(C)CC2)CC[N@@H+]1C ZINC001127689976 763531392 /nfs/dbraw/zinc/53/13/92/763531392.db2.gz DNRSUPFKJMGUFU-JKSUJKDBSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCC(C)CC2)CC[N@H+]1C ZINC001127689976 763531398 /nfs/dbraw/zinc/53/13/98/763531398.db2.gz DNRSUPFKJMGUFU-JKSUJKDBSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(C)(C)CC)CC[N@@H+]1C ZINC001127695726 763564569 /nfs/dbraw/zinc/56/45/69/763564569.db2.gz VJJBDIZEXIYUGG-UONOGXRCSA-N 1 3 326.485 0.727 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(C)(C)CC)CC[N@H+]1C ZINC001127695726 763564573 /nfs/dbraw/zinc/56/45/73/763564573.db2.gz VJJBDIZEXIYUGG-UONOGXRCSA-N 1 3 326.485 0.727 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1C ZINC001127700710 763594189 /nfs/dbraw/zinc/59/41/89/763594189.db2.gz BGMDYMFFNAVVIN-SOUVJXGZSA-N 1 3 338.496 0.822 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)CC[N@H+]1C ZINC001127700710 763594195 /nfs/dbraw/zinc/59/41/95/763594195.db2.gz BGMDYMFFNAVVIN-SOUVJXGZSA-N 1 3 338.496 0.822 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NCCC(C)C)CC[N@@H+]1C ZINC001127705875 763665964 /nfs/dbraw/zinc/66/59/64/763665964.db2.gz HWWGJUKCWVDMHC-OWCLPIDISA-N 1 3 340.512 0.973 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NCCC(C)C)CC[N@H+]1C ZINC001127705875 763665969 /nfs/dbraw/zinc/66/59/69/763665969.db2.gz HWWGJUKCWVDMHC-OWCLPIDISA-N 1 3 340.512 0.973 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001047442205 764358662 /nfs/dbraw/zinc/35/86/62/764358662.db2.gz TXRVQEOXXHJPQI-PMPSAXMXSA-N 1 3 337.464 0.155 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001052662961 764958516 /nfs/dbraw/zinc/95/85/16/764958516.db2.gz XYQDXBLRYAQBPO-CVEARBPZSA-N 1 3 340.512 0.881 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(C[C@H]3CCc4ncnn43)C2)CC1 ZINC001015797229 765335312 /nfs/dbraw/zinc/33/53/12/765335312.db2.gz ZYYKSDWDBDMLMN-JKSUJKDBSA-N 1 3 346.479 0.688 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2N(CCn2cncn2)CC3)CC1 ZINC000992143283 765645025 /nfs/dbraw/zinc/64/50/25/765645025.db2.gz MJPGRIRZOZOPSJ-FUHWJXTLSA-N 1 3 346.479 0.733 20 0 ECADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001053349521 766012507 /nfs/dbraw/zinc/01/25/07/766012507.db2.gz BXOJZPHNUDIHHA-LSDHHAIUSA-N 1 3 326.485 0.491 20 0 ECADHO CCn1nncc1CN[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001054854294 768339738 /nfs/dbraw/zinc/33/97/38/768339738.db2.gz RLVYPWXBJDVMCV-HOCLYGCPSA-N 1 3 346.479 0.863 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCO)n1 ZINC001045779717 766360956 /nfs/dbraw/zinc/36/09/56/766360956.db2.gz RCAXFTLXDXENCY-CABCVRRESA-N 1 3 335.452 0.116 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1 ZINC001031660071 766376923 /nfs/dbraw/zinc/37/69/23/766376923.db2.gz CXDROPNUORPVMR-IRXDYDNUSA-N 1 3 349.479 0.165 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1 ZINC001031660071 766376932 /nfs/dbraw/zinc/37/69/32/766376932.db2.gz CXDROPNUORPVMR-IRXDYDNUSA-N 1 3 349.479 0.165 20 0 ECADHO C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679369 766444084 /nfs/dbraw/zinc/44/40/84/766444084.db2.gz TZPIEYQAWMQTQF-XYPHTWIQSA-N 1 3 339.480 0.162 20 0 ECADHO CC[C@H](C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1)OC ZINC001046066909 766857794 /nfs/dbraw/zinc/85/77/94/766857794.db2.gz RVAAGVDHFDKQTK-IAGOWNOFSA-N 1 3 349.479 0.596 20 0 ECADHO CC[C@H](C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1)OC ZINC001046066909 766857805 /nfs/dbraw/zinc/85/78/05/766857805.db2.gz RVAAGVDHFDKQTK-IAGOWNOFSA-N 1 3 349.479 0.596 20 0 ECADHO C[C@H](O)CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727794 766863503 /nfs/dbraw/zinc/86/35/03/766863503.db2.gz UGEZJZZWOOZZDE-XJKSGUPXSA-N 1 3 325.453 0.059 20 0 ECADHO C[C@H](O)CN1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727794 766863514 /nfs/dbraw/zinc/86/35/14/766863514.db2.gz UGEZJZZWOOZZDE-XJKSGUPXSA-N 1 3 325.453 0.059 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CCC1 ZINC000994854864 767038594 /nfs/dbraw/zinc/03/85/94/767038594.db2.gz NHJWRMGMKJUPBO-HZPDHXFCSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CCC1 ZINC000994854864 767038604 /nfs/dbraw/zinc/03/86/04/767038604.db2.gz NHJWRMGMKJUPBO-HZPDHXFCSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000938819657 767120405 /nfs/dbraw/zinc/12/04/05/767120405.db2.gz UYGFGYLWCHMIRQ-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC001106910984 767156010 /nfs/dbraw/zinc/15/60/10/767156010.db2.gz ZBRRFNUJHMDJLW-RBSFLKMASA-N 1 3 326.485 0.489 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2O)C1 ZINC001077566754 767203371 /nfs/dbraw/zinc/20/33/71/767203371.db2.gz MXLVORLHUSBDMS-KZNAEPCWSA-N 1 3 347.459 0.457 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2O)C1 ZINC001077566754 767203372 /nfs/dbraw/zinc/20/33/72/767203372.db2.gz MXLVORLHUSBDMS-KZNAEPCWSA-N 1 3 347.459 0.457 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O)C1 ZINC001077566754 767203373 /nfs/dbraw/zinc/20/33/73/767203373.db2.gz MXLVORLHUSBDMS-KZNAEPCWSA-N 1 3 347.459 0.457 20 0 ECADHO CN1CCN(c2cccc(-c3noc([C@@H]4NCC[C@@H]4[NH3+])n3)c2)CC1 ZINC001212328658 767222775 /nfs/dbraw/zinc/22/27/75/767222775.db2.gz DXDOATMTBWHYJN-LSDHHAIUSA-N 1 3 328.420 0.850 20 0 ECADHO C[NH+]1CCC(C(=O)NC2CN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC000994923793 767250647 /nfs/dbraw/zinc/25/06/47/767250647.db2.gz MHVTVSLUFIHDRR-UHFFFAOYSA-N 1 3 336.480 0.387 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016932927 767341229 /nfs/dbraw/zinc/34/12/29/767341229.db2.gz HCXIOSINMMJKSX-KGLIPLIRSA-N 1 3 334.464 0.317 20 0 ECADHO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)CN4CCCC4)C[C@H]32)nn1 ZINC000992903797 767767120 /nfs/dbraw/zinc/76/71/20/767767120.db2.gz CTGQLBUTLMVPKC-DJIMGWMZSA-N 1 3 346.479 0.628 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC1 ZINC001127357147 768470459 /nfs/dbraw/zinc/47/04/59/768470459.db2.gz SWRNFFFDPUYYSD-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC1 ZINC001127357147 768470462 /nfs/dbraw/zinc/47/04/62/768470462.db2.gz SWRNFFFDPUYYSD-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1nnc(C2CC2)n1C ZINC001106622955 768522295 /nfs/dbraw/zinc/52/22/95/768522295.db2.gz ZVCPKTKKTWZHOC-UKRRQHHQSA-N 1 3 348.495 0.828 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1cc2n(n1)CCC2 ZINC001106626798 768525887 /nfs/dbraw/zinc/52/58/87/768525887.db2.gz LRSDFNOKVBNJOJ-HUUCEWRRSA-N 1 3 333.480 0.965 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106665992 768578489 /nfs/dbraw/zinc/57/84/89/768578489.db2.gz DJYDLKROZGZSGQ-ARFHVFGLSA-N 1 3 327.469 0.021 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000993828886 769696024 /nfs/dbraw/zinc/69/60/24/769696024.db2.gz GMQIPYOFDZOTOM-QGZVFWFLSA-N 1 3 344.459 0.783 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993959501 769895658 /nfs/dbraw/zinc/89/56/58/769895658.db2.gz PDQKHMABAWIUOP-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993959501 769895673 /nfs/dbraw/zinc/89/56/73/769895673.db2.gz PDQKHMABAWIUOP-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000993961983 769900511 /nfs/dbraw/zinc/90/05/11/769900511.db2.gz VQRRUGRXRFXMRJ-KRWDZBQOSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000993961983 769900517 /nfs/dbraw/zinc/90/05/17/769900517.db2.gz VQRRUGRXRFXMRJ-KRWDZBQOSA-N 1 3 348.491 0.816 20 0 ECADHO CN(CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)C1CCC1 ZINC001018972807 770437509 /nfs/dbraw/zinc/43/75/09/770437509.db2.gz QEIHTXCQIDTOLI-ZFWWWQNUSA-N 1 3 332.452 0.440 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C3)CCC1 ZINC001019107875 770803854 /nfs/dbraw/zinc/80/38/54/770803854.db2.gz AHPNIIZQYVVUJR-HNNXBMFYSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C3)CCC1 ZINC001019107875 770803863 /nfs/dbraw/zinc/80/38/63/770803863.db2.gz AHPNIIZQYVVUJR-HNNXBMFYSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C3)C1 ZINC001019443531 771294880 /nfs/dbraw/zinc/29/48/80/771294880.db2.gz RLMIGJBCPKOSLF-HZPDHXFCSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C3)C1 ZINC001019443531 771294885 /nfs/dbraw/zinc/29/48/85/771294885.db2.gz RLMIGJBCPKOSLF-HZPDHXFCSA-N 1 3 348.491 0.341 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[NH+](C)C ZINC001056487654 771325997 /nfs/dbraw/zinc/32/59/97/771325997.db2.gz CORNDDSZWXZUDO-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001056546015 771370430 /nfs/dbraw/zinc/37/04/30/771370430.db2.gz PUYABKSKIMQJFS-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056548428 771372600 /nfs/dbraw/zinc/37/26/00/771372600.db2.gz NEDJZQXOYMSOOS-LSDHHAIUSA-N 1 3 333.436 0.496 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]C[C@H]3CCc4ncnn43)C2)CC1 ZINC001019560696 771487201 /nfs/dbraw/zinc/48/72/01/771487201.db2.gz STBASQXERVZISS-JKSUJKDBSA-N 1 3 346.479 0.688 20 0 ECADHO CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CCCO1 ZINC001078433107 782940072 /nfs/dbraw/zinc/94/00/72/782940072.db2.gz SRVYRKDKLSTNSH-BNQMIIOLSA-N 1 3 337.464 0.465 20 0 ECADHO O=C(CN[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)N1CCC1 ZINC001019630615 771632317 /nfs/dbraw/zinc/63/23/17/771632317.db2.gz CVNXCEIHATUVJL-KRWDZBQOSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001019652316 771669754 /nfs/dbraw/zinc/66/97/54/771669754.db2.gz LNLQLVWPRSFUHE-WBVHZDCISA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001019652316 771669757 /nfs/dbraw/zinc/66/97/57/771669757.db2.gz LNLQLVWPRSFUHE-WBVHZDCISA-N 1 3 344.459 0.818 20 0 ECADHO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001019820558 771838250 /nfs/dbraw/zinc/83/82/50/771838250.db2.gz PEAIVVXNDWFBMH-INIZCTEOSA-N 1 3 344.459 0.785 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020161996 772231596 /nfs/dbraw/zinc/23/15/96/772231596.db2.gz WGCVFGXFIGFFQE-JYJNAYRXSA-N 1 3 346.479 0.685 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H](NCc3ccns3)C2)n1 ZINC001020165187 772234684 /nfs/dbraw/zinc/23/46/84/772234684.db2.gz NOASBWPCNUSYIM-JOCQHMNTSA-N 1 3 348.476 0.952 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001078468937 783007887 /nfs/dbraw/zinc/00/78/87/783007887.db2.gz SDIHTXRVRPJLOT-DOTOQJQBSA-N 1 3 349.479 0.469 20 0 ECADHO CN1CC[C@H]([NH+]2CCC3(CCN(C(=O)[C@H]4CCCN4C)C3)CC2)C1=O ZINC001040640548 783158947 /nfs/dbraw/zinc/15/89/47/783158947.db2.gz CBHWKYOADHEVDH-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1C[C@@H](NCc2nccn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044822467 774651542 /nfs/dbraw/zinc/65/15/42/774651542.db2.gz KMZFBTZRHPUVDD-GJZGRUSLSA-N 1 3 331.464 0.985 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044863072 774685593 /nfs/dbraw/zinc/68/55/93/774685593.db2.gz PJVKDOYMWUEVBY-CZUORRHYSA-N 1 3 332.448 0.816 20 0 ECADHO COc1coc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1=O ZINC001044958798 774767543 /nfs/dbraw/zinc/76/75/43/774767543.db2.gz SZNNGGDHRZXLBT-DZGCQCFKSA-N 1 3 349.431 0.823 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)cc1 ZINC001045241963 775212370 /nfs/dbraw/zinc/21/23/70/775212370.db2.gz QFSCDBLXJYNMED-DLBZAZTESA-N 1 3 344.459 0.831 20 0 ECADHO CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001045276227 775299314 /nfs/dbraw/zinc/29/93/14/775299314.db2.gz CNLYYCUPXLHEDM-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCc2n[nH]c(C3CC3)n2)C1 ZINC001045308736 775375896 /nfs/dbraw/zinc/37/58/96/775375896.db2.gz IQBOSSGXHZTEMG-KBPBESRZSA-N 1 3 332.452 0.714 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCc2n[nH]c(C3CC3)n2)C1 ZINC001045308736 775375911 /nfs/dbraw/zinc/37/59/11/775375911.db2.gz IQBOSSGXHZTEMG-KBPBESRZSA-N 1 3 332.452 0.714 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079807007 776910165 /nfs/dbraw/zinc/91/01/65/776910165.db2.gz GNSOMCGLNMHWPS-UHFFFAOYSA-N 1 3 334.464 0.237 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001079816663 776931204 /nfs/dbraw/zinc/93/12/04/776931204.db2.gz OIVFUAZJKQHHAL-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079816663 776931206 /nfs/dbraw/zinc/93/12/06/776931206.db2.gz OIVFUAZJKQHHAL-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C ZINC001079848812 776973257 /nfs/dbraw/zinc/97/32/57/776973257.db2.gz JCIGXQNAQHZVEO-IXDOHACOSA-N 1 3 348.495 0.978 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C ZINC001079848812 776973260 /nfs/dbraw/zinc/97/32/60/776973260.db2.gz JCIGXQNAQHZVEO-IXDOHACOSA-N 1 3 348.495 0.978 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1)N(C)C ZINC001080148088 777467287 /nfs/dbraw/zinc/46/72/87/777467287.db2.gz WGWJKQYJHWVVCP-JKSUJKDBSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080384345 777777367 /nfs/dbraw/zinc/77/73/67/777777367.db2.gz VEMOZQTZJHEEAJ-UHFFFAOYSA-N 1 3 326.485 0.728 20 0 ECADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001080444438 777867324 /nfs/dbraw/zinc/86/73/24/777867324.db2.gz KUQSWGBFHYBKQK-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080557646 778023422 /nfs/dbraw/zinc/02/34/22/778023422.db2.gz BOMWVFQBISJMMB-ZBFHGGJFSA-N 1 3 338.496 0.584 20 0 ECADHO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080557646 778023433 /nfs/dbraw/zinc/02/34/33/778023433.db2.gz BOMWVFQBISJMMB-ZBFHGGJFSA-N 1 3 338.496 0.584 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078499390 780024058 /nfs/dbraw/zinc/02/40/58/780024058.db2.gz XBVHAXLRCVPRFT-DOTOQJQBSA-N 1 3 349.479 0.469 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078499390 780024065 /nfs/dbraw/zinc/02/40/65/780024065.db2.gz XBVHAXLRCVPRFT-DOTOQJQBSA-N 1 3 349.479 0.469 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001077618553 781359931 /nfs/dbraw/zinc/35/99/31/781359931.db2.gz MDDBZBVTAHSORO-BZUAXINKSA-N 1 3 325.453 0.059 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001077661666 781451607 /nfs/dbraw/zinc/45/16/07/781451607.db2.gz CMVHMPHOVXMZAI-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@H](C(N)=O)N1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440670 781520714 /nfs/dbraw/zinc/52/07/14/781520714.db2.gz PXSGEJLKRNCECZ-QAPCUYQASA-N 1 3 348.491 0.803 20 0 ECADHO COCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489103 781617534 /nfs/dbraw/zinc/61/75/34/781617534.db2.gz NRJWWIUFLTTWKO-DPCKTDSQSA-N 1 3 349.475 0.420 20 0 ECADHO COCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489103 781617542 /nfs/dbraw/zinc/61/75/42/781617542.db2.gz NRJWWIUFLTTWKO-DPCKTDSQSA-N 1 3 349.475 0.420 20 0 ECADHO CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)OC ZINC001077779394 781681707 /nfs/dbraw/zinc/68/17/07/781681707.db2.gz KZMNNGGFFGHAJS-BZUAXINKSA-N 1 3 327.469 0.305 20 0 ECADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040713706 783315881 /nfs/dbraw/zinc/31/58/81/783315881.db2.gz XXADKZDRVSXWJM-HOTGVXAUSA-N 1 3 337.464 0.156 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001040849675 783557246 /nfs/dbraw/zinc/55/72/46/783557246.db2.gz SUBCDRVYFMWOGV-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001040849675 783557253 /nfs/dbraw/zinc/55/72/53/783557253.db2.gz SUBCDRVYFMWOGV-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCN1CCCC1=O ZINC001037937213 783714430 /nfs/dbraw/zinc/71/44/30/783714430.db2.gz YOJJCLBSDFBZNQ-GOEBONIOSA-N 1 3 347.463 0.791 20 0 ECADHO CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1NCc1nnc(C)[nH]1 ZINC001037957796 783735950 /nfs/dbraw/zinc/73/59/50/783735950.db2.gz BUQZHGVEOSYMAC-HUUCEWRRSA-N 1 3 346.479 0.926 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070275593 783780425 /nfs/dbraw/zinc/78/04/25/783780425.db2.gz UVOATXBLCCYMIL-OIISXLGYSA-N 1 3 346.479 0.762 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CCO)C2)CC[N@@H+]1C ZINC001070411142 784000836 /nfs/dbraw/zinc/00/08/36/784000836.db2.gz DZDKDCBXUTTXHY-VNQPRFMTSA-N 1 3 349.479 0.538 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CCO)C2)CC[N@H+]1C ZINC001070411142 784000844 /nfs/dbraw/zinc/00/08/44/784000844.db2.gz DZDKDCBXUTTXHY-VNQPRFMTSA-N 1 3 349.479 0.538 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCN2CC[C@@H]2CCOC2)n1 ZINC001038256589 784070669 /nfs/dbraw/zinc/07/06/69/784070669.db2.gz DCPRGOKDGQYWOG-CVEARBPZSA-N 1 3 349.479 0.675 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CCN2C[C@@H]2CCCOC2)n1 ZINC001038259367 784075885 /nfs/dbraw/zinc/07/58/85/784075885.db2.gz GBKQGAPFHMPEDI-JKSUJKDBSA-N 1 3 349.479 0.675 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070567823 784284916 /nfs/dbraw/zinc/28/49/16/784284916.db2.gz JARKRUSUNJYVJU-UAGQMJEPSA-N 1 3 349.479 0.171 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001071017954 784430744 /nfs/dbraw/zinc/43/07/44/784430744.db2.gz UDOIECRGTWQJDH-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071042711 784473912 /nfs/dbraw/zinc/47/39/12/784473912.db2.gz GFAQCCYBXVBVDQ-PMPSAXMXSA-N 1 3 325.453 0.059 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@]2(CCN(CCO)C2)O1 ZINC001071244677 784823640 /nfs/dbraw/zinc/82/36/40/784823640.db2.gz ZOMOIQZLEXVJIU-WMZOPIPTSA-N 1 3 339.480 0.547 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001071346402 784987294 /nfs/dbraw/zinc/98/72/94/784987294.db2.gz PDDQRFCIUDGSEZ-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001071418342 785066590 /nfs/dbraw/zinc/06/65/90/785066590.db2.gz IFGVZIFKPDBMMX-GDBMZVCRSA-N 1 3 347.463 0.934 20 0 ECADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001071418342 785066596 /nfs/dbraw/zinc/06/65/96/785066596.db2.gz IFGVZIFKPDBMMX-GDBMZVCRSA-N 1 3 347.463 0.934 20 0 ECADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001072369306 786092222 /nfs/dbraw/zinc/09/22/22/786092222.db2.gz OAJOMOUOJOSJRA-KGLIPLIRSA-N 1 3 330.436 0.960 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)[C@@H]1C)N(C)C ZINC001074710845 787658415 /nfs/dbraw/zinc/65/84/15/787658415.db2.gz HWSMUOFHJIUQPN-HRCADAONSA-N 1 3 338.496 0.918 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001074091221 787860091 /nfs/dbraw/zinc/86/00/91/787860091.db2.gz USHNNWDZGVSVHT-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001074164298 787972501 /nfs/dbraw/zinc/97/25/01/787972501.db2.gz CYCAHQWCFVWBJR-HIFRSBDPSA-N 1 3 335.452 0.647 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001074882962 788484379 /nfs/dbraw/zinc/48/43/79/788484379.db2.gz ZHALIMRIIGHLSF-KKUMJFAQSA-N 1 3 336.480 0.576 20 0 ECADHO CCN(C)C(C)(C)C(=O)N[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001072679091 788577982 /nfs/dbraw/zinc/57/79/82/788577982.db2.gz DDIMNOUMQSJPOA-KGLIPLIRSA-N 1 3 326.485 0.632 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001075005069 788713237 /nfs/dbraw/zinc/71/32/37/788713237.db2.gz YPRNWDYZDLNVTN-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@H+](CCN2CCCC2=O)C3)CCC1 ZINC001072812107 788861764 /nfs/dbraw/zinc/86/17/64/788861764.db2.gz SDDBOZHTABKHON-UHFFFAOYSA-N 1 3 348.491 0.627 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@@H+](CCN2CCCC2=O)C3)CCC1 ZINC001072812107 788861774 /nfs/dbraw/zinc/86/17/74/788861774.db2.gz SDDBOZHTABKHON-UHFFFAOYSA-N 1 3 348.491 0.627 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2)C1CC1 ZINC001072814434 788871524 /nfs/dbraw/zinc/87/15/24/788871524.db2.gz DRVJZMRXAGJXOY-MRXNPFEDSA-N 1 3 331.464 0.758 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2)C1CC1 ZINC001072814434 788871535 /nfs/dbraw/zinc/87/15/35/788871535.db2.gz DRVJZMRXAGJXOY-MRXNPFEDSA-N 1 3 331.464 0.758 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001075155644 788994028 /nfs/dbraw/zinc/99/40/28/788994028.db2.gz LIZYFEUXTRWEDE-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001072922861 789120102 /nfs/dbraw/zinc/12/01/02/789120102.db2.gz CRUAASUOMJJOLN-AWEZNQCLSA-N 1 3 348.447 0.753 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001072922861 789120110 /nfs/dbraw/zinc/12/01/10/789120110.db2.gz CRUAASUOMJJOLN-AWEZNQCLSA-N 1 3 348.447 0.753 20 0 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CCCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408872323 838880268 /nfs/dbraw/zinc/88/02/68/838880268.db2.gz VSZMJADJEGIDEB-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408872323 838880279 /nfs/dbraw/zinc/88/02/79/838880279.db2.gz VSZMJADJEGIDEB-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000418848195 282169938 /nfs/dbraw/zinc/16/99/38/282169938.db2.gz LBNHWFJOKKJYKV-CVEARBPZSA-N 1 3 332.448 0.129 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)[C@@H](C)C1 ZINC000354683342 299096160 /nfs/dbraw/zinc/09/61/60/299096160.db2.gz MFLSHOZHXYEFQI-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)[C@@H](C)C1 ZINC000354683342 299096166 /nfs/dbraw/zinc/09/61/66/299096166.db2.gz MFLSHOZHXYEFQI-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2O)C1 ZINC000426213196 210138573 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ZINC000420115425 209309744 /nfs/dbraw/zinc/30/97/44/209309744.db2.gz GPQZRYVFKMYZFQ-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000423224972 283601973 /nfs/dbraw/zinc/60/19/73/283601973.db2.gz KSYPLUODGICZAY-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420076028 209298560 /nfs/dbraw/zinc/29/85/60/209298560.db2.gz KZFXJURTOANSOZ-UHFFFAOYSA-N 1 3 326.466 0.492 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420054251 209290736 /nfs/dbraw/zinc/29/07/36/209290736.db2.gz FGNDNKNVIVMXAB-CQSZACIVSA-N 1 3 338.477 0.492 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000420021568 209279859 /nfs/dbraw/zinc/27/98/59/209279859.db2.gz IDQRPGXEIDBKRI-NSHDSACASA-N 1 3 342.390 0.318 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419997637 209273580 /nfs/dbraw/zinc/27/35/80/209273580.db2.gz KGPMICBTWSPIBO-ARFHVFGLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000419984355 209269920 /nfs/dbraw/zinc/26/99/20/209269920.db2.gz DBIWTWZWVGFQOM-ZDUSSCGKSA-N 1 3 338.427 0.569 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419969262 209264122 /nfs/dbraw/zinc/26/41/22/209264122.db2.gz ROPCZHAOTMPILI-JKSUJKDBSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419961704 209262344 /nfs/dbraw/zinc/26/23/44/209262344.db2.gz SVPRDAYBKLMWPX-JKSUJKDBSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCSC1 ZINC000419592375 209134030 /nfs/dbraw/zinc/13/40/30/209134030.db2.gz WUSFXHCVQBRUHW-XJKSGUPXSA-N 1 3 342.509 0.127 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000419950825 209257979 /nfs/dbraw/zinc/25/79/79/209257979.db2.gz HUZBAFHOKQMMJR-CYBMUJFWSA-N 1 3 338.427 0.427 20 0 ECADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419939865 209254534 /nfs/dbraw/zinc/25/45/34/209254534.db2.gz YWJLYAAPTKKLOQ-MRXNPFEDSA-N 1 3 344.459 0.889 20 0 ECADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419868296 209231164 /nfs/dbraw/zinc/23/11/64/209231164.db2.gz CHHRCNMSDUIBQI-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419783974 209203002 /nfs/dbraw/zinc/20/30/02/209203002.db2.gz WCUGSACCUDOVBT-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000419768343 209202020 /nfs/dbraw/zinc/20/20/20/209202020.db2.gz CLPPURXCUZHYEX-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000419771742 209201102 /nfs/dbraw/zinc/20/11/02/209201102.db2.gz GWAZDWGURBBBDR-ZNMIVQPWSA-N 1 3 338.496 0.727 20 0 ECADHO COCCN(C)CCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000356297350 299374493 /nfs/dbraw/zinc/37/44/93/299374493.db2.gz BUGZYVTWKAIHJC-UHFFFAOYSA-N 1 3 343.516 0.232 20 0 ECADHO COCCN(C)CCNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000356297350 299374495 /nfs/dbraw/zinc/37/44/95/299374495.db2.gz BUGZYVTWKAIHJC-UHFFFAOYSA-N 1 3 343.516 0.232 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419757288 209198869 /nfs/dbraw/zinc/19/88/69/209198869.db2.gz UHTFBUQUTSHCTH-CQSZACIVSA-N 1 3 342.484 0.092 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419721289 209187945 /nfs/dbraw/zinc/18/79/45/209187945.db2.gz GPDMNZAMIWEZSZ-UHFFFAOYSA-N 1 3 326.485 0.873 20 0 ECADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262514155 245012728 /nfs/dbraw/zinc/01/27/28/245012728.db2.gz MQASVAOWMBFFMF-ROUUACIJSA-N 1 3 344.459 0.880 20 0 ECADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2)C1 ZINC000262634527 245083639 /nfs/dbraw/zinc/08/36/39/245083639.db2.gz HAVXWSINPFGMSE-GJZGRUSLSA-N 1 3 330.432 0.932 20 0 ECADHO CC[C@]1(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CC[NH2+]C1 ZINC000370844377 204249777 /nfs/dbraw/zinc/24/97/77/204249777.db2.gz UOYWLXOYKSYEAX-IBGZPJMESA-N 1 3 346.475 0.984 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419691665 209172528 /nfs/dbraw/zinc/17/25/28/209172528.db2.gz FKXDWQROKQGRDN-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CCN)C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419668065 209164990 /nfs/dbraw/zinc/16/49/90/209164990.db2.gz YEFAWKLYIBLGMM-UHFFFAOYSA-N 1 3 336.436 0.050 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000419655311 209158907 /nfs/dbraw/zinc/15/89/07/209158907.db2.gz SQBXEZMDMRFODG-BBRMVZONSA-N 1 3 336.480 0.611 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000419655311 209158911 /nfs/dbraw/zinc/15/89/11/209158911.db2.gz SQBXEZMDMRFODG-BBRMVZONSA-N 1 3 336.480 0.611 20 0 ECADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419648995 209157565 /nfs/dbraw/zinc/15/75/65/209157565.db2.gz LTBWWMORGRLZQP-UKRRQHHQSA-N 1 3 332.448 0.792 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000419585928 209132952 /nfs/dbraw/zinc/13/29/52/209132952.db2.gz NMVFGUVGGNCCQF-WBMJQRKESA-N 1 3 342.509 0.126 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419589829 209132640 /nfs/dbraw/zinc/13/26/40/209132640.db2.gz SODPUPLSLXYTIO-DOMZBBRYSA-N 1 3 330.498 0.174 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419528989 209117133 /nfs/dbraw/zinc/11/71/33/209117133.db2.gz XGMOLHYMNMZBJB-GOEBONIOSA-N 1 3 338.496 0.824 20 0 ECADHO N[C@@H](CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000419529167 209116597 /nfs/dbraw/zinc/11/65/97/209116597.db2.gz ICIZGVNFHPTWDR-JCYILVPMSA-N 1 3 344.459 0.936 20 0 ECADHO C[C@H]1C[C@H](NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000156111433 206056883 /nfs/dbraw/zinc/05/68/83/206056883.db2.gz PHEFSEPDFVCWKN-JKSUJKDBSA-N 1 3 346.479 0.588 20 0 ECADHO C[C@H]1C[C@H](NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000156111433 206056888 /nfs/dbraw/zinc/05/68/88/206056888.db2.gz PHEFSEPDFVCWKN-JKSUJKDBSA-N 1 3 346.479 0.588 20 0 ECADHO CC[C@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)N(C)C ZINC000161704039 206365433 /nfs/dbraw/zinc/36/54/33/206365433.db2.gz RQOBXRUMDWUCEK-MRXNPFEDSA-N 1 3 334.464 0.934 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000420043609 209287270 /nfs/dbraw/zinc/28/72/70/209287270.db2.gz SAEIOXRRGKCJLI-CHWSQXEVSA-N 1 3 340.468 0.158 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)CC1=O ZINC000444264535 211062945 /nfs/dbraw/zinc/06/29/45/211062945.db2.gz PMHFTHQICVQVFY-OAGGEKHMSA-N 1 3 336.480 0.578 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420120328 209311458 /nfs/dbraw/zinc/31/14/58/209311458.db2.gz JVHJWBPPEPVHQB-LSDHHAIUSA-N 1 3 342.484 0.060 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000420153760 209324021 /nfs/dbraw/zinc/32/40/21/209324021.db2.gz HJSKMLMYDPQQKF-CYBMUJFWSA-N 1 3 340.493 0.753 20 0 ECADHO NC[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430607113 210388319 /nfs/dbraw/zinc/38/83/19/210388319.db2.gz XIDQLWWPYNXGSI-MRXNPFEDSA-N 1 3 331.464 0.934 20 0 ECADHO NC[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430607113 210388323 /nfs/dbraw/zinc/38/83/23/210388323.db2.gz XIDQLWWPYNXGSI-MRXNPFEDSA-N 1 3 331.464 0.934 20 0 ECADHO C[C@@](C[NH3+])(NCCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CC1 ZINC000430596446 210384447 /nfs/dbraw/zinc/38/44/47/210384447.db2.gz ODHVNJMWMREFPI-HNNXBMFYSA-N 1 3 340.449 0.380 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000419475110 209103916 /nfs/dbraw/zinc/10/39/16/209103916.db2.gz DFKNZDDQVHALQH-INIZCTEOSA-N 1 3 338.496 0.955 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000418882489 208894444 /nfs/dbraw/zinc/89/44/44/208894444.db2.gz YZTAEVHGWLAWIY-INIZCTEOSA-N 1 3 332.448 0.225 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419582686 285195150 /nfs/dbraw/zinc/19/51/50/285195150.db2.gz JKVVVDJRMOAUNL-HUUCEWRRSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419434006 209094482 /nfs/dbraw/zinc/09/44/82/209094482.db2.gz ZZSCLALWKFIUID-CQSZACIVSA-N 1 3 332.448 0.405 20 0 ECADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420029688 285251985 /nfs/dbraw/zinc/25/19/85/285251985.db2.gz OJXQTQMLFTXXRR-GOEBONIOSA-N 1 3 347.463 0.358 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419173369 209012263 /nfs/dbraw/zinc/01/22/63/209012263.db2.gz SMXFLRXYMXBWLM-GJZGRUSLSA-N 1 3 326.485 0.857 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419175274 209013580 /nfs/dbraw/zinc/01/35/80/209013580.db2.gz XBUWGVNBHHWTFX-XHSDSOJGSA-N 1 3 338.496 0.953 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419175948 209013658 /nfs/dbraw/zinc/01/36/58/209013658.db2.gz YJFIXBAHRNTNDQ-XHSDSOJGSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419222349 209030550 /nfs/dbraw/zinc/03/05/50/209030550.db2.gz BRPFLIZROCJWES-BHYGNILZSA-N 1 3 344.459 0.573 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000419219554 209031109 /nfs/dbraw/zinc/03/11/09/209031109.db2.gz UANVAFHZENXMBF-HUUCEWRRSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000419219554 209031112 /nfs/dbraw/zinc/03/11/12/209031112.db2.gz UANVAFHZENXMBF-HUUCEWRRSA-N 1 3 346.475 0.998 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CCCC4)C3)C[C@@H]12 ZINC000419225778 209032274 /nfs/dbraw/zinc/03/22/74/209032274.db2.gz HVJUICURZRPQBS-YYIAUSFCSA-N 1 3 348.491 0.563 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419233794 209035129 /nfs/dbraw/zinc/03/51/29/209035129.db2.gz WPACAAIACWRICW-JKSUJKDBSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)N1CCCNCC1 ZINC000419273721 209047460 /nfs/dbraw/zinc/04/74/60/209047460.db2.gz XCEGKZSGQSKRCM-UHFFFAOYSA-N 1 3 344.459 0.721 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000419373158 209072898 /nfs/dbraw/zinc/07/28/98/209072898.db2.gz NRJXOBWJFUZVRT-OAHLLOKOSA-N 1 3 326.485 0.537 20 0 ECADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261880055 165257460 /nfs/dbraw/zinc/25/74/60/165257460.db2.gz PBHDNZBNSOMLQZ-BZUAXINKSA-N 1 3 338.496 0.822 20 0 ECADHO CCC[C@@](C)(N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000262503535 165356713 /nfs/dbraw/zinc/35/67/13/165356713.db2.gz FLWISSSNHWWPEM-CQSZACIVSA-N 1 3 328.438 0.380 20 0 ECADHO CN(C)C1(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CCCC1 ZINC000262517848 165357415 /nfs/dbraw/zinc/35/74/15/165357415.db2.gz KKAXJRREAWLBAM-UHFFFAOYSA-N 1 3 331.482 0.144 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])Cc1ccccc1 ZINC000419393188 209077442 /nfs/dbraw/zinc/07/74/42/209077442.db2.gz MBMDHRMEDKSHJF-WBVHZDCISA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@H]1CN ZINC000423743567 287323642 /nfs/dbraw/zinc/32/36/42/287323642.db2.gz VKBFAJYAUVIXKJ-PMPSAXMXSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@H]1N(C)C ZINC000331689574 296957270 /nfs/dbraw/zinc/95/72/70/296957270.db2.gz WJVYVXCYWWDHBN-VNQPRFMTSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N(CC[NH3+])Cc2ccccc2)CC1=O ZINC000184201314 263158343 /nfs/dbraw/zinc/15/83/43/263158343.db2.gz SXYYUQKSMJQPKB-INIZCTEOSA-N 1 3 332.448 0.384 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000285195617 264289126 /nfs/dbraw/zinc/28/91/26/264289126.db2.gz VKFCKBRMIXMENL-UHFFFAOYSA-N 1 3 334.464 0.775 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000285195617 264289127 /nfs/dbraw/zinc/28/91/27/264289127.db2.gz VKFCKBRMIXMENL-UHFFFAOYSA-N 1 3 334.464 0.775 20 0 ECADHO CN(Cc1ccccc1C[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000285598988 264326500 /nfs/dbraw/zinc/32/65/00/264326500.db2.gz PKNKDDMKDFPPLL-BRSBDYLESA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccccc1C[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000285598988 264326502 /nfs/dbraw/zinc/32/65/02/264326502.db2.gz PKNKDDMKDFPPLL-BRSBDYLESA-N 1 3 336.432 0.070 20 0 ECADHO C[C@@H](C[NH3+])C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000286166737 264376008 /nfs/dbraw/zinc/37/60/08/264376008.db2.gz QPYBTHQDSLGBBN-HNNXBMFYSA-N 1 3 334.464 0.870 20 0 ECADHO Cc1nccn1CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000297654110 265171907 /nfs/dbraw/zinc/17/19/07/265171907.db2.gz IPBKUSAESDYYBX-UHFFFAOYSA-N 1 3 342.447 0.915 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)N(C)C1CC1 ZINC000419595139 274220982 /nfs/dbraw/zinc/22/09/82/274220982.db2.gz WDOUNTQUSAWOGT-RRQGHBQHSA-N 1 3 344.459 0.539 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000420118837 274240792 /nfs/dbraw/zinc/24/07/92/274240792.db2.gz INHIXKRDQPICNX-CJNGLKHVSA-N 1 3 332.448 0.875 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420049874 276072142 /nfs/dbraw/zinc/07/21/42/276072142.db2.gz YOERLGVKPVMHDY-IHRRRGAJSA-N 1 3 340.468 0.016 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420049874 276072143 /nfs/dbraw/zinc/07/21/43/276072143.db2.gz YOERLGVKPVMHDY-IHRRRGAJSA-N 1 3 340.468 0.016 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000418958561 277020033 /nfs/dbraw/zinc/02/00/33/277020033.db2.gz GOZRTJDYJBICEM-OAHLLOKOSA-N 1 3 346.475 0.834 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419230723 277026920 /nfs/dbraw/zinc/02/69/20/277026920.db2.gz QJMJLTLOBHSFQS-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419691669 277275050 /nfs/dbraw/zinc/27/50/50/277275050.db2.gz FKXDWQROKQGRDN-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171649 277379501 /nfs/dbraw/zinc/37/95/01/277379501.db2.gz UFDPLXNBOQLJPO-OAHLLOKOSA-N 1 3 340.512 0.927 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419690860 277386929 /nfs/dbraw/zinc/38/69/29/277386929.db2.gz FDKORVLUCIMTMY-ARFHVFGLSA-N 1 3 338.496 0.727 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419690863 277387046 /nfs/dbraw/zinc/38/70/46/277387046.db2.gz FDKORVLUCIMTMY-OAGGEKHMSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000340212232 437599050 /nfs/dbraw/zinc/59/90/50/437599050.db2.gz BQVGCLBOEHZEGV-OWCLPIDISA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000340212232 437599056 /nfs/dbraw/zinc/59/90/56/437599056.db2.gz BQVGCLBOEHZEGV-OWCLPIDISA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000423219235 278121345 /nfs/dbraw/zinc/12/13/45/278121345.db2.gz SYWCGTKGAAPMJT-SFHVURJKSA-N 1 3 336.480 0.661 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000442601569 279034533 /nfs/dbraw/zinc/03/45/33/279034533.db2.gz FHGSOIXRQLAROG-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000442601569 279034534 /nfs/dbraw/zinc/03/45/34/279034534.db2.gz FHGSOIXRQLAROG-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419398892 279290383 /nfs/dbraw/zinc/29/03/83/279290383.db2.gz IMARKFPYWQBRAE-VYDXJSESSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419398892 279290387 /nfs/dbraw/zinc/29/03/87/279290387.db2.gz IMARKFPYWQBRAE-VYDXJSESSA-N 1 3 346.475 0.819 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236884160 279360160 /nfs/dbraw/zinc/36/01/60/279360160.db2.gz KAPAVZSDJONSKX-CABCVRRESA-N 1 3 328.526 0.471 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419175584 280234396 /nfs/dbraw/zinc/23/43/96/280234396.db2.gz XYRUESOFYLNNRH-INIZCTEOSA-N 1 3 334.464 0.676 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340214650 437604151 /nfs/dbraw/zinc/60/41/51/437604151.db2.gz NLZBOXMBTVBJME-FMKPAKJESA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000340214650 437604154 /nfs/dbraw/zinc/60/41/54/437604154.db2.gz NLZBOXMBTVBJME-FMKPAKJESA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343639075 437610648 /nfs/dbraw/zinc/61/06/48/437610648.db2.gz LFDJYYNVNSCLBH-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343639075 437610651 /nfs/dbraw/zinc/61/06/51/437610651.db2.gz LFDJYYNVNSCLBH-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420072940 289406079 /nfs/dbraw/zinc/40/60/79/289406079.db2.gz XQKXPOZVUVKYQC-FVQBIDKESA-N 1 3 338.496 0.809 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000332105859 297002638 /nfs/dbraw/zinc/00/26/38/297002638.db2.gz UEDFCHOOBDEDEI-CABCVRRESA-N 1 3 336.480 0.849 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000332440753 297040856 /nfs/dbraw/zinc/04/08/56/297040856.db2.gz AWQLEEFZOBGRQS-NRXISQOPSA-N 1 3 337.468 0.204 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1 ZINC000332602449 297057004 /nfs/dbraw/zinc/05/70/04/297057004.db2.gz JJSHXIFUXOZPAI-GOEBONIOSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[NH2+]1 ZINC000333897075 297154691 /nfs/dbraw/zinc/15/46/91/297154691.db2.gz ZGJYVXBFKPZNLT-QLFBSQMISA-N 1 3 337.468 0.075 20 0 ECADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCCN1CCC1 ZINC000337605823 297198383 /nfs/dbraw/zinc/19/83/83/297198383.db2.gz BDIPSZVUBPVAGN-UHFFFAOYSA-N 1 3 346.479 0.599 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000337718526 297208968 /nfs/dbraw/zinc/20/89/68/297208968.db2.gz MXVHIRCWYHSRQC-KRWDZBQOSA-N 1 3 344.500 0.488 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000338325300 297257303 /nfs/dbraw/zinc/25/73/03/297257303.db2.gz SHRUFEHMNLNJQL-CVEARBPZSA-N 1 3 327.517 0.898 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000339580422 297361346 /nfs/dbraw/zinc/36/13/46/297361346.db2.gz HJXOIXOBVLUXAV-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000339635056 297366888 /nfs/dbraw/zinc/36/68/88/297366888.db2.gz NWJLIXVNELPSSC-HNNXBMFYSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)N(C)C1CC1 ZINC000339735328 297375509 /nfs/dbraw/zinc/37/55/09/297375509.db2.gz WBGLGGHERULTDX-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@H]1N(C)C ZINC000339743838 297376919 /nfs/dbraw/zinc/37/69/19/297376919.db2.gz WQQXZCRAVTUTJZ-RHSMWYFYSA-N 1 3 346.475 0.773 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344434660 298019689 /nfs/dbraw/zinc/01/96/89/298019689.db2.gz LCQZHQGWMHCDOP-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CN(C)C)NC(=O)c1ccoc1CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346235901 298242093 /nfs/dbraw/zinc/24/20/93/298242093.db2.gz YCRDAAYBGSRKLW-QWHCGFSZSA-N 1 3 338.452 0.568 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)c1ccoc1CC(=O)N[C@@H](C)CN(C)C ZINC000346235901 298242097 /nfs/dbraw/zinc/24/20/97/298242097.db2.gz YCRDAAYBGSRKLW-QWHCGFSZSA-N 1 3 338.452 0.568 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000346276189 298248146 /nfs/dbraw/zinc/24/81/46/298248146.db2.gz GXEBSEOHNYNRDK-CABCVRRESA-N 1 3 325.453 0.895 20 0 ECADHO CCOC(=O)C1CCN(C(=O)CN(C)CC2CC[NH2+]CC2)CC1 ZINC000346819417 298348781 /nfs/dbraw/zinc/34/87/81/298348781.db2.gz BXEKVSHROIHSKL-UHFFFAOYSA-N 1 3 325.453 0.720 20 0 ECADHO C[C@H](CCCC[NH3+])NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417428746 298387767 /nfs/dbraw/zinc/38/77/67/298387767.db2.gz LSOVQZQFOONTOJ-HUUCEWRRSA-N 1 3 341.500 0.746 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419433570 298557987 /nfs/dbraw/zinc/55/79/87/298557987.db2.gz ZODCMELTKXJRLZ-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419127014 298579157 /nfs/dbraw/zinc/57/91/57/298579157.db2.gz YYBXOZRUGROTJQ-HZPDHXFCSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000353334713 299039801 /nfs/dbraw/zinc/03/98/01/299039801.db2.gz FXZPZLDNCIBXNT-JKSUJKDBSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC000353334713 299039804 /nfs/dbraw/zinc/03/98/04/299039804.db2.gz FXZPZLDNCIBXNT-JKSUJKDBSA-N 1 3 325.501 0.748 20 0 ECADHO CO[C@@H](CN)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000353437040 299048624 /nfs/dbraw/zinc/04/86/24/299048624.db2.gz YFXZNTWZZLJLJQ-ZBFHGGJFSA-N 1 3 335.448 0.976 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000361323741 300082921 /nfs/dbraw/zinc/08/29/21/300082921.db2.gz ITKQOTAUGPJIEV-IRXDYDNUSA-N 1 3 339.480 0.450 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000361826466 300130339 /nfs/dbraw/zinc/13/03/39/300130339.db2.gz YAMYBOPWARTSCT-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000361826466 300130344 /nfs/dbraw/zinc/13/03/44/300130344.db2.gz YAMYBOPWARTSCT-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000362571045 300200216 /nfs/dbraw/zinc/20/02/16/300200216.db2.gz UUJFFPCLTGYKTH-HUUCEWRRSA-N 1 3 347.463 0.671 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000420059071 300581384 /nfs/dbraw/zinc/58/13/84/300581384.db2.gz KGGBDQGRUUXWON-KGLIPLIRSA-N 1 3 340.468 0.160 20 0 ECADHO C[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000074654568 436133394 /nfs/dbraw/zinc/13/33/94/436133394.db2.gz BBTVSEXFNLMVJO-MRXNPFEDSA-N 1 3 339.528 0.853 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000074657073 436133532 /nfs/dbraw/zinc/13/35/32/436133532.db2.gz JVALAAOPTKKFIO-JKSUJKDBSA-N 1 3 325.501 0.606 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCCC[NH+]2CCCCCC2)CC1=O ZINC000074188265 436113358 /nfs/dbraw/zinc/11/33/58/436113358.db2.gz XAGUFPNIJILCBG-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1=O ZINC000372432281 301001262 /nfs/dbraw/zinc/00/12/62/301001262.db2.gz TVAUYXIENQBEJV-OAHLLOKOSA-N 1 3 336.480 0.389 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377931001 301392742 /nfs/dbraw/zinc/39/27/42/301392742.db2.gz GCNUQNJEFWLUCU-UHFFFAOYSA-N 1 3 334.464 0.381 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000378203997 301420253 /nfs/dbraw/zinc/42/02/53/301420253.db2.gz KENHFLUXVWDTRB-DOTOQJQBSA-N 1 3 326.485 0.145 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)CC1=O ZINC000081338340 436344171 /nfs/dbraw/zinc/34/41/71/436344171.db2.gz ORCXJHRQHGMTIX-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(CNC(=O)NCC1CC[NH2+]CC1)NCCN1CCCCCC1 ZINC000515375742 301639683 /nfs/dbraw/zinc/63/96/83/301639683.db2.gz REOVRIPDNOFJFQ-UHFFFAOYSA-N 1 3 339.484 0.277 20 0 ECADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000516173606 301658642 /nfs/dbraw/zinc/65/86/42/301658642.db2.gz LWNNRPKHRGHMGK-KFWWJZLASA-N 1 3 332.514 0.625 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCN2CCCCC2)C1 ZINC000105062126 436568058 /nfs/dbraw/zinc/56/80/58/436568058.db2.gz DXSZCYJACBXHDQ-OAHLLOKOSA-N 1 3 339.484 0.359 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCN2CCCCC2)C1 ZINC000105062126 436568061 /nfs/dbraw/zinc/56/80/61/436568061.db2.gz DXSZCYJACBXHDQ-OAHLLOKOSA-N 1 3 339.484 0.359 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccnc(N(C)C)n1 ZINC000540569391 302177382 /nfs/dbraw/zinc/17/73/82/302177382.db2.gz MZYQYFMVFBEVQL-UHFFFAOYSA-N 1 3 337.472 0.177 20 0 ECADHO C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000540967205 302181786 /nfs/dbraw/zinc/18/17/86/302181786.db2.gz HQRQXASMRPMLJW-OAHLLOKOSA-N 1 3 337.512 0.962 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC1(C)C ZINC000548814130 302328335 /nfs/dbraw/zinc/32/83/35/302328335.db2.gz PTUNGWUTFTVMJL-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC[NH2+]C1 ZINC000269314243 436657768 /nfs/dbraw/zinc/65/77/68/436657768.db2.gz YLLGJFADUZXRQY-SFHVURJKSA-N 1 3 331.464 0.710 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000121310106 436710998 /nfs/dbraw/zinc/71/09/98/436710998.db2.gz SXTCLPAXSWDPLW-SFHVURJKSA-N 1 3 332.448 0.736 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1C)N(C)C ZINC000152089910 436720179 /nfs/dbraw/zinc/72/01/79/436720179.db2.gz JGKMIXGJORFNND-SOUVJXGZSA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)N(C)C)C[C@@H]1C)[NH+](C)C ZINC000152089910 436720181 /nfs/dbraw/zinc/72/01/81/436720181.db2.gz JGKMIXGJORFNND-SOUVJXGZSA-N 1 3 326.485 0.726 20 0 ECADHO OCCN1CCN(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121832965 436725590 /nfs/dbraw/zinc/72/55/90/436725590.db2.gz KYMVOFXYEMFECC-KSZLIROESA-N 1 3 337.508 0.924 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000237173487 436725676 /nfs/dbraw/zinc/72/56/76/436725676.db2.gz IJWQYYOZLSWYDI-MRXNPFEDSA-N 1 3 332.448 0.736 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000152680767 436737928 /nfs/dbraw/zinc/73/79/28/436737928.db2.gz JNFBSXSERRNGII-LJQANCHMSA-N 1 3 348.491 0.871 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155234023 436791671 /nfs/dbraw/zinc/79/16/71/436791671.db2.gz DEKCOEJTUIOAIO-IRXDYDNUSA-N 1 3 339.480 0.857 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000155234023 436791675 /nfs/dbraw/zinc/79/16/75/436791675.db2.gz DEKCOEJTUIOAIO-IRXDYDNUSA-N 1 3 339.480 0.857 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCC2CC[NH2+]CC2)CC1=O ZINC000247452575 436794988 /nfs/dbraw/zinc/79/49/88/436794988.db2.gz ZYHMWNDLYGVKJZ-HOTGVXAUSA-N 1 3 336.480 0.435 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261868429 436891826 /nfs/dbraw/zinc/89/18/26/436891826.db2.gz STCWSJDQRHIEIJ-QGZVFWFLSA-N 1 3 335.448 0.997 20 0 ECADHO COCC[N@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000171194341 436972794 /nfs/dbraw/zinc/97/27/94/436972794.db2.gz SPUSQTQPWMRWGZ-MRXNPFEDSA-N 1 3 343.516 0.136 20 0 ECADHO COCC[N@@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000171194341 436972796 /nfs/dbraw/zinc/97/27/96/436972796.db2.gz SPUSQTQPWMRWGZ-MRXNPFEDSA-N 1 3 343.516 0.136 20 0 ECADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000171304079 436975835 /nfs/dbraw/zinc/97/58/35/436975835.db2.gz HXCDVJNRCFXSHA-STQMWFEESA-N 1 3 326.441 0.393 20 0 ECADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262436508 436934576 /nfs/dbraw/zinc/93/45/76/436934576.db2.gz CHIHMCSPVGHPQA-DLBZAZTESA-N 1 3 333.432 0.552 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000263280308 436961166 /nfs/dbraw/zinc/96/11/66/436961166.db2.gz ZZAFBVWBHIAAES-FQLMCAECSA-N 1 3 326.485 0.569 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000263280308 436961169 /nfs/dbraw/zinc/96/11/69/436961169.db2.gz ZZAFBVWBHIAAES-FQLMCAECSA-N 1 3 326.485 0.569 20 0 ECADHO CN1CCO[C@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000173337400 437046359 /nfs/dbraw/zinc/04/63/59/437046359.db2.gz UFMYVZARBSHFHP-INIZCTEOSA-N 1 3 338.496 0.384 20 0 ECADHO CN(C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)[C@H]1CCC[NH2+]CC1 ZINC000331437791 437095007 /nfs/dbraw/zinc/09/50/07/437095007.db2.gz BBBFKRUFTHVGJH-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000331484918 437102773 /nfs/dbraw/zinc/10/27/73/437102773.db2.gz IONFZZGLLDVGFF-OWCLPIDISA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000331484918 437102781 /nfs/dbraw/zinc/10/27/81/437102781.db2.gz IONFZZGLLDVGFF-OWCLPIDISA-N 1 3 336.480 0.563 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276707495 437151528 /nfs/dbraw/zinc/15/15/28/437151528.db2.gz WKSPYYHZPZFYLJ-UHFFFAOYSA-N 1 3 331.460 0.951 20 0 ECADHO CC(C)[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)N1CCN(C)CC1 ZINC000316709670 437188844 /nfs/dbraw/zinc/18/88/44/437188844.db2.gz JZPBCUHVHBTYRK-CABCVRRESA-N 1 3 328.526 0.470 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332304490 437212458 /nfs/dbraw/zinc/21/24/58/437212458.db2.gz ILDJZWAMMIHSLP-HRCADAONSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000332403617 437219534 /nfs/dbraw/zinc/21/95/34/437219534.db2.gz OBQWPAZSWYDAHQ-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[NH+]1CCC(N2CCN(C[C@H](O)CN(C)C3CC3)CC2)CC1 ZINC000336878448 437303611 /nfs/dbraw/zinc/30/36/11/437303611.db2.gz FJJOTEZGPZDBDM-LJQANCHMSA-N 1 3 338.540 0.932 20 0 ECADHO CN1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182845308 437365124 /nfs/dbraw/zinc/36/51/24/437365124.db2.gz KWLIUOGSPOVBJE-CVEARBPZSA-N 1 3 331.526 0.959 20 0 ECADHO CC(C)CN1CCN(CC(O)CN2CC[NH+](CC(C)C)CC2)CC1 ZINC000181765825 437331444 /nfs/dbraw/zinc/33/14/44/437331444.db2.gz UPKVXHQJKSJSOS-UHFFFAOYSA-N 1 3 340.556 0.895 20 0 ECADHO CCOC(=O)c1nn(C)cc1CNC1CCN(CC[NH+](C)C)CC1 ZINC000186306465 437470237 /nfs/dbraw/zinc/47/02/37/437470237.db2.gz HULUECAMTKGLSJ-UHFFFAOYSA-N 1 3 337.468 0.712 20 0 ECADHO CCOC(=O)c1nn(C)cc1CNC1CC[NH+](CCN(C)C)CC1 ZINC000186306465 437470240 /nfs/dbraw/zinc/47/02/40/437470240.db2.gz HULUECAMTKGLSJ-UHFFFAOYSA-N 1 3 337.468 0.712 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)c(C)c2)CC1 ZINC000269244392 437473705 /nfs/dbraw/zinc/47/37/05/437473705.db2.gz CRIGQLAIJKUCDU-DOTOQJQBSA-N 1 3 332.448 0.798 20 0 ECADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1CCN(C)CC1 ZINC000339638755 437482354 /nfs/dbraw/zinc/48/23/54/437482354.db2.gz PZWSDDXROYJRBU-KFWWJZLASA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000185812103 437450480 /nfs/dbraw/zinc/45/04/80/437450480.db2.gz CITMHBXCZTYHHO-CVEARBPZSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000185812103 437450485 /nfs/dbraw/zinc/45/04/85/437450485.db2.gz CITMHBXCZTYHHO-CVEARBPZSA-N 1 3 337.512 0.796 20 0 ECADHO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1C[C@H](F)CN1 ZINC000188756654 437568973 /nfs/dbraw/zinc/56/89/73/437568973.db2.gz ROMKQNPIXYZWFD-DOTOQJQBSA-N 1 3 335.423 0.960 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340433581 437646061 /nfs/dbraw/zinc/64/60/61/437646061.db2.gz PNSPILQOCFUHKU-INIZCTEOSA-N 1 3 344.525 0.388 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343789442 437658283 /nfs/dbraw/zinc/65/82/83/437658283.db2.gz WCLBLXAQIZFTKQ-HOCLYGCPSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000343789442 437658285 /nfs/dbraw/zinc/65/82/85/437658285.db2.gz WCLBLXAQIZFTKQ-HOCLYGCPSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1=CCN(C)CC1 ZINC000340490127 437666885 /nfs/dbraw/zinc/66/68/85/437666885.db2.gz LPIDQZPFBRZHOZ-AWEZNQCLSA-N 1 3 348.491 0.744 20 0 ECADHO CS[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)C[C@H]1[NH+]1CCCC1 ZINC000361623817 437676310 /nfs/dbraw/zinc/67/63/10/437676310.db2.gz OUSVLBARCIZOKQ-BZUAXINKSA-N 1 3 338.521 0.415 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1=CCN(C)CC1 ZINC000340517490 437683704 /nfs/dbraw/zinc/68/37/04/437683704.db2.gz QUIQBNYEPAXAOR-KGLIPLIRSA-N 1 3 334.464 0.354 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1=CCN(C)CC1 ZINC000340517490 437683709 /nfs/dbraw/zinc/68/37/09/437683709.db2.gz QUIQBNYEPAXAOR-KGLIPLIRSA-N 1 3 334.464 0.354 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362759286 437753013 /nfs/dbraw/zinc/75/30/13/437753013.db2.gz YTAIRIJAUOUQRN-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000423742791 437820056 /nfs/dbraw/zinc/82/00/56/437820056.db2.gz ZJPIEXFDCRGEFE-MRXNPFEDSA-N 1 3 332.448 0.623 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000423772134 437828262 /nfs/dbraw/zinc/82/82/62/437828262.db2.gz KMAWINVRFQZHKK-RRFJBIMHSA-N 1 3 332.452 0.729 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415293603 437777258 /nfs/dbraw/zinc/77/72/58/437777258.db2.gz JJWANMXAFNALKT-OAHLLOKOSA-N 1 3 348.447 0.904 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000356542878 437783927 /nfs/dbraw/zinc/78/39/27/437783927.db2.gz GNCOUCLAGIJPCW-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000356542878 437783932 /nfs/dbraw/zinc/78/39/32/437783932.db2.gz GNCOUCLAGIJPCW-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000423696938 437806039 /nfs/dbraw/zinc/80/60/39/437806039.db2.gz YKIQQGKUUQUSEA-INIZCTEOSA-N 1 3 332.448 0.527 20 0 ECADHO COCCN1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000341173939 437807896 /nfs/dbraw/zinc/80/78/96/437807896.db2.gz WOLPIKBBZDXYQV-JKSUJKDBSA-N 1 3 342.484 0.459 20 0 ECADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415516309 437814669 /nfs/dbraw/zinc/81/46/69/437814669.db2.gz FPTYTDISJPFBSF-UONOGXRCSA-N 1 3 348.447 0.761 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCN1C ZINC000341203592 437814725 /nfs/dbraw/zinc/81/47/25/437814725.db2.gz OPASFDSYIZIAEQ-HUUCEWRRSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCN1C ZINC000341203592 437814728 /nfs/dbraw/zinc/81/47/28/437814728.db2.gz OPASFDSYIZIAEQ-HUUCEWRRSA-N 1 3 326.485 0.957 20 0 ECADHO NC(C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000424020153 437878011 /nfs/dbraw/zinc/87/80/11/437878011.db2.gz NVFXXFLXYGUJAR-CYBMUJFWSA-N 1 3 344.381 0.986 20 0 ECADHO NC(C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000424020155 437879155 /nfs/dbraw/zinc/87/91/55/437879155.db2.gz NVFXXFLXYGUJAR-ZDUSSCGKSA-N 1 3 344.381 0.986 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1CN(C)C ZINC000415811906 437861603 /nfs/dbraw/zinc/86/16/03/437861603.db2.gz BOSXOTSFLQLEAT-CJNGLKHVSA-N 1 3 330.432 0.815 20 0 ECADHO CC(CC(=O)NCC1(N(C)C)CC1)CC(=O)NCC1([NH+](C)C)CC1 ZINC000416305598 437913737 /nfs/dbraw/zinc/91/37/37/437913737.db2.gz BLHHWZHQHMQFBI-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000341964177 437932384 /nfs/dbraw/zinc/93/23/84/437932384.db2.gz CJXMSXLHDCOUHV-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415958101 437883821 /nfs/dbraw/zinc/88/38/21/437883821.db2.gz VZORHDIDMHDHSM-ZDUSSCGKSA-N 1 3 335.456 0.736 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415958101 437883826 /nfs/dbraw/zinc/88/38/26/437883826.db2.gz VZORHDIDMHDHSM-ZDUSSCGKSA-N 1 3 335.456 0.736 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000371269612 437908575 /nfs/dbraw/zinc/90/85/75/437908575.db2.gz BDYORPMITMUFEI-MRXNPFEDSA-N 1 3 348.495 0.629 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424452948 437939872 /nfs/dbraw/zinc/93/98/72/437939872.db2.gz JCQZTQXIAWSJQW-HZPDHXFCSA-N 1 3 325.501 0.973 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424544142 437970123 /nfs/dbraw/zinc/97/01/23/437970123.db2.gz GYVBJFWUDNUJNO-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC[N@@H+]1C ZINC000347983308 437989529 /nfs/dbraw/zinc/98/95/29/437989529.db2.gz UXSZWKPVQXZSSA-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC[N@H+]1C ZINC000347983308 437989535 /nfs/dbraw/zinc/98/95/35/437989535.db2.gz UXSZWKPVQXZSSA-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCOCCO)CC2)CC1 ZINC000357217312 437935368 /nfs/dbraw/zinc/93/53/68/437935368.db2.gz NWKBFXLAIOSWTJ-UHFFFAOYSA-N 1 3 342.484 0.243 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000341994252 437936010 /nfs/dbraw/zinc/93/60/10/437936010.db2.gz AVEBLFYYYLBCKI-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000341994252 437936015 /nfs/dbraw/zinc/93/60/15/437936015.db2.gz AVEBLFYYYLBCKI-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000341999183 437937413 /nfs/dbraw/zinc/93/74/13/437937413.db2.gz AAZXNTSZSRFMMT-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000341999183 437937420 /nfs/dbraw/zinc/93/74/20/437937420.db2.gz AAZXNTSZSRFMMT-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000417366363 438043609 /nfs/dbraw/zinc/04/36/09/438043609.db2.gz KGSFCFUDNZIQNC-INIZCTEOSA-N 1 3 346.479 0.645 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1([NH3+])CCC1 ZINC000417427313 438049155 /nfs/dbraw/zinc/04/91/55/438049155.db2.gz ITFKLTCGHOEEIT-ZDUSSCGKSA-N 1 3 325.457 0.110 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000416977046 438011643 /nfs/dbraw/zinc/01/16/43/438011643.db2.gz PHEQMXVAMJQXRP-KRWDZBQOSA-N 1 3 325.501 0.701 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000417474381 438053558 /nfs/dbraw/zinc/05/35/58/438053558.db2.gz NIRLWADBAJURNV-INIZCTEOSA-N 1 3 347.463 0.529 20 0 ECADHO C[C@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)N(C)C)n1)[NH+](C)C ZINC000357765663 438064341 /nfs/dbraw/zinc/06/43/41/438064341.db2.gz LLPXJKSDHPBASB-BETUJISGSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)[NH+](C)C)n1)N(C)C ZINC000357765663 438064344 /nfs/dbraw/zinc/06/43/44/438064344.db2.gz LLPXJKSDHPBASB-BETUJISGSA-N 1 3 335.452 0.441 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417757302 438075425 /nfs/dbraw/zinc/07/54/25/438075425.db2.gz TXMPJXBRNIZHRC-OAHLLOKOSA-N 1 3 325.501 0.701 20 0 ECADHO CN(C)CCOc1cnccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000366457398 438077096 /nfs/dbraw/zinc/07/70/96/438077096.db2.gz BITJPZBVYKGRSP-INIZCTEOSA-N 1 3 332.448 0.980 20 0 ECADHO COC[C@]1(CNC(=O)NCCCN2CCCO[C@@H](C)C2)CCC[NH2+]1 ZINC000418113209 438107797 /nfs/dbraw/zinc/10/77/97/438107797.db2.gz JEJWEYMBUXQWPC-DOTOQJQBSA-N 1 3 342.484 0.555 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCOC2CNC2)[C@@H](C)C1 ZINC000349000447 438126005 /nfs/dbraw/zinc/12/60/05/438126005.db2.gz NHRDLQRNPTXRMQ-GOEBONIOSA-N 1 3 327.469 0.618 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CCOC2CNC2)[C@@H](C)C1 ZINC000349000447 438126008 /nfs/dbraw/zinc/12/60/08/438126008.db2.gz NHRDLQRNPTXRMQ-GOEBONIOSA-N 1 3 327.469 0.618 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418377362 438139342 /nfs/dbraw/zinc/13/93/42/438139342.db2.gz ZEOPCJRBMGAUAT-YJBOKZPZSA-N 1 3 334.464 0.778 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418405203 438140261 /nfs/dbraw/zinc/14/02/61/438140261.db2.gz DFHMDFINJBCONK-JKSUJKDBSA-N 1 3 325.501 0.783 20 0 ECADHO [NH3+]C1CCC(NC(=O)NCC(=O)NCCN2CCCCCC2)CC1 ZINC000418402761 438140616 /nfs/dbraw/zinc/14/06/16/438140616.db2.gz OOTQBFUVTLCXCE-UHFFFAOYSA-N 1 3 339.484 0.548 20 0 ECADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000431038959 438141458 /nfs/dbraw/zinc/14/14/58/438141458.db2.gz VEAMPKRYOHSTJY-UHFFFAOYSA-N 1 3 334.464 0.143 20 0 ECADHO CC(C)([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418427692 438142911 /nfs/dbraw/zinc/14/29/11/438142911.db2.gz LKNLSEHUEQMYRA-HOTGVXAUSA-N 1 3 334.464 0.906 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000431928497 438175999 /nfs/dbraw/zinc/17/59/99/438175999.db2.gz VTMAQKAYPPZSAJ-UHFFFAOYSA-N 1 3 341.500 0.618 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000431928497 438176004 /nfs/dbraw/zinc/17/60/04/438176004.db2.gz VTMAQKAYPPZSAJ-UHFFFAOYSA-N 1 3 341.500 0.618 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C1=CCN(C)CC1 ZINC000358285882 438192957 /nfs/dbraw/zinc/19/29/57/438192957.db2.gz AXBPRXHRQXMTHN-ZIAGYGMSSA-N 1 3 334.464 0.520 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C1=CCN(C)CC1 ZINC000358285882 438192959 /nfs/dbraw/zinc/19/29/59/438192959.db2.gz AXBPRXHRQXMTHN-ZIAGYGMSSA-N 1 3 334.464 0.520 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431293233 438155190 /nfs/dbraw/zinc/15/51/90/438155190.db2.gz DSIYRHOBYFSUMM-OAHLLOKOSA-N 1 3 339.484 0.372 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418580682 438162742 /nfs/dbraw/zinc/16/27/42/438162742.db2.gz SYFYBKDANXGKMO-HHXXYDBFSA-N 1 3 346.475 0.921 20 0 ECADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418606476 438165781 /nfs/dbraw/zinc/16/57/81/438165781.db2.gz ZJAKGMZYCIIQQI-LSDHHAIUSA-N 1 3 339.484 0.276 20 0 ECADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418677440 438173906 /nfs/dbraw/zinc/17/39/06/438173906.db2.gz AQOQRZBAOFAFDY-OKZBNKHCSA-N 1 3 346.475 0.888 20 0 ECADHO CN1CCC(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000418846836 438214942 /nfs/dbraw/zinc/21/49/42/438214942.db2.gz ZFPCYIZHHKYPAD-UHFFFAOYSA-N 1 3 332.448 0.574 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000418849269 438216987 /nfs/dbraw/zinc/21/69/87/438216987.db2.gz MJDNEUSXKARLNY-HZPDHXFCSA-N 1 3 332.448 0.129 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418877932 438232178 /nfs/dbraw/zinc/23/21/78/438232178.db2.gz PZKUCMKKBOLWRP-JKSUJKDBSA-N 1 3 332.448 0.144 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[C@@H]1[NH3+] ZINC000418830238 438203912 /nfs/dbraw/zinc/20/39/12/438203912.db2.gz FQHMXVDCTNKCAU-PVAVHDDUSA-N 1 3 346.475 0.471 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)CN(CC)CC)CC1 ZINC000418950081 438262788 /nfs/dbraw/zinc/26/27/88/438262788.db2.gz SGEVLOUJPQWLGM-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000351484951 438268695 /nfs/dbraw/zinc/26/86/95/438268695.db2.gz GZTDNIZZFZJGPV-QGZVFWFLSA-N 1 3 339.480 0.545 20 0 ECADHO C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000351484951 438268696 /nfs/dbraw/zinc/26/86/96/438268696.db2.gz GZTDNIZZFZJGPV-QGZVFWFLSA-N 1 3 339.480 0.545 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418971060 438269098 /nfs/dbraw/zinc/26/90/98/438269098.db2.gz XDRNSLAFYBJFDL-JKSUJKDBSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418985400 438273886 /nfs/dbraw/zinc/27/38/86/438273886.db2.gz MWZSEGVPUBJRNG-BBRMVZONSA-N 1 3 332.448 0.479 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000418990572 438275757 /nfs/dbraw/zinc/27/57/57/438275757.db2.gz CXJREDZLOVCNJL-RDJZCZTQSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419022838 438290688 /nfs/dbraw/zinc/29/06/88/438290688.db2.gz IULHTINRMCQRJO-ZNMIVQPWSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@@]2(O)CCN(C)C2)([NH+](C)C)C1 ZINC000358720922 438291555 /nfs/dbraw/zinc/29/15/55/438291555.db2.gz MSJRDYKRFPSYLB-PVAVHDDUSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000419025370 438292798 /nfs/dbraw/zinc/29/27/98/438292798.db2.gz ZBTNBFWYUYNOHD-AWEZNQCLSA-N 1 3 332.448 0.704 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419024346 438293563 /nfs/dbraw/zinc/29/35/63/438293563.db2.gz KPFUFONFMGGFNJ-PMPSAXMXSA-N 1 3 338.496 0.681 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418922127 438249325 /nfs/dbraw/zinc/24/93/25/438249325.db2.gz DLEBPUYMCRGKDX-ZDUSSCGKSA-N 1 3 332.448 0.753 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419097380 438319512 /nfs/dbraw/zinc/31/95/12/438319512.db2.gz DZVQAJHKLXBJPR-GJZGRUSLSA-N 1 3 326.485 0.857 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419117943 438329684 /nfs/dbraw/zinc/32/96/84/438329684.db2.gz HZPDVKUMTCTJKV-PMPSAXMXSA-N 1 3 336.480 0.435 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351767838 438336270 /nfs/dbraw/zinc/33/62/70/438336270.db2.gz HAVBKVQQMHKKRN-HUUCEWRRSA-N 1 3 342.484 0.060 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000351819740 438346529 /nfs/dbraw/zinc/34/65/29/438346529.db2.gz BGTPBTZCYLVNBQ-CABCVRRESA-N 1 3 335.514 0.604 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419141511 438344951 /nfs/dbraw/zinc/34/49/51/438344951.db2.gz AUTHVUMLSNFHPG-YJBOKZPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419034101 438299265 /nfs/dbraw/zinc/29/92/65/438299265.db2.gz ZIBYWMGLDHQRPZ-UONOGXRCSA-N 1 3 326.485 0.727 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419141505 438345802 /nfs/dbraw/zinc/34/58/02/438345802.db2.gz AUTHVUMLSNFHPG-CRAIPNDOSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000359111864 438357409 /nfs/dbraw/zinc/35/74/09/438357409.db2.gz AGGLDSWXQTXAIT-OLMNPRSZSA-N 1 3 331.460 0.720 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000359111864 438357413 /nfs/dbraw/zinc/35/74/13/438357413.db2.gz AGGLDSWXQTXAIT-OLMNPRSZSA-N 1 3 331.460 0.720 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419692621 438367435 /nfs/dbraw/zinc/36/74/35/438367435.db2.gz GZNPOKHQLHQKIS-QXSJWSMHSA-N 1 3 348.491 0.624 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419704745 438369080 /nfs/dbraw/zinc/36/90/80/438369080.db2.gz YMSMYKNKDZJITJ-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419785358 438370961 /nfs/dbraw/zinc/37/09/61/438370961.db2.gz YRFFZOMQGZLZTL-KDOFPFPSSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419762534 438372522 /nfs/dbraw/zinc/37/25/22/438372522.db2.gz LYRNSCZNSPGTBR-CHWSQXEVSA-N 1 3 328.457 0.064 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419762534 438372526 /nfs/dbraw/zinc/37/25/26/438372526.db2.gz LYRNSCZNSPGTBR-CHWSQXEVSA-N 1 3 328.457 0.064 20 0 ECADHO C[C@H]1[C@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCCN1C ZINC000352082159 438377691 /nfs/dbraw/zinc/37/76/91/438377691.db2.gz IAVJMHHFOQDAOR-GOEBONIOSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@H]1[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCN1C ZINC000352082159 438377695 /nfs/dbraw/zinc/37/76/95/438377695.db2.gz IAVJMHHFOQDAOR-GOEBONIOSA-N 1 3 326.485 0.957 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000352097101 438382207 /nfs/dbraw/zinc/38/22/07/438382207.db2.gz NFABNRPFBFYSQD-GOEBONIOSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000352097101 438382217 /nfs/dbraw/zinc/38/22/17/438382217.db2.gz NFABNRPFBFYSQD-GOEBONIOSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000352097100 438382636 /nfs/dbraw/zinc/38/26/36/438382636.db2.gz NFABNRPFBFYSQD-GDBMZVCRSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000352097100 438382640 /nfs/dbraw/zinc/38/26/40/438382640.db2.gz NFABNRPFBFYSQD-GDBMZVCRSA-N 1 3 326.485 0.714 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420081204 438386805 /nfs/dbraw/zinc/38/68/05/438386805.db2.gz IBKUOJISBJUZGB-GDBMZVCRSA-N 1 3 338.496 0.810 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420081204 438386815 /nfs/dbraw/zinc/38/68/15/438386815.db2.gz IBKUOJISBJUZGB-GDBMZVCRSA-N 1 3 338.496 0.810 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1(C)C ZINC000369106830 438423837 /nfs/dbraw/zinc/42/38/37/438423837.db2.gz MCUAHLHQGSSNOV-MRXNPFEDSA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCCN1C(=O)c2ccccc2C1=O)CCN1CC[NH2+]CC1 ZINC000392463823 438442378 /nfs/dbraw/zinc/44/23/78/438442378.db2.gz NTLRJFOWKAMHKT-UHFFFAOYSA-N 1 3 330.432 0.510 20 0 ECADHO CCN(CCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000359288784 438406296 /nfs/dbraw/zinc/40/62/96/438406296.db2.gz NDPBOYWNQRIMSV-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000359325990 438411969 /nfs/dbraw/zinc/41/19/69/438411969.db2.gz UPEFECFKCCCCCO-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000359325990 438411970 /nfs/dbraw/zinc/41/19/70/438411970.db2.gz UPEFECFKCCCCCO-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)C1CC1 ZINC000359324281 438412210 /nfs/dbraw/zinc/41/22/10/438412210.db2.gz QOTAUXXWXWOJSO-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)C1CC1 ZINC000359324281 438412212 /nfs/dbraw/zinc/41/22/12/438412212.db2.gz QOTAUXXWXWOJSO-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000359653815 438474974 /nfs/dbraw/zinc/47/49/74/438474974.db2.gz QUMOPZNMOGMNHM-INIZCTEOSA-N 1 3 327.517 0.996 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000421527687 438490149 /nfs/dbraw/zinc/49/01/49/438490149.db2.gz ZBPFSBQEFPGXLH-MRXNPFEDSA-N 1 3 338.496 0.683 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000421527687 438490151 /nfs/dbraw/zinc/49/01/51/438490151.db2.gz ZBPFSBQEFPGXLH-MRXNPFEDSA-N 1 3 338.496 0.683 20 0 ECADHO C[NH+](C)CCOCCN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000353594798 438513086 /nfs/dbraw/zinc/51/30/86/438513086.db2.gz HQRBLHCLUMQRPU-INIZCTEOSA-N 1 3 341.477 0.879 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000422083851 438513713 /nfs/dbraw/zinc/51/37/13/438513713.db2.gz JLWXQRVIYGDHAU-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422125440 438524676 /nfs/dbraw/zinc/52/46/76/438524676.db2.gz WEDVJDBLZXZVHO-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)N1CCN(C)CC1 ZINC000353839643 438542866 /nfs/dbraw/zinc/54/28/66/438542866.db2.gz FFPFZKRBAJFBMY-MRXNPFEDSA-N 1 3 339.528 0.107 20 0 ECADHO C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)N1CCN(C)CC1 ZINC000353839643 438542871 /nfs/dbraw/zinc/54/28/71/438542871.db2.gz FFPFZKRBAJFBMY-MRXNPFEDSA-N 1 3 339.528 0.107 20 0 ECADHO C[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)N1CCN(C)CC1 ZINC000353839643 438542875 /nfs/dbraw/zinc/54/28/75/438542875.db2.gz FFPFZKRBAJFBMY-MRXNPFEDSA-N 1 3 339.528 0.107 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000422317466 438551052 /nfs/dbraw/zinc/55/10/52/438551052.db2.gz GAEYWLLHZATTNR-JYJNAYRXSA-N 1 3 338.496 0.917 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000422358314 438558177 /nfs/dbraw/zinc/55/81/77/438558177.db2.gz BTABSWAKMHJAMW-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCN(CC(C)(C)[NH2+]CCC(=O)N2CCN(C)CC2)CC1 ZINC000451987176 438623529 /nfs/dbraw/zinc/62/35/29/438623529.db2.gz NSKDPCARPACGMD-UHFFFAOYSA-N 1 3 339.528 0.156 20 0 ECADHO CCOC(=O)C1([C@H](C)N[C@@H](C)C(=O)N2CCCC2)CC[NH2+]CC1 ZINC000423102141 438637339 /nfs/dbraw/zinc/63/73/39/438637339.db2.gz NYQXEKRKXNRELM-KBPBESRZSA-N 1 3 325.453 0.908 20 0 ECADHO NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443075263 438640151 /nfs/dbraw/zinc/64/01/51/438640151.db2.gz RIMDPTSYYIFULA-QGZVFWFLSA-N 1 3 346.475 0.951 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000423372942 438668470 /nfs/dbraw/zinc/66/84/70/438668470.db2.gz BQQBNCZBFZYQKK-HNNXBMFYSA-N 1 3 338.496 0.905 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423508132 438682130 /nfs/dbraw/zinc/68/21/30/438682130.db2.gz NOJVCTLZCSSWLL-UHFFFAOYSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423527964 438682684 /nfs/dbraw/zinc/68/26/84/438682684.db2.gz SMMZPSSIIPBRDP-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000423554965 438687174 /nfs/dbraw/zinc/68/71/74/438687174.db2.gz FSSGKSYFTFJUMB-CYBMUJFWSA-N 1 3 348.422 0.963 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000423569735 438690090 /nfs/dbraw/zinc/69/00/90/438690090.db2.gz SUYARUKWGSXJLS-HNNXBMFYSA-N 1 3 346.431 0.660 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000423569735 438690094 /nfs/dbraw/zinc/69/00/94/438690094.db2.gz SUYARUKWGSXJLS-HNNXBMFYSA-N 1 3 346.431 0.660 20 0 ECADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C[C@H]1COc2ccccc2O1 ZINC000414675692 438713860 /nfs/dbraw/zinc/71/38/60/438713860.db2.gz GLMOXCNWAFDXHU-CABCVRRESA-N 1 3 333.432 0.956 20 0 ECADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C[C@H]1COc2ccccc2O1 ZINC000414675692 438713862 /nfs/dbraw/zinc/71/38/62/438713862.db2.gz GLMOXCNWAFDXHU-CABCVRRESA-N 1 3 333.432 0.956 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414872596 438718962 /nfs/dbraw/zinc/71/89/62/438718962.db2.gz FVYWXSQUPIDEGK-OAHLLOKOSA-N 1 3 348.447 0.953 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000454592556 438720679 /nfs/dbraw/zinc/72/06/79/438720679.db2.gz RUKBZJUQPBCCSQ-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000454592556 438720684 /nfs/dbraw/zinc/72/06/84/438720684.db2.gz RUKBZJUQPBCCSQ-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000454606163 438723352 /nfs/dbraw/zinc/72/33/52/438723352.db2.gz CNGWKLGOFUSFSX-IXDOHACOSA-N 1 3 337.512 0.606 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000454606163 438723355 /nfs/dbraw/zinc/72/33/55/438723355.db2.gz CNGWKLGOFUSFSX-IXDOHACOSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)N(C)C ZINC000454990694 438735330 /nfs/dbraw/zinc/73/53/30/438735330.db2.gz OAHFXAYGMLLVCQ-AWEZNQCLSA-N 1 3 327.473 0.228 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000575073822 438736419 /nfs/dbraw/zinc/73/64/19/438736419.db2.gz XZLHBMHDSZONBE-DLBZAZTESA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[N@@H+]1C ZINC000558218237 438805075 /nfs/dbraw/zinc/80/50/75/438805075.db2.gz SQPQZMJOWDPCNN-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[N@H+]1C ZINC000558218237 438805077 /nfs/dbraw/zinc/80/50/77/438805077.db2.gz SQPQZMJOWDPCNN-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO CNS(=O)(=O)[C@@H]1CCN(CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000558607512 438815629 /nfs/dbraw/zinc/81/56/29/438815629.db2.gz KOEMCSYQBKDFKM-OAHLLOKOSA-N 1 3 332.514 0.026 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000577165675 438819642 /nfs/dbraw/zinc/81/96/42/438819642.db2.gz YKOXVQFQXFPHOG-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CCN(Cc1ccccn1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000578130612 438899878 /nfs/dbraw/zinc/89/98/78/438899878.db2.gz SSVGLWDQFZAWOG-UHFFFAOYSA-N 1 3 345.451 0.616 20 0 ECADHO COCCCNC(=O)[C@@H](C)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000578196457 438906196 /nfs/dbraw/zinc/90/61/96/438906196.db2.gz IWLINZFHWVSNAD-CVEARBPZSA-N 1 3 326.485 0.145 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000515233277 438857710 /nfs/dbraw/zinc/85/77/10/438857710.db2.gz UHRIXFKVJDNSJW-FPCVCCKLSA-N 1 3 334.464 0.140 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)NCC2CCN(CCO)CC2)C1 ZINC000458379247 438877860 /nfs/dbraw/zinc/87/78/60/438877860.db2.gz NAQBGRRTKXBWKE-MRXNPFEDSA-N 1 3 326.485 0.722 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)NCC2CCN(CCO)CC2)C1 ZINC000458379247 438877863 /nfs/dbraw/zinc/87/78/63/438877863.db2.gz NAQBGRRTKXBWKE-MRXNPFEDSA-N 1 3 326.485 0.722 20 0 ECADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)CN1CCOCC1 ZINC000564852914 438878754 /nfs/dbraw/zinc/87/87/54/438878754.db2.gz UQGMIRUIAQDEOI-FGTMMUONSA-N 1 3 341.496 0.037 20 0 ECADHO CC(C)[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)N1CCN(C)CC1 ZINC000577950772 438882327 /nfs/dbraw/zinc/88/23/27/438882327.db2.gz BOXLHSXIJSRSAB-HOTGVXAUSA-N 1 3 326.485 0.143 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900751 438882806 /nfs/dbraw/zinc/88/28/06/438882806.db2.gz KKJOWRIFVYYYSU-DZGCQCFKSA-N 1 3 340.468 0.559 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000595900926 438882818 /nfs/dbraw/zinc/88/28/18/438882818.db2.gz PFXVVDQLZRAKRH-HOTGVXAUSA-N 1 3 337.464 0.862 20 0 ECADHO CCOC(=O)CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910016 438883949 /nfs/dbraw/zinc/88/39/49/438883949.db2.gz FXPRPYNFNPCZGK-CQSZACIVSA-N 1 3 335.452 0.952 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000458448397 438887492 /nfs/dbraw/zinc/88/74/92/438887492.db2.gz SJEXZHRFIWANSZ-IAGOWNOFSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000458448397 438887497 /nfs/dbraw/zinc/88/74/97/438887497.db2.gz SJEXZHRFIWANSZ-IAGOWNOFSA-N 1 3 339.528 0.994 20 0 ECADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)Cn3cccn3)cc2)CC1 ZINC000578063861 438891697 /nfs/dbraw/zinc/89/16/97/438891697.db2.gz CACDKSYVPOVCET-IBGZPJMESA-N 1 3 343.475 0.781 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000516857175 438930383 /nfs/dbraw/zinc/93/03/83/438930383.db2.gz QEJBMVQLQFEDMX-AEFFLSMTSA-N 1 3 343.475 0.563 20 0 ECADHO CCN1CCC(NC(=O)CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000565047053 438908824 /nfs/dbraw/zinc/90/88/24/438908824.db2.gz MENMNIXRIJZOEM-AEFFLSMTSA-N 1 3 338.496 0.415 20 0 ECADHO C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1)CC[NH2+]CC2 ZINC000517025056 438945519 /nfs/dbraw/zinc/94/55/19/438945519.db2.gz QEJKPADNVPFDCY-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000459288700 438955298 /nfs/dbraw/zinc/95/52/98/438955298.db2.gz GGSVPLJYMIUJOV-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000459288700 438955301 /nfs/dbraw/zinc/95/53/01/438955301.db2.gz GGSVPLJYMIUJOV-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000591024327 438977003 /nfs/dbraw/zinc/97/70/03/438977003.db2.gz HVMDFSSURITORD-IAGOWNOFSA-N 1 3 337.512 0.940 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000591024327 438977010 /nfs/dbraw/zinc/97/70/10/438977010.db2.gz HVMDFSSURITORD-IAGOWNOFSA-N 1 3 337.512 0.940 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(F)(F)CO)CC2)CC1 ZINC000579141751 438985164 /nfs/dbraw/zinc/98/51/64/438985164.db2.gz QCGPNBHADARVPP-UHFFFAOYSA-N 1 3 333.423 0.927 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000565999404 438995182 /nfs/dbraw/zinc/99/51/82/438995182.db2.gz QZFNHLKRYXWFSW-QGZVFWFLSA-N 1 3 331.464 0.465 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000566009187 438995303 /nfs/dbraw/zinc/99/53/03/438995303.db2.gz HIKXEUAONGSIKD-UHFFFAOYSA-N 1 3 343.497 0.339 20 0 ECADHO CN1CCN(C)[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518438167 438997774 /nfs/dbraw/zinc/99/77/74/438997774.db2.gz WJVGUQRUMAOKLF-MSOLQXFVSA-N 1 3 345.491 0.656 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000566068854 439002574 /nfs/dbraw/zinc/00/25/74/439002574.db2.gz HJSSIYULAAQRPU-CABCVRRESA-N 1 3 346.475 0.793 20 0 ECADHO CN1CCC[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1cccs1 ZINC000579936314 439048604 /nfs/dbraw/zinc/04/86/04/439048604.db2.gz CRQAHLGHCPJBAY-FZMZJTMJSA-N 1 3 336.461 0.335 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000459996634 439052578 /nfs/dbraw/zinc/05/25/78/439052578.db2.gz QPXCNKCULDJLEY-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000459996634 439052584 /nfs/dbraw/zinc/05/25/84/439052584.db2.gz QPXCNKCULDJLEY-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000460017177 439057432 /nfs/dbraw/zinc/05/74/32/439057432.db2.gz NCGNANWBQNQTMS-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CCNC3=O)CC2)CC1 ZINC000518792318 439012727 /nfs/dbraw/zinc/01/27/27/439012727.db2.gz FXZSPGYLOFVTBU-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC000566212545 439024791 /nfs/dbraw/zinc/02/47/91/439024791.db2.gz GCAOPGXCDHDISP-RDJZCZTQSA-N 1 3 340.431 0.787 20 0 ECADHO CN1CCC(C[NH2+]C[C@@H](O)Cc2ccccc2)(N2CCOCC2)CC1 ZINC000519545189 439039599 /nfs/dbraw/zinc/03/95/99/439039599.db2.gz WLLVUMSPGLIDGH-IBGZPJMESA-N 1 3 347.503 0.976 20 0 ECADHO CC(C)N1CCC[C@H](CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)C1 ZINC000602469117 439093786 /nfs/dbraw/zinc/09/37/86/439093786.db2.gz AABZEIHZIAHMCD-JLCFBVMHSA-N 1 3 329.510 0.724 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000521212387 439108987 /nfs/dbraw/zinc/10/89/87/439108987.db2.gz UUWBWBDATRCHBE-HNNXBMFYSA-N 1 3 344.415 0.414 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000521212387 439108992 /nfs/dbraw/zinc/10/89/92/439108992.db2.gz UUWBWBDATRCHBE-HNNXBMFYSA-N 1 3 344.415 0.414 20 0 ECADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000566511740 439066749 /nfs/dbraw/zinc/06/67/49/439066749.db2.gz AYPGWKWQWHLFRJ-DLBZAZTESA-N 1 3 344.459 0.240 20 0 ECADHO NC(=O)NC(=O)CC[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000591740891 439080803 /nfs/dbraw/zinc/08/08/03/439080803.db2.gz CVXZPYBLHLZERP-UHFFFAOYSA-N 1 3 334.420 0.318 20 0 ECADHO CCOC(=O)CC[C@@H](O)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000566733460 439085335 /nfs/dbraw/zinc/08/53/35/439085335.db2.gz UFFGTTONALJPQI-GOEBONIOSA-N 1 3 328.453 0.781 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000521640663 439126821 /nfs/dbraw/zinc/12/68/21/439126821.db2.gz ZYIVFPRXDGNILZ-BXUZGUMPSA-N 1 3 343.497 0.562 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)CC1=O ZINC000567286188 439130377 /nfs/dbraw/zinc/13/03/77/439130377.db2.gz DFFQOMMWKUTPGO-KLHDSHLOSA-N 1 3 336.480 0.657 20 0 ECADHO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H](N2CCCCC2)C1 ZINC000580946520 439150583 /nfs/dbraw/zinc/15/05/83/439150583.db2.gz JFHCFBDBZZUUFO-PMPSAXMXSA-N 1 3 334.464 0.426 20 0 ECADHO CCn1ccnc1CN(C(=O)COC1CNC1)[C@H]1CC12CC[NH2+]CC2 ZINC000567906921 439196745 /nfs/dbraw/zinc/19/67/45/439196745.db2.gz IMTKSHPJAODMHW-HNNXBMFYSA-N 1 3 347.463 0.362 20 0 ECADHO NC1(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCCC1 ZINC000567926311 439197764 /nfs/dbraw/zinc/19/77/64/439197764.db2.gz GPNGUXQZWZYBPL-HUUCEWRRSA-N 1 3 349.479 0.395 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000525306515 439206947 /nfs/dbraw/zinc/20/69/47/439206947.db2.gz ISNNHJIJKAQEPC-DLBZAZTESA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000525306515 439206952 /nfs/dbraw/zinc/20/69/52/439206952.db2.gz ISNNHJIJKAQEPC-DLBZAZTESA-N 1 3 339.528 0.899 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCC[NH+](C)C ZINC000489057045 439213318 /nfs/dbraw/zinc/21/33/18/439213318.db2.gz ZOQWOHVIIZFRKQ-UHFFFAOYSA-N 1 3 331.486 0.292 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000581440509 439213847 /nfs/dbraw/zinc/21/38/47/439213847.db2.gz IKXRGUJNHAUCPK-UHFFFAOYSA-N 1 3 346.475 0.883 20 0 ECADHO CC(=O)N1CCC[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000525993840 439232243 /nfs/dbraw/zinc/23/22/43/439232243.db2.gz DQOVBVIENNBQLU-INIZCTEOSA-N 1 3 341.500 0.380 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCn3ccnn3)CC2)CC1 ZINC000568411933 439246068 /nfs/dbraw/zinc/24/60/68/439246068.db2.gz GTDSBFOIIKZNCU-UHFFFAOYSA-N 1 3 348.495 0.981 20 0 ECADHO CC[NH+](CC)CCSCC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592872302 439295116 /nfs/dbraw/zinc/29/51/16/439295116.db2.gz LQTJXMGRBLAXSM-AWEZNQCLSA-N 1 3 344.525 0.640 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)COC2CC[NH2+]CC2)CC1 ZINC000582609997 439359455 /nfs/dbraw/zinc/35/94/55/439359455.db2.gz SLVZDYGJUXNNJC-UHFFFAOYSA-N 1 3 333.436 0.541 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000582606330 439356524 /nfs/dbraw/zinc/35/65/24/439356524.db2.gz OAMSBESKPIFCIA-STQMWFEESA-N 1 3 336.436 0.808 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)NCc3ccc(C[NH3+])cc3)C2)nn1 ZINC000582784617 439380347 /nfs/dbraw/zinc/38/03/47/439380347.db2.gz NMNITJFRTCLLOP-INIZCTEOSA-N 1 3 343.435 0.742 20 0 ECADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529342136 439410489 /nfs/dbraw/zinc/41/04/89/439410489.db2.gz RKZSTSMQXJWAAP-ZIAGYGMSSA-N 1 3 346.422 0.784 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000570550257 439430183 /nfs/dbraw/zinc/43/01/83/439430183.db2.gz ZFBTZJLMTDOCCI-QGZVFWFLSA-N 1 3 346.475 0.391 20 0 ECADHO CN(CCCC[N@H+](C)CC(=O)N1CCCC1)CC(=O)N1CCCC1 ZINC000607150470 439440294 /nfs/dbraw/zinc/44/02/94/439440294.db2.gz BHDTVQBFNPQUDK-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO CN(CCCC[N@@H+](C)CC(=O)N1CCCC1)CC(=O)N1CCCC1 ZINC000607150470 439440298 /nfs/dbraw/zinc/44/02/98/439440298.db2.gz BHDTVQBFNPQUDK-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCN1CCSCC1 ZINC000607244273 439446318 /nfs/dbraw/zinc/44/63/18/439446318.db2.gz RXWOAMXABKLRQQ-UHFFFAOYSA-N 1 3 331.530 0.170 20 0 ECADHO CCO[C@@H]1CN(C(=O)NCC2(SC)CCN(C)CC2)C[C@H]1C[NH3+] ZINC000593712642 439451048 /nfs/dbraw/zinc/45/10/48/439451048.db2.gz XDPSIMMOXUZIGI-ZIAGYGMSSA-N 1 3 344.525 0.819 20 0 ECADHO CC[C@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000583426705 439463394 /nfs/dbraw/zinc/46/33/94/439463394.db2.gz DODKBDOHZNICSL-QGZVFWFLSA-N 1 3 326.485 0.587 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000583430872 439463441 /nfs/dbraw/zinc/46/34/41/439463441.db2.gz YCTOQSKCOJIMCF-ARFHVFGLSA-N 1 3 325.501 0.509 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000571261553 439486773 /nfs/dbraw/zinc/48/67/73/439486773.db2.gz MLZIXDXHTLIWBD-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO COCCN(C)C[C@H](O)CN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000593969546 439503082 /nfs/dbraw/zinc/50/30/82/439503082.db2.gz DLAZNPCPSYKYAF-XHSDSOJGSA-N 1 3 331.526 0.437 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000583984689 439535345 /nfs/dbraw/zinc/53/53/45/439535345.db2.gz BNYSSIUQIYDVKI-TWMKSMIVSA-N 1 3 348.491 0.578 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000584008790 439539264 /nfs/dbraw/zinc/53/92/64/439539264.db2.gz IANFXOQYINUHLD-GDBMZVCRSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000584008790 439539268 /nfs/dbraw/zinc/53/92/68/439539268.db2.gz IANFXOQYINUHLD-GDBMZVCRSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC000572476281 439584869 /nfs/dbraw/zinc/58/48/69/439584869.db2.gz OKTAJDXCSAVIAQ-BBWFWOEESA-N 1 3 342.528 0.072 20 0 ECADHO CN1CCC(O)(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000572594658 439596003 /nfs/dbraw/zinc/59/60/03/439596003.db2.gz LESJHCXGUVYULZ-UHFFFAOYSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000573823802 439669651 /nfs/dbraw/zinc/66/96/51/439669651.db2.gz ZOOXRLPIJYWMSV-CQSZACIVSA-N 1 3 344.459 0.623 20 0 ECADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000573823802 439669654 /nfs/dbraw/zinc/66/96/54/439669654.db2.gz ZOOXRLPIJYWMSV-CQSZACIVSA-N 1 3 344.459 0.623 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000574385864 439702215 /nfs/dbraw/zinc/70/22/15/439702215.db2.gz GOZMSTKKRJVMFZ-FPCVCCKLSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C[C@@H](O)C[N@H+](C)C(C)C)C2)CC1 ZINC000595339124 439706046 /nfs/dbraw/zinc/70/60/46/439706046.db2.gz NUSHODJTXGUHED-ROUUACIJSA-N 1 3 326.529 0.788 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C2)CC1 ZINC000595339124 439706049 /nfs/dbraw/zinc/70/60/49/439706049.db2.gz NUSHODJTXGUHED-ROUUACIJSA-N 1 3 326.529 0.788 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)CCN2C1=O ZINC000595270243 439686451 /nfs/dbraw/zinc/68/64/51/439686451.db2.gz PCDPQJUPYCXEEE-CWRNSKLLSA-N 1 3 349.479 0.347 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CCCCC4)C3)CCN2C1=O ZINC000595270243 439686454 /nfs/dbraw/zinc/68/64/54/439686454.db2.gz PCDPQJUPYCXEEE-CWRNSKLLSA-N 1 3 349.479 0.347 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916075 439746273 /nfs/dbraw/zinc/74/62/73/439746273.db2.gz VCTCOHSHNSUHJX-UONOGXRCSA-N 1 3 349.483 0.303 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000612971085 439747531 /nfs/dbraw/zinc/74/75/31/439747531.db2.gz MNIDKCNCAQDWAM-CVEARBPZSA-N 1 3 335.496 0.550 20 0 ECADHO CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000615277655 439798260 /nfs/dbraw/zinc/79/82/60/439798260.db2.gz XNUKTEBIUQMTAZ-HZPDHXFCSA-N 1 3 335.452 0.380 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)C1 ZINC000662757209 439879590 /nfs/dbraw/zinc/87/95/90/439879590.db2.gz KVHXYACXLPUUAD-ZFWWWQNUSA-N 1 3 348.413 0.767 20 0 ECADHO c1n[nH]cc1CC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000641825564 439925674 /nfs/dbraw/zinc/92/56/74/439925674.db2.gz ZJJIQOUQHVWHFC-OAHLLOKOSA-N 1 3 329.452 0.965 20 0 ECADHO c1n[nH]cc1CC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000641825564 439925677 /nfs/dbraw/zinc/92/56/77/439925677.db2.gz ZJJIQOUQHVWHFC-OAHLLOKOSA-N 1 3 329.452 0.965 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000652700374 439928259 /nfs/dbraw/zinc/92/82/59/439928259.db2.gz QFMNFEMZCWWPGX-KBPBESRZSA-N 1 3 342.484 0.310 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000652700374 439928268 /nfs/dbraw/zinc/92/82/68/439928268.db2.gz QFMNFEMZCWWPGX-KBPBESRZSA-N 1 3 342.484 0.310 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@H]2CCc3ncnn32)C1)[C@H]1CCC[NH2+]1 ZINC000631822402 439933467 /nfs/dbraw/zinc/93/34/67/439933467.db2.gz BJRMWDUNZFSKJU-RRFJBIMHSA-N 1 3 332.452 0.346 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)NC[C@H]2CCCCN2CCO)cn1 ZINC000652631297 439894519 /nfs/dbraw/zinc/89/45/19/439894519.db2.gz INCQTZNKKTWQPI-OAHLLOKOSA-N 1 3 338.456 0.413 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626816342 439895492 /nfs/dbraw/zinc/89/54/92/439895492.db2.gz IXZGVNVMUSOFHS-UHFFFAOYSA-N 1 3 334.420 0.517 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cn1 ZINC000652624651 439896298 /nfs/dbraw/zinc/89/62/98/439896298.db2.gz MFVXMPWOKATCBD-CQSZACIVSA-N 1 3 336.440 0.017 20 0 ECADHO CCO[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1C[NH3+] ZINC000652636963 439897427 /nfs/dbraw/zinc/89/74/27/439897427.db2.gz FKIYONNCUGZQKE-GDBMZVCRSA-N 1 3 348.447 0.509 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](c1cncn1C)N(C)C ZINC000617507419 439898839 /nfs/dbraw/zinc/89/88/39/439898839.db2.gz VZRVNBXIPICSQJ-HOCLYGCPSA-N 1 3 338.500 0.411 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](c1cncn1C)N(C)C ZINC000617507419 439898843 /nfs/dbraw/zinc/89/88/43/439898843.db2.gz VZRVNBXIPICSQJ-HOCLYGCPSA-N 1 3 338.500 0.411 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc2c1CC(=O)N2 ZINC000617503408 439898912 /nfs/dbraw/zinc/89/89/12/439898912.db2.gz HTDQOFIRVFYASI-LBPRGKRZSA-N 1 3 333.436 0.578 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc2c1CC(=O)N2 ZINC000617503408 439898914 /nfs/dbraw/zinc/89/89/14/439898914.db2.gz HTDQOFIRVFYASI-LBPRGKRZSA-N 1 3 333.436 0.578 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc2c1nnn2C ZINC000617507585 439899910 /nfs/dbraw/zinc/89/99/10/439899910.db2.gz BAVABLKTONYXJY-LBPRGKRZSA-N 1 3 333.440 0.365 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc2c1nnn2C ZINC000617507585 439899915 /nfs/dbraw/zinc/89/99/15/439899915.db2.gz BAVABLKTONYXJY-LBPRGKRZSA-N 1 3 333.440 0.365 20 0 ECADHO COCC1(CNC(=O)N2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000641753152 439911495 /nfs/dbraw/zinc/91/14/95/439911495.db2.gz WDMXALQYGYLCFV-UHFFFAOYSA-N 1 3 347.463 0.929 20 0 ECADHO CN(C)CCCS(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000631765416 439915963 /nfs/dbraw/zinc/91/59/63/439915963.db2.gz HTRDLLBDKRLSTA-UHFFFAOYSA-N 1 3 343.493 0.998 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642330462 439971385 /nfs/dbraw/zinc/97/13/85/439971385.db2.gz LOXCVAYEBUTOGJ-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642330463 439971734 /nfs/dbraw/zinc/97/17/34/439971734.db2.gz LOXCVAYEBUTOGJ-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000631912692 439971730 /nfs/dbraw/zinc/97/17/30/439971730.db2.gz SXAHCELSXKJQLN-KGLIPLIRSA-N 1 3 332.514 0.625 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642329793 439974220 /nfs/dbraw/zinc/97/42/20/439974220.db2.gz SWSRDJAASQFWCM-FXUDXRNXSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000642471648 439983012 /nfs/dbraw/zinc/98/30/12/439983012.db2.gz VJXFGZGQJLHHHN-HOCLYGCPSA-N 1 3 346.475 0.867 20 0 ECADHO Cc1cc(C)cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000658536222 439984987 /nfs/dbraw/zinc/98/49/87/439984987.db2.gz NFXVLAJUQXUHEY-UHFFFAOYSA-N 1 3 348.491 0.871 20 0 ECADHO CN1C[C@@H]2CCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000646937885 439939178 /nfs/dbraw/zinc/93/91/78/439939178.db2.gz VDXRZKCSFDUJTI-SCTDSRPQSA-N 1 3 329.444 0.786 20 0 ECADHO CN1C[C@@H]2CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000646937885 439939182 /nfs/dbraw/zinc/93/91/82/439939182.db2.gz VDXRZKCSFDUJTI-SCTDSRPQSA-N 1 3 329.444 0.786 20 0 ECADHO C[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)N1CCc2ccccc2C1 ZINC000636587857 439947769 /nfs/dbraw/zinc/94/77/69/439947769.db2.gz NQXOENJKMUEZCT-CRAIPNDOSA-N 1 3 346.475 0.799 20 0 ECADHO C[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)N1CCc2ccccc2C1 ZINC000636587857 439947775 /nfs/dbraw/zinc/94/77/75/439947775.db2.gz NQXOENJKMUEZCT-CRAIPNDOSA-N 1 3 346.475 0.799 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725850 439948116 /nfs/dbraw/zinc/94/81/16/439948116.db2.gz VPEPOEDLJQLKEZ-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662943313 439961176 /nfs/dbraw/zinc/96/11/76/439961176.db2.gz WPEHDBIUVAKWDF-UHFFFAOYSA-N 1 3 336.480 0.755 20 0 ECADHO O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017686 439992697 /nfs/dbraw/zinc/99/26/97/439992697.db2.gz QTFLMQPDSYWLIM-HUUCEWRRSA-N 1 3 346.479 0.525 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1CCCN(CC2CC2)C1 ZINC000631953786 440008487 /nfs/dbraw/zinc/00/84/87/440008487.db2.gz SCXJROUKJVUTFG-OAHLLOKOSA-N 1 3 344.525 0.627 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000631954863 440010021 /nfs/dbraw/zinc/01/00/21/440010021.db2.gz YRQOIWHBRLJODP-MNOVXSKESA-N 1 3 331.404 0.727 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000642783363 440034923 /nfs/dbraw/zinc/03/49/23/440034923.db2.gz VKPSMGGMNNNKQG-LZWOXQAQSA-N 1 3 332.448 0.619 20 0 ECADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015762 439988187 /nfs/dbraw/zinc/98/81/87/439988187.db2.gz YIWGUFMCIQQVJG-ZQIUZPCESA-N 1 3 348.495 0.899 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918918 440062414 /nfs/dbraw/zinc/06/24/14/440062414.db2.gz HPGDABBEOSDZOW-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642953199 440069438 /nfs/dbraw/zinc/06/94/38/440069438.db2.gz CFEIIQXZGROMQA-HOCLYGCPSA-N 1 3 332.448 0.573 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653118493 440072391 /nfs/dbraw/zinc/07/23/91/440072391.db2.gz NICKUYIISABDMD-GUYCJALGSA-N 1 3 325.453 0.228 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000636869470 440073092 /nfs/dbraw/zinc/07/30/92/440073092.db2.gz MSOUCTGPSAHISW-JKIFEVAISA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000636869470 440073096 /nfs/dbraw/zinc/07/30/96/440073096.db2.gz MSOUCTGPSAHISW-JKIFEVAISA-N 1 3 348.491 0.861 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C)CC2 ZINC000642989109 440077296 /nfs/dbraw/zinc/07/72/96/440077296.db2.gz SOFADOLOIZNRMH-FZKCQIBNSA-N 1 3 336.480 0.717 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000642785885 440039351 /nfs/dbraw/zinc/03/93/51/440039351.db2.gz OUAVSXNOMRRLGT-SJORKVTESA-N 1 3 348.491 0.578 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636796982 440041284 /nfs/dbraw/zinc/04/12/84/440041284.db2.gz YCDNSVPNWQCPHW-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636796982 440041289 /nfs/dbraw/zinc/04/12/89/440041289.db2.gz YCDNSVPNWQCPHW-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C[C@H]3CSCCN3)C2)C1 ZINC000653183791 440090967 /nfs/dbraw/zinc/09/09/67/440090967.db2.gz JQAMJDLJSOTLIA-XGUBFFRZSA-N 1 3 327.494 0.826 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C(=O)NCCN(C)C ZINC000627201482 440043842 /nfs/dbraw/zinc/04/38/42/440043842.db2.gz IGRGGNUEKMTFQF-ILXRZTDVSA-N 1 3 341.500 0.519 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627206865 440046552 /nfs/dbraw/zinc/04/65/52/440046552.db2.gz MWABHUNANMQVLG-CABCVRRESA-N 1 3 325.501 0.842 20 0 ECADHO C[C@H]1C[C@@H](NS(=O)(=O)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000632029776 440048152 /nfs/dbraw/zinc/04/81/52/440048152.db2.gz JIOMWRJVYXPRBB-GJZGRUSLSA-N 1 3 332.514 0.026 20 0 ECADHO C[C@H]1C[C@@H](NS(=O)(=O)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC000632029776 440048155 /nfs/dbraw/zinc/04/81/55/440048155.db2.gz JIOMWRJVYXPRBB-GJZGRUSLSA-N 1 3 332.514 0.026 20 0 ECADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000642900409 440051953 /nfs/dbraw/zinc/05/19/53/440051953.db2.gz WXKZGQFWSQPQOA-FCLJQHQZSA-N 1 3 348.491 0.863 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000642894365 440053906 /nfs/dbraw/zinc/05/39/06/440053906.db2.gz UQICDVSLLCAGNX-KRWDZBQOSA-N 1 3 344.459 0.588 20 0 ECADHO [NH3+]C1CCC(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000642907305 440057374 /nfs/dbraw/zinc/05/73/74/440057374.db2.gz VOHJSICFHRSIHG-GPANFISMSA-N 1 3 336.480 0.849 20 0 ECADHO CCN1CCC(n2nccc2NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663610115 440118550 /nfs/dbraw/zinc/11/85/50/440118550.db2.gz BWMNZHCIFSVVGF-KRWDZBQOSA-N 1 3 348.451 0.347 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000627325134 440123340 /nfs/dbraw/zinc/12/33/40/440123340.db2.gz ZHIPWJPBMOCZDB-HNNXBMFYSA-N 1 3 326.485 0.810 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CCN1CCCCC1)C[NH+]1CCCC1 ZINC000653376632 440140781 /nfs/dbraw/zinc/14/07/81/440140781.db2.gz GXAIEVYCBQNKRH-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CCCCC1 ZINC000627291119 440099732 /nfs/dbraw/zinc/09/97/32/440099732.db2.gz LBHVBPLWARLDTD-CQSZACIVSA-N 1 3 336.480 0.768 20 0 ECADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627303628 440108951 /nfs/dbraw/zinc/10/89/51/440108951.db2.gz XSMSCELRYTYVSF-IAGOWNOFSA-N 1 3 344.459 0.493 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CN1C1CC1 ZINC000653426300 440166861 /nfs/dbraw/zinc/16/68/61/440166861.db2.gz NYRPDJGIDNLBHW-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@@H]1O ZINC000663764984 440169895 /nfs/dbraw/zinc/16/98/95/440169895.db2.gz UMNFFDHPCIJTFX-ULQDDVLXSA-N 1 3 334.464 0.476 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643516666 440195339 /nfs/dbraw/zinc/19/53/39/440195339.db2.gz HPBWXDBJKNFVMV-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC000643591600 440214147 /nfs/dbraw/zinc/21/41/47/440214147.db2.gz SBCKMLHTMPVYNO-RVKKMQEKSA-N 1 3 334.464 0.284 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000643593614 440217506 /nfs/dbraw/zinc/21/75/06/440217506.db2.gz AIHKUJDHNMIERO-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643592850 440218082 /nfs/dbraw/zinc/21/80/82/440218082.db2.gz TYIMTMDQSQXXOV-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@@H](O)C(F)(F)F ZINC000637265900 440220742 /nfs/dbraw/zinc/22/07/42/440220742.db2.gz SSCJGFYZVKLCGV-SDDRHHMPSA-N 1 3 342.406 0.869 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@@H](O)C(F)(F)F ZINC000637265900 440220751 /nfs/dbraw/zinc/22/07/51/440220751.db2.gz SSCJGFYZVKLCGV-SDDRHHMPSA-N 1 3 342.406 0.869 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C[NH2+]1 ZINC000627476117 440230028 /nfs/dbraw/zinc/23/00/28/440230028.db2.gz BCLZBXVFALQYDI-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659080173 440231154 /nfs/dbraw/zinc/23/11/54/440231154.db2.gz QIAOTXBQAPCFTL-INIZCTEOSA-N 1 3 348.447 0.744 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627477921 440231957 /nfs/dbraw/zinc/23/19/57/440231957.db2.gz DTCMOOIXYYYZPZ-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000627440590 440205327 /nfs/dbraw/zinc/20/53/27/440205327.db2.gz OJQBUFTWWREEBA-HZPDHXFCSA-N 1 3 348.491 0.864 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+](C)C ZINC000659094641 440241806 /nfs/dbraw/zinc/24/18/06/440241806.db2.gz ORWJZDRBAXWVDA-BBRMVZONSA-N 1 3 348.447 0.742 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000627499943 440242397 /nfs/dbraw/zinc/24/23/97/440242397.db2.gz HDTLFYNGTJLUJJ-DOTOQJQBSA-N 1 3 346.475 0.752 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659101652 440250664 /nfs/dbraw/zinc/25/06/64/440250664.db2.gz FXLZKRGQFVDBPW-UHFFFAOYSA-N 1 3 346.431 0.515 20 0 ECADHO Cc1nc(N[C@@H](C)C[N@H+](C)CCCN(C)C)sc1S(N)(=O)=O ZINC000664197038 440258513 /nfs/dbraw/zinc/25/85/13/440258513.db2.gz YEASZPKTWRQQGN-JTQLQIEISA-N 1 3 349.526 0.783 20 0 ECADHO Cc1nc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc1S(N)(=O)=O ZINC000664197038 440258517 /nfs/dbraw/zinc/25/85/17/440258517.db2.gz YEASZPKTWRQQGN-JTQLQIEISA-N 1 3 349.526 0.783 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000659113682 440259896 /nfs/dbraw/zinc/25/98/96/440259896.db2.gz XTMURYCQKBPGEN-CYBMUJFWSA-N 1 3 336.436 0.598 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)C3(N)Cc4ccccc4C3)C[C@H]2[NH3+])cn1 ZINC000648180654 440256233 /nfs/dbraw/zinc/25/62/33/440256233.db2.gz LFDFRFGVGUNEFD-JKSUJKDBSA-N 1 3 325.416 0.170 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCN(C)C1=O ZINC000664313564 440286842 /nfs/dbraw/zinc/28/68/42/440286842.db2.gz QEVWZAXWSIZARX-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCN(C)C1=O ZINC000664313564 440286845 /nfs/dbraw/zinc/28/68/45/440286845.db2.gz QEVWZAXWSIZARX-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(C)(C)C[NH+](C)C ZINC000664369542 440298268 /nfs/dbraw/zinc/29/82/68/440298268.db2.gz SWFFKDPVNVQREQ-AWEZNQCLSA-N 1 3 343.516 0.624 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654373788 440304927 /nfs/dbraw/zinc/30/49/27/440304927.db2.gz BLOMGJQDRSWAFZ-WCXIOVBPSA-N 1 3 338.496 0.815 20 0 ECADHO [NH3+]CC12CC(C1)CN2C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000659479507 440339193 /nfs/dbraw/zinc/33/91/93/440339193.db2.gz KRLYACNAQKAPKD-KGYZHSKHSA-N 1 3 344.459 0.886 20 0 ECADHO CCO[C@H]1COCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664659997 440351159 /nfs/dbraw/zinc/35/11/59/440351159.db2.gz XZRCFKDWEXZSTP-JYJNAYRXSA-N 1 3 344.500 0.752 20 0 ECADHO CCO[C@H]1COCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664659997 440351165 /nfs/dbraw/zinc/35/11/65/440351165.db2.gz XZRCFKDWEXZSTP-JYJNAYRXSA-N 1 3 344.500 0.752 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659523425 440352226 /nfs/dbraw/zinc/35/22/26/440352226.db2.gz LLFJZWFHSBNKPJ-JTQLQIEISA-N 1 3 330.392 0.660 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000659525103 440354110 /nfs/dbraw/zinc/35/41/10/440354110.db2.gz WCCMNCGSIYFCOY-UONOGXRCSA-N 1 3 327.473 0.165 20 0 ECADHO [NH3+]C[C@@H](NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC1 ZINC000659519382 440354275 /nfs/dbraw/zinc/35/42/75/440354275.db2.gz QUAMOOJPUIHOCO-IAGOWNOFSA-N 1 3 332.448 0.790 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000659530169 440355520 /nfs/dbraw/zinc/35/55/20/440355520.db2.gz PQZLWHQULCVUDI-MRXNPFEDSA-N 1 3 327.473 0.038 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCn2ccnc2C1 ZINC000664714204 440361314 /nfs/dbraw/zinc/36/13/14/440361314.db2.gz RPHIVCKXNUIGLY-GJZGRUSLSA-N 1 3 336.484 0.769 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCn2ccnc2C1 ZINC000664714204 440361319 /nfs/dbraw/zinc/36/13/19/440361319.db2.gz RPHIVCKXNUIGLY-GJZGRUSLSA-N 1 3 336.484 0.769 20 0 ECADHO C[C@H](CCN1CC[C@H](C(=O)N(C)C)C1)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000664780212 440372798 /nfs/dbraw/zinc/37/27/98/440372798.db2.gz NSSKYURXWRACRS-OWCLPIDISA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CCN1CC[C@H](C(=O)N(C)C)C1)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000664780212 440372807 /nfs/dbraw/zinc/37/28/07/440372807.db2.gz NSSKYURXWRACRS-OWCLPIDISA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CC[N@@H+]1CC[C@H](C(=O)N(C)C)C1)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000664780212 440372816 /nfs/dbraw/zinc/37/28/16/440372816.db2.gz NSSKYURXWRACRS-OWCLPIDISA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CC[N@H+]1CC[C@H](C(=O)N(C)C)C1)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000664780212 440372819 /nfs/dbraw/zinc/37/28/19/440372819.db2.gz NSSKYURXWRACRS-OWCLPIDISA-N 1 3 338.496 0.585 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659449047 440326958 /nfs/dbraw/zinc/32/69/58/440326958.db2.gz PAPXUIUTTGTDEG-INIZCTEOSA-N 1 3 326.485 0.986 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659452620 440327512 /nfs/dbraw/zinc/32/75/12/440327512.db2.gz NKDXNOUEFOJVKH-TXEJJXNPSA-N 1 3 336.440 0.703 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659452620 440327517 /nfs/dbraw/zinc/32/75/17/440327517.db2.gz NKDXNOUEFOJVKH-TXEJJXNPSA-N 1 3 336.440 0.703 20 0 ECADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659452624 440327776 /nfs/dbraw/zinc/32/77/76/440327776.db2.gz NKDXNOUEFOJVKH-VXGBXAGGSA-N 1 3 336.440 0.703 20 0 ECADHO CCN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CCN(C)C1 ZINC000664537352 440328378 /nfs/dbraw/zinc/32/83/78/440328378.db2.gz LJWVLDVMEWDNMS-MRXNPFEDSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H](CN1CC[C@@H](C(=O)N(C)C)C1)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000664779866 440372983 /nfs/dbraw/zinc/37/29/83/440372983.db2.gz JWKQWBZIYAOAEN-PHZGNYQRSA-N 1 3 338.496 0.443 20 0 ECADHO C[C@H](CN1CC[C@@H](C(=O)N(C)C)C1)C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000664779866 440372987 /nfs/dbraw/zinc/37/29/87/440372987.db2.gz JWKQWBZIYAOAEN-PHZGNYQRSA-N 1 3 338.496 0.443 20 0 ECADHO C[C@@H](CN1CC[C@H](C(=O)N(C)C)C1)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000664779866 440372991 /nfs/dbraw/zinc/37/29/91/440372991.db2.gz JWKQWBZIYAOAEN-PHZGNYQRSA-N 1 3 338.496 0.443 20 0 ECADHO C[C@@H](CN1CC[C@H](C(=O)N(C)C)C1)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000664779866 440372995 /nfs/dbraw/zinc/37/29/95/440372995.db2.gz JWKQWBZIYAOAEN-PHZGNYQRSA-N 1 3 338.496 0.443 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000665121596 440425575 /nfs/dbraw/zinc/42/55/75/440425575.db2.gz YFCHDOVYOLWGCE-OAHLLOKOSA-N 1 3 341.500 0.380 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000665121596 440425577 /nfs/dbraw/zinc/42/55/77/440425577.db2.gz YFCHDOVYOLWGCE-OAHLLOKOSA-N 1 3 341.500 0.380 20 0 ECADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000649271452 440427155 /nfs/dbraw/zinc/42/71/55/440427155.db2.gz IAFXJBKQUFIWDZ-SFHVURJKSA-N 1 3 345.491 0.657 20 0 ECADHO CN1CCN(CC2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659614523 440375187 /nfs/dbraw/zinc/37/51/87/440375187.db2.gz LITZJHPYMQJOFD-UHFFFAOYSA-N 1 3 335.496 0.407 20 0 ECADHO C[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@H]1N1CCN(C)CC1 ZINC000659616114 440376396 /nfs/dbraw/zinc/37/63/96/440376396.db2.gz RGBAHNGQOIDUDW-JBCIKUTRSA-N 1 3 335.496 0.406 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659626954 440379325 /nfs/dbraw/zinc/37/93/25/440379325.db2.gz OMANESAMFGHYFU-ZIAGYGMSSA-N 1 3 343.447 0.058 20 0 ECADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630246 440382736 /nfs/dbraw/zinc/38/27/36/440382736.db2.gz MNWDMWDZRHXDDG-DGCLKSJQSA-N 1 3 334.424 0.409 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000659631209 440383916 /nfs/dbraw/zinc/38/39/16/440383916.db2.gz BPSMCYXNIIFODB-LBPRGKRZSA-N 1 3 334.424 0.268 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000659632842 440386989 /nfs/dbraw/zinc/38/69/89/440386989.db2.gz JDEAZAIVONUPST-UHFFFAOYSA-N 1 3 348.451 0.658 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659675601 440409663 /nfs/dbraw/zinc/40/96/63/440409663.db2.gz RWPQSPQQDJMFLU-KGLIPLIRSA-N 1 3 326.485 0.727 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633027083 440411615 /nfs/dbraw/zinc/41/16/15/440411615.db2.gz BIWAUGSABLHJAA-STQMWFEESA-N 1 3 332.404 0.268 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])N(C)Cc1ccccc1 ZINC000659679007 440413986 /nfs/dbraw/zinc/41/39/86/440413986.db2.gz QTLUOTHWTRCSAI-AWEZNQCLSA-N 1 3 334.464 0.819 20 0 ECADHO C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638140911 440463437 /nfs/dbraw/zinc/46/34/37/440463437.db2.gz PPIBNFQATMXWAL-AEFFLSMTSA-N 1 3 347.507 0.198 20 0 ECADHO C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638140911 440463443 /nfs/dbraw/zinc/46/34/43/440463443.db2.gz PPIBNFQATMXWAL-AEFFLSMTSA-N 1 3 347.507 0.198 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659727172 440465458 /nfs/dbraw/zinc/46/54/58/440465458.db2.gz HUUQRYXBLIAFGC-YJNKXOJESA-N 1 3 336.480 0.480 20 0 ECADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638149670 440467654 /nfs/dbraw/zinc/46/76/54/440467654.db2.gz SONPWSACKFYMGG-OWCLPIDISA-N 1 3 338.496 0.857 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CCCC1 ZINC000659733455 440468950 /nfs/dbraw/zinc/46/89/50/440468950.db2.gz FDEMBYGUIZOCMK-HNNXBMFYSA-N 1 3 336.480 0.851 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CCCC1 ZINC000659734743 440471332 /nfs/dbraw/zinc/47/13/32/440471332.db2.gz ORGRHPRCEOTUTI-CQSZACIVSA-N 1 3 336.480 0.897 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737141 440473383 /nfs/dbraw/zinc/47/33/83/440473383.db2.gz ROPUAWCGQGKJBN-RRFJBIMHSA-N 1 3 336.480 0.705 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000659738529 440476017 /nfs/dbraw/zinc/47/60/17/440476017.db2.gz FJPUZALOYXIZEY-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659699015 440430931 /nfs/dbraw/zinc/43/09/31/440430931.db2.gz NITCQBRPEICQPB-KSTDHSDQSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659699015 440430936 /nfs/dbraw/zinc/43/09/36/440430936.db2.gz NITCQBRPEICQPB-KSTDHSDQSA-N 1 3 336.480 0.564 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)o1 ZINC000633082186 440431873 /nfs/dbraw/zinc/43/18/73/440431873.db2.gz LQAGDJYSGJGVPI-KBPBESRZSA-N 1 3 334.420 0.051 20 0 ECADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000633084892 440434365 /nfs/dbraw/zinc/43/43/65/440434365.db2.gz MJCRUPIDTYYWPX-CVEARBPZSA-N 1 3 336.480 0.803 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CCO)COC)CC2)CC1 ZINC000654917668 440435041 /nfs/dbraw/zinc/43/50/41/440435041.db2.gz STXWDZARZCPQMG-MRXNPFEDSA-N 1 3 341.496 0.696 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000638098903 440437684 /nfs/dbraw/zinc/43/76/84/440437684.db2.gz QKOQCEPMKVKBRU-HNNXBMFYSA-N 1 3 326.485 0.763 20 0 ECADHO C[NH+](C)Cc1cccc(CNC(=O)CN2CCCC[C@H](N)C2=O)c1 ZINC000649285826 440437997 /nfs/dbraw/zinc/43/79/97/440437997.db2.gz XIDRBRNBKWPPSW-INIZCTEOSA-N 1 3 332.448 0.704 20 0 ECADHO C[C@H](CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N(C)C1CC1 ZINC000638103020 440439112 /nfs/dbraw/zinc/43/91/12/440439112.db2.gz YMCRUQOJRJIWAQ-KOLCDFICSA-N 1 3 342.394 0.963 20 0 ECADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1CNCCC1(F)F ZINC000644082781 440440340 /nfs/dbraw/zinc/44/03/40/440440340.db2.gz LHYGVZRVDBCXKU-GFCCVEGCSA-N 1 3 325.363 0.675 20 0 ECADHO O=C(NCC1CC[NH2+]CC1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659710674 440444204 /nfs/dbraw/zinc/44/42/04/440444204.db2.gz UJTFHDKMVFRJJN-HNNXBMFYSA-N 1 3 336.480 0.625 20 0 ECADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2(N3CCCCC3)CCOCC2)C1 ZINC000638118533 440449137 /nfs/dbraw/zinc/44/91/37/440449137.db2.gz ZYVGADDXSRKGQT-WBVHZDCISA-N 1 3 339.480 0.905 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638137836 440459072 /nfs/dbraw/zinc/45/90/72/440459072.db2.gz PAUPRYJIRWQZJR-DOTOQJQBSA-N 1 3 326.485 0.132 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(C)([NH3+])CC2)CC1=O ZINC000649357885 440484864 /nfs/dbraw/zinc/48/48/64/440484864.db2.gz SYALQMKSLUASJH-LSDHHAIUSA-N 1 3 336.480 0.659 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000659855821 440517094 /nfs/dbraw/zinc/51/70/94/440517094.db2.gz MHLMKIRKMUBSHI-OAGGEKHMSA-N 1 3 329.485 0.551 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000659855821 440517101 /nfs/dbraw/zinc/51/71/01/440517101.db2.gz MHLMKIRKMUBSHI-OAGGEKHMSA-N 1 3 329.485 0.551 20 0 ECADHO CCN(Cc1cn(C)nn1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760875 440525190 /nfs/dbraw/zinc/52/51/90/440525190.db2.gz QTXAHTGSYJQYBG-AWEZNQCLSA-N 1 3 339.488 0.619 20 0 ECADHO CCN(Cc1cn(C)nn1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760875 440525195 /nfs/dbraw/zinc/52/51/95/440525195.db2.gz QTXAHTGSYJQYBG-AWEZNQCLSA-N 1 3 339.488 0.619 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000665763895 440528471 /nfs/dbraw/zinc/52/84/71/440528471.db2.gz OEHQAXMNKGDDPH-KKUMJFAQSA-N 1 3 328.501 0.917 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000665763895 440528473 /nfs/dbraw/zinc/52/84/73/440528473.db2.gz OEHQAXMNKGDDPH-KKUMJFAQSA-N 1 3 328.501 0.917 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000665764104 440529677 /nfs/dbraw/zinc/52/96/77/440529677.db2.gz UXHDALJAIMFJCS-LSDHHAIUSA-N 1 3 341.500 0.378 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000665764104 440529683 /nfs/dbraw/zinc/52/96/83/440529683.db2.gz UXHDALJAIMFJCS-LSDHHAIUSA-N 1 3 341.500 0.378 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)CC1 ZINC000649350157 440481430 /nfs/dbraw/zinc/48/14/30/440481430.db2.gz KKMJGLRYZHAPGX-MJGOQNOKSA-N 1 3 328.460 0.802 20 0 ECADHO CO[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)[C@@H]1CCOC1 ZINC000660057030 440586694 /nfs/dbraw/zinc/58/66/94/440586694.db2.gz SLNMQBBJXKSYRB-HZPDHXFCSA-N 1 3 327.469 0.428 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000660335869 440635397 /nfs/dbraw/zinc/63/53/97/440635397.db2.gz FRFHEVQFXIQODP-MRXNPFEDSA-N 1 3 325.501 0.798 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000660335869 440635402 /nfs/dbraw/zinc/63/54/02/440635402.db2.gz FRFHEVQFXIQODP-MRXNPFEDSA-N 1 3 325.501 0.798 20 0 ECADHO CN1CCN(C[C@@H](O)CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000644582332 440648468 /nfs/dbraw/zinc/64/84/68/440648468.db2.gz DBSTYPQFBOBMDH-IBGZPJMESA-N 1 3 338.540 0.981 20 0 ECADHO CC(C)[NH+](CCNC(=O)N1CCN(CCN(C)C)C(=O)C1)C(C)C ZINC000650556343 440653987 /nfs/dbraw/zinc/65/39/87/440653987.db2.gz IWFFEABYLLFYLL-UHFFFAOYSA-N 1 3 341.500 0.521 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000639004459 440662196 /nfs/dbraw/zinc/66/21/96/440662196.db2.gz IQGSBOTZUANWML-DLBZAZTESA-N 1 3 344.459 0.554 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)CC1=O ZINC000639024892 440667035 /nfs/dbraw/zinc/66/70/35/440667035.db2.gz QWBUCWARHPWXRQ-GDBMZVCRSA-N 1 3 344.459 0.561 20 0 ECADHO CCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660585600 440684746 /nfs/dbraw/zinc/68/47/46/440684746.db2.gz RVPSNBBZDWLSSV-LSDHHAIUSA-N 1 3 339.484 0.357 20 0 ECADHO CCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660585600 440684748 /nfs/dbraw/zinc/68/47/48/440684748.db2.gz RVPSNBBZDWLSSV-LSDHHAIUSA-N 1 3 339.484 0.357 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634703736 440690489 /nfs/dbraw/zinc/69/04/89/440690489.db2.gz AIFZHJRBOCRIGR-WMZOPIPTSA-N 1 3 341.496 0.431 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CCCC1 ZINC000656023397 440694312 /nfs/dbraw/zinc/69/43/12/440694312.db2.gz ANYIALGJTZBNTD-PMPSAXMXSA-N 1 3 336.480 0.753 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000656028528 440700993 /nfs/dbraw/zinc/70/09/93/440700993.db2.gz MAIWIQKOMMESKF-KLHDSHLOSA-N 1 3 334.464 0.330 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CN(C)C[C@@H]32)CC1=O ZINC000644824773 440699070 /nfs/dbraw/zinc/69/90/70/440699070.db2.gz ZQQLAGWYVUBEAA-HZMVEIRTSA-N 1 3 348.491 0.482 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CN(C)C[C@@H]32)CC1=O ZINC000644824773 440699072 /nfs/dbraw/zinc/69/90/72/440699072.db2.gz ZQQLAGWYVUBEAA-HZMVEIRTSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1=O ZINC000634768300 440706222 /nfs/dbraw/zinc/70/62/22/440706222.db2.gz DSVFQKMTVJULGC-RCJHGTSTSA-N 1 3 348.491 0.578 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656302445 440755584 /nfs/dbraw/zinc/75/55/84/440755584.db2.gz JHOQWJVUUKYUMY-ARFHVFGLSA-N 1 3 338.496 0.966 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660741196 440720901 /nfs/dbraw/zinc/72/09/01/440720901.db2.gz YPIAQXVDFXDYFT-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660741196 440720908 /nfs/dbraw/zinc/72/09/08/440720908.db2.gz YPIAQXVDFXDYFT-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629583399 440738580 /nfs/dbraw/zinc/73/85/80/440738580.db2.gz BDLFLEFLRAKWED-ZCNNSNEGSA-N 1 3 347.503 0.916 20 0 ECADHO OCCOC1(CNC[C@H](O)C[NH+]2CCCC2)CCC(F)(F)CC1 ZINC000629590762 440742784 /nfs/dbraw/zinc/74/27/84/440742784.db2.gz MGUZWJIMIFUXIH-AWEZNQCLSA-N 1 3 336.423 0.990 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645262947 440772650 /nfs/dbraw/zinc/77/26/50/440772650.db2.gz FZKMIGJLZUFYAC-AWEZNQCLSA-N 1 3 327.473 0.480 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645262947 440772655 /nfs/dbraw/zinc/77/26/55/440772655.db2.gz FZKMIGJLZUFYAC-AWEZNQCLSA-N 1 3 327.473 0.480 20 0 ECADHO O[C@@H]1C[C@H]2CN(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CCN2C1 ZINC000639749542 440783584 /nfs/dbraw/zinc/78/35/84/440783584.db2.gz NGNSTVUCICLRCB-OTWHNJEPSA-N 1 3 331.460 0.374 20 0 ECADHO O[C@@H]1C[C@H]2CN(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CCN2C1 ZINC000639749542 440783588 /nfs/dbraw/zinc/78/35/88/440783588.db2.gz NGNSTVUCICLRCB-OTWHNJEPSA-N 1 3 331.460 0.374 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645360788 440791010 /nfs/dbraw/zinc/79/10/10/440791010.db2.gz DXZMYYIKMBPSFG-ZBFHGGJFSA-N 1 3 336.480 0.975 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000651438983 440829972 /nfs/dbraw/zinc/82/99/72/440829972.db2.gz CWVCCCZDTKNNQB-INIZCTEOSA-N 1 3 330.473 0.053 20 0 ECADHO CN1c2ccccc2C[C@H]([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)C1=O ZINC000656787182 440847857 /nfs/dbraw/zinc/84/78/57/440847857.db2.gz FWHBNOZQNXQZNC-ZFWWWQNUSA-N 1 3 330.432 0.361 20 0 ECADHO CN1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000645624801 440869611 /nfs/dbraw/zinc/86/96/11/440869611.db2.gz FURDJGOOMLJZAX-GOEBONIOSA-N 1 3 330.432 0.849 20 0 ECADHO CN(C)[C@@H](CNC(=O)Cn1cc(CCCC[NH3+])nn1)c1ccccc1 ZINC000640837968 441002805 /nfs/dbraw/zinc/00/28/05/441002805.db2.gz ZZEVJFPSKSVZJW-KRWDZBQOSA-N 1 3 344.463 0.979 20 0 ECADHO CC(=O)N1CCN(C(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662296125 441007257 /nfs/dbraw/zinc/00/72/57/441007257.db2.gz WFKOIVCFTHHKGS-KRWDZBQOSA-N 1 3 336.480 0.389 20 0 ECADHO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCN(c2ccncc2)CC1 ZINC000662355246 441018936 /nfs/dbraw/zinc/01/89/36/441018936.db2.gz LMIWCLPAFORDBP-ZDUSSCGKSA-N 1 3 326.404 0.844 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652158534 441022017 /nfs/dbraw/zinc/02/20/17/441022017.db2.gz DRPSGZNABTVSQX-INIZCTEOSA-N 1 3 339.528 0.949 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662439588 441041708 /nfs/dbraw/zinc/04/17/08/441041708.db2.gz DPJUUCBMNHCOQC-UHFFFAOYSA-N 1 3 330.436 0.961 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(C)(C)CN1CCOCC1 ZINC000635934987 441043582 /nfs/dbraw/zinc/04/35/82/441043582.db2.gz XTUWXAQICQOJMK-UHFFFAOYSA-N 1 3 342.528 0.687 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)CN1CCOCC1 ZINC000635934987 441043585 /nfs/dbraw/zinc/04/35/85/441043585.db2.gz XTUWXAQICQOJMK-UHFFFAOYSA-N 1 3 342.528 0.687 20 0 ECADHO CN(CCCN(C)C(=O)C(C)(C)CN1CCOCC1)CC[NH+](C)C ZINC000635934987 441043591 /nfs/dbraw/zinc/04/35/91/441043591.db2.gz XTUWXAQICQOJMK-UHFFFAOYSA-N 1 3 342.528 0.687 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000646433507 441061328 /nfs/dbraw/zinc/06/13/28/441061328.db2.gz YXNBPMAPFWIBQF-HNNXBMFYSA-N 1 3 332.448 0.592 20 0 ECADHO COC[C@@H]([NH3+])Cc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641228474 441081624 /nfs/dbraw/zinc/08/16/24/441081624.db2.gz ALPWWRDGHKQMST-FUHWJXTLSA-N 1 3 345.447 0.431 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000289640632 320671176 /nfs/dbraw/zinc/67/11/76/320671176.db2.gz BZSLIIOFDZDFSU-OAHLLOKOSA-N 1 3 337.420 0.524 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000340232260 321026267 /nfs/dbraw/zinc/02/62/67/321026267.db2.gz PZOVCEXPCNEKFT-QGZVFWFLSA-N 1 3 340.512 0.367 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000340232260 321026268 /nfs/dbraw/zinc/02/62/68/321026268.db2.gz PZOVCEXPCNEKFT-QGZVFWFLSA-N 1 3 340.512 0.367 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000340423016 321043711 /nfs/dbraw/zinc/04/37/11/321043711.db2.gz KQZXMTSMLXTJOG-INIZCTEOSA-N 1 3 342.509 0.140 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000343020680 321117791 /nfs/dbraw/zinc/11/77/91/321117791.db2.gz VKGBEZLUAAVACS-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCCCCC1 ZINC000346058432 321212419 /nfs/dbraw/zinc/21/24/19/321212419.db2.gz MUWQQRFURIHZRE-CVEARBPZSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCCCCC1 ZINC000346058432 321212421 /nfs/dbraw/zinc/21/24/21/321212421.db2.gz MUWQQRFURIHZRE-CVEARBPZSA-N 1 3 338.496 0.955 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000352456252 321360760 /nfs/dbraw/zinc/36/07/60/321360760.db2.gz MYOAFNAOEDFTOK-GJZGRUSLSA-N 1 3 328.501 0.974 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000368411444 321727148 /nfs/dbraw/zinc/72/71/48/321727148.db2.gz HSYQKEOVWIJCCH-KRWDZBQOSA-N 1 3 332.448 0.628 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000526912487 322000331 /nfs/dbraw/zinc/00/03/31/322000331.db2.gz VHDCHQOMYNKHHB-MJGOQNOKSA-N 1 3 346.475 0.874 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000526912487 322000334 /nfs/dbraw/zinc/00/03/34/322000334.db2.gz VHDCHQOMYNKHHB-MJGOQNOKSA-N 1 3 346.475 0.874 20 0 ECADHO O=C(N[C@@H]1CCN(C2CC2)C1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532618203 322057546 /nfs/dbraw/zinc/05/75/46/322057546.db2.gz QXHKNFRITXOANG-DJIMGWMZSA-N 1 3 336.480 0.900 20 0 ECADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000545883557 322111129 /nfs/dbraw/zinc/11/11/29/322111129.db2.gz MNROPLSHYXHANY-QSJFSLAZSA-N 1 3 326.485 0.719 20 0 ECADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000545883557 322111130 /nfs/dbraw/zinc/11/11/30/322111130.db2.gz MNROPLSHYXHANY-QSJFSLAZSA-N 1 3 326.485 0.719 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000547439637 322127065 /nfs/dbraw/zinc/12/70/65/322127065.db2.gz LLSOTAGHRBJUOL-ZMSDIMECSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000547439637 322127068 /nfs/dbraw/zinc/12/70/68/322127068.db2.gz LLSOTAGHRBJUOL-ZMSDIMECSA-N 1 3 337.512 0.794 20 0 ECADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)NC1CNC1 ZINC000556987548 322201570 /nfs/dbraw/zinc/20/15/70/322201570.db2.gz CDFCPUJMBDKFOF-UHFFFAOYSA-N 1 3 330.432 0.742 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000561198675 322256134 /nfs/dbraw/zinc/25/61/34/322256134.db2.gz GGJKGYARHBFTMP-NXHRZFHOSA-N 1 3 345.491 0.934 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)C2)nn1 ZINC000563116976 322299238 /nfs/dbraw/zinc/29/92/38/322299238.db2.gz QQOXUDBWHCNXOI-JLJPHGGASA-N 1 3 332.452 0.680 20 0 ECADHO N[C@H](Cc1ccccc1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000563522302 322324555 /nfs/dbraw/zinc/32/45/55/322324555.db2.gz SIENXBRZDBSQAV-DAWZGUTISA-N 1 3 330.476 0.889 20 0 ECADHO N[C@H](Cc1ccccc1)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000563522302 322324557 /nfs/dbraw/zinc/32/45/57/322324557.db2.gz SIENXBRZDBSQAV-DAWZGUTISA-N 1 3 330.476 0.889 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563620355 322334077 /nfs/dbraw/zinc/33/40/77/322334077.db2.gz IXYXJXCCAZANLL-KFWWJZLASA-N 1 3 338.496 0.585 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000564466545 322376715 /nfs/dbraw/zinc/37/67/15/322376715.db2.gz QMXYPFPABFBFHK-UHFFFAOYSA-N 1 3 336.484 0.154 20 0 ECADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000570271678 322681748 /nfs/dbraw/zinc/68/17/48/322681748.db2.gz QQLBCLFPLDXJNS-HZPDHXFCSA-N 1 3 336.480 0.661 20 0 ECADHO CCC[NH+](CCC)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572180919 322740753 /nfs/dbraw/zinc/74/07/53/322740753.db2.gz UQEZRDUIZNFWDP-HUUCEWRRSA-N 1 3 339.484 0.452 20 0 ECADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000575029050 322789215 /nfs/dbraw/zinc/78/92/15/322789215.db2.gz GNUQHBGHWNSBJK-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO CS(=O)(=O)C1(C(=O)N2C[C@H](N)Cc3ccccc32)CC[NH2+]CC1 ZINC000576469090 322808072 /nfs/dbraw/zinc/80/80/72/322808072.db2.gz NCLWAZHGPUFMII-CYBMUJFWSA-N 1 3 337.445 0.070 20 0 ECADHO C[C@H](CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[C@H]1CCC[NH2+]C1 ZINC000577395741 322834167 /nfs/dbraw/zinc/83/41/67/322834167.db2.gz SBMWSWPMHJGWGL-YCPHGPKFSA-N 1 3 334.468 0.926 20 0 ECADHO COCCCNC(=O)[C@H](C)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000578196460 322857899 /nfs/dbraw/zinc/85/78/99/322857899.db2.gz IWLINZFHWVSNAD-JKSUJKDBSA-N 1 3 326.485 0.145 20 0 ECADHO C[C@H](CN1CCOCC1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000091617337 545724878 /nfs/dbraw/zinc/72/48/78/545724878.db2.gz YILDFGOIHMZRIO-OAHLLOKOSA-N 1 3 326.485 0.097 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248711107 545943088 /nfs/dbraw/zinc/94/30/88/545943088.db2.gz MUDLNJJGIJZICQ-PMPSAXMXSA-N 1 3 337.512 0.937 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000248711107 545943090 /nfs/dbraw/zinc/94/30/90/545943090.db2.gz MUDLNJJGIJZICQ-PMPSAXMXSA-N 1 3 337.512 0.937 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000343003046 546092628 /nfs/dbraw/zinc/09/26/28/546092628.db2.gz CHAAZGNRFNKAMW-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC[C@@H](C)[N@@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268016 546222276 /nfs/dbraw/zinc/22/22/76/546222276.db2.gz HZNYLOZJQWRTOV-OLMNPRSZSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC[C@@H](C)[N@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268016 546222279 /nfs/dbraw/zinc/22/22/79/546222279.db2.gz HZNYLOZJQWRTOV-OLMNPRSZSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CC[N@@H+](CC[C@@H](C)N2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268016 546222281 /nfs/dbraw/zinc/22/22/81/546222281.db2.gz HZNYLOZJQWRTOV-OLMNPRSZSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CC[N@H+](CC[C@@H](C)N2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268016 546222285 /nfs/dbraw/zinc/22/22/85/546222285.db2.gz HZNYLOZJQWRTOV-OLMNPRSZSA-N 1 3 338.496 0.681 20 0 ECADHO CO[C@H]1C[C@@H](CN(C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)[N@H+](C)C1 ZINC000497514637 546255725 /nfs/dbraw/zinc/25/57/25/546255725.db2.gz FTOCNWUQYJDNMB-NRKLIOEPSA-N 1 3 329.485 0.107 20 0 ECADHO CO[C@H]1C[C@@H](CN(C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)[N@@H+](C)C1 ZINC000497514637 546255730 /nfs/dbraw/zinc/25/57/30/546255730.db2.gz FTOCNWUQYJDNMB-NRKLIOEPSA-N 1 3 329.485 0.107 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CCN(C3CCCCC3)C1)C2 ZINC000621849236 546577318 /nfs/dbraw/zinc/57/73/18/546577318.db2.gz PUFNGOIWIJLKLC-DOXZYTNZSA-N 1 3 348.491 0.849 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000623395353 546782772 /nfs/dbraw/zinc/78/27/72/546782772.db2.gz IMNNNTRIQFSCAF-KBPBESRZSA-N 1 3 325.457 0.232 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000623395353 546782774 /nfs/dbraw/zinc/78/27/74/546782774.db2.gz IMNNNTRIQFSCAF-KBPBESRZSA-N 1 3 325.457 0.232 20 0 ECADHO CN(C)CCN1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1=O ZINC000624609575 546944167 /nfs/dbraw/zinc/94/41/67/546944167.db2.gz ZKUFCELOJJEWSU-OAHLLOKOSA-N 1 3 339.484 0.134 20 0 ECADHO CN(C)CCN1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1=O ZINC000624609575 546944173 /nfs/dbraw/zinc/94/41/73/546944173.db2.gz ZKUFCELOJJEWSU-OAHLLOKOSA-N 1 3 339.484 0.134 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667266299 547492297 /nfs/dbraw/zinc/49/22/97/547492297.db2.gz SUHHCVOXVQUDFH-OAHLLOKOSA-N 1 3 332.448 0.988 20 0 ECADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)[NH3+])c2)CC1 ZINC000667559230 547531414 /nfs/dbraw/zinc/53/14/14/547531414.db2.gz GCVUDFJYARHCHY-CQSZACIVSA-N 1 3 347.463 0.619 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000668373916 547638402 /nfs/dbraw/zinc/63/84/02/547638402.db2.gz NHWFFFSIPTWXRC-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668502407 547672163 /nfs/dbraw/zinc/67/21/63/547672163.db2.gz TXQJZIHMFOEYPB-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668502407 547672166 /nfs/dbraw/zinc/67/21/66/547672166.db2.gz TXQJZIHMFOEYPB-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668625080 547704998 /nfs/dbraw/zinc/70/49/98/547704998.db2.gz ZZMCDDXNVSMYGK-KGLIPLIRSA-N 1 3 326.485 0.822 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCc4nc[nH]c4C3)C2)CC1 ZINC000668640890 547710511 /nfs/dbraw/zinc/71/05/11/547710511.db2.gz YVEKYXMFWGXYIA-KBPBESRZSA-N 1 3 331.464 0.799 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCc4nc[nH]c4C3)C2)CC1 ZINC000668640890 547710514 /nfs/dbraw/zinc/71/05/14/547710514.db2.gz YVEKYXMFWGXYIA-KBPBESRZSA-N 1 3 331.464 0.799 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668730706 547737452 /nfs/dbraw/zinc/73/74/52/547737452.db2.gz SJAWQRKQFMQTDE-CQSZACIVSA-N 1 3 326.485 0.824 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668730706 547737455 /nfs/dbraw/zinc/73/74/55/547737455.db2.gz SJAWQRKQFMQTDE-CQSZACIVSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000668776308 547746040 /nfs/dbraw/zinc/74/60/40/547746040.db2.gz DNQRSSDZGVVTER-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000668776308 547746044 /nfs/dbraw/zinc/74/60/44/547746044.db2.gz DNQRSSDZGVVTER-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669444082 547890915 /nfs/dbraw/zinc/89/09/15/547890915.db2.gz VHJSJIFNDVAHBH-LSDHHAIUSA-N 1 3 339.484 0.370 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669567989 547907117 /nfs/dbraw/zinc/90/71/17/547907117.db2.gz NTFDLJJCDOBJBF-JKSUJKDBSA-N 1 3 326.485 0.986 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000669573412 547907882 /nfs/dbraw/zinc/90/78/82/547907882.db2.gz HLKZBIBTMUOLIE-CVEARBPZSA-N 1 3 337.512 0.796 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672011381 548255120 /nfs/dbraw/zinc/25/51/20/548255120.db2.gz RXAJIMKFYNNTIA-HOCLYGCPSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000672204336 548281623 /nfs/dbraw/zinc/28/16/23/548281623.db2.gz KEZOSDZURMSKKA-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C ZINC000672593559 548358112 /nfs/dbraw/zinc/35/81/12/548358112.db2.gz XWVVRXDMXXZPHN-BLNMRFBMSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C ZINC000672593559 548358116 /nfs/dbraw/zinc/35/81/16/548358116.db2.gz XWVVRXDMXXZPHN-BLNMRFBMSA-N 1 3 336.480 0.717 20 0 ECADHO C[NH+](C)C[C@H](CO)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000673519966 548507277 /nfs/dbraw/zinc/50/72/77/548507277.db2.gz GYCKXBFDQGOWNO-MRXNPFEDSA-N 1 3 334.464 0.237 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)CC2 ZINC000676097502 548790185 /nfs/dbraw/zinc/79/01/85/548790185.db2.gz OYJHHIGFFBNYFA-CABCVRRESA-N 1 3 348.451 0.078 20 0 ECADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000685233521 549669072 /nfs/dbraw/zinc/66/90/72/549669072.db2.gz SGTSKQSJLZGDSW-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)N1CCCCC1 ZINC000790187922 578869321 /nfs/dbraw/zinc/86/93/21/578869321.db2.gz LFEACNSCAQEIDG-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790592412 578875994 /nfs/dbraw/zinc/87/59/94/578875994.db2.gz XJFGOJUPVWOXOH-INIZCTEOSA-N 1 3 333.436 0.526 20 0 ECADHO Cn1nccc1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000762577184 579544446 /nfs/dbraw/zinc/54/44/46/579544446.db2.gz NUQUXZGOPSLGOD-UHFFFAOYSA-N 1 3 348.495 0.820 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)Nc2cccc(OCC[NH3+])c2)CCC1 ZINC000841096543 588978332 /nfs/dbraw/zinc/97/83/32/588978332.db2.gz XKMLJFFKJGDFIQ-UHFFFAOYSA-N 1 3 334.420 0.563 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)CN1CCN(C)CC1 ZINC000891603892 586181162 /nfs/dbraw/zinc/18/11/62/586181162.db2.gz SBHRMMJZWPJEIL-HZPDHXFCSA-N 1 3 339.528 0.947 20 0 ECADHO CN(C)[C@@]1(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000891641698 586184324 /nfs/dbraw/zinc/18/43/24/586184324.db2.gz PVXLJYDXDMQWBX-WCQYABFASA-N 1 3 336.452 0.968 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccn(CC(F)(F)F)n1 ZINC000895504054 586185297 /nfs/dbraw/zinc/18/52/97/586185297.db2.gz YNIVGOWULWTKBP-UHFFFAOYSA-N 1 3 349.401 0.940 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC2CC[NH2+]CC2)CC1 ZINC000891961772 586209273 /nfs/dbraw/zinc/20/92/73/586209273.db2.gz UJOSJKYUZLROKW-UHFFFAOYSA-N 1 3 337.468 0.254 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000892166653 586226404 /nfs/dbraw/zinc/22/64/04/586226404.db2.gz KSMXAVFNCSYRAN-GDBMZVCRSA-N 1 3 333.436 0.680 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)CC1 ZINC000892188115 586228442 /nfs/dbraw/zinc/22/84/42/586228442.db2.gz OVZDREBDNOVABH-IXDOHACOSA-N 1 3 349.523 0.796 20 0 ECADHO O=C(NCc1cccc2c1CC[NH2+]C2)N[C@H]1CCCN(CCCO)C1 ZINC000892332208 586252401 /nfs/dbraw/zinc/25/24/01/586252401.db2.gz MCNNBTBKKJVCGH-KRWDZBQOSA-N 1 3 346.475 0.978 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCC(C)(C)C[NH2+]3)C[C@H]2N)cn1 ZINC000892383977 586261839 /nfs/dbraw/zinc/26/18/39/586261839.db2.gz IXTOIJSQYDQCJV-QLFBSQMISA-N 1 3 334.468 0.634 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000892481041 586268614 /nfs/dbraw/zinc/26/86/14/586268614.db2.gz LORBIZBSNHAWJP-GJZGRUSLSA-N 1 3 326.485 0.911 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2N)cn1 ZINC000892587097 586275147 /nfs/dbraw/zinc/27/51/47/586275147.db2.gz JEIGXQPBJZDKBO-YPUPRDRTSA-N 1 3 332.452 0.387 20 0 ECADHO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000897021960 586281746 /nfs/dbraw/zinc/28/17/46/586281746.db2.gz KLEFOIOJYDWPIU-HUUCEWRRSA-N 1 3 336.480 0.624 20 0 ECADHO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000897021960 586281747 /nfs/dbraw/zinc/28/17/47/586281747.db2.gz KLEFOIOJYDWPIU-HUUCEWRRSA-N 1 3 336.480 0.624 20 0 ECADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000897057994 586283716 /nfs/dbraw/zinc/28/37/16/586283716.db2.gz LEMGTCIVANPUBF-HNNXBMFYSA-N 1 3 341.477 0.737 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892693049 586283969 /nfs/dbraw/zinc/28/39/69/586283969.db2.gz AMCVEAFGGXQRMY-HRCADAONSA-N 1 3 326.485 0.957 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892693049 586283972 /nfs/dbraw/zinc/28/39/72/586283972.db2.gz AMCVEAFGGXQRMY-HRCADAONSA-N 1 3 326.485 0.957 20 0 ECADHO O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1Cc2ccccc2CN1 ZINC000892807414 586292870 /nfs/dbraw/zinc/29/28/70/586292870.db2.gz BXDYONZIABDNTM-KRWDZBQOSA-N 1 3 325.416 0.929 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000893236897 586318857 /nfs/dbraw/zinc/31/88/57/586318857.db2.gz DUXLIYWGPCPZGW-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000893236897 586318858 /nfs/dbraw/zinc/31/88/58/586318858.db2.gz DUXLIYWGPCPZGW-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H]1CCCN1CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000897482347 586331668 /nfs/dbraw/zinc/33/16/68/586331668.db2.gz QJMJBNPCKWYPID-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H]1CCCN1CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000897482347 586331671 /nfs/dbraw/zinc/33/16/71/586331671.db2.gz QJMJBNPCKWYPID-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000894456425 586394786 /nfs/dbraw/zinc/39/47/86/586394786.db2.gz QOOSNVNXVPBRET-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000894456425 586394789 /nfs/dbraw/zinc/39/47/89/586394789.db2.gz QOOSNVNXVPBRET-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO COCCOC[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000894894725 586418086 /nfs/dbraw/zinc/41/80/86/586418086.db2.gz NGVGYVUPUBSESM-MRXNPFEDSA-N 1 3 329.485 0.424 20 0 ECADHO CC1(C)CC[N@H+](CCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000898586750 586435037 /nfs/dbraw/zinc/43/50/37/586435037.db2.gz QTNAQVINZPLPLL-CVEARBPZSA-N 1 3 338.496 0.959 20 0 ECADHO CC1(C)CC[N@@H+](CCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000898586750 586435038 /nfs/dbraw/zinc/43/50/38/586435038.db2.gz QTNAQVINZPLPLL-CVEARBPZSA-N 1 3 338.496 0.959 20 0 ECADHO CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC000900659984 586652173 /nfs/dbraw/zinc/65/21/73/586652173.db2.gz RMRUNRMCRYPIHL-KRWDZBQOSA-N 1 3 339.528 0.155 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000901107221 586693684 /nfs/dbraw/zinc/69/36/84/586693684.db2.gz VPPSDMDAIVXBNX-BBWFWOEESA-N 1 3 348.491 0.768 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000901107221 586693686 /nfs/dbraw/zinc/69/36/86/586693686.db2.gz VPPSDMDAIVXBNX-BBWFWOEESA-N 1 3 348.491 0.768 20 0 ECADHO [NH3+][C@@H]1CC[C@H](CN2CCN(Cc3nnnn3-c3ccccc3)CC2)C1 ZINC000903442624 586776270 /nfs/dbraw/zinc/77/62/70/586776270.db2.gz UZYFGUPZHFVACH-JKSUJKDBSA-N 1 3 341.463 0.907 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1C[C@@H](C)C[C@H](C)C1)C2 ZINC000903491062 586779474 /nfs/dbraw/zinc/77/94/74/586779474.db2.gz UCELSNGZDJYZIM-IBTNMTNLSA-N 1 3 337.464 0.703 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)N1CCC(C)CC1)C2 ZINC000903491852 586779614 /nfs/dbraw/zinc/77/96/14/586779614.db2.gz DADQTSIVBAURJE-AFIMGQEJSA-N 1 3 337.464 0.846 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C[C@H]1CC[NH3+] ZINC000903730027 586802904 /nfs/dbraw/zinc/80/29/04/586802904.db2.gz FXYXZXXQTVRPJR-BZUAXINKSA-N 1 3 336.480 0.517 20 0 ECADHO COCCOCCOCCN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000903761264 586808359 /nfs/dbraw/zinc/80/83/59/586808359.db2.gz OLZVKFJGHRFQPC-DLBZAZTESA-N 1 3 330.469 0.884 20 0 ECADHO COCCOCCOCCN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000903760936 586808526 /nfs/dbraw/zinc/80/85/26/586808526.db2.gz LKFWXBRTRPGISA-IAGOWNOFSA-N 1 3 330.469 0.884 20 0 ECADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)C1 ZINC000903754238 586811644 /nfs/dbraw/zinc/81/16/44/586811644.db2.gz CESLMDSJZZRCIB-GJZGRUSLSA-N 1 3 336.480 0.372 20 0 ECADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)C1 ZINC000903754238 586811646 /nfs/dbraw/zinc/81/16/46/586811646.db2.gz CESLMDSJZZRCIB-GJZGRUSLSA-N 1 3 336.480 0.372 20 0 ECADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC(C(C)(C)C[NH3+])CC2)C1 ZINC000903790491 586813092 /nfs/dbraw/zinc/81/30/92/586813092.db2.gz KWKAVNKWOOJXQU-MRXNPFEDSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@]1(C2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)COC(=O)N1 ZINC000903986450 586829772 /nfs/dbraw/zinc/82/97/72/586829772.db2.gz JXDHMKNSAJJBJW-DYVFJYSZSA-N 1 3 338.452 0.394 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000904971034 586851655 /nfs/dbraw/zinc/85/16/55/586851655.db2.gz ICKYVXUHXDDFPA-JTDSTZFVSA-N 1 3 348.491 0.803 20 0 ECADHO NC[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000904974531 586853356 /nfs/dbraw/zinc/85/33/56/586853356.db2.gz SWBBCEWYZGAIOB-TXPKVOOTSA-N 1 3 348.491 0.661 20 0 ECADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)C3(O)CCC3)cc2)CC1 ZINC000905050844 586865231 /nfs/dbraw/zinc/86/52/31/586865231.db2.gz XIFWFKXJGATAPX-SFHVURJKSA-N 1 3 333.476 0.800 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)CC2(O)CCCC2)CC1 ZINC000905103405 586870104 /nfs/dbraw/zinc/87/01/04/586870104.db2.gz AEXYYTLRRNPHOC-MRXNPFEDSA-N 1 3 341.496 0.575 20 0 ECADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)C1(O)CCOCC1 ZINC000905193481 586875761 /nfs/dbraw/zinc/87/57/61/586875761.db2.gz CMJUXHPEFGQRMZ-QGZVFWFLSA-N 1 3 335.448 0.790 20 0 ECADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000905344611 586884116 /nfs/dbraw/zinc/88/41/16/586884116.db2.gz KKZAYWKUCBZPGV-XYJFISCASA-N 1 3 342.480 0.907 20 0 ECADHO CN1CCN(C[C@H](O)CN[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000905554615 586900713 /nfs/dbraw/zinc/90/07/13/586900713.db2.gz YGYYHKHEVBADQK-MSOLQXFVSA-N 1 3 335.496 0.272 20 0 ECADHO CN1CCN(CCCC[NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905905582 586921335 /nfs/dbraw/zinc/92/13/35/586921335.db2.gz HFMOJQGWMLQPOU-KRWDZBQOSA-N 1 3 327.513 0.907 20 0 ECADHO CCN1CCN(CCCNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906645024 586960984 /nfs/dbraw/zinc/96/09/84/586960984.db2.gz IWDGWNQQACOJCG-UHFFFAOYSA-N 1 3 347.463 0.228 20 0 ECADHO [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000906652147 586961587 /nfs/dbraw/zinc/96/15/87/586961587.db2.gz YDQQPPGOCIQUFU-ZIAGYGMSSA-N 1 3 332.404 0.063 20 0 ECADHO CN1CCCN(c2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC000906697314 586967433 /nfs/dbraw/zinc/96/74/33/586967433.db2.gz KOXAUGDKEDOHLO-UHFFFAOYSA-N 1 3 345.447 0.375 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000906907324 586992587 /nfs/dbraw/zinc/99/25/87/586992587.db2.gz OAQUSZQNYNOJPZ-UHFFFAOYSA-N 1 3 340.512 0.439 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000806327780 587092912 /nfs/dbraw/zinc/09/29/12/587092912.db2.gz PIFHACVERQDJKO-OAHLLOKOSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000806327780 587092914 /nfs/dbraw/zinc/09/29/14/587092914.db2.gz PIFHACVERQDJKO-OAHLLOKOSA-N 1 3 326.485 0.824 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1CN1CCCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817942877 587393036 /nfs/dbraw/zinc/39/30/36/587393036.db2.gz GXVJPJUIVYRBEV-MAUKXSAKSA-N 1 3 334.464 0.428 20 0 ECADHO COC[C@@]1(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000844171657 589098122 /nfs/dbraw/zinc/09/81/22/589098122.db2.gz PJYGDOQBTASUOP-DOTOQJQBSA-N 1 3 325.453 0.372 20 0 ECADHO CN(C)C1(CNC(=O)CO[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000844186568 589100941 /nfs/dbraw/zinc/10/09/41/589100941.db2.gz ZXUGNMTVIVGMNG-KRWDZBQOSA-N 1 3 331.460 0.970 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844192348 589101950 /nfs/dbraw/zinc/10/19/50/589101950.db2.gz MSGGKDUUZMFRTN-CQSZACIVSA-N 1 3 333.436 0.541 20 0 ECADHO COC[C@]1(c2nc(-c3ccnc(OCCN(C)C)c3)no2)CC[NH2+]C1 ZINC000822863729 587685996 /nfs/dbraw/zinc/68/59/96/587685996.db2.gz SPXJRKFXKWJGMW-KRWDZBQOSA-N 1 3 347.419 0.950 20 0 ECADHO Cc1cc([C@@H](N)CC(=O)NCCN2CC[NH2+]CC2)cc(Cl)n1 ZINC000832393130 588481612 /nfs/dbraw/zinc/48/16/12/588481612.db2.gz JNBPGUODOVFLRN-ZDUSSCGKSA-N 1 3 325.844 0.455 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000848238147 589284497 /nfs/dbraw/zinc/28/44/97/589284497.db2.gz NOMZJQJYUMLLAQ-OAHLLOKOSA-N 1 3 346.475 0.983 20 0 ECADHO CCOCCCNC(=[NH2+])NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000849073969 589319209 /nfs/dbraw/zinc/31/92/09/589319209.db2.gz SNOBFFYTYWLKHX-AWEZNQCLSA-N 1 3 327.473 0.470 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(CCN(C)C)CC(=O)N(C)C ZINC000849292347 589324895 /nfs/dbraw/zinc/32/48/95/589324895.db2.gz CSDUOJNHFAEOJQ-CQSZACIVSA-N 1 3 343.541 0.297 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N(CCN(C)C)CC(=O)N(C)C ZINC000849292347 589324898 /nfs/dbraw/zinc/32/48/98/589324898.db2.gz CSDUOJNHFAEOJQ-CQSZACIVSA-N 1 3 343.541 0.297 20 0 ECADHO COCCN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849515396 589339339 /nfs/dbraw/zinc/33/93/39/589339339.db2.gz GFWCNYKSJGRTOV-CVEARBPZSA-N 1 3 337.468 0.150 20 0 ECADHO COCCN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849515396 589339340 /nfs/dbraw/zinc/33/93/40/589339340.db2.gz GFWCNYKSJGRTOV-CVEARBPZSA-N 1 3 337.468 0.150 20 0 ECADHO CC(C)(C)[NH+]1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000851654605 589410531 /nfs/dbraw/zinc/41/05/31/589410531.db2.gz FRMKGAYTDSEEOB-UHFFFAOYSA-N 1 3 336.440 0.703 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851836802 589427738 /nfs/dbraw/zinc/42/77/38/589427738.db2.gz QHBNKSLIHACRIC-OAHLLOKOSA-N 1 3 327.469 0.918 20 0 ECADHO NC[C@@H]1CC(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)=NO1 ZINC000852868145 589519963 /nfs/dbraw/zinc/51/99/63/589519963.db2.gz OIPFGCKPNFIPSL-INIZCTEOSA-N 1 3 346.431 0.881 20 0 ECADHO [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)=NO1 ZINC000852887368 589522060 /nfs/dbraw/zinc/52/20/60/589522060.db2.gz LYOHGCGESACFFX-HZPDHXFCSA-N 1 3 346.431 0.497 20 0 ECADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852888405 589522105 /nfs/dbraw/zinc/52/21/05/589522105.db2.gz WWDXLQDPMRCAGH-IUODEOHRSA-N 1 3 331.420 0.827 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1COC(C)(C)O1 ZINC000853976836 589566602 /nfs/dbraw/zinc/56/66/02/589566602.db2.gz IXCIBCLPYUCCDH-UONOGXRCSA-N 1 3 330.473 0.709 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1COC(C)(C)O1 ZINC000853976836 589566604 /nfs/dbraw/zinc/56/66/04/589566604.db2.gz IXCIBCLPYUCCDH-UONOGXRCSA-N 1 3 330.473 0.709 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC12OCCO2 ZINC000855347170 589627737 /nfs/dbraw/zinc/62/77/37/589627737.db2.gz WZGRQUFNXIETIF-GJZGRUSLSA-N 1 3 327.469 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC12OCCO2 ZINC000855347170 589627739 /nfs/dbraw/zinc/62/77/39/589627739.db2.gz WZGRQUFNXIETIF-GJZGRUSLSA-N 1 3 327.469 0.918 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000857107438 589687035 /nfs/dbraw/zinc/68/70/35/589687035.db2.gz VOPFSAJWQQCVAK-KBPBESRZSA-N 1 3 349.483 0.446 20 0 ECADHO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H](N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000859086773 589798338 /nfs/dbraw/zinc/79/83/38/589798338.db2.gz ZCSWFPNJIDKSHV-OEUWWYETSA-N 1 3 325.453 0.898 20 0 ECADHO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H](N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000859086772 589798410 /nfs/dbraw/zinc/79/84/10/589798410.db2.gz ZCSWFPNJIDKSHV-LOUJCGABSA-N 1 3 325.453 0.898 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000861765131 589889701 /nfs/dbraw/zinc/88/97/01/589889701.db2.gz LTDSTAFFFFYVIQ-ZOBUZTSGSA-N 1 3 346.475 0.961 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868392186 589901153 /nfs/dbraw/zinc/90/11/53/589901153.db2.gz UQLBMMIIPAJCOI-RDTXWAMCSA-N 1 3 338.496 0.763 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CCC[C@@H](N2CCCC2)C1 ZINC000868417011 589904078 /nfs/dbraw/zinc/90/40/78/589904078.db2.gz BMTUVFNKWDGADQ-PMPSAXMXSA-N 1 3 334.464 0.426 20 0 ECADHO CN1CCC[C@H]1CNC(=O)/C=C/C=C/C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000863504001 590019337 /nfs/dbraw/zinc/01/93/37/590019337.db2.gz WBPSKRJBTOUNLQ-WHXBBCHLSA-N 1 3 334.464 0.520 20 0 ECADHO CN1CCC[C@H]1CNC(=O)/C=C/C=C/C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000863504001 590019340 /nfs/dbraw/zinc/01/93/40/590019340.db2.gz WBPSKRJBTOUNLQ-WHXBBCHLSA-N 1 3 334.464 0.520 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](O)[C@@H](C)O)CC2)CC1 ZINC000871138169 590050871 /nfs/dbraw/zinc/05/08/71/590050871.db2.gz LUQCIGGXXSHCDW-CZUORRHYSA-N 1 3 327.469 0.041 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCC[C@H](N3CCCC3)C1)C2 ZINC000872188191 590100718 /nfs/dbraw/zinc/10/07/18/590100718.db2.gz QTIGIZXQXYWJDO-RLFYNMQTSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCCC[C@@H](N3CCCC3)C1)C2 ZINC000872190895 590101676 /nfs/dbraw/zinc/10/16/76/590101676.db2.gz UAWAEGVOPLDBAU-FRQCXROJSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@H+](C[C@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C1CC1 ZINC000872225515 590106129 /nfs/dbraw/zinc/10/61/29/590106129.db2.gz KNXWZMCIQWCJSA-KFWWJZLASA-N 1 3 343.468 0.401 20 0 ECADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C1CC1 ZINC000872225515 590106131 /nfs/dbraw/zinc/10/61/31/590106131.db2.gz KNXWZMCIQWCJSA-KFWWJZLASA-N 1 3 343.468 0.401 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000864960925 590118560 /nfs/dbraw/zinc/11/85/60/590118560.db2.gz TWAZEOVAXBMFEC-OLZOCXBDSA-N 1 3 328.457 0.509 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000864960925 590118563 /nfs/dbraw/zinc/11/85/63/590118563.db2.gz TWAZEOVAXBMFEC-OLZOCXBDSA-N 1 3 328.457 0.509 20 0 ECADHO CCO[C@@H]1COCC[C@@H]1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000865178276 590129800 /nfs/dbraw/zinc/12/98/00/590129800.db2.gz SFAHXLSVYWMZDA-HZPDHXFCSA-N 1 3 329.485 0.770 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875726516 590325735 /nfs/dbraw/zinc/32/57/35/590325735.db2.gz OMLUDOICGMEHBU-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000876743307 590407449 /nfs/dbraw/zinc/40/74/49/590407449.db2.gz BLVWCHUYHYSZJL-IRXDYDNUSA-N 1 3 329.444 0.854 20 0 ECADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000876768320 590412410 /nfs/dbraw/zinc/41/24/10/590412410.db2.gz HMTBASDSNGUOFA-RYTMFUSVSA-N 1 3 336.480 0.065 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000876838712 590418378 /nfs/dbraw/zinc/41/83/78/590418378.db2.gz MDIXJYBVXQVBEK-ZWKOTPCHSA-N 1 3 349.475 0.925 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)CCC34CC(C3)C[NH2+]4)c2)nn1 ZINC000877206938 590445116 /nfs/dbraw/zinc/44/51/16/590445116.db2.gz RPRNCCUJCQGUJQ-UHFFFAOYSA-N 1 3 340.431 0.874 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)c2)nn1 ZINC000877207499 590445198 /nfs/dbraw/zinc/44/51/98/590445198.db2.gz YQOVDNLDEOWEEV-MRXNPFEDSA-N 1 3 340.431 0.732 20 0 ECADHO COC[C@]1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCCCN1 ZINC000877326785 590457170 /nfs/dbraw/zinc/45/71/70/590457170.db2.gz GHYZRUZYYPVOMF-PBHICJAKSA-N 1 3 325.453 0.420 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[NH+](C)C ZINC000881622828 590460786 /nfs/dbraw/zinc/46/07/86/590460786.db2.gz QIYJHZBBMZOPRV-HNNXBMFYSA-N 1 3 338.496 0.905 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[NH+](C)C ZINC000881622829 590461071 /nfs/dbraw/zinc/46/10/71/590461071.db2.gz QIYJHZBBMZOPRV-OAHLLOKOSA-N 1 3 338.496 0.905 20 0 ECADHO CN(CC(=O)NC1CC[NH+](C)CC1)C1CCN(c2cnccn2)CC1 ZINC000878528692 590526769 /nfs/dbraw/zinc/52/67/69/590526769.db2.gz CDXJZKJACZGNNO-UHFFFAOYSA-N 1 3 346.479 0.588 20 0 ECADHO C[NH+]1CCC(NC(=O)CN2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000879051330 590560290 /nfs/dbraw/zinc/56/02/90/590560290.db2.gz QSUOCXYIQGNNSM-UHFFFAOYSA-N 1 3 338.496 0.384 20 0 ECADHO COCC[N@H+](C[C@H](O)COC1CCOCC1)CC1CCN(C)CC1 ZINC000879124823 590565322 /nfs/dbraw/zinc/56/53/22/590565322.db2.gz FLWUMSJOMKTMNL-KRWDZBQOSA-N 1 3 344.496 0.833 20 0 ECADHO COCC[N@@H+](C[C@H](O)COC1CCOCC1)CC1CCN(C)CC1 ZINC000879124823 590565323 /nfs/dbraw/zinc/56/53/23/590565323.db2.gz FLWUMSJOMKTMNL-KRWDZBQOSA-N 1 3 344.496 0.833 20 0 ECADHO CC(=O)N1CCN(C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000879247075 590573757 /nfs/dbraw/zinc/57/37/57/590573757.db2.gz MISKIWNVOBDUNF-UHFFFAOYSA-N 1 3 336.480 0.485 20 0 ECADHO NC[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)C(F)(F)F ZINC000883574704 590626146 /nfs/dbraw/zinc/62/61/46/590626146.db2.gz MSYHTUNGHXLRPD-GFCCVEGCSA-N 1 3 338.374 0.819 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883637962 590636367 /nfs/dbraw/zinc/63/63/67/590636367.db2.gz ACLHHYIZUSOZFF-HUUCEWRRSA-N 1 3 345.447 0.316 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCC1 ZINC000884876437 590639491 /nfs/dbraw/zinc/63/94/91/590639491.db2.gz BHZJOVFSIRDDQQ-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884876435 590639619 /nfs/dbraw/zinc/63/96/19/590639619.db2.gz BFFYXTIUTAYJDZ-RBSFLKMASA-N 1 3 338.496 0.679 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)[NH2+]C1 ZINC000884882438 590641146 /nfs/dbraw/zinc/64/11/46/590641146.db2.gz CKGAEIDNPAGJQB-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884917398 590648903 /nfs/dbraw/zinc/64/89/03/590648903.db2.gz DVJWLUNUWTVLJT-SHTZXODSSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@@H]1CN ZINC000884986721 590663978 /nfs/dbraw/zinc/66/39/78/590663978.db2.gz UUSWEYOBUXADLT-YOFIQYCBSA-N 1 3 338.496 0.951 20 0 ECADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885152914 590688319 /nfs/dbraw/zinc/68/83/19/590688319.db2.gz ZLZAFFPQYOLZQV-DLBZAZTESA-N 1 3 344.459 0.370 20 0 ECADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885152914 590688325 /nfs/dbraw/zinc/68/83/25/590688325.db2.gz ZLZAFFPQYOLZQV-DLBZAZTESA-N 1 3 344.459 0.370 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000884204655 590774309 /nfs/dbraw/zinc/77/43/09/590774309.db2.gz AQKHRBSDDABTLN-INIZCTEOSA-N 1 3 346.475 0.840 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884207795 590774624 /nfs/dbraw/zinc/77/46/24/590774624.db2.gz GKTOBGDUMSPKTP-JKSUJKDBSA-N 1 3 345.447 0.084 20 0 ECADHO C[NH2+]CCOc1ccccc1C(=O)NCCCN1CCN(C)CC1 ZINC000884232866 590783629 /nfs/dbraw/zinc/78/36/29/590783629.db2.gz CHCJKJAGCZXJJX-UHFFFAOYSA-N 1 3 334.464 0.652 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000884300989 590799225 /nfs/dbraw/zinc/79/92/25/590799225.db2.gz MFVBQNZIYUWJNS-DLBZAZTESA-N 1 3 343.475 0.953 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884311588 590801971 /nfs/dbraw/zinc/80/19/71/590801971.db2.gz GUBJCQPLLODMMO-CQSZACIVSA-N 1 3 325.453 0.623 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccnc(N4CCNCC4)c3)CC[C@@H]21 ZINC000884471106 590835882 /nfs/dbraw/zinc/83/58/82/590835882.db2.gz LNDGJYYPCLLRPY-HOTGVXAUSA-N 1 3 329.448 0.657 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)c3ccnc(N4CCNCC4)c3)CC[C@@H]21 ZINC000884471106 590835886 /nfs/dbraw/zinc/83/58/86/590835886.db2.gz LNDGJYYPCLLRPY-HOTGVXAUSA-N 1 3 329.448 0.657 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884601345 590867471 /nfs/dbraw/zinc/86/74/71/590867471.db2.gz IILQUXSUDCDADS-KGLIPLIRSA-N 1 3 326.485 0.727 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000884625339 590875561 /nfs/dbraw/zinc/87/55/61/590875561.db2.gz HNPKIRIETGIWNX-DLBZAZTESA-N 1 3 344.459 0.717 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCNCCC12CCC2 ZINC000884627418 590876941 /nfs/dbraw/zinc/87/69/41/590876941.db2.gz PEHSCAZRYPTGAA-CQSZACIVSA-N 1 3 334.464 0.332 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCNCCC12CCC2 ZINC000884627418 590876944 /nfs/dbraw/zinc/87/69/44/590876944.db2.gz PEHSCAZRYPTGAA-CQSZACIVSA-N 1 3 334.464 0.332 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000884675060 590889404 /nfs/dbraw/zinc/88/94/04/590889404.db2.gz QQBWZPDXAFMPFG-CQSZACIVSA-N 1 3 345.447 0.235 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CCN1c1ccncc1 ZINC000884676660 590889907 /nfs/dbraw/zinc/88/99/07/590889907.db2.gz TVSUSHIWDUILDN-AWEZNQCLSA-N 1 3 345.447 0.377 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884681714 590892801 /nfs/dbraw/zinc/89/28/01/590892801.db2.gz DFWJIIGJIVFQFK-LSDHHAIUSA-N 1 3 345.447 0.235 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884690681 590897626 /nfs/dbraw/zinc/89/76/26/590897626.db2.gz IYFNOQUZMZNCBY-HNNXBMFYSA-N 1 3 347.463 0.623 20 0 ECADHO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1CNC1 ZINC000884693331 590899154 /nfs/dbraw/zinc/89/91/54/590899154.db2.gz VQOZITBSPIKBMN-UHFFFAOYSA-N 1 3 344.459 0.493 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884698511 590899954 /nfs/dbraw/zinc/89/99/54/590899954.db2.gz OKZNRKLIHOAOLI-XOYHFGRZSA-N 1 3 326.485 0.855 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884729765 590913411 /nfs/dbraw/zinc/91/34/11/590913411.db2.gz VIWMLYMIWPATBI-MELADBBJSA-N 1 3 333.436 0.361 20 0 ECADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000884776898 590919847 /nfs/dbraw/zinc/91/98/47/590919847.db2.gz ZTANIHRTUABBOL-OAGGEKHMSA-N 1 3 336.480 0.849 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884782113 590921448 /nfs/dbraw/zinc/92/14/48/590921448.db2.gz ASUHBNOUNAPHAW-HYVNUMGLSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)CC[C@@H]1[NH3+] ZINC000887091566 590942072 /nfs/dbraw/zinc/94/20/72/590942072.db2.gz OBJHOFFIEMDZOL-YCPHGPKFSA-N 1 3 345.447 0.314 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591507 611357514 /nfs/dbraw/zinc/35/75/14/611357514.db2.gz WQSCNITUAVEYRK-YVSFHVDLSA-N 1 3 348.491 0.517 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591507 611357515 /nfs/dbraw/zinc/35/75/15/611357515.db2.gz WQSCNITUAVEYRK-YVSFHVDLSA-N 1 3 348.491 0.517 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623363 611370715 /nfs/dbraw/zinc/37/07/15/611370715.db2.gz JISSGZPLTBEKGY-KFWWJZLASA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623363 611370718 /nfs/dbraw/zinc/37/07/18/611370718.db2.gz JISSGZPLTBEKGY-KFWWJZLASA-N 1 3 336.480 0.515 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](CN(C)C)C2=O)[C@@H](C)C1 ZINC000924631624 611419491 /nfs/dbraw/zinc/41/94/91/611419491.db2.gz ISEJYAXTLYIDHS-KKUMJFAQSA-N 1 3 340.468 0.605 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](N2C(=O)N[C@@H](CN(C)C)C2=O)[C@@H](C)C1 ZINC000924631624 611419493 /nfs/dbraw/zinc/41/94/93/611419493.db2.gz ISEJYAXTLYIDHS-KKUMJFAQSA-N 1 3 340.468 0.605 20 0 ECADHO COCCC[N@H+](C)CCN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924696943 611423717 /nfs/dbraw/zinc/42/37/17/611423717.db2.gz XHTZONKKYDUJDC-AWEZNQCLSA-N 1 3 326.441 0.361 20 0 ECADHO COCCC[N@@H+](C)CCN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924696943 611423718 /nfs/dbraw/zinc/42/37/18/611423718.db2.gz XHTZONKKYDUJDC-AWEZNQCLSA-N 1 3 326.441 0.361 20 0 ECADHO CN1C[C@@H](O)C[C@H]1CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000924982917 611445386 /nfs/dbraw/zinc/44/53/86/611445386.db2.gz YLOMXADICKOTRH-ICHOQEBTSA-N 1 3 347.459 0.821 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949089853 611466295 /nfs/dbraw/zinc/46/62/95/611466295.db2.gz RLXQMCYWTDIRQF-MRXNPFEDSA-N 1 3 339.480 0.545 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000946793522 611482039 /nfs/dbraw/zinc/48/20/39/611482039.db2.gz GFFAFSQYGHXSJM-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000946793522 611482042 /nfs/dbraw/zinc/48/20/42/611482042.db2.gz GFFAFSQYGHXSJM-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925543088 611486620 /nfs/dbraw/zinc/48/66/20/611486620.db2.gz QHFBKLVVHNDOPR-HNNXBMFYSA-N 1 3 326.485 0.191 20 0 ECADHO CCO[C@@H](CNC(=O)Nc1ccnn1CCN(C)C)C[NH+](C)C ZINC000931568083 611551008 /nfs/dbraw/zinc/55/10/08/611551008.db2.gz QAKOGLQEWFKOLZ-ZDUSSCGKSA-N 1 3 326.445 0.533 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000947500669 611568457 /nfs/dbraw/zinc/56/84/57/611568457.db2.gz SOHXRKVVWOHZOZ-CQSZACIVSA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000947500669 611568460 /nfs/dbraw/zinc/56/84/60/611568460.db2.gz SOHXRKVVWOHZOZ-CQSZACIVSA-N 1 3 347.463 0.710 20 0 ECADHO C[C@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000927033727 611582844 /nfs/dbraw/zinc/58/28/44/611582844.db2.gz QBIMGFJYONBTLZ-DZGCQCFKSA-N 1 3 344.477 0.683 20 0 ECADHO COC(=O)[C@@H]1CN(C(=O)NCCNc2cccc(C)n2)CC[N@H+](C)C1 ZINC000927483594 611606607 /nfs/dbraw/zinc/60/66/07/611606607.db2.gz MNXPHRHHNUFGFJ-AWEZNQCLSA-N 1 3 349.435 0.548 20 0 ECADHO COC(=O)[C@@H]1CN(C(=O)NCCNc2cccc(C)n2)CC[N@@H+](C)C1 ZINC000927483594 611606608 /nfs/dbraw/zinc/60/66/08/611606608.db2.gz MNXPHRHHNUFGFJ-AWEZNQCLSA-N 1 3 349.435 0.548 20 0 ECADHO CCO[C@@H](CNC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1)C[NH+](C)C ZINC000932471598 611632153 /nfs/dbraw/zinc/63/21/53/611632153.db2.gz XMBQMUQMPKGSJV-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCOC2(CC[NH+](CCCO)CC2)C1 ZINC000949189350 608660722 /nfs/dbraw/zinc/66/07/22/608660722.db2.gz QWJDCUCFVUXNRD-INIZCTEOSA-N 1 3 339.480 0.547 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@@H+]1C ZINC000933847656 608777432 /nfs/dbraw/zinc/77/74/32/608777432.db2.gz LHOOKRWNWDXEND-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@H+]1C ZINC000933847656 608777434 /nfs/dbraw/zinc/77/74/34/608777434.db2.gz LHOOKRWNWDXEND-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000947512932 608847300 /nfs/dbraw/zinc/84/73/00/608847300.db2.gz ASYOLAMPPYUPTQ-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO CCO[C@@H](CN1C(=O)N[C@@H](CN2CCCCC2)C1=O)C[NH+](C)C ZINC000925235120 608959214 /nfs/dbraw/zinc/95/92/14/608959214.db2.gz JNZSHJJSQPHPLU-KGLIPLIRSA-N 1 3 326.441 0.359 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCOC2(CC[NH+](CCCO)CC2)C1)C1CC1 ZINC000949115090 609058469 /nfs/dbraw/zinc/05/84/69/609058469.db2.gz SAEQLFVSJLJRLA-MRXNPFEDSA-N 1 3 339.480 0.402 20 0 ECADHO C[C@H]1[C@@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CCN1C ZINC000925334490 609698741 /nfs/dbraw/zinc/69/87/41/609698741.db2.gz KVUGLZVHHVOJPF-RDJZCZTQSA-N 1 3 337.512 0.748 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)NCC(C)(C)N1CCCCC1)C(C)C ZINC000910956034 609782716 /nfs/dbraw/zinc/78/27/16/609782716.db2.gz DWBFZIINEWGUMJ-UHFFFAOYSA-N 1 3 326.485 0.824 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911015970 609794899 /nfs/dbraw/zinc/79/48/99/609794899.db2.gz UMLZWAFKSQQGLZ-IAOVAPTHSA-N 1 3 344.459 0.575 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911015970 609794902 /nfs/dbraw/zinc/79/49/02/609794902.db2.gz UMLZWAFKSQQGLZ-IAOVAPTHSA-N 1 3 344.459 0.575 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911054186 609795444 /nfs/dbraw/zinc/79/54/44/609795444.db2.gz GOTPJIPRPRSPRG-IIDMSEBBSA-N 1 3 336.480 0.625 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911055761 609795847 /nfs/dbraw/zinc/79/58/47/609795847.db2.gz PEOZQOFDRIBGSX-OAGGEKHMSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911091439 609802607 /nfs/dbraw/zinc/80/26/07/609802607.db2.gz QFFPROHLTWCGET-INIZCTEOSA-N 1 3 346.475 0.867 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911161546 609817850 /nfs/dbraw/zinc/81/78/50/609817850.db2.gz LRVUTONHBUGDAN-YJBOKZPZSA-N 1 3 336.480 0.564 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911223265 609829126 /nfs/dbraw/zinc/82/91/26/609829126.db2.gz NEEDYLSHRWTWCQ-MAUKXSAKSA-N 1 3 334.464 0.332 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911325337 609848523 /nfs/dbraw/zinc/84/85/23/609848523.db2.gz RCEZCXHFWXKCSQ-IIDMSEBBSA-N 1 3 334.464 0.474 20 0 ECADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543877 609851372 /nfs/dbraw/zinc/85/13/72/609851372.db2.gz FALRJRKIOQKUJL-MRXNPFEDSA-N 1 3 336.480 0.483 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000911358469 609855856 /nfs/dbraw/zinc/85/58/56/609855856.db2.gz YBMAKLOBBMSAQQ-AWEZNQCLSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545292 609859831 /nfs/dbraw/zinc/85/98/31/609859831.db2.gz ARIXQEPLCKLBML-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545292 609859833 /nfs/dbraw/zinc/85/98/33/609859833.db2.gz ARIXQEPLCKLBML-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545291 609859866 /nfs/dbraw/zinc/85/98/66/609859866.db2.gz ARIXQEPLCKLBML-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545291 609859867 /nfs/dbraw/zinc/85/98/67/609859867.db2.gz ARIXQEPLCKLBML-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911492162 609883392 /nfs/dbraw/zinc/88/33/92/609883392.db2.gz AZQPDFJCOBEGQE-KGLIPLIRSA-N 1 3 336.436 0.413 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517655 609890513 /nfs/dbraw/zinc/89/05/13/609890513.db2.gz XEGVGWZEYCCHFD-IAOVAPTHSA-N 1 3 344.459 0.575 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517655 609890515 /nfs/dbraw/zinc/89/05/15/609890515.db2.gz XEGVGWZEYCCHFD-IAOVAPTHSA-N 1 3 344.459 0.575 20 0 ECADHO COc1ccccc1[C@H](N)CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911667744 609904994 /nfs/dbraw/zinc/90/49/94/609904994.db2.gz RPJZZCJKOAHRIO-DYVFJYSZSA-N 1 3 332.404 0.710 20 0 ECADHO COC(=O)c1nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000912303928 609945515 /nfs/dbraw/zinc/94/55/15/609945515.db2.gz NAIFQWRTWFZPTE-NSHDSACASA-N 1 3 342.465 0.932 20 0 ECADHO COC(=O)c1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000912303928 609945519 /nfs/dbraw/zinc/94/55/19/609945519.db2.gz NAIFQWRTWFZPTE-NSHDSACASA-N 1 3 342.465 0.932 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000912375799 609952413 /nfs/dbraw/zinc/95/24/13/609952413.db2.gz ZHHOJJBMLOZXLS-KRWDZBQOSA-N 1 3 327.469 0.572 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000912375799 609952415 /nfs/dbraw/zinc/95/24/15/609952415.db2.gz ZHHOJJBMLOZXLS-KRWDZBQOSA-N 1 3 327.469 0.572 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000938915934 610043064 /nfs/dbraw/zinc/04/30/64/610043064.db2.gz PYEAEYVOQWRTAH-CVEARBPZSA-N 1 3 338.496 0.728 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)N2CCC(C)(N3CCOCC3)CC2)C1 ZINC000913152190 610043350 /nfs/dbraw/zinc/04/33/50/610043350.db2.gz MAGZWNPWJGJWES-UHFFFAOYSA-N 1 3 338.496 0.193 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)N2CCC(C)(N3CCOCC3)CC2)C1 ZINC000913152190 610043353 /nfs/dbraw/zinc/04/33/53/610043353.db2.gz MAGZWNPWJGJWES-UHFFFAOYSA-N 1 3 338.496 0.193 20 0 ECADHO CCn1nncc1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939053514 610073689 /nfs/dbraw/zinc/07/36/89/610073689.db2.gz AHKJEBATTUPRBQ-CZUORRHYSA-N 1 3 334.468 0.576 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000939696366 610088751 /nfs/dbraw/zinc/08/87/51/610088751.db2.gz VBPJJAUSPUXCAW-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1cnnn1C ZINC000939258931 610132840 /nfs/dbraw/zinc/13/28/40/610132840.db2.gz SMAJSFCGSAEXRM-CZUORRHYSA-N 1 3 334.468 0.484 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1)C1CC1 ZINC000941437089 610314703 /nfs/dbraw/zinc/31/47/03/610314703.db2.gz RLAZOWXIKUEAPZ-SFHVURJKSA-N 1 3 334.508 0.955 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000941639092 610424036 /nfs/dbraw/zinc/42/40/36/610424036.db2.gz ONUGQBZPBQZBRX-AEFFLSMTSA-N 1 3 348.491 0.674 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000940952014 610444892 /nfs/dbraw/zinc/44/48/92/610444892.db2.gz IHVKUPLKOJRYCL-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000940952014 610444894 /nfs/dbraw/zinc/44/48/94/610444894.db2.gz IHVKUPLKOJRYCL-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[N@H+](CCn2cncn2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558365 610510994 /nfs/dbraw/zinc/51/09/94/610510994.db2.gz VVYDDITVZIEZAZ-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558365 610510996 /nfs/dbraw/zinc/51/09/96/610510996.db2.gz VVYDDITVZIEZAZ-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942798981 610626460 /nfs/dbraw/zinc/62/64/60/610626460.db2.gz QVUDESODBNFPDL-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942798981 610626463 /nfs/dbraw/zinc/62/64/63/610626463.db2.gz QVUDESODBNFPDL-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC000944086059 611120048 /nfs/dbraw/zinc/12/00/48/611120048.db2.gz DSDRGOYDJPDTLO-MRXNPFEDSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000944104670 611126069 /nfs/dbraw/zinc/12/60/69/611126069.db2.gz OFSDUDZHCPFOPW-KLHDSHLOSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000944104670 611126070 /nfs/dbraw/zinc/12/60/70/611126070.db2.gz OFSDUDZHCPFOPW-KLHDSHLOSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1CC2(C1)OCCO2 ZINC000923198191 611213595 /nfs/dbraw/zinc/21/35/95/611213595.db2.gz FKDVBWUCIFXVQP-AWEZNQCLSA-N 1 3 342.484 0.711 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1CC2(C1)OCCO2 ZINC000923198191 611213596 /nfs/dbraw/zinc/21/35/96/611213596.db2.gz FKDVBWUCIFXVQP-AWEZNQCLSA-N 1 3 342.484 0.711 20 0 ECADHO CCOC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000923198529 611213721 /nfs/dbraw/zinc/21/37/21/611213721.db2.gz IFJXEABSNJEOPT-LSDHHAIUSA-N 1 3 342.484 0.853 20 0 ECADHO CCOC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000923198529 611213723 /nfs/dbraw/zinc/21/37/23/611213723.db2.gz IFJXEABSNJEOPT-LSDHHAIUSA-N 1 3 342.484 0.853 20 0 ECADHO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301427 611226669 /nfs/dbraw/zinc/22/66/69/611226669.db2.gz HIFFESZWEWKNOV-JSGCOSHPSA-N 1 3 339.461 0.705 20 0 ECADHO CCOCCCNC(=O)[C@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452871 611245845 /nfs/dbraw/zinc/24/58/45/611245845.db2.gz IWXQMKSQVZOAIA-GJZGRUSLSA-N 1 3 327.469 0.748 20 0 ECADHO O=S(=O)(NCC1CC[N@@H+]1C1CCOCC1)N1CC2CCC1C2 ZINC000921911074 611325525 /nfs/dbraw/zinc/32/55/25/611325525.db2.gz FDRQTNOTBWLQLI-AEGPPILISA-N 1 3 329.466 0.558 20 0 ECADHO O=S(=O)(NCC1CC[N@H+]1C1CCOCC1)N1CC2CCC1C2 ZINC000921911074 611325526 /nfs/dbraw/zinc/32/55/26/611325526.db2.gz FDRQTNOTBWLQLI-AEGPPILISA-N 1 3 329.466 0.558 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCN1CCNC1=O ZINC000947935585 611747190 /nfs/dbraw/zinc/74/71/90/611747190.db2.gz RWNDVOMRSDDJOW-GJZGRUSLSA-N 1 3 349.479 0.077 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951241607 612099110 /nfs/dbraw/zinc/09/91/10/612099110.db2.gz RUGBYRVMEOFPNZ-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000952149611 612248477 /nfs/dbraw/zinc/24/84/77/612248477.db2.gz UEXKZCJHMKHCTC-ZDUSSCGKSA-N 1 3 331.420 0.155 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000952151239 612250574 /nfs/dbraw/zinc/25/05/74/612250574.db2.gz GRDISHDJOSXONO-GOEBONIOSA-N 1 3 345.447 0.401 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954502540 612337293 /nfs/dbraw/zinc/33/72/93/612337293.db2.gz ICZAZVKGWKCGTE-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000954502540 612337298 /nfs/dbraw/zinc/33/72/98/612337298.db2.gz ICZAZVKGWKCGTE-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000953905218 612421378 /nfs/dbraw/zinc/42/13/78/612421378.db2.gz UHPUSGDNIHQVEQ-DLBZAZTESA-N 1 3 348.491 0.624 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000955341455 612464557 /nfs/dbraw/zinc/46/45/57/612464557.db2.gz PMYZQIPFMBZJOW-AWEZNQCLSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000955349027 612480819 /nfs/dbraw/zinc/48/08/19/612480819.db2.gz HRJGJMQBZUCRHQ-UKRRQHHQSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000955349027 612480822 /nfs/dbraw/zinc/48/08/22/612480822.db2.gz HRJGJMQBZUCRHQ-UKRRQHHQSA-N 1 3 336.480 0.338 20 0 ECADHO CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954652351 612494185 /nfs/dbraw/zinc/49/41/85/612494185.db2.gz MHYORVOHUVSZRQ-GOEBONIOSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954652351 612494190 /nfs/dbraw/zinc/49/41/90/612494190.db2.gz MHYORVOHUVSZRQ-GOEBONIOSA-N 1 3 345.447 0.638 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000955929747 612498242 /nfs/dbraw/zinc/49/82/42/612498242.db2.gz MOBNNVWUYFOJHP-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000955443968 612592209 /nfs/dbraw/zinc/59/22/09/612592209.db2.gz NOVWZSGGLCHIDE-UHFFFAOYSA-N 1 3 333.436 0.497 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000954276737 612818271 /nfs/dbraw/zinc/81/82/71/612818271.db2.gz UQJQTXULHPRDOA-HZPDHXFCSA-N 1 3 338.496 0.869 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000954276737 612818274 /nfs/dbraw/zinc/81/82/74/612818274.db2.gz UQJQTXULHPRDOA-HZPDHXFCSA-N 1 3 338.496 0.869 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000954319732 612849290 /nfs/dbraw/zinc/84/92/90/612849290.db2.gz DRLQPZVVAPRJKI-RDJZCZTQSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000954319732 612849292 /nfs/dbraw/zinc/84/92/92/612849292.db2.gz DRLQPZVVAPRJKI-RDJZCZTQSA-N 1 3 348.491 0.768 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000956426425 612879728 /nfs/dbraw/zinc/87/97/28/612879728.db2.gz GVWCFTWSOGHQJI-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO CN1CCN(c2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nn2)CC1 ZINC001165037935 721902168 /nfs/dbraw/zinc/90/21/68/721902168.db2.gz OKFXOQFCUCCJED-MRXNPFEDSA-N 1 3 346.479 0.529 20 0 ECADHO CN1CCC[C@H](N[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000969197984 731584351 /nfs/dbraw/zinc/58/43/51/731584351.db2.gz UHCNNTRDILQBQX-CABCVRRESA-N 1 3 334.464 0.426 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1)N(C)C ZINC000969990655 732597186 /nfs/dbraw/zinc/59/71/86/732597186.db2.gz XOHHBQZTRKXRKM-CVEARBPZSA-N 1 3 332.448 0.816 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@]2(CC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001041831217 782295702 /nfs/dbraw/zinc/29/57/02/782295702.db2.gz LHUNAJLRKPSHEG-GOSISDBHSA-N 1 3 349.479 0.032 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001041831217 782295707 /nfs/dbraw/zinc/29/57/07/782295707.db2.gz LHUNAJLRKPSHEG-GOSISDBHSA-N 1 3 349.479 0.032 20 0 ECADHO C[C@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1)C(=O)N(C)C ZINC001167225722 733069282 /nfs/dbraw/zinc/06/92/82/733069282.db2.gz YJENJJAWOMHXQK-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001167225749 733069514 /nfs/dbraw/zinc/06/95/14/733069514.db2.gz ZNAKEVISNKWSQZ-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240959 733087694 /nfs/dbraw/zinc/08/76/94/733087694.db2.gz XINIYNZMEYQSIM-AWEZNQCLSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000970446465 733544037 /nfs/dbraw/zinc/54/40/37/733544037.db2.gz BRCRRXXKLWOSCZ-IAGOWNOFSA-N 1 3 348.491 0.578 20 0 ECADHO NC(=O)c1cccc(CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC000970490399 733609624 /nfs/dbraw/zinc/60/96/24/733609624.db2.gz RANNBTSDSBCLKT-MRXNPFEDSA-N 1 3 342.443 0.572 20 0 ECADHO O=C(N1CC[C@@H](N[C@@H]2CCN(C3CCC3)C2=O)C1)C12CC[NH+](CC1)C2 ZINC000970494486 733612942 /nfs/dbraw/zinc/61/29/42/733612942.db2.gz RVUQAYLLPDBVDY-GDBMZVCRSA-N 1 3 346.475 0.426 20 0 ECADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104288385 733740734 /nfs/dbraw/zinc/74/07/34/733740734.db2.gz YGDOUAQGDNTAJG-OAGGEKHMSA-N 1 3 341.496 0.552 20 0 ECADHO CC1CCN(C(=O)CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000970712765 733860534 /nfs/dbraw/zinc/86/05/34/733860534.db2.gz ROQAITDGRHXXCG-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(C(=O)CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000970712765 733860536 /nfs/dbraw/zinc/86/05/36/733860536.db2.gz ROQAITDGRHXXCG-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c1 ZINC000970785817 733938625 /nfs/dbraw/zinc/93/86/25/733938625.db2.gz GHTVFQNHHBJSFS-HZPDHXFCSA-N 1 3 330.432 0.441 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104294413 734016575 /nfs/dbraw/zinc/01/65/75/734016575.db2.gz OHPNDFPVPHKDRU-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001104294313 734017029 /nfs/dbraw/zinc/01/70/29/734017029.db2.gz JAZATIKCOPWFMK-IIAWOOMASA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001167385663 734113377 /nfs/dbraw/zinc/11/33/77/734113377.db2.gz NHLDZFYQHMYBOZ-GJZGRUSLSA-N 1 3 338.496 0.999 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCc3ccccc3)C[C@H]2O)C1 ZINC001078175794 782433011 /nfs/dbraw/zinc/43/30/11/782433011.db2.gz MOZKMSUIKVQUIF-KZNAEPCWSA-N 1 3 331.460 0.732 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCc3ccccc3)C[C@H]2O)C1 ZINC001078175794 782433018 /nfs/dbraw/zinc/43/30/18/782433018.db2.gz MOZKMSUIKVQUIF-KZNAEPCWSA-N 1 3 331.460 0.732 20 0 ECADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971543999 734736582 /nfs/dbraw/zinc/73/65/82/734736582.db2.gz VOXINJDTTHPPHB-DLBZAZTESA-N 1 3 331.464 0.758 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCN2CCCC2=O)CC1 ZINC001167480543 734821496 /nfs/dbraw/zinc/82/14/96/734821496.db2.gz KJFCZJBWACDFKM-UHFFFAOYSA-N 1 3 338.496 0.827 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000971667017 734932347 /nfs/dbraw/zinc/93/23/47/734932347.db2.gz HFOOONUNMDTWGK-IRXDYDNUSA-N 1 3 348.495 0.789 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000971667017 734932350 /nfs/dbraw/zinc/93/23/50/734932350.db2.gz HFOOONUNMDTWGK-IRXDYDNUSA-N 1 3 348.495 0.789 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3cnn(C)c3)C2)C1 ZINC000972170911 735753735 /nfs/dbraw/zinc/75/37/35/735753735.db2.gz BREZNPXXHKRBPC-IAGOWNOFSA-N 1 3 349.479 0.562 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cnn(C)c3)C2)C1 ZINC000972170911 735753737 /nfs/dbraw/zinc/75/37/37/735753737.db2.gz BREZNPXXHKRBPC-IAGOWNOFSA-N 1 3 349.479 0.562 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC000972333868 735959353 /nfs/dbraw/zinc/95/93/53/735959353.db2.gz YDIXFNUQBFGBCU-NVXWUHKLSA-N 1 3 333.480 0.980 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC000972333868 735959354 /nfs/dbraw/zinc/95/93/54/735959354.db2.gz YDIXFNUQBFGBCU-NVXWUHKLSA-N 1 3 333.480 0.980 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCc3ccnn3C)C2)C1 ZINC000972335983 735963490 /nfs/dbraw/zinc/96/34/90/735963490.db2.gz TXLAYCABKZFSQC-NVXWUHKLSA-N 1 3 333.480 0.837 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccnn3C)C2)C1 ZINC000972335983 735963492 /nfs/dbraw/zinc/96/34/92/735963492.db2.gz TXLAYCABKZFSQC-NVXWUHKLSA-N 1 3 333.480 0.837 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001023084680 736474173 /nfs/dbraw/zinc/47/41/73/736474173.db2.gz WISMHCWXWQMXOD-YUELXQCFSA-N 1 3 333.436 0.482 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001023084680 736474174 /nfs/dbraw/zinc/47/41/74/736474174.db2.gz WISMHCWXWQMXOD-YUELXQCFSA-N 1 3 333.436 0.482 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)c1 ZINC001023126265 736522042 /nfs/dbraw/zinc/52/20/42/736522042.db2.gz PVAKPRITJVDDIV-BBWFWOEESA-N 1 3 344.459 0.877 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)Cc1c[nH]cn1 ZINC001067487802 736624936 /nfs/dbraw/zinc/62/49/36/736624936.db2.gz YRRXDPHNRMSCFG-INIZCTEOSA-N 1 3 347.463 0.601 20 0 ECADHO O=C(NC[C@H]1CCCN(CCn2cncn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001023371572 736750837 /nfs/dbraw/zinc/75/08/37/736750837.db2.gz BRNLVPSIWHYDOO-WBVHZDCISA-N 1 3 346.479 0.448 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001023559910 737011365 /nfs/dbraw/zinc/01/13/65/737011365.db2.gz GUEGHJIZJYCOQG-HIFRSBDPSA-N 1 3 348.447 0.672 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001023559910 737011369 /nfs/dbraw/zinc/01/13/69/737011369.db2.gz GUEGHJIZJYCOQG-HIFRSBDPSA-N 1 3 348.447 0.672 20 0 ECADHO CN1CCC[C@H](N2CCC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001023703676 737213755 /nfs/dbraw/zinc/21/37/55/737213755.db2.gz QHFBHXWUEZVNOV-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H](C(N)=O)N1CCC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706995 737223614 /nfs/dbraw/zinc/22/36/14/737223614.db2.gz GBGDPIXQBGVDHI-QWHCGFSZSA-N 1 3 333.436 0.463 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706995 737223620 /nfs/dbraw/zinc/22/36/20/737223620.db2.gz GBGDPIXQBGVDHI-QWHCGFSZSA-N 1 3 333.436 0.463 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706995 737223627 /nfs/dbraw/zinc/22/36/27/737223627.db2.gz GBGDPIXQBGVDHI-QWHCGFSZSA-N 1 3 333.436 0.463 20 0 ECADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001087256689 737407996 /nfs/dbraw/zinc/40/79/96/737407996.db2.gz FXTRYTPHYDJKFI-CQSZACIVSA-N 1 3 333.436 0.638 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)n1 ZINC001087257849 737414627 /nfs/dbraw/zinc/41/46/27/737414627.db2.gz LGSRYNPPJLQKFZ-KBPBESRZSA-N 1 3 333.436 0.925 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)n1 ZINC001087257849 737414632 /nfs/dbraw/zinc/41/46/32/737414632.db2.gz LGSRYNPPJLQKFZ-KBPBESRZSA-N 1 3 333.436 0.925 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001024017580 737621512 /nfs/dbraw/zinc/62/15/12/737621512.db2.gz GSKQFEBHMZGYBR-PBHICJAKSA-N 1 3 348.495 0.966 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001024017587 737621665 /nfs/dbraw/zinc/62/16/65/737621665.db2.gz GSKQFEBHMZGYBR-YOEHRIQHSA-N 1 3 348.495 0.966 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001024018341 737623674 /nfs/dbraw/zinc/62/36/74/737623674.db2.gz MVBJPDOTOMRYKC-CJNGLKHVSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067466716 737630280 /nfs/dbraw/zinc/63/02/80/737630280.db2.gz GKSKIFPCVRDYHK-JKSUJKDBSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067466716 737630284 /nfs/dbraw/zinc/63/02/84/737630284.db2.gz GKSKIFPCVRDYHK-JKSUJKDBSA-N 1 3 338.496 0.587 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)n1 ZINC001087261043 737673576 /nfs/dbraw/zinc/67/35/76/737673576.db2.gz PWQAGQBFGAVGCL-KGLIPLIRSA-N 1 3 333.436 0.925 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)n1 ZINC001087261043 737673580 /nfs/dbraw/zinc/67/35/80/737673580.db2.gz PWQAGQBFGAVGCL-KGLIPLIRSA-N 1 3 333.436 0.925 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNCc3cn(C)nn3)C2)C1 ZINC001024156491 737783635 /nfs/dbraw/zinc/78/36/35/737783635.db2.gz OWRLPOUPZHEAJG-CABCVRRESA-N 1 3 334.468 0.485 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNCc3cn(C)nn3)C2)C1 ZINC001024156491 737783637 /nfs/dbraw/zinc/78/36/37/737783637.db2.gz OWRLPOUPZHEAJG-CABCVRRESA-N 1 3 334.468 0.485 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001024238100 737844873 /nfs/dbraw/zinc/84/48/73/737844873.db2.gz HWRHPTQLAOAQIK-HNNXBMFYSA-N 1 3 346.479 0.722 20 0 ECADHO COc1nccc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001024263979 737871194 /nfs/dbraw/zinc/87/11/94/737871194.db2.gz LDUJBVAKTSUWQJ-HUUCEWRRSA-N 1 3 347.463 0.765 20 0 ECADHO COc1nccc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024263979 737871195 /nfs/dbraw/zinc/87/11/95/737871195.db2.gz LDUJBVAKTSUWQJ-HUUCEWRRSA-N 1 3 347.463 0.765 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001006460166 751410141 /nfs/dbraw/zinc/41/01/41/751410141.db2.gz ZLSYTNIIVKVXNV-HUUCEWRRSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001104676440 739457218 /nfs/dbraw/zinc/45/72/18/739457218.db2.gz KHAOGJRHJRJDMX-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001104679623 739461927 /nfs/dbraw/zinc/46/19/27/739461927.db2.gz LRIBUJXNWOJITN-BRWVUGGUSA-N 1 3 341.496 0.411 20 0 ECADHO CCn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC001026043976 740327603 /nfs/dbraw/zinc/32/76/03/740327603.db2.gz IOGHSERKLGCAOO-WJNMYVKJSA-N 1 3 345.491 0.690 20 0 ECADHO CCn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC001026043976 740327609 /nfs/dbraw/zinc/32/76/09/740327609.db2.gz IOGHSERKLGCAOO-WJNMYVKJSA-N 1 3 345.491 0.690 20 0 ECADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001026044173 740328390 /nfs/dbraw/zinc/32/83/90/740328390.db2.gz KSQNHKNBCHZCOA-QICMWSIFSA-N 1 3 346.479 0.139 20 0 ECADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001026044173 740328395 /nfs/dbraw/zinc/32/83/95/740328395.db2.gz KSQNHKNBCHZCOA-QICMWSIFSA-N 1 3 346.479 0.139 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099908 740374365 /nfs/dbraw/zinc/37/43/65/740374365.db2.gz LNWOJBRVOCTOQC-FIDHJVLJSA-N 1 3 344.463 0.341 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099908 740374367 /nfs/dbraw/zinc/37/43/67/740374367.db2.gz LNWOJBRVOCTOQC-FIDHJVLJSA-N 1 3 344.463 0.341 20 0 ECADHO C[C@@H](NCC1(CCNC(=O)COCC[NH+](C)C)CC1)c1cnccn1 ZINC001167732651 740546519 /nfs/dbraw/zinc/54/65/19/740546519.db2.gz LEVIBZBBGJGCIQ-OAHLLOKOSA-N 1 3 349.479 0.992 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001078234822 782534760 /nfs/dbraw/zinc/53/47/60/782534760.db2.gz QPLWOUWRZCEDRL-ZMSDIMECSA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001078234822 782534767 /nfs/dbraw/zinc/53/47/67/782534767.db2.gz QPLWOUWRZCEDRL-ZMSDIMECSA-N 1 3 340.512 0.925 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCn3cncn3)[C@@H]2C1)C1CCC1 ZINC001026283182 740741850 /nfs/dbraw/zinc/74/18/50/740741850.db2.gz DBGAYJSMCOYSCB-USXIJHARSA-N 1 3 346.479 0.589 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000974148240 741008513 /nfs/dbraw/zinc/00/85/13/741008513.db2.gz OQHONFYMCULAOT-JONQDZQNSA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000974148240 741008516 /nfs/dbraw/zinc/00/85/16/741008516.db2.gz OQHONFYMCULAOT-JONQDZQNSA-N 1 3 336.480 0.576 20 0 ECADHO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]23)cn1 ZINC001026364932 741065127 /nfs/dbraw/zinc/06/51/27/741065127.db2.gz OFWGHTYRDZZXAR-FVQBIDKESA-N 1 3 328.420 0.713 20 0 ECADHO Cn1cnnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]12 ZINC001026400453 741235251 /nfs/dbraw/zinc/23/52/51/741235251.db2.gz JXXNLGOELAEHBE-QLFBSQMISA-N 1 3 344.463 0.238 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)CN1CC[C@H](C)C1)[NH+](C)C ZINC001078238157 782538569 /nfs/dbraw/zinc/53/85/69/782538569.db2.gz FTJXQWLPHHDLBQ-YQQAZPJKSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](O)CN1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974591707 741927133 /nfs/dbraw/zinc/92/71/33/741927133.db2.gz DVJDEEFCHJDESY-ZFWWWQNUSA-N 1 3 337.468 0.266 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)C1CCC1 ZINC001026890585 742031944 /nfs/dbraw/zinc/03/19/44/742031944.db2.gz LQIRKESWFYAYOE-INIZCTEOSA-N 1 3 346.475 0.808 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)C1 ZINC001020499706 751706684 /nfs/dbraw/zinc/70/66/84/751706684.db2.gz AIHYKKJRFYOABK-RBSFLKMASA-N 1 3 334.468 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)C1 ZINC001020499706 751706691 /nfs/dbraw/zinc/70/66/91/751706691.db2.gz AIHYKKJRFYOABK-RBSFLKMASA-N 1 3 334.468 0.674 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027063535 742431063 /nfs/dbraw/zinc/43/10/63/742431063.db2.gz NEFRHXLJMYUVSM-CABCVRRESA-N 1 3 334.468 0.720 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)nn1 ZINC001027063925 742432533 /nfs/dbraw/zinc/43/25/33/742432533.db2.gz VPSSCDNFIADCHI-LSDHHAIUSA-N 1 3 347.463 0.908 20 0 ECADHO CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091147 742523760 /nfs/dbraw/zinc/52/37/60/742523760.db2.gz FEYMDPVJKZFYIG-DZGCQCFKSA-N 1 3 347.463 0.790 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)n1 ZINC000997003522 743116418 /nfs/dbraw/zinc/11/64/18/743116418.db2.gz BPTIIQAYSAXAGI-AWEZNQCLSA-N 1 3 348.495 0.817 20 0 ECADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1=O ZINC000997008784 743122981 /nfs/dbraw/zinc/12/29/81/743122981.db2.gz XEEWSGHGKJTTJU-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001027234688 743248514 /nfs/dbraw/zinc/24/85/14/743248514.db2.gz CEVVPURZXNCVKU-GDBMZVCRSA-N 1 3 334.468 0.628 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997299880 743462691 /nfs/dbraw/zinc/46/26/91/743462691.db2.gz QVQCCGFLYYOJSV-AWEZNQCLSA-N 1 3 331.464 0.862 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997299880 743462694 /nfs/dbraw/zinc/46/26/94/743462694.db2.gz QVQCCGFLYYOJSV-AWEZNQCLSA-N 1 3 331.464 0.862 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000997367330 743538582 /nfs/dbraw/zinc/53/85/82/743538582.db2.gz ZTJSBGPCVVYGCP-INIZCTEOSA-N 1 3 334.468 0.733 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001020586735 751844174 /nfs/dbraw/zinc/84/41/74/751844174.db2.gz XOYZDZGATTVGQH-LXTVHRRPSA-N 1 3 343.493 0.142 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1=O ZINC001020590434 751854874 /nfs/dbraw/zinc/85/48/74/751854874.db2.gz WKQFBBNGBVGYTP-RGCMKSIDSA-N 1 3 349.431 0.583 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc1=O ZINC001020590434 751854886 /nfs/dbraw/zinc/85/48/86/751854886.db2.gz WKQFBBNGBVGYTP-RGCMKSIDSA-N 1 3 349.431 0.583 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001020592656 751864441 /nfs/dbraw/zinc/86/44/41/751864441.db2.gz LGILCVPPZOWHHS-FMKGYKFTSA-N 1 3 332.452 0.617 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001020592656 751864447 /nfs/dbraw/zinc/86/44/47/751864447.db2.gz LGILCVPPZOWHHS-FMKGYKFTSA-N 1 3 332.452 0.617 20 0 ECADHO CCn1cc(CNCC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nn1 ZINC000998081314 743966541 /nfs/dbraw/zinc/96/65/41/743966541.db2.gz ISOKAYQXLJFPBE-OAHLLOKOSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNCC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)nn1 ZINC000998081314 743966544 /nfs/dbraw/zinc/96/65/44/743966544.db2.gz ISOKAYQXLJFPBE-OAHLLOKOSA-N 1 3 348.495 0.968 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000998082400 743967903 /nfs/dbraw/zinc/96/79/03/743967903.db2.gz OSJGHKLWQMTZAX-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC000998082189 743967955 /nfs/dbraw/zinc/96/79/55/743967955.db2.gz OEIPGTOWBJESNO-GDBMZVCRSA-N 1 3 336.480 0.435 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)C1CCC1 ZINC000998271373 744090261 /nfs/dbraw/zinc/09/02/61/744090261.db2.gz XAEHGVHKUDFWHR-CHWSQXEVSA-N 1 3 337.386 0.832 20 0 ECADHO O=C(N1CC[C@@H](C(F)(F)F)[C@H](NCCO)C1)C12CC[NH+](CC1)C2 ZINC000998306572 744110928 /nfs/dbraw/zinc/11/09/28/744110928.db2.gz VCYTYSAETIXZEP-VXGBXAGGSA-N 1 3 335.370 0.444 20 0 ECADHO COc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)c(C)n1 ZINC000998553340 744223750 /nfs/dbraw/zinc/22/37/50/744223750.db2.gz WGJKPRJOTJZJDS-GPANFISMSA-N 1 3 347.463 0.967 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1)N(C)C ZINC000998934694 744413900 /nfs/dbraw/zinc/41/39/00/744413900.db2.gz RMNQDRVRVCEWDJ-MRXNPFEDSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000976872434 744430945 /nfs/dbraw/zinc/43/09/45/744430945.db2.gz ZDVQMSPPDLWJGE-FXUDXRNXSA-N 1 3 348.491 0.241 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N2CCCC2)C1 ZINC000976947570 744520766 /nfs/dbraw/zinc/52/07/66/744520766.db2.gz NEGXGQSCVRDTQY-CAOSSQGBSA-N 1 3 348.491 0.386 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N2CCCC2)C1 ZINC000976947570 744520768 /nfs/dbraw/zinc/52/07/68/744520768.db2.gz NEGXGQSCVRDTQY-CAOSSQGBSA-N 1 3 348.491 0.386 20 0 ECADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999161186 744542269 /nfs/dbraw/zinc/54/22/69/744542269.db2.gz HQNFSHPHHXXSBS-GJZGRUSLSA-N 1 3 336.480 0.707 20 0 ECADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999161186 744542270 /nfs/dbraw/zinc/54/22/70/744542270.db2.gz HQNFSHPHHXXSBS-GJZGRUSLSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(CN[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC000999167624 744545563 /nfs/dbraw/zinc/54/55/63/744545563.db2.gz BMWKGMZJZULVTE-CVEARBPZSA-N 1 3 334.464 0.141 20 0 ECADHO Cn1cc(CN[C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000999171220 744547703 /nfs/dbraw/zinc/54/77/03/744547703.db2.gz UZVJVLAWWPJRLW-DLBZAZTESA-N 1 3 331.464 0.843 20 0 ECADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999407718 744681071 /nfs/dbraw/zinc/68/10/71/744681071.db2.gz FCSWVTKWPUSJPC-PPUFBPAQSA-N 1 3 328.432 0.263 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC000977195913 744747322 /nfs/dbraw/zinc/74/73/22/744747322.db2.gz JCUIBOCUDAJTDY-KATVLWTNSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000999850324 744944110 /nfs/dbraw/zinc/94/41/10/744944110.db2.gz XJICVJMEDNLMJX-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)(C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC000999870388 744971519 /nfs/dbraw/zinc/97/15/19/744971519.db2.gz FXDZBEFHYSFUAE-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999879544 744990551 /nfs/dbraw/zinc/99/05/51/744990551.db2.gz WVPKTRKYZNHTJL-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999879544 744990553 /nfs/dbraw/zinc/99/05/53/744990553.db2.gz WVPKTRKYZNHTJL-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000988387331 751976728 /nfs/dbraw/zinc/97/67/28/751976728.db2.gz GSVPSCBQEHTIKR-ZIAGYGMSSA-N 1 3 333.436 0.211 20 0 ECADHO CN(C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000988387331 751976735 /nfs/dbraw/zinc/97/67/35/751976735.db2.gz GSVPSCBQEHTIKR-ZIAGYGMSSA-N 1 3 333.436 0.211 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nccn3C)C2)C1 ZINC000999998573 745159205 /nfs/dbraw/zinc/15/92/05/745159205.db2.gz MICFFRWFRVVNRK-HOTGVXAUSA-N 1 3 349.479 0.610 20 0 ECADHO Cn1nccc1CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977599703 745280634 /nfs/dbraw/zinc/28/06/34/745280634.db2.gz MRAVPFXRXPZYEA-GDBMZVCRSA-N 1 3 333.480 0.741 20 0 ECADHO Cn1nccc1CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977599703 745280636 /nfs/dbraw/zinc/28/06/36/745280636.db2.gz MRAVPFXRXPZYEA-GDBMZVCRSA-N 1 3 333.480 0.741 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001000197641 745333798 /nfs/dbraw/zinc/33/37/98/745333798.db2.gz JNARVKKTXKCXGQ-OAHLLOKOSA-N 1 3 334.468 0.591 20 0 ECADHO O=C(NC[C@H]1CCCN1C[C@@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001028268443 752013523 /nfs/dbraw/zinc/01/35/23/752013523.db2.gz STIFSNVAOIFYQP-CABCVRRESA-N 1 3 344.463 0.442 20 0 ECADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001000574649 745610337 /nfs/dbraw/zinc/61/03/37/745610337.db2.gz VALBMSXUBKFSKZ-OAHLLOKOSA-N 1 3 349.479 0.612 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001000592831 745622751 /nfs/dbraw/zinc/62/27/51/745622751.db2.gz FFCBOYKEJHPMSI-CVEARBPZSA-N 1 3 336.480 0.576 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1)N(C)C ZINC000977940705 745672953 /nfs/dbraw/zinc/67/29/53/745672953.db2.gz DHCWIKDCGKTCJO-HZPDHXFCSA-N 1 3 338.496 0.728 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)CN(C)C1CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000978068147 745852874 /nfs/dbraw/zinc/85/28/74/745852874.db2.gz LXMRWHCBGVLRDB-INIZCTEOSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCN1CCCF ZINC001088574635 752042770 /nfs/dbraw/zinc/04/27/70/752042770.db2.gz HDXPLQMEVNFASX-KGLIPLIRSA-N 1 3 325.432 0.997 20 0 ECADHO O=C(NCC1=CC[N@H+](CCCF)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001000975481 745945724 /nfs/dbraw/zinc/94/57/24/745945724.db2.gz ILQPRLIMYMTDLH-PQUAAJSLSA-N 1 3 337.439 0.958 20 0 ECADHO O=C(NCC1=CC[N@@H+](CCCF)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001000975481 745945729 /nfs/dbraw/zinc/94/57/29/745945729.db2.gz ILQPRLIMYMTDLH-PQUAAJSLSA-N 1 3 337.439 0.958 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001000992584 745958313 /nfs/dbraw/zinc/95/83/13/745958313.db2.gz NTLMYCOJGOUUKC-DZGCQCFKSA-N 1 3 332.448 0.816 20 0 ECADHO CN1CC[C@@H](N[C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001000992491 745958362 /nfs/dbraw/zinc/95/83/62/745958362.db2.gz MEKYWPMHCSWSGC-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001059352408 746189176 /nfs/dbraw/zinc/18/91/76/746189176.db2.gz VMZOCLXPKKSCME-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO Cn1ccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1=O ZINC001001451927 746390402 /nfs/dbraw/zinc/39/04/02/746390402.db2.gz PATLGMPJAJSUCX-QGZVFWFLSA-N 1 3 344.459 0.585 20 0 ECADHO Cn1ccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1=O ZINC001001451927 746390407 /nfs/dbraw/zinc/39/04/07/746390407.db2.gz PATLGMPJAJSUCX-QGZVFWFLSA-N 1 3 344.459 0.585 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978840354 746766653 /nfs/dbraw/zinc/76/66/53/746766653.db2.gz NCKMQSJZVZMIMZ-WCVJEAGWSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000978840354 746766658 /nfs/dbraw/zinc/76/66/58/746766658.db2.gz NCKMQSJZVZMIMZ-WCVJEAGWSA-N 1 3 336.480 0.433 20 0 ECADHO CCN1CC[C@H](N2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001002042131 746916535 /nfs/dbraw/zinc/91/65/35/746916535.db2.gz BFHJSBOJCORLKS-INIZCTEOSA-N 1 3 348.491 0.531 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1)C1CCC1 ZINC001087994976 746957684 /nfs/dbraw/zinc/95/76/84/746957684.db2.gz MRDPGARQGUHWGJ-CVEARBPZSA-N 1 3 346.479 0.543 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1)C1CCC1 ZINC001087994976 746957690 /nfs/dbraw/zinc/95/76/90/746957690.db2.gz MRDPGARQGUHWGJ-CVEARBPZSA-N 1 3 346.479 0.543 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001002083228 746960309 /nfs/dbraw/zinc/96/03/09/746960309.db2.gz JDQSSSNFYOXBRD-WMLDXEAASA-N 1 3 348.491 0.387 20 0 ECADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000985040102 747293491 /nfs/dbraw/zinc/29/34/91/747293491.db2.gz KIFUTPYRBDXQDV-SHTZXODSSA-N 1 3 329.448 0.865 20 0 ECADHO CC(=O)O[C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001211731849 752189062 /nfs/dbraw/zinc/18/90/62/752189062.db2.gz UPNWEXJTCMPMSD-FZMZJTMJSA-N 1 3 329.360 0.396 20 0 ECADHO CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985333100 747737016 /nfs/dbraw/zinc/73/70/16/747737016.db2.gz XHJOKCVFEYELGD-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985333100 747737019 /nfs/dbraw/zinc/73/70/19/747737019.db2.gz XHJOKCVFEYELGD-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](NCc1cnn(C)c1)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979453781 747869370 /nfs/dbraw/zinc/86/93/70/747869370.db2.gz QYBQHELRYBKVID-HOCLYGCPSA-N 1 3 347.463 0.221 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001002851308 747876115 /nfs/dbraw/zinc/87/61/15/747876115.db2.gz GQCSKHBWLKHGEE-RHSMWYFYSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001002851308 747876121 /nfs/dbraw/zinc/87/61/21/747876121.db2.gz GQCSKHBWLKHGEE-RHSMWYFYSA-N 1 3 333.480 0.883 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCn3cncn3)CC2)CC[N@@H+]1C ZINC001002860004 747887705 /nfs/dbraw/zinc/88/77/05/747887705.db2.gz WIPDKAOTDFTEHL-JKSUJKDBSA-N 1 3 334.468 0.589 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCn3cncn3)CC2)CC[N@H+]1C ZINC001002860004 747887713 /nfs/dbraw/zinc/88/77/13/747887713.db2.gz WIPDKAOTDFTEHL-JKSUJKDBSA-N 1 3 334.468 0.589 20 0 ECADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002874359 747907657 /nfs/dbraw/zinc/90/76/57/747907657.db2.gz IDODGZKXASTYJY-DLBZAZTESA-N 1 3 347.463 0.327 20 0 ECADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002874359 747907658 /nfs/dbraw/zinc/90/76/58/747907658.db2.gz IDODGZKXASTYJY-DLBZAZTESA-N 1 3 347.463 0.327 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000985470980 748200845 /nfs/dbraw/zinc/20/08/45/748200845.db2.gz RJLAEFLVKHFEST-HZPDHXFCSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000985470980 748200852 /nfs/dbraw/zinc/20/08/52/748200852.db2.gz RJLAEFLVKHFEST-HZPDHXFCSA-N 1 3 336.480 0.480 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000985497972 748302451 /nfs/dbraw/zinc/30/24/51/748302451.db2.gz YSCROBAHUORUJX-CVEARBPZSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000985497972 748302461 /nfs/dbraw/zinc/30/24/61/748302461.db2.gz YSCROBAHUORUJX-CVEARBPZSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001003301704 748397645 /nfs/dbraw/zinc/39/76/45/748397645.db2.gz NENDPKPDUJFXMZ-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001003631088 748744321 /nfs/dbraw/zinc/74/43/21/748744321.db2.gz RCXPFACPSDUOAJ-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001003631088 748744325 /nfs/dbraw/zinc/74/43/25/748744325.db2.gz RCXPFACPSDUOAJ-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352770 748877982 /nfs/dbraw/zinc/87/79/82/748877982.db2.gz IXHXVHDQURAISZ-WBVHZDCISA-N 1 3 336.480 0.707 20 0 ECADHO O=C(CN[C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC001088414855 749098188 /nfs/dbraw/zinc/09/81/88/749098188.db2.gz RWZCHAAMFJSJGW-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(N(C)CC(N)=O)CC1)[NH+]1CCCCC1 ZINC000985805517 749143977 /nfs/dbraw/zinc/14/39/77/749143977.db2.gz ZOVXDDCMYGHQFN-QGZVFWFLSA-N 1 3 338.496 0.905 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCCCC[C@@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001088431390 749206743 /nfs/dbraw/zinc/20/67/43/749206743.db2.gz SSMUNQKGRRRMAT-WBVHZDCISA-N 1 3 338.496 0.953 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004140926 749250415 /nfs/dbraw/zinc/25/04/15/749250415.db2.gz AHOROKZVVWYLQS-HNNXBMFYSA-N 1 3 334.468 0.427 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004140926 749250420 /nfs/dbraw/zinc/25/04/20/749250420.db2.gz AHOROKZVVWYLQS-HNNXBMFYSA-N 1 3 334.468 0.427 20 0 ECADHO C[NH+](C)CCCC(=O)NCC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001059678688 749398616 /nfs/dbraw/zinc/39/86/16/749398616.db2.gz YCVXEOPVUNKAEX-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)N(C)C ZINC001004393306 749460944 /nfs/dbraw/zinc/46/09/44/749460944.db2.gz ZZQMFPHMJOBDND-FPCVCCKLSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1)C1CC1 ZINC001004456345 749522909 /nfs/dbraw/zinc/52/29/09/749522909.db2.gz DOKVRRSWJPABGW-WBVHZDCISA-N 1 3 336.480 0.515 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1)C1CC1 ZINC001004456345 749522914 /nfs/dbraw/zinc/52/29/14/749522914.db2.gz DOKVRRSWJPABGW-WBVHZDCISA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1C[C@@H](CNCc2ccn(C)n2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766678 750119150 /nfs/dbraw/zinc/11/91/50/750119150.db2.gz FRFDSODTCYIULI-CABCVRRESA-N 1 3 331.464 0.843 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)n1 ZINC000980799808 750191958 /nfs/dbraw/zinc/19/19/58/750191958.db2.gz MAFKVSYUKQDJMH-CABCVRRESA-N 1 3 347.463 0.908 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)C1 ZINC000986764133 750340395 /nfs/dbraw/zinc/34/03/95/750340395.db2.gz CTPYEXNMEIRXTI-ILXRZTDVSA-N 1 3 345.447 0.211 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)C1 ZINC000986764133 750340405 /nfs/dbraw/zinc/34/04/05/750340405.db2.gz CTPYEXNMEIRXTI-ILXRZTDVSA-N 1 3 345.447 0.211 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000981485129 750737624 /nfs/dbraw/zinc/73/76/24/750737624.db2.gz HDMRMAWEMDGUGR-KGLIPLIRSA-N 1 3 348.451 0.303 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC000981485441 750737693 /nfs/dbraw/zinc/73/76/93/750737693.db2.gz IVYHXCMLQQUFPK-GJZGRUSLSA-N 1 3 347.463 0.900 20 0 ECADHO C[C@H]1[C@H](NCc2n[nH]c(C3CC3)n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360459 750755019 /nfs/dbraw/zinc/75/50/19/750755019.db2.gz VCVMLHYMXFSPLW-GXTWGEPZSA-N 1 3 344.463 0.857 20 0 ECADHO Cn1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O ZINC001028316778 752367320 /nfs/dbraw/zinc/36/73/20/752367320.db2.gz VBVMGORJVKSXEY-CVEARBPZSA-N 1 3 332.448 0.418 20 0 ECADHO Cn1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001028316778 752367328 /nfs/dbraw/zinc/36/73/28/752367328.db2.gz VBVMGORJVKSXEY-CVEARBPZSA-N 1 3 332.448 0.418 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001020981043 752397233 /nfs/dbraw/zinc/39/72/33/752397233.db2.gz XZALWBOYAIQTQD-IHRRRGAJSA-N 1 3 333.436 0.414 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001021096464 752537436 /nfs/dbraw/zinc/53/74/36/752537436.db2.gz UKKUBPSMCZHWOP-FPCVCCKLSA-N 1 3 346.479 0.877 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001030019311 752706785 /nfs/dbraw/zinc/70/67/85/752706785.db2.gz MLGLXJQFXZGYNP-ZOBUZTSGSA-N 1 3 348.495 0.932 20 0 ECADHO O=C(NC1C[C@H]2CC[C@@H](C1)N2CCF)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001021328908 752779527 /nfs/dbraw/zinc/77/95/27/752779527.db2.gz MMHODGFJFHGLCL-QNUXYTHOSA-N 1 3 337.439 0.931 20 0 ECADHO O=C(NC1C[C@H]2CC[C@@H](C1)N2CCF)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001021328908 752779532 /nfs/dbraw/zinc/77/95/32/752779532.db2.gz MMHODGFJFHGLCL-QNUXYTHOSA-N 1 3 337.439 0.931 20 0 ECADHO CNC(=O)CN1CC[C@H](CNC(=O)c2sccc2CN(C)C)C1 ZINC001028573027 753186161 /nfs/dbraw/zinc/18/61/61/753186161.db2.gz HRGXJEWTVLOOSP-GFCCVEGCSA-N 1 3 338.477 0.607 20 0 ECADHO CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2sccc2CN(C)C)C1 ZINC001028573027 753186163 /nfs/dbraw/zinc/18/61/63/753186163.db2.gz HRGXJEWTVLOOSP-GFCCVEGCSA-N 1 3 338.477 0.607 20 0 ECADHO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2sccc2CN(C)C)C1 ZINC001028573027 753186166 /nfs/dbraw/zinc/18/61/66/753186166.db2.gz HRGXJEWTVLOOSP-GFCCVEGCSA-N 1 3 338.477 0.607 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001030019536 753390150 /nfs/dbraw/zinc/39/01/50/753390150.db2.gz VJZVIPGNLJXLHM-HRCADAONSA-N 1 3 338.496 0.917 20 0 ECADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001008363357 753658952 /nfs/dbraw/zinc/65/89/52/753658952.db2.gz HVDVCADSXOQIEP-AWEZNQCLSA-N 1 3 345.447 0.401 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000982926018 754214764 /nfs/dbraw/zinc/21/47/64/754214764.db2.gz NYYXYZWRBFLPDW-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CC[C@H](N2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028655960 754319552 /nfs/dbraw/zinc/31/95/52/754319552.db2.gz BFMCYGLCXOPPED-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO CC(=O)N1CCOC[C@]2(CN(C3CCC([NH+](C)C)CC3)CCO2)C1 ZINC001168321087 754504577 /nfs/dbraw/zinc/50/45/77/754504577.db2.gz DCASGXACGDJMKK-DAWZGUTISA-N 1 3 339.480 0.809 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105661180 755338319 /nfs/dbraw/zinc/33/83/19/755338319.db2.gz FTWTWLILFOGBHD-XYVMCAHJSA-N 1 3 341.496 0.287 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000983368742 755432147 /nfs/dbraw/zinc/43/21/47/755432147.db2.gz KCIQOEXVJHDWDX-XJKSGUPXSA-N 1 3 345.447 0.259 20 0 ECADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@@H](O)C1 ZINC001083522997 755890468 /nfs/dbraw/zinc/89/04/68/755890468.db2.gz HLLFNFHGMVNAMD-IKGGRYGDSA-N 1 3 339.480 0.447 20 0 ECADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@@H](O)C1 ZINC001083522997 755890471 /nfs/dbraw/zinc/89/04/71/755890471.db2.gz HLLFNFHGMVNAMD-IKGGRYGDSA-N 1 3 339.480 0.447 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522997 755890475 /nfs/dbraw/zinc/89/04/75/755890475.db2.gz HLLFNFHGMVNAMD-IKGGRYGDSA-N 1 3 339.480 0.447 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522997 755890481 /nfs/dbraw/zinc/89/04/81/755890481.db2.gz HLLFNFHGMVNAMD-IKGGRYGDSA-N 1 3 339.480 0.447 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051615960 762481606 /nfs/dbraw/zinc/48/16/06/762481606.db2.gz FFJKOPIWQNVPJU-IRXDYDNUSA-N 1 3 347.463 0.079 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3ccnn3C)C2)CC[N@@H+]1C ZINC001051623556 762500166 /nfs/dbraw/zinc/50/01/66/762500166.db2.gz HJYWCGWAPGHYGU-VNQPRFMTSA-N 1 3 335.452 0.077 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3ccnn3C)C2)CC[N@H+]1C ZINC001051623556 762500169 /nfs/dbraw/zinc/50/01/69/762500169.db2.gz HJYWCGWAPGHYGU-VNQPRFMTSA-N 1 3 335.452 0.077 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001011177864 757128982 /nfs/dbraw/zinc/12/89/82/757128982.db2.gz CCAJMWQAMUWAJA-DOTOQJQBSA-N 1 3 348.491 0.483 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)N(C)C ZINC001011178161 757131581 /nfs/dbraw/zinc/13/15/81/757131581.db2.gz OBSGHVYBLWKKBY-CVEARBPZSA-N 1 3 336.480 0.339 20 0 ECADHO Cc1nc(CN[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n[nH]1 ZINC000996225084 757138990 /nfs/dbraw/zinc/13/89/90/757138990.db2.gz ZFXQEFZOCNHEAI-AWEZNQCLSA-N 1 3 334.468 0.782 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@H]3C2)CCC1 ZINC001048860339 757205551 /nfs/dbraw/zinc/20/55/51/757205551.db2.gz QKFASHMWUGDRDZ-CALCHBBNSA-N 1 3 345.491 0.837 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCc4cnn(C)c4)C[C@@H]3C2)CCC1 ZINC001048860339 757205552 /nfs/dbraw/zinc/20/55/52/757205552.db2.gz QKFASHMWUGDRDZ-CALCHBBNSA-N 1 3 345.491 0.837 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]3C2)C1=O ZINC001048860481 757205942 /nfs/dbraw/zinc/20/59/42/757205942.db2.gz WDKNOKLIICUXGI-XHSDSOJGSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]3C2)C1=O ZINC001048860481 757205948 /nfs/dbraw/zinc/20/59/48/757205948.db2.gz WDKNOKLIICUXGI-XHSDSOJGSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1)C1CC1 ZINC000996312944 757343766 /nfs/dbraw/zinc/34/37/66/757343766.db2.gz ACYYMHTUNVRILG-SJORKVTESA-N 1 3 348.491 0.528 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1)N(C)C ZINC000996315549 757350897 /nfs/dbraw/zinc/35/08/97/757350897.db2.gz SVUSJLZGQKORNT-CVEARBPZSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000996343986 757357841 /nfs/dbraw/zinc/35/78/41/757357841.db2.gz QNRHATJXUWCBQZ-AWEZNQCLSA-N 1 3 334.464 0.426 20 0 ECADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000996356786 757460034 /nfs/dbraw/zinc/46/00/34/757460034.db2.gz SLUDKGYRJTVYDQ-KGLIPLIRSA-N 1 3 343.435 0.558 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)CCC[NH+](C)C ZINC001076952219 757718115 /nfs/dbraw/zinc/71/81/15/757718115.db2.gz RFFNYUDQKLPDGF-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1)N(C)C ZINC001049040130 757761278 /nfs/dbraw/zinc/76/12/78/757761278.db2.gz XWJGIQGEFPNGTO-IXDOHACOSA-N 1 3 333.480 0.860 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1)N(C)C ZINC001049040130 757761286 /nfs/dbraw/zinc/76/12/86/757761286.db2.gz XWJGIQGEFPNGTO-IXDOHACOSA-N 1 3 333.480 0.860 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2cncn2C)C1 ZINC001051647187 762574005 /nfs/dbraw/zinc/57/40/05/762574005.db2.gz LPHOSPZRWZHKLP-DLBZAZTESA-N 1 3 349.479 0.612 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2cncn2C)C1 ZINC001051647187 762574007 /nfs/dbraw/zinc/57/40/07/762574007.db2.gz LPHOSPZRWZHKLP-DLBZAZTESA-N 1 3 349.479 0.612 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049056399 757798928 /nfs/dbraw/zinc/79/89/28/757798928.db2.gz XTQWCYWLEXTWBK-ZNMIVQPWSA-N 1 3 336.480 0.372 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049056399 757798933 /nfs/dbraw/zinc/79/89/33/757798933.db2.gz XTQWCYWLEXTWBK-ZNMIVQPWSA-N 1 3 336.480 0.372 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001076972282 757805725 /nfs/dbraw/zinc/80/57/25/757805725.db2.gz KQHWWJIWZJWFFO-HOCLYGCPSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049057188 757806278 /nfs/dbraw/zinc/80/62/78/757806278.db2.gz MPAGUNVVTIMMFO-CAOSSQGBSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049057188 757806296 /nfs/dbraw/zinc/80/62/96/757806296.db2.gz MPAGUNVVTIMMFO-CAOSSQGBSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC001049059168 757818763 /nfs/dbraw/zinc/81/87/63/757818763.db2.gz BSWZLJSYOLJJNQ-NCOADZHNSA-N 1 3 348.491 0.197 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC001049059168 757818775 /nfs/dbraw/zinc/81/87/75/757818775.db2.gz BSWZLJSYOLJJNQ-NCOADZHNSA-N 1 3 348.491 0.197 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@@H]3C[C@]34CCOC4)C[C@@H]2C1 ZINC001049083293 757915218 /nfs/dbraw/zinc/91/52/18/757915218.db2.gz XIWUPMYFYKMYQA-KRXQYRFLSA-N 1 3 330.432 0.769 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@@H]3C[C@]34CCOC4)C[C@@H]2C1 ZINC001049083293 757915224 /nfs/dbraw/zinc/91/52/24/757915224.db2.gz XIWUPMYFYKMYQA-KRXQYRFLSA-N 1 3 330.432 0.769 20 0 ECADHO CCN1CC[C@@H](N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1=O ZINC000996517798 757925140 /nfs/dbraw/zinc/92/51/40/757925140.db2.gz ANESRZXSXINDQL-HUUCEWRRSA-N 1 3 348.491 0.530 20 0 ECADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N1CCCC1 ZINC000996518194 757926138 /nfs/dbraw/zinc/92/61/38/757926138.db2.gz CQILWUYPGHIQJJ-OAHLLOKOSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001077021387 757958395 /nfs/dbraw/zinc/95/83/95/757958395.db2.gz ZAHAKZOLLFYJKQ-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001077021387 757958403 /nfs/dbraw/zinc/95/84/03/757958403.db2.gz ZAHAKZOLLFYJKQ-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC000996544851 757978769 /nfs/dbraw/zinc/97/87/69/757978769.db2.gz LVIKAYFXRPKDRP-FZKCQIBNSA-N 1 3 334.464 0.282 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC000996544851 757978774 /nfs/dbraw/zinc/97/87/74/757978774.db2.gz LVIKAYFXRPKDRP-FZKCQIBNSA-N 1 3 334.464 0.282 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)cc1 ZINC001083783544 758096947 /nfs/dbraw/zinc/09/69/47/758096947.db2.gz YCMMEQBUTRMMBZ-MSOLQXFVSA-N 1 3 331.460 0.976 20 0 ECADHO CCN(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001077108463 758191194 /nfs/dbraw/zinc/19/11/94/758191194.db2.gz FQEKZFWJMMCLQR-KBPBESRZSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001077108463 758191197 /nfs/dbraw/zinc/19/11/97/758191197.db2.gz FQEKZFWJMMCLQR-KBPBESRZSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001011647713 758206841 /nfs/dbraw/zinc/20/68/41/758206841.db2.gz JPHAENOMHQZVIK-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001011647713 758206852 /nfs/dbraw/zinc/20/68/52/758206852.db2.gz JPHAENOMHQZVIK-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)C1 ZINC001049171125 758210249 /nfs/dbraw/zinc/21/02/49/758210249.db2.gz LNMOSOJBJFLGQZ-ZACQAIPSSA-N 1 3 348.491 0.341 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)C1 ZINC001049171125 758210260 /nfs/dbraw/zinc/21/02/60/758210260.db2.gz LNMOSOJBJFLGQZ-ZACQAIPSSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001049174943 758225260 /nfs/dbraw/zinc/22/52/60/758225260.db2.gz DVJJHQGVCLZIEM-KFWWJZLASA-N 1 3 346.475 0.140 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001022077321 758243284 /nfs/dbraw/zinc/24/32/84/758243284.db2.gz OJCVRSBABPSPJR-XQLPTFJDSA-N 1 3 332.452 0.426 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001022077321 758243291 /nfs/dbraw/zinc/24/32/91/758243291.db2.gz OJCVRSBABPSPJR-XQLPTFJDSA-N 1 3 332.452 0.426 20 0 ECADHO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049234186 758400295 /nfs/dbraw/zinc/40/02/95/758400295.db2.gz YMZCKSAMBCKUFG-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049234186 758400299 /nfs/dbraw/zinc/40/02/99/758400299.db2.gz YMZCKSAMBCKUFG-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H]1CCN(CC(=O)NCC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001060319876 762633290 /nfs/dbraw/zinc/63/32/90/762633290.db2.gz GVQQMQFBNCBRLD-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CN(C)[C@H](C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001060320001 762635039 /nfs/dbraw/zinc/63/50/39/762635039.db2.gz JYKQLJCTGVEHGT-PBHICJAKSA-N 1 3 338.496 0.633 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022452770 758742977 /nfs/dbraw/zinc/74/29/77/758742977.db2.gz RAFUXDNBHPYKFS-FNYPPERVSA-N 1 3 342.443 0.682 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1=O ZINC001022717426 759033759 /nfs/dbraw/zinc/03/37/59/759033759.db2.gz WKQFBBNGBVGYTP-CXTNEJHOSA-N 1 3 349.431 0.583 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1=O ZINC001022717426 759033765 /nfs/dbraw/zinc/03/37/65/759033765.db2.gz WKQFBBNGBVGYTP-CXTNEJHOSA-N 1 3 349.431 0.583 20 0 ECADHO O=C(N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601647 759242573 /nfs/dbraw/zinc/24/25/73/759242573.db2.gz GGTFLKSMQNRFJU-OAGGEKHMSA-N 1 3 337.464 0.203 20 0 ECADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001047701236 759437706 /nfs/dbraw/zinc/43/77/06/759437706.db2.gz OVIMOUCGEVTOKA-LZWOXQAQSA-N 1 3 347.463 0.790 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001054296439 767904604 /nfs/dbraw/zinc/90/46/04/767904604.db2.gz GHVWTXXDIYQMSB-RRFJBIMHSA-N 1 3 345.509 0.342 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001050390266 760220153 /nfs/dbraw/zinc/22/01/53/760220153.db2.gz NFUAJCCCKXSMLK-KKUMJFAQSA-N 1 3 334.468 0.531 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001050390266 760220159 /nfs/dbraw/zinc/22/01/59/760220159.db2.gz NFUAJCCCKXSMLK-KKUMJFAQSA-N 1 3 334.468 0.531 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001012564562 760298199 /nfs/dbraw/zinc/29/81/99/760298199.db2.gz XGTNOAYMVBVZAM-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001012564562 760298204 /nfs/dbraw/zinc/29/82/04/760298204.db2.gz XGTNOAYMVBVZAM-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2)C1CC1 ZINC001050545936 760466717 /nfs/dbraw/zinc/46/67/17/760466717.db2.gz IEOMSDBYZJWEDS-HUUCEWRRSA-N 1 3 334.464 0.140 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001050580136 760527716 /nfs/dbraw/zinc/52/77/16/760527716.db2.gz KCYDBNNMZLWRSR-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001050662489 760636885 /nfs/dbraw/zinc/63/68/85/760636885.db2.gz IPEOWIINGWNCNT-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001050662491 760637172 /nfs/dbraw/zinc/63/71/72/760637172.db2.gz IPEOWIINGWNCNT-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO COc1ncc(CNCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001127065825 760659300 /nfs/dbraw/zinc/65/93/00/760659300.db2.gz FLEMSXYYPPUTNI-HNNXBMFYSA-N 1 3 335.452 0.872 20 0 ECADHO COc1ncc(CNCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001127065825 760659305 /nfs/dbraw/zinc/65/93/05/760659305.db2.gz FLEMSXYYPPUTNI-HNNXBMFYSA-N 1 3 335.452 0.872 20 0 ECADHO C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)CN3CCCC3)C2)CC1 ZINC001050755034 760783695 /nfs/dbraw/zinc/78/36/95/760783695.db2.gz GXCUBKWCQSCKLJ-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001083723764 767981397 /nfs/dbraw/zinc/98/13/97/767981397.db2.gz ZYVKXPQFGZJGFW-OWCLPIDISA-N 1 3 325.453 0.223 20 0 ECADHO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001083723764 767981402 /nfs/dbraw/zinc/98/14/02/767981402.db2.gz ZYVKXPQFGZJGFW-OWCLPIDISA-N 1 3 325.453 0.223 20 0 ECADHO CC1(C)CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CCF ZINC000996072803 761012282 /nfs/dbraw/zinc/01/22/82/761012282.db2.gz RLCYSVGFOKGSIE-CWVKQELPSA-N 1 3 325.428 0.646 20 0 ECADHO Cc1noc(CCC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]3C2)n1 ZINC001048720862 761030212 /nfs/dbraw/zinc/03/02/12/761030212.db2.gz RUSWHQSXDFXKBN-XHSDSOJGSA-N 1 3 347.463 0.795 20 0 ECADHO Cc1noc(CCC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]3C2)n1 ZINC001048720862 761030220 /nfs/dbraw/zinc/03/02/20/761030220.db2.gz RUSWHQSXDFXKBN-XHSDSOJGSA-N 1 3 347.463 0.795 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2C1 ZINC001048724399 761046014 /nfs/dbraw/zinc/04/60/14/761046014.db2.gz ZCHVWPPVGJBTQQ-LJISPDSOSA-N 1 3 343.418 0.895 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2C1 ZINC001048724399 761046023 /nfs/dbraw/zinc/04/60/23/761046023.db2.gz ZCHVWPPVGJBTQQ-LJISPDSOSA-N 1 3 343.418 0.895 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001017464649 768013026 /nfs/dbraw/zinc/01/30/26/768013026.db2.gz JUKXPMVJGRSZDI-DOTOQJQBSA-N 1 3 348.491 0.697 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001017464649 768013031 /nfs/dbraw/zinc/01/30/31/768013031.db2.gz JUKXPMVJGRSZDI-DOTOQJQBSA-N 1 3 348.491 0.697 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001106249569 768015004 /nfs/dbraw/zinc/01/50/04/768015004.db2.gz KYRNHTZJOYOSBC-OLMNPRSZSA-N 1 3 347.507 0.987 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106249699 768015976 /nfs/dbraw/zinc/01/59/76/768015976.db2.gz OBOAAXBANSZVLT-YUELXQCFSA-N 1 3 345.509 0.055 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001051299775 761851049 /nfs/dbraw/zinc/85/10/49/761851049.db2.gz OWXCVWOZYXLQSJ-KBXCAEBGSA-N 1 3 331.460 0.851 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001051299775 761851059 /nfs/dbraw/zinc/85/10/59/761851059.db2.gz OWXCVWOZYXLQSJ-KBXCAEBGSA-N 1 3 331.460 0.851 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCc2cccc3c2CCN(CCCO)C3)C1 ZINC001051306713 761859941 /nfs/dbraw/zinc/85/99/41/761859941.db2.gz MVAMDCAQVQBGGG-KRWDZBQOSA-N 1 3 331.460 0.995 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCc2cccc3c2CCN(CCCO)C3)C1 ZINC001051306713 761859951 /nfs/dbraw/zinc/85/99/51/761859951.db2.gz MVAMDCAQVQBGGG-KRWDZBQOSA-N 1 3 331.460 0.995 20 0 ECADHO C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)CN1CCn1cncn1 ZINC001099214239 768088210 /nfs/dbraw/zinc/08/82/10/768088210.db2.gz ITDFXVGHBDUHIW-HNNXBMFYSA-N 1 3 336.484 0.837 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCO[C@@H](CNCc3cccnc3)C2)CC1 ZINC001051800890 762997489 /nfs/dbraw/zinc/99/74/89/762997489.db2.gz GGMNFAAJEPVUKK-KRWDZBQOSA-N 1 3 332.448 0.740 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]Cc3cccnc3)C2)C1 ZINC001051825133 763054194 /nfs/dbraw/zinc/05/41/94/763054194.db2.gz QWJHUBFAUVBWHF-WBVHZDCISA-N 1 3 332.448 0.740 20 0 ECADHO CC1(C)CO[C@H](C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC001051848204 763102137 /nfs/dbraw/zinc/10/21/37/763102137.db2.gz NIMCDJHAOHDPMZ-LSDHHAIUSA-N 1 3 336.436 0.584 20 0 ECADHO Cn1ccc(CN2CC[C@@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)cc1=O ZINC001046775906 763105548 /nfs/dbraw/zinc/10/55/48/763105548.db2.gz VHRJSCCRMLWLHX-GOSISDBHSA-N 1 3 344.459 0.562 20 0 ECADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659560 763139713 /nfs/dbraw/zinc/13/97/13/763139713.db2.gz FYECJCLRYUYZJT-GZBFAFLISA-N 1 3 326.485 0.726 20 0 ECADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659560 763139718 /nfs/dbraw/zinc/13/97/18/763139718.db2.gz FYECJCLRYUYZJT-GZBFAFLISA-N 1 3 326.485 0.726 20 0 ECADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904400 763288837 /nfs/dbraw/zinc/28/88/37/763288837.db2.gz LGMYRQBZGHCGLS-INIZCTEOSA-N 1 3 347.463 0.141 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001051944114 763412359 /nfs/dbraw/zinc/41/23/59/763412359.db2.gz QSQRHZAUHDUVKL-QGZVFWFLSA-N 1 3 349.479 0.613 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1)N(C)C ZINC001106313379 768139367 /nfs/dbraw/zinc/13/93/67/768139367.db2.gz YUOXHOMKOVRISW-BZUAXINKSA-N 1 3 340.512 0.879 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC(=O)NC2CC2)C3)CC1 ZINC001047139023 763712768 /nfs/dbraw/zinc/71/27/68/763712768.db2.gz JRNCYEXKRMZLMO-JQFCIGGWSA-N 1 3 348.491 0.576 20 0 ECADHO CO[C@@H](C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047501831 764529327 /nfs/dbraw/zinc/52/93/27/764529327.db2.gz XIMMQMMSSBRMSM-QXKUPLGCSA-N 1 3 327.469 0.255 20 0 ECADHO CO[C@@H](C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047501831 764529336 /nfs/dbraw/zinc/52/93/36/764529336.db2.gz XIMMQMMSSBRMSM-QXKUPLGCSA-N 1 3 327.469 0.255 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CCc1cnn(C)c1 ZINC001088980475 764685059 /nfs/dbraw/zinc/68/50/59/764685059.db2.gz JGPLDTKZCZLDKK-VYDXJSESSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CCc1cnn(C)c1 ZINC001088980475 764685072 /nfs/dbraw/zinc/68/50/72/764685072.db2.gz JGPLDTKZCZLDKK-VYDXJSESSA-N 1 3 333.480 0.883 20 0 ECADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001052782448 765109064 /nfs/dbraw/zinc/10/90/64/765109064.db2.gz GWUSIPVCIGBFCS-JKSUJKDBSA-N 1 3 340.512 0.879 20 0 ECADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001052782448 765109069 /nfs/dbraw/zinc/10/90/69/765109069.db2.gz GWUSIPVCIGBFCS-JKSUJKDBSA-N 1 3 340.512 0.879 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001015797227 765335563 /nfs/dbraw/zinc/33/55/63/765335563.db2.gz ZYYKSDWDBDMLMN-HOTGVXAUSA-N 1 3 346.479 0.688 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992153930 765684460 /nfs/dbraw/zinc/68/44/60/765684460.db2.gz QKTQIZMUAGCLFL-XSCHDIRWSA-N 1 3 347.463 0.612 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992153930 765684466 /nfs/dbraw/zinc/68/44/66/765684466.db2.gz QKTQIZMUAGCLFL-XSCHDIRWSA-N 1 3 347.463 0.612 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CCF ZINC001106455311 768325447 /nfs/dbraw/zinc/32/54/47/768325447.db2.gz MFNCPTLEGIPVBL-QVCPJDEESA-N 1 3 325.428 0.503 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001077506337 765937701 /nfs/dbraw/zinc/93/77/01/765937701.db2.gz QZVCMCHWJIOWJP-LSDHHAIUSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCc1cncn1C ZINC001054854482 768339926 /nfs/dbraw/zinc/33/99/26/768339926.db2.gz UYCIPQWOYWCLMX-HOCLYGCPSA-N 1 3 331.464 0.985 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1cnn(C)c1 ZINC001054854504 768340109 /nfs/dbraw/zinc/34/01/09/768340109.db2.gz VEJIZODLOLZWRU-GDBMZVCRSA-N 1 3 331.464 0.985 20 0 ECADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C)C(N)=O ZINC001106133103 766803093 /nfs/dbraw/zinc/80/30/93/766803093.db2.gz HIKWWZPAFVCEQQ-QLFBSQMISA-N 1 3 338.496 0.809 20 0 ECADHO CN(CC(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000938316349 766817535 /nfs/dbraw/zinc/81/75/35/766817535.db2.gz DKMMCJAPPVCTMO-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000938316349 766817543 /nfs/dbraw/zinc/81/75/43/766817543.db2.gz DKMMCJAPPVCTMO-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](F)CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067376 766858933 /nfs/dbraw/zinc/85/89/33/766858933.db2.gz YIRGWAHJEHZMHE-HOCLYGCPSA-N 1 3 337.443 0.919 20 0 ECADHO C[C@H](F)CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067376 766858943 /nfs/dbraw/zinc/85/89/43/766858943.db2.gz YIRGWAHJEHZMHE-HOCLYGCPSA-N 1 3 337.443 0.919 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1)N(C)C ZINC000994842380 766928403 /nfs/dbraw/zinc/92/84/03/766928403.db2.gz OONYPZGHQYRMBM-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC000938683257 767062574 /nfs/dbraw/zinc/06/25/74/767062574.db2.gz IMIDNIXIRWZHGP-HZPDHXFCSA-N 1 3 348.491 0.482 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106907908 767102209 /nfs/dbraw/zinc/10/22/09/767102209.db2.gz IBINVVCKVSXGMT-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)CN2CCC[C@@H]2C)C1)[NH+](C)C ZINC000938821776 767121553 /nfs/dbraw/zinc/12/15/53/767121553.db2.gz VOVGXONITPRFDC-YQQAZPJKSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001046330301 767152271 /nfs/dbraw/zinc/15/22/71/767152271.db2.gz YYFREEFPWURKEF-KYJSFNMBSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001046330301 767152272 /nfs/dbraw/zinc/15/22/72/767152272.db2.gz YYFREEFPWURKEF-KYJSFNMBSA-N 1 3 333.480 0.883 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089818735 767299148 /nfs/dbraw/zinc/29/91/48/767299148.db2.gz CJYIRPDCGKIRBE-FZKCQIBNSA-N 1 3 348.491 0.386 20 0 ECADHO 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ECADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080534987 777979079 /nfs/dbraw/zinc/97/90/79/777979079.db2.gz RUZXLMUPIAQVRZ-UHFFFAOYSA-N 1 3 326.485 0.728 20 0 ECADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080534987 777979082 /nfs/dbraw/zinc/97/90/82/777979082.db2.gz RUZXLMUPIAQVRZ-UHFFFAOYSA-N 1 3 326.485 0.728 20 0 ECADHO CCN(C(=O)C[N@@H+]1CCC[C@H]1C)C1CN(C(=O)CN2CCCC2)C1 ZINC001080557875 778026895 /nfs/dbraw/zinc/02/68/95/778026895.db2.gz GUEZDZCAJBFBOJ-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CCN(C(=O)C[N@H+]1CCC[C@H]1C)C1CN(C(=O)CN2CCCC2)C1 ZINC001080557875 778026904 /nfs/dbraw/zinc/02/69/04/778026904.db2.gz GUEZDZCAJBFBOJ-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CCN(C(=O)CN1CCC[C@@H]1C)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001080558043 778026955 /nfs/dbraw/zinc/02/69/55/778026955.db2.gz LDNHQMLSSQGBKJ-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)CN1CCC[C@@H]1C)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001080558043 778026966 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CN(C)[C@@]1(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CCSC1 ZINC000424140664 209881233 /nfs/dbraw/zinc/88/12/33/209881233.db2.gz WMPIVAXITKGDMB-SWLSCSKDSA-N 1 3 338.481 0.370 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000355003339 299181746 /nfs/dbraw/zinc/18/17/46/299181746.db2.gz NSYWJRXVOHRUFV-SJORKVTESA-N 1 3 348.491 0.674 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000355003339 299181749 /nfs/dbraw/zinc/18/17/49/299181749.db2.gz NSYWJRXVOHRUFV-SJORKVTESA-N 1 3 348.491 0.674 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000410903097 283216905 /nfs/dbraw/zinc/21/69/05/283216905.db2.gz BBAFKSFXMPVRGG-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000420460891 209371211 /nfs/dbraw/zinc/37/12/11/209371211.db2.gz RQXJGVRFGHVRSG-ZDUSSCGKSA-N 1 3 329.470 0.173 20 0 ECADHO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420467398 209371930 /nfs/dbraw/zinc/37/19/30/209371930.db2.gz XFELTXJCXAWTDA-LLVKDONJSA-N 1 3 331.486 0.195 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420374659 209358918 /nfs/dbraw/zinc/35/89/18/209358918.db2.gz HVHVLVVXHFQQDR-HUUCEWRRSA-N 1 3 333.498 0.534 20 0 ECADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000420210017 209342264 /nfs/dbraw/zinc/34/22/64/209342264.db2.gz RZTKLOAMCWSTTI-PMPSAXMXSA-N 1 3 336.480 0.707 20 0 ECADHO CC1[C@@H](C(=O)NCC2(N(C)C)CC2)[C@@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000420156699 209325249 /nfs/dbraw/zinc/32/52/49/209325249.db2.gz FUTMSXQLGLVUQC-ZIAGYGMSSA-N 1 3 336.480 0.289 20 0 ECADHO CC1(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC[NH2+]CC1 ZINC000420097201 209304200 /nfs/dbraw/zinc/30/42/00/209304200.db2.gz BVHZRSIJOCIGKM-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420072936 209299211 /nfs/dbraw/zinc/29/92/11/209299211.db2.gz XQKXPOZVUVKYQC-BMFZPTHFSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)[C@@H]1C[NH3+] ZINC000419584880 209132888 /nfs/dbraw/zinc/13/28/88/209132888.db2.gz MNYQZJJOMMIBKI-XJKCOSOUSA-N 1 3 342.509 0.126 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419973243 209265737 /nfs/dbraw/zinc/26/57/37/209265737.db2.gz HKJNLJFWSXGTOI-OAGGEKHMSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000419958220 209261668 /nfs/dbraw/zinc/26/16/68/209261668.db2.gz QAXMOWGWTZPMBR-OAHLLOKOSA-N 1 3 346.475 0.820 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419939516 209253947 /nfs/dbraw/zinc/25/39/47/209253947.db2.gz YIAOOSDBMASUBQ-ZBFHGGJFSA-N 1 3 332.448 0.651 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419939516 209253942 /nfs/dbraw/zinc/25/39/42/209253942.db2.gz YIAOOSDBMASUBQ-ZBFHGGJFSA-N 1 3 332.448 0.651 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419903496 209244862 /nfs/dbraw/zinc/24/48/62/209244862.db2.gz ASDOWCTWTVAIGR-HNNXBMFYSA-N 1 3 332.448 0.745 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419902578 209244718 /nfs/dbraw/zinc/24/47/18/209244718.db2.gz WANMIUYASZPSOD-NVXWUHKLSA-N 1 3 346.475 0.834 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000419785743 209204104 /nfs/dbraw/zinc/20/41/04/209204104.db2.gz ZJFKNCNIWZKQFU-ZNMIVQPWSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CCC(C)CC1 ZINC000356445776 299390289 /nfs/dbraw/zinc/39/02/89/299390289.db2.gz GDXMGLWNKYXFEW-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)cc1 ZINC000262533520 245021799 /nfs/dbraw/zinc/02/17/99/245021799.db2.gz QAGKBCYHNHHCAI-SJLPKXTDSA-N 1 3 347.459 0.746 20 0 ECADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000262634528 245084057 /nfs/dbraw/zinc/08/40/57/245084057.db2.gz HAVXWSINPFGMSE-HUUCEWRRSA-N 1 3 330.432 0.932 20 0 ECADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)CN1CCOCC1 ZINC000363714685 204051996 /nfs/dbraw/zinc/05/19/96/204051996.db2.gz QODXXFRWOWSZQE-ZJPYXAASSA-N 1 3 341.496 0.159 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)CN1CCOCC1 ZINC000363714685 204051999 /nfs/dbraw/zinc/05/19/99/204051999.db2.gz QODXXFRWOWSZQE-ZJPYXAASSA-N 1 3 341.496 0.159 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419703611 209178738 /nfs/dbraw/zinc/17/87/38/209178738.db2.gz WQAMXPNEMQZFGW-BZUAXINKSA-N 1 3 338.496 0.857 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419698523 209176382 /nfs/dbraw/zinc/17/63/82/209176382.db2.gz PRFBDSXPJSJAET-LSDHHAIUSA-N 1 3 326.485 0.585 20 0 ECADHO CC(C)(CNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C[NH+]1CCCC1 ZINC000419671763 209166936 /nfs/dbraw/zinc/16/69/36/209166936.db2.gz YVNHECMYDSAJKX-HNNXBMFYSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000419656727 209160577 /nfs/dbraw/zinc/16/05/77/209160577.db2.gz IQZHYJYSONFKTF-HYVNUMGLSA-N 1 3 344.459 0.715 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419654558 209159343 /nfs/dbraw/zinc/15/93/43/209159343.db2.gz ZYLLPNWMNOTOGK-BBRMVZONSA-N 1 3 332.448 0.479 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000419640349 209153093 /nfs/dbraw/zinc/15/30/93/209153093.db2.gz KIALZSVLVDXQDQ-HNNXBMFYSA-N 1 3 346.475 0.870 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCSC1 ZINC000419592374 209135164 /nfs/dbraw/zinc/13/51/64/209135164.db2.gz WUSFXHCVQBRUHW-CZUORRHYSA-N 1 3 342.509 0.127 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000419578332 209131772 /nfs/dbraw/zinc/13/17/72/209131772.db2.gz FPCMYKGFYHMXPN-CJNGLKHVSA-N 1 3 342.509 0.140 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000419507711 209112409 /nfs/dbraw/zinc/11/24/09/209112409.db2.gz PMKJZQMGDFDWAD-NVXWUHKLSA-N 1 3 344.459 0.478 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000419507711 209112408 /nfs/dbraw/zinc/11/24/08/209112408.db2.gz PMKJZQMGDFDWAD-NVXWUHKLSA-N 1 3 344.459 0.478 20 0 ECADHO CNS(=O)(=O)CCCN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000111216105 220113127 /nfs/dbraw/zinc/11/31/27/220113127.db2.gz IXFYQNAJGMPCLU-HUUCEWRRSA-N 1 3 347.525 0.747 20 0 ECADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)NCC[NH3+] ZINC000419840487 209220052 /nfs/dbraw/zinc/22/00/52/209220052.db2.gz RYLPIYSUSVXIQB-UHFFFAOYSA-N 1 3 326.466 0.493 20 0 ECADHO CCC1(CNC(=O)C(=O)NCCN)CC[NH+](Cc2ccccc2)CC1 ZINC000419495391 209109163 /nfs/dbraw/zinc/10/91/63/209109163.db2.gz RUDMZUKUFIZUCV-UHFFFAOYSA-N 1 3 346.475 0.870 20 0 ECADHO CN(C)CCCN(CCC[NH+](C)C)c1nc2c(cnn2C)c(=O)[nH]1 ZINC000356786743 299447690 /nfs/dbraw/zinc/44/76/90/299447690.db2.gz YMCJQJYKBGNGIM-UHFFFAOYSA-N 1 3 335.456 0.779 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423137040 284610455 /nfs/dbraw/zinc/61/04/55/284610455.db2.gz VXZZFWAMVWYYML-OAHLLOKOSA-N 1 3 326.485 0.763 20 0 ECADHO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]1CN1CCCC1 ZINC000424156110 296279916 /nfs/dbraw/zinc/27/99/16/296279916.db2.gz NPGPNTXXMMOTLA-CABCVRRESA-N 1 3 332.452 0.903 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)CN[C@@H](CO)[C@@H]1CCCO1)c1ccccc1 ZINC000447901152 211213729 /nfs/dbraw/zinc/21/37/29/211213729.db2.gz BDMOTQKFHDYIML-BBWFWOEESA-N 1 3 335.448 0.535 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC001041676439 781969843 /nfs/dbraw/zinc/96/98/43/781969843.db2.gz XMIBWPDPXHSFBS-AEFFLSMTSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC001041676439 781969854 /nfs/dbraw/zinc/96/98/54/781969854.db2.gz XMIBWPDPXHSFBS-AEFFLSMTSA-N 1 3 346.479 0.687 20 0 ECADHO CCCC[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000442712477 210958480 /nfs/dbraw/zinc/95/84/80/210958480.db2.gz GNUFBMXNAZYDJO-CYBMUJFWSA-N 1 3 328.438 0.380 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000411034876 208059089 /nfs/dbraw/zinc/05/90/89/208059089.db2.gz YJNAMTGMHHKLSB-MRXNPFEDSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H]1CN ZINC000423728547 296363179 /nfs/dbraw/zinc/36/31/79/296363179.db2.gz JVFJWQOSHFWRGE-GDBMZVCRSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000412389277 208229537 /nfs/dbraw/zinc/22/95/37/208229537.db2.gz WYUQLBRJSSONSK-BYNSBNAKSA-N 1 3 326.485 0.535 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CC(C)C[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000412393319 208230239 /nfs/dbraw/zinc/23/02/39/208230239.db2.gz HCQFZPVMHINPNQ-CAOSSQGBSA-N 1 3 340.512 0.781 20 0 ECADHO CCCC[C@H](C[NH3+])NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420438496 209366323 /nfs/dbraw/zinc/36/63/23/209366323.db2.gz ADCRQOPOQZTTAE-CQSZACIVSA-N 1 3 345.513 0.857 20 0 ECADHO NC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430607110 210388290 /nfs/dbraw/zinc/38/82/90/210388290.db2.gz XIDQLWWPYNXGSI-INIZCTEOSA-N 1 3 331.464 0.934 20 0 ECADHO NC[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430607110 210388295 /nfs/dbraw/zinc/38/82/95/210388295.db2.gz XIDQLWWPYNXGSI-INIZCTEOSA-N 1 3 331.464 0.934 20 0 ECADHO CN(CCN)C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419062211 208966270 /nfs/dbraw/zinc/96/62/70/208966270.db2.gz ACEYEQHOOFKCEP-UHFFFAOYSA-N 1 3 332.448 0.432 20 0 ECADHO C[NH+](C)C[C@H](O)CNC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496420246 255098576 /nfs/dbraw/zinc/09/85/76/255098576.db2.gz ZSXHJFOCFVYPTR-HUUCEWRRSA-N 1 3 345.484 0.507 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000419160617 209006905 /nfs/dbraw/zinc/00/69/05/209006905.db2.gz PZEQJNPVMYJUKP-MRXNPFEDSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)C[C@H]1[NH3+] ZINC000419197020 209019791 /nfs/dbraw/zinc/01/97/91/209019791.db2.gz BJOZCUYOBXRKRL-CZUORRHYSA-N 1 3 348.447 0.049 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419222355 209030396 /nfs/dbraw/zinc/03/03/96/209030396.db2.gz BRPFLIZROCJWES-USXIJHARSA-N 1 3 344.459 0.573 20 0 ECADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419220877 209031047 /nfs/dbraw/zinc/03/10/47/209031047.db2.gz ACYWFOJSJPZODJ-MRXNPFEDSA-N 1 3 334.464 0.403 20 0 ECADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419225485 209031963 /nfs/dbraw/zinc/03/19/63/209031963.db2.gz HDYJACAUPYTXST-OWCLPIDISA-N 1 3 336.480 0.611 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419225262 209032493 /nfs/dbraw/zinc/03/24/93/209032493.db2.gz GXWHGGFYEISIDE-CWRNSKLLSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419227519 209034623 /nfs/dbraw/zinc/03/46/23/209034623.db2.gz KQMZYBPQGWXVLS-INMHGKMJSA-N 1 3 346.475 0.724 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419231504 209035817 /nfs/dbraw/zinc/03/58/17/209035817.db2.gz RZWVPCJPJDNXKI-ZBFHGGJFSA-N 1 3 346.475 0.867 20 0 ECADHO NCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000419291179 209052431 /nfs/dbraw/zinc/05/24/31/209052431.db2.gz WJVQJBVTKJQQJW-UHFFFAOYSA-N 1 3 332.448 0.754 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419418684 209088988 /nfs/dbraw/zinc/08/89/88/209088988.db2.gz IRNNOXYWGFTPTE-KRWDZBQOSA-N 1 3 344.459 0.371 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000417749330 285318011 /nfs/dbraw/zinc/31/80/11/285318011.db2.gz JLEBTHWYPWLGHI-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)[C@H](C)C1 ZINC000422121885 285382933 /nfs/dbraw/zinc/38/29/33/285382933.db2.gz RUFUQRQPLZGHEM-PMPSAXMXSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)[C@H](C)C1 ZINC000422121885 285382935 /nfs/dbraw/zinc/38/29/35/285382935.db2.gz RUFUQRQPLZGHEM-PMPSAXMXSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)NCCCC[NH3+])N1CCC(C)CC1 ZINC000419367807 209071635 /nfs/dbraw/zinc/07/16/35/209071635.db2.gz DSVLXEZMHZDBGZ-HNNXBMFYSA-N 1 3 326.485 0.714 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)Cc2ccccc2C1 ZINC000419375068 209071970 /nfs/dbraw/zinc/07/19/70/209071970.db2.gz PWYFYSNDVPOTPT-INIZCTEOSA-N 1 3 344.459 0.055 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000188795958 165001876 /nfs/dbraw/zinc/00/18/76/165001876.db2.gz ICDZCQVRTINKTD-DLBZAZTESA-N 1 3 334.439 0.750 20 0 ECADHO C[NH+](C)CCOc1cc(CNC(=O)c2[nH]nc3c2CNCC3)ccn1 ZINC000188986650 165004366 /nfs/dbraw/zinc/00/43/66/165004366.db2.gz XAANSXZCFFRCMP-UHFFFAOYSA-N 1 3 344.419 0.321 20 0 ECADHO CC(C)[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)N1CCN(C)CC1 ZINC000188923592 165004578 /nfs/dbraw/zinc/00/45/78/165004578.db2.gz GVPNJFCPWPAPCB-HNNXBMFYSA-N 1 3 334.468 0.057 20 0 ECADHO CCC[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N(C)C ZINC000236889593 165094075 /nfs/dbraw/zinc/09/40/75/165094075.db2.gz UVHAQJNEFUSVHS-OWCLPIDISA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000247379301 165159826 /nfs/dbraw/zinc/15/98/26/165159826.db2.gz UAGDEQCPMSWFPV-DLBZAZTESA-N 1 3 339.528 0.853 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000247379301 165159828 /nfs/dbraw/zinc/15/98/28/165159828.db2.gz UAGDEQCPMSWFPV-DLBZAZTESA-N 1 3 339.528 0.853 20 0 ECADHO C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248391634 165173278 /nfs/dbraw/zinc/17/32/78/165173278.db2.gz DKJPHTASQDVXNF-DJIMGWMZSA-N 1 3 346.475 0.991 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000262034144 165278842 /nfs/dbraw/zinc/27/88/42/165278842.db2.gz HCIOQVNFAOGCDI-HNNXBMFYSA-N 1 3 326.485 0.857 20 0 ECADHO COC(=O)COc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262153499 165299697 /nfs/dbraw/zinc/29/96/97/165299697.db2.gz RPJXWQUACXZNGG-INIZCTEOSA-N 1 3 333.432 0.718 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000419413098 209086426 /nfs/dbraw/zinc/08/64/26/209086426.db2.gz RPUKGFNXQMATLK-AWEZNQCLSA-N 1 3 344.459 0.754 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237027779 263172620 /nfs/dbraw/zinc/17/26/20/263172620.db2.gz XRCQBWJTALQWCE-ZIAGYGMSSA-N 1 3 342.509 0.140 20 0 ECADHO CN(CCNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC000285137885 264282669 /nfs/dbraw/zinc/28/26/69/264282669.db2.gz SLFIQHNQQWWZFR-UHFFFAOYSA-N 1 3 346.475 0.617 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000418990568 274239053 /nfs/dbraw/zinc/23/90/53/274239053.db2.gz CXJREDZLOVCNJL-NVXWUHKLSA-N 1 3 346.475 0.820 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415183304 276342902 /nfs/dbraw/zinc/34/29/02/276342902.db2.gz IPKONHTWONYOKJ-UHFFFAOYSA-N 1 3 348.447 0.907 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000418851413 276775642 /nfs/dbraw/zinc/77/56/42/276775642.db2.gz PUWIJMZDMIRBQZ-IAGOWNOFSA-N 1 3 346.475 0.534 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000419417052 277300639 /nfs/dbraw/zinc/30/06/39/277300639.db2.gz HQWNGNRZQKNQSS-DLBZAZTESA-N 1 3 344.459 0.760 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419648828 278248720 /nfs/dbraw/zinc/24/87/20/278248720.db2.gz BHGHIHJWWQHABE-DZKIICNBSA-N 1 3 332.448 0.619 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000419978636 278976130 /nfs/dbraw/zinc/97/61/30/278976130.db2.gz OLIHAWSMTZLQPT-JKSUJKDBSA-N 1 3 338.496 0.953 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425403848 279037989 /nfs/dbraw/zinc/03/79/89/279037989.db2.gz PDXMZNBXNAJVBI-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425403848 279037990 /nfs/dbraw/zinc/03/79/90/279037990.db2.gz PDXMZNBXNAJVBI-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000341999667 279142191 /nfs/dbraw/zinc/14/21/91/279142191.db2.gz HWSFNVMSNWWLNC-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)N(C)CC[NH3+])cc2)CC1 ZINC000416988579 279363442 /nfs/dbraw/zinc/36/34/42/279363442.db2.gz LIDJTIVZUMMZLU-UHFFFAOYSA-N 1 3 333.480 0.924 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418385995 280284500 /nfs/dbraw/zinc/28/45/00/280284500.db2.gz MINNHPXPYLGUPJ-GOEBONIOSA-N 1 3 325.501 0.780 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000340217393 437607694 /nfs/dbraw/zinc/60/76/94/437607694.db2.gz DXDJQJVDOOTIOF-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000340217393 437607697 /nfs/dbraw/zinc/60/76/97/437607697.db2.gz DXDJQJVDOOTIOF-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343579063 437607282 /nfs/dbraw/zinc/60/72/82/437607282.db2.gz GWJRTSYYIVCSCD-AKHDSKFASA-N 1 3 336.524 0.807 20 0 ECADHO C[C@@H]1C[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1N1CCN(C)CC1 ZINC000343579063 437607285 /nfs/dbraw/zinc/60/72/85/437607285.db2.gz GWJRTSYYIVCSCD-AKHDSKFASA-N 1 3 336.524 0.807 20 0 ECADHO C[C@@H]1C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1N1CCN(C)CC1 ZINC000343579063 437607289 /nfs/dbraw/zinc/60/72/89/437607289.db2.gz GWJRTSYYIVCSCD-AKHDSKFASA-N 1 3 336.524 0.807 20 0 ECADHO CN(CCNC(=O)C1(C(=O)NCC[N@H+](C)C2CC2)CCC1)C1CC1 ZINC000354409887 437607355 /nfs/dbraw/zinc/60/73/55/437607355.db2.gz LVTMCMNLPIHMKK-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CCNC(=O)C1(C(=O)NCC[N@@H+](C)C2CC2)CCC1)C1CC1 ZINC000354409887 437607361 /nfs/dbraw/zinc/60/73/61/437607361.db2.gz LVTMCMNLPIHMKK-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417433071 289015719 /nfs/dbraw/zinc/01/57/19/289015719.db2.gz UWPSUOIXMOFWHK-ZNMIVQPWSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417433071 289015720 /nfs/dbraw/zinc/01/57/20/289015720.db2.gz UWPSUOIXMOFWHK-ZNMIVQPWSA-N 1 3 339.484 0.321 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)C2)C1 ZINC000460026768 290184605 /nfs/dbraw/zinc/18/46/05/290184605.db2.gz USUMWCSMBPJRPG-QFBILLFUSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)C2)C1 ZINC000460026768 290184609 /nfs/dbraw/zinc/18/46/09/290184609.db2.gz USUMWCSMBPJRPG-QFBILLFUSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC[N@@H+]1C ZINC000343649456 437616314 /nfs/dbraw/zinc/61/63/14/437616314.db2.gz YRXUJQQPDPOZOO-QLFBSQMISA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC[N@H+]1C ZINC000343649456 437616318 /nfs/dbraw/zinc/61/63/18/437616318.db2.gz YRXUJQQPDPOZOO-QLFBSQMISA-N 1 3 336.480 0.718 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345280 293026355 /nfs/dbraw/zinc/02/63/55/293026355.db2.gz VQDUCIIJQFLZDQ-IHRRRGAJSA-N 1 3 326.441 0.169 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332113036 297003498 /nfs/dbraw/zinc/00/34/98/297003498.db2.gz CMYBLEITHUEFEK-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332113036 297003499 /nfs/dbraw/zinc/00/34/99/297003499.db2.gz CMYBLEITHUEFEK-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO COC(=O)[C@](C)(O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000330812448 437620788 /nfs/dbraw/zinc/62/07/88/437620788.db2.gz CBMKVGAVSHKZGH-QGZVFWFLSA-N 1 3 327.469 0.260 20 0 ECADHO [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)C(F)(F)F ZINC000416044130 295236037 /nfs/dbraw/zinc/23/60/37/295236037.db2.gz LTZYUPJQYHHANZ-GHMZBOCLSA-N 1 3 326.363 0.412 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1CC1 ZINC000419185866 295262442 /nfs/dbraw/zinc/26/24/42/295262442.db2.gz PMEWNMWRILHXDO-CVEARBPZSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000419185866 295262443 /nfs/dbraw/zinc/26/24/43/295262443.db2.gz PMEWNMWRILHXDO-CVEARBPZSA-N 1 3 336.480 0.753 20 0 ECADHO O=C(Nc1cnc(N2CCNCC2)nc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000333339835 297126702 /nfs/dbraw/zinc/12/67/02/297126702.db2.gz POBAVJMPYURRJU-CQSZACIVSA-N 1 3 331.424 0.198 20 0 ECADHO O=C(Nc1cnc(N2CCNCC2)nc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000333339835 297126703 /nfs/dbraw/zinc/12/67/03/297126703.db2.gz POBAVJMPYURRJU-CQSZACIVSA-N 1 3 331.424 0.198 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333399035 297131082 /nfs/dbraw/zinc/13/10/82/297131082.db2.gz YMSIGWQKHRQYIW-CQSZACIVSA-N 1 3 347.467 0.692 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333399035 297131085 /nfs/dbraw/zinc/13/10/85/297131085.db2.gz YMSIGWQKHRQYIW-CQSZACIVSA-N 1 3 347.467 0.692 20 0 ECADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000333551372 297141136 /nfs/dbraw/zinc/14/11/36/297141136.db2.gz JNOFUIHBAGIIQR-IIAWOOMASA-N 1 3 332.452 0.759 20 0 ECADHO O=S(=O)([C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000333654681 297146870 /nfs/dbraw/zinc/14/68/70/297146870.db2.gz KKJVHTNBCCFFRG-CABCVRRESA-N 1 3 331.482 0.112 20 0 ECADHO C[C@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000333701428 297148143 /nfs/dbraw/zinc/14/81/43/297148143.db2.gz DJWNUTXEWNCTTE-GJZGRUSLSA-N 1 3 325.501 0.700 20 0 ECADHO Cn1cc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000338462005 297271906 /nfs/dbraw/zinc/27/19/06/297271906.db2.gz UIFVYBAVQIBIIF-UHFFFAOYSA-N 1 3 334.468 0.778 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000338528890 297275920 /nfs/dbraw/zinc/27/59/20/297275920.db2.gz BPEMEPBLRPRUHI-CABCVRRESA-N 1 3 341.500 0.569 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000338836713 297299999 /nfs/dbraw/zinc/29/99/99/297299999.db2.gz LXVBOCLWKJFYMR-GJZGRUSLSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000338836713 297300001 /nfs/dbraw/zinc/30/00/01/297300001.db2.gz LXVBOCLWKJFYMR-GJZGRUSLSA-N 1 3 339.484 0.323 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCCN(C)[C@@H]3C)C2)CC1 ZINC000345744520 298189228 /nfs/dbraw/zinc/18/92/28/298189228.db2.gz KORJCJFJVQTLQS-ZACQAIPSSA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000345744520 298189231 /nfs/dbraw/zinc/18/92/31/298189231.db2.gz KORJCJFJVQTLQS-ZACQAIPSSA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000345744520 298189234 /nfs/dbraw/zinc/18/92/34/298189234.db2.gz KORJCJFJVQTLQS-ZACQAIPSSA-N 1 3 337.512 0.891 20 0 ECADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)CC1 ZINC000345754329 298189776 /nfs/dbraw/zinc/18/97/76/298189776.db2.gz QWWFIBCAEMAZCZ-ARFHVFGLSA-N 1 3 326.485 0.861 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000346302197 298253931 /nfs/dbraw/zinc/25/39/31/298253931.db2.gz BODYPDOHEUGKRU-IRXDYDNUSA-N 1 3 340.512 0.485 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000346570880 298295778 /nfs/dbraw/zinc/29/57/78/298295778.db2.gz PYBIRVVQNAZJEC-JKSUJKDBSA-N 1 3 349.541 0.995 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000346570880 298295783 /nfs/dbraw/zinc/29/57/83/298295783.db2.gz PYBIRVVQNAZJEC-JKSUJKDBSA-N 1 3 349.541 0.995 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000349025907 298644999 /nfs/dbraw/zinc/64/49/99/298644999.db2.gz IOSHHKPCESAMKO-HZPDHXFCSA-N 1 3 338.496 0.382 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278735 299964831 /nfs/dbraw/zinc/96/48/31/299964831.db2.gz LAELYCNAYVUPNV-HUUCEWRRSA-N 1 3 342.484 0.060 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1=O ZINC000361461307 300097628 /nfs/dbraw/zinc/09/76/28/300097628.db2.gz IJMXLUSZVXAEFB-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1=O ZINC000361461307 300097632 /nfs/dbraw/zinc/09/76/32/300097632.db2.gz IJMXLUSZVXAEFB-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NC[C@H](O)CN1CCc2ccccc2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000361780915 300124813 /nfs/dbraw/zinc/12/48/13/300124813.db2.gz MECUZVJQNRVSMA-RBUKOAKNSA-N 1 3 343.471 0.864 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000362694426 300210713 /nfs/dbraw/zinc/21/07/13/300210713.db2.gz OOSSYFSYXUYOIY-AEFFLSMTSA-N 1 3 345.491 0.908 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000362694426 300210716 /nfs/dbraw/zinc/21/07/16/300210716.db2.gz OOSSYFSYXUYOIY-AEFFLSMTSA-N 1 3 345.491 0.908 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000362694431 300210755 /nfs/dbraw/zinc/21/07/55/300210755.db2.gz OOSSYFSYXUYOIY-SJLPKXTDSA-N 1 3 345.491 0.908 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000362694431 300210757 /nfs/dbraw/zinc/21/07/57/300210757.db2.gz OOSSYFSYXUYOIY-SJLPKXTDSA-N 1 3 345.491 0.908 20 0 ECADHO CCN1CCN(C(=O)NCCCC[NH+]2CCN(CC)CC2)CC1 ZINC000071935796 436032532 /nfs/dbraw/zinc/03/25/32/436032532.db2.gz HDDILSYYCIGXLU-UHFFFAOYSA-N 1 3 325.501 0.751 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC(CC[NH+](C)C)CC2)CC1=O ZINC000073643164 436083712 /nfs/dbraw/zinc/08/37/12/436083712.db2.gz WLYNEAVIWPPMBG-MRXNPFEDSA-N 1 3 338.496 0.587 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000075007445 436148047 /nfs/dbraw/zinc/14/80/47/436148047.db2.gz PMUXENSDXRXSFV-INIZCTEOSA-N 1 3 341.496 0.793 20 0 ECADHO CC[NH+](CC)CCCN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000372809515 301031715 /nfs/dbraw/zinc/03/17/15/301031715.db2.gz YRRZYROKAPERCX-MRXNPFEDSA-N 1 3 331.526 0.959 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375214910 301159071 /nfs/dbraw/zinc/15/90/71/301159071.db2.gz OGDGLFQERQVWOY-BRWVUGGUSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375214910 301159074 /nfs/dbraw/zinc/15/90/74/301159074.db2.gz OGDGLFQERQVWOY-BRWVUGGUSA-N 1 3 337.512 0.748 20 0 ECADHO COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075835055 436176436 /nfs/dbraw/zinc/17/64/36/436176436.db2.gz HZHZWHMJMCHMDA-OAHLLOKOSA-N 1 3 325.453 0.816 20 0 ECADHO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075835055 436176442 /nfs/dbraw/zinc/17/64/42/436176442.db2.gz HZHZWHMJMCHMDA-OAHLLOKOSA-N 1 3 325.453 0.816 20 0 ECADHO CN1CC[C@H](C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)[C@H]1c1ccccc1 ZINC000377764130 301374104 /nfs/dbraw/zinc/37/41/04/301374104.db2.gz SMOJZEZFGCFCQV-NVXWUHKLSA-N 1 3 342.443 0.867 20 0 ECADHO CC(C)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nncn1C ZINC000516170688 301658093 /nfs/dbraw/zinc/65/80/93/301658093.db2.gz WAPLHPCDHLPVSV-CQSZACIVSA-N 1 3 339.488 0.647 20 0 ECADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000516585131 301671904 /nfs/dbraw/zinc/67/19/04/301671904.db2.gz VTJDFJCGDINUPF-AWEZNQCLSA-N 1 3 347.463 0.530 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000104415002 436558928 /nfs/dbraw/zinc/55/89/28/436558928.db2.gz MVLUSPGMVWNTFD-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000104415002 436558930 /nfs/dbraw/zinc/55/89/30/436558930.db2.gz MVLUSPGMVWNTFD-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CCN(c2cnccn2)CC1 ZINC000530880586 302033373 /nfs/dbraw/zinc/03/33/73/302033373.db2.gz OJICHGZZSZBEHH-UHFFFAOYSA-N 1 3 348.495 0.645 20 0 ECADHO Cc1oc(-c2cnn(C)c2)nc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530992360 302037412 /nfs/dbraw/zinc/03/74/12/302037412.db2.gz AMOAFWNYUBDBOD-UHFFFAOYSA-N 1 3 348.451 0.949 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000547297633 302254315 /nfs/dbraw/zinc/25/43/15/302254315.db2.gz FZRCRYKYOFRWLU-RDJZCZTQSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551720017 302361242 /nfs/dbraw/zinc/36/12/42/302361242.db2.gz SOHUIENFTFHJIF-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000237173548 436725771 /nfs/dbraw/zinc/72/57/71/436725771.db2.gz JIFAZXLAXCFYSX-LJQANCHMSA-N 1 3 346.475 0.984 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)CN1CCN(C)CC1 ZINC000246365437 436776766 /nfs/dbraw/zinc/77/67/66/436776766.db2.gz PZDRTINZSWYRMP-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)CN1CCN(C)CC1 ZINC000246365437 436776770 /nfs/dbraw/zinc/77/67/70/436776770.db2.gz PZDRTINZSWYRMP-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)N[C@@H](C)C2)CC1=O ZINC000247300014 436792031 /nfs/dbraw/zinc/79/20/31/436792031.db2.gz OXJSOUBTIASDMG-XUWVNRHRSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)N[C@@H](C)C2)CC1=O ZINC000247300014 436792034 /nfs/dbraw/zinc/79/20/34/436792034.db2.gz OXJSOUBTIASDMG-XUWVNRHRSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248391635 436802579 /nfs/dbraw/zinc/80/25/79/436802579.db2.gz DKJPHTASQDVXNF-HYVNUMGLSA-N 1 3 346.475 0.991 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1=O ZINC000129159988 436823863 /nfs/dbraw/zinc/82/38/63/436823863.db2.gz UCBYFEBFGXCGRD-KRWDZBQOSA-N 1 3 346.475 0.775 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261782417 436887943 /nfs/dbraw/zinc/88/79/43/436887943.db2.gz JQNSRMARQMWHEJ-INIZCTEOSA-N 1 3 346.475 0.984 20 0 ECADHO CN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000162614875 436911320 /nfs/dbraw/zinc/91/13/20/436911320.db2.gz UWJMXWUDLJKRFF-QZTJIDSGSA-N 1 3 330.476 1.000 20 0 ECADHO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000162614875 436911324 /nfs/dbraw/zinc/91/13/24/436911324.db2.gz UWJMXWUDLJKRFF-QZTJIDSGSA-N 1 3 330.476 1.000 20 0 ECADHO N[C@@H](CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000262830321 303372206 /nfs/dbraw/zinc/37/22/06/303372206.db2.gz UXNKTJWIRYKZKS-HOTGVXAUSA-N 1 3 332.448 0.923 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000331491755 437104971 /nfs/dbraw/zinc/10/49/71/437104971.db2.gz JQIXDSTYPCBTBE-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000331491755 437104973 /nfs/dbraw/zinc/10/49/73/437104973.db2.gz JQIXDSTYPCBTBE-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C1CCCC1 ZINC000420091577 303415302 /nfs/dbraw/zinc/41/53/02/303415302.db2.gz UXQGLNLVTHWCQZ-CVEARBPZSA-N 1 3 336.480 0.707 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331987117 437191022 /nfs/dbraw/zinc/19/10/22/437191022.db2.gz UDBUCYPSGFRJLH-XUWVNRHRSA-N 1 3 336.480 0.563 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000332579633 437234260 /nfs/dbraw/zinc/23/42/60/437234260.db2.gz AWTAVECXSHDXGE-OAGGEKHMSA-N 1 3 336.480 0.659 20 0 ECADHO CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000339630877 437480665 /nfs/dbraw/zinc/48/06/65/437480665.db2.gz IXEWTOJJRXEAQJ-INIZCTEOSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000339630877 437480668 /nfs/dbraw/zinc/48/06/68/437480668.db2.gz IXEWTOJJRXEAQJ-INIZCTEOSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000339667940 437487545 /nfs/dbraw/zinc/48/75/45/437487545.db2.gz LOGMOAOAEDAPOK-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000343144226 437515003 /nfs/dbraw/zinc/51/50/03/437515003.db2.gz HSDSOKFDDJJAPN-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000343144226 437515007 /nfs/dbraw/zinc/51/50/07/437515007.db2.gz HSDSOKFDDJJAPN-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000339922043 437519993 /nfs/dbraw/zinc/51/99/93/437519993.db2.gz INHBFYIXWXVUAM-AWEZNQCLSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H](C)N(C)C)C1)[NH+](C)C ZINC000343190435 437529437 /nfs/dbraw/zinc/52/94/37/437529437.db2.gz BJMAGDAQMVGDPW-GEEKYZPCSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)C)C1)N(C)C ZINC000343190435 437529441 /nfs/dbraw/zinc/52/94/41/437529441.db2.gz BJMAGDAQMVGDPW-GEEKYZPCSA-N 1 3 340.512 0.925 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCN2CCC([NH+](C)C)CC2)C1(C)C ZINC000188247009 437537575 /nfs/dbraw/zinc/53/75/75/437537575.db2.gz FSZHDFQFLWWRDY-CRAIPNDOSA-N 1 3 340.512 0.661 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000339667596 437488913 /nfs/dbraw/zinc/48/89/13/437488913.db2.gz UHWLKCRLTRDVJN-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(F)cc1 ZINC000360206865 437556897 /nfs/dbraw/zinc/55/68/97/437556897.db2.gz CKFGHPAPSKNDBK-IRXDYDNUSA-N 1 3 334.439 0.935 20 0 ECADHO CN(C)C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(F)cc1 ZINC000360206865 437556902 /nfs/dbraw/zinc/55/69/02/437556902.db2.gz CKFGHPAPSKNDBK-IRXDYDNUSA-N 1 3 334.439 0.935 20 0 ECADHO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[C@H](F)CN1 ZINC000188783578 437573079 /nfs/dbraw/zinc/57/30/79/437573079.db2.gz ROAUVMGDPQQUMM-DOTOQJQBSA-N 1 3 335.423 0.960 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340434054 437646134 /nfs/dbraw/zinc/64/61/34/437646134.db2.gz RHEJSQSVABNFFF-BBRMVZONSA-N 1 3 344.525 0.386 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343781719 437655387 /nfs/dbraw/zinc/65/53/87/437655387.db2.gz MRCIQBOZKLZEAH-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000343781719 437655391 /nfs/dbraw/zinc/65/53/91/437655391.db2.gz MRCIQBOZKLZEAH-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)[N-]c1cnns1 ZINC000191982876 437660429 /nfs/dbraw/zinc/66/04/29/437660429.db2.gz ZDLMJRZXGCLORT-UHFFFAOYSA-N 1 3 342.469 0.209 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000340985166 437770939 /nfs/dbraw/zinc/77/09/39/437770939.db2.gz IFYSCEJYTBSRFC-BRWVUGGUSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000340985166 437770946 /nfs/dbraw/zinc/77/09/46/437770946.db2.gz IFYSCEJYTBSRFC-BRWVUGGUSA-N 1 3 337.512 0.796 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000356501859 437773070 /nfs/dbraw/zinc/77/30/70/437773070.db2.gz GQPMFDAVLAIQOD-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000356501859 437773073 /nfs/dbraw/zinc/77/30/73/437773073.db2.gz GQPMFDAVLAIQOD-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000340790093 437736016 /nfs/dbraw/zinc/73/60/16/437736016.db2.gz HRKMENGSYJYVQV-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1=CCN(C)CC1 ZINC000340796057 437736334 /nfs/dbraw/zinc/73/63/34/437736334.db2.gz JWULYYKCLBLJCK-NUEKZKHPSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1=CCN(C)CC1 ZINC000340796057 437736336 /nfs/dbraw/zinc/73/63/36/437736336.db2.gz JWULYYKCLBLJCK-NUEKZKHPSA-N 1 3 334.464 0.496 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c(OCCN(C)C)c1 ZINC000415538164 437818612 /nfs/dbraw/zinc/81/86/12/437818612.db2.gz RAVKUNOZMDBIAA-CQSZACIVSA-N 1 3 348.447 0.727 20 0 ECADHO CN(C)CCN(Cc1ccccc1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423737385 437819838 /nfs/dbraw/zinc/81/98/38/437819838.db2.gz TYALNRMYAXUDOD-KRWDZBQOSA-N 1 3 346.475 0.835 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c2)CC1 ZINC000415550194 437820465 /nfs/dbraw/zinc/82/04/65/437820465.db2.gz INZTXYFMGVNRRN-AWEZNQCLSA-N 1 3 347.463 0.621 20 0 ECADHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000356624384 437801072 /nfs/dbraw/zinc/80/10/72/437801072.db2.gz DGTXCIPCAFZYOC-INIZCTEOSA-N 1 3 328.501 0.221 20 0 ECADHO C[NH+](C)CCn1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)n1 ZINC000364210471 437812490 /nfs/dbraw/zinc/81/24/90/437812490.db2.gz DZIVYOWMFPLCPR-DXCKQFNASA-N 1 3 335.452 0.916 20 0 ECADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000415870019 437875390 /nfs/dbraw/zinc/87/53/90/437875390.db2.gz SCHYWHUEFCXBLX-INIZCTEOSA-N 1 3 348.447 0.572 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000423772132 437830393 /nfs/dbraw/zinc/83/03/93/437830393.db2.gz KMAWINVRFQZHKK-KFWWJZLASA-N 1 3 332.452 0.729 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000423896202 437851262 /nfs/dbraw/zinc/85/12/62/437851262.db2.gz GLSSIZFMUXBKEE-UNEWFSDZSA-N 1 3 336.480 0.561 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000423896202 437851268 /nfs/dbraw/zinc/85/12/68/437851268.db2.gz GLSSIZFMUXBKEE-UNEWFSDZSA-N 1 3 336.480 0.561 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000415813414 437863800 /nfs/dbraw/zinc/86/38/00/437863800.db2.gz GEKLIGKXZBWHAX-CJNGLKHVSA-N 1 3 346.431 0.386 20 0 ECADHO CCN(CC)CCCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000357175421 437928319 /nfs/dbraw/zinc/92/83/19/437928319.db2.gz MHCIMFGHBNKPJR-UHFFFAOYSA-N 1 3 333.498 0.391 20 0 ECADHO COCCN(CCN(C)C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415967582 437883567 /nfs/dbraw/zinc/88/35/67/437883567.db2.gz WZASGUWSDUJCFM-CQSZACIVSA-N 1 3 335.452 0.940 20 0 ECADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357094429 437912736 /nfs/dbraw/zinc/91/27/36/437912736.db2.gz ZPBCDHKGNXBGFX-XJKSGUPXSA-N 1 3 336.480 0.420 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCN2CCC(O)CC2)c1 ZINC000424454895 437943792 /nfs/dbraw/zinc/94/37/92/437943792.db2.gz MPJCUJJNZXBHEY-UHFFFAOYSA-N 1 3 348.447 0.355 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000342688478 438050560 /nfs/dbraw/zinc/05/05/60/438050560.db2.gz BFZVNHUIYHDTRE-CYBMUJFWSA-N 1 3 329.441 0.273 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000342516243 438023467 /nfs/dbraw/zinc/02/34/67/438023467.db2.gz SJHJOIQVBHJTEI-SFHVURJKSA-N 1 3 334.464 0.657 20 0 ECADHO COCC[NH2+]CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417116536 438023868 /nfs/dbraw/zinc/02/38/68/438023868.db2.gz PNTCHKDVWUZUPV-UHFFFAOYSA-N 1 3 344.525 0.883 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)NCCN(CC)C2CC2)CC1 ZINC000357681936 438040831 /nfs/dbraw/zinc/04/08/31/438040831.db2.gz NPXQEAVJAOGVCH-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO C[NH2+]CCCNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417364171 438044245 /nfs/dbraw/zinc/04/42/45/438044245.db2.gz HBUVKQYLCMEGMM-UHFFFAOYSA-N 1 3 334.468 0.502 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)CN1 ZINC000417427047 438048158 /nfs/dbraw/zinc/04/81/58/438048158.db2.gz IIFUCDCACUUQBN-QLFBSQMISA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)CN1 ZINC000417427047 438048161 /nfs/dbraw/zinc/04/81/61/438048161.db2.gz IIFUCDCACUUQBN-QLFBSQMISA-N 1 3 339.484 0.321 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000416884953 437998137 /nfs/dbraw/zinc/99/81/37/437998137.db2.gz LALDKJUWOIOHSL-GOSISDBHSA-N 1 3 345.491 0.937 20 0 ECADHO C[C@@H]1CCN(C(=O)NC2CCN(CCN(C)C)CC2)C[C@H]1C[NH3+] ZINC000416980421 438009888 /nfs/dbraw/zinc/00/98/88/438009888.db2.gz UEKIYPPANQQJJX-HUUCEWRRSA-N 1 3 325.501 0.639 20 0 ECADHO C[C@H]1CCN[C@@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1 ZINC000417783412 438080840 /nfs/dbraw/zinc/08/08/40/438080840.db2.gz NDINDVQSJRQADW-SMDDNHRTSA-N 1 3 340.449 0.250 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000342905932 438085676 /nfs/dbraw/zinc/08/56/76/438085676.db2.gz UUMUOALGSLXFEC-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000417955852 438094028 /nfs/dbraw/zinc/09/40/28/438094028.db2.gz SGBHJYYFPFHBBK-OAHLLOKOSA-N 1 3 335.452 0.915 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)CC[NH2+]1 ZINC000417947918 438095405 /nfs/dbraw/zinc/09/54/05/438095405.db2.gz IJFUUIZHSOQXNF-ZFWWWQNUSA-N 1 3 335.452 0.962 20 0 ECADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417474127 438054179 /nfs/dbraw/zinc/05/41/79/438054179.db2.gz MJZOCFPDTMCISN-BBRMVZONSA-N 1 3 347.463 0.609 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000417511354 438056976 /nfs/dbraw/zinc/05/69/76/438056976.db2.gz YVFAADRNDQPGND-MSOLQXFVSA-N 1 3 346.475 0.839 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000417511354 438056982 /nfs/dbraw/zinc/05/69/82/438056982.db2.gz YVFAADRNDQPGND-MSOLQXFVSA-N 1 3 346.475 0.839 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417480406 438057164 /nfs/dbraw/zinc/05/71/64/438057164.db2.gz UXCNXCZREYLBHK-ZDUSSCGKSA-N 1 3 335.452 0.372 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366411273 438069035 /nfs/dbraw/zinc/06/90/35/438069035.db2.gz IGLZSTIAUNAEAF-FUHWJXTLSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366411273 438069039 /nfs/dbraw/zinc/06/90/39/438069039.db2.gz IGLZSTIAUNAEAF-FUHWJXTLSA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCC[C@@H]1C(=O)N(C1CC1)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000357974106 438113837 /nfs/dbraw/zinc/11/38/37/438113837.db2.gz MJMGSSIMOOQMOV-GVDBMIGSSA-N 1 3 348.491 0.767 20 0 ECADHO CN1CCC[C@@H]1C(=O)N(C1CC1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000357974106 438113844 /nfs/dbraw/zinc/11/38/44/438113844.db2.gz MJMGSSIMOOQMOV-GVDBMIGSSA-N 1 3 348.491 0.767 20 0 ECADHO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)[C@H](c1ccccc1)N(C)C ZINC000418189273 438118380 /nfs/dbraw/zinc/11/83/80/438118380.db2.gz VGMIJYKSJQJVNQ-USXIJHARSA-N 1 3 333.480 0.881 20 0 ECADHO C[NH2+]CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418288249 438126354 /nfs/dbraw/zinc/12/63/54/438126354.db2.gz VZGFKDOBULWDJR-IRXDYDNUSA-N 1 3 334.464 0.778 20 0 ECADHO C[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)N1CCN(C)CC1 ZINC000358028942 438128213 /nfs/dbraw/zinc/12/82/13/438128213.db2.gz PVTDNJRZJLFTAP-INIZCTEOSA-N 1 3 339.528 0.012 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]C1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418311754 438128602 /nfs/dbraw/zinc/12/86/02/438128602.db2.gz GCPZXXQHVFRNLZ-IEBWSBKVSA-N 1 3 346.475 0.922 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@H]([NH3+])C(C)C)C(=O)NCCN(C)C ZINC000418385477 438137737 /nfs/dbraw/zinc/13/77/37/438137737.db2.gz LLVRRKHZZLVTAV-KBPBESRZSA-N 1 3 329.489 0.361 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000358071949 438142365 /nfs/dbraw/zinc/14/23/65/438142365.db2.gz YGRZYDCAXRPKPL-LJQANCHMSA-N 1 3 346.475 0.625 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000431026007 438142420 /nfs/dbraw/zinc/14/24/20/438142420.db2.gz VOXPMNMGNAAOGT-OAHLLOKOSA-N 1 3 326.485 0.145 20 0 ECADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)N[C@H]1CCC[NH2+]C1 ZINC000418502292 438150382 /nfs/dbraw/zinc/15/03/82/438150382.db2.gz UURRPKGJPWHOHM-FGTMMUONSA-N 1 3 346.475 0.921 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418755920 438181916 /nfs/dbraw/zinc/18/19/16/438181916.db2.gz IKUJSQUKIPMFCI-LBPRGKRZSA-N 1 3 334.411 0.518 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418751620 438183465 /nfs/dbraw/zinc/18/34/65/438183465.db2.gz RLNJKWRFXPGHMO-HZPDHXFCSA-N 1 3 326.485 0.911 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000418771076 438184121 /nfs/dbraw/zinc/18/41/21/438184121.db2.gz RKFNXMZMZBHALK-LSDHHAIUSA-N 1 3 328.457 0.117 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418843397 438211678 /nfs/dbraw/zinc/21/16/78/438211678.db2.gz RSYDQXGMYMOLNI-AWEZNQCLSA-N 1 3 326.485 0.857 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000418860938 438221766 /nfs/dbraw/zinc/22/17/66/438221766.db2.gz FYGAWIZYVZONGC-HUUCEWRRSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCCC[NH3+])C1 ZINC000418861589 438221828 /nfs/dbraw/zinc/22/18/28/438221828.db2.gz GUAKSBLRKYKSNP-AWEZNQCLSA-N 1 3 326.485 0.858 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000418865088 438224617 /nfs/dbraw/zinc/22/46/17/438224617.db2.gz LOMVUFMLTHOZAQ-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418876144 438233383 /nfs/dbraw/zinc/23/33/83/438233383.db2.gz LOBIINMLZHUKLO-PVAVHDDUSA-N 1 3 346.475 0.390 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418883164 438235208 /nfs/dbraw/zinc/23/52/08/438235208.db2.gz ZZLYLEYPAQGHNB-GOEBONIOSA-N 1 3 334.464 0.247 20 0 ECADHO [NH3+]C[C@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000358515377 438242776 /nfs/dbraw/zinc/24/27/76/438242776.db2.gz NWKLXHXMQSFTPM-SFHVURJKSA-N 1 3 346.475 0.775 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000433386201 438244000 /nfs/dbraw/zinc/24/40/00/438244000.db2.gz NVPGHDAXSHUALB-CQSZACIVSA-N 1 3 335.452 0.384 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418831401 438204880 /nfs/dbraw/zinc/20/48/80/438204880.db2.gz GFSQFMDUAVIWQA-SJORKVTESA-N 1 3 346.475 0.391 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000418951045 438261219 /nfs/dbraw/zinc/26/12/19/438261219.db2.gz RKSVGKOILOKDNW-HNNXBMFYSA-N 1 3 344.459 0.659 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000418961901 438266468 /nfs/dbraw/zinc/26/64/68/438266468.db2.gz KEIGFSUIABGXOT-HNNXBMFYSA-N 1 3 346.475 0.834 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418992416 438274389 /nfs/dbraw/zinc/27/43/89/438274389.db2.gz FWPSPEQSQWMUQY-ZIAGYGMSSA-N 1 3 340.468 0.208 20 0 ECADHO CN(CCCNC(=O)C(=O)NC1CC[NH2+]CC1)Cc1ccccc1 ZINC000418995475 438277327 /nfs/dbraw/zinc/27/73/27/438277327.db2.gz JAAYLVBIQOAPLX-UHFFFAOYSA-N 1 3 332.448 0.493 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419027226 438296452 /nfs/dbraw/zinc/29/64/52/438296452.db2.gz OCGDFZBTVWOHGQ-RBSFLKMASA-N 1 3 326.485 0.585 20 0 ECADHO CN(CCCNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419006065 438281257 /nfs/dbraw/zinc/28/12/57/438281257.db2.gz SJQVYDXAOJYSBO-SJORKVTESA-N 1 3 346.475 0.868 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN(C)Cc2ccccc2)CC[NH2+]1 ZINC000419009013 438282925 /nfs/dbraw/zinc/28/29/25/438282925.db2.gz WQXVWMKTHKFDJY-WBVHZDCISA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@]2(O)CCN(C)C2)([NH+](C)C)C1 ZINC000358720913 438291297 /nfs/dbraw/zinc/29/12/97/438291297.db2.gz MSJRDYKRFPSYLB-HYVNUMGLSA-N 1 3 326.485 0.863 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000419025761 438292785 /nfs/dbraw/zinc/29/27/85/438292785.db2.gz MUNLVDBSTIDPHC-XHSDSOJGSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419096454 438319251 /nfs/dbraw/zinc/31/92/51/438319251.db2.gz CMPPCPHFAVFCJA-BZUAXINKSA-N 1 3 338.496 0.953 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1=O ZINC000368385223 438322585 /nfs/dbraw/zinc/32/25/85/438322585.db2.gz MQFJTUDQLPSCPO-VQHPVUNQSA-N 1 3 348.491 0.530 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419140771 438342759 /nfs/dbraw/zinc/34/27/59/438342759.db2.gz WBZKMKLDVAOVIE-UHFFFAOYSA-N 1 3 338.477 0.412 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000419142951 438345717 /nfs/dbraw/zinc/34/57/17/438345717.db2.gz DAFGXDDNZCBSGH-OWCLPIDISA-N 1 3 338.496 0.809 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419049145 438304222 /nfs/dbraw/zinc/30/42/22/438304222.db2.gz XBQWLFROWVBRLO-ZIAGYGMSSA-N 1 3 326.485 0.585 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000358817439 438308063 /nfs/dbraw/zinc/30/80/63/438308063.db2.gz CAYKZMVIHOUYKI-RBSFLKMASA-N 1 3 340.512 0.878 20 0 ECADHO NC[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000434672068 438313334 /nfs/dbraw/zinc/31/33/34/438313334.db2.gz XLJXLFWAOMKBMI-DLBZAZTESA-N 1 3 340.427 0.824 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420159053 438389789 /nfs/dbraw/zinc/38/97/89/438389789.db2.gz HPKVPQYUJYUPOB-RBSFLKMASA-N 1 3 338.496 0.679 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000419160986 438348616 /nfs/dbraw/zinc/34/86/16/438348616.db2.gz RBAPHBSJCFXYHM-JKSUJKDBSA-N 1 3 338.496 0.681 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000419380468 438354842 /nfs/dbraw/zinc/35/48/42/438354842.db2.gz XRFOSEUOZVWYFZ-HZPDHXFCSA-N 1 3 340.512 0.973 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000419383326 438355624 /nfs/dbraw/zinc/35/56/24/438355624.db2.gz ZYSJQOPZBYISDM-HZPDHXFCSA-N 1 3 340.512 0.959 20 0 ECADHO CC(C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000435361065 438360797 /nfs/dbraw/zinc/36/07/97/438360797.db2.gz CWZHFSRINONQBO-UKRRQHHQSA-N 1 3 339.461 0.985 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]1CN ZINC000419528555 438363010 /nfs/dbraw/zinc/36/30/10/438363010.db2.gz WJVPFCJLOGDKOK-SLTXQBBLSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000419756958 438371990 /nfs/dbraw/zinc/37/19/90/438371990.db2.gz BVACBSZZOCTVJF-PBHICJAKSA-N 1 3 346.475 0.867 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000368733343 438373736 /nfs/dbraw/zinc/37/37/36/438373736.db2.gz SDYJFVJQQRINQH-UHFFFAOYSA-N 1 3 344.500 0.443 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000368733343 438373739 /nfs/dbraw/zinc/37/37/39/438373739.db2.gz SDYJFVJQQRINQH-UHFFFAOYSA-N 1 3 344.500 0.443 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000419855577 438375461 /nfs/dbraw/zinc/37/54/61/438375461.db2.gz DBQMPZJBGGHMHW-KRWDZBQOSA-N 1 3 346.475 0.739 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419971259 438378732 /nfs/dbraw/zinc/37/87/32/438378732.db2.gz WLKNSTGZDBMWON-HZPDHXFCSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390722251 438433841 /nfs/dbraw/zinc/43/38/41/438433841.db2.gz GAKZQCYIDXDRBV-HNNXBMFYSA-N 1 3 332.448 0.445 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420392386 438405221 /nfs/dbraw/zinc/40/52/21/438405221.db2.gz PLNMHNXEWOUQBA-DLBZAZTESA-N 1 3 334.464 0.455 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)C1CC1 ZINC000359324282 438412045 /nfs/dbraw/zinc/41/20/45/438412045.db2.gz QOTAUXXWXWOJSO-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC000359324282 438412050 /nfs/dbraw/zinc/41/20/50/438412050.db2.gz QOTAUXXWXWOJSO-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000438885197 438488725 /nfs/dbraw/zinc/48/87/25/438488725.db2.gz SKLCPFWPPHCRED-HOCLYGCPSA-N 1 3 330.432 0.875 20 0 ECADHO COCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000438885197 438488730 /nfs/dbraw/zinc/48/87/30/438488730.db2.gz SKLCPFWPPHCRED-HOCLYGCPSA-N 1 3 330.432 0.875 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1(C)C ZINC000440984875 438573494 /nfs/dbraw/zinc/57/34/94/438573494.db2.gz SMVKAZHYHVWCFQ-OAHLLOKOSA-N 1 3 337.512 0.796 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1(C)C ZINC000440984875 438573496 /nfs/dbraw/zinc/57/34/96/438573496.db2.gz SMVKAZHYHVWCFQ-OAHLLOKOSA-N 1 3 337.512 0.796 20 0 ECADHO COC[C@@H](CCC[NH3+])N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423046859 438631948 /nfs/dbraw/zinc/63/19/48/438631948.db2.gz GETZPUWWYCYQEM-QZTJIDSGSA-N 1 3 349.475 0.800 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423133275 438641184 /nfs/dbraw/zinc/64/11/84/438641184.db2.gz QALJUAADEMRYIR-OAHLLOKOSA-N 1 3 326.485 0.620 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)o1 ZINC000423165174 438644516 /nfs/dbraw/zinc/64/45/16/438644516.db2.gz ARDGMWNZTFGJPS-CQSZACIVSA-N 1 3 336.436 0.428 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@@H](C)C1 ZINC000410734566 438645815 /nfs/dbraw/zinc/64/58/15/438645815.db2.gz YTKMWDKQWOXQOA-YHUYYLMFSA-N 1 3 336.480 0.338 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@@H](C)C1 ZINC000410734566 438645818 /nfs/dbraw/zinc/64/58/18/438645818.db2.gz YTKMWDKQWOXQOA-YHUYYLMFSA-N 1 3 336.480 0.338 20 0 ECADHO CNS(=O)(=O)c1ccc([C@H](C)NCCN2CC[NH2+]CC2)cc1 ZINC000423200856 438648644 /nfs/dbraw/zinc/64/86/44/438648644.db2.gz GSIGWAXDZKBBKF-ZDUSSCGKSA-N 1 3 326.466 0.151 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423237646 438652271 /nfs/dbraw/zinc/65/22/71/438652271.db2.gz QERIAQJFBXJYNX-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000410806864 438660697 /nfs/dbraw/zinc/66/06/97/438660697.db2.gz GHEOWIGXAZAKGZ-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CN(CCNC(=O)c1cn(CCCC[NH3+])nn1)Cc1ccccc1 ZINC000423350656 438664839 /nfs/dbraw/zinc/66/48/39/438664839.db2.gz GOBAFKVOMQRCLZ-UHFFFAOYSA-N 1 3 330.436 0.879 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423358227 438664982 /nfs/dbraw/zinc/66/49/82/438664982.db2.gz BMGDYEFSPWBJFE-UHFFFAOYSA-N 1 3 338.477 0.588 20 0 ECADHO COC[C@]1(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]C1 ZINC000423348786 438665237 /nfs/dbraw/zinc/66/52/37/438665237.db2.gz UZJYZTBYJUENBC-UXLLHSPISA-N 1 3 327.469 0.618 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423378266 438668035 /nfs/dbraw/zinc/66/80/35/438668035.db2.gz WJSZLTQEAIAJJC-LSDHHAIUSA-N 1 3 348.447 0.238 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000414775048 438718257 /nfs/dbraw/zinc/71/82/57/438718257.db2.gz BJENCHBXHYPWBV-LLVKDONJSA-N 1 3 336.411 0.866 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C1CC1 ZINC000414868356 438718899 /nfs/dbraw/zinc/71/88/99/438718899.db2.gz AGQKWRNIMZZFKY-MRXNPFEDSA-N 1 3 330.432 0.727 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000574785327 438719976 /nfs/dbraw/zinc/71/99/76/438719976.db2.gz KICHBMRCBJGVJI-BZUAXINKSA-N 1 3 325.501 0.557 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CCC1 ZINC000415078651 438729056 /nfs/dbraw/zinc/72/90/56/438729056.db2.gz GQNKXEBQANLTRU-UHFFFAOYSA-N 1 3 348.447 0.905 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N(CC[NH3+])CCc2ccccc2)n1 ZINC000415210469 438738378 /nfs/dbraw/zinc/73/83/78/438738378.db2.gz HWCXMTATWGARLD-UHFFFAOYSA-N 1 3 344.463 1.480 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000553327783 438749428 /nfs/dbraw/zinc/74/94/28/438749428.db2.gz QEJVMVLLZICKSA-OAHLLOKOSA-N 1 3 331.464 0.791 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000577221781 438825456 /nfs/dbraw/zinc/82/54/56/438825456.db2.gz ZQTCHIRXEKLKEJ-ZIAGYGMSSA-N 1 3 342.484 0.234 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000514726692 438826506 /nfs/dbraw/zinc/82/65/06/438826506.db2.gz HFWUJEBHAUHEOG-ZIAGYGMSSA-N 1 3 347.463 0.656 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577394936 438838817 /nfs/dbraw/zinc/83/88/17/438838817.db2.gz HQVCELXVYNIKST-HUUCEWRRSA-N 1 3 337.468 0.073 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000509814601 438808367 /nfs/dbraw/zinc/80/83/67/438808367.db2.gz LHGALEBBGIYBFQ-DZKIICNBSA-N 1 3 326.485 0.570 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)N1CCC(C)CC1 ZINC000578122499 438898261 /nfs/dbraw/zinc/89/82/61/438898261.db2.gz XOKKTDISOYIZPI-UGUYLWEFSA-N 1 3 336.480 0.419 20 0 ECADHO C[C@H](CNC(=O)Nc1cnc(N2CCNCC2)nc1)C[NH+]1CCCC1 ZINC000516259790 438898349 /nfs/dbraw/zinc/89/83/49/438898349.db2.gz LKHMUUBOUSLQGK-CQSZACIVSA-N 1 3 347.467 0.740 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000577708752 438864633 /nfs/dbraw/zinc/86/46/33/438864633.db2.gz JPALRXNZUXHFEO-UHFFFAOYSA-N 1 3 347.463 0.461 20 0 ECADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)CN1CCOCC1 ZINC000564852915 438878947 /nfs/dbraw/zinc/87/89/47/438878947.db2.gz UQGMIRUIAQDEOI-KURKYZTESA-N 1 3 341.496 0.037 20 0 ECADHO COC(=O)c1cn([C@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)nn1 ZINC000595890373 438879910 /nfs/dbraw/zinc/87/99/10/438879910.db2.gz CTRQSUWEWQTDRR-QWHCGFSZSA-N 1 3 335.408 0.223 20 0 ECADHO COC(=O)CCCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595909780 438884661 /nfs/dbraw/zinc/88/46/61/438884661.db2.gz DHQCWAGQOIRAHU-AWEZNQCLSA-N 1 3 335.452 0.952 20 0 ECADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccco1 ZINC000578052940 438891522 /nfs/dbraw/zinc/89/15/22/438891522.db2.gz OUNLGCJPWZGXDH-KKUMJFAQSA-N 1 3 337.468 0.993 20 0 ECADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000578322471 438914809 /nfs/dbraw/zinc/91/48/09/438914809.db2.gz GBZNVRZXPFGCGJ-MRXNPFEDSA-N 1 3 336.480 0.483 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000565109227 438917040 /nfs/dbraw/zinc/91/70/40/438917040.db2.gz CXSBQEAZGDELAE-UHFFFAOYSA-N 1 3 338.456 0.677 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000516879079 438932540 /nfs/dbraw/zinc/93/25/40/438932540.db2.gz KZJDZYPUWGTXLT-DOTOQJQBSA-N 1 3 346.475 0.615 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000517233243 438956887 /nfs/dbraw/zinc/95/68/87/438956887.db2.gz MAPGESWMJMUGQE-DOTOQJQBSA-N 1 3 344.459 0.577 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000517233243 438956891 /nfs/dbraw/zinc/95/68/91/438956891.db2.gz MAPGESWMJMUGQE-DOTOQJQBSA-N 1 3 344.459 0.577 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000565823673 438978872 /nfs/dbraw/zinc/97/88/72/438978872.db2.gz PBCKZBWEWXXFSE-CVEARBPZSA-N 1 3 325.501 0.639 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000565823673 438978877 /nfs/dbraw/zinc/97/88/77/438978877.db2.gz PBCKZBWEWXXFSE-CVEARBPZSA-N 1 3 325.501 0.639 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000517943130 438981448 /nfs/dbraw/zinc/98/14/48/438981448.db2.gz MGCYTFGEWBPADW-SFHVURJKSA-N 1 3 332.448 0.736 20 0 ECADHO O=C(NCc1ccccc1)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000579241046 438992420 /nfs/dbraw/zinc/99/24/20/438992420.db2.gz JIIOWXCYYCCORD-UHFFFAOYSA-N 1 3 330.476 0.920 20 0 ECADHO CN1CCC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1cccs1 ZINC000579936315 439049675 /nfs/dbraw/zinc/04/96/75/439049675.db2.gz CRQAHLGHCPJBAY-RISCZKNCSA-N 1 3 336.461 0.335 20 0 ECADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000460010915 439055688 /nfs/dbraw/zinc/05/56/88/439055688.db2.gz HOINMACZHZRGNW-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000460010915 439055691 /nfs/dbraw/zinc/05/56/91/439055691.db2.gz HOINMACZHZRGNW-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CCn1ccnc1CN(C(=O)[C@H](CN)OC)[C@@H]1CC12CC[NH2+]CC2 ZINC000579475241 439011910 /nfs/dbraw/zinc/01/19/10/439011910.db2.gz YLNWVHJFXRMDSJ-UONOGXRCSA-N 1 3 335.452 0.347 20 0 ECADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000459894619 439026334 /nfs/dbraw/zinc/02/63/34/439026334.db2.gz IIWPBRAYUZYJRB-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000459894619 439026337 /nfs/dbraw/zinc/02/63/37/439026337.db2.gz IIWPBRAYUZYJRB-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)CC2 ZINC000519364386 439029486 /nfs/dbraw/zinc/02/94/86/439029486.db2.gz SIZQJEBISNKFNY-XUWVNRHRSA-N 1 3 336.480 0.574 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000459910891 439030750 /nfs/dbraw/zinc/03/07/50/439030750.db2.gz SYEPBXFIJDZCEX-GOSISDBHSA-N 1 3 338.496 0.587 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000459910891 439030757 /nfs/dbraw/zinc/03/07/57/439030757.db2.gz SYEPBXFIJDZCEX-GOSISDBHSA-N 1 3 338.496 0.587 20 0 ECADHO O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCC[C@H]1CN1CCCC1 ZINC000519381505 439031393 /nfs/dbraw/zinc/03/13/93/439031393.db2.gz RCTLEQVFXNTSEZ-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO CCN1CCC(NC(=O)CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000566304455 439038416 /nfs/dbraw/zinc/03/84/16/439038416.db2.gz ZHBCBTJCPGXTOC-OAHLLOKOSA-N 1 3 338.496 0.274 20 0 ECADHO C[C@@H]1CCCCN1CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602469440 439092746 /nfs/dbraw/zinc/09/27/46/439092746.db2.gz SZWCOLWAQDOSFH-PEBXRYMYSA-N 1 3 329.510 0.868 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000602512067 439102863 /nfs/dbraw/zinc/10/28/63/439102863.db2.gz VUAVPURPCKEJLQ-QGZVFWFLSA-N 1 3 341.452 0.133 20 0 ECADHO CN1CCC[C@@H]2CN(C(=O)C3([S@](C)=O)CC[NH2+]CC3)CC[C@H]21 ZINC000602515402 439103599 /nfs/dbraw/zinc/10/35/99/439103599.db2.gz XJQMLVNJWIVVHB-SOHPYSCWSA-N 1 3 327.494 0.430 20 0 ECADHO CN(C)C1(CNC(=O)N2CCCO[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000521411019 439117447 /nfs/dbraw/zinc/11/74/47/439117447.db2.gz SWCZLLQJLMRIQI-QGZVFWFLSA-N 1 3 346.475 0.845 20 0 ECADHO [NH3+][C@H]1CCC[C@H](NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000580658112 439117781 /nfs/dbraw/zinc/11/77/81/439117781.db2.gz BXLJTPHQFVCVBH-GJZGRUSLSA-N 1 3 332.452 0.375 20 0 ECADHO N[C@H]1CCC[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000580658112 439117785 /nfs/dbraw/zinc/11/77/85/439117785.db2.gz BXLJTPHQFVCVBH-GJZGRUSLSA-N 1 3 332.452 0.375 20 0 ECADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000460078292 439076087 /nfs/dbraw/zinc/07/60/87/439076087.db2.gz RICDJBUIRNJNQL-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000460078292 439076089 /nfs/dbraw/zinc/07/60/89/439076089.db2.gz RICDJBUIRNJNQL-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000580302517 439078678 /nfs/dbraw/zinc/07/86/78/439078678.db2.gz YLOJPJQWLKAMSV-HYVNUMGLSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000602441893 439085002 /nfs/dbraw/zinc/08/50/02/439085002.db2.gz GHLDODICQYUXGP-UHFFFAOYSA-N 1 3 337.468 0.030 20 0 ECADHO C[N@@H+](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000602441893 439085007 /nfs/dbraw/zinc/08/50/07/439085007.db2.gz GHLDODICQYUXGP-UHFFFAOYSA-N 1 3 337.468 0.030 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)CN3CCCNC3=O)CC2)CC1 ZINC000523303682 439166797 /nfs/dbraw/zinc/16/67/97/439166797.db2.gz BBZZDHSLTAKCTB-UHFFFAOYSA-N 1 3 337.468 0.077 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)CC1)N(C)C ZINC000479858833 439121690 /nfs/dbraw/zinc/12/16/90/439121690.db2.gz DSZJFBFVRMDRNP-VGWMRTNUSA-N 1 3 340.512 0.925 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CCO1 ZINC000521587366 439123014 /nfs/dbraw/zinc/12/30/14/439123014.db2.gz OFDLYFPFRBGOIA-CQSZACIVSA-N 1 3 342.509 0.717 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000580768976 439127132 /nfs/dbraw/zinc/12/71/32/439127132.db2.gz MNUVGRLXVUQTHK-AWEZNQCLSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000567477874 439144808 /nfs/dbraw/zinc/14/48/08/439144808.db2.gz KLCWXMXPPDLPEF-CVEARBPZSA-N 1 3 347.463 0.773 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000567499436 439147890 /nfs/dbraw/zinc/14/78/90/439147890.db2.gz ZQGGZDFXVBZWBW-WBVHZDCISA-N 1 3 326.485 0.002 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)ccn1 ZINC000580941911 439149913 /nfs/dbraw/zinc/14/99/13/439149913.db2.gz KGRWATRKQWVGGZ-HOTGVXAUSA-N 1 3 347.463 0.773 20 0 ECADHO C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC(C)CC1 ZINC000580949669 439151233 /nfs/dbraw/zinc/15/12/33/439151233.db2.gz STEFYTDOZLNJLB-LSDHHAIUSA-N 1 3 334.468 0.880 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000487749703 439162717 /nfs/dbraw/zinc/16/27/17/439162717.db2.gz MDNSSXKATCBUMB-SJORKVTESA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000487749703 439162721 /nfs/dbraw/zinc/16/27/21/439162721.db2.gz MDNSSXKATCBUMB-SJORKVTESA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000568215611 439226398 /nfs/dbraw/zinc/22/63/98/439226398.db2.gz ZXIVVJYMVHELBZ-CRAIPNDOSA-N 1 3 331.460 0.864 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000568215611 439226403 /nfs/dbraw/zinc/22/64/03/439226403.db2.gz ZXIVVJYMVHELBZ-CRAIPNDOSA-N 1 3 331.460 0.864 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CN1Cc1ccccc1 ZINC000568372822 439242362 /nfs/dbraw/zinc/24/23/62/439242362.db2.gz UIJWPNKQQREYIX-BPQIPLTHSA-N 1 3 345.491 0.852 20 0 ECADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581776961 439253563 /nfs/dbraw/zinc/25/35/63/439253563.db2.gz IZNSZYNWPZGYBI-CABCVRRESA-N 1 3 325.501 0.781 20 0 ECADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581776961 439253567 /nfs/dbraw/zinc/25/35/67/439253567.db2.gz IZNSZYNWPZGYBI-CABCVRRESA-N 1 3 325.501 0.781 20 0 ECADHO C[C@H](NC(=O)C(=O)NC1CNC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582476692 439339050 /nfs/dbraw/zinc/33/90/50/439339050.db2.gz GTJAYTVKJGOGHH-ZFWWWQNUSA-N 1 3 330.432 0.101 20 0 ECADHO C[C@H](NC(=O)C(=O)NC1CNC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582476692 439339055 /nfs/dbraw/zinc/33/90/55/439339055.db2.gz GTJAYTVKJGOGHH-ZFWWWQNUSA-N 1 3 330.432 0.101 20 0 ECADHO Cc1nccn1CCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604188446 439300576 /nfs/dbraw/zinc/30/05/76/439300576.db2.gz SRNVOHVNYRRYPS-OAHLLOKOSA-N 1 3 334.468 0.659 20 0 ECADHO Cc1nccn1CCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604188446 439300583 /nfs/dbraw/zinc/30/05/83/439300583.db2.gz SRNVOHVNYRRYPS-OAHLLOKOSA-N 1 3 334.468 0.659 20 0 ECADHO Cc1nccn1CCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604188446 439300585 /nfs/dbraw/zinc/30/05/85/439300585.db2.gz SRNVOHVNYRRYPS-OAHLLOKOSA-N 1 3 334.468 0.659 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H](C[NH3+])c3ccccc3)C2)nn1 ZINC000569102458 439304917 /nfs/dbraw/zinc/30/49/17/439304917.db2.gz QGLMKGMLVAFNCG-CVEARBPZSA-N 1 3 328.420 0.643 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000569840650 439367830 /nfs/dbraw/zinc/36/78/30/439367830.db2.gz DXXSXMLCNNXAOC-QLFBSQMISA-N 1 3 334.468 0.880 20 0 ECADHO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000582719661 439371744 /nfs/dbraw/zinc/37/17/44/439371744.db2.gz AVUAUVGHRBRRNF-NVXWUHKLSA-N 1 3 333.480 0.690 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccccc1CC[NH3+] ZINC000569860422 439368679 /nfs/dbraw/zinc/36/86/79/439368679.db2.gz XMLMQPMLUGEZRG-QGZVFWFLSA-N 1 3 346.475 0.860 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000570939786 439461843 /nfs/dbraw/zinc/46/18/43/439461843.db2.gz MLWKTFDFNZABJG-OAHLLOKOSA-N 1 3 346.475 0.936 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000571261554 439488139 /nfs/dbraw/zinc/48/81/39/439488139.db2.gz MLZIXDXHTLIWBD-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000583984690 439534280 /nfs/dbraw/zinc/53/42/80/439534280.db2.gz BNYSSIUQIYDVKI-VQHPVUNQSA-N 1 3 348.491 0.578 20 0 ECADHO CCOC(=O)NCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000492632128 439554160 /nfs/dbraw/zinc/55/41/60/439554160.db2.gz FXCUYKTXPDNWLD-AWEZNQCLSA-N 1 3 328.457 0.607 20 0 ECADHO CCOC(=O)NCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000492632128 439554161 /nfs/dbraw/zinc/55/41/61/439554161.db2.gz FXCUYKTXPDNWLD-AWEZNQCLSA-N 1 3 328.457 0.607 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCn2cnc3ccccc3c2=O)C1 ZINC000584470573 439591222 /nfs/dbraw/zinc/59/12/22/439591222.db2.gz PNGBDTYYGRIZSC-CQSZACIVSA-N 1 3 343.431 0.183 20 0 ECADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)C1 ZINC000572699776 439602701 /nfs/dbraw/zinc/60/27/01/439602701.db2.gz QZVWZEFEOBQTIG-VQIMIIECSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)C1 ZINC000572699776 439602704 /nfs/dbraw/zinc/60/27/04/439602704.db2.gz QZVWZEFEOBQTIG-VQIMIIECSA-N 1 3 348.491 0.627 20 0 ECADHO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CCN2C1=O ZINC000594881770 439639713 /nfs/dbraw/zinc/63/97/13/439639713.db2.gz JOYRAKOCYKIASP-ZACQAIPSSA-N 1 3 342.443 0.421 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000612446595 439709454 /nfs/dbraw/zinc/70/94/54/439709454.db2.gz VNNFJNXQMKCTAD-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000612486931 439716760 /nfs/dbraw/zinc/71/67/60/439716760.db2.gz UQDNLHSMNVICLJ-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000574038114 439680460 /nfs/dbraw/zinc/68/04/60/439680460.db2.gz WEVZVGNGDREQIE-ZDUSSCGKSA-N 1 3 332.448 0.735 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000612971088 439747783 /nfs/dbraw/zinc/74/77/83/439747783.db2.gz MNIDKCNCAQDWAM-JKSUJKDBSA-N 1 3 335.496 0.550 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000612547390 439728025 /nfs/dbraw/zinc/72/80/25/439728025.db2.gz CQBGIPRQXCNMOT-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000612547390 439728027 /nfs/dbraw/zinc/72/80/27/439728027.db2.gz CQBGIPRQXCNMOT-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923105 439745810 /nfs/dbraw/zinc/74/58/10/439745810.db2.gz NGJKQAUNUBIEFZ-CHWSQXEVSA-N 1 3 335.456 0.056 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923108 439745814 /nfs/dbraw/zinc/74/58/14/439745814.db2.gz NGJKQAUNUBIEFZ-OLZOCXBDSA-N 1 3 335.456 0.056 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662726481 439860663 /nfs/dbraw/zinc/86/06/63/439860663.db2.gz HXBWXVYZLGGPLA-UHFFFAOYSA-N 1 3 336.480 0.707 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000652522590 439881882 /nfs/dbraw/zinc/88/18/82/439881882.db2.gz NOTHJSCEXDHIDD-OAHLLOKOSA-N 1 3 326.485 0.491 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000652522590 439881891 /nfs/dbraw/zinc/88/18/91/439881891.db2.gz NOTHJSCEXDHIDD-OAHLLOKOSA-N 1 3 326.485 0.491 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000652698408 439925244 /nfs/dbraw/zinc/92/52/44/439925244.db2.gz CMYJMEMSSSURSN-INIZCTEOSA-N 1 3 338.496 0.955 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cn1 ZINC000652624649 439896207 /nfs/dbraw/zinc/89/62/07/439896207.db2.gz MFVXMPWOKATCBD-AWEZNQCLSA-N 1 3 336.440 0.017 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1nc2ncccn2n1 ZINC000617504877 439897935 /nfs/dbraw/zinc/89/79/35/439897935.db2.gz NUHSMJLQAAYFRF-ZDUSSCGKSA-N 1 3 333.440 0.055 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1nc2ncccn2n1 ZINC000617504877 439897941 /nfs/dbraw/zinc/89/79/41/439897941.db2.gz NUHSMJLQAAYFRF-ZDUSSCGKSA-N 1 3 333.440 0.055 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000617504119 439897982 /nfs/dbraw/zinc/89/79/82/439897982.db2.gz HRGDUGWNEIZVMR-KBPBESRZSA-N 1 3 327.473 0.165 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000617504119 439897985 /nfs/dbraw/zinc/89/79/85/439897985.db2.gz HRGDUGWNEIZVMR-KBPBESRZSA-N 1 3 327.473 0.165 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn(-c2cccnc2)nn1 ZINC000617503489 439898103 /nfs/dbraw/zinc/89/81/03/439898103.db2.gz LKKMRCXQUIVYFW-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn(-c2cccnc2)nn1 ZINC000617503489 439898112 /nfs/dbraw/zinc/89/81/12/439898112.db2.gz LKKMRCXQUIVYFW-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO CCOC1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCOCC1 ZINC000617503599 439898994 /nfs/dbraw/zinc/89/89/94/439898994.db2.gz QAAMCIVRYMRNKW-HNNXBMFYSA-N 1 3 329.485 0.960 20 0 ECADHO CCOC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCOCC1 ZINC000617503599 439898998 /nfs/dbraw/zinc/89/89/98/439898998.db2.gz QAAMCIVRYMRNKW-HNNXBMFYSA-N 1 3 329.485 0.960 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626825479 439900152 /nfs/dbraw/zinc/90/01/52/439900152.db2.gz WSUUECZFHYPCFS-CYBMUJFWSA-N 1 3 348.447 0.952 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626825479 439900159 /nfs/dbraw/zinc/90/01/59/439900159.db2.gz WSUUECZFHYPCFS-CYBMUJFWSA-N 1 3 348.447 0.952 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662834666 439908260 /nfs/dbraw/zinc/90/82/60/439908260.db2.gz IMRBFFAPDIABMF-IIAWOOMASA-N 1 3 332.452 0.777 20 0 ECADHO CC1(C)[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1N ZINC000641803610 439918764 /nfs/dbraw/zinc/91/87/64/439918764.db2.gz UHZPOCPIIPGCEP-UONOGXRCSA-N 1 3 332.452 0.231 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CNCCO2)cc1 ZINC000662866855 439919298 /nfs/dbraw/zinc/91/92/98/439919298.db2.gz LAPIRURXXFRRBD-IKGGRYGDSA-N 1 3 333.432 0.635 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000626866463 439919573 /nfs/dbraw/zinc/91/95/73/439919573.db2.gz UDTBPCZLODYJJS-UONOGXRCSA-N 1 3 348.447 0.952 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000626987156 439981648 /nfs/dbraw/zinc/98/16/48/439981648.db2.gz ZEBONWFAGYUXEC-HRCADAONSA-N 1 3 325.501 0.700 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000636567341 439936332 /nfs/dbraw/zinc/93/63/32/439936332.db2.gz CMMMWPJBICECQX-XIRDDKMYSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000636567341 439936336 /nfs/dbraw/zinc/93/63/36/439936336.db2.gz CMMMWPJBICECQX-XIRDDKMYSA-N 1 3 348.491 0.863 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)N1CCCCC1 ZINC000642084347 439945435 /nfs/dbraw/zinc/94/54/35/439945435.db2.gz FXGWISBOPOIGAK-KKUMJFAQSA-N 1 3 336.480 0.563 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000662927937 439947074 /nfs/dbraw/zinc/94/70/74/439947074.db2.gz JKNCATZQSKJFDX-UHFFFAOYSA-N 1 3 346.475 0.917 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1CCC([NH2+]CCO)CC1)c1ccccc1 ZINC000631863534 439951608 /nfs/dbraw/zinc/95/16/08/439951608.db2.gz ZVLWSWJWXSDWSE-GOSISDBHSA-N 1 3 348.491 0.452 20 0 ECADHO CC1CCN([C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)c2ccccc2)CC1 ZINC000642113280 439951564 /nfs/dbraw/zinc/95/15/64/439951564.db2.gz ZLWZLSULBGNUFQ-KRWDZBQOSA-N 1 3 344.459 0.664 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000642253795 439962281 /nfs/dbraw/zinc/96/22/81/439962281.db2.gz HYMPSQFQTGKVOF-QGZVFWFLSA-N 1 3 346.475 0.741 20 0 ECADHO NC1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCCC1 ZINC000663015562 439988859 /nfs/dbraw/zinc/98/88/59/439988859.db2.gz WCCLDISMPKTZDX-CQSZACIVSA-N 1 3 346.479 0.797 20 0 ECADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1CC[NH2+]C1 ZINC000627019739 439992849 /nfs/dbraw/zinc/99/28/49/439992849.db2.gz NEDHPWWLQCQGBN-SJORKVTESA-N 1 3 332.448 0.939 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CCCCC1 ZINC000642785747 440038223 /nfs/dbraw/zinc/03/82/23/440038223.db2.gz GSRMIHHWCCQEKC-JKSUJKDBSA-N 1 3 336.480 0.611 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000642699730 440007551 /nfs/dbraw/zinc/00/75/51/440007551.db2.gz JCPRNSQWGYLFKF-IJEWVQPXSA-N 1 3 332.448 0.477 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000642785846 440038443 /nfs/dbraw/zinc/03/84/43/440038443.db2.gz MVBMTMQVXJRRLX-INIZCTEOSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000636869298 440073329 /nfs/dbraw/zinc/07/33/29/440073329.db2.gz MSOUCTGPSAHISW-CKEIUWERSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000636869298 440073335 /nfs/dbraw/zinc/07/33/35/440073335.db2.gz MSOUCTGPSAHISW-CKEIUWERSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@H](N(C)S(=O)(=O)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000632026366 440045745 /nfs/dbraw/zinc/04/57/45/440045745.db2.gz DQARFSLDMMXJRJ-HZPDHXFCSA-N 1 3 346.541 0.368 20 0 ECADHO C[C@@H]1C[C@H](N(C)S(=O)(=O)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC000632026366 440045748 /nfs/dbraw/zinc/04/57/48/440045748.db2.gz DQARFSLDMMXJRJ-HZPDHXFCSA-N 1 3 346.541 0.368 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642900719 440052903 /nfs/dbraw/zinc/05/29/03/440052903.db2.gz QLAHPCPJBSPDDC-FVPDABNVSA-N 1 3 334.464 0.471 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663616157 440121366 /nfs/dbraw/zinc/12/13/66/440121366.db2.gz QLGBOQNPFQQNQU-QGZVFWFLSA-N 1 3 334.420 0.564 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643370861 440127000 /nfs/dbraw/zinc/12/70/00/440127000.db2.gz QPKMPKCBDXBVQK-MRXNPFEDSA-N 1 3 345.447 0.283 20 0 ECADHO CCN(C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)[C@H]1CCN(CC)C1 ZINC000658820935 440134443 /nfs/dbraw/zinc/13/44/43/440134443.db2.gz HJJKFQCBDAMUPV-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO C[N@H+](CCCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC1 ZINC000643394386 440136964 /nfs/dbraw/zinc/13/69/64/440136964.db2.gz FLYTXJIEZWGKNF-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO C[N@@H+](CCCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC1 ZINC000643394386 440136970 /nfs/dbraw/zinc/13/69/70/440136970.db2.gz FLYTXJIEZWGKNF-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000653214120 440094550 /nfs/dbraw/zinc/09/45/50/440094550.db2.gz HRAFZYFYTHTHNU-INIZCTEOSA-N 1 3 332.448 0.432 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000627287100 440097166 /nfs/dbraw/zinc/09/71/66/440097166.db2.gz KFCFZRVFPULOBM-IBGZPJMESA-N 1 3 346.475 0.965 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CCO1 ZINC000647865369 440174483 /nfs/dbraw/zinc/17/44/83/440174483.db2.gz HNXXZTDYHUONTG-USXIJHARSA-N 1 3 334.464 0.454 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)CC2 ZINC000643526226 440200885 /nfs/dbraw/zinc/20/08/85/440200885.db2.gz VMLIYOSOJIXCNY-LVQVYYBASA-N 1 3 336.480 0.656 20 0 ECADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC(C)C)CC[C@@H]1[NH3+] ZINC000643482916 440181884 /nfs/dbraw/zinc/18/18/84/440181884.db2.gz WOVGUHBQRAHQPY-GJZGRUSLSA-N 1 3 326.485 0.618 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC[C@H]1[NH3+] ZINC000643494643 440187551 /nfs/dbraw/zinc/18/75/51/440187551.db2.gz SDTAYOBLDMIZGS-OWCLPIDISA-N 1 3 336.480 0.659 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C[C@H]21 ZINC000643504172 440188569 /nfs/dbraw/zinc/18/85/69/440188569.db2.gz NTNPBFVHINYIOS-QKPAOTATSA-N 1 3 334.464 0.269 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643524269 440198600 /nfs/dbraw/zinc/19/86/00/440198600.db2.gz BFZCRMUADDCRTL-GDBMZVCRSA-N 1 3 348.447 0.380 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627364656 440154945 /nfs/dbraw/zinc/15/49/45/440154945.db2.gz UVMZOEWVPCIGIR-GASCZTMLSA-N 1 3 326.485 0.668 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627364656 440154954 /nfs/dbraw/zinc/15/49/54/440154954.db2.gz UVMZOEWVPCIGIR-GASCZTMLSA-N 1 3 326.485 0.668 20 0 ECADHO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659038618 440212033 /nfs/dbraw/zinc/21/20/33/440212033.db2.gz UFWYZRZZRKHHNS-NVXWUHKLSA-N 1 3 334.420 0.536 20 0 ECADHO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659038618 440212039 /nfs/dbraw/zinc/21/20/39/440212039.db2.gz UFWYZRZZRKHHNS-NVXWUHKLSA-N 1 3 334.420 0.536 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000643593613 440217272 /nfs/dbraw/zinc/21/72/72/440217272.db2.gz AIHKUJDHNMIERO-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[NH2+]1 ZINC000627481775 440233191 /nfs/dbraw/zinc/23/31/91/440233191.db2.gz ICYQSZMJGPHXHJ-HUUCEWRRSA-N 1 3 336.480 0.720 20 0 ECADHO CCCNC(=O)CN(C)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976744 440202424 /nfs/dbraw/zinc/20/24/24/440202424.db2.gz SYRDIHAZKZIRNJ-CVEARBPZSA-N 1 3 338.496 0.683 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000643545400 440207293 /nfs/dbraw/zinc/20/72/93/440207293.db2.gz LHELIZWXTGCZFG-XFIYOXNOSA-N 1 3 334.464 0.267 20 0 ECADHO C[C@H](CCNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+](C)C ZINC000659094642 440241893 /nfs/dbraw/zinc/24/18/93/440241893.db2.gz ORWJZDRBAXWVDA-CJNGLKHVSA-N 1 3 348.447 0.742 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)[NH+](C)C ZINC000659093796 440240986 /nfs/dbraw/zinc/24/09/86/440240986.db2.gz DCVDUGRAYDYPJN-LBPRGKRZSA-N 1 3 334.420 0.564 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659100043 440247127 /nfs/dbraw/zinc/24/71/27/440247127.db2.gz MPHXQBAAVXKAJQ-UHFFFAOYSA-N 1 3 348.447 0.953 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648153411 440245418 /nfs/dbraw/zinc/24/54/18/440245418.db2.gz HXHAOAKELNYBTQ-UHFFFAOYSA-N 1 3 330.476 0.579 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000627503162 440245546 /nfs/dbraw/zinc/24/55/46/440245546.db2.gz BEZFMQXRLUTKOF-GXTWGEPZSA-N 1 3 338.477 0.505 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)C2)nn1 ZINC000648177648 440252885 /nfs/dbraw/zinc/25/28/85/440252885.db2.gz LGNQLKLLOLTNJK-VXGBXAGGSA-N 1 3 328.367 0.145 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000659113684 440259608 /nfs/dbraw/zinc/25/96/08/440259608.db2.gz XTMURYCQKBPGEN-ZDUSSCGKSA-N 1 3 336.436 0.598 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000664220681 440263889 /nfs/dbraw/zinc/26/38/89/440263889.db2.gz XRRJBPDOCIVJIO-KGLIPLIRSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[N@H+]1C ZINC000664220681 440263893 /nfs/dbraw/zinc/26/38/93/440263893.db2.gz XRRJBPDOCIVJIO-KGLIPLIRSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CN1C1CC1 ZINC000664367585 440298732 /nfs/dbraw/zinc/29/87/32/440298732.db2.gz LVGXQWLRZBYJRO-KEYYUXOJSA-N 1 3 336.480 0.852 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CN1C1CC1 ZINC000664367585 440298737 /nfs/dbraw/zinc/29/87/37/440298737.db2.gz LVGXQWLRZBYJRO-KEYYUXOJSA-N 1 3 336.480 0.852 20 0 ECADHO C[NH+](C)CC1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCCC1 ZINC000659482318 440339434 /nfs/dbraw/zinc/33/94/34/440339434.db2.gz NNNUKZBNFDWHCZ-UHFFFAOYSA-N 1 3 336.440 0.562 20 0 ECADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000654540674 440341895 /nfs/dbraw/zinc/34/18/95/440341895.db2.gz HADKICATOMPRLO-ZWKOTPCHSA-N 1 3 346.475 0.751 20 0 ECADHO CCNC(=O)CN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654543984 440342890 /nfs/dbraw/zinc/34/28/90/440342890.db2.gz HSYHUPUMVILEQJ-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CC[N@@H+]1C ZINC000648928861 440360378 /nfs/dbraw/zinc/36/03/78/440360378.db2.gz DEWJUHOVSXOEEI-HZPDHXFCSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CC[N@H+]1C ZINC000648928861 440360383 /nfs/dbraw/zinc/36/03/83/440360383.db2.gz DEWJUHOVSXOEEI-HZPDHXFCSA-N 1 3 338.496 0.239 20 0 ECADHO C[NH+](C)Cc1cccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659436254 440324880 /nfs/dbraw/zinc/32/48/80/440324880.db2.gz JUPXYTVDZUCQCJ-UHFFFAOYSA-N 1 3 344.419 0.702 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000654659684 440373000 /nfs/dbraw/zinc/37/30/00/440373000.db2.gz IYPFMVXZLRLIHU-YESZJQIVSA-N 1 3 337.512 0.748 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)c(OCCN(C)C)c1 ZINC000633040310 440418115 /nfs/dbraw/zinc/41/81/15/440418115.db2.gz WMJXBDPQQFRPIE-ZIAGYGMSSA-N 1 3 348.447 0.822 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659685155 440419078 /nfs/dbraw/zinc/41/90/78/440419078.db2.gz ONKZWYHDBVBFSV-PMPSAXMXSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000659686984 440420976 /nfs/dbraw/zinc/42/09/76/440420976.db2.gz BEUSBFRDWRDOHZ-DOTOQJQBSA-N 1 3 348.491 0.983 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000659690700 440425370 /nfs/dbraw/zinc/42/53/70/440425370.db2.gz SCCGGBZZPHQHAE-UONOGXRCSA-N 1 3 347.463 0.447 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)CCO1 ZINC000649274674 440427299 /nfs/dbraw/zinc/42/72/99/440427299.db2.gz UKBSEIDYZKGZNG-HUUCEWRRSA-N 1 3 325.453 0.596 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCNCC2(C)C)CC1=O ZINC000649273810 440427546 /nfs/dbraw/zinc/42/75/46/440427546.db2.gz LWCWWNUEUYLVJN-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCNCC2(C)C)CC1=O ZINC000649273810 440427551 /nfs/dbraw/zinc/42/75/51/440427551.db2.gz LWCWWNUEUYLVJN-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000659622797 440378587 /nfs/dbraw/zinc/37/85/87/440378587.db2.gz WBHOQLGUHCUHGQ-HUUCEWRRSA-N 1 3 339.484 0.308 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@H]21 ZINC000659631705 440384965 /nfs/dbraw/zinc/38/49/65/440384965.db2.gz ZRDYHPRATKNKCE-DGCLKSJQSA-N 1 3 334.424 0.267 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@H]21 ZINC000659631705 440384971 /nfs/dbraw/zinc/38/49/71/440384971.db2.gz ZRDYHPRATKNKCE-DGCLKSJQSA-N 1 3 334.424 0.267 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334065 440469499 /nfs/dbraw/zinc/46/94/99/440469499.db2.gz GLOLBCMTSZKLRZ-HKUYNNGSSA-N 1 3 342.487 0.986 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334065 440469505 /nfs/dbraw/zinc/46/95/05/440469505.db2.gz GLOLBCMTSZKLRZ-HKUYNNGSSA-N 1 3 342.487 0.986 20 0 ECADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334065 440469510 /nfs/dbraw/zinc/46/95/10/440469510.db2.gz GLOLBCMTSZKLRZ-HKUYNNGSSA-N 1 3 342.487 0.986 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC[C@H]1[NH3+] ZINC000659738107 440475201 /nfs/dbraw/zinc/47/52/01/440475201.db2.gz ZYKOCCHEINTGCD-IIAWOOMASA-N 1 3 336.480 0.705 20 0 ECADHO CN(CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])CC(C)(C)C ZINC000638210040 440477918 /nfs/dbraw/zinc/47/79/18/440477918.db2.gz LYZRSXOWZNWIOM-CQSZACIVSA-N 1 3 326.485 0.810 20 0 ECADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633078342 440430758 /nfs/dbraw/zinc/43/07/58/440430758.db2.gz IBBDTQWGADLHNW-GJZGRUSLSA-N 1 3 348.422 0.289 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000638091487 440434908 /nfs/dbraw/zinc/43/49/08/440434908.db2.gz WBLDQCAFLSMAEF-QGZVFWFLSA-N 1 3 344.463 0.843 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000659704480 440438727 /nfs/dbraw/zinc/43/87/27/440438727.db2.gz NCKMWSWFVUPHJE-KBPBESRZSA-N 1 3 334.464 0.956 20 0 ECADHO COc1cccc([C@@H](N)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000638118375 440449979 /nfs/dbraw/zinc/44/99/79/440449979.db2.gz YTGKYJLKVDLAQF-MAUKXSAKSA-N 1 3 346.475 0.980 20 0 ECADHO COc1cccc([C@@H](N)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000638118375 440449986 /nfs/dbraw/zinc/44/99/86/440449986.db2.gz YTGKYJLKVDLAQF-MAUKXSAKSA-N 1 3 346.475 0.980 20 0 ECADHO COc1cccc([C@@H](N)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638118375 440449993 /nfs/dbraw/zinc/44/99/93/440449993.db2.gz YTGKYJLKVDLAQF-MAUKXSAKSA-N 1 3 346.475 0.980 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000659718885 440453410 /nfs/dbraw/zinc/45/34/10/440453410.db2.gz RHTJWCVYNGLISX-LSDHHAIUSA-N 1 3 338.496 0.999 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659718788 440454605 /nfs/dbraw/zinc/45/46/05/440454605.db2.gz RPXDMYISZWBKJI-AWEZNQCLSA-N 1 3 347.463 0.263 20 0 ECADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000638135799 440456292 /nfs/dbraw/zinc/45/62/92/440456292.db2.gz WFRIQDIXOKIUSA-NVXWUHKLSA-N 1 3 327.469 0.759 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659722428 440458335 /nfs/dbraw/zinc/45/83/35/440458335.db2.gz NWRXGDKCEYQEBC-MRXNPFEDSA-N 1 3 344.459 0.895 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000633148372 440459288 /nfs/dbraw/zinc/45/92/88/440459288.db2.gz UZULBKGXDADVNC-KBPBESRZSA-N 1 3 336.436 0.508 20 0 ECADHO CN1CCN(CC2CCN(C(=O)[C@]3(C[NH3+])CCCOC3)CC2)CC1 ZINC000638277763 440495388 /nfs/dbraw/zinc/49/53/88/440495388.db2.gz UUJSZRUXCPIRGW-SFHVURJKSA-N 1 3 338.496 0.228 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000638304275 440503814 /nfs/dbraw/zinc/50/38/14/440503814.db2.gz ZLIOJAHVSUIEQQ-ZACQAIPSSA-N 1 3 333.432 0.510 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000665639951 440509919 /nfs/dbraw/zinc/50/99/19/440509919.db2.gz JPVLYSAKPHELOO-KBPBESRZSA-N 1 3 343.516 0.861 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000665639951 440509922 /nfs/dbraw/zinc/50/99/22/440509922.db2.gz JPVLYSAKPHELOO-KBPBESRZSA-N 1 3 343.516 0.861 20 0 ECADHO CNC(=O)[C@]1(C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665762426 440523817 /nfs/dbraw/zinc/52/38/17/440523817.db2.gz DFEARQGVNOPPPU-WMLDXEAASA-N 1 3 341.500 0.426 20 0 ECADHO CNC(=O)[C@]1(C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665762426 440523822 /nfs/dbraw/zinc/52/38/22/440523822.db2.gz DFEARQGVNOPPPU-WMLDXEAASA-N 1 3 341.500 0.426 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000665762900 440527436 /nfs/dbraw/zinc/52/74/36/440527436.db2.gz TVAUANOXWNYOGT-UONOGXRCSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000665762900 440527440 /nfs/dbraw/zinc/52/74/40/440527440.db2.gz TVAUANOXWNYOGT-UONOGXRCSA-N 1 3 327.473 0.131 20 0 ECADHO O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655296465 440530870 /nfs/dbraw/zinc/53/08/70/440530870.db2.gz YWRAMFZYEBNMNN-ZWKOTPCHSA-N 1 3 329.444 0.712 20 0 ECADHO O=C(CC[N@H+]1CCc2ccccc2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655296465 440530877 /nfs/dbraw/zinc/53/08/77/440530877.db2.gz YWRAMFZYEBNMNN-ZWKOTPCHSA-N 1 3 329.444 0.712 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351357 440481509 /nfs/dbraw/zinc/48/15/09/440481509.db2.gz PKJCQKJVGGNNKG-ZIAGYGMSSA-N 1 3 332.439 0.621 20 0 ECADHO CN1CCN(CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](c2ccccc2)C1 ZINC000649350603 440481704 /nfs/dbraw/zinc/48/17/04/440481704.db2.gz RQZBWQFYOXGJAR-ZSYWTGECSA-N 1 3 342.487 0.947 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](N)CCC(C)C)CC1 ZINC000638429672 440538327 /nfs/dbraw/zinc/53/83/27/440538327.db2.gz MVUDNWCRTPZAST-HNNXBMFYSA-N 1 3 326.485 0.857 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000655974834 440664928 /nfs/dbraw/zinc/66/49/28/440664928.db2.gz RELOXUWZJQSASB-ZACQAIPSSA-N 1 3 335.496 0.692 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)C1=O ZINC000629541494 440721608 /nfs/dbraw/zinc/72/16/08/440721608.db2.gz VNAWCQCLENREAT-ZIAGYGMSSA-N 1 3 338.452 0.535 20 0 ECADHO CCCNC(=O)CN1CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629554186 440726450 /nfs/dbraw/zinc/72/64/50/440726450.db2.gz BXAZZBCDPCEZEI-MRXNPFEDSA-N 1 3 326.485 0.023 20 0 ECADHO CN(C)CCN1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000651153028 440760093 /nfs/dbraw/zinc/76/00/93/440760093.db2.gz WZRUGAFNDFADGD-OAHLLOKOSA-N 1 3 339.484 0.134 20 0 ECADHO CN(C)CCN1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000651153028 440760099 /nfs/dbraw/zinc/76/00/99/440760099.db2.gz WZRUGAFNDFADGD-OAHLLOKOSA-N 1 3 339.484 0.134 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCC1 ZINC000656327213 440770186 /nfs/dbraw/zinc/77/01/86/440770186.db2.gz COYBYYPEIOIQLK-GJZGRUSLSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCC1 ZINC000629805363 440770461 /nfs/dbraw/zinc/77/04/61/440770461.db2.gz YSWABWXURUGAMT-CALCHBBNSA-N 1 3 336.480 0.387 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000645263188 440772570 /nfs/dbraw/zinc/77/25/70/440772570.db2.gz MBJFULHWDBXORT-GJZGRUSLSA-N 1 3 339.484 0.480 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000645263188 440772573 /nfs/dbraw/zinc/77/25/73/440772573.db2.gz MBJFULHWDBXORT-GJZGRUSLSA-N 1 3 339.484 0.480 20 0 ECADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)CCO2 ZINC000645306128 440780491 /nfs/dbraw/zinc/78/04/91/440780491.db2.gz KKDCHQSBGIRKPT-INIZCTEOSA-N 1 3 336.480 0.977 20 0 ECADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@@H+](CC3CC3)C1)CCO2 ZINC000645306128 440780496 /nfs/dbraw/zinc/78/04/96/440780496.db2.gz KKDCHQSBGIRKPT-INIZCTEOSA-N 1 3 336.480 0.977 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NC[C@H]3CC[N@H+](C)C3)ccc2[nH]c1=O ZINC000635399915 440838536 /nfs/dbraw/zinc/83/85/36/440838536.db2.gz RSCJYYNFNXQQHY-CYBMUJFWSA-N 1 3 345.447 0.985 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NC[C@H]3CC[N@@H+](C)C3)ccc2[nH]c1=O ZINC000635399915 440838543 /nfs/dbraw/zinc/83/85/43/440838543.db2.gz RSCJYYNFNXQQHY-CYBMUJFWSA-N 1 3 345.447 0.985 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000661568206 440880806 /nfs/dbraw/zinc/88/08/06/440880806.db2.gz GFGRLHKMNMUUQO-HNNXBMFYSA-N 1 3 338.496 0.918 20 0 ECADHO C[N@@H+]1CCCN(CCCNC(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000635558101 440901086 /nfs/dbraw/zinc/90/10/86/440901086.db2.gz HUFQHMSYIZHTJO-UHFFFAOYSA-N 1 3 340.512 0.489 20 0 ECADHO C[N@H+]1CCCN(CCCNC(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000635558101 440901089 /nfs/dbraw/zinc/90/10/89/440901089.db2.gz HUFQHMSYIZHTJO-UHFFFAOYSA-N 1 3 340.512 0.489 20 0 ECADHO CN1CCC[N@H+](CCCNC(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000635558101 440901097 /nfs/dbraw/zinc/90/10/97/440901097.db2.gz HUFQHMSYIZHTJO-UHFFFAOYSA-N 1 3 340.512 0.489 20 0 ECADHO CN1CCC[N@@H+](CCCNC(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000635558101 440901104 /nfs/dbraw/zinc/90/11/04/440901104.db2.gz HUFQHMSYIZHTJO-UHFFFAOYSA-N 1 3 340.512 0.489 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635703122 440956341 /nfs/dbraw/zinc/95/63/41/440956341.db2.gz IEEZNZMNVSVXBU-INIZCTEOSA-N 1 3 348.491 0.627 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000645803160 440923099 /nfs/dbraw/zinc/92/30/99/440923099.db2.gz BQXODHGPOYGHLQ-JJRVBVJISA-N 1 3 335.452 0.916 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662260800 440998074 /nfs/dbraw/zinc/99/80/74/440998074.db2.gz QMHWBWIALXBPBA-KSZLIROESA-N 1 3 336.524 0.998 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662260800 440998075 /nfs/dbraw/zinc/99/80/75/440998075.db2.gz QMHWBWIALXBPBA-KSZLIROESA-N 1 3 336.524 0.998 20 0 ECADHO [NH3+]CCn1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)nn1 ZINC000662375230 441021198 /nfs/dbraw/zinc/02/11/98/441021198.db2.gz WFYKNLQOOLIDOL-OAHLLOKOSA-N 1 3 328.420 0.804 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000652238485 441034625 /nfs/dbraw/zinc/03/46/25/441034625.db2.gz IQQAVVPOYFGION-CVEARBPZSA-N 1 3 337.512 0.783 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662422040 441035181 /nfs/dbraw/zinc/03/51/81/441035181.db2.gz MPSJAEZFOPGOMS-UHFFFAOYSA-N 1 3 332.408 0.107 20 0 ECADHO COCC[N@H+](C)C[C@H](O)Cn1cc(CCN2CCCCC2)nn1 ZINC000641224130 441079826 /nfs/dbraw/zinc/07/98/26/441079826.db2.gz UCVBJRJPFSBDNK-INIZCTEOSA-N 1 3 325.457 0.246 20 0 ECADHO COCC[N@@H+](C)C[C@H](O)Cn1cc(CCN2CCCCC2)nn1 ZINC000641224130 441079828 /nfs/dbraw/zinc/07/98/28/441079828.db2.gz UCVBJRJPFSBDNK-INIZCTEOSA-N 1 3 325.457 0.246 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000641477986 441128350 /nfs/dbraw/zinc/12/83/50/441128350.db2.gz UWKBPAHNTMCMFP-SJLPKXTDSA-N 1 3 345.491 0.935 20 0 ECADHO COC(=O)[C@](C)(O)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000330734100 320856530 /nfs/dbraw/zinc/85/65/30/320856530.db2.gz LDXPPRPILKXXNX-CKEIUWERSA-N 1 3 328.453 0.732 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000340218644 321024141 /nfs/dbraw/zinc/02/41/41/321024141.db2.gz PABAPQTWCMSCCE-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCCN1CCN(CCO)CC1 ZINC000340233589 321026707 /nfs/dbraw/zinc/02/67/07/321026707.db2.gz XIMXDIVQUKEFCJ-IAGOWNOFSA-N 1 3 340.512 0.366 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000340252018 321029392 /nfs/dbraw/zinc/02/93/92/321029392.db2.gz FAYDGPBTLUCPTF-CABCVRRESA-N 1 3 336.480 0.744 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000340252018 321029393 /nfs/dbraw/zinc/02/93/93/321029393.db2.gz FAYDGPBTLUCPTF-CABCVRRESA-N 1 3 336.480 0.744 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000340267208 321033301 /nfs/dbraw/zinc/03/33/01/321033301.db2.gz ZBRXZHPGVCIFNR-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000340267205 321033311 /nfs/dbraw/zinc/03/33/11/321033311.db2.gz ZBRXZHPGVCIFNR-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N(C)C1CC1 ZINC000341987567 321071074 /nfs/dbraw/zinc/07/10/74/321071074.db2.gz YOLKKQBTRACRNK-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N(C)C1CC1 ZINC000341987567 321071075 /nfs/dbraw/zinc/07/10/75/321071075.db2.gz YOLKKQBTRACRNK-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000343022547 321118131 /nfs/dbraw/zinc/11/81/31/321118131.db2.gz ISFBIPPMSPLZNG-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO COc1cc(CNCC2=CC[N@H+](C)CC2)cc(OC)c1OCC(N)=O ZINC000345133538 321177821 /nfs/dbraw/zinc/17/78/21/321177821.db2.gz ANGUGZLOUQKKBX-UHFFFAOYSA-N 1 3 349.431 0.919 20 0 ECADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)cc(OC)c1OCC(N)=O ZINC000345133538 321177822 /nfs/dbraw/zinc/17/78/22/321177822.db2.gz ANGUGZLOUQKKBX-UHFFFAOYSA-N 1 3 349.431 0.919 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000347979464 321262277 /nfs/dbraw/zinc/26/22/77/321262277.db2.gz QZXGZSWVYKCDRD-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCC[C@@H]1C(=O)NC(C)(C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000348052674 321265590 /nfs/dbraw/zinc/26/55/90/321265590.db2.gz PFOUMUQAKZLIGE-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCC[C@@H]1C(=O)NC(C)(C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000348052674 321265591 /nfs/dbraw/zinc/26/55/91/321265591.db2.gz PFOUMUQAKZLIGE-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000349856405 321316866 /nfs/dbraw/zinc/31/68/66/321316866.db2.gz FQOCLXHZDMXOTD-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000352092495 321348493 /nfs/dbraw/zinc/34/84/93/321348493.db2.gz UDXCRMKEVWXLHC-HOCLYGCPSA-N 1 3 326.485 0.857 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000352092495 321348494 /nfs/dbraw/zinc/34/84/94/321348494.db2.gz UDXCRMKEVWXLHC-HOCLYGCPSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000545883747 322111220 /nfs/dbraw/zinc/11/12/20/322111220.db2.gz ZRYRWBDTXFJVSX-RDJZCZTQSA-N 1 3 326.485 0.720 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000545883747 322111222 /nfs/dbraw/zinc/11/12/22/322111222.db2.gz ZRYRWBDTXFJVSX-RDJZCZTQSA-N 1 3 326.485 0.720 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000557116227 322203877 /nfs/dbraw/zinc/20/38/77/322203877.db2.gz UDGJAEQLXZZJSC-DLBZAZTESA-N 1 3 337.512 0.700 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000560637344 322248040 /nfs/dbraw/zinc/24/80/40/322248040.db2.gz QJPIBLYXAWBTHI-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000562692449 322281262 /nfs/dbraw/zinc/28/12/62/322281262.db2.gz LISJNFSDBSYVAK-MRXNPFEDSA-N 1 3 338.496 0.753 20 0 ECADHO CN1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000562793806 322284630 /nfs/dbraw/zinc/28/46/30/322284630.db2.gz FAHOOYWKRXXFHO-ZWKOTPCHSA-N 1 3 345.491 0.935 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000562815861 322285801 /nfs/dbraw/zinc/28/58/01/322285801.db2.gz FMPHZPMJBAKQMS-SJLPKXTDSA-N 1 3 343.475 0.563 20 0 ECADHO CCCCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000562987110 322291353 /nfs/dbraw/zinc/29/13/53/322291353.db2.gz MIZYDAWXVMPGSL-QZTJIDSGSA-N 1 3 326.529 0.839 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000562987110 322291354 /nfs/dbraw/zinc/29/13/54/322291354.db2.gz MIZYDAWXVMPGSL-QZTJIDSGSA-N 1 3 326.529 0.839 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000562987110 322291355 /nfs/dbraw/zinc/29/13/55/322291355.db2.gz MIZYDAWXVMPGSL-QZTJIDSGSA-N 1 3 326.529 0.839 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCCS1 ZINC000566060688 322496354 /nfs/dbraw/zinc/49/63/54/322496354.db2.gz JHLUPIXHQXWWKP-AWEZNQCLSA-N 1 3 344.525 0.340 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000566236683 322516593 /nfs/dbraw/zinc/51/65/93/322516593.db2.gz INAMSNQTXNJODY-LZWOXQAQSA-N 1 3 334.464 0.518 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(CC2CCOCC2)CC1 ZINC000567990612 322608839 /nfs/dbraw/zinc/60/88/39/322608839.db2.gz NJUQDDQGXMGGFI-PMACEKPBSA-N 1 3 347.503 0.962 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000569260041 322649188 /nfs/dbraw/zinc/64/91/88/322649188.db2.gz JHWVGRQJGPVBJZ-CABCVRRESA-N 1 3 337.468 0.062 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CCN2 ZINC000569319470 322650319 /nfs/dbraw/zinc/65/03/19/322650319.db2.gz VODRIJWRJSSPNH-UHFFFAOYSA-N 1 3 347.463 0.545 20 0 ECADHO CCCN1C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000573107945 322756553 /nfs/dbraw/zinc/75/65/53/322756553.db2.gz GRUCZYYHWOARDV-HNNXBMFYSA-N 1 3 341.500 0.380 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574585693 322782029 /nfs/dbraw/zinc/78/20/29/322782029.db2.gz FIFDMPYUTWICKR-QAPCUYQASA-N 1 3 336.480 0.435 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000575139074 322791703 /nfs/dbraw/zinc/79/17/03/322791703.db2.gz WCECTFFSTSVKIG-JKSUJKDBSA-N 1 3 338.496 0.681 20 0 ECADHO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000576821205 322816972 /nfs/dbraw/zinc/81/69/72/322816972.db2.gz DAYQKEJOEVUMGE-AWEZNQCLSA-N 1 3 334.464 0.982 20 0 ECADHO CS[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1N(C)C ZINC000577862646 322848723 /nfs/dbraw/zinc/84/87/23/322848723.db2.gz FCJQISMENGADLN-ZIAGYGMSSA-N 1 3 325.482 0.562 20 0 ECADHO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[C@@H](N2CCCCC2)C1 ZINC000578440090 322864143 /nfs/dbraw/zinc/86/41/43/322864143.db2.gz HHGKHLYYOUJFKG-HUUCEWRRSA-N 1 3 332.452 0.731 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C[NH+]1CCCCC1 ZINC000578524517 322867006 /nfs/dbraw/zinc/86/70/06/322867006.db2.gz ILOJDMBIQIPEBP-RBSFLKMASA-N 1 3 337.468 0.062 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000579212207 322889258 /nfs/dbraw/zinc/88/92/58/322889258.db2.gz JEXYKIJRICVKMY-INIZCTEOSA-N 1 3 332.448 0.562 20 0 ECADHO C[C@H](CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C1CC[NH2+]CC1 ZINC000579711573 322904890 /nfs/dbraw/zinc/90/48/90/322904890.db2.gz GDWLJIGWTCLHGB-CZUORRHYSA-N 1 3 334.468 0.926 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000343003047 546091867 /nfs/dbraw/zinc/09/18/67/546091867.db2.gz CHAAZGNRFNKAMW-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000343019532 546093428 /nfs/dbraw/zinc/09/34/28/546093428.db2.gz ZMWRZLREMKIVFD-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)N1CCC(C)CC1 ZINC000621841068 546572962 /nfs/dbraw/zinc/57/29/62/546572962.db2.gz PQXWGDUIANOSST-RVKKMQEKSA-N 1 3 336.480 0.563 20 0 ECADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1nc(N)nc(N)n1 ZINC000624024869 546868766 /nfs/dbraw/zinc/86/87/66/546868766.db2.gz ABBYJJYNNSRMMW-UHFFFAOYSA-N 1 3 348.499 0.329 20 0 ECADHO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000624397887 546916380 /nfs/dbraw/zinc/91/63/80/546916380.db2.gz OEUXGTCLAQMMLB-UHFFFAOYSA-N 1 3 329.466 0.605 20 0 ECADHO CCN1CCN(CCC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000624576933 546940085 /nfs/dbraw/zinc/94/00/85/546940085.db2.gz UQSMMFYTMYMWIB-UHFFFAOYSA-N 1 3 331.464 0.758 20 0 ECADHO CCC1(N2CCOCC2)CC[NH+](C[C@H](O)CN(C)CCOC)CC1 ZINC000626089235 547292154 /nfs/dbraw/zinc/29/21/54/547292154.db2.gz HNHCRLBPKAQBJB-QGZVFWFLSA-N 1 3 343.512 0.502 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000667294407 547496624 /nfs/dbraw/zinc/49/66/24/547496624.db2.gz SJWHHEONEXEAGD-UHFFFAOYSA-N 1 3 334.420 0.434 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2CC(=O)N2)cc1 ZINC000668641018 547710209 /nfs/dbraw/zinc/71/02/09/547710209.db2.gz VCEWYQHSORHYGW-CQSZACIVSA-N 1 3 330.388 0.339 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCN(CC)C1 ZINC000668824013 547758559 /nfs/dbraw/zinc/75/85/59/547758559.db2.gz DNXDWYYHKBRGBO-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCN(CC)C1 ZINC000668824013 547758563 /nfs/dbraw/zinc/75/85/63/547758563.db2.gz DNXDWYYHKBRGBO-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000669204180 547851553 /nfs/dbraw/zinc/85/15/53/547851553.db2.gz VLJLZWQZOIPEOB-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000669489644 547897817 /nfs/dbraw/zinc/89/78/17/547897817.db2.gz GVNWBZMUKLXGSP-INIZCTEOSA-N 1 3 325.501 0.831 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000669529771 547903153 /nfs/dbraw/zinc/90/31/53/547903153.db2.gz BODPHKHYGUDVHG-HUUCEWRRSA-N 1 3 339.484 0.357 20 0 ECADHO O=C(NCC1CCN(c2ccncc2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000669550923 547905282 /nfs/dbraw/zinc/90/52/82/547905282.db2.gz GEGUNJWHBZPPIR-KRWDZBQOSA-N 1 3 347.463 0.976 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccn1 ZINC000670546178 548030885 /nfs/dbraw/zinc/03/08/85/548030885.db2.gz DKHUASWOWXKAAV-CQSZACIVSA-N 1 3 335.452 0.211 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000670783699 548049743 /nfs/dbraw/zinc/04/97/43/548049743.db2.gz NWWWFYCXWPJLDM-XJKSGUPXSA-N 1 3 334.464 0.425 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000671182112 548106634 /nfs/dbraw/zinc/10/66/34/548106634.db2.gz JWYRQNFEBWYDIX-GVDBMIGSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000671182112 548106638 /nfs/dbraw/zinc/10/66/38/548106638.db2.gz JWYRQNFEBWYDIX-GVDBMIGSSA-N 1 3 348.491 0.816 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671181481 548106707 /nfs/dbraw/zinc/10/67/07/548106707.db2.gz KEXDVVOIQNOQIS-QBPKDAKJSA-N 1 3 348.491 0.815 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671181481 548106710 /nfs/dbraw/zinc/10/67/10/548106710.db2.gz KEXDVVOIQNOQIS-QBPKDAKJSA-N 1 3 348.491 0.815 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000671182113 548106989 /nfs/dbraw/zinc/10/69/89/548106989.db2.gz JWYRQNFEBWYDIX-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000671182113 548106992 /nfs/dbraw/zinc/10/69/92/548106992.db2.gz JWYRQNFEBWYDIX-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000671365741 548129162 /nfs/dbraw/zinc/12/91/62/548129162.db2.gz LVJBTWCEPRYOKH-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000672100413 548268783 /nfs/dbraw/zinc/26/87/83/548268783.db2.gz RRUVTOACNIDQHQ-UHFFFAOYSA-N 1 3 345.447 0.331 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672304266 548299899 /nfs/dbraw/zinc/29/98/99/548299899.db2.gz PEVLOGVUMBGVMI-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310004 548305384 /nfs/dbraw/zinc/30/53/84/548305384.db2.gz CFFZMATZMVPJNM-XNRPHZJLSA-N 1 3 334.464 0.186 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310004 548305388 /nfs/dbraw/zinc/30/53/88/548305388.db2.gz CFFZMATZMVPJNM-XNRPHZJLSA-N 1 3 334.464 0.186 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672310304 548308218 /nfs/dbraw/zinc/30/82/18/548308218.db2.gz OEASVLJPFGHEFL-IRXDYDNUSA-N 1 3 348.491 0.674 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000672693822 548371898 /nfs/dbraw/zinc/37/18/98/548371898.db2.gz ZWXPYEWOYXLXJM-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000672693822 548371902 /nfs/dbraw/zinc/37/19/02/548371902.db2.gz ZWXPYEWOYXLXJM-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000673149128 548452731 /nfs/dbraw/zinc/45/27/31/548452731.db2.gz VIXUSNBBGWHGQO-HNNXBMFYSA-N 1 3 342.484 0.060 20 0 ECADHO COCC[NH+]1CCC(NC(=O)NCCN2CCC(OC)CC2)CC1 ZINC000674328338 548615703 /nfs/dbraw/zinc/61/57/03/548615703.db2.gz WOVVYFAQFDLGPC-UHFFFAOYSA-N 1 3 342.484 0.507 20 0 ECADHO CC(CC(=O)N[C@@H]1CCCN(C)C1)CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000683479027 549492702 /nfs/dbraw/zinc/49/27/02/549492702.db2.gz BXXQFSBYHJSKLG-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CC(CC(=O)N[C@@H]1CCCN(C)C1)CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000683479027 549492704 /nfs/dbraw/zinc/49/27/04/549492704.db2.gz BXXQFSBYHJSKLG-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000685302083 549675605 /nfs/dbraw/zinc/67/56/05/549675605.db2.gz WVIYGDCDTQYZPG-ORQFMDKSSA-N 1 3 348.491 0.671 20 0 ECADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000685302083 549675608 /nfs/dbraw/zinc/67/56/08/549675608.db2.gz WVIYGDCDTQYZPG-ORQFMDKSSA-N 1 3 348.491 0.671 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H]([NH+]3CCCCC3)C1)C2=O ZINC000730804830 578309000 /nfs/dbraw/zinc/30/90/00/578309000.db2.gz LDCJPCJJGGOLDJ-OAHLLOKOSA-N 1 3 349.479 0.520 20 0 ECADHO C[NH+]1CCC(NC(=S)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000735984095 578401756 /nfs/dbraw/zinc/40/17/56/578401756.db2.gz HDSZWUBNXCDWPF-UHFFFAOYSA-N 1 3 340.537 0.999 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793695255 578935131 /nfs/dbraw/zinc/93/51/31/578935131.db2.gz CATASDCWANTLEV-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793695255 578935132 /nfs/dbraw/zinc/93/51/32/578935132.db2.gz CATASDCWANTLEV-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)N1CCCCC1 ZINC000793716663 578937266 /nfs/dbraw/zinc/93/72/66/578937266.db2.gz KQAISTXZTAQOLQ-HUUCEWRRSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)N1CCCCC1 ZINC000793716663 578937267 /nfs/dbraw/zinc/93/72/67/578937267.db2.gz KQAISTXZTAQOLQ-HUUCEWRRSA-N 1 3 336.480 0.744 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)CCN1CCN(C)CC1 ZINC000769759102 579151341 /nfs/dbraw/zinc/15/13/41/579151341.db2.gz DWAKMLBIWOBBRS-JKSUJKDBSA-N 1 3 341.569 0.961 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)CCN1CCN(C)CC1 ZINC000769759102 579151342 /nfs/dbraw/zinc/15/13/42/579151342.db2.gz DWAKMLBIWOBBRS-JKSUJKDBSA-N 1 3 341.569 0.961 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC000772818601 579215164 /nfs/dbraw/zinc/21/51/64/579215164.db2.gz PVPHMRTYVMKMLG-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC000772818601 579215165 /nfs/dbraw/zinc/21/51/65/579215165.db2.gz PVPHMRTYVMKMLG-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC000772818601 579215166 /nfs/dbraw/zinc/21/51/66/579215166.db2.gz PVPHMRTYVMKMLG-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC000772818601 579215167 /nfs/dbraw/zinc/21/51/67/579215167.db2.gz PVPHMRTYVMKMLG-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000774854676 579257661 /nfs/dbraw/zinc/25/76/61/579257661.db2.gz BZOVJQMOTRRMJV-HNNXBMFYSA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743394329 579797469 /nfs/dbraw/zinc/79/74/69/579797469.db2.gz JQWGDNQIYBIHAJ-CQSZACIVSA-N 1 3 337.468 0.376 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891538186 586174782 /nfs/dbraw/zinc/17/47/82/586174782.db2.gz SHMNZVXVPYYWGD-OLZOCXBDSA-N 1 3 334.411 0.641 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)CN1CCN(C)CC1 ZINC000891602284 586180893 /nfs/dbraw/zinc/18/08/93/586180893.db2.gz KMRIJKYSFYGQLY-KGLIPLIRSA-N 1 3 347.454 0.414 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)CN1CCN(C)CC1 ZINC000891603974 586181272 /nfs/dbraw/zinc/18/12/72/586181272.db2.gz UIRMREYQYXBEGI-NXOAAHMSSA-N 1 3 337.512 0.700 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000891766703 586195544 /nfs/dbraw/zinc/19/55/44/586195544.db2.gz XKBVTLCESVZNAK-KBRIMQKVSA-N 1 3 332.448 0.884 20 0 ECADHO CN(C)CCOCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891841835 586200590 /nfs/dbraw/zinc/20/05/90/586200590.db2.gz MZNVWSSUALJRMV-CQSZACIVSA-N 1 3 328.457 0.023 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892069241 586219331 /nfs/dbraw/zinc/21/93/31/586219331.db2.gz GTWPFSIZADVLCX-WCXIOVBPSA-N 1 3 336.480 0.854 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892069241 586219335 /nfs/dbraw/zinc/21/93/35/586219335.db2.gz GTWPFSIZADVLCX-WCXIOVBPSA-N 1 3 336.480 0.854 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000892166655 586226309 /nfs/dbraw/zinc/22/63/09/586226309.db2.gz KSMXAVFNCSYRAN-HOCLYGCPSA-N 1 3 333.436 0.680 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892593394 586275479 /nfs/dbraw/zinc/27/54/79/586275479.db2.gz JKHRRUUPUVFUQV-WCXIOVBPSA-N 1 3 337.512 0.842 20 0 ECADHO COC1CCN(CCNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896885237 586275600 /nfs/dbraw/zinc/27/56/00/586275600.db2.gz ZGBNHGUNYWUBIG-UHFFFAOYSA-N 1 3 325.453 0.324 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C2CN([C@@H]3CCOC3)C2)CC1 ZINC000896899048 586277025 /nfs/dbraw/zinc/27/70/25/586277025.db2.gz YSXIQBSQKLFLDF-NVXWUHKLSA-N 1 3 338.496 0.097 20 0 ECADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H](N2CC=CC2)C1 ZINC000892780699 586290197 /nfs/dbraw/zinc/29/01/97/586290197.db2.gz UDTVDIIIMLBNAI-JKSUJKDBSA-N 1 3 334.464 0.801 20 0 ECADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892780404 586290274 /nfs/dbraw/zinc/29/02/74/586290274.db2.gz RZKCFJSYZJPKPB-OAHLLOKOSA-N 1 3 342.484 0.365 20 0 ECADHO CC(C)([NH3+])CCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000892849645 586295843 /nfs/dbraw/zinc/29/58/43/586295843.db2.gz BGFLPKDSINQMOR-UHFFFAOYSA-N 1 3 327.473 0.405 20 0 ECADHO CCC1([NH3+])CCN(C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000892925937 586300730 /nfs/dbraw/zinc/30/07/30/586300730.db2.gz GQQKTDUAAFKTGS-UHFFFAOYSA-N 1 3 325.501 0.879 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893103517 586311062 /nfs/dbraw/zinc/31/10/62/586311062.db2.gz OZFGESALLOBTEC-ZACQAIPSSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893103517 586311064 /nfs/dbraw/zinc/31/10/64/586311064.db2.gz OZFGESALLOBTEC-ZACQAIPSSA-N 1 3 336.480 0.711 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000897447204 586324436 /nfs/dbraw/zinc/32/44/36/586324436.db2.gz NWKKOLFGTIACTR-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000897447204 586324438 /nfs/dbraw/zinc/32/44/38/586324438.db2.gz NWKKOLFGTIACTR-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000897517900 586337634 /nfs/dbraw/zinc/33/76/34/586337634.db2.gz FGOHRAQSYOOVCE-MRXNPFEDSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000897517900 586337635 /nfs/dbraw/zinc/33/76/35/586337635.db2.gz FGOHRAQSYOOVCE-MRXNPFEDSA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897551086 586342485 /nfs/dbraw/zinc/34/24/85/586342485.db2.gz GIFQYKNIZQUKET-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897551086 586342488 /nfs/dbraw/zinc/34/24/88/586342488.db2.gz GIFQYKNIZQUKET-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO COC(=O)[C@H]1[C@H](CN2CCC(C(=O)NCC[NH+](C)C)CC2)C1(F)F ZINC000893978597 586369056 /nfs/dbraw/zinc/36/90/56/586369056.db2.gz UGJRIPGIAUTKLT-QWHCGFSZSA-N 1 3 347.406 0.431 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000899206809 586476507 /nfs/dbraw/zinc/47/65/07/586476507.db2.gz UQVUQLCGDRJUSB-HNNXBMFYSA-N 1 3 336.480 0.661 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000899206809 586476508 /nfs/dbraw/zinc/47/65/08/586476508.db2.gz UQVUQLCGDRJUSB-HNNXBMFYSA-N 1 3 336.480 0.661 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900585961 586647824 /nfs/dbraw/zinc/64/78/24/586647824.db2.gz FFRBAACXIQETAP-RDJZCZTQSA-N 1 3 327.469 0.402 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900585961 586647826 /nfs/dbraw/zinc/64/78/26/586647826.db2.gz FFRBAACXIQETAP-RDJZCZTQSA-N 1 3 327.469 0.402 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000900682357 586655654 /nfs/dbraw/zinc/65/56/54/586655654.db2.gz QPYLRVNTOODPGR-KRWDZBQOSA-N 1 3 327.469 0.402 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900686565 586656624 /nfs/dbraw/zinc/65/66/24/586656624.db2.gz NDRHNZMNAWHRQP-HNNXBMFYSA-N 1 3 336.484 0.201 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C1CN([C@H]2CCOC2)C1 ZINC000900692195 586657105 /nfs/dbraw/zinc/65/71/05/586657105.db2.gz GMWCJKNYZCLSLO-KRWDZBQOSA-N 1 3 338.496 0.192 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1CN([C@H]2CCOC2)C1 ZINC000900692195 586657106 /nfs/dbraw/zinc/65/71/06/586657106.db2.gz GMWCJKNYZCLSLO-KRWDZBQOSA-N 1 3 338.496 0.192 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1CN([C@H]2CCOC2)C1 ZINC000900692195 586657107 /nfs/dbraw/zinc/65/71/07/586657107.db2.gz GMWCJKNYZCLSLO-KRWDZBQOSA-N 1 3 338.496 0.192 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000900980996 586680357 /nfs/dbraw/zinc/68/03/57/586680357.db2.gz PVFPOOXUKVUFEJ-JZXOWHBKSA-N 1 3 341.496 0.839 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000900980996 586680358 /nfs/dbraw/zinc/68/03/58/586680358.db2.gz PVFPOOXUKVUFEJ-JZXOWHBKSA-N 1 3 341.496 0.839 20 0 ECADHO CC(C)N1CCN(CCCC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000901186352 586699321 /nfs/dbraw/zinc/69/93/21/586699321.db2.gz LFNHDSPFULFVIR-QGZVFWFLSA-N 1 3 328.501 0.221 20 0 ECADHO CCOC(=O)C1([C@H](C)NCc2cnc3n2CCOC3)CC[NH2+]CC1 ZINC000902514894 586741161 /nfs/dbraw/zinc/74/11/61/586741161.db2.gz VJVWELPYGYNLIR-ZDUSSCGKSA-N 1 3 336.436 0.824 20 0 ECADHO C[N@H+](CCOCCN1C(=O)c2ccccc2C1=O)C1CCNCC1 ZINC000903420947 586776071 /nfs/dbraw/zinc/77/60/71/586776071.db2.gz HKZHKDULWZUFSN-UHFFFAOYSA-N 1 3 331.416 0.983 20 0 ECADHO C[N@@H+](CCOCCN1C(=O)c2ccccc2C1=O)C1CCNCC1 ZINC000903420947 586776073 /nfs/dbraw/zinc/77/60/73/586776073.db2.gz HKZHKDULWZUFSN-UHFFFAOYSA-N 1 3 331.416 0.983 20 0 ECADHO CCCCCNC(=O)[C@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492704 586779308 /nfs/dbraw/zinc/77/93/08/586779308.db2.gz QLNSYHOYZCKZLD-ZJOBFFGXSA-N 1 3 325.453 0.894 20 0 ECADHO CCCNC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510733 586780811 /nfs/dbraw/zinc/78/08/11/586780811.db2.gz JULZZZUTBYEXAV-GASCZTMLSA-N 1 3 337.468 0.123 20 0 ECADHO CCCNC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510733 586780815 /nfs/dbraw/zinc/78/08/15/586780815.db2.gz JULZZZUTBYEXAV-GASCZTMLSA-N 1 3 337.468 0.123 20 0 ECADHO CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903724448 586802188 /nfs/dbraw/zinc/80/21/88/586802188.db2.gz NQIGVBIQMFWTFQ-GJZGRUSLSA-N 1 3 345.509 0.406 20 0 ECADHO CS(=O)(=O)NCC[C@@H]1CCCCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725453 586802442 /nfs/dbraw/zinc/80/24/42/586802442.db2.gz ZVVBAKUYQGPWJH-ARFHVFGLSA-N 1 3 345.509 0.549 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@H]1N ZINC000903758661 586812210 /nfs/dbraw/zinc/81/22/10/586812210.db2.gz ISRAXPXWKOFANV-FVQBIDKESA-N 1 3 348.491 0.657 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@H]1N ZINC000903758661 586812211 /nfs/dbraw/zinc/81/22/11/586812211.db2.gz ISRAXPXWKOFANV-FVQBIDKESA-N 1 3 348.491 0.657 20 0 ECADHO CNS(=O)(=O)CCCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793396 586813119 /nfs/dbraw/zinc/81/31/19/586813119.db2.gz BXPFHGRZYUICER-UHFFFAOYSA-N 1 3 325.478 0.918 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CCC[C@H](N3CCCC3)C1)C2 ZINC000904996691 586856579 /nfs/dbraw/zinc/85/65/79/586856579.db2.gz XVRRUSBBAOBWOU-FZKCQIBNSA-N 1 3 334.464 0.411 20 0 ECADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000905344609 586884161 /nfs/dbraw/zinc/88/41/61/586884161.db2.gz KKZAYWKUCBZPGV-LZLYRXPVSA-N 1 3 342.480 0.907 20 0 ECADHO C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000905363535 586890053 /nfs/dbraw/zinc/89/00/53/586890053.db2.gz YEMOXGFKILPVPZ-AWEZNQCLSA-N 1 3 338.477 0.922 20 0 ECADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000906091970 586932116 /nfs/dbraw/zinc/93/21/16/586932116.db2.gz RGFHDDITLYZJCG-QLFBSQMISA-N 1 3 337.468 0.107 20 0 ECADHO COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000906580459 586957026 /nfs/dbraw/zinc/95/70/26/586957026.db2.gz OFKHDCPVHGBSDS-LSDHHAIUSA-N 1 3 327.469 0.918 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCC2([NH3+])CC2)cc1F ZINC000906693214 586971458 /nfs/dbraw/zinc/97/14/58/586971458.db2.gz KMYUOYOXHAUOHR-UHFFFAOYSA-N 1 3 338.383 0.312 20 0 ECADHO CS[C@@H]1CN(C(=O)C[C@@]2(O)CCCN(C)C2)C[C@H]1[NH+]1CCCC1 ZINC000907353023 587036665 /nfs/dbraw/zinc/03/66/65/587036665.db2.gz GSLZSLFROVCDOM-INMHGKMJSA-N 1 3 341.521 0.871 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c(Br)nnn1C ZINC000810438949 587196277 /nfs/dbraw/zinc/19/62/77/587196277.db2.gz DBSRCLXJHSEPOW-UHFFFAOYSA-N 1 3 347.261 0.143 20 0 ECADHO O=C(CCOC1CNC1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000818538352 587437758 /nfs/dbraw/zinc/43/77/58/587437758.db2.gz BXBFQMCQOWJKLS-OAHLLOKOSA-N 1 3 347.415 0.912 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCCCC[NH3+])CC1=O ZINC000844200331 589102748 /nfs/dbraw/zinc/10/27/48/589102748.db2.gz QDDMNXSHBZXSJT-JKSUJKDBSA-N 1 3 338.496 0.955 20 0 ECADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000826823304 588085350 /nfs/dbraw/zinc/08/53/50/588085350.db2.gz ZVRBJBQHKCJCEU-CABCVRRESA-N 1 3 341.500 0.868 20 0 ECADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000826823304 588085351 /nfs/dbraw/zinc/08/53/51/588085351.db2.gz ZVRBJBQHKCJCEU-CABCVRRESA-N 1 3 341.500 0.868 20 0 ECADHO CN(C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CCC([NH3+])CC1 ZINC000848616380 589304090 /nfs/dbraw/zinc/30/40/90/589304090.db2.gz KVCIDMLGYBANJZ-CKUJCDMFSA-N 1 3 336.480 0.848 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000850853137 589387803 /nfs/dbraw/zinc/38/78/03/589387803.db2.gz QYJNVMNKQACXKC-CQSZACIVSA-N 1 3 334.420 0.563 20 0 ECADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1[nH]nc2c1CNCC2 ZINC000852844107 589517455 /nfs/dbraw/zinc/51/74/55/589517455.db2.gz QIHCTDIDEYCYDM-UHFFFAOYSA-N 1 3 347.463 0.676 20 0 ECADHO C[NH+](C)CCOc1ccc(CCNC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000852865353 589519654 /nfs/dbraw/zinc/51/96/54/589519654.db2.gz AATJRCRGESLKIQ-OAHLLOKOSA-N 1 3 334.420 0.389 20 0 ECADHO NC[C@H]1CC(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)=NO1 ZINC000852882005 589521469 /nfs/dbraw/zinc/52/14/69/589521469.db2.gz VEWOACXFQYQOTE-NWANDNLSSA-N 1 3 334.395 0.739 20 0 ECADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000857841492 589712929 /nfs/dbraw/zinc/71/29/29/589712929.db2.gz CFWJZZFLSYTTDO-PVAVHDDUSA-N 1 3 348.491 0.944 20 0 ECADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000857841492 589712931 /nfs/dbraw/zinc/71/29/31/589712931.db2.gz CFWJZZFLSYTTDO-PVAVHDDUSA-N 1 3 348.491 0.944 20 0 ECADHO O=C(CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NC1CCCC1 ZINC000866710922 589761472 /nfs/dbraw/zinc/76/14/72/589761472.db2.gz XSDYXOZEWQPPIU-ZNMIVQPWSA-N 1 3 336.436 0.302 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000861568233 589865042 /nfs/dbraw/zinc/86/50/42/589865042.db2.gz RADDTAQXZABSKG-OAHLLOKOSA-N 1 3 334.468 0.582 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000861743112 589885178 /nfs/dbraw/zinc/88/51/78/589885178.db2.gz PHXCKENOMPYQME-ZDUSSCGKSA-N 1 3 336.436 0.049 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])Cc1ccccc1 ZINC000861755820 589887773 /nfs/dbraw/zinc/88/77/73/589887773.db2.gz QCKFXELHIJINKZ-RDJZCZTQSA-N 1 3 348.491 0.861 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CCC[C@H](N2CCCC2)C1 ZINC000868416999 589903972 /nfs/dbraw/zinc/90/39/72/589903972.db2.gz BMTUVFNKWDGADQ-HRCADAONSA-N 1 3 334.464 0.426 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)CC[C@@H]21 ZINC000868782626 589927031 /nfs/dbraw/zinc/92/70/31/589927031.db2.gz BABNOUFOPFOOID-PVAVHDDUSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)CC[C@@H]21 ZINC000868782626 589927032 /nfs/dbraw/zinc/92/70/32/589927032.db2.gz BABNOUFOPFOOID-PVAVHDDUSA-N 1 3 336.480 0.975 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000863752358 590033927 /nfs/dbraw/zinc/03/39/27/590033927.db2.gz RROLDXLLZOILBO-ZDUSSCGKSA-N 1 3 338.427 0.522 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000863769330 590037048 /nfs/dbraw/zinc/03/70/48/590037048.db2.gz AEAIETYZBUZCEV-RDJZCZTQSA-N 1 3 346.475 0.567 20 0 ECADHO N[C@H](CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000871000715 590044730 /nfs/dbraw/zinc/04/47/30/590044730.db2.gz WWDBHTIWHGAYLN-FPCVCCKLSA-N 1 3 344.415 0.470 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC000871461803 590071403 /nfs/dbraw/zinc/07/14/03/590071403.db2.gz LPSGHBKBAHDZBB-HNNXBMFYSA-N 1 3 342.484 0.010 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC000871461803 590071405 /nfs/dbraw/zinc/07/14/05/590071405.db2.gz LPSGHBKBAHDZBB-HNNXBMFYSA-N 1 3 342.484 0.010 20 0 ECADHO CC(C)N(C)CC(=O)N1CCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000871461803 590071407 /nfs/dbraw/zinc/07/14/07/590071407.db2.gz LPSGHBKBAHDZBB-HNNXBMFYSA-N 1 3 342.484 0.010 20 0 ECADHO CC(C)N(C)CC(=O)N1CCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000871461803 590071410 /nfs/dbraw/zinc/07/14/10/590071410.db2.gz LPSGHBKBAHDZBB-HNNXBMFYSA-N 1 3 342.484 0.010 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000865858211 590160623 /nfs/dbraw/zinc/16/06/23/590160623.db2.gz FUNHENMGPIRVHH-KGLIPLIRSA-N 1 3 342.484 0.851 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1(C)C ZINC000875081918 590268684 /nfs/dbraw/zinc/26/86/84/590268684.db2.gz CGKGAQSMINHKER-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1(C)C ZINC000875081918 590268686 /nfs/dbraw/zinc/26/86/86/590268686.db2.gz CGKGAQSMINHKER-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875663339 590319207 /nfs/dbraw/zinc/31/92/07/590319207.db2.gz TYEJUMINAGNLTF-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875663339 590319211 /nfs/dbraw/zinc/31/92/11/590319211.db2.gz TYEJUMINAGNLTF-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880258288 590379531 /nfs/dbraw/zinc/37/95/31/590379531.db2.gz FBIVKRFGHDHRLJ-KXBFYZLASA-N 1 3 340.427 0.965 20 0 ECADHO Cn1ncc2cc(CN3CCC(C(=O)NCC[NH+](C)C)CC3)cnc21 ZINC000876644620 590394481 /nfs/dbraw/zinc/39/44/81/590394481.db2.gz BMNKTHVNVAKXQX-UHFFFAOYSA-N 1 3 344.463 0.858 20 0 ECADHO Cn1ncc(CN)c1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000876764186 590411848 /nfs/dbraw/zinc/41/18/48/590411848.db2.gz KTJCPWDRAHTNKL-UHFFFAOYSA-N 1 3 335.452 0.644 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@H](N)C[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000876780101 590413763 /nfs/dbraw/zinc/41/37/63/590413763.db2.gz CXJOQEKOTQPHQR-ROUUACIJSA-N 1 3 347.507 0.370 20 0 ECADHO C[S@@](=O)C1(C(=O)NC[C@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000876846748 590418691 /nfs/dbraw/zinc/41/86/91/590418691.db2.gz SMCZLYBAHHMCTC-IQMFZBJNSA-N 1 3 335.473 0.490 20 0 ECADHO CCO[C@@H](CC[NH+](C)C)CNCc1cccc(S(N)(=O)=O)c1 ZINC000877159338 590441754 /nfs/dbraw/zinc/44/17/54/590441754.db2.gz WCSOHBDWXUYOAE-AWEZNQCLSA-N 1 3 329.466 0.780 20 0 ECADHO NC(=O)[C@](O)(C[N@@H+]1CCCN(c2ccncc2)CC1)c1ccccc1 ZINC000878748704 590539678 /nfs/dbraw/zinc/53/96/78/590539678.db2.gz XYDVZOSNASKDOT-IBGZPJMESA-N 1 3 340.427 0.967 20 0 ECADHO NC(=O)[C@](O)(C[N@H+]1CCCN(c2ccncc2)CC1)c1ccccc1 ZINC000878748704 590539680 /nfs/dbraw/zinc/53/96/80/590539680.db2.gz XYDVZOSNASKDOT-IBGZPJMESA-N 1 3 340.427 0.967 20 0 ECADHO CCN1CC[C@@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000883249150 590610114 /nfs/dbraw/zinc/61/01/14/590610114.db2.gz VDDBIMCAVCLFOV-QGZVFWFLSA-N 1 3 337.512 0.938 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000884853141 590633875 /nfs/dbraw/zinc/63/38/75/590633875.db2.gz GQDHMVBHCLRGLJ-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000884925807 590650374 /nfs/dbraw/zinc/65/03/74/590650374.db2.gz IDYYMWGTUSWJFM-JYJNAYRXSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@@H]1CN ZINC000884986720 590663928 /nfs/dbraw/zinc/66/39/28/590663928.db2.gz UUSWEYOBUXADLT-XYSPPFBYSA-N 1 3 338.496 0.951 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885153095 590689024 /nfs/dbraw/zinc/68/90/24/590689024.db2.gz GDAUYSLNPIIDTK-IAGOWNOFSA-N 1 3 344.459 0.370 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[NH2+]CC2(C)C)c1 ZINC000884204656 590773908 /nfs/dbraw/zinc/77/39/08/590773908.db2.gz AQKHRBSDDABTLN-MRXNPFEDSA-N 1 3 346.475 0.840 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccnc(N4CCNCC4)c3)C[C@H]21 ZINC000884247706 590787950 /nfs/dbraw/zinc/78/79/50/590787950.db2.gz CNLRNGRVMOUUHE-BZUAXINKSA-N 1 3 329.448 0.691 20 0 ECADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccnc(N4CCNCC4)c3)C[C@@H]21 ZINC000884247707 590788090 /nfs/dbraw/zinc/78/80/90/590788090.db2.gz CNLRNGRVMOUUHE-HRCADAONSA-N 1 3 329.448 0.691 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884503136 590845278 /nfs/dbraw/zinc/84/52/78/590845278.db2.gz BXHZWPRDTPRYQL-XHSDSOJGSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884577747 590862813 /nfs/dbraw/zinc/86/28/13/590862813.db2.gz LMWKBPDYWIGWLL-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000884724785 590911555 /nfs/dbraw/zinc/91/15/55/590911555.db2.gz FTBMRVLSBIWCLP-RBSFLKMASA-N 1 3 345.447 0.362 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884787550 590923363 /nfs/dbraw/zinc/92/33/63/590923363.db2.gz VLUVLOCUTKKSFM-YJBOKZPZSA-N 1 3 336.480 0.579 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC000887091711 590943187 /nfs/dbraw/zinc/94/31/87/590943187.db2.gz UIZSSPUEFIBYEK-LSDHHAIUSA-N 1 3 345.447 0.187 20 0 ECADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)N1CCN(C)CC1 ZINC000887134177 590947802 /nfs/dbraw/zinc/94/78/02/590947802.db2.gz DQNXAMKPEHPZGT-INIZCTEOSA-N 1 3 331.464 0.756 20 0 ECADHO C[NH+](C)CCn1nccc1C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889750595 591079871 /nfs/dbraw/zinc/07/98/71/591079871.db2.gz PUVYIBULJDYGTB-GJZGRUSLSA-N 1 3 335.452 0.116 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946615181 611365317 /nfs/dbraw/zinc/36/53/17/611365317.db2.gz JDEHNSCGESPLBJ-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946615181 611365318 /nfs/dbraw/zinc/36/53/18/611365318.db2.gz JDEHNSCGESPLBJ-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]3CC2)CCC1 ZINC000946621066 611369629 /nfs/dbraw/zinc/36/96/29/611369629.db2.gz IOXWKYQGKQWTCT-OWCLPIDISA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]3CC2)CCC1 ZINC000946621066 611369633 /nfs/dbraw/zinc/36/96/33/611369633.db2.gz IOXWKYQGKQWTCT-OWCLPIDISA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(CC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000924717633 611424734 /nfs/dbraw/zinc/42/47/34/611424734.db2.gz WDBKFWMWNJFXPW-OAHLLOKOSA-N 1 3 331.420 0.780 20 0 ECADHO c1cnc(N2CCN(CCCN[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)nc1 ZINC000925537213 611486697 /nfs/dbraw/zinc/48/66/97/611486697.db2.gz VBIBFTDOUNIBEP-IGKNDFSCSA-N 1 3 342.491 0.575 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)C[C@]2(C)C1 ZINC000930958330 611489354 /nfs/dbraw/zinc/48/93/54/611489354.db2.gz VBXGCJZLPYWNRR-OLMMMNRUSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)C[C@]2(C)C1 ZINC000930958330 611489357 /nfs/dbraw/zinc/48/93/57/611489357.db2.gz VBXGCJZLPYWNRR-OLMMMNRUSA-N 1 3 348.491 0.530 20 0 ECADHO O=C(CN1CCCC1)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000946804958 611493520 /nfs/dbraw/zinc/49/35/20/611493520.db2.gz UGEGCTYQZKGZIY-UHFFFAOYSA-N 1 3 334.464 0.285 20 0 ECADHO O=C1COC[C@]2(CN[C@H]3CC[NH2+]C[C@H]3C3CCCC3)COCCN12 ZINC000925727682 611495862 /nfs/dbraw/zinc/49/58/62/611495862.db2.gz QELPGBYIXZCVBM-BQFCYCMXSA-N 1 3 337.464 0.372 20 0 ECADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCN2CCC([NH3+])CC2)c1 ZINC000925812223 611502795 /nfs/dbraw/zinc/50/27/95/611502795.db2.gz VWFFWXANMIRIRA-CYBMUJFWSA-N 1 3 340.493 0.668 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)COC1CC[NH+](C)CC1 ZINC000932475405 611632567 /nfs/dbraw/zinc/63/25/67/611632567.db2.gz TUISNGOLTBNVAK-UHFFFAOYSA-N 1 3 326.485 0.193 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000927813066 611637938 /nfs/dbraw/zinc/63/79/38/611637938.db2.gz PBKOGWOWUGYYGZ-BXUZGUMPSA-N 1 3 334.420 0.419 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000936908962 608644215 /nfs/dbraw/zinc/64/42/15/608644215.db2.gz DKFMGFJXEJSABL-LSDHHAIUSA-N 1 3 334.464 0.236 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC000938307172 609662329 /nfs/dbraw/zinc/66/23/29/609662329.db2.gz QJQUFOQYDXERDB-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](C)CN1CCN(C)CC1 ZINC000920993311 609695713 /nfs/dbraw/zinc/69/57/13/609695713.db2.gz IFQAYGPCSUOOEK-HZPDHXFCSA-N 1 3 341.569 0.818 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](C)CN1CCN(C)CC1 ZINC000920993311 609695714 /nfs/dbraw/zinc/69/57/14/609695714.db2.gz IFQAYGPCSUOOEK-HZPDHXFCSA-N 1 3 341.569 0.818 20 0 ECADHO CCN(C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[C@H]1CCN(CC)C1 ZINC000910735871 609753776 /nfs/dbraw/zinc/75/37/76/609753776.db2.gz GUFWFIPPOUTRJW-RLFYNMQTSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[C@H]1CCN(CC)C1 ZINC000910735871 609753778 /nfs/dbraw/zinc/75/37/78/609753778.db2.gz GUFWFIPPOUTRJW-RLFYNMQTSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000910735519 609753989 /nfs/dbraw/zinc/75/39/89/609753989.db2.gz CGLYKCRMGUVXED-OAHLLOKOSA-N 1 3 340.512 0.975 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCN3C3CCCC3)C[C@]2(C)C1 ZINC000910905141 609778871 /nfs/dbraw/zinc/77/88/71/609778871.db2.gz BUAFDOJCWOSLPM-OGWOLHLISA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCN3C3CCCC3)C[C@]2(C)C1 ZINC000910905141 609778872 /nfs/dbraw/zinc/77/88/72/609778872.db2.gz BUAFDOJCWOSLPM-OGWOLHLISA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911055368 609796100 /nfs/dbraw/zinc/79/61/00/609796100.db2.gz NVGNDYKICJFOEJ-OWCLPIDISA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)N1CCC(C)CC1 ZINC000911089848 609807732 /nfs/dbraw/zinc/80/77/32/609807732.db2.gz FNTMQWRDVAXETP-OWCLPIDISA-N 1 3 338.496 0.666 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911209048 609825567 /nfs/dbraw/zinc/82/55/67/609825567.db2.gz LORYZIBAFCCEIE-CRAIPNDOSA-N 1 3 336.480 0.722 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C1CCCC1 ZINC000911235460 609833928 /nfs/dbraw/zinc/83/39/28/609833928.db2.gz FFQNFIBGWSBRJX-IAGOWNOFSA-N 1 3 344.459 0.718 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C1CCCC1 ZINC000911235460 609833929 /nfs/dbraw/zinc/83/39/29/609833929.db2.gz FFQNFIBGWSBRJX-IAGOWNOFSA-N 1 3 344.459 0.718 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911256808 609837219 /nfs/dbraw/zinc/83/72/19/609837219.db2.gz BNTIQNWMTRNSJA-QWQRMKEZSA-N 1 3 336.480 0.563 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911257722 609837669 /nfs/dbraw/zinc/83/76/69/609837669.db2.gz KTQSIOOCRJZUSC-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000911284306 609846599 /nfs/dbraw/zinc/84/65/99/609846599.db2.gz NOIRGYSULGCIER-OAHLLOKOSA-N 1 3 334.464 0.849 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C[C@H]1CC[NH3+] ZINC000911324478 609847958 /nfs/dbraw/zinc/84/79/58/609847958.db2.gz DFXKZLKQTMASPF-WCVJEAGWSA-N 1 3 336.480 0.563 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)C1 ZINC000911336806 609847975 /nfs/dbraw/zinc/84/79/75/609847975.db2.gz NTTSZRGRABGNKX-OAHLLOKOSA-N 1 3 338.496 0.810 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000911324656 609848036 /nfs/dbraw/zinc/84/80/36/609848036.db2.gz IUOPVKHAFLUOON-LDDOYCOJSA-N 1 3 334.464 0.459 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000911325323 609848542 /nfs/dbraw/zinc/84/85/42/609848542.db2.gz QUMLLLSGTUMBRE-WCVJEAGWSA-N 1 3 336.480 0.481 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911334151 609850347 /nfs/dbraw/zinc/85/03/47/609850347.db2.gz XOSVUHATBPWEEY-HZPDHXFCSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517613 609889884 /nfs/dbraw/zinc/88/98/84/609889884.db2.gz WTMRJSYOPQEELT-BASLNEPJSA-N 1 3 344.459 0.526 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517613 609889886 /nfs/dbraw/zinc/88/98/86/609889886.db2.gz WTMRJSYOPQEELT-BASLNEPJSA-N 1 3 344.459 0.526 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000938608984 609898343 /nfs/dbraw/zinc/89/83/43/609898343.db2.gz HCDPTSJSKPXMKT-HRCADAONSA-N 1 3 347.463 0.742 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000938608984 609898344 /nfs/dbraw/zinc/89/83/44/609898344.db2.gz HCDPTSJSKPXMKT-HRCADAONSA-N 1 3 347.463 0.742 20 0 ECADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)CCN(C)CCO)CC1 ZINC000912606079 609976836 /nfs/dbraw/zinc/97/68/36/609976836.db2.gz JPGKEEXGORKEII-UHFFFAOYSA-N 1 3 334.464 0.989 20 0 ECADHO CN1CCN(C)[C@H](CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000917951782 609989312 /nfs/dbraw/zinc/98/93/12/609989312.db2.gz DREABFQSFMSQFW-QLFBSQMISA-N 1 3 341.525 0.111 20 0 ECADHO CN1CCN(C)[C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000917951782 609989313 /nfs/dbraw/zinc/98/93/13/609989313.db2.gz DREABFQSFMSQFW-QLFBSQMISA-N 1 3 341.525 0.111 20 0 ECADHO C[NH+]1CCC(NC(=O)CN[C@](C)(CO)Cc2ccccc2F)CC1 ZINC000933427217 611726025 /nfs/dbraw/zinc/72/60/25/611726025.db2.gz DLQHEWZMAQAFFP-SFHVURJKSA-N 1 3 337.439 0.919 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000938825371 610027054 /nfs/dbraw/zinc/02/70/54/610027054.db2.gz UHBDIWIDLLOESY-CABCVRRESA-N 1 3 334.464 0.141 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000940616861 610319803 /nfs/dbraw/zinc/31/98/03/610319803.db2.gz LBJKLWNRZPOIQP-OWCLPIDISA-N 1 3 334.464 0.140 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)N(C)C ZINC000941488906 610339278 /nfs/dbraw/zinc/33/92/78/610339278.db2.gz LAEOEYKCFYLNQT-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)N(C)C ZINC000941488906 610339280 /nfs/dbraw/zinc/33/92/80/610339280.db2.gz LAEOEYKCFYLNQT-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000941676467 610448882 /nfs/dbraw/zinc/44/88/82/610448882.db2.gz CPZJXLZRJGWRPP-ZMSDIMECSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000941676467 610448885 /nfs/dbraw/zinc/44/88/85/610448885.db2.gz CPZJXLZRJGWRPP-ZMSDIMECSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000942430485 610455078 /nfs/dbraw/zinc/45/50/78/610455078.db2.gz VAHQQVCSEUKONH-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1cnccc1N(C)C ZINC000944171492 610764343 /nfs/dbraw/zinc/76/43/43/610764343.db2.gz XSOFWIMTQMSCKB-HIFRSBDPSA-N 1 3 347.463 0.676 20 0 ECADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1cnccc1N(C)C ZINC000944171492 610764344 /nfs/dbraw/zinc/76/43/44/610764344.db2.gz XSOFWIMTQMSCKB-HIFRSBDPSA-N 1 3 347.463 0.676 20 0 ECADHO C[C@@H]1CN(CCn2cncn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171146 610764469 /nfs/dbraw/zinc/76/44/69/610764469.db2.gz WVEAQIJALACQTE-HUUCEWRRSA-N 1 3 332.452 0.201 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)CC2)C1 ZINC000944940620 610843306 /nfs/dbraw/zinc/84/33/06/610843306.db2.gz LHRFLHFXAGHAIV-AWEZNQCLSA-N 1 3 345.447 0.355 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)CC2)C1 ZINC000944940620 610843308 /nfs/dbraw/zinc/84/33/08/610843308.db2.gz LHRFLHFXAGHAIV-AWEZNQCLSA-N 1 3 345.447 0.355 20 0 ECADHO C[C@H](CNC(=O)CN(C)C[C@@H]1CCOC1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000929792668 611793759 /nfs/dbraw/zinc/79/37/59/611793759.db2.gz PMNZLVAZCVKFPK-PMPSAXMXSA-N 1 3 327.469 0.428 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000923526904 611255746 /nfs/dbraw/zinc/25/57/46/611255746.db2.gz VJWOEAHNTSITIZ-BBWFWOEESA-N 1 3 333.432 0.738 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884880551 611348923 /nfs/dbraw/zinc/34/89/23/611348923.db2.gz VUAUYWSUWYRZLM-CQSZACIVSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000929169234 611735159 /nfs/dbraw/zinc/73/51/59/611735159.db2.gz UXIHPHRWMFCHIS-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000929399468 611751291 /nfs/dbraw/zinc/75/12/91/611751291.db2.gz MWZVVKUHYIZGMD-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H](CNC(=O)CN(C)C[C@@H]1CCOC1)[N@H+](C)C[C@@H]1CCOC1 ZINC000929792668 611793757 /nfs/dbraw/zinc/79/37/57/611793757.db2.gz PMNZLVAZCVKFPK-PMPSAXMXSA-N 1 3 327.469 0.428 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000949245230 611918416 /nfs/dbraw/zinc/91/84/16/611918416.db2.gz LJMRAUKMIRXARE-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000949245230 611918419 /nfs/dbraw/zinc/91/84/19/611918419.db2.gz LJMRAUKMIRXARE-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000950824195 611926551 /nfs/dbraw/zinc/92/65/51/611926551.db2.gz LCWITTKTNSNWTR-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000951238860 612096912 /nfs/dbraw/zinc/09/69/12/612096912.db2.gz PVCAZSVJJMWNMI-HNNXBMFYSA-N 1 3 348.491 0.531 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954503152 612339476 /nfs/dbraw/zinc/33/94/76/612339476.db2.gz HKNGGNOVDGZCMT-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954503152 612339480 /nfs/dbraw/zinc/33/94/80/612339480.db2.gz HKNGGNOVDGZCMT-JKSUJKDBSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@@H+]1C ZINC000953978074 612518336 /nfs/dbraw/zinc/51/83/36/612518336.db2.gz BKMVDJDYFUPFPK-CZUORRHYSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@H+]1C ZINC000953978074 612518339 /nfs/dbraw/zinc/51/83/39/612518339.db2.gz BKMVDJDYFUPFPK-CZUORRHYSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000954707898 612576820 /nfs/dbraw/zinc/57/68/20/612576820.db2.gz JVFMXBSDDFDRBV-BBRMVZONSA-N 1 3 347.463 0.599 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000954707898 612576827 /nfs/dbraw/zinc/57/68/27/612576827.db2.gz JVFMXBSDDFDRBV-BBRMVZONSA-N 1 3 347.463 0.599 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000955442743 612589284 /nfs/dbraw/zinc/58/92/84/612589284.db2.gz KDGOOQQEMYSPIN-CQSZACIVSA-N 1 3 333.436 0.496 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000955442743 612589286 /nfs/dbraw/zinc/58/92/86/612589286.db2.gz KDGOOQQEMYSPIN-CQSZACIVSA-N 1 3 333.436 0.496 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC000954847417 612741851 /nfs/dbraw/zinc/74/18/51/612741851.db2.gz VVCWSEBLCPOHTA-HNNXBMFYSA-N 1 3 334.464 0.092 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000954276736 612818182 /nfs/dbraw/zinc/81/81/82/612818182.db2.gz UQJQTXULHPRDOA-HOTGVXAUSA-N 1 3 338.496 0.869 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000954276736 612818183 /nfs/dbraw/zinc/81/81/83/612818183.db2.gz UQJQTXULHPRDOA-HOTGVXAUSA-N 1 3 338.496 0.869 20 0 ECADHO O=C1CN(c2ncccc2CN2CCCC2)CC2(CC[NH2+]CC2)N1 ZINC001164391718 718809984 /nfs/dbraw/zinc/80/99/84/718809984.db2.gz HPLFSXRBXQJZDI-UHFFFAOYSA-N 1 3 329.448 0.736 20 0 ECADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+][C@H]2CCN(C)C2=O)CCC1 ZINC001024982314 738457584 /nfs/dbraw/zinc/45/75/84/738457584.db2.gz LNSYNDNHKXEJHB-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO Cn1cc(CC[NH2+][C@@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)cn1 ZINC000969135430 731517630 /nfs/dbraw/zinc/51/76/30/731517630.db2.gz JCFDHYVZZQJBAC-JKSUJKDBSA-N 1 3 342.447 0.612 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1=O ZINC000969949823 732551834 /nfs/dbraw/zinc/55/18/34/732551834.db2.gz YWWPNNUGUDQKAU-ZIAGYGMSSA-N 1 3 349.431 0.823 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)cc1=O ZINC000969949823 732551837 /nfs/dbraw/zinc/55/18/37/732551837.db2.gz YWWPNNUGUDQKAU-ZIAGYGMSSA-N 1 3 349.431 0.823 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000970145763 732968766 /nfs/dbraw/zinc/96/87/66/732968766.db2.gz FTYFTLRGDILGMJ-YUELXQCFSA-N 1 3 331.420 0.106 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000970145763 732968768 /nfs/dbraw/zinc/96/87/68/732968768.db2.gz FTYFTLRGDILGMJ-YUELXQCFSA-N 1 3 331.420 0.106 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC001167232685 733077178 /nfs/dbraw/zinc/07/71/78/733077178.db2.gz MGQRRHRTIDBDAK-HUUCEWRRSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)N(C)CC)CC1)N(C)C ZINC001167258198 733100239 /nfs/dbraw/zinc/10/02/39/733100239.db2.gz RWDSLKAHHGYFJP-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H](NCc3cccnc3)C2)CC1 ZINC000970356763 733407075 /nfs/dbraw/zinc/40/70/75/733407075.db2.gz HQOIVDFCIJUWDW-MRXNPFEDSA-N 1 3 332.448 0.883 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC000970477792 733592260 /nfs/dbraw/zinc/59/22/60/733592260.db2.gz DMPPXWCVEUKRNQ-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC000970477792 733592261 /nfs/dbraw/zinc/59/22/61/733592261.db2.gz DMPPXWCVEUKRNQ-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cc1=O ZINC000970492945 733611487 /nfs/dbraw/zinc/61/14/87/733611487.db2.gz YRKQTUAVGJCUOO-CYBMUJFWSA-N 1 3 347.415 0.435 20 0 ECADHO C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970720356 733870424 /nfs/dbraw/zinc/87/04/24/733870424.db2.gz RCCBUIKPZJCPNZ-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1ncc(CN[C@@H]2CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)o1 ZINC000970728110 733883524 /nfs/dbraw/zinc/88/35/24/733883524.db2.gz VAWFRNYPDLMRID-DZGCQCFKSA-N 1 3 336.436 0.642 20 0 ECADHO Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)o1 ZINC000970728110 733883528 /nfs/dbraw/zinc/88/35/28/733883528.db2.gz VAWFRNYPDLMRID-DZGCQCFKSA-N 1 3 336.436 0.642 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000970795183 733946644 /nfs/dbraw/zinc/94/66/44/733946644.db2.gz AKVCSFBTCCMVEY-SJORKVTESA-N 1 3 346.475 0.950 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)CCC[NH+](C)C ZINC001067477464 734275754 /nfs/dbraw/zinc/27/57/54/734275754.db2.gz CVKUUGAIOYDEHA-UHFFFAOYSA-N 1 3 328.501 0.977 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCC(NCC(=O)Nc2cnccn2)CC1 ZINC001203203326 734423609 /nfs/dbraw/zinc/42/36/09/734423609.db2.gz KUFXXFFCRTXOIS-UHFFFAOYSA-N 1 3 348.451 0.338 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCC(NCC(=O)Nc2cnccn2)CC1 ZINC001203203326 734423611 /nfs/dbraw/zinc/42/36/11/734423611.db2.gz KUFXXFFCRTXOIS-UHFFFAOYSA-N 1 3 348.451 0.338 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001104347307 734485053 /nfs/dbraw/zinc/48/50/53/734485053.db2.gz VQATVVVULRXOBJ-BZUAXINKSA-N 1 3 340.512 0.925 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001104348879 734517410 /nfs/dbraw/zinc/51/74/10/734517410.db2.gz ZFWSOYHCDHXFAO-RBSFLKMASA-N 1 3 326.485 0.489 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000971526531 734713623 /nfs/dbraw/zinc/71/36/23/734713623.db2.gz XOIGSCXQLUTSDH-CVEARBPZSA-N 1 3 334.468 0.684 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000971526531 734713625 /nfs/dbraw/zinc/71/36/25/734713625.db2.gz XOIGSCXQLUTSDH-CVEARBPZSA-N 1 3 334.468 0.684 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC000972189588 735768203 /nfs/dbraw/zinc/76/82/03/735768203.db2.gz SFYCNBGKWJXRDI-CABCVRRESA-N 1 3 348.447 0.766 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC000972189588 735768206 /nfs/dbraw/zinc/76/82/06/735768206.db2.gz SFYCNBGKWJXRDI-CABCVRRESA-N 1 3 348.447 0.766 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC000972190510 735768961 /nfs/dbraw/zinc/76/89/61/735768961.db2.gz ZDERVSVRARNUGL-GJZGRUSLSA-N 1 3 348.447 0.718 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC000972190510 735768967 /nfs/dbraw/zinc/76/89/67/735768967.db2.gz ZDERVSVRARNUGL-GJZGRUSLSA-N 1 3 348.447 0.718 20 0 ECADHO O=C(N1CCO[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249534 736026158 /nfs/dbraw/zinc/02/61/58/736026158.db2.gz JLDSCZCRYGFAOZ-YESZJQIVSA-N 1 3 349.475 0.420 20 0 ECADHO O=C(N1CCO[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249791 736033852 /nfs/dbraw/zinc/03/38/52/736033852.db2.gz WUYSZZKSJRFWOJ-OWCLPIDISA-N 1 3 335.448 0.030 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001167633369 736179070 /nfs/dbraw/zinc/17/90/70/736179070.db2.gz BUUFIWKKJMJJDH-HNNXBMFYSA-N 1 3 347.525 0.780 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098572643 736285888 /nfs/dbraw/zinc/28/58/88/736285888.db2.gz SHBFHLMBESLMQI-MRXNPFEDSA-N 1 3 327.469 0.138 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098572765 736289548 /nfs/dbraw/zinc/28/95/48/736289548.db2.gz ZTBSZHXERGRVSJ-KRWDZBQOSA-N 1 3 341.496 0.529 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098572765 736289552 /nfs/dbraw/zinc/28/95/52/736289552.db2.gz ZTBSZHXERGRVSJ-KRWDZBQOSA-N 1 3 341.496 0.529 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001023025153 736405756 /nfs/dbraw/zinc/40/57/56/736405756.db2.gz XZALWBOYAIQTQD-MCIONIFRSA-N 1 3 333.436 0.414 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001067463713 737321140 /nfs/dbraw/zinc/32/11/40/737321140.db2.gz NLZREBFXZPXQFF-HNNXBMFYSA-N 1 3 326.485 0.585 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067463713 737321144 /nfs/dbraw/zinc/32/11/44/737321144.db2.gz NLZREBFXZPXQFF-HNNXBMFYSA-N 1 3 326.485 0.585 20 0 ECADHO CN(CCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)CN1CCCC1 ZINC001067465983 737415308 /nfs/dbraw/zinc/41/53/08/737415308.db2.gz ZQTNOGIMLSFPFE-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972741480 737583110 /nfs/dbraw/zinc/58/31/10/737583110.db2.gz CJGSUTWMMDBLEK-IUODEOHRSA-N 1 3 331.420 0.182 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972741480 737583113 /nfs/dbraw/zinc/58/31/13/737583113.db2.gz CJGSUTWMMDBLEK-IUODEOHRSA-N 1 3 331.420 0.182 20 0 ECADHO CN(CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001024017321 737620286 /nfs/dbraw/zinc/62/02/86/737620286.db2.gz DOCGJOGUCREPRO-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001006451195 751396891 /nfs/dbraw/zinc/39/68/91/751396891.db2.gz APKMDEIIAJGVPB-ZBFHGGJFSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001006457902 751406544 /nfs/dbraw/zinc/40/65/44/751406544.db2.gz PVPFWHGYCPDONI-CABCVRRESA-N 1 3 348.491 0.530 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000973327410 739100003 /nfs/dbraw/zinc/10/00/03/739100003.db2.gz GBZRKSJBJFLJAM-AAVRWANBSA-N 1 3 333.436 0.364 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973327410 739100005 /nfs/dbraw/zinc/10/00/05/739100005.db2.gz GBZRKSJBJFLJAM-AAVRWANBSA-N 1 3 333.436 0.364 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001104691939 739490586 /nfs/dbraw/zinc/49/05/86/739490586.db2.gz ZFWSOYHCDHXFAO-KFWWJZLASA-N 1 3 326.485 0.489 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000973550032 739512931 /nfs/dbraw/zinc/51/29/31/739512931.db2.gz SZOIELMUQLAUIF-VGWMRTNUSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000973550032 739512937 /nfs/dbraw/zinc/51/29/37/739512937.db2.gz SZOIELMUQLAUIF-VGWMRTNUSA-N 1 3 336.480 0.718 20 0 ECADHO 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ZINC001026890586 742032133 /nfs/dbraw/zinc/03/21/33/742032133.db2.gz LQIRKESWFYAYOE-MRXNPFEDSA-N 1 3 346.475 0.808 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026890604 742032529 /nfs/dbraw/zinc/03/25/29/742032529.db2.gz MACPYRYPSVIZPG-CQSZACIVSA-N 1 3 334.468 0.720 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001026888591 742045572 /nfs/dbraw/zinc/04/55/72/742045572.db2.gz IMIURBRQHDTTNP-CJNGLKHVSA-N 1 3 334.468 0.576 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001026888209 742046145 /nfs/dbraw/zinc/04/61/45/742046145.db2.gz AHEDNVHKUTYXRX-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)nn1 ZINC001027063923 742432454 /nfs/dbraw/zinc/43/24/54/742432454.db2.gz VPSSCDNFIADCHI-GJZGRUSLSA-N 1 3 347.463 0.908 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001027065376 742437023 /nfs/dbraw/zinc/43/70/23/742437023.db2.gz XJYJOWWORADLAL-GJZGRUSLSA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001027065376 742437024 /nfs/dbraw/zinc/43/70/24/742437024.db2.gz XJYJOWWORADLAL-GJZGRUSLSA-N 1 3 334.468 0.578 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001027139955 742749071 /nfs/dbraw/zinc/74/90/71/742749071.db2.gz VDICOJWEECLIBY-HZPDHXFCSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC000996996947 743108833 /nfs/dbraw/zinc/10/88/33/743108833.db2.gz CKJLBFBDVLHZIM-GDBMZVCRSA-N 1 3 346.479 0.830 20 0 ECADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1=O ZINC000997008792 743122859 /nfs/dbraw/zinc/12/28/59/743122859.db2.gz XEEWSGHGKJTTJU-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CC(=O)N2CCC([NH2+]CC(=O)N3CCC3)CC2)CC1 ZINC000997114689 743251734 /nfs/dbraw/zinc/25/17/34/743251734.db2.gz FTGGLYCLAJDJMV-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO Cn1ccnc1CNC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000997128535 743268058 /nfs/dbraw/zinc/26/80/58/743268058.db2.gz YQUUNHSCQDSTMO-UHFFFAOYSA-N 1 3 349.479 0.612 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997306659 743469662 /nfs/dbraw/zinc/46/96/62/743469662.db2.gz HSIBUGNXLUOMTB-UHFFFAOYSA-N 1 3 334.468 0.783 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC(NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000997372200 743545252 /nfs/dbraw/zinc/54/52/52/743545252.db2.gz DSBSZSWPQHKATD-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000997372200 743545253 /nfs/dbraw/zinc/54/52/53/743545253.db2.gz DSBSZSWPQHKATD-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001020586367 751844280 /nfs/dbraw/zinc/84/42/80/751844280.db2.gz MVRUPHWTDFRIOZ-QEJZJMRPSA-N 1 3 333.436 0.706 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001020586367 751844289 /nfs/dbraw/zinc/84/42/89/751844289.db2.gz MVRUPHWTDFRIOZ-QEJZJMRPSA-N 1 3 333.436 0.706 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)CC1 ZINC000997885377 743869899 /nfs/dbraw/zinc/86/98/99/743869899.db2.gz GQVZETFSXSWGRE-IKGGRYGDSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC000998039521 743944527 /nfs/dbraw/zinc/94/45/27/743944527.db2.gz BLEUOPIOAPFSFZ-MRXNPFEDSA-N 1 3 336.484 0.730 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3cnnn3C)CC2)C1 ZINC000998081552 743966553 /nfs/dbraw/zinc/96/65/53/743966553.db2.gz JJWOYHSMKHGWCA-CQSZACIVSA-N 1 3 334.468 0.485 20 0 ECADHO CCN1CC[C@H]([NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000998119598 743988083 /nfs/dbraw/zinc/98/80/83/743988083.db2.gz NLNDQXSZYBQALU-HNNXBMFYSA-N 1 3 333.436 0.401 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000998289425 744101234 /nfs/dbraw/zinc/10/12/34/744101234.db2.gz LZFPSJWCIZPQTF-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC000998633341 744261131 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ARKBSNPLCJEEHU-QAPCUYQASA-N 1 3 345.491 0.909 20 0 ECADHO CC[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)c2cnccc2N(C)C)CC1 ZINC001001377925 746324041 /nfs/dbraw/zinc/32/40/41/746324041.db2.gz YJLPUQZDIJRXOA-OAHLLOKOSA-N 1 3 345.447 0.773 20 0 ECADHO CC[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)c2cnccc2N(C)C)CC1 ZINC001001377925 746324046 /nfs/dbraw/zinc/32/40/46/746324046.db2.gz YJLPUQZDIJRXOA-OAHLLOKOSA-N 1 3 345.447 0.773 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(CCn3cncn3)CC2)CC[N@@H+]1C ZINC001001423939 746361711 /nfs/dbraw/zinc/36/17/11/746361711.db2.gz FNIXBYIVLSFPNC-DLBZAZTESA-N 1 3 348.495 0.837 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(CCn3cncn3)CC2)CC[N@H+]1C ZINC001001423939 746361717 /nfs/dbraw/zinc/36/17/17/746361717.db2.gz FNIXBYIVLSFPNC-DLBZAZTESA-N 1 3 348.495 0.837 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105361144 752084143 /nfs/dbraw/zinc/08/41/43/752084143.db2.gz RRWRUANZHUNWQZ-OAHLLOKOSA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105361144 752084146 /nfs/dbraw/zinc/08/41/46/752084146.db2.gz RRWRUANZHUNWQZ-OAHLLOKOSA-N 1 3 346.479 0.893 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001087908382 746635096 /nfs/dbraw/zinc/63/50/96/746635096.db2.gz AQQCMKBHHLKVSW-IXDOHACOSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001087908382 746635099 /nfs/dbraw/zinc/63/50/99/746635099.db2.gz AQQCMKBHHLKVSW-IXDOHACOSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@@H](N2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001002043303 746918084 /nfs/dbraw/zinc/91/80/84/746918084.db2.gz NEVIDAWLJNREQN-MRXNPFEDSA-N 1 3 348.491 0.531 20 0 ECADHO Cn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC000984808626 746965178 /nfs/dbraw/zinc/96/51/78/746965178.db2.gz MYVPSCOFRJYCOF-HDJSIYSDSA-N 1 3 334.468 0.531 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000979046846 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ZINC000985458644 748095007 /nfs/dbraw/zinc/09/50/07/748095007.db2.gz FHTDGBFOYFGAPP-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC001003622870 748737289 /nfs/dbraw/zinc/73/72/89/748737289.db2.gz ARMPAIQCCJERAG-HNNXBMFYSA-N 1 3 346.475 0.950 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001003633378 748746102 /nfs/dbraw/zinc/74/61/02/748746102.db2.gz GOHGSTNAXLJLPY-RHSMWYFYSA-N 1 3 333.480 0.741 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001003633378 748746104 /nfs/dbraw/zinc/74/61/04/748746104.db2.gz GOHGSTNAXLJLPY-RHSMWYFYSA-N 1 3 333.480 0.741 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001003776515 748882831 /nfs/dbraw/zinc/88/28/31/748882831.db2.gz UQBZXCGWLGFGJT-SJORKVTESA-N 1 3 346.479 0.876 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001003776515 748882832 /nfs/dbraw/zinc/88/28/32/748882832.db2.gz UQBZXCGWLGFGJT-SJORKVTESA-N 1 3 346.479 0.876 20 0 ECADHO NC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980087941 748969697 /nfs/dbraw/zinc/96/96/97/748969697.db2.gz SUDSFROAHVPUSM-RRFJBIMHSA-N 1 3 334.464 0.317 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC001029861579 748993768 /nfs/dbraw/zinc/99/37/68/748993768.db2.gz PUKNJFXJQKAGDF-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1)[NH+]1CCCC1 ZINC000985800959 749131044 /nfs/dbraw/zinc/13/10/44/749131044.db2.gz YZCLSDBDDBOFQE-ZBFHGGJFSA-N 1 3 338.496 0.903 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059673532 749328507 /nfs/dbraw/zinc/32/85/07/749328507.db2.gz ATOABHDPTOPDND-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001059673532 749328515 /nfs/dbraw/zinc/32/85/15/749328515.db2.gz ATOABHDPTOPDND-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)[C@H]1CCNC1=O ZINC001029909684 749564538 /nfs/dbraw/zinc/56/45/38/749564538.db2.gz PNBWZKIKQWZOAM-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CCC[N@H+](C)CCC(=O)NCCC1(CNCc2cnnn2C)CC1 ZINC001167812645 749754311 /nfs/dbraw/zinc/75/43/11/749754311.db2.gz RYXJZUKGSVEBFA-UHFFFAOYSA-N 1 3 336.484 0.923 20 0 ECADHO CCC[N@@H+](C)CCC(=O)NCCC1(CNCc2cnnn2C)CC1 ZINC001167812645 749754317 /nfs/dbraw/zinc/75/43/17/749754317.db2.gz RYXJZUKGSVEBFA-UHFFFAOYSA-N 1 3 336.484 0.923 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001167815393 749857312 /nfs/dbraw/zinc/85/73/12/749857312.db2.gz SYRPVGOOFOLJLB-ZDUSSCGKSA-N 1 3 338.452 0.010 20 0 ECADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001100899790 750003478 /nfs/dbraw/zinc/00/34/78/750003478.db2.gz AAHBFWXYCIPMRQ-UHFFFAOYSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1[C@H](NCc2cnnn2C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987126526 750512372 /nfs/dbraw/zinc/51/23/72/750512372.db2.gz WALZJDAESJXFQI-CZUORRHYSA-N 1 3 334.468 0.626 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC001167836273 750514695 /nfs/dbraw/zinc/51/46/95/750514695.db2.gz RQCCGVMAZJFBCC-HNNXBMFYSA-N 1 3 348.495 0.983 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059790648 750683562 /nfs/dbraw/zinc/68/35/62/750683562.db2.gz SZWRUPNALZMWPD-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCCN(CCCF)CC1 ZINC000981646716 750930635 /nfs/dbraw/zinc/93/06/35/750930635.db2.gz SCWJFHHTCTWIGF-ISXOHVOVSA-N 1 3 325.428 0.744 20 0 ECADHO O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCCN(CCCF)CC1 ZINC000981646716 750930637 /nfs/dbraw/zinc/93/06/37/750930637.db2.gz SCWJFHHTCTWIGF-ISXOHVOVSA-N 1 3 325.428 0.744 20 0 ECADHO COC[C@@H](C)N1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646702 750930756 /nfs/dbraw/zinc/93/07/56/750930756.db2.gz RYIPAOLIBRGGNR-CTMQZQKCSA-N 1 3 337.464 0.419 20 0 ECADHO COC[C@@H](C)N1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646702 750930762 /nfs/dbraw/zinc/93/07/62/750930762.db2.gz RYIPAOLIBRGGNR-CTMQZQKCSA-N 1 3 337.464 0.419 20 0 ECADHO C[C@@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987567669 750969769 /nfs/dbraw/zinc/96/97/69/750969769.db2.gz GAWDJUJEFHBEKI-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001020904861 752317264 /nfs/dbraw/zinc/31/72/64/752317264.db2.gz MGZGCKOCKLBBNI-WKILWMFISA-N 1 3 346.479 0.674 20 0 ECADHO CO[C@@H](C)CN1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360620 752327640 /nfs/dbraw/zinc/32/76/40/752327640.db2.gz SHZKHDJLIYAVHQ-LSDHHAIUSA-N 1 3 337.468 0.674 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001021092321 752532623 /nfs/dbraw/zinc/53/26/23/752532623.db2.gz KFHOEXLVDRTZEL-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001021093513 752533746 /nfs/dbraw/zinc/53/37/46/752533746.db2.gz DYASULJLAODDQX-ZOBUZTSGSA-N 1 3 344.459 0.877 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001021093511 752533976 /nfs/dbraw/zinc/53/39/76/752533976.db2.gz DYASULJLAODDQX-BFYDXBDKSA-N 1 3 344.459 0.877 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001021096769 752537334 /nfs/dbraw/zinc/53/73/34/752537334.db2.gz XTUFOIRXNBHJKE-KKUMJFAQSA-N 1 3 337.468 0.123 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001030019321 752707100 /nfs/dbraw/zinc/70/71/00/752707100.db2.gz PTDSZOPOOMQLPB-XHSDSOJGSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CN1CCCC1 ZINC000988778346 752795915 /nfs/dbraw/zinc/79/59/15/752795915.db2.gz GVQVJVQLHUYQDC-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CN1C(=O)CN(C)C1CCC1 ZINC000988964657 753087535 /nfs/dbraw/zinc/08/75/35/753087535.db2.gz DETGBBNKKFFVFZ-ZIAGYGMSSA-N 1 3 337.468 0.075 20 0 ECADHO CC(C)CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372472 753677299 /nfs/dbraw/zinc/67/72/99/753677299.db2.gz IWXVQNMZEHIEHL-AWEZNQCLSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372472 753677301 /nfs/dbraw/zinc/67/73/01/753677301.db2.gz IWXVQNMZEHIEHL-AWEZNQCLSA-N 1 3 334.468 0.749 20 0 ECADHO C[C@H]1C[C@@H](NCC(=O)N2CCCC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989380536 753743738 /nfs/dbraw/zinc/74/37/38/753743738.db2.gz NZGOXIBFUNBUCW-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCN(C[C@H]3CCc4ncnn43)CC2)C1 ZINC000989481140 754016821 /nfs/dbraw/zinc/01/68/21/754016821.db2.gz PXXABCPUPOXEDI-JKSUJKDBSA-N 1 3 346.479 0.642 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(C[C@H]3CCc4ncnn43)CC2)C1 ZINC000989481140 754016825 /nfs/dbraw/zinc/01/68/25/754016825.db2.gz PXXABCPUPOXEDI-JKSUJKDBSA-N 1 3 346.479 0.642 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC000982879243 754065924 /nfs/dbraw/zinc/06/59/24/754065924.db2.gz KWUBKCYBVLXXKB-HOCLYGCPSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@H]1C[C@@H](NCc2cncn2C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989618436 754192874 /nfs/dbraw/zinc/19/28/74/754192874.db2.gz JRPFOBQYMMZKIO-LSDHHAIUSA-N 1 3 349.479 0.610 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)n1 ZINC000989798722 754458789 /nfs/dbraw/zinc/45/87/89/754458789.db2.gz DTBSSPGKVGKOSG-CZUORRHYSA-N 1 3 334.468 0.570 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)CN1CCCC1 ZINC000989799510 754459884 /nfs/dbraw/zinc/45/98/84/754459884.db2.gz MNYOFGMWNITRFP-GDBMZVCRSA-N 1 3 332.448 0.560 20 0 ECADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(C(N)=O)c2)CN1C(=O)CN1CCCC1 ZINC000989799043 754460353 /nfs/dbraw/zinc/46/03/53/754460353.db2.gz IYAIKYVXCYKAKA-YOEHRIQHSA-N 1 3 344.459 0.960 20 0 ECADHO O=C(N[C@@H]1CCCN(CCCN2CCCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001009221476 754672961 /nfs/dbraw/zinc/67/29/61/754672961.db2.gz VLUJVHHDWUGSGI-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO CC1CC(CN2C[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H](O)C2)C1 ZINC001083470342 755281584 /nfs/dbraw/zinc/28/15/84/755281584.db2.gz MIPRLEKMLKWNHB-MMADZMRASA-N 1 3 349.479 0.266 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001030021611 755736564 /nfs/dbraw/zinc/73/65/64/755736564.db2.gz GHVWTXXDIYQMSB-KKUMJFAQSA-N 1 3 345.509 0.342 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001142591054 755786029 /nfs/dbraw/zinc/78/60/29/755786029.db2.gz YYFMBFHFGULRKO-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CC3CC[NH+]2CC3)CC1 ZINC001142637433 755927620 /nfs/dbraw/zinc/92/76/20/755927620.db2.gz HHXOPHQHTZOHLV-BZUAXINKSA-N 1 3 336.480 0.576 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001010722787 756444594 /nfs/dbraw/zinc/44/45/94/756444594.db2.gz UFCRDAGKYUUVAI-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO O=C(N1CC[C@H]2CN(CCn3cccn3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076465642 756554634 /nfs/dbraw/zinc/55/46/34/756554634.db2.gz OTHKOQFCFJDJSM-JKSUJKDBSA-N 1 3 329.448 0.512 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051615961 762481661 /nfs/dbraw/zinc/48/16/61/762481661.db2.gz FFJKOPIWQNVPJU-SJORKVTESA-N 1 3 347.463 0.079 20 0 ECADHO Cc1cc(C)n(CCN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076567679 756666297 /nfs/dbraw/zinc/66/62/97/756666297.db2.gz FBTAGDOTANAKGU-OKZBNKHCSA-N 1 3 345.491 0.984 20 0 ECADHO Cc1cc(C)n(CCN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076567679 756666300 /nfs/dbraw/zinc/66/63/00/756666300.db2.gz FBTAGDOTANAKGU-OKZBNKHCSA-N 1 3 345.491 0.984 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001076627555 756748514 /nfs/dbraw/zinc/74/85/14/756748514.db2.gz QJIJOIBKCQAWLH-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001076627555 756748517 /nfs/dbraw/zinc/74/85/17/756748517.db2.gz QJIJOIBKCQAWLH-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C1(N(C)C)CCC1 ZINC001076748218 756959681 /nfs/dbraw/zinc/95/96/81/756959681.db2.gz MSJPHLVASUAYPJ-RRFJBIMHSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)C1(N(C)C)CCC1 ZINC001076748218 756959684 /nfs/dbraw/zinc/95/96/84/756959684.db2.gz MSJPHLVASUAYPJ-RRFJBIMHSA-N 1 3 338.496 0.822 20 0 ECADHO O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1C[C@H]2CN(C/C=C/Cl)C[C@H]2C1 ZINC001048834122 757140730 /nfs/dbraw/zinc/14/07/30/757140730.db2.gz ZSACJUYTYTVXBC-YQMVCGMZSA-N 1 3 339.867 0.992 20 0 ECADHO O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1C[C@H]2CN(C/C=C/Cl)C[C@H]2C1 ZINC001048834122 757140733 /nfs/dbraw/zinc/14/07/33/757140733.db2.gz ZSACJUYTYTVXBC-YQMVCGMZSA-N 1 3 339.867 0.992 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001011208636 757191538 /nfs/dbraw/zinc/19/15/38/757191538.db2.gz JPDIBWQXBCYUDY-BZUAXINKSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001011208636 757191541 /nfs/dbraw/zinc/19/15/41/757191541.db2.gz JPDIBWQXBCYUDY-BZUAXINKSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001048863643 757220284 /nfs/dbraw/zinc/22/02/84/757220284.db2.gz JSOARGMMQCGNJB-MKVSYHDVSA-N 1 3 348.491 0.384 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1)C1CCC1 ZINC001048865190 757223226 /nfs/dbraw/zinc/22/32/26/757223226.db2.gz ZAHFSTAZPZSZLJ-HLLBOEOZSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1)C1CCC1 ZINC001048865190 757223232 /nfs/dbraw/zinc/22/32/32/757223232.db2.gz ZAHFSTAZPZSZLJ-HLLBOEOZSA-N 1 3 348.491 0.482 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001048872871 757248454 /nfs/dbraw/zinc/24/84/54/757248454.db2.gz IVUHTVFBEUJJEQ-XUWVNRHRSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001048872871 757248465 /nfs/dbraw/zinc/24/84/65/757248465.db2.gz IVUHTVFBEUJJEQ-XUWVNRHRSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CCn3cncn3)C(C)(C)C2)C1 ZINC000996300920 757310291 /nfs/dbraw/zinc/31/02/91/757310291.db2.gz PCIONHGPDPECNU-CABCVRRESA-N 1 3 334.468 0.447 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001011262414 757322409 /nfs/dbraw/zinc/32/24/09/757322409.db2.gz GIBFGDPCRLMTSW-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001011262414 757322419 /nfs/dbraw/zinc/32/24/19/757322419.db2.gz GIBFGDPCRLMTSW-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)C1CCC1 ZINC001011264859 757336087 /nfs/dbraw/zinc/33/60/87/757336087.db2.gz UKTINYZLNMTXQY-QGZVFWFLSA-N 1 3 336.480 0.482 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCNC1=O ZINC001021448494 757458905 /nfs/dbraw/zinc/45/89/05/757458905.db2.gz QEGYZCCAFLXQLV-NQKGRLOXSA-N 1 3 345.447 0.651 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001021448494 757458909 /nfs/dbraw/zinc/45/89/09/757458909.db2.gz QEGYZCCAFLXQLV-NQKGRLOXSA-N 1 3 345.447 0.651 20 0 ECADHO CN(C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CC[N@H+](C)C1)C2)C1CC1 ZINC001021459636 757473283 /nfs/dbraw/zinc/47/32/83/757473283.db2.gz PLGRLJDIIVBEEM-ZBSSRIJBSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CC[N@@H+](C)C1)C2)C1CC1 ZINC001021459636 757473290 /nfs/dbraw/zinc/47/32/90/757473290.db2.gz PLGRLJDIIVBEEM-ZBSSRIJBSA-N 1 3 348.491 0.671 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048976716 757577150 /nfs/dbraw/zinc/57/71/50/757577150.db2.gz QPNQLRHWDKCCBV-QLFBSQMISA-N 1 3 336.480 0.515 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001076927842 757625662 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CC[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014439 757942692 /nfs/dbraw/zinc/94/26/92/757942692.db2.gz WXPJBFDQEIDWHR-FVQBIDKESA-N 1 3 337.468 0.266 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+]C[C@@H]3CCCCO3)C2)CCC1 ZINC001051652612 762594520 /nfs/dbraw/zinc/59/45/20/762594520.db2.gz SXNQJROTSOVWDD-HOTGVXAUSA-N 1 3 339.480 0.857 20 0 ECADHO CN(CC(=O)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1)C1CCC1 ZINC001051656027 762608046 /nfs/dbraw/zinc/60/80/46/762608046.db2.gz YQEFREUUPRCXRC-QGZVFWFLSA-N 1 3 339.480 0.714 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nn1 ZINC000996609777 758239257 /nfs/dbraw/zinc/23/92/57/758239257.db2.gz WSWDDUKKXQXTHK-CZUORRHYSA-N 1 3 347.463 0.906 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1 ZINC000996609777 758239263 /nfs/dbraw/zinc/23/92/63/758239263.db2.gz WSWDDUKKXQXTHK-CZUORRHYSA-N 1 3 347.463 0.906 20 0 ECADHO Cc1cc(CNC2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)on1 ZINC000996625201 758272444 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Cn1cnnc1CNC[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001048624573 760808679 /nfs/dbraw/zinc/80/86/79/760808679.db2.gz VLFJKFCPWHXGAE-JYJNAYRXSA-N 1 3 348.495 0.779 20 0 ECADHO Cn1cnnc1CNC[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001048624573 760808692 /nfs/dbraw/zinc/80/86/92/760808692.db2.gz VLFJKFCPWHXGAE-JYJNAYRXSA-N 1 3 348.495 0.779 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050801280 760879985 /nfs/dbraw/zinc/87/99/85/760879985.db2.gz ZIVWYZQTOQKENE-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC000991479340 761139555 /nfs/dbraw/zinc/13/95/55/761139555.db2.gz NUMCNSBTQBWZDP-GDBMZVCRSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC000991479340 761139559 /nfs/dbraw/zinc/13/95/59/761139559.db2.gz NUMCNSBTQBWZDP-GDBMZVCRSA-N 1 3 336.480 0.671 20 0 ECADHO O=C(N[C@@H]1CCN(CCCN2CCCC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014461121 762716356 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Cc1ncc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051932170 763372624 /nfs/dbraw/zinc/37/26/24/763372624.db2.gz MBTZJCZPAVITLC-CVEARBPZSA-N 1 3 333.436 0.054 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001017585671 768155285 /nfs/dbraw/zinc/15/52/85/768155285.db2.gz PIVOXCGLGIMVAY-INIZCTEOSA-N 1 3 346.475 0.451 20 0 ECADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](CNCc2nncn2C)[C@H](C)C1 ZINC001106339622 768165127 /nfs/dbraw/zinc/16/51/27/768165127.db2.gz WIJHHAGXNXGLTP-ZIAGYGMSSA-N 1 3 336.484 0.730 20 0 ECADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](CNCc2nncn2C)[C@H](C)C1 ZINC001106339622 768165132 /nfs/dbraw/zinc/16/51/32/768165132.db2.gz WIJHHAGXNXGLTP-ZIAGYGMSSA-N 1 3 336.484 0.730 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1)N(C)C ZINC000991849065 763966985 /nfs/dbraw/zinc/96/69/85/763966985.db2.gz DILXOOOWDCQBJC-OAHLLOKOSA-N 1 3 338.496 0.918 20 0 ECADHO Cn1nccc1CCN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015793632 765330793 /nfs/dbraw/zinc/33/07/93/765330793.db2.gz BITZNHOHDZVKHU-INIZCTEOSA-N 1 3 333.480 0.885 20 0 ECADHO CCn1cc(CCN2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001015997872 765691576 /nfs/dbraw/zinc/69/15/76/765691576.db2.gz IKDHKMSHKBZUFE-RDJZCZTQSA-N 1 3 333.480 0.978 20 0 ECADHO CCn1cc(CCN2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001015997872 765691589 /nfs/dbraw/zinc/69/15/89/765691589.db2.gz IKDHKMSHKBZUFE-RDJZCZTQSA-N 1 3 333.480 0.978 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)CN(C)C1CCC1 ZINC001053362385 766034685 /nfs/dbraw/zinc/03/46/85/766034685.db2.gz RYANJJRRQNFJBG-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001053436649 766130304 /nfs/dbraw/zinc/13/03/04/766130304.db2.gz LGEVAZUJTMMTNC-HIFRSBDPSA-N 1 3 349.479 0.813 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001053436649 766130313 /nfs/dbraw/zinc/13/03/13/766130313.db2.gz LGEVAZUJTMMTNC-HIFRSBDPSA-N 1 3 349.479 0.813 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089589024 766355004 /nfs/dbraw/zinc/35/50/04/766355004.db2.gz DGPRKCHXYIFQEG-WMLDXEAASA-N 1 3 346.479 0.893 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089589024 766355014 /nfs/dbraw/zinc/35/50/14/766355014.db2.gz DGPRKCHXYIFQEG-WMLDXEAASA-N 1 3 346.479 0.893 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2CCn1cncn1)[NH+](C)C ZINC001045841797 766425825 /nfs/dbraw/zinc/42/58/25/766425825.db2.gz MPUQBECECMCNIY-IXDOHACOSA-N 1 3 348.495 0.930 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN([C@H]3CC[N@H+](CCCF)C3)CC2)C1 ZINC001046064871 766846333 /nfs/dbraw/zinc/84/63/33/766846333.db2.gz XFHYJAWGSXKDNU-SJORKVTESA-N 1 3 340.487 0.906 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN([C@H]3CC[N@@H+](CCCF)C3)CC2)C1 ZINC001046064871 766846338 /nfs/dbraw/zinc/84/63/38/766846338.db2.gz XFHYJAWGSXKDNU-SJORKVTESA-N 1 3 340.487 0.906 20 0 ECADHO CN1CC[C@@H](N2CCC3(C[C@@H]3NC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001016799422 766950120 /nfs/dbraw/zinc/95/01/20/766950120.db2.gz JXVGBWBIYCPSLQ-CVEARBPZSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001077567097 767211596 /nfs/dbraw/zinc/21/15/96/767211596.db2.gz ZYVKXPQFGZJGFW-BZUAXINKSA-N 1 3 325.453 0.223 20 0 ECADHO CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001077567097 767211598 /nfs/dbraw/zinc/21/15/98/767211598.db2.gz ZYVKXPQFGZJGFW-BZUAXINKSA-N 1 3 325.453 0.223 20 0 ECADHO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001077567097 767211599 /nfs/dbraw/zinc/21/15/99/767211599.db2.gz ZYVKXPQFGZJGFW-BZUAXINKSA-N 1 3 325.453 0.223 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC000994927917 767261848 /nfs/dbraw/zinc/26/18/48/767261848.db2.gz VWNXDLWSUUHYEN-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(C[NH+]1CCCC1)N[C@H]1COC2(CN(CC3CCOCC3)C2)C1 ZINC001054009222 767587626 /nfs/dbraw/zinc/58/76/26/767587626.db2.gz RMHJYFCHLRSXLO-MRXNPFEDSA-N 1 3 337.464 0.468 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)C1 ZINC000992822573 767638541 /nfs/dbraw/zinc/63/85/41/767638541.db2.gz WSBIDFNDTHENBS-RRFJBIMHSA-N 1 3 336.480 0.420 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@@H]([NH2+]CCn3cncn3)[C@@H]2C1 ZINC000992829216 767653091 /nfs/dbraw/zinc/65/30/91/767653091.db2.gz DPBXLCDUICTMSJ-NUEKZKHPSA-N 1 3 343.435 0.461 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001098780455 767687724 /nfs/dbraw/zinc/68/77/24/767687724.db2.gz WHKMPYZMHJVHDT-RDJZCZTQSA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001098780455 767687731 /nfs/dbraw/zinc/68/77/31/767687731.db2.gz WHKMPYZMHJVHDT-RDJZCZTQSA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN2CCCC2)C1)[C@@H]1CCCNC1=O ZINC001017259055 767781326 /nfs/dbraw/zinc/78/13/26/767781326.db2.gz BKKWKLGFTGJREU-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN2CCCC2)C1)[C@@H]1CCCNC1=O ZINC001017259055 767781331 /nfs/dbraw/zinc/78/13/31/767781331.db2.gz BKKWKLGFTGJREU-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO Cc1nnc(CNC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)[nH]1 ZINC001106593592 768475293 /nfs/dbraw/zinc/47/52/93/768475293.db2.gz GAMMBDCQZCNCAE-TZMCWYRMSA-N 1 3 334.468 0.639 20 0 ECADHO CC(C)n1cc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)nn1 ZINC001106622493 768521725 /nfs/dbraw/zinc/52/17/25/768521725.db2.gz AZROLWUGNJGMQW-HUUCEWRRSA-N 1 3 336.484 0.995 20 0 ECADHO CCn1c(C)nnc1CNC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622541 768522486 /nfs/dbraw/zinc/52/24/86/768522486.db2.gz DRGREAKIQFSWSE-UKRRQHHQSA-N 1 3 336.484 0.742 20 0 ECADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(N)=O ZINC001106668172 768582890 /nfs/dbraw/zinc/58/28/90/768582890.db2.gz GICFPMQVCRTGHG-KFWWJZLASA-N 1 3 338.496 0.666 20 0 ECADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(N)=O ZINC001106673310 768587832 /nfs/dbraw/zinc/58/78/32/768587832.db2.gz VESSOEHGMVIQQJ-KFWWJZLASA-N 1 3 340.512 0.912 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106704867 768693303 /nfs/dbraw/zinc/69/33/03/768693303.db2.gz GKVKDOKPESLUJB-CHWSQXEVSA-N 1 3 333.436 0.257 20 0 ECADHO CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106784180 768950900 /nfs/dbraw/zinc/95/09/00/768950900.db2.gz CYJVYCPEHSVLFO-OWCLPIDISA-N 1 3 340.512 0.927 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000993880685 769779128 /nfs/dbraw/zinc/77/91/28/769779128.db2.gz NTGKKLAYWSTJKL-HZPDHXFCSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000993933381 769851361 /nfs/dbraw/zinc/85/13/61/769851361.db2.gz TUUICXFATSCSAF-GDBMZVCRSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000993933381 769851372 /nfs/dbraw/zinc/85/13/72/769851372.db2.gz TUUICXFATSCSAF-GDBMZVCRSA-N 1 3 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Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000420414038 209362165 /nfs/dbraw/zinc/36/21/65/209362165.db2.gz GNCQCFPKHSSIKT-UHFFFAOYSA-N 1 3 343.497 0.611 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420225625 209344364 /nfs/dbraw/zinc/34/43/64/209344364.db2.gz YSUQWNZEMGTYDP-INIZCTEOSA-N 1 3 334.464 0.499 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000420150392 209322942 /nfs/dbraw/zinc/32/29/42/209322942.db2.gz XBIBJWBZXRINNB-LSDHHAIUSA-N 1 3 326.485 0.714 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000420150392 209322944 /nfs/dbraw/zinc/32/29/44/209322944.db2.gz XBIBJWBZXRINNB-LSDHHAIUSA-N 1 3 326.485 0.714 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000420135879 209316415 /nfs/dbraw/zinc/31/64/15/209316415.db2.gz CJKWZHNXNOWNJI-GJZGRUSLSA-N 1 3 326.485 0.953 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000420135879 209316418 /nfs/dbraw/zinc/31/64/18/209316418.db2.gz CJKWZHNXNOWNJI-GJZGRUSLSA-N 1 3 326.485 0.953 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420072944 209298584 /nfs/dbraw/zinc/29/85/84/209298584.db2.gz XQKXPOZVUVKYQC-KBMXLJTQSA-N 1 3 338.496 0.809 20 0 ECADHO CN1CCN(CCCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000325970262 201077485 /nfs/dbraw/zinc/07/74/85/201077485.db2.gz VEIFQJLVQMYXGB-RVKKMQEKSA-N 1 3 338.496 0.273 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420002259 209274456 /nfs/dbraw/zinc/27/44/56/209274456.db2.gz WFQDGJQXBLQCQJ-AWEZNQCLSA-N 1 3 334.464 0.950 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000419954327 209260157 /nfs/dbraw/zinc/26/01/57/209260157.db2.gz MDBOFLHOABSZHM-GJZGRUSLSA-N 1 3 342.484 0.045 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419901923 209244323 /nfs/dbraw/zinc/24/43/23/209244323.db2.gz VHKCEKXBHFLMFO-UONOGXRCSA-N 1 3 336.436 0.556 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000419869628 209232456 /nfs/dbraw/zinc/23/24/56/209232456.db2.gz IUIHNSBZINVHGF-UHFFFAOYSA-N 1 3 346.475 0.489 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CCC(C)CC1 ZINC000356468822 299392745 /nfs/dbraw/zinc/39/27/45/299392745.db2.gz ZJTRRCBYELXMPL-GJZGRUSLSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CCC(C)CC1 ZINC000356468822 299392747 /nfs/dbraw/zinc/39/27/47/299392747.db2.gz ZJTRRCBYELXMPL-GJZGRUSLSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000419692529 209172195 /nfs/dbraw/zinc/17/21/95/209172195.db2.gz HAFRPZREDRKETG-HRCADAONSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)(CNC(=O)C(=O)N[C@H](CN)C1CCCC1)C[NH+]1CCCC1 ZINC000419671764 209166977 /nfs/dbraw/zinc/16/69/77/209166977.db2.gz YVNHECMYDSAJKX-OAHLLOKOSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419663469 209162340 /nfs/dbraw/zinc/16/23/40/209162340.db2.gz QAZDTJGLQWAAHQ-BFYDXBDKSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000419654311 209158512 /nfs/dbraw/zinc/15/85/12/209158512.db2.gz ZRIWQOWSISQQNN-YOEHRIQHSA-N 1 3 346.475 0.950 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000419634265 209152376 /nfs/dbraw/zinc/15/23/76/209152376.db2.gz BYKFKKLTDRASIU-PMPSAXMXSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000419634265 209152380 /nfs/dbraw/zinc/15/23/80/209152380.db2.gz BYKFKKLTDRASIU-PMPSAXMXSA-N 1 3 336.480 0.753 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000419626968 209149802 /nfs/dbraw/zinc/14/98/02/209149802.db2.gz DEIHWDKMQNHFGI-OAHLLOKOSA-N 1 3 346.475 0.952 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419585096 209133262 /nfs/dbraw/zinc/13/32/62/209133262.db2.gz LFSDXZMXLUYQSM-BFHYXJOUSA-N 1 3 340.468 0.206 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419585096 209133267 /nfs/dbraw/zinc/13/32/67/209133267.db2.gz LFSDXZMXLUYQSM-BFHYXJOUSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@@H](NCCN1C(=O)CNC1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000134115881 205393728 /nfs/dbraw/zinc/39/37/28/205393728.db2.gz NRKSWUUDADEKNW-CYBMUJFWSA-N 1 3 334.420 0.829 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000418948762 284657953 /nfs/dbraw/zinc/65/79/53/284657953.db2.gz QRNRBFKOKVAQJC-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000448244932 211234326 /nfs/dbraw/zinc/23/43/26/211234326.db2.gz WMDLMRKNRIXDKF-JKSUJKDBSA-N 1 3 332.448 0.780 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000448244932 211234329 /nfs/dbraw/zinc/23/43/29/211234329.db2.gz WMDLMRKNRIXDKF-JKSUJKDBSA-N 1 3 332.448 0.780 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)CC1=O ZINC000444264529 211062524 /nfs/dbraw/zinc/06/25/24/211062524.db2.gz PMHFTHQICVQVFY-ARFHVFGLSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1)N(C)C ZINC000412317446 208221778 /nfs/dbraw/zinc/22/17/78/208221778.db2.gz FBIVKUXWNVWVGS-CABCVRRESA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cccc(OCCN(C)C)c1 ZINC000414201396 208397186 /nfs/dbraw/zinc/39/71/86/208397186.db2.gz YEEHRDPYZYVWIA-GOEBONIOSA-N 1 3 333.436 0.930 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1=O ZINC000429182338 210303610 /nfs/dbraw/zinc/30/36/10/210303610.db2.gz MLTUPJBSICQEQU-JJXSEGSLSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)CC[NH2+]1 ZINC000417947915 208764209 /nfs/dbraw/zinc/76/42/09/208764209.db2.gz IJFUUIZHSOQXNF-DZGCQCFKSA-N 1 3 335.452 0.962 20 0 ECADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H](C)CN)CC1 ZINC000419149339 209001857 /nfs/dbraw/zinc/00/18/57/209001857.db2.gz KBFBGNVNJWNFDD-AWEZNQCLSA-N 1 3 326.485 0.666 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC(=O)NC ZINC000459105827 285244246 /nfs/dbraw/zinc/24/42/46/285244246.db2.gz PGFJYYUBHBTKFN-LSDHHAIUSA-N 1 3 341.500 0.569 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC(=O)NC ZINC000459105827 285244247 /nfs/dbraw/zinc/24/42/47/285244247.db2.gz PGFJYYUBHBTKFN-LSDHHAIUSA-N 1 3 341.500 0.569 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000449736688 285254601 /nfs/dbraw/zinc/25/46/01/285254601.db2.gz XGYOPUPQKCPOMJ-MWDXBVQZSA-N 1 3 348.491 0.530 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COC[C@@H]1OC ZINC000459312662 285278598 /nfs/dbraw/zinc/27/85/98/285278598.db2.gz JXPNSRNUFVKHHZ-XHSDSOJGSA-N 1 3 342.484 0.458 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COC[C@@H]1OC ZINC000459312662 285278602 /nfs/dbraw/zinc/27/86/02/285278602.db2.gz JXPNSRNUFVKHHZ-XHSDSOJGSA-N 1 3 342.484 0.458 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000419192604 209018484 /nfs/dbraw/zinc/01/84/84/209018484.db2.gz PLVOYMJSXMFFPH-AWEZNQCLSA-N 1 3 332.448 0.539 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000419222428 209030624 /nfs/dbraw/zinc/03/06/24/209030624.db2.gz WXZZBCCPTKGTNQ-OAHLLOKOSA-N 1 3 348.447 0.193 20 0 ECADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419227834 209033800 /nfs/dbraw/zinc/03/38/00/209033800.db2.gz LIOHEZITEISPAF-HRCADAONSA-N 1 3 336.480 0.611 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000419230274 209034290 /nfs/dbraw/zinc/03/42/90/209034290.db2.gz PPGBRXQWOPMGRM-RBSFLKMASA-N 1 3 346.475 0.723 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419232023 209035090 /nfs/dbraw/zinc/03/50/90/209035090.db2.gz TZBHWJHICJMREW-WBVHZDCISA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419234714 209037558 /nfs/dbraw/zinc/03/75/58/209037558.db2.gz XYCNGUBEMDOYAE-VNQPRFMTSA-N 1 3 336.480 0.481 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000417748304 285321446 /nfs/dbraw/zinc/32/14/46/285321446.db2.gz KEIYZVCSDRUWJM-BRWVUGGUSA-N 1 3 339.528 0.947 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000419368451 209070825 /nfs/dbraw/zinc/07/08/25/209070825.db2.gz FWIUXKJKSBMBIX-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])Cc1ccccc1 ZINC000419371432 209071203 /nfs/dbraw/zinc/07/12/03/209071203.db2.gz KSLSJUWFJOFDCT-INIZCTEOSA-N 1 3 348.491 0.909 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)N1CCN(C)CC1 ZINC000333921653 297155578 /nfs/dbraw/zinc/15/55/78/297155578.db2.gz QVBJYCQOLHFZOK-PMPSAXMXSA-N 1 3 325.501 0.650 20 0 ECADHO COc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc2c1OCO2 ZINC000261667509 165226005 /nfs/dbraw/zinc/22/60/05/165226005.db2.gz LILSPMFDPBMKOP-CYBMUJFWSA-N 1 3 335.404 0.711 20 0 ECADHO NS(=O)(=O)c1ccc(OCCN2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261808502 165245505 /nfs/dbraw/zinc/24/55/05/165245505.db2.gz GFHIFXRNQIGUBX-DAXOMENPSA-N 1 3 339.461 0.772 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN2CCNC[C@H]2c2nccn2C)CC1 ZINC000261815249 165247874 /nfs/dbraw/zinc/24/78/74/165247874.db2.gz TUAPATTVXDJELW-INIZCTEOSA-N 1 3 348.495 0.355 20 0 ECADHO Cc1ccccc1CN1CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000261913032 165261690 /nfs/dbraw/zinc/26/16/90/165261690.db2.gz YKMUKKWWFWDAKO-UHFFFAOYSA-N 1 3 330.476 0.935 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000262330186 165330784 /nfs/dbraw/zinc/33/07/84/165330784.db2.gz FGHDUICRPSRBQB-INIZCTEOSA-N 1 3 340.512 0.392 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262328859 165331255 /nfs/dbraw/zinc/33/12/55/165331255.db2.gz DSLIGKGXDYHQLK-HZPDHXFCSA-N 1 3 346.431 0.174 20 0 ECADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)C[C@@H](C)O1 ZINC000262520593 165359258 /nfs/dbraw/zinc/35/92/58/165359258.db2.gz NTZGVXKOQPINDR-SRABZTEZSA-N 1 3 339.480 0.447 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@H]1CN ZINC000423742033 287324172 /nfs/dbraw/zinc/32/41/72/287324172.db2.gz UCYPNOUYAGVOCX-FPCVCCKLSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@H]1CN ZINC000423742033 287324176 /nfs/dbraw/zinc/32/41/76/287324176.db2.gz UCYPNOUYAGVOCX-FPCVCCKLSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1CN ZINC000419772477 287325472 /nfs/dbraw/zinc/32/54/72/287325472.db2.gz HXEITPNSTLSXBV-CZUORRHYSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC2CC[NH+](CC3CC3)CC2)CC1=O ZINC000174072227 263149652 /nfs/dbraw/zinc/14/96/52/263149652.db2.gz QYRNVLFAPJIXJA-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H](Cn1cccn1)NCC1(C[NH2+][C@@H](C)Cn2cccn2)COC1 ZINC000270808575 263274190 /nfs/dbraw/zinc/27/41/90/263274190.db2.gz OZSYQPHVAXZYPQ-IYBDPMFKSA-N 1 3 332.452 0.753 20 0 ECADHO C[C@H](Cn1cccn1)[NH2+]CC1(CN[C@@H](C)Cn2cccn2)COC1 ZINC000270808575 263274192 /nfs/dbraw/zinc/27/41/92/263274192.db2.gz OZSYQPHVAXZYPQ-IYBDPMFKSA-N 1 3 332.452 0.753 20 0 ECADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccnn1CCN(C)C ZINC000297594689 265163194 /nfs/dbraw/zinc/16/31/94/265163194.db2.gz ZLGYFLGBHUVKRN-AWEZNQCLSA-N 1 3 340.472 0.923 20 0 ECADHO CC1[C@@H](C(=O)N2CC[C@@H](N(C)C)C2)[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000449845263 275943395 /nfs/dbraw/zinc/94/33/95/275943395.db2.gz ZOQRTCRHPSONNI-KLHDSHLOSA-N 1 3 336.480 0.194 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000417013692 277115905 /nfs/dbraw/zinc/11/59/05/277115905.db2.gz CKJVIXZTQRMWCW-GOSISDBHSA-N 1 3 345.491 0.638 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340206667 437598161 /nfs/dbraw/zinc/59/81/61/437598161.db2.gz OYWZRHSXLPVCKY-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340206667 437598164 /nfs/dbraw/zinc/59/81/64/437598164.db2.gz OYWZRHSXLPVCKY-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1CCC(C)CC1 ZINC000419376859 277738049 /nfs/dbraw/zinc/73/80/49/277738049.db2.gz UCOOOBKPMSPCBF-OAHLLOKOSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419097347 278187641 /nfs/dbraw/zinc/18/76/41/278187641.db2.gz DTNSVVJFIQSNNK-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419018066 279135973 /nfs/dbraw/zinc/13/59/73/279135973.db2.gz BLNWTNVQZDDZOJ-QKPAOTATSA-N 1 3 340.512 0.959 20 0 ECADHO C[C@@](C[NH3+])(NCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000430588080 279148703 /nfs/dbraw/zinc/14/87/03/279148703.db2.gz BVGSVNGWZHRNAL-SFHVURJKSA-N 1 3 331.464 0.837 20 0 ECADHO CC[N@H+](CCNC(=O)NCCN1CCN(C)C(C)(C)C1)C1CC1 ZINC000440992205 279198411 /nfs/dbraw/zinc/19/84/11/279198411.db2.gz YNPCGIZINSTTNL-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO CC[N@@H+](CCNC(=O)NCCN1CCN(C)C(C)(C)C1)C1CC1 ZINC000440992205 279198413 /nfs/dbraw/zinc/19/84/13/279198413.db2.gz YNPCGIZINSTTNL-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424518754 280097316 /nfs/dbraw/zinc/09/73/16/280097316.db2.gz IQYRGPPRQHKDGO-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)N1CCN(C)CC1 ZINC000185113258 280241282 /nfs/dbraw/zinc/24/12/82/280241282.db2.gz CMKPLSKNAXKADY-KRWDZBQOSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000185113258 280241286 /nfs/dbraw/zinc/24/12/86/280241286.db2.gz CMKPLSKNAXKADY-KRWDZBQOSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000423617134 280277082 /nfs/dbraw/zinc/27/70/82/280277082.db2.gz GKADBTHSKQGEPV-QAPCUYQASA-N 1 3 338.496 0.763 20 0 ECADHO CN(CCC[N@H+](C)CC1(O)CCOCC1)CC1(O)CCOCC1 ZINC000189778986 437611452 /nfs/dbraw/zinc/61/14/52/437611452.db2.gz VPTAXNLHAQBCJL-UHFFFAOYSA-N 1 3 330.469 0.323 20 0 ECADHO CN(CCC[N@@H+](C)CC1(O)CCOCC1)CC1(O)CCOCC1 ZINC000189778986 437611455 /nfs/dbraw/zinc/61/14/55/437611455.db2.gz VPTAXNLHAQBCJL-UHFFFAOYSA-N 1 3 330.469 0.323 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419887260 289134663 /nfs/dbraw/zinc/13/46/63/289134663.db2.gz DFHYDJUDOIFYMB-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182342408 289153756 /nfs/dbraw/zinc/15/37/56/289153756.db2.gz AGMRQANXCJVYMQ-HZPDHXFCSA-N 1 3 331.526 0.958 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CCSC1 ZINC000262327733 289340816 /nfs/dbraw/zinc/34/08/16/289340816.db2.gz RYYSVKHXPWWABZ-OAHLLOKOSA-N 1 3 337.493 0.515 20 0 ECADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000420209351 295258629 /nfs/dbraw/zinc/25/86/29/295258629.db2.gz RTGRYKXCIYQFKM-OWCLPIDISA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000420209352 295258649 /nfs/dbraw/zinc/25/86/49/295258649.db2.gz RTGRYKXCIYQFKM-PMPSAXMXSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)O1 ZINC000261884862 295274884 /nfs/dbraw/zinc/27/48/84/295274884.db2.gz UYUXRJFWSQTEIL-KGLIPLIRSA-N 1 3 327.494 0.971 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333399032 297131023 /nfs/dbraw/zinc/13/10/23/297131023.db2.gz YMSIGWQKHRQYIW-AWEZNQCLSA-N 1 3 347.467 0.692 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333399032 297131026 /nfs/dbraw/zinc/13/10/26/297131026.db2.gz YMSIGWQKHRQYIW-AWEZNQCLSA-N 1 3 347.467 0.692 20 0 ECADHO CC(C)[C@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)N1CCN(C)CC1 ZINC000333887928 297154359 /nfs/dbraw/zinc/15/43/59/297154359.db2.gz GIBAKEBJIFULOZ-OAGGEKHMSA-N 1 3 325.501 0.650 20 0 ECADHO CC(C)[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)N1CCN(C)CC1 ZINC000333887928 297154361 /nfs/dbraw/zinc/15/43/61/297154361.db2.gz GIBAKEBJIFULOZ-OAGGEKHMSA-N 1 3 325.501 0.650 20 0 ECADHO CC(C)[NH+](CCCNC(=O)C(=O)NC1CCN(C)CC1)C(C)C ZINC000339634441 297366751 /nfs/dbraw/zinc/36/67/51/297366751.db2.gz VFPYTJZOZIFDCV-UHFFFAOYSA-N 1 3 326.485 0.822 20 0 ECADHO NC(=O)N1CCC([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000343953060 297963321 /nfs/dbraw/zinc/96/33/21/297963321.db2.gz MXRDGLXHJUXJMF-UHFFFAOYSA-N 1 3 346.479 0.726 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000346293819 298252082 /nfs/dbraw/zinc/25/20/82/298252082.db2.gz KOMHIHLOICEXKT-QGZVFWFLSA-N 1 3 338.496 0.195 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000346531723 298287517 /nfs/dbraw/zinc/28/75/17/298287517.db2.gz FREKLAPQELNUHQ-HEHGZKQESA-N 1 3 334.464 0.352 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000346531723 298287521 /nfs/dbraw/zinc/28/75/21/298287521.db2.gz FREKLAPQELNUHQ-HEHGZKQESA-N 1 3 334.464 0.352 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000346550508 298291976 /nfs/dbraw/zinc/29/19/76/298291976.db2.gz WAXFWUYSNIMZSA-OIISXLGYSA-N 1 3 348.491 0.672 20 0 ECADHO CN1CCN(c2ncc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn2)CC1 ZINC000346853521 298354461 /nfs/dbraw/zinc/35/44/61/298354461.db2.gz SULKLZKWZHERLH-GVDBMIGSSA-N 1 3 330.480 0.788 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000351026425 298747968 /nfs/dbraw/zinc/74/79/68/298747968.db2.gz VXVUPTWFRFERJF-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000351926757 298856487 /nfs/dbraw/zinc/85/64/87/298856487.db2.gz LGWYYMFKPKMFNB-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C1CCN([C@@H]2COC[C@@H]2O)CC1 ZINC000361323742 300082914 /nfs/dbraw/zinc/08/29/14/300082914.db2.gz ITKQOTAUGPJIEV-SJORKVTESA-N 1 3 339.480 0.450 20 0 ECADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@]1(F)CC[NH2+]C1 ZINC000361717484 300118826 /nfs/dbraw/zinc/11/88/26/300118826.db2.gz DUVPSGPHINFLAK-SFHVURJKSA-N 1 3 335.423 0.961 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000361907497 300141814 /nfs/dbraw/zinc/14/18/14/300141814.db2.gz PBAKWDJDVIKSGQ-CQSZACIVSA-N 1 3 336.436 0.034 20 0 ECADHO CC[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CCN1CCOC ZINC000362563829 300199382 /nfs/dbraw/zinc/19/93/82/300199382.db2.gz DASXXABAMHHLDF-ZIAGYGMSSA-N 1 3 335.452 0.669 20 0 ECADHO CCOC(=O)[C@@](C)(O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000364427679 300356047 /nfs/dbraw/zinc/35/60/47/300356047.db2.gz BNSIPPJOUFNABT-SFHVURJKSA-N 1 3 341.496 0.650 20 0 ECADHO CCOC(=O)[C@](C)(O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000364427678 300356222 /nfs/dbraw/zinc/35/62/22/300356222.db2.gz BNSIPPJOUFNABT-GOSISDBHSA-N 1 3 341.496 0.650 20 0 ECADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000365159575 300424777 /nfs/dbraw/zinc/42/47/77/300424777.db2.gz ZCQOCZWKYONRRH-JKSUJKDBSA-N 1 3 347.415 0.911 20 0 ECADHO CN(CCN1CCCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345166 436120229 /nfs/dbraw/zinc/12/02/29/436120229.db2.gz HDBFFQUATKUOTL-HNNXBMFYSA-N 1 3 339.484 0.311 20 0 ECADHO CN(CCN1CCCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345166 436120235 /nfs/dbraw/zinc/12/02/35/436120235.db2.gz HDBFFQUATKUOTL-HNNXBMFYSA-N 1 3 339.484 0.311 20 0 ECADHO NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000373895364 301086711 /nfs/dbraw/zinc/08/67/11/301086711.db2.gz XAAGQNMPKDAJJZ-CVEARBPZSA-N 1 3 332.448 0.750 20 0 ECADHO NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000373895364 301086712 /nfs/dbraw/zinc/08/67/12/301086712.db2.gz XAAGQNMPKDAJJZ-CVEARBPZSA-N 1 3 332.448 0.750 20 0 ECADHO CO[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000375607220 301190617 /nfs/dbraw/zinc/19/06/17/301190617.db2.gz LIRBYOZHCYHRQP-KRWDZBQOSA-N 1 3 349.479 0.782 20 0 ECADHO CN1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000376231275 301244956 /nfs/dbraw/zinc/24/49/56/301244956.db2.gz ZXBBLRKLKLSREY-AWEZNQCLSA-N 1 3 337.468 0.075 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077811121 436253902 /nfs/dbraw/zinc/25/39/02/436253902.db2.gz BUIYNRWBPBWNJN-OAHLLOKOSA-N 1 3 326.485 0.863 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077811121 436253908 /nfs/dbraw/zinc/25/39/08/436253908.db2.gz BUIYNRWBPBWNJN-OAHLLOKOSA-N 1 3 326.485 0.863 20 0 ECADHO COc1cnccc1N1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000515341992 301637458 /nfs/dbraw/zinc/63/74/58/301637458.db2.gz HVMCIAQDKSQTOK-AWEZNQCLSA-N 1 3 333.436 0.921 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)nn1 ZINC000529346890 301941690 /nfs/dbraw/zinc/94/16/90/301941690.db2.gz ATEIWAXXJKJULM-ZIAGYGMSSA-N 1 3 333.440 0.368 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCCN1CCN(C)CC1 ZINC000531011639 302038673 /nfs/dbraw/zinc/03/86/73/302038673.db2.gz ZGJZRRZTMICPHT-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCCN1CCN(C)CC1 ZINC000531011639 302038675 /nfs/dbraw/zinc/03/86/75/302038675.db2.gz ZGJZRRZTMICPHT-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCCCC1 ZINC000534992643 302114700 /nfs/dbraw/zinc/11/47/00/302114700.db2.gz ZXEXMRWMJMUJEM-UHFFFAOYSA-N 1 3 341.500 0.524 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[NH+]1CCC(C)CC1 ZINC000114182132 436640077 /nfs/dbraw/zinc/64/00/77/436640077.db2.gz YKDGPYJXWKDPFS-CVEARBPZSA-N 1 3 338.496 0.633 20 0 ECADHO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000536569657 302140868 /nfs/dbraw/zinc/14/08/68/302140868.db2.gz SXVVAIZBSNQEDJ-KBPBESRZSA-N 1 3 327.473 0.036 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C ZINC000548813330 302328383 /nfs/dbraw/zinc/32/83/83/302328383.db2.gz LVSBVNPRESJYCW-PMPSAXMXSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551720015 302361238 /nfs/dbraw/zinc/36/12/38/302361238.db2.gz SOHUIENFTFHJIF-CVEARBPZSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC[NH2+]C1 ZINC000269314239 436657661 /nfs/dbraw/zinc/65/76/61/436657661.db2.gz YLLGJFADUZXRQY-GOSISDBHSA-N 1 3 331.464 0.710 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000269314410 436658920 /nfs/dbraw/zinc/65/89/20/436658920.db2.gz YQEQWNRXQDTEPF-INIZCTEOSA-N 1 3 331.464 0.710 20 0 ECADHO CN(C)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)Cc1ccccc1 ZINC000120334128 436684345 /nfs/dbraw/zinc/68/43/45/436684345.db2.gz KQDVKLXBAKYVDQ-SJLPKXTDSA-N 1 3 336.480 0.771 20 0 ECADHO CC[N@H+](CCCC1CCN([C@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC000245726822 436765959 /nfs/dbraw/zinc/76/59/59/436765959.db2.gz IQFLTNUOGMSBIU-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO CC[N@@H+](CCCC1CCN([C@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC000245726822 436765961 /nfs/dbraw/zinc/76/59/61/436765961.db2.gz IQFLTNUOGMSBIU-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)N(C)C)[C@@H](C)C1)[NH+](C)C ZINC000152090161 436718888 /nfs/dbraw/zinc/71/88/88/436718888.db2.gz JGKMIXGJORFNND-ZNMIVQPWSA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H](C)C1)N(C)C ZINC000152090161 436718890 /nfs/dbraw/zinc/71/88/90/436718890.db2.gz JGKMIXGJORFNND-ZNMIVQPWSA-N 1 3 326.485 0.726 20 0 ECADHO OCCO[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@@H](OCCO)C2)C1 ZINC000246815462 436785554 /nfs/dbraw/zinc/78/55/54/436785554.db2.gz OGOUBYKHXXTKNC-ZHEVZCJESA-N 1 3 342.480 0.489 20 0 ECADHO OCCO[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@@H](OCCO)C2)C1 ZINC000246815462 436785557 /nfs/dbraw/zinc/78/55/57/436785557.db2.gz OGOUBYKHXXTKNC-ZHEVZCJESA-N 1 3 342.480 0.489 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246747958 436786195 /nfs/dbraw/zinc/78/61/95/436786195.db2.gz ZPHPPCGKCBBMQM-ZACQAIPSSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000159197927 436855674 /nfs/dbraw/zinc/85/56/74/436855674.db2.gz SEZBYENISKLWLI-INIZCTEOSA-N 1 3 327.517 0.852 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000262328899 436925161 /nfs/dbraw/zinc/92/51/61/436925161.db2.gz SAHWOSKFVIOYIO-UHFFFAOYSA-N 1 3 335.448 0.999 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(N(C)C)n1 ZINC000164443970 436933601 /nfs/dbraw/zinc/93/36/01/436933601.db2.gz AKQNSUBMDUOPAP-UHFFFAOYSA-N 1 3 336.484 0.782 20 0 ECADHO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294126491 436934818 /nfs/dbraw/zinc/93/48/18/436934818.db2.gz FBPDHHRKBDDXIW-AWEZNQCLSA-N 1 3 338.477 0.922 20 0 ECADHO CCN(CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000284158161 437047762 /nfs/dbraw/zinc/04/77/62/437047762.db2.gz PRORRSYYLAAKOK-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000331484917 437102544 /nfs/dbraw/zinc/10/25/44/437102544.db2.gz IONFZZGLLDVGFF-HRCADAONSA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000331484917 437102549 /nfs/dbraw/zinc/10/25/49/437102549.db2.gz IONFZZGLLDVGFF-HRCADAONSA-N 1 3 336.480 0.563 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000331632703 437133339 /nfs/dbraw/zinc/13/33/39/437133339.db2.gz LZTKSXUXNGQUIA-KBPBESRZSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000331632703 437133340 /nfs/dbraw/zinc/13/33/40/437133340.db2.gz LZTKSXUXNGQUIA-KBPBESRZSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000331632703 437133346 /nfs/dbraw/zinc/13/33/46/437133346.db2.gz LZTKSXUXNGQUIA-KBPBESRZSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000331632706 437134167 /nfs/dbraw/zinc/13/41/67/437134167.db2.gz LZTKSXUXNGQUIA-KGLIPLIRSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000331632706 437134180 /nfs/dbraw/zinc/13/41/80/437134180.db2.gz LZTKSXUXNGQUIA-KGLIPLIRSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000331632706 437134183 /nfs/dbraw/zinc/13/41/83/437134183.db2.gz LZTKSXUXNGQUIA-KGLIPLIRSA-N 1 3 340.468 0.158 20 0 ECADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000177502672 437188557 /nfs/dbraw/zinc/18/85/57/437188557.db2.gz WATCUVCYLJYZLN-KBPBESRZSA-N 1 3 340.468 0.783 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1=CCN(C)CC1 ZINC000332053332 437202134 /nfs/dbraw/zinc/20/21/34/437202134.db2.gz UUXHGVRBAQILTQ-UAGQMJEPSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1=CCN(C)CC1 ZINC000332053332 437202136 /nfs/dbraw/zinc/20/21/36/437202136.db2.gz UUXHGVRBAQILTQ-UAGQMJEPSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@@H]1C[NH3+] ZINC000332672348 437243043 /nfs/dbraw/zinc/24/30/43/437243043.db2.gz PTRCMIZGHSPPBK-PMPSAXMXSA-N 1 3 336.480 0.517 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179318708 437258993 /nfs/dbraw/zinc/25/89/93/437258993.db2.gz WXYTXMUSKYTIRM-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000289491673 437415491 /nfs/dbraw/zinc/41/54/91/437415491.db2.gz ABWIHTNWKPCKPE-SJORKVTESA-N 1 3 346.475 0.982 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000339631486 437480958 /nfs/dbraw/zinc/48/09/58/437480958.db2.gz JVHOPDCCACTVFC-GDBMZVCRSA-N 1 3 338.496 0.774 20 0 ECADHO CCS(=O)(=O)NCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339661166 437485656 /nfs/dbraw/zinc/48/56/56/437485656.db2.gz SNLQHCSVOQDPLF-XYPWUTKMSA-N 1 3 347.525 0.889 20 0 ECADHO CCS(=O)(=O)NCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339661166 437485660 /nfs/dbraw/zinc/48/56/60/437485660.db2.gz SNLQHCSVOQDPLF-XYPWUTKMSA-N 1 3 347.525 0.889 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000185812149 437451021 /nfs/dbraw/zinc/45/10/21/437451021.db2.gz CITMHBXCZTYHHO-HZPDHXFCSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000185812149 437451024 /nfs/dbraw/zinc/45/10/24/437451024.db2.gz CITMHBXCZTYHHO-HZPDHXFCSA-N 1 3 337.512 0.796 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339963405 437528026 /nfs/dbraw/zinc/52/80/26/437528026.db2.gz SZTBMZVUJXITKO-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@]1(N)C[C@H](OCC)C1(C)C ZINC000188254030 437536469 /nfs/dbraw/zinc/53/64/69/437536469.db2.gz ADGDSZPLVYLYBO-KEYYUXOJSA-N 1 3 329.485 0.992 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000360162736 437540313 /nfs/dbraw/zinc/54/03/13/437540313.db2.gz MMBRPOBTBPFVHP-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000360162736 437540320 /nfs/dbraw/zinc/54/03/20/437540320.db2.gz MMBRPOBTBPFVHP-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000360170571 437543503 /nfs/dbraw/zinc/54/35/03/437543503.db2.gz JXKJGERZZZXFQG-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000360170571 437543507 /nfs/dbraw/zinc/54/35/07/437543507.db2.gz JXKJGERZZZXFQG-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000360171334 437545011 /nfs/dbraw/zinc/54/50/11/437545011.db2.gz NWTFFVLYIIUBRE-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000360171334 437545015 /nfs/dbraw/zinc/54/50/15/437545015.db2.gz NWTFFVLYIIUBRE-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000343291744 437547281 /nfs/dbraw/zinc/54/72/81/437547281.db2.gz CJMKEIMQDUOGLK-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(F)cc1 ZINC000360206864 437556229 /nfs/dbraw/zinc/55/62/29/437556229.db2.gz CKFGHPAPSKNDBK-IAGOWNOFSA-N 1 3 334.439 0.935 20 0 ECADHO CN(C)C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccc(F)cc1 ZINC000360206864 437556235 /nfs/dbraw/zinc/55/62/35/437556235.db2.gz CKFGHPAPSKNDBK-IAGOWNOFSA-N 1 3 334.439 0.935 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000343686021 437627111 /nfs/dbraw/zinc/62/71/11/437627111.db2.gz IYUAIYBUBUKLBK-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000343686021 437627117 /nfs/dbraw/zinc/62/71/17/437627117.db2.gz IYUAIYBUBUKLBK-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340445117 437647145 /nfs/dbraw/zinc/64/71/45/437647145.db2.gz KKIMLJCFMZWDRY-INIZCTEOSA-N 1 3 344.525 0.340 20 0 ECADHO CCN(C)CCNC(=O)c1ccc(C(=O)NCC[N@H+](C)CC)cn1 ZINC000292036451 437651111 /nfs/dbraw/zinc/65/11/11/437651111.db2.gz XHLUQZCRHMSXCK-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO CCN(C)CCNC(=O)c1ccc(C(=O)NCC[N@@H+](C)CC)cn1 ZINC000292036451 437651117 /nfs/dbraw/zinc/65/11/17/437651117.db2.gz XHLUQZCRHMSXCK-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO CCN(C)CCNC(=O)c1ccc(C(=O)NCC[N@H+](C)CC)nc1 ZINC000292036451 437651121 /nfs/dbraw/zinc/65/11/21/437651121.db2.gz XHLUQZCRHMSXCK-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO CCN(C)CCNC(=O)c1ccc(C(=O)NCC[N@@H+](C)CC)nc1 ZINC000292036451 437651125 /nfs/dbraw/zinc/65/11/25/437651125.db2.gz XHLUQZCRHMSXCK-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340479988 437660508 /nfs/dbraw/zinc/66/05/08/437660508.db2.gz JAIYOHFPIRCFSF-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340479988 437660511 /nfs/dbraw/zinc/66/05/11/437660511.db2.gz JAIYOHFPIRCFSF-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CN(CCC(=O)N2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343924369 437698954 /nfs/dbraw/zinc/69/89/54/437698954.db2.gz NPVOVHAYSRAFPI-IAGOWNOFSA-N 1 3 338.496 0.193 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000415272556 437771566 /nfs/dbraw/zinc/77/15/66/437771566.db2.gz UBGFUNAICBIKLJ-ZDUSSCGKSA-N 1 3 334.420 0.515 20 0 ECADHO C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccn1 ZINC000362434029 437738809 /nfs/dbraw/zinc/73/88/09/437738809.db2.gz RAYNVLVAZTXBAK-HOTGVXAUSA-N 1 3 348.447 0.615 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000356515973 437773945 /nfs/dbraw/zinc/77/39/45/437773945.db2.gz FYZOIEICJMOWOL-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000356515973 437773951 /nfs/dbraw/zinc/77/39/51/437773951.db2.gz FYZOIEICJMOWOL-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000362884111 437759634 /nfs/dbraw/zinc/75/96/34/437759634.db2.gz HHNANDWAHYJJMZ-HRCADAONSA-N 1 3 346.479 1.393 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000362884111 437759636 /nfs/dbraw/zinc/75/96/36/437759636.db2.gz HHNANDWAHYJJMZ-HRCADAONSA-N 1 3 346.479 1.393 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415536308 437816422 /nfs/dbraw/zinc/81/64/22/437816422.db2.gz FBCQADSBGJQEGZ-KGLIPLIRSA-N 1 3 332.448 0.925 20 0 ECADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H]1CC[NH2+]C1 ZINC000423747031 437823906 /nfs/dbraw/zinc/82/39/06/437823906.db2.gz OOUVOGOTLGAFSQ-GJZGRUSLSA-N 1 3 325.453 0.862 20 0 ECADHO CC(C)CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000423755392 437824982 /nfs/dbraw/zinc/82/49/82/437824982.db2.gz DWCYHUPRWMNQBW-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c(OCCN(C)C)c1 ZINC000415444804 437804437 /nfs/dbraw/zinc/80/44/37/437804437.db2.gz DRBNRRFYBXYLLL-HNNXBMFYSA-N 1 3 348.447 0.727 20 0 ECADHO C[NH+](C)CC1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000341182862 437809822 /nfs/dbraw/zinc/80/98/22/437809822.db2.gz GYXVYYMQXFOPMU-OAHLLOKOSA-N 1 3 345.443 0.917 20 0 ECADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])ccc1OCCN(C)C ZINC000415512783 437814706 /nfs/dbraw/zinc/81/47/06/437814706.db2.gz VCGHVNLJWZWHCP-LBPRGKRZSA-N 1 3 336.436 0.585 20 0 ECADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000423989833 437870005 /nfs/dbraw/zinc/87/00/05/437870005.db2.gz IWIDWYYCSAPERL-SFHVURJKSA-N 1 3 346.475 0.612 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)C[C@H]1[NH3+] ZINC000415851529 437870195 /nfs/dbraw/zinc/87/01/95/437870195.db2.gz ZGTHXHSAQMPAGD-IUODEOHRSA-N 1 3 334.420 0.371 20 0 ECADHO [NH3+]C[C@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)CCCO1 ZINC000424019248 437879165 /nfs/dbraw/zinc/87/91/65/437879165.db2.gz JQUWCLCJENKPMG-HNNXBMFYSA-N 1 3 325.453 0.598 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415605016 437830559 /nfs/dbraw/zinc/83/05/59/437830559.db2.gz NNZZAZFCTUSPSV-AWEZNQCLSA-N 1 3 334.420 0.181 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415622324 437834105 /nfs/dbraw/zinc/83/41/05/437834105.db2.gz XQLDODWVJADBMM-CZUORRHYSA-N 1 3 332.448 0.843 20 0 ECADHO COCC[C@]1(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC[NH2+]C1 ZINC000370775064 437835451 /nfs/dbraw/zinc/83/54/51/437835451.db2.gz UTJUMYZAUTYPAZ-DOTOQJQBSA-N 1 3 326.485 0.002 20 0 ECADHO CCN1CCN(CCCNC(=O)[C@]2(CCOC)CC[NH2+]C2)CC1 ZINC000370779001 437837929 /nfs/dbraw/zinc/83/79/29/437837929.db2.gz JOECUAUUEUOCLK-KRWDZBQOSA-N 1 3 326.485 0.146 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c1 ZINC000415785459 437859844 /nfs/dbraw/zinc/85/98/44/437859844.db2.gz HBTHZUMOVRDTBH-UHFFFAOYSA-N 1 3 334.420 0.514 20 0 ECADHO C[C@@H]1CC2(CN1CC(=O)NCCCN1CCCC1=O)CC[NH2+]CC2 ZINC000424287670 437921923 /nfs/dbraw/zinc/92/19/23/437921923.db2.gz JMFLTCFDGWRBOP-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO CN(C)CCNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416021490 437886654 /nfs/dbraw/zinc/88/66/54/437886654.db2.gz DGWTVNANCSPUFH-UHFFFAOYSA-N 1 3 335.452 0.654 20 0 ECADHO C[NH2+]C[C@H](C)C(=O)NCc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000371272005 437907148 /nfs/dbraw/zinc/90/71/48/437907148.db2.gz YOWXNVICDLJQCO-ZDUSSCGKSA-N 1 3 336.484 0.342 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](NC)c2cnn(C)c2)CC1 ZINC000357247849 437945321 /nfs/dbraw/zinc/94/53/21/437945321.db2.gz QHMZLTJZNLBDPC-GDBMZVCRSA-N 1 3 336.484 0.070 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342031701 437947090 /nfs/dbraw/zinc/94/70/90/437947090.db2.gz GSWHVVRDZNFPMO-FVQBIDKESA-N 1 3 336.480 0.576 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342031701 437947098 /nfs/dbraw/zinc/94/70/98/437947098.db2.gz GSWHVVRDZNFPMO-FVQBIDKESA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000342039909 437948831 /nfs/dbraw/zinc/94/88/31/437948831.db2.gz OWQPLLFMYNGSCY-GOEBONIOSA-N 1 3 336.480 0.744 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000342039909 437948834 /nfs/dbraw/zinc/94/88/34/437948834.db2.gz OWQPLLFMYNGSCY-GOEBONIOSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)N(C)C1CC1)C(C)(C)C[NH+](C)C ZINC000341992400 437935802 /nfs/dbraw/zinc/93/58/02/437935802.db2.gz IYDLYSMOOPNRBL-QWHCGFSZSA-N 1 3 326.485 0.678 20 0 ECADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)N[C@H]1CC[NH2+]C1 ZINC000417012777 438013722 /nfs/dbraw/zinc/01/37/22/438013722.db2.gz AWJPFLSJSIAHIN-SFHVURJKSA-N 1 3 345.491 0.855 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)NCC3C[NH2+]C3)cc2)CC1 ZINC000416998518 438014330 /nfs/dbraw/zinc/01/43/30/438014330.db2.gz WXVIVVYSMXCHGT-UHFFFAOYSA-N 1 3 345.491 0.843 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000372100856 438034009 /nfs/dbraw/zinc/03/40/09/438034009.db2.gz FMFOPVNSRIBMIO-OAHLLOKOSA-N 1 3 330.476 0.625 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000417456388 438050911 /nfs/dbraw/zinc/05/09/11/438050911.db2.gz BQJQKIYLFSYKQC-INIZCTEOSA-N 1 3 347.463 0.529 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417383823 438046280 /nfs/dbraw/zinc/04/62/80/438046280.db2.gz KUBDUVWPAFSAOL-KRWDZBQOSA-N 1 3 348.495 0.876 20 0 ECADHO CN1CCN(C(=O)CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000365999132 438001110 /nfs/dbraw/zinc/00/11/10/438001110.db2.gz JHMOHQVOMNEKQP-KRWDZBQOSA-N 1 3 342.459 0.479 20 0 ECADHO CN1CCN(C(=O)CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000365999135 438003141 /nfs/dbraw/zinc/00/31/41/438003141.db2.gz JHMOHQVOMNEKQP-QGZVFWFLSA-N 1 3 342.459 0.479 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000416980482 438011323 /nfs/dbraw/zinc/01/13/23/438011323.db2.gz UJXDOUOACWJAJH-CABCVRRESA-N 1 3 325.501 0.829 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCCN1C ZINC000418002789 438099075 /nfs/dbraw/zinc/09/90/75/438099075.db2.gz MLKULEPNJGLEHN-KFWWJZLASA-N 1 3 339.484 0.498 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417474097 438054464 /nfs/dbraw/zinc/05/44/64/438054464.db2.gz MDGDGHBYPFUAFC-CQSZACIVSA-N 1 3 349.479 0.633 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417479977 438057733 /nfs/dbraw/zinc/05/77/33/438057733.db2.gz UTYPKSFZAYBXEZ-HNNXBMFYSA-N 1 3 335.452 0.515 20 0 ECADHO COCCN(C)CCNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000357756965 438061493 /nfs/dbraw/zinc/06/14/93/438061493.db2.gz FYSLBZNBROPLQS-UHFFFAOYSA-N 1 3 332.514 0.691 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427308314 438078567 /nfs/dbraw/zinc/07/85/67/438078567.db2.gz LBCIIXGKTFFSOE-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000372842782 438113221 /nfs/dbraw/zinc/11/32/21/438113221.db2.gz QJPYPIKLHMFHDL-QGZVFWFLSA-N 1 3 338.496 0.382 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CCSC1 ZINC000430674992 438119448 /nfs/dbraw/zinc/11/94/48/438119448.db2.gz LHWDKNRWTDICIE-OAHLLOKOSA-N 1 3 338.481 0.370 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1(C)C ZINC000373019267 438126259 /nfs/dbraw/zinc/12/62/59/438126259.db2.gz CXDVCJGKIILXGB-JKSUJKDBSA-N 1 3 337.512 0.748 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1(C)C ZINC000373019267 438126264 /nfs/dbraw/zinc/12/62/64/438126264.db2.gz CXDVCJGKIILXGB-JKSUJKDBSA-N 1 3 337.512 0.748 20 0 ECADHO [NH3+]CCNC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418306744 438129553 /nfs/dbraw/zinc/12/95/53/438129553.db2.gz RNTSSUJMHRSRQY-QGZVFWFLSA-N 1 3 331.464 0.547 20 0 ECADHO CN1CCN(c2ncc(CN3CCC4(CC[NH2+]C4)CC3)cn2)CC1 ZINC000430913664 438129729 /nfs/dbraw/zinc/12/97/29/438129729.db2.gz XDJJLYUOPHVWTA-UHFFFAOYSA-N 1 3 330.480 0.804 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H](C)C[NH2+]C ZINC000418375080 438138724 /nfs/dbraw/zinc/13/87/24/438138724.db2.gz WTIARSKQGSSLSV-MRXNPFEDSA-N 1 3 327.517 0.901 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418365717 438136001 /nfs/dbraw/zinc/13/60/01/438136001.db2.gz FBQGCPVXQNBUTE-GJZGRUSLSA-N 1 3 325.501 0.652 20 0 ECADHO [NH3+]C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000418477724 438148341 /nfs/dbraw/zinc/14/83/41/438148341.db2.gz UTQJEWBPWKSIOQ-SQNIBIBYSA-N 1 3 346.475 0.906 20 0 ECADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418713088 438179181 /nfs/dbraw/zinc/17/91/81/438179181.db2.gz WQPVBOFPWJTUQA-HNNXBMFYSA-N 1 3 339.484 0.454 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])C1)C(=O)NCCN(C)C ZINC000418770115 438185549 /nfs/dbraw/zinc/18/55/49/438185549.db2.gz QMWQZNQRXZOJJG-KKUMJFAQSA-N 1 3 341.500 0.506 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)CN2CCCC2=O)[C@H](C)C1 ZINC000358239758 438189008 /nfs/dbraw/zinc/18/90/08/438189008.db2.gz YXZNZLJSLMNVSH-IKGGRYGDSA-N 1 3 341.496 0.696 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)CN2CCCC2=O)[C@H](C)C1 ZINC000358239758 438189013 /nfs/dbraw/zinc/18/90/13/438189013.db2.gz YXZNZLJSLMNVSH-IKGGRYGDSA-N 1 3 341.496 0.696 20 0 ECADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CN3CCN2CCC3)o1 ZINC000367019763 438154391 /nfs/dbraw/zinc/15/43/91/438154391.db2.gz JUJIWNJQOCFVHQ-QGZVFWFLSA-N 1 3 334.464 0.868 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)NCC1([NH3+])CCC1 ZINC000418518926 438155394 /nfs/dbraw/zinc/15/53/94/438155394.db2.gz MTKPRHDDBHZFFL-UHFFFAOYSA-N 1 3 325.501 0.927 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000418528342 438157381 /nfs/dbraw/zinc/15/73/81/438157381.db2.gz RHJZNRCKAGUTHF-OAHLLOKOSA-N 1 3 326.485 0.768 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C(=O)NCCN(C)C ZINC000418571273 438160097 /nfs/dbraw/zinc/16/00/97/438160097.db2.gz RHQWOROYBZQNIN-KFWWJZLASA-N 1 3 341.500 0.648 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)Cc1ccccc1 ZINC000418848517 438214541 /nfs/dbraw/zinc/21/45/41/438214541.db2.gz LMYXPEVLHJHSEO-IRXDYDNUSA-N 1 3 346.475 0.534 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418849799 438217250 /nfs/dbraw/zinc/21/72/50/438217250.db2.gz DJVJTRIZUCOMCR-CVEARBPZSA-N 1 3 332.448 0.144 20 0 ECADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)NC(C)(C)C ZINC000358405775 438219164 /nfs/dbraw/zinc/21/91/64/438219164.db2.gz DVVICPDBVSIURE-OAHLLOKOSA-N 1 3 328.501 0.269 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418856953 438220256 /nfs/dbraw/zinc/22/02/56/438220256.db2.gz XXXNRPPAPZIATL-GDBMZVCRSA-N 1 3 334.464 0.390 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418856954 438220500 /nfs/dbraw/zinc/22/05/00/438220500.db2.gz XXXNRPPAPZIATL-ZBFHGGJFSA-N 1 3 334.464 0.390 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000418858293 438220842 /nfs/dbraw/zinc/22/08/42/438220842.db2.gz JAOLKCFNWQTQOY-HOTGVXAUSA-N 1 3 332.448 0.745 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000418882131 438235047 /nfs/dbraw/zinc/23/50/47/438235047.db2.gz YIMKKMUMBPNMCE-OFLPRAFFSA-N 1 3 346.475 0.662 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000350963536 438242570 /nfs/dbraw/zinc/24/25/70/438242570.db2.gz BHBLAGBMVFMCLJ-AWEZNQCLSA-N 1 3 326.485 0.776 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433399320 438245484 /nfs/dbraw/zinc/24/54/84/438245484.db2.gz NZPLMLWVNNCGGG-HOTGVXAUSA-N 1 3 342.484 0.507 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433399320 438245489 /nfs/dbraw/zinc/24/54/89/438245489.db2.gz NZPLMLWVNNCGGG-HOTGVXAUSA-N 1 3 342.484 0.507 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433400181 438245799 /nfs/dbraw/zinc/24/57/99/438245799.db2.gz RUAFXHHECRNRET-KFWWJZLASA-N 1 3 332.452 0.901 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418814574 438199314 /nfs/dbraw/zinc/19/93/14/438199314.db2.gz JXZQHRAGRLDZKW-KDOFPFPSSA-N 1 3 332.448 0.621 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000418826543 438202364 /nfs/dbraw/zinc/20/23/64/438202364.db2.gz BHQYPHYQHORSGG-OFLPRAFFSA-N 1 3 346.475 0.662 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000418826530 438203413 /nfs/dbraw/zinc/20/34/13/438203413.db2.gz BHQYPHYQHORSGG-JCYILVPMSA-N 1 3 346.475 0.662 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418829293 438204034 /nfs/dbraw/zinc/20/40/34/438204034.db2.gz DLKCOEBAZZBJDS-SJORKVTESA-N 1 3 346.475 0.486 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000418842805 438211297 /nfs/dbraw/zinc/21/12/97/438211297.db2.gz BVHGYUWIDQTMSR-IRXDYDNUSA-N 1 3 346.475 0.343 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N(C)Cc1ccccc1 ZINC000418944753 438260893 /nfs/dbraw/zinc/26/08/93/438260893.db2.gz KICNEKXTLZIBCY-HLLBOEOZSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)N(C)Cc1ccccc1 ZINC000418958539 438263307 /nfs/dbraw/zinc/26/33/07/438263307.db2.gz GLMKMTNJIMNLNM-HNNXBMFYSA-N 1 3 346.475 0.820 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419029295 438296225 /nfs/dbraw/zinc/29/62/25/438296225.db2.gz RMNNCPXTKYIDKD-UONOGXRCSA-N 1 3 326.485 0.713 20 0 ECADHO CN(CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000351524036 438278389 /nfs/dbraw/zinc/27/83/89/438278389.db2.gz PQPIBPGHUZPDTI-MRXNPFEDSA-N 1 3 332.448 0.493 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419020859 438291694 /nfs/dbraw/zinc/29/16/94/438291694.db2.gz GFGRZXYWXNBMJX-XGUBFFRZSA-N 1 3 326.485 0.569 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000419025755 438292675 /nfs/dbraw/zinc/29/26/75/438292675.db2.gz MUNLVDBSTIDPHC-ARFHVFGLSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419029294 438295166 /nfs/dbraw/zinc/29/51/66/438295166.db2.gz RMNNCPXTKYIDKD-KGLIPLIRSA-N 1 3 326.485 0.713 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419029208 438295748 /nfs/dbraw/zinc/29/57/48/438295748.db2.gz RGAUETJAGBCQEQ-RRFJBIMHSA-N 1 3 326.485 0.857 20 0 ECADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000419097259 438319172 /nfs/dbraw/zinc/31/91/72/438319172.db2.gz ALRHFUSXNACEHG-MRXNPFEDSA-N 1 3 346.475 0.868 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1=O ZINC000368385224 438322777 /nfs/dbraw/zinc/32/27/77/438322777.db2.gz MQFJTUDQLPSCPO-YLFCFFPRSA-N 1 3 348.491 0.530 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351756879 438332624 /nfs/dbraw/zinc/33/26/24/438332624.db2.gz BKLIOTQFUTZERZ-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419127021 438334052 /nfs/dbraw/zinc/33/40/52/438334052.db2.gz YYDBEEADXFWRAU-QAPCUYQASA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419132260 438337240 /nfs/dbraw/zinc/33/72/40/438337240.db2.gz DTUNECKXBYWSEQ-OLZOCXBDSA-N 1 3 338.477 0.540 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000419132699 438337729 /nfs/dbraw/zinc/33/77/29/438337729.db2.gz FAERCJBVRBRAGA-OAHLLOKOSA-N 1 3 348.447 0.064 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000419034086 438298904 /nfs/dbraw/zinc/29/89/04/438298904.db2.gz ZEZMEVURKTXZJI-XFIYOXNOSA-N 1 3 338.496 0.726 20 0 ECADHO [NH3+]CCCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419142471 438345824 /nfs/dbraw/zinc/34/58/24/438345824.db2.gz YDCBCUASLPWKNV-UHFFFAOYSA-N 1 3 338.477 0.541 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419081208 438313086 /nfs/dbraw/zinc/31/30/86/438313086.db2.gz RGXIVIXLYRFKRR-HZPDHXFCSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1=CCN(C)CC1 ZINC000351677011 438316308 /nfs/dbraw/zinc/31/63/08/438316308.db2.gz WBTJAYLPXVCYGO-CWRNSKLLSA-N 1 3 336.480 0.742 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C1=CCN(C)CC1 ZINC000351677010 438316762 /nfs/dbraw/zinc/31/67/62/438316762.db2.gz WBTJAYLPXVCYGO-BPUTZDHNSA-N 1 3 336.480 0.742 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1C ZINC000351683367 438318102 /nfs/dbraw/zinc/31/81/02/438318102.db2.gz OJAINEHMTSQEMM-LVQVYYBASA-N 1 3 338.496 0.917 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000419156616 438348097 /nfs/dbraw/zinc/34/80/97/438348097.db2.gz TVJVRUGUXQZCFV-CVEARBPZSA-N 1 3 340.512 0.960 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000419156616 438348104 /nfs/dbraw/zinc/34/81/04/438348104.db2.gz TVJVRUGUXQZCFV-CVEARBPZSA-N 1 3 340.512 0.960 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419174371 438349769 /nfs/dbraw/zinc/34/97/69/438349769.db2.gz VLGSKEYRXKZLON-HRCADAONSA-N 1 3 338.496 0.953 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN([C@H]3CCSC3)CC2)CC1 ZINC000378087894 438350012 /nfs/dbraw/zinc/35/00/12/438350012.db2.gz LBUMVGRIMHVOMB-INIZCTEOSA-N 1 3 340.537 0.664 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCSC1 ZINC000419585438 438363193 /nfs/dbraw/zinc/36/31/93/438363193.db2.gz NHGAHTGQNAOPJU-ZENOOKHLSA-N 1 3 342.509 0.174 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419521870 438363668 /nfs/dbraw/zinc/36/36/68/438363668.db2.gz LDLKCKHPBKRKTM-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419648832 438365512 /nfs/dbraw/zinc/36/55/12/438365512.db2.gz BHGHIHJWWQHABE-IIAWOOMASA-N 1 3 332.448 0.619 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419850233 438374032 /nfs/dbraw/zinc/37/40/32/438374032.db2.gz KZEWGMHJPFMNPY-INIZCTEOSA-N 1 3 347.463 0.278 20 0 ECADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419997566 438381034 /nfs/dbraw/zinc/38/10/34/438381034.db2.gz KDBBLMXIQIXSFC-HOTGVXAUSA-N 1 3 336.480 0.722 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CC1=O ZINC000368814586 438381865 /nfs/dbraw/zinc/38/18/65/438381865.db2.gz UISXAUJTRXAVMS-NQNKBUKLSA-N 1 3 348.491 0.800 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420013784 438382118 /nfs/dbraw/zinc/38/21/18/438382118.db2.gz JMTGCMFMIFINEC-QXSJWSMHSA-N 1 3 338.496 0.999 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000389914590 438429306 /nfs/dbraw/zinc/42/93/06/438429306.db2.gz KOSSCLJXYJNMGK-DOTOQJQBSA-N 1 3 344.459 0.445 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000391025048 438436113 /nfs/dbraw/zinc/43/61/13/438436113.db2.gz RMYAKHAGRGKWKL-RCCFBDPRSA-N 1 3 347.459 0.771 20 0 ECADHO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328851 438398958 /nfs/dbraw/zinc/39/89/58/438398958.db2.gz NCLZOCSBCYBGIH-RBSFLKMASA-N 1 3 336.480 0.433 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC1 ZINC000359284234 438402875 /nfs/dbraw/zinc/40/28/75/438402875.db2.gz ZKQBXQYYEOYORK-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC1 ZINC000359284234 438402877 /nfs/dbraw/zinc/40/28/77/438402877.db2.gz ZKQBXQYYEOYORK-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCN([C@@H](C)CO)CC2)CC1 ZINC000368966997 438405171 /nfs/dbraw/zinc/40/51/71/438405171.db2.gz UBPTVTQISOKDEK-INIZCTEOSA-N 1 3 340.512 0.364 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000359730560 438487178 /nfs/dbraw/zinc/48/71/78/438487178.db2.gz GPFKUJBQDWRUKT-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000421541693 438491860 /nfs/dbraw/zinc/49/18/60/438491860.db2.gz BQXIAVFQKVRNIQ-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000421541693 438491863 /nfs/dbraw/zinc/49/18/63/438491863.db2.gz BQXIAVFQKVRNIQ-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000437689343 438452484 /nfs/dbraw/zinc/45/24/84/438452484.db2.gz ASJCCOLKPJHXNL-QGZVFWFLSA-N 1 3 339.480 0.593 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000437689343 438452490 /nfs/dbraw/zinc/45/24/90/438452490.db2.gz ASJCCOLKPJHXNL-QGZVFWFLSA-N 1 3 339.480 0.593 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000422112051 438520560 /nfs/dbraw/zinc/52/05/60/438520560.db2.gz YUZUMNSCSOWMHG-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000422121882 438523888 /nfs/dbraw/zinc/52/38/88/438523888.db2.gz RUFUQRQPLZGHEM-JYJNAYRXSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000422121882 438523891 /nfs/dbraw/zinc/52/38/91/438523891.db2.gz RUFUQRQPLZGHEM-JYJNAYRXSA-N 1 3 338.496 0.728 20 0 ECADHO CC[NH+]1CCC(NC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000353701222 438525459 /nfs/dbraw/zinc/52/54/59/438525459.db2.gz LCIIOJPAQXVXCP-UHFFFAOYSA-N 1 3 325.501 0.750 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353705519 438525562 /nfs/dbraw/zinc/52/55/62/438525562.db2.gz CPBDAKOOJXKPMV-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353705519 438525567 /nfs/dbraw/zinc/52/55/67/438525567.db2.gz CPBDAKOOJXKPMV-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000422126769 438525879 /nfs/dbraw/zinc/52/58/79/438525879.db2.gz BLFASGGQSUVYLT-OAHLLOKOSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000422148061 438528490 /nfs/dbraw/zinc/52/84/90/438528490.db2.gz MUWLTFSQVHOKGZ-DLBZAZTESA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000422148061 438528495 /nfs/dbraw/zinc/52/84/95/438528495.db2.gz MUWLTFSQVHOKGZ-DLBZAZTESA-N 1 3 339.528 0.994 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000422433108 438568816 /nfs/dbraw/zinc/56/88/16/438568816.db2.gz OAIALFWSJRASEE-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000422433109 438569716 /nfs/dbraw/zinc/56/97/16/438569716.db2.gz OAIALFWSJRASEE-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCN1C ZINC000440975716 438574049 /nfs/dbraw/zinc/57/40/49/438574049.db2.gz GQGXWLDBUUJASR-MRXNPFEDSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCN1C ZINC000440975716 438574051 /nfs/dbraw/zinc/57/40/51/438574051.db2.gz GQGXWLDBUUJASR-MRXNPFEDSA-N 1 3 339.528 0.994 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000410496089 438591909 /nfs/dbraw/zinc/59/19/09/438591909.db2.gz CIUGSSBFRFFHLU-UHFFFAOYSA-N 1 3 342.484 0.012 20 0 ECADHO CC(C)[C@H](CN(C)C(=O)/C=C\CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000493356398 438619894 /nfs/dbraw/zinc/61/98/94/438619894.db2.gz RGUSYYPVYKAJLN-HWBCHTOLSA-N 1 3 338.496 0.821 20 0 ECADHO CC(C)[C@H](CN(C)C(=O)/C=C\C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000493356398 438619895 /nfs/dbraw/zinc/61/98/95/438619895.db2.gz RGUSYYPVYKAJLN-HWBCHTOLSA-N 1 3 338.496 0.821 20 0 ECADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000442767349 438622092 /nfs/dbraw/zinc/62/20/92/438622092.db2.gz YLGXWTZIXAEZES-RYUDHWBXSA-N 1 3 340.449 0.332 20 0 ECADHO C[NH+](C)C1CCC(NC(=O)C(=O)N(CCN)Cc2ccccc2)CC1 ZINC000422973146 438623359 /nfs/dbraw/zinc/62/33/59/438623359.db2.gz NPJAZZPLJYYZFQ-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410720793 438642248 /nfs/dbraw/zinc/64/22/48/438642248.db2.gz UBQFVKLUKFBRMD-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@@H](N2CCCC2)C1 ZINC000423156321 438643680 /nfs/dbraw/zinc/64/36/80/438643680.db2.gz SBRJAALSNFMWSZ-APWZRJJASA-N 1 3 348.491 0.675 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[C@H]1C ZINC000410736550 438648246 /nfs/dbraw/zinc/64/82/46/438648246.db2.gz NZWUSUSLDQGMIG-OWCLPIDISA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[C@H]1C ZINC000410736550 438648250 /nfs/dbraw/zinc/64/82/50/438648250.db2.gz NZWUSUSLDQGMIG-OWCLPIDISA-N 1 3 338.496 0.870 20 0 ECADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423202784 438648402 /nfs/dbraw/zinc/64/84/02/438648402.db2.gz LGELSJRYSAWHNO-UHFFFAOYSA-N 1 3 342.390 0.272 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000410753861 438652229 /nfs/dbraw/zinc/65/22/29/438652229.db2.gz LJNGOZUTXQTORO-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000410753861 438652233 /nfs/dbraw/zinc/65/22/33/438652233.db2.gz LJNGOZUTXQTORO-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000423377691 438668144 /nfs/dbraw/zinc/66/81/44/438668144.db2.gz WDBPALVGFJTSIO-ZDUSSCGKSA-N 1 3 338.477 0.459 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000423414036 438674364 /nfs/dbraw/zinc/67/43/64/438674364.db2.gz LZUURVDVQWJGKS-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](SC)[C@@H](N(C)C)C2)CC1 ZINC000411428295 438677057 /nfs/dbraw/zinc/67/70/57/438677057.db2.gz SFBCBDZQUQJSBU-GJZGRUSLSA-N 1 3 328.526 0.564 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423496227 438680350 /nfs/dbraw/zinc/68/03/50/438680350.db2.gz GCRJZJWGTHGMFF-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000423520502 438683065 /nfs/dbraw/zinc/68/30/65/438683065.db2.gz WJEWJYUEQWOHAL-UHFFFAOYSA-N 1 3 326.485 0.633 20 0 ECADHO NCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccc(O)cc3)CC2)C1 ZINC000414663056 438714482 /nfs/dbraw/zinc/71/44/82/438714482.db2.gz APOLTGONZBXFCH-OAHLLOKOSA-N 1 3 332.448 0.712 20 0 ECADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CNCCN1CC[NH2+]CC1 ZINC000414867108 438718586 /nfs/dbraw/zinc/71/85/86/438718586.db2.gz OCDHOCCAAGTHGA-UHFFFAOYSA-N 1 3 337.468 0.446 20 0 ECADHO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C1CC1 ZINC000414868353 438719697 /nfs/dbraw/zinc/71/96/97/438719697.db2.gz AGQKWRNIMZZFKY-INIZCTEOSA-N 1 3 330.432 0.727 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000454576010 438720412 /nfs/dbraw/zinc/72/04/12/438720412.db2.gz IJNPHDYNIZJUOO-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000454576010 438720416 /nfs/dbraw/zinc/72/04/16/438720416.db2.gz IJNPHDYNIZJUOO-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H](CNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000454627672 438723879 /nfs/dbraw/zinc/72/38/79/438723879.db2.gz UNWIVCQXKOQZCW-OAGGEKHMSA-N 1 3 325.501 0.604 20 0 ECADHO C[N@H+](C[C@H](O)CN[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000574917242 438728249 /nfs/dbraw/zinc/72/82/49/438728249.db2.gz YSMXHDFGMGPVMZ-SXLOBPIMSA-N 1 3 347.503 0.914 20 0 ECADHO C[N@@H+](C[C@H](O)CN[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000574917242 438728252 /nfs/dbraw/zinc/72/82/52/438728252.db2.gz YSMXHDFGMGPVMZ-SXLOBPIMSA-N 1 3 347.503 0.914 20 0 ECADHO CN(C[C@H](O)C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000574917242 438728256 /nfs/dbraw/zinc/72/82/56/438728256.db2.gz YSMXHDFGMGPVMZ-SXLOBPIMSA-N 1 3 347.503 0.914 20 0 ECADHO Cc1ccc([C@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])N(C)C)cc1 ZINC000575733158 438752657 /nfs/dbraw/zinc/75/26/57/438752657.db2.gz GNVGCDSROBKPES-SJORKVTESA-N 1 3 333.480 0.882 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000576861118 438801722 /nfs/dbraw/zinc/80/17/22/438801722.db2.gz ZQBDQKPLNVWFMT-HOCLYGCPSA-N 1 3 348.491 0.672 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)CC1=O ZINC000456174984 438760716 /nfs/dbraw/zinc/76/07/16/438760716.db2.gz UKGPTDRKZOGNEQ-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000576371950 438780039 /nfs/dbraw/zinc/78/00/39/438780039.db2.gz QILGRXDXSFGFRL-CQSZACIVSA-N 1 3 347.467 0.740 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000576371950 438780042 /nfs/dbraw/zinc/78/00/42/438780042.db2.gz QILGRXDXSFGFRL-CQSZACIVSA-N 1 3 347.467 0.740 20 0 ECADHO [NH3+]CC1(O)CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000576402529 438782066 /nfs/dbraw/zinc/78/20/66/438782066.db2.gz IBHKHGATAAPGHR-UHFFFAOYSA-N 1 3 325.453 0.334 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)CCN2C1=O ZINC000576481560 438785876 /nfs/dbraw/zinc/78/58/76/438785876.db2.gz ZZZRUSCXOLQLEN-OWCLPIDISA-N 1 3 336.480 0.835 20 0 ECADHO CN1CCN(C[C@H](O)CNCCC[N@H+](C)C2CCCCC2)CC1 ZINC000556866319 438793018 /nfs/dbraw/zinc/79/30/18/438793018.db2.gz JDJKQIAVPWMUCV-GOSISDBHSA-N 1 3 326.529 0.839 20 0 ECADHO CN1CCN(C[C@H](O)CNCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000556866319 438793022 /nfs/dbraw/zinc/79/30/22/438793022.db2.gz JDJKQIAVPWMUCV-GOSISDBHSA-N 1 3 326.529 0.839 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000512448036 438809661 /nfs/dbraw/zinc/80/96/61/438809661.db2.gz PNQMRQJOIBVQFS-OWCLPIDISA-N 1 3 325.501 0.604 20 0 ECADHO CC[NH+]1CCC(NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000515234745 438857032 /nfs/dbraw/zinc/85/70/32/438857032.db2.gz OOZDZCPSJHQWCP-CQSZACIVSA-N 1 3 331.416 0.717 20 0 ECADHO COCCN(C)C[C@@H](O)C[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000577742838 438868199 /nfs/dbraw/zinc/86/81/99/438868199.db2.gz HSQOXGLKWIXWKO-NVXWUHKLSA-N 1 3 329.485 0.111 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000577843664 438876359 /nfs/dbraw/zinc/87/63/59/438876359.db2.gz UHRPBMXVKBUQSV-CGZBRXJRSA-N 1 3 337.512 0.938 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000577843664 438876362 /nfs/dbraw/zinc/87/63/62/438876362.db2.gz UHRPBMXVKBUQSV-CGZBRXJRSA-N 1 3 337.512 0.938 20 0 ECADHO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2CCCCN2CCO)CCSC1 ZINC000458492180 438892978 /nfs/dbraw/zinc/89/29/78/438892978.db2.gz FIIIXPLOLTVGNT-GOEBONIOSA-N 1 3 344.525 0.570 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000578245953 438910423 /nfs/dbraw/zinc/91/04/23/438910423.db2.gz DEAJEJVOBFBDMJ-MRXNPFEDSA-N 1 3 341.496 0.914 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CN1C1CC1 ZINC000516811987 438927121 /nfs/dbraw/zinc/92/71/21/438927121.db2.gz GTNZNZVLGRZJJV-IIAWOOMASA-N 1 3 334.464 0.425 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000516857177 438930525 /nfs/dbraw/zinc/93/05/25/438930525.db2.gz QEJBMVQLQFEDMX-SJLPKXTDSA-N 1 3 343.475 0.563 20 0 ECADHO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCC[C@@H](N)C3)CC2)cn1 ZINC000565225326 438930891 /nfs/dbraw/zinc/93/08/91/438930891.db2.gz CJVBOOLJXXIQNZ-TZMCWYRMSA-N 1 3 341.481 0.433 20 0 ECADHO CC(C)(CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C[NH+]1CCCC1 ZINC000516879099 438932310 /nfs/dbraw/zinc/93/23/10/438932310.db2.gz LZRXXTGQJWLTJI-KBPBESRZSA-N 1 3 337.468 0.062 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000516882729 438934086 /nfs/dbraw/zinc/93/40/86/438934086.db2.gz WLTXQMQMMRBYKZ-CQSZACIVSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000565256129 438937304 /nfs/dbraw/zinc/93/73/04/438937304.db2.gz WXDKDTAWFIFMJF-CQSZACIVSA-N 1 3 326.485 0.666 20 0 ECADHO Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)nnn1C1CC[NH2+]CC1 ZINC000578864828 438959755 /nfs/dbraw/zinc/95/97/55/438959755.db2.gz UHJXJMIPSCIRPD-HIFRSBDPSA-N 1 3 332.452 0.820 20 0 ECADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NC1CNC1 ZINC000565529998 438958436 /nfs/dbraw/zinc/95/84/36/438958436.db2.gz IVXWTOQXWVYMJX-AWEZNQCLSA-N 1 3 344.459 0.765 20 0 ECADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NC1CNC1 ZINC000565529998 438958440 /nfs/dbraw/zinc/95/84/40/438958440.db2.gz IVXWTOQXWVYMJX-AWEZNQCLSA-N 1 3 344.459 0.765 20 0 ECADHO CN1CCN(Cc2ccc(NC(=O)CCOC3C[NH2+]C3)cc2)CC1 ZINC000578886311 438962221 /nfs/dbraw/zinc/96/22/21/438962221.db2.gz UPCFNTGSGMLUGA-UHFFFAOYSA-N 1 3 332.448 0.751 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000565595904 438964089 /nfs/dbraw/zinc/96/40/89/438964089.db2.gz GGUBRSWIPAMKTN-QGZVFWFLSA-N 1 3 331.464 0.315 20 0 ECADHO CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000578994502 438972373 /nfs/dbraw/zinc/97/23/73/438972373.db2.gz YCNHIGRZQBPFIX-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000518493537 439001504 /nfs/dbraw/zinc/00/15/04/439001504.db2.gz AEANVFASWMHQCM-UHFFFAOYSA-N 1 3 334.420 0.643 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)ccn1 ZINC000579453276 439009419 /nfs/dbraw/zinc/00/94/19/439009419.db2.gz UIHDNXBBCZIHMZ-HNNXBMFYSA-N 1 3 335.452 0.902 20 0 ECADHO COC[C@H](C)OC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000580064195 439057982 /nfs/dbraw/zinc/05/79/82/439057982.db2.gz OZFRQOFHYSOTEB-PQEBFOHHSA-N 1 3 330.469 0.366 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000519707015 439058393 /nfs/dbraw/zinc/05/83/93/439058393.db2.gz BJUQXHJOZHOWDL-CABCVRRESA-N 1 3 337.468 0.075 20 0 ECADHO Cc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)nnn1C1CC[NH2+]CC1 ZINC000566188152 439019638 /nfs/dbraw/zinc/01/96/38/439019638.db2.gz UFGJCTKBPCIDHJ-ZFWWWQNUSA-N 1 3 332.452 0.677 20 0 ECADHO CN(CC1CC[NH+](C)CC1)C(=O)NCCCCN1CCN(C)CC1 ZINC000519058918 439020153 /nfs/dbraw/zinc/02/01/53/439020153.db2.gz JESLHGGBGMRGFB-UHFFFAOYSA-N 1 3 339.528 0.997 20 0 ECADHO Cc1c(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)nnn1C1CC[NH2+]CC1 ZINC000566188151 439020363 /nfs/dbraw/zinc/02/03/63/439020363.db2.gz UFGJCTKBPCIDHJ-UKRRQHHQSA-N 1 3 332.452 0.677 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000459910652 439030686 /nfs/dbraw/zinc/03/06/86/439030686.db2.gz SHLIILGTCRMKCR-UHFFFAOYSA-N 1 3 340.512 0.833 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000459922622 439037007 /nfs/dbraw/zinc/03/70/07/439037007.db2.gz QNNYQTXCZNNVHM-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000602480337 439095170 /nfs/dbraw/zinc/09/51/70/439095170.db2.gz GJQSXAJUEAGJAF-BQFCYCMXSA-N 1 3 338.496 0.380 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000520989999 439103185 /nfs/dbraw/zinc/10/31/85/439103185.db2.gz OVUUESVHEHGROC-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)C1(CNC(=O)NCCOCC[NH+](C)C)Cc2ccccc2C1 ZINC000471633530 439085239 /nfs/dbraw/zinc/08/52/39/439085239.db2.gz BJXUWSFQDONFMY-UHFFFAOYSA-N 1 3 348.491 0.963 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000580768421 439126933 /nfs/dbraw/zinc/12/69/33/439126933.db2.gz CIHDCOLVWMHEFU-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1CC2(CN1CCNS(=O)(=O)c1cnn(C)c1)CC[NH2+]CC2 ZINC000567890543 439194416 /nfs/dbraw/zinc/19/44/16/439194416.db2.gz DIHHGJHQBFPNKT-CYBMUJFWSA-N 1 3 341.481 0.162 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000568094327 439213387 /nfs/dbraw/zinc/21/33/87/439213387.db2.gz DHDWUEVPINCRJF-CVEARBPZSA-N 1 3 336.480 0.659 20 0 ECADHO COC(=O)[C@@H]1C[NH2+]CCCN1CCCN1CCN(C(C)C)CC1 ZINC000592487597 439237775 /nfs/dbraw/zinc/23/77/75/439237775.db2.gz VZGJUUKNOKBJLM-INIZCTEOSA-N 1 3 326.485 0.239 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492989 439240625 /nfs/dbraw/zinc/24/06/25/439240625.db2.gz LBVCCGKWSHOHAY-SOUVJXGZSA-N 1 3 340.468 0.559 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000568391733 439243119 /nfs/dbraw/zinc/24/31/19/439243119.db2.gz LVHZDJBRHZUQMD-SOUVJXGZSA-N 1 3 326.485 0.999 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000490052308 439254051 /nfs/dbraw/zinc/25/40/51/439254051.db2.gz FWKAOVZZJFAXRF-GFCCVEGCSA-N 1 3 345.513 0.538 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCC2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000582369764 439327198 /nfs/dbraw/zinc/32/71/98/439327198.db2.gz VMDMDGSBGSWKFX-HUUCEWRRSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCC2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000582369764 439327200 /nfs/dbraw/zinc/32/72/00/439327200.db2.gz VMDMDGSBGSWKFX-HUUCEWRRSA-N 1 3 336.480 0.435 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@H](C[NH3+])c3ccccc3)C2)nn1 ZINC000569102461 439305264 /nfs/dbraw/zinc/30/52/64/439305264.db2.gz QGLMKGMLVAFNCG-JKSUJKDBSA-N 1 3 328.420 0.643 20 0 ECADHO CCN1CCN(c2ccc(CNC[C@H](O)C[N@H+](C)C3CC3)cn2)CC1 ZINC000569095587 439305378 /nfs/dbraw/zinc/30/53/78/439305378.db2.gz SQARTFUZBKPUCT-SFHVURJKSA-N 1 3 347.507 0.768 20 0 ECADHO CCN1CCN(c2ccc(CNC[C@H](O)C[N@@H+](C)C3CC3)cn2)CC1 ZINC000569095587 439305384 /nfs/dbraw/zinc/30/53/84/439305384.db2.gz SQARTFUZBKPUCT-SFHVURJKSA-N 1 3 347.507 0.768 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000569566610 439343066 /nfs/dbraw/zinc/34/30/66/439343066.db2.gz BSIAXHGBNZXOKQ-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000569699417 439354092 /nfs/dbraw/zinc/35/40/92/439354092.db2.gz YOLJFAFKYRFAJN-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCCN(C4CCCC4)CC3)C[C@@H]12 ZINC000569713562 439357697 /nfs/dbraw/zinc/35/76/97/439357697.db2.gz UQXYIUAOPRKQNV-USXIJHARSA-N 1 3 348.491 0.659 20 0 ECADHO CN1CCN(CCCCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000605955578 439394202 /nfs/dbraw/zinc/39/42/02/439394202.db2.gz JVPTXZHXQOYCDD-MRXNPFEDSA-N 1 3 337.512 0.798 20 0 ECADHO CN1CCN(CCCCNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000605955578 439394206 /nfs/dbraw/zinc/39/42/06/439394206.db2.gz JVPTXZHXQOYCDD-MRXNPFEDSA-N 1 3 337.512 0.798 20 0 ECADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529342129 439410289 /nfs/dbraw/zinc/41/02/89/439410289.db2.gz RKZSTSMQXJWAAP-KGLIPLIRSA-N 1 3 346.422 0.784 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000608694526 439534997 /nfs/dbraw/zinc/53/49/97/439534997.db2.gz MWAQBGFHVDAVLS-CVEARBPZSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC000608694526 439535003 /nfs/dbraw/zinc/53/50/03/439535003.db2.gz MWAQBGFHVDAVLS-CVEARBPZSA-N 1 3 325.501 0.796 20 0 ECADHO CN(C)C/C=C/C(=O)N[C@@H](CNC(=O)/C=C\C[NH+](C)C)C(C)(C)C ZINC000492652604 439555320 /nfs/dbraw/zinc/55/53/20/439555320.db2.gz VJXNFRWWUGEYDH-QEWMVBAZSA-N 1 3 338.496 0.869 20 0 ECADHO CN(C)C/C=C\C(=O)NC[C@H](NC(=O)/C=C/C[NH+](C)C)C(C)(C)C ZINC000492652604 439555325 /nfs/dbraw/zinc/55/53/25/439555325.db2.gz VJXNFRWWUGEYDH-QEWMVBAZSA-N 1 3 338.496 0.869 20 0 ECADHO CC(C)(N)c1nocc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000584183148 439561106 /nfs/dbraw/zinc/56/11/06/439561106.db2.gz WDNTVDXKBMXZGP-UHFFFAOYSA-N 1 3 349.435 0.249 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(CO)CO)CC2)CC1 ZINC000584240998 439567199 /nfs/dbraw/zinc/56/71/99/439567199.db2.gz YYXMLVGHQDAEBW-UHFFFAOYSA-N 1 3 327.469 0.042 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000572386285 439577787 /nfs/dbraw/zinc/57/77/87/439577787.db2.gz CAQXYYQIELLGLV-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000572579054 439593169 /nfs/dbraw/zinc/59/31/69/439593169.db2.gz JVOBDHBICMWJIZ-HNNXBMFYSA-N 1 3 337.512 0.938 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000572579054 439593174 /nfs/dbraw/zinc/59/31/74/439593174.db2.gz JVOBDHBICMWJIZ-HNNXBMFYSA-N 1 3 337.512 0.938 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000572579054 439593177 /nfs/dbraw/zinc/59/31/77/439593177.db2.gz JVOBDHBICMWJIZ-HNNXBMFYSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3CC[NH2+]C4)C[C@@H]21 ZINC000572612785 439597096 /nfs/dbraw/zinc/59/70/96/439597096.db2.gz FSYGVVCZQBOQDN-CJNGLKHVSA-N 1 3 328.416 0.433 20 0 ECADHO CNS(=O)(=O)CCC[N@@H+]1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000610250094 439604664 /nfs/dbraw/zinc/60/46/64/439604664.db2.gz ABODWJNIOPDORA-HNNXBMFYSA-N 1 3 332.514 0.026 20 0 ECADHO CNS(=O)(=O)CCC[N@H+]1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000610250094 439604668 /nfs/dbraw/zinc/60/46/68/439604668.db2.gz ABODWJNIOPDORA-HNNXBMFYSA-N 1 3 332.514 0.026 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000584767891 439614001 /nfs/dbraw/zinc/61/40/01/439614001.db2.gz BAUCZIMZARILEZ-GXTWGEPZSA-N 1 3 348.447 0.891 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000573699587 439661351 /nfs/dbraw/zinc/66/13/51/439661351.db2.gz VWEHGTYOBAHCKV-CVEARBPZSA-N 1 3 339.528 0.947 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC000573697747 439661545 /nfs/dbraw/zinc/66/15/45/439661545.db2.gz WGCXCPMHVYENMO-WZYMTQMTSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC000573697747 439661546 /nfs/dbraw/zinc/66/15/46/439661546.db2.gz WGCXCPMHVYENMO-WZYMTQMTSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000573692296 439662205 /nfs/dbraw/zinc/66/22/05/439662205.db2.gz MQNCJDAORZPXMU-OALUTQOASA-N 1 3 334.508 0.357 20 0 ECADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573089306 439627254 /nfs/dbraw/zinc/62/72/54/439627254.db2.gz JYCXGUYBSXUWFI-CPUCHLNUSA-N 1 3 337.468 0.251 20 0 ECADHO CN1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000574384349 439701548 /nfs/dbraw/zinc/70/15/48/439701548.db2.gz CIZFHWGUDKKORV-SJORKVTESA-N 1 3 331.464 0.636 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000574191282 439688515 /nfs/dbraw/zinc/68/85/15/439688515.db2.gz BMDZMMXYUDRJON-CWRNSKLLSA-N 1 3 334.468 0.588 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000574191282 439688521 /nfs/dbraw/zinc/68/85/21/439688521.db2.gz BMDZMMXYUDRJON-CWRNSKLLSA-N 1 3 334.468 0.588 20 0 ECADHO [NH3+]C/C=C\CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923478 439746197 /nfs/dbraw/zinc/74/61/97/439746197.db2.gz CKJICSPBEQPHSI-BOPNBLERSA-N 1 3 347.467 0.223 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612931578 439746387 /nfs/dbraw/zinc/74/63/87/439746387.db2.gz ZBNWIRPVSFNUAW-KBPBESRZSA-N 1 3 349.483 0.316 20 0 ECADHO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000662759420 439876667 /nfs/dbraw/zinc/87/66/67/439876667.db2.gz WFDPHYWWUIABPR-JSGCOSHPSA-N 1 3 336.402 0.528 20 0 ECADHO NC1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC2(CCC2)C1 ZINC000662762651 439882199 /nfs/dbraw/zinc/88/21/99/439882199.db2.gz XNUBXHSZPDWGOY-LSDHHAIUSA-N 1 3 348.491 0.755 20 0 ECADHO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C1(O)CNC1 ZINC000662759437 439877523 /nfs/dbraw/zinc/87/75/23/439877523.db2.gz WXIXGUUYVZUWIA-UHFFFAOYSA-N 1 3 346.475 0.035 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662759427 439878994 /nfs/dbraw/zinc/87/89/94/439878994.db2.gz WGURUOFAXLTBDV-AWEZNQCLSA-N 1 3 349.479 0.897 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000662759574 439881060 /nfs/dbraw/zinc/88/10/60/439881060.db2.gz UVCDNNHGYVDUMO-IRXDYDNUSA-N 1 3 347.463 0.074 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000662660064 439837045 /nfs/dbraw/zinc/83/70/45/439837045.db2.gz SOVXAIQDSWXVSB-UHFFFAOYSA-N 1 3 346.475 0.467 20 0 ECADHO O=C(NC1CCN(C2CC2)CC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662671397 439840284 /nfs/dbraw/zinc/84/02/84/439840284.db2.gz PGGTYZWLQBAQEU-OAHLLOKOSA-N 1 3 332.452 0.949 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000652432911 439846538 /nfs/dbraw/zinc/84/65/38/439846538.db2.gz HMYZOCCKBAAXNM-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652700933 439930893 /nfs/dbraw/zinc/93/08/93/439930893.db2.gz WVAGBGJOMXUCJC-ZIAGYGMSSA-N 1 3 340.468 0.160 20 0 ECADHO NC1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC2(CCC2)C1 ZINC000662762647 439882327 /nfs/dbraw/zinc/88/23/27/439882327.db2.gz XNUBXHSZPDWGOY-GJZGRUSLSA-N 1 3 348.491 0.755 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000617504123 439898611 /nfs/dbraw/zinc/89/86/11/439898611.db2.gz HRGDUGWNEIZVMR-UONOGXRCSA-N 1 3 327.473 0.165 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000617504123 439898619 /nfs/dbraw/zinc/89/86/19/439898619.db2.gz HRGDUGWNEIZVMR-UONOGXRCSA-N 1 3 327.473 0.165 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)N1CCCC1=O ZINC000617505541 439901540 /nfs/dbraw/zinc/90/15/40/439901540.db2.gz HBJZUFDVBSMTGF-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)N1CCCC1=O ZINC000617505541 439901546 /nfs/dbraw/zinc/90/15/46/439901546.db2.gz HBJZUFDVBSMTGF-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO N[C@H]1CCCCN(CC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662837900 439908159 /nfs/dbraw/zinc/90/81/59/439908159.db2.gz AHUPOAMQDCBXOD-CVEARBPZSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652673422 439912008 /nfs/dbraw/zinc/91/20/08/439912008.db2.gz OWTAZIPZDLQWNE-ZNMIVQPWSA-N 1 3 338.496 0.714 20 0 ECADHO COC[C@@]1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC[NH2+]C1 ZINC000662859723 439917598 /nfs/dbraw/zinc/91/75/98/439917598.db2.gz NVSVDTMGPOMUPN-PKOBYXMFSA-N 1 3 347.459 0.496 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000626975014 439975498 /nfs/dbraw/zinc/97/54/98/439975498.db2.gz ZVNZTRWBULDHIW-UKRRQHHQSA-N 1 3 339.484 0.369 20 0 ECADHO N[C@H]1CCCCN(CC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1=O ZINC000663005329 439986652 /nfs/dbraw/zinc/98/66/52/439986652.db2.gz TVKCXKQWQYDJSA-HOTGVXAUSA-N 1 3 336.480 0.564 20 0 ECADHO N[C@H]1CCCCN(CC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1=O ZINC000663005329 439986659 /nfs/dbraw/zinc/98/66/59/439986659.db2.gz TVKCXKQWQYDJSA-HOTGVXAUSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CN1CCN(C)CC1 ZINC000626986194 439981266 /nfs/dbraw/zinc/98/12/66/439981266.db2.gz CNRXGNSEIYDKQM-NXHRZFHOSA-N 1 3 337.512 0.511 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723674 439943465 /nfs/dbraw/zinc/94/34/65/439943465.db2.gz IGTPJRAQQQDNEV-AWEZNQCLSA-N 1 3 338.496 0.681 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626910109 439953017 /nfs/dbraw/zinc/95/30/17/439953017.db2.gz XRVQFYGIZWZRSL-WCQYABFASA-N 1 3 334.420 0.562 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000662946039 439963469 /nfs/dbraw/zinc/96/34/69/439963469.db2.gz ZYQWTABOCAYTBC-UHFFFAOYSA-N 1 3 341.415 0.579 20 0 ECADHO CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016686 439989280 /nfs/dbraw/zinc/98/92/80/439989280.db2.gz DTVVAIGQWLXWLV-GJZGRUSLSA-N 1 3 348.495 0.913 20 0 ECADHO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014351 439990090 /nfs/dbraw/zinc/99/00/90/439990090.db2.gz LFNIULMYNCPPSM-LSDHHAIUSA-N 1 3 346.479 0.667 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627019176 439992794 /nfs/dbraw/zinc/99/27/94/439992794.db2.gz SSUDNEZCHVCDHO-INIZCTEOSA-N 1 3 342.484 0.365 20 0 ECADHO [NH3+]CCCCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017379 439993056 /nfs/dbraw/zinc/99/30/56/439993056.db2.gz JQBXZIBLZBQKTH-CQSZACIVSA-N 1 3 334.468 0.654 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091760 439998609 /nfs/dbraw/zinc/99/86/09/439998609.db2.gz JCXBLGLMZUESBH-GJZGRUSLSA-N 1 3 337.468 0.075 20 0 ECADHO N[C@@H]1CCCCN(CC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)C1=O ZINC000663005330 439987267 /nfs/dbraw/zinc/98/72/67/439987267.db2.gz TVKCXKQWQYDJSA-HZPDHXFCSA-N 1 3 336.480 0.564 20 0 ECADHO N[C@@H]1CCCCN(CC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1=O ZINC000663005330 439987270 /nfs/dbraw/zinc/98/72/70/439987270.db2.gz TVKCXKQWQYDJSA-HZPDHXFCSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)C[NH2+]1 ZINC000627007494 439988177 /nfs/dbraw/zinc/98/81/77/439988177.db2.gz ZSEUNQDVMXENIL-DZGCQCFKSA-N 1 3 335.452 0.962 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000642910873 440059845 /nfs/dbraw/zinc/05/98/45/440059845.db2.gz QBRPNPOYBZOYEA-MRXNPFEDSA-N 1 3 346.475 0.617 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000642910555 440061137 /nfs/dbraw/zinc/06/11/37/440061137.db2.gz ISJLBIAOXIANIQ-ZDUSSCGKSA-N 1 3 326.485 0.809 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642916794 440062800 /nfs/dbraw/zinc/06/28/00/440062800.db2.gz JGGQTQDOZGDHFL-QGZVFWFLSA-N 1 3 346.475 0.835 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000642914477 440063032 /nfs/dbraw/zinc/06/30/32/440063032.db2.gz RCQRLWKOGINXTH-IAGOWNOFSA-N 1 3 344.459 0.588 20 0 ECADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642950428 440067238 /nfs/dbraw/zinc/06/72/38/440067238.db2.gz POJVXKSDONFPEU-ZBFHGGJFSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000643013407 440081403 /nfs/dbraw/zinc/08/14/03/440081403.db2.gz NNELXXUTUOMSNT-INCKADGYSA-N 1 3 348.491 0.419 20 0 ECADHO C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000653155659 440085332 /nfs/dbraw/zinc/08/53/32/440085332.db2.gz BFFGBSCCKLZYEF-ROUUACIJSA-N 1 3 348.491 0.673 20 0 ECADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000643081329 440087284 /nfs/dbraw/zinc/08/72/84/440087284.db2.gz DULVNLVJIBQQOR-RDJZCZTQSA-N 1 3 345.447 0.714 20 0 ECADHO O=C(NCC[NH2+]C1CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000642801793 440047469 /nfs/dbraw/zinc/04/74/69/440047469.db2.gz FGHKWPPJGXHZGX-UHFFFAOYSA-N 1 3 344.459 0.635 20 0 ECADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000642906648 440057213 /nfs/dbraw/zinc/05/72/13/440057213.db2.gz ZPNVAQVBFIZBBS-JKSUJKDBSA-N 1 3 336.480 0.722 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)[NH3+])c1 ZINC000642907599 440057607 /nfs/dbraw/zinc/05/76/07/440057607.db2.gz CFSVGYCBPJHWHW-ZDUSSCGKSA-N 1 3 336.436 0.049 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000637002364 440126677 /nfs/dbraw/zinc/12/66/77/440126677.db2.gz RNOXHYKPYNAVNF-OAHLLOKOSA-N 1 3 325.501 0.844 20 0 ECADHO CC1CCN(CCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663631642 440131705 /nfs/dbraw/zinc/13/17/05/440131705.db2.gz ZQTLJQYZDYKFTF-KRWDZBQOSA-N 1 3 338.496 0.959 20 0 ECADHO CC1CCN(CCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663631642 440131712 /nfs/dbraw/zinc/13/17/12/440131712.db2.gz ZQTLJQYZDYKFTF-KRWDZBQOSA-N 1 3 338.496 0.959 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(CC)([NH+](C)C)CC2)C1 ZINC000637021160 440135108 /nfs/dbraw/zinc/13/51/08/440135108.db2.gz XVPCAISOOSMXFZ-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653379341 440143490 /nfs/dbraw/zinc/14/34/90/440143490.db2.gz PBWKYGKTZZRYKK-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627311662 440113563 /nfs/dbraw/zinc/11/35/63/440113563.db2.gz DZHVHUDJWRPXNI-DGADGQDISA-N 1 3 338.496 0.726 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627311663 440114013 /nfs/dbraw/zinc/11/40/13/440114013.db2.gz DZHVHUDJWRPXNI-LEOABGAYSA-N 1 3 338.496 0.726 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000627309247 440114275 /nfs/dbraw/zinc/11/42/75/440114275.db2.gz LGSKBHQQTLFDOO-GOEBONIOSA-N 1 3 332.448 0.491 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000627312294 440115155 /nfs/dbraw/zinc/11/51/55/440115155.db2.gz VRLPRCSBXDCHGV-XFIYOXNOSA-N 1 3 338.496 0.726 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000627312291 440115663 /nfs/dbraw/zinc/11/56/63/440115663.db2.gz VRLPRCSBXDCHGV-ARKGTOAJSA-N 1 3 338.496 0.726 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000627390657 440174071 /nfs/dbraw/zinc/17/40/71/440174071.db2.gz SHRZXJRJXHHKIP-MRXNPFEDSA-N 1 3 330.432 0.245 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000643478893 440179736 /nfs/dbraw/zinc/17/97/36/440179736.db2.gz MLERNKMBGSULBG-CQSZACIVSA-N 1 3 345.447 0.316 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494676 440187211 /nfs/dbraw/zinc/18/72/11/440187211.db2.gz XVFNDRNHHIZJKS-GVDBMIGSSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498942 440188847 /nfs/dbraw/zinc/18/88/47/440188847.db2.gz YLXSNDDFFDHMFQ-BZUAXINKSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498794 440189673 /nfs/dbraw/zinc/18/96/73/440189673.db2.gz WYTSRRYGXXMBTA-HRCADAONSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627358289 440149225 /nfs/dbraw/zinc/14/92/25/440149225.db2.gz FQPWMCTUSHHRJM-OLMNPRSZSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627357669 440150047 /nfs/dbraw/zinc/15/00/47/440150047.db2.gz MSDCUGCYKAYAOH-JCGIZDLHSA-N 1 3 336.480 0.293 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000643552820 440213024 /nfs/dbraw/zinc/21/30/24/440213024.db2.gz OOWHCLHYSVTHFZ-QGZVFWFLSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000643552819 440213146 /nfs/dbraw/zinc/21/31/46/440213146.db2.gz OOWHCLHYSVTHFZ-KRWDZBQOSA-N 1 3 336.480 0.531 20 0 ECADHO COC[C@]1(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000637264158 440219501 /nfs/dbraw/zinc/21/95/01/440219501.db2.gz KRIBAGRHPGDLST-RDJZCZTQSA-N 1 3 344.500 0.705 20 0 ECADHO COC[C@]1(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000637264158 440219509 /nfs/dbraw/zinc/21/95/09/440219509.db2.gz KRIBAGRHPGDLST-RDJZCZTQSA-N 1 3 344.500 0.705 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000643594597 440219605 /nfs/dbraw/zinc/21/96/05/440219605.db2.gz WSZUZVQZGBXEHS-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659072544 440226989 /nfs/dbraw/zinc/22/69/89/440226989.db2.gz HDUPYGLEXCASAL-INIZCTEOSA-N 1 3 348.447 0.696 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659077425 440229761 /nfs/dbraw/zinc/22/97/61/440229761.db2.gz DGPXLQUXJYQFNU-BBRMVZONSA-N 1 3 348.447 0.742 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977932 440203649 /nfs/dbraw/zinc/20/36/49/440203649.db2.gz JYOUFUPYFJKPKR-CVEARBPZSA-N 1 3 347.525 0.654 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000627439326 440206819 /nfs/dbraw/zinc/20/68/19/440206819.db2.gz GKYPTYUNKYYSBE-LSDHHAIUSA-N 1 3 334.464 0.474 20 0 ECADHO CCN(C(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000664220480 440261840 /nfs/dbraw/zinc/26/18/40/440261840.db2.gz NASAZBPZXLJUPO-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO CCN(C(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000664220480 440261846 /nfs/dbraw/zinc/26/18/46/440261846.db2.gz NASAZBPZXLJUPO-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO [NH3+]C[C@H](NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC1 ZINC000659519384 440354099 /nfs/dbraw/zinc/35/40/99/440354099.db2.gz QUAMOOJPUIHOCO-SJORKVTESA-N 1 3 332.448 0.790 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659571626 440366179 /nfs/dbraw/zinc/36/61/79/440366179.db2.gz KJTCPNUXDGTKFZ-UHFFFAOYSA-N 1 3 339.484 0.454 20 0 ECADHO COCCN(CCN(C)C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000648770871 440322941 /nfs/dbraw/zinc/32/29/41/440322941.db2.gz IFXCQQFCJPDMAB-INIZCTEOSA-N 1 3 327.469 0.666 20 0 ECADHO COCCN(CCN(C)C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000648770871 440322947 /nfs/dbraw/zinc/32/29/47/440322947.db2.gz IFXCQQFCJPDMAB-INIZCTEOSA-N 1 3 327.469 0.666 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000659442173 440328192 /nfs/dbraw/zinc/32/81/92/440328192.db2.gz ZQPBKXUTZLMFFY-OAHLLOKOSA-N 1 3 339.484 0.370 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659679411 440415130 /nfs/dbraw/zinc/41/51/30/440415130.db2.gz WOZSSWRHJNABPO-QGZVFWFLSA-N 1 3 346.475 0.822 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000633039814 440418895 /nfs/dbraw/zinc/41/88/95/440418895.db2.gz UPNDGACOARUXNZ-DGCLKSJQSA-N 1 3 334.420 0.643 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000659688594 440423666 /nfs/dbraw/zinc/42/36/66/440423666.db2.gz BZVHHTRLDNYCLJ-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)CCO1 ZINC000649274675 440427771 /nfs/dbraw/zinc/42/77/71/440427771.db2.gz UKBSEIDYZKGZNG-LSDHHAIUSA-N 1 3 325.453 0.596 20 0 ECADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630468 440381060 /nfs/dbraw/zinc/38/10/60/440381060.db2.gz JEFQOVDWFLYWHJ-AAEUAGOBSA-N 1 3 334.424 0.267 20 0 ECADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630468 440381062 /nfs/dbraw/zinc/38/10/62/440381062.db2.gz JEFQOVDWFLYWHJ-AAEUAGOBSA-N 1 3 334.424 0.267 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000659628683 440381833 /nfs/dbraw/zinc/38/18/33/440381833.db2.gz JKTVKEDHCDTAIG-UHFFFAOYSA-N 1 3 348.451 0.562 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000659628410 440382907 /nfs/dbraw/zinc/38/29/07/440382907.db2.gz CFIXNMOHHVTNGP-CYBMUJFWSA-N 1 3 348.451 0.562 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000654717544 440385475 /nfs/dbraw/zinc/38/54/75/440385475.db2.gz LUBVYGXLNVBCNM-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000654717544 440385481 /nfs/dbraw/zinc/38/54/81/440385481.db2.gz LUBVYGXLNVBCNM-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)n1 ZINC000654777782 440398375 /nfs/dbraw/zinc/39/83/75/440398375.db2.gz BUKYVROQINCBDX-UHFFFAOYSA-N 1 3 337.468 0.628 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000654795508 440401515 /nfs/dbraw/zinc/40/15/15/440401515.db2.gz MPUJVFXRJBOYFG-INIZCTEOSA-N 1 3 348.495 0.297 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000654795508 440401518 /nfs/dbraw/zinc/40/15/18/440401518.db2.gz MPUJVFXRJBOYFG-INIZCTEOSA-N 1 3 348.495 0.297 20 0 ECADHO COc1ccc([C@H](CNC(=O)CN2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000638048203 440406004 /nfs/dbraw/zinc/40/60/04/440406004.db2.gz BRRSFFOPPYMJKI-SFHVURJKSA-N 1 3 346.475 0.854 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659680240 440414327 /nfs/dbraw/zinc/41/43/27/440414327.db2.gz CLCYKLKMZVZTLW-WRSVWVKZSA-N 1 3 336.480 0.563 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000638138269 440461331 /nfs/dbraw/zinc/46/13/31/440461331.db2.gz ZINPUQOBFOHHCZ-MSOLQXFVSA-N 1 3 346.475 0.821 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659734615 440470671 /nfs/dbraw/zinc/47/06/71/440470671.db2.gz ACOZSRWXLOLCAK-AWEZNQCLSA-N 1 3 338.496 0.953 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CCCC1 ZINC000659734737 440472123 /nfs/dbraw/zinc/47/21/23/440472123.db2.gz ORGRHPRCEOTUTI-AWEZNQCLSA-N 1 3 336.480 0.897 20 0 ECADHO COc1cccc(C[C@@H](N)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000638091234 440435522 /nfs/dbraw/zinc/43/55/22/440435522.db2.gz RQDMIKORTFYOCX-MRXNPFEDSA-N 1 3 331.420 0.962 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633096573 440441565 /nfs/dbraw/zinc/44/15/65/440441565.db2.gz KPEBEWJGMJTQQJ-HUUCEWRRSA-N 1 3 326.485 0.620 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000659706704 440441696 /nfs/dbraw/zinc/44/16/96/440441696.db2.gz AMRVYJOPJSLJOR-QGZVFWFLSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](CN)C1 ZINC000659707836 440442242 /nfs/dbraw/zinc/44/22/42/440442242.db2.gz ZNMGAAMFKJFRCO-OCCSQVGLSA-N 1 3 338.496 0.998 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)CN2CCCC[C@@H](N)C2=O)([NH+](C)C)C1 ZINC000649304968 440449448 /nfs/dbraw/zinc/44/94/48/440449448.db2.gz SJPXOYLKQKVWEE-RKVPGOIHSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CNCCC1(F)F ZINC000644131140 440450308 /nfs/dbraw/zinc/45/03/08/440450308.db2.gz KPXCNXPOLCYMGW-VHSXEESVSA-N 1 3 344.328 0.184 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000659720695 440457098 /nfs/dbraw/zinc/45/70/98/440457098.db2.gz VVEVIRIKXNHPNL-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659722011 440459520 /nfs/dbraw/zinc/45/95/20/440459520.db2.gz JLOMRMXUVFZJCG-HUUCEWRRSA-N 1 3 342.484 0.189 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649318509 440461098 /nfs/dbraw/zinc/46/10/98/440461098.db2.gz RCAZZGGBLSPLJR-CHWSQXEVSA-N 1 3 346.422 0.290 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350631 440518295 /nfs/dbraw/zinc/51/82/95/440518295.db2.gz MXMRGINCVFAWTL-INIZCTEOSA-N 1 3 335.448 0.888 20 0 ECADHO C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760685 440525669 /nfs/dbraw/zinc/52/56/69/440525669.db2.gz MXWRWLBFLITJOZ-HRCADAONSA-N 1 3 344.500 0.440 20 0 ECADHO C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760685 440525674 /nfs/dbraw/zinc/52/56/74/440525674.db2.gz MXWRWLBFLITJOZ-HRCADAONSA-N 1 3 344.500 0.440 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOCC(F)(F)C1 ZINC000665762972 440526882 /nfs/dbraw/zinc/52/68/82/440526882.db2.gz VZGDMWMHDQCFJT-ZDUSSCGKSA-N 1 3 336.427 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOCC(F)(F)C1 ZINC000665762972 440526888 /nfs/dbraw/zinc/52/68/88/440526888.db2.gz VZGDMWMHDQCFJT-ZDUSSCGKSA-N 1 3 336.427 0.936 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)CCN1CCCC1 ZINC000665757609 440527113 /nfs/dbraw/zinc/52/71/13/440527113.db2.gz QFTJCEBPRWKAAZ-INIZCTEOSA-N 1 3 327.517 0.996 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000665763896 440531009 /nfs/dbraw/zinc/53/10/09/440531009.db2.gz OEHQAXMNKGDDPH-XUWVNRHRSA-N 1 3 328.501 0.917 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000665763896 440531015 /nfs/dbraw/zinc/53/10/15/440531015.db2.gz OEHQAXMNKGDDPH-XUWVNRHRSA-N 1 3 328.501 0.917 20 0 ECADHO CN1CC[NH+](CCCCNC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000649351158 440483105 /nfs/dbraw/zinc/48/31/05/440483105.db2.gz VEFWMVMFFWHHCW-GOSISDBHSA-N 1 3 330.476 0.845 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655447637 440563104 /nfs/dbraw/zinc/56/31/04/440563104.db2.gz BKDOWZIHVTYAAG-CRAIPNDOSA-N 1 3 336.480 0.435 20 0 ECADHO CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638439410 440541522 /nfs/dbraw/zinc/54/15/22/440541522.db2.gz HYGGWHIJOSAHSG-UONOGXRCSA-N 1 3 334.468 0.523 20 0 ECADHO O=C1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CCCN1 ZINC000638463191 440542893 /nfs/dbraw/zinc/54/28/93/440542893.db2.gz RHCDVOYXFRESBX-INIZCTEOSA-N 1 3 331.464 0.852 20 0 ECADHO O=C(Nc1ccc2c(c1)OCCNC2)c1cnnn1C1CC[NH2+]CC1 ZINC000638670075 440599131 /nfs/dbraw/zinc/59/91/31/440599131.db2.gz CEZLAUSOAHEOGO-UHFFFAOYSA-N 1 3 342.403 0.937 20 0 ECADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000660120163 440603447 /nfs/dbraw/zinc/60/34/47/440603447.db2.gz DQVOVOJZNKRVBT-HOTGVXAUSA-N 1 3 326.485 0.102 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000660120163 440603452 /nfs/dbraw/zinc/60/34/52/440603452.db2.gz DQVOVOJZNKRVBT-HOTGVXAUSA-N 1 3 326.485 0.102 20 0 ECADHO CCC(C)(C)N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000655961440 440660596 /nfs/dbraw/zinc/66/05/96/440660596.db2.gz RTPJXMZNUGHLBE-UHFFFAOYSA-N 1 3 325.501 0.798 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1(C)C ZINC000638985111 440660893 /nfs/dbraw/zinc/66/08/93/440660893.db2.gz YSWYGOYEXKLTMT-RDTXWAMCSA-N 1 3 347.463 0.962 20 0 ECADHO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000650724789 440675968 /nfs/dbraw/zinc/67/59/68/440675968.db2.gz MMOAVCZUMIUDLZ-ZFWWWQNUSA-N 1 3 332.448 0.550 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916265 440640826 /nfs/dbraw/zinc/64/08/26/440640826.db2.gz UNEAKDMHZWMKQA-LLVKDONJSA-N 1 3 325.379 0.203 20 0 ECADHO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644548852 440642465 /nfs/dbraw/zinc/64/24/65/440642465.db2.gz MKQRHBUEEBPWMC-IEBWSBKVSA-N 1 3 334.508 0.705 20 0 ECADHO [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000656021841 440694128 /nfs/dbraw/zinc/69/41/28/440694128.db2.gz LOILAQSSOJGOQO-IKGGRYGDSA-N 1 3 344.459 0.936 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@@H]1C[NH3+] ZINC000656028471 440700807 /nfs/dbraw/zinc/70/08/07/440700807.db2.gz LJLDDQCONBDDMI-QKPAOTATSA-N 1 3 336.480 0.563 20 0 ECADHO OC1CCN(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634720566 440699159 /nfs/dbraw/zinc/69/91/59/440699159.db2.gz LRGZTMFYYDUGRW-LJQANCHMSA-N 1 3 333.476 0.670 20 0 ECADHO OC1CCN(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634720566 440699166 /nfs/dbraw/zinc/69/91/66/440699166.db2.gz LRGZTMFYYDUGRW-LJQANCHMSA-N 1 3 333.476 0.670 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000656040580 440699926 /nfs/dbraw/zinc/69/99/26/440699926.db2.gz LRNODPYGQQCODA-LXZKKBNFSA-N 1 3 344.459 0.528 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656306187 440757356 /nfs/dbraw/zinc/75/73/56/440757356.db2.gz IZOVPABMSQFSNY-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656306187 440757360 /nfs/dbraw/zinc/75/73/60/440757360.db2.gz IZOVPABMSQFSNY-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCC2(CC1)CN(C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)CCO2 ZINC000645175051 440757712 /nfs/dbraw/zinc/75/77/12/440757712.db2.gz QJCGKGZPLHKOSV-HNNXBMFYSA-N 1 3 336.480 0.977 20 0 ECADHO CN1CCC2(CC1)CN(C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)CCO2 ZINC000645175051 440757720 /nfs/dbraw/zinc/75/77/20/440757720.db2.gz QJCGKGZPLHKOSV-HNNXBMFYSA-N 1 3 336.480 0.977 20 0 ECADHO CS(=O)(=O)NC1(C[NH2+]C[C@@H](O)CN2CCCC2)CCCCC1 ZINC000629554827 440725157 /nfs/dbraw/zinc/72/51/57/440725157.db2.gz SSXHXZFLAOSKTR-CQSZACIVSA-N 1 3 333.498 0.285 20 0 ECADHO NCC(=O)N1CCC[C@H](CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629655260 440746837 /nfs/dbraw/zinc/74/68/37/440746837.db2.gz UTWPOMFFMCFJDC-FRRDWIJNSA-N 1 3 336.402 0.643 20 0 ECADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651106265 440747847 /nfs/dbraw/zinc/74/78/47/440747847.db2.gz WCQPFGYLVKTQIM-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651106265 440747851 /nfs/dbraw/zinc/74/78/51/440747851.db2.gz WCQPFGYLVKTQIM-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656285720 440750713 /nfs/dbraw/zinc/75/07/13/440750713.db2.gz GCNXFUWPHPUNRJ-JKSUJKDBSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000645204920 440762711 /nfs/dbraw/zinc/76/27/11/440762711.db2.gz ACTOLEDVHKEASE-QLFBSQMISA-N 1 3 337.468 0.375 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000645204920 440762721 /nfs/dbraw/zinc/76/27/21/440762721.db2.gz ACTOLEDVHKEASE-QLFBSQMISA-N 1 3 337.468 0.375 20 0 ECADHO CC[N@H+](CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C1CC1 ZINC000645208890 440763955 /nfs/dbraw/zinc/76/39/55/440763955.db2.gz ONJHYRWZAJHEQY-CYBMUJFWSA-N 1 3 325.457 0.232 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C1CC1 ZINC000645208890 440763957 /nfs/dbraw/zinc/76/39/57/440763957.db2.gz ONJHYRWZAJHEQY-CYBMUJFWSA-N 1 3 325.457 0.232 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645219071 440765816 /nfs/dbraw/zinc/76/58/16/440765816.db2.gz JWHSCJJBOQHXBN-LSDHHAIUSA-N 1 3 339.484 0.622 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645219071 440765821 /nfs/dbraw/zinc/76/58/21/440765821.db2.gz JWHSCJJBOQHXBN-LSDHHAIUSA-N 1 3 339.484 0.622 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629806579 440770074 /nfs/dbraw/zinc/77/00/74/440770074.db2.gz UTJQVCUKTQBZIU-HDICACEKSA-N 1 3 336.480 0.389 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000635197100 440781849 /nfs/dbraw/zinc/78/18/49/440781849.db2.gz XVWXUKZDMHPZSS-UHFFFAOYSA-N 1 3 348.451 0.299 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656359021 440789456 /nfs/dbraw/zinc/78/94/56/440789456.db2.gz WLQRNVLZUSFQQL-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC(C(=O)NCCN(C)C)CC1 ZINC000656697118 440836852 /nfs/dbraw/zinc/83/68/52/440836852.db2.gz PKHXGXWBELOXFY-INIZCTEOSA-N 1 3 328.501 0.077 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC(C(=O)NCCN(C)C)CC1 ZINC000656697118 440836858 /nfs/dbraw/zinc/83/68/58/440836858.db2.gz PKHXGXWBELOXFY-INIZCTEOSA-N 1 3 328.501 0.077 20 0 ECADHO CO[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@](C)(C[NH3+])C1 ZINC000630363184 440889271 /nfs/dbraw/zinc/88/92/71/440889271.db2.gz CHPVDMQFZNGTQB-JENIJYKNSA-N 1 3 348.491 0.844 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000661946633 440943709 /nfs/dbraw/zinc/94/37/09/440943709.db2.gz KYLMNXJKSGEPRL-KBPBESRZSA-N 1 3 325.457 0.232 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000661946633 440943715 /nfs/dbraw/zinc/94/37/15/440943715.db2.gz KYLMNXJKSGEPRL-KBPBESRZSA-N 1 3 325.457 0.232 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000630921335 440981829 /nfs/dbraw/zinc/98/18/29/440981829.db2.gz HLNVPCPYDNIEOG-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000630921335 440981834 /nfs/dbraw/zinc/98/18/34/440981834.db2.gz HLNVPCPYDNIEOG-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)[C@@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@@H](C)[NH3+] ZINC000646075320 440987820 /nfs/dbraw/zinc/98/78/20/440987820.db2.gz BFDSBOLQWBCSNA-IUODEOHRSA-N 1 3 338.456 0.119 20 0 ECADHO CCCNC(=O)CN(C)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297839 441007779 /nfs/dbraw/zinc/00/77/79/441007779.db2.gz SIOZIEDMVLIQJL-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000636065876 441075468 /nfs/dbraw/zinc/07/54/68/441075468.db2.gz MPURGBQDCRGTAU-JKSUJKDBSA-N 1 3 327.469 0.524 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000636065876 441075473 /nfs/dbraw/zinc/07/54/73/441075473.db2.gz MPURGBQDCRGTAU-JKSUJKDBSA-N 1 3 327.469 0.524 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652239609 441035160 /nfs/dbraw/zinc/03/51/60/441035160.db2.gz XZTXIBSWIXGCAH-CQSZACIVSA-N 1 3 337.468 0.063 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641026268 441046962 /nfs/dbraw/zinc/04/69/62/441046962.db2.gz OZAUKWNNAPQKGE-HUUCEWRRSA-N 1 3 337.468 0.077 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000284081138 320617795 /nfs/dbraw/zinc/61/77/95/320617795.db2.gz LUDOWZKXLRFWLC-CQSZACIVSA-N 1 3 334.464 0.821 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000332672338 320909867 /nfs/dbraw/zinc/90/98/67/320909867.db2.gz PTRCMIZGHSPPBK-OAGGEKHMSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCC(C)CC1 ZINC000333753048 320925189 /nfs/dbraw/zinc/92/51/89/320925189.db2.gz KFHKKSFXBMLVHS-IAGOWNOFSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC2CCN(C)CC2)([NH+](C)C)C1 ZINC000339636763 320992156 /nfs/dbraw/zinc/99/21/56/320992156.db2.gz OHMKAEGTNIIWTQ-RDTXWAMCSA-N 1 3 338.496 0.824 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000340201926 321020367 /nfs/dbraw/zinc/02/03/67/321020367.db2.gz ADISIPZCEIXJPY-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CN1C1CC1 ZINC000340219365 321024643 /nfs/dbraw/zinc/02/46/43/321024643.db2.gz RWDRKFFLFCZBIQ-KFWWJZLASA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CN1C1CC1 ZINC000340219365 321024645 /nfs/dbraw/zinc/02/46/45/321024645.db2.gz RWDRKFFLFCZBIQ-KFWWJZLASA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340268303 321033272 /nfs/dbraw/zinc/03/32/72/321033272.db2.gz OBYSCRSOJLDGJR-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340268303 321033274 /nfs/dbraw/zinc/03/32/74/321033274.db2.gz OBYSCRSOJLDGJR-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000341989614 321071112 /nfs/dbraw/zinc/07/11/12/321071112.db2.gz DPXFRRMMJSMLSG-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000344346093 321147661 /nfs/dbraw/zinc/14/76/61/321147661.db2.gz LBECEDGKKIVTNR-HNNXBMFYSA-N 1 3 326.485 0.132 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000347120902 321232025 /nfs/dbraw/zinc/23/20/25/321232025.db2.gz ZBFQGPZEXWIPKQ-INIZCTEOSA-N 1 3 331.464 0.969 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000347727189 321248912 /nfs/dbraw/zinc/24/89/12/321248912.db2.gz RRFHZAWHHUYLDF-HOTGVXAUSA-N 1 3 338.496 0.587 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000347727189 321248913 /nfs/dbraw/zinc/24/89/13/321248913.db2.gz RRFHZAWHHUYLDF-HOTGVXAUSA-N 1 3 338.496 0.587 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000347856419 321254838 /nfs/dbraw/zinc/25/48/38/321254838.db2.gz NKIDMTAKKUMCAC-AWEZNQCLSA-N 1 3 348.447 0.633 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000347856419 321254840 /nfs/dbraw/zinc/25/48/40/321254840.db2.gz NKIDMTAKKUMCAC-AWEZNQCLSA-N 1 3 348.447 0.633 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347957438 321259100 /nfs/dbraw/zinc/25/91/00/321259100.db2.gz AUITXVYFYJBYGD-HUUCEWRRSA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347957438 321259101 /nfs/dbraw/zinc/25/91/01/321259101.db2.gz AUITXVYFYJBYGD-HUUCEWRRSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000347979465 321262337 /nfs/dbraw/zinc/26/23/37/321262337.db2.gz QZXGZSWVYKCDRD-OAGGEKHMSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000526912490 322000539 /nfs/dbraw/zinc/00/05/39/322000539.db2.gz VHDCHQOMYNKHHB-PKOBYXMFSA-N 1 3 346.475 0.874 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000526912490 322000540 /nfs/dbraw/zinc/00/05/40/322000540.db2.gz VHDCHQOMYNKHHB-PKOBYXMFSA-N 1 3 346.475 0.874 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000531119343 322035341 /nfs/dbraw/zinc/03/53/41/322035341.db2.gz DCPOGGAUTPAWGT-UHFFFAOYSA-N 1 3 345.447 0.830 20 0 ECADHO O=C(CNC(=O)C12CCCN1CCC2)NCC[NH+]1CCCCCC1 ZINC000554217876 322168689 /nfs/dbraw/zinc/16/86/89/322168689.db2.gz AAOIHFMHLIUDLE-UHFFFAOYSA-N 1 3 336.480 0.723 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCCC[NH+](C)C ZINC000556939971 322200138 /nfs/dbraw/zinc/20/01/38/322200138.db2.gz MOWYOBIXTWKNHP-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000557159157 322204848 /nfs/dbraw/zinc/20/48/48/322204848.db2.gz OFVXBVGJPCVONJ-AWEZNQCLSA-N 1 3 341.500 0.160 20 0 ECADHO C[C@H]1CCC[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000560326562 322233781 /nfs/dbraw/zinc/23/37/81/322233781.db2.gz IDRLXJAEDJNKEM-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCN2CCC1CC2 ZINC000561212201 322256182 /nfs/dbraw/zinc/25/61/82/322256182.db2.gz KFHZUVMYRARSSX-CYBMUJFWSA-N 1 3 349.401 0.312 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000561227149 322257065 /nfs/dbraw/zinc/25/70/65/322257065.db2.gz FQWAPKAXPURTPN-HNNXBMFYSA-N 1 3 346.475 0.739 20 0 ECADHO C[N@H+](CCNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C1CCCC1 ZINC000562797838 322284989 /nfs/dbraw/zinc/28/49/89/322284989.db2.gz NMJOXCLTFYKUQX-MRXNPFEDSA-N 1 3 349.483 0.958 20 0 ECADHO C[N@@H+](CCNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C1CCCC1 ZINC000562797838 322284991 /nfs/dbraw/zinc/28/49/91/322284991.db2.gz NMJOXCLTFYKUQX-MRXNPFEDSA-N 1 3 349.483 0.958 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N(C)CCC[NH3+])c(OCCN(C)C)c1 ZINC000563487859 322322760 /nfs/dbraw/zinc/32/27/60/322322760.db2.gz UDBKUWZNPVAPKO-UHFFFAOYSA-N 1 3 336.436 0.681 20 0 ECADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)Cn1cccn1 ZINC000563881634 322350206 /nfs/dbraw/zinc/35/02/06/322350206.db2.gz LVVSHGAFWLPWNG-IBGZPJMESA-N 1 3 344.459 0.991 20 0 ECADHO [NH3+]CCn1cc(C(=O)NCC2CCN(c3ccncc3)CC2)nn1 ZINC000565251020 322445993 /nfs/dbraw/zinc/44/59/93/322445993.db2.gz VYKKDVHIADCLCY-UHFFFAOYSA-N 1 3 329.408 0.278 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCC2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567469716 322584418 /nfs/dbraw/zinc/58/44/18/322584418.db2.gz YNJMCBQUWYGCMK-OAHLLOKOSA-N 1 3 326.404 0.928 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000567971609 322607895 /nfs/dbraw/zinc/60/78/95/322607895.db2.gz JUUNNHBCWPMJCJ-UHFFFAOYSA-N 1 3 332.408 0.949 20 0 ECADHO N[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H]1c1ccccc1 ZINC000573605503 322764678 /nfs/dbraw/zinc/76/46/78/322764678.db2.gz CGHHMJHCSBXQLO-OWCLPIDISA-N 1 3 340.431 0.597 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)N1CCC(C)CC1 ZINC000578122497 322855155 /nfs/dbraw/zinc/85/51/55/322855155.db2.gz XOKKTDISOYIZPI-QKPAOTATSA-N 1 3 336.480 0.419 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000579691931 322903855 /nfs/dbraw/zinc/90/38/55/322903855.db2.gz ZCJIRDGQNTZHRB-ZBFHGGJFSA-N 1 3 349.483 0.958 20 0 ECADHO CC[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000578738228 517792051 /nfs/dbraw/zinc/79/20/51/517792051.db2.gz VFKLAEJXQHWPMM-LSDHHAIUSA-N 1 3 342.484 0.012 20 0 ECADHO NC(=O)C[C@@H]1CCN(CC2(C[N@@H+]3CC[C@@H](CC(N)=O)C3)CCC2)C1 ZINC000621295432 546499054 /nfs/dbraw/zinc/49/90/54/546499054.db2.gz JHQLQZKBWNFHBD-GJZGRUSLSA-N 1 3 336.480 0.551 20 0 ECADHO NC(=O)C[C@@H]1CCN(CC2(C[N@H+]3CC[C@@H](CC(N)=O)C3)CCC2)C1 ZINC000621295432 546499056 /nfs/dbraw/zinc/49/90/56/546499056.db2.gz JHQLQZKBWNFHBD-GJZGRUSLSA-N 1 3 336.480 0.551 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000623712583 546826607 /nfs/dbraw/zinc/82/66/07/546826607.db2.gz HVAMEBWXDPXJEI-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000623712583 546826612 /nfs/dbraw/zinc/82/66/12/546826612.db2.gz HVAMEBWXDPXJEI-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CC=CCC1 ZINC000625465111 547107933 /nfs/dbraw/zinc/10/79/33/547107933.db2.gz DONAFSFIENFUSU-MRXNPFEDSA-N 1 3 338.496 0.801 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000668499020 547670546 /nfs/dbraw/zinc/67/05/46/547670546.db2.gz ZUNVJSKEOMDBBP-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000668499020 547670549 /nfs/dbraw/zinc/67/05/49/547670549.db2.gz ZUNVJSKEOMDBBP-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCN(CC)C1 ZINC000668544863 547683097 /nfs/dbraw/zinc/68/30/97/547683097.db2.gz LUOOLZWQSDASSY-JYJNAYRXSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCN(CC)C1 ZINC000668544863 547683101 /nfs/dbraw/zinc/68/31/01/547683101.db2.gz LUOOLZWQSDASSY-JYJNAYRXSA-N 1 3 336.480 0.672 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000668634628 547707220 /nfs/dbraw/zinc/70/72/20/547707220.db2.gz AOQVHALYHNPCRP-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668797328 547752570 /nfs/dbraw/zinc/75/25/70/547752570.db2.gz ZYLAUNGLZGPBEX-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668797328 547752575 /nfs/dbraw/zinc/75/25/75/547752575.db2.gz ZYLAUNGLZGPBEX-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000669220572 547853772 /nfs/dbraw/zinc/85/37/72/547853772.db2.gz HXXPMXVEDHNGNL-CQSZACIVSA-N 1 3 326.485 0.824 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000669220572 547853775 /nfs/dbraw/zinc/85/37/75/547853775.db2.gz HXXPMXVEDHNGNL-CQSZACIVSA-N 1 3 326.485 0.824 20 0 ECADHO CN1CCC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000669403414 547886224 /nfs/dbraw/zinc/88/62/24/547886224.db2.gz ZZGJLHIBZKCWLB-ZIAGYGMSSA-N 1 3 325.457 0.110 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(C)C ZINC000670503746 548026621 /nfs/dbraw/zinc/02/66/21/548026621.db2.gz GIBCKOXIHBFWGF-INIZCTEOSA-N 1 3 338.496 0.822 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100086 548091409 /nfs/dbraw/zinc/09/14/09/548091409.db2.gz JVLOXSLHJHHDLB-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100086 548091415 /nfs/dbraw/zinc/09/14/15/548091415.db2.gz JVLOXSLHJHHDLB-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672311947 548309510 /nfs/dbraw/zinc/30/95/10/548309510.db2.gz WGVAPMFFBZGTLL-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672311947 548309514 /nfs/dbraw/zinc/30/95/14/548309514.db2.gz WGVAPMFFBZGTLL-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC(NC(=O)c2ccc(C(=O)NC3CC[NH+](C)CC3)o2)CC1 ZINC000675730323 548759229 /nfs/dbraw/zinc/75/92/29/548759229.db2.gz XRRAJQUZYHPTDR-UHFFFAOYSA-N 1 3 348.447 0.928 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000685310146 549677540 /nfs/dbraw/zinc/67/75/40/549677540.db2.gz AWVLIARRAGGAKB-VRKREXBASA-N 1 3 336.480 0.384 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000685310146 549677542 /nfs/dbraw/zinc/67/75/42/549677542.db2.gz AWVLIARRAGGAKB-VRKREXBASA-N 1 3 336.480 0.384 20 0 ECADHO C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCSC1 ZINC000748627670 579327379 /nfs/dbraw/zinc/32/73/79/579327379.db2.gz LNZAWAGKARWOFI-FMKPAKJESA-N 1 3 342.509 0.586 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793696149 578935247 /nfs/dbraw/zinc/93/52/47/578935247.db2.gz FQQUSHXNICDYMY-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793696149 578935248 /nfs/dbraw/zinc/93/52/48/578935248.db2.gz FQQUSHXNICDYMY-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)N1CCCCC1 ZINC000793700090 578935793 /nfs/dbraw/zinc/93/57/93/578935793.db2.gz LNHTUXCKPWYHBA-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)N1CCCCC1 ZINC000793700090 578935794 /nfs/dbraw/zinc/93/57/94/578935794.db2.gz LNHTUXCKPWYHBA-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CCCCC1 ZINC000793700088 578935840 /nfs/dbraw/zinc/93/58/40/578935840.db2.gz LNHTUXCKPWYHBA-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CCCCC1 ZINC000793700088 578935841 /nfs/dbraw/zinc/93/58/41/578935841.db2.gz LNHTUXCKPWYHBA-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793703746 578936125 /nfs/dbraw/zinc/93/61/25/578936125.db2.gz XBRFBBCCOYUVQP-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793709235 578936532 /nfs/dbraw/zinc/93/65/32/578936532.db2.gz KOFQJSLQWXZBPA-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793709235 578936533 /nfs/dbraw/zinc/93/65/33/578936533.db2.gz KOFQJSLQWXZBPA-OAGGEKHMSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000793722064 578937532 /nfs/dbraw/zinc/93/75/32/578937532.db2.gz UQNLYDCLPKCXRH-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000793722064 578937533 /nfs/dbraw/zinc/93/75/33/578937533.db2.gz UQNLYDCLPKCXRH-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)CCOc1cc(CNC(=S)NCCC[NH+](C)C)ccn1 ZINC000762463698 579542225 /nfs/dbraw/zinc/54/22/25/579542225.db2.gz RZZSDYAOBQDPHK-UHFFFAOYSA-N 1 3 339.509 0.938 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1)N(C)C1CC1 ZINC000841045654 588976652 /nfs/dbraw/zinc/97/66/52/588976652.db2.gz NSKKMTIEVSMFGO-GFCCVEGCSA-N 1 3 334.420 0.562 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000841790740 589001204 /nfs/dbraw/zinc/00/12/04/589001204.db2.gz INSOEODOJBKDAP-IRXDYDNUSA-N 1 3 332.448 0.850 20 0 ECADHO C[C@@]1(CNC(=O)N(CC[NH3+])CCO)CCN(Cc2ccccc2)C1 ZINC000841899127 589004848 /nfs/dbraw/zinc/00/48/48/589004848.db2.gz SNRFWUBQPZMWPK-SFHVURJKSA-N 1 3 334.464 0.861 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)N1CCCCC1 ZINC000842014269 589008348 /nfs/dbraw/zinc/00/83/48/589008348.db2.gz BGRIOZQIKDEKFY-INIZCTEOSA-N 1 3 346.475 0.965 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842199996 589020132 /nfs/dbraw/zinc/02/01/32/589020132.db2.gz BBUCZNQRELRJRF-CRAIPNDOSA-N 1 3 334.464 0.189 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000842201081 589020165 /nfs/dbraw/zinc/02/01/65/589020165.db2.gz HEQAUTQCTWLFDF-KRWDZBQOSA-N 1 3 344.459 0.405 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842218101 589021680 /nfs/dbraw/zinc/02/16/80/589021680.db2.gz HZTCHVROZOFNSJ-KDOFPFPSSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000891463620 586169684 /nfs/dbraw/zinc/16/96/84/586169684.db2.gz FWUANEWRVWSILL-CVEARBPZSA-N 1 3 346.479 0.725 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891673278 586187638 /nfs/dbraw/zinc/18/76/38/586187638.db2.gz JFTBMHSBACHAAH-KBMXLJTQSA-N 1 3 336.480 0.927 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000891726444 586192099 /nfs/dbraw/zinc/19/20/99/586192099.db2.gz LKYCCDXKAJCAFL-GASCZTMLSA-N 1 3 333.436 0.668 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891766618 586195393 /nfs/dbraw/zinc/19/53/93/586195393.db2.gz VFHXRPQDPSFQND-ULQDDVLXSA-N 1 3 330.432 0.509 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000895665957 586197176 /nfs/dbraw/zinc/19/71/76/586197176.db2.gz HPCAGNKIOBCPPC-NUEKZKHPSA-N 1 3 326.485 0.983 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000895665957 586197178 /nfs/dbraw/zinc/19/71/78/586197178.db2.gz HPCAGNKIOBCPPC-NUEKZKHPSA-N 1 3 326.485 0.983 20 0 ECADHO CO[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCS(=O)(=O)C1 ZINC000896682582 586266673 /nfs/dbraw/zinc/26/66/73/586266673.db2.gz MUMUNTQDJYUXSY-INIZCTEOSA-N 1 3 339.461 0.844 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000892481040 586268770 /nfs/dbraw/zinc/26/87/70/586268770.db2.gz LORBIZBSNHAWJP-CABCVRRESA-N 1 3 326.485 0.911 20 0 ECADHO CN(CC[NH+](C)C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000892522862 586271451 /nfs/dbraw/zinc/27/14/51/586271451.db2.gz QQSOVKJYMQLALY-UHFFFAOYSA-N 1 3 331.424 0.429 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C1CN(C2CCOCC2)C1 ZINC000896939372 586278416 /nfs/dbraw/zinc/27/84/16/586278416.db2.gz JGODXANIBDKDNT-MRXNPFEDSA-N 1 3 327.469 0.570 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893103516 586310965 /nfs/dbraw/zinc/31/09/65/586310965.db2.gz OZFGESALLOBTEC-IXDOHACOSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893103516 586310967 /nfs/dbraw/zinc/31/09/67/586310967.db2.gz OZFGESALLOBTEC-IXDOHACOSA-N 1 3 336.480 0.711 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000897514899 586336852 /nfs/dbraw/zinc/33/68/52/586336852.db2.gz CGKNXHSLIYHDFR-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000897514899 586336856 /nfs/dbraw/zinc/33/68/56/586336856.db2.gz CGKNXHSLIYHDFR-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO CC1(C)CC[N@H+](CCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000898586752 586435017 /nfs/dbraw/zinc/43/50/17/586435017.db2.gz QTNAQVINZPLPLL-HZPDHXFCSA-N 1 3 338.496 0.959 20 0 ECADHO CC1(C)CC[N@@H+](CCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000898586752 586435019 /nfs/dbraw/zinc/43/50/19/586435019.db2.gz QTNAQVINZPLPLL-HZPDHXFCSA-N 1 3 338.496 0.959 20 0 ECADHO C[NH+](C)CCn1nccc1N1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000900249517 586533733 /nfs/dbraw/zinc/53/37/33/586533733.db2.gz HKPSGSRLEVXLBA-ZDUSSCGKSA-N 1 3 334.424 0.355 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843263092 589058394 /nfs/dbraw/zinc/05/83/94/589058394.db2.gz VXGFHJRQEHRZLE-AWEZNQCLSA-N 1 3 326.485 0.810 20 0 ECADHO CCO[C@@H](CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)CN(C)C ZINC000900691663 586657201 /nfs/dbraw/zinc/65/72/01/586657201.db2.gz OBYBPBKMUSCBPY-JKSUJKDBSA-N 1 3 329.485 0.863 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000901163218 586699678 /nfs/dbraw/zinc/69/96/78/586699678.db2.gz RWYRQROGUMXZAD-BFYDXBDKSA-N 1 3 349.479 0.768 20 0 ECADHO C[NH+]1CCC(CNC(=S)NC[C@@H]2CCCN2CCCO)CC1 ZINC000840777350 586768763 /nfs/dbraw/zinc/76/87/63/586768763.db2.gz SXLDTTPUQUZVCB-HNNXBMFYSA-N 1 3 328.526 0.639 20 0 ECADHO C[NH+]1CCC(CNC(=S)NC[C@H]2CCCN2CCCO)CC1 ZINC000840777352 586769004 /nfs/dbraw/zinc/76/90/04/586769004.db2.gz SXLDTTPUQUZVCB-OAHLLOKOSA-N 1 3 328.526 0.639 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NCc1ccc(C)cc1)C2 ZINC000903491037 586779457 /nfs/dbraw/zinc/77/94/57/586779457.db2.gz RYSYOHVUWTYRAZ-FCEWJHQRSA-N 1 3 345.443 0.824 20 0 ECADHO CN(C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)S(C)(=O)=O ZINC000903725542 586802116 /nfs/dbraw/zinc/80/21/16/586802116.db2.gz CNTIZEOCVGMTHE-OAHLLOKOSA-N 1 3 345.509 0.501 20 0 ECADHO CC(C)OCCOC[C@H](O)CN(C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903726742 586802241 /nfs/dbraw/zinc/80/22/41/586802241.db2.gz NYZWSWQVANWKJD-IAGOWNOFSA-N 1 3 344.496 0.879 20 0 ECADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000838301392 586803828 /nfs/dbraw/zinc/80/38/28/586803828.db2.gz CYMNGYJRPKSMID-NUJGCVRESA-N 1 3 336.480 0.977 20 0 ECADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000838301392 586803829 /nfs/dbraw/zinc/80/38/29/586803829.db2.gz CYMNGYJRPKSMID-NUJGCVRESA-N 1 3 336.480 0.977 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903759828 586807664 /nfs/dbraw/zinc/80/76/64/586807664.db2.gz QSZFCBZXKZCDQK-FPCVCCKLSA-N 1 3 336.480 0.515 20 0 ECADHO O=C(N1CCOCC1)C1(NC[C@H]2CC3(C[NH2+]C3)CO2)CCCCC1 ZINC000903829761 586818571 /nfs/dbraw/zinc/81/85/71/586818571.db2.gz JQIHZFATHDRLKO-OAHLLOKOSA-N 1 3 337.464 0.516 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000903843049 586819983 /nfs/dbraw/zinc/81/99/83/586819983.db2.gz AXXZNZYCGOFDQW-XHSDSOJGSA-N 1 3 344.463 0.327 20 0 ECADHO CN(C)[S@](C)(=O)=NCC1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000903870431 586821341 /nfs/dbraw/zinc/82/13/41/586821341.db2.gz HAXDFBDDMQQPJM-NPMXOYFQSA-N 1 3 344.525 0.794 20 0 ECADHO CN1CCC[C@H](N2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000903893854 586823575 /nfs/dbraw/zinc/82/35/75/586823575.db2.gz ZWJGMJFLUWQPKB-IRXDYDNUSA-N 1 3 347.511 0.414 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000903898486 586824258 /nfs/dbraw/zinc/82/42/58/586824258.db2.gz NUEPQOQLMFGPTK-HOTGVXAUSA-N 1 3 334.468 0.357 20 0 ECADHO NCc1nnc(-c2ccc(NC(=O)CO[C@H]3CCC[NH2+]C3)cc2)[nH]1 ZINC000843471619 589069507 /nfs/dbraw/zinc/06/95/07/589069507.db2.gz WTGSAMXCKXPHOO-ZDUSSCGKSA-N 1 3 330.392 0.638 20 0 ECADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)CC3(O)CCCC3)C2)CC1 ZINC000905110513 586871289 /nfs/dbraw/zinc/87/12/89/586871289.db2.gz QRUIRVMKCSAMMV-DOTOQJQBSA-N 1 3 325.497 0.801 20 0 ECADHO O[C@H](CNCC1([NH+]2CCCC2)CCOCC1)C1(O)CCOCC1 ZINC000905092486 586872092 /nfs/dbraw/zinc/87/20/92/586872092.db2.gz FLNRJZWXAYOFRS-OAHLLOKOSA-N 1 3 328.453 0.123 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1coc2c1C(=O)NCCC2 ZINC000906581281 586956987 /nfs/dbraw/zinc/95/69/87/586956987.db2.gz VXFYYGLKYADTSR-UHFFFAOYSA-N 1 3 336.436 0.521 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])CN1CCN(C)CC1 ZINC000906650200 586961686 /nfs/dbraw/zinc/96/16/86/586961686.db2.gz JWCOORSZXHVTTD-CQSZACIVSA-N 1 3 347.463 0.084 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccccc1CN ZINC000906677579 586965590 /nfs/dbraw/zinc/96/55/90/586965590.db2.gz FEGOZGUFCHRZMQ-UHFFFAOYSA-N 1 3 335.452 0.084 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000906707434 586969116 /nfs/dbraw/zinc/96/91/16/586969116.db2.gz UPASKNYJSQGEQK-HNNXBMFYSA-N 1 3 348.447 0.680 20 0 ECADHO O=C(C[C@@H]1CSCC[NH2+]1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000844169596 589097802 /nfs/dbraw/zinc/09/78/02/589097802.db2.gz ANGDTFVUHVKYBE-HUUCEWRRSA-N 1 3 327.494 0.841 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000817995900 587395847 /nfs/dbraw/zinc/39/58/47/587395847.db2.gz HIEBJEOAYPXCSY-SJORKVTESA-N 1 3 344.459 0.527 20 0 ECADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818987391 587463597 /nfs/dbraw/zinc/46/35/97/587463597.db2.gz XAZXLYBFCPASGE-ZQIUZPCESA-N 1 3 343.468 0.715 20 0 ECADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818987391 587463598 /nfs/dbraw/zinc/46/35/98/587463598.db2.gz XAZXLYBFCPASGE-ZQIUZPCESA-N 1 3 343.468 0.715 20 0 ECADHO CCN1CCN(CCC(=O)Nc2cnn(C3CC[NH2+]CC3)c2)CC1 ZINC000844194352 589102377 /nfs/dbraw/zinc/10/23/77/589102377.db2.gz FHAUVMCGQAPAGO-UHFFFAOYSA-N 1 3 334.468 0.774 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C)C[C@H]1C ZINC000820080668 587507986 /nfs/dbraw/zinc/50/79/86/587507986.db2.gz IBBWILIYARHOKL-UONOGXRCSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C)C[C@H]1C ZINC000820080668 587507988 /nfs/dbraw/zinc/50/79/88/587507988.db2.gz IBBWILIYARHOKL-UONOGXRCSA-N 1 3 327.473 0.131 20 0 ECADHO CCn1nc(C)c(CNC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000824708639 587889483 /nfs/dbraw/zinc/88/94/83/587889483.db2.gz SOFJGCJSAOCZJP-UHFFFAOYSA-N 1 3 325.461 0.241 20 0 ECADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000826823305 588085391 /nfs/dbraw/zinc/08/53/91/588085391.db2.gz ZVRBJBQHKCJCEU-GJZGRUSLSA-N 1 3 341.500 0.868 20 0 ECADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000826823305 588085393 /nfs/dbraw/zinc/08/53/93/588085393.db2.gz ZVRBJBQHKCJCEU-GJZGRUSLSA-N 1 3 341.500 0.868 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000827319299 588112393 /nfs/dbraw/zinc/11/23/93/588112393.db2.gz BIYDBPSUIROYKD-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000827319299 588112394 /nfs/dbraw/zinc/11/23/94/588112394.db2.gz BIYDBPSUIROYKD-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO O[C@H]1COCCN(CCCCCCCC[N@@H+]2CCOC[C@H](O)C2)C1 ZINC000830633750 588379754 /nfs/dbraw/zinc/37/97/54/588379754.db2.gz YWXKGKNCLQTODM-QZTJIDSGSA-N 1 3 344.496 0.713 20 0 ECADHO O[C@H]1COCCN(CCCCCCCC[N@H+]2CCOC[C@H](O)C2)C1 ZINC000830633750 588379755 /nfs/dbraw/zinc/37/97/55/588379755.db2.gz YWXKGKNCLQTODM-QZTJIDSGSA-N 1 3 344.496 0.713 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)C[C@H]1C[NH3+] ZINC000846177229 589190312 /nfs/dbraw/zinc/19/03/12/589190312.db2.gz MRTZSSQNUQLMEQ-DJIMGWMZSA-N 1 3 332.448 0.879 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)[C@@H](C)O)CC2)CC1 ZINC000848386190 589292352 /nfs/dbraw/zinc/29/23/52/589292352.db2.gz ILMZDCPMDXZZQG-CZUORRHYSA-N 1 3 327.469 0.041 20 0 ECADHO C[C@H]1CN(C(=[NH2+])NCc2ccccc2CN2CC[C@H](O)C2)CCO1 ZINC000849093646 589319783 /nfs/dbraw/zinc/31/97/83/589319783.db2.gz DCLDFPYMNDTAFL-YOEHRIQHSA-N 1 3 332.448 0.998 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(C2CC[NH2+]CC2)no1 ZINC000852799563 589512598 /nfs/dbraw/zinc/51/25/98/589512598.db2.gz UFFGXHUDAGBRLJ-ZIAGYGMSSA-N 1 3 334.420 0.735 20 0 ECADHO [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)=NO1 ZINC000852887369 589522187 /nfs/dbraw/zinc/52/21/87/589522187.db2.gz LYOHGCGESACFFX-JKSUJKDBSA-N 1 3 346.431 0.497 20 0 ECADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852907644 589524462 /nfs/dbraw/zinc/52/44/62/589524462.db2.gz ODEFFCYANXUCCL-CVEARBPZSA-N 1 3 330.432 0.865 20 0 ECADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852907644 589524464 /nfs/dbraw/zinc/52/44/64/589524464.db2.gz ODEFFCYANXUCCL-CVEARBPZSA-N 1 3 330.432 0.865 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000852917475 589525883 /nfs/dbraw/zinc/52/58/83/589525883.db2.gz MDOMEBARAZMLIP-UHFFFAOYSA-N 1 3 334.464 0.427 20 0 ECADHO CN(C)C[C@@H](CO)NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000854463713 589587518 /nfs/dbraw/zinc/58/75/18/589587518.db2.gz FDURBJQUARBDDL-JCVNQNCUSA-N 1 3 335.448 0.679 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000857107439 589686920 /nfs/dbraw/zinc/68/69/20/589686920.db2.gz VOPFSAJWQQCVAK-UONOGXRCSA-N 1 3 349.483 0.446 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCC1 ZINC000867592002 589811310 /nfs/dbraw/zinc/81/13/10/589811310.db2.gz MNBIYNGNYDAACD-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCC1 ZINC000867592002 589811311 /nfs/dbraw/zinc/81/13/11/589811311.db2.gz MNBIYNGNYDAACD-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO COCCC1(NC(=O)Nc2ccnn2CCN(C)C)CC[NH2+]CC1 ZINC000868161089 589877132 /nfs/dbraw/zinc/87/71/32/589877132.db2.gz OEXNSGXKYYULRB-UHFFFAOYSA-N 1 3 338.456 0.725 20 0 ECADHO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)ccc1OCCN(C)C ZINC000868303890 589890607 /nfs/dbraw/zinc/89/06/07/589890607.db2.gz RWWPQKJOOBFTJJ-OKILXGFUSA-N 1 3 348.447 0.727 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3COCO3)CC2)CC1 ZINC000861978048 589909251 /nfs/dbraw/zinc/90/92/51/589909251.db2.gz ULLOISKGFQKENN-INIZCTEOSA-N 1 3 325.453 0.672 20 0 ECADHO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCCN2CC[C@@H](O)C2)cc1 ZINC000863320308 590002607 /nfs/dbraw/zinc/00/26/07/590002607.db2.gz ARUHJMNGHMEZMH-ZGRWHYIRSA-N 1 3 347.459 0.823 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000863755606 590034757 /nfs/dbraw/zinc/03/47/57/590034757.db2.gz VOIVNECJGMHKDU-HNNXBMFYSA-N 1 3 334.464 0.691 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872191823 590101446 /nfs/dbraw/zinc/10/14/46/590101446.db2.gz AFFKUSXNGADTNR-JTOWHCCKSA-N 1 3 334.464 0.140 20 0 ECADHO CN(CCN)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872196428 590102962 /nfs/dbraw/zinc/10/29/62/590102962.db2.gz QDDXBZCXYWFPBI-QFBILLFUSA-N 1 3 344.459 0.384 20 0 ECADHO CN(CCN)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872196428 590102964 /nfs/dbraw/zinc/10/29/64/590102964.db2.gz QDDXBZCXYWFPBI-QFBILLFUSA-N 1 3 344.459 0.384 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC[NH+](C)CC1 ZINC000865094849 590124791 /nfs/dbraw/zinc/12/47/91/590124791.db2.gz IAECZGGWXMTHDY-AWEZNQCLSA-N 1 3 342.484 0.899 20 0 ECADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000873111230 590184141 /nfs/dbraw/zinc/18/41/41/590184141.db2.gz IMKGFAIGYHAOJY-JKSUJKDBSA-N 1 3 328.416 0.923 20 0 ECADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250107 590187305 /nfs/dbraw/zinc/18/73/05/590187305.db2.gz PCTQQOAYUKPORZ-MAZHCROVSA-N 1 3 346.431 0.580 20 0 ECADHO O=C1COC[C@]2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)COCCN12 ZINC000873266783 590187494 /nfs/dbraw/zinc/18/74/94/590187494.db2.gz QKBPGMAPGAXGBX-HPFXQQBRSA-N 1 3 337.464 0.515 20 0 ECADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000873262050 590187508 /nfs/dbraw/zinc/18/75/08/590187508.db2.gz ISCQLGQUWQKGTB-VBNZEHGJSA-N 1 3 341.477 0.479 20 0 ECADHO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1 ZINC000873262050 590187509 /nfs/dbraw/zinc/18/75/09/590187509.db2.gz ISCQLGQUWQKGTB-VBNZEHGJSA-N 1 3 341.477 0.479 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CCCCC1 ZINC000875106658 590271900 /nfs/dbraw/zinc/27/19/00/590271900.db2.gz IGRVPXPPWJQOLU-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CCCCC1 ZINC000875106658 590271901 /nfs/dbraw/zinc/27/19/01/590271901.db2.gz IGRVPXPPWJQOLU-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875112092 590272251 /nfs/dbraw/zinc/27/22/51/590272251.db2.gz DFOBZDQBEFSTOL-AWEZNQCLSA-N 1 3 326.485 0.776 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875142794 590275305 /nfs/dbraw/zinc/27/53/05/590275305.db2.gz RKPHTUPRCMHQNM-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875142794 590275306 /nfs/dbraw/zinc/27/53/06/590275306.db2.gz RKPHTUPRCMHQNM-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875220665 590283228 /nfs/dbraw/zinc/28/32/28/590283228.db2.gz SHRWNACKZIIHFI-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000875220665 590283230 /nfs/dbraw/zinc/28/32/30/590283230.db2.gz SHRWNACKZIIHFI-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875330654 590293529 /nfs/dbraw/zinc/29/35/29/590293529.db2.gz NWBWQCUJPYMRPZ-HIFRSBDPSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875330654 590293530 /nfs/dbraw/zinc/29/35/30/590293530.db2.gz NWBWQCUJPYMRPZ-HIFRSBDPSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](C[S@@](C)=O)NC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000875486683 590305368 /nfs/dbraw/zinc/30/53/68/590305368.db2.gz YDHNJQLZOPHBAI-OBVGMLEUSA-N 1 3 332.514 0.134 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000875712199 590323556 /nfs/dbraw/zinc/32/35/56/590323556.db2.gz CRXKVVDTYROVAP-YHPRMOQLSA-N 1 3 338.496 0.981 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000875712199 590323558 /nfs/dbraw/zinc/32/35/58/590323558.db2.gz CRXKVVDTYROVAP-YHPRMOQLSA-N 1 3 338.496 0.981 20 0 ECADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000876743337 590407285 /nfs/dbraw/zinc/40/72/85/590407285.db2.gz CMVSIWVBDWQABH-BZUAXINKSA-N 1 3 347.463 0.709 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000876740403 590407443 /nfs/dbraw/zinc/40/74/43/590407443.db2.gz MHSIRCYEVFTBBL-HOTGVXAUSA-N 1 3 346.475 0.968 20 0 ECADHO CC(C)[C@H](C(=O)NCc1cccc(-n2cc(CN)nn2)c1)[NH+](C)C ZINC000877207376 590445247 /nfs/dbraw/zinc/44/52/47/590445247.db2.gz UQRYMZOUVZBNOD-MRXNPFEDSA-N 1 3 330.436 0.928 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000877339968 590459036 /nfs/dbraw/zinc/45/90/36/590459036.db2.gz DNSYSBQDGGEKGP-CVEARBPZSA-N 1 3 340.431 0.647 20 0 ECADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000877450777 590465903 /nfs/dbraw/zinc/46/59/03/590465903.db2.gz DZQCQUZLMQMHCU-CWRNSKLLSA-N 1 3 332.452 0.901 20 0 ECADHO C[NH+]1CCC(NC(=O)CN2CCC[C@H](C3(C)OCCO3)C2)CC1 ZINC000878407697 590519757 /nfs/dbraw/zinc/51/97/57/590519757.db2.gz YJJYDVRDIDERFA-AWEZNQCLSA-N 1 3 325.453 0.672 20 0 ECADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)CC(C)(C)O)CC2)CC1 ZINC000878427281 590520991 /nfs/dbraw/zinc/52/09/91/590520991.db2.gz KTCOZBHSDZMQOP-INIZCTEOSA-N 1 3 327.513 0.858 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884875694 590638812 /nfs/dbraw/zinc/63/88/12/590638812.db2.gz JOUCVZBKCGFROV-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000883641869 590638953 /nfs/dbraw/zinc/63/89/53/590638953.db2.gz YIZDSKWZCOYDFO-CQSZACIVSA-N 1 3 333.436 0.187 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC000883643647 590639572 /nfs/dbraw/zinc/63/95/72/590639572.db2.gz QPGIANMFQQBEGN-GJZGRUSLSA-N 1 3 345.447 0.329 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884544 590641517 /nfs/dbraw/zinc/64/15/17/590641517.db2.gz DDVWLGDHOQKSEV-LSDHHAIUSA-N 1 3 338.496 0.822 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884970728 590657366 /nfs/dbraw/zinc/65/73/66/590657366.db2.gz QYLLNRVKHZPDPA-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967419 590657599 /nfs/dbraw/zinc/65/75/99/590657599.db2.gz FIVDYAXOIJDCMK-OAHLLOKOSA-N 1 3 340.512 0.927 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971003 590658525 /nfs/dbraw/zinc/65/85/25/590658525.db2.gz XYCDKAAFJGLLES-AWEZNQCLSA-N 1 3 326.485 0.679 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884193250 590769163 /nfs/dbraw/zinc/76/91/63/590769163.db2.gz ZZEUTSXRQDLEFS-UHFFFAOYSA-N 1 3 335.452 0.189 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884193250 590769167 /nfs/dbraw/zinc/76/91/67/590769167.db2.gz ZZEUTSXRQDLEFS-UHFFFAOYSA-N 1 3 335.452 0.189 20 0 ECADHO CN(C)CCn1ccc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)n1 ZINC000884207804 590775174 /nfs/dbraw/zinc/77/51/74/590775174.db2.gz GSCTUIBXMSCKGI-UHFFFAOYSA-N 1 3 343.435 0.502 20 0 ECADHO C[NH2+]CCOc1ccccc1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000884235314 590785876 /nfs/dbraw/zinc/78/58/76/590785876.db2.gz RJELAEUBNMGNTI-MRXNPFEDSA-N 1 3 348.491 0.898 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884314422 590802847 /nfs/dbraw/zinc/80/28/47/590802847.db2.gz JDZYAJLVIWYZSG-GDBMZVCRSA-N 1 3 331.464 0.903 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884314422 590802852 /nfs/dbraw/zinc/80/28/52/590802852.db2.gz JDZYAJLVIWYZSG-GDBMZVCRSA-N 1 3 331.464 0.903 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000884566233 590858909 /nfs/dbraw/zinc/85/89/09/590858909.db2.gz DTUITSPSLBTHNW-BBRMVZONSA-N 1 3 344.459 0.150 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884576843 590861646 /nfs/dbraw/zinc/86/16/46/590861646.db2.gz RTDSYBZXHWPKNO-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884601458 590867861 /nfs/dbraw/zinc/86/78/61/590867861.db2.gz LWJQQQQXEAQRIN-YJBOKZPZSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000884632516 590879440 /nfs/dbraw/zinc/87/94/40/590879440.db2.gz PCCLZWGMPMSIKD-HIFRSBDPSA-N 1 3 345.447 0.362 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884692376 590899259 /nfs/dbraw/zinc/89/92/59/590899259.db2.gz VDEVWHPISHWSIZ-LSDHHAIUSA-N 1 3 345.447 0.235 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884704660 590902842 /nfs/dbraw/zinc/90/28/42/590902842.db2.gz ONEYHWXJLMMSOP-IJEWVQPXSA-N 1 3 332.448 0.334 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884704660 590902847 /nfs/dbraw/zinc/90/28/47/590902847.db2.gz ONEYHWXJLMMSOP-IJEWVQPXSA-N 1 3 332.448 0.334 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884704658 590902966 /nfs/dbraw/zinc/90/29/66/590902966.db2.gz ONEYHWXJLMMSOP-FMKPAKJESA-N 1 3 332.448 0.334 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884704658 590902970 /nfs/dbraw/zinc/90/29/70/590902970.db2.gz ONEYHWXJLMMSOP-FMKPAKJESA-N 1 3 332.448 0.334 20 0 ECADHO O=S(=O)(CCCN1CCCC1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886899175 590904563 /nfs/dbraw/zinc/90/45/63/590904563.db2.gz DJMXLOCQSZHDBG-GFCCVEGCSA-N 1 3 325.425 0.637 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884717732 590906992 /nfs/dbraw/zinc/90/69/92/590906992.db2.gz KHIBCXAKHJEMAJ-IIAWOOMASA-N 1 3 345.447 0.233 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884720141 590908337 /nfs/dbraw/zinc/90/83/37/590908337.db2.gz GWADOSOTBQADOM-IIAWOOMASA-N 1 3 345.447 0.233 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884722729 590910284 /nfs/dbraw/zinc/91/02/84/590910284.db2.gz JEABYOVONALRCH-KGLIPLIRSA-N 1 3 333.436 0.233 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000884776675 590920052 /nfs/dbraw/zinc/92/00/52/590920052.db2.gz XRKUKVNZXZGOJS-LSDHHAIUSA-N 1 3 336.480 0.849 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000884776219 590920334 /nfs/dbraw/zinc/92/03/34/590920334.db2.gz PGACYGCYXSZKHT-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2CC1)N(C)C ZINC000946642933 611383512 /nfs/dbraw/zinc/38/35/12/611383512.db2.gz WRVABGNKRMKVAC-OWCLPIDISA-N 1 3 338.496 0.585 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2CC1)N(C)C ZINC000946642933 611383516 /nfs/dbraw/zinc/38/35/16/611383516.db2.gz WRVABGNKRMKVAC-OWCLPIDISA-N 1 3 338.496 0.585 20 0 ECADHO CC[N@H+](CCCNS(=O)(=O)N1CCNCC1)C1CCCCC1 ZINC000923653132 611336534 /nfs/dbraw/zinc/33/65/34/611336534.db2.gz XCHNDCHAYFILSE-UHFFFAOYSA-N 1 3 332.514 0.771 20 0 ECADHO CC[N@@H+](CCCNS(=O)(=O)N1CCNCC1)C1CCCCC1 ZINC000923653132 611336535 /nfs/dbraw/zinc/33/65/35/611336535.db2.gz XCHNDCHAYFILSE-UHFFFAOYSA-N 1 3 332.514 0.771 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2CC1)N(C)C ZINC000946784616 611476485 /nfs/dbraw/zinc/47/64/85/611476485.db2.gz OPNZSPLBRBIKNP-UXLLHSPISA-N 1 3 348.495 0.826 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]2CC1)N(C)C ZINC000946784616 611476487 /nfs/dbraw/zinc/47/64/87/611476487.db2.gz OPNZSPLBRBIKNP-UXLLHSPISA-N 1 3 348.495 0.826 20 0 ECADHO C[C@@H]1OCCO[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000931217092 611520323 /nfs/dbraw/zinc/52/03/23/611520323.db2.gz LQHXFKHGIZSMFL-BBRMVZONSA-N 1 3 325.453 0.465 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000927926795 611659979 /nfs/dbraw/zinc/65/99/79/611659979.db2.gz IMUNPBJNIZOOQY-OCCSQVGLSA-N 1 3 348.447 0.939 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933846477 608777473 /nfs/dbraw/zinc/77/74/73/608777473.db2.gz CNRVZIRZGPHEEG-HNNXBMFYSA-N 1 3 338.496 0.635 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933846477 608777476 /nfs/dbraw/zinc/77/74/76/608777476.db2.gz CNRVZIRZGPHEEG-HNNXBMFYSA-N 1 3 338.496 0.635 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000909396553 608834860 /nfs/dbraw/zinc/83/48/60/608834860.db2.gz HBZNFRGYWKWTNF-GOSISDBHSA-N 1 3 340.512 0.366 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000909396553 608834862 /nfs/dbraw/zinc/83/48/62/608834862.db2.gz HBZNFRGYWKWTNF-GOSISDBHSA-N 1 3 340.512 0.366 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000936280596 609050102 /nfs/dbraw/zinc/05/01/02/609050102.db2.gz PAYMDRGDWRWDSP-HIFRSBDPSA-N 1 3 331.420 0.011 20 0 ECADHO CCO[C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)C[NH+](C)C ZINC000926847430 609061724 /nfs/dbraw/zinc/06/17/24/609061724.db2.gz ULLWTSFRQXEEFX-LSDHHAIUSA-N 1 3 330.473 0.099 20 0 ECADHO CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000936082918 609070064 /nfs/dbraw/zinc/07/00/64/609070064.db2.gz JIHCJJAFDGWAOL-MRXNPFEDSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000910596861 609737252 /nfs/dbraw/zinc/73/72/52/609737252.db2.gz JOGWYFSUGNZYPJ-UHFFFAOYSA-N 1 3 340.512 0.975 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000910662766 609744457 /nfs/dbraw/zinc/74/44/57/609744457.db2.gz KAHNEJZAITYKSZ-CABCVRRESA-N 1 3 338.496 0.728 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000910962362 609783364 /nfs/dbraw/zinc/78/33/64/609783364.db2.gz KEOROMHXRNGFPF-BZUAXINKSA-N 1 3 332.448 0.129 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)N1CCCCC1 ZINC000910946842 609784871 /nfs/dbraw/zinc/78/48/71/609784871.db2.gz QHICUACSBYOWJS-MAUKXSAKSA-N 1 3 336.480 0.722 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000910972144 609786180 /nfs/dbraw/zinc/78/61/80/609786180.db2.gz QSNAZBKCSRJWBK-BZUAXINKSA-N 1 3 332.448 0.129 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000911214599 609826835 /nfs/dbraw/zinc/82/68/35/609826835.db2.gz IMGUOHNSUUDKEJ-XJNFMUPTSA-N 1 3 342.443 0.470 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000911214599 609826837 /nfs/dbraw/zinc/82/68/37/609826837.db2.gz IMGUOHNSUUDKEJ-XJNFMUPTSA-N 1 3 342.443 0.470 20 0 ECADHO CN1CC[C@@H]1CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000914034442 609845639 /nfs/dbraw/zinc/84/56/39/609845639.db2.gz ZYMRMVMGWPVSRX-OAHLLOKOSA-N 1 3 332.452 0.337 20 0 ECADHO CN1CCN(c2cc(CNC(=O)NC[C@H]3CC[N@@H+]3C)ccn2)CC1 ZINC000914034442 609845640 /nfs/dbraw/zinc/84/56/40/609845640.db2.gz ZYMRMVMGWPVSRX-OAHLLOKOSA-N 1 3 332.452 0.337 20 0 ECADHO CN1CCN(c2cc(CNC(=O)NC[C@H]3CC[N@H+]3C)ccn2)CC1 ZINC000914034442 609845642 /nfs/dbraw/zinc/84/56/42/609845642.db2.gz ZYMRMVMGWPVSRX-OAHLLOKOSA-N 1 3 332.452 0.337 20 0 ECADHO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000911528724 609885839 /nfs/dbraw/zinc/88/58/39/609885839.db2.gz QJXFTRLKKLCTPI-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911516050 609889224 /nfs/dbraw/zinc/88/92/24/609889224.db2.gz HWUDCKYRZQRQMH-USXIJHARSA-N 1 3 344.459 0.670 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911519175 609890850 /nfs/dbraw/zinc/89/08/50/609890850.db2.gz GIKZTBUUDRNYDF-AWEZNQCLSA-N 1 3 336.436 0.284 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911536557 609895712 /nfs/dbraw/zinc/89/57/12/609895712.db2.gz NFQVOWZYGAVHKO-NWANDNLSSA-N 1 3 334.420 0.179 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000938913155 610040703 /nfs/dbraw/zinc/04/07/03/610040703.db2.gz DZTBBPYYZYMKDO-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO COc1coc(C[NH2+][C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2C)cc1=O ZINC000939760581 610119836 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CCN(CC)CC(=O)NCCC1(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001167480499 734821146 /nfs/dbraw/zinc/82/11/46/734821146.db2.gz HVTCPFKKAWEPNU-UHFFFAOYSA-N 1 3 333.498 0.249 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC000971685987 734951269 /nfs/dbraw/zinc/95/12/69/734951269.db2.gz PZZPYFHBXHMCJO-IAGOWNOFSA-N 1 3 348.495 0.768 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC000971685987 734951272 /nfs/dbraw/zinc/95/12/72/734951272.db2.gz PZZPYFHBXHMCJO-IAGOWNOFSA-N 1 3 348.495 0.768 20 0 ECADHO CO[C@@H](C)C[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562310 735560371 /nfs/dbraw/zinc/56/03/71/735560371.db2.gz WIUYVXURTFYQGW-HNNXBMFYSA-N 1 3 327.469 0.402 20 0 ECADHO CO[C@@H](C)C[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562310 735560373 /nfs/dbraw/zinc/56/03/73/735560373.db2.gz WIUYVXURTFYQGW-HNNXBMFYSA-N 1 3 327.469 0.402 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC000972189147 735766425 /nfs/dbraw/zinc/76/64/25/735766425.db2.gz MEOIMGNDSOQKAT-KBPBESRZSA-N 1 3 334.420 0.376 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC000972189147 735766427 /nfs/dbraw/zinc/76/64/27/735766427.db2.gz MEOIMGNDSOQKAT-KBPBESRZSA-N 1 3 334.420 0.376 20 0 ECADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCCCN2C(C)C)C1=O ZINC001167635692 736186828 /nfs/dbraw/zinc/18/68/28/736186828.db2.gz NOCGGRZWIBERID-CVEARBPZSA-N 1 3 338.496 0.966 20 0 ECADHO COc1cc(CN[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)sn1 ZINC001022981406 736357365 /nfs/dbraw/zinc/35/73/65/736357365.db2.gz NPWVAPTUBVRRRR-TXEJJXNPSA-N 1 3 336.461 0.984 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001023024843 736408389 /nfs/dbraw/zinc/40/83/89/736408389.db2.gz IUMTZYOUSHPEFL-OKILXGFUSA-N 1 3 329.404 0.396 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001023130859 736526043 /nfs/dbraw/zinc/52/60/43/736526043.db2.gz JIWSLSYEARRHDT-XUWVNRHRSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001067462244 737305981 /nfs/dbraw/zinc/30/59/81/737305981.db2.gz FRPQMZWHUGQBCT-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067462244 737305985 /nfs/dbraw/zinc/30/59/85/737305985.db2.gz FRPQMZWHUGQBCT-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001087256820 737409993 /nfs/dbraw/zinc/40/99/93/737409993.db2.gz MQUNDLHRRANESA-KGLIPLIRSA-N 1 3 349.435 0.160 20 0 ECADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001087256820 737409995 /nfs/dbraw/zinc/40/99/95/737409995.db2.gz MQUNDLHRRANESA-KGLIPLIRSA-N 1 3 349.435 0.160 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972733082 737567225 /nfs/dbraw/zinc/56/72/25/737567225.db2.gz OUNVFHBWARSNKC-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972733082 737567228 /nfs/dbraw/zinc/56/72/28/737567228.db2.gz OUNVFHBWARSNKC-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001024017513 737620885 /nfs/dbraw/zinc/62/08/85/737620885.db2.gz FQICZNAKIKNKQO-AWEZNQCLSA-N 1 3 334.468 0.628 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001024018342 737623845 /nfs/dbraw/zinc/62/38/45/737623845.db2.gz MVBJPDOTOMRYKC-CZUORRHYSA-N 1 3 334.468 0.484 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)n1 ZINC001087261045 737673401 /nfs/dbraw/zinc/67/34/01/737673401.db2.gz PWQAGQBFGAVGCL-ZIAGYGMSSA-N 1 3 333.436 0.925 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)n1 ZINC001087261045 737673403 /nfs/dbraw/zinc/67/34/03/737673403.db2.gz PWQAGQBFGAVGCL-ZIAGYGMSSA-N 1 3 333.436 0.925 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001024157316 737788316 /nfs/dbraw/zinc/78/83/16/737788316.db2.gz ZBIGRQRUQVCYNL-JKSUJKDBSA-N 1 3 348.495 0.968 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001024211652 737815858 /nfs/dbraw/zinc/81/58/58/737815858.db2.gz FQXOEDSYIGDMNK-JKSUJKDBSA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@@H](C(=O)N1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001006456264 751404629 /nfs/dbraw/zinc/40/46/29/751404629.db2.gz KTJCMUHIWVYBNT-ZFWWWQNUSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)N(C)C ZINC001104732515 739569191 /nfs/dbraw/zinc/56/91/91/739569191.db2.gz WWGUIVSZWJUTIK-MGPQQGTHSA-N 1 3 335.452 0.503 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000982012567 751462287 /nfs/dbraw/zinc/46/22/87/751462287.db2.gz ACJLJCCQBSKEMC-CVEARBPZSA-N 1 3 346.479 0.400 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000982012567 751462291 /nfs/dbraw/zinc/46/22/91/751462291.db2.gz ACJLJCCQBSKEMC-CVEARBPZSA-N 1 3 346.479 0.400 20 0 ECADHO N=C(NCCCC[NH3+])Nc1ccc(S(=O)(=O)NCC2CC2)cn1 ZINC001167881218 751526784 /nfs/dbraw/zinc/52/67/84/751526784.db2.gz YFCLKTWLOZDFIG-UHFFFAOYSA-N 1 3 340.453 0.445 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001104810002 740543802 /nfs/dbraw/zinc/54/38/02/740543802.db2.gz UYKNTIRGCAFIDB-HUUCEWRRSA-N 1 3 326.485 0.491 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C1 ZINC001104936155 740968827 /nfs/dbraw/zinc/96/88/27/740968827.db2.gz GNIIYMLBUAQCDK-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO Cn1cnnc1CN[C@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001026347819 740981230 /nfs/dbraw/zinc/98/12/30/740981230.db2.gz ALCRSVCYACJOEH-JYJNAYRXSA-N 1 3 346.479 0.484 20 0 ECADHO Cn1ncc(CN[C@@H]2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)n1 ZINC001026400409 741234716 /nfs/dbraw/zinc/23/47/16/741234716.db2.gz JHAVZIZMZNXANU-CWRNSKLLSA-N 1 3 344.463 0.238 20 0 ECADHO Cn1ccc(CN[C@@H]2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)n1 ZINC001026400264 741239286 /nfs/dbraw/zinc/23/92/86/741239286.db2.gz HAWPLUCQMMUDIE-USXIJHARSA-N 1 3 343.475 0.843 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327285 741813697 /nfs/dbraw/zinc/81/36/97/741813697.db2.gz ZHKOQBQXSXSQGM-XJKSGUPXSA-N 1 3 334.468 0.605 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327285 741813704 /nfs/dbraw/zinc/81/37/04/741813704.db2.gz ZHKOQBQXSXSQGM-XJKSGUPXSA-N 1 3 334.468 0.605 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026890603 742032431 /nfs/dbraw/zinc/03/24/31/742032431.db2.gz MACPYRYPSVIZPG-AWEZNQCLSA-N 1 3 334.468 0.720 20 0 ECADHO CCc1nnc(CNC[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1C ZINC001026887888 742044534 /nfs/dbraw/zinc/04/45/34/742044534.db2.gz XFMFSFHFIUQKPH-DYVFJYSZSA-N 1 3 348.495 0.656 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001027069455 742426823 /nfs/dbraw/zinc/42/68/23/742426823.db2.gz UGNSQGAPBKQLER-HOTGVXAUSA-N 1 3 334.464 0.664 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001027062709 742429582 /nfs/dbraw/zinc/42/95/82/742429582.db2.gz AFDNWRBJBJANIP-WBVHZDCISA-N 1 3 346.475 0.808 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)nn1 ZINC001027064757 742434599 /nfs/dbraw/zinc/43/45/99/742434599.db2.gz KBZQYXSXHRHCIE-HUUCEWRRSA-N 1 3 347.463 0.765 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1)N(C)C ZINC000996959436 743074128 /nfs/dbraw/zinc/07/41/28/743074128.db2.gz APOHJQOGDMSIBU-OAHLLOKOSA-N 1 3 339.484 0.178 20 0 ECADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1)C(N)=O ZINC000996996950 743108375 /nfs/dbraw/zinc/10/83/75/743108375.db2.gz AVSOUQHLRXNIGE-YVEFUNNKSA-N 1 3 342.459 0.653 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCNC(=O)CC2)CC1)N(C)C ZINC000997016045 743135376 /nfs/dbraw/zinc/13/53/76/743135376.db2.gz SPTFSRYULXNCLJ-ZBFHGGJFSA-N 1 3 338.496 0.824 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027215483 743186785 /nfs/dbraw/zinc/18/67/85/743186785.db2.gz JKVRGGOIXAGOIP-UONOGXRCSA-N 1 3 333.436 0.375 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027215483 743186788 /nfs/dbraw/zinc/18/67/88/743186788.db2.gz JKVRGGOIXAGOIP-UONOGXRCSA-N 1 3 333.436 0.375 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001027218072 743195620 /nfs/dbraw/zinc/19/56/20/743195620.db2.gz XDYNUPOVBMHQRW-CQSZACIVSA-N 1 3 333.436 0.519 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300757 743463741 /nfs/dbraw/zinc/46/37/41/743463741.db2.gz WZJPWBFFVQXYGE-ZDUSSCGKSA-N 1 3 333.436 0.518 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300757 743463744 /nfs/dbraw/zinc/46/37/44/743463744.db2.gz WZJPWBFFVQXYGE-ZDUSSCGKSA-N 1 3 333.436 0.518 20 0 ECADHO NC(=O)c1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000997306636 743469621 /nfs/dbraw/zinc/46/96/21/743469621.db2.gz HGKZQTJALYUKQJ-UHFFFAOYSA-N 1 3 344.459 0.962 20 0 ECADHO CCN(CC)C[C@H](F)C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115559556 743527290 /nfs/dbraw/zinc/52/72/90/743527290.db2.gz AUAARCQNZGXCJV-ZDUSSCGKSA-N 1 3 330.448 0.560 20 0 ECADHO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1)C(N)=O ZINC000997357715 743530264 /nfs/dbraw/zinc/53/02/64/743530264.db2.gz XLDJSSSRAMDFAF-CYBMUJFWSA-N 1 3 332.448 0.816 20 0 ECADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001020587359 751848103 /nfs/dbraw/zinc/84/81/03/751848103.db2.gz BTVSCKNPLRFEOR-ZFRZLUBXSA-N 1 3 342.459 0.700 20 0 ECADHO COc1nccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000997606483 743705693 /nfs/dbraw/zinc/70/56/93/743705693.db2.gz LJSOCEMALDCMGQ-INIZCTEOSA-N 1 3 347.463 0.908 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H]1C)N(C)C ZINC001020592202 751862190 /nfs/dbraw/zinc/86/21/90/751862190.db2.gz SHVHKCWRLJGGCM-LEOABGAYSA-N 1 3 338.496 0.772 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H]1C)N(C)C ZINC001020592202 751862201 /nfs/dbraw/zinc/86/22/01/751862201.db2.gz SHVHKCWRLJGGCM-LEOABGAYSA-N 1 3 338.496 0.772 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000997835822 743844612 /nfs/dbraw/zinc/84/46/12/743844612.db2.gz BOBKHVWCVRZBGP-HOCLYGCPSA-N 1 3 348.491 0.530 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414200 744233291 /nfs/dbraw/zinc/23/32/91/744233291.db2.gz JSXYGZMPLRBVKM-IAGOWNOFSA-N 1 3 346.479 0.543 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC000999363134 744654749 /nfs/dbraw/zinc/65/47/49/744654749.db2.gz CELLXTTYEYLZMA-DLBZAZTESA-N 1 3 348.495 0.816 20 0 ECADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC000999363798 744655464 /nfs/dbraw/zinc/65/54/64/744655464.db2.gz KELXPINGIXBLDG-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC000999403580 744679226 /nfs/dbraw/zinc/67/92/26/744679226.db2.gz RKNDAHJRUQPQAV-ODIFPOPNSA-N 1 3 346.475 0.806 20 0 ECADHO CCN1CC[C@@H](N[C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000999596794 744781901 /nfs/dbraw/zinc/78/19/01/744781901.db2.gz MPARZPTXFDPXND-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(CCCO)CC2(C)C)cn1 ZINC000977306652 744850684 /nfs/dbraw/zinc/85/06/84/744850684.db2.gz ZBZYHVXUJNBPBU-OAHLLOKOSA-N 1 3 337.468 0.267 20 0 ECADHO C[C@H](N[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1)C(N)=O ZINC000999795464 744907439 /nfs/dbraw/zinc/90/74/39/744907439.db2.gz ZXFPQSLGSNEEDS-GOEBONIOSA-N 1 3 346.475 0.859 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999850935 744944834 /nfs/dbraw/zinc/94/48/34/744944834.db2.gz CCVJBCMKEQHZOF-CZUORRHYSA-N 1 3 334.464 0.140 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999852567 744946429 /nfs/dbraw/zinc/94/64/29/744946429.db2.gz OWSMDYQEBPPJID-HOCLYGCPSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999852567 744946430 /nfs/dbraw/zinc/94/64/30/744946430.db2.gz OWSMDYQEBPPJID-HOCLYGCPSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999867202 744965554 /nfs/dbraw/zinc/96/55/54/744965554.db2.gz AQHLMHGMNMNTCA-GOEBONIOSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999867202 744965559 /nfs/dbraw/zinc/96/55/59/744965559.db2.gz AQHLMHGMNMNTCA-GOEBONIOSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(N[C@H]1C[C@H](CNCc2cnns2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000983676174 745043907 /nfs/dbraw/zinc/04/39/07/745043907.db2.gz SYRQIRNGYDMWNL-WHOFXGATSA-N 1 3 335.477 0.864 20 0 ECADHO Cn1nccc1CCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977461199 745043869 /nfs/dbraw/zinc/04/38/69/745043869.db2.gz BLQUXZMFFGRHCP-INIZCTEOSA-N 1 3 345.491 0.885 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001000193806 745330429 /nfs/dbraw/zinc/33/04/29/745330429.db2.gz SHXAJPVSJOEYFV-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001000194084 745331389 /nfs/dbraw/zinc/33/13/89/745331389.db2.gz SHXAJPVSJOEYFV-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CCC[C@H](NCC(=O)N3CCC3)C2)CC1 ZINC001000380064 745463455 /nfs/dbraw/zinc/46/34/55/745463455.db2.gz SZUTVIWBZOJMRT-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO COc1coc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001000929135 745907350 /nfs/dbraw/zinc/90/73/50/745907350.db2.gz PDPZLWDRYZDOQS-KBPBESRZSA-N 1 3 349.431 0.681 20 0 ECADHO COc1coc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001000929135 745907351 /nfs/dbraw/zinc/90/73/51/745907351.db2.gz PDPZLWDRYZDOQS-KBPBESRZSA-N 1 3 349.431 0.681 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CCCO ZINC001087665308 746168995 /nfs/dbraw/zinc/16/89/95/746168995.db2.gz JDAMUHXWKUOFAU-HNCZQISISA-N 1 3 337.464 0.201 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CCCO ZINC001087665308 746168997 /nfs/dbraw/zinc/16/89/97/746168997.db2.gz JDAMUHXWKUOFAU-HNCZQISISA-N 1 3 337.464 0.201 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCn1cncn1 ZINC001087712711 746231223 /nfs/dbraw/zinc/23/12/23/746231223.db2.gz XBAVNRAHIWRTLR-JKSUJKDBSA-N 1 3 334.468 0.589 20 0 ECADHO O=C(NCC1CCN([C@H]2CCCNC2=O)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001001413102 746353630 /nfs/dbraw/zinc/35/36/30/746353630.db2.gz JIEWTODWVXRXNA-SJORKVTESA-N 1 3 348.491 0.435 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)CC[C@@H]2C1 ZINC001087908783 746637421 /nfs/dbraw/zinc/63/74/21/746637421.db2.gz NHXDYJXKNPOJFF-IKGGRYGDSA-N 1 3 331.464 0.758 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)CC[C@@H]2C1 ZINC001087908783 746637423 /nfs/dbraw/zinc/63/74/23/746637423.db2.gz NHXDYJXKNPOJFF-IKGGRYGDSA-N 1 3 331.464 0.758 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027681379 746797333 /nfs/dbraw/zinc/79/73/33/746797333.db2.gz VMOYUSJLNIFZCM-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027681379 746797338 /nfs/dbraw/zinc/79/73/38/746797338.db2.gz VMOYUSJLNIFZCM-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984708454 746857571 /nfs/dbraw/zinc/85/75/71/746857571.db2.gz ZMWIWXLQZJSMGR-GDBMZVCRSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984708454 746857575 /nfs/dbraw/zinc/85/75/75/746857575.db2.gz ZMWIWXLQZJSMGR-GDBMZVCRSA-N 1 3 347.463 0.743 20 0 ECADHO CN1CCC[C@H](N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002120589 747000540 /nfs/dbraw/zinc/00/05/40/747000540.db2.gz IXKDFVBAUGHCNW-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@H](N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002120589 747000547 /nfs/dbraw/zinc/00/05/47/747000547.db2.gz IXKDFVBAUGHCNW-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1C ZINC000985041048 747295940 /nfs/dbraw/zinc/29/59/40/747295940.db2.gz SXTILHSGVHEGSD-SHTZXODSSA-N 1 3 331.464 0.809 20 0 ECADHO CN(C[C@H]1CCCN1C(=O)CN1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001002527866 747474203 /nfs/dbraw/zinc/47/42/03/747474203.db2.gz LOYPJZNVNGSWMU-MRXNPFEDSA-N 1 3 348.491 0.627 20 0 ECADHO Cn1cc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)cn1 ZINC001088199247 747724682 /nfs/dbraw/zinc/72/46/82/747724682.db2.gz HTOYQGWCIUVALS-IKGGRYGDSA-N 1 3 331.464 0.652 20 0 ECADHO Cn1cc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)cn1 ZINC001088199247 747724687 /nfs/dbraw/zinc/72/46/87/747724687.db2.gz HTOYQGWCIUVALS-IKGGRYGDSA-N 1 3 331.464 0.652 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC(N(C)[C@H](C)C(N)=O)CC2)C1 ZINC000985465863 748163303 /nfs/dbraw/zinc/16/33/03/748163303.db2.gz ZDCUOTNGJNYOIJ-CABCVRRESA-N 1 3 338.496 0.761 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC(N(C)[C@H](C)C(N)=O)CC2)C1 ZINC000985465863 748163306 /nfs/dbraw/zinc/16/33/06/748163306.db2.gz ZDCUOTNGJNYOIJ-CABCVRRESA-N 1 3 338.496 0.761 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC(N(C)[C@H](C)C(N)=O)CC2)C1 ZINC000985465866 748163541 /nfs/dbraw/zinc/16/35/41/748163541.db2.gz ZDCUOTNGJNYOIJ-HUUCEWRRSA-N 1 3 338.496 0.761 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC(N(C)[C@H](C)C(N)=O)CC2)C1 ZINC000985465866 748163544 /nfs/dbraw/zinc/16/35/44/748163544.db2.gz ZDCUOTNGJNYOIJ-HUUCEWRRSA-N 1 3 338.496 0.761 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001029755617 748263586 /nfs/dbraw/zinc/26/35/86/748263586.db2.gz NBLNMTRREYZTCM-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)[C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001029755617 748263592 /nfs/dbraw/zinc/26/35/92/748263592.db2.gz NBLNMTRREYZTCM-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO O=C(NC1CCN(CCN2CCCC2=O)CC1)C12CCC[NH+]1CCC2 ZINC001003243599 748337164 /nfs/dbraw/zinc/33/71/64/748337164.db2.gz DBULGGSPXRCMRT-UHFFFAOYSA-N 1 3 348.491 0.818 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@H]1CCNC1=O ZINC001029776552 748342988 /nfs/dbraw/zinc/34/29/88/748342988.db2.gz DCHDUDWPKIZYLT-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001003627520 748741279 /nfs/dbraw/zinc/74/12/79/748741279.db2.gz FWMCBRWHCGAJKW-HOCLYGCPSA-N 1 3 346.479 0.830 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C1 ZINC001003628994 748742201 /nfs/dbraw/zinc/74/22/01/748742201.db2.gz WHWWUODPZBNNMH-NVXWUHKLSA-N 1 3 349.479 0.166 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985646767 748790224 /nfs/dbraw/zinc/79/02/24/748790224.db2.gz KZCOEFZLYCONOA-HOCLYGCPSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985646767 748790228 /nfs/dbraw/zinc/79/02/28/748790228.db2.gz KZCOEFZLYCONOA-HOCLYGCPSA-N 1 3 336.480 0.624 20 0 ECADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000985658661 748826464 /nfs/dbraw/zinc/82/64/64/748826464.db2.gz YSCROBAHUORUJX-HOTGVXAUSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000985658661 748826467 /nfs/dbraw/zinc/82/64/67/748826467.db2.gz YSCROBAHUORUJX-HOTGVXAUSA-N 1 3 338.496 0.870 20 0 ECADHO NC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980087942 748969464 /nfs/dbraw/zinc/96/94/64/748969464.db2.gz SUDSFROAHVPUSM-SOUVJXGZSA-N 1 3 334.464 0.317 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(CCN3CCCC3=O)CC2)C1 ZINC001003970928 749093074 /nfs/dbraw/zinc/09/30/74/749093074.db2.gz ONNWERJILUJQFD-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(CCN3CCCC3=O)CC2)C1 ZINC001003970928 749093078 /nfs/dbraw/zinc/09/30/78/749093078.db2.gz ONNWERJILUJQFD-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)c2cnccc2N(C)C)CC1 ZINC001003983594 749106966 /nfs/dbraw/zinc/10/69/66/749106966.db2.gz QOWRJGYHGXVTHR-CYBMUJFWSA-N 1 3 347.463 0.819 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@H]3C2)C1 ZINC000980172580 749121106 /nfs/dbraw/zinc/12/11/06/749121106.db2.gz XVGFRWRJQUIAFY-RBSFLKMASA-N 1 3 336.480 0.420 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(N)=O)C[C@H]3C2)C1 ZINC000980172580 749121107 /nfs/dbraw/zinc/12/11/07/749121107.db2.gz XVGFRWRJQUIAFY-RBSFLKMASA-N 1 3 336.480 0.420 20 0 ECADHO CCCN(C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059674947 749345285 /nfs/dbraw/zinc/34/52/85/749345285.db2.gz XNMGGYVTXZGNDC-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO CCCN(C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001059674947 749345290 /nfs/dbraw/zinc/34/52/90/749345290.db2.gz XNMGGYVTXZGNDC-CVEARBPZSA-N 1 3 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ZINC001004995040 750117275 /nfs/dbraw/zinc/11/72/75/750117275.db2.gz YSPUNEKBBJWYCN-XJKSGUPXSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1C[C@@H](CNCc2nccn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766626 750119386 /nfs/dbraw/zinc/11/93/86/750119386.db2.gz FDCVEZFVKOUVCI-CABCVRRESA-N 1 3 331.464 0.843 20 0 ECADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)CN1CCCC1 ZINC000980800544 750181449 /nfs/dbraw/zinc/18/14/49/750181449.db2.gz QWNYUYDFKORGAL-RDJZCZTQSA-N 1 3 346.475 0.808 20 0 ECADHO CC[NH+](CC)CCC[C@H](C)N1C[C@@H]2[C@H](C1)OCCN2CC(=O)NC ZINC001167826026 750272183 /nfs/dbraw/zinc/27/21/83/750272183.db2.gz VNUWRYAZMQTUGO-BBWFWOEESA-N 1 3 340.512 0.628 20 0 ECADHO CCn1nncc1CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000986825258 750393033 /nfs/dbraw/zinc/39/30/33/750393033.db2.gz MBICJOROXBUYGX-BBRMVZONSA-N 1 3 334.468 0.719 20 0 ECADHO CCn1nncc1CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000986825263 750393196 /nfs/dbraw/zinc/39/31/96/750393196.db2.gz MBICJOROXBUYGX-CJNGLKHVSA-N 1 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/nfs/dbraw/zinc/83/02/26/757830226.db2.gz NEXYRECKDKXZLA-RUGDWHBFSA-N 1 3 345.491 0.816 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)COCC[NH+](C)C ZINC001077020878 757956989 /nfs/dbraw/zinc/95/69/89/757956989.db2.gz BVJRVTPCZNFIDX-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)N(C)C ZINC001011623772 758157616 /nfs/dbraw/zinc/15/76/16/758157616.db2.gz JPQWMKFTMCSDFH-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001022070587 758234874 /nfs/dbraw/zinc/23/48/74/758234874.db2.gz XCNIXQIZLCIPNJ-XUWVNRHRSA-N 1 3 346.479 0.875 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccns2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001022121122 758305212 /nfs/dbraw/zinc/30/52/12/758305212.db2.gz YIMOEUVVXJQSIT-QVHKTLOISA-N 1 3 336.461 0.743 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccns2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001022121122 758305222 /nfs/dbraw/zinc/30/52/22/758305222.db2.gz YIMOEUVVXJQSIT-QVHKTLOISA-N 1 3 336.461 0.743 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001022122732 758309045 /nfs/dbraw/zinc/30/90/45/758309045.db2.gz XTGCJVBBZUBPJO-YYIAUSFCSA-N 1 3 330.432 0.682 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C)N(C)C ZINC001077151064 758352322 /nfs/dbraw/zinc/35/23/22/758352322.db2.gz BXNTYZKGYCIGSS-SOUVJXGZSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C)N(C)C ZINC001077151064 758352336 /nfs/dbraw/zinc/35/23/36/758352336.db2.gz BXNTYZKGYCIGSS-SOUVJXGZSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@H](CNCc2ccccn2)C1)[NH+](C)C ZINC001051667632 762639934 /nfs/dbraw/zinc/63/99/34/762639934.db2.gz TZSHBFYMDIGLLB-SJORKVTESA-N 1 3 334.464 0.985 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO2)cn1 ZINC001051667475 762639990 /nfs/dbraw/zinc/63/99/90/762639990.db2.gz PPVXQHFWSAVBDA-SJORKVTESA-N 1 3 349.479 0.688 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022349629 758606719 /nfs/dbraw/zinc/60/67/19/758606719.db2.gz DCQAMCMOARNGPJ-LZWOXQAQSA-N 1 3 334.468 0.672 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022349629 758606725 /nfs/dbraw/zinc/60/67/25/758606725.db2.gz DCQAMCMOARNGPJ-LZWOXQAQSA-N 1 3 334.468 0.672 20 0 ECADHO COc1cc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccn1 ZINC001127778475 758637876 /nfs/dbraw/zinc/63/78/76/758637876.db2.gz GAFDZOWOWGRJSH-GJZGRUSLSA-N 1 3 334.420 0.159 20 0 ECADHO COc1cc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccn1 ZINC001127778475 758637886 /nfs/dbraw/zinc/63/78/86/758637886.db2.gz GAFDZOWOWGRJSH-GJZGRUSLSA-N 1 3 334.420 0.159 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)C1 ZINC001022584527 758915797 /nfs/dbraw/zinc/91/57/97/758915797.db2.gz AIHYKKJRFYOABK-KFWWJZLASA-N 1 3 334.468 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)C1 ZINC001022584527 758915802 /nfs/dbraw/zinc/91/58/02/758915802.db2.gz AIHYKKJRFYOABK-KFWWJZLASA-N 1 3 334.468 0.674 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001022596982 758930893 /nfs/dbraw/zinc/93/08/93/758930893.db2.gz YABGTBGDXJKWMS-ZQDZILKHSA-N 1 3 334.468 0.765 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001022596982 758930897 /nfs/dbraw/zinc/93/08/97/758930897.db2.gz YABGTBGDXJKWMS-ZQDZILKHSA-N 1 3 334.468 0.765 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c(C)n1 ZINC001022720646 759042484 /nfs/dbraw/zinc/04/24/84/759042484.db2.gz SCSRXSPADRXXNC-FWYOQMDTSA-N 1 3 347.463 0.728 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)c(C)n1 ZINC001022720646 759042492 /nfs/dbraw/zinc/04/24/92/759042492.db2.gz SCSRXSPADRXXNC-FWYOQMDTSA-N 1 3 347.463 0.728 20 0 ECADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(CO)cc2)C1)N(C)C ZINC001051683986 762682257 /nfs/dbraw/zinc/68/22/57/762682257.db2.gz UOMZHXPEJRIXQW-QZTJIDSGSA-N 1 3 349.475 0.836 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001022809469 759131514 /nfs/dbraw/zinc/13/15/14/759131514.db2.gz NHAWQONFJSFNML-IYBDPMFKSA-N 1 3 347.463 0.954 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)Cc1c[nH]cn1 ZINC001012099354 759405020 /nfs/dbraw/zinc/40/50/20/759405020.db2.gz DYQYDIWXDKUWJJ-JSGCOSHPSA-N 1 3 331.420 0.154 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNCc3cnn(C)n3)CC2)CC[N@@H+]1C ZINC001050327821 760133766 /nfs/dbraw/zinc/13/37/66/760133766.db2.gz FGFRZKLGJWDKKS-KCYZZUKISA-N 1 3 348.495 0.920 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNCc3cnn(C)n3)CC2)CC[N@H+]1C ZINC001050327821 760133773 /nfs/dbraw/zinc/13/37/73/760133773.db2.gz FGFRZKLGJWDKKS-KCYZZUKISA-N 1 3 348.495 0.920 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNCc3nncn3C)CC2)CC[N@@H+]1C ZINC001050329943 760137419 /nfs/dbraw/zinc/13/74/19/760137419.db2.gz VMSSWFHIRCCDAI-KLHDSHLOSA-N 1 3 348.495 0.920 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNCc3nncn3C)CC2)CC[N@H+]1C ZINC001050329943 760137424 /nfs/dbraw/zinc/13/74/24/760137424.db2.gz VMSSWFHIRCCDAI-KLHDSHLOSA-N 1 3 348.495 0.920 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001048281719 760213587 /nfs/dbraw/zinc/21/35/87/760213587.db2.gz URNGWYTZUATJDQ-CABCVRRESA-N 1 3 348.495 0.966 20 0 ECADHO Cn1ncnc1CNC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001050390030 760219350 /nfs/dbraw/zinc/21/93/50/760219350.db2.gz KHNZLVRCKXZHLB-KKUMJFAQSA-N 1 3 334.468 0.531 20 0 ECADHO Cn1ncnc1CNC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001050390030 760219362 /nfs/dbraw/zinc/21/93/62/760219362.db2.gz KHNZLVRCKXZHLB-KKUMJFAQSA-N 1 3 334.468 0.531 20 0 ECADHO C[C@H](NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1nnnn1C ZINC001050390070 760220256 /nfs/dbraw/zinc/22/02/56/760220256.db2.gz LGFOQJSIBDFJNC-XQLPTFJDSA-N 1 3 349.483 0.487 20 0 ECADHO C[C@H](NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1nnnn1C ZINC001050390070 760220260 /nfs/dbraw/zinc/22/02/60/760220260.db2.gz LGFOQJSIBDFJNC-XQLPTFJDSA-N 1 3 349.483 0.487 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001012564567 760298256 /nfs/dbraw/zinc/29/82/56/760298256.db2.gz XGTNOAYMVBVZAM-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001012564567 760298263 /nfs/dbraw/zinc/29/82/63/760298263.db2.gz XGTNOAYMVBVZAM-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CCCN4C)C3)CC2)C1=O ZINC001050462083 760305733 /nfs/dbraw/zinc/30/57/33/760305733.db2.gz PGYQQOIIIBCRMS-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNCc1nncn1C ZINC001048397415 760437221 /nfs/dbraw/zinc/43/72/21/760437221.db2.gz QGIPDYGAPLCVRT-GDBMZVCRSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CN1C(=O)CN1CCCC1 ZINC001012618500 760445740 /nfs/dbraw/zinc/44/57/40/760445740.db2.gz GGWDWXDCNIOBOZ-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C)n1 ZINC001048476294 760588742 /nfs/dbraw/zinc/58/87/42/760588742.db2.gz RHBJRNYAPKXNKK-LSDHHAIUSA-N 1 3 347.463 0.765 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CNCc1nncn1C ZINC001048477813 760591103 /nfs/dbraw/zinc/59/11/03/760591103.db2.gz DGBBJOPOXLUZAJ-CVEARBPZSA-N 1 3 348.495 0.875 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+][C@H]3CCCNC3=O)C(C)(C)C2)CCC1 ZINC000995888884 760768590 /nfs/dbraw/zinc/76/85/90/760768590.db2.gz SQDMGLIQOIAUID-UONOGXRCSA-N 1 3 336.480 0.576 20 0 ECADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995987418 760938389 /nfs/dbraw/zinc/93/83/89/760938389.db2.gz RCQGQXPNPPEXRA-AWEZNQCLSA-N 1 3 338.496 0.951 20 0 ECADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995987418 760938392 /nfs/dbraw/zinc/93/83/92/760938392.db2.gz RCQGQXPNPPEXRA-AWEZNQCLSA-N 1 3 338.496 0.951 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)N1CCCCC1 ZINC001127081821 761008002 /nfs/dbraw/zinc/00/80/02/761008002.db2.gz COJDNQOBOJVMKS-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)N1CCCCC1 ZINC001127081821 761008014 /nfs/dbraw/zinc/00/80/14/761008014.db2.gz COJDNQOBOJVMKS-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000991476287 761113688 /nfs/dbraw/zinc/11/36/88/761113688.db2.gz BRJCUQKPVUFCJN-OAHLLOKOSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@@H+]1C ZINC001017490468 768054349 /nfs/dbraw/zinc/05/43/49/768054349.db2.gz PVFCBTTZXWMYIO-CZUORRHYSA-N 1 3 345.447 0.567 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@H+]1C ZINC001017490468 768054354 /nfs/dbraw/zinc/05/43/54/768054354.db2.gz PVFCBTTZXWMYIO-CZUORRHYSA-N 1 3 345.447 0.567 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991715854 762916696 /nfs/dbraw/zinc/91/66/96/762916696.db2.gz AWXRJEFSIKGNAX-HNNXBMFYSA-N 1 3 344.459 0.641 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991715854 762916700 /nfs/dbraw/zinc/91/67/00/762916700.db2.gz AWXRJEFSIKGNAX-HNNXBMFYSA-N 1 3 344.459 0.641 20 0 ECADHO CC(C)[C@H](C(=O)N1CCO[C@H](CNCc2ccnn2C)C1)[NH+](C)C ZINC001051806615 763010795 /nfs/dbraw/zinc/01/07/95/763010795.db2.gz IPJJWJNVPJGBTM-HZPDHXFCSA-N 1 3 337.468 0.323 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991731325 763017175 /nfs/dbraw/zinc/01/71/75/763017175.db2.gz SJGFMDRLCFQQCA-GOEBONIOSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991731325 763017179 /nfs/dbraw/zinc/01/71/79/763017179.db2.gz SJGFMDRLCFQQCA-GOEBONIOSA-N 1 3 336.480 0.528 20 0 ECADHO CC1CC(C[NH+]2CC(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001031857397 763092735 /nfs/dbraw/zinc/09/27/35/763092735.db2.gz UFLUOUUAOXBXOX-MUGCCGGLSA-N 1 3 333.476 0.944 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)s1 ZINC001051929984 763360358 /nfs/dbraw/zinc/36/03/58/763360358.db2.gz GIFZWYZQIWXMAV-UONOGXRCSA-N 1 3 338.477 0.720 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)s1 ZINC001051929984 763360365 /nfs/dbraw/zinc/36/03/65/763360365.db2.gz GIFZWYZQIWXMAV-UONOGXRCSA-N 1 3 338.477 0.720 20 0 ECADHO COc1cc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)ccn1 ZINC001051930232 763361550 /nfs/dbraw/zinc/36/15/50/763361550.db2.gz KEWFCRBBKHXVMS-JKSUJKDBSA-N 1 3 348.447 0.359 20 0 ECADHO COc1cc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)ccn1 ZINC001051930232 763361560 /nfs/dbraw/zinc/36/15/60/763361560.db2.gz KEWFCRBBKHXVMS-JKSUJKDBSA-N 1 3 348.447 0.359 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000940526145 763388505 /nfs/dbraw/zinc/38/85/05/763388505.db2.gz QRYJVHATYQNCLZ-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000940526145 763388515 /nfs/dbraw/zinc/38/85/15/763388515.db2.gz QRYJVHATYQNCLZ-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC(=O)NC2CC2)C3)CC1 ZINC001047139024 763713228 /nfs/dbraw/zinc/71/32/28/763713228.db2.gz JRNCYEXKRMZLMO-XKQJLSEDSA-N 1 3 348.491 0.576 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC001054740061 768215752 /nfs/dbraw/zinc/21/57/52/768215752.db2.gz VDBLTPWLGRBROH-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CN(CC2CC(F)(F)C2)C[C@@H]1O ZINC001047598332 764832792 /nfs/dbraw/zinc/83/27/92/764832792.db2.gz HCYNXHBINMHENC-KBPBESRZSA-N 1 3 343.418 0.631 20 0 ECADHO Cc1nc(CN[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C)n[nH]1 ZINC001054790905 768278125 /nfs/dbraw/zinc/27/81/25/768278125.db2.gz LYGCTMGYWVXFQH-DZGCQCFKSA-N 1 3 346.479 0.926 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCN(C[C@H]3CCCCO3)C2)cn1 ZINC001015828274 765390579 /nfs/dbraw/zinc/39/05/79/765390579.db2.gz ZQXFIWMKWLHBLX-DLBZAZTESA-N 1 3 349.479 0.818 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2N(CCn2cncn2)CC3)CC1 ZINC000992143285 765645308 /nfs/dbraw/zinc/64/53/08/765645308.db2.gz MJPGRIRZOZOPSJ-SJLPKXTDSA-N 1 3 346.479 0.733 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001017738787 768337326 /nfs/dbraw/zinc/33/73/26/768337326.db2.gz WSUBVZDKFHDFKR-CZUORRHYSA-N 1 3 345.447 0.425 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001017738787 768337335 /nfs/dbraw/zinc/33/73/35/768337335.db2.gz WSUBVZDKFHDFKR-CZUORRHYSA-N 1 3 345.447 0.425 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)CN2CCCC2)CC1 ZINC001017736822 768335691 /nfs/dbraw/zinc/33/56/91/768335691.db2.gz IZVGRSUMIDDCKI-NVXWUHKLSA-N 1 3 348.491 0.555 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)CN2CCCC2)CC1 ZINC001017736822 768335699 /nfs/dbraw/zinc/33/56/99/768335699.db2.gz IZVGRSUMIDDCKI-NVXWUHKLSA-N 1 3 348.491 0.555 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1cnn(C)c1 ZINC001054854505 768340594 /nfs/dbraw/zinc/34/05/94/768340594.db2.gz VEJIZODLOLZWRU-GOEBONIOSA-N 1 3 331.464 0.985 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@]23CCC[C@H]2N(CCn2cncn2)CC3)C1 ZINC000992426546 766540962 /nfs/dbraw/zinc/54/09/62/766540962.db2.gz JWVACBFLPPNYAE-JFIYKMOQSA-N 1 3 346.479 0.733 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@@]23CCC[C@H]2N(CCn2cncn2)CC3)C1 ZINC000992426546 766540967 /nfs/dbraw/zinc/54/09/67/766540967.db2.gz JWVACBFLPPNYAE-JFIYKMOQSA-N 1 3 346.479 0.733 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2N(CCn2cncn2)CC3)C1 ZINC000992426549 766541075 /nfs/dbraw/zinc/54/10/75/766541075.db2.gz JWVACBFLPPNYAE-NUJGCVRESA-N 1 3 346.479 0.733 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2N(CCn2cncn2)CC3)C1 ZINC000992426549 766541076 /nfs/dbraw/zinc/54/10/76/766541076.db2.gz JWVACBFLPPNYAE-NUJGCVRESA-N 1 3 346.479 0.733 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1 ZINC001031715330 766715830 /nfs/dbraw/zinc/71/58/30/766715830.db2.gz RNLNAJNWSQUPGB-IRXDYDNUSA-N 1 3 349.479 0.166 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1 ZINC001031715330 766715833 /nfs/dbraw/zinc/71/58/33/766715833.db2.gz RNLNAJNWSQUPGB-IRXDYDNUSA-N 1 3 349.479 0.166 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2N(CCN2CCNC2=O)CC3)C1 ZINC000992510860 766747510 /nfs/dbraw/zinc/74/75/10/766747510.db2.gz YARBEJPZIFKGQW-HDMKZQKVSA-N 1 3 349.479 0.077 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2N(CCN2CCNC2=O)CC3)C1 ZINC000992510860 766747518 /nfs/dbraw/zinc/74/75/18/766747518.db2.gz YARBEJPZIFKGQW-HDMKZQKVSA-N 1 3 349.479 0.077 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707655 766767434 /nfs/dbraw/zinc/76/74/34/766767434.db2.gz YZKNKFYNHOEUAF-HUUCEWRRSA-N 1 3 348.491 0.720 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707531 766767497 /nfs/dbraw/zinc/76/74/97/766767497.db2.gz WMIKXJXNNQRCFO-GJZGRUSLSA-N 1 3 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ZINC000938683258 767062647 /nfs/dbraw/zinc/06/26/47/767062647.db2.gz IMIDNIXIRWZHGP-JKSUJKDBSA-N 1 3 348.491 0.482 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)CN2CCC[C@H]2C)C1)[NH+](C)C ZINC000938821775 767121357 /nfs/dbraw/zinc/12/13/57/767121357.db2.gz VOVGXONITPRFDC-VYDXJSESSA-N 1 3 338.496 0.774 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463792 767476061 /nfs/dbraw/zinc/47/60/61/767476061.db2.gz GGJBIJZEFWTAMV-ZIAGYGMSSA-N 1 3 333.436 0.259 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463792 767476067 /nfs/dbraw/zinc/47/60/67/767476067.db2.gz GGJBIJZEFWTAMV-ZIAGYGMSSA-N 1 3 333.436 0.259 20 0 ECADHO CN(C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCCNC1=O ZINC001017250699 767769751 /nfs/dbraw/zinc/76/97/51/767769751.db2.gz IBBRMWBKIVXYHC-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356413 768457617 /nfs/dbraw/zinc/45/76/17/768457617.db2.gz 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CN(C)c1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)ccn1 ZINC001018628840 769681191 /nfs/dbraw/zinc/68/11/91/769681191.db2.gz RKLUFBJIBZCUDP-HOTGVXAUSA-N 1 3 331.464 0.932 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000993949811 769932279 /nfs/dbraw/zinc/93/22/79/769932279.db2.gz NQICQRCBGKLHQH-HZPDHXFCSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000993949811 769932286 /nfs/dbraw/zinc/93/22/86/769932286.db2.gz NQICQRCBGKLHQH-HZPDHXFCSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCCN1CCCO ZINC000993989974 769971201 /nfs/dbraw/zinc/97/12/01/769971201.db2.gz QANGWVIIUICFJT-ZBFHGGJFSA-N 1 3 337.468 0.410 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001018880522 770181199 /nfs/dbraw/zinc/18/11/99/770181199.db2.gz SUSJIJOJYPZNGN-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001018880522 770181200 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CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001019342781 771185553 /nfs/dbraw/zinc/18/55/53/771185553.db2.gz HPETUAKTCPETTD-SQWLQELKSA-N 1 3 334.468 0.542 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001056545426 771369668 /nfs/dbraw/zinc/36/96/68/771369668.db2.gz IKFBKBNRJUVTTB-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)C(=O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089557971 771486232 /nfs/dbraw/zinc/48/62/32/771486232.db2.gz DUFMIYJUJGWTHU-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)C(=O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089557971 771486236 /nfs/dbraw/zinc/48/62/36/771486236.db2.gz DUFMIYJUJGWTHU-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001019772596 771780692 /nfs/dbraw/zinc/78/06/92/771780692.db2.gz LKLRSZIXLQLGPG-CVEARBPZSA-N 1 3 330.432 0.428 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001019772596 771780697 /nfs/dbraw/zinc/78/06/97/771780697.db2.gz LKLRSZIXLQLGPG-CVEARBPZSA-N 1 3 330.432 0.428 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001078460538 782986989 /nfs/dbraw/zinc/98/69/89/782986989.db2.gz VKGVTOYQJPRAGY-KRWDZBQOSA-N 1 3 349.479 0.469 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749680 774576155 /nfs/dbraw/zinc/57/61/55/774576155.db2.gz KMJBVTZHZMMCFC-ZFWWWQNUSA-N 1 3 330.436 0.898 20 0 ECADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001045257365 775247246 /nfs/dbraw/zinc/24/72/46/775247246.db2.gz PKRKWSFDQOMKPM-INIZCTEOSA-N 1 3 349.479 0.612 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044741478 776725276 /nfs/dbraw/zinc/72/52/76/776725276.db2.gz BRFFLANJTLKTTN-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001079930428 777104129 /nfs/dbraw/zinc/10/41/29/777104129.db2.gz OWONPAPBGJBSNM-UHFFFAOYSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)[C@H](C1CC1)N(C)C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079945528 777125646 /nfs/dbraw/zinc/12/56/46/777125646.db2.gz PAHDLJHWKIQGLE-INIZCTEOSA-N 1 3 348.491 0.482 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080140635 777450302 /nfs/dbraw/zinc/45/03/02/777450302.db2.gz XZPXJZMTICRHBZ-GOEBONIOSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080140635 777450308 /nfs/dbraw/zinc/45/03/08/777450308.db2.gz XZPXJZMTICRHBZ-GOEBONIOSA-N 1 3 338.496 0.728 20 0 ECADHO CCC[N@H+](C)CCC(=O)N(CC)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080189102 777521524 /nfs/dbraw/zinc/52/15/24/777521524.db2.gz FHEXLLIYKLKWPV-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N(CC)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080189102 777521529 /nfs/dbraw/zinc/52/15/29/777521529.db2.gz FHEXLLIYKLKWPV-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080559684 778034957 /nfs/dbraw/zinc/03/49/57/778034957.db2.gz LMZCBJWNTNWGTO-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080559684 778034972 /nfs/dbraw/zinc/03/49/72/778034972.db2.gz LMZCBJWNTNWGTO-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070097444 790595850 /nfs/dbraw/zinc/59/58/50/790595850.db2.gz SGUAJKHUEYJXCC-OAGGEKHMSA-N 1 3 332.452 0.371 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070097444 790595864 /nfs/dbraw/zinc/59/58/64/790595864.db2.gz SGUAJKHUEYJXCC-OAGGEKHMSA-N 1 3 332.452 0.371 20 0 ECADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508846 780054602 /nfs/dbraw/zinc/05/46/02/780054602.db2.gz ZHBBNYPTYIYMRS-RDJZCZTQSA-N 1 3 349.479 0.387 20 0 ECADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078508846 780054609 /nfs/dbraw/zinc/05/46/09/780054609.db2.gz ZHBBNYPTYIYMRS-RDJZCZTQSA-N 1 3 349.479 0.387 20 0 ECADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001079495402 781184922 /nfs/dbraw/zinc/18/49/22/781184922.db2.gz IPKQKBPPVGUNKW-HNNXBMFYSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001077680383 781498275 /nfs/dbraw/zinc/49/82/75/781498275.db2.gz CXXVRNYUHSHHDS-CKEIUWERSA-N 1 3 327.444 0.770 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001077680383 781498279 /nfs/dbraw/zinc/49/82/79/781498279.db2.gz CXXVRNYUHSHHDS-CKEIUWERSA-N 1 3 327.444 0.770 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041626101 781879652 /nfs/dbraw/zinc/87/96/52/781879652.db2.gz PPVPQYXOJGGLPX-YJBOKZPZSA-N 1 3 336.480 0.517 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@]3(CCN([C@@H]4CCCNC4=O)C3)C2)CC1 ZINC001041633045 781895628 /nfs/dbraw/zinc/89/56/28/781895628.db2.gz OVMVMSFLOGIROM-VQIMIIECSA-N 1 3 348.491 0.531 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070204741 783652549 /nfs/dbraw/zinc/65/25/49/783652549.db2.gz PCWHPWOHMNCHKM-ZACQAIPSSA-N 1 3 346.479 0.904 20 0 ECADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001037863920 783653741 /nfs/dbraw/zinc/65/37/41/783653741.db2.gz ZEYQFUCYKJIEIQ-NVXWUHKLSA-N 1 3 348.495 0.979 20 0 ECADHO CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1NCc1ncnn1C ZINC001037957312 783734595 /nfs/dbraw/zinc/73/45/95/783734595.db2.gz GPNALJUGMWRUBO-HUUCEWRRSA-N 1 3 346.479 0.628 20 0 ECADHO CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1NCc1nncn1C ZINC001037962246 783737936 /nfs/dbraw/zinc/73/79/36/783737936.db2.gz VZVVZSJSNPASEZ-HUUCEWRRSA-N 1 3 346.479 0.628 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070273880 783778169 /nfs/dbraw/zinc/77/81/69/783778169.db2.gz JRRTXIDQJAOCRA-IMJJTQAJSA-N 1 3 332.452 0.514 20 0 ECADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001070332391 783840237 /nfs/dbraw/zinc/84/02/37/783840237.db2.gz BIGSHEMDCBVABW-OAGGEKHMSA-N 1 3 334.468 0.904 20 0 ECADHO O=C(NCc1c[nH]nc1[C@H]1CCN(CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001070410258 783998781 /nfs/dbraw/zinc/99/87/81/783998781.db2.gz ZCIZJIUJZZDKKG-GOEBONIOSA-N 1 3 347.463 0.149 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001070767910 784672064 /nfs/dbraw/zinc/67/20/64/784672064.db2.gz RQIZCQGYQVHIBP-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071259444 784868601 /nfs/dbraw/zinc/86/86/01/784868601.db2.gz LPLIITCUDNNSPZ-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001072152272 785755016 /nfs/dbraw/zinc/75/50/16/785755016.db2.gz LWNBDLMABCDJFW-ZBFHGGJFSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001072369505 786091678 /nfs/dbraw/zinc/09/16/78/786091678.db2.gz RAGJXDFLUQWING-DZGCQCFKSA-N 1 3 330.436 0.960 20 0 ECADHO COC[C@@H](C)N1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861368 787386218 /nfs/dbraw/zinc/38/62/18/787386218.db2.gz CFHAVAPXRAFKOF-CABCVRRESA-N 1 3 325.453 0.324 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)[C@@H]1C)N(C)C ZINC001074709848 787656045 /nfs/dbraw/zinc/65/60/45/787656045.db2.gz SQXOPPMTZBVLTJ-CAOSSQGBSA-N 1 3 338.496 0.915 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccn(C)c(=O)c3)[C@@H]2C)C1 ZINC001074877766 788477300 /nfs/dbraw/zinc/47/73/00/788477300.db2.gz KYRGLZHNOXTDDW-ZOBUZTSGSA-N 1 3 346.475 0.806 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001072742706 788692587 /nfs/dbraw/zinc/69/25/87/788692587.db2.gz UCMOHFWKUNBMBF-IUODEOHRSA-N 1 3 335.452 0.566 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001072742706 788692590 /nfs/dbraw/zinc/69/25/90/788692590.db2.gz UCMOHFWKUNBMBF-IUODEOHRSA-N 1 3 335.452 0.566 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001075156323 788995909 /nfs/dbraw/zinc/99/59/09/788995909.db2.gz USTGCKYPJOTTEQ-CABCVRRESA-N 1 3 326.485 0.774 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898316 789063881 /nfs/dbraw/zinc/06/38/81/789063881.db2.gz SQHCDAQUAMUNHF-CYBMUJFWSA-N 1 3 341.415 0.617 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001072979751 789203307 /nfs/dbraw/zinc/20/33/07/789203307.db2.gz KJYHJEMAENMSNF-MRXNPFEDSA-N 1 3 331.464 0.902 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001072979751 789203312 /nfs/dbraw/zinc/20/33/12/789203312.db2.gz KJYHJEMAENMSNF-MRXNPFEDSA-N 1 3 331.464 0.902 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCc1ccnn1C)C2 ZINC001072979609 789203844 /nfs/dbraw/zinc/20/38/44/789203844.db2.gz FOXHJXIVUCFBJY-INIZCTEOSA-N 1 3 345.491 0.981 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCc1ccnn1C)C2 ZINC001072979609 789203850 /nfs/dbraw/zinc/20/38/50/789203850.db2.gz FOXHJXIVUCFBJY-INIZCTEOSA-N 1 3 345.491 0.981 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCO[C@H]2CC2(F)F)C3)C1 ZINC001073425690 789823263 /nfs/dbraw/zinc/82/32/63/789823263.db2.gz DXZCOMSPJMUYEY-KGLIPLIRSA-N 1 3 343.418 0.897 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCO[C@H]2CC2(F)F)C3)C1 ZINC001073425690 789823268 /nfs/dbraw/zinc/82/32/68/789823268.db2.gz DXZCOMSPJMUYEY-KGLIPLIRSA-N 1 3 343.418 0.897 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)N(C)C ZINC001267458583 837446303 /nfs/dbraw/zinc/44/63/03/837446303.db2.gz HWHLPCYRNYIQKM-LSDHHAIUSA-N 1 3 347.525 0.445 20 0 ECADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)CN1CCC(C)(C)C1 ZINC001408633792 837596771 /nfs/dbraw/zinc/59/67/71/837596771.db2.gz XRUPDYBKJPLWBG-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCC(C)(C)C1 ZINC001408633792 837596777 /nfs/dbraw/zinc/59/67/77/837596777.db2.gz XRUPDYBKJPLWBG-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO CN1CCO[C@@H](C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397701211 835963594 /nfs/dbraw/zinc/96/35/94/835963594.db2.gz UYEJWRKCURWSMV-SFHVURJKSA-N 1 3 333.476 0.934 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCN2CCCC2=O)C1 ZINC001267035639 836657155 /nfs/dbraw/zinc/65/71/55/836657155.db2.gz PTDKCNHXFGFXKW-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CN(C)C(C)C)CC[N@@H+]1C ZINC001408582678 836951262 /nfs/dbraw/zinc/95/12/62/836951262.db2.gz BMINGWWSNLBMRZ-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CN(C)C(C)C)CC[N@H+]1C ZINC001408582678 836951268 /nfs/dbraw/zinc/95/12/68/836951268.db2.gz BMINGWWSNLBMRZ-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001023124264 837095449 /nfs/dbraw/zinc/09/54/49/837095449.db2.gz DRTJQADNRGCXTR-YHUYYLMFSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](NC(=O)CNCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001267412075 837369387 /nfs/dbraw/zinc/36/93/87/837369387.db2.gz IVDGKKCXRMIPRI-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)[C@H]1CCCCN1C ZINC001408800300 838460197 /nfs/dbraw/zinc/46/01/97/838460197.db2.gz TZKWJMFJSTVXTN-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)[C@H]1CCCCN1C ZINC001408800300 838460200 /nfs/dbraw/zinc/46/02/00/838460200.db2.gz TZKWJMFJSTVXTN-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)N1CCC[C@@H](C)C1 ZINC000354652660 299086692 /nfs/dbraw/zinc/08/66/92/299086692.db2.gz DRNFVZSWZQOLBP-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)Cc1ccccc1 ZINC000418848518 282236903 /nfs/dbraw/zinc/23/69/03/282236903.db2.gz LMYXPEVLHJHSEO-SJORKVTESA-N 1 3 346.475 0.534 20 0 ECADHO C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000354700346 299099726 /nfs/dbraw/zinc/09/97/26/299099726.db2.gz ABOQVNJKSGPMEM-RDJZCZTQSA-N 1 3 346.475 0.881 20 0 ECADHO CN(CCNC(=O)[C@H]1CCCN1C1CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427495124 210204746 /nfs/dbraw/zinc/20/47/46/210204746.db2.gz BEISGWUENCSCDL-SJORKVTESA-N 1 3 348.491 0.815 20 0 ECADHO CN(CCNC(=O)[C@H]1CCCN1C1CC1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427495124 210204747 /nfs/dbraw/zinc/20/47/47/210204747.db2.gz BEISGWUENCSCDL-SJORKVTESA-N 1 3 348.491 0.815 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NCCCCN2CCOCC2)CC1 ZINC000338000258 297233034 /nfs/dbraw/zinc/23/30/34/297233034.db2.gz ARBCBSYAKZGGJH-UHFFFAOYSA-N 1 3 326.485 0.243 20 0 ECADHO CN(C)[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000354711491 299103304 /nfs/dbraw/zinc/10/33/04/299103304.db2.gz LXBKCRMSLRGHJN-DLBZAZTESA-N 1 3 346.475 0.534 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423170178 290730135 /nfs/dbraw/zinc/73/01/35/290730135.db2.gz LEPGYXPULCFXDD-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CCN(CC)CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000066731882 215074404 /nfs/dbraw/zinc/07/44/04/215074404.db2.gz SQIHIMSZZRQLOL-UHFFFAOYSA-N 1 3 334.464 0.936 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000338325301 297257366 /nfs/dbraw/zinc/25/73/66/297257366.db2.gz SHRUFEHMNLNJQL-HOTGVXAUSA-N 1 3 327.517 0.898 20 0 ECADHO C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000354960062 299173364 /nfs/dbraw/zinc/17/33/64/299173364.db2.gz NNFNHYVXWUUPJA-HUUCEWRRSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000354960062 299173367 /nfs/dbraw/zinc/17/33/67/299173367.db2.gz NNFNHYVXWUUPJA-HUUCEWRRSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1C[NH+](CC2CCN(CCN3C(=O)CNC3=O)CC2)C[C@@H](C)O1 ZINC000069016934 215352832 /nfs/dbraw/zinc/35/28/32/215352832.db2.gz ZMZSHMHGCPRWAB-ZIAGYGMSSA-N 1 3 338.452 0.359 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C2)C1 ZINC000410491501 283101821 /nfs/dbraw/zinc/10/18/21/283101821.db2.gz GYMQIEYKCUBXFZ-VQIMIIECSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C2)C1 ZINC000410491501 283101822 /nfs/dbraw/zinc/10/18/22/283101822.db2.gz GYMQIEYKCUBXFZ-VQIMIIECSA-N 1 3 348.491 0.627 20 0 ECADHO CNC(=O)[C@@H]1CCCN(CC(C)C[N@@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000246875513 283392378 /nfs/dbraw/zinc/39/23/78/283392378.db2.gz JSXNJQLVIKVFHT-HZPDHXFCSA-N 1 3 338.496 0.539 20 0 ECADHO CNC(=O)[C@@H]1CCCN(CC(C)C[N@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000246875513 283392382 /nfs/dbraw/zinc/39/23/82/283392382.db2.gz JSXNJQLVIKVFHT-HZPDHXFCSA-N 1 3 338.496 0.539 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCC2CC[NH+](C)CC2)CCN1C ZINC000355860902 299311080 /nfs/dbraw/zinc/31/10/80/299311080.db2.gz ICOUWCQILKOPQB-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1ccc(S(N)(=O)=O)cc1 ZINC000420359232 209357987 /nfs/dbraw/zinc/35/79/87/209357987.db2.gz JPNQDVGNZCDMLS-AWEZNQCLSA-N 1 3 327.450 0.691 20 0 ECADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)C[C@H](O)C[NH3+])CC1 ZINC000420350205 209356151 /nfs/dbraw/zinc/35/61/51/209356151.db2.gz GBAYMWLPWCRJLB-GOSISDBHSA-N 1 3 348.491 0.281 20 0 ECADHO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000420311591 209351878 /nfs/dbraw/zinc/35/18/78/209351878.db2.gz NRGHTEPZKCNNPM-GJZGRUSLSA-N 1 3 325.453 0.991 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420207792 209342039 /nfs/dbraw/zinc/34/20/39/209342039.db2.gz FRAZJLRJSJIZDT-HNNXBMFYSA-N 1 3 342.484 0.062 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420207312 209340926 /nfs/dbraw/zinc/34/09/26/209340926.db2.gz QIEHVPZDVHOMMI-VQHPVUNQSA-N 1 3 348.491 0.578 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000420161374 209326535 /nfs/dbraw/zinc/32/65/35/209326535.db2.gz GEUHAYWLFRZCQP-KRWDZBQOSA-N 1 3 348.491 0.889 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420156203 209325672 /nfs/dbraw/zinc/32/56/72/209325672.db2.gz FFPGCFWLTFDZMD-AWEZNQCLSA-N 1 3 326.485 0.679 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000420129012 209314845 /nfs/dbraw/zinc/31/48/45/209314845.db2.gz UQWMYUDGJXUBEE-SOUVJXGZSA-N 1 3 326.485 0.857 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000420113358 209309669 /nfs/dbraw/zinc/30/96/69/209309669.db2.gz IIDAYECURJNACB-ZFWWWQNUSA-N 1 3 336.436 0.284 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000420105266 209307880 /nfs/dbraw/zinc/30/78/80/209307880.db2.gz SHAOMXUXFVURFN-UHFFFAOYSA-N 1 3 344.459 0.850 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000420083066 209301799 /nfs/dbraw/zinc/30/17/99/209301799.db2.gz SBGINBIPCDHCQI-UHFFFAOYSA-N 1 3 342.484 0.189 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000420076059 209299155 /nfs/dbraw/zinc/29/91/55/209299155.db2.gz LEAFVOMHNKRYGP-QGZVFWFLSA-N 1 3 342.443 0.976 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420058551 209292313 /nfs/dbraw/zinc/29/23/13/209292313.db2.gz FFCVKOXDWBGJBV-JKSUJKDBSA-N 1 3 338.496 0.953 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420058551 209292317 /nfs/dbraw/zinc/29/23/17/209292317.db2.gz FFCVKOXDWBGJBV-JKSUJKDBSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000420020247 209279446 /nfs/dbraw/zinc/27/94/46/209279446.db2.gz DZTJABOBRQUISA-HNNXBMFYSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000420020247 209279449 /nfs/dbraw/zinc/27/94/49/209279449.db2.gz DZTJABOBRQUISA-HNNXBMFYSA-N 1 3 346.475 0.820 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419997643 209272668 /nfs/dbraw/zinc/27/26/68/209272668.db2.gz KGPMICBTWSPIBO-OAGGEKHMSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419967553 209264099 /nfs/dbraw/zinc/26/40/99/209264099.db2.gz OIMDBTOMPBLXEJ-HNNXBMFYSA-N 1 3 326.485 0.858 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419922200 209250279 /nfs/dbraw/zinc/25/02/79/209250279.db2.gz ZCSJOEKDXLMMHO-AWEZNQCLSA-N 1 3 336.436 0.286 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000419843685 209221452 /nfs/dbraw/zinc/22/14/52/209221452.db2.gz NEZNUJASGPPJRN-QGZVFWFLSA-N 1 3 346.475 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000419823631 209214672 /nfs/dbraw/zinc/21/46/72/209214672.db2.gz MDQAGSVZEZTLQZ-JYJNAYRXSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000419823631 209214675 /nfs/dbraw/zinc/21/46/75/209214675.db2.gz MDQAGSVZEZTLQZ-JYJNAYRXSA-N 1 3 336.480 0.753 20 0 ECADHO NCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419814156 209211733 /nfs/dbraw/zinc/21/17/33/209211733.db2.gz HXIKCAFFKCYLHQ-DLBZAZTESA-N 1 3 344.459 0.574 20 0 ECADHO NCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419814156 209211736 /nfs/dbraw/zinc/21/17/36/209211736.db2.gz HXIKCAFFKCYLHQ-DLBZAZTESA-N 1 3 344.459 0.574 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000419781518 209203372 /nfs/dbraw/zinc/20/33/72/209203372.db2.gz SGIHAFXBJMRJQA-DZGCQCFKSA-N 1 3 338.496 0.809 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000419768349 209201465 /nfs/dbraw/zinc/20/14/65/209201465.db2.gz CLPPURXCUZHYEX-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)[NH+]1CCCCC1 ZINC000419714651 209183524 /nfs/dbraw/zinc/18/35/24/209183524.db2.gz ODUQTWHQPRJVTE-BZUAXINKSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419697159 209176092 /nfs/dbraw/zinc/17/60/92/209176092.db2.gz QEZHKOIGAXCPPN-KKUMJFAQSA-N 1 3 336.480 0.624 20 0 ECADHO N[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000419694760 209173991 /nfs/dbraw/zinc/17/39/91/209173991.db2.gz LITANXYGBYTXEO-WBVHZDCISA-N 1 3 344.459 0.936 20 0 ECADHO N[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000419694760 209173994 /nfs/dbraw/zinc/17/39/94/209173994.db2.gz LITANXYGBYTXEO-WBVHZDCISA-N 1 3 344.459 0.936 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419654478 209158686 /nfs/dbraw/zinc/15/86/86/209158686.db2.gz GNLDVVNPRVEDMT-WBVHZDCISA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH3+])CCN1Cc1ccccc1 ZINC000419656105 209160232 /nfs/dbraw/zinc/16/02/32/209160232.db2.gz IAYARPNDXPYIKD-GDBMZVCRSA-N 1 3 332.448 0.621 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419653181 209159467 /nfs/dbraw/zinc/15/94/67/209159467.db2.gz FNCSMQFTFVTKBA-WBVHZDCISA-N 1 3 346.475 0.834 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)c1 ZINC000419647791 209156155 /nfs/dbraw/zinc/15/61/55/209156155.db2.gz ROLZMKFHHSEHFM-INIZCTEOSA-N 1 3 332.448 0.623 20 0 ECADHO NC1(CNC(=O)C(=O)NC2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000419628244 209149012 /nfs/dbraw/zinc/14/90/12/209149012.db2.gz PIMMVATYJNIUID-UHFFFAOYSA-N 1 3 344.459 0.765 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)C1=CCN(C)CC1 ZINC000419621459 209146810 /nfs/dbraw/zinc/14/68/10/209146810.db2.gz FOTIEOZLFUUJNR-CQSZACIVSA-N 1 3 336.480 0.921 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000419578333 209132240 /nfs/dbraw/zinc/13/22/40/209132240.db2.gz FPCMYKGFYHMXPN-CZUORRHYSA-N 1 3 342.509 0.140 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419525264 209115532 /nfs/dbraw/zinc/11/55/32/209115532.db2.gz RJEQXQQRZBFHHZ-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000419501783 209110509 /nfs/dbraw/zinc/11/05/09/209110509.db2.gz BWVGZLXMQASBBJ-YMAMQOFZSA-N 1 3 326.485 0.857 20 0 ECADHO CCN1CCC[C@H]1CNc1nc(C)nc(NC[C@@H]2CCC[N@@H+]2CC)n1 ZINC000450214171 211314161 /nfs/dbraw/zinc/31/41/61/211314161.db2.gz GWHGFRMMBKGVER-HOTGVXAUSA-N 1 3 347.511 0.816 20 0 ECADHO CCN1CCC[C@H]1CNc1nc(C)nc(NC[C@@H]2CCC[N@H+]2CC)n1 ZINC000450214171 211314167 /nfs/dbraw/zinc/31/41/67/211314167.db2.gz GWHGFRMMBKGVER-HOTGVXAUSA-N 1 3 347.511 0.816 20 0 ECADHO O=C([C@H]1CC[NH2+]1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000444272184 211064431 /nfs/dbraw/zinc/06/44/31/211064431.db2.gz WIXMBETXLNQSFY-DLBZAZTESA-N 1 3 343.475 0.804 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339633962 297366606 /nfs/dbraw/zinc/36/66/06/297366606.db2.gz ISMHAYBTYSJHEB-UHFFFAOYSA-N 1 3 326.485 0.824 20 0 ECADHO [NH3+]CCCOC1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000430584909 210385013 /nfs/dbraw/zinc/38/50/13/210385013.db2.gz QFMCQPIHSBJFEE-UHFFFAOYSA-N 1 3 338.496 0.559 20 0 ECADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430652036 210395154 /nfs/dbraw/zinc/39/51/54/210395154.db2.gz WTYVEMCGLUCSIS-BZUAXINKSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419154355 209002924 /nfs/dbraw/zinc/00/29/24/209002924.db2.gz RKBLTRLQGLBPJA-UHFFFAOYSA-N 1 3 336.436 0.097 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)N1CCC(C)CC1 ZINC000419155941 209004805 /nfs/dbraw/zinc/00/48/05/209004805.db2.gz IZXRAHSUJLJHPU-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)CCOCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000471633368 254814494 /nfs/dbraw/zinc/81/44/94/254814494.db2.gz FSHSNMIETDDDTB-HNNXBMFYSA-N 1 3 342.484 0.365 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420177575 285233046 /nfs/dbraw/zinc/23/30/46/285233046.db2.gz SJEBQVAZJXKOFR-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419431638 209093927 /nfs/dbraw/zinc/09/39/27/209093927.db2.gz XMDMSFOAXQNUGB-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000419336751 209062300 /nfs/dbraw/zinc/06/23/00/209062300.db2.gz ANLJKEZWQWZFQB-DLBZAZTESA-N 1 3 346.475 0.615 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000419417161 209088035 /nfs/dbraw/zinc/08/80/35/209088035.db2.gz WWNOMYRTHWCMQD-OAHLLOKOSA-N 1 3 336.480 0.437 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000420803704 285317836 /nfs/dbraw/zinc/31/78/36/285317836.db2.gz MNPIXRBNYSUMNI-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000420803704 285317840 /nfs/dbraw/zinc/31/78/40/285317840.db2.gz MNPIXRBNYSUMNI-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO [NH3+][C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000119643844 221366179 /nfs/dbraw/zinc/36/61/79/221366179.db2.gz OECAHWRPNCBTIY-KRWDZBQOSA-N 1 3 344.459 0.843 20 0 ECADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333641213 297146171 /nfs/dbraw/zinc/14/61/71/297146171.db2.gz IHDMRPMYPNGJPL-QJPTWQEYSA-N 1 3 337.390 0.214 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)N1CCN(C)CC1 ZINC000333887926 297154350 /nfs/dbraw/zinc/15/43/50/297154350.db2.gz GIBAKEBJIFULOZ-BZUAXINKSA-N 1 3 325.501 0.650 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)N1CCN(C)CC1 ZINC000333887926 297154352 /nfs/dbraw/zinc/15/43/52/297154352.db2.gz GIBAKEBJIFULOZ-BZUAXINKSA-N 1 3 325.501 0.650 20 0 ECADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1CO ZINC000190423559 165020693 /nfs/dbraw/zinc/02/06/93/165020693.db2.gz MHDRNDJEVUMTDC-WMLDXEAASA-N 1 3 338.496 0.957 20 0 ECADHO CCN(CC)C(=O)[C@H](C)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519253 165085106 /nfs/dbraw/zinc/08/51/06/165085106.db2.gz BSAUAWWHEUNTEA-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000246449942 165134877 /nfs/dbraw/zinc/13/48/77/165134877.db2.gz XQBJQSWDUPAGHO-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000246449942 165134882 /nfs/dbraw/zinc/13/48/82/165134882.db2.gz XQBJQSWDUPAGHO-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N(C)C ZINC000261662575 165223358 /nfs/dbraw/zinc/22/33/58/165223358.db2.gz BDJPIQDTRVPEPO-ARFHVFGLSA-N 1 3 338.496 0.679 20 0 ECADHO CN(C)C(=O)COc1ccccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262074432 165285362 /nfs/dbraw/zinc/28/53/62/165285362.db2.gz DBIDTCJHFFYCLX-KRWDZBQOSA-N 1 3 346.475 0.633 20 0 ECADHO COC(=O)CCn1nc(C)c(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000262138833 165297489 /nfs/dbraw/zinc/29/74/89/165297489.db2.gz PIOYHRATBOHVFL-MRXNPFEDSA-N 1 3 349.479 0.543 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2CCNC[C@H]2c2cccnc2)CC1 ZINC000262184900 165305099 /nfs/dbraw/zinc/30/50/99/165305099.db2.gz JCBZRLYJFLURLX-KRWDZBQOSA-N 1 3 331.464 0.628 20 0 ECADHO O=C(C[C@@H]1CSCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000262836649 165393354 /nfs/dbraw/zinc/39/33/54/165393354.db2.gz WLFBGALAONBKBC-OAHLLOKOSA-N 1 3 327.494 0.652 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000419407957 209084603 /nfs/dbraw/zinc/08/46/03/209084603.db2.gz LAYJDRMFQSFCNF-OAHLLOKOSA-N 1 3 338.496 0.683 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000419412012 209085869 /nfs/dbraw/zinc/08/58/69/209085869.db2.gz QIBGKKHRWUWUBO-ARFHVFGLSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C(=O)NCC[NH3+] ZINC000419412536 209086817 /nfs/dbraw/zinc/08/68/17/209086817.db2.gz CLXMBJXIPKSOKF-INIZCTEOSA-N 1 3 346.475 0.651 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000419045435 287343170 /nfs/dbraw/zinc/34/31/70/287343170.db2.gz NYEFKVLGBVNGJF-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO CO[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@H](C[NH3+])C1 ZINC000359237865 299826699 /nfs/dbraw/zinc/82/66/99/299826699.db2.gz MSSMQUKFHXUMHW-HOTGVXAUSA-N 1 3 339.480 0.986 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000340199814 437595477 /nfs/dbraw/zinc/59/54/77/437595477.db2.gz ADYRNYHMFLIOTI-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO COC(=O)COC[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000449185850 277064167 /nfs/dbraw/zinc/06/41/67/277064167.db2.gz JVQDBHGKMIQSQM-CWRNSKLLSA-N 1 3 328.453 0.922 20 0 ECADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000418841680 277149490 /nfs/dbraw/zinc/14/94/90/277149490.db2.gz HDDHHIVPIINWKV-HNNXBMFYSA-N 1 3 338.496 0.999 20 0 ECADHO CC(C)(CNC(=O)N(CC[NH3+])CCO)N1CCc2ccccc2C1 ZINC000417088358 277300374 /nfs/dbraw/zinc/30/03/74/277300374.db2.gz KDPLNCASXHIFCN-UHFFFAOYSA-N 1 3 334.464 0.786 20 0 ECADHO COCCN1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000360411820 437597753 /nfs/dbraw/zinc/59/77/53/437597753.db2.gz CXEUSNXQZGBLPP-INIZCTEOSA-N 1 3 344.525 0.834 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000343520454 437599074 /nfs/dbraw/zinc/59/90/74/437599074.db2.gz PVIZLTLCESYXPE-GVDBMIGSSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422265128 278188995 /nfs/dbraw/zinc/18/89/95/278188995.db2.gz VBPHQHDALNNGFC-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422265128 278188996 /nfs/dbraw/zinc/18/89/96/278188996.db2.gz VBPHQHDALNNGFC-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418946191 278268773 /nfs/dbraw/zinc/26/87/73/278268773.db2.gz MRWCLCUNBAGLRO-GOEBONIOSA-N 1 3 332.448 0.491 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420032509 278857109 /nfs/dbraw/zinc/85/71/09/278857109.db2.gz ICCJZQKRPTVZDU-UONOGXRCSA-N 1 3 342.484 0.262 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422188972 279125896 /nfs/dbraw/zinc/12/58/96/279125896.db2.gz MNYIULFNWFSKPO-GJZGRUSLSA-N 1 3 326.485 0.774 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1=O ZINC000435242458 279303386 /nfs/dbraw/zinc/30/33/86/279303386.db2.gz ZUPOMXGAZOXNPM-USXIJHARSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000340215598 437602768 /nfs/dbraw/zinc/60/27/68/437602768.db2.gz CBTVMPSZCUAIEL-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420207313 279913361 /nfs/dbraw/zinc/91/33/61/279913361.db2.gz QIEHVPZDVHOMMI-YYIAUSFCSA-N 1 3 348.491 0.578 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N1CCCNCC1)[NH+]1CCC(C)CC1 ZINC000419367877 280239588 /nfs/dbraw/zinc/23/95/88/280239588.db2.gz DWSXXWAEAZFMDP-INIZCTEOSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340214651 437604640 /nfs/dbraw/zinc/60/46/40/437604640.db2.gz NLZBOXMBTVBJME-IIAWOOMASA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000340214651 437604643 /nfs/dbraw/zinc/60/46/43/437604643.db2.gz NLZBOXMBTVBJME-IIAWOOMASA-N 1 3 336.480 0.433 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000179315328 289068251 /nfs/dbraw/zinc/06/82/51/289068251.db2.gz ZFWGFQIHKTVWFF-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)CCN1CCC([NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182342387 289153492 /nfs/dbraw/zinc/15/34/92/289153492.db2.gz AGMRQANXCJVYMQ-HOTGVXAUSA-N 1 3 331.526 0.958 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])Cc1ccccc1 ZINC000418852208 289275287 /nfs/dbraw/zinc/27/52/87/289275287.db2.gz QJLAYOASRSZRHM-MRXNPFEDSA-N 1 3 348.491 0.719 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418829303 289351029 /nfs/dbraw/zinc/35/10/29/289351029.db2.gz DLYDNGINJDKNBJ-HOTGVXAUSA-N 1 3 332.448 0.083 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C[C@@H]1C[NH3+] ZINC000418990964 290529055 /nfs/dbraw/zinc/52/90/55/290529055.db2.gz WUURLOKCMPGHNF-YOEHRIQHSA-N 1 3 346.475 0.808 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332674002 297064211 /nfs/dbraw/zinc/06/42/11/297064211.db2.gz NPQPQPAVRMWTPK-JYJNAYRXSA-N 1 3 336.480 0.802 20 0 ECADHO O=C(C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CC[C@H](N2CCCCC2)C1 ZINC000423273916 295413256 /nfs/dbraw/zinc/41/32/56/295413256.db2.gz LMAYZZQEDLMUNL-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333341153 297126579 /nfs/dbraw/zinc/12/65/79/297126579.db2.gz YAQYAQNFWWQAJP-CQSZACIVSA-N 1 3 333.440 0.444 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333557641 297141583 /nfs/dbraw/zinc/14/15/83/297141583.db2.gz KLEVTNYHOQCPIZ-MSQAHXEGSA-N 1 3 332.452 0.339 20 0 ECADHO C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1=CCN(C)CC1 ZINC000333585857 297143395 /nfs/dbraw/zinc/14/33/95/297143395.db2.gz OLWJSEFEFOZHNQ-VBNZEHGJSA-N 1 3 332.452 0.507 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000333625955 297145408 /nfs/dbraw/zinc/14/54/08/297145408.db2.gz VAGLEUSAUMTTQY-JKSUJKDBSA-N 1 3 334.468 0.729 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cnn(C)c1 ZINC000337483247 297191465 /nfs/dbraw/zinc/19/14/65/297191465.db2.gz XUGPBQXBJDFAEM-OAHLLOKOSA-N 1 3 337.468 0.673 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cnn(C)c1 ZINC000337483247 297191468 /nfs/dbraw/zinc/19/14/68/297191468.db2.gz XUGPBQXBJDFAEM-OAHLLOKOSA-N 1 3 337.468 0.673 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCN1C ZINC000420160830 297256572 /nfs/dbraw/zinc/25/65/72/297256572.db2.gz BPGYRZVPXVRUFP-QLFBSQMISA-N 1 3 338.496 0.822 20 0 ECADHO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000339741557 297376483 /nfs/dbraw/zinc/37/64/83/297376483.db2.gz DNACPILYJKKGEJ-KRWDZBQOSA-N 1 3 344.459 0.671 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339741919 297376495 /nfs/dbraw/zinc/37/64/95/297376495.db2.gz DPPVCMQDIMYGPR-UHFFFAOYSA-N 1 3 346.475 0.917 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCC(=O)N1 ZINC000345192433 298128563 /nfs/dbraw/zinc/12/85/63/298128563.db2.gz CXSCOOUANSBHQN-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCC(=O)N1 ZINC000345192433 298128564 /nfs/dbraw/zinc/12/85/64/298128564.db2.gz CXSCOOUANSBHQN-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)CCC[N@@H+]1C ZINC000345740456 298189269 /nfs/dbraw/zinc/18/92/69/298189269.db2.gz HILYEAYCNKPUGK-CVEARBPZSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)CCC[N@H+]1C ZINC000345740456 298189272 /nfs/dbraw/zinc/18/92/72/298189272.db2.gz HILYEAYCNKPUGK-CVEARBPZSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)C1=CC[N@H+](C)CC1 ZINC000346109797 298228124 /nfs/dbraw/zinc/22/81/24/298228124.db2.gz MTNGIEFOMUUHGH-YDHLFZDLSA-N 1 3 334.464 0.494 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000346109797 298228126 /nfs/dbraw/zinc/22/81/26/298228126.db2.gz MTNGIEFOMUUHGH-YDHLFZDLSA-N 1 3 334.464 0.494 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cnn(CC(F)(F)F)c2)C1 ZINC000347019212 298389317 /nfs/dbraw/zinc/38/93/17/298389317.db2.gz LUKIIFQJNDOLFH-GFCCVEGCSA-N 1 3 333.358 0.732 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000347050073 298395029 /nfs/dbraw/zinc/39/50/29/298395029.db2.gz FEQBIHWHDAWMSO-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000347061221 298395857 /nfs/dbraw/zinc/39/58/57/298395857.db2.gz DSBAKLPRRDZKQE-CQSZACIVSA-N 1 3 328.457 0.117 20 0 ECADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000353423749 299046993 /nfs/dbraw/zinc/04/69/93/299046993.db2.gz DEXZWXGXWBXOAQ-NVXWUHKLSA-N 1 3 338.496 0.679 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000360677418 300014155 /nfs/dbraw/zinc/01/41/55/300014155.db2.gz YOOSSYZVQDPSJY-UKRRQHHQSA-N 1 3 330.498 0.444 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)c1cccn1C1CC[NH2+]CC1 ZINC000361720469 300119203 /nfs/dbraw/zinc/11/92/03/300119203.db2.gz ZSYMPXVQHQQTKA-UHFFFAOYSA-N 1 3 334.464 0.989 20 0 ECADHO CC(C)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(=O)NCCN(C)C ZINC000362954414 300235779 /nfs/dbraw/zinc/23/57/79/300235779.db2.gz KOXXDRBMRIYXHZ-MRXNPFEDSA-N 1 3 340.512 0.927 20 0 ECADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1-n1cncn1 ZINC000364129713 300327831 /nfs/dbraw/zinc/32/78/31/300327831.db2.gz ZWRAAZNVJYRJAX-AWEZNQCLSA-N 1 3 328.424 0.761 20 0 ECADHO O=C(NCCCN1CC[NH2+]CC1)C1CCN(Cc2cccnc2)CC1 ZINC000364888069 300397881 /nfs/dbraw/zinc/39/78/81/300397881.db2.gz MOOBTTKVEGREDM-UHFFFAOYSA-N 1 3 345.491 0.705 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000072954188 436064580 /nfs/dbraw/zinc/06/45/80/436064580.db2.gz QNMFIKFEIKHHQD-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000072954188 436064582 /nfs/dbraw/zinc/06/45/82/436064582.db2.gz QNMFIKFEIKHHQD-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000074655449 436132770 /nfs/dbraw/zinc/13/27/70/436132770.db2.gz WRYQQWVDUNZIES-SJORKVTESA-N 1 3 339.528 0.853 20 0 ECADHO C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000074655449 436132773 /nfs/dbraw/zinc/13/27/73/436132773.db2.gz WRYQQWVDUNZIES-SJORKVTESA-N 1 3 339.528 0.853 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1noc(C)n1 ZINC000074610887 436133135 /nfs/dbraw/zinc/13/31/35/436133135.db2.gz OFGLZHFHLUQZDA-CQSZACIVSA-N 1 3 338.456 0.936 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1noc(C)n1 ZINC000074610887 436133141 /nfs/dbraw/zinc/13/31/41/436133141.db2.gz OFGLZHFHLUQZDA-CQSZACIVSA-N 1 3 338.456 0.936 20 0 ECADHO CCN1CCO[C@H](C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000074676303 436136656 /nfs/dbraw/zinc/13/66/56/436136656.db2.gz OHLYVHLSQOGTCR-INIZCTEOSA-N 1 3 326.485 0.192 20 0 ECADHO CCN1CCO[C@H](C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000074676303 436136659 /nfs/dbraw/zinc/13/66/59/436136659.db2.gz OHLYVHLSQOGTCR-INIZCTEOSA-N 1 3 326.485 0.192 20 0 ECADHO CCN1CCO[C@H](C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000074676303 436136664 /nfs/dbraw/zinc/13/66/64/436136664.db2.gz OHLYVHLSQOGTCR-INIZCTEOSA-N 1 3 326.485 0.192 20 0 ECADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074157322 436111858 /nfs/dbraw/zinc/11/18/58/436111858.db2.gz NACWWLXXHDMYMX-JKSUJKDBSA-N 1 3 338.496 0.587 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000372505393 301005804 /nfs/dbraw/zinc/00/58/04/301005804.db2.gz QUQCGQUIVPEHII-OAHLLOKOSA-N 1 3 326.485 0.959 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000372505393 301005806 /nfs/dbraw/zinc/00/58/06/301005806.db2.gz QUQCGQUIVPEHII-OAHLLOKOSA-N 1 3 326.485 0.959 20 0 ECADHO CN(CCC(=O)N1CCOCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373164703 301051007 /nfs/dbraw/zinc/05/10/07/301051007.db2.gz DCVZFBHVFKEOCD-QGZVFWFLSA-N 1 3 338.496 0.336 20 0 ECADHO CN(CCC(=O)N1CCOCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373164703 301051009 /nfs/dbraw/zinc/05/10/09/301051009.db2.gz DCVZFBHVFKEOCD-QGZVFWFLSA-N 1 3 338.496 0.336 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000377807134 301377708 /nfs/dbraw/zinc/37/77/08/301377708.db2.gz NTXLOWPZDCOKMY-NVXWUHKLSA-N 1 3 338.496 0.633 20 0 ECADHO CCN1CCO[C@@H](C(=O)NCC2CCN(CC[NH+](C)C)CC2)C1 ZINC000081397026 436345723 /nfs/dbraw/zinc/34/57/23/436345723.db2.gz PUNBNXHDIGWGQA-MRXNPFEDSA-N 1 3 326.485 0.097 20 0 ECADHO C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CN1CCOCC1 ZINC000524923383 301827649 /nfs/dbraw/zinc/82/76/49/301827649.db2.gz NPGCHXVZLUORSI-INIZCTEOSA-N 1 3 343.516 0.090 20 0 ECADHO CC(=O)N1c2ccccc2C[C@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103213212 436552789 /nfs/dbraw/zinc/55/27/89/436552789.db2.gz YNGMXDDLUKWMJG-SFHVURJKSA-N 1 3 346.475 0.916 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000103212779 436553102 /nfs/dbraw/zinc/55/31/02/436553102.db2.gz HRXATMOYJBEMHQ-UHFFFAOYSA-N 1 3 333.436 0.281 20 0 ECADHO COC(=O)N1CCC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000104534022 436558522 /nfs/dbraw/zinc/55/85/22/436558522.db2.gz VTJWFIIVNKSBIT-AWEZNQCLSA-N 1 3 328.457 0.417 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000104532951 436558560 /nfs/dbraw/zinc/55/85/60/436558560.db2.gz GPRMCXZMNQZGHX-UHFFFAOYSA-N 1 3 347.463 0.782 20 0 ECADHO CN1CCC(O)(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530619941 302019888 /nfs/dbraw/zinc/01/98/88/302019888.db2.gz ARCLHUHOBRWMDZ-IBGZPJMESA-N 1 3 347.459 0.196 20 0 ECADHO CN1CCC(O)(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530619941 302019890 /nfs/dbraw/zinc/01/98/90/302019890.db2.gz ARCLHUHOBRWMDZ-IBGZPJMESA-N 1 3 347.459 0.196 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000535631344 302122150 /nfs/dbraw/zinc/12/21/50/302122150.db2.gz LCQJCQSUCZVXBW-OKZBNKHCSA-N 1 3 331.460 0.937 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000535631344 302122151 /nfs/dbraw/zinc/12/21/51/302122151.db2.gz LCQJCQSUCZVXBW-OKZBNKHCSA-N 1 3 331.460 0.937 20 0 ECADHO Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000550483672 302347045 /nfs/dbraw/zinc/34/70/45/302347045.db2.gz YAMOYBIOVNMALC-UHFFFAOYSA-N 1 3 340.493 0.625 20 0 ECADHO C[C@H](NC(=O)C1CCCC1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551763116 302363011 /nfs/dbraw/zinc/36/30/11/302363011.db2.gz WZHZYGRXWLAVCW-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)N[C@H](C)C2)CC1=O ZINC000247300007 436792054 /nfs/dbraw/zinc/79/20/54/436792054.db2.gz OXJSOUBTIASDMG-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)N[C@H](C)C2)CC1=O ZINC000247300007 436792056 /nfs/dbraw/zinc/79/20/56/436792056.db2.gz OXJSOUBTIASDMG-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000262306220 436922171 /nfs/dbraw/zinc/92/21/71/436922171.db2.gz AXCQIHNRXPRURK-IRXDYDNUSA-N 1 3 332.448 0.485 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000136197252 436930255 /nfs/dbraw/zinc/93/02/55/436930255.db2.gz BPBIUMYNHLWILW-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000263228722 436957586 /nfs/dbraw/zinc/95/75/86/436957586.db2.gz HHGLYZXFLAPJHK-KRWDZBQOSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000331483587 437104107 /nfs/dbraw/zinc/10/41/07/437104107.db2.gz XPGQICLFQPBCIJ-FXUDXRNXSA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000177502656 437188666 /nfs/dbraw/zinc/18/86/66/437188666.db2.gz WATCUVCYLJYZLN-OKILXGFUSA-N 1 3 340.468 0.783 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332004415 437194315 /nfs/dbraw/zinc/19/43/15/437194315.db2.gz WMIZTBMXPQHZAV-CAOSSQGBSA-N 1 3 336.480 0.372 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1(C)C ZINC000333733316 437285291 /nfs/dbraw/zinc/28/52/91/437285291.db2.gz IAUWPHZOOXHQPF-KRWDZBQOSA-N 1 3 325.501 0.701 20 0 ECADHO C[C@@H](CNC(=O)N(C)CCCN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000182408018 437348777 /nfs/dbraw/zinc/34/87/77/437348777.db2.gz SSXZJPYYTOQXLV-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCC2(C[NH+](C)C)CCCC2)CC1=O ZINC000185079567 437424668 /nfs/dbraw/zinc/42/46/68/437424668.db2.gz ZIDCWMUIFDBLJP-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c(C)c2)CC1 ZINC000269244395 437474100 /nfs/dbraw/zinc/47/41/00/437474100.db2.gz CRIGQLAIJKUCDU-NVXWUHKLSA-N 1 3 332.448 0.798 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339637359 437481135 /nfs/dbraw/zinc/48/11/35/437481135.db2.gz YOSIFAOSQSULGT-INIZCTEOSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)C1=CCN(C)CC1 ZINC000339651973 437485227 /nfs/dbraw/zinc/48/52/27/437485227.db2.gz PJIJFJGXPYYOSN-CQSZACIVSA-N 1 3 336.480 0.744 20 0 ECADHO CNC(=O)C[C@@H](C)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268968096 437443185 /nfs/dbraw/zinc/44/31/85/437443185.db2.gz YUHZNFRYPXLEGM-PBHICJAKSA-N 1 3 346.475 0.998 20 0 ECADHO CNC(=O)C[C@@H](C)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268968096 437443188 /nfs/dbraw/zinc/44/31/88/437443188.db2.gz YUHZNFRYPXLEGM-PBHICJAKSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000185824158 437453877 /nfs/dbraw/zinc/45/38/77/437453877.db2.gz YPYBYPGURHFZLP-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000185824158 437453881 /nfs/dbraw/zinc/45/38/81/437453881.db2.gz YPYBYPGURHFZLP-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C(C)(C)C[NH+](C)C ZINC000339401492 437463823 /nfs/dbraw/zinc/46/38/23/437463823.db2.gz AYNFENICRKABDJ-ZNMIVQPWSA-N 1 3 338.496 0.774 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)N1CCOCC1 ZINC000339703286 437500459 /nfs/dbraw/zinc/50/04/59/437500459.db2.gz ZOJZGDFWBFXFFX-IAGOWNOFSA-N 1 3 340.512 0.582 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)N1CCOCC1 ZINC000339703286 437500466 /nfs/dbraw/zinc/50/04/66/437500466.db2.gz ZOJZGDFWBFXFFX-IAGOWNOFSA-N 1 3 340.512 0.582 20 0 ECADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000343144227 437514578 /nfs/dbraw/zinc/51/45/78/437514578.db2.gz HSDSOKFDDJJAPN-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000343144227 437514580 /nfs/dbraw/zinc/51/45/80/437514580.db2.gz HSDSOKFDDJJAPN-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339964050 437531275 /nfs/dbraw/zinc/53/12/75/437531275.db2.gz AIXBLNVXSHZGOZ-BLLLJJGKSA-N 1 3 334.464 0.328 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000360162735 437540988 /nfs/dbraw/zinc/54/09/88/437540988.db2.gz MMBRPOBTBPFVHP-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000360162735 437540995 /nfs/dbraw/zinc/54/09/95/437540995.db2.gz MMBRPOBTBPFVHP-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000339671768 437490592 /nfs/dbraw/zinc/49/05/92/437490592.db2.gz SAJGNIIKOUMMBY-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc3c(c2)CNCCO3)CC1=O ZINC000291039343 437554559 /nfs/dbraw/zinc/55/45/59/437554559.db2.gz HXFJTJXAEFPRCF-CQSZACIVSA-N 1 3 346.431 0.517 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000343678908 437626031 /nfs/dbraw/zinc/62/60/31/437626031.db2.gz PYPKHUUASAFAEW-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340482890 437664898 /nfs/dbraw/zinc/66/48/98/437664898.db2.gz GGSYFQFPDYOQMS-ARFHVFGLSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340482890 437664902 /nfs/dbraw/zinc/66/49/02/437664902.db2.gz GGSYFQFPDYOQMS-ARFHVFGLSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340520006 437684422 /nfs/dbraw/zinc/68/44/22/437684422.db2.gz XCPKTLJODVECEL-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340520006 437684425 /nfs/dbraw/zinc/68/44/25/437684425.db2.gz XCPKTLJODVECEL-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(CCC(=O)N2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343924371 437697073 /nfs/dbraw/zinc/69/70/73/437697073.db2.gz NPVOVHAYSRAFPI-SJORKVTESA-N 1 3 338.496 0.193 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)C[C@@H]21 ZINC000415263256 437770804 /nfs/dbraw/zinc/77/08/04/437770804.db2.gz MXPQTLXUDSDFRL-DOMZBBRYSA-N 1 3 332.404 0.125 20 0 ECADHO O=C(CCCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000340999148 437772943 /nfs/dbraw/zinc/77/29/43/437772943.db2.gz UJBNQLWCAXHFQW-HUUCEWRRSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(CCCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000340999148 437772953 /nfs/dbraw/zinc/77/29/53/437772953.db2.gz UJBNQLWCAXHFQW-HUUCEWRRSA-N 1 3 348.491 0.863 20 0 ECADHO CN(C)CCN(C)CCC[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000344062862 437727015 /nfs/dbraw/zinc/72/70/15/437727015.db2.gz NNIGDWJBQQWPDO-OAHLLOKOSA-N 1 3 334.530 0.083 20 0 ECADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000344062862 437727018 /nfs/dbraw/zinc/72/70/18/437727018.db2.gz NNIGDWJBQQWPDO-OAHLLOKOSA-N 1 3 334.530 0.083 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362526475 437741560 /nfs/dbraw/zinc/74/15/60/437741560.db2.gz ROFFYOABQUTTJX-UKRRQHHQSA-N 1 3 325.453 0.575 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362526475 437741564 /nfs/dbraw/zinc/74/15/64/437741564.db2.gz ROFFYOABQUTTJX-UKRRQHHQSA-N 1 3 325.453 0.575 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@H]1CN ZINC000423743167 437820338 /nfs/dbraw/zinc/82/03/38/437820338.db2.gz VKBFAJYAUVIXKJ-OAGGEKHMSA-N 1 3 336.480 0.517 20 0 ECADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000370739253 437827747 /nfs/dbraw/zinc/82/77/47/437827747.db2.gz NBGJKVSFVFAQLH-DZFIZOCASA-N 1 3 328.460 0.841 20 0 ECADHO C[C@@H](CCO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341087848 437790211 /nfs/dbraw/zinc/79/02/11/437790211.db2.gz PXBWSCGKHUHDNM-AWEZNQCLSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1CCN(C)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341151645 437803478 /nfs/dbraw/zinc/80/34/78/437803478.db2.gz ARPCPRSDMYCXKU-HUUCEWRRSA-N 1 3 339.484 0.309 20 0 ECADHO C[C@@H]1CCN(C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341151645 437803485 /nfs/dbraw/zinc/80/34/85/437803485.db2.gz ARPCPRSDMYCXKU-HUUCEWRRSA-N 1 3 339.484 0.309 20 0 ECADHO CN(C)CCN(C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CCCC1 ZINC000423709769 437807102 /nfs/dbraw/zinc/80/71/02/437807102.db2.gz JCIKOIGVMFIMCB-AWEZNQCLSA-N 1 3 334.468 0.977 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000423997241 437874205 /nfs/dbraw/zinc/87/42/05/437874205.db2.gz XYUCHJGMXUFAKV-QGZVFWFLSA-N 1 3 332.448 0.547 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OCCN(C)C ZINC000415766574 437857435 /nfs/dbraw/zinc/85/74/35/437857435.db2.gz XFXJZVDPLHGKJX-FOLVSLTJSA-N 1 3 346.431 0.208 20 0 ECADHO [NH3+]CCOc1ccc(NC(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC000415945070 437880826 /nfs/dbraw/zinc/88/08/26/437880826.db2.gz KMRNHGXSYZQYOG-HNNXBMFYSA-N 1 3 336.436 0.992 20 0 ECADHO [NH3+]CC[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C(F)(F)F ZINC000416039428 437885730 /nfs/dbraw/zinc/88/57/30/437885730.db2.gz GMARKZGQUKBFHO-QWRGUYRKSA-N 1 3 326.363 0.412 20 0 ECADHO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H]1CN1CCCC1 ZINC000424156121 437893522 /nfs/dbraw/zinc/89/35/22/437893522.db2.gz NPGPNTXXMMOTLA-LSDHHAIUSA-N 1 3 332.452 0.903 20 0 ECADHO COCC(C)(C)N1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000424217865 437905953 /nfs/dbraw/zinc/90/59/53/437905953.db2.gz OSUGWZOQGHOUAO-CYBMUJFWSA-N 1 3 335.452 0.669 20 0 ECADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)C2C[NH2+]C2)CC1 ZINC000357088534 437910942 /nfs/dbraw/zinc/91/09/42/437910942.db2.gz XRCAJNBIZNZQEW-UHFFFAOYSA-N 1 3 330.476 0.933 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)N(C)C1CC1 ZINC000342057156 437954860 /nfs/dbraw/zinc/95/48/60/437954860.db2.gz OSMPYSALUCYYOM-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)N(C)C1CC1 ZINC000342072716 437958798 /nfs/dbraw/zinc/95/87/98/437958798.db2.gz IPZVGPQAHRUILS-AWEZNQCLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C1CC1 ZINC000341992398 437935711 /nfs/dbraw/zinc/93/57/11/437935711.db2.gz IYDLYSMOOPNRBL-OLZOCXBDSA-N 1 3 326.485 0.678 20 0 ECADHO COCCN(C)CCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417089026 438022835 /nfs/dbraw/zinc/02/28/35/438022835.db2.gz INKPVRHIIKGWLB-CVEARBPZSA-N 1 3 326.485 0.986 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425388800 438025614 /nfs/dbraw/zinc/02/56/14/438025614.db2.gz OXWVGDAYKLUSJE-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)C1 ZINC000372098827 438033053 /nfs/dbraw/zinc/03/30/53/438033053.db2.gz OATBRRHOBUEAMZ-ZWKOTPCHSA-N 1 3 330.476 0.795 20 0 ECADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)C1 ZINC000372098827 438033056 /nfs/dbraw/zinc/03/30/56/438033056.db2.gz OATBRRHOBUEAMZ-ZWKOTPCHSA-N 1 3 330.476 0.795 20 0 ECADHO C[C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCN1 ZINC000417398674 438045692 /nfs/dbraw/zinc/04/56/92/438045692.db2.gz ZALKRLJHTFZLBX-MRXNPFEDSA-N 1 3 346.479 0.597 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417431098 438048587 /nfs/dbraw/zinc/04/85/87/438048587.db2.gz QPCXHXMCCGTGLF-CQSZACIVSA-N 1 3 341.500 0.746 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417434286 438049445 /nfs/dbraw/zinc/04/94/45/438049445.db2.gz XBKVLKZDAQQLGH-NEPJUHHUSA-N 1 3 349.426 0.211 20 0 ECADHO CN(C)[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000416852575 437995605 /nfs/dbraw/zinc/99/56/05/437995605.db2.gz SGXVXHHKDWNHKZ-QGZVFWFLSA-N 1 3 333.480 0.364 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417417927 438050057 /nfs/dbraw/zinc/05/00/57/438050057.db2.gz AUIYIHWXILYUFC-ZIAGYGMSSA-N 1 3 327.473 0.226 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)CC1 ZINC000342341030 438004934 /nfs/dbraw/zinc/00/49/34/438004934.db2.gz AOYSFHMXQILNLB-CGTJXYLNSA-N 1 3 349.523 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)CC1 ZINC000342341030 438004937 /nfs/dbraw/zinc/00/49/37/438004937.db2.gz AOYSFHMXQILNLB-CGTJXYLNSA-N 1 3 349.523 0.891 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000416973129 438010018 /nfs/dbraw/zinc/01/00/18/438010018.db2.gz ICMAHQIPWSPCRJ-IYBDPMFKSA-N 1 3 332.448 0.988 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1=CCN(C)CC1 ZINC000348760000 438093786 /nfs/dbraw/zinc/09/37/86/438093786.db2.gz DNKWSUMDURFYIH-HOTGVXAUSA-N 1 3 348.491 0.697 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000417648467 438065591 /nfs/dbraw/zinc/06/55/91/438065591.db2.gz HQFQPUIMDUBFQD-SFHVURJKSA-N 1 3 345.491 0.855 20 0 ECADHO COCCCN(C)CCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417754538 438075830 /nfs/dbraw/zinc/07/58/30/438075830.db2.gz PRXHUQTUTCMNPI-CVEARBPZSA-N 1 3 326.485 0.986 20 0 ECADHO CN(CCNC(=O)C1CCN(C(=O)CC[NH3+])CC1)Cc1ccccc1 ZINC000430809019 438123877 /nfs/dbraw/zinc/12/38/77/438123877.db2.gz ONOCJZDISRXOCU-UHFFFAOYSA-N 1 3 346.475 0.822 20 0 ECADHO C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CCN(C2CCC2)C1 ZINC000418286687 438124470 /nfs/dbraw/zinc/12/44/70/438124470.db2.gz IKMPWAWDDVBOJM-INIZCTEOSA-N 1 3 337.512 0.798 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)CC1(C)C ZINC000373019261 438125322 /nfs/dbraw/zinc/12/53/22/438125322.db2.gz CXDVCJGKIILXGB-CVEARBPZSA-N 1 3 337.512 0.748 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)CC1(C)C ZINC000373019261 438125327 /nfs/dbraw/zinc/12/53/27/438125327.db2.gz CXDVCJGKIILXGB-CVEARBPZSA-N 1 3 337.512 0.748 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000418310970 438129908 /nfs/dbraw/zinc/12/99/08/438129908.db2.gz ZPWCUDRJDRLAOV-UHFFFAOYSA-N 1 3 347.507 0.973 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418354678 438133436 /nfs/dbraw/zinc/13/34/36/438133436.db2.gz BBRVZARQDGACKQ-INIZCTEOSA-N 1 3 325.501 0.798 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418341001 438134396 /nfs/dbraw/zinc/13/43/96/438134396.db2.gz GYQWOKYGMLEPRB-HZPDHXFCSA-N 1 3 326.485 0.768 20 0 ECADHO COC1(C(=O)NC2CCN(CCOC(C)C)CC2)CC[NH2+]CC1 ZINC000431026558 438142261 /nfs/dbraw/zinc/14/22/61/438142261.db2.gz ROGDCXAVNUTNMR-UHFFFAOYSA-N 1 3 327.469 0.761 20 0 ECADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1 ZINC000431046363 438144051 /nfs/dbraw/zinc/14/40/51/438144051.db2.gz CVXMYEYHVLVQEY-OAHLLOKOSA-N 1 3 334.420 0.894 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418430447 438144385 /nfs/dbraw/zinc/14/43/85/438144385.db2.gz UTCWYRPUXDTSAX-LSDHHAIUSA-N 1 3 339.484 0.308 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418430444 438145665 /nfs/dbraw/zinc/14/56/65/438145665.db2.gz UTCWYRPUXDTSAX-CABCVRRESA-N 1 3 339.484 0.308 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000367029665 438156350 /nfs/dbraw/zinc/15/63/50/438156350.db2.gz MXIBPBKLFKEEHD-GOSISDBHSA-N 1 3 346.475 0.633 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2CNCCO2)cc1 ZINC000418537121 438159647 /nfs/dbraw/zinc/15/96/47/438159647.db2.gz CMBLWELCYQMENT-IKGGRYGDSA-N 1 3 348.447 0.428 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000418848197 438214512 /nfs/dbraw/zinc/21/45/12/438214512.db2.gz LBNHWFJOKKJYKV-HZPDHXFCSA-N 1 3 332.448 0.129 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])c1ccccc1 ZINC000418859805 438222272 /nfs/dbraw/zinc/22/22/72/438222272.db2.gz KZTFEOZKBKLQHM-HOCLYGCPSA-N 1 3 334.464 0.897 20 0 ECADHO COC(=O)CNC(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374777681 438228277 /nfs/dbraw/zinc/22/82/77/438228277.db2.gz HZGOXJBGBRFKJP-CQSZACIVSA-N 1 3 348.447 0.908 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000418877157 438231962 /nfs/dbraw/zinc/23/19/62/438231962.db2.gz NWCZSJHMOLPAHS-XIRDDKMYSA-N 1 3 346.475 0.471 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418880581 438234578 /nfs/dbraw/zinc/23/45/78/438234578.db2.gz VOLUIOPLOPOTEQ-JKSUJKDBSA-N 1 3 334.464 0.375 20 0 ECADHO CN1CC[NH+](CC2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)CC1 ZINC000433329883 438238650 /nfs/dbraw/zinc/23/86/50/438238650.db2.gz HWXHKELKIMONJA-QGZVFWFLSA-N 1 3 349.523 0.892 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000350968898 438242733 /nfs/dbraw/zinc/24/27/33/438242733.db2.gz CGTWPRIQJKPIHC-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCN(C(=O)C2CC2)CC1 ZINC000358515641 438243443 /nfs/dbraw/zinc/24/34/43/438243443.db2.gz MXXFOLLWGWPZIN-UHFFFAOYSA-N 1 3 334.464 0.143 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000358521823 438244301 /nfs/dbraw/zinc/24/43/01/438244301.db2.gz PNQMRQJOIBVQFS-OAGGEKHMSA-N 1 3 325.501 0.604 20 0 ECADHO COCCN(C)CC[C@@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000432531704 438200356 /nfs/dbraw/zinc/20/03/56/438200356.db2.gz OUJLATXLQGYENN-GVDBMIGSSA-N 1 3 335.448 0.535 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418829273 438205140 /nfs/dbraw/zinc/20/51/40/438205140.db2.gz DJSNLMLTJYNUMI-BBWFWOEESA-N 1 3 346.475 0.519 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418829275 438205291 /nfs/dbraw/zinc/20/52/91/438205291.db2.gz DJSNLMLTJYNUMI-ULQDDVLXSA-N 1 3 346.475 0.519 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N(C)Cc1ccccc1 ZINC000418937441 438255484 /nfs/dbraw/zinc/25/54/84/438255484.db2.gz CNDVXXVZTBEFJS-INMHGKMJSA-N 1 3 346.475 0.880 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000418939952 438257319 /nfs/dbraw/zinc/25/73/19/438257319.db2.gz RKYHMHJVORFOHF-HNNXBMFYSA-N 1 3 326.485 0.858 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N(C)Cc1ccccc1 ZINC000418949885 438261510 /nfs/dbraw/zinc/26/15/10/438261510.db2.gz QEWXEWSDXBNYCX-INMHGKMJSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N(C)Cc1ccccc1 ZINC000418954427 438263882 /nfs/dbraw/zinc/26/38/82/438263882.db2.gz WGAAZGCFFQETNT-XJKSGUPXSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000418962645 438265546 /nfs/dbraw/zinc/26/55/46/438265546.db2.gz KZVYRNZNGDKCKP-ZBFHGGJFSA-N 1 3 332.448 0.491 20 0 ECADHO C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000351484950 438268090 /nfs/dbraw/zinc/26/80/90/438268090.db2.gz GZTDNIZZFZJGPV-KRWDZBQOSA-N 1 3 339.480 0.545 20 0 ECADHO C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000351484950 438268092 /nfs/dbraw/zinc/26/80/92/438268092.db2.gz GZTDNIZZFZJGPV-KRWDZBQOSA-N 1 3 339.480 0.545 20 0 ECADHO CN(CCCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418996038 438277585 /nfs/dbraw/zinc/27/75/85/438277585.db2.gz JPIKVAZUMFHYTC-MRXNPFEDSA-N 1 3 346.475 0.741 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000351527238 438278894 /nfs/dbraw/zinc/27/88/94/438278894.db2.gz YYUCTYVGLLVSDG-HYVNUMGLSA-N 1 3 344.459 0.634 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419027322 438296463 /nfs/dbraw/zinc/29/64/63/438296463.db2.gz OPCUAGRHYLJWNQ-JTOWHCCKSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCCN(C)Cc2ccccc2)CC[NH2+]1 ZINC000419009010 438282953 /nfs/dbraw/zinc/28/29/53/438282953.db2.gz WQXVWMKTHKFDJY-DOTOQJQBSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419022772 438291528 /nfs/dbraw/zinc/29/15/28/438291528.db2.gz IPHFDAXPWRLITK-KFWWJZLASA-N 1 3 336.480 0.505 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC000419023776 438292591 /nfs/dbraw/zinc/29/25/91/438292591.db2.gz DUCZQLRAEXFGEW-CABCVRRESA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000376832011 438294252 /nfs/dbraw/zinc/29/42/52/438294252.db2.gz UFOSVPKSXLZMCB-HUUCEWRRSA-N 1 3 334.468 1.535 20 0 ECADHO CN(CCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CC1 ZINC000419103070 438321417 /nfs/dbraw/zinc/32/14/17/438321417.db2.gz LMOQPTQYUWSKCH-UHFFFAOYSA-N 1 3 348.491 0.467 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC2CC([NH+]3CCCCC3)C2)CC1=O ZINC000368452193 438331112 /nfs/dbraw/zinc/33/11/12/438331112.db2.gz ZTLWNYZIQMQELH-FHERZECASA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377999243 438334359 /nfs/dbraw/zinc/33/43/59/438334359.db2.gz LURLNLZJIYNRDQ-OAHLLOKOSA-N 1 3 334.464 0.380 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419129679 438337327 /nfs/dbraw/zinc/33/73/27/438337327.db2.gz BKFZLNAXYXSZGX-BZUAXINKSA-N 1 3 338.496 0.999 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419032525 438297542 /nfs/dbraw/zinc/29/75/42/438297542.db2.gz XBOHGACKDNHFLA-DGADGQDISA-N 1 3 338.496 0.583 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000419034008 438299990 /nfs/dbraw/zinc/29/99/90/438299990.db2.gz YXIHPXCJDCJZEE-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO CCN1CCN(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000368213382 438303187 /nfs/dbraw/zinc/30/31/87/438303187.db2.gz AHPWSLYVJSSUNF-KRWDZBQOSA-N 1 3 328.476 0.953 20 0 ECADHO CCN1CCN(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000368213382 438303190 /nfs/dbraw/zinc/30/31/90/438303190.db2.gz AHPWSLYVJSSUNF-KRWDZBQOSA-N 1 3 328.476 0.953 20 0 ECADHO CCN1CCN(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368213382 438303193 /nfs/dbraw/zinc/30/31/93/438303193.db2.gz AHPWSLYVJSSUNF-KRWDZBQOSA-N 1 3 328.476 0.953 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000351819742 438346961 /nfs/dbraw/zinc/34/69/61/438346961.db2.gz BGTPBTZCYLVNBQ-HUUCEWRRSA-N 1 3 335.514 0.604 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419173468 438349354 /nfs/dbraw/zinc/34/93/54/438349354.db2.gz VFQZANSRQYQTOG-DLBZAZTESA-N 1 3 346.475 0.737 20 0 ECADHO C[C@H]1C[C@@H](CCNC(=O)C(=O)NCCN)C[N@@H+]1Cc1ccccc1 ZINC000419483486 438360309 /nfs/dbraw/zinc/36/03/09/438360309.db2.gz ZZRKHNCXLIREFT-GOEBONIOSA-N 1 3 332.448 0.478 20 0 ECADHO C[C@H]1C[C@@H](CCNC(=O)C(=O)NCCN)C[N@H+]1Cc1ccccc1 ZINC000419483486 438360316 /nfs/dbraw/zinc/36/03/16/438360316.db2.gz ZZRKHNCXLIREFT-GOEBONIOSA-N 1 3 332.448 0.478 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419693721 438366737 /nfs/dbraw/zinc/36/67/37/438366737.db2.gz ILRARWYHDSJOKP-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419704747 438370572 /nfs/dbraw/zinc/37/05/72/438370572.db2.gz YMSMYKNKDZJITJ-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038615 438383853 /nfs/dbraw/zinc/38/38/53/438383853.db2.gz NCWSOXHAJREGGV-MELADBBJSA-N 1 3 340.468 0.157 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038615 438383856 /nfs/dbraw/zinc/38/38/56/438383856.db2.gz NCWSOXHAJREGGV-MELADBBJSA-N 1 3 340.468 0.157 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420070697 438386567 /nfs/dbraw/zinc/38/65/67/438386567.db2.gz WZIFMNBKDRNBML-CQSZACIVSA-N 1 3 338.477 0.492 20 0 ECADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)CN1CCN(C)CC1 ZINC000420806705 438441916 /nfs/dbraw/zinc/44/19/16/438441916.db2.gz PYSHXMVQTSEGNI-CVEARBPZSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)CN1CCN(C)CC1 ZINC000420806705 438441921 /nfs/dbraw/zinc/44/19/21/438441921.db2.gz PYSHXMVQTSEGNI-CVEARBPZSA-N 1 3 325.501 0.606 20 0 ECADHO COC(=O)CC1(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000420327292 438399526 /nfs/dbraw/zinc/39/95/26/438399526.db2.gz YKTQFYSDVMWTHV-LSDHHAIUSA-N 1 3 337.464 0.910 20 0 ECADHO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328174 438400619 /nfs/dbraw/zinc/40/06/19/438400619.db2.gz DXTHLLXOOHTCHG-MXWKQRLJSA-N 1 3 336.358 0.694 20 0 ECADHO CN1CCN(CC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1(C)C ZINC000408013346 438486479 /nfs/dbraw/zinc/48/64/79/438486479.db2.gz SLQGBMQELIVWTO-LSDHHAIUSA-N 1 3 331.526 0.958 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000421727773 438497629 /nfs/dbraw/zinc/49/76/29/438497629.db2.gz ZXXXGERONKCQFY-BBRMVZONSA-N 1 3 342.509 0.093 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000422433012 438568849 /nfs/dbraw/zinc/56/88/49/438568849.db2.gz YBBUBPWKDYNCPC-KBMXLJTQSA-N 1 3 336.480 0.526 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000422433012 438568850 /nfs/dbraw/zinc/56/88/50/438568850.db2.gz YBBUBPWKDYNCPC-KBMXLJTQSA-N 1 3 336.480 0.526 20 0 ECADHO C[C@@H](CCCC[NH3+])NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000422987780 438624534 /nfs/dbraw/zinc/62/45/34/438624534.db2.gz JCJVCMLXPVREOI-AWEZNQCLSA-N 1 3 343.493 0.907 20 0 ECADHO COC[C@H](CCC[NH3+])NCCNS(=O)(=O)c1cc(C)sc1C ZINC000422991472 438626099 /nfs/dbraw/zinc/62/60/99/438626099.db2.gz BEDKYYFKOYJWGC-ZDUSSCGKSA-N 1 3 349.522 0.987 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000443058362 438639188 /nfs/dbraw/zinc/63/91/88/438639188.db2.gz KIAGGDXOZZSRBB-AWEZNQCLSA-N 1 3 349.431 0.971 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C[C@H]1C ZINC000410738258 438647868 /nfs/dbraw/zinc/64/78/68/438647868.db2.gz WDDUXZAIWJTUFO-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C[C@H]1C ZINC000410738258 438647871 /nfs/dbraw/zinc/64/78/71/438647871.db2.gz WDDUXZAIWJTUFO-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CC[C@@H]1[NH3+] ZINC000423222913 438649739 /nfs/dbraw/zinc/64/97/39/438649739.db2.gz DEUZTWXZYUNGIK-OAGGEKHMSA-N 1 3 336.480 0.659 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000423256998 438652795 /nfs/dbraw/zinc/65/27/95/438652795.db2.gz GZSGJXGZJXAHBL-KRWDZBQOSA-N 1 3 346.475 0.692 20 0 ECADHO CN(CCN)C(=O)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000423251105 438653230 /nfs/dbraw/zinc/65/32/30/438653230.db2.gz WBBNXQJBNDNERM-UHFFFAOYSA-N 1 3 346.475 0.774 20 0 ECADHO CN(CCN)C(=O)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000423251105 438653234 /nfs/dbraw/zinc/65/32/34/438653234.db2.gz WBBNXQJBNDNERM-UHFFFAOYSA-N 1 3 346.475 0.774 20 0 ECADHO OCCN1CCN(CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000493936522 438660298 /nfs/dbraw/zinc/66/02/98/438660298.db2.gz KYMVOFXYEMFECC-FGTMMUONSA-N 1 3 337.508 0.924 20 0 ECADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410947575 438668439 /nfs/dbraw/zinc/66/84/39/438668439.db2.gz RODYJTDVZGIDPV-XUWVNRHRSA-N 1 3 334.464 0.234 20 0 ECADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410947575 438668443 /nfs/dbraw/zinc/66/84/43/438668443.db2.gz RODYJTDVZGIDPV-XUWVNRHRSA-N 1 3 334.464 0.234 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)CCCC[NH3+])CC1=O ZINC000494666180 438702634 /nfs/dbraw/zinc/70/26/34/438702634.db2.gz KPDSWBMLAPILRD-ARFHVFGLSA-N 1 3 338.496 0.953 20 0 ECADHO COC(=O)CN(CCN1CCN(C)CC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414761538 438716464 /nfs/dbraw/zinc/71/64/64/438716464.db2.gz UBKBYWBRSAPKHH-HOTGVXAUSA-N 1 3 326.485 0.097 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415162272 438733411 /nfs/dbraw/zinc/73/34/11/438733411.db2.gz NRJCWHDUQVAVHP-UHFFFAOYSA-N 1 3 330.432 0.823 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCNC(=O)CC3)CC2)CC1 ZINC000553427600 438751535 /nfs/dbraw/zinc/75/15/35/438751535.db2.gz HKXSBZOMDKDYJR-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO CC1CCN(CCNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457680269 438820433 /nfs/dbraw/zinc/82/04/33/438820433.db2.gz BWOXQYVCGZKGGB-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO CC1CCN(CCNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000457680269 438820441 /nfs/dbraw/zinc/82/04/41/438820441.db2.gz BWOXQYVCGZKGGB-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000515016601 438843986 /nfs/dbraw/zinc/84/39/86/438843986.db2.gz MYIBUGCLOUPMBZ-OIISXLGYSA-N 1 3 348.491 0.672 20 0 ECADHO COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000515057342 438849409 /nfs/dbraw/zinc/84/94/09/438849409.db2.gz XSDKROQIPQSQCW-INIZCTEOSA-N 1 3 348.447 0.653 20 0 ECADHO CN(CCN1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000565035068 438905777 /nfs/dbraw/zinc/90/57/77/438905777.db2.gz QADRMQGHWFAXOD-HDICACEKSA-N 1 3 330.476 1.000 20 0 ECADHO COc1cnccc1N1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000515341993 438861812 /nfs/dbraw/zinc/86/18/12/438861812.db2.gz HVMCIAQDKSQTOK-CQSZACIVSA-N 1 3 333.436 0.921 20 0 ECADHO O[C@@H](CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CCOCC1 ZINC000515416071 438866143 /nfs/dbraw/zinc/86/61/43/438866143.db2.gz HLIGCRHJQGEOHZ-MOPGFXCFSA-N 1 3 349.475 0.036 20 0 ECADHO O[C@@H](CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CN1CCOCC1 ZINC000515416071 438866149 /nfs/dbraw/zinc/86/61/49/438866149.db2.gz HLIGCRHJQGEOHZ-MOPGFXCFSA-N 1 3 349.475 0.036 20 0 ECADHO CS[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1N(C)C ZINC000577862644 438877679 /nfs/dbraw/zinc/87/76/79/438877679.db2.gz FCJQISMENGADLN-KGLIPLIRSA-N 1 3 325.482 0.562 20 0 ECADHO COC(=O)CCN1CC[C@@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000595900621 438882618 /nfs/dbraw/zinc/88/26/18/438882618.db2.gz ILGWCLBFQQVEPO-JKSUJKDBSA-N 1 3 337.464 0.862 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000516985589 438943759 /nfs/dbraw/zinc/94/37/59/438943759.db2.gz OEWVJMZEBJKXHU-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC[C@H]1[NH3+] ZINC000578433751 438922153 /nfs/dbraw/zinc/92/21/53/438922153.db2.gz AAQGGADTDJHGBQ-GOEBONIOSA-N 1 3 336.480 0.659 20 0 ECADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1CC[NH2+]C1 ZINC000565250418 438938654 /nfs/dbraw/zinc/93/86/54/438938654.db2.gz NEDHPWWLQCQGBN-IRXDYDNUSA-N 1 3 332.448 0.939 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCCC3)C[C@@H]12 ZINC000578858130 438959214 /nfs/dbraw/zinc/95/92/14/438959214.db2.gz UHOYBLBPLCGXNJ-QKPAOTATSA-N 1 3 334.464 0.269 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000578909109 438964929 /nfs/dbraw/zinc/96/49/29/438964929.db2.gz HKMUHVCWWZKAIB-HYVNUMGLSA-N 1 3 348.495 0.977 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)N[C@H](C)C2=O)[C@H](C)C1 ZINC000459412735 438966757 /nfs/dbraw/zinc/96/67/57/438966757.db2.gz RPHHANNCBZTRGV-KFWWJZLASA-N 1 3 340.468 0.653 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)N[C@H](C)C2=O)[C@H](C)C1 ZINC000459412735 438966761 /nfs/dbraw/zinc/96/67/61/438966761.db2.gz RPHHANNCBZTRGV-KFWWJZLASA-N 1 3 340.468 0.653 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)CN(C)C)C1 ZINC000459535683 438972717 /nfs/dbraw/zinc/97/27/17/438972717.db2.gz KSRBFNPVQNCVNH-HNNXBMFYSA-N 1 3 328.501 0.389 20 0 ECADHO COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596583454 438976782 /nfs/dbraw/zinc/97/67/82/438976782.db2.gz OQNQSOLLBCSSPX-SOUVJXGZSA-N 1 3 342.484 0.899 20 0 ECADHO COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596583454 438976784 /nfs/dbraw/zinc/97/67/84/438976784.db2.gz OQNQSOLLBCSSPX-SOUVJXGZSA-N 1 3 342.484 0.899 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C(C)C ZINC000517970367 438983422 /nfs/dbraw/zinc/98/34/22/438983422.db2.gz YDALCSDTDXOBBY-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000565893365 438985811 /nfs/dbraw/zinc/98/58/11/438985811.db2.gz BWOYXMYASSGIIY-MGPQQGTHSA-N 1 3 337.468 0.107 20 0 ECADHO CCn1ccnc1CN(C(=O)[C@@H](CN)OC)[C@H]1CC12CC[NH2+]CC2 ZINC000579475240 439011855 /nfs/dbraw/zinc/01/18/55/439011855.db2.gz YLNWVHJFXRMDSJ-KGLIPLIRSA-N 1 3 335.452 0.347 20 0 ECADHO C[S@](=O)C1(C(=O)N2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000602480471 439096123 /nfs/dbraw/zinc/09/61/23/439096123.db2.gz XGMWOHGAZSWXHO-QHCPKHFHSA-N 1 3 336.461 0.231 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C[C@H]12 ZINC000580541163 439101578 /nfs/dbraw/zinc/10/15/78/439101578.db2.gz FTTYXACMJHRNGX-LVQVYYBASA-N 1 3 334.464 0.269 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN[C@H](C)[C@@H]2C)CC1 ZINC000566507681 439066410 /nfs/dbraw/zinc/06/64/10/439066410.db2.gz LFMVLOVJHFCULL-KGLIPLIRSA-N 1 3 339.484 0.369 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000566728538 439084025 /nfs/dbraw/zinc/08/40/25/439084025.db2.gz AGEIZTQDYOASDU-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CO[C@@H]1CN(CCCCC[NH+]2C[C@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488021116 439171982 /nfs/dbraw/zinc/17/19/82/439171982.db2.gz CRXZUZIBIGCWON-HMQPTBHHSA-N 1 3 330.469 0.848 20 0 ECADHO CO[C@@H]1C[NH+](CCCCCN2C[C@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488021116 439171989 /nfs/dbraw/zinc/17/19/89/439171989.db2.gz CRXZUZIBIGCWON-HMQPTBHHSA-N 1 3 330.469 0.848 20 0 ECADHO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000567385906 439138881 /nfs/dbraw/zinc/13/88/81/439138881.db2.gz WDQDJVKSOBTWLM-IAGOWNOFSA-N 1 3 336.432 0.675 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000580887102 439141693 /nfs/dbraw/zinc/14/16/93/439141693.db2.gz AGXYAJJSSCEZNP-RVKKMQEKSA-N 1 3 334.464 0.284 20 0 ECADHO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000581071823 439166313 /nfs/dbraw/zinc/16/63/13/439166313.db2.gz JJBOKQDXQUDXIR-DLBZAZTESA-N 1 3 336.432 0.675 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@@H](O)C3)CC2)CC1 ZINC000568229666 439227945 /nfs/dbraw/zinc/22/79/45/439227945.db2.gz BOXZAFCLPFRWGP-KRWDZBQOSA-N 1 3 339.480 0.402 20 0 ECADHO Cc1nn(C)c(C)c1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524905972 439198804 /nfs/dbraw/zinc/19/88/04/439198804.db2.gz MUTIGQKXSVILFD-UHFFFAOYSA-N 1 3 338.500 0.714 20 0 ECADHO CN1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](CN)C1 ZINC000568847608 439281456 /nfs/dbraw/zinc/28/14/56/439281456.db2.gz SDGIOQOCADOEMA-INIZCTEOSA-N 1 3 325.501 0.925 20 0 ECADHO CN1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](CN)C1 ZINC000568847608 439281462 /nfs/dbraw/zinc/28/14/62/439281462.db2.gz SDGIOQOCADOEMA-INIZCTEOSA-N 1 3 325.501 0.925 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1=O ZINC000581610410 439235080 /nfs/dbraw/zinc/23/50/80/439235080.db2.gz MWENZFIGNPWOQR-BZUAXINKSA-N 1 3 336.480 0.245 20 0 ECADHO COC(=O)CCN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C[C@H]1C ZINC000592566766 439255104 /nfs/dbraw/zinc/25/51/04/439255104.db2.gz XMCSMWLWJMKFQV-CHWSQXEVSA-N 1 3 349.435 0.196 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)C[C@H]21 ZINC000582295466 439313710 /nfs/dbraw/zinc/31/37/10/439313710.db2.gz PUUYDGKLICCQAM-QBPKDAKJSA-N 1 3 348.491 0.659 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCSC1 ZINC000582120458 439293957 /nfs/dbraw/zinc/29/39/57/439293957.db2.gz WSUBHMBYQXYKSY-IUODEOHRSA-N 1 3 338.481 0.197 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000570218753 439404304 /nfs/dbraw/zinc/40/43/04/439404304.db2.gz BHINZAMCFJXZFM-UHFFFAOYSA-N 1 3 342.484 0.507 20 0 ECADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000570271679 439405895 /nfs/dbraw/zinc/40/58/95/439405895.db2.gz QQLBCLFPLDXJNS-JKSUJKDBSA-N 1 3 336.480 0.661 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000570500983 439424638 /nfs/dbraw/zinc/42/46/38/439424638.db2.gz ADMYKIDMOBUVRY-DLBZAZTESA-N 1 3 331.464 0.464 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCN1CCOCC1(C)C ZINC000607241354 439445577 /nfs/dbraw/zinc/44/55/77/439445577.db2.gz MFPCAOKHCDRMMP-UHFFFAOYSA-N 1 3 343.516 0.232 20 0 ECADHO COCCN(C)C[C@H](O)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000571340992 439494443 /nfs/dbraw/zinc/49/44/43/439494443.db2.gz WGLWJUDAWICWAA-MWDXBVQZSA-N 1 3 329.485 0.109 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000583672352 439497858 /nfs/dbraw/zinc/49/78/58/439497858.db2.gz KKTIAIRXTOAVIS-UHFFFAOYSA-N 1 3 346.435 0.225 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000584008791 439539969 /nfs/dbraw/zinc/53/99/69/439539969.db2.gz IANFXOQYINUHLD-GOEBONIOSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000584008791 439539971 /nfs/dbraw/zinc/53/99/71/439539971.db2.gz IANFXOQYINUHLD-GOEBONIOSA-N 1 3 334.464 0.284 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000571984090 439548191 /nfs/dbraw/zinc/54/81/91/439548191.db2.gz HCTCABDCDAMDTC-ROUUACIJSA-N 1 3 345.491 0.854 20 0 ECADHO CN(C)C/C=C\C(=O)Nc1cc(CNC(=O)/C=C\C[NH+](C)C)ccn1 ZINC000492672483 439557797 /nfs/dbraw/zinc/55/77/97/439557797.db2.gz DEFBEVMBEDWLHD-SFECMWDFSA-N 1 3 345.447 0.872 20 0 ECADHO CN(C)C/C=C\C(=O)NCc1ccnc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000492672483 439557800 /nfs/dbraw/zinc/55/78/00/439557800.db2.gz DEFBEVMBEDWLHD-SFECMWDFSA-N 1 3 345.447 0.872 20 0 ECADHO CC(C)(C)OC(=O)[C@](C)(O)CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594612772 439581517 /nfs/dbraw/zinc/58/15/17/439581517.db2.gz QZFJSQBUQKJSTC-WMLDXEAASA-N 1 3 328.453 0.922 20 0 ECADHO O[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405421 439584338 /nfs/dbraw/zinc/58/43/38/439584338.db2.gz FYGMWVMCGIPZEY-UXHICEINSA-N 1 3 347.503 0.834 20 0 ECADHO O[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405421 439584342 /nfs/dbraw/zinc/58/43/42/439584342.db2.gz FYGMWVMCGIPZEY-UXHICEINSA-N 1 3 347.503 0.834 20 0 ECADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405421 439584345 /nfs/dbraw/zinc/58/43/45/439584345.db2.gz FYGMWVMCGIPZEY-UXHICEINSA-N 1 3 347.503 0.834 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2)C1 ZINC000572510639 439589492 /nfs/dbraw/zinc/58/94/92/439589492.db2.gz DTERPTMYVSBOMT-ROUUACIJSA-N 1 3 334.464 0.143 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2)C1 ZINC000572510638 439589571 /nfs/dbraw/zinc/58/95/71/439589571.db2.gz DTERPTMYVSBOMT-QZTJIDSGSA-N 1 3 334.464 0.143 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)C[C@@H]21 ZINC000584517528 439597170 /nfs/dbraw/zinc/59/71/70/439597170.db2.gz QFMIIYVTERGUCS-DOMZBBRYSA-N 1 3 346.406 0.572 20 0 ECADHO CCN1CCN(Cc2ccccc2C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000584524670 439597771 /nfs/dbraw/zinc/59/77/71/439597771.db2.gz BKSDWBWEADUEIK-UHFFFAOYSA-N 1 3 347.463 0.499 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000584666786 439607425 /nfs/dbraw/zinc/60/74/25/439607425.db2.gz USTPNDBCWPBTOT-HZPDHXFCSA-N 1 3 349.479 0.347 20 0 ECADHO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCN3Cc3ccccc3)CCN2C1=O ZINC000594881769 439639551 /nfs/dbraw/zinc/63/95/51/439639551.db2.gz JOYRAKOCYKIASP-GVDBMIGSSA-N 1 3 342.443 0.421 20 0 ECADHO O=C(COC1CNC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000573682504 439660449 /nfs/dbraw/zinc/66/04/49/439660449.db2.gz BTSVNMVIOJSBEW-UHFFFAOYSA-N 1 3 347.463 0.571 20 0 ECADHO C[C@@H]1CC[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000573000367 439623686 /nfs/dbraw/zinc/62/36/86/439623686.db2.gz URRCFPHOVQQDPY-HUUCEWRRSA-N 1 3 326.485 0.491 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000611641340 439715817 /nfs/dbraw/zinc/71/58/17/439715817.db2.gz QYOOINADWWUMAH-DZKIICNBSA-N 1 3 336.480 0.671 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000611641340 439715820 /nfs/dbraw/zinc/71/58/20/439715820.db2.gz QYOOINADWWUMAH-DZKIICNBSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H]([NH3+])CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923112 439745765 /nfs/dbraw/zinc/74/57/65/439745765.db2.gz NGJKQAUNUBIEFZ-STQMWFEESA-N 1 3 335.456 0.056 20 0 ECADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000614847434 439788579 /nfs/dbraw/zinc/78/85/79/439788579.db2.gz LJKDCPJEKOCUSH-IJLUTSLNSA-N 1 3 339.402 0.934 20 0 ECADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000614847434 439788580 /nfs/dbraw/zinc/78/85/80/439788580.db2.gz LJKDCPJEKOCUSH-IJLUTSLNSA-N 1 3 339.402 0.934 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC3(C2)CC[NH+](C)CC3)CC1=O ZINC000614963307 439791203 /nfs/dbraw/zinc/79/12/03/439791203.db2.gz FCGRWXGTZGLEDS-HNNXBMFYSA-N 1 3 336.480 0.341 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662759428 439876644 /nfs/dbraw/zinc/87/66/44/439876644.db2.gz WGURUOFAXLTBDV-CQSZACIVSA-N 1 3 349.479 0.897 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000652433028 439846633 /nfs/dbraw/zinc/84/66/33/439846633.db2.gz NBOGPSUOGOZPKE-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000652433028 439846637 /nfs/dbraw/zinc/84/66/37/439846637.db2.gz NBOGPSUOGOZPKE-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000662683978 439846833 /nfs/dbraw/zinc/84/68/33/439846833.db2.gz UZAMSHQOGQAHET-IRXDYDNUSA-N 1 3 333.432 0.946 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662706700 439851176 /nfs/dbraw/zinc/85/11/76/439851176.db2.gz BHGSYHQGHBBCLL-GXTWGEPZSA-N 1 3 333.436 0.470 20 0 ECADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000662716696 439857646 /nfs/dbraw/zinc/85/76/46/439857646.db2.gz VISZLTLVDLVWLI-ZWKOTPCHSA-N 1 3 347.459 0.623 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626805752 439888849 /nfs/dbraw/zinc/88/88/49/439888849.db2.gz SSNNYAYNFLIOLA-ZDUSSCGKSA-N 1 3 348.447 0.954 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626805752 439888852 /nfs/dbraw/zinc/88/88/52/439888852.db2.gz SSNNYAYNFLIOLA-ZDUSSCGKSA-N 1 3 348.447 0.954 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCN(C2CC2)C1=O ZINC000617503776 439900622 /nfs/dbraw/zinc/90/06/22/439900622.db2.gz YUQSHNOMOINZMH-AWEZNQCLSA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCN(C2CC2)C1=O ZINC000617503776 439900628 /nfs/dbraw/zinc/90/06/28/439900628.db2.gz YUQSHNOMOINZMH-AWEZNQCLSA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cncc(-n2ccnn2)c1 ZINC000617508258 439903175 /nfs/dbraw/zinc/90/31/75/439903175.db2.gz ZYUBXVBCQHIVMA-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cncc(-n2ccnn2)c1 ZINC000617508258 439903180 /nfs/dbraw/zinc/90/31/80/439903180.db2.gz ZYUBXVBCQHIVMA-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000652667135 439906739 /nfs/dbraw/zinc/90/67/39/439906739.db2.gz FIKDLLFZFJWCCO-UHFFFAOYSA-N 1 3 332.448 0.623 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000626852599 439914338 /nfs/dbraw/zinc/91/43/38/439914338.db2.gz MWNDINFVSUGSOG-UHFFFAOYSA-N 1 3 340.399 0.512 20 0 ECADHO CCN(CCN)C(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000626853692 439914717 /nfs/dbraw/zinc/91/47/17/439914717.db2.gz MTCFCECKOVSEIA-UHFFFAOYSA-N 1 3 336.440 0.286 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C)C(C)(C)C3)C2)CC1 ZINC000641797126 439917449 /nfs/dbraw/zinc/91/74/49/439917449.db2.gz VCZMLURFWJMDRP-HNNXBMFYSA-N 1 3 337.512 0.891 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C)C(C)(C)C3)C2)CC1 ZINC000641797126 439917458 /nfs/dbraw/zinc/91/74/58/439917458.db2.gz VCZMLURFWJMDRP-HNNXBMFYSA-N 1 3 337.512 0.891 20 0 ECADHO CN1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1(C)C ZINC000641797126 439917463 /nfs/dbraw/zinc/91/74/63/439917463.db2.gz VCZMLURFWJMDRP-HNNXBMFYSA-N 1 3 337.512 0.891 20 0 ECADHO COC[C@]1(CNC(=O)N2CCN(c3ccncc3)CC2)CCC[NH2+]1 ZINC000641819258 439922556 /nfs/dbraw/zinc/92/25/56/439922556.db2.gz OBEXQMIDXLIVEE-QGZVFWFLSA-N 1 3 333.436 0.682 20 0 ECADHO CCCN1CCC(N(C)S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631915094 439976624 /nfs/dbraw/zinc/97/66/24/439976624.db2.gz DNHLOTQOZACOMK-UHFFFAOYSA-N 1 3 332.514 0.721 20 0 ECADHO CN(C)C1(CNC(=O)N(C)CCOCC[NH3+])Cc2ccccc2C1 ZINC000626984774 439979572 /nfs/dbraw/zinc/97/95/72/439979572.db2.gz KQVYSIPGLZCQGL-UHFFFAOYSA-N 1 3 334.464 0.702 20 0 ECADHO CN(C)C1(CNC(=O)NCCOCCC[NH3+])Cc2ccccc2C1 ZINC000626985585 439981059 /nfs/dbraw/zinc/98/10/59/439981059.db2.gz XFCVSJYJUIIWAO-UHFFFAOYSA-N 1 3 334.464 0.750 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000626984980 439981350 /nfs/dbraw/zinc/98/13/50/439981350.db2.gz NXDWSDDPAZAKDY-UHFFFAOYSA-N 1 3 348.491 0.963 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H](CC)CN1CCCC1)C1CC[NH2+]CC1 ZINC000642439322 439981804 /nfs/dbraw/zinc/98/18/04/439981804.db2.gz BQMDXVLRHDWLMN-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000641988310 439937136 /nfs/dbraw/zinc/93/71/36/439937136.db2.gz WGNCKYXYMNDITJ-IAGOWNOFSA-N 1 3 337.512 0.940 20 0 ECADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000642009061 439940350 /nfs/dbraw/zinc/94/03/50/439940350.db2.gz NMJYOEUDFYESDQ-CABCVRRESA-N 1 3 337.468 0.063 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000652720097 439940878 /nfs/dbraw/zinc/94/08/78/439940878.db2.gz WCLCPUPEKCLPRL-WMLDXEAASA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CCN(C)C)C[NH2+]1 ZINC000626891873 439942737 /nfs/dbraw/zinc/94/27/37/439942737.db2.gz COBNHBDMAWWOLD-UKRRQHHQSA-N 1 3 332.448 0.986 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000652720095 439942843 /nfs/dbraw/zinc/94/28/43/439942843.db2.gz WCLCPUPEKCLPRL-PBHICJAKSA-N 1 3 346.475 0.963 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642104430 439948840 /nfs/dbraw/zinc/94/88/40/439948840.db2.gz MSCGDCYSFWDQGG-IAGOWNOFSA-N 1 3 346.475 0.534 20 0 ECADHO CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000626900428 439949898 /nfs/dbraw/zinc/94/98/98/439949898.db2.gz PSXBVDIBBJODCH-JKSUJKDBSA-N 1 3 346.431 0.496 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000652735766 439953636 /nfs/dbraw/zinc/95/36/36/439953636.db2.gz SUTNTXZFNMMOLL-UHFFFAOYSA-N 1 3 332.448 0.594 20 0 ECADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015119 439990170 /nfs/dbraw/zinc/99/01/70/439990170.db2.gz QRUWLHPCEDHDSQ-CZUORRHYSA-N 1 3 334.468 0.509 20 0 ECADHO COCCNCCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627083411 440004465 /nfs/dbraw/zinc/00/44/65/440004465.db2.gz SWXBWMREFKXFAB-HNNXBMFYSA-N 1 3 328.457 0.023 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000658569302 440011769 /nfs/dbraw/zinc/01/17/69/440011769.db2.gz DRXPQJAKRYKLTH-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN(CCOC)CC2(C)C)CC1 ZINC000652926135 440015263 /nfs/dbraw/zinc/01/52/63/440015263.db2.gz MJZIXNCQCRYBOS-UHFFFAOYSA-N 1 3 340.512 0.583 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000647201797 440020536 /nfs/dbraw/zinc/02/05/36/440020536.db2.gz AIQLTHQSRIGRBD-CQSZACIVSA-N 1 3 343.497 0.482 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000642780504 440032261 /nfs/dbraw/zinc/03/22/61/440032261.db2.gz LKHIKUSLDSOQPL-IRXDYDNUSA-N 1 3 344.459 0.575 20 0 ECADHO [NH3+]C1(CC(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC1 ZINC000663014939 439988442 /nfs/dbraw/zinc/98/84/42/439988442.db2.gz JAIFRZSZDZHJCP-AWEZNQCLSA-N 1 3 346.479 0.797 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000642911772 440060940 /nfs/dbraw/zinc/06/09/40/440060940.db2.gz YOFWHXVKYNJVND-BZUAXINKSA-N 1 3 336.480 0.849 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC[NH2+]C2CC2)c1 ZINC000642918118 440061780 /nfs/dbraw/zinc/06/17/80/440061780.db2.gz NXIOJNWWWHAMJH-UHFFFAOYSA-N 1 3 346.475 0.753 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000642912492 440063321 /nfs/dbraw/zinc/06/33/21/440063321.db2.gz QHKCZUIILKDTEG-HUUCEWRRSA-N 1 3 336.480 0.849 20 0 ECADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@@H](CO)CN1CCCCC1 ZINC000647535785 440066112 /nfs/dbraw/zinc/06/61/12/440066112.db2.gz MYVZXAMLPHRQNN-MOPGFXCFSA-N 1 3 335.492 0.916 20 0 ECADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN[C@@H](CO)CN1CCCCC1 ZINC000647535785 440066119 /nfs/dbraw/zinc/06/61/19/440066119.db2.gz MYVZXAMLPHRQNN-MOPGFXCFSA-N 1 3 335.492 0.916 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H](C)O1 ZINC000653111086 440066591 /nfs/dbraw/zinc/06/65/91/440066591.db2.gz CQJKUBHPXZMQIL-IVSAIRAKSA-N 1 3 325.453 0.228 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642953197 440071264 /nfs/dbraw/zinc/07/12/64/440071264.db2.gz CFEIIQXZGROMQA-GDBMZVCRSA-N 1 3 332.448 0.573 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000642968794 440074428 /nfs/dbraw/zinc/07/44/28/440074428.db2.gz YFZGTILFFGMXNN-HNNXBMFYSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000642989720 440079166 /nfs/dbraw/zinc/07/91/66/440079166.db2.gz QRQRTZSGTKCBFV-HRCADAONSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000632129040 440089681 /nfs/dbraw/zinc/08/96/81/440089681.db2.gz CRHHWLHLNBQZOK-SOUVJXGZSA-N 1 3 333.498 0.451 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[NH2+]1 ZINC000627195911 440039599 /nfs/dbraw/zinc/03/95/99/440039599.db2.gz FXHQWWWREYMZGF-LSDHHAIUSA-N 1 3 337.468 0.077 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000642809740 440047235 /nfs/dbraw/zinc/04/72/35/440047235.db2.gz CTCWZFJDRZSNRN-YJNKXOJESA-N 1 3 336.480 0.419 20 0 ECADHO [NH3+]C1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000642907306 440057728 /nfs/dbraw/zinc/05/77/28/440057728.db2.gz VOHJSICFHRSIHG-UYSNPLJNSA-N 1 3 336.480 0.849 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000642908485 440057816 /nfs/dbraw/zinc/05/78/16/440057816.db2.gz UOYLWODTIYNAHN-NSHDSACASA-N 1 3 342.390 0.318 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000627292125 440101139 /nfs/dbraw/zinc/10/11/39/440101139.db2.gz MAGBTZNOXLFGGY-YESZJQIVSA-N 1 3 346.475 0.532 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000643478846 440180311 /nfs/dbraw/zinc/18/03/11/440180311.db2.gz LSEPJBSETHYRGT-HUUCEWRRSA-N 1 3 345.447 0.174 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC[C@@H]1[NH3+] ZINC000643494642 440186445 /nfs/dbraw/zinc/18/64/45/440186445.db2.gz SDTAYOBLDMIZGS-OAGGEKHMSA-N 1 3 336.480 0.659 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627372167 440160641 /nfs/dbraw/zinc/16/06/41/440160641.db2.gz FBVCEAJNSDPPLM-JCGIZDLHSA-N 1 3 336.480 0.435 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC000643591601 440215447 /nfs/dbraw/zinc/21/54/47/440215447.db2.gz SBCKMLHTMPVYNO-VKJFTORMSA-N 1 3 334.464 0.284 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000643593616 440217355 /nfs/dbraw/zinc/21/73/55/440217355.db2.gz AIHKUJDHNMIERO-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO CO[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@](C)(CO)C1 ZINC000637265495 440220474 /nfs/dbraw/zinc/22/04/74/440220474.db2.gz QWTKKKLNYNJAAE-ZMSDIMECSA-N 1 3 344.500 0.440 20 0 ECADHO CO[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@](C)(CO)C1 ZINC000637265495 440220478 /nfs/dbraw/zinc/22/04/78/440220478.db2.gz QWTKKKLNYNJAAE-ZMSDIMECSA-N 1 3 344.500 0.440 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+](C)C ZINC000659076610 440228608 /nfs/dbraw/zinc/22/86/08/440228608.db2.gz ANNQFTNNSZZEEG-IUODEOHRSA-N 1 3 334.420 0.352 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627482582 440233520 /nfs/dbraw/zinc/23/35/20/440233520.db2.gz RTVUUSDNSZDSNE-HUUCEWRRSA-N 1 3 342.484 0.060 20 0 ECADHO O=C(NCC[NH2+]C1CC1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000637307635 440234409 /nfs/dbraw/zinc/23/44/09/440234409.db2.gz SAKHRQWNJSZGHW-WMZOPIPTSA-N 1 3 346.475 0.921 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CCC[C@@H](C)C1 ZINC000627440231 440207146 /nfs/dbraw/zinc/20/71/46/440207146.db2.gz GJRCFEGHQUNRDM-QLFBSQMISA-N 1 3 336.480 0.624 20 0 ECADHO CN1CC[C@@H]2CN(c3cnc(N4C[C@@H]5CC[N@H+](C)[C@@H]5C4)cn3)C[C@@H]21 ZINC000663973480 440207211 /nfs/dbraw/zinc/20/72/11/440207211.db2.gz OCLVMQYPJBHPSV-SYMSYNOKSA-N 1 3 328.464 0.757 20 0 ECADHO CN1CC[C@@H]2CN(c3cnc(N4C[C@@H]5CC[N@@H+](C)[C@@H]5C4)cn3)C[C@@H]21 ZINC000663973480 440207214 /nfs/dbraw/zinc/20/72/14/440207214.db2.gz OCLVMQYPJBHPSV-SYMSYNOKSA-N 1 3 328.464 0.757 20 0 ECADHO CN1CC[C@H]2CN(c3cnc(N4C[C@H]5CC[N@H+](C)[C@H]5C4)cn3)C[C@H]21 ZINC000663973480 440207218 /nfs/dbraw/zinc/20/72/18/440207218.db2.gz OCLVMQYPJBHPSV-SYMSYNOKSA-N 1 3 328.464 0.757 20 0 ECADHO CN1CC[C@H]2CN(c3cnc(N4C[C@H]5CC[N@@H+](C)[C@H]5C4)cn3)C[C@H]21 ZINC000663973480 440207225 /nfs/dbraw/zinc/20/72/25/440207225.db2.gz OCLVMQYPJBHPSV-SYMSYNOKSA-N 1 3 328.464 0.757 20 0 ECADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC000648178545 440254886 /nfs/dbraw/zinc/25/48/86/440254886.db2.gz RYBVPNLWQKQUOB-GOEBONIOSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCC(C(N)=O)CC1 ZINC000664297243 440282614 /nfs/dbraw/zinc/28/26/14/440282614.db2.gz ZGKZCJDNEKMRAP-NFOMZHRRSA-N 1 3 341.500 0.602 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCC(C(N)=O)CC1 ZINC000664297243 440282621 /nfs/dbraw/zinc/28/26/21/440282621.db2.gz ZGKZCJDNEKMRAP-NFOMZHRRSA-N 1 3 341.500 0.602 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(N)=O)o1 ZINC000664302779 440283317 /nfs/dbraw/zinc/28/33/17/440283317.db2.gz HGMIXJFBSDPWQO-LBPRGKRZSA-N 1 3 339.440 0.450 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(N)=O)o1 ZINC000664302779 440283323 /nfs/dbraw/zinc/28/33/23/440283323.db2.gz HGMIXJFBSDPWQO-LBPRGKRZSA-N 1 3 339.440 0.450 20 0 ECADHO [NH3+]CCCn1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)nn1 ZINC000659369610 440305715 /nfs/dbraw/zinc/30/57/15/440305715.db2.gz RZAHRAICGIUMSP-HNNXBMFYSA-N 1 3 330.392 0.540 20 0 ECADHO CN1CC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000654509784 440338291 /nfs/dbraw/zinc/33/82/91/440338291.db2.gz NFBOETGMIVMVNL-BSDSXHPESA-N 1 3 344.459 0.892 20 0 ECADHO CN1CC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000654509784 440338299 /nfs/dbraw/zinc/33/82/99/440338299.db2.gz NFBOETGMIVMVNL-BSDSXHPESA-N 1 3 344.459 0.892 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3CCC[C@@H]([NH3+])C3)ccc2[nH]c1=O ZINC000637796863 440339189 /nfs/dbraw/zinc/33/91/89/440339189.db2.gz AOIBPAODRVVVST-CYBMUJFWSA-N 1 3 331.420 0.867 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659484538 440341611 /nfs/dbraw/zinc/34/16/11/440341611.db2.gz OJYMOTANYLREQI-INIZCTEOSA-N 1 3 326.485 0.986 20 0 ECADHO C[C@@H](NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1=CCN(C)CC1 ZINC000664630530 440345047 /nfs/dbraw/zinc/34/50/47/440345047.db2.gz SLICLXFPFJQYMR-RHSMWYFYSA-N 1 3 336.480 0.877 20 0 ECADHO C[C@@H](NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1=CCN(C)CC1 ZINC000664630530 440345055 /nfs/dbraw/zinc/34/50/55/440345055.db2.gz SLICLXFPFJQYMR-RHSMWYFYSA-N 1 3 336.480 0.877 20 0 ECADHO COC[C@]1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000659543430 440358952 /nfs/dbraw/zinc/35/89/52/440358952.db2.gz VWVLRUBLLCTHQB-DOTOQJQBSA-N 1 3 340.468 0.308 20 0 ECADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCCN3CC[C@@H](O)C3)C2)cc1 ZINC000637716586 440328085 /nfs/dbraw/zinc/32/80/85/440328085.db2.gz JTLGDTCSHQCPFB-ZWKOTPCHSA-N 1 3 346.475 0.935 20 0 ECADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCCN3CC[C@@H](O)C3)C2)cc1 ZINC000637716586 440328090 /nfs/dbraw/zinc/32/80/90/440328090.db2.gz JTLGDTCSHQCPFB-ZWKOTPCHSA-N 1 3 346.475 0.935 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659448156 440329771 /nfs/dbraw/zinc/32/97/71/440329771.db2.gz MMEXXXPQBQFHSF-MGPQQGTHSA-N 1 3 343.447 0.010 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000637753322 440331418 /nfs/dbraw/zinc/33/14/18/440331418.db2.gz QRWNQDKCPQQUPS-SJORKVTESA-N 1 3 337.512 0.798 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000633037416 440416848 /nfs/dbraw/zinc/41/68/48/440416848.db2.gz PFBHEADPUOJCCZ-OLZOCXBDSA-N 1 3 334.420 0.514 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)CC1 ZINC000659690125 440425560 /nfs/dbraw/zinc/42/55/60/440425560.db2.gz FJOMMGXLGGBHPS-ZBFHGGJFSA-N 1 3 338.496 0.953 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000659628930 440380663 /nfs/dbraw/zinc/38/06/63/440380663.db2.gz NASRVTXKJILAQC-CYBMUJFWSA-N 1 3 348.451 0.562 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659674639 440409149 /nfs/dbraw/zinc/40/91/49/440409149.db2.gz NRYFHWBJKNLYEB-HNNXBMFYSA-N 1 3 334.464 0.471 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633031571 440414120 /nfs/dbraw/zinc/41/41/20/440414120.db2.gz OIGWVBVWUYEJJC-GASCZTMLSA-N 1 3 330.432 0.692 20 0 ECADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CNCCC1(F)F ZINC000649322957 440462672 /nfs/dbraw/zinc/46/26/72/440462672.db2.gz YLWQYGADGSYZFM-CYBMUJFWSA-N 1 3 331.407 0.992 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000644194620 440467363 /nfs/dbraw/zinc/46/73/63/440467363.db2.gz LUNJNFIYPSXCLG-OAHLLOKOSA-N 1 3 330.432 0.993 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000644194619 440468595 /nfs/dbraw/zinc/46/85/95/440468595.db2.gz LUNJNFIYPSXCLG-HNNXBMFYSA-N 1 3 330.432 0.993 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000638167032 440469235 /nfs/dbraw/zinc/46/92/35/440469235.db2.gz YHBBBSWMIWUBBM-JYJNAYRXSA-N 1 3 327.469 0.557 20 0 ECADHO C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C1CC[NH+](C)CC1 ZINC000644197691 440469733 /nfs/dbraw/zinc/46/97/33/440469733.db2.gz SVDFWCUTICVMAQ-VBNZEHGJSA-N 1 3 334.468 0.587 20 0 ECADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CNCCC1(F)F ZINC000649336640 440472145 /nfs/dbraw/zinc/47/21/45/440472145.db2.gz KMTNDRSHIJRNFN-JSGCOSHPSA-N 1 3 331.407 0.848 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CC[C@@H]1[NH3+] ZINC000659738109 440475978 /nfs/dbraw/zinc/47/59/78/440475978.db2.gz ZYKOCCHEINTGCD-YCPHGPKFSA-N 1 3 336.480 0.705 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000659741354 440478150 /nfs/dbraw/zinc/47/81/50/440478150.db2.gz KAVOBWQQKRDDFW-OWCLPIDISA-N 1 3 338.496 0.950 20 0 ECADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000638226318 440480507 /nfs/dbraw/zinc/48/05/07/440480507.db2.gz OFQGQKFYAZWOEJ-GJZGRUSLSA-N 1 3 337.468 0.063 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C(N)=O)[nH]n3)CC2)CC1 ZINC000654924023 440436550 /nfs/dbraw/zinc/43/65/50/440436550.db2.gz AZHMUKVURAYQQQ-UHFFFAOYSA-N 1 3 348.451 0.643 20 0 ECADHO CCN1C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000665230312 440439907 /nfs/dbraw/zinc/43/99/07/440439907.db2.gz MKZNIJBXYHRATD-LSDHHAIUSA-N 1 3 341.500 0.426 20 0 ECADHO CCN1C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000665230312 440439914 /nfs/dbraw/zinc/43/99/14/440439914.db2.gz MKZNIJBXYHRATD-LSDHHAIUSA-N 1 3 341.500 0.426 20 0 ECADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659708157 440442577 /nfs/dbraw/zinc/44/25/77/440442577.db2.gz MYBFXCWXAHBABH-UPJWGTAASA-N 1 3 328.432 0.121 20 0 ECADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659708157 440442582 /nfs/dbraw/zinc/44/25/82/440442582.db2.gz MYBFXCWXAHBABH-UPJWGTAASA-N 1 3 328.432 0.121 20 0 ECADHO COC1CC[NH+](C2(CNC(=O)[C@@H]3OCC[C@@H]3N)CCCC2)CC1 ZINC000638108129 440445214 /nfs/dbraw/zinc/44/52/14/440445214.db2.gz IXCGRWWLAJNSAR-LSDHHAIUSA-N 1 3 325.453 0.642 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000649312553 440458659 /nfs/dbraw/zinc/45/86/59/440458659.db2.gz YYQJDGCVHWRYMB-HOTGVXAUSA-N 1 3 338.496 0.382 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649318510 440459554 /nfs/dbraw/zinc/45/95/54/440459554.db2.gz RCAZZGGBLSPLJR-OLZOCXBDSA-N 1 3 346.422 0.290 20 0 ECADHO [NH3+]C[C@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000649409065 440494632 /nfs/dbraw/zinc/49/46/32/440494632.db2.gz DVXUXZDTQMRSBX-OAHLLOKOSA-N 1 3 332.452 0.186 20 0 ECADHO CC(=O)N1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665637722 440510869 /nfs/dbraw/zinc/51/08/69/440510869.db2.gz MPHTVNGRSBVLLI-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CC(=O)N1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665637722 440510874 /nfs/dbraw/zinc/51/08/74/440510874.db2.gz MPHTVNGRSBVLLI-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO COC[C@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000638341666 440518559 /nfs/dbraw/zinc/51/85/59/440518559.db2.gz OYUFGOPTNCSRQO-HOCLYGCPSA-N 1 3 336.440 0.059 20 0 ECADHO O=C(CN1CC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000638365318 440521227 /nfs/dbraw/zinc/52/12/27/440521227.db2.gz ACDUQIBUVXSILW-ZWKOTPCHSA-N 1 3 328.460 0.625 20 0 ECADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000638356476 440521251 /nfs/dbraw/zinc/52/12/51/440521251.db2.gz OOUCCLRBFZXZLP-PBHICJAKSA-N 1 3 347.463 0.699 20 0 ECADHO COC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H](C)O1 ZINC000665761763 440525409 /nfs/dbraw/zinc/52/54/09/440525409.db2.gz PFKSAHKHELBBPW-XHSDSOJGSA-N 1 3 344.500 0.704 20 0 ECADHO COC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H](C)O1 ZINC000665761763 440525414 /nfs/dbraw/zinc/52/54/14/440525414.db2.gz PFKSAHKHELBBPW-XHSDSOJGSA-N 1 3 344.500 0.704 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000665761065 440525623 /nfs/dbraw/zinc/52/56/23/440525623.db2.gz WABUNKDDOGFMFQ-ULQDDVLXSA-N 1 3 339.528 0.994 20 0 ECADHO CC(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](C)C1 ZINC000665760877 440526851 /nfs/dbraw/zinc/52/68/51/440526851.db2.gz QXGUYNWNYSBUBX-LSDHHAIUSA-N 1 3 341.500 0.521 20 0 ECADHO CC(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H](C)C1 ZINC000665760877 440526859 /nfs/dbraw/zinc/52/68/59/440526859.db2.gz QXGUYNWNYSBUBX-LSDHHAIUSA-N 1 3 341.500 0.521 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447037 440564810 /nfs/dbraw/zinc/56/48/10/440564810.db2.gz JFXWYEFSKZQSLH-RVKKMQEKSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)CN1CCN(C)CC1 ZINC000638551386 440567749 /nfs/dbraw/zinc/56/77/49/440567749.db2.gz KMCGVRHUYKAOLC-INIZCTEOSA-N 1 3 326.529 0.695 20 0 ECADHO O=C(CCC1C[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638438816 440541473 /nfs/dbraw/zinc/54/14/73/440541473.db2.gz DCWWUZBGYLBSDW-HNNXBMFYSA-N 1 3 346.479 0.525 20 0 ECADHO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@]2(C)CNCCO2)CC1 ZINC000638730416 440608112 /nfs/dbraw/zinc/60/81/12/440608112.db2.gz ZBCZMOMGNWSEEB-INIZCTEOSA-N 1 3 325.453 0.468 20 0 ECADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000660152607 440611760 /nfs/dbraw/zinc/61/17/60/440611760.db2.gz AVWONERQLAOJOH-SQNIBIBYSA-N 1 3 326.529 0.645 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000660152607 440611765 /nfs/dbraw/zinc/61/17/65/440611765.db2.gz AVWONERQLAOJOH-SQNIBIBYSA-N 1 3 326.529 0.645 20 0 ECADHO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1CNCCC1(F)F ZINC000638984589 440660346 /nfs/dbraw/zinc/66/03/46/440660346.db2.gz OAVKWYJFLYNUTI-LBPRGKRZSA-N 1 3 325.363 0.675 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000638983140 440660361 /nfs/dbraw/zinc/66/03/61/440660361.db2.gz AGKJQPICNWXPFM-OAHLLOKOSA-N 1 3 329.485 0.866 20 0 ECADHO [NH3+]CCc1nc(C(=O)Nc2cc(N3CCNCC3)ccn2)cs1 ZINC000638984610 440660583 /nfs/dbraw/zinc/66/05/83/440660583.db2.gz PECUYBBLYOSGOT-UHFFFAOYSA-N 1 3 332.433 0.701 20 0 ECADHO CN1CCN(C[C@H](O)CNc2ccc3c(c2)N(C)CC[N@@H+](C)C3)CC1 ZINC000644696821 440671727 /nfs/dbraw/zinc/67/17/27/440671727.db2.gz HXWFYDDNNUYHRV-GOSISDBHSA-N 1 3 347.507 0.588 20 0 ECADHO CN1CCN(C[C@H](O)CNc2ccc3c(c2)N(C)CC[N@H+](C)C3)CC1 ZINC000644696821 440671732 /nfs/dbraw/zinc/67/17/32/440671732.db2.gz HXWFYDDNNUYHRV-GOSISDBHSA-N 1 3 347.507 0.588 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000650815499 440687794 /nfs/dbraw/zinc/68/77/94/440687794.db2.gz TTWJNSGEPJYKEI-UHFFFAOYSA-N 1 3 339.484 0.134 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916266 440640532 /nfs/dbraw/zinc/64/05/32/440640532.db2.gz UNEAKDMHZWMKQA-NSHDSACASA-N 1 3 325.379 0.203 20 0 ECADHO O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000666770570 440688066 /nfs/dbraw/zinc/68/80/66/440688066.db2.gz KAIAGEROUJLWGL-HNNXBMFYSA-N 1 3 342.443 0.871 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656066905 440704603 /nfs/dbraw/zinc/70/46/03/440704603.db2.gz OPLPPQUJYRCJSE-FMKPAKJESA-N 1 3 338.496 0.632 20 0 ECADHO CCCN1CC[C@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000666926583 440708946 /nfs/dbraw/zinc/70/89/46/440708946.db2.gz UCJVDCUIDUEIMV-HNNXBMFYSA-N 1 3 326.485 0.959 20 0 ECADHO CCCN1CC[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000666926583 440708950 /nfs/dbraw/zinc/70/89/50/440708950.db2.gz UCJVDCUIDUEIMV-HNNXBMFYSA-N 1 3 326.485 0.959 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656299395 440755786 /nfs/dbraw/zinc/75/57/86/440755786.db2.gz RPTICNCEDHQJIG-WCXIOVBPSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656299395 440755792 /nfs/dbraw/zinc/75/57/92/440755792.db2.gz RPTICNCEDHQJIG-WCXIOVBPSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@@H](NCCOCCC[NH3+])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000629535781 440719794 /nfs/dbraw/zinc/71/97/94/440719794.db2.gz FFBBXMHPWOUERZ-CYBMUJFWSA-N 1 3 329.466 0.953 20 0 ECADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCNC(=O)CC2)c1 ZINC000634959196 440728178 /nfs/dbraw/zinc/72/81/78/440728178.db2.gz KDUKCELEFCXGKA-MRXNPFEDSA-N 1 3 332.448 0.736 20 0 ECADHO O[C@@H](C[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)CN1CCCC1 ZINC000629560588 440728268 /nfs/dbraw/zinc/72/82/68/440728268.db2.gz FXIDABIBUNKSMI-PMACEKPBSA-N 1 3 347.503 0.976 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC[C@H](O)C[NH+]2CCCC2)c1 ZINC000629561091 440728378 /nfs/dbraw/zinc/72/83/78/440728378.db2.gz ZTPGYCHGBDHRCJ-SFHVURJKSA-N 1 3 348.491 0.524 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000629794292 440763247 /nfs/dbraw/zinc/76/32/47/440763247.db2.gz RASPXFVEJSVFCU-UHFFFAOYSA-N 1 3 338.427 0.523 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000629792264 440763530 /nfs/dbraw/zinc/76/35/30/440763530.db2.gz JJTSMLBWDHXAHO-UHFFFAOYSA-N 1 3 338.496 0.908 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000645261100 440770262 /nfs/dbraw/zinc/77/02/62/440770262.db2.gz UORJFYGGZYIKBX-CQSZACIVSA-N 1 3 339.484 0.622 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000651269623 440780788 /nfs/dbraw/zinc/78/07/88/440780788.db2.gz GXPLFIMRKCNAIC-ZNMIVQPWSA-N 1 3 339.484 0.308 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000651269623 440780792 /nfs/dbraw/zinc/78/07/92/440780792.db2.gz GXPLFIMRKCNAIC-ZNMIVQPWSA-N 1 3 339.484 0.308 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656355500 440785986 /nfs/dbraw/zinc/78/59/86/440785986.db2.gz KWQXULYKQAXMAV-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO c1cn(C[C@@H]2CCN(CCC[N@@H+]3CC[C@@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145303 440797476 /nfs/dbraw/zinc/79/74/76/440797476.db2.gz KIQWJSRUUJZEAC-IAGOWNOFSA-N 1 3 344.467 0.604 20 0 ECADHO c1cn(C[C@@H]2CCN(CCC[N@H+]3CC[C@@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145303 440797482 /nfs/dbraw/zinc/79/74/82/440797482.db2.gz KIQWJSRUUJZEAC-IAGOWNOFSA-N 1 3 344.467 0.604 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NC[C@@H]3CC[N@H+](C)C3)ccc2[nH]c1=O ZINC000635399917 440836686 /nfs/dbraw/zinc/83/66/86/440836686.db2.gz RSCJYYNFNXQQHY-ZDUSSCGKSA-N 1 3 345.447 0.985 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)ccc2[nH]c1=O ZINC000635399917 440836696 /nfs/dbraw/zinc/83/66/96/440836696.db2.gz RSCJYYNFNXQQHY-ZDUSSCGKSA-N 1 3 345.447 0.985 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635489354 440869030 /nfs/dbraw/zinc/86/90/30/440869030.db2.gz YYDGJITYBRANAE-HOCLYGCPSA-N 1 3 336.480 0.707 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635489354 440869034 /nfs/dbraw/zinc/86/90/34/440869034.db2.gz YYDGJITYBRANAE-HOCLYGCPSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@H](N2CCCC2)C1 ZINC000645635263 440876447 /nfs/dbraw/zinc/87/64/47/440876447.db2.gz MQKXUIKNIKJGQQ-GJZGRUSLSA-N 1 3 332.452 0.731 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000661946635 440941926 /nfs/dbraw/zinc/94/19/26/440941926.db2.gz KYLMNXJKSGEPRL-KGLIPLIRSA-N 1 3 325.457 0.232 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000661946635 440941929 /nfs/dbraw/zinc/94/19/29/440941929.db2.gz KYLMNXJKSGEPRL-KGLIPLIRSA-N 1 3 325.457 0.232 20 0 ECADHO C(N1CC[C@@H]2COC[C@@H]2C1)C1(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)COC1 ZINC000662038010 440957100 /nfs/dbraw/zinc/95/71/00/440957100.db2.gz VIXFFMCATWJEGK-BDXSIMOUSA-N 1 3 336.476 0.940 20 0 ECADHO C(N1CC[C@@H]2COC[C@@H]2C1)C1(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)COC1 ZINC000662038010 440957106 /nfs/dbraw/zinc/95/71/06/440957106.db2.gz VIXFFMCATWJEGK-BDXSIMOUSA-N 1 3 336.476 0.940 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)C1 ZINC000646003001 440967806 /nfs/dbraw/zinc/96/78/06/440967806.db2.gz MYZNJZLDGHFCGG-HUUCEWRRSA-N 1 3 346.479 0.339 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000645803159 440924631 /nfs/dbraw/zinc/92/46/31/440924631.db2.gz BQXODHGPOYGHLQ-GRDNDAEWSA-N 1 3 335.452 0.916 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000630898348 440978666 /nfs/dbraw/zinc/97/86/66/440978666.db2.gz URZHTHQANHUPSX-UHFFFAOYSA-N 1 3 337.468 0.675 20 0 ECADHO CN1CCC[C@@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000630937446 440986929 /nfs/dbraw/zinc/98/69/29/440986929.db2.gz HOSYWPOMWNMOJA-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000630937446 440986933 /nfs/dbraw/zinc/98/69/33/440986933.db2.gz HOSYWPOMWNMOJA-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000630937446 440986939 /nfs/dbraw/zinc/98/69/39/440986939.db2.gz HOSYWPOMWNMOJA-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000630937446 440986947 /nfs/dbraw/zinc/98/69/47/440986947.db2.gz HOSYWPOMWNMOJA-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CCN(CC)C(=O)CN1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260888 440997909 /nfs/dbraw/zinc/99/79/09/440997909.db2.gz QDWUDKCKUJUHGN-MRXNPFEDSA-N 1 3 338.496 0.384 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CC[C@H]1N1CCN(C)CC1 ZINC000652238487 441034643 /nfs/dbraw/zinc/03/46/43/441034643.db2.gz IQQAVVPOYFGION-HZPDHXFCSA-N 1 3 337.512 0.783 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641042110 441051942 /nfs/dbraw/zinc/05/19/42/441051942.db2.gz GEWZJAPRPIZVBA-OAHLLOKOSA-N 1 3 337.468 0.078 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000179311184 320522680 /nfs/dbraw/zinc/52/26/80/320522680.db2.gz XQCRSIISPVRVOM-MRXNPFEDSA-N 1 3 325.501 0.748 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000339673485 320996293 /nfs/dbraw/zinc/99/62/93/320996293.db2.gz YJHMOFMBTXJZIA-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000340205188 321021588 /nfs/dbraw/zinc/02/15/88/321021588.db2.gz YYRGXKVGRZDMGJ-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000340213650 321022783 /nfs/dbraw/zinc/02/27/83/321022783.db2.gz KFPXXYMJCJZEBG-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000340213650 321022785 /nfs/dbraw/zinc/02/27/85/321022785.db2.gz KFPXXYMJCJZEBG-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000340218821 321024076 /nfs/dbraw/zinc/02/40/76/321024076.db2.gz VQMCDCLBIZVTJP-HUUCEWRRSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000340218821 321024077 /nfs/dbraw/zinc/02/40/77/321024077.db2.gz VQMCDCLBIZVTJP-HUUCEWRRSA-N 1 3 336.480 0.601 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000342045751 321073937 /nfs/dbraw/zinc/07/39/37/321073937.db2.gz USDBVMQJXUOFHF-SQWLQELKSA-N 1 3 336.480 0.718 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000342045751 321073939 /nfs/dbraw/zinc/07/39/39/321073939.db2.gz USDBVMQJXUOFHF-SQWLQELKSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)N(C)C1CC1 ZINC000342062638 321074788 /nfs/dbraw/zinc/07/47/88/321074788.db2.gz DPTYWYNDBMONRD-CQSZACIVSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000342366548 321086960 /nfs/dbraw/zinc/08/69/60/321086960.db2.gz QQHXKQGUUDAQBJ-PBHICJAKSA-N 1 3 338.496 0.957 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000342366548 321086962 /nfs/dbraw/zinc/08/69/62/321086962.db2.gz QQHXKQGUUDAQBJ-PBHICJAKSA-N 1 3 338.496 0.957 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000343315776 321133069 /nfs/dbraw/zinc/13/30/69/321133069.db2.gz YYQFBRFERWSWRD-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000343315776 321133071 /nfs/dbraw/zinc/13/30/71/321133071.db2.gz YYQFBRFERWSWRD-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000347976489 321261762 /nfs/dbraw/zinc/26/17/62/321261762.db2.gz MUOPSSYNKCMNKO-PMPSAXMXSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000351855463 321338356 /nfs/dbraw/zinc/33/83/56/321338356.db2.gz TXMITGMIKJNJRC-RYUDHWBXSA-N 1 3 340.449 0.332 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000352092494 321348497 /nfs/dbraw/zinc/34/84/97/321348497.db2.gz UDXCRMKEVWXLHC-GOEBONIOSA-N 1 3 326.485 0.857 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000352092494 321348498 /nfs/dbraw/zinc/34/84/98/321348498.db2.gz UDXCRMKEVWXLHC-GOEBONIOSA-N 1 3 326.485 0.857 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3cnccn3)CC2)CC1 ZINC000527448542 322009103 /nfs/dbraw/zinc/00/91/03/322009103.db2.gz DXJSBDMLONDZOD-UHFFFAOYSA-N 1 3 346.479 0.877 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000532790165 322061164 /nfs/dbraw/zinc/06/11/64/322061164.db2.gz GBMNKXFXPMJEPU-WMZOPIPTSA-N 1 3 334.464 0.722 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000559781669 322225109 /nfs/dbraw/zinc/22/51/09/322225109.db2.gz PFNCVTIMTDLTBM-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1cc2ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)n2n1 ZINC000560673518 322249128 /nfs/dbraw/zinc/24/91/28/322249128.db2.gz AMVFOKIODPJOOY-UHFFFAOYSA-N 1 3 332.452 0.912 20 0 ECADHO COCC[C@]1(NCC(=O)NC2CC[NH+](C3CC3)CC2)CCOC1 ZINC000562491806 322276271 /nfs/dbraw/zinc/27/62/71/322276271.db2.gz NKWNMLSDTZTWLK-KRWDZBQOSA-N 1 3 325.453 0.515 20 0 ECADHO CN1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000562793805 322284744 /nfs/dbraw/zinc/28/47/44/322284744.db2.gz FAHOOYWKRXXFHO-ROUUACIJSA-N 1 3 345.491 0.935 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000562815859 322285698 /nfs/dbraw/zinc/28/56/98/322285698.db2.gz FMPHZPMJBAKQMS-AEFFLSMTSA-N 1 3 343.475 0.563 20 0 ECADHO C[C@@H](NCC(=O)N1CCNCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000562955970 322289656 /nfs/dbraw/zinc/28/96/56/322289656.db2.gz QQMWBIXXTICTRQ-OAHLLOKOSA-N 1 3 334.464 0.709 20 0 ECADHO CN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000563102050 322298252 /nfs/dbraw/zinc/29/82/52/322298252.db2.gz UWJMXWUDLJKRFF-ROUUACIJSA-N 1 3 330.476 1.000 20 0 ECADHO CN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000563102050 322298253 /nfs/dbraw/zinc/29/82/53/322298253.db2.gz UWJMXWUDLJKRFF-ROUUACIJSA-N 1 3 330.476 1.000 20 0 ECADHO CC1CC[NH+](CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000564100956 322362275 /nfs/dbraw/zinc/36/22/75/322362275.db2.gz PCYOZKKABSCUSQ-GJZGRUSLSA-N 1 3 337.468 0.062 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000564347163 322371929 /nfs/dbraw/zinc/37/19/29/322371929.db2.gz GUGHQIAJJAODRF-LXTVHRRPSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000564347163 322371933 /nfs/dbraw/zinc/37/19/33/322371933.db2.gz GUGHQIAJJAODRF-LXTVHRRPSA-N 1 3 337.468 0.060 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000565610398 322467330 /nfs/dbraw/zinc/46/73/30/322467330.db2.gz RUKWQEFHTVRXQE-GJZGRUSLSA-N 1 3 326.485 0.713 20 0 ECADHO CCCN1CCC(N(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000567971351 322607897 /nfs/dbraw/zinc/60/78/97/322607897.db2.gz AZPSYSBPQKAVTB-AWEZNQCLSA-N 1 3 334.468 0.977 20 0 ECADHO C[C@H]1CN(CCCCNC(=O)COC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000572002662 322737735 /nfs/dbraw/zinc/73/77/35/322737735.db2.gz BTDMFYJUHQRSQU-GJZGRUSLSA-N 1 3 327.469 0.761 20 0 ECADHO CC(C)[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000575228363 322793089 /nfs/dbraw/zinc/79/30/89/322793089.db2.gz SATACRUHCQGLEO-INIZCTEOSA-N 1 3 340.512 0.833 20 0 ECADHO O=C(NCc1ccccc1C[NH+]1CCCCC1)C(=O)NC1CNC1 ZINC000578174464 322857071 /nfs/dbraw/zinc/85/70/71/322857071.db2.gz DPEYXXMBAYJJID-UHFFFAOYSA-N 1 3 330.432 0.377 20 0 ECADHO O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012037 782134854 /nfs/dbraw/zinc/13/48/54/782134854.db2.gz RYXVBGHRIZSQPX-HZPDHXFCSA-N 1 3 337.464 0.060 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1cccc(OC)c1 ZINC000163966418 528244284 /nfs/dbraw/zinc/24/42/84/528244284.db2.gz QZJARUBBJIJMKN-UAGQMJEPSA-N 1 3 335.448 0.917 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000342988163 546089552 /nfs/dbraw/zinc/08/95/52/546089552.db2.gz NLHZKAFWKCYCSH-HOTGVXAUSA-N 1 3 340.512 0.927 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000342988163 546089554 /nfs/dbraw/zinc/08/95/54/546089554.db2.gz NLHZKAFWKCYCSH-HOTGVXAUSA-N 1 3 340.512 0.927 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)C2)C1 ZINC000622031009 546612095 /nfs/dbraw/zinc/61/20/95/546612095.db2.gz FSJBJAAOXZGABH-JCGIZDLHSA-N 1 3 334.464 0.271 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000623712582 546826127 /nfs/dbraw/zinc/82/61/27/546826127.db2.gz HVAMEBWXDPXJEI-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000623712582 546826129 /nfs/dbraw/zinc/82/61/29/546826129.db2.gz HVAMEBWXDPXJEI-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO C[NH+](C)[C@H](CNc1nc(N)nc(N)n1)c1cccc(C(F)(F)F)c1 ZINC000624107558 546879125 /nfs/dbraw/zinc/87/91/25/546879125.db2.gz OCRRSQTUJJKGEG-SNVBAGLBSA-N 1 3 341.341 0.852 20 0 ECADHO C[C@@H](CN1CCOCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634642488 547381571 /nfs/dbraw/zinc/38/15/71/547381571.db2.gz LBWZTSUCSOODAF-HKUYNNGSSA-N 1 3 333.476 0.934 20 0 ECADHO C[C@@H](CN1CCOCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642488 547381579 /nfs/dbraw/zinc/38/15/79/547381579.db2.gz LBWZTSUCSOODAF-HKUYNNGSSA-N 1 3 333.476 0.934 20 0 ECADHO Cc1ccc([C@H](CNC(=O)NCCN2CC[C@H](O)C2)[NH+](C)C)cc1 ZINC000636662338 547389503 /nfs/dbraw/zinc/38/95/03/547389503.db2.gz NACUBGGBZCDXEI-IRXDYDNUSA-N 1 3 334.464 0.964 20 0 ECADHO C[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)[C@@H]1c1ccccc1 ZINC000636984908 547392384 /nfs/dbraw/zinc/39/23/84/547392384.db2.gz MLPMXCRMBVVJRB-ZACQAIPSSA-N 1 3 332.448 0.798 20 0 ECADHO C[N@H+]1CC[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)[C@@H]1c1ccccc1 ZINC000636984908 547392389 /nfs/dbraw/zinc/39/23/89/547392389.db2.gz MLPMXCRMBVVJRB-ZACQAIPSSA-N 1 3 332.448 0.798 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656297865 547439444 /nfs/dbraw/zinc/43/94/44/547439444.db2.gz JTBJCSKEXPCZPV-UAGQMJEPSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656297865 547439446 /nfs/dbraw/zinc/43/94/46/547439446.db2.gz JTBJCSKEXPCZPV-UAGQMJEPSA-N 1 3 348.491 0.720 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000667264413 547492531 /nfs/dbraw/zinc/49/25/31/547492531.db2.gz MEMQCFXHTKKEPV-OAHLLOKOSA-N 1 3 348.447 0.824 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668329226 547619427 /nfs/dbraw/zinc/61/94/27/547619427.db2.gz PSXFKEURGLUNLZ-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCO1 ZINC000668649627 547712025 /nfs/dbraw/zinc/71/20/25/547712025.db2.gz YIFGFRVEYNEBGI-BHYGNILZSA-N 1 3 334.464 0.917 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668730705 547737931 /nfs/dbraw/zinc/73/79/31/547737931.db2.gz SJAWQRKQFMQTDE-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668730705 547737936 /nfs/dbraw/zinc/73/79/36/547737936.db2.gz SJAWQRKQFMQTDE-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000670436318 548010762 /nfs/dbraw/zinc/01/07/62/548010762.db2.gz ZRZBCYHVXILWOV-WCVJEAGWSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000670783180 548047725 /nfs/dbraw/zinc/04/77/25/548047725.db2.gz QTHLWFJQYXUADC-OAHLLOKOSA-N 1 3 336.480 0.718 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000670983913 548074844 /nfs/dbraw/zinc/07/48/44/548074844.db2.gz SGOUHXRLBVCQNX-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000670983912 548075908 /nfs/dbraw/zinc/07/59/08/548075908.db2.gz SGOUHXRLBVCQNX-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000671343369 548124571 /nfs/dbraw/zinc/12/45/71/548124571.db2.gz LXRRQSWMXBOCLI-KRWDZBQOSA-N 1 3 348.491 0.686 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000672008537 548253440 /nfs/dbraw/zinc/25/34/40/548253440.db2.gz KCGQYOGVGHTKDR-XJKSGUPXSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@@H+]1C ZINC000672311998 548308779 /nfs/dbraw/zinc/30/87/79/548308779.db2.gz PQBBZFOXZUTMKT-KBMXLJTQSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@H+]1C ZINC000672311998 548308785 /nfs/dbraw/zinc/30/87/85/548308785.db2.gz PQBBZFOXZUTMKT-KBMXLJTQSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)(C)C[NH+](C)C ZINC000672312459 548309734 /nfs/dbraw/zinc/30/97/34/548309734.db2.gz PCHOIQRTSCNLLM-DZGCQCFKSA-N 1 3 338.496 0.679 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000672593558 548358036 /nfs/dbraw/zinc/35/80/36/548358036.db2.gz XWQMTLHSGSRPOS-QXSJWSMHSA-N 1 3 336.480 0.671 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000672593558 548358037 /nfs/dbraw/zinc/35/80/37/548358037.db2.gz XWQMTLHSGSRPOS-QXSJWSMHSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCCO1 ZINC000672976251 548421321 /nfs/dbraw/zinc/42/13/21/548421321.db2.gz IHFWOBPAXKDJDX-LSDHHAIUSA-N 1 3 342.484 0.012 20 0 ECADHO C[N@@H+]1CCCN(CCCNCc2cn(Cc3cccnc3)nn2)CC1 ZINC000680119396 549149464 /nfs/dbraw/zinc/14/94/64/549149464.db2.gz DMHVJKRKCOAZSQ-UHFFFAOYSA-N 1 3 343.479 0.839 20 0 ECADHO C[N@H+]1CCCN(CCCNCc2cn(Cc3cccnc3)nn2)CC1 ZINC000680119396 549149466 /nfs/dbraw/zinc/14/94/66/549149466.db2.gz DMHVJKRKCOAZSQ-UHFFFAOYSA-N 1 3 343.479 0.839 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NCC3([NH+](C)C)CCC3)CC2)C1 ZINC000682122720 549364517 /nfs/dbraw/zinc/36/45/17/549364517.db2.gz GBXRUMZOPUTINP-MRXNPFEDSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000685309767 549677660 /nfs/dbraw/zinc/67/76/60/549677660.db2.gz JOTCCXWJRWVZQE-CLWVCHIJSA-N 1 3 336.480 0.526 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000685309767 549677661 /nfs/dbraw/zinc/67/76/61/549677661.db2.gz JOTCCXWJRWVZQE-CLWVCHIJSA-N 1 3 336.480 0.526 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000758454497 579473473 /nfs/dbraw/zinc/47/34/73/579473473.db2.gz AYWSHPABHWGUMR-CVEARBPZSA-N 1 3 342.484 0.507 20 0 ECADHO C[NH+]1CCC(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736848933 578456880 /nfs/dbraw/zinc/45/68/80/578456880.db2.gz PFDUKLJKCVATQW-CYBMUJFWSA-N 1 3 345.455 0.426 20 0 ECADHO C[NH+]1CCC(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736848933 578456881 /nfs/dbraw/zinc/45/68/81/578456881.db2.gz PFDUKLJKCVATQW-CYBMUJFWSA-N 1 3 345.455 0.426 20 0 ECADHO CN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000796813059 578627852 /nfs/dbraw/zinc/62/78/52/578627852.db2.gz VPECBWCQFPLSON-KKUMJFAQSA-N 1 3 331.482 0.111 20 0 ECADHO C[C@@H](Cc1ccco1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000787933326 578822352 /nfs/dbraw/zinc/82/23/52/578822352.db2.gz OTLRJWPGVVNQFH-AWEZNQCLSA-N 1 3 338.452 0.279 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)N1CCCCC1 ZINC000793716719 578937306 /nfs/dbraw/zinc/93/73/06/578937306.db2.gz LDWVKEUXPWPCBF-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)C1CCN(C)CC1 ZINC000746243031 579834084 /nfs/dbraw/zinc/83/40/84/579834084.db2.gz QNPBTPGYHWDQBY-CQSZACIVSA-N 1 3 338.496 0.633 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841039757 588976585 /nfs/dbraw/zinc/97/65/85/588976585.db2.gz ATAJGLKUKXFEFC-AWEZNQCLSA-N 1 3 334.420 0.563 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc2)CC1 ZINC000841182737 588981380 /nfs/dbraw/zinc/98/13/80/588981380.db2.gz ICRNFWBNHMQIPN-UHFFFAOYSA-N 1 3 347.463 0.574 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1c1ccccc1 ZINC000841790267 589001158 /nfs/dbraw/zinc/00/11/58/589001158.db2.gz BJOYHLNWLKMUPJ-XWTMOSNGSA-N 1 3 344.459 0.986 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000842014539 589008287 /nfs/dbraw/zinc/00/82/87/589008287.db2.gz CMBZRCVOHIVAJL-LVQVYYBASA-N 1 3 336.480 0.481 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842174848 589016981 /nfs/dbraw/zinc/01/69/81/589016981.db2.gz KXQPKEGFVTUXDT-OAHLLOKOSA-N 1 3 346.475 0.795 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842230518 589022896 /nfs/dbraw/zinc/02/28/96/589022896.db2.gz JYLODEUOSVCIME-UHFFFAOYSA-N 1 3 332.448 0.357 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000895665581 586197105 /nfs/dbraw/zinc/19/71/05/586197105.db2.gz DHOCPXKKEYRQDP-XHSDSOJGSA-N 1 3 325.501 0.604 20 0 ECADHO CN1CCN(CCCCNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895710074 586200431 /nfs/dbraw/zinc/20/04/31/586200431.db2.gz FTHWRFDBHGNGNK-UHFFFAOYSA-N 1 3 338.496 0.241 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C[C@]2(C)C1 ZINC000895851401 586208501 /nfs/dbraw/zinc/20/85/01/586208501.db2.gz OWMYQVOSCGIONK-KYJSFNMBSA-N 1 3 336.480 0.833 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C[C@]2(C)C1 ZINC000895851401 586208502 /nfs/dbraw/zinc/20/85/02/586208502.db2.gz OWMYQVOSCGIONK-KYJSFNMBSA-N 1 3 336.480 0.833 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000896043217 586219121 /nfs/dbraw/zinc/21/91/21/586219121.db2.gz OTSQSWXTDDYZFC-XHSDSOJGSA-N 1 3 338.496 0.763 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000896043217 586219123 /nfs/dbraw/zinc/21/91/23/586219123.db2.gz OTSQSWXTDDYZFC-XHSDSOJGSA-N 1 3 338.496 0.763 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CNCCC1(F)F ZINC000892157763 586224945 /nfs/dbraw/zinc/22/49/45/586224945.db2.gz WCCQQXQMYNHSKD-AWEZNQCLSA-N 1 3 348.438 0.983 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CNCCO3)C2)cc1 ZINC000892180652 586227891 /nfs/dbraw/zinc/22/78/91/586227891.db2.gz OEVDCHFISWZVKE-SJORKVTESA-N 1 3 332.448 0.857 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000892180652 586227893 /nfs/dbraw/zinc/22/78/93/586227893.db2.gz OEVDCHFISWZVKE-SJORKVTESA-N 1 3 332.448 0.857 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000893239062 586319107 /nfs/dbraw/zinc/31/91/07/586319107.db2.gz RAROZOVHUVCFAT-ZACQAIPSSA-N 1 3 337.512 0.463 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000893239062 586319110 /nfs/dbraw/zinc/31/91/10/586319110.db2.gz RAROZOVHUVCFAT-ZACQAIPSSA-N 1 3 337.512 0.463 20 0 ECADHO C[C@H]1CC[N@H+](CCNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000897473077 586328701 /nfs/dbraw/zinc/32/87/01/586328701.db2.gz VKOAXKJUBSQTIP-KBPBESRZSA-N 1 3 325.457 0.090 20 0 ECADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000897473077 586328702 /nfs/dbraw/zinc/32/87/02/586328702.db2.gz VKOAXKJUBSQTIP-KBPBESRZSA-N 1 3 325.457 0.090 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CCN1c1cc[nH+]cc1 ZINC000897550602 586342885 /nfs/dbraw/zinc/34/28/85/586342885.db2.gz OTOCOYUKPTXEQK-CQSZACIVSA-N 1 3 345.447 0.329 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)C1CN([C@@H]2CCOC2)C1 ZINC000897783253 586370327 /nfs/dbraw/zinc/37/03/27/586370327.db2.gz NHXGTNXUVCENJJ-MRXNPFEDSA-N 1 3 326.485 0.049 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C1CN([C@@H]2CCOC2)C1 ZINC000897783253 586370330 /nfs/dbraw/zinc/37/03/30/586370330.db2.gz NHXGTNXUVCENJJ-MRXNPFEDSA-N 1 3 326.485 0.049 20 0 ECADHO CN(CCCN(C)C(=O)C1CN([C@@H]2CCOC2)C1)CC[NH+](C)C ZINC000897783253 586370333 /nfs/dbraw/zinc/37/03/33/586370333.db2.gz NHXGTNXUVCENJJ-MRXNPFEDSA-N 1 3 326.485 0.049 20 0 ECADHO O=C(N[C@H]1CCCN(CCCO)C1)C1C[NH+](C2CCOCC2)C1 ZINC000897881481 586378984 /nfs/dbraw/zinc/37/89/84/586378984.db2.gz WABXEIGEJLQJOV-HNNXBMFYSA-N 1 3 325.453 0.060 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894521339 586397393 /nfs/dbraw/zinc/39/73/93/586397393.db2.gz NKOGOUUOMBRIHM-OWCLPIDISA-N 1 3 326.485 0.957 20 0 ECADHO CC1(C)CC[N@H+](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000898590471 586434487 /nfs/dbraw/zinc/43/44/87/586434487.db2.gz HSDFAFKKMTYQNJ-HNNXBMFYSA-N 1 3 326.485 0.864 20 0 ECADHO CC1(C)CC[N@@H+](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000898590471 586434489 /nfs/dbraw/zinc/43/44/89/586434489.db2.gz HSDFAFKKMTYQNJ-HNNXBMFYSA-N 1 3 326.485 0.864 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C\Cn1cncn1 ZINC000900481652 586635360 /nfs/dbraw/zinc/63/53/60/586635360.db2.gz SVVUMSINJFKYBF-IOBAAEILSA-N 1 3 334.468 0.709 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C\Cn1cncn1 ZINC000900481652 586635362 /nfs/dbraw/zinc/63/53/62/586635362.db2.gz SVVUMSINJFKYBF-IOBAAEILSA-N 1 3 334.468 0.709 20 0 ECADHO C[C@@H]1CN(CC(=O)NC[C@@H]2COc3ccccc3O2)C[C@H]1CC[NH3+] ZINC000903496636 586780022 /nfs/dbraw/zinc/78/00/22/586780022.db2.gz WLMNGXDGYRISBI-RBSFLKMASA-N 1 3 333.432 0.859 20 0 ECADHO CNC(=O)[C@H](NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000903497021 586780085 /nfs/dbraw/zinc/78/00/85/586780085.db2.gz NIRHJOSSYXPNBO-FRFSOERESA-N 1 3 332.448 0.507 20 0 ECADHO CS(=O)(=O)NC[C@@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903724455 586802480 /nfs/dbraw/zinc/80/24/80/586802480.db2.gz NQIGVBIQMFWTFQ-LSDHHAIUSA-N 1 3 345.509 0.406 20 0 ECADHO COC(=O)c1cn(C2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903761080 586808371 /nfs/dbraw/zinc/80/83/71/586808371.db2.gz ZOCIDWKJNWCROA-WMLDXEAASA-N 1 3 349.435 0.470 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000903824195 586817992 /nfs/dbraw/zinc/81/79/92/586817992.db2.gz NARHTKHDHJSXSX-ROUUACIJSA-N 1 3 346.475 0.655 20 0 ECADHO Cc1c(C[C@H](CN)C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cnn1C ZINC000903900117 586824241 /nfs/dbraw/zinc/82/42/41/586824241.db2.gz YRLLILQYUPHXHH-HYVNUMGLSA-N 1 3 333.480 0.837 20 0 ECADHO Cc1c(C[C@H](CN)C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cnn1C ZINC000903900117 586824243 /nfs/dbraw/zinc/82/42/43/586824243.db2.gz YRLLILQYUPHXHH-HYVNUMGLSA-N 1 3 333.480 0.837 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cnn1C ZINC000903900117 586824245 /nfs/dbraw/zinc/82/42/45/586824245.db2.gz YRLLILQYUPHXHH-HYVNUMGLSA-N 1 3 333.480 0.837 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCNC[C@H]1c1cccnc1 ZINC000903905272 586825065 /nfs/dbraw/zinc/82/50/65/586825065.db2.gz BYMPZCARNHUEEQ-RDJZCZTQSA-N 1 3 327.436 0.744 20 0 ECADHO NCc1cn([C@@H]2CCCN(Cc3ccc(N4CC[NH2+]CC4)o3)C2)nn1 ZINC000904371753 586835983 /nfs/dbraw/zinc/83/59/83/586835983.db2.gz SLAKZRUWVLMBNO-OAHLLOKOSA-N 1 3 345.451 0.577 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000904973768 586852164 /nfs/dbraw/zinc/85/21/64/586852164.db2.gz QPXZQOKHMJYEIA-RLFYNMQTSA-N 1 3 334.464 0.413 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000904959279 586855157 /nfs/dbraw/zinc/85/51/57/586855157.db2.gz DDMQYNQAXSQARI-OAHLLOKOSA-N 1 3 338.496 0.763 20 0 ECADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32CN)C1 ZINC000905004931 586858273 /nfs/dbraw/zinc/85/82/73/586858273.db2.gz CKWOXCUSIUYSDK-BXWFABGCSA-N 1 3 348.491 0.517 20 0 ECADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32CN)C1 ZINC000905004931 586858279 /nfs/dbraw/zinc/85/82/79/586858279.db2.gz CKWOXCUSIUYSDK-BXWFABGCSA-N 1 3 348.491 0.517 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32CN)C1 ZINC000905011569 586861397 /nfs/dbraw/zinc/86/13/97/586861397.db2.gz XWGDPPZUDZPRRK-DAYGRLMNSA-N 1 3 336.480 0.517 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32CN)C1 ZINC000905011569 586861401 /nfs/dbraw/zinc/86/14/01/586861401.db2.gz XWGDPPZUDZPRRK-DAYGRLMNSA-N 1 3 336.480 0.517 20 0 ECADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843488585 589071517 /nfs/dbraw/zinc/07/15/17/589071517.db2.gz GLVYLARECKALCV-RHSMWYFYSA-N 1 3 343.443 0.954 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC[C@@H](O)C[C@]2(O)CCOC2)c1 ZINC000905089741 586867987 /nfs/dbraw/zinc/86/79/87/586867987.db2.gz PVWUCDMUCQJIAI-FUHWJXTLSA-N 1 3 338.448 0.619 20 0 ECADHO COc1cccc([C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)N(C)C)c1 ZINC000905392924 586892606 /nfs/dbraw/zinc/89/26/06/586892606.db2.gz RENJSSCCCGEXHV-GOSISDBHSA-N 1 3 348.491 0.908 20 0 ECADHO COc1cccc([C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)N(C)C)c1 ZINC000905392924 586892607 /nfs/dbraw/zinc/89/26/07/586892607.db2.gz RENJSSCCCGEXHV-GOSISDBHSA-N 1 3 348.491 0.908 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000906285658 586938952 /nfs/dbraw/zinc/93/89/52/586938952.db2.gz KEDGFJPYWQHICO-UHFFFAOYSA-N 1 3 345.491 0.656 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000906285658 586938953 /nfs/dbraw/zinc/93/89/53/586938953.db2.gz KEDGFJPYWQHICO-UHFFFAOYSA-N 1 3 345.491 0.656 20 0 ECADHO CS[C@@H]1CN(C(=O)C[C@@]2(O)CCCN(C)C2)C[C@@H]1[NH+]1CCCC1 ZINC000907353024 587036763 /nfs/dbraw/zinc/03/67/63/587036763.db2.gz GSLZSLFROVCDOM-UXLLHSPISA-N 1 3 341.521 0.871 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC000815207111 587284119 /nfs/dbraw/zinc/28/41/19/587284119.db2.gz SQCHMGLPKOGOJX-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC000815207111 587284120 /nfs/dbraw/zinc/28/41/20/587284120.db2.gz SQCHMGLPKOGOJX-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC(=O)CC1 ZINC000815207110 587284134 /nfs/dbraw/zinc/28/41/34/587284134.db2.gz SQCHMGLPKOGOJX-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC(=O)CC1 ZINC000815207110 587284135 /nfs/dbraw/zinc/28/41/35/587284135.db2.gz SQCHMGLPKOGOJX-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCOC(=O)C1([C@H](C)NCCS(=O)(=O)CC2CC2)CC[NH2+]CC1 ZINC000817907617 587391334 /nfs/dbraw/zinc/39/13/34/587391334.db2.gz GBKPRCKJZGPWQL-ZDUSSCGKSA-N 1 3 346.493 0.722 20 0 ECADHO C[C@H]1CC[NH2+]C[C@@H]1NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000817912777 587391672 /nfs/dbraw/zinc/39/16/72/587391672.db2.gz RUDFLAWIQDIGLN-JQWIXIFHSA-N 1 3 325.425 0.838 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](O)(C(F)F)C1 ZINC000820087069 587508133 /nfs/dbraw/zinc/50/81/33/587508133.db2.gz PPWLSGTUMDKKMN-WFASDCNBSA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](O)(C(F)F)C1 ZINC000820087069 587508134 /nfs/dbraw/zinc/50/81/34/587508134.db2.gz PPWLSGTUMDKKMN-WFASDCNBSA-N 1 3 336.427 0.670 20 0 ECADHO CC(C)[C@H](CO)ONC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000824271934 587864807 /nfs/dbraw/zinc/86/48/07/587864807.db2.gz OBCUFRATHAWFPY-INIZCTEOSA-N 1 3 342.484 0.793 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCCC3)CC[C@@H]21 ZINC000867411664 589195783 /nfs/dbraw/zinc/19/57/83/589195783.db2.gz QURSIWIPGOBPLP-IKGGRYGDSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCCC3)CC[C@@H]21 ZINC000867411664 589195785 /nfs/dbraw/zinc/19/57/85/589195785.db2.gz QURSIWIPGOBPLP-IKGGRYGDSA-N 1 3 348.491 0.626 20 0 ECADHO CCCN1CCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000849051185 589318646 /nfs/dbraw/zinc/31/86/46/589318646.db2.gz ZKXHCRTVGAGPHD-HNNXBMFYSA-N 1 3 331.468 0.997 20 0 ECADHO NC[C@@H]1CC(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)=NO1 ZINC000852893401 589523187 /nfs/dbraw/zinc/52/31/87/589523187.db2.gz VTQOQBPKTCWCOZ-HNNXBMFYSA-N 1 3 345.447 0.200 20 0 ECADHO CCOC(=O)[C@@H]1NCC[C@H]1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000854216621 589575155 /nfs/dbraw/zinc/57/51/55/589575155.db2.gz BHNZAJWLGZXCNZ-IAGOWNOFSA-N 1 3 339.480 0.761 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)C(C)C ZINC000861491190 589855537 /nfs/dbraw/zinc/85/55/37/589855537.db2.gz JWIBEECLSFXMKZ-UHFFFAOYSA-N 1 3 348.447 0.954 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)C(C)C ZINC000861491190 589855539 /nfs/dbraw/zinc/85/55/39/589855539.db2.gz JWIBEECLSFXMKZ-UHFFFAOYSA-N 1 3 348.447 0.954 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000868401012 589901900 /nfs/dbraw/zinc/90/19/00/589901900.db2.gz PCZREBNROUDXCQ-CZUORRHYSA-N 1 3 332.448 0.655 20 0 ECADHO CN(C)CCOCCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870927894 590040537 /nfs/dbraw/zinc/04/05/37/590040537.db2.gz LVFYRGHVPPLRTM-UHFFFAOYSA-N 1 3 326.466 0.918 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)C2 ZINC000872189742 590101254 /nfs/dbraw/zinc/10/12/54/590101254.db2.gz JFEAXPFUBVYWBG-RLFYNMQTSA-N 1 3 334.464 0.141 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(CC)CC ZINC000872303237 590112382 /nfs/dbraw/zinc/11/23/82/590112382.db2.gz DWVQFYXFOBNWIQ-BARDWOONSA-N 1 3 338.452 0.500 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(F)C(=O)N(C)CC[NH+]1CCCC1 ZINC000865158592 590127839 /nfs/dbraw/zinc/12/78/39/590127839.db2.gz BVNKZUGKHICIOS-UHFFFAOYSA-N 1 3 342.459 0.433 20 0 ECADHO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242619 590187247 /nfs/dbraw/zinc/18/72/47/590187247.db2.gz CFJGEICABGKGQT-ZFWWWQNUSA-N 1 3 330.436 0.583 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000875727842 590326054 /nfs/dbraw/zinc/32/60/54/590326054.db2.gz DNIICENQYUCQFJ-CSLYMUCUSA-N 1 3 338.496 0.918 20 0 ECADHO C[NH2+]C1(CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CCC1 ZINC000880193992 590375591 /nfs/dbraw/zinc/37/55/91/590375591.db2.gz LTKBIYKVWDPSGZ-LBPRGKRZSA-N 1 3 328.457 0.700 20 0 ECADHO CN1CCC(NC(=O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880201892 590376075 /nfs/dbraw/zinc/37/60/75/590376075.db2.gz USDDDGSVSOSKBO-KRWDZBQOSA-N 1 3 338.496 0.430 20 0 ECADHO CN(C)C[C@H](N)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000876520535 590385225 /nfs/dbraw/zinc/38/52/25/590385225.db2.gz AAOMRWKXDPCJRV-OCCSQVGLSA-N 1 3 334.420 0.423 20 0 ECADHO CN(C)C[C@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000876926237 590427534 /nfs/dbraw/zinc/42/75/34/590427534.db2.gz NBQCAAANSWYEMT-HNNXBMFYSA-N 1 3 348.495 0.472 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000877080688 590437355 /nfs/dbraw/zinc/43/73/55/590437355.db2.gz GVKPVSNDFPXMQG-STQMWFEESA-N 1 3 331.407 0.930 20 0 ECADHO C[C@]1(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CCC[NH2+]C1 ZINC000877206524 590444607 /nfs/dbraw/zinc/44/46/07/590444607.db2.gz JMAQFJJVCNZZHJ-KRWDZBQOSA-N 1 3 328.420 0.732 20 0 ECADHO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000877205944 590444873 /nfs/dbraw/zinc/44/48/73/590444873.db2.gz BITLDVZPHLFWPH-BLLLJJGKSA-N 1 3 328.420 0.730 20 0 ECADHO COCCC1(NC(=O)[C@@H](N)CN(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000877268546 590452144 /nfs/dbraw/zinc/45/21/44/590452144.db2.gz JUOMUARYWITQHZ-KRWDZBQOSA-N 1 3 348.491 0.721 20 0 ECADHO Cc1c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)nnn1C1CC[NH2+]CC1 ZINC000877451227 590466192 /nfs/dbraw/zinc/46/61/92/590466192.db2.gz LPACDVQRRNLHGH-HUUCEWRRSA-N 1 3 332.452 0.820 20 0 ECADHO Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)nnn1C1CC[NH2+]CC1 ZINC000877451224 590466245 /nfs/dbraw/zinc/46/62/45/590466245.db2.gz LPACDVQRRNLHGH-GJZGRUSLSA-N 1 3 332.452 0.820 20 0 ECADHO C[NH+]1CCC(NC(=O)CNC2(C(N)=O)C3CC4CC(C3)CC2C4)CC1 ZINC000878705164 590536813 /nfs/dbraw/zinc/53/68/13/590536813.db2.gz QEEWSEMJFQDOPT-UHFFFAOYSA-N 1 3 348.491 0.467 20 0 ECADHO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC(=O)NC2CCN(C)CC2)cn1 ZINC000878950940 590553700 /nfs/dbraw/zinc/55/37/00/590553700.db2.gz ASJSQAUUYBNCRS-NVXWUHKLSA-N 1 3 333.480 0.931 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CCN1c1ccncc1 ZINC000883639698 590637213 /nfs/dbraw/zinc/63/72/13/590637213.db2.gz WNSRXGOGTVKCTQ-KBXCAEBGSA-N 1 3 345.447 0.316 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CCN1c1ccncc1 ZINC000883639208 590637625 /nfs/dbraw/zinc/63/76/25/590637625.db2.gz JHKNKMGXKJBNNV-AWEZNQCLSA-N 1 3 345.447 0.316 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCNCCC34CCC4)C2)C1 ZINC000883658983 590646590 /nfs/dbraw/zinc/64/65/90/590646590.db2.gz UIVQJRMLBBTSDD-QGZVFWFLSA-N 1 3 334.464 0.285 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCNCCC34CCC4)C2)C1 ZINC000883658983 590646591 /nfs/dbraw/zinc/64/65/91/590646591.db2.gz UIVQJRMLBBTSDD-QGZVFWFLSA-N 1 3 334.464 0.285 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885152917 590688784 /nfs/dbraw/zinc/68/87/84/590688784.db2.gz ZLZAFFPQYOLZQV-SJORKVTESA-N 1 3 344.459 0.370 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885152917 590688786 /nfs/dbraw/zinc/68/87/86/590688786.db2.gz ZLZAFFPQYOLZQV-SJORKVTESA-N 1 3 344.459 0.370 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885162889 590690845 /nfs/dbraw/zinc/69/08/45/590690845.db2.gz UQZXIXPLTAYHAE-KRWDZBQOSA-N 1 3 346.475 0.616 20 0 ECADHO C[NH2+]CCOc1cccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000884207656 590774981 /nfs/dbraw/zinc/77/49/81/590774981.db2.gz BTDLJLUNULZJFR-DOTOQJQBSA-N 1 3 333.432 0.878 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCOCC1)C1C[NH+](C2CCOCC2)C1 ZINC000885890479 590778658 /nfs/dbraw/zinc/77/86/58/590778658.db2.gz FFFBVDNUYFCCAE-QGZVFWFLSA-N 1 3 337.464 0.467 20 0 ECADHO C[C@@H]1C[C@@H](C)N(C(=O)c2ccnc(N3CCNCC3)c2)C[C@H]1C[NH3+] ZINC000884347398 590811592 /nfs/dbraw/zinc/81/15/92/590811592.db2.gz RXEAGQAJTNDZMJ-IIAWOOMASA-N 1 3 331.464 0.937 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884462814 590834220 /nfs/dbraw/zinc/83/42/20/590834220.db2.gz PNIWXUXFACEWKR-OAHLLOKOSA-N 1 3 331.464 0.999 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884577131 590862658 /nfs/dbraw/zinc/86/26/58/590862658.db2.gz YGZKIWFAZLQXON-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCNCCC12CCC2 ZINC000884626551 590876208 /nfs/dbraw/zinc/87/62/08/590876208.db2.gz OOHNHMTYRWDUCB-CABCVRRESA-N 1 3 334.464 0.474 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCNCCC12CCC2 ZINC000884626551 590876209 /nfs/dbraw/zinc/87/62/09/590876209.db2.gz OOHNHMTYRWDUCB-CABCVRRESA-N 1 3 334.464 0.474 20 0 ECADHO [NH3+]CCNC(=O)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000884672866 590888472 /nfs/dbraw/zinc/88/84/72/590888472.db2.gz FSPVSSTYXBBKKN-MRXNPFEDSA-N 1 3 332.448 0.622 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884676641 590890120 /nfs/dbraw/zinc/89/01/20/590890120.db2.gz SQWNABLSEYUGME-AWEZNQCLSA-N 1 3 333.436 0.235 20 0 ECADHO O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000884692644 590899451 /nfs/dbraw/zinc/89/94/51/590899451.db2.gz MWTPHLCKVWPEPF-INIZCTEOSA-N 1 3 344.459 0.635 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884699513 590901053 /nfs/dbraw/zinc/90/10/53/590901053.db2.gz DMOIKRHXJVLCSQ-HUUCEWRRSA-N 1 3 347.463 0.608 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884699512 590901190 /nfs/dbraw/zinc/90/11/90/590901190.db2.gz DMOIKRHXJVLCSQ-GJZGRUSLSA-N 1 3 347.463 0.608 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000884704482 590902625 /nfs/dbraw/zinc/90/26/25/590902625.db2.gz INFHPFZMRBOCFM-OAHLLOKOSA-N 1 3 346.475 0.868 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000884709433 590904181 /nfs/dbraw/zinc/90/41/81/590904181.db2.gz GJRPPMNMBFVEEE-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884720231 590908487 /nfs/dbraw/zinc/90/84/87/590908487.db2.gz IUVLHFKLVYJLNN-GJZGRUSLSA-N 1 3 347.463 0.752 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCCCCCC[NH3+])CCN1c1ccncc1 ZINC000884732860 590913394 /nfs/dbraw/zinc/91/33/94/590913394.db2.gz UTMMEOXXGKDBOE-HNNXBMFYSA-N 1 3 347.463 0.754 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CCN1c1ccncc1 ZINC000884750732 590915159 /nfs/dbraw/zinc/91/51/59/590915159.db2.gz GFWBTLBCNGTQQZ-AWEZNQCLSA-N 1 3 345.447 0.364 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C[NH2+]1 ZINC000884818320 590928926 /nfs/dbraw/zinc/92/89/26/590928926.db2.gz ZOTULOUTTROAQD-ILXRZTDVSA-N 1 3 345.447 0.375 20 0 ECADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000889744310 591076547 /nfs/dbraw/zinc/07/65/47/591076547.db2.gz VBLPWFYSCBTNBA-CVEARBPZSA-N 1 3 325.453 0.155 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633246 611377207 /nfs/dbraw/zinc/37/72/07/611377207.db2.gz OEODVPDDURDFLU-UXLLHSPISA-N 1 3 338.496 0.489 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633246 611377211 /nfs/dbraw/zinc/37/72/11/611377211.db2.gz OEODVPDDURDFLU-UXLLHSPISA-N 1 3 338.496 0.489 20 0 ECADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000924702824 611424278 /nfs/dbraw/zinc/42/42/78/611424278.db2.gz XTSPHWUEOXFVDV-FKEKPDDDSA-N 1 3 330.432 0.332 20 0 ECADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000924702824 611424280 /nfs/dbraw/zinc/42/42/80/611424280.db2.gz XTSPHWUEOXFVDV-FKEKPDDDSA-N 1 3 330.432 0.332 20 0 ECADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924855101 611435718 /nfs/dbraw/zinc/43/57/18/611435718.db2.gz VINBUMQFPFTDJD-CHWSQXEVSA-N 1 3 341.477 0.936 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925330969 611469541 /nfs/dbraw/zinc/46/95/41/611469541.db2.gz VYWKESDPCRXOOI-CABCVRRESA-N 1 3 339.484 0.275 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925330969 611469544 /nfs/dbraw/zinc/46/95/44/611469544.db2.gz VYWKESDPCRXOOI-CABCVRRESA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946779261 611472434 /nfs/dbraw/zinc/47/24/34/611472434.db2.gz LTZXYPCEQWQDAK-WCXIOVBPSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946779261 611472437 /nfs/dbraw/zinc/47/24/37/611472437.db2.gz LTZXYPCEQWQDAK-WCXIOVBPSA-N 1 3 348.491 0.387 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1=O ZINC000925344275 611472947 /nfs/dbraw/zinc/47/29/47/611472947.db2.gz SJSMORLRHYMQEB-SOUVJXGZSA-N 1 3 338.452 0.236 20 0 ECADHO C[NH+](C)CC1(O)CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000931488373 611544913 /nfs/dbraw/zinc/54/49/13/611544913.db2.gz QNBVFOFLXRRVCE-HNNXBMFYSA-N 1 3 326.412 0.954 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CCC1(C)C ZINC000926391597 611546472 /nfs/dbraw/zinc/54/64/72/611546472.db2.gz RXQXDGIVOMQJHQ-GOSISDBHSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000931538334 611548117 /nfs/dbraw/zinc/54/81/17/611548117.db2.gz HWTIWSUROBMYPZ-JKSUJKDBSA-N 1 3 336.480 0.800 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000931538334 611548121 /nfs/dbraw/zinc/54/81/21/611548121.db2.gz HWTIWSUROBMYPZ-JKSUJKDBSA-N 1 3 336.480 0.800 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000932715377 611658398 /nfs/dbraw/zinc/65/83/98/611658398.db2.gz JMMUVEDQPRXHKJ-MRXNPFEDSA-N 1 3 340.512 0.487 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCn1cncn1 ZINC000947684364 609125063 /nfs/dbraw/zinc/12/50/63/609125063.db2.gz IAFCNNJMZULSEO-ZBFHGGJFSA-N 1 3 334.468 0.589 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C)[C@H]2C)CC1=O ZINC000928448326 611689454 /nfs/dbraw/zinc/68/94/54/611689454.db2.gz NIDLWVYPQVFCMW-JJXSEGSLSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C)[C@H]2C)CC1=O ZINC000928448326 611689456 /nfs/dbraw/zinc/68/94/56/611689456.db2.gz NIDLWVYPQVFCMW-JJXSEGSLSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000932949649 611691257 /nfs/dbraw/zinc/69/12/57/611691257.db2.gz NDYLJDAARVYMRK-HNNXBMFYSA-N 1 3 332.514 0.013 20 0 ECADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000932949649 611691259 /nfs/dbraw/zinc/69/12/59/611691259.db2.gz NDYLJDAARVYMRK-HNNXBMFYSA-N 1 3 332.514 0.013 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000938182789 609495594 /nfs/dbraw/zinc/49/55/94/609495594.db2.gz IGIRBRHEYHJKBG-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)CCCS(=O)(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000923742066 609502743 /nfs/dbraw/zinc/50/27/43/609502743.db2.gz XXOUYNMZYJMXNR-IYBDPMFKSA-N 1 3 325.478 0.917 20 0 ECADHO CCO[C@H](CNC(=O)NC[C@H](C)CN1CCN(C)CC1)C[NH+](C)C ZINC000920453358 609682940 /nfs/dbraw/zinc/68/29/40/609682940.db2.gz ZFESYVGIFSKALP-JKSUJKDBSA-N 1 3 343.516 0.136 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000938321128 609734650 /nfs/dbraw/zinc/73/46/50/609734650.db2.gz RIFYWAQZNHREDS-HNNXBMFYSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911054596 609795712 /nfs/dbraw/zinc/79/57/12/609795712.db2.gz IWQBJMKWUPJOPW-YJBOKZPZSA-N 1 3 336.480 0.722 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911077846 609801934 /nfs/dbraw/zinc/80/19/34/609801934.db2.gz IMZOVXRKQZRYTC-XOSAIJSUSA-N 1 3 344.459 0.716 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000938549391 609864135 /nfs/dbraw/zinc/86/41/35/609864135.db2.gz PUKQQHJSQVBMEZ-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000938549391 609864137 /nfs/dbraw/zinc/86/41/37/609864137.db2.gz PUKQQHJSQVBMEZ-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000911532469 609886542 /nfs/dbraw/zinc/88/65/42/609886542.db2.gz LVEVLLMGCLWSMG-RDTXWAMCSA-N 1 3 336.480 0.564 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)CC1=O ZINC000912600478 609972985 /nfs/dbraw/zinc/97/29/85/609972985.db2.gz MHUTXYYSJRKVNT-ILXRZTDVSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000938761700 609979556 /nfs/dbraw/zinc/97/95/56/609979556.db2.gz KGOTURLLKFPIQZ-HZPDHXFCSA-N 1 3 347.463 0.886 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000938761700 609979558 /nfs/dbraw/zinc/97/95/58/609979558.db2.gz KGOTURLLKFPIQZ-HZPDHXFCSA-N 1 3 347.463 0.886 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC000939502925 610219173 /nfs/dbraw/zinc/21/91/73/610219173.db2.gz GTCIQLWGMNZRNV-BZUAXINKSA-N 1 3 338.496 0.726 20 0 ECADHO C[C@H](O)CN1CC(N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC000941475706 610331987 /nfs/dbraw/zinc/33/19/87/610331987.db2.gz WMIQHHSCELIRRK-AWEZNQCLSA-N 1 3 343.431 0.157 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941566514 610386558 /nfs/dbraw/zinc/38/65/58/610386558.db2.gz FQJWPXWGJNOTIB-YJBOKZPZSA-N 1 3 334.508 0.813 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941566514 610386560 /nfs/dbraw/zinc/38/65/60/610386560.db2.gz FQJWPXWGJNOTIB-YJBOKZPZSA-N 1 3 334.508 0.813 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000941676072 610449053 /nfs/dbraw/zinc/44/90/53/610449053.db2.gz ZBLFZSFKEVIGKE-UHFFFAOYSA-N 1 3 331.420 0.109 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)CN2CCC[C@H]2C)C1)[NH+](C)C ZINC000942433869 610459301 /nfs/dbraw/zinc/45/93/01/610459301.db2.gz VOVGXONITPRFDC-INMHGKMJSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000941102931 610537767 /nfs/dbraw/zinc/53/77/67/610537767.db2.gz YHZFEPMRIAESQG-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000941102931 610537769 /nfs/dbraw/zinc/53/77/69/610537769.db2.gz YHZFEPMRIAESQG-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941103245 610537957 /nfs/dbraw/zinc/53/79/57/610537957.db2.gz QTXFBWJOKBZZKN-HOTGVXAUSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941103245 610537959 /nfs/dbraw/zinc/53/79/59/610537959.db2.gz QTXFBWJOKBZZKN-HOTGVXAUSA-N 1 3 336.480 0.341 20 0 ECADHO CN(CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC000941103211 610538386 /nfs/dbraw/zinc/53/83/86/610538386.db2.gz QHOLNYRJNBWKPC-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC000941103211 610538388 /nfs/dbraw/zinc/53/83/88/610538388.db2.gz QHOLNYRJNBWKPC-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942875432 610667067 /nfs/dbraw/zinc/66/70/67/610667067.db2.gz CCMJLOYZGCZYDV-MRXNPFEDSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000942244820 610717091 /nfs/dbraw/zinc/71/70/91/610717091.db2.gz BLCLUBKPZAMXSP-JONQDZQNSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC000942244820 610717092 /nfs/dbraw/zinc/71/70/92/610717092.db2.gz BLCLUBKPZAMXSP-JONQDZQNSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000943911059 611035813 /nfs/dbraw/zinc/03/58/13/611035813.db2.gz CSWNHZAJPSYSCH-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO CCOc1ccnc(N2CCCN(C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923390308 611236130 /nfs/dbraw/zinc/23/61/30/611236130.db2.gz WYAIEORWANXXJK-OAHLLOKOSA-N 1 3 347.463 0.766 20 0 ECADHO CC(C)COC[C@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397887 611238120 /nfs/dbraw/zinc/23/81/20/611238120.db2.gz FXOHRHXPFZSHCT-OAGGEKHMSA-N 1 3 341.452 0.277 20 0 ECADHO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500000 611251733 /nfs/dbraw/zinc/25/17/33/611251733.db2.gz TXDULSOTEZVHNW-KKUMJFAQSA-N 1 3 325.453 0.847 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851667330 611322882 /nfs/dbraw/zinc/32/28/82/611322882.db2.gz MDEQGZOTIRBFIS-CHWSQXEVSA-N 1 3 332.395 0.536 20 0 ECADHO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)S(=O)(=O)C1CNC1 ZINC000923644435 611335484 /nfs/dbraw/zinc/33/54/84/611335484.db2.gz KDUMIIQWFYSSKV-NSHDSACASA-N 1 3 330.479 0.165 20 0 ECADHO CO[C@@H]1CC[C@@H]1N(C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000934126734 611770632 /nfs/dbraw/zinc/77/06/32/611770632.db2.gz KYUCXJDIMGZULG-HRCADAONSA-N 1 3 327.469 0.569 20 0 ECADHO CO[C@@H]1CC[C@@H]1N(C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000934126734 611770634 /nfs/dbraw/zinc/77/06/34/611770634.db2.gz KYUCXJDIMGZULG-HRCADAONSA-N 1 3 327.469 0.569 20 0 ECADHO CN(CC(=O)N1CCOC2(CC[NH+](CCCO)CC2)C1)C1CCC1 ZINC000949115209 611859656 /nfs/dbraw/zinc/85/96/56/611859656.db2.gz VVKAYYHXIVWHNO-UHFFFAOYSA-N 1 3 339.480 0.547 20 0 ECADHO CC[C@H](C(=O)N1CCOC2(CC[NH+](CCOC)CC2)C1)N(C)C ZINC000949124301 611862940 /nfs/dbraw/zinc/86/29/40/611862940.db2.gz VOGHNDJNAQQJGE-OAHLLOKOSA-N 1 3 327.469 0.666 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC000950243731 611925900 /nfs/dbraw/zinc/92/59/00/611925900.db2.gz LNEXIPMUCXVABB-FVQBIDKESA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC000950243731 611925903 /nfs/dbraw/zinc/92/59/03/611925903.db2.gz LNEXIPMUCXVABB-FVQBIDKESA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC000950244342 611926081 /nfs/dbraw/zinc/92/60/81/611926081.db2.gz ZTOQIHRCYYXCHP-RBSFLKMASA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC000950244342 611926082 /nfs/dbraw/zinc/92/60/82/611926082.db2.gz ZTOQIHRCYYXCHP-RBSFLKMASA-N 1 3 336.480 0.528 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000954496295 612330489 /nfs/dbraw/zinc/33/04/89/612330489.db2.gz QEEVXHWLINJTTD-HZPDHXFCSA-N 1 3 338.496 0.870 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000954496295 612330493 /nfs/dbraw/zinc/33/04/93/612330493.db2.gz QEEVXHWLINJTTD-HZPDHXFCSA-N 1 3 338.496 0.870 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954502963 612339935 /nfs/dbraw/zinc/33/99/35/612339935.db2.gz DCUNGRMPBKJKBQ-MRXNPFEDSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)CN2CCC[C@@H]2C)C1)[NH+](C)C ZINC000955340622 612462492 /nfs/dbraw/zinc/46/24/92/612462492.db2.gz PQBGBKWNMGBRET-WMLDXEAASA-N 1 3 338.496 0.726 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000954665280 612512444 /nfs/dbraw/zinc/51/24/44/612512444.db2.gz JCWDBHOSXSBUQY-CQSZACIVSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000954096267 612655702 /nfs/dbraw/zinc/65/57/02/612655702.db2.gz LMEAZWLPXKGXFI-MRXNPFEDSA-N 1 3 348.491 0.626 20 0 ECADHO CN(CC(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000954834772 612728085 /nfs/dbraw/zinc/72/80/85/612728085.db2.gz HCMKOTZVHWETIN-CQSZACIVSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000954834772 612728086 /nfs/dbraw/zinc/72/80/86/612728086.db2.gz HCMKOTZVHWETIN-CQSZACIVSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000954973676 612829716 /nfs/dbraw/zinc/82/97/16/612829716.db2.gz XBLVKKZDBLZYGE-CQSZACIVSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000954973676 612829720 /nfs/dbraw/zinc/82/97/20/612829720.db2.gz XBLVKKZDBLZYGE-CQSZACIVSA-N 1 3 347.463 0.743 20 0 ECADHO O=C1CN(c2ccc(CN3CCCC3)cn2)CC2(CC[NH2+]CC2)N1 ZINC001164391247 718809670 /nfs/dbraw/zinc/80/96/70/718809670.db2.gz GPNQFAISDZRAEW-UHFFFAOYSA-N 1 3 329.448 0.736 20 0 ECADHO [NH3+]Cc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ncn1 ZINC001164740158 720665066 /nfs/dbraw/zinc/66/50/66/720665066.db2.gz QKQCEHZGHONUAK-UONOGXRCSA-N 1 3 327.392 0.067 20 0 ECADHO COCC[N@@H+]1CCO[C@H]2CN(c3ncc4c(n3)CCNC4)CC[C@H]2C1 ZINC001164849654 720841038 /nfs/dbraw/zinc/84/10/38/720841038.db2.gz CGEZIGZKYUMPJZ-YOEHRIQHSA-N 1 3 347.463 0.296 20 0 ECADHO COCC[N@H+]1CCO[C@H]2CN(c3ncc4c(n3)CCNC4)CC[C@H]2C1 ZINC001164849654 720841041 /nfs/dbraw/zinc/84/10/41/720841041.db2.gz CGEZIGZKYUMPJZ-YOEHRIQHSA-N 1 3 347.463 0.296 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041789967 782214172 /nfs/dbraw/zinc/21/41/72/782214172.db2.gz WOEWQRINVHETQE-WMLDXEAASA-N 1 3 334.464 0.271 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCCN2CCn2cncn2)C1 ZINC000969144799 731523678 /nfs/dbraw/zinc/52/36/78/731523678.db2.gz UGKGGAXORPLJSY-HOTGVXAUSA-N 1 3 334.468 0.591 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCCN2CCn2cncn2)C1 ZINC000969144799 731523679 /nfs/dbraw/zinc/52/36/79/731523679.db2.gz UGKGGAXORPLJSY-HOTGVXAUSA-N 1 3 334.468 0.591 20 0 ECADHO CN1CCC[C@H](N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC000969564285 731972255 /nfs/dbraw/zinc/97/22/55/731972255.db2.gz OUBQYDLZQUSRTM-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)N1CCCCC1 ZINC000969588134 731987970 /nfs/dbraw/zinc/98/79/70/731987970.db2.gz CTSOXFVHHYVRDP-ARFHVFGLSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)cc1 ZINC000969965568 732564443 /nfs/dbraw/zinc/56/44/43/732564443.db2.gz SVBYDMXHMNYIIV-IAGOWNOFSA-N 1 3 344.459 0.483 20 0 ECADHO COCCOCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426559 733002850 /nfs/dbraw/zinc/00/28/50/733002850.db2.gz OEFOXGBODADGBQ-GPANFISMSA-N 1 3 329.485 0.720 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)N(C)C)CC1)N(C)C ZINC001167261154 733104459 /nfs/dbraw/zinc/10/44/59/733104459.db2.gz XWNKOPMJYHSPNQ-KBPBESRZSA-N 1 3 326.485 0.679 20 0 ECADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC000970178714 733134714 /nfs/dbraw/zinc/13/47/14/733134714.db2.gz ZPTOVPMCJWXAQN-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1C[NH+](CCCF)C1 ZINC000970190054 733154177 /nfs/dbraw/zinc/15/41/77/733154177.db2.gz KRWCIBMQPHGXHD-XOSUWLCWSA-N 1 3 325.428 0.646 20 0 ECADHO O=C(N1CC[C@@H](N[C@H]2CCN(C3CCC3)C2=O)C1)C12CC[NH+](CC1)C2 ZINC000970494488 733613035 /nfs/dbraw/zinc/61/30/35/733613035.db2.gz RVUQAYLLPDBVDY-ZBFHGGJFSA-N 1 3 346.475 0.426 20 0 ECADHO CCn1nncc1CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001025160073 738738239 /nfs/dbraw/zinc/73/82/39/738738239.db2.gz XDFRADFJXAWXTD-LSDHHAIUSA-N 1 3 334.468 0.720 20 0 ECADHO CCn1nncc1CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001025160073 738738241 /nfs/dbraw/zinc/73/82/41/738738241.db2.gz XDFRADFJXAWXTD-LSDHHAIUSA-N 1 3 334.468 0.720 20 0 ECADHO CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001104288045 733733380 /nfs/dbraw/zinc/73/33/80/733733380.db2.gz ROXDMIOPGAMESK-RBSFLKMASA-N 1 3 338.496 0.809 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001067477667 734290705 /nfs/dbraw/zinc/29/07/05/734290705.db2.gz HUFKARDSUJIPQC-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362845 734720298 /nfs/dbraw/zinc/72/02/98/734720298.db2.gz MRGOGSLAGFGGJG-HUUCEWRRSA-N 1 3 340.512 0.927 20 0 ECADHO O=C(CN1CCCC1)N1CCC([N@H+](CCO)CCn2cccn2)CC1 ZINC001098562644 735587153 /nfs/dbraw/zinc/58/71/53/735587153.db2.gz ZZNIDWLPLFLPMV-UHFFFAOYSA-N 1 3 349.479 0.264 20 0 ECADHO O=C(CN1CCCC1)N1CCC([N@@H+](CCO)CCn2cccn2)CC1 ZINC001098562644 735587157 /nfs/dbraw/zinc/58/71/57/735587157.db2.gz ZZNIDWLPLFLPMV-UHFFFAOYSA-N 1 3 349.479 0.264 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC000972189592 735768340 /nfs/dbraw/zinc/76/83/40/735768340.db2.gz SFYCNBGKWJXRDI-LSDHHAIUSA-N 1 3 348.447 0.766 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC000972189592 735768341 /nfs/dbraw/zinc/76/83/41/735768341.db2.gz SFYCNBGKWJXRDI-LSDHHAIUSA-N 1 3 348.447 0.766 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNCc2cnnn2C)C1 ZINC001087212435 735805757 /nfs/dbraw/zinc/80/57/57/735805757.db2.gz BSZKITHLKHBEBU-OAGGEKHMSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNCc2cnnn2C)C1 ZINC001087212435 735805764 /nfs/dbraw/zinc/80/57/64/735805764.db2.gz BSZKITHLKHBEBU-OAGGEKHMSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)CCN2CCCC2=O)C1 ZINC000972330102 735952804 /nfs/dbraw/zinc/95/28/04/735952804.db2.gz DNPFBBCIPUHXAU-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)CCN2CCCC2=O)C1 ZINC000972330102 735952807 /nfs/dbraw/zinc/95/28/07/735952807.db2.gz DNPFBBCIPUHXAU-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccnn2C)C1 ZINC000972330323 735955467 /nfs/dbraw/zinc/95/54/67/735955467.db2.gz DYXNSRSIOHZWDC-DOTOQJQBSA-N 1 3 333.480 0.980 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC000972330323 735955471 /nfs/dbraw/zinc/95/54/71/735955471.db2.gz DYXNSRSIOHZWDC-DOTOQJQBSA-N 1 3 333.480 0.980 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022975570 736345035 /nfs/dbraw/zinc/34/50/35/736345035.db2.gz OQPSZVMOVDWEPT-BYNSBNAKSA-N 1 3 334.468 0.672 20 0 ECADHO COc1ccnc(CN[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001022980492 736353263 /nfs/dbraw/zinc/35/32/63/736353263.db2.gz XJMQSYDZMAGVLP-OKILXGFUSA-N 1 3 330.432 0.923 20 0 ECADHO COc1cccc(CN[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001022981183 736356655 /nfs/dbraw/zinc/35/66/55/736356655.db2.gz CJVJKCOMVUNTHK-GASCZTMLSA-N 1 3 330.432 0.923 20 0 ECADHO C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CN[C@H]2CCNC2=O)C1 ZINC001087236716 736491436 /nfs/dbraw/zinc/49/14/36/736491436.db2.gz IMSBZOSKNHGSMI-ILXRZTDVSA-N 1 3 334.464 0.187 20 0 ECADHO CN(C)C(=O)CN1CCC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023469470 736880849 /nfs/dbraw/zinc/88/08/49/736880849.db2.gz FBTMZCQOZYBHDX-AWEZNQCLSA-N 1 3 343.431 0.864 20 0 ECADHO CN(C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023469470 736880850 /nfs/dbraw/zinc/88/08/50/736880850.db2.gz FBTMZCQOZYBHDX-AWEZNQCLSA-N 1 3 343.431 0.864 20 0 ECADHO CN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023469470 736880853 /nfs/dbraw/zinc/88/08/53/736880853.db2.gz FBTMZCQOZYBHDX-AWEZNQCLSA-N 1 3 343.431 0.864 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)CN1CCCC1 ZINC001067466849 737631367 /nfs/dbraw/zinc/63/13/67/737631367.db2.gz IERCZLJEWWMRTR-QGZVFWFLSA-N 1 3 338.496 0.729 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001024157315 737788418 /nfs/dbraw/zinc/78/84/18/737788418.db2.gz ZBIGRQRUQVCYNL-HZPDHXFCSA-N 1 3 348.495 0.968 20 0 ECADHO Cn1ccc(C[NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC001024177592 737799509 /nfs/dbraw/zinc/79/95/09/737799509.db2.gz RZRXUGNADDRZET-OAHLLOKOSA-N 1 3 343.431 0.679 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001078228652 782526417 /nfs/dbraw/zinc/52/64/17/782526417.db2.gz ZCWBYXLOZHWXMX-BMGDILEWSA-N 1 3 347.459 0.560 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001078228652 782526426 /nfs/dbraw/zinc/52/64/26/782526426.db2.gz ZCWBYXLOZHWXMX-BMGDILEWSA-N 1 3 347.459 0.560 20 0 ECADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNCc1cnnn1C ZINC001104599782 739178797 /nfs/dbraw/zinc/17/87/97/739178797.db2.gz DOLLCNKRIMNNBY-HUUCEWRRSA-N 1 3 336.484 0.731 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676308 739457364 /nfs/dbraw/zinc/45/73/64/739457364.db2.gz DQNPHALOSPGNQN-OWCLPIDISA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCN1C)[NH+](C)C ZINC001078233588 782532804 /nfs/dbraw/zinc/53/28/04/782532804.db2.gz KOSSADZGZCGIQT-SOUVJXGZSA-N 1 3 326.485 0.678 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026043389 740334498 /nfs/dbraw/zinc/33/44/98/740334498.db2.gz OWMJRSGJLJIUSP-DEQQHWRFSA-N 1 3 334.464 0.138 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1=O ZINC001026043389 740334503 /nfs/dbraw/zinc/33/45/03/740334503.db2.gz OWMJRSGJLJIUSP-DEQQHWRFSA-N 1 3 334.464 0.138 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026088647 740363043 /nfs/dbraw/zinc/36/30/43/740363043.db2.gz INXMOTKRWGXOBA-ALYAQQCSSA-N 1 3 348.491 0.574 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026088647 740363051 /nfs/dbraw/zinc/36/30/51/740363051.db2.gz INXMOTKRWGXOBA-ALYAQQCSSA-N 1 3 348.491 0.574 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001104936524 740969500 /nfs/dbraw/zinc/96/95/00/740969500.db2.gz YAZDXIFXYHKBHI-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@H]([NH2+]CCn3cncn3)[C@@H]2C1 ZINC001026366219 741068746 /nfs/dbraw/zinc/06/87/46/741068746.db2.gz IBZZUEQZWZQZCX-CFVMTHIKSA-N 1 3 329.408 0.071 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000974185032 741069051 /nfs/dbraw/zinc/06/90/51/741069051.db2.gz AKNKUAVHGMDRIU-ZVDSWSACSA-N 1 3 336.480 0.432 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000974185032 741069055 /nfs/dbraw/zinc/06/90/55/741069055.db2.gz AKNKUAVHGMDRIU-ZVDSWSACSA-N 1 3 336.480 0.432 20 0 ECADHO C[C@@H](O)CN1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974591699 741926965 /nfs/dbraw/zinc/92/69/65/741926965.db2.gz DVJDEEFCHJDESY-HIFRSBDPSA-N 1 3 337.468 0.266 20 0 ECADHO CCn1c(C)nnc1CNC[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001026886597 742042659 /nfs/dbraw/zinc/04/26/59/742042659.db2.gz BEVRGUKHLRJRKU-RHSMWYFYSA-N 1 3 348.495 0.885 20 0 ECADHO COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)ccn1 ZINC001027091604 742525814 /nfs/dbraw/zinc/52/58/14/742525814.db2.gz QGJFSXQTRQWTTN-AWEZNQCLSA-N 1 3 329.404 0.994 20 0 ECADHO CCN1CC[C@H](N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028931359 742891610 /nfs/dbraw/zinc/89/16/10/742891610.db2.gz PAQQKQMCYIOPTH-GJZGRUSLSA-N 1 3 334.464 0.141 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)n1 ZINC000996995857 743107634 /nfs/dbraw/zinc/10/76/34/743107634.db2.gz RYYUKJOSKSQKQE-CQSZACIVSA-N 1 3 348.495 0.960 20 0 ECADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1=O ZINC000997008786 743123270 /nfs/dbraw/zinc/12/32/70/743123270.db2.gz XEEWSGHGKJTTJU-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](NC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000997008463 743123612 /nfs/dbraw/zinc/12/36/12/743123612.db2.gz UVJHRCGJRPWZBF-UONOGXRCSA-N 1 3 334.468 0.799 20 0 ECADHO C[C@@H](NC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000997008463 743123616 /nfs/dbraw/zinc/12/36/16/743123616.db2.gz UVJHRCGJRPWZBF-UONOGXRCSA-N 1 3 334.468 0.799 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997011513 743127659 /nfs/dbraw/zinc/12/76/59/743127659.db2.gz VZKAUFGMWAVMQM-XJKSGUPXSA-N 1 3 347.463 0.764 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997011513 743127668 /nfs/dbraw/zinc/12/76/68/743127668.db2.gz VZKAUFGMWAVMQM-XJKSGUPXSA-N 1 3 347.463 0.764 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000997368733 743540385 /nfs/dbraw/zinc/54/03/85/743540385.db2.gz UFKKOMJDGBDFHZ-INIZCTEOSA-N 1 3 334.468 0.770 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000998081295 743966651 /nfs/dbraw/zinc/96/66/51/743966651.db2.gz INKOFDFXWHIOSE-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]21 ZINC000976656269 744170490 /nfs/dbraw/zinc/17/04/90/744170490.db2.gz IOCOYOMRDFWSHG-JJTUDDRGSA-N 1 3 348.491 0.528 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]21 ZINC000976656269 744170492 /nfs/dbraw/zinc/17/04/92/744170492.db2.gz IOCOYOMRDFWSHG-JJTUDDRGSA-N 1 3 348.491 0.528 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000998762869 744319598 /nfs/dbraw/zinc/31/95/98/744319598.db2.gz IVJZPIKGCCLUTH-XUJLQICISA-N 1 3 334.468 0.767 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000998762869 744319602 /nfs/dbraw/zinc/31/96/02/744319602.db2.gz IVJZPIKGCCLUTH-XUJLQICISA-N 1 3 334.468 0.767 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000976866432 744420082 /nfs/dbraw/zinc/42/00/82/744420082.db2.gz CBAAIIPREZKLEN-LCEIHVTHSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000976866432 744420084 /nfs/dbraw/zinc/42/00/84/744420084.db2.gz CBAAIIPREZKLEN-LCEIHVTHSA-N 1 3 348.491 0.386 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC000999145294 744534588 /nfs/dbraw/zinc/53/45/88/744534588.db2.gz QHRRBWYJNDOOGL-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC000999145294 744534590 /nfs/dbraw/zinc/53/45/90/744534590.db2.gz QHRRBWYJNDOOGL-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]32)CC[N@@H+]1C ZINC000977026743 744580186 /nfs/dbraw/zinc/58/01/86/744580186.db2.gz RJTMNCAOAYITLP-OVYBAWALSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]32)CC[N@H+]1C ZINC000977026743 744580189 /nfs/dbraw/zinc/58/01/89/744580189.db2.gz RJTMNCAOAYITLP-OVYBAWALSA-N 1 3 348.491 0.384 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CCN2CCCC2=O)CC1 ZINC001167901754 751935863 /nfs/dbraw/zinc/93/58/63/751935863.db2.gz YZOVRMJNPGILNF-UHFFFAOYSA-N 1 3 347.463 0.759 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000999406631 744680647 /nfs/dbraw/zinc/68/06/47/744680647.db2.gz ORHSHQRGCWGDEG-NFOMZHRRSA-N 1 3 337.468 0.075 20 0 ECADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999407720 744680914 /nfs/dbraw/zinc/68/09/14/744680914.db2.gz FCSWVTKWPUSJPC-ZEPSKSRBSA-N 1 3 328.432 0.263 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC000999425502 744691735 /nfs/dbraw/zinc/69/17/35/744691735.db2.gz ULKFTLYZFXKHJA-WBVHZDCISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000977196535 744748333 /nfs/dbraw/zinc/74/83/33/744748333.db2.gz MOCKHGQOMZDFIV-AIANPOQGSA-N 1 3 346.475 0.140 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1 ZINC000977196624 744748594 /nfs/dbraw/zinc/74/85/94/744748594.db2.gz NQQCQTCNYKEJIV-XHWCBRGXSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)C1 ZINC000977196624 744748596 /nfs/dbraw/zinc/74/85/96/744748596.db2.gz NQQCQTCNYKEJIV-XHWCBRGXSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)C1 ZINC000977212089 744790446 /nfs/dbraw/zinc/79/04/46/744790446.db2.gz WXMVOUCYLNKCFB-DNBIXMRYSA-N 1 3 348.491 0.241 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000999832255 744927840 /nfs/dbraw/zinc/92/78/40/744927840.db2.gz BKNZNZCBUAZPDF-NFOMZHRRSA-N 1 3 343.493 0.096 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999849252 744942511 /nfs/dbraw/zinc/94/25/11/744942511.db2.gz RFSOHTURSMVXOD-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999849252 744942514 /nfs/dbraw/zinc/94/25/14/744942514.db2.gz RFSOHTURSMVXOD-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000999880335 744992033 /nfs/dbraw/zinc/99/20/33/744992033.db2.gz ZTNMFDQFGBCQDZ-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000999880335 744992037 /nfs/dbraw/zinc/99/20/37/744992037.db2.gz ZTNMFDQFGBCQDZ-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000983693183 745068676 /nfs/dbraw/zinc/06/86/76/745068676.db2.gz SAFCGZDNMXDXIB-JQFCIGGWSA-N 1 3 331.464 0.746 20 0 ECADHO Cn1cncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000983716515 745093599 /nfs/dbraw/zinc/09/35/99/745093599.db2.gz PNOXPROZUNAKQR-KCYZZUKISA-N 1 3 347.463 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C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000977813889 745515584 /nfs/dbraw/zinc/51/55/84/745515584.db2.gz FYJUOLZDRWASGH-VHDGCEQUSA-N 1 3 333.436 0.352 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000977813889 745515588 /nfs/dbraw/zinc/51/55/88/745515588.db2.gz FYJUOLZDRWASGH-VHDGCEQUSA-N 1 3 333.436 0.352 20 0 ECADHO O=C(NCC1=CCN(CCn2cccn2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001000707095 745712764 /nfs/dbraw/zinc/71/27/64/745712764.db2.gz BTGASIOYRCVXEB-GOSISDBHSA-N 1 3 343.475 0.973 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)[C@@H]1CCCN1C)C(=O)C12CCC[NH+]1CCC2 ZINC000978029898 745831080 /nfs/dbraw/zinc/83/10/80/745831080.db2.gz DNJYBTFUAVISCO-HOTGVXAUSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)C12CC[NH+](CC1)C2 ZINC000978074199 745882594 /nfs/dbraw/zinc/88/25/94/745882594.db2.gz YFSYGXKMVNWUGU-AWEZNQCLSA-N 1 3 331.420 0.107 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1CCn1cncn1 ZINC001087574588 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0.578 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000983304398 755111476 /nfs/dbraw/zinc/11/14/76/755111476.db2.gz OTFCULJZGFJTLV-JKSUJKDBSA-N 1 3 348.491 0.389 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983366414 755416034 /nfs/dbraw/zinc/41/60/34/755416034.db2.gz YNJCIDWCWQHHIE-ZDUSSCGKSA-N 1 3 331.420 0.013 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001030021675 755736632 /nfs/dbraw/zinc/73/66/32/755736632.db2.gz XZINKSLOXLHUEY-KKUMJFAQSA-N 1 3 334.468 0.686 20 0 ECADHO CN1CC[C@@H](N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076204074 756209248 /nfs/dbraw/zinc/20/92/48/756209248.db2.gz QGUBUBNPJFIJNR-ARFHVFGLSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001076241196 756252272 /nfs/dbraw/zinc/25/22/72/756252272.db2.gz GOYCPZWWAPFKAC-XYJFISCASA-N 1 3 345.491 0.980 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001076241196 756252277 /nfs/dbraw/zinc/25/22/77/756252277.db2.gz GOYCPZWWAPFKAC-XYJFISCASA-N 1 3 345.491 0.980 20 0 ECADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076567613 756666264 /nfs/dbraw/zinc/66/62/64/756666264.db2.gz BSQNEQTZRRQBGL-YESZJQIVSA-N 1 3 346.479 0.379 20 0 ECADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076567613 756666268 /nfs/dbraw/zinc/66/62/68/756666268.db2.gz BSQNEQTZRRQBGL-YESZJQIVSA-N 1 3 346.479 0.379 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001076658031 756797447 /nfs/dbraw/zinc/79/74/47/756797447.db2.gz BRICVUUWFWNKAH-GOEBONIOSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001076658273 756798252 /nfs/dbraw/zinc/79/82/52/756798252.db2.gz PBUCKTKVQVTLRH-NUEKZKHPSA-N 1 3 338.496 0.679 20 0 ECADHO CN1CC[C@H](N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)C1=O ZINC000996222680 757139440 /nfs/dbraw/zinc/13/94/40/757139440.db2.gz ORECWCCYCTZJMK-LSDHHAIUSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1)N(C)C ZINC000996250789 757177380 /nfs/dbraw/zinc/17/73/80/757177380.db2.gz YBZNJBLUTFUTNZ-HUUCEWRRSA-N 1 3 336.484 0.691 20 0 ECADHO Cn1cncc1CN1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001048864435 757220866 /nfs/dbraw/zinc/22/08/66/757220866.db2.gz ZBZLNXPSGVUZCB-UXLLHSPISA-N 1 3 331.464 0.651 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2C1)C1CCC1 ZINC001048864951 757223472 /nfs/dbraw/zinc/22/34/72/757223472.db2.gz RQNXQZPYFGAQQU-IYBDPMFKSA-N 1 3 345.491 0.837 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2C1)C1CCC1 ZINC001048864951 757223475 /nfs/dbraw/zinc/22/34/75/757223475.db2.gz RQNXQZPYFGAQQU-IYBDPMFKSA-N 1 3 345.491 0.837 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001048885565 757299682 /nfs/dbraw/zinc/29/96/82/757299682.db2.gz YZCPBQGPAKYYAX-OWCLPIDISA-N 1 3 348.491 0.517 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1)N(C)C ZINC001011256153 757305430 /nfs/dbraw/zinc/30/54/30/757305430.db2.gz CXHABEVCLUCHKX-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1)N(C)C ZINC001011256153 757305438 /nfs/dbraw/zinc/30/54/38/757305438.db2.gz CXHABEVCLUCHKX-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001011263271 757326905 /nfs/dbraw/zinc/32/69/05/757326905.db2.gz GPLNTHDILCDLGS-INIZCTEOSA-N 1 3 347.463 0.886 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001011263271 757326915 /nfs/dbraw/zinc/32/69/15/757326915.db2.gz GPLNTHDILCDLGS-INIZCTEOSA-N 1 3 347.463 0.886 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CCC1 ZINC000996315856 757350684 /nfs/dbraw/zinc/35/06/84/757350684.db2.gz WGTHNGJRUUJGRG-INIZCTEOSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996316197 757351563 /nfs/dbraw/zinc/35/15/63/757351563.db2.gz ZHVNDSWIQRKYAR-RDTXWAMCSA-N 1 3 348.491 0.672 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001048918801 757408550 /nfs/dbraw/zinc/40/85/50/757408550.db2.gz MEIQRDTTYPCBCB-ZNMIVQPWSA-N 1 3 334.464 0.269 20 0 ECADHO CN(C)c1ccncc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001021439701 757447098 /nfs/dbraw/zinc/44/70/98/757447098.db2.gz VDSSSAVENLNZRG-YHWZYXNKSA-N 1 3 331.420 0.358 20 0 ECADHO CN(C)c1ccncc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001021439701 757447103 /nfs/dbraw/zinc/44/71/03/757447103.db2.gz VDSSSAVENLNZRG-YHWZYXNKSA-N 1 3 331.420 0.358 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCCNC1=O ZINC001021448493 757459318 /nfs/dbraw/zinc/45/93/18/757459318.db2.gz QEGYZCCAFLXQLV-HUORLRHWSA-N 1 3 345.447 0.651 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001021448493 757459323 /nfs/dbraw/zinc/45/93/23/757459323.db2.gz QEGYZCCAFLXQLV-HUORLRHWSA-N 1 3 345.447 0.651 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001048943423 757478290 /nfs/dbraw/zinc/47/82/90/757478290.db2.gz CJXKAVWXGDFRHE-SYGRHNPNSA-N 1 3 337.439 0.599 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001048943423 757478293 /nfs/dbraw/zinc/47/82/93/757478293.db2.gz CJXKAVWXGDFRHE-SYGRHNPNSA-N 1 3 337.439 0.599 20 0 ECADHO CC1CCN(CC(=O)N2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000996442919 757612467 /nfs/dbraw/zinc/61/24/67/757612467.db2.gz QAAIXWJTXDRJGE-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000996442919 757612472 /nfs/dbraw/zinc/61/24/72/757612472.db2.gz QAAIXWJTXDRJGE-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001076925460 757621279 /nfs/dbraw/zinc/62/12/79/757621279.db2.gz LGZQXQAEDQIBKW-RRFJBIMHSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076925460 757621283 /nfs/dbraw/zinc/62/12/83/757621283.db2.gz LGZQXQAEDQIBKW-RRFJBIMHSA-N 1 3 326.485 0.678 20 0 ECADHO C[C@@H](CCNC(=O)[C@H](C1CC1)N(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001076955866 757740893 /nfs/dbraw/zinc/74/08/93/757740893.db2.gz CEBJNPCLTITWAF-BBRMVZONSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049058355 757811426 /nfs/dbraw/zinc/81/14/26/757811426.db2.gz XJLLFCMJTWRNPH-WCVJEAGWSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049058355 757811438 /nfs/dbraw/zinc/81/14/38/757811438.db2.gz XJLLFCMJTWRNPH-WCVJEAGWSA-N 1 3 334.464 0.140 20 0 ECADHO CN(CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2)C1CCC1 ZINC000996548309 757987554 /nfs/dbraw/zinc/98/75/54/757987554.db2.gz LQTMKJSKAYDZCO-SIXLDLHFSA-N 1 3 348.491 0.671 20 0 ECADHO CN(CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2)C1CCC1 ZINC000996548309 757987563 /nfs/dbraw/zinc/98/75/63/757987563.db2.gz LQTMKJSKAYDZCO-SIXLDLHFSA-N 1 3 348.491 0.671 20 0 ECADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1)C1CCC1 ZINC001051654328 762601696 /nfs/dbraw/zinc/60/16/96/762601696.db2.gz LJPLQPZGSJELMI-KRWDZBQOSA-N 1 3 332.448 0.883 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CCO[C@H](CNCc2ccccn2)C1)C1CC1 ZINC001051654511 762602299 /nfs/dbraw/zinc/60/22/99/762602299.db2.gz OPKFBDXQAKCXBZ-IAGOWNOFSA-N 1 3 332.448 0.739 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CCO[C@@H](CNCc2ccns2)C1)C1CC1 ZINC001051654680 762603633 /nfs/dbraw/zinc/60/36/33/762603633.db2.gz QUGATQQZLVKTBG-ZFWWWQNUSA-N 1 3 338.477 0.800 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022088938 758260142 /nfs/dbraw/zinc/26/01/42/758260142.db2.gz AJYZUACJWRNDFE-OWCLPIDISA-N 1 3 329.448 0.864 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccns2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001022121120 758304721 /nfs/dbraw/zinc/30/47/21/758304721.db2.gz YIMOEUVVXJQSIT-COMQUAJESA-N 1 3 336.461 0.743 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccns2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001022121120 758304731 /nfs/dbraw/zinc/30/47/31/758304731.db2.gz YIMOEUVVXJQSIT-COMQUAJESA-N 1 3 336.461 0.743 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001022212991 758431678 /nfs/dbraw/zinc/43/16/78/758431678.db2.gz WFWQMUAEIUKVID-IJEWVQPXSA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001022212991 758431679 /nfs/dbraw/zinc/43/16/79/758431679.db2.gz WFWQMUAEIUKVID-IJEWVQPXSA-N 1 3 345.447 0.353 20 0 ECADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001060319878 762633243 /nfs/dbraw/zinc/63/32/43/762633243.db2.gz GVQQMQFBNCBRLD-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001022278427 758516737 /nfs/dbraw/zinc/51/67/37/758516737.db2.gz NMHVPRDAFYZCHN-KNCOVGOOSA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001022278427 758516744 /nfs/dbraw/zinc/51/67/44/758516744.db2.gz NMHVPRDAFYZCHN-KNCOVGOOSA-N 1 3 332.452 0.569 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060320063 762636115 /nfs/dbraw/zinc/63/61/15/762636115.db2.gz KXZUGWGQBFWWFT-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO O=C(NCCNCc1ccnc(Cl)c1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779184 758644465 /nfs/dbraw/zinc/64/44/65/758644465.db2.gz JUDJMQWVTDLDHJ-KBPBESRZSA-N 1 3 338.839 0.804 20 0 ECADHO O=C(NCCNCc1ccnc(Cl)c1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779184 758644466 /nfs/dbraw/zinc/64/44/66/758644466.db2.gz JUDJMQWVTDLDHJ-KBPBESRZSA-N 1 3 338.839 0.804 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC001022712594 759025143 /nfs/dbraw/zinc/02/51/43/759025143.db2.gz VCNGFFWSNQPNQH-CAOSSQGBSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCn2cncn2)C1 ZINC001049719275 759127356 /nfs/dbraw/zinc/12/73/56/759127356.db2.gz LMNBTJTVWMTUSN-IXDOHACOSA-N 1 3 346.479 0.685 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCn2cncn2)C1 ZINC001049719275 759127359 /nfs/dbraw/zinc/12/73/59/759127359.db2.gz LMNBTJTVWMTUSN-IXDOHACOSA-N 1 3 346.479 0.685 20 0 ECADHO C[C@@H](C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1)[NH+]1CCCCCC1 ZINC001022807465 759130365 /nfs/dbraw/zinc/13/03/65/759130365.db2.gz HIMZHNWGJDVLET-SOUVJXGZSA-N 1 3 334.468 0.816 20 0 ECADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C)C(N)=O ZINC001107034104 759370058 /nfs/dbraw/zinc/37/00/58/759370058.db2.gz JICLFQZUOBALMI-IJEWVQPXSA-N 1 3 346.475 0.920 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(C[C@@H](O)Cc3ccccc3)C2)C1 ZINC001032183063 759377882 /nfs/dbraw/zinc/37/78/82/759377882.db2.gz YXZHVQPXHLWBPF-ROUUACIJSA-N 1 3 331.460 0.590 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(C[C@@H](O)Cc3ccccc3)C2)C1 ZINC001032183063 759377894 /nfs/dbraw/zinc/37/78/94/759377894.db2.gz YXZHVQPXHLWBPF-ROUUACIJSA-N 1 3 331.460 0.590 20 0 ECADHO C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)Cc1c[nH]cn1 ZINC001012099353 759405409 /nfs/dbraw/zinc/40/54/09/759405409.db2.gz DYQYDIWXDKUWJJ-GXTWGEPZSA-N 1 3 331.420 0.154 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001107038761 759488328 /nfs/dbraw/zinc/48/83/28/759488328.db2.gz GDTBCMCYQXKPLO-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)CC[N@@H+]1C ZINC001050048889 759615368 /nfs/dbraw/zinc/61/53/68/759615368.db2.gz AHIFBJCNWUJPSO-YYIAUSFCSA-N 1 3 346.479 0.541 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)CC[N@H+]1C ZINC001050048889 759615380 /nfs/dbraw/zinc/61/53/80/759615380.db2.gz AHIFBJCNWUJPSO-YYIAUSFCSA-N 1 3 346.479 0.541 20 0 ECADHO C[C@H](NCc1nncn1C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048040309 759870671 /nfs/dbraw/zinc/87/06/71/759870671.db2.gz SBBNUXZWYJDJGX-KBPBESRZSA-N 1 3 332.452 0.238 20 0 ECADHO CN(CC(=O)N1CC[C@@H](CC[NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001050222476 759969782 /nfs/dbraw/zinc/96/97/82/759969782.db2.gz LVGCRTSTYSQZNA-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001050224774 759977554 /nfs/dbraw/zinc/97/75/54/759977554.db2.gz UZDIZSMBKSNPSL-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](CC[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001050232733 760005406 /nfs/dbraw/zinc/00/54/06/760005406.db2.gz DAEAQVNMVGVOEM-HZPDHXFCSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2ncnn2C)CC1 ZINC001050366186 760186759 /nfs/dbraw/zinc/18/67/59/760186759.db2.gz QKVKYYGOVRQCDS-VGWMRTNUSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2ncnn2C)CC1 ZINC001050366186 760186764 /nfs/dbraw/zinc/18/67/64/760186764.db2.gz QKVKYYGOVRQCDS-VGWMRTNUSA-N 1 3 348.495 0.777 20 0 ECADHO Cc1nnc(CNC[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001050391028 760220129 /nfs/dbraw/zinc/22/01/29/760220129.db2.gz YJARRTRCGDGLNQ-KKUMJFAQSA-N 1 3 334.468 0.829 20 0 ECADHO Cc1nnc(CNC[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001050391028 760220134 /nfs/dbraw/zinc/22/01/34/760220134.db2.gz YJARRTRCGDGLNQ-KKUMJFAQSA-N 1 3 334.468 0.829 20 0 ECADHO C[C@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001050461712 760303298 /nfs/dbraw/zinc/30/32/98/760303298.db2.gz IEAYDZHWALKSNG-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCN(C)C1=O)CC2 ZINC001050462058 760304499 /nfs/dbraw/zinc/30/44/99/760304499.db2.gz OJCJOLDIUNTMAG-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNCc1nccn1C ZINC001048365295 760379066 /nfs/dbraw/zinc/37/90/66/760379066.db2.gz DSMKNVYPQRPSNX-ZBFHGGJFSA-N 1 3 333.480 0.946 20 0 ECADHO CN1CC[C@H](N2CCC3(CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C3)CC2)C1=O ZINC001050542220 760461173 /nfs/dbraw/zinc/46/11/73/760461173.db2.gz APHITFLOFOCANF-JKSUJKDBSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNCc1ccn(C)n1 ZINC001048442154 760537478 /nfs/dbraw/zinc/53/74/78/760537478.db2.gz ULXAYXJXZXGCOO-CABCVRRESA-N 1 3 331.464 0.700 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050663102 760638686 /nfs/dbraw/zinc/63/86/86/760638686.db2.gz QRLPXIHXFUXPJC-GJZGRUSLSA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050663102 760638691 /nfs/dbraw/zinc/63/86/91/760638691.db2.gz QRLPXIHXFUXPJC-GJZGRUSLSA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663368 760639706 /nfs/dbraw/zinc/63/97/06/760639706.db2.gz RVFIOGZVAUABJI-GJZGRUSLSA-N 1 3 336.480 0.659 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663368 760639709 /nfs/dbraw/zinc/63/97/09/760639709.db2.gz RVFIOGZVAUABJI-GJZGRUSLSA-N 1 3 336.480 0.659 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC(F)(F)F ZINC001127066088 760685316 /nfs/dbraw/zinc/68/53/16/760685316.db2.gz JDXDSGBYUDCLAV-LLVKDONJSA-N 1 3 338.374 0.244 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC(F)(F)F ZINC001127066088 760685321 /nfs/dbraw/zinc/68/53/21/760685321.db2.gz JDXDSGBYUDCLAV-LLVKDONJSA-N 1 3 338.374 0.244 20 0 ECADHO C[C@@H]([NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C)C(N)=O ZINC000995819413 760686376 /nfs/dbraw/zinc/68/63/76/760686376.db2.gz DBPZMBQNLJXYBM-KGLIPLIRSA-N 1 3 338.496 0.951 20 0 ECADHO CC1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1NCC(N)=O ZINC000995921852 760781397 /nfs/dbraw/zinc/78/13/97/760781397.db2.gz YVFPRRBQNMFFHJ-HUUCEWRRSA-N 1 3 336.480 0.705 20 0 ECADHO CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1NCC(N)=O ZINC000995921852 760781404 /nfs/dbraw/zinc/78/14/04/760781404.db2.gz YVFPRRBQNMFFHJ-HUUCEWRRSA-N 1 3 336.480 0.705 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1)N(C)C ZINC000991414967 760804063 /nfs/dbraw/zinc/80/40/63/760804063.db2.gz QEKHXJHIMUXNGE-HOCLYGCPSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1)N(C)C ZINC000991414971 760804243 /nfs/dbraw/zinc/80/42/43/760804243.db2.gz QEKHXJHIMUXNGE-ZBFHGGJFSA-N 1 3 338.496 0.918 20 0 ECADHO CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1N[C@@H]1CCNC1=O ZINC000995964869 760850562 /nfs/dbraw/zinc/85/05/62/760850562.db2.gz HKRZKJJTMWMYNI-CABCVRRESA-N 1 3 348.491 0.578 20 0 ECADHO C[C@@H](C(=O)NC1CN(C(=O)CN2CCCC2)C1)[NH+]1CCCCCC1 ZINC000991422959 760862354 /nfs/dbraw/zinc/86/23/54/760862354.db2.gz FPYPMRVOGYMRBG-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127081935 761015654 /nfs/dbraw/zinc/01/56/54/761015654.db2.gz GROQDAUEBJMNQR-HUUCEWRRSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127081935 761015665 /nfs/dbraw/zinc/01/56/65/761015665.db2.gz GROQDAUEBJMNQR-HUUCEWRRSA-N 1 3 326.485 0.726 20 0 ECADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082540 761021824 /nfs/dbraw/zinc/02/18/24/761021824.db2.gz UJKDFQYZZZJUFD-OAHLLOKOSA-N 1 3 326.485 0.870 20 0 ECADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082540 761021838 /nfs/dbraw/zinc/02/18/38/761021838.db2.gz UJKDFQYZZZJUFD-OAHLLOKOSA-N 1 3 326.485 0.870 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001017459902 768005815 /nfs/dbraw/zinc/00/58/15/768005815.db2.gz PSIBFGMYVOQJGS-JKSUJKDBSA-N 1 3 334.464 0.307 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001017459902 768005821 /nfs/dbraw/zinc/00/58/21/768005821.db2.gz PSIBFGMYVOQJGS-JKSUJKDBSA-N 1 3 334.464 0.307 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001051314490 761875431 /nfs/dbraw/zinc/87/54/31/761875431.db2.gz NOYDECWNBMXTGP-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001051751069 762874385 /nfs/dbraw/zinc/87/43/85/762874385.db2.gz SYEUZOJGVVOSCP-MRXNPFEDSA-N 1 3 349.479 0.612 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](CNCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001051786983 762957652 /nfs/dbraw/zinc/95/76/52/762957652.db2.gz IWIHHOWEMXVACI-BHYGNILZSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](CNCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001051786983 762957657 /nfs/dbraw/zinc/95/76/57/762957657.db2.gz IWIHHOWEMXVACI-BHYGNILZSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001051825360 763055776 /nfs/dbraw/zinc/05/57/76/763055776.db2.gz SBYSBYMQJYEUKN-DOTOQJQBSA-N 1 3 339.480 0.714 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CCO1 ZINC001051825914 763058726 /nfs/dbraw/zinc/05/87/26/763058726.db2.gz XMZIAIILNXECNS-RHSMWYFYSA-N 1 3 349.479 0.387 20 0 ECADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccccc1 ZINC001127660458 763150743 /nfs/dbraw/zinc/15/07/43/763150743.db2.gz XCSHGWOKRQDSTI-ZMSDIMECSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccccc1 ZINC001127660458 763150747 /nfs/dbraw/zinc/15/07/47/763150747.db2.gz XCSHGWOKRQDSTI-ZMSDIMECSA-N 1 3 346.475 0.737 20 0 ECADHO COc1ccc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051930662 763364123 /nfs/dbraw/zinc/36/41/23/763364123.db2.gz PQSYAWMXWUTQAR-HZPDHXFCSA-N 1 3 348.447 0.359 20 0 ECADHO COc1ccc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051930662 763364129 /nfs/dbraw/zinc/36/41/29/763364129.db2.gz PQSYAWMXWUTQAR-HZPDHXFCSA-N 1 3 348.447 0.359 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000940526705 763365846 /nfs/dbraw/zinc/36/58/46/763365846.db2.gz YYYPRGWCDBYTOA-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000940526705 763365850 /nfs/dbraw/zinc/36/58/50/763365850.db2.gz YYYPRGWCDBYTOA-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C(C)C)CC[N@@H+]1C ZINC001127705860 763664716 /nfs/dbraw/zinc/66/47/16/763664716.db2.gz HOLQWFPOFHEPBZ-QLFBSQMISA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C(C)C)CC[N@H+]1C ZINC001127705860 763664719 /nfs/dbraw/zinc/66/47/19/763664719.db2.gz HOLQWFPOFHEPBZ-QLFBSQMISA-N 1 3 326.485 0.678 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC)[C@H](C)C1 ZINC001106340122 768164974 /nfs/dbraw/zinc/16/49/74/768164974.db2.gz MEYDZUUKZCJYQD-HZSPNIEDSA-N 1 3 326.485 0.535 20 0 ECADHO CC(C)c1nccn1CC(=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052091357 763830911 /nfs/dbraw/zinc/83/09/11/763830911.db2.gz AUPKQPINMLBFGE-MRXNPFEDSA-N 1 3 349.479 0.217 20 0 ECADHO C[C@@H](F)CCN1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032043776 764273302 /nfs/dbraw/zinc/27/33/02/764273302.db2.gz LMULZFZEHQGWHK-CYBMUJFWSA-N 1 3 325.432 0.854 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC001054737166 768210780 /nfs/dbraw/zinc/21/07/80/768210780.db2.gz LPXVMWCPSHZDJC-PBHICJAKSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC001054740684 768216212 /nfs/dbraw/zinc/21/62/12/768216212.db2.gz XRLTVXBMHFJTGV-YOEHRIQHSA-N 1 3 333.480 0.883 20 0 ECADHO CC[C@H](CN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1)OC ZINC001047511916 764554897 /nfs/dbraw/zinc/55/48/97/764554897.db2.gz YJABXCZMUKHNKY-PMPSAXMXSA-N 1 3 327.469 0.257 20 0 ECADHO CCCNCc1cn([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098768192 764644584 /nfs/dbraw/zinc/64/45/84/764644584.db2.gz RYTSRGAJPVLOBZ-HNNXBMFYSA-N 1 3 332.452 0.647 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2occc2CN(C)C)CC1 ZINC001052662504 764957523 /nfs/dbraw/zinc/95/75/23/764957523.db2.gz HRUIYYFDYDLUTA-AWEZNQCLSA-N 1 3 336.436 0.672 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2occc2CN(C)C)CC1 ZINC001052662504 764957526 /nfs/dbraw/zinc/95/75/26/764957526.db2.gz HRUIYYFDYDLUTA-AWEZNQCLSA-N 1 3 336.436 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ZINC001106905759 766957445 /nfs/dbraw/zinc/95/74/45/766957445.db2.gz GPCOLNSOSYQZEI-HUUCEWRRSA-N 1 3 340.512 0.927 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1 ZINC001106905833 766963314 /nfs/dbraw/zinc/96/33/14/766963314.db2.gz KCRVVHODQMQIOR-NVXWUHKLSA-N 1 3 348.491 0.911 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CC1 ZINC000994848859 766987082 /nfs/dbraw/zinc/98/70/82/766987082.db2.gz VMOACWGSKKISPJ-MRXNPFEDSA-N 1 3 348.491 0.530 20 0 ECADHO CCOCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212299468 767187349 /nfs/dbraw/zinc/18/73/49/767187349.db2.gz JELWVTKEHVGHFB-YLFCFFPRSA-N 1 3 341.496 0.959 20 0 ECADHO CCOCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212299468 767187350 /nfs/dbraw/zinc/18/73/50/767187350.db2.gz JELWVTKEHVGHFB-YLFCFFPRSA-N 1 3 341.496 0.959 20 0 ECADHO CN1CCN(Cc2cccc(-c3noc([C@@H]4NCC[C@@H]4[NH3+])n3)c2)CC1 ZINC001212328857 767229495 /nfs/dbraw/zinc/22/94/95/767229495.db2.gz 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CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106674140 768584836 /nfs/dbraw/zinc/58/48/36/768584836.db2.gz UGGGXBWLIAIQCT-KFWWJZLASA-N 1 3 347.525 0.445 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000993814874 769670461 /nfs/dbraw/zinc/67/04/61/769670461.db2.gz GTXQDFSODAUFOX-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000993814874 769670465 /nfs/dbraw/zinc/67/04/65/769670465.db2.gz GTXQDFSODAUFOX-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001018634205 769686765 /nfs/dbraw/zinc/68/67/65/769686765.db2.gz HCFOZTHCXLQHBS-HOTGVXAUSA-N 1 3 330.432 0.570 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001018962889 770411110 /nfs/dbraw/zinc/41/11/10/770411110.db2.gz PABHTAKTXWWVIE-LSDHHAIUSA-N 1 3 336.480 0.671 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC001018964771 770417943 /nfs/dbraw/zinc/41/79/43/770417943.db2.gz MBULOTSCLDBIIC-DOTOQJQBSA-N 1 3 332.448 0.416 20 0 ECADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001019030340 770602655 /nfs/dbraw/zinc/60/26/55/770602655.db2.gz HRNBCFROZOOQFW-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001019274808 771087214 /nfs/dbraw/zinc/08/72/14/771087214.db2.gz QAPOVZXAWJXVFS-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001019274808 771087219 /nfs/dbraw/zinc/08/72/19/771087219.db2.gz QAPOVZXAWJXVFS-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@H]2CCN(C(C)C)C2=O)C1)[NH+](C)C ZINC001019337594 771178823 /nfs/dbraw/zinc/17/88/23/771178823.db2.gz QXEZNLIJTGPAFM-HRCADAONSA-N 1 3 338.496 0.772 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001019343108 771185965 /nfs/dbraw/zinc/18/59/65/771185965.db2.gz 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ZINC001020170860 772239739 /nfs/dbraw/zinc/23/97/39/772239739.db2.gz AKOKJNNCUSQZOT-FMKGYKFTSA-N 1 3 332.452 0.759 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3n[nH]c(C4CC4)n3)C2)CC[N@H+]1C ZINC001020170860 772239743 /nfs/dbraw/zinc/23/97/43/772239743.db2.gz AKOKJNNCUSQZOT-FMKGYKFTSA-N 1 3 332.452 0.759 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001020317094 772438126 /nfs/dbraw/zinc/43/81/26/772438126.db2.gz YWUYYSAWCOTXNF-BTFPBAQTSA-N 1 3 345.447 0.981 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1)[NH+](C)C ZINC001078472746 783017649 /nfs/dbraw/zinc/01/76/49/783017649.db2.gz GLWOOWKYNSNDDM-VYDXJSESSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044757028 774583508 /nfs/dbraw/zinc/58/35/08/774583508.db2.gz SQIIAHWDLWSEOB-STQMWFEESA-N 1 3 347.419 0.070 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)CN1CCCC1 ZINC001044856598 774679494 /nfs/dbraw/zinc/67/94/94/774679494.db2.gz ACRRJZFZXXTQBM-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO COc1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)n1 ZINC001044959975 774770597 /nfs/dbraw/zinc/77/05/97/774770597.db2.gz RBQQWZGVZRHORG-HOTGVXAUSA-N 1 3 347.463 0.968 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+][C@H]2CCCNC2=O)C1 ZINC001045200328 775127807 /nfs/dbraw/zinc/12/78/07/775127807.db2.gz UWORBUOMUIBFIM-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045321317 775408814 /nfs/dbraw/zinc/40/88/14/775408814.db2.gz LOAVNIOVMHBWRY-DOTOQJQBSA-N 1 3 344.459 0.831 20 0 ECADHO CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN(CCn2cncn2)CC1 ZINC001045439931 775613138 /nfs/dbraw/zinc/61/31/38/775613138.db2.gz CKBUZMIMMZCBHT-INIZCTEOSA-N 1 3 346.479 0.591 20 0 ECADHO COCC[NH+]1CCC(C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001045505755 775712133 /nfs/dbraw/zinc/71/21/33/775712133.db2.gz BDXSLVXQALPYNG-SWKXRBFHSA-N 1 3 337.464 0.467 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CCN(CCn2cncn2)CC1 ZINC001045554195 775786169 /nfs/dbraw/zinc/78/61/69/775786169.db2.gz PRUCMNWWEDKLLY-HUUCEWRRSA-N 1 3 334.468 0.447 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CCN(CCn2cncn2)CC1 ZINC001045554195 775786172 /nfs/dbraw/zinc/78/61/72/775786172.db2.gz PRUCMNWWEDKLLY-HUUCEWRRSA-N 1 3 334.468 0.447 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079930447 777104699 /nfs/dbraw/zinc/10/46/99/777104699.db2.gz PJOGGUVYLJJXQA-UHFFFAOYSA-N 1 3 326.485 0.728 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001079930913 777105419 /nfs/dbraw/zinc/10/54/19/777105419.db2.gz CJLOYEHWYJZLEZ-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079930913 777105423 /nfs/dbraw/zinc/10/54/23/777105423.db2.gz CJLOYEHWYJZLEZ-HNNXBMFYSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001080018228 777240466 /nfs/dbraw/zinc/24/04/66/777240466.db2.gz MTSFSKNQMSNXGP-GOEBONIOSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001080018228 777240472 /nfs/dbraw/zinc/24/04/72/777240472.db2.gz MTSFSKNQMSNXGP-GOEBONIOSA-N 1 3 338.496 0.728 20 0 ECADHO O=C(N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077813 790527884 /nfs/dbraw/zinc/52/78/84/790527884.db2.gz MQNSPDYTHJGOKW-CVEARBPZSA-N 1 3 344.463 0.516 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078783756 780491098 /nfs/dbraw/zinc/49/10/98/780491098.db2.gz NZXZWYSBUUIBJB-LSDHHAIUSA-N 1 3 344.463 0.428 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001077678840 781492639 /nfs/dbraw/zinc/49/26/39/781492639.db2.gz YGBQFUQPRLGICS-WFASDCNBSA-N 1 3 347.463 0.613 20 0 ECADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040713709 783315638 /nfs/dbraw/zinc/31/56/38/783315638.db2.gz XXADKZDRVSXWJM-JKSUJKDBSA-N 1 3 337.464 0.156 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2c[nH]nc2[C@H]2CCN(CCO)C2)CC[N@@H+]1C ZINC001070411440 784002105 /nfs/dbraw/zinc/00/21/05/784002105.db2.gz OJMITNGUGGVDQT-VNHYZAJKSA-N 1 3 335.452 0.148 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2c[nH]nc2[C@H]2CCN(CCO)C2)CC[N@H+]1C ZINC001070411440 784002108 /nfs/dbraw/zinc/00/21/08/784002108.db2.gz OJMITNGUGGVDQT-VNHYZAJKSA-N 1 3 335.452 0.148 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001071054646 784490802 /nfs/dbraw/zinc/49/08/02/784490802.db2.gz BXXLNLKJRMELIN-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001071054646 784490810 /nfs/dbraw/zinc/49/08/10/784490810.db2.gz BXXLNLKJRMELIN-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071087086 784530152 /nfs/dbraw/zinc/53/01/52/784530152.db2.gz JTTGFVCLLGXWND-LESCRADOSA-N 1 3 339.480 0.306 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001070807470 784702480 /nfs/dbraw/zinc/70/24/80/784702480.db2.gz WRBXUWQLBGIZBM-BZUAXINKSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001070807470 784702486 /nfs/dbraw/zinc/70/24/86/784702486.db2.gz WRBXUWQLBGIZBM-BZUAXINKSA-N 1 3 338.496 0.774 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001071204315 784729170 /nfs/dbraw/zinc/72/91/70/784729170.db2.gz KSTPGGDNALAFDM-CQSZACIVSA-N 1 3 335.452 0.710 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001072152861 785757268 /nfs/dbraw/zinc/75/72/68/785757268.db2.gz QUEDZJFCUBNOLR-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001072286539 785979461 /nfs/dbraw/zinc/97/94/61/785979461.db2.gz LPGRNICTYFTJLF-HUUCEWRRSA-N 1 3 338.496 0.632 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001072290117 785991678 /nfs/dbraw/zinc/99/16/78/785991678.db2.gz JUOGRWMKOPUPNT-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001072290117 785991681 /nfs/dbraw/zinc/99/16/81/785991681.db2.gz JUOGRWMKOPUPNT-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CCOC)CCCO2)CC[N@@H+]1C ZINC001073605962 786761797 /nfs/dbraw/zinc/76/17/97/786761797.db2.gz ZMGQOWJUQIQODR-OWCLPIDISA-N 1 3 327.469 0.570 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CCOC)CCCO2)CC[N@H+]1C ZINC001073605962 786761800 /nfs/dbraw/zinc/76/18/00/786761800.db2.gz ZMGQOWJUQIQODR-OWCLPIDISA-N 1 3 327.469 0.570 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001073672271 786931682 /nfs/dbraw/zinc/93/16/82/786931682.db2.gz KDBUKCULSBXOTH-SJORKVTESA-N 1 3 341.496 0.696 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001073672271 786931691 /nfs/dbraw/zinc/93/16/91/786931691.db2.gz KDBUKCULSBXOTH-SJORKVTESA-N 1 3 341.496 0.696 20 0 ECADHO COC[C@@H](C)N1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677671 786948966 /nfs/dbraw/zinc/94/89/66/786948966.db2.gz OMCQTLKYYXAWHU-CVEARBPZSA-N 1 3 339.480 0.857 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001074648481 787502172 /nfs/dbraw/zinc/50/21/72/787502172.db2.gz AEBQJANRACGDFK-HRCADAONSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001074648481 787502176 /nfs/dbraw/zinc/50/21/76/787502176.db2.gz AEBQJANRACGDFK-HRCADAONSA-N 1 3 336.480 0.671 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001074090511 787856421 /nfs/dbraw/zinc/85/64/21/787856421.db2.gz OGQKQWYZUQFGLR-UKRRQHHQSA-N 1 3 349.479 0.956 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001074090511 787856428 /nfs/dbraw/zinc/85/64/28/787856428.db2.gz OGQKQWYZUQFGLR-UKRRQHHQSA-N 1 3 349.479 0.956 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@H]2CCc3ncnn32)CCN1C(=O)[C@H]1CCCN1C ZINC001074803897 788357967 /nfs/dbraw/zinc/35/79/67/788357967.db2.gz UHRQNKOFKZRAGD-LJISPDSOSA-N 1 3 332.452 0.439 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001072623895 788455920 /nfs/dbraw/zinc/45/59/20/788455920.db2.gz FZBMKHCVLBYFOQ-IUODEOHRSA-N 1 3 335.452 0.566 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)[C@@H]1C ZINC001074877901 788478119 /nfs/dbraw/zinc/47/81/19/788478119.db2.gz RLZPZBROUGLLAA-VYDXJSESSA-N 1 3 346.475 0.949 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001074918473 788550143 /nfs/dbraw/zinc/55/01/43/788550143.db2.gz YDOIEPGAWSCXSK-YDHLFZDLSA-N 1 3 333.436 0.448 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001072675669 788566560 /nfs/dbraw/zinc/56/65/60/788566560.db2.gz YUSKPMDTLYQZOQ-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072731985 788662949 /nfs/dbraw/zinc/66/29/49/788662949.db2.gz UBEGQYHOWKSNDG-MRXNPFEDSA-N 1 3 346.479 0.685 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072731985 788662951 /nfs/dbraw/zinc/66/29/51/788662951.db2.gz UBEGQYHOWKSNDG-MRXNPFEDSA-N 1 3 346.479 0.685 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCc1cnn(C)c1)C2)C1CC1 ZINC001072814443 788871221 /nfs/dbraw/zinc/87/12/21/788871221.db2.gz FEYLAVGJWIVEGV-QGZVFWFLSA-N 1 3 345.491 0.837 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCc1cnn(C)c1)C2)C1CC1 ZINC001072814443 788871230 /nfs/dbraw/zinc/87/12/30/788871230.db2.gz FEYLAVGJWIVEGV-QGZVFWFLSA-N 1 3 345.491 0.837 20 0 ECADHO C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001075136622 788963087 /nfs/dbraw/zinc/96/30/87/788963087.db2.gz FLNRZMINTQXNBQ-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]Cc1cnnn1C ZINC001075291143 789174213 /nfs/dbraw/zinc/17/42/13/789174213.db2.gz YVEWDGKNGPFNGG-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO CNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)c3cnccc3N(C)C)C2)C1 ZINC001073131842 789499557 /nfs/dbraw/zinc/49/95/57/789499557.db2.gz VMNUHFNLPGUPJU-ZDUSSCGKSA-N 1 3 345.447 0.430 20 0 ECADHO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)c3cnccc3N(C)C)C2)C1 ZINC001073131842 789499564 /nfs/dbraw/zinc/49/95/64/789499564.db2.gz VMNUHFNLPGUPJU-ZDUSSCGKSA-N 1 3 345.447 0.430 20 0 ECADHO Cc1noc(CCCN2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)n1 ZINC001073425536 789820571 /nfs/dbraw/zinc/82/05/71/789820571.db2.gz AEUFRVOZMJNCGF-HNNXBMFYSA-N 1 3 347.463 0.797 20 0 ECADHO Cc1noc(CCCN2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)n1 ZINC001073425536 789820578 /nfs/dbraw/zinc/82/05/78/789820578.db2.gz AEUFRVOZMJNCGF-HNNXBMFYSA-N 1 3 347.463 0.797 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001073442704 789846378 /nfs/dbraw/zinc/84/63/78/789846378.db2.gz RHOIWAUYSOWZKL-HNNXBMFYSA-N 1 3 349.479 0.956 20 0 ECADHO CN(CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001067831682 792340117 /nfs/dbraw/zinc/34/01/17/792340117.db2.gz PNJOFTBNDARLLM-CQSZACIVSA-N 1 3 335.452 0.601 20 0 ECADHO CN(CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001067831682 792340131 /nfs/dbraw/zinc/34/01/31/792340131.db2.gz PNJOFTBNDARLLM-CQSZACIVSA-N 1 3 335.452 0.601 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@H](O)CC(F)(F)F)N(C)C ZINC001266733395 836215355 /nfs/dbraw/zinc/21/53/55/836215355.db2.gz UURPESWUVDTDTM-NEPJUHHUSA-N 1 3 327.391 0.934 20 0 ECADHO CC[C@H](C(=O)N(C)CC[NH2+]CCNC(=O)NC(C)(C)C)N(C)C ZINC001266987920 836569123 /nfs/dbraw/zinc/56/91/23/836569123.db2.gz ATJCAWQWTZGRNI-CYBMUJFWSA-N 1 3 329.489 0.472 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CN2CC[C@H](C)C2)CC[N@@H+]1C ZINC001408582710 836951183 /nfs/dbraw/zinc/95/11/83/836951183.db2.gz CNVMBRSNEXMKJB-HRCADAONSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CN2CC[C@H](C)C2)CC[N@H+]1C ZINC001408582710 836951194 /nfs/dbraw/zinc/95/11/94/836951194.db2.gz CNVMBRSNEXMKJB-HRCADAONSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(CCNC(=O)[C@@H](C(C)C)N(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001408774883 838394535 /nfs/dbraw/zinc/39/45/35/838394535.db2.gz IFFMUWIGHWEAJQ-LSDHHAIUSA-N 1 3 326.485 0.489 20 0 ECADHO CCN(CCNC(=O)[C@@H](C(C)C)N(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408774883 838394546 /nfs/dbraw/zinc/39/45/46/838394546.db2.gz IFFMUWIGHWEAJQ-LSDHHAIUSA-N 1 3 326.485 0.489 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000354684879 299096628 /nfs/dbraw/zinc/09/66/28/299096628.db2.gz NRLUWNIQSHHVGZ-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426432473 210150793 /nfs/dbraw/zinc/15/07/93/210150793.db2.gz HGOANEZCSCQDDC-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421554706 295902005 /nfs/dbraw/zinc/90/20/05/295902005.db2.gz KSCLPOMJLJRTPH-FHERZECASA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000355296356 299233029 /nfs/dbraw/zinc/23/30/29/299233029.db2.gz GZNUZVAMAALYHQ-CABCVRRESA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000355324370 299238882 /nfs/dbraw/zinc/23/88/82/299238882.db2.gz UFYRWWAIDPMXIP-KBPBESRZSA-N 1 3 326.485 0.632 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423417108 283231955 /nfs/dbraw/zinc/23/19/55/283231955.db2.gz RTKQKMSFGWGTDG-OAHLLOKOSA-N 1 3 342.484 0.143 20 0 ECADHO O=S(=O)([C@@H]1CCCN(CCC2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000420359437 209357764 /nfs/dbraw/zinc/35/77/64/209357764.db2.gz KNHIHZVQGVIEEV-MRXNPFEDSA-N 1 3 345.509 0.503 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000420206859 209340826 /nfs/dbraw/zinc/34/08/26/209340826.db2.gz FLIIVGBFMNCMTE-GJZGRUSLSA-N 1 3 336.480 0.649 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420107175 209307971 /nfs/dbraw/zinc/30/79/71/209307971.db2.gz ALUSLOSIIZIBKO-HZPDHXFCSA-N 1 3 340.512 0.927 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)C2CCCC2)[C@@H](C)C1 ZINC000420095158 209304173 /nfs/dbraw/zinc/30/41/73/209304173.db2.gz YMEORZKMLXXNRQ-BPUTZDHNSA-N 1 3 338.496 0.809 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)C2CCCC2)[C@@H](C)C1 ZINC000420095158 209304178 /nfs/dbraw/zinc/30/41/78/209304178.db2.gz YMEORZKMLXXNRQ-BPUTZDHNSA-N 1 3 338.496 0.809 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420084870 209301413 /nfs/dbraw/zinc/30/14/13/209301413.db2.gz AMZNUKXTINDJFN-UHFFFAOYSA-N 1 3 338.477 0.636 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420076402 209298299 /nfs/dbraw/zinc/29/82/99/209298299.db2.gz VYIWJBSSUVVTDP-HNNXBMFYSA-N 1 3 326.485 0.810 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000419958214 209261197 /nfs/dbraw/zinc/26/11/97/209261197.db2.gz QAXMOWGWTZPMBR-HNNXBMFYSA-N 1 3 346.475 0.820 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000419953359 209258944 /nfs/dbraw/zinc/25/89/44/209258944.db2.gz KWTSDMPABOGOSB-MRXNPFEDSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419919432 209248831 /nfs/dbraw/zinc/24/88/31/209248831.db2.gz VSABBNOCTKKRMW-MRXNPFEDSA-N 1 3 332.448 0.745 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419856525 209227551 /nfs/dbraw/zinc/22/75/51/209227551.db2.gz IYVOMCNFAQENTB-AWEZNQCLSA-N 1 3 336.436 0.286 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419780816 209202849 /nfs/dbraw/zinc/20/28/49/209202849.db2.gz RDHSERMYELFBNV-CYBMUJFWSA-N 1 3 326.485 0.666 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419769888 209201177 /nfs/dbraw/zinc/20/11/77/209201177.db2.gz WJVGKRFWDXSEKT-UHFFFAOYSA-N 1 3 338.496 0.827 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000419760166 209198984 /nfs/dbraw/zinc/19/89/84/209198984.db2.gz IAACCBHARHOEAU-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000356301857 299375267 /nfs/dbraw/zinc/37/52/67/299375267.db2.gz LPBTZBWVQVIVFZ-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)cc1 ZINC000262533522 245021868 /nfs/dbraw/zinc/02/18/68/245021868.db2.gz QAGKBCYHNHHCAI-WMZOPIPTSA-N 1 3 347.459 0.746 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419703609 209178422 /nfs/dbraw/zinc/17/84/22/209178422.db2.gz WQAMXPNEMQZFGW-ARFHVFGLSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000419701326 209177821 /nfs/dbraw/zinc/17/78/21/209177821.db2.gz TXEKMADMUHLSGJ-BZUAXINKSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419695021 209174042 /nfs/dbraw/zinc/17/40/42/209174042.db2.gz KHHQEFXVSDBRJN-INIZCTEOSA-N 1 3 336.480 0.649 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000419694757 209173567 /nfs/dbraw/zinc/17/35/67/209173567.db2.gz LITANXYGBYTXEO-DOTOQJQBSA-N 1 3 344.459 0.936 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000419694757 209173571 /nfs/dbraw/zinc/17/35/71/209173571.db2.gz LITANXYGBYTXEO-DOTOQJQBSA-N 1 3 344.459 0.936 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419657310 209160212 /nfs/dbraw/zinc/16/02/12/209160212.db2.gz JPDMMIICVYSUPO-OIISXLGYSA-N 1 3 344.459 0.634 20 0 ECADHO N[C@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000419649665 209157115 /nfs/dbraw/zinc/15/71/15/209157115.db2.gz UHDCAUHESSCEJQ-QGZVFWFLSA-N 1 3 344.459 0.793 20 0 ECADHO CCCN(C(=O)C(=O)NCc1cccc(CN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000419651952 209157133 /nfs/dbraw/zinc/15/71/33/209157133.db2.gz WSBWZNKJHIHCBK-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419780818 209203076 /nfs/dbraw/zinc/20/30/76/209203076.db2.gz RDHSERMYELFBNV-ZDUSSCGKSA-N 1 3 326.485 0.666 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419634226 209151816 /nfs/dbraw/zinc/15/18/16/209151816.db2.gz DWYPALSAGXEVQK-MRXNPFEDSA-N 1 3 334.464 0.998 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419578923 209132109 /nfs/dbraw/zinc/13/21/09/209132109.db2.gz FKNKZYVGWIXKGK-QGPPMGRFSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419578535 209131602 /nfs/dbraw/zinc/13/16/02/209131602.db2.gz FAIKCIXJGNRZKM-QGZVFWFLSA-N 1 3 344.459 0.897 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCSC1 ZINC000419576135 209130687 /nfs/dbraw/zinc/13/06/87/209130687.db2.gz BRYPFWGXBHSZNZ-XJKSGUPXSA-N 1 3 342.509 0.174 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H](N)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000419535784 209119576 /nfs/dbraw/zinc/11/95/76/209119576.db2.gz ABOOFYGGMZRUJL-ZFWWWQNUSA-N 1 3 334.464 0.895 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C(C)(C)C[NH+](C)C ZINC000419536717 209119089 /nfs/dbraw/zinc/11/90/89/209119089.db2.gz BHJLGDYOPMJECB-AVGNSLFASA-N 1 3 342.484 0.308 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@@H](N)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000419535782 209118992 /nfs/dbraw/zinc/11/89/92/209118992.db2.gz ABOOFYGGMZRUJL-UKRRQHHQSA-N 1 3 334.464 0.895 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000419526088 209115290 /nfs/dbraw/zinc/11/52/90/209115290.db2.gz SEHDZNSKTXFHMV-CYBMUJFWSA-N 1 3 332.448 0.753 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000419526088 209115292 /nfs/dbraw/zinc/11/52/92/209115292.db2.gz SEHDZNSKTXFHMV-CYBMUJFWSA-N 1 3 332.448 0.753 20 0 ECADHO CNS(=O)(=O)CCCN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000111216103 220111453 /nfs/dbraw/zinc/11/14/53/220111453.db2.gz IXFYQNAJGMPCLU-GJZGRUSLSA-N 1 3 347.525 0.747 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000447438516 211189827 /nfs/dbraw/zinc/18/98/27/211189827.db2.gz FRYZPUFJMZGOHG-INIZCTEOSA-N 1 3 348.447 0.686 20 0 ECADHO CCN1CCN(CCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446378506 211142602 /nfs/dbraw/zinc/14/26/02/211142602.db2.gz USOREBSWZCREOM-HDMKZQKVSA-N 1 3 338.496 0.273 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000446258455 211136008 /nfs/dbraw/zinc/13/60/08/211136008.db2.gz LRQRLLNTERLYQD-DAYGRLMNSA-N 1 3 339.480 0.482 20 0 ECADHO O=C(NCC1CCN(CCO)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000445094527 211110110 /nfs/dbraw/zinc/11/01/10/211110110.db2.gz QMQFAPKCOGANKL-UHFFFAOYSA-N 1 3 338.496 0.864 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420120320 209311085 /nfs/dbraw/zinc/31/10/85/209311085.db2.gz JVHJWBPPEPVHQB-CABCVRRESA-N 1 3 342.484 0.060 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416005767 285035017 /nfs/dbraw/zinc/03/50/17/285035017.db2.gz KEXCZHRMAZRHIS-WDEREUQCSA-N 1 3 326.363 0.676 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430716141 210398890 /nfs/dbraw/zinc/39/88/90/210398890.db2.gz BZLVJGDAXFYBEJ-HNNXBMFYSA-N 1 3 325.453 0.516 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000430593330 210384057 /nfs/dbraw/zinc/38/40/57/210384057.db2.gz IRNMHPKTQGNWMX-MRXNPFEDSA-N 1 3 348.495 0.821 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418835020 208866704 /nfs/dbraw/zinc/86/67/04/208866704.db2.gz PFFWGPRLQMHVHO-STQMWFEESA-N 1 3 340.468 0.206 20 0 ECADHO CCOC(=O)N1CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000495554246 255018724 /nfs/dbraw/zinc/01/87/24/255018724.db2.gz HJGQTRNQRYREOJ-CQSZACIVSA-N 1 3 343.472 0.352 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419175908 209012897 /nfs/dbraw/zinc/01/28/97/209012897.db2.gz YGAGOGCTSOSYIX-BZUAXINKSA-N 1 3 338.496 0.871 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419175271 209012934 /nfs/dbraw/zinc/01/29/34/209012934.db2.gz XBUWGVNBHHWTFX-ARFHVFGLSA-N 1 3 338.496 0.953 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419189032 209017717 /nfs/dbraw/zinc/01/77/17/209017717.db2.gz KUJLLMCINHERPS-CQSZACIVSA-N 1 3 346.475 0.787 20 0 ECADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419220876 209030613 /nfs/dbraw/zinc/03/06/13/209030613.db2.gz ACYWFOJSJPZODJ-INIZCTEOSA-N 1 3 334.464 0.403 20 0 ECADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419224535 209031782 /nfs/dbraw/zinc/03/17/82/209031782.db2.gz FTLMVFLKZZPMEP-PMPSAXMXSA-N 1 3 334.464 0.187 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419230724 209033519 /nfs/dbraw/zinc/03/35/19/209033519.db2.gz QJMJLTLOBHSFQS-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419232054 209034940 /nfs/dbraw/zinc/03/49/40/209034940.db2.gz UDQKBRRZQWARCN-HOTGVXAUSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419234707 209036758 /nfs/dbraw/zinc/03/67/58/209036758.db2.gz XYCNGUBEMDOYAE-FVQBIDKESA-N 1 3 336.480 0.481 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC[NH2+]1 ZINC000419235053 209037285 /nfs/dbraw/zinc/03/72/85/209037285.db2.gz YMRLUAIQEGXLQE-VNQPRFMTSA-N 1 3 336.480 0.624 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419286461 209051244 /nfs/dbraw/zinc/05/12/44/209051244.db2.gz ORZJUISVYNIJBW-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419416962 209088457 /nfs/dbraw/zinc/08/84/57/209088457.db2.gz HHOOJWFFLJHLIM-CQSZACIVSA-N 1 3 344.459 0.897 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000417742559 285318597 /nfs/dbraw/zinc/31/85/97/285318597.db2.gz BHJNOVQXPXEVSL-JKSUJKDBSA-N 1 3 327.517 0.933 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)Cc1ccccc1 ZINC000419367201 209071746 /nfs/dbraw/zinc/07/17/46/209071746.db2.gz CXAFBIJUUDXMOY-QGZVFWFLSA-N 1 3 346.475 0.391 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)Cc2ccccc2C1 ZINC000419369730 209071875 /nfs/dbraw/zinc/07/18/75/209071875.db2.gz FYPYPDBNEFFVJD-INIZCTEOSA-N 1 3 344.459 0.055 20 0 ECADHO Cc1cnc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000130574726 296665460 /nfs/dbraw/zinc/66/54/60/296665460.db2.gz NBXFTPMFLQAEOQ-UHFFFAOYSA-N 1 3 327.454 0.342 20 0 ECADHO CC[C@@]1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CCC[NH2+]1 ZINC000134610631 296675444 /nfs/dbraw/zinc/67/54/44/296675444.db2.gz REQNJWPHKHQBQG-INIZCTEOSA-N 1 3 336.440 0.032 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nnc2n1CCCC2 ZINC000153783586 296693480 /nfs/dbraw/zinc/69/34/80/296693480.db2.gz MZLRJZQHRDYFKW-UHFFFAOYSA-N 1 3 337.472 0.249 20 0 ECADHO C[C@@]1(C[NH3+])CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000261611459 165215879 /nfs/dbraw/zinc/21/58/79/165215879.db2.gz BHOJYKJJDGNPSU-SFHVURJKSA-N 1 3 331.464 0.791 20 0 ECADHO C[C@@]1(CN)CC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000261611459 165215881 /nfs/dbraw/zinc/21/58/81/165215881.db2.gz BHOJYKJJDGNPSU-SFHVURJKSA-N 1 3 331.464 0.791 20 0 ECADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000261611459 165215884 /nfs/dbraw/zinc/21/58/84/165215884.db2.gz BHOJYKJJDGNPSU-SFHVURJKSA-N 1 3 331.464 0.791 20 0 ECADHO C[C@@]1(C[NH3+])CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000261665208 165222637 /nfs/dbraw/zinc/22/26/37/165222637.db2.gz INYZXCWXRKZOCM-KRWDZBQOSA-N 1 3 332.452 0.186 20 0 ECADHO C[C@@]1(CN)CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000261665208 165222641 /nfs/dbraw/zinc/22/26/41/165222641.db2.gz INYZXCWXRKZOCM-KRWDZBQOSA-N 1 3 332.452 0.186 20 0 ECADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000261665208 165222643 /nfs/dbraw/zinc/22/26/43/165222643.db2.gz INYZXCWXRKZOCM-KRWDZBQOSA-N 1 3 332.452 0.186 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)C[C@H](C)O1 ZINC000261864109 165253898 /nfs/dbraw/zinc/25/38/98/165253898.db2.gz SLXVFQLQCLNDSA-WTTBNOFXSA-N 1 3 339.480 0.841 20 0 ECADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)N2CCN(CC)CC2)C1(C)C ZINC000262769334 165385233 /nfs/dbraw/zinc/38/52/33/165385233.db2.gz HDVJXHFUXYTEFE-DAYGRLMNSA-N 1 3 340.512 0.661 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]1CN ZINC000423728555 287322265 /nfs/dbraw/zinc/32/22/65/287322265.db2.gz JVFJWQOSHFWRGE-ZBFHGGJFSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)[C@H]1CN ZINC000423733475 287322408 /nfs/dbraw/zinc/32/24/08/287322408.db2.gz NQYNYXNZJGFNDY-ZBFHGGJFSA-N 1 3 338.496 0.763 20 0 ECADHO COCCCNC(=O)[C@@H](C)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359221307 299824106 /nfs/dbraw/zinc/82/41/06/299824106.db2.gz OVSJRPNKHPKKKP-MRXNPFEDSA-N 1 3 340.512 0.535 20 0 ECADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000165968505 226141342 /nfs/dbraw/zinc/14/13/42/226141342.db2.gz FLIVGNKORGCYAN-SFHVURJKSA-N 1 3 332.492 0.946 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000174351861 263150226 /nfs/dbraw/zinc/15/02/26/263150226.db2.gz SWGWALMDTLGHOH-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000174351861 263150228 /nfs/dbraw/zinc/15/02/28/263150228.db2.gz SWGWALMDTLGHOH-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(CC[NH3+])Cc2ccccc2)CC1=O ZINC000184201254 263158442 /nfs/dbraw/zinc/15/84/42/263158442.db2.gz SXYYUQKSMJQPKB-MRXNPFEDSA-N 1 3 332.448 0.384 20 0 ECADHO CCN(CCO)CCNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000187375679 263160567 /nfs/dbraw/zinc/16/05/67/263160567.db2.gz XGFIFIIRZXUARS-MRXNPFEDSA-N 1 3 328.501 0.968 20 0 ECADHO CCN(CCO)CCNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000187375679 263160568 /nfs/dbraw/zinc/16/05/68/263160568.db2.gz XGFIFIIRZXUARS-MRXNPFEDSA-N 1 3 328.501 0.968 20 0 ECADHO CN(C)C/C=C/C(=O)N1CC[C@](C)(CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000282355145 264036542 /nfs/dbraw/zinc/03/65/42/264036542.db2.gz PMCZLUPFJNDLSF-XUZMWYRGSA-N 1 3 336.480 0.577 20 0 ECADHO CN(C)C/C=C/C(=O)NC[C@@]1(C)CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000282355145 264036544 /nfs/dbraw/zinc/03/65/44/264036544.db2.gz PMCZLUPFJNDLSF-XUZMWYRGSA-N 1 3 336.480 0.577 20 0 ECADHO CN(CCOCCO)Cc1ccccc1C[N@H+](C)CCOCCO ZINC000282631304 264054665 /nfs/dbraw/zinc/05/46/65/264054665.db2.gz YRDYSBAEOCKNLI-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO CN(CCOCCO)Cc1ccccc1C[N@@H+](C)CCOCCO ZINC000282631304 264054667 /nfs/dbraw/zinc/05/46/67/264054667.db2.gz YRDYSBAEOCKNLI-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](CN)OC)cc1 ZINC000289983451 264581218 /nfs/dbraw/zinc/58/12/18/264581218.db2.gz OEWUBYZKWFBTIY-OAHLLOKOSA-N 1 3 336.436 0.670 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000459913423 276305787 /nfs/dbraw/zinc/30/57/87/276305787.db2.gz WMACTPAOWMLGEI-INIZCTEOSA-N 1 3 340.512 0.833 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000459913423 276305789 /nfs/dbraw/zinc/30/57/89/276305789.db2.gz WMACTPAOWMLGEI-INIZCTEOSA-N 1 3 340.512 0.833 20 0 ECADHO CCN1CCN(CCCCNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236875535 276384019 /nfs/dbraw/zinc/38/40/19/276384019.db2.gz COYWHFJGVBSNIU-HNNXBMFYSA-N 1 3 328.526 0.615 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000419223436 276763227 /nfs/dbraw/zinc/76/32/27/276763227.db2.gz YHDDWJIENRNLOX-INIZCTEOSA-N 1 3 348.447 0.097 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415773063 276764268 /nfs/dbraw/zinc/76/42/68/276764268.db2.gz DEKZYHRUPIRCLY-CVEARBPZSA-N 1 3 344.459 0.940 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000418966243 278268613 /nfs/dbraw/zinc/26/86/13/278268613.db2.gz QBBAKOOIIJPKKN-AWEZNQCLSA-N 1 3 332.448 0.491 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419847156 279101954 /nfs/dbraw/zinc/10/19/54/279101954.db2.gz IBIDDDKCLKPYGK-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000419959392 279135250 /nfs/dbraw/zinc/13/52/50/279135250.db2.gz QXSYHOVXUNOCID-HZPDHXFCSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000419959392 279135251 /nfs/dbraw/zinc/13/52/51/279135251.db2.gz QXSYHOVXUNOCID-HZPDHXFCSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419018065 279135824 /nfs/dbraw/zinc/13/58/24/279135824.db2.gz BLNWTNVQZDDZOJ-KLHDSHLOSA-N 1 3 340.512 0.959 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1=O ZINC000262702928 279305937 /nfs/dbraw/zinc/30/59/37/279305937.db2.gz BCAPZWXIYHPRAW-KLHDSHLOSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N(C)Cc1ccccc1 ZINC000418944752 279325018 /nfs/dbraw/zinc/32/50/18/279325018.db2.gz KICNEKXTLZIBCY-BFYDXBDKSA-N 1 3 346.475 0.819 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@@H](C)C1 ZINC000410734563 279396090 /nfs/dbraw/zinc/39/60/90/279396090.db2.gz YTKMWDKQWOXQOA-CAOSSQGBSA-N 1 3 336.480 0.338 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@@H](C)C1 ZINC000410734563 279396091 /nfs/dbraw/zinc/39/60/91/279396091.db2.gz YTKMWDKQWOXQOA-CAOSSQGBSA-N 1 3 336.480 0.338 20 0 ECADHO O=C(C[C@@H]1CSCCN1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261913591 279792311 /nfs/dbraw/zinc/79/23/11/279792311.db2.gz UDOVRUNAONUOFD-MNOVXSKESA-N 1 3 340.415 0.034 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])N1CCC(C)CC1 ZINC000419336314 280239862 /nfs/dbraw/zinc/23/98/62/280239862.db2.gz AAWIBHPXABDNII-GJZGRUSLSA-N 1 3 326.485 0.570 20 0 ECADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343640426 437609823 /nfs/dbraw/zinc/60/98/23/437609823.db2.gz MVJHHKMYIIPGRM-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000343640426 437609829 /nfs/dbraw/zinc/60/98/29/437609829.db2.gz MVJHHKMYIIPGRM-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459316143 289037186 /nfs/dbraw/zinc/03/71/86/289037186.db2.gz QEGAAGKKDREQTC-BZUAXINKSA-N 1 3 326.485 0.815 20 0 ECADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459316143 289037188 /nfs/dbraw/zinc/03/71/88/289037188.db2.gz QEGAAGKKDREQTC-BZUAXINKSA-N 1 3 326.485 0.815 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000410474077 289289706 /nfs/dbraw/zinc/28/97/06/289289706.db2.gz WLBSCXHLDNDTFC-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000410474077 289289712 /nfs/dbraw/zinc/28/97/12/289289712.db2.gz WLBSCXHLDNDTFC-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419117941 289575158 /nfs/dbraw/zinc/57/51/58/289575158.db2.gz HZPDVKUMTCTJKV-OAGGEKHMSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332113035 297003708 /nfs/dbraw/zinc/00/37/08/297003708.db2.gz CMYBLEITHUEFEK-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332113035 297003709 /nfs/dbraw/zinc/00/37/09/297003709.db2.gz CMYBLEITHUEFEK-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000332405079 297037864 /nfs/dbraw/zinc/03/78/64/297037864.db2.gz OPPQVYWHQOXRDY-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332477231 297043203 /nfs/dbraw/zinc/04/32/03/297043203.db2.gz LOOVSYSHZJPQFN-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332477231 297043205 /nfs/dbraw/zinc/04/32/05/297043205.db2.gz LOOVSYSHZJPQFN-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416842483 295232260 /nfs/dbraw/zinc/23/22/60/295232260.db2.gz NIBXKVDSEKQIIN-ZDUSSCGKSA-N 1 3 326.466 0.848 20 0 ECADHO C[C@H](CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000333037375 297103478 /nfs/dbraw/zinc/10/34/78/297103478.db2.gz NUBKXFFIWWPYOP-OLMNPRSZSA-N 1 3 334.464 0.189 20 0 ECADHO C[C@H](CC[N@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000333037375 297103480 /nfs/dbraw/zinc/10/34/80/297103480.db2.gz NUBKXFFIWWPYOP-OLMNPRSZSA-N 1 3 334.464 0.189 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](F)C[C@H]3CO)CC2)CC1 ZINC000333299562 297122508 /nfs/dbraw/zinc/12/25/08/297122508.db2.gz SNEOCOKKSOTUFQ-CJNGLKHVSA-N 1 3 342.459 0.659 20 0 ECADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000333551373 297140973 /nfs/dbraw/zinc/14/09/73/297140973.db2.gz JNOFUIHBAGIIQR-IJEWVQPXSA-N 1 3 332.452 0.759 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000339489068 297353928 /nfs/dbraw/zinc/35/39/28/297353928.db2.gz RUJFNTHLPRTEGI-AWEZNQCLSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339635980 297367451 /nfs/dbraw/zinc/36/74/51/297367451.db2.gz JFKBEGFJGZOYQN-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339635980 297367453 /nfs/dbraw/zinc/36/74/53/297367453.db2.gz JFKBEGFJGZOYQN-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339644356 297368436 /nfs/dbraw/zinc/36/84/36/297368436.db2.gz LZPRGYMTQZKXHK-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH+](CCOC)CCOC)CC1)N(C)C ZINC000343040264 297814308 /nfs/dbraw/zinc/81/43/08/297814308.db2.gz CJVLAWHOTSMWNT-INIZCTEOSA-N 1 3 329.485 0.912 20 0 ECADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000344450303 298021680 /nfs/dbraw/zinc/02/16/80/298021680.db2.gz HYYZZRCWEBUCGC-SZMVWBNQSA-N 1 3 332.492 0.852 20 0 ECADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000344450303 298021683 /nfs/dbraw/zinc/02/16/83/298021683.db2.gz HYYZZRCWEBUCGC-SZMVWBNQSA-N 1 3 332.492 0.852 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000345330182 298145048 /nfs/dbraw/zinc/14/50/48/298145048.db2.gz QFODQVNZARLKFY-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)CCC(C)(C)C(=O)N[C@@H](C)CN(C)C ZINC000346135106 298231555 /nfs/dbraw/zinc/23/15/55/298231555.db2.gz CIYVWVGDZVCAFP-KGLIPLIRSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](CN(C)C)NC(=O)CCC(C)(C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000346135106 298231559 /nfs/dbraw/zinc/23/15/59/298231559.db2.gz CIYVWVGDZVCAFP-KGLIPLIRSA-N 1 3 328.501 0.925 20 0 ECADHO C[NH+](C)CCOCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000349740398 298679914 /nfs/dbraw/zinc/67/99/14/298679914.db2.gz AAGLPFREVZNBHS-UHFFFAOYSA-N 1 3 348.491 0.893 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000350963537 298742922 /nfs/dbraw/zinc/74/29/22/298742922.db2.gz BHBLAGBMVFMCLJ-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000351026427 298748190 /nfs/dbraw/zinc/74/81/90/298748190.db2.gz VXVUPTWFRFERJF-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000351557862 298787346 /nfs/dbraw/zinc/78/73/46/298787346.db2.gz LFMVTIIDNKJXNX-HNNXBMFYSA-N 1 3 334.420 0.434 20 0 ECADHO CO[C@H](CN)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000353437038 299048485 /nfs/dbraw/zinc/04/84/85/299048485.db2.gz YFXZNTWZZLJLJQ-GOEBONIOSA-N 1 3 335.448 0.976 20 0 ECADHO CSC1(CNC(=O)NC[C@]2(O)CCN(C)C2)CC[NH+](C)CC1 ZINC000360694133 300016736 /nfs/dbraw/zinc/01/67/36/300016736.db2.gz LHXHASULNVDGSZ-CQSZACIVSA-N 1 3 330.498 0.180 20 0 ECADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000361780916 300124920 /nfs/dbraw/zinc/12/49/20/300124920.db2.gz MECUZVJQNRVSMA-RTBURBONSA-N 1 3 343.471 0.864 20 0 ECADHO CCN1CCN(CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362564545 300199234 /nfs/dbraw/zinc/19/92/34/300199234.db2.gz LTCWWGSCDDOEHG-OAHLLOKOSA-N 1 3 348.495 0.634 20 0 ECADHO O=C(C[C@H]1CCC[NH2+]CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000364470341 300360246 /nfs/dbraw/zinc/36/02/46/300360246.db2.gz WOFLRWHKLZJIFU-INIZCTEOSA-N 1 3 336.480 0.533 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)C2)CC1 ZINC000370787797 300861422 /nfs/dbraw/zinc/86/14/22/300861422.db2.gz OMKGFOIAYOJOQN-CVEARBPZSA-N 1 3 340.537 0.708 20 0 ECADHO [NH3+][C@@H](CC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1 ZINC000376719029 301285402 /nfs/dbraw/zinc/28/54/02/301285402.db2.gz BXBQARIOYGWROX-MSOLQXFVSA-N 1 3 346.475 0.599 20 0 ECADHO CNC(=O)c1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000077771803 436253817 /nfs/dbraw/zinc/25/38/17/436253817.db2.gz MNSMIGJQDHWFLO-UHFFFAOYSA-N 1 3 349.479 0.681 20 0 ECADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)N1CCOCC1 ZINC000077822335 436254684 /nfs/dbraw/zinc/25/46/84/436254684.db2.gz IGTHMSGGYXKUCR-CVEARBPZSA-N 1 3 343.516 0.230 20 0 ECADHO CN(C)CCN(C)C(=O)[C@H]1CCC[C@H](C(=O)N(C)CC[NH+](C)C)C1 ZINC000080388068 436318000 /nfs/dbraw/zinc/31/80/00/436318000.db2.gz NXWXYBVNGJBUHW-HOTGVXAUSA-N 1 3 340.512 0.833 20 0 ECADHO CCN1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000080445740 436319834 /nfs/dbraw/zinc/31/98/34/436319834.db2.gz JHCUJDMUJOHYRR-INIZCTEOSA-N 1 3 325.501 0.607 20 0 ECADHO CCC[NH+]1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000515831765 301650110 /nfs/dbraw/zinc/65/01/10/301650110.db2.gz NDANZIQUNZALEW-JKSUJKDBSA-N 1 3 334.468 0.731 20 0 ECADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000089596548 436413486 /nfs/dbraw/zinc/41/34/86/436413486.db2.gz OWCSUBDSSUTAPR-WCVJEAGWSA-N 1 3 347.525 0.793 20 0 ECADHO C[C@H](CC(=O)N(C)C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038589 436427356 /nfs/dbraw/zinc/42/73/56/436427356.db2.gz RPYYMJXFYLIYIM-CQSZACIVSA-N 1 3 334.464 0.934 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(CNC(N)=O)cc1 ZINC000103212282 436554046 /nfs/dbraw/zinc/55/40/46/436554046.db2.gz SGLITRXZEVOMPT-UHFFFAOYSA-N 1 3 335.452 0.420 20 0 ECADHO Cc1cc(C)n2nc(C(=O)N(CCN(C)C)CC[NH+](C)C)nc2n1 ZINC000103212850 436554100 /nfs/dbraw/zinc/55/41/00/436554100.db2.gz JTBQVMCCGSJNIB-UHFFFAOYSA-N 1 3 333.440 0.307 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000109168151 436623655 /nfs/dbraw/zinc/62/36/55/436623655.db2.gz TYZHFNHZACDUIM-RDJZCZTQSA-N 1 3 338.496 0.863 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000109168151 436623656 /nfs/dbraw/zinc/62/36/56/436623656.db2.gz TYZHFNHZACDUIM-RDJZCZTQSA-N 1 3 338.496 0.863 20 0 ECADHO C[NH+]1CCC(O)(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000530619868 302019473 /nfs/dbraw/zinc/01/94/73/302019473.db2.gz KKHNVPSAOUIUJV-KRWDZBQOSA-N 1 3 346.475 0.867 20 0 ECADHO CC(C)N1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000531425179 302053290 /nfs/dbraw/zinc/05/32/90/302053290.db2.gz SYKBOPFDGDRANB-AWEZNQCLSA-N 1 3 327.473 0.131 20 0 ECADHO C[NH+](C)CCOCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000544340799 302222550 /nfs/dbraw/zinc/22/25/50/302222550.db2.gz HINXPGJVNLIQBP-KRWDZBQOSA-N 1 3 334.464 0.988 20 0 ECADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CNCCO3)cc2)CC1 ZINC000236964255 436720284 /nfs/dbraw/zinc/72/02/84/436720284.db2.gz NGQBLIPTYMNDAR-KRWDZBQOSA-N 1 3 332.448 0.751 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000237172236 436725901 /nfs/dbraw/zinc/72/59/01/436725901.db2.gz VYHIWTIUINCIHY-GOSISDBHSA-N 1 3 332.448 0.594 20 0 ECADHO N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000238070855 436754772 /nfs/dbraw/zinc/75/47/72/436754772.db2.gz YJUFWSMZSGJHLH-KRWDZBQOSA-N 1 3 344.459 0.323 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 ZINC000125490884 436771436 /nfs/dbraw/zinc/77/14/36/436771436.db2.gz PIOWNFWNODIENE-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)CN1CCN(C)CC1 ZINC000246365415 436777116 /nfs/dbraw/zinc/77/71/16/436777116.db2.gz PZDRTINZSWYRMP-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)CN1CCN(C)CC1 ZINC000246365415 436777119 /nfs/dbraw/zinc/77/71/19/436777119.db2.gz PZDRTINZSWYRMP-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)CN(C)[C@H]2CCSC2)CC1 ZINC000154367586 436777708 /nfs/dbraw/zinc/77/77/08/436777708.db2.gz LDMZFPUGUBPBSS-HNNXBMFYSA-N 1 3 328.526 0.568 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246453598 436779179 /nfs/dbraw/zinc/77/91/79/436779179.db2.gz URBKPEMOMYAMQZ-JKSUJKDBSA-N 1 3 327.517 0.899 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246453598 436779181 /nfs/dbraw/zinc/77/91/81/436779181.db2.gz URBKPEMOMYAMQZ-JKSUJKDBSA-N 1 3 327.517 0.899 20 0 ECADHO CN(CCC(=O)N1CCOCC1)CC[N@H+](C)C1CCN(C)CC1 ZINC000126396012 436786099 /nfs/dbraw/zinc/78/60/99/436786099.db2.gz ORMWWMCGZZZJLB-UHFFFAOYSA-N 1 3 326.485 0.193 20 0 ECADHO CN(CCC(=O)N1CCOCC1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000126396012 436786101 /nfs/dbraw/zinc/78/61/01/436786101.db2.gz ORMWWMCGZZZJLB-UHFFFAOYSA-N 1 3 326.485 0.193 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000126814518 436793178 /nfs/dbraw/zinc/79/31/78/436793178.db2.gz QBZUDFZPWQJLQP-SFHVURJKSA-N 1 3 348.491 0.627 20 0 ECADHO COC(=O)CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130687969 436840994 /nfs/dbraw/zinc/84/09/94/436840994.db2.gz VNYPLBLEZFWMLL-UHFFFAOYSA-N 1 3 327.469 0.966 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261915609 436895610 /nfs/dbraw/zinc/89/56/10/436895610.db2.gz YAPKRRLCSBWMSA-QGZVFWFLSA-N 1 3 335.448 0.997 20 0 ECADHO O=C(C[C@H]1CSCCN1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261913593 436896605 /nfs/dbraw/zinc/89/66/05/436896605.db2.gz UDOVRUNAONUOFD-WDEREUQCSA-N 1 3 340.415 0.034 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)N2CCC([N@H+](C)CCO)CC2)C1 ZINC000161840774 436898018 /nfs/dbraw/zinc/89/80/18/436898018.db2.gz ZLPAJOALXSWCRR-HNNXBMFYSA-N 1 3 326.485 0.816 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)N2CCC([N@@H+](C)CCO)CC2)C1 ZINC000161840774 436898022 /nfs/dbraw/zinc/89/80/22/436898022.db2.gz ZLPAJOALXSWCRR-HNNXBMFYSA-N 1 3 326.485 0.816 20 0 ECADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164268156 436931163 /nfs/dbraw/zinc/93/11/63/436931163.db2.gz YMGGMEKNERGIRP-ZACQAIPSSA-N 1 3 332.496 0.917 20 0 ECADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164268156 436931167 /nfs/dbraw/zinc/93/11/67/436931167.db2.gz YMGGMEKNERGIRP-ZACQAIPSSA-N 1 3 332.496 0.917 20 0 ECADHO O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262416362 436931590 /nfs/dbraw/zinc/93/15/90/436931590.db2.gz PZGLMOWZZGKZJH-KURKYZTESA-N 1 3 347.459 0.271 20 0 ECADHO N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000296420709 436991431 /nfs/dbraw/zinc/99/14/31/436991431.db2.gz MOPLKOLJHMVJCG-INIZCTEOSA-N 1 3 325.416 1.000 20 0 ECADHO CCN(CCO)CCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276299588 437086300 /nfs/dbraw/zinc/08/63/00/437086300.db2.gz QQCPSXOCJPBEGV-UHFFFAOYSA-N 1 3 336.480 0.904 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000331484915 437103401 /nfs/dbraw/zinc/10/34/01/437103401.db2.gz IONFZZGLLDVGFF-ARFHVFGLSA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000331484915 437103402 /nfs/dbraw/zinc/10/34/02/437103402.db2.gz IONFZZGLLDVGFF-ARFHVFGLSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000331674355 437141700 /nfs/dbraw/zinc/14/17/00/437141700.db2.gz SGZCSDMUMBNXPC-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000331582255 437125102 /nfs/dbraw/zinc/12/51/02/437125102.db2.gz LXRLAAQURCQUPH-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000331582255 437125107 /nfs/dbraw/zinc/12/51/07/437125107.db2.gz LXRLAAQURCQUPH-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CCC1 ZINC000287540524 437202364 /nfs/dbraw/zinc/20/23/64/437202364.db2.gz AJUUUJOENLZJGV-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000332646191 437238961 /nfs/dbraw/zinc/23/89/61/437238961.db2.gz SQTHVYKPNXDNOY-NUEKZKHPSA-N 1 3 336.480 0.657 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000332647336 437239362 /nfs/dbraw/zinc/23/93/62/437239362.db2.gz STTYVVADDYENDP-KLHDSHLOSA-N 1 3 336.480 0.515 20 0 ECADHO COC(=O)CNC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393261 437262188 /nfs/dbraw/zinc/26/21/88/437262188.db2.gz MURMLYPYNIMRRA-UHFFFAOYSA-N 1 3 348.447 0.909 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000339580442 437474239 /nfs/dbraw/zinc/47/42/39/437474239.db2.gz HPLCAXBBUCUICS-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000339631487 437480926 /nfs/dbraw/zinc/48/09/26/437480926.db2.gz JVHOPDCCACTVFC-GOEBONIOSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000185824138 437453628 /nfs/dbraw/zinc/45/36/28/437453628.db2.gz YPYBYPGURHFZLP-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000185824138 437453631 /nfs/dbraw/zinc/45/36/31/437453631.db2.gz YPYBYPGURHFZLP-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)N1CCOCC1 ZINC000339703290 437500435 /nfs/dbraw/zinc/50/04/35/437500435.db2.gz ZOJZGDFWBFXFFX-SJORKVTESA-N 1 3 340.512 0.582 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)N1CCOCC1 ZINC000339703290 437500437 /nfs/dbraw/zinc/50/04/37/437500437.db2.gz ZOJZGDFWBFXFFX-SJORKVTESA-N 1 3 340.512 0.582 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000339951761 437528447 /nfs/dbraw/zinc/52/84/47/437528447.db2.gz ZQNVMDZENNNCAB-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)NC1CCN(C2CC2)CC1)C1CCCC1 ZINC000339965757 437531100 /nfs/dbraw/zinc/53/11/00/437531100.db2.gz LONDUENIGQMSGU-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)NC1CCN(C2CC2)CC1)C1CCCC1 ZINC000339965757 437531105 /nfs/dbraw/zinc/53/11/05/437531105.db2.gz LONDUENIGQMSGU-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000360168866 437544335 /nfs/dbraw/zinc/54/43/35/437544335.db2.gz BFYBMWXUYCBVIG-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000360168866 437544340 /nfs/dbraw/zinc/54/43/40/437544340.db2.gz BFYBMWXUYCBVIG-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000360171687 437544976 /nfs/dbraw/zinc/54/49/76/437544976.db2.gz PNNFADVYCPEHML-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000360171687 437544981 /nfs/dbraw/zinc/54/49/81/437544981.db2.gz PNNFADVYCPEHML-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CN(C)C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(F)cc1 ZINC000360206863 437556693 /nfs/dbraw/zinc/55/66/93/437556693.db2.gz CKFGHPAPSKNDBK-DLBZAZTESA-N 1 3 334.439 0.935 20 0 ECADHO CN(C)C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccc(F)cc1 ZINC000360206863 437556698 /nfs/dbraw/zinc/55/66/98/437556698.db2.gz CKFGHPAPSKNDBK-DLBZAZTESA-N 1 3 334.439 0.935 20 0 ECADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000360219912 437558049 /nfs/dbraw/zinc/55/80/49/437558049.db2.gz XATRZKYTLPCJMG-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000360219912 437558054 /nfs/dbraw/zinc/55/80/54/437558054.db2.gz XATRZKYTLPCJMG-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCN(C)C)C[C@@H]1C ZINC000360278726 437573437 /nfs/dbraw/zinc/57/34/37/437573437.db2.gz KSYCSWIFEOXHHG-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCN(C)C)C[C@@H]1C ZINC000360278726 437573440 /nfs/dbraw/zinc/57/34/40/437573440.db2.gz KSYCSWIFEOXHHG-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000343837219 437669467 /nfs/dbraw/zinc/66/94/67/437669467.db2.gz SAKSKEZMUMGZNB-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000344028200 437720713 /nfs/dbraw/zinc/72/07/13/437720713.db2.gz MIBAJLXYUYNHEG-HZPDHXFCSA-N 1 3 328.501 0.438 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000344001128 437717293 /nfs/dbraw/zinc/71/72/93/437717293.db2.gz WQIUQNBYYUKJNW-RBSFLKMASA-N 1 3 332.514 0.577 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000344001128 437717296 /nfs/dbraw/zinc/71/72/96/437717296.db2.gz WQIUQNBYYUKJNW-RBSFLKMASA-N 1 3 332.514 0.577 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)CN2CCOCC2)C1 ZINC000355729813 437726984 /nfs/dbraw/zinc/72/69/84/437726984.db2.gz GIDTYKILJYWGPN-DLBZAZTESA-N 1 3 329.485 0.112 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)CN2CCOCC2)C1 ZINC000355729819 437727307 /nfs/dbraw/zinc/72/73/07/437727307.db2.gz GIDTYKILJYWGPN-IRXDYDNUSA-N 1 3 329.485 0.112 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CC1CCN(C)CC1)C[NH+]1CCCC1 ZINC000340771944 437727867 /nfs/dbraw/zinc/72/78/67/437727867.db2.gz JAARGQVQFBCCOY-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000423743465 437820404 /nfs/dbraw/zinc/82/04/04/437820404.db2.gz MJONUEQYRZRINO-JKSUJKDBSA-N 1 3 340.537 0.710 20 0 ECADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000423743465 437820409 /nfs/dbraw/zinc/82/04/09/437820409.db2.gz MJONUEQYRZRINO-JKSUJKDBSA-N 1 3 340.537 0.710 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1=O ZINC000363302222 437779990 /nfs/dbraw/zinc/77/99/90/437779990.db2.gz GOBKYSXVMXEPHM-QZWWFDLISA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1=O ZINC000363302222 437779994 /nfs/dbraw/zinc/77/99/94/437779994.db2.gz GOBKYSXVMXEPHM-QZWWFDLISA-N 1 3 348.491 0.339 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC000370412869 437780221 /nfs/dbraw/zinc/78/02/21/437780221.db2.gz BOFBWIHLPBEIAD-QGZVFWFLSA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000356532742 437782157 /nfs/dbraw/zinc/78/21/57/437782157.db2.gz SWTMKZNAEIJBQL-BZUAXINKSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000356532742 437782162 /nfs/dbraw/zinc/78/21/62/437782162.db2.gz SWTMKZNAEIJBQL-BZUAXINKSA-N 1 3 338.496 0.822 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415416743 437798192 /nfs/dbraw/zinc/79/81/92/437798192.db2.gz NXYOLRQOFBEHFF-CYBMUJFWSA-N 1 3 336.436 0.537 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423674594 437798959 /nfs/dbraw/zinc/79/89/59/437798959.db2.gz DIOPULCUSYJIJO-UHFFFAOYSA-N 1 3 332.448 0.528 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1=O ZINC000365228343 437878349 /nfs/dbraw/zinc/87/83/49/437878349.db2.gz TXMUZSYFDQHWOW-QBPKDAKJSA-N 1 3 348.491 0.530 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415670614 437838558 /nfs/dbraw/zinc/83/85/58/437838558.db2.gz HYSQXTQKGBQUOJ-GASCZTMLSA-N 1 3 330.432 0.673 20 0 ECADHO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371302030 437913756 /nfs/dbraw/zinc/91/37/56/437913756.db2.gz IGVYFYWYSKCUHZ-HZPDHXFCSA-N 1 3 346.541 0.274 20 0 ECADHO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371302030 437913761 /nfs/dbraw/zinc/91/37/61/437913761.db2.gz IGVYFYWYSKCUHZ-HZPDHXFCSA-N 1 3 346.541 0.274 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000357107867 437916292 /nfs/dbraw/zinc/91/62/92/437916292.db2.gz DSXUJFUVBRXDJI-IRXDYDNUSA-N 1 3 340.512 0.630 20 0 ECADHO C[C@H]1CC2(CN1CC(=O)NCCCN1CCCC1=O)CC[NH2+]CC2 ZINC000424287668 437922146 /nfs/dbraw/zinc/92/21/46/437922146.db2.gz JMFLTCFDGWRBOP-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO CN(C)CCn1ccc(NC(=O)Nc2ccc(OCC[NH3+])cc2)n1 ZINC000415944881 437881642 /nfs/dbraw/zinc/88/16/42/437881642.db2.gz JUCMLGCJBURFCS-UHFFFAOYSA-N 1 3 332.408 1.426 20 0 ECADHO [NH3+]Cc1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000415967291 437882986 /nfs/dbraw/zinc/88/29/86/437882986.db2.gz BLDLOJATVBQMTH-UHFFFAOYSA-N 1 3 345.447 0.917 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000342022468 437944491 /nfs/dbraw/zinc/94/44/91/437944491.db2.gz NWQVLAWHWCVXHY-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC[NH+](CC)CCOC1CCN(CCCS(=O)(=O)NC)CC1 ZINC000342076280 437960889 /nfs/dbraw/zinc/96/08/89/437960889.db2.gz MWMWBNOESJPSGY-UHFFFAOYSA-N 1 3 335.514 0.749 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000417063688 438018395 /nfs/dbraw/zinc/01/83/95/438018395.db2.gz IWWIBIBNRFGJMI-SFHVURJKSA-N 1 3 345.491 0.937 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417361611 438041236 /nfs/dbraw/zinc/04/12/36/438041236.db2.gz COSBWGICYXQDGY-HNNXBMFYSA-N 1 3 334.468 0.488 20 0 ECADHO [NH3+]C[C@@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000417366726 438044600 /nfs/dbraw/zinc/04/46/00/438044600.db2.gz KWIRKDLBGUFSRP-QGZVFWFLSA-N 1 3 346.479 0.630 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417431087 438048959 /nfs/dbraw/zinc/04/89/59/438048959.db2.gz QNFFEJUGCLMKMI-GJZGRUSLSA-N 1 3 339.484 0.228 20 0 ECADHO CN(C)[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416798270 437994639 /nfs/dbraw/zinc/99/46/39/437994639.db2.gz BVWPLNGWQFRJJZ-ROUUACIJSA-N 1 3 345.491 0.978 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CCC[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000348766719 438094861 /nfs/dbraw/zinc/09/48/61/438094861.db2.gz UKZMLVKCJUWHOX-HNNXBMFYSA-N 1 3 336.480 0.697 20 0 ECADHO COC1CCN(C2(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)CCCC2)CC1 ZINC000357935989 438103405 /nfs/dbraw/zinc/10/34/05/438103405.db2.gz VKDCPGRSYKYISC-ZFWWWQNUSA-N 1 3 325.453 0.249 20 0 ECADHO CCNc1nc(NC[C@](C)(O)C[NH+](C)C)nc(NC(C)(C)C)n1 ZINC000342803203 438064610 /nfs/dbraw/zinc/06/46/10/438064610.db2.gz VUQAAHILGZADKE-HNNXBMFYSA-N 1 3 325.461 0.082 20 0 ECADHO COC1CCN(C2(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CCCC2)CC1 ZINC000357935978 438103920 /nfs/dbraw/zinc/10/39/20/438103920.db2.gz VKDCPGRSYKYISC-DZGCQCFKSA-N 1 3 325.453 0.249 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000417752131 438074118 /nfs/dbraw/zinc/07/41/18/438074118.db2.gz MFJZGLUCVPTYIO-JKSUJKDBSA-N 1 3 327.517 0.885 20 0 ECADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])CN1CCN(C)CC1 ZINC000417754548 438075914 /nfs/dbraw/zinc/07/59/14/438075914.db2.gz PSRIAPKEPCPHBX-OAGGEKHMSA-N 1 3 325.501 0.781 20 0 ECADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N(CC[NH3+])CCO)C1CC1 ZINC000418148127 438110849 /nfs/dbraw/zinc/11/08/49/438110849.db2.gz QUYBIBWQPRWXBB-KRWDZBQOSA-N 1 3 334.464 0.860 20 0 ECADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000418201170 438119633 /nfs/dbraw/zinc/11/96/33/438119633.db2.gz ZQHJTKFDUINAOW-UONOGXRCSA-N 1 3 335.452 0.914 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418207999 438119722 /nfs/dbraw/zinc/11/97/22/438119722.db2.gz PZWLZWHYRZAYCD-WDEREUQCSA-N 1 3 325.379 0.072 20 0 ECADHO C[NH2+]CCCNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418276459 438123772 /nfs/dbraw/zinc/12/37/72/438123772.db2.gz FPFKJUGATOIIIA-SFHVURJKSA-N 1 3 334.464 0.874 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)C(=O)NCCN(C)C ZINC000418358747 438134334 /nfs/dbraw/zinc/13/43/34/438134334.db2.gz ZKNSGAQGFZXYOH-GJZGRUSLSA-N 1 3 341.500 0.378 20 0 ECADHO C[C@@H]1CN(CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000430939131 438135254 /nfs/dbraw/zinc/13/52/54/438135254.db2.gz KGKGPFVQULWBDD-HZPDHXFCSA-N 1 3 331.464 0.789 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418369236 438136761 /nfs/dbraw/zinc/13/67/61/438136761.db2.gz NNEYBCKKFKSGRF-AEFFLSMTSA-N 1 3 332.448 0.675 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000431034841 438142879 /nfs/dbraw/zinc/14/28/79/438142879.db2.gz AJQMPEGBACFMOC-INIZCTEOSA-N 1 3 327.469 0.714 20 0 ECADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358254739 438188021 /nfs/dbraw/zinc/18/80/21/438188021.db2.gz PWZJIPJFCMIUFQ-FZKQIMNGSA-N 1 3 349.431 0.847 20 0 ECADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358254739 438188026 /nfs/dbraw/zinc/18/80/26/438188026.db2.gz PWZJIPJFCMIUFQ-FZKQIMNGSA-N 1 3 349.431 0.847 20 0 ECADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358254740 438188869 /nfs/dbraw/zinc/18/88/69/438188869.db2.gz PWZJIPJFCMIUFQ-SCLBCKFNSA-N 1 3 349.431 0.847 20 0 ECADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358254740 438188873 /nfs/dbraw/zinc/18/88/73/438188873.db2.gz PWZJIPJFCMIUFQ-SCLBCKFNSA-N 1 3 349.431 0.847 20 0 ECADHO CN(CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C1CC1 ZINC000431284855 438153987 /nfs/dbraw/zinc/15/39/87/438153987.db2.gz RPFGQHXFJAIJSH-UHFFFAOYSA-N 1 3 339.484 0.372 20 0 ECADHO C[C@H](C[NH3+])NC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000418511595 438155411 /nfs/dbraw/zinc/15/54/11/438155411.db2.gz JVXBNKLFIQHEIT-OAHLLOKOSA-N 1 3 349.479 0.806 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000418532108 438157523 /nfs/dbraw/zinc/15/75/23/438157523.db2.gz BVQDTVPJABTLRI-RDJZCZTQSA-N 1 3 326.485 0.768 20 0 ECADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418585697 438161702 /nfs/dbraw/zinc/16/17/02/438161702.db2.gz DTSQKZSNJWZKJL-KBPBESRZSA-N 1 3 333.436 0.920 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418595151 438163902 /nfs/dbraw/zinc/16/39/02/438163902.db2.gz WWGUWTLIVIBFEZ-HUUCEWRRSA-N 1 3 339.484 0.548 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000351007780 438247061 /nfs/dbraw/zinc/24/70/61/438247061.db2.gz PYTFBCPWNKDLBE-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000418849638 438216127 /nfs/dbraw/zinc/21/61/27/438216127.db2.gz DBZAZRMTOGCBDG-OAHLLOKOSA-N 1 3 332.448 0.273 20 0 ECADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)NC(C)(C)C ZINC000358405771 438219791 /nfs/dbraw/zinc/21/97/91/438219791.db2.gz DVVICPDBVSIURE-HNNXBMFYSA-N 1 3 328.501 0.269 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000418863156 438223893 /nfs/dbraw/zinc/22/38/93/438223893.db2.gz IRINTMYFNMHPLW-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](O)CN1CCN(C(=O)CCCN2CCC([NH3+])CC2)C[C@@H]1C ZINC000433134636 438228082 /nfs/dbraw/zinc/22/80/82/438228082.db2.gz GZOXXDLRSREREI-LSDHHAIUSA-N 1 3 326.485 0.103 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433147481 438228445 /nfs/dbraw/zinc/22/84/45/438228445.db2.gz COKRAYHLBKYMLV-QGZVFWFLSA-N 1 3 340.512 0.663 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000418875920 438230258 /nfs/dbraw/zinc/23/02/58/438230258.db2.gz LJGVHLJXZOUJNK-JKSUJKDBSA-N 1 3 332.448 0.083 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000350970842 438242784 /nfs/dbraw/zinc/24/27/84/438242784.db2.gz CZPCESBYGBGPCI-ZNMIVQPWSA-N 1 3 326.485 0.774 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418832489 438204901 /nfs/dbraw/zinc/20/49/01/438204901.db2.gz ZHWNMAKVUTYBMP-BEFAXECRSA-N 1 3 346.475 0.868 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000418941839 438260386 /nfs/dbraw/zinc/26/03/86/438260386.db2.gz IPDNZKAVEQERHQ-GOEBONIOSA-N 1 3 332.448 0.573 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418945745 438260652 /nfs/dbraw/zinc/26/06/52/438260652.db2.gz LUZDEVWJANGTHD-PVAVHDDUSA-N 1 3 346.475 0.867 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419027603 438296258 /nfs/dbraw/zinc/29/62/58/438296258.db2.gz OXZLEOPEMXKMKJ-FZKCQIBNSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419029293 438296338 /nfs/dbraw/zinc/29/63/38/438296338.db2.gz RMNNCPXTKYIDKD-KBPBESRZSA-N 1 3 326.485 0.713 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000368009152 438275138 /nfs/dbraw/zinc/27/51/38/438275138.db2.gz WQWXDKQJMSESTE-JYJNAYRXSA-N 1 3 349.431 0.537 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000351527237 438278282 /nfs/dbraw/zinc/27/82/82/438278282.db2.gz YYUCTYVGLLVSDG-DJIMGWMZSA-N 1 3 344.459 0.634 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419018815 438288136 /nfs/dbraw/zinc/28/81/36/438288136.db2.gz CORUFLNHUIQDAS-QGBVMSHASA-N 1 3 338.496 0.855 20 0 ECADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419020113 438289047 /nfs/dbraw/zinc/28/90/47/438289047.db2.gz RGUMHAHSSRWVEZ-AWEZNQCLSA-N 1 3 334.464 0.950 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000419021892 438290494 /nfs/dbraw/zinc/29/04/94/438290494.db2.gz HJPTZBHZPKCKHL-KFWWJZLASA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419026802 438295872 /nfs/dbraw/zinc/29/58/72/438295872.db2.gz NWARPJBZCQGGJB-UGUYLWEFSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000419098905 438319977 /nfs/dbraw/zinc/31/99/77/438319977.db2.gz CUWSBXCSNRZUQV-HOCLYGCPSA-N 1 3 346.475 0.867 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000419108085 438323506 /nfs/dbraw/zinc/32/35/06/438323506.db2.gz LOVNQFODMIWJSI-HNNXBMFYSA-N 1 3 346.475 0.834 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N3CCO[C@H](C[NH3+])C3)cc2)CC1 ZINC000368411445 438327152 /nfs/dbraw/zinc/32/71/52/438327152.db2.gz HSYQKEOVWIJCCH-QGZVFWFLSA-N 1 3 332.448 0.628 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)CN)[NH+]1CCCCCC1 ZINC000419125734 438334624 /nfs/dbraw/zinc/33/46/24/438334624.db2.gz KOKJUDACRGZCDB-CABCVRRESA-N 1 3 326.485 0.809 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000419142949 438345227 /nfs/dbraw/zinc/34/52/27/438345227.db2.gz DAFGXDDNZCBSGH-BZUAXINKSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419030589 438296975 /nfs/dbraw/zinc/29/69/75/438296975.db2.gz TYFUCGABPMHAKQ-NPJQDHAYSA-N 1 3 338.496 0.665 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)NCC[NH3+])c1cccc(OC)c1 ZINC000419082437 438315782 /nfs/dbraw/zinc/31/57/82/438315782.db2.gz PRRCNMQQVDPXFM-HNNXBMFYSA-N 1 3 336.436 0.269 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCN1C ZINC000420160829 438389941 /nfs/dbraw/zinc/38/99/41/438389941.db2.gz BPGYRZVPXVRUFP-KFWWJZLASA-N 1 3 338.496 0.822 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419143366 438347505 /nfs/dbraw/zinc/34/75/05/438347505.db2.gz WZGWHUVFSSBFNT-OAGGEKHMSA-N 1 3 332.448 0.792 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCCC[NH3+] ZINC000419170915 438349076 /nfs/dbraw/zinc/34/90/76/438349076.db2.gz SNWVSBXGKBVUQE-MRXNPFEDSA-N 1 3 334.464 0.724 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000419160983 438349311 /nfs/dbraw/zinc/34/93/11/438349311.db2.gz RBAPHBSJCFXYHM-CVEARBPZSA-N 1 3 338.496 0.681 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1=O ZINC000378181810 438358558 /nfs/dbraw/zinc/35/85/58/438358558.db2.gz HHRHKNCSSCWBBO-ARFHVFGLSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1=O ZINC000378181810 438358560 /nfs/dbraw/zinc/35/85/60/438358560.db2.gz HHRHKNCSSCWBBO-ARFHVFGLSA-N 1 3 336.480 0.339 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)CC1 ZINC000419699449 438370327 /nfs/dbraw/zinc/37/03/27/438370327.db2.gz RHMZGJKCZZULTN-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000352015784 438370494 /nfs/dbraw/zinc/37/04/94/438370494.db2.gz SBNCZYZXQZPGDR-NVXWUHKLSA-N 1 3 334.464 0.375 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419776464 438371626 /nfs/dbraw/zinc/37/16/26/438371626.db2.gz MDQPCYQAGUCXOX-ZNMIVQPWSA-N 1 3 338.496 0.857 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419776461 438371704 /nfs/dbraw/zinc/37/17/04/438371704.db2.gz MDQPCYQAGUCXOX-KFWWJZLASA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000419950179 438378677 /nfs/dbraw/zinc/37/86/77/438378677.db2.gz HYKILAHSSUCTCJ-CABCVRRESA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000419950179 438378682 /nfs/dbraw/zinc/37/86/82/438378682.db2.gz HYKILAHSSUCTCJ-CABCVRRESA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000352096945 438381317 /nfs/dbraw/zinc/38/13/17/438381317.db2.gz MGNHSRCXKNPWEG-INIZCTEOSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000352095980 438382416 /nfs/dbraw/zinc/38/24/16/438382416.db2.gz CNZZKZBBUHBAND-DOTOQJQBSA-N 1 3 334.464 0.375 20 0 ECADHO COCCCNC(=O)[C@H](C)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359221297 438382474 /nfs/dbraw/zinc/38/24/74/438382474.db2.gz OVSJRPNKHPKKKP-INIZCTEOSA-N 1 3 340.512 0.535 20 0 ECADHO C[NH2+]CCC1CCN(CC(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000389991234 438429810 /nfs/dbraw/zinc/42/98/10/438429810.db2.gz FYRUCYTUBZWGTC-UHFFFAOYSA-N 1 3 325.453 0.720 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000359274638 438400131 /nfs/dbraw/zinc/40/01/31/438400131.db2.gz PBHAWIJEWFBWMU-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000359274638 438400134 /nfs/dbraw/zinc/40/01/34/438400134.db2.gz PBHAWIJEWFBWMU-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO Cn1cc(S(=O)(=O)NCCN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000420338938 438401358 /nfs/dbraw/zinc/40/13/58/438401358.db2.gz YINMGXPEPITMIE-KBPBESRZSA-N 1 3 341.481 0.020 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000359278942 438404348 /nfs/dbraw/zinc/40/43/48/438404348.db2.gz VHULKZOFPRFXGG-RRFJBIMHSA-N 1 3 326.485 0.774 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000359278942 438404353 /nfs/dbraw/zinc/40/43/53/438404353.db2.gz VHULKZOFPRFXGG-RRFJBIMHSA-N 1 3 326.485 0.774 20 0 ECADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000383504742 438415562 /nfs/dbraw/zinc/41/55/62/438415562.db2.gz ZTRFBIMEDIAXFU-RBUKOAKNSA-N 1 3 333.476 0.791 20 0 ECADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000383504742 438415567 /nfs/dbraw/zinc/41/55/67/438415567.db2.gz ZTRFBIMEDIAXFU-RBUKOAKNSA-N 1 3 333.476 0.791 20 0 ECADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000383504741 438416117 /nfs/dbraw/zinc/41/61/17/438416117.db2.gz ZTRFBIMEDIAXFU-OALUTQOASA-N 1 3 333.476 0.791 20 0 ECADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000383504741 438416129 /nfs/dbraw/zinc/41/61/29/438416129.db2.gz ZTRFBIMEDIAXFU-OALUTQOASA-N 1 3 333.476 0.791 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000383348701 438416144 /nfs/dbraw/zinc/41/61/44/438416144.db2.gz NPGDNFYCRWAIPD-OAHLLOKOSA-N 1 3 328.420 0.489 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000352729764 438466700 /nfs/dbraw/zinc/46/67/00/438466700.db2.gz WPHJANLOHCWLGN-ZIAGYGMSSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@@H]1CCNC[C@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422722981 438603069 /nfs/dbraw/zinc/60/30/69/438603069.db2.gz ZHRKBILYKQLAHZ-IAGOWNOFSA-N 1 3 332.496 0.966 20 0 ECADHO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1S(N)(=O)=O ZINC000423018080 438629341 /nfs/dbraw/zinc/62/93/41/438629341.db2.gz QCCSDTDTQRWEBH-ZIAGYGMSSA-N 1 3 341.477 0.992 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC2CCCCC2)C[C@H]1[NH3+] ZINC000423178577 438647208 /nfs/dbraw/zinc/64/72/08/438647208.db2.gz BYCJSMGZWPRPII-GOEBONIOSA-N 1 3 338.496 0.763 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423212014 438648372 /nfs/dbraw/zinc/64/83/72/438648372.db2.gz LKZOWZVRMQCJGE-JKSUJKDBSA-N 1 3 336.480 0.389 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000423256999 438653592 /nfs/dbraw/zinc/65/35/92/438653592.db2.gz GZSGJXGZJXAHBL-QGZVFWFLSA-N 1 3 346.475 0.692 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000410842618 438664566 /nfs/dbraw/zinc/66/45/66/438664566.db2.gz KWXRENDGWABAJI-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000410842618 438664568 /nfs/dbraw/zinc/66/45/68/438664568.db2.gz KWXRENDGWABAJI-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423368343 438667138 /nfs/dbraw/zinc/66/71/38/438667138.db2.gz NCALBMPDMGOLDY-HOCLYGCPSA-N 1 3 348.447 0.380 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423374872 438668806 /nfs/dbraw/zinc/66/88/06/438668806.db2.gz UAXNWNXGNYENSG-KRWDZBQOSA-N 1 3 336.436 0.367 20 0 ECADHO FC(F)(F)[C@H](CN[C@@H](C1CC1)[C@@H]1CNCCO1)N1CC[NH2+]CC1 ZINC000423381398 438669454 /nfs/dbraw/zinc/66/94/54/438669454.db2.gz FNBGOZVGXPHSDJ-IHRRRGAJSA-N 1 3 336.402 0.179 20 0 ECADHO CC1[C@@H](C(=O)NC[C@@H]2CCCN2C)[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000449823306 438687450 /nfs/dbraw/zinc/68/74/50/438687450.db2.gz HBIJCIVGAMPIQP-CAOSSQGBSA-N 1 3 336.480 0.289 20 0 ECADHO CC1[C@@H](C(=O)NC[C@@H]2CCCN2C)[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000449823306 438687456 /nfs/dbraw/zinc/68/74/56/438687456.db2.gz HBIJCIVGAMPIQP-CAOSSQGBSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413534891 438693713 /nfs/dbraw/zinc/69/37/13/438693713.db2.gz DTKNOEQCHUMPFK-HNNXBMFYSA-N 1 3 341.500 0.032 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000454606573 438723404 /nfs/dbraw/zinc/72/34/04/438723404.db2.gz CNGWKLGOFUSFSX-YESZJQIVSA-N 1 3 337.512 0.606 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000454606573 438723407 /nfs/dbraw/zinc/72/34/07/438723407.db2.gz CNGWKLGOFUSFSX-YESZJQIVSA-N 1 3 337.512 0.606 20 0 ECADHO O=C1O[C@]2(CN1CN1CC[C@H](N3CC=CC3)C1)C[NH+]1CCC2CC1 ZINC000496009553 438737132 /nfs/dbraw/zinc/73/71/32/438737132.db2.gz IVWNWICKXLBAKT-WMZOPIPTSA-N 1 3 332.448 0.807 20 0 ECADHO CCOC[C@@H](O)CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000575248874 438743326 /nfs/dbraw/zinc/74/33/26/438743326.db2.gz WQHJVSGHGWFUAV-ROUUACIJSA-N 1 3 349.475 0.871 20 0 ECADHO CCOC[C@@H](O)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000575248874 438743328 /nfs/dbraw/zinc/74/33/28/438743328.db2.gz WQHJVSGHGWFUAV-ROUUACIJSA-N 1 3 349.475 0.871 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOCCOC)CC2)CC1 ZINC000553052094 438745275 /nfs/dbraw/zinc/74/52/75/438745275.db2.gz IICOTRPDFAJXBI-UHFFFAOYSA-N 1 3 341.496 0.962 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1CN1CCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000576814999 438800616 /nfs/dbraw/zinc/80/06/16/438800616.db2.gz PXEWGQZYFZBPNL-MAUKXSAKSA-N 1 3 334.464 0.285 20 0 ECADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)CN1CCOCC1 ZINC000576979632 438807019 /nfs/dbraw/zinc/80/70/19/438807019.db2.gz HGVWKZTTZNXPQW-SFHVURJKSA-N 1 3 334.464 0.581 20 0 ECADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000576412531 438782529 /nfs/dbraw/zinc/78/25/29/438782529.db2.gz XFTPTXHHIJBYNW-ZWKOTPCHSA-N 1 3 346.475 0.933 20 0 ECADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000576412531 438782531 /nfs/dbraw/zinc/78/25/31/438782531.db2.gz XFTPTXHHIJBYNW-ZWKOTPCHSA-N 1 3 346.475 0.933 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000514616113 438819042 /nfs/dbraw/zinc/81/90/42/438819042.db2.gz JHTNEOQUHSZELS-QGZVFWFLSA-N 1 3 346.475 0.488 20 0 ECADHO O=C(C(=O)N1CCCNCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000577214676 438824613 /nfs/dbraw/zinc/82/46/13/438824613.db2.gz ZJRVUKZAYRGVCA-GDBMZVCRSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(C(=O)N1CCCNCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000577214676 438824618 /nfs/dbraw/zinc/82/46/18/438824618.db2.gz ZJRVUKZAYRGVCA-GDBMZVCRSA-N 1 3 334.464 0.284 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000577475376 438843249 /nfs/dbraw/zinc/84/32/49/438843249.db2.gz UGNIFLJVADCVKU-GJZGRUSLSA-N 1 3 325.501 0.829 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595961884 438902527 /nfs/dbraw/zinc/90/25/27/438902527.db2.gz VYPXDIAXXVDYMQ-HOTGVXAUSA-N 1 3 349.431 0.150 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595961884 438902529 /nfs/dbraw/zinc/90/25/29/438902529.db2.gz VYPXDIAXXVDYMQ-HOTGVXAUSA-N 1 3 349.431 0.150 20 0 ECADHO CC(=O)NC1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000515534547 438875124 /nfs/dbraw/zinc/87/51/24/438875124.db2.gz CFGDULMPMPXJJO-UHFFFAOYSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC[C@H]1[NH3+] ZINC000578433750 438922149 /nfs/dbraw/zinc/92/21/49/438922149.db2.gz AAQGGADTDJHGBQ-GDBMZVCRSA-N 1 3 336.480 0.659 20 0 ECADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000516771371 438925196 /nfs/dbraw/zinc/92/51/96/438925196.db2.gz JXNGGEJNIKCDSK-SQWLQELKSA-N 1 3 332.452 0.586 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000516857009 438930782 /nfs/dbraw/zinc/93/07/82/438930782.db2.gz VGPQHODRUVJKAD-YXMSTPNBSA-N 1 3 336.480 0.419 20 0 ECADHO C[C@@H]1CCC[C@@](CNC[C@@H](O)CN2CCN(C)CC2)([NH+](C)C)C1 ZINC000565409050 438949932 /nfs/dbraw/zinc/94/99/32/438949932.db2.gz DZUDIPHEVOVFLL-KZNAEPCWSA-N 1 3 326.529 0.695 20 0 ECADHO C[C@@H]1CCC[C@@](C[NH2+]C[C@@H](O)CN2CCN(C)CC2)(N(C)C)C1 ZINC000565409050 438949935 /nfs/dbraw/zinc/94/99/35/438949935.db2.gz DZUDIPHEVOVFLL-KZNAEPCWSA-N 1 3 326.529 0.695 20 0 ECADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CNCCO2)Cc2ccccc2C1 ZINC000578863963 438961235 /nfs/dbraw/zinc/96/12/35/438961235.db2.gz DWETZBHLZFLZRG-INIZCTEOSA-N 1 3 332.448 0.373 20 0 ECADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000590980656 438973393 /nfs/dbraw/zinc/97/33/93/438973393.db2.gz ICXJYBAJKXVMSP-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000518464282 438999122 /nfs/dbraw/zinc/99/91/22/438999122.db2.gz FFJRZBLZAZDBLC-GOSISDBHSA-N 1 3 337.512 0.751 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000518464282 438999126 /nfs/dbraw/zinc/99/91/26/438999126.db2.gz FFJRZBLZAZDBLC-GOSISDBHSA-N 1 3 337.512 0.751 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000566228398 439029870 /nfs/dbraw/zinc/02/98/70/439029870.db2.gz OOOBHWWIUZMDIE-QWHCGFSZSA-N 1 3 336.436 0.808 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)CC2 ZINC000519364384 439030219 /nfs/dbraw/zinc/03/02/19/439030219.db2.gz SIZQJEBISNKFNY-LVQVYYBASA-N 1 3 336.480 0.574 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000519382662 439031507 /nfs/dbraw/zinc/03/15/07/439031507.db2.gz SNDKRXIQCSYGHB-FPCVCCKLSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000519538261 439039170 /nfs/dbraw/zinc/03/91/70/439039170.db2.gz HFPCPSFCZMIQTR-MDZRGWNJSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000520772109 439093906 /nfs/dbraw/zinc/09/39/06/439093906.db2.gz RJDBGZAPWIYSGH-NVXWUHKLSA-N 1 3 333.480 0.791 20 0 ECADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000566854631 439095283 /nfs/dbraw/zinc/09/52/83/439095283.db2.gz DHXHIYATGIUCHS-GVDBMIGSSA-N 1 3 349.479 0.466 20 0 ECADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)NC1C[NH2+]C1 ZINC000566961728 439101797 /nfs/dbraw/zinc/10/17/97/439101797.db2.gz KYNTUUAKCHOOLT-UHFFFAOYSA-N 1 3 348.472 0.304 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000602522577 439105225 /nfs/dbraw/zinc/10/52/25/439105225.db2.gz DUXMWKVVKFLOLA-YESZJQIVSA-N 1 3 342.443 0.279 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000602522577 439105229 /nfs/dbraw/zinc/10/52/29/439105229.db2.gz DUXMWKVVKFLOLA-YESZJQIVSA-N 1 3 342.443 0.279 20 0 ECADHO [NH3+][C@H]1CCC[C@@H](NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000580658115 439116360 /nfs/dbraw/zinc/11/63/60/439116360.db2.gz BXLJTPHQFVCVBH-LSDHHAIUSA-N 1 3 332.452 0.375 20 0 ECADHO N[C@H]1CCC[C@@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000580658115 439116364 /nfs/dbraw/zinc/11/63/64/439116364.db2.gz BXLJTPHQFVCVBH-LSDHHAIUSA-N 1 3 332.452 0.375 20 0 ECADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000520375605 439081524 /nfs/dbraw/zinc/08/15/24/439081524.db2.gz UDXDXTANJLLKLO-WCVJEAGWSA-N 1 3 336.480 0.481 20 0 ECADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000520375602 439081787 /nfs/dbraw/zinc/08/17/87/439081787.db2.gz UDXDXTANJLLKLO-FPCVCCKLSA-N 1 3 336.480 0.481 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000581068379 439166713 /nfs/dbraw/zinc/16/67/13/439166713.db2.gz BEKLSWGAGIHHEH-AWEZNQCLSA-N 1 3 341.500 0.521 20 0 ECADHO NCc1cn([C@@H]2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000580774797 439128921 /nfs/dbraw/zinc/12/89/21/439128921.db2.gz USWDIZFBRJBXAP-SQNIBIBYSA-N 1 3 344.463 0.305 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)CC1=O ZINC000567286190 439131151 /nfs/dbraw/zinc/13/11/51/439131151.db2.gz DFFQOMMWKUTPGO-XUWVNRHRSA-N 1 3 336.480 0.657 20 0 ECADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000567572299 439151530 /nfs/dbraw/zinc/15/15/30/439151530.db2.gz PURMUWPZVQHBEL-QXSJWSMHSA-N 1 3 325.501 0.637 20 0 ECADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000567572299 439151531 /nfs/dbraw/zinc/15/15/31/439151531.db2.gz PURMUWPZVQHBEL-QXSJWSMHSA-N 1 3 325.501 0.637 20 0 ECADHO O=C(CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)N1CCNCC1 ZINC000567639148 439158744 /nfs/dbraw/zinc/15/87/44/439158744.db2.gz ZQDPLXQOROAVKS-CEXWTWQISA-N 1 3 342.487 0.918 20 0 ECADHO O=C(CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)N1CCNCC1 ZINC000567639148 439158747 /nfs/dbraw/zinc/15/87/47/439158747.db2.gz ZQDPLXQOROAVKS-CEXWTWQISA-N 1 3 342.487 0.918 20 0 ECADHO COC[C@@]1(C(=O)NCCCN2CCC(C(=O)OC)CC2)CC[NH2+]C1 ZINC000567796220 439178368 /nfs/dbraw/zinc/17/83/68/439178368.db2.gz LIQJQODQKORIAL-QGZVFWFLSA-N 1 3 341.452 0.004 20 0 ECADHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000568089195 439212796 /nfs/dbraw/zinc/21/27/96/439212796.db2.gz LEHASBIQOVOPTF-FJIDUMEYSA-N 1 3 343.512 0.139 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)C2)CC1 ZINC000568758776 439274529 /nfs/dbraw/zinc/27/45/29/439274529.db2.gz RSNHVCKUDXVAHR-CABCVRRESA-N 1 3 326.510 0.320 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000568372884 439240893 /nfs/dbraw/zinc/24/08/93/439240893.db2.gz BUJXAKAVCXZATA-UHFFFAOYSA-N 1 3 346.475 0.667 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000568871080 439284311 /nfs/dbraw/zinc/28/43/11/439284311.db2.gz BILXOOALRFJJAA-MRXNPFEDSA-N 1 3 344.525 0.834 20 0 ECADHO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000582183878 439301467 /nfs/dbraw/zinc/30/14/67/439301467.db2.gz DBZKLVHDYIHKBX-LBPRGKRZSA-N 1 3 335.408 0.052 20 0 ECADHO CCN1CCN(c2ccc(CNC[C@@H](O)C[N@H+](C)C3CC3)cn2)CC1 ZINC000569095586 439305416 /nfs/dbraw/zinc/30/54/16/439305416.db2.gz SQARTFUZBKPUCT-GOSISDBHSA-N 1 3 347.507 0.768 20 0 ECADHO CCN1CCN(c2ccc(CNC[C@@H](O)C[N@@H+](C)C3CC3)cn2)CC1 ZINC000569095586 439305423 /nfs/dbraw/zinc/30/54/23/439305423.db2.gz SQARTFUZBKPUCT-GOSISDBHSA-N 1 3 347.507 0.768 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H](C[NH3+])c3ccccc3)C2)nn1 ZINC000569102459 439305943 /nfs/dbraw/zinc/30/59/43/439305943.db2.gz QGLMKGMLVAFNCG-HOTGVXAUSA-N 1 3 328.420 0.643 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000582715639 439369279 /nfs/dbraw/zinc/36/92/79/439369279.db2.gz BIISVEKCGFYHMS-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000582715638 439370587 /nfs/dbraw/zinc/37/05/87/439370587.db2.gz BIISVEKCGFYHMS-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000582719665 439370895 /nfs/dbraw/zinc/37/08/95/439370895.db2.gz AVUAUVGHRBRRNF-WBVHZDCISA-N 1 3 333.480 0.690 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(CO)CCOC3)CC2)CC1 ZINC000569986999 439379444 /nfs/dbraw/zinc/37/94/44/439379444.db2.gz MLMKXQABKZIPRH-GOSISDBHSA-N 1 3 339.480 0.450 20 0 ECADHO CC(C)[C@@H]1CNCCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000529291330 439400844 /nfs/dbraw/zinc/40/08/44/439400844.db2.gz XABVFSMQGNLAQB-INIZCTEOSA-N 1 3 325.501 0.652 20 0 ECADHO C[N@H+](C[C@H](O)CNC[C@H](CO)Cc1ccncc1Cl)C1CC1 ZINC000570213015 439403769 /nfs/dbraw/zinc/40/37/69/439403769.db2.gz TUAZSXNYBIHNLH-IUODEOHRSA-N 1 3 327.856 0.931 20 0 ECADHO C[N@@H+](C[C@H](O)CNC[C@H](CO)Cc1ccncc1Cl)C1CC1 ZINC000570213015 439403775 /nfs/dbraw/zinc/40/37/75/439403775.db2.gz TUAZSXNYBIHNLH-IUODEOHRSA-N 1 3 327.856 0.931 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1F)CCNC2 ZINC000570280956 439406664 /nfs/dbraw/zinc/40/66/64/439406664.db2.gz UJZMHJWDMZXACR-AWEZNQCLSA-N 1 3 334.395 0.668 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)CCN1Cc1ccccc1 ZINC000583430519 439461669 /nfs/dbraw/zinc/46/16/69/439461669.db2.gz DVMKPHNHJJYIMT-NXHRZFHOSA-N 1 3 345.491 0.852 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000583430874 439462212 /nfs/dbraw/zinc/46/22/12/439462212.db2.gz YCTOQSKCOJIMCF-HRCADAONSA-N 1 3 325.501 0.509 20 0 ECADHO CCN(C)C[C@H](O)C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000570939160 439463278 /nfs/dbraw/zinc/46/32/78/439463278.db2.gz DIQOKWXMZNSRLW-KRWDZBQOSA-N 1 3 340.512 0.175 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000584047361 439543359 /nfs/dbraw/zinc/54/33/59/439543359.db2.gz OFEHJQCTXYMOQQ-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)C/C=C\C(=O)N[C@@H](CNC(=O)/C=C\C[NH+](C)C)C(C)(C)C ZINC000492652605 439555028 /nfs/dbraw/zinc/55/50/28/439555028.db2.gz VJXNFRWWUGEYDH-TYWGFVBYSA-N 1 3 338.496 0.869 20 0 ECADHO CN(C)C/C=C\C(=O)NC[C@H](NC(=O)/C=C\C[NH+](C)C)C(C)(C)C ZINC000492652605 439555032 /nfs/dbraw/zinc/55/50/32/439555032.db2.gz VJXNFRWWUGEYDH-TYWGFVBYSA-N 1 3 338.496 0.869 20 0 ECADHO CN(C)C/C=C\C(=O)Nc1cc(CNC(=O)/C=C/C[NH+](C)C)ccn1 ZINC000492672484 439557657 /nfs/dbraw/zinc/55/76/57/439557657.db2.gz DEFBEVMBEDWLHD-YMBWGVAGSA-N 1 3 345.447 0.872 20 0 ECADHO CN(C)C/C=C/C(=O)NCc1ccnc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000492672484 439557660 /nfs/dbraw/zinc/55/76/60/439557660.db2.gz DEFBEVMBEDWLHD-YMBWGVAGSA-N 1 3 345.447 0.872 20 0 ECADHO CN(C)C1(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)Cc2ccccc2C1 ZINC000584221540 439563478 /nfs/dbraw/zinc/56/34/78/439563478.db2.gz RVHYONCUHMFVHA-KRWDZBQOSA-N 1 3 345.491 0.288 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2)C1 ZINC000572510640 439588776 /nfs/dbraw/zinc/58/87/76/439588776.db2.gz DTERPTMYVSBOMT-ZWKOTPCHSA-N 1 3 334.464 0.143 20 0 ECADHO CCNC(=O)CCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000600078470 439609754 /nfs/dbraw/zinc/60/97/54/439609754.db2.gz IRQJWRMVCNSCPR-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CCNC(=O)CCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000600078470 439609761 /nfs/dbraw/zinc/60/97/61/439609761.db2.gz IRQJWRMVCNSCPR-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOCCO)CC2)CC1 ZINC000584729792 439612194 /nfs/dbraw/zinc/61/21/94/439612194.db2.gz LCPRQDIEGHEPTI-UHFFFAOYSA-N 1 3 327.469 0.308 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCOCCO)CC2)CC1 ZINC000572854796 439613293 /nfs/dbraw/zinc/61/32/93/439613293.db2.gz NQYAPHZOIWAZLB-UHFFFAOYSA-N 1 3 341.496 0.650 20 0 ECADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573724478 439663752 /nfs/dbraw/zinc/66/37/52/439663752.db2.gz VSPGMURZMYJKNU-QLFBSQMISA-N 1 3 325.453 0.990 20 0 ECADHO CC(C)([NH3+])CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916609 439746234 /nfs/dbraw/zinc/74/62/34/439746234.db2.gz BNFUIVZPAVRWJI-CYBMUJFWSA-N 1 3 349.483 0.446 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[C@H]1N1CCN(C)CC1 ZINC000612980280 439747967 /nfs/dbraw/zinc/74/79/67/439747967.db2.gz OLNKPDVJMSSGHK-BRWVUGGUSA-N 1 3 349.523 0.796 20 0 ECADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613996860 439767473 /nfs/dbraw/zinc/76/74/73/439767473.db2.gz VKAPEPGVYFVOHK-NXWXRZEISA-N 1 3 342.487 0.917 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000612545085 439725849 /nfs/dbraw/zinc/72/58/49/439725849.db2.gz IQWBMJCLLZQWGV-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000612547041 439727364 /nfs/dbraw/zinc/72/73/64/439727364.db2.gz YMDKEDVLXAJYGQ-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000612547041 439727367 /nfs/dbraw/zinc/72/73/67/439727367.db2.gz YMDKEDVLXAJYGQ-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000612550991 439728497 /nfs/dbraw/zinc/72/84/97/439728497.db2.gz KPJNPGNGKXZAIV-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CCN(CC)C1 ZINC000611848871 439733113 /nfs/dbraw/zinc/73/31/13/439733113.db2.gz IOJHMTJMCFYHHL-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)CC[N@@H+]1C ZINC000652460978 439859747 /nfs/dbraw/zinc/85/97/47/439859747.db2.gz LDKNABXIDAGNGL-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)CC[N@H+]1C ZINC000652460978 439859752 /nfs/dbraw/zinc/85/97/52/439859752.db2.gz LDKNABXIDAGNGL-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662756475 439878072 /nfs/dbraw/zinc/87/80/72/439878072.db2.gz IBDTWGZXYCPZKV-ZWKOTPCHSA-N 1 3 346.475 0.414 20 0 ECADHO C[C@H](CC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000662659166 439837536 /nfs/dbraw/zinc/83/75/36/439837536.db2.gz ISMALFQUJWCJHR-CABCVRRESA-N 1 3 326.485 0.491 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000662684525 439845680 /nfs/dbraw/zinc/84/56/80/439845680.db2.gz DMHHCGRIDYTVII-KGLIPLIRSA-N 1 3 327.494 0.828 20 0 ECADHO CN(C(=O)CNC[C@@H]1CCCO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900725 439931599 /nfs/dbraw/zinc/93/15/99/439931599.db2.gz PAQMSVFDIFFAFT-IRXDYDNUSA-N 1 3 338.496 0.382 20 0 ECADHO CN(C(=O)CNC[C@@H]1CCCO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900725 439931607 /nfs/dbraw/zinc/93/16/07/439931607.db2.gz PAQMSVFDIFFAFT-IRXDYDNUSA-N 1 3 338.496 0.382 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626799890 439887499 /nfs/dbraw/zinc/88/74/99/439887499.db2.gz GZOIXGZWIOUXQK-ZDUSSCGKSA-N 1 3 348.447 0.954 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626805845 439889837 /nfs/dbraw/zinc/88/98/37/439889837.db2.gz VYDACYPIHHQJKH-UHFFFAOYSA-N 1 3 334.420 0.564 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626805845 439889845 /nfs/dbraw/zinc/88/98/45/439889845.db2.gz VYDACYPIHHQJKH-UHFFFAOYSA-N 1 3 334.420 0.564 20 0 ECADHO O=C(NCCN1CC[C@@H](O)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000636475653 439894156 /nfs/dbraw/zinc/89/41/56/439894156.db2.gz ZLEPKSSMTREZCV-IAGOWNOFSA-N 1 3 332.448 0.627 20 0 ECADHO O=C(NCCN1CC[C@@H](O)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000636475653 439894163 /nfs/dbraw/zinc/89/41/63/439894163.db2.gz ZLEPKSSMTREZCV-IAGOWNOFSA-N 1 3 332.448 0.627 20 0 ECADHO Cc1cc(O)cc(=O)n1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505814 439898374 /nfs/dbraw/zinc/89/83/74/439898374.db2.gz QXFNVHYJPGECHL-ZDUSSCGKSA-N 1 3 338.452 0.251 20 0 ECADHO Cc1cc(O)cc(=O)n1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505814 439898379 /nfs/dbraw/zinc/89/83/79/439898379.db2.gz QXFNVHYJPGECHL-ZDUSSCGKSA-N 1 3 338.452 0.251 20 0 ECADHO CCCN1C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000617502541 439898423 /nfs/dbraw/zinc/89/84/23/439898423.db2.gz SZKIBZDTFLDBPL-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN1C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000617502541 439898429 /nfs/dbraw/zinc/89/84/29/439898429.db2.gz SZKIBZDTFLDBPL-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO COc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)nn1C ZINC000617505654 439900579 /nfs/dbraw/zinc/90/05/79/439900579.db2.gz LRXFOSRBFZXYHK-LBPRGKRZSA-N 1 3 325.457 0.739 20 0 ECADHO COc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)nn1C ZINC000617505654 439900585 /nfs/dbraw/zinc/90/05/85/439900585.db2.gz LRXFOSRBFZXYHK-LBPRGKRZSA-N 1 3 325.457 0.739 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)C2)nn1 ZINC000662813567 439901218 /nfs/dbraw/zinc/90/12/18/439901218.db2.gz KXDRGZXIJZVSCN-DGCLKSJQSA-N 1 3 346.357 0.442 20 0 ECADHO CC(C)(CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CCCCC1 ZINC000652666536 439907551 /nfs/dbraw/zinc/90/75/51/439907551.db2.gz KWZMFOBPVLJSQD-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673335 439912110 /nfs/dbraw/zinc/91/21/10/439912110.db2.gz LWANWXARJACAIU-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CC[NH+](CCCCNC(=O)N2CCN(C)C(C)(C)C2)CC1 ZINC000641799208 439918503 /nfs/dbraw/zinc/91/85/03/439918503.db2.gz OFBSCFGPSVKXPC-UHFFFAOYSA-N 1 3 325.501 0.750 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCSC1 ZINC000652685510 439918818 /nfs/dbraw/zinc/91/88/18/439918818.db2.gz NBEHSLLNGSYENQ-MRXNPFEDSA-N 1 3 342.509 0.127 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652692666 439922557 /nfs/dbraw/zinc/92/25/57/439922557.db2.gz AHOYLINJMFRMQZ-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642330566 439973997 /nfs/dbraw/zinc/97/39/97/439973997.db2.gz WWOKYECDXZDMTM-QKPAOTATSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000626975012 439976394 /nfs/dbraw/zinc/97/63/94/439976394.db2.gz ZVNZTRWBULDHIW-DZGCQCFKSA-N 1 3 339.484 0.369 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000631916589 439978240 /nfs/dbraw/zinc/97/82/40/439978240.db2.gz ZBMWOPXBMFUBME-OAHLLOKOSA-N 1 3 330.498 0.475 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626986587 439981040 /nfs/dbraw/zinc/98/10/40/439981040.db2.gz KJRWEZYPJUKGOH-OWCLPIDISA-N 1 3 325.501 0.700 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000652719575 439940658 /nfs/dbraw/zinc/94/06/58/439940658.db2.gz FQOLFGMQVLDBIT-UHFFFAOYSA-N 1 3 334.464 0.821 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCCC1 ZINC000642084398 439945800 /nfs/dbraw/zinc/94/58/00/439945800.db2.gz SBVMAZQUKTXWPK-CABCVRRESA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000642094832 439949262 /nfs/dbraw/zinc/94/92/62/439949262.db2.gz ALFSYGWZVMGGRR-DLBZAZTESA-N 1 3 346.475 0.534 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642104426 439949511 /nfs/dbraw/zinc/94/95/11/439949511.db2.gz JYNXKZAMRGUAII-SJORKVTESA-N 1 3 346.475 0.534 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000642094834 439949771 /nfs/dbraw/zinc/94/97/71/439949771.db2.gz ALFSYGWZVMGGRR-IRXDYDNUSA-N 1 3 346.475 0.534 20 0 ECADHO [NH3+]CC1(CC(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CC1 ZINC000663017426 439992991 /nfs/dbraw/zinc/99/29/91/439992991.db2.gz OMUMCSZUVWLGEQ-AWEZNQCLSA-N 1 3 346.479 0.654 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000627020370 439993235 /nfs/dbraw/zinc/99/32/35/439993235.db2.gz GXGHLEHDUZMOLA-OAHLLOKOSA-N 1 3 330.473 0.365 20 0 ECADHO C[C@@]1(C(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC[NH2+]1 ZINC000663018543 439993222 /nfs/dbraw/zinc/99/32/22/439993222.db2.gz QBFUILACJGIOGV-KSSFIOAISA-N 1 3 346.479 0.667 20 0 ECADHO COCC[NH2+]C1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631947630 440002054 /nfs/dbraw/zinc/00/20/54/440002054.db2.gz JILQHGPDVNGTJX-UHFFFAOYSA-N 1 3 333.498 0.503 20 0 ECADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642909455 440059345 /nfs/dbraw/zinc/05/93/45/440059345.db2.gz NNBDMCFPCMAEIY-HNNXBMFYSA-N 1 3 334.464 0.820 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919589 440064942 /nfs/dbraw/zinc/06/49/42/440064942.db2.gz AJICZTOYTSNEFV-QGZVFWFLSA-N 1 3 344.459 0.588 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000642982743 440075734 /nfs/dbraw/zinc/07/57/34/440075734.db2.gz WJYFRIDENLRLJS-QGZVFWFLSA-N 1 3 344.459 0.895 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCCCCC1 ZINC000642785732 440039497 /nfs/dbraw/zinc/03/94/97/440039497.db2.gz FSAFTQFEGLIJLP-HNNXBMFYSA-N 1 3 336.480 0.755 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[NH2+]1 ZINC000627195909 440041805 /nfs/dbraw/zinc/04/18/05/440041805.db2.gz FXHQWWWREYMZGF-HUUCEWRRSA-N 1 3 337.468 0.077 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)[C@H]2C1 ZINC000627231394 440058022 /nfs/dbraw/zinc/05/80/22/440058022.db2.gz LMBUNNUFLIARHE-SNPRPXQTSA-N 1 3 333.440 0.048 20 0 ECADHO CCN1CCC(n2nccc2NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000663610116 440118058 /nfs/dbraw/zinc/11/80/58/440118058.db2.gz BWMNZHCIFSVVGF-QGZVFWFLSA-N 1 3 348.451 0.347 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627320366 440121200 /nfs/dbraw/zinc/12/12/00/440121200.db2.gz ZMZYJRJMINFCSS-HUUCEWRRSA-N 1 3 336.480 0.768 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000653351514 440128099 /nfs/dbraw/zinc/12/80/99/440128099.db2.gz AXURIOKKDIWCHT-OAHLLOKOSA-N 1 3 341.500 0.726 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000653351514 440128104 /nfs/dbraw/zinc/12/81/04/440128104.db2.gz AXURIOKKDIWCHT-OAHLLOKOSA-N 1 3 341.500 0.726 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000653369906 440137166 /nfs/dbraw/zinc/13/71/66/440137166.db2.gz ZKMZODHYIWWDLQ-MRXNPFEDSA-N 1 3 340.512 0.929 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000653369906 440137173 /nfs/dbraw/zinc/13/71/73/440137173.db2.gz ZKMZODHYIWWDLQ-MRXNPFEDSA-N 1 3 340.512 0.929 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000653214121 440095722 /nfs/dbraw/zinc/09/57/22/440095722.db2.gz HRAFZYFYTHTHNU-MRXNPFEDSA-N 1 3 332.448 0.432 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000627296476 440103739 /nfs/dbraw/zinc/10/37/39/440103739.db2.gz IAXJKNGSQVKMFW-UHFFFAOYSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)C(=O)[C@@H]1CC[C@H](CNC2CC[NH+](CC(C)(C)O)CC2)O1 ZINC000647909867 440186950 /nfs/dbraw/zinc/18/69/50/440186950.db2.gz PYQPCZMJFSGUNN-CABCVRRESA-N 1 3 327.469 0.447 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647962798 440198670 /nfs/dbraw/zinc/19/86/70/440198670.db2.gz TZZOTWYSRUJQSS-MRXNPFEDSA-N 1 3 328.501 0.174 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647962798 440198676 /nfs/dbraw/zinc/19/86/76/440198676.db2.gz TZZOTWYSRUJQSS-MRXNPFEDSA-N 1 3 328.501 0.174 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000637052200 440148911 /nfs/dbraw/zinc/14/89/11/440148911.db2.gz VYIMXIMSHUQGLA-BPQIPLTHSA-N 1 3 346.475 0.873 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000637052200 440148917 /nfs/dbraw/zinc/14/89/17/440148917.db2.gz VYIMXIMSHUQGLA-BPQIPLTHSA-N 1 3 346.475 0.873 20 0 ECADHO CC[N@H+](CCO)CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659037396 440210108 /nfs/dbraw/zinc/21/01/08/440210108.db2.gz IHJXSUISBYBYQZ-INIZCTEOSA-N 1 3 336.436 0.783 20 0 ECADHO CC[N@@H+](CCO)CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659037396 440210114 /nfs/dbraw/zinc/21/01/14/440210114.db2.gz IHJXSUISBYBYQZ-INIZCTEOSA-N 1 3 336.436 0.783 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000664006363 440213624 /nfs/dbraw/zinc/21/36/24/440213624.db2.gz HSASEQSEVQUMEW-UHFFFAOYSA-N 1 3 341.500 0.522 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000664006363 440213628 /nfs/dbraw/zinc/21/36/28/440213628.db2.gz HSASEQSEVQUMEW-UHFFFAOYSA-N 1 3 341.500 0.522 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)C1 ZINC000643590190 440215589 /nfs/dbraw/zinc/21/55/89/440215589.db2.gz BZVMNNYAJOFOOZ-DAYGRLMNSA-N 1 3 334.464 0.141 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000643591000 440216066 /nfs/dbraw/zinc/21/60/66/440216066.db2.gz ACZFGFRBPZIWCX-SJORKVTESA-N 1 3 344.459 0.669 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000627460537 440218292 /nfs/dbraw/zinc/21/82/92/440218292.db2.gz NATGPGAJBUOGOP-JKSUJKDBSA-N 1 3 336.480 0.720 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531915 440202721 /nfs/dbraw/zinc/20/27/21/440202721.db2.gz WIYWVWXPOCMBAC-IRXDYDNUSA-N 1 3 344.459 0.540 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000663982756 440207469 /nfs/dbraw/zinc/20/74/69/440207469.db2.gz MLFYZLDJPCERPF-UHFFFAOYSA-N 1 3 341.500 0.380 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000643545268 440207479 /nfs/dbraw/zinc/20/74/79/440207479.db2.gz UGIUWBNPLMJXKP-LVQVYYBASA-N 1 3 334.464 0.282 20 0 ECADHO CN(C)C1(CNC(=O)c2cn(CC[NH3+])nn2)Cc2ccccc2C1 ZINC000659292343 440291800 /nfs/dbraw/zinc/29/18/00/440291800.db2.gz OQDVTOXISNSVQM-UHFFFAOYSA-N 1 3 328.420 0.066 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000659530166 440354775 /nfs/dbraw/zinc/35/47/75/440354775.db2.gz PQZLWHQULCVUDI-INIZCTEOSA-N 1 3 327.473 0.038 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000632723427 440357973 /nfs/dbraw/zinc/35/79/73/440357973.db2.gz WYBVNROTJIWBNH-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CC(CN1CC[C@@H](C(=O)N(C)C)C1)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000664779865 440373738 /nfs/dbraw/zinc/37/37/38/440373738.db2.gz JWKQWBZIYAOAEN-HZPDHXFCSA-N 1 3 338.496 0.443 20 0 ECADHO CC(CN1CC[C@@H](C(=O)N(C)C)C1)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000664779865 440373744 /nfs/dbraw/zinc/37/37/44/440373744.db2.gz JWKQWBZIYAOAEN-HZPDHXFCSA-N 1 3 338.496 0.443 20 0 ECADHO CCN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1CCN(C)C1 ZINC000664537351 440327081 /nfs/dbraw/zinc/32/70/81/440327081.db2.gz LJWVLDVMEWDNMS-INIZCTEOSA-N 1 3 325.501 0.748 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)(C)C ZINC000659456108 440331893 /nfs/dbraw/zinc/33/18/93/440331893.db2.gz HSSOPMJCSHDKSA-LBPRGKRZSA-N 1 3 338.456 0.807 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)n1 ZINC000654906328 440428934 /nfs/dbraw/zinc/42/89/34/440428934.db2.gz LEPDOKPDZVDHFF-MRXNPFEDSA-N 1 3 349.479 0.772 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659684022 440419051 /nfs/dbraw/zinc/41/90/51/440419051.db2.gz FBHBDCHZFICCKZ-UHFFFAOYSA-N 1 3 342.484 0.188 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CN1CCC(C)(C)C1 ZINC000654693689 440383105 /nfs/dbraw/zinc/38/31/05/440383105.db2.gz KQYZJWHLXYZDKA-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CN1CCC(C)(C)C1 ZINC000654693689 440383121 /nfs/dbraw/zinc/38/31/21/440383121.db2.gz KQYZJWHLXYZDKA-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659725161 440462613 /nfs/dbraw/zinc/46/26/13/440462613.db2.gz YFCXBDBUYQXWGE-YCPHGPKFSA-N 1 3 336.480 0.624 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000659741578 440479418 /nfs/dbraw/zinc/47/94/18/440479418.db2.gz OWIAMXFEKPOOFA-XHSDSOJGSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633079159 440432885 /nfs/dbraw/zinc/43/28/85/440432885.db2.gz TUBBYYSQXZYMSB-HNNXBMFYSA-N 1 3 326.485 0.763 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638096821 440433786 /nfs/dbraw/zinc/43/37/86/440433786.db2.gz NCLXEDXRKYGMDB-MNOVXSKESA-N 1 3 342.394 0.916 20 0 ECADHO COc1cccc(C[C@@H](N)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000638088947 440433867 /nfs/dbraw/zinc/43/38/67/440433867.db2.gz MBSSGFRZEWPQMT-OAHLLOKOSA-N 1 3 331.420 0.962 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000659705845 440440993 /nfs/dbraw/zinc/44/09/93/440440993.db2.gz ADIDMPPWPQVUBP-AWEZNQCLSA-N 1 3 332.448 0.491 20 0 ECADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659714849 440449172 /nfs/dbraw/zinc/44/91/72/440449172.db2.gz YNPNZWRUGBBKLQ-CABCVRRESA-N 1 3 336.480 0.625 20 0 ECADHO CC[NH+]1CCN(CCNC(=O)[C@H](N)Cc2cccc(OC)c2)CC1 ZINC000638136744 440455143 /nfs/dbraw/zinc/45/51/43/440455143.db2.gz AOLQIYMMDGEEOG-QGZVFWFLSA-N 1 3 334.464 0.319 20 0 ECADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659722447 440458217 /nfs/dbraw/zinc/45/82/17/440458217.db2.gz FHAVPHZBJFAUNG-ILXRZTDVSA-N 1 3 336.480 0.753 20 0 ECADHO CN(C)CCn1c2cc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)ccc2oc1=O ZINC000649312540 440458801 /nfs/dbraw/zinc/45/88/01/440458801.db2.gz YCLFTFPSDKBJQA-JYAVWHMHSA-N 1 3 330.388 0.560 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000659754100 440489608 /nfs/dbraw/zinc/48/96/08/440489608.db2.gz SJGFJLBLSBBHDP-GFCCVEGCSA-N 1 3 326.466 0.362 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)C1)N(C)C ZINC000665548725 440491229 /nfs/dbraw/zinc/49/12/29/440491229.db2.gz BJMAGDAQMVGDPW-YHUYYLMFSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)C)C1)N(C)C ZINC000665548725 440491234 /nfs/dbraw/zinc/49/12/34/440491234.db2.gz BJMAGDAQMVGDPW-YHUYYLMFSA-N 1 3 340.512 0.925 20 0 ECADHO COCCN1CCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638274216 440491453 /nfs/dbraw/zinc/49/14/53/440491453.db2.gz MHXDNWNQWOVJQH-SFHVURJKSA-N 1 3 348.491 0.626 20 0 ECADHO COCCN1CCCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638274216 440491459 /nfs/dbraw/zinc/49/14/59/440491459.db2.gz MHXDNWNQWOVJQH-SFHVURJKSA-N 1 3 348.491 0.626 20 0 ECADHO COC[C@]1(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCCCN1 ZINC000638338688 440514823 /nfs/dbraw/zinc/51/48/23/440514823.db2.gz DIAWGWUXWWHSQT-RYRKJORJSA-N 1 3 339.480 0.890 20 0 ECADHO CCN1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000665760286 440524561 /nfs/dbraw/zinc/52/45/61/440524561.db2.gz FCXCAMMRBACPDC-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO CCN1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000665760286 440524565 /nfs/dbraw/zinc/52/45/65/440524565.db2.gz FCXCAMMRBACPDC-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000665758394 440526605 /nfs/dbraw/zinc/52/66/05/440526605.db2.gz HDAJKYYFDSIMAT-DLBZAZTESA-N 1 3 337.512 0.914 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000649350462 440480823 /nfs/dbraw/zinc/48/08/23/440480823.db2.gz DWSCRMJCFUCGHT-INIZCTEOSA-N 1 3 348.495 0.104 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000638528087 440561646 /nfs/dbraw/zinc/56/16/46/440561646.db2.gz ULKHTWCIKNAUOU-JKSUJKDBSA-N 1 3 325.501 0.781 20 0 ECADHO CN(C)CCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000638529409 440562808 /nfs/dbraw/zinc/56/28/08/440562808.db2.gz OSIQKZGKDSDZAM-DLBZAZTESA-N 1 3 327.432 0.930 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N(C)C ZINC000638440736 440541124 /nfs/dbraw/zinc/54/11/24/440541124.db2.gz PPYYMLVOHGXAEY-ZBFHGGJFSA-N 1 3 348.495 0.866 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000655551658 440586062 /nfs/dbraw/zinc/58/60/62/440586062.db2.gz ACURWHDPOQUZLE-CVEARBPZSA-N 1 3 337.512 0.891 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000655551658 440586069 /nfs/dbraw/zinc/58/60/69/440586069.db2.gz ACURWHDPOQUZLE-CVEARBPZSA-N 1 3 337.512 0.891 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000655551658 440586075 /nfs/dbraw/zinc/58/60/75/440586075.db2.gz ACURWHDPOQUZLE-CVEARBPZSA-N 1 3 337.512 0.891 20 0 ECADHO [NH3+]CC1(NC(=O)CCN2CCN(c3ccccc3)CC2)CCOCC1 ZINC000638634575 440591254 /nfs/dbraw/zinc/59/12/54/440591254.db2.gz QUDBESJNHVZXNU-UHFFFAOYSA-N 1 3 346.475 0.823 20 0 ECADHO C[C@H](NC(=O)NC[C@H]1CCCN1CCCO)C1CC[NH+](C)CC1 ZINC000655576983 440592392 /nfs/dbraw/zinc/59/23/92/440592392.db2.gz SUEYRWGSALEWQC-GOEBONIOSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)C1CC[NH+](C)CC1 ZINC000655576640 440593504 /nfs/dbraw/zinc/59/35/04/440593504.db2.gz ORSRSMUICCNXKS-ZBFHGGJFSA-N 1 3 326.485 0.863 20 0 ECADHO O=C(NCCCN1CC[NH2+]CC1)N1CCN(c2ccncc2)CC1 ZINC000634197165 440620846 /nfs/dbraw/zinc/62/08/46/440620846.db2.gz FAXCCOVPHBSOIY-UHFFFAOYSA-N 1 3 332.452 0.209 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638777121 440621347 /nfs/dbraw/zinc/62/13/47/440621347.db2.gz BXOIMYLSUHZCKI-HOTGVXAUSA-N 1 3 325.453 0.372 20 0 ECADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655957003 440659293 /nfs/dbraw/zinc/65/92/93/440659293.db2.gz KTOFPFWHHBZTNE-LBPRGKRZSA-N 1 3 346.353 0.735 20 0 ECADHO O=C(Nc1cc(N2CCNCC2)ccn1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000638983812 440660028 /nfs/dbraw/zinc/66/00/28/440660028.db2.gz GWTYULPTRNZPCA-GFCCVEGCSA-N 1 3 341.419 0.544 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000650669597 440667708 /nfs/dbraw/zinc/66/77/08/440667708.db2.gz IZVJSBLATQIVDO-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000650669597 440667714 /nfs/dbraw/zinc/66/77/14/440667714.db2.gz IZVJSBLATQIVDO-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO C[C@H](CCO)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000650798624 440684989 /nfs/dbraw/zinc/68/49/89/440684989.db2.gz DDAJRHFWFJXVCX-CQSZACIVSA-N 1 3 326.485 0.957 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530239 440640196 /nfs/dbraw/zinc/64/01/96/440640196.db2.gz ZLMJYBXSGSRNEG-GJZGRUSLSA-N 1 3 345.443 0.965 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530239 440640203 /nfs/dbraw/zinc/64/02/03/440640203.db2.gz ZLMJYBXSGSRNEG-GJZGRUSLSA-N 1 3 345.443 0.965 20 0 ECADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530239 440640211 /nfs/dbraw/zinc/64/02/11/440640211.db2.gz ZLMJYBXSGSRNEG-GJZGRUSLSA-N 1 3 345.443 0.965 20 0 ECADHO NC[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C(F)(F)F ZINC000655920053 440644349 /nfs/dbraw/zinc/64/43/49/440644349.db2.gz RVDXVKLBKGAWMY-PWSUYJOCSA-N 1 3 338.374 0.676 20 0 ECADHO CO[C@@H](CNCC(=O)NCC[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000639204943 440692634 /nfs/dbraw/zinc/69/26/34/440692634.db2.gz GHTDNGIVUZACSL-CVEARBPZSA-N 1 3 327.469 0.620 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CCC[NH2+]C1 ZINC000656020672 440692868 /nfs/dbraw/zinc/69/28/68/440692868.db2.gz VDEQTVOYVZPUPT-JONQDZQNSA-N 1 3 336.480 0.624 20 0 ECADHO O=C(NCCNc1cc[nH+]cc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666972235 440717275 /nfs/dbraw/zinc/71/72/75/440717275.db2.gz UKSBEFMEEYCLAD-MRXNPFEDSA-N 1 3 333.436 0.468 20 0 ECADHO O[C@@H](C[NH2+]CCN1CCN(c2ccccc2)CC1)CN1CCCC1 ZINC000629554713 440725285 /nfs/dbraw/zinc/72/52/85/440725285.db2.gz NJSHOMNHFUSEBQ-IBGZPJMESA-N 1 3 332.492 0.855 20 0 ECADHO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]C[C@H](O)CN1CCCC1 ZINC000629566474 440730074 /nfs/dbraw/zinc/73/00/74/440730074.db2.gz SVCODNIYMTXEQH-ROUUACIJSA-N 1 3 347.507 0.638 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660828023 440736791 /nfs/dbraw/zinc/73/67/91/440736791.db2.gz UFPVMIBWCRPCOU-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660828023 440736796 /nfs/dbraw/zinc/73/67/96/440736796.db2.gz UFPVMIBWCRPCOU-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO CC[NH+]1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1 ZINC000645260162 440770352 /nfs/dbraw/zinc/77/03/52/440770352.db2.gz LBZOPDVRTXLFPY-CYBMUJFWSA-N 1 3 325.457 0.232 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000645263190 440774287 /nfs/dbraw/zinc/77/42/87/440774287.db2.gz MBJFULHWDBXORT-LSDHHAIUSA-N 1 3 339.484 0.480 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000645263190 440774293 /nfs/dbraw/zinc/77/42/93/440774293.db2.gz MBJFULHWDBXORT-LSDHHAIUSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661516471 440870312 /nfs/dbraw/zinc/87/03/12/440870312.db2.gz ZRMXOSSEIWEKDZ-KGLIPLIRSA-N 1 3 339.484 0.621 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661516471 440870320 /nfs/dbraw/zinc/87/03/20/440870320.db2.gz ZRMXOSSEIWEKDZ-KGLIPLIRSA-N 1 3 339.484 0.621 20 0 ECADHO CO[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@](C)(C[NH3+])C1 ZINC000630363193 440889639 /nfs/dbraw/zinc/88/96/39/440889639.db2.gz CHPVDMQFZNGTQB-SCTDSRPQSA-N 1 3 348.491 0.844 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000657091130 440950019 /nfs/dbraw/zinc/95/00/19/440950019.db2.gz LXARODQOBJQYEM-LBPRGKRZSA-N 1 3 345.513 0.680 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000635779294 440980262 /nfs/dbraw/zinc/98/02/62/440980262.db2.gz JJWJSRWHLSPNOQ-HZPDHXFCSA-N 1 3 327.469 0.524 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000635779294 440980266 /nfs/dbraw/zinc/98/02/66/440980266.db2.gz JJWJSRWHLSPNOQ-HZPDHXFCSA-N 1 3 327.469 0.524 20 0 ECADHO CCN1CCN(C(=O)CC2CC[NH+](C[C@@H]3CNCCO3)CC2)CC1 ZINC000662263052 440997061 /nfs/dbraw/zinc/99/70/61/440997061.db2.gz YYKZHQOFQINMNW-KRWDZBQOSA-N 1 3 338.496 0.241 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652158595 441021863 /nfs/dbraw/zinc/02/18/63/441021863.db2.gz GEWXRVAYQVRZBL-HNNXBMFYSA-N 1 3 325.501 0.688 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662526139 441064082 /nfs/dbraw/zinc/06/40/82/441064082.db2.gz SHEYAMAGVAQSEB-UHFFFAOYSA-N 1 3 336.436 0.718 20 0 ECADHO O=C(CNC[C@H]1CCCO1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662614319 441078317 /nfs/dbraw/zinc/07/83/17/441078317.db2.gz PRTCHOOYTMQDQH-QGZVFWFLSA-N 1 3 339.480 0.762 20 0 ECADHO C[C@H](Cn1cncn1)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000657867003 441078545 /nfs/dbraw/zinc/07/85/45/441078545.db2.gz DCAUFCOLGPOMDW-CQSZACIVSA-N 1 3 330.436 0.748 20 0 ECADHO COC[C@H]([NH3+])Cc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641228473 441081463 /nfs/dbraw/zinc/08/14/63/441081463.db2.gz ALPWWRDGHKQMST-AEFFLSMTSA-N 1 3 345.447 0.431 20 0 ECADHO C[NH+](C)CCNC(=O)C1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189370091 320539143 /nfs/dbraw/zinc/53/91/43/320539143.db2.gz UUMQPIIBQCSVCS-GFCCVEGCSA-N 1 3 325.375 0.690 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CCC(C)CC1 ZINC000333753050 320925195 /nfs/dbraw/zinc/92/51/95/320925195.db2.gz KFHKKSFXBMLVHS-SJORKVTESA-N 1 3 337.512 0.796 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)N3CCCN(C)CC3)CC2)CC1 ZINC000339992523 321009245 /nfs/dbraw/zinc/00/92/45/321009245.db2.gz VGAUDANNMSDICL-UHFFFAOYSA-N 1 3 337.512 0.892 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340204176 321021203 /nfs/dbraw/zinc/02/12/03/321021203.db2.gz XPTBYVPAHQPVDJ-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000340214104 321023306 /nfs/dbraw/zinc/02/33/06/321023306.db2.gz OCCXVVWPYYIVML-PMPSAXMXSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000340214104 321023307 /nfs/dbraw/zinc/02/33/07/321023307.db2.gz OCCXVVWPYYIVML-PMPSAXMXSA-N 1 3 338.496 0.633 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000340218643 321024052 /nfs/dbraw/zinc/02/40/52/321024052.db2.gz PABAPQTWCMSCCE-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000340220057 321025049 /nfs/dbraw/zinc/02/50/49/321025049.db2.gz MQOHYOCQXRGOLC-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000340220057 321025051 /nfs/dbraw/zinc/02/50/51/321025051.db2.gz MQOHYOCQXRGOLC-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000341989615 321071285 /nfs/dbraw/zinc/07/12/85/321071285.db2.gz DPXFRRMMJSMLSG-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N(C)C1CC1 ZINC000342062672 321074761 /nfs/dbraw/zinc/07/47/61/321074761.db2.gz MUFLOVQLDUIWLU-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000343139106 321124019 /nfs/dbraw/zinc/12/40/19/321124019.db2.gz PBRIOKUKOLAUHW-ZNMIVQPWSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000343139106 321124021 /nfs/dbraw/zinc/12/40/21/321124021.db2.gz PBRIOKUKOLAUHW-ZNMIVQPWSA-N 1 3 338.496 0.679 20 0 ECADHO CCN(C)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344527627 321154462 /nfs/dbraw/zinc/15/44/62/321154462.db2.gz AXMSSRVVHDWYBM-UHFFFAOYSA-N 1 3 327.473 0.180 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000345432705 321187522 /nfs/dbraw/zinc/18/75/22/321187522.db2.gz LBELZEUHPLEPHJ-IYBDPMFKSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000345432705 321187524 /nfs/dbraw/zinc/18/75/24/321187524.db2.gz LBELZEUHPLEPHJ-IYBDPMFKSA-N 1 3 338.496 0.872 20 0 ECADHO O[C@H](CN1CCOCC1)C[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348324239 321272701 /nfs/dbraw/zinc/27/27/01/321272701.db2.gz RSQJPZRVTMUTDK-SLFFLAALSA-N 1 3 345.487 0.743 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(O)(C4CC4)C3)CC2)CC1 ZINC000352430413 321360536 /nfs/dbraw/zinc/36/05/36/321360536.db2.gz GDAWUYPASXSOAG-UHFFFAOYSA-N 1 3 336.480 0.711 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000526912484 322000212 /nfs/dbraw/zinc/00/02/12/322000212.db2.gz VHDCHQOMYNKHHB-HKUYNNGSSA-N 1 3 346.475 0.874 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000526912484 322000213 /nfs/dbraw/zinc/00/02/13/322000213.db2.gz VHDCHQOMYNKHHB-HKUYNNGSSA-N 1 3 346.475 0.874 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C1CCN(CC2(CO)COC2)CC1 ZINC000531802172 322045289 /nfs/dbraw/zinc/04/52/89/322045289.db2.gz DUPTUGFYVSKQKW-UHFFFAOYSA-N 1 3 341.496 0.555 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000559387520 322219248 /nfs/dbraw/zinc/21/92/48/322219248.db2.gz JPRJZBORISPGDC-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)S(C)(=O)=O ZINC000562987820 322291333 /nfs/dbraw/zinc/29/13/33/322291333.db2.gz RJGQWFNEDAGTDQ-OAHLLOKOSA-N 1 3 340.493 0.616 20 0 ECADHO CN1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@@H]1c1ccccc1 ZINC000563587855 322330292 /nfs/dbraw/zinc/33/02/92/322330292.db2.gz CUFXPWHSDMSMPG-BBWFWOEESA-N 1 3 331.464 0.716 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000563621829 322334074 /nfs/dbraw/zinc/33/40/74/322334074.db2.gz ALMJGPKONYLCKH-UONOGXRCSA-N 1 3 346.475 0.444 20 0 ECADHO CN(C)C1(CNC(=O)NC[C@H]2C[NH2+]CCCO2)Cc2ccccc2C1 ZINC000564430886 322373903 /nfs/dbraw/zinc/37/39/03/322373903.db2.gz OMCRXVHWMLEMNV-QGZVFWFLSA-N 1 3 346.475 0.763 20 0 ECADHO C[C@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000564873136 322402557 /nfs/dbraw/zinc/40/25/57/322402557.db2.gz KOICRDNZCYEWDC-UHOSZYNNSA-N 1 3 334.508 0.876 20 0 ECADHO C[NH2+]C1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CC1 ZINC000564958068 322413815 /nfs/dbraw/zinc/41/38/15/322413815.db2.gz MSSKLSLRLWMFEJ-UHFFFAOYSA-N 1 3 343.497 0.434 20 0 ECADHO O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)NC1C[NH2+]C1 ZINC000569579073 322658343 /nfs/dbraw/zinc/65/83/43/322658343.db2.gz CXFRIKGFOXXBOD-UHFFFAOYSA-N 1 3 336.461 0.164 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000571746642 322731739 /nfs/dbraw/zinc/73/17/39/322731739.db2.gz CAQYPNGEJAOWFT-CABCVRRESA-N 1 3 336.480 0.707 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000572380047 322743934 /nfs/dbraw/zinc/74/39/34/322743934.db2.gz XOBSYCSHPKHQHN-LSDHHAIUSA-N 1 3 337.468 0.062 20 0 ECADHO O=C(NCCN1CC[NH2+]CC1)NCC1CCN(c2ccncc2)CC1 ZINC000573905361 322769850 /nfs/dbraw/zinc/76/98/50/322769850.db2.gz MYVIQVKVYOFEQC-UHFFFAOYSA-N 1 3 346.479 0.502 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000576687945 322813085 /nfs/dbraw/zinc/81/30/85/322813085.db2.gz GHHXQDKHSQIFLG-UHFFFAOYSA-N 1 3 341.500 0.570 20 0 ECADHO Cc1nnc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000577672006 322842744 /nfs/dbraw/zinc/84/27/44/322842744.db2.gz MEOLMICVOIKQCN-UHFFFAOYSA-N 1 3 328.486 0.524 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000578886983 322878962 /nfs/dbraw/zinc/87/89/62/322878962.db2.gz DBZWVFZCBIQQCN-UHFFFAOYSA-N 1 3 338.456 0.246 20 0 ECADHO O=C(N[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011859 782135022 /nfs/dbraw/zinc/13/50/22/782135022.db2.gz LBGGOVWNBDEVHV-MGPQQGTHSA-N 1 3 343.418 0.679 20 0 ECADHO CCN(CCO)CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000187400021 528535051 /nfs/dbraw/zinc/53/50/51/528535051.db2.gz BYGOMCHTVWZRLK-UHFFFAOYSA-N 1 3 349.479 0.911 20 0 ECADHO CN(C[C@H](O)C1CC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000305068705 545987755 /nfs/dbraw/zinc/98/77/55/545987755.db2.gz SHHBTOHAJRIUHB-KRWDZBQOSA-N 1 3 338.496 0.957 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCCn2c3ccccc3[nH]c2=O)C1 ZINC000327582887 546002503 /nfs/dbraw/zinc/00/25/03/546002503.db2.gz GNLFEYXXWVZEFP-AWEZNQCLSA-N 1 3 345.447 0.507 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333644713 546061426 /nfs/dbraw/zinc/06/14/26/546061426.db2.gz IVOQXVIWTOMMEI-CABCVRRESA-N 1 3 339.484 0.323 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000343019528 546094156 /nfs/dbraw/zinc/09/41/56/546094156.db2.gz ZMWRZLREMKIVFD-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621370258 546508169 /nfs/dbraw/zinc/50/81/69/546508169.db2.gz FTAXRFJDFTVNSW-XMTFNYHQSA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621370258 546508175 /nfs/dbraw/zinc/50/81/75/546508175.db2.gz FTAXRFJDFTVNSW-XMTFNYHQSA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621370258 546508181 /nfs/dbraw/zinc/50/81/81/546508181.db2.gz FTAXRFJDFTVNSW-XMTFNYHQSA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CC[N@H+](CCOCCN2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621370258 546508185 /nfs/dbraw/zinc/50/81/85/546508185.db2.gz FTAXRFJDFTVNSW-XMTFNYHQSA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621370257 546508615 /nfs/dbraw/zinc/50/86/15/546508615.db2.gz FTAXRFJDFTVNSW-USTZCAOPSA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621370257 546508618 /nfs/dbraw/zinc/50/86/18/546508618.db2.gz FTAXRFJDFTVNSW-USTZCAOPSA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621370257 546508624 /nfs/dbraw/zinc/50/86/24/546508624.db2.gz FTAXRFJDFTVNSW-USTZCAOPSA-N 1 3 328.497 0.904 20 0 ECADHO C[C@@H]1CC[N@H+](CCOCCN2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621370257 546508629 /nfs/dbraw/zinc/50/86/29/546508629.db2.gz FTAXRFJDFTVNSW-USTZCAOPSA-N 1 3 328.497 0.904 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C2 ZINC000622027219 546609227 /nfs/dbraw/zinc/60/92/27/546609227.db2.gz ZCKBBFXBBRPAMM-VKJFTORMSA-N 1 3 334.464 0.413 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000624414607 546921423 /nfs/dbraw/zinc/92/14/23/546921423.db2.gz VPCJYHNXQFXZGW-GXFFZTMASA-N 1 3 329.470 0.090 20 0 ECADHO O=C(NCCN1CC[C@@H](O)C1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000625899967 547250794 /nfs/dbraw/zinc/25/07/94/547250794.db2.gz HONLFFLNAVSHKL-CVEARBPZSA-N 1 3 334.420 0.536 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2CNCCO2)cc1 ZINC000662866856 547458683 /nfs/dbraw/zinc/45/86/83/547458683.db2.gz LAPIRURXXFRRBD-ULQDDVLXSA-N 1 3 333.432 0.635 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667725316 547550470 /nfs/dbraw/zinc/55/04/70/547550470.db2.gz CPGFYAQBGPSPST-INIZCTEOSA-N 1 3 345.447 0.916 20 0 ECADHO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cnc2c(c1)CNCC2 ZINC000667800473 547558874 /nfs/dbraw/zinc/55/88/74/547558874.db2.gz GNPSSFPKJFPOHQ-HNNXBMFYSA-N 1 3 333.436 0.696 20 0 ECADHO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1cnc2c(c1)CNCC2 ZINC000667800473 547558876 /nfs/dbraw/zinc/55/88/76/547558876.db2.gz GNPSSFPKJFPOHQ-HNNXBMFYSA-N 1 3 333.436 0.696 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670431090 548008479 /nfs/dbraw/zinc/00/84/79/548008479.db2.gz UFMYALMNHKZZCS-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670431090 548008482 /nfs/dbraw/zinc/00/84/82/548008482.db2.gz UFMYALMNHKZZCS-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000670983959 548075926 /nfs/dbraw/zinc/07/59/26/548075926.db2.gz CRRYQVRAMIBOBL-ZBFHGGJFSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000670983959 548075928 /nfs/dbraw/zinc/07/59/28/548075928.db2.gz CRRYQVRAMIBOBL-ZBFHGGJFSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000670985070 548076562 /nfs/dbraw/zinc/07/65/62/548076562.db2.gz GCUNIBDBHZTSFR-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670997180 548078099 /nfs/dbraw/zinc/07/80/99/548078099.db2.gz MFRORRRRHMINGF-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670997180 548078102 /nfs/dbraw/zinc/07/81/02/548078102.db2.gz MFRORRRRHMINGF-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000671091607 548089538 /nfs/dbraw/zinc/08/95/38/548089538.db2.gz NMWKHDIQYDAZMP-MRXNPFEDSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671181177 548106674 /nfs/dbraw/zinc/10/66/74/548106674.db2.gz UTLBRJYULLDCOY-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671181177 548106678 /nfs/dbraw/zinc/10/66/78/548106678.db2.gz UTLBRJYULLDCOY-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000672204682 548281392 /nfs/dbraw/zinc/28/13/92/548281392.db2.gz VVGKKWPQTKWPMG-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672305551 548302691 /nfs/dbraw/zinc/30/26/91/548302691.db2.gz TVFAFJMDLQSTQJ-CVEARBPZSA-N 1 3 336.480 0.435 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672305551 548302693 /nfs/dbraw/zinc/30/26/93/548302693.db2.gz TVFAFJMDLQSTQJ-CVEARBPZSA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000672695707 548373111 /nfs/dbraw/zinc/37/31/11/548373111.db2.gz SQVMBBXMZXBJJB-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000672695707 548373114 /nfs/dbraw/zinc/37/31/14/548373114.db2.gz SQVMBBXMZXBJJB-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCN(CCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000673141400 548450506 /nfs/dbraw/zinc/45/05/06/548450506.db2.gz QRAWPUVNJKMELC-QGZVFWFLSA-N 1 3 340.512 0.533 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C1 ZINC000676046990 548783915 /nfs/dbraw/zinc/78/39/15/548783915.db2.gz YBCBVRGYJMEEKL-ZIAGYGMSSA-N 1 3 346.493 0.958 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681161219 549228740 /nfs/dbraw/zinc/22/87/40/549228740.db2.gz QMFOIHSRDDCXJT-DOTOQJQBSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000681161219 549228743 /nfs/dbraw/zinc/22/87/43/549228743.db2.gz QMFOIHSRDDCXJT-DOTOQJQBSA-N 1 3 337.512 0.796 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000685445056 549693722 /nfs/dbraw/zinc/69/37/22/549693722.db2.gz REJUSNHUDOLJBB-GOEBONIOSA-N 1 3 336.480 0.742 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000685768807 549716574 /nfs/dbraw/zinc/71/65/74/549716574.db2.gz UYWFJNLBPSMDCT-CYBMUJFWSA-N 1 3 338.456 0.228 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000685768807 549716577 /nfs/dbraw/zinc/71/65/77/549716577.db2.gz UYWFJNLBPSMDCT-CYBMUJFWSA-N 1 3 338.456 0.228 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCNC(=O)C3)CC2)CC1 ZINC000726853292 578149734 /nfs/dbraw/zinc/14/97/34/578149734.db2.gz YLVJIFZWJLIDIF-UHFFFAOYSA-N 1 3 337.468 0.077 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)N1CCCCC1)C[NH+]1CCCC1 ZINC000790187909 578869377 /nfs/dbraw/zinc/86/93/77/578869377.db2.gz LFEACNSCAQEIDG-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793710747 578936648 /nfs/dbraw/zinc/93/66/48/578936648.db2.gz UEYGEDFXURUQFR-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCCN1CCCO ZINC000840775348 588973385 /nfs/dbraw/zinc/97/33/85/588973385.db2.gz DXKFDAQARGEVSC-GJZGRUSLSA-N 1 3 328.526 0.782 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCCN1CCCO ZINC000840775348 588973386 /nfs/dbraw/zinc/97/33/86/588973386.db2.gz DXKFDAQARGEVSC-GJZGRUSLSA-N 1 3 328.526 0.782 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841006458 588976018 /nfs/dbraw/zinc/97/60/18/588976018.db2.gz DPPBZUMCETZWPE-AWEZNQCLSA-N 1 3 348.447 0.953 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc2)CC1 ZINC000841196731 588981907 /nfs/dbraw/zinc/98/19/07/588981907.db2.gz MEGQXYRFPGCVLD-AWEZNQCLSA-N 1 3 347.463 0.478 20 0 ECADHO C[C@]1(CNC(=O)N(CC[NH3+])CCO)CCN(Cc2ccccc2)C1 ZINC000841899124 589004834 /nfs/dbraw/zinc/00/48/34/589004834.db2.gz SNRFWUBQPZMWPK-GOSISDBHSA-N 1 3 334.464 0.861 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1CCCCC1 ZINC000842015124 589008090 /nfs/dbraw/zinc/00/80/90/589008090.db2.gz GVZNNZVLISSUKE-UGUYLWEFSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@]1(CNC(=O)C(=O)NCC2C[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000842188085 589018874 /nfs/dbraw/zinc/01/88/74/589018874.db2.gz CGNNFDPQRYTRDG-LJQANCHMSA-N 1 3 344.459 0.350 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000842190549 589019160 /nfs/dbraw/zinc/01/91/60/589019160.db2.gz ULFFQVGLQVLZSK-DNVCBOLYSA-N 1 3 346.475 0.868 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC2(CCOC)CC[NH2+]CC2)C1 ZINC000891576705 586179117 /nfs/dbraw/zinc/17/91/17/586179117.db2.gz NKBHIAHJRUJLRN-AWEZNQCLSA-N 1 3 328.457 0.165 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891579963 586179544 /nfs/dbraw/zinc/17/95/44/586179544.db2.gz QICQQQCUVATASS-INIZCTEOSA-N 1 3 325.501 0.927 20 0 ECADHO C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)CN1CCN(C)CC1 ZINC000891602726 586181252 /nfs/dbraw/zinc/18/12/52/586181252.db2.gz LPIVUDKXNUWRDM-JKSUJKDBSA-N 1 3 339.528 0.947 20 0 ECADHO COc1nn(C)cc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000895667093 586197194 /nfs/dbraw/zinc/19/71/94/586197194.db2.gz YUKBXDSSLAOBPQ-ZDUSSCGKSA-N 1 3 340.472 0.500 20 0 ECADHO COc1nn(C)cc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000895667093 586197195 /nfs/dbraw/zinc/19/71/95/586197195.db2.gz YUKBXDSSLAOBPQ-ZDUSSCGKSA-N 1 3 340.472 0.500 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000891984983 586211899 /nfs/dbraw/zinc/21/18/99/586211899.db2.gz QERCODCTWXKIFD-UHFFFAOYSA-N 1 3 337.468 0.254 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CNCCC2(F)F)C[C@@H]1C(F)(F)F ZINC000892155317 586224787 /nfs/dbraw/zinc/22/47/87/586224787.db2.gz CMPWCDUEVZBSBI-VGMNWLOBSA-N 1 3 330.301 0.762 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896520049 586246304 /nfs/dbraw/zinc/24/63/04/586246304.db2.gz FBAFHZCNQFLXPD-UHFFFAOYSA-N 1 3 338.496 0.193 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892324317 586248917 /nfs/dbraw/zinc/24/89/17/586248917.db2.gz RNMIMTVWEGPPLC-INIZCTEOSA-N 1 3 346.475 0.977 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000892480575 586268642 /nfs/dbraw/zinc/26/86/42/586268642.db2.gz ILYJBCHRKRKADO-CABCVRRESA-N 1 3 326.485 0.911 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)cc1 ZINC000892530723 586271752 /nfs/dbraw/zinc/27/17/52/586271752.db2.gz VZZBXSVKSPZVKW-QZTJIDSGSA-N 1 3 345.491 0.854 20 0 ECADHO [NH3+][C@H]1C[C@@H](CNC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000892552083 586273291 /nfs/dbraw/zinc/27/32/91/586273291.db2.gz RUZZCOWWRGXNEC-OKILXGFUSA-N 1 3 325.457 0.015 20 0 ECADHO CN(C)C1(CNc2nc(NCC3([NH+](C)C)CC3)cc(C(N)=O)n2)CC1 ZINC000894230431 586381653 /nfs/dbraw/zinc/38/16/53/586381653.db2.gz BQLUXGBKLFXGEG-UHFFFAOYSA-N 1 3 347.467 0.588 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000894601848 586403265 /nfs/dbraw/zinc/40/32/65/586403265.db2.gz MQRIIMKIHDQGTD-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000894601848 586403266 /nfs/dbraw/zinc/40/32/66/586403266.db2.gz MQRIIMKIHDQGTD-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CN1CCC(C[NH2+]C[C@H]2COC(C)(C)O2)(N2CCOCC2)CC1 ZINC000894893873 586417694 /nfs/dbraw/zinc/41/76/94/586417694.db2.gz HPBRWLXUCRCENT-HNNXBMFYSA-N 1 3 327.469 0.524 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cnc2n1CCOC2 ZINC000898953768 586459109 /nfs/dbraw/zinc/45/91/09/586459109.db2.gz PMVJWDLYVDZFJL-UHFFFAOYSA-N 1 3 338.456 0.048 20 0 ECADHO CN1CCC[C@](O)(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000900760489 586660270 /nfs/dbraw/zinc/66/02/70/586660270.db2.gz WERHETBTZFAZJN-QAPCUYQASA-N 1 3 339.480 0.450 20 0 ECADHO CC(C)N1CCN(CCCC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000901186351 586699449 /nfs/dbraw/zinc/69/94/49/586699449.db2.gz LFNHDSPFULFVIR-KRWDZBQOSA-N 1 3 328.501 0.221 20 0 ECADHO CN1CCC(C[NH2+][C@H]2CCO[C@@]23CCOC3)(N2CCOCC2)CC1 ZINC000903186598 586770864 /nfs/dbraw/zinc/77/08/64/586770864.db2.gz SAZDYNAPZMXUDV-FUHWJXTLSA-N 1 3 339.480 0.321 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[C@H]1N ZINC000903747350 586804933 /nfs/dbraw/zinc/80/49/33/586804933.db2.gz MOXIYRXULRXGEW-HUUCEWRRSA-N 1 3 336.480 0.659 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC000903790671 586813088 /nfs/dbraw/zinc/81/30/88/586813088.db2.gz UWANNSNUFYDPDG-AWEZNQCLSA-N 1 3 338.496 0.763 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000903932034 586826904 /nfs/dbraw/zinc/82/69/04/586826904.db2.gz LJFNKVSFOABFNZ-SJORKVTESA-N 1 3 348.495 0.889 20 0 ECADHO [NH3+][C@H]1C[C@@H](CN2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000904335666 586835559 /nfs/dbraw/zinc/83/55/59/586835559.db2.gz IPZYLVCMUQZLAO-WOVMCDHWSA-N 1 3 328.460 0.931 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@@]43CN)CC[C@@H]21 ZINC000904974959 586853280 /nfs/dbraw/zinc/85/32/80/586853280.db2.gz UGBADKGPSFPPQQ-OAFZBRQQSA-N 1 3 348.491 0.659 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@@]43CN)CC[C@@H]21 ZINC000904974959 586853283 /nfs/dbraw/zinc/85/32/83/586853283.db2.gz UGBADKGPSFPPQQ-OAFZBRQQSA-N 1 3 348.491 0.659 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000905005752 586858721 /nfs/dbraw/zinc/85/87/21/586858721.db2.gz FWTFURLCEUXJEY-HDMKZQKVSA-N 1 3 334.464 0.413 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000905005753 586858732 /nfs/dbraw/zinc/85/87/32/586858732.db2.gz FWTFURLCEUXJEY-IIDMSEBBSA-N 1 3 334.464 0.413 20 0 ECADHO C[NH+]1CCC2(CCN(C(=O)C(=O)N3CC[C@@H]4CC[C@@]43CN)CC2)CC1 ZINC000905007829 586859260 /nfs/dbraw/zinc/85/92/60/586859260.db2.gz KPQJUQQSTWNBDG-HNAYVOBHSA-N 1 3 348.491 0.661 20 0 ECADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]4CC[C@]43CN)C2)CC1 ZINC000905008593 586859266 /nfs/dbraw/zinc/85/92/66/586859266.db2.gz NYSXADYHBVBUDW-GJYPPUQNSA-N 1 3 348.491 0.517 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000905010812 586860814 /nfs/dbraw/zinc/86/08/14/586860814.db2.gz UQWDWIJVZOTNRW-RVKKMQEKSA-N 1 3 334.464 0.413 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)C2(O)CCCC2)CC1 ZINC000905104052 586870339 /nfs/dbraw/zinc/87/03/39/586870339.db2.gz DDNNMJQIXKFCFY-HNNXBMFYSA-N 1 3 327.469 0.185 20 0 ECADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)C[C@@]1(O)CCOC1 ZINC000905172260 586876585 /nfs/dbraw/zinc/87/65/85/586876585.db2.gz CVHNZODIYPBYEL-MLHJIOFPSA-N 1 3 342.480 0.246 20 0 ECADHO COC(=O)C[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000839552520 586878089 /nfs/dbraw/zinc/87/80/89/586878089.db2.gz QKYZJWJUISKGGO-OAHLLOKOSA-N 1 3 325.453 0.907 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000905435096 586894291 /nfs/dbraw/zinc/89/42/91/586894291.db2.gz ZHYGWRQOFBAIGD-SFHVURJKSA-N 1 3 330.476 0.871 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000905435096 586894294 /nfs/dbraw/zinc/89/42/94/586894294.db2.gz ZHYGWRQOFBAIGD-SFHVURJKSA-N 1 3 330.476 0.871 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)NCCN2CCc3ccccc3C2)C1 ZINC000905918367 586922487 /nfs/dbraw/zinc/92/24/87/586922487.db2.gz GZAUDNQCTKGJEP-UHFFFAOYSA-N 1 3 330.476 0.654 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)NCCN2CCc3ccccc3C2)C1 ZINC000905918367 586922489 /nfs/dbraw/zinc/92/24/89/586922489.db2.gz GZAUDNQCTKGJEP-UHFFFAOYSA-N 1 3 330.476 0.654 20 0 ECADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)N(C)OC)CC2)CC1 ZINC000817286428 587338288 /nfs/dbraw/zinc/33/82/88/587338288.db2.gz UXNARXQUMADASK-UHFFFAOYSA-N 1 3 326.485 0.888 20 0 ECADHO CCN1CCC([N@H+]2CCCN(CCC(=O)N(C)OC)CC2)CC1 ZINC000817286428 587338290 /nfs/dbraw/zinc/33/82/90/587338290.db2.gz UXNARXQUMADASK-UHFFFAOYSA-N 1 3 326.485 0.888 20 0 ECADHO CCN1CCN(CCCCNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844192419 589102085 /nfs/dbraw/zinc/10/20/85/589102085.db2.gz QFDOPFRDRUFMFX-MRXNPFEDSA-N 1 3 326.485 0.289 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@@H]1CCO ZINC000820081047 587507782 /nfs/dbraw/zinc/50/77/82/587507782.db2.gz RZADAGIIHVGQKH-GJZGRUSLSA-N 1 3 330.473 0.051 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@@H]1CCO ZINC000820081047 587507784 /nfs/dbraw/zinc/50/77/84/587507784.db2.gz RZADAGIIHVGQKH-GJZGRUSLSA-N 1 3 330.473 0.051 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]12CCOC2=O ZINC000820080891 587507814 /nfs/dbraw/zinc/50/78/14/587507814.db2.gz OGVHKQKACMZZLO-WMLDXEAASA-N 1 3 340.468 0.750 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]12CCOC2=O ZINC000820080891 587507816 /nfs/dbraw/zinc/50/78/16/587507816.db2.gz OGVHKQKACMZZLO-WMLDXEAASA-N 1 3 340.468 0.750 20 0 ECADHO COC(=O)C1=NOC2(C1)CC[NH+](C[C@@H](O)CN(C)C(C)C)CC2 ZINC000821402367 587591551 /nfs/dbraw/zinc/59/15/51/587591551.db2.gz RBNAQWVQPIMHFD-ZDUSSCGKSA-N 1 3 327.425 0.471 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848616015 589303893 /nfs/dbraw/zinc/30/38/93/589303893.db2.gz FQEJNWAYUILGDZ-RKVPGOIHSA-N 1 3 334.464 0.474 20 0 ECADHO CN(C)[C@H]1C[C@@H](C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C1 ZINC000848676224 589306044 /nfs/dbraw/zinc/30/60/44/589306044.db2.gz KUERZQHFDMVDEM-BETUJISGSA-N 1 3 334.482 0.673 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C(C)C ZINC000848940118 589317305 /nfs/dbraw/zinc/31/73/05/589317305.db2.gz VAOFLMPUFAWUHP-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C(C)C ZINC000848940118 589317306 /nfs/dbraw/zinc/31/73/06/589317306.db2.gz VAOFLMPUFAWUHP-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(=O)NC)c1 ZINC000849053124 589319006 /nfs/dbraw/zinc/31/90/06/589319006.db2.gz ZZISXZVXBCWENH-HNNXBMFYSA-N 1 3 347.463 0.910 20 0 ECADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000850626565 589373563 /nfs/dbraw/zinc/37/35/63/589373563.db2.gz ZHCCKXBWYQXRDA-UHFFFAOYSA-N 1 3 346.475 0.727 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852872578 589520696 /nfs/dbraw/zinc/52/06/96/589520696.db2.gz IGIVDLNURSYCPK-INIZCTEOSA-N 1 3 345.447 0.154 20 0 ECADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1[nH]nc2c1CNCC2 ZINC000852905994 589524431 /nfs/dbraw/zinc/52/44/31/589524431.db2.gz KXHGSDVMZUGYCV-CZUORRHYSA-N 1 3 325.416 0.931 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000858763961 589772665 /nfs/dbraw/zinc/77/26/65/589772665.db2.gz FAFVJJIUTZIDKW-HUUCEWRRSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000858763961 589772668 /nfs/dbraw/zinc/77/26/68/589772668.db2.gz FAFVJJIUTZIDKW-HUUCEWRRSA-N 1 3 339.484 0.480 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867623274 589816992 /nfs/dbraw/zinc/81/69/92/589816992.db2.gz DDDWNQCZFJETGU-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867623274 589816994 /nfs/dbraw/zinc/81/69/94/589816994.db2.gz DDDWNQCZFJETGU-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000861769065 589890018 /nfs/dbraw/zinc/89/00/18/589890018.db2.gz DBYJXIZEKWFLGL-CQSZACIVSA-N 1 3 332.448 0.573 20 0 ECADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868310024 589891381 /nfs/dbraw/zinc/89/13/81/589891381.db2.gz PXNCJOJLVWTIGK-ZBFHGGJFSA-N 1 3 330.432 0.897 20 0 ECADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868310024 589891382 /nfs/dbraw/zinc/89/13/82/589891382.db2.gz PXNCJOJLVWTIGK-ZBFHGGJFSA-N 1 3 330.432 0.897 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1(C)C ZINC000868579163 589914695 /nfs/dbraw/zinc/91/46/95/589914695.db2.gz SEBKSCIXUGCPEK-HZPDHXFCSA-N 1 3 337.512 0.748 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1(C)C ZINC000868579163 589914697 /nfs/dbraw/zinc/91/46/97/589914697.db2.gz SEBKSCIXUGCPEK-HZPDHXFCSA-N 1 3 337.512 0.748 20 0 ECADHO CCN(C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C)C1 ZINC000869239716 589955396 /nfs/dbraw/zinc/95/53/96/589955396.db2.gz PNOBNHLJBVHLAI-KBPBESRZSA-N 1 3 342.484 0.994 20 0 ECADHO CCN(C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000869239716 589955398 /nfs/dbraw/zinc/95/53/98/589955398.db2.gz PNOBNHLJBVHLAI-KBPBESRZSA-N 1 3 342.484 0.994 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(F)C(=O)N[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000869285416 589957948 /nfs/dbraw/zinc/95/79/48/589957948.db2.gz PPQIZLMJBRHTEX-ZIAGYGMSSA-N 1 3 342.459 0.526 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(F)C(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000869285416 589957951 /nfs/dbraw/zinc/95/79/51/589957951.db2.gz PPQIZLMJBRHTEX-ZIAGYGMSSA-N 1 3 342.459 0.526 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C[NH+](C)C ZINC000870018969 589989742 /nfs/dbraw/zinc/98/97/42/589989742.db2.gz KNVSVYKONWTWQS-ZIAGYGMSSA-N 1 3 345.509 0.152 20 0 ECADHO CCCCNC(=O)CCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549866 590022412 /nfs/dbraw/zinc/02/24/12/590022412.db2.gz SIQAMLFOPGYYFP-CABCVRRESA-N 1 3 338.452 0.550 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000863749997 590033647 /nfs/dbraw/zinc/03/36/47/590033647.db2.gz IFKYPBGPFYMQND-ZDUSSCGKSA-N 1 3 338.427 0.522 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000888561063 590055320 /nfs/dbraw/zinc/05/53/20/590055320.db2.gz JOSMQFWROJCBNO-HUUCEWRRSA-N 1 3 339.484 0.622 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000888561064 590055371 /nfs/dbraw/zinc/05/53/71/590055371.db2.gz JOSMQFWROJCBNO-LSDHHAIUSA-N 1 3 339.484 0.622 20 0 ECADHO NCc1cn([C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CCOCC4)C2)nn1 ZINC000872144869 590097893 /nfs/dbraw/zinc/09/78/93/590097893.db2.gz KRVSUVOCVLPCAM-JKSUJKDBSA-N 1 3 335.452 0.959 20 0 ECADHO NCc1cn([C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CCOCC4)C2)nn1 ZINC000872144869 590097896 /nfs/dbraw/zinc/09/78/96/590097896.db2.gz KRVSUVOCVLPCAM-JKSUJKDBSA-N 1 3 335.452 0.959 20 0 ECADHO Cc1nn(-c2cccnc2)nc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000865177206 590129089 /nfs/dbraw/zinc/12/90/89/590129089.db2.gz AWCVZDHUXPHQHC-UHFFFAOYSA-N 1 3 345.451 0.536 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)C1 ZINC000873219487 590186722 /nfs/dbraw/zinc/18/67/22/590186722.db2.gz INTGLICBQMDJHD-RDJZCZTQSA-N 1 3 339.480 0.844 20 0 ECADHO NCc1cn(-c2cccc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)c2)nn1 ZINC000873243521 590187201 /nfs/dbraw/zinc/18/72/01/590187201.db2.gz MFZOEHRCJUHCDG-ROUUACIJSA-N 1 3 342.447 0.583 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875059670 590266070 /nfs/dbraw/zinc/26/60/70/590266070.db2.gz YMWVEIVCUYQYID-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000875059670 590266071 /nfs/dbraw/zinc/26/60/71/590266071.db2.gz YMWVEIVCUYQYID-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875170191 590278224 /nfs/dbraw/zinc/27/82/24/590278224.db2.gz ZJVXNAQQHIUFFP-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875170191 590278226 /nfs/dbraw/zinc/27/82/26/590278226.db2.gz ZJVXNAQQHIUFFP-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C1=CCN(C)CC1 ZINC000875362267 590296254 /nfs/dbraw/zinc/29/62/54/590296254.db2.gz YPTCNQASKRAOAK-NUEKZKHPSA-N 1 3 334.464 0.306 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C1=CCN(C)CC1 ZINC000875362267 590296256 /nfs/dbraw/zinc/29/62/56/590296256.db2.gz YPTCNQASKRAOAK-NUEKZKHPSA-N 1 3 334.464 0.306 20 0 ECADHO COC(=O)C1=CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000875804471 590333778 /nfs/dbraw/zinc/33/37/78/590333778.db2.gz XZLLFJWCJDUNPY-CQSZACIVSA-N 1 3 326.441 0.383 20 0 ECADHO Cn1nc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1=O ZINC000879903212 590349510 /nfs/dbraw/zinc/34/95/10/590349510.db2.gz MOGPHCHKYIDLOC-UHFFFAOYSA-N 1 3 348.451 0.460 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](N)CN(C)C)c1 ZINC000876720763 590403527 /nfs/dbraw/zinc/40/35/27/590403527.db2.gz MLVWOZGAZFGLJE-INIZCTEOSA-N 1 3 349.479 0.586 20 0 ECADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000876743308 590407123 /nfs/dbraw/zinc/40/71/23/590407123.db2.gz BLVWCHUYHYSZJL-SJORKVTESA-N 1 3 329.444 0.854 20 0 ECADHO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1n[nH]c2c1CNCC2 ZINC000877199291 590444185 /nfs/dbraw/zinc/44/41/85/590444185.db2.gz LPMJSLFSBIXAHS-UHFFFAOYSA-N 1 3 327.392 0.112 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)c2)nn1 ZINC000877207492 590445236 /nfs/dbraw/zinc/44/52/36/590445236.db2.gz YNWUCFMHIQTQDY-CYBMUJFWSA-N 1 3 328.420 0.732 20 0 ECADHO CN1CCN(C2CCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)CC1 ZINC000877252026 590450707 /nfs/dbraw/zinc/45/07/07/590450707.db2.gz XVYQOXBRXGHCCS-OAHLLOKOSA-N 1 3 348.413 0.767 20 0 ECADHO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NC3CCN(C)CC3)[C@H]2C1 ZINC000878623218 590531754 /nfs/dbraw/zinc/53/17/54/590531754.db2.gz HLIHUFJMNXANRF-XIRDDKMYSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CCN1c1ccncc1 ZINC000883639699 590637391 /nfs/dbraw/zinc/63/73/91/590637391.db2.gz WNSRXGOGTVKCTQ-KDOFPFPSSA-N 1 3 345.447 0.316 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000883642788 590639036 /nfs/dbraw/zinc/63/90/36/590639036.db2.gz VDRXSJXPXLRMRA-QLFBSQMISA-N 1 3 345.447 0.172 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884891932 590643470 /nfs/dbraw/zinc/64/34/70/590643470.db2.gz PCAQGCKEFWVWMN-INIZCTEOSA-N 1 3 346.475 0.615 20 0 ECADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000885893243 590780314 /nfs/dbraw/zinc/78/03/14/590780314.db2.gz MUUGAQJPPWGFPZ-RDJZCZTQSA-N 1 3 325.453 0.203 20 0 ECADHO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000885893243 590780319 /nfs/dbraw/zinc/78/03/19/590780319.db2.gz MUUGAQJPPWGFPZ-RDJZCZTQSA-N 1 3 325.453 0.203 20 0 ECADHO COCCCN(C)CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884226483 590781412 /nfs/dbraw/zinc/78/14/12/590781412.db2.gz UVZGXGWRPRHWMG-UHFFFAOYSA-N 1 3 335.452 0.189 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884314424 590803021 /nfs/dbraw/zinc/80/30/21/590803021.db2.gz JDZYAJLVIWYZSG-HOCLYGCPSA-N 1 3 331.464 0.903 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884314424 590803027 /nfs/dbraw/zinc/80/30/27/590803027.db2.gz JDZYAJLVIWYZSG-HOCLYGCPSA-N 1 3 331.464 0.903 20 0 ECADHO C[NH2+]CCOc1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000884371248 590814829 /nfs/dbraw/zinc/81/48/29/590814829.db2.gz JIXZCMXHJRQIPC-DLBZAZTESA-N 1 3 343.431 0.585 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)c2ccnc(N3CCNCC3)c2)[NH2+]C1 ZINC000884456007 590833431 /nfs/dbraw/zinc/83/34/31/590833431.db2.gz ZBJKXIGYIFJUOA-OAHLLOKOSA-N 1 3 331.464 0.999 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884545615 590853172 /nfs/dbraw/zinc/85/31/72/590853172.db2.gz MVFXAPFLKKSCPE-CQSZACIVSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000884577095 590862420 /nfs/dbraw/zinc/86/24/20/590862420.db2.gz XPYHVNWNAIVXRJ-HRCADAONSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000884578315 590862621 /nfs/dbraw/zinc/86/26/21/590862621.db2.gz XPYHVNWNAIVXRJ-JYJNAYRXSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884577746 590862640 /nfs/dbraw/zinc/86/26/40/590862640.db2.gz LMWKBPDYWIGWLL-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884617249 590872804 /nfs/dbraw/zinc/87/28/04/590872804.db2.gz KJYUEGFGJMAUKY-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000884630155 590878866 /nfs/dbraw/zinc/87/88/66/590878866.db2.gz CUYKSAQPULCRTA-BPUTZDHNSA-N 1 3 344.459 0.805 20 0 ECADHO O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884634759 590879274 /nfs/dbraw/zinc/87/92/74/590879274.db2.gz UQWSCVGGBSLOGY-HOTGVXAUSA-N 1 3 348.491 0.722 20 0 ECADHO O=C(NC1CNC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884692958 590899108 /nfs/dbraw/zinc/89/91/08/590899108.db2.gz GFKJERMONSLWHW-JKSUJKDBSA-N 1 3 342.443 0.055 20 0 ECADHO O=C(NC1CNC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884692958 590899112 /nfs/dbraw/zinc/89/91/12/590899112.db2.gz GFKJERMONSLWHW-JKSUJKDBSA-N 1 3 342.443 0.055 20 0 ECADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cn1 ZINC000887923393 591020750 /nfs/dbraw/zinc/02/07/50/591020750.db2.gz ZESZXQWDKSRHBP-VXNCWWDNSA-N 1 3 345.491 0.866 20 0 ECADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cn1 ZINC000887923393 591020755 /nfs/dbraw/zinc/02/07/55/591020755.db2.gz ZESZXQWDKSRHBP-VXNCWWDNSA-N 1 3 345.491 0.866 20 0 ECADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946598077 611359550 /nfs/dbraw/zinc/35/95/50/611359550.db2.gz XFMKNJJRMYTHFD-YYIAUSFCSA-N 1 3 337.464 0.012 20 0 ECADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946598077 611359551 /nfs/dbraw/zinc/35/95/51/611359551.db2.gz XFMKNJJRMYTHFD-YYIAUSFCSA-N 1 3 337.464 0.012 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2CC1 ZINC000946779586 611473080 /nfs/dbraw/zinc/47/30/80/611473080.db2.gz PVZFWIGTKLOKPU-MWDXBVQZSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1 ZINC000946779586 611473082 /nfs/dbraw/zinc/47/30/82/611473082.db2.gz PVZFWIGTKLOKPU-MWDXBVQZSA-N 1 3 348.491 0.530 20 0 ECADHO O[C@H](CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)CN1CCc2ccccc2C1 ZINC000925606416 611491473 /nfs/dbraw/zinc/49/14/73/611491473.db2.gz JLBLMAZTEGRELX-GXUNQHPWSA-N 1 3 327.472 0.992 20 0 ECADHO CN1CCN(C)CCN(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000931567707 611550881 /nfs/dbraw/zinc/55/08/81/611550881.db2.gz WACHKWRWFBNFQT-UHFFFAOYSA-N 1 3 337.472 0.156 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000931957111 611588425 /nfs/dbraw/zinc/58/84/25/611588425.db2.gz IXXWLCBFJPEWBT-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000931957111 611588427 /nfs/dbraw/zinc/58/84/27/611588427.db2.gz IXXWLCBFJPEWBT-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1C[C@H]3C[N@H+](C)C[C@@]3(C)C1)CC2 ZINC000910664227 609745120 /nfs/dbraw/zinc/74/51/20/609745120.db2.gz OHNWPBTWQIBCBL-BSXFFOKHSA-N 1 3 334.464 0.092 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1C[C@H]3C[N@@H+](C)C[C@@]3(C)C1)CC2 ZINC000910664227 609745121 /nfs/dbraw/zinc/74/51/21/609745121.db2.gz OHNWPBTWQIBCBL-BSXFFOKHSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@H]1C[NH3+] ZINC000910973582 609786595 /nfs/dbraw/zinc/78/65/95/609786595.db2.gz VUOHJCQFVMBFIJ-DJIMGWMZSA-N 1 3 346.475 0.329 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000911006574 609793645 /nfs/dbraw/zinc/79/36/45/609793645.db2.gz FWXNIBHJMCZZJP-FVQBIDKESA-N 1 3 332.448 0.477 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@@H+]1C ZINC000911007436 609793650 /nfs/dbraw/zinc/79/36/50/609793650.db2.gz JTDBFIHHIXIHKT-UIBBOPPKSA-N 1 3 330.432 0.326 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@H+]1C ZINC000911007436 609793651 /nfs/dbraw/zinc/79/36/51/609793651.db2.gz JTDBFIHHIXIHKT-UIBBOPPKSA-N 1 3 330.432 0.326 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000911161566 609817745 /nfs/dbraw/zinc/81/77/45/609817745.db2.gz LWSHUGVMMCBVSW-RVKKMQEKSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000911258181 609837598 /nfs/dbraw/zinc/83/75/98/609837598.db2.gz NVMHZDIKCVHOFW-RBSFLKMASA-N 1 3 338.496 0.585 20 0 ECADHO COc1ccccc1[C@H](N)CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911667743 609904904 /nfs/dbraw/zinc/90/49/04/609904904.db2.gz RPJZZCJKOAHRIO-CXAGYDPISA-N 1 3 332.404 0.710 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)C(=O)CN3CCCC3)C2)C1 ZINC000939701829 610093187 /nfs/dbraw/zinc/09/31/87/610093187.db2.gz YPMXOBPALBDHOE-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)C(=O)CN3CCCC3)C2)C1 ZINC000939701829 610093189 /nfs/dbraw/zinc/09/31/89/610093189.db2.gz YPMXOBPALBDHOE-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908683 610168928 /nfs/dbraw/zinc/16/89/28/610168928.db2.gz SGJVFQQNZNETGX-HIFRSBDPSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908683 610168929 /nfs/dbraw/zinc/16/89/29/610168929.db2.gz SGJVFQQNZNETGX-HIFRSBDPSA-N 1 3 333.436 0.353 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000940420973 610280960 /nfs/dbraw/zinc/28/09/60/610280960.db2.gz WIXXQJCMQLQHFK-BZUAXINKSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000940420973 610280961 /nfs/dbraw/zinc/28/09/61/610280961.db2.gz WIXXQJCMQLQHFK-BZUAXINKSA-N 1 3 338.496 0.917 20 0 ECADHO CNC(=O)CN1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942289036 610381420 /nfs/dbraw/zinc/38/14/20/610381420.db2.gz USFYSMRJVFPOGR-IUODEOHRSA-N 1 3 329.404 0.521 20 0 ECADHO CC1CC(CN2CC(N3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)CC3)C2)C1 ZINC000941665075 610455981 /nfs/dbraw/zinc/45/59/81/610455981.db2.gz BEKHZYJRYUEMBS-OFLPRAFFSA-N 1 3 334.508 0.813 20 0 ECADHO CC1CC(CN2CC(N3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)CC3)C2)C1 ZINC000941665075 610455984 /nfs/dbraw/zinc/45/59/84/610455984.db2.gz BEKHZYJRYUEMBS-OFLPRAFFSA-N 1 3 334.508 0.813 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC000941691017 610465424 /nfs/dbraw/zinc/46/54/24/610465424.db2.gz GXSWHTURHXHFLL-MRXNPFEDSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C2)CC[N@@H+]1C ZINC000941931742 610569107 /nfs/dbraw/zinc/56/91/07/610569107.db2.gz JYKVNRYSIMRNIQ-IJEWVQPXSA-N 1 3 347.463 0.708 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C2)CC[N@H+]1C ZINC000941931742 610569109 /nfs/dbraw/zinc/56/91/09/610569109.db2.gz JYKVNRYSIMRNIQ-IJEWVQPXSA-N 1 3 347.463 0.708 20 0 ECADHO C[C@@H]1C[N@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)c1cnccc1N(C)C ZINC000944171494 610764393 /nfs/dbraw/zinc/76/43/93/610764393.db2.gz XSOFWIMTQMSCKB-UKRRQHHQSA-N 1 3 347.463 0.676 20 0 ECADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)c1cnccc1N(C)C ZINC000944171494 610764394 /nfs/dbraw/zinc/76/43/94/610764394.db2.gz XSOFWIMTQMSCKB-UKRRQHHQSA-N 1 3 347.463 0.676 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943380600 610814559 /nfs/dbraw/zinc/81/45/59/610814559.db2.gz FYQOMBBZLOWOHF-CABCVRRESA-N 1 3 347.463 0.791 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943380600 610814561 /nfs/dbraw/zinc/81/45/61/610814561.db2.gz FYQOMBBZLOWOHF-CABCVRRESA-N 1 3 347.463 0.791 20 0 ECADHO COC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000923201401 611214108 /nfs/dbraw/zinc/21/41/08/611214108.db2.gz OQNQSOLLBCSSPX-ZNMIVQPWSA-N 1 3 342.484 0.899 20 0 ECADHO COC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000923201401 611214110 /nfs/dbraw/zinc/21/41/10/611214110.db2.gz OQNQSOLLBCSSPX-ZNMIVQPWSA-N 1 3 342.484 0.899 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923262347 611221075 /nfs/dbraw/zinc/22/10/75/611221075.db2.gz VQHDKPUNWOUXIZ-CVEARBPZSA-N 1 3 327.469 0.666 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923262347 611221076 /nfs/dbraw/zinc/22/10/76/611221076.db2.gz VQHDKPUNWOUXIZ-CVEARBPZSA-N 1 3 327.469 0.666 20 0 ECADHO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301428 611226658 /nfs/dbraw/zinc/22/66/58/611226658.db2.gz HIFFESZWEWKNOV-OCCSQVGLSA-N 1 3 339.461 0.705 20 0 ECADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCCN(CCO[C@@H]2CCOC2)C1 ZINC000923398030 611237998 /nfs/dbraw/zinc/23/79/98/611237998.db2.gz ITTHPSNUJJONAN-JKSUJKDBSA-N 1 3 349.479 0.804 20 0 ECADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@H]([NH2+]CCO)C1)c1ccccc1 ZINC000923405096 611239210 /nfs/dbraw/zinc/23/92/10/611239210.db2.gz ATCPLZGMDOCNCQ-ROUUACIJSA-N 1 3 348.491 0.452 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC000946902635 611245756 /nfs/dbraw/zinc/24/57/56/611245756.db2.gz SLVLGCYIJAGAFJ-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC000946902635 611245758 /nfs/dbraw/zinc/24/57/58/611245758.db2.gz SLVLGCYIJAGAFJ-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948741733 611250502 /nfs/dbraw/zinc/25/05/02/611250502.db2.gz DPJJTDPSUCUQON-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN(CC(=O)NCCCN2CCCCCC2=O)CC[C@@H]1C[NH3+] ZINC000923497142 611252228 /nfs/dbraw/zinc/25/22/28/611252228.db2.gz FPLJFQGUIMBISF-JKSUJKDBSA-N 1 3 338.496 0.812 20 0 ECADHO O=C1NC[C@H](O)CC12CCN(Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000923526968 611255823 /nfs/dbraw/zinc/25/58/23/611255823.db2.gz XBLWJCKGLDWPQF-QGZVFWFLSA-N 1 3 329.444 0.795 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2CC1 ZINC000946518208 611297205 /nfs/dbraw/zinc/29/72/05/611297205.db2.gz PZIOHWGCVDBALK-IXDOHACOSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2CC1 ZINC000946518208 611297206 /nfs/dbraw/zinc/29/72/06/611297206.db2.gz PZIOHWGCVDBALK-IXDOHACOSA-N 1 3 348.491 0.483 20 0 ECADHO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC(N2CCCOCC2)CC1 ZINC000923665205 611338451 /nfs/dbraw/zinc/33/84/51/611338451.db2.gz HJJOOSNVXICTPA-OAHLLOKOSA-N 1 3 331.482 0.255 20 0 ECADHO [NH3+]CCN(Cc1cccc(Cl)c1)S(=O)(=O)N1CCNCC1 ZINC000923674664 611339944 /nfs/dbraw/zinc/33/99/44/611339944.db2.gz TZHBSGBMYNEJCG-UHFFFAOYSA-N 1 3 332.857 0.251 20 0 ECADHO COCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C(C)C)N(C)C)CCO2 ZINC000949182391 611892022 /nfs/dbraw/zinc/89/20/22/611892022.db2.gz NFUQFOQMDXOTQS-MRXNPFEDSA-N 1 3 341.496 0.912 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000952032464 612190836 /nfs/dbraw/zinc/19/08/36/612190836.db2.gz XIZHKQYFVHYFSS-HOTGVXAUSA-N 1 3 348.491 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CN(C(=O)C12CCC[NH+](CCC1)C2)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954644029 612484967 /nfs/dbraw/zinc/48/49/67/612484967.db2.gz ONYKOPRDJSEQCZ-MRXNPFEDSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000955445698 612594846 /nfs/dbraw/zinc/59/48/46/612594846.db2.gz OKKPDKZMXZFTEF-ZBFHGGJFSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000955445698 612594851 /nfs/dbraw/zinc/59/48/51/612594851.db2.gz OKKPDKZMXZFTEF-ZBFHGGJFSA-N 1 3 345.447 0.638 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000956227996 612789564 /nfs/dbraw/zinc/78/95/64/612789564.db2.gz OEYKCFJPQSOYCQ-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000954357368 612874386 /nfs/dbraw/zinc/87/43/86/612874386.db2.gz SDKZZQAQHQVWEC-RHSMWYFYSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954384887 612886906 /nfs/dbraw/zinc/88/69/06/612886906.db2.gz DBUOHOQLFCDRRV-RDJZCZTQSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954384887 612886907 /nfs/dbraw/zinc/88/69/07/612886907.db2.gz DBUOHOQLFCDRRV-RDJZCZTQSA-N 1 3 348.491 0.768 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000954407591 612895192 /nfs/dbraw/zinc/89/51/92/612895192.db2.gz IJFDDZWOPXPJBT-SQWLQELKSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000954407591 612895196 /nfs/dbraw/zinc/89/51/96/612895196.db2.gz IJFDDZWOPXPJBT-SQWLQELKSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C)Cc1ccnc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001164415421 718885508 /nfs/dbraw/zinc/88/55/08/718885508.db2.gz IKJUHPCHFPHVIM-UHFFFAOYSA-N 1 3 327.436 0.834 20 0 ECADHO O=C([C@H]1CCc2cncn2C1)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000969135427 731517765 /nfs/dbraw/zinc/51/77/65/731517765.db2.gz JBMWWRYVOUTQQQ-LSDHHAIUSA-N 1 3 345.447 0.258 20 0 ECADHO CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H](C2CC2)N(C)C)CCCCC1 ZINC001115572980 731878329 /nfs/dbraw/zinc/87/83/29/731878329.db2.gz CHGQXEVWEGDQEW-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC000969723414 732088593 /nfs/dbraw/zinc/08/85/93/732088593.db2.gz YWWYSBJWUNQFOE-JONQDZQNSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC000969723414 732088598 /nfs/dbraw/zinc/08/85/98/732088598.db2.gz YWWYSBJWUNQFOE-JONQDZQNSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CC[C@@H](NC[C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1=O ZINC001025067107 738591583 /nfs/dbraw/zinc/59/15/83/738591583.db2.gz KWDICKNFFJOAES-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CC[C@@H](N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000969815518 732405175 /nfs/dbraw/zinc/40/51/75/732405175.db2.gz VPKFPJXIHWEWDB-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)(C(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001208917824 732428211 /nfs/dbraw/zinc/42/82/11/732428211.db2.gz BQFHVWCZBJETRY-OAHLLOKOSA-N 1 3 336.480 0.720 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCCC[C@@H]2C[NH2+][C@H]2CCNC2=O)C1 ZINC001025085064 738618461 /nfs/dbraw/zinc/61/84/61/738618461.db2.gz KUVDTYPZRTXIPN-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@]2(CC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001041831221 782295667 /nfs/dbraw/zinc/29/56/67/782295667.db2.gz LHUNAJLRKPSHEG-SFHVURJKSA-N 1 3 349.479 0.032 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001041831221 782295673 /nfs/dbraw/zinc/29/56/73/782295673.db2.gz LHUNAJLRKPSHEG-SFHVURJKSA-N 1 3 349.479 0.032 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2cnnn2C)CC1 ZINC001167224112 733067481 /nfs/dbraw/zinc/06/74/81/733067481.db2.gz DPFXUGVEKOEGBU-CQSZACIVSA-N 1 3 334.468 0.676 20 0 ECADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3cc(N(C)C)nc(C)n3)C[C@H]1C2 ZINC001167230061 733074191 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ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000971526533 734713650 /nfs/dbraw/zinc/71/36/50/734713650.db2.gz XOIGSCXQLUTSDH-HZPDHXFCSA-N 1 3 334.468 0.684 20 0 ECADHO CN(CC(=O)N1CC[C@H]([N@H+](C)C[C@H]2CCc3ncnn32)C1)C1CCC1 ZINC000971688660 734949387 /nfs/dbraw/zinc/94/93/87/734949387.db2.gz ZLSFGJSOZNABLV-JKSUJKDBSA-N 1 3 346.479 0.782 20 0 ECADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)C[C@H]2CCc3ncnn32)C1)C1CCC1 ZINC000971688660 734949390 /nfs/dbraw/zinc/94/93/90/734949390.db2.gz ZLSFGJSOZNABLV-JKSUJKDBSA-N 1 3 346.479 0.782 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001023130856 736525797 /nfs/dbraw/zinc/52/57/97/736525797.db2.gz JIWSLSYEARRHDT-FZKCQIBNSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001067461866 736952877 /nfs/dbraw/zinc/95/28/77/736952877.db2.gz QEASSSBLYPJJFR-JKSUJKDBSA-N 1 3 340.512 0.831 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001067461866 736952881 /nfs/dbraw/zinc/95/28/81/736952881.db2.gz QEASSSBLYPJJFR-JKSUJKDBSA-N 1 3 340.512 0.831 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCn3cncn3)C2)CC1 ZINC000972611575 737095707 /nfs/dbraw/zinc/09/57/07/737095707.db2.gz CLJDAXPMSRISFC-MRXNPFEDSA-N 1 3 334.468 0.543 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCn3cncn3)C2)CC1 ZINC000972611575 737095712 /nfs/dbraw/zinc/09/57/12/737095712.db2.gz CLJDAXPMSRISFC-MRXNPFEDSA-N 1 3 334.468 0.543 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000972734072 737563843 /nfs/dbraw/zinc/56/38/43/737563843.db2.gz VHLMMUQAFGHOQX-IAGOWNOFSA-N 1 3 348.495 0.769 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000972734072 737563847 /nfs/dbraw/zinc/56/38/47/737563847.db2.gz VHLMMUQAFGHOQX-IAGOWNOFSA-N 1 3 348.495 0.769 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001024016370 737615756 /nfs/dbraw/zinc/61/57/56/737615756.db2.gz DPHOQFJWSZOLJT-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001024052658 737656793 /nfs/dbraw/zinc/65/67/93/737656793.db2.gz YTVLVCOXIKAWDN-HNNXBMFYSA-N 1 3 346.479 0.772 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC001024156961 737784562 /nfs/dbraw/zinc/78/45/62/737784562.db2.gz VVUBGOCBDIQTNL-CABCVRRESA-N 1 3 334.468 0.485 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001104691712 739490375 /nfs/dbraw/zinc/49/03/75/739490375.db2.gz SETWRSQPUFEUES-FMKPAKJESA-N 1 3 338.496 0.679 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104691794 739490577 /nfs/dbraw/zinc/49/05/77/739490577.db2.gz WJXABOFZBHOLEW-KFWWJZLASA-N 1 3 326.485 0.537 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000973550040 739513557 /nfs/dbraw/zinc/51/35/57/739513557.db2.gz UVSLDBREUKJZMY-KLHDSHLOSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000973550040 739513559 /nfs/dbraw/zinc/51/35/59/739513559.db2.gz UVSLDBREUKJZMY-KLHDSHLOSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799077 739969110 /nfs/dbraw/zinc/96/91/10/739969110.db2.gz SZNRWKVBADZITI-SFFUCWETSA-N 1 3 349.475 0.323 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799077 739969111 /nfs/dbraw/zinc/96/91/11/739969111.db2.gz SZNRWKVBADZITI-SFFUCWETSA-N 1 3 349.475 0.323 20 0 ECADHO CCN(CC)CC(=O)NCC1CC([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001100770718 740352365 /nfs/dbraw/zinc/35/23/65/740352365.db2.gz LLDYJNIWZWJHPK-WLYUNCDWSA-N 1 3 345.509 0.247 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099911 740374121 /nfs/dbraw/zinc/37/41/21/740374121.db2.gz LNWOJBRVOCTOQC-ZOFXXKQRSA-N 1 3 344.463 0.341 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099911 740374122 /nfs/dbraw/zinc/37/41/22/740374122.db2.gz LNWOJBRVOCTOQC-ZOFXXKQRSA-N 1 3 344.463 0.341 20 0 ECADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(N)=O ZINC001104832432 740633974 /nfs/dbraw/zinc/63/39/74/740633974.db2.gz ANVXDDBVSFCLIX-OWCLPIDISA-N 1 3 338.496 0.666 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)OC2(CC[NH+](CCO)CC2)C1)N(C)C ZINC001098609656 740730241 /nfs/dbraw/zinc/73/02/41/740730241.db2.gz CTOOUYBLQOALCP-HUUCEWRRSA-N 1 3 327.469 0.401 20 0 ECADHO Cn1cc(CN[C@@H]2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)nn1 ZINC001026349031 740986607 /nfs/dbraw/zinc/98/66/07/740986607.db2.gz VFLWZOBBFBRPAZ-USXIJHARSA-N 1 3 346.479 0.484 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@@H]([NH2+]CCn3cccn3)[C@H]2C1 ZINC001026366468 741070063 /nfs/dbraw/zinc/07/00/63/741070063.db2.gz LIPHDZZFSQLHCC-CWRNSKLLSA-N 1 3 328.420 0.676 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001026735102 741733984 /nfs/dbraw/zinc/73/39/84/741733984.db2.gz YOIOGMCKPSLNPR-RDJZCZTQSA-N 1 3 344.459 0.818 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001105318607 741763323 /nfs/dbraw/zinc/76/33/23/741763323.db2.gz HNKJADVQNQZZIP-UHFFFAOYSA-N 1 3 334.468 0.749 20 0 ECADHO CC1CC(CNCc2cn(C3CN(C(=O)CC[NH+](C)C)C3)nn2)C1 ZINC001105320972 741773782 /nfs/dbraw/zinc/77/37/82/741773782.db2.gz RNVCQODIUVHCRR-UHFFFAOYSA-N 1 3 334.468 0.749 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326839 741803566 /nfs/dbraw/zinc/80/35/66/741803566.db2.gz IWDORUCLZBKZFR-XJKSGUPXSA-N 1 3 334.468 0.749 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326839 741803569 /nfs/dbraw/zinc/80/35/69/741803569.db2.gz IWDORUCLZBKZFR-XJKSGUPXSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327284 741813561 /nfs/dbraw/zinc/81/35/61/741813561.db2.gz ZHKOQBQXSXSQGM-CZUORRHYSA-N 1 3 334.468 0.605 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105327284 741813563 /nfs/dbraw/zinc/81/35/63/741813563.db2.gz ZHKOQBQXSXSQGM-CZUORRHYSA-N 1 3 334.468 0.605 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000974579624 741917441 /nfs/dbraw/zinc/91/74/41/741917441.db2.gz DGKWREVLFAVWIY-SQWLQELKSA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000974579624 741917442 /nfs/dbraw/zinc/91/74/42/741917442.db2.gz DGKWREVLFAVWIY-SQWLQELKSA-N 1 3 345.447 0.353 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026885350 742025578 /nfs/dbraw/zinc/02/55/78/742025578.db2.gz IGWQIUGQEWCQAU-CQSZACIVSA-N 1 3 334.468 0.720 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](CNCc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001027020862 742313459 /nfs/dbraw/zinc/31/34/59/742313459.db2.gz CNVJRHJCEPOPHG-ZNMIVQPWSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](CNCc3cn(C)nn3)C2)CC[N@H+]1C ZINC001027020862 742313465 /nfs/dbraw/zinc/31/34/65/742313465.db2.gz CNVJRHJCEPOPHG-ZNMIVQPWSA-N 1 3 334.468 0.484 20 0 ECADHO CCn1c(C)nnc1CNC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027036180 742347773 /nfs/dbraw/zinc/34/77/73/742347773.db2.gz UMNVBEFVNPYGMS-HNNXBMFYSA-N 1 3 348.495 0.886 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001027065378 742437362 /nfs/dbraw/zinc/43/73/62/742437362.db2.gz XJYJOWWORADLAL-LSDHHAIUSA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001027065378 742437366 /nfs/dbraw/zinc/43/73/66/742437366.db2.gz XJYJOWWORADLAL-LSDHHAIUSA-N 1 3 334.468 0.578 20 0 ECADHO NC(=O)c1cccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027091360 742524688 /nfs/dbraw/zinc/52/46/88/742524688.db2.gz LAJPMMPXCZQUQZ-AWEZNQCLSA-N 1 3 341.415 0.689 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001027172842 743002281 /nfs/dbraw/zinc/00/22/81/743002281.db2.gz FHDOILYCINGNRN-AWEZNQCLSA-N 1 3 345.447 0.519 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000996999255 743111147 /nfs/dbraw/zinc/11/11/47/743111147.db2.gz NALKERBPFLRJTH-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCCN(C)C3=O)CC2)C1 ZINC000997005723 743119690 /nfs/dbraw/zinc/11/96/90/743119690.db2.gz JJBVVTTUZMLZOU-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027215484 743186647 /nfs/dbraw/zinc/18/66/47/743186647.db2.gz JKVRGGOIXAGOIP-ZIAGYGMSSA-N 1 3 333.436 0.375 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027215484 743186652 /nfs/dbraw/zinc/18/66/52/743186652.db2.gz JKVRGGOIXAGOIP-ZIAGYGMSSA-N 1 3 333.436 0.375 20 0 ECADHO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC001027217117 743193711 /nfs/dbraw/zinc/19/37/11/743193711.db2.gz FMIJELVWGGJUTF-INIZCTEOSA-N 1 3 332.448 0.419 20 0 ECADHO NC(=O)c1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001027217717 743195180 /nfs/dbraw/zinc/19/51/80/743195180.db2.gz PHBJIAKHZVUWLY-MRXNPFEDSA-N 1 3 344.459 0.819 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000997243022 743399421 /nfs/dbraw/zinc/39/94/21/743399421.db2.gz RWSTYVAHOARBCL-GOEBONIOSA-N 1 3 345.447 0.605 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000997243022 743399431 /nfs/dbraw/zinc/39/94/31/743399431.db2.gz RWSTYVAHOARBCL-GOEBONIOSA-N 1 3 345.447 0.605 20 0 ECADHO COc1coc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1=O ZINC001020590161 751854930 /nfs/dbraw/zinc/85/49/30/751854930.db2.gz NWFAUZJOLDLLGE-MGPQQGTHSA-N 1 3 349.431 0.727 20 0 ECADHO CC[C@H](C(N)=O)N1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997736155 743782623 /nfs/dbraw/zinc/78/26/23/743782623.db2.gz ONLIHSMICFKZFK-XJKSGUPXSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)CC[N@@H+]1C ZINC000988323464 751860601 /nfs/dbraw/zinc/86/06/01/751860601.db2.gz FOHNZWAHMVJNHQ-GBOPCIDUSA-N 1 3 333.436 0.398 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)CC[N@H+]1C ZINC000988323464 751860612 /nfs/dbraw/zinc/86/06/12/751860612.db2.gz FOHNZWAHMVJNHQ-GBOPCIDUSA-N 1 3 333.436 0.398 20 0 ECADHO Cn1cc(CNCC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000997830216 743841598 /nfs/dbraw/zinc/84/15/98/743841598.db2.gz DTUMVCWGIQJNJY-MRXNPFEDSA-N 1 3 334.468 0.484 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000998046592 743946489 /nfs/dbraw/zinc/94/64/89/743946489.db2.gz KHMSUXXIGIBOFK-HZPDHXFCSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998083593 743968857 /nfs/dbraw/zinc/96/88/57/743968857.db2.gz WOMVUDGXKRFKBX-HOCLYGCPSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998083593 743968859 /nfs/dbraw/zinc/96/88/59/743968859.db2.gz 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348.447 0.927 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001077151087 758352934 /nfs/dbraw/zinc/35/29/34/758352934.db2.gz DBZIHENTEIFGLE-SOUVJXGZSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001077151087 758352944 /nfs/dbraw/zinc/35/29/44/758352944.db2.gz DBZIHENTEIFGLE-SOUVJXGZSA-N 1 3 326.485 0.679 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001022201382 758413475 /nfs/dbraw/zinc/41/34/75/758413475.db2.gz HUGHQLDZDAGPRN-JKIFEVAISA-N 1 3 346.479 0.959 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001022201382 758413476 /nfs/dbraw/zinc/41/34/76/758413476.db2.gz HUGHQLDZDAGPRN-JKIFEVAISA-N 1 3 346.479 0.959 20 0 ECADHO O=C(NCCNCc1ccc(Cl)nc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780023 758632112 /nfs/dbraw/zinc/63/21/12/758632112.db2.gz UTUICMVEJHAYCN-ZIAGYGMSSA-N 1 3 338.839 0.804 20 0 ECADHO O=C(NCCNCc1ccc(Cl)nc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780023 758632117 /nfs/dbraw/zinc/63/21/17/758632117.db2.gz UTUICMVEJHAYCN-ZIAGYGMSSA-N 1 3 338.839 0.804 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001022721444 759046140 /nfs/dbraw/zinc/04/61/40/759046140.db2.gz XFCIXDHGRHLOTQ-RZFFKMDDSA-N 1 3 333.436 0.420 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001022721444 759046146 /nfs/dbraw/zinc/04/61/46/759046146.db2.gz XFCIXDHGRHLOTQ-RZFFKMDDSA-N 1 3 333.436 0.420 20 0 ECADHO COc1nccc(CN[C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001022809431 759131259 /nfs/dbraw/zinc/13/12/59/759131259.db2.gz MAPRMOLOWZXYGP-IYBDPMFKSA-N 1 3 347.463 0.954 20 0 ECADHO O=C(N[C@@H]1CN(C[C@@H]2CCCCO2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607366 759270316 /nfs/dbraw/zinc/27/03/16/759270316.db2.gz UOYYVTQOTJEDOG-BBWFWOEESA-N 1 3 344.415 0.678 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@@H](O)Cc3ccccc3)C2)C1 ZINC001032183061 759378413 /nfs/dbraw/zinc/37/84/13/759378413.db2.gz YXZHVQPXHLWBPF-MSOLQXFVSA-N 1 3 331.460 0.590 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C[C@@H](O)Cc3ccccc3)C2)C1 ZINC001032183061 759378426 /nfs/dbraw/zinc/37/84/26/759378426.db2.gz YXZHVQPXHLWBPF-MSOLQXFVSA-N 1 3 331.460 0.590 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001107040037 759512646 /nfs/dbraw/zinc/51/26/46/759512646.db2.gz AFTNDDJISNKEJP-HUUCEWRRSA-N 1 3 339.484 0.036 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047867542 759627312 /nfs/dbraw/zinc/62/73/12/759627312.db2.gz KFFFLHBAACKWKB-KGLIPLIRSA-N 1 3 334.468 0.626 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001050100323 759701741 /nfs/dbraw/zinc/70/17/41/759701741.db2.gz ZCMNMEJZIVPCGS-FNYPPERVSA-N 1 3 349.475 0.155 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001050100323 759701743 /nfs/dbraw/zinc/70/17/43/759701743.db2.gz ZCMNMEJZIVPCGS-FNYPPERVSA-N 1 3 349.475 0.155 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047989229 759779758 /nfs/dbraw/zinc/77/97/58/759779758.db2.gz PGIFTEIVHWGGGD-ZBFHGGJFSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047989225 759780178 /nfs/dbraw/zinc/78/01/78/759780178.db2.gz PGIFTEIVHWGGGD-HOCLYGCPSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048007447 759815627 /nfs/dbraw/zinc/81/56/27/759815627.db2.gz MYHVWSVCDKIPGN-HZPDHXFCSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1nccn1C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048040424 759871130 /nfs/dbraw/zinc/87/11/30/759871130.db2.gz SJYJJQMNGJNJGP-HUUCEWRRSA-N 1 3 331.464 0.843 20 0 ECADHO CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1)OC ZINC001077582496 759895078 /nfs/dbraw/zinc/89/50/78/759895078.db2.gz JEOGUURINLYIKZ-RBSFLKMASA-N 1 3 339.436 0.541 20 0 ECADHO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1)OC ZINC001077582496 759895088 /nfs/dbraw/zinc/89/50/88/759895088.db2.gz JEOGUURINLYIKZ-RBSFLKMASA-N 1 3 339.436 0.541 20 0 ECADHO COc1cncc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001048061280 759902257 /nfs/dbraw/zinc/90/22/57/759902257.db2.gz AMAQJLWWXQKBPP-HUUCEWRRSA-N 1 3 347.463 0.908 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001050224778 759977443 /nfs/dbraw/zinc/97/74/43/759977443.db2.gz UZDIZSMBKSNPSL-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001048279170 760208467 /nfs/dbraw/zinc/20/84/67/760208467.db2.gz GZPPSJYAGCLEFR-UONOGXRCSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNCc1nncn1C ZINC001048302708 760260394 /nfs/dbraw/zinc/26/03/94/760260394.db2.gz FIRGAGJHMWURRE-LSDHHAIUSA-N 1 3 346.479 0.628 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050524992 760431235 /nfs/dbraw/zinc/43/12/35/760431235.db2.gz PLFFUTBQDXJLNK-RBSFLKMASA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524992 760431238 /nfs/dbraw/zinc/43/12/38/760431238.db2.gz PLFFUTBQDXJLNK-RBSFLKMASA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050546901 760469050 /nfs/dbraw/zinc/46/90/50/760469050.db2.gz SYNVTUOTKFDFQL-HNNXBMFYSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN([C@H]1CCN(C)C1=O)CC2 ZINC001050662681 760638654 /nfs/dbraw/zinc/63/86/54/760638654.db2.gz MDKYWKNCQYEIDN-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN([C@H]1CCN(C)C1=O)CC2 ZINC001050662681 760638660 /nfs/dbraw/zinc/63/86/60/760638660.db2.gz MDKYWKNCQYEIDN-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)N1CCC1 ZINC000995824518 760658837 /nfs/dbraw/zinc/65/88/37/760658837.db2.gz PUSCCEJUYDQJJW-JKSUJKDBSA-N 1 3 348.491 0.387 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050731064 760748266 /nfs/dbraw/zinc/74/82/66/760748266.db2.gz SFZVSKPDWFHYIV-HUUCEWRRSA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050731064 760748268 /nfs/dbraw/zinc/74/82/68/760748268.db2.gz SFZVSKPDWFHYIV-HUUCEWRRSA-N 1 3 336.480 0.517 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CCn3cncn3)C(C)(C)C2)CCC1 ZINC000995889941 760770190 /nfs/dbraw/zinc/77/01/90/760770190.db2.gz XHFSRPVDDWISKY-AWEZNQCLSA-N 1 3 334.468 0.589 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001127078457 760841772 /nfs/dbraw/zinc/84/17/72/760841772.db2.gz NWHRNOJKQSDOEA-JKSUJKDBSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001127078457 760841785 /nfs/dbraw/zinc/84/17/85/760841785.db2.gz NWHRNOJKQSDOEA-JKSUJKDBSA-N 1 3 336.480 0.718 20 0 ECADHO Cn1nccc1CCN1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014461109 762716563 /nfs/dbraw/zinc/71/65/63/762716563.db2.gz ZMMAVSSAZIYHKQ-WBVHZDCISA-N 1 3 331.464 0.495 20 0 ECADHO CC(C)(C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)N1CCCCC1 ZINC001127316825 768091878 /nfs/dbraw/zinc/09/18/78/768091878.db2.gz CBIQRVUYMXIROM-HNNXBMFYSA-N 1 3 337.468 0.214 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001051825384 763056190 /nfs/dbraw/zinc/05/61/90/763056190.db2.gz SSAGMWZZMLEZSR-HOCLYGCPSA-N 1 3 335.452 0.079 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CCO1 ZINC001051825890 763058699 /nfs/dbraw/zinc/05/86/99/763058699.db2.gz XEKKAISLQNWFSV-WMLDXEAASA-N 1 3 349.479 0.530 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)CCO1 ZINC001051825888 763058908 /nfs/dbraw/zinc/05/89/08/763058908.db2.gz XEKKAISLQNWFSV-RHSMWYFYSA-N 1 3 349.479 0.530 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001051848146 763102227 /nfs/dbraw/zinc/10/22/27/763102227.db2.gz LUDWRTUYMUBJLX-ZDUSSCGKSA-N 1 3 328.363 0.815 20 0 ECADHO Cc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001127653269 763103572 /nfs/dbraw/zinc/10/35/72/763103572.db2.gz PRZOCIAHKMBPPL-NVXWUHKLSA-N 1 3 346.475 0.657 20 0 ECADHO Cc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001127653269 763103577 /nfs/dbraw/zinc/10/35/77/763103577.db2.gz PRZOCIAHKMBPPL-NVXWUHKLSA-N 1 3 346.475 0.657 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001046833715 763196845 /nfs/dbraw/zinc/19/68/45/763196845.db2.gz HUVOBKLDLQKQJW-VQIMIIECSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001046833715 763196853 /nfs/dbraw/zinc/19/68/53/763196853.db2.gz HUVOBKLDLQKQJW-VQIMIIECSA-N 1 3 344.459 0.818 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046904614 763353411 /nfs/dbraw/zinc/35/34/11/763353411.db2.gz VYWUJBASDNFCMA-YJBOKZPZSA-N 1 3 347.463 0.790 20 0 ECADHO CN1CCC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046904887 763353983 /nfs/dbraw/zinc/35/39/83/763353983.db2.gz XEWNDVCGTUXAFU-PBHICJAKSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054649411 768126449 /nfs/dbraw/zinc/12/64/49/768126449.db2.gz MTUSKBKZPHJLIU-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)s1 ZINC001051929985 763360453 /nfs/dbraw/zinc/36/04/53/763360453.db2.gz GIFZWYZQIWXMAV-ZIAGYGMSSA-N 1 3 338.477 0.720 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)s1 ZINC001051929985 763360466 /nfs/dbraw/zinc/36/04/66/763360466.db2.gz GIFZWYZQIWXMAV-ZIAGYGMSSA-N 1 3 338.477 0.720 20 0 ECADHO O=C(N[C@]12CCC[C@@H]1[N@H+](CCCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000991927823 764680552 /nfs/dbraw/zinc/68/05/52/764680552.db2.gz BSGJVQJAPBNBBP-LRNINNFDSA-N 1 3 349.475 0.345 20 0 ECADHO O=C(N[C@]12CCC[C@@H]1[N@@H+](CCCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000991927823 764680558 /nfs/dbraw/zinc/68/05/58/764680558.db2.gz BSGJVQJAPBNBBP-LRNINNFDSA-N 1 3 349.475 0.345 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccn(C)c(=O)c1 ZINC001088981031 764685415 /nfs/dbraw/zinc/68/54/15/764685415.db2.gz ZOYGRLZJGKMYFO-INMHGKMJSA-N 1 3 346.475 0.806 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccn(C)c(=O)c1 ZINC001088981031 764685422 /nfs/dbraw/zinc/68/54/22/764685422.db2.gz ZOYGRLZJGKMYFO-INMHGKMJSA-N 1 3 346.475 0.806 20 0 ECADHO CN1CC[C@H](N2CCC[C@H](NC(=O)C34CCC[NH+]3CCC4)CC2)C1=O ZINC001052527586 764696372 /nfs/dbraw/zinc/69/63/72/764696372.db2.gz FNZNDVVLEBIVIF-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CCC[N@@H+](CCCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001052570446 764776613 /nfs/dbraw/zinc/77/66/13/764776613.db2.gz AUSINPJJXZCQIF-NDUQDZPOSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(N[C@@H]1CCC[N@H+](CCCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001052570446 764776622 /nfs/dbraw/zinc/77/66/22/764776622.db2.gz AUSINPJJXZCQIF-NDUQDZPOSA-N 1 3 337.464 0.203 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001052662064 764955438 /nfs/dbraw/zinc/95/54/38/764955438.db2.gz QNJIMWSLNTUDJC-GJZGRUSLSA-N 1 3 326.485 0.491 20 0 ECADHO O=C(N[C@H]1CCN(C[C@@H]2CCc3ncnn32)C1)C12CC[NH+](CC1)C2 ZINC001016003504 765701449 /nfs/dbraw/zinc/70/14/49/765701449.db2.gz IUVZGXGLEPIFEW-KBPBESRZSA-N 1 3 330.436 0.052 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001077498242 765713171 /nfs/dbraw/zinc/71/31/71/765713171.db2.gz KEDJTUUKXBFLCO-KKUMJFAQSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001077498242 765713178 /nfs/dbraw/zinc/71/31/78/765713178.db2.gz KEDJTUUKXBFLCO-KKUMJFAQSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)NC2C[NH+](CC3CCOCC3)C2)C1 ZINC001030839526 765963084 /nfs/dbraw/zinc/96/30/84/765963084.db2.gz MLKPLWSTOCYDPA-INIZCTEOSA-N 1 3 325.453 0.323 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001053355386 766021011 /nfs/dbraw/zinc/02/10/11/766021011.db2.gz GFPIAFXYEKFNCM-LSDHHAIUSA-N 1 3 326.485 0.489 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001053357385 766025709 /nfs/dbraw/zinc/02/57/09/766025709.db2.gz TWNYDXOILDPOEV-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127253926 766475491 /nfs/dbraw/zinc/47/54/91/766475491.db2.gz APEDEFRJKMYMLH-JKSUJKDBSA-N 1 3 336.480 0.435 20 0 ECADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127253926 766475493 /nfs/dbraw/zinc/47/54/93/766475493.db2.gz APEDEFRJKMYMLH-JKSUJKDBSA-N 1 3 336.480 0.435 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](n3cc(CNCC4CCC4)nn3)C2)C1 ZINC001089593714 766575958 /nfs/dbraw/zinc/57/59/58/766575958.db2.gz RIHZOOIELGFAFD-RDJZCZTQSA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](n3cc(CNCC4CCC4)nn3)C2)C1 ZINC001089593714 766575967 /nfs/dbraw/zinc/57/59/67/766575967.db2.gz RIHZOOIELGFAFD-RDJZCZTQSA-N 1 3 346.479 0.893 20 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/nfs/dbraw/zinc/91/31/34/766913134.db2.gz WPZPZOZRDNUCKY-MRXNPFEDSA-N 1 3 325.453 0.060 20 0 ECADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127261250 766958968 /nfs/dbraw/zinc/95/89/68/766958968.db2.gz IINCKDPRRDCIHD-GDBMZVCRSA-N 1 3 338.496 0.871 20 0 ECADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127261250 766958972 /nfs/dbraw/zinc/95/89/72/766958972.db2.gz IINCKDPRRDCIHD-GDBMZVCRSA-N 1 3 338.496 0.871 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(C[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016808358 766964013 /nfs/dbraw/zinc/96/40/13/766964013.db2.gz RFZGCKPPINQXPO-DZGCQCFKSA-N 1 3 336.480 0.433 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1)C1CCC1 ZINC000994855806 767045835 /nfs/dbraw/zinc/04/58/35/767045835.db2.gz UGHKFJXJXMIILS-DLBZAZTESA-N 1 3 348.491 0.815 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1)C1CCC1 ZINC000994855806 767045845 /nfs/dbraw/zinc/04/58/45/767045845.db2.gz UGHKFJXJXMIILS-DLBZAZTESA-N 1 3 348.491 0.815 20 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768801858 /nfs/dbraw/zinc/80/18/58/768801858.db2.gz HGKNUFWDULMZEG-OAGGEKHMSA-N 1 3 336.480 0.197 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055344881 768801865 /nfs/dbraw/zinc/80/18/65/768801865.db2.gz HGKNUFWDULMZEG-OAGGEKHMSA-N 1 3 336.480 0.197 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001018232368 768931999 /nfs/dbraw/zinc/93/19/99/768931999.db2.gz PDWLVVANWKVEFB-DZGCQCFKSA-N 1 3 347.463 0.790 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC2CC2)[C@H](C)C1 ZINC001106784628 768959323 /nfs/dbraw/zinc/95/93/23/768959323.db2.gz KITQGLKRQBVISV-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000993956589 769888616 /nfs/dbraw/zinc/88/86/16/769888616.db2.gz HQXGHFOXDNXYRA-MRXNPFEDSA-N 1 3 345.447 0.686 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000993956589 769888630 /nfs/dbraw/zinc/88/86/30/769888630.db2.gz HQXGHFOXDNXYRA-MRXNPFEDSA-N 1 3 345.447 0.686 20 0 ECADHO CCn1cc(CNC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)nn1 ZINC001106839926 770030838 /nfs/dbraw/zinc/03/08/38/770030838.db2.gz RXMQDMLBRMCVRE-HUUCEWRRSA-N 1 3 336.484 0.824 20 0 ECADHO CCn1cc(CNC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C)nn1 ZINC001106839926 770030850 /nfs/dbraw/zinc/03/08/50/770030850.db2.gz RXMQDMLBRMCVRE-HUUCEWRRSA-N 1 3 336.484 0.824 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001019044337 770650944 /nfs/dbraw/zinc/65/09/44/770650944.db2.gz SAEJLASSRUAANW-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)(C)N1CC[C@H](NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480063 771315025 /nfs/dbraw/zinc/31/50/25/771315025.db2.gz HUBMOWMJDGMLKS-CABCVRRESA-N 1 3 336.480 0.433 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001056545424 771369892 /nfs/dbraw/zinc/36/98/92/771369892.db2.gz IKFBKBNRJUVTTB-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056549233 771374342 /nfs/dbraw/zinc/37/43/42/771374342.db2.gz XRPMOCGTLYVKKI-ARFHVFGLSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001056549405 771374445 /nfs/dbraw/zinc/37/44/45/771374445.db2.gz ZTYSOGLZASZPCZ-CVEARBPZSA-N 1 3 338.496 0.870 20 0 ECADHO Cc1ncc(CN[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC001019576391 771519386 /nfs/dbraw/zinc/51/93/86/771519386.db2.gz UHGKFHNGHJYQJH-INIZCTEOSA-N 1 3 347.463 0.586 20 0 ECADHO C[NH+](C)CCCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001056725321 771561004 /nfs/dbraw/zinc/56/10/04/771561004.db2.gz MKCABKWXSVACOB-GOEBONIOSA-N 1 3 347.463 0.743 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCCO[C@H](C[NH2+]CC2CC2)C1 ZINC001078432470 782939686 /nfs/dbraw/zinc/93/96/86/782939686.db2.gz AJBNJMWGVTWONO-ISXWCOSWSA-N 1 3 349.475 0.467 20 0 ECADHO Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)[C@H](C)CN2CCOCC2)C1 ZINC001019779987 771789964 /nfs/dbraw/zinc/78/99/64/771789964.db2.gz CHRWEQWBPWBJMQ-HIFRSBDPSA-N 1 3 336.436 0.642 20 0 ECADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020161559 772230899 /nfs/dbraw/zinc/23/08/99/772230899.db2.gz HLETVZNNVNKMMW-IHRRRGAJSA-N 1 3 335.477 0.925 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179413 772252083 /nfs/dbraw/zinc/25/20/83/772252083.db2.gz ZYKWTBSZJGIZFS-ANQUJSFKSA-N 1 3 348.447 0.837 20 0 ECADHO CCc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020179413 772252086 /nfs/dbraw/zinc/25/20/86/772252086.db2.gz ZYKWTBSZJGIZFS-ANQUJSFKSA-N 1 3 348.447 0.837 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001078467722 783003190 /nfs/dbraw/zinc/00/31/90/783003190.db2.gz MCVWNIMMIDEMIW-LSDHHAIUSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001078467722 783003196 /nfs/dbraw/zinc/00/31/96/783003196.db2.gz MCVWNIMMIDEMIW-LSDHHAIUSA-N 1 3 326.485 0.822 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406201 772549268 /nfs/dbraw/zinc/54/92/68/772549268.db2.gz MWLGAVJFWQJILS-DOGFDCOKSA-N 1 3 349.475 0.513 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)CN1CCCC1 ZINC001044856600 774679630 /nfs/dbraw/zinc/67/96/30/774679630.db2.gz ACRRJZFZXXTQBM-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)CN1CCCC1 ZINC001044858790 774681876 /nfs/dbraw/zinc/68/18/76/774681876.db2.gz WFMQJMBGFWJREZ-GJZGRUSLSA-N 1 3 337.468 0.077 20 0 ECADHO CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)C1=O ZINC001045181269 775103269 /nfs/dbraw/zinc/10/32/69/775103269.db2.gz AQVQZJPRQAKIMI-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001045269279 775279475 /nfs/dbraw/zinc/27/94/75/775279475.db2.gz BDXPANJLYCELRK-IRXDYDNUSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044629734 776542166 /nfs/dbraw/zinc/54/21/66/776542166.db2.gz PBJMCNFXQDAXBV-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN(C)C1CCC1 ZINC001044629267 776542394 /nfs/dbraw/zinc/54/23/94/776542394.db2.gz KZCDHGVMUUNZDA-LSDHHAIUSA-N 1 3 334.468 0.732 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001079807120 776911518 /nfs/dbraw/zinc/91/15/18/776911518.db2.gz KRKJQIYAQKCASO-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CCN(C(=O)CCC[NH+]1CCCC1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001079923775 777090395 /nfs/dbraw/zinc/09/03/95/777090395.db2.gz AHBHILMJDSSPOY-UHFFFAOYSA-N 1 3 347.463 0.888 20 0 ECADHO CCN(C(=O)[C@H](C(C)C)N(C)C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079952239 777141001 /nfs/dbraw/zinc/14/10/01/777141001.db2.gz ZWCSSLOETDRSFX-KRWDZBQOSA-N 1 3 340.512 0.974 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001080017939 777238997 /nfs/dbraw/zinc/23/89/97/777238997.db2.gz AAUPDRVWFZBRGS-MRXNPFEDSA-N 1 3 338.496 0.728 20 0 ECADHO 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ZINC001080559833 778039021 /nfs/dbraw/zinc/03/90/21/778039021.db2.gz PBJTVTSHTXLGIW-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001078884812 780582807 /nfs/dbraw/zinc/58/28/07/780582807.db2.gz OXBBBSBJMTZABA-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440671 781520146 /nfs/dbraw/zinc/52/01/46/781520146.db2.gz PXSGEJLKRNCECZ-YJBOKZPZSA-N 1 3 348.491 0.803 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041488849 781617997 /nfs/dbraw/zinc/61/79/97/781617997.db2.gz LIHQPKRDHIAVHV-BDFRZKONSA-N 1 3 349.475 0.156 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041488849 781618001 /nfs/dbraw/zinc/61/80/01/781618001.db2.gz LIHQPKRDHIAVHV-BDFRZKONSA-N 1 3 349.475 0.156 20 0 ECADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+]([C@@H](CC)C(N)=O)CC2)N(C)C ZINC001040746077 783363732 /nfs/dbraw/zinc/36/37/32/783363732.db2.gz 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/nfs/dbraw/zinc/85/64/12/838856412.db2.gz NVSANCDWXMFAOI-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000418875919 282116261 /nfs/dbraw/zinc/11/62/61/282116261.db2.gz LJGVHLJXZOUJNK-HZPDHXFCSA-N 1 3 332.448 0.083 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@@H]1C ZINC000354661660 299088429 /nfs/dbraw/zinc/08/84/29/299088429.db2.gz LURMGARVCMWDBG-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@@H]1C ZINC000354661660 299088434 /nfs/dbraw/zinc/08/84/34/299088434.db2.gz LURMGARVCMWDBG-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000354700347 299099946 /nfs/dbraw/zinc/09/99/46/299099946.db2.gz ABOQVNJKSGPMEM-WBVHZDCISA-N 1 3 346.475 0.881 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000354788199 299126853 /nfs/dbraw/zinc/12/68/53/299126853.db2.gz LGZRPFOABLIGBR-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)NCCN3CCC([NH+](C)C)CC3)[C@@H]2C1 ZINC000425729151 210088583 /nfs/dbraw/zinc/08/85/83/210088583.db2.gz WBKRHKAVQPWGHA-DOTOQJQBSA-N 1 3 337.512 0.748 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000423226290 290805767 /nfs/dbraw/zinc/80/57/67/290805767.db2.gz QDTWLTSDMFPBML-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000420130824 282949611 /nfs/dbraw/zinc/94/96/11/282949611.db2.gz WNXSKZBNBOIZMX-RBSFLKMASA-N 1 3 326.485 0.999 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000355283563 299230431 /nfs/dbraw/zinc/23/04/31/299230431.db2.gz UIAWEVAOKLYHAJ-SOUVJXGZSA-N 1 3 326.485 0.822 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423413622 283231893 /nfs/dbraw/zinc/23/18/93/283231893.db2.gz LBHCDNPSPIBENX-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355884775 299314895 /nfs/dbraw/zinc/31/48/95/299314895.db2.gz XGOUHJKNBXYMKW-GDBMZVCRSA-N 1 3 338.496 0.633 20 0 ECADHO c1ccc(-n2nnnc2CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420320417 209352995 /nfs/dbraw/zinc/35/29/95/209352995.db2.gz QETJDLADHIYKNK-INIZCTEOSA-N 1 3 341.463 0.780 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000420206861 209340865 /nfs/dbraw/zinc/34/08/65/209340865.db2.gz FLIIVGBFMNCMTE-HUUCEWRRSA-N 1 3 336.480 0.649 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420076403 209298600 /nfs/dbraw/zinc/29/86/00/209298600.db2.gz VYIWJBSSUVVTDP-OAHLLOKOSA-N 1 3 326.485 0.810 20 0 ECADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420058550 209292011 /nfs/dbraw/zinc/29/20/11/209292011.db2.gz FFCVKOXDWBGJBV-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420058550 209292013 /nfs/dbraw/zinc/29/20/13/209292013.db2.gz FFCVKOXDWBGJBV-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO CC[N@H+](CCC1CCN(C(=O)C(=O)N[C@H](C)CN)CC1)CC1CC1 ZINC000420014867 209277517 /nfs/dbraw/zinc/27/75/17/209277517.db2.gz OZKWMTNVFXMWKA-CQSZACIVSA-N 1 3 338.496 0.810 20 0 ECADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)N[C@H](C)CN)CC1)CC1CC1 ZINC000420014867 209277521 /nfs/dbraw/zinc/27/75/21/209277521.db2.gz OZKWMTNVFXMWKA-CQSZACIVSA-N 1 3 338.496 0.810 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419982103 209268898 /nfs/dbraw/zinc/26/88/98/209268898.db2.gz SRHQTUDPMYJADE-CVEARBPZSA-N 1 3 336.480 0.579 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000419954137 209259719 /nfs/dbraw/zinc/25/97/19/209259719.db2.gz QAHRSNCTKIKGSH-CYBMUJFWSA-N 1 3 338.452 0.450 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000423761787 283760296 /nfs/dbraw/zinc/76/02/96/283760296.db2.gz SJZFCHILYRXBIH-QGZVFWFLSA-N 1 3 325.453 0.910 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCC[NH3+] ZINC000419833352 209217157 /nfs/dbraw/zinc/21/71/57/209217157.db2.gz KZXVEFDOLWSAII-UHFFFAOYSA-N 1 3 342.390 0.320 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000262977661 245279337 /nfs/dbraw/zinc/27/93/37/245279337.db2.gz YGVQRFRJPALRGM-QGZVFWFLSA-N 1 3 334.464 0.414 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419691663 209173309 /nfs/dbraw/zinc/17/33/09/209173309.db2.gz FKXDWQROKQGRDN-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419642335 209155044 /nfs/dbraw/zinc/15/50/44/209155044.db2.gz FUZJENQHSYTSHC-KBPBESRZSA-N 1 3 334.464 0.943 20 0 ECADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000419640626 209152969 /nfs/dbraw/zinc/15/29/69/209152969.db2.gz DGROEOPEUDCSQC-UKRRQHHQSA-N 1 3 332.448 0.710 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000419625858 209149571 /nfs/dbraw/zinc/14/95/71/209149571.db2.gz BOGCYQAERCMFJB-IBGZPJMESA-N 1 3 346.475 0.870 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000419555745 209125377 /nfs/dbraw/zinc/12/53/77/209125377.db2.gz HUGDHYCDOUJZQN-MBNYWOFBSA-N 1 3 338.477 0.711 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H](N)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000419535779 209119327 /nfs/dbraw/zinc/11/93/27/209119327.db2.gz ABOOFYGGMZRUJL-DZGCQCFKSA-N 1 3 334.464 0.895 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)C(C)(C)C[NH+](C)C ZINC000419545676 209121569 /nfs/dbraw/zinc/12/15/69/209121569.db2.gz MWKBRTZMMMVKPM-HZSPNIEDSA-N 1 3 326.485 0.665 20 0 ECADHO COC[C@H](C)OC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000447295840 211180987 /nfs/dbraw/zinc/18/09/87/211180987.db2.gz MPHUSCDYXDAVTD-RYRKJORJSA-N 1 3 343.512 0.499 20 0 ECADHO CN(C)[C@H]1CCC[C@@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000357237107 299543608 /nfs/dbraw/zinc/54/36/08/299543608.db2.gz GGAOJXPPWXHLBI-OLZOCXBDSA-N 1 3 331.482 0.142 20 0 ECADHO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(OCCN(C)C)cc1 ZINC000414171935 208394175 /nfs/dbraw/zinc/39/41/75/208394175.db2.gz DMPXAYATLFIZFA-GDBMZVCRSA-N 1 3 333.436 0.930 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(C[NH3+])CC2)C1 ZINC000430601930 210387174 /nfs/dbraw/zinc/38/71/74/210387174.db2.gz FISYMIUCNAYGSF-INIZCTEOSA-N 1 3 326.485 0.130 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419157355 209006065 /nfs/dbraw/zinc/00/60/65/209006065.db2.gz KUEUYGRCUYPKGC-HUUCEWRRSA-N 1 3 326.485 0.857 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@@H](C)[C@H]2C)CC1=O ZINC000262851508 285254909 /nfs/dbraw/zinc/25/49/09/285254909.db2.gz ZQPYTKNPSAKKOF-ZJIFWQFVSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@@H](C)[C@H]2C)CC1=O ZINC000262851508 285254914 /nfs/dbraw/zinc/25/49/14/285254914.db2.gz ZQPYTKNPSAKKOF-ZJIFWQFVSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419427269 209091668 /nfs/dbraw/zinc/09/16/68/209091668.db2.gz RROYYXSYVGCXJZ-MRXNPFEDSA-N 1 3 330.432 0.029 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419173826 209012066 /nfs/dbraw/zinc/01/20/66/209012066.db2.gz UOZZGECYVIFBEP-HOTGVXAUSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419198773 209020715 /nfs/dbraw/zinc/02/07/15/209020715.db2.gz CUEWKRMPDCHXAB-CYBMUJFWSA-N 1 3 336.436 0.049 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000419200454 209022720 /nfs/dbraw/zinc/02/27/20/209022720.db2.gz FIWDEZFLUXMFLO-HNNXBMFYSA-N 1 3 348.447 0.193 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419224153 209031821 /nfs/dbraw/zinc/03/18/21/209031821.db2.gz FHSDIPDQHBGNEJ-HZPDHXFCSA-N 1 3 336.480 0.625 20 0 ECADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419225484 209032765 /nfs/dbraw/zinc/03/27/65/209032765.db2.gz HDYJACAUPYTXST-OAGGEKHMSA-N 1 3 336.480 0.611 20 0 ECADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N(C)CCN ZINC000419223819 209032815 /nfs/dbraw/zinc/03/28/15/209032815.db2.gz DSNXLIBPYLVBIG-HUUCEWRRSA-N 1 3 346.475 0.676 20 0 ECADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419226007 209032897 /nfs/dbraw/zinc/03/28/97/209032897.db2.gz ICHBNXGDJGDSHZ-LPHOPBHVSA-N 1 3 348.491 0.579 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000419327309 209061803 /nfs/dbraw/zinc/06/18/03/209061803.db2.gz ZJSXEZGUKNAWGQ-INWMFGNUSA-N 1 3 330.432 0.544 20 0 ECADHO CN(C)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000118094191 221114742 /nfs/dbraw/zinc/11/47/42/221114742.db2.gz RMRBZLJJJAYCGW-UHFFFAOYSA-N 1 3 332.448 0.941 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000417742558 285321496 /nfs/dbraw/zinc/32/14/96/285321496.db2.gz BHJNOVQXPXEVSL-HZPDHXFCSA-N 1 3 327.517 0.933 20 0 ECADHO COC[C@@]1(CNC(=O)NC[C@@H]2NCCc3ccccc32)CCC[NH2+]1 ZINC000418646965 285324524 /nfs/dbraw/zinc/32/45/24/285324524.db2.gz XRRIHTQHIUKSOY-WMZOPIPTSA-N 1 3 332.448 0.941 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000419368449 209070859 /nfs/dbraw/zinc/07/08/59/209070859.db2.gz FWIUXKJKSBMBIX-INIZCTEOSA-N 1 3 340.512 0.975 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000104532640 296635276 /nfs/dbraw/zinc/63/52/76/296635276.db2.gz WLSKZEFZLDRJRU-UHFFFAOYSA-N 1 3 331.420 0.489 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000417441445 292349228 /nfs/dbraw/zinc/34/92/28/292349228.db2.gz QAZUCZQVEKINKC-ZDUSSCGKSA-N 1 3 334.411 0.784 20 0 ECADHO COC(=O)[C@H](O)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000191590869 165034878 /nfs/dbraw/zinc/03/48/78/165034878.db2.gz CGHHFXXEYOKJJF-QGZVFWFLSA-N 1 3 341.496 0.648 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000246383806 165132071 /nfs/dbraw/zinc/13/20/71/165132071.db2.gz KCQWFXQGPHSUEV-HOTGVXAUSA-N 1 3 338.496 0.491 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000246383806 165132074 /nfs/dbraw/zinc/13/20/74/165132074.db2.gz KCQWFXQGPHSUEV-HOTGVXAUSA-N 1 3 338.496 0.491 20 0 ECADHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000246802336 165143075 /nfs/dbraw/zinc/14/30/75/165143075.db2.gz AZSCGCXRWRFYSZ-MELADBBJSA-N 1 3 347.525 0.634 20 0 ECADHO C[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)N1CCC[C@H](C)C1 ZINC000262212393 165307678 /nfs/dbraw/zinc/30/76/78/165307678.db2.gz IXHSSDKNLKCKCY-ABFRBSLYSA-N 1 3 333.480 0.960 20 0 ECADHO C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CCCCN1 ZINC000262210188 165308445 /nfs/dbraw/zinc/30/84/45/165308445.db2.gz JSLCRUBIDZAVTG-HNNXBMFYSA-N 1 3 340.449 0.394 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262357912 165336988 /nfs/dbraw/zinc/33/69/88/165336988.db2.gz UYQGBWCYYRXRDC-OAHLLOKOSA-N 1 3 335.452 0.189 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000262517460 165358127 /nfs/dbraw/zinc/35/81/27/165358127.db2.gz UOEJNACUFBQBEA-BZUAXINKSA-N 1 3 336.480 0.435 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000262812072 165391885 /nfs/dbraw/zinc/39/18/85/165391885.db2.gz UPTGOPXKKHLFHI-CYBMUJFWSA-N 1 3 335.452 0.628 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)[C@@H]1C[NH3+] ZINC000418829523 287324842 /nfs/dbraw/zinc/32/48/42/287324842.db2.gz HAGTVFLOOBIAGC-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@H]1N(C)C ZINC000331637736 296950052 /nfs/dbraw/zinc/95/00/52/296950052.db2.gz IJTDAFJTRWGMLJ-FVQBIDKESA-N 1 3 336.480 0.243 20 0 ECADHO CC(C)N(C)C(=O)[C@H](C)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000177666880 263153904 /nfs/dbraw/zinc/15/39/04/263153904.db2.gz YYLOATNJJKTIMC-AWEZNQCLSA-N 1 3 326.485 0.632 20 0 ECADHO O=C(CNC[C@H]1CCCO1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000237922871 263175118 /nfs/dbraw/zinc/17/51/18/263175118.db2.gz OUVYGCWSLVAHJI-QGZVFWFLSA-N 1 3 339.480 0.858 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000284862183 264248313 /nfs/dbraw/zinc/24/83/13/264248313.db2.gz OCFQPLJHLDPUNR-HNNXBMFYSA-N 1 3 346.475 0.834 20 0 ECADHO CC[C@H](CNS(C)(=O)=O)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297451072 265151099 /nfs/dbraw/zinc/15/10/99/265151099.db2.gz PBHWSZHTMDHGBW-CYBMUJFWSA-N 1 3 326.466 0.968 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419700267 277388312 /nfs/dbraw/zinc/38/83/12/277388312.db2.gz SCENGUFDYKQJPV-GJZGRUSLSA-N 1 3 326.485 0.713 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340206668 437597108 /nfs/dbraw/zinc/59/71/08/437597108.db2.gz OYWZRHSXLPVCKY-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340206668 437597110 /nfs/dbraw/zinc/59/71/10/437597110.db2.gz OYWZRHSXLPVCKY-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCN1CC[NH2+]CC1 ZINC000414784159 278291683 /nfs/dbraw/zinc/29/16/83/278291683.db2.gz ROSRELJVTYTVID-HNNXBMFYSA-N 1 3 325.478 0.734 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410882343 279038076 /nfs/dbraw/zinc/03/80/76/279038076.db2.gz FFXSCZNVHWAYCM-OAHLLOKOSA-N 1 3 326.485 0.585 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410882343 279038079 /nfs/dbraw/zinc/03/80/79/279038079.db2.gz FFXSCZNVHWAYCM-OAHLLOKOSA-N 1 3 326.485 0.585 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419018067 279135392 /nfs/dbraw/zinc/13/53/92/279135392.db2.gz BLNWTNVQZDDZOJ-XUWVNRHRSA-N 1 3 340.512 0.959 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419708428 279135675 /nfs/dbraw/zinc/13/56/75/279135675.db2.gz FZFYOMPJHGKRQE-LSDHHAIUSA-N 1 3 326.485 0.857 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000420105068 279148969 /nfs/dbraw/zinc/14/89/69/279148969.db2.gz RWYIGFLDCKQMDV-QGZVFWFLSA-N 1 3 344.459 0.849 20 0 ECADHO C[C@@H]1C[N@@H+](CC2CCN(CCN3C(=O)CCC3=O)CC2)C[C@H](C)O1 ZINC000171304893 288152529 /nfs/dbraw/zinc/15/25/29/288152529.db2.gz BSBVDUAGXZUFQX-GASCZTMLSA-N 1 3 337.464 0.957 20 0 ECADHO C[C@@H]1C[N@H+](CC2CCN(CCN3C(=O)CCC3=O)CC2)C[C@H](C)O1 ZINC000171304893 288152531 /nfs/dbraw/zinc/15/25/31/288152531.db2.gz BSBVDUAGXZUFQX-GASCZTMLSA-N 1 3 337.464 0.957 20 0 ECADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCCN1CC[NH2+]CC1 ZINC000423202745 280397100 /nfs/dbraw/zinc/39/71/00/280397100.db2.gz LEIPYLPVSSNPJL-AWEZNQCLSA-N 1 3 340.493 0.507 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418607198 281001128 /nfs/dbraw/zinc/00/11/28/281001128.db2.gz CNJLJWXVJPPXFC-GJZGRUSLSA-N 1 3 326.485 0.911 20 0 ECADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343640427 437610330 /nfs/dbraw/zinc/61/03/30/437610330.db2.gz MVJHHKMYIIPGRM-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000343640427 437610332 /nfs/dbraw/zinc/61/03/32/437610332.db2.gz MVJHHKMYIIPGRM-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000423222541 289508415 /nfs/dbraw/zinc/50/84/15/289508415.db2.gz BOUFXRDHYZXLED-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@]3(C1)CCC[N@H+](C)C3)CC2 ZINC000410728989 290317283 /nfs/dbraw/zinc/31/72/83/290317283.db2.gz GVVLGXRIYKGJHO-GJYPPUQNSA-N 1 3 348.491 0.626 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@]3(C1)CCC[N@@H+](C)C3)CC2 ZINC000410728989 290317286 /nfs/dbraw/zinc/31/72/86/290317286.db2.gz GVVLGXRIYKGJHO-GJYPPUQNSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000340296045 437617490 /nfs/dbraw/zinc/61/74/90/437617490.db2.gz SNLJGBMJPJNJPQ-GASCZTMLSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000340296045 437617494 /nfs/dbraw/zinc/61/74/94/437617494.db2.gz SNLJGBMJPJNJPQ-GASCZTMLSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332626208 297060162 /nfs/dbraw/zinc/06/01/62/297060162.db2.gz DMNQTGLOSKKJMH-XHSDSOJGSA-N 1 3 336.480 0.659 20 0 ECADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000422874757 295248678 /nfs/dbraw/zinc/24/86/78/295248678.db2.gz BABQABAGYHAPKR-HOTGVXAUSA-N 1 3 346.479 0.622 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000422874757 295248681 /nfs/dbraw/zinc/24/86/81/295248681.db2.gz BABQABAGYHAPKR-HOTGVXAUSA-N 1 3 346.479 0.622 20 0 ECADHO CN(C)[C@]1(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCSC1 ZINC000333299144 297122278 /nfs/dbraw/zinc/12/22/78/297122278.db2.gz ISEWSXYRKDVNFS-ZBFHGGJFSA-N 1 3 341.525 0.113 20 0 ECADHO C[NH+](C)C1(CNC(=O)N2CCOC3(CNC3)C2)Cc2ccccc2C1 ZINC000333423855 297132855 /nfs/dbraw/zinc/13/28/55/297132855.db2.gz SXQRZHNRQBXLDX-UHFFFAOYSA-N 1 3 344.459 0.469 20 0 ECADHO CN(C)[C@@]1(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCSC1 ZINC000333465863 297136831 /nfs/dbraw/zinc/13/68/31/297136831.db2.gz ZWZTUYCTQHQCOC-GOEBONIOSA-N 1 3 341.525 0.113 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000339575528 297360786 /nfs/dbraw/zinc/36/07/86/297360786.db2.gz WIQKRQOVNCJHDW-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000339575528 297360787 /nfs/dbraw/zinc/36/07/87/297360787.db2.gz WIQKRQOVNCJHDW-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1CCN(C)CC1 ZINC000339638759 297368127 /nfs/dbraw/zinc/36/81/27/297368127.db2.gz PZWSDDXROYJRBU-RBSFLKMASA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000345502146 298164900 /nfs/dbraw/zinc/16/49/00/298164900.db2.gz GTQSXPIHLOMECS-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000345754336 298189976 /nfs/dbraw/zinc/18/99/76/298189976.db2.gz QWWFIBCAEMAZCZ-XHSDSOJGSA-N 1 3 326.485 0.861 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000346530544 298286623 /nfs/dbraw/zinc/28/66/23/298286623.db2.gz NADFODZQZXKFPX-COXVUDFISA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000346530544 298286628 /nfs/dbraw/zinc/28/66/28/298286628.db2.gz NADFODZQZXKFPX-COXVUDFISA-N 1 3 348.491 0.718 20 0 ECADHO CN1CCN(c2ncc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn2)CC1 ZINC000346853523 298354897 /nfs/dbraw/zinc/35/48/97/298354897.db2.gz SULKLZKWZHERLH-YESZJQIVSA-N 1 3 330.480 0.788 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352096876 298884639 /nfs/dbraw/zinc/88/46/39/298884639.db2.gz LHGALEBBGIYBFQ-FMKPAKJESA-N 1 3 326.485 0.570 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)C2)CC1 ZINC000370787803 300861276 /nfs/dbraw/zinc/86/12/76/300861276.db2.gz OMKGFOIAYOJOQN-HZPDHXFCSA-N 1 3 340.537 0.708 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nc(C)no1 ZINC000074066695 436101973 /nfs/dbraw/zinc/10/19/73/436101973.db2.gz ZBQDQHPJTWHZNB-AWEZNQCLSA-N 1 3 338.456 0.936 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nc(C)no1 ZINC000074066695 436101977 /nfs/dbraw/zinc/10/19/77/436101977.db2.gz ZBQDQHPJTWHZNB-AWEZNQCLSA-N 1 3 338.456 0.936 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1=O ZINC000371226772 300897836 /nfs/dbraw/zinc/89/78/36/300897836.db2.gz CLYSBVYQOSGUNI-ARFHVFGLSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1=O ZINC000074249886 436118308 /nfs/dbraw/zinc/11/83/08/436118308.db2.gz ALKVELCWMHXOKY-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000079167761 436290420 /nfs/dbraw/zinc/29/04/20/436290420.db2.gz IOHBQAXRGGNJTI-IAGOWNOFSA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000079167761 436290425 /nfs/dbraw/zinc/29/04/25/436290425.db2.gz IOHBQAXRGGNJTI-IAGOWNOFSA-N 1 3 337.512 0.938 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081680033 436354336 /nfs/dbraw/zinc/35/43/36/436354336.db2.gz FHGVAVDEPUAVQX-SJORKVTESA-N 1 3 348.491 0.627 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081680033 436354342 /nfs/dbraw/zinc/35/43/42/436354342.db2.gz FHGVAVDEPUAVQX-SJORKVTESA-N 1 3 348.491 0.627 20 0 ECADHO CN1CCN([C@@H]2CCCCN(C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC000091843979 436463319 /nfs/dbraw/zinc/46/33/19/436463319.db2.gz WNCCEXULEJEKTJ-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCN(C)C3)CC2)CC1 ZINC000051777727 436495546 /nfs/dbraw/zinc/49/55/46/436495546.db2.gz CVQIFRZBDYSZBP-INIZCTEOSA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1=O ZINC000531281229 302047138 /nfs/dbraw/zinc/04/71/38/302047138.db2.gz LEFXHVJAOPWUIG-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000535011903 302115759 /nfs/dbraw/zinc/11/57/59/302115759.db2.gz QRPKUGCETSMCDB-KRWDZBQOSA-N 1 3 331.464 0.362 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1=CCCCC1 ZINC000549896107 302342291 /nfs/dbraw/zinc/34/22/91/302342291.db2.gz RKCSMBALFWNMIS-UHFFFAOYSA-N 1 3 338.496 0.945 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000237171595 436725375 /nfs/dbraw/zinc/72/53/75/436725375.db2.gz WFZFMEXTDNGZGU-UHFFFAOYSA-N 1 3 332.448 0.594 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCN1CCCC1=O ZINC000068128289 436735661 /nfs/dbraw/zinc/73/56/61/436735661.db2.gz NXXTWRAKZRZWAR-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCN1CCCC1=O ZINC000068128289 436735665 /nfs/dbraw/zinc/73/56/65/436735665.db2.gz NXXTWRAKZRZWAR-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000238100187 436754813 /nfs/dbraw/zinc/75/48/13/436754813.db2.gz HTVLFJCKGBZJID-OAHLLOKOSA-N 1 3 334.464 0.143 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000128067865 436811390 /nfs/dbraw/zinc/81/13/90/436811390.db2.gz UFYOHGWEPPZUOB-IAGOWNOFSA-N 1 3 348.491 0.626 20 0 ECADHO COCCN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000154974657 436788098 /nfs/dbraw/zinc/78/80/98/436788098.db2.gz BKHJRASLNFWIGH-KRWDZBQOSA-N 1 3 339.480 0.857 20 0 ECADHO COCCN1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000154974657 436788102 /nfs/dbraw/zinc/78/81/02/436788102.db2.gz BKHJRASLNFWIGH-KRWDZBQOSA-N 1 3 339.480 0.857 20 0 ECADHO COC[C@@](C)(CCO)NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274157881 436801672 /nfs/dbraw/zinc/80/16/72/436801672.db2.gz YYTSPHNMENDSOI-SJLPKXTDSA-N 1 3 337.464 0.783 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000262306221 436922657 /nfs/dbraw/zinc/92/26/57/436922657.db2.gz AXCQIHNRXPRURK-SJORKVTESA-N 1 3 332.448 0.485 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262293409 436923458 /nfs/dbraw/zinc/92/34/58/436923458.db2.gz OXJNJIFCRLACFV-UHFFFAOYSA-N 1 3 335.448 0.999 20 0 ECADHO Cc1cccc(N2CCN(CCC(=O)N3CCO[C@H](C[NH3+])C3)CC2)c1 ZINC000274846099 436882810 /nfs/dbraw/zinc/88/28/10/436882810.db2.gz XNOXSCNSPKGYBK-GOSISDBHSA-N 1 3 346.475 0.693 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000262035138 436902864 /nfs/dbraw/zinc/90/28/64/436902864.db2.gz PRUQPKHWIIFXIY-CVEARBPZSA-N 1 3 348.447 0.101 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000420447819 302805879 /nfs/dbraw/zinc/80/58/79/302805879.db2.gz IYQYRDBGCHOIOM-CQSZACIVSA-N 1 3 345.513 0.713 20 0 ECADHO C[NH+](C)[C@@H](CNC(=O)CN(CCO)C1CCOCC1)c1ccccc1 ZINC000275647741 436995975 /nfs/dbraw/zinc/99/59/75/436995975.db2.gz WUUBAGRYDOHTEF-SFHVURJKSA-N 1 3 349.475 0.879 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000173388549 437047544 /nfs/dbraw/zinc/04/75/44/437047544.db2.gz JEIMZJCODGGDCF-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000173828602 437066654 /nfs/dbraw/zinc/06/66/54/437066654.db2.gz VSSGBYFYCWITTM-CVEARBPZSA-N 1 3 327.517 0.899 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331695674 437146475 /nfs/dbraw/zinc/14/64/75/437146475.db2.gz ZATQWDASLMBORN-FZKCQIBNSA-N 1 3 336.480 0.515 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CCSC1 ZINC000276749301 437156611 /nfs/dbraw/zinc/15/66/11/437156611.db2.gz CEVUCMQCFDNISM-CZUORRHYSA-N 1 3 337.493 0.975 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000331632713 437133277 /nfs/dbraw/zinc/13/32/77/437133277.db2.gz LZTKSXUXNGQUIA-ZIAGYGMSSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000331632713 437133279 /nfs/dbraw/zinc/13/32/79/437133279.db2.gz LZTKSXUXNGQUIA-ZIAGYGMSSA-N 1 3 340.468 0.158 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000331632713 437133281 /nfs/dbraw/zinc/13/32/81/437133281.db2.gz LZTKSXUXNGQUIA-ZIAGYGMSSA-N 1 3 340.468 0.158 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)/C=C/C[NH+](C)C)c1 ZINC000265681694 437175482 /nfs/dbraw/zinc/17/54/82/437175482.db2.gz WAFJLDIZGGAJQG-RMKNXTFCSA-N 1 3 332.448 0.712 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333358857 437268572 /nfs/dbraw/zinc/26/85/72/437268572.db2.gz KSPFPPGEUQOLKP-IAGOWNOFSA-N 1 3 337.512 0.940 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000332553034 437229728 /nfs/dbraw/zinc/22/97/28/437229728.db2.gz KTHJUEKEVBWBGS-KLHDSHLOSA-N 1 3 336.480 0.671 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc(C[NH3+])cc2)cn1 ZINC000178812270 437230439 /nfs/dbraw/zinc/23/04/39/437230439.db2.gz IWPLFECVCDQNIK-UHFFFAOYSA-N 1 3 344.419 0.272 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCC(C)CC1 ZINC000333753047 437284259 /nfs/dbraw/zinc/28/42/59/437284259.db2.gz KFHKKSFXBMLVHS-DLBZAZTESA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)c1cncc(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000288168189 437288261 /nfs/dbraw/zinc/28/82/61/437288261.db2.gz MKGBQHNRVMCEJB-STQMWFEESA-N 1 3 335.452 0.441 20 0 ECADHO Cc1cc(NC(=O)CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)no1 ZINC000328966176 437295646 /nfs/dbraw/zinc/29/56/46/437295646.db2.gz SNVXHJJFCZNJFA-HOCLYGCPSA-N 1 3 349.479 1.269 20 0 ECADHO O[C@@H]1CC[C@@H]2CN(CC3(C[N@@H+]4C[C@@H]5CC[C@H](O)[C@@H]5C4)COC3)C[C@H]12 ZINC000329281826 437345343 /nfs/dbraw/zinc/34/53/43/437345343.db2.gz AFTUTTFOICACKS-CKYTUPMTSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2CN(CC3(C[N@H+]4C[C@@H]5CC[C@H](O)[C@@H]5C4)COC3)C[C@H]12 ZINC000329281826 437345348 /nfs/dbraw/zinc/34/53/48/437345348.db2.gz AFTUTTFOICACKS-CKYTUPMTSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2C[N@@H+](CC3(CN4C[C@@H]5CC[C@H](O)[C@@H]5C4)COC3)C[C@H]12 ZINC000329281826 437345353 /nfs/dbraw/zinc/34/53/53/437345353.db2.gz AFTUTTFOICACKS-CKYTUPMTSA-N 1 3 336.476 0.408 20 0 ECADHO O[C@@H]1CC[C@@H]2C[N@H+](CC3(CN4C[C@@H]5CC[C@H](O)[C@@H]5C4)COC3)C[C@H]12 ZINC000329281826 437345357 /nfs/dbraw/zinc/34/53/57/437345357.db2.gz AFTUTTFOICACKS-CKYTUPMTSA-N 1 3 336.476 0.408 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)N(C)C1CC1 ZINC000339583241 437473564 /nfs/dbraw/zinc/47/35/64/437473564.db2.gz HNEVGELGAMVTIU-CQSZACIVSA-N 1 3 338.496 0.966 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000339582082 437473972 /nfs/dbraw/zinc/47/39/72/437473972.db2.gz QEPFUJDCFHCYSL-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000339582082 437473976 /nfs/dbraw/zinc/47/39/76/437473976.db2.gz QEPFUJDCFHCYSL-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)N(C)C1CC1 ZINC000339583240 437474051 /nfs/dbraw/zinc/47/40/51/437474051.db2.gz HNEVGELGAMVTIU-AWEZNQCLSA-N 1 3 338.496 0.966 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000339619665 437479217 /nfs/dbraw/zinc/47/92/17/437479217.db2.gz VPABPUMOEKONLI-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCN1C ZINC000339651401 437485090 /nfs/dbraw/zinc/48/50/90/437485090.db2.gz NLYIVRJZNIUQKJ-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000268964905 437441269 /nfs/dbraw/zinc/44/12/69/437441269.db2.gz GSEDUGJXGIVALL-ZDUSSCGKSA-N 1 3 341.477 0.702 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339951168 437529099 /nfs/dbraw/zinc/52/90/99/437529099.db2.gz VTKPEMYZHKKJMC-AWEZNQCLSA-N 1 3 336.480 0.578 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339951168 437529105 /nfs/dbraw/zinc/52/91/05/437529105.db2.gz VTKPEMYZHKKJMC-AWEZNQCLSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000339669055 437488987 /nfs/dbraw/zinc/48/89/87/437488987.db2.gz NKBJLKXJDKWWPK-GASCZTMLSA-N 1 3 338.496 0.966 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000360170680 437546624 /nfs/dbraw/zinc/54/66/24/437546624.db2.gz JXKJGERZZZXFQG-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000360170680 437546630 /nfs/dbraw/zinc/54/66/30/437546630.db2.gz JXKJGERZZZXFQG-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360257228 437568446 /nfs/dbraw/zinc/56/84/46/437568446.db2.gz JZWNJYPNCGJHEB-OAHLLOKOSA-N 1 3 332.514 0.691 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360257228 437568450 /nfs/dbraw/zinc/56/84/50/437568450.db2.gz JZWNJYPNCGJHEB-OAHLLOKOSA-N 1 3 332.514 0.691 20 0 ECADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343695797 437629678 /nfs/dbraw/zinc/62/96/78/437629678.db2.gz QRAYBASYCCEMSC-IRXDYDNUSA-N 1 3 336.480 0.136 20 0 ECADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCN(C)C1CC1 ZINC000340357908 437637074 /nfs/dbraw/zinc/63/70/74/437637074.db2.gz YJWZNAWBVQSWGU-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCN(C)C1CC1 ZINC000340357908 437637081 /nfs/dbraw/zinc/63/70/81/437637081.db2.gz YJWZNAWBVQSWGU-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340434068 437645874 /nfs/dbraw/zinc/64/58/74/437645874.db2.gz RHEJSQSVABNFFF-CZUORRHYSA-N 1 3 344.525 0.386 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340476707 437658595 /nfs/dbraw/zinc/65/85/95/437658595.db2.gz AWTGTLVMBGYODP-INMHGKMJSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340476707 437658599 /nfs/dbraw/zinc/65/85/99/437658599.db2.gz AWTGTLVMBGYODP-INMHGKMJSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000340478731 437658854 /nfs/dbraw/zinc/65/88/54/437658854.db2.gz HKUZWPDWLLXDMU-IXDOHACOSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000340478731 437658855 /nfs/dbraw/zinc/65/88/55/437658855.db2.gz HKUZWPDWLLXDMU-IXDOHACOSA-N 1 3 348.491 0.816 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340479078 437659303 /nfs/dbraw/zinc/65/93/03/437659303.db2.gz OYKBKDZRBPCRQA-NCOADZHNSA-N 1 3 348.491 0.815 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340479078 437659306 /nfs/dbraw/zinc/65/93/06/437659306.db2.gz OYKBKDZRBPCRQA-NCOADZHNSA-N 1 3 348.491 0.815 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340507910 437677611 /nfs/dbraw/zinc/67/76/11/437677611.db2.gz GZVZQSXHGHEFNF-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340507910 437677616 /nfs/dbraw/zinc/67/76/16/437677616.db2.gz GZVZQSXHGHEFNF-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000355270145 437691964 /nfs/dbraw/zinc/69/19/64/437691964.db2.gz JKRFQNOTLIWPLL-KBPBESRZSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000355270786 437693002 /nfs/dbraw/zinc/69/30/02/437693002.db2.gz JKRFQNOTLIWPLL-ZIAGYGMSSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)CN1CCN(C)CC1 ZINC000362073360 437714180 /nfs/dbraw/zinc/71/41/80/437714180.db2.gz VYVCCVQEMJVWIA-HZPDHXFCSA-N 1 3 325.501 0.463 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2)Cc1ccco1 ZINC000344037662 437723925 /nfs/dbraw/zinc/72/39/25/437723925.db2.gz YHAKMKZRWQZIMR-QGZVFWFLSA-N 1 3 334.464 0.950 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1C[N@H+]2CCN1CCC2)Cc1ccco1 ZINC000344037662 437723930 /nfs/dbraw/zinc/72/39/30/437723930.db2.gz YHAKMKZRWQZIMR-QGZVFWFLSA-N 1 3 334.464 0.950 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000340790316 437735797 /nfs/dbraw/zinc/73/57/97/437735797.db2.gz CVYQAJOIPFVMNR-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000340790316 437735802 /nfs/dbraw/zinc/73/58/02/437735802.db2.gz CVYQAJOIPFVMNR-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000340790094 437735843 /nfs/dbraw/zinc/73/58/43/437735843.db2.gz HRKMENGSYJYVQV-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+](CCCN1C(=O)CNC1=O)CCN1CCN(CC)CC1 ZINC000344146339 437738966 /nfs/dbraw/zinc/73/89/66/437738966.db2.gz PQMRMVZZIDNBKU-UHFFFAOYSA-N 1 3 339.484 0.278 20 0 ECADHO CCC[N@@H+](CCCN1C(=O)CNC1=O)CCN1CCN(CC)CC1 ZINC000344146339 437738969 /nfs/dbraw/zinc/73/89/69/437738969.db2.gz PQMRMVZZIDNBKU-UHFFFAOYSA-N 1 3 339.484 0.278 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423734793 437817782 /nfs/dbraw/zinc/81/77/82/437817782.db2.gz WKOODHKRPPVEOJ-IVSAIRAKSA-N 1 3 338.496 0.950 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423734793 437817786 /nfs/dbraw/zinc/81/77/86/437817786.db2.gz WKOODHKRPPVEOJ-IVSAIRAKSA-N 1 3 338.496 0.950 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)CC1=O ZINC000356547344 437783491 /nfs/dbraw/zinc/78/34/91/437783491.db2.gz LAROSCFDWBLVNC-BFYDXBDKSA-N 1 3 348.491 0.672 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)CC1=O ZINC000356547344 437783495 /nfs/dbraw/zinc/78/34/95/437783495.db2.gz LAROSCFDWBLVNC-BFYDXBDKSA-N 1 3 348.491 0.672 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)ccc1OCCN(C)C ZINC000415352458 437788792 /nfs/dbraw/zinc/78/87/92/437788792.db2.gz KNYJBGJERDFTDX-ZDUSSCGKSA-N 1 3 334.420 0.434 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423717236 437812540 /nfs/dbraw/zinc/81/25/40/437812540.db2.gz AEPWJWAXBBYSRF-YESZJQIVSA-N 1 3 344.459 0.492 20 0 ECADHO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000415777452 437857842 /nfs/dbraw/zinc/85/78/42/437857842.db2.gz CTZQALPVAQKKDE-CQSZACIVSA-N 1 3 347.463 0.621 20 0 ECADHO CN(CC(=O)NCC(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304702 437914219 /nfs/dbraw/zinc/91/42/19/437914219.db2.gz JUGQILMCBGZMMC-ZDUSSCGKSA-N 1 3 336.402 0.765 20 0 ECADHO COCCN(C)CCCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415968126 437882675 /nfs/dbraw/zinc/88/26/75/437882675.db2.gz XFWNDJDIZCWSPV-AWEZNQCLSA-N 1 3 335.452 0.987 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1(C)C ZINC000416038634 437886494 /nfs/dbraw/zinc/88/64/94/437886494.db2.gz DXOMNLVTEPZMBC-NSHDSACASA-N 1 3 339.406 0.591 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000371270314 437907383 /nfs/dbraw/zinc/90/73/83/437907383.db2.gz DRPOTZLBABPWGE-GDBMZVCRSA-N 1 3 348.495 0.614 20 0 ECADHO C[NH2+]CCCC(=O)NCc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000371270721 437909228 /nfs/dbraw/zinc/90/92/28/437909228.db2.gz HUJSKWHYSHLRNW-UHFFFAOYSA-N 1 3 336.484 0.486 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000342007092 437939257 /nfs/dbraw/zinc/93/92/57/437939257.db2.gz GVWMKMDGUVRXFF-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000342007096 437940840 /nfs/dbraw/zinc/94/08/40/437940840.db2.gz GVWMKMDGUVRXFF-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)N(C)C1CC1 ZINC000342094445 437966591 /nfs/dbraw/zinc/96/65/91/437966591.db2.gz YPMYZGDKAKYUGG-YCPHGPKFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)N(C)C1CC1 ZINC000342094445 437966594 /nfs/dbraw/zinc/96/65/94/437966594.db2.gz YPMYZGDKAKYUGG-YCPHGPKFSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N(CCC[NH3+])CC2CCCC2)CC1=O ZINC000357370859 437973974 /nfs/dbraw/zinc/97/39/74/437973974.db2.gz ZFJCHRVVFVUFFR-INIZCTEOSA-N 1 3 338.496 0.764 20 0 ECADHO [NH3+][C@H]1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417371253 438043465 /nfs/dbraw/zinc/04/34/65/438043465.db2.gz VNVIUHCTBDXGOA-HNNXBMFYSA-N 1 3 332.452 0.336 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417417926 438048646 /nfs/dbraw/zinc/04/86/46/438048646.db2.gz AUIYIHWXILYUFC-KGLIPLIRSA-N 1 3 327.473 0.226 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCNC(C)(C)C1 ZINC000417434489 438049093 /nfs/dbraw/zinc/04/90/93/438049093.db2.gz XEWLLQNYPPZJDW-CQSZACIVSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCNC(C)(C)C1 ZINC000417434489 438049097 /nfs/dbraw/zinc/04/90/97/438049097.db2.gz XEWLLQNYPPZJDW-CQSZACIVSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CCN1C ZINC000348022284 438003757 /nfs/dbraw/zinc/00/37/57/438003757.db2.gz RGAIXYHCPVJMAW-QVOMUQBLSA-N 1 3 336.480 0.718 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NCC[C@H]2CCC[NH2+]2)ccn1 ZINC000417958189 438094687 /nfs/dbraw/zinc/09/46/87/438094687.db2.gz UYZCRDHBJJHPNW-OAHLLOKOSA-N 1 3 335.452 0.963 20 0 ECADHO COCC[NH2+]CCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000417965655 438097017 /nfs/dbraw/zinc/09/70/17/438097017.db2.gz HYTHKLCTODEJQD-UHFFFAOYSA-N 1 3 335.452 0.833 20 0 ECADHO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)N1CCc2ccccc2C1 ZINC000357922616 438098581 /nfs/dbraw/zinc/09/85/81/438098581.db2.gz NKLKNQMVDXKGQE-BZSNNMDCSA-N 1 3 331.460 0.908 20 0 ECADHO COCCN(C)CC[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000357924832 438101586 /nfs/dbraw/zinc/10/15/86/438101586.db2.gz OUJLATXLQGYENN-YESZJQIVSA-N 1 3 335.448 0.535 20 0 ECADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000417527534 438059259 /nfs/dbraw/zinc/05/92/59/438059259.db2.gz OEOLPRFBTZRYFK-FVQHAEBGSA-N 1 3 332.448 0.687 20 0 ECADHO C[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)CN1CCN(C)CC1 ZINC000417753589 438074907 /nfs/dbraw/zinc/07/49/07/438074907.db2.gz OPVRCXDRUFUAMW-ZBFHGGJFSA-N 1 3 325.501 0.687 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000417755290 438075069 /nfs/dbraw/zinc/07/50/69/438075069.db2.gz XJMJUAKZJAWYBI-SJLPKXTDSA-N 1 3 339.528 0.949 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000417754492 438075794 /nfs/dbraw/zinc/07/57/94/438075794.db2.gz PLHDEGJWPDXUJV-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccncc1OCCN(C)C ZINC000418185842 438116489 /nfs/dbraw/zinc/11/64/89/438116489.db2.gz BMLPOCJJTXUBBQ-ZFWWWQNUSA-N 1 3 335.452 0.962 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CCOC2CNC2)[C@@H](C)C1 ZINC000349000448 438125797 /nfs/dbraw/zinc/12/57/97/438125797.db2.gz NHRDLQRNPTXRMQ-HOCLYGCPSA-N 1 3 327.469 0.618 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CCOC2CNC2)[C@@H](C)C1 ZINC000349000448 438125801 /nfs/dbraw/zinc/12/58/01/438125801.db2.gz NHRDLQRNPTXRMQ-HOCLYGCPSA-N 1 3 327.469 0.618 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000418069510 438106199 /nfs/dbraw/zinc/10/61/99/438106199.db2.gz PMYNPEXTIASXTK-HNNXBMFYSA-N 1 3 326.485 0.984 20 0 ECADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)N[C@H]1CCC[NH2+]C1 ZINC000418502293 438149843 /nfs/dbraw/zinc/14/98/43/438149843.db2.gz UURRPKGJPWHOHM-OKZBNKHCSA-N 1 3 346.475 0.921 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000418686534 438175420 /nfs/dbraw/zinc/17/54/20/438175420.db2.gz KDLCTPKASPRVNP-AWEZNQCLSA-N 1 3 327.473 0.309 20 0 ECADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418713091 438178875 /nfs/dbraw/zinc/17/88/75/438178875.db2.gz WQPVBOFPWJTUQA-OAHLLOKOSA-N 1 3 339.484 0.454 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418755709 438182911 /nfs/dbraw/zinc/18/29/11/438182911.db2.gz GECINUJXYZZMMK-OAHLLOKOSA-N 1 3 339.509 0.725 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000373436741 438150572 /nfs/dbraw/zinc/15/05/72/438150572.db2.gz WRNKGQXKVBYBNK-CKEIUWERSA-N 1 3 327.469 0.603 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000373436741 438150576 /nfs/dbraw/zinc/15/05/76/438150576.db2.gz WRNKGQXKVBYBNK-CKEIUWERSA-N 1 3 327.469 0.603 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000418532109 438156790 /nfs/dbraw/zinc/15/67/90/438156790.db2.gz BVQDTVPJABTLRI-WBVHZDCISA-N 1 3 326.485 0.768 20 0 ECADHO O=C(NCC1=CC[NH2+]CC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418543477 438159240 /nfs/dbraw/zinc/15/92/40/438159240.db2.gz SQKAJJWTNYLCMR-IBGZPJMESA-N 1 3 344.459 0.842 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358128415 438160700 /nfs/dbraw/zinc/16/07/00/438160700.db2.gz KIDGSYNMVYAQGA-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358128415 438160706 /nfs/dbraw/zinc/16/07/06/438160706.db2.gz KIDGSYNMVYAQGA-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@H]1CCCN1CCCO ZINC000418575724 438162582 /nfs/dbraw/zinc/16/25/82/438162582.db2.gz HBDHYISHWQXHID-QGZVFWFLSA-N 1 3 332.448 0.936 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418848744 438214749 /nfs/dbraw/zinc/21/47/49/438214749.db2.gz CDRKCDSTPTZEGH-GDBMZVCRSA-N 1 3 334.464 0.390 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)Cc1ccccc1 ZINC000418848516 438215134 /nfs/dbraw/zinc/21/51/34/438215134.db2.gz LMYXPEVLHJHSEO-IAGOWNOFSA-N 1 3 346.475 0.534 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000418849334 438217265 /nfs/dbraw/zinc/21/72/65/438217265.db2.gz MOYHOWKUOVKTNK-IAGOWNOFSA-N 1 3 346.475 0.343 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000418865416 438224233 /nfs/dbraw/zinc/22/42/33/438224233.db2.gz RVGOPVWEMBTNQL-WBVHZDCISA-N 1 3 346.475 0.993 20 0 ECADHO CN(C)[C@]1(CNC(=O)CCCN2CCC([NH3+])CC2)CCSC1 ZINC000433179512 438229985 /nfs/dbraw/zinc/22/99/85/438229985.db2.gz TWUDANIEZNBJJA-INIZCTEOSA-N 1 3 328.526 0.743 20 0 ECADHO CS(=O)(=O)C1(C(=O)N[C@H](CN)C2CCCCC2)CC[NH2+]CC1 ZINC000367649350 438232080 /nfs/dbraw/zinc/23/20/80/438232080.db2.gz SBJQVPCGYBEUBH-CYBMUJFWSA-N 1 3 331.482 0.177 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418879162 438232642 /nfs/dbraw/zinc/23/26/42/438232642.db2.gz SGPYPAXXRSOQCY-SJORKVTESA-N 1 3 346.475 0.391 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418883108 438234826 /nfs/dbraw/zinc/23/48/26/438234826.db2.gz UPLKXVCQYMBAPP-GJZGRUSLSA-N 1 3 342.484 0.237 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000358517507 438245007 /nfs/dbraw/zinc/24/50/07/438245007.db2.gz CFDPXVQHTPDREJ-YJBOKZPZSA-N 1 3 334.464 0.873 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418825525 438202943 /nfs/dbraw/zinc/20/29/43/438202943.db2.gz BTWXOJKHOUKPCU-INIZCTEOSA-N 1 3 332.448 0.792 20 0 ECADHO CC(C)(CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000418836460 438206648 /nfs/dbraw/zinc/20/66/48/438206648.db2.gz PYSBBXAFDCIKOP-HNNXBMFYSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418842324 438211119 /nfs/dbraw/zinc/21/11/19/438211119.db2.gz BJSKQIZJEADBIS-IAGOWNOFSA-N 1 3 348.491 0.765 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N(C)Cc1ccccc1 ZINC000418937442 438256217 /nfs/dbraw/zinc/25/62/17/438256217.db2.gz CNDVXXVZTBEFJS-VYDXJSESSA-N 1 3 346.475 0.880 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418934768 438256483 /nfs/dbraw/zinc/25/64/83/438256483.db2.gz AHXMGVVOQOTLOE-HNAYVOBHSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418967936 438267569 /nfs/dbraw/zinc/26/75/69/438267569.db2.gz SUCMBXNQQWQIFE-GOEBONIOSA-N 1 3 332.448 0.430 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419027321 438296282 /nfs/dbraw/zinc/29/62/82/438296282.db2.gz OPCUAGRHYLJWNQ-FSZRXZPDSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000418993596 438277255 /nfs/dbraw/zinc/27/72/55/438277255.db2.gz HEUUXPJTVYHTBN-NVXWUHKLSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418995769 438277446 /nfs/dbraw/zinc/27/74/46/438277446.db2.gz MQTFTTBBXISLBV-CJNGLKHVSA-N 1 3 332.448 0.560 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419017527 438288397 /nfs/dbraw/zinc/28/83/97/438288397.db2.gz AZNFFVRKVGIHIP-QLFBSQMISA-N 1 3 338.496 0.999 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419018522 438289126 /nfs/dbraw/zinc/28/91/26/438289126.db2.gz CFNWFQFYFKFMET-GUTXKFCHSA-N 1 3 338.496 0.713 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419018522 438289130 /nfs/dbraw/zinc/28/91/30/438289130.db2.gz CFNWFQFYFKFMET-GUTXKFCHSA-N 1 3 338.496 0.713 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419017544 438289277 /nfs/dbraw/zinc/28/92/77/438289277.db2.gz BBKPQIWUBBVWOO-XFIYOXNOSA-N 1 3 338.496 0.713 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419022314 438291345 /nfs/dbraw/zinc/29/13/45/438291345.db2.gz IDKDIQGOPPKLBE-ZNMIVQPWSA-N 1 3 326.485 0.537 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419021255 438291866 /nfs/dbraw/zinc/29/18/66/438291866.db2.gz GPRDCOFPDQNLEW-QXSJWSMHSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419028924 438295013 /nfs/dbraw/zinc/29/50/13/438295013.db2.gz RAXCXSREMKNANN-ZVDSWSACSA-N 1 3 338.496 0.855 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000418931689 438253741 /nfs/dbraw/zinc/25/37/41/438253741.db2.gz HAXKVFLHKLHSHX-KRWDZBQOSA-N 1 3 346.475 0.911 20 0 ECADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368527921 438343309 /nfs/dbraw/zinc/34/33/09/438343309.db2.gz WMDQTJBMOISQEY-ULQDDVLXSA-N 1 3 339.480 0.759 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419073800 438311668 /nfs/dbraw/zinc/31/16/68/438311668.db2.gz CSFVQQALOTUWNP-OWCLPIDISA-N 1 3 338.496 0.871 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419080903 438313335 /nfs/dbraw/zinc/31/33/35/438313335.db2.gz QODNSQACMIYMLH-GJZGRUSLSA-N 1 3 326.485 0.857 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419083601 438314839 /nfs/dbraw/zinc/31/48/39/438314839.db2.gz WWQCFZMRVQKQPQ-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351684176 438317835 /nfs/dbraw/zinc/31/78/35/438317835.db2.gz PYYFZWACKUACPL-CABCVRRESA-N 1 3 326.485 0.774 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420162465 438390412 /nfs/dbraw/zinc/39/04/12/438390412.db2.gz IONKOEPXTBAVOB-MRXNPFEDSA-N 1 3 334.464 0.499 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000359252228 438393775 /nfs/dbraw/zinc/39/37/75/438393775.db2.gz OLOMYILYXBAYOU-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000359252228 438393776 /nfs/dbraw/zinc/39/37/76/438393776.db2.gz OLOMYILYXBAYOU-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000419377590 438355707 /nfs/dbraw/zinc/35/57/07/438355707.db2.gz UXFWESGKMCHEKL-JKSUJKDBSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1CN ZINC000419384315 438356021 /nfs/dbraw/zinc/35/60/21/438356021.db2.gz KDRPQRFSGNCKSN-IXIBIKRGSA-N 1 3 336.480 0.704 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1CN ZINC000419384315 438356024 /nfs/dbraw/zinc/35/60/24/438356024.db2.gz KDRPQRFSGNCKSN-IXIBIKRGSA-N 1 3 336.480 0.704 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1=O ZINC000378181813 438358763 /nfs/dbraw/zinc/35/87/63/438358763.db2.gz HHRHKNCSSCWBBO-XHSDSOJGSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1=O ZINC000378181813 438358766 /nfs/dbraw/zinc/35/87/66/438358766.db2.gz HHRHKNCSSCWBBO-XHSDSOJGSA-N 1 3 336.480 0.339 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)o1 ZINC000419893564 438374950 /nfs/dbraw/zinc/37/49/50/438374950.db2.gz MKVBDZYJLCZHBE-CQSZACIVSA-N 1 3 336.436 0.346 20 0 ECADHO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328173 438399924 /nfs/dbraw/zinc/39/99/24/438399924.db2.gz DXTHLLXOOHTCHG-GARJFASQSA-N 1 3 336.358 0.694 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422112820 438520669 /nfs/dbraw/zinc/52/06/69/438520669.db2.gz GZZZRKVTROOHBA-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422112820 438520674 /nfs/dbraw/zinc/52/06/74/438520674.db2.gz GZZZRKVTROOHBA-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422176243 438531758 /nfs/dbraw/zinc/53/17/58/438531758.db2.gz BGPOTYCQVKFZOC-NFOMZHRRSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000422419376 438564619 /nfs/dbraw/zinc/56/46/19/438564619.db2.gz XZODXXLMNKKMDD-FMKPAKJESA-N 1 3 336.480 0.669 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000422419376 438564621 /nfs/dbraw/zinc/56/46/21/438564621.db2.gz XZODXXLMNKKMDD-FMKPAKJESA-N 1 3 336.480 0.669 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000422433013 438569363 /nfs/dbraw/zinc/56/93/63/438569363.db2.gz YBBUBPWKDYNCPC-VNQPRFMTSA-N 1 3 336.480 0.526 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000422433013 438569366 /nfs/dbraw/zinc/56/93/66/438569366.db2.gz YBBUBPWKDYNCPC-VNQPRFMTSA-N 1 3 336.480 0.526 20 0 ECADHO CC[NH+]1CCN(CCCCNC(=O)[C@H](C)N2CCSCC2)CC1 ZINC000442655007 438616207 /nfs/dbraw/zinc/61/62/07/438616207.db2.gz VCYYSZQTWAIGLL-INIZCTEOSA-N 1 3 342.553 0.958 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422989074 438625478 /nfs/dbraw/zinc/62/54/78/438625478.db2.gz LNPMMVSVSVTARC-XHSDSOJGSA-N 1 3 348.495 0.997 20 0 ECADHO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443064623 438639329 /nfs/dbraw/zinc/63/93/29/438639329.db2.gz YKXUJKGKWFYGKZ-HNNXBMFYSA-N 1 3 348.447 0.228 20 0 ECADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423164783 438644693 /nfs/dbraw/zinc/64/46/93/438644693.db2.gz AGFXIKYSZHERDG-MAUKXSAKSA-N 1 3 336.480 0.661 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000410731436 438645911 /nfs/dbraw/zinc/64/59/11/438645911.db2.gz GRBUXINILFGBEG-OWCLPIDISA-N 1 3 338.496 0.870 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000423364315 438666055 /nfs/dbraw/zinc/66/60/55/438666055.db2.gz VJBVSIAHLHNUDY-WMLDXEAASA-N 1 3 346.475 0.982 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000423366960 438666215 /nfs/dbraw/zinc/66/62/15/438666215.db2.gz LZNLQLTYILVRRS-HIFRSBDPSA-N 1 3 336.436 0.366 20 0 ECADHO COC[C@]1(C(=O)NCc2ccccc2OCCN(C)C)CC[NH2+]C1 ZINC000423369620 438666265 /nfs/dbraw/zinc/66/62/65/438666265.db2.gz STIIVEIPHLAKCI-SFHVURJKSA-N 1 3 335.448 0.869 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000423360711 438666366 /nfs/dbraw/zinc/66/63/66/438666366.db2.gz GEQMEWPQHPXDEH-CQSZACIVSA-N 1 3 336.436 0.380 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423366978 438667158 /nfs/dbraw/zinc/66/71/58/438667158.db2.gz MCEBRMDVFYSFAV-ZDUSSCGKSA-N 1 3 338.477 0.446 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C[C@H]1[NH3+] ZINC000423378212 438668845 /nfs/dbraw/zinc/66/88/45/438668845.db2.gz WFDAYFBPMYUVCY-TZMCWYRMSA-N 1 3 338.477 0.444 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423582498 438691532 /nfs/dbraw/zinc/69/15/32/438691532.db2.gz XQICVHHTSVDYFV-AWEZNQCLSA-N 1 3 326.485 0.761 20 0 ECADHO CC[C@H](C(=O)NC1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1)N(C)C ZINC000413787448 438695861 /nfs/dbraw/zinc/69/58/61/438695861.db2.gz GHFUPMMXECEZJN-UONOGXRCSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@H](C(=O)NC1(CNC(=O)[C@H](CC)N(C)C)CCC1)[NH+](C)C ZINC000413787448 438695864 /nfs/dbraw/zinc/69/58/64/438695864.db2.gz GHFUPMMXECEZJN-UONOGXRCSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414703682 438716040 /nfs/dbraw/zinc/71/60/40/438716040.db2.gz LSYNBKYNVNVDBI-CQSZACIVSA-N 1 3 348.447 0.953 20 0 ECADHO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000574906172 438727650 /nfs/dbraw/zinc/72/76/50/438727650.db2.gz BRDGGPPYNZZKNB-DLBZAZTESA-N 1 3 332.448 0.939 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(=O)CN)C2)C(=O)N1c1ccccc1 ZINC000415099679 438730224 /nfs/dbraw/zinc/73/02/24/438730224.db2.gz GZFBVIFQYVYBMO-INMHGKMJSA-N 1 3 344.459 0.967 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)CNCC3)CCC1 ZINC000415091419 438730519 /nfs/dbraw/zinc/73/05/19/438730519.db2.gz ZDYVWHVNHKYVIB-UHFFFAOYSA-N 1 3 330.432 0.871 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000575780100 438755610 /nfs/dbraw/zinc/75/56/10/438755610.db2.gz VVMODDSKZSACGT-DOTOQJQBSA-N 1 3 332.448 0.893 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000575780100 438755613 /nfs/dbraw/zinc/75/56/13/438755613.db2.gz VVMODDSKZSACGT-DOTOQJQBSA-N 1 3 332.448 0.893 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000576925122 438804754 /nfs/dbraw/zinc/80/47/54/438804754.db2.gz OKOUVPVRGHXAPX-UHFFFAOYSA-N 1 3 330.432 0.823 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)C1 ZINC000558281593 438806953 /nfs/dbraw/zinc/80/69/53/438806953.db2.gz UKJXXDMRAGXLEC-PMPSAXMXSA-N 1 3 340.512 0.879 20 0 ECADHO CN1CCN(CCNC(=O)c2ccn(CC[NH+](C)C)n2)CC1(C)C ZINC000576001843 438764686 /nfs/dbraw/zinc/76/46/86/438764686.db2.gz KBYIJSOYDVCDSV-UHFFFAOYSA-N 1 3 336.484 0.201 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)c1 ZINC000576219816 438773179 /nfs/dbraw/zinc/77/31/79/438773179.db2.gz RLNNUXSALKAGRD-UHFFFAOYSA-N 1 3 349.479 0.344 20 0 ECADHO N[C@H]1C[C@@H]2CN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)CCN2C1=O ZINC000576481559 438785607 /nfs/dbraw/zinc/78/56/07/438785607.db2.gz ZZZRUSCXOLQLEN-OAGGEKHMSA-N 1 3 336.480 0.835 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000556974188 438793966 /nfs/dbraw/zinc/79/39/66/438793966.db2.gz KJLNMERNCOSEKA-JKSUJKDBSA-N 1 3 342.447 1.403 20 0 ECADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000577220606 438827001 /nfs/dbraw/zinc/82/70/01/438827001.db2.gz KQQHBHNXVRTAJQ-FMKPAKJESA-N 1 3 327.494 0.826 20 0 ECADHO C[C@H](CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[C@H]1CCC[NH2+]C1 ZINC000577395740 438838708 /nfs/dbraw/zinc/83/87/08/438838708.db2.gz SBMWSWPMHJGWGL-IJEWVQPXSA-N 1 3 334.468 0.926 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H]2CCCN2C)CC1 ZINC000577509938 438847731 /nfs/dbraw/zinc/84/77/31/438847731.db2.gz UOBHOJOHLNYVJE-OAHLLOKOSA-N 1 3 339.484 0.370 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)C2)C1 ZINC000515165084 438853174 /nfs/dbraw/zinc/85/31/74/438853174.db2.gz UNWBGAUPHPYOTR-MKSNKDDYSA-N 1 3 348.491 0.517 20 0 ECADHO C[C@H]1CC2(CN1C(=O)C(=O)NC1CCN(C3CC3)CC1)CC[NH2+]CC2 ZINC000516275529 438899703 /nfs/dbraw/zinc/89/97/03/438899703.db2.gz QRWMWMMKZYIGRA-AWEZNQCLSA-N 1 3 348.491 0.720 20 0 ECADHO COC1CC[NH+](C2(CNCCC(=O)NC(N)=O)CCCC2)CC1 ZINC000516276531 438900174 /nfs/dbraw/zinc/90/01/74/438900174.db2.gz CYKBNVXQMUWADY-UHFFFAOYSA-N 1 3 326.441 0.585 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)N1CCN(C)CC1 ZINC000577830971 438874806 /nfs/dbraw/zinc/87/48/06/438874806.db2.gz LLDKQFUXYUZCOP-ZIAGYGMSSA-N 1 3 347.454 0.555 20 0 ECADHO COC[C@@H](C)NC(=O)NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900753 438881431 /nfs/dbraw/zinc/88/14/31/438881431.db2.gz KKJOWRIFVYYYSU-UKRRQHHQSA-N 1 3 340.468 0.559 20 0 ECADHO C[NH2+]C[C@@](C)(O)CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000565092552 438914815 /nfs/dbraw/zinc/91/48/15/438914815.db2.gz AKRZCHQOFXDCOY-LJQANCHMSA-N 1 3 334.508 0.706 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000565256045 438938713 /nfs/dbraw/zinc/93/87/13/438938713.db2.gz YQOBSEBPGCOIMF-RDJZCZTQSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000517246624 438957626 /nfs/dbraw/zinc/95/76/26/438957626.db2.gz CCLBCVYXURAUMG-HRCADAONSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000517246623 438959107 /nfs/dbraw/zinc/95/91/07/438959107.db2.gz CCLBCVYXURAUMG-ARFHVFGLSA-N 1 3 338.496 0.951 20 0 ECADHO COCCN(C)CCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000517563488 438968549 /nfs/dbraw/zinc/96/85/49/438968549.db2.gz HDGHZNMREOCCCC-KRWDZBQOSA-N 1 3 334.464 0.988 20 0 ECADHO COCCN(C)CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000517563488 438968553 /nfs/dbraw/zinc/96/85/53/438968553.db2.gz HDGHZNMREOCCCC-KRWDZBQOSA-N 1 3 334.464 0.988 20 0 ECADHO CCOC(=O)C1CCC(O)(CNC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000579354250 439002479 /nfs/dbraw/zinc/00/24/79/439002479.db2.gz VJBJRCAXKNLUCX-PQUAAJSLSA-N 1 3 342.480 0.907 20 0 ECADHO C[NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000519618750 439047681 /nfs/dbraw/zinc/04/76/81/439047681.db2.gz UDHZZOXXXIWNDH-AWEZNQCLSA-N 1 3 332.448 0.736 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000579465443 439012274 /nfs/dbraw/zinc/01/22/74/439012274.db2.gz ZEFPEGOFZQNUSI-ROUUACIJSA-N 1 3 326.529 0.552 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000579465443 439012283 /nfs/dbraw/zinc/01/22/83/439012283.db2.gz ZEFPEGOFZQNUSI-ROUUACIJSA-N 1 3 326.529 0.552 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(C)CC1 ZINC000518942701 439013316 /nfs/dbraw/zinc/01/33/16/439013316.db2.gz FXACWAVTKDLBCD-XHSDSOJGSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000579572446 439020210 /nfs/dbraw/zinc/02/02/10/439020210.db2.gz NHOLKMKTZCEFKZ-HNNXBMFYSA-N 1 3 339.484 0.323 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CCCCC4)CC3)C[C@@H]21 ZINC000459892137 439026132 /nfs/dbraw/zinc/02/61/32/439026132.db2.gz CQCCKMWDHYJXFB-WBVHZDCISA-N 1 3 348.491 0.626 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000459904326 439029442 /nfs/dbraw/zinc/02/94/42/439029442.db2.gz ZXPQSBRZOQDCEY-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000459904326 439029444 /nfs/dbraw/zinc/02/94/44/439029444.db2.gz ZXPQSBRZOQDCEY-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CCC[C@@H](CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)C1 ZINC000602469119 439092139 /nfs/dbraw/zinc/09/21/39/439092139.db2.gz AABZEIHZIAHMCD-RCDICMHDSA-N 1 3 329.510 0.724 20 0 ECADHO CN1CC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H]1c1ccccc1 ZINC000567148628 439118323 /nfs/dbraw/zinc/11/83/23/439118323.db2.gz AWFAUYSVWGTWQA-ZACQAIPSSA-N 1 3 331.464 0.635 20 0 ECADHO C[NH+](C)CCc1ccccc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566504563 439066394 /nfs/dbraw/zinc/06/63/94/439066394.db2.gz KOMLAJMXJLWORI-GJZGRUSLSA-N 1 3 345.447 0.566 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCC(C)CC1 ZINC000520377584 439082411 /nfs/dbraw/zinc/08/24/11/439082411.db2.gz XRLHWESNZCXRLY-MAUKXSAKSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1[C@H](NC(=O)NCCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000567362014 439135855 /nfs/dbraw/zinc/13/58/55/439135855.db2.gz HPGQNHOFBMKFNF-FUHWJXTLSA-N 1 3 345.491 0.854 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567501181 439148306 /nfs/dbraw/zinc/14/83/06/439148306.db2.gz GHPBOZUZSLHKPB-GHMZBOCLSA-N 1 3 331.486 0.466 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000567569340 439152738 /nfs/dbraw/zinc/15/27/38/439152738.db2.gz FAGWZLBWWGRAPV-AWEZNQCLSA-N 1 3 330.432 0.871 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000581551612 439226013 /nfs/dbraw/zinc/22/60/13/439226013.db2.gz SSYHPOAALTZDPH-QAPCUYQASA-N 1 3 330.432 0.346 20 0 ECADHO CC(C)NC(=O)NCCN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000567781735 439176305 /nfs/dbraw/zinc/17/63/05/439176305.db2.gz OGUTVIOWZKEYFT-UHFFFAOYSA-N 1 3 327.473 0.084 20 0 ECADHO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(OCCN(C)C)cc1 ZINC000592434069 439227285 /nfs/dbraw/zinc/22/72/85/439227285.db2.gz DCCDCQSXWDBYAZ-QGZVFWFLSA-N 1 3 335.448 0.964 20 0 ECADHO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000581304553 439195290 /nfs/dbraw/zinc/19/52/90/439195290.db2.gz LLHVTMJDOWNKDI-OWCLPIDISA-N 1 3 334.464 0.284 20 0 ECADHO COC(=O)c1cnc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000597943305 439202794 /nfs/dbraw/zinc/20/27/94/439202794.db2.gz XKMIDGITLHXGAI-LBPRGKRZSA-N 1 3 337.424 0.265 20 0 ECADHO COC(=O)c1cnc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000597943305 439202798 /nfs/dbraw/zinc/20/27/98/439202798.db2.gz XKMIDGITLHXGAI-LBPRGKRZSA-N 1 3 337.424 0.265 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](COC)OC)CC2)CC1 ZINC000581557404 439228907 /nfs/dbraw/zinc/22/89/07/439228907.db2.gz KDONQYIMBGNMOC-QGZVFWFLSA-N 1 3 341.496 0.960 20 0 ECADHO CN(CCCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000581598102 439233444 /nfs/dbraw/zinc/23/34/44/439233444.db2.gz NFEFOIHLQHQJNP-KRWDZBQOSA-N 1 3 346.475 0.822 20 0 ECADHO COCCN1CCC(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592958591 439321888 /nfs/dbraw/zinc/32/18/88/439321888.db2.gz ZCRGODVHVNNQLD-ZDUSSCGKSA-N 1 3 335.452 0.560 20 0 ECADHO CN(C)[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])Cc1ccccc1 ZINC000582230515 439306686 /nfs/dbraw/zinc/30/66/86/439306686.db2.gz ATEMJSWWJOWXJQ-DLBZAZTESA-N 1 3 333.480 0.444 20 0 ECADHO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000605243877 439363407 /nfs/dbraw/zinc/36/34/07/439363407.db2.gz KPMPUOKNNPUYOP-UHFFFAOYSA-N 1 3 336.436 0.763 20 0 ECADHO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000605243877 439363411 /nfs/dbraw/zinc/36/34/11/439363411.db2.gz KPMPUOKNNPUYOP-UHFFFAOYSA-N 1 3 336.436 0.763 20 0 ECADHO CC1(C)NC(=O)N(CCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000569605831 439347353 /nfs/dbraw/zinc/34/73/53/439347353.db2.gz WJXWIQXRBMQALI-ZDUSSCGKSA-N 1 3 338.452 0.394 20 0 ECADHO CN(C)C1(CNC(=O)N2CCO[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000582894117 439393347 /nfs/dbraw/zinc/39/33/47/439393347.db2.gz CTQAXDIIZFSVDN-MRXNPFEDSA-N 1 3 332.448 0.455 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)C1 ZINC000606703889 439421180 /nfs/dbraw/zinc/42/11/80/439421180.db2.gz HRMGVYTWHDHXGC-MSOLQXFVSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000606703889 439421185 /nfs/dbraw/zinc/42/11/85/439421185.db2.gz HRMGVYTWHDHXGC-MSOLQXFVSA-N 1 3 349.523 0.892 20 0 ECADHO O=C(NC1CNC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000583253416 439439171 /nfs/dbraw/zinc/43/91/71/439439171.db2.gz RCPLYKJAFVEVPH-ZXFUBFMLSA-N 1 3 342.443 0.386 20 0 ECADHO O=C(NC1CNC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000583253416 439439177 /nfs/dbraw/zinc/43/91/77/439439177.db2.gz RCPLYKJAFVEVPH-ZXFUBFMLSA-N 1 3 342.443 0.386 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000607232890 439445369 /nfs/dbraw/zinc/44/53/69/439445369.db2.gz QTXHAKLFPYMPNX-HOTGVXAUSA-N 1 3 325.501 0.748 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000607232890 439445373 /nfs/dbraw/zinc/44/53/73/439445373.db2.gz QTXHAKLFPYMPNX-HOTGVXAUSA-N 1 3 325.501 0.748 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000583375423 439454969 /nfs/dbraw/zinc/45/49/69/439454969.db2.gz DUUBNXZCVDWSPR-JYJNAYRXSA-N 1 3 336.480 0.515 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000583572066 439482606 /nfs/dbraw/zinc/48/26/06/439482606.db2.gz QDGDFQOVZRAFCI-RLFYNMQTSA-N 1 3 339.480 0.746 20 0 ECADHO C[C@@H]1C[C@H](CN2CCN(c3ncnc4c3cnn4C)CC2)CC[NH2+]1 ZINC000583740391 439504591 /nfs/dbraw/zinc/50/45/91/439504591.db2.gz ZMTAFAOCKAAUPV-ZIAGYGMSSA-N 1 3 329.452 0.873 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000583375424 439456788 /nfs/dbraw/zinc/45/67/88/439456788.db2.gz DUUBNXZCVDWSPR-XHSDSOJGSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000583984840 439534044 /nfs/dbraw/zinc/53/40/44/439534044.db2.gz ZLLAHAZDSFSGIG-YOEHRIQHSA-N 1 3 344.459 0.586 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000583984840 439534048 /nfs/dbraw/zinc/53/40/48/439534048.db2.gz ZLLAHAZDSFSGIG-YOEHRIQHSA-N 1 3 344.459 0.586 20 0 ECADHO COCCN(CCN(C)C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000571566175 439513713 /nfs/dbraw/zinc/51/37/13/439513713.db2.gz SLBLMFAANVIHOF-IBGZPJMESA-N 1 3 349.475 0.660 20 0 ECADHO COCCN(CCN(C)C)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000571566175 439513720 /nfs/dbraw/zinc/51/37/20/439513720.db2.gz SLBLMFAANVIHOF-IBGZPJMESA-N 1 3 349.475 0.660 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000572380045 439578383 /nfs/dbraw/zinc/57/83/83/439578383.db2.gz XOBSYCSHPKHQHN-GJZGRUSLSA-N 1 3 337.468 0.062 20 0 ECADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCN2CCC[C@H]2C1 ZINC000572493149 439587326 /nfs/dbraw/zinc/58/73/26/439587326.db2.gz GZHIJJLFTPBPJE-INIZCTEOSA-N 1 3 328.416 0.577 20 0 ECADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)C1 ZINC000572699774 439603675 /nfs/dbraw/zinc/60/36/75/439603675.db2.gz QZVWZEFEOBQTIG-LPHOPBHVSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)C1 ZINC000572699774 439603679 /nfs/dbraw/zinc/60/36/79/439603679.db2.gz QZVWZEFEOBQTIG-LPHOPBHVSA-N 1 3 348.491 0.627 20 0 ECADHO CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000610250095 439604846 /nfs/dbraw/zinc/60/48/46/439604846.db2.gz ABODWJNIOPDORA-OAHLLOKOSA-N 1 3 332.514 0.026 20 0 ECADHO CNS(=O)(=O)CCC[N@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000610250095 439604850 /nfs/dbraw/zinc/60/48/50/439604850.db2.gz ABODWJNIOPDORA-OAHLLOKOSA-N 1 3 332.514 0.026 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCCCO1 ZINC000584673730 439606254 /nfs/dbraw/zinc/60/62/54/439606254.db2.gz ALBWCAPDROJWMG-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO CCOC[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000573596277 439655326 /nfs/dbraw/zinc/65/53/26/439655326.db2.gz LTPDUDFITDQVBR-SFHVURJKSA-N 1 3 349.475 0.871 20 0 ECADHO CCOC[C@@H](O)CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000573596277 439655328 /nfs/dbraw/zinc/65/53/28/439655328.db2.gz LTPDUDFITDQVBR-SFHVURJKSA-N 1 3 349.475 0.871 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000573696252 439661795 /nfs/dbraw/zinc/66/17/95/439661795.db2.gz KJOGOJDUVCFYRD-DOTOQJQBSA-N 1 3 346.475 0.691 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000573696252 439661798 /nfs/dbraw/zinc/66/17/98/439661798.db2.gz KJOGOJDUVCFYRD-DOTOQJQBSA-N 1 3 346.475 0.691 20 0 ECADHO COC(=O)C1CC[NH+](CCCNC(=O)CN(C)C2CCC2)CC1 ZINC000600816326 439706106 /nfs/dbraw/zinc/70/61/06/439706106.db2.gz OQMRRCAOELVINR-UHFFFAOYSA-N 1 3 325.453 0.862 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CN1C1CC1 ZINC000611640309 439715763 /nfs/dbraw/zinc/71/57/63/439715763.db2.gz FEGXWFRDKGAAOG-MGPQQGTHSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CN1C1CC1 ZINC000611640309 439715766 /nfs/dbraw/zinc/71/57/66/439715766.db2.gz FEGXWFRDKGAAOG-MGPQQGTHSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C[NH+]1CCCC1 ZINC000574062222 439683105 /nfs/dbraw/zinc/68/31/05/439683105.db2.gz AJIUCOLILYFIEO-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595275005 439688598 /nfs/dbraw/zinc/68/85/98/439688598.db2.gz DEXLSXJYMYMLKR-HZPDHXFCSA-N 1 3 349.479 0.062 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000574179842 439689463 /nfs/dbraw/zinc/68/94/63/439689463.db2.gz GBCOSMJSMBQGBZ-HNNXBMFYSA-N 1 3 341.500 0.616 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612974185 439747614 /nfs/dbraw/zinc/74/76/14/439747614.db2.gz OZNORFQABQEDJH-HOTGVXAUSA-N 1 3 337.512 0.701 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000611849996 439732862 /nfs/dbraw/zinc/73/28/62/439732862.db2.gz POUVGFVIYQSADW-ZIAGYGMSSA-N 1 3 326.485 0.822 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000615617201 439803327 /nfs/dbraw/zinc/80/33/27/439803327.db2.gz VDGXAQWZNPKJHR-QAPCUYQASA-N 1 3 336.480 0.341 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000615617201 439803328 /nfs/dbraw/zinc/80/33/28/439803328.db2.gz VDGXAQWZNPKJHR-QAPCUYQASA-N 1 3 336.480 0.341 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652472268 439861041 /nfs/dbraw/zinc/86/10/41/439861041.db2.gz CNNAMWZYGFMSDU-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000652486087 439867423 /nfs/dbraw/zinc/86/74/23/439867423.db2.gz ATLBZYSJWQEHLM-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000662662106 439837257 /nfs/dbraw/zinc/83/72/57/439837257.db2.gz ZJDSYKBEIOLZPK-BJLQDIEVSA-N 1 3 343.471 0.998 20 0 ECADHO O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[C@H](N2CCCC2)C1 ZINC000662709872 439853463 /nfs/dbraw/zinc/85/34/63/439853463.db2.gz UGZVNESHXLMUJQ-CABCVRRESA-N 1 3 332.452 0.903 20 0 ECADHO CC[N@H+](CCCNC(=O)C(=O)N1CCCNCC1)C1CCCCC1 ZINC000652708602 439933091 /nfs/dbraw/zinc/93/30/91/439933091.db2.gz XQLGTFIBRVKFJM-UHFFFAOYSA-N 1 3 338.496 0.969 20 0 ECADHO CC[N@@H+](CCCNC(=O)C(=O)N1CCCNCC1)C1CCCCC1 ZINC000652708602 439933099 /nfs/dbraw/zinc/93/30/99/439933099.db2.gz XQLGTFIBRVKFJM-UHFFFAOYSA-N 1 3 338.496 0.969 20 0 ECADHO Cc1c(N)cccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000626819605 439896358 /nfs/dbraw/zinc/89/63/58/439896358.db2.gz YPKOAFUXXLQOJA-UHFFFAOYSA-N 1 3 335.452 0.468 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(N)=O)s1 ZINC000617504821 439898235 /nfs/dbraw/zinc/89/82/35/439898235.db2.gz LUMNLPDQVHQZGT-NSHDSACASA-N 1 3 326.466 0.849 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(N)=O)s1 ZINC000617504821 439898240 /nfs/dbraw/zinc/89/82/40/439898240.db2.gz LUMNLPDQVHQZGT-NSHDSACASA-N 1 3 326.466 0.849 20 0 ECADHO COCC1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCOCC1 ZINC000617507614 439898275 /nfs/dbraw/zinc/89/82/75/439898275.db2.gz CFCWKRAKCPGENX-HNNXBMFYSA-N 1 3 329.485 0.818 20 0 ECADHO COCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCOCC1 ZINC000617507614 439898277 /nfs/dbraw/zinc/89/82/77/439898277.db2.gz CFCWKRAKCPGENX-HNNXBMFYSA-N 1 3 329.485 0.818 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000626856695 439918398 /nfs/dbraw/zinc/91/83/98/439918398.db2.gz PSXBVDIBBJODCH-CVEARBPZSA-N 1 3 346.431 0.496 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N(C)Cc1ccccc1 ZINC000642262642 439965300 /nfs/dbraw/zinc/96/53/00/439965300.db2.gz VZGROLSZHBCLJO-AWEZNQCLSA-N 1 3 332.448 0.491 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662954388 439968278 /nfs/dbraw/zinc/96/82/78/439968278.db2.gz SFAMLAJUOBESRE-NVXWUHKLSA-N 1 3 346.475 0.567 20 0 ECADHO CN(CCCNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000642302663 439970092 /nfs/dbraw/zinc/97/00/92/439970092.db2.gz OSZWDKITPKOTOK-KRWDZBQOSA-N 1 3 346.475 0.883 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642329765 439971431 /nfs/dbraw/zinc/97/14/31/439971431.db2.gz IUKXXFRORBCQQT-FPCVCCKLSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000636567338 439935980 /nfs/dbraw/zinc/93/59/80/439935980.db2.gz CMMMWPJBICECQX-OIISXLGYSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000636567338 439935987 /nfs/dbraw/zinc/93/59/87/439935987.db2.gz CMMMWPJBICECQX-OIISXLGYSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(OCCN(C)C)c2)C[NH2+]1 ZINC000626886915 439938463 /nfs/dbraw/zinc/93/84/63/439938463.db2.gz PYFWZUYXIVGEPC-HIFRSBDPSA-N 1 3 348.447 0.822 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000652719111 439942239 /nfs/dbraw/zinc/94/22/39/439942239.db2.gz UWKAOGYPWIJXOF-MRXNPFEDSA-N 1 3 332.448 0.575 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(C)CCOCC[NH3+])ccc1CN(C)C ZINC000626897312 439948998 /nfs/dbraw/zinc/94/89/98/439948998.db2.gz WFOZOKQSQCGVJR-UHFFFAOYSA-N 1 3 336.436 0.429 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000652728175 439949938 /nfs/dbraw/zinc/94/99/38/439949938.db2.gz WXBDHOUETBBPGP-INIZCTEOSA-N 1 3 336.480 0.661 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014615 439989382 /nfs/dbraw/zinc/98/93/82/439989382.db2.gz MKVNZLLSNKIUEA-CQSZACIVSA-N 1 3 334.468 0.525 20 0 ECADHO O=C(CNC1CC1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663018519 439993328 /nfs/dbraw/zinc/99/33/28/439993328.db2.gz PUZGOPSFAVMFLV-ZDUSSCGKSA-N 1 3 332.452 0.277 20 0 ECADHO C[C@@H](C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)[C@H](C)[NH3+] ZINC000663017812 439993343 /nfs/dbraw/zinc/99/33/43/439993343.db2.gz LXXCTWLEZWIGQA-RDBSUJKOSA-N 1 3 334.468 0.509 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000658568902 440009879 /nfs/dbraw/zinc/00/98/79/440009879.db2.gz SYZZNGXFBHWXHR-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000658568902 440009889 /nfs/dbraw/zinc/00/98/89/440009889.db2.gz SYZZNGXFBHWXHR-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO NCC(=O)N1CCC[C@@H](CN(Cc2cccnc2)C[C@H]2CC[NH2+]C2)C1 ZINC000647520568 440061689 /nfs/dbraw/zinc/06/16/89/440061689.db2.gz PQHDVRKCMULMBD-ROUUACIJSA-N 1 3 345.491 0.690 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653108896 440065361 /nfs/dbraw/zinc/06/53/61/440065361.db2.gz LYPQVHISLXGREK-YJBOKZPZSA-N 1 3 333.432 0.479 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000627244477 440065359 /nfs/dbraw/zinc/06/53/59/440065359.db2.gz ADZDPRAIGJELEN-RRQGHBQHSA-N 1 3 332.448 0.803 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CCC[NH2+]C1 ZINC000642973372 440072643 /nfs/dbraw/zinc/07/26/43/440072643.db2.gz JQDAJWBQAPDXAI-GOSISDBHSA-N 1 3 345.447 0.236 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000636875397 440076817 /nfs/dbraw/zinc/07/68/17/440076817.db2.gz ZBFFZLKUJZGNGK-OAHLLOKOSA-N 1 3 337.468 0.078 20 0 ECADHO CN1CCN(Cc2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653125118 440079575 /nfs/dbraw/zinc/07/95/75/440079575.db2.gz SXBWXZHFPMFUJI-KRWDZBQOSA-N 1 3 333.480 0.652 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)C[NH2+]1 ZINC000627205062 440043886 /nfs/dbraw/zinc/04/38/86/440043886.db2.gz LNCKCPQDYJNMLX-GJZGRUSLSA-N 1 3 325.501 0.842 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[C@@H]1[NH3+] ZINC000642809747 440046790 /nfs/dbraw/zinc/04/67/90/440046790.db2.gz FTDNPCMVKRXELL-ILXRZTDVSA-N 1 3 338.496 0.809 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(CC(N)=O)cc1 ZINC000643171785 440098085 /nfs/dbraw/zinc/09/80/85/440098085.db2.gz GPHAHZUMCUTYKD-UHFFFAOYSA-N 1 3 349.479 0.349 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N1CCN(C)CC1 ZINC000663562338 440102482 /nfs/dbraw/zinc/10/24/82/440102482.db2.gz ZFVUYUUWORXKAO-JKSUJKDBSA-N 1 3 327.517 0.898 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643470237 440175057 /nfs/dbraw/zinc/17/50/57/440175057.db2.gz XDQIVRGPYOKYBC-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478945 440179183 /nfs/dbraw/zinc/17/91/83/440179183.db2.gz UATSKTRLDLSTJO-OAHLLOKOSA-N 1 3 345.447 0.188 20 0 ECADHO C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000647905702 440188898 /nfs/dbraw/zinc/18/88/98/440188898.db2.gz ZUOHJJBYTRWNHX-ZACQAIPSSA-N 1 3 338.496 0.287 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC[C@@H]1[NH3+] ZINC000643510655 440191900 /nfs/dbraw/zinc/19/19/00/440191900.db2.gz LEZVCOYNSAVNLE-OAGGEKHMSA-N 1 3 336.480 0.659 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000663911753 440194488 /nfs/dbraw/zinc/19/44/88/440194488.db2.gz GOQITDSCMAADOY-UHFFFAOYSA-N 1 3 341.500 0.380 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000643516679 440194922 /nfs/dbraw/zinc/19/49/22/440194922.db2.gz JELJCXMFVNVDJZ-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000663680384 440150101 /nfs/dbraw/zinc/15/01/01/440150101.db2.gz GKOJDGDRZDSRLI-HUUCEWRRSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000663680384 440150106 /nfs/dbraw/zinc/15/01/06/440150106.db2.gz GKOJDGDRZDSRLI-HUUCEWRRSA-N 1 3 339.484 0.275 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643558260 440212449 /nfs/dbraw/zinc/21/24/49/440212449.db2.gz BHXSAKURDCNYBP-MAUKXSAKSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)C[C@@H]21 ZINC000643591429 440215614 /nfs/dbraw/zinc/21/56/14/440215614.db2.gz JRGKKOGFZSXPDB-TWMKSMIVSA-N 1 3 342.443 0.102 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000627461132 440218572 /nfs/dbraw/zinc/21/85/72/440218572.db2.gz FPCMPBSWKJFFEC-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H](O)C(F)(F)F ZINC000637265891 440219979 /nfs/dbraw/zinc/21/99/79/440219979.db2.gz SSCJGFYZVKLCGV-QJPTWQEYSA-N 1 3 342.406 0.869 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H](O)C(F)(F)F ZINC000637265891 440219986 /nfs/dbraw/zinc/21/99/86/440219986.db2.gz SSCJGFYZVKLCGV-QJPTWQEYSA-N 1 3 342.406 0.869 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627477922 440230712 /nfs/dbraw/zinc/23/07/12/440230712.db2.gz DTCMOOIXYYYZPZ-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[NH2+]1 ZINC000627481887 440234158 /nfs/dbraw/zinc/23/41/58/440234158.db2.gz JIMJPKRJOMOWBU-KGLIPLIRSA-N 1 3 336.436 0.427 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000643531899 440202352 /nfs/dbraw/zinc/20/23/52/440202352.db2.gz USBHTXJYPDHQEC-DLBZAZTESA-N 1 3 344.459 0.527 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643531722 440202495 /nfs/dbraw/zinc/20/24/95/440202495.db2.gz AVTHWJASXBHJFK-KRWDZBQOSA-N 1 3 346.475 0.787 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000659103715 440250674 /nfs/dbraw/zinc/25/06/74/440250674.db2.gz VFNCJIRJNOKHTE-OAHLLOKOSA-N 1 3 346.431 0.708 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000659103715 440250675 /nfs/dbraw/zinc/25/06/75/440250675.db2.gz VFNCJIRJNOKHTE-OAHLLOKOSA-N 1 3 346.431 0.708 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000659102550 440251052 /nfs/dbraw/zinc/25/10/52/440251052.db2.gz DSSZQNFJSZXRFL-MRXNPFEDSA-N 1 3 330.432 0.871 20 0 ECADHO C[C@H]1CC[C@@H](CNS(=O)(=O)CCCN2CCN(C)CC2)[N@@H+]1C ZINC000632566278 440288828 /nfs/dbraw/zinc/28/88/28/440288828.db2.gz ZBQDFIXIAXQWHR-GJZGRUSLSA-N 1 3 332.514 0.026 20 0 ECADHO C[C@H]1CC[C@@H](CNS(=O)(=O)CCCN2CCN(C)CC2)[N@H+]1C ZINC000632566278 440288831 /nfs/dbraw/zinc/28/88/31/440288831.db2.gz ZBQDFIXIAXQWHR-GJZGRUSLSA-N 1 3 332.514 0.026 20 0 ECADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cn(CC[NH3+])nn1 ZINC000659308459 440296756 /nfs/dbraw/zinc/29/67/56/440296756.db2.gz TVDCKNRSYCWKMR-UHFFFAOYSA-N 1 3 334.399 0.580 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654377765 440304201 /nfs/dbraw/zinc/30/42/01/440304201.db2.gz WVBZQNNEXURERA-IXDOHACOSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654377765 440304208 /nfs/dbraw/zinc/30/42/08/440304208.db2.gz WVBZQNNEXURERA-IXDOHACOSA-N 1 3 338.496 0.959 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664407584 440306122 /nfs/dbraw/zinc/30/61/22/440306122.db2.gz HKMTYIGHMVDVDU-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000659611164 440373081 /nfs/dbraw/zinc/37/30/81/440373081.db2.gz PZVZUXKUAQOJAA-ZFWWWQNUSA-N 1 3 335.456 0.568 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCn3cncn3)CC2)CC1 ZINC000654522924 440339768 /nfs/dbraw/zinc/33/97/68/440339768.db2.gz JKBWUCWUEJOUTC-UHFFFAOYSA-N 1 3 348.495 0.981 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cc(C(N)=O)co1 ZINC000664716094 440360968 /nfs/dbraw/zinc/36/09/68/440360968.db2.gz XZMXXJIMUPGGOQ-LBPRGKRZSA-N 1 3 339.440 0.450 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cc(C(N)=O)co1 ZINC000664716094 440360978 /nfs/dbraw/zinc/36/09/78/440360978.db2.gz XZMXXJIMUPGGOQ-LBPRGKRZSA-N 1 3 339.440 0.450 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000659558111 440363488 /nfs/dbraw/zinc/36/34/88/440363488.db2.gz XNGKLBYJIRPLSZ-RRFJBIMHSA-N 1 3 339.484 0.036 20 0 ECADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCOC2(CNC2)C1 ZINC000659577836 440366071 /nfs/dbraw/zinc/36/60/71/440366071.db2.gz XLVHJIFQEPIJOU-HZPDHXFCSA-N 1 3 330.432 0.516 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000659442172 440328360 /nfs/dbraw/zinc/32/83/60/440328360.db2.gz ZQPBKXUTZLMFFY-HNNXBMFYSA-N 1 3 339.484 0.370 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000659611164 440373074 /nfs/dbraw/zinc/37/30/74/440373074.db2.gz PZVZUXKUAQOJAA-ZFWWWQNUSA-N 1 3 335.456 0.568 20 0 ECADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000632665411 440336235 /nfs/dbraw/zinc/33/62/35/440336235.db2.gz PEIAXKHIYVUPOC-CQSZACIVSA-N 1 3 337.468 0.362 20 0 ECADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000632665411 440336241 /nfs/dbraw/zinc/33/62/41/440336241.db2.gz PEIAXKHIYVUPOC-CQSZACIVSA-N 1 3 337.468 0.362 20 0 ECADHO C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)ccn1 ZINC000659475192 440336233 /nfs/dbraw/zinc/33/62/33/440336233.db2.gz KBKWKYIVFLEIGL-ZIAGYGMSSA-N 1 3 339.415 0.603 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000665167300 440428976 /nfs/dbraw/zinc/42/89/76/440428976.db2.gz UEOZUIWVAQBSTK-UONOGXRCSA-N 1 3 349.470 0.897 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000665167300 440428978 /nfs/dbraw/zinc/42/89/78/440428978.db2.gz UEOZUIWVAQBSTK-UONOGXRCSA-N 1 3 349.470 0.897 20 0 ECADHO CC[NH+](CC)CCOc1ccc(CNC(=O)CN2CCNCC2)cc1 ZINC000638064354 440422865 /nfs/dbraw/zinc/42/28/65/440422865.db2.gz KUAPNHCWPRMVIM-UHFFFAOYSA-N 1 3 348.491 0.929 20 0 ECADHO CN1CCC[C@H]1CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638075171 440425087 /nfs/dbraw/zinc/42/50/87/440425087.db2.gz CNCMMDOZKJMQTD-VHSXEESVSA-N 1 3 328.367 0.574 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000659690699 440426423 /nfs/dbraw/zinc/42/64/23/440426423.db2.gz SCCGGBZZPHQHAE-KGLIPLIRSA-N 1 3 347.463 0.447 20 0 ECADHO CN1CCN(CC2(C)CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659614972 440374936 /nfs/dbraw/zinc/37/49/36/440374936.db2.gz FFMGUDXLACZWLV-UHFFFAOYSA-N 1 3 349.523 0.798 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000654682252 440377164 /nfs/dbraw/zinc/37/71/64/440377164.db2.gz JZPSHGIOFRPUGU-UHFFFAOYSA-N 1 3 340.476 0.063 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000659628449 440381513 /nfs/dbraw/zinc/38/15/13/440381513.db2.gz DXGATEBPUPUJLH-NWDGAFQWSA-N 1 3 334.424 0.172 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631871 440384121 /nfs/dbraw/zinc/38/41/21/440384121.db2.gz JEXIYVJJZDBFNQ-GFCCVEGCSA-N 1 3 336.440 0.514 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631871 440384125 /nfs/dbraw/zinc/38/41/25/440384125.db2.gz JEXIYVJJZDBFNQ-GFCCVEGCSA-N 1 3 336.440 0.514 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000659632357 440387931 /nfs/dbraw/zinc/38/79/31/440387931.db2.gz WGPOOVIDKGOJIE-AWEZNQCLSA-N 1 3 348.451 0.801 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638140917 440464512 /nfs/dbraw/zinc/46/45/12/440464512.db2.gz PPIBNFQATMXWAL-FUHWJXTLSA-N 1 3 347.507 0.198 20 0 ECADHO C[C@@H](CN1CCN(C)CC1)NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638140917 440464516 /nfs/dbraw/zinc/46/45/16/440464516.db2.gz PPIBNFQATMXWAL-FUHWJXTLSA-N 1 3 347.507 0.198 20 0 ECADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638149671 440466813 /nfs/dbraw/zinc/46/68/13/440466813.db2.gz SONPWSACKFYMGG-PMPSAXMXSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659735496 440471786 /nfs/dbraw/zinc/47/17/86/440471786.db2.gz GRPURGBYXAUYDJ-GOEBONIOSA-N 1 3 338.496 0.999 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737142 440473480 /nfs/dbraw/zinc/47/34/80/440473480.db2.gz ROPUAWCGQGKJBN-SOUVJXGZSA-N 1 3 336.480 0.705 20 0 ECADHO CC(C)CC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000638096762 440433719 /nfs/dbraw/zinc/43/37/19/440433719.db2.gz LQCBMUYQLHGDCF-CABCVRRESA-N 1 3 326.485 0.809 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C(N)=O)CCC3)CC2)CC1 ZINC000654935598 440441054 /nfs/dbraw/zinc/44/10/54/440441054.db2.gz SXVUOXIPLYBVBA-UHFFFAOYSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000659712895 440446729 /nfs/dbraw/zinc/44/67/29/440446729.db2.gz GUTWXHGDCIXCCL-HOCLYGCPSA-N 1 3 332.448 0.225 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000659720694 440456092 /nfs/dbraw/zinc/45/60/92/440456092.db2.gz VVEVIRIKXNHPNL-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000659722148 440457654 /nfs/dbraw/zinc/45/76/54/440457654.db2.gz FKJSYIHPXIDBRA-CRAIPNDOSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659722870 440457958 /nfs/dbraw/zinc/45/79/58/440457958.db2.gz PRUSELSOGJLEAL-LSDHHAIUSA-N 1 3 336.480 0.768 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659722730 440458011 /nfs/dbraw/zinc/45/80/11/440458011.db2.gz OMGKEYFTIJMLGN-INIZCTEOSA-N 1 3 330.432 0.507 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000659722153 440458926 /nfs/dbraw/zinc/45/89/26/440458926.db2.gz FKJSYIHPXIDBRA-MAUKXSAKSA-N 1 3 338.496 0.729 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)COC3(C)CNC3)nc2)CC1 ZINC000649353631 440484368 /nfs/dbraw/zinc/48/43/68/440484368.db2.gz WBJZLWJLFJYKEZ-UHFFFAOYSA-N 1 3 347.463 0.929 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000659755965 440493012 /nfs/dbraw/zinc/49/30/12/440493012.db2.gz OAHNCBSEFMVOIN-CYBMUJFWSA-N 1 3 338.427 0.440 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000665595468 440499627 /nfs/dbraw/zinc/49/96/27/440499627.db2.gz ZUPAKXDXENEHIX-MJBXVCDLSA-N 1 3 337.472 0.855 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000665595468 440499632 /nfs/dbraw/zinc/49/96/32/440499632.db2.gz ZUPAKXDXENEHIX-MJBXVCDLSA-N 1 3 337.472 0.855 20 0 ECADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638305255 440505280 /nfs/dbraw/zinc/50/52/80/440505280.db2.gz SRAAQBOYXHMPEQ-HNNXBMFYSA-N 1 3 331.464 0.628 20 0 ECADHO CNC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763426 440523320 /nfs/dbraw/zinc/52/33/20/440523320.db2.gz AFQFVGYGWHAUCF-UONOGXRCSA-N 1 3 327.473 0.036 20 0 ECADHO CNC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763426 440523326 /nfs/dbraw/zinc/52/33/26/440523326.db2.gz AFQFVGYGWHAUCF-UONOGXRCSA-N 1 3 327.473 0.036 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(CO)CCOCC1 ZINC000665760977 440524790 /nfs/dbraw/zinc/52/47/90/440524790.db2.gz UBHIFTCHSPUVQE-HNNXBMFYSA-N 1 3 344.500 0.347 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(CO)CCOCC1 ZINC000665760977 440524799 /nfs/dbraw/zinc/52/47/99/440524799.db2.gz UBHIFTCHSPUVQE-HNNXBMFYSA-N 1 3 344.500 0.347 20 0 ECADHO C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760686 440526676 /nfs/dbraw/zinc/52/66/76/440526676.db2.gz MXWRWLBFLITJOZ-JYJNAYRXSA-N 1 3 344.500 0.440 20 0 ECADHO C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760686 440526682 /nfs/dbraw/zinc/52/66/82/440526682.db2.gz MXWRWLBFLITJOZ-JYJNAYRXSA-N 1 3 344.500 0.440 20 0 ECADHO Cc1cn2c(n1)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000665760545 440527203 /nfs/dbraw/zinc/52/72/03/440527203.db2.gz JUOUOEYCUSJDGT-AWEZNQCLSA-N 1 3 336.484 0.989 20 0 ECADHO Cc1cn2c(n1)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000665760545 440527206 /nfs/dbraw/zinc/52/72/06/440527206.db2.gz JUOUOEYCUSJDGT-AWEZNQCLSA-N 1 3 336.484 0.989 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000665763558 440531323 /nfs/dbraw/zinc/53/13/23/440531323.db2.gz FPBPYKVOPFGTNZ-YESZJQIVSA-N 1 3 339.528 0.994 20 0 ECADHO C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H](N)CC(F)F)cc1 ZINC000638527085 440561125 /nfs/dbraw/zinc/56/11/25/440561125.db2.gz QPNHBIISDDDQTC-LBPRGKRZSA-N 1 3 328.363 0.899 20 0 ECADHO C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H](N)CC(F)F)cc1 ZINC000638527084 440562423 /nfs/dbraw/zinc/56/24/23/440562423.db2.gz QPNHBIISDDDQTC-GFCCVEGCSA-N 1 3 328.363 0.899 20 0 ECADHO C[C@@H](NC(=O)NC[C@@H]1CCCN1CCCO)C1CC[NH+](C)CC1 ZINC000655576985 440592411 /nfs/dbraw/zinc/59/24/11/440592411.db2.gz SUEYRWGSALEWQC-ZBFHGGJFSA-N 1 3 326.485 0.863 20 0 ECADHO CN1CCC(N2CC[C@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)CC1 ZINC000655712599 440619764 /nfs/dbraw/zinc/61/97/64/440619764.db2.gz RSCGWKULPZROET-PKOBYXMFSA-N 1 3 336.524 0.998 20 0 ECADHO O=C(C[C@H]1CSCCN1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638785192 440622832 /nfs/dbraw/zinc/62/28/32/440622832.db2.gz ZYJUCLSHUMMQRN-LSDHHAIUSA-N 1 3 327.494 0.699 20 0 ECADHO CC[C@H](CNS(C)(=O)=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772756 440624550 /nfs/dbraw/zinc/62/45/50/440624550.db2.gz MALWQTXCSQZWQO-UKRRQHHQSA-N 1 3 333.498 0.547 20 0 ECADHO NCc1ccc2c(c1)N(C(=O)c1cn([C@H]3CCC[NH2+]C3)nn1)CCO2 ZINC000638807547 440628672 /nfs/dbraw/zinc/62/86/72/440628672.db2.gz LHLGJJZWCRUDFP-ZDUSSCGKSA-N 1 3 342.403 0.701 20 0 ECADHO CC(C)(CN1CCOCC1)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638983713 440658467 /nfs/dbraw/zinc/65/84/67/440658467.db2.gz NCAYPLAUCPIQNC-UHFFFAOYSA-N 1 3 347.463 0.788 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nccc(N(C)C)n1 ZINC000666585388 440661102 /nfs/dbraw/zinc/66/11/02/440661102.db2.gz AIGJBOONNPOOLN-ZDUSSCGKSA-N 1 3 337.472 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nccc(N(C)C)n1 ZINC000666585388 440661107 /nfs/dbraw/zinc/66/11/07/440661107.db2.gz AIGJBOONNPOOLN-ZDUSSCGKSA-N 1 3 337.472 0.936 20 0 ECADHO CN(CC(=O)N(C)C1CCCCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666620250 440666145 /nfs/dbraw/zinc/66/61/45/440666145.db2.gz UJGBNWJVHQCYMD-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO NC[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(F)(F)F ZINC000655920047 440643287 /nfs/dbraw/zinc/64/32/87/440643287.db2.gz RVDXVKLBKGAWMY-CMPLNLGQSA-N 1 3 338.374 0.676 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655917842 440643876 /nfs/dbraw/zinc/64/38/76/440643876.db2.gz XWILYOFRYUXQSL-QWRGUYRKSA-N 1 3 326.363 0.628 20 0 ECADHO O[C@]1(CNCCc2nnc3n2CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000634700573 440693190 /nfs/dbraw/zinc/69/31/90/440693190.db2.gz BOJIKPNTORYTAQ-IBGZPJMESA-N 1 3 341.459 0.993 20 0 ECADHO O[C@]1(CNCCc2nnc3n2CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700573 440693198 /nfs/dbraw/zinc/69/31/98/440693198.db2.gz BOJIKPNTORYTAQ-IBGZPJMESA-N 1 3 341.459 0.993 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656299392 440754981 /nfs/dbraw/zinc/75/49/81/440754981.db2.gz RPTICNCEDHQJIG-NCOADZHNSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656299392 440754982 /nfs/dbraw/zinc/75/49/82/440754982.db2.gz RPTICNCEDHQJIG-NCOADZHNSA-N 1 3 348.491 0.863 20 0 ECADHO C[NH2+]CCOCCN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000629528681 440718652 /nfs/dbraw/zinc/71/86/52/440718652.db2.gz GOUBVAJYXVWIFQ-CYBMUJFWSA-N 1 3 329.466 0.824 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000629536866 440722708 /nfs/dbraw/zinc/72/27/08/440722708.db2.gz JPPKRFMQIQRVNC-ZIAGYGMSSA-N 1 3 338.452 0.535 20 0 ECADHO O=C1COc2ccccc2N1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629563101 440729230 /nfs/dbraw/zinc/72/92/30/440729230.db2.gz DXFKXYLEYWZVEV-HNNXBMFYSA-N 1 3 333.432 0.848 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000660830321 440737556 /nfs/dbraw/zinc/73/75/56/440737556.db2.gz LNNWEXOVNJAOCQ-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000660830321 440737563 /nfs/dbraw/zinc/73/75/63/440737563.db2.gz LNNWEXOVNJAOCQ-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCN(c2ccncc2)CC1 ZINC000645221907 440766672 /nfs/dbraw/zinc/76/66/72/440766672.db2.gz SGYZBGUCSNZLAC-CQSZACIVSA-N 1 3 341.419 0.388 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645235927 440767200 /nfs/dbraw/zinc/76/72/00/440767200.db2.gz ZETHSHQYXPDJIW-HIFRSBDPSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645235927 440767206 /nfs/dbraw/zinc/76/72/06/440767206.db2.gz ZETHSHQYXPDJIW-HIFRSBDPSA-N 1 3 337.468 0.232 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000645262662 440773731 /nfs/dbraw/zinc/77/37/31/440773731.db2.gz IPEQFNJDJWMYGV-HUUCEWRRSA-N 1 3 339.484 0.478 20 0 ECADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000645262662 440773733 /nfs/dbraw/zinc/77/37/33/440773733.db2.gz IPEQFNJDJWMYGV-HUUCEWRRSA-N 1 3 339.484 0.478 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000661036785 440779893 /nfs/dbraw/zinc/77/98/93/440779893.db2.gz MDMRILLASBZBKG-CVEARBPZSA-N 1 3 325.501 0.796 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000661036785 440779900 /nfs/dbraw/zinc/77/99/00/440779900.db2.gz MDMRILLASBZBKG-CVEARBPZSA-N 1 3 325.501 0.796 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656358558 440789751 /nfs/dbraw/zinc/78/97/51/440789751.db2.gz LGCKDJXJBQWDSY-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000635349444 440825469 /nfs/dbraw/zinc/82/54/69/440825469.db2.gz WDBQDTYGBNDDIO-HZPDHXFCSA-N 1 3 327.469 0.714 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000635349444 440825473 /nfs/dbraw/zinc/82/54/73/440825473.db2.gz WDBQDTYGBNDDIO-HZPDHXFCSA-N 1 3 327.469 0.714 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635496623 440867980 /nfs/dbraw/zinc/86/79/80/440867980.db2.gz GTWZPUPEDHQROD-KRWDZBQOSA-N 1 3 348.491 0.770 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635496623 440867988 /nfs/dbraw/zinc/86/79/88/440867988.db2.gz GTWZPUPEDHQROD-KRWDZBQOSA-N 1 3 348.491 0.770 20 0 ECADHO COCC1(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC[NH2+]CC1 ZINC000646003227 440967225 /nfs/dbraw/zinc/96/72/25/440967225.db2.gz WVVGZDLXALOKQH-MRXNPFEDSA-N 1 3 338.496 0.241 20 0 ECADHO COc1ccc(CN2CCC(CNC(=O)COCC[NH3+])CC2)cc1 ZINC000645791917 440920086 /nfs/dbraw/zinc/92/00/86/440920086.db2.gz AHRCUIQCUOJVJN-UHFFFAOYSA-N 1 3 335.448 0.999 20 0 ECADHO CC(C)[C@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@@H](C)[NH3+] ZINC000646075319 440988961 /nfs/dbraw/zinc/98/89/61/440988961.db2.gz BFDSBOLQWBCSNA-DOMZBBRYSA-N 1 3 338.456 0.119 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2cn(CCCC[NH3+])nn2)CCSC1 ZINC000646151296 441009029 /nfs/dbraw/zinc/00/90/29/441009029.db2.gz DXYJTJFPZBYCCC-CQSZACIVSA-N 1 3 326.470 0.184 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000646187577 441021942 /nfs/dbraw/zinc/02/19/42/441021942.db2.gz FJJGMAITGVWATD-MELADBBJSA-N 1 3 327.473 0.354 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652182021 441024931 /nfs/dbraw/zinc/02/49/31/441024931.db2.gz XWORVWKFNWKORF-ARFHVFGLSA-N 1 3 342.484 0.493 20 0 ECADHO O=C(CNC(=O)N[C@@H]1CCC[NH2+]CC1)NCCN1CCCCCC1 ZINC000641076322 441053361 /nfs/dbraw/zinc/05/33/61/441053361.db2.gz SAKLCJNINJIREZ-OAHLLOKOSA-N 1 3 339.484 0.420 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000635965272 441054089 /nfs/dbraw/zinc/05/40/89/441054089.db2.gz LCHAEMUSUGGYDU-SFHVURJKSA-N 1 3 341.496 0.916 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000635965272 441054093 /nfs/dbraw/zinc/05/40/93/441054093.db2.gz LCHAEMUSUGGYDU-SFHVURJKSA-N 1 3 341.496 0.916 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000635965270 441054671 /nfs/dbraw/zinc/05/46/71/441054671.db2.gz LCHAEMUSUGGYDU-GOSISDBHSA-N 1 3 341.496 0.916 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000635965270 441054676 /nfs/dbraw/zinc/05/46/76/441054676.db2.gz LCHAEMUSUGGYDU-GOSISDBHSA-N 1 3 341.496 0.916 20 0 ECADHO CCO[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000652356556 441056008 /nfs/dbraw/zinc/05/60/08/441056008.db2.gz RXPWWCKRQJYZEQ-FGTMMUONSA-N 1 3 348.491 0.701 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641215144 441076772 /nfs/dbraw/zinc/07/67/72/441076772.db2.gz NXXYUEBUZNXVNT-SJLPKXTDSA-N 1 3 329.448 0.923 20 0 ECADHO CN1CCC(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000284663136 320629042 /nfs/dbraw/zinc/62/90/42/320629042.db2.gz CSQFJGVVOSDGAJ-UHFFFAOYSA-N 1 3 346.475 0.617 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000332541017 320904386 /nfs/dbraw/zinc/90/43/86/320904386.db2.gz KWBPKMUQBVRJHC-INIZCTEOSA-N 1 3 336.480 0.803 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000332678723 320909913 /nfs/dbraw/zinc/90/99/13/320909913.db2.gz QZUKLJWVWSNQFL-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000339667603 320994638 /nfs/dbraw/zinc/99/46/38/320994638.db2.gz UKMWEZKAIXFNMB-UHFFFAOYSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000340251185 321028995 /nfs/dbraw/zinc/02/89/95/321028995.db2.gz BUFZMXDJQIFEIK-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000340251185 321028996 /nfs/dbraw/zinc/02/89/96/321028996.db2.gz BUFZMXDJQIFEIK-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000342032904 321072868 /nfs/dbraw/zinc/07/28/68/321072868.db2.gz IHTRCMSATMBMSL-ARFHVFGLSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000342032904 321072870 /nfs/dbraw/zinc/07/28/70/321072870.db2.gz IHTRCMSATMBMSL-ARFHVFGLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)N(C)C1CC1 ZINC000342902088 321109053 /nfs/dbraw/zinc/10/90/53/321109053.db2.gz FTSNMYQVNGUTIS-CYBMUJFWSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000342903397 321109195 /nfs/dbraw/zinc/10/91/95/321109195.db2.gz LILRYTKMQUPJCD-DZGCQCFKSA-N 1 3 338.496 0.964 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000343016278 321116739 /nfs/dbraw/zinc/11/67/39/321116739.db2.gz UEOHBGHQPUNCJM-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO COCCN1CC[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344195312 321143028 /nfs/dbraw/zinc/14/30/28/321143028.db2.gz IMDBBKXFIQAKEA-RBUKOAKNSA-N 1 3 333.476 0.934 20 0 ECADHO COCCN1CC[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344195312 321143029 /nfs/dbraw/zinc/14/30/29/321143029.db2.gz IMDBBKXFIQAKEA-RBUKOAKNSA-N 1 3 333.476 0.934 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000344417420 321150709 /nfs/dbraw/zinc/15/07/09/321150709.db2.gz GWEBJKHEWUUWRX-OAHLLOKOSA-N 1 3 326.485 0.491 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000344417420 321150710 /nfs/dbraw/zinc/15/07/10/321150710.db2.gz GWEBJKHEWUUWRX-OAHLLOKOSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[N@@H+]1C ZINC000347980571 321262331 /nfs/dbraw/zinc/26/23/31/321262331.db2.gz RUBMLJOSEPWFMP-KFWWJZLASA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[N@H+]1C ZINC000347980571 321262332 /nfs/dbraw/zinc/26/23/32/321262332.db2.gz RUBMLJOSEPWFMP-KFWWJZLASA-N 1 3 338.496 0.822 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN(C)CCCN2CCN(C)CC2)CC1 ZINC000348573191 321281317 /nfs/dbraw/zinc/28/13/17/321281317.db2.gz WDVWZOHHJVQXFJ-UHFFFAOYSA-N 1 3 339.528 0.156 20 0 ECADHO CC1C[C@H](C(=O)N(C)CCN(C)C)[C@@H](C(=O)N(C)CC[NH+](C)C)C1 ZINC000360751936 321611168 /nfs/dbraw/zinc/61/11/68/321611168.db2.gz CHDKFZAIWOYYGG-HOTGVXAUSA-N 1 3 340.512 0.689 20 0 ECADHO COCC[NH+]1CCC(NC[C@]2(CO)COCC3(CCC3)N2C)CC1 ZINC000527945875 322015746 /nfs/dbraw/zinc/01/57/46/322015746.db2.gz GESVLLOYIBLJTE-SFHVURJKSA-N 1 3 341.496 0.303 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)C1CCCCC1 ZINC000531118767 322035397 /nfs/dbraw/zinc/03/53/97/322035397.db2.gz APMJKFSBYMBJBQ-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO CCO[C@H]1COCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000546121842 322116232 /nfs/dbraw/zinc/11/62/32/322116232.db2.gz LFXWWOJVEJLOFG-CABCVRRESA-N 1 3 330.473 0.315 20 0 ECADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccncc1 ZINC000558088949 322213836 /nfs/dbraw/zinc/21/38/36/322213836.db2.gz YJNXYUMODBJNLN-INIZCTEOSA-N 1 3 349.479 0.601 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000563119607 322299272 /nfs/dbraw/zinc/29/92/72/322299272.db2.gz UYPZSAUJMPAZCD-FZMZJTMJSA-N 1 3 343.497 0.419 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1CC[NH2+]CC1 ZINC000564063032 322359503 /nfs/dbraw/zinc/35/95/03/322359503.db2.gz OJSQFKCIABMMKC-OAHLLOKOSA-N 1 3 339.484 0.228 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000564347843 322371776 /nfs/dbraw/zinc/37/17/76/322371776.db2.gz HTLQQCRSICZQSB-AWEZNQCLSA-N 1 3 326.485 0.857 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(-c2ccncc2)c1 ZINC000565284345 322447586 /nfs/dbraw/zinc/44/75/86/322447586.db2.gz AONDQJZRCHNELI-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO Cc1ccc([C@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)N(C)C)cc1 ZINC000567594563 322588732 /nfs/dbraw/zinc/58/87/32/322588732.db2.gz MKAYQZVKKNDAAI-INIZCTEOSA-N 1 3 332.448 0.982 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000572402613 322744141 /nfs/dbraw/zinc/74/41/41/322744141.db2.gz ZALZEXRRTJDXKF-UHFFFAOYSA-N 1 3 329.470 0.173 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNc1ccccc1C(N)=O ZINC000572683201 322749221 /nfs/dbraw/zinc/74/92/21/322749221.db2.gz KZUXGLPDSOQADD-UHFFFAOYSA-N 1 3 335.452 0.149 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C[NH+]1CCCC1 ZINC000574062223 322772830 /nfs/dbraw/zinc/77/28/30/322772830.db2.gz AJIUCOLILYFIEO-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000576014776 322800168 /nfs/dbraw/zinc/80/01/68/322800168.db2.gz PNUSDRNQKXJTEA-KRWDZBQOSA-N 1 3 346.479 0.501 20 0 ECADHO CN1CCN(C[C@H](O)CNCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000576487734 322808378 /nfs/dbraw/zinc/80/83/78/322808378.db2.gz DUKGOIBFVJBUFZ-HXUWFJFHSA-N 1 3 346.519 0.980 20 0 ECADHO CC[C@]1(C)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000577072249 322824318 /nfs/dbraw/zinc/82/43/18/322824318.db2.gz OAYLOTVJVMRLCW-GOSISDBHSA-N 1 3 340.512 0.977 20 0 ECADHO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000577603229 322840056 /nfs/dbraw/zinc/84/00/56/322840056.db2.gz NQUWRZYCFAYFLI-UHFFFAOYSA-N 1 3 347.467 0.882 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)C[C@H]12 ZINC000578858129 322877409 /nfs/dbraw/zinc/87/74/09/322877409.db2.gz UHOYBLBPLCGXNJ-LVQVYYBASA-N 1 3 334.464 0.269 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000236660105 545926839 /nfs/dbraw/zinc/92/68/39/545926839.db2.gz FODHDTVOVDWNEV-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000342988165 546089380 /nfs/dbraw/zinc/08/93/80/546089380.db2.gz NLHZKAFWKCYCSH-JKSUJKDBSA-N 1 3 340.512 0.927 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000342988165 546089386 /nfs/dbraw/zinc/08/93/86/546089386.db2.gz NLHZKAFWKCYCSH-JKSUJKDBSA-N 1 3 340.512 0.927 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000343019187 546093688 /nfs/dbraw/zinc/09/36/88/546093688.db2.gz YKZOUDPWXMAHSP-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415947863 546208140 /nfs/dbraw/zinc/20/81/40/546208140.db2.gz BFTNHNDWYLOCGG-ZDUSSCGKSA-N 1 3 335.456 0.738 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC[C@@H](N3CCCC3)C1)C2 ZINC000622026907 546608075 /nfs/dbraw/zinc/60/80/75/546608075.db2.gz USXKQGZAAIYPTO-RKVPGOIHSA-N 1 3 334.464 0.413 20 0 ECADHO COc1ccccc1[C@H](CNc1nc(N)nc(N)n1)[NH+]1CCCC1 ZINC000623799593 546844291 /nfs/dbraw/zinc/84/42/91/546844291.db2.gz DVWLMMXLMAIFMD-LBPRGKRZSA-N 1 3 329.408 0.376 20 0 ECADHO C[C@@H]1C[C@@H]1C[N@H+](CCCCN(C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000625932066 547254423 /nfs/dbraw/zinc/25/44/23/547254423.db2.gz OZKACHXFACIONU-LVQVYYBASA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1C[C@@H]1C[N@@H+](CCCCN(C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000625932066 547254428 /nfs/dbraw/zinc/25/44/28/547254428.db2.gz OZKACHXFACIONU-LVQVYYBASA-N 1 3 336.480 0.433 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000658406474 547443308 /nfs/dbraw/zinc/44/33/08/547443308.db2.gz BYHKCBSOCAPFSB-CQSZACIVSA-N 1 3 345.513 0.713 20 0 ECADHO CN1CCC(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000668362018 547634895 /nfs/dbraw/zinc/63/48/95/547634895.db2.gz OIFCOQDZMPONQB-UHFFFAOYSA-N 1 3 336.480 0.435 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668499593 547671364 /nfs/dbraw/zinc/67/13/64/547671364.db2.gz HWRSAMDNRBDMCP-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668499593 547671369 /nfs/dbraw/zinc/67/13/69/547671369.db2.gz HWRSAMDNRBDMCP-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668502399 547671961 /nfs/dbraw/zinc/67/19/61/547671961.db2.gz TXQJZIHMFOEYPB-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668502399 547671963 /nfs/dbraw/zinc/67/19/63/547671963.db2.gz TXQJZIHMFOEYPB-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000668672313 547720497 /nfs/dbraw/zinc/72/04/97/547720497.db2.gz NCAVCLMGYJZLGR-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000668752967 547741707 /nfs/dbraw/zinc/74/17/07/547741707.db2.gz ZEAAFHGFQMOFLI-UKRRQHHQSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000668794865 547750741 /nfs/dbraw/zinc/75/07/41/547750741.db2.gz SIYVTSQDUSBVAX-CABCVRRESA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000668794865 547750746 /nfs/dbraw/zinc/75/07/46/547750746.db2.gz SIYVTSQDUSBVAX-CABCVRRESA-N 1 3 338.496 0.822 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000669086155 547825814 /nfs/dbraw/zinc/82/58/14/547825814.db2.gz HSILSKRSNDUREX-HNSVSWJLSA-N 1 3 336.480 0.718 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000669086155 547825819 /nfs/dbraw/zinc/82/58/19/547825819.db2.gz HSILSKRSNDUREX-HNSVSWJLSA-N 1 3 336.480 0.718 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000669573414 547908399 /nfs/dbraw/zinc/90/83/99/547908399.db2.gz HLKZBIBTMUOLIE-HZPDHXFCSA-N 1 3 337.512 0.796 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000670545128 548030279 /nfs/dbraw/zinc/03/02/79/548030279.db2.gz CQPUOZRDNNCVDX-MRXNPFEDSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000671091259 548088359 /nfs/dbraw/zinc/08/83/59/548088359.db2.gz XTJBUAYOMQPSSS-QGZVFWFLSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000672593740 548358071 /nfs/dbraw/zinc/35/80/71/548358071.db2.gz OYNVOLVKYRXKBK-CABCVRRESA-N 1 3 345.447 0.329 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000672593740 548358072 /nfs/dbraw/zinc/35/80/72/548358072.db2.gz OYNVOLVKYRXKBK-CABCVRRESA-N 1 3 345.447 0.329 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000673123283 548448648 /nfs/dbraw/zinc/44/86/48/548448648.db2.gz YMQHIQQPOHNUNT-ZCRFILTFSA-N 1 3 348.491 0.813 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000673123283 548448651 /nfs/dbraw/zinc/44/86/51/548448651.db2.gz YMQHIQQPOHNUNT-ZCRFILTFSA-N 1 3 348.491 0.813 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000674704600 548663775 /nfs/dbraw/zinc/66/37/75/548663775.db2.gz UOQDFKVXFQPRFJ-LSDHHAIUSA-N 1 3 337.512 0.937 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000674704600 548663781 /nfs/dbraw/zinc/66/37/81/548663781.db2.gz UOQDFKVXFQPRFJ-LSDHHAIUSA-N 1 3 337.512 0.937 20 0 ECADHO C[C@H](NC(=O)N(C)CCCN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000679381229 549086358 /nfs/dbraw/zinc/08/63/58/549086358.db2.gz WVFPBIYSGUGWON-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H](NC(=O)NCC(C)(C)N1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC000679684598 549115853 /nfs/dbraw/zinc/11/58/53/549115853.db2.gz PLNOFKDFENJEPV-OAHLLOKOSA-N 1 3 337.512 0.962 20 0 ECADHO C[C@@H](NC(=O)NCC(C)(C)N1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000679684598 549115854 /nfs/dbraw/zinc/11/58/54/549115854.db2.gz PLNOFKDFENJEPV-OAHLLOKOSA-N 1 3 337.512 0.962 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000685519272 549703855 /nfs/dbraw/zinc/70/38/55/549703855.db2.gz BQRXVUPUULZRRF-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000751503881 579370413 /nfs/dbraw/zinc/37/04/13/579370413.db2.gz BDWLRVVBRCBIAE-UHFFFAOYSA-N 1 3 342.484 0.805 20 0 ECADHO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000733997025 578351196 /nfs/dbraw/zinc/35/11/96/578351196.db2.gz PHYCQEVXMMPIRR-NCPSJORJSA-N 1 3 341.477 0.850 20 0 ECADHO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000733997025 578351198 /nfs/dbraw/zinc/35/11/98/578351198.db2.gz PHYCQEVXMMPIRR-NCPSJORJSA-N 1 3 341.477 0.850 20 0 ECADHO O=C(NCCNc1cc[nH+]cc1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734281419 578355856 /nfs/dbraw/zinc/35/58/56/578355856.db2.gz JGHSBZYUEWORAA-KRWDZBQOSA-N 1 3 347.463 0.858 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793697548 578935514 /nfs/dbraw/zinc/93/55/14/578935514.db2.gz IFDQKXBLOFDPFN-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793697548 578935516 /nfs/dbraw/zinc/93/55/16/578935516.db2.gz IFDQKXBLOFDPFN-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793710540 578936761 /nfs/dbraw/zinc/93/67/61/578936761.db2.gz RWFORWLUXCBHPV-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCNS(=O)(=O)CC[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000772978484 579218235 /nfs/dbraw/zinc/21/82/35/579218235.db2.gz NKHDKZBHBUHGSK-CABCVRRESA-N 1 3 335.514 0.652 20 0 ECADHO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CN2CCN1CCC2 ZINC000764271987 579574292 /nfs/dbraw/zinc/57/42/92/579574292.db2.gz WNEUNYMENKEYBE-IAGOWNOFSA-N 1 3 336.480 0.136 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841006459 588976172 /nfs/dbraw/zinc/97/61/72/588976172.db2.gz DPPBZUMCETZWPE-CQSZACIVSA-N 1 3 348.447 0.953 20 0 ECADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841129112 588978894 /nfs/dbraw/zinc/97/88/94/588978894.db2.gz ANBQRSQBVPGNBY-HNNXBMFYSA-N 1 3 348.447 0.953 20 0 ECADHO [NH3+]CCOc1cccc(NC(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000841280694 588985610 /nfs/dbraw/zinc/98/56/10/588985610.db2.gz BDWIQOBPLILFEM-OAHLLOKOSA-N 1 3 336.436 0.992 20 0 ECADHO C[C@H](CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[NH+]1CCCCC1 ZINC000841727386 588999477 /nfs/dbraw/zinc/99/94/77/588999477.db2.gz ZDUDBAUJILFKPD-ZBFHGGJFSA-N 1 3 349.483 0.958 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000891498726 586171549 /nfs/dbraw/zinc/17/15/49/586171549.db2.gz WOYBMJLPULEPKY-HOTGVXAUSA-N 1 3 345.447 0.234 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)CN1CCN(C)CC1 ZINC000891603891 586181004 /nfs/dbraw/zinc/18/10/04/586181004.db2.gz SBHRMMJZWPJEIL-HOTGVXAUSA-N 1 3 339.528 0.947 20 0 ECADHO CC(C)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000891753541 586194509 /nfs/dbraw/zinc/19/45/09/586194509.db2.gz ZASYILMADLIKBH-SJORKVTESA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000891753541 586194511 /nfs/dbraw/zinc/19/45/11/586194511.db2.gz ZASYILMADLIKBH-SJORKVTESA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000895665955 586196875 /nfs/dbraw/zinc/19/68/75/586196875.db2.gz HPCAGNKIOBCPPC-CWRNSKLLSA-N 1 3 326.485 0.983 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000895665955 586196877 /nfs/dbraw/zinc/19/68/77/586196877.db2.gz HPCAGNKIOBCPPC-CWRNSKLLSA-N 1 3 326.485 0.983 20 0 ECADHO CCN1CCN(CCCNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895715522 586200640 /nfs/dbraw/zinc/20/06/40/586200640.db2.gz TVHLTFFTLINROM-UHFFFAOYSA-N 1 3 338.496 0.241 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)CC2)CC1 ZINC000892431570 586266048 /nfs/dbraw/zinc/26/60/48/586266048.db2.gz ZUWWIIHWDTVCFR-WKILWMFISA-N 1 3 337.512 0.925 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](O)[C@H](F)C3)CC2)CC1 ZINC000892521857 586271338 /nfs/dbraw/zinc/27/13/38/586271338.db2.gz HWCOHSVAIYUVLC-CVEARBPZSA-N 1 3 342.459 0.659 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C2CN([C@@H]3CCOC3)C2)CC1 ZINC000896899047 586277039 /nfs/dbraw/zinc/27/70/39/586277039.db2.gz YSXIQBSQKLFLDF-DOTOQJQBSA-N 1 3 338.496 0.097 20 0 ECADHO C[C@@H]1CCN(CCNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000897435991 586318393 /nfs/dbraw/zinc/31/83/93/586318393.db2.gz SRYHREHPLQYNKN-SJORKVTESA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H]1CCN(CCNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000897435991 586318397 /nfs/dbraw/zinc/31/83/97/586318397.db2.gz SRYHREHPLQYNKN-SJORKVTESA-N 1 3 337.512 0.750 20 0 ECADHO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000897561648 586345146 /nfs/dbraw/zinc/34/51/46/586345146.db2.gz AGTBCXOTAPKKPZ-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO C[N@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000897561648 586345148 /nfs/dbraw/zinc/34/51/48/586345148.db2.gz AGTBCXOTAPKKPZ-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000843048012 589047981 /nfs/dbraw/zinc/04/79/81/589047981.db2.gz IYMULNZPOBXAJF-HNNXBMFYSA-N 1 3 328.420 0.554 20 0 ECADHO CC1(C)CC[N@H+](CCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000898586753 586434882 /nfs/dbraw/zinc/43/48/82/586434882.db2.gz QTNAQVINZPLPLL-JKSUJKDBSA-N 1 3 338.496 0.959 20 0 ECADHO CC1(C)CC[N@@H+](CCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000898586753 586434883 /nfs/dbraw/zinc/43/48/83/586434883.db2.gz QTNAQVINZPLPLL-JKSUJKDBSA-N 1 3 338.496 0.959 20 0 ECADHO CN1CCN(C)CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000899652489 586493965 /nfs/dbraw/zinc/49/39/65/586493965.db2.gz FWRVHIGIYREMLR-UHFFFAOYSA-N 1 3 329.558 0.628 20 0 ECADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000899811294 586507682 /nfs/dbraw/zinc/50/76/82/586507682.db2.gz UUSHQNDWWZMGJA-RDJZCZTQSA-N 1 3 329.448 0.509 20 0 ECADHO C[C@@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC000900649364 586651459 /nfs/dbraw/zinc/65/14/59/586651459.db2.gz NODAERQBABSBQY-AWEZNQCLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC000900649364 586651460 /nfs/dbraw/zinc/65/14/60/586651460.db2.gz NODAERQBABSBQY-AWEZNQCLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)C(=O)CN(C)C1CCC1 ZINC000900649364 586651462 /nfs/dbraw/zinc/65/14/62/586651462.db2.gz NODAERQBABSBQY-AWEZNQCLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)N(C)C(=O)CN(C)C1CCC1 ZINC000900649364 586651464 /nfs/dbraw/zinc/65/14/64/586651464.db2.gz NODAERQBABSBQY-AWEZNQCLSA-N 1 3 338.496 0.918 20 0 ECADHO CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903764726 586808954 /nfs/dbraw/zinc/80/89/54/586808954.db2.gz VMKNOJPPZBYQCP-BNOWGMLFSA-N 1 3 335.370 0.755 20 0 ECADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](N)C(C)(C)C3)C2)CC1 ZINC000903759021 586813036 /nfs/dbraw/zinc/81/30/36/586813036.db2.gz MUYRHRHKEJPZOF-HUUCEWRRSA-N 1 3 336.480 0.372 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCNC[C@@H]2c2cccnc2)cnn1C ZINC000903906064 586825051 /nfs/dbraw/zinc/82/50/51/586825051.db2.gz RIPFKQNEEHUQOM-CRAIPNDOSA-N 1 3 328.464 0.887 20 0 ECADHO C[C@H](Cn1ncc2ccccc2c1=O)NC1CCN(CC[NH3+])CC1 ZINC000904360523 586835930 /nfs/dbraw/zinc/83/59/30/586835930.db2.gz MVHQAQJZZDFLCT-CQSZACIVSA-N 1 3 329.448 0.798 20 0 ECADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(CO)(C(F)(F)F)CC2)C1 ZINC000904429035 586837028 /nfs/dbraw/zinc/83/70/28/586837028.db2.gz VBLHTSBVELXATQ-GFCCVEGCSA-N 1 3 337.386 0.821 20 0 ECADHO NC[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000904999288 586857181 /nfs/dbraw/zinc/85/71/81/586857181.db2.gz GIUTUXCJXOEDNH-HNAYVOBHSA-N 1 3 348.491 0.803 20 0 ECADHO C[NH+]1CCC2(CCN(C(=O)C(=O)N3CC[C@@H]4CC[C@]43CN)CC2)CC1 ZINC000905007831 586859282 /nfs/dbraw/zinc/85/92/82/586859282.db2.gz KPQJUQQSTWNBDG-KXBFYZLASA-N 1 3 348.491 0.661 20 0 ECADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)C1(O)CCOCC1 ZINC000905173348 586877051 /nfs/dbraw/zinc/87/70/51/586877051.db2.gz GGAQMRSMLQTFFH-BRWVUGGUSA-N 1 3 342.480 0.246 20 0 ECADHO CCN(CC)CCN(CCOC)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905341200 586888168 /nfs/dbraw/zinc/88/81/68/586888168.db2.gz XDTBRCBYVRLWNG-UHFFFAOYSA-N 1 3 335.514 0.606 20 0 ECADHO COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@H]1CCCN1C(C)C ZINC000906123168 586933950 /nfs/dbraw/zinc/93/39/50/586933950.db2.gz KDBRUTUNPJTYMK-NVXWUHKLSA-N 1 3 327.469 0.665 20 0 ECADHO NCc1ccccc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000906646504 586961012 /nfs/dbraw/zinc/96/10/12/586961012.db2.gz SFMQRMGUVYWMGO-UHFFFAOYSA-N 1 3 339.399 0.828 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)C1CN(C2CCOCC2)C1 ZINC000907351985 587036472 /nfs/dbraw/zinc/03/64/72/587036472.db2.gz MEZVLJJQJWXHHX-UHFFFAOYSA-N 1 3 327.469 0.572 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000806327779 587093124 /nfs/dbraw/zinc/09/31/24/587093124.db2.gz PIFHACVERQDJKO-HNNXBMFYSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000806327779 587093126 /nfs/dbraw/zinc/09/31/26/587093126.db2.gz PIFHACVERQDJKO-HNNXBMFYSA-N 1 3 326.485 0.824 20 0 ECADHO CC(C)C1(O)CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000806641005 587102061 /nfs/dbraw/zinc/10/20/61/587102061.db2.gz GALHCNIUFXELNZ-UHFFFAOYSA-N 1 3 338.496 0.957 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1)N1CCCCC1 ZINC000817767258 587383130 /nfs/dbraw/zinc/38/31/30/587383130.db2.gz PDYSJMNZGWAXNM-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1)N1CCCCC1 ZINC000817767258 587383132 /nfs/dbraw/zinc/38/31/32/587383132.db2.gz PDYSJMNZGWAXNM-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000817766370 587383253 /nfs/dbraw/zinc/38/32/53/587383253.db2.gz FVUCFERNWCWHEP-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000817766370 587383255 /nfs/dbraw/zinc/38/32/55/587383255.db2.gz FVUCFERNWCWHEP-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1CN1CCCCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817934207 587392665 /nfs/dbraw/zinc/39/26/65/587392665.db2.gz COHMUAJTFSMHLK-LPHOPBHVSA-N 1 3 348.491 0.818 20 0 ECADHO CS(=O)(=O)CCNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000818988216 587463581 /nfs/dbraw/zinc/46/35/81/587463581.db2.gz GGKIVPBJTRBDTC-UHFFFAOYSA-N 1 3 326.466 0.228 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844186146 589100872 /nfs/dbraw/zinc/10/08/72/589100872.db2.gz URRVHOOOKRLALS-HNNXBMFYSA-N 1 3 327.469 0.761 20 0 ECADHO CN1CCN(C[C@@H](O)CNc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000819453373 587479887 /nfs/dbraw/zinc/47/98/87/587479887.db2.gz UJVBJLKMAXNTRI-KRWDZBQOSA-N 1 3 336.480 0.647 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)CC1=O ZINC000844195725 589102257 /nfs/dbraw/zinc/10/22/57/589102257.db2.gz ZAEFPVRSYVGJJE-ZDUSSCGKSA-N 1 3 348.451 0.156 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)CC[C@H]21 ZINC000867380527 589133832 /nfs/dbraw/zinc/13/38/32/589133832.db2.gz IBCIOLULUJIDFR-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)CC[C@H]21 ZINC000867380527 589133833 /nfs/dbraw/zinc/13/38/33/589133833.db2.gz IBCIOLULUJIDFR-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000846144957 589188668 /nfs/dbraw/zinc/18/86/68/589188668.db2.gz LHAHEMGTDOIHMD-HZPDHXFCSA-N 1 3 340.468 0.260 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848616017 589304085 /nfs/dbraw/zinc/30/40/85/589304085.db2.gz FQEJNWAYUILGDZ-VKJFTORMSA-N 1 3 334.464 0.474 20 0 ECADHO COCCN(C)CCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849515418 589338868 /nfs/dbraw/zinc/33/88/68/589338868.db2.gz GFWCNYKSJGRTOV-JKSUJKDBSA-N 1 3 337.468 0.150 20 0 ECADHO COCCN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849515418 589338870 /nfs/dbraw/zinc/33/88/70/589338870.db2.gz GFWCNYKSJGRTOV-JKSUJKDBSA-N 1 3 337.468 0.150 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(C[NH2+]C)CC2)CC1 ZINC000852740643 589509141 /nfs/dbraw/zinc/50/91/41/589509141.db2.gz HKYRVZITAXUFLB-CQSZACIVSA-N 1 3 340.468 0.607 20 0 ECADHO CCOC(=O)[C@H]1NCC[C@H]1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000854216623 589575354 /nfs/dbraw/zinc/57/53/54/589575354.db2.gz BHNZAJWLGZXCNZ-SJORKVTESA-N 1 3 339.480 0.761 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000858763962 589772495 /nfs/dbraw/zinc/77/24/95/589772495.db2.gz FAFVJJIUTZIDKW-LSDHHAIUSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000858763962 589772499 /nfs/dbraw/zinc/77/24/99/589772499.db2.gz FAFVJJIUTZIDKW-LSDHHAIUSA-N 1 3 339.484 0.480 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)[C@H]1CCN(CC)C1 ZINC000867628505 589817685 /nfs/dbraw/zinc/81/76/85/589817685.db2.gz CHKIXYIEUMQVLN-JYJNAYRXSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)[C@H]1CCN(CC)C1 ZINC000867628505 589817688 /nfs/dbraw/zinc/81/76/88/589817688.db2.gz CHKIXYIEUMQVLN-JYJNAYRXSA-N 1 3 336.480 0.482 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868014285 589868516 /nfs/dbraw/zinc/86/85/16/589868516.db2.gz YTOUMWJNURDBKS-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868014285 589868518 /nfs/dbraw/zinc/86/85/18/589868518.db2.gz YTOUMWJNURDBKS-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000868165933 589877736 /nfs/dbraw/zinc/87/77/36/589877736.db2.gz IIPIIVPGMLHOQI-UWVGGRQHSA-N 1 3 326.363 0.411 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000861749535 589886697 /nfs/dbraw/zinc/88/66/97/589886697.db2.gz BVVBKFXVVAKTJF-CYBMUJFWSA-N 1 3 336.436 0.049 20 0 ECADHO O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CCN(c2ccncc2)CC1 ZINC000868418145 589904503 /nfs/dbraw/zinc/90/45/03/589904503.db2.gz JFYNQCLLQLJKKP-CVEARBPZSA-N 1 3 343.431 0.083 20 0 ECADHO CCN(C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000869239717 589955301 /nfs/dbraw/zinc/95/53/01/589955301.db2.gz PNOBNHLJBVHLAI-KGLIPLIRSA-N 1 3 342.484 0.994 20 0 ECADHO CCN(C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000869239717 589955303 /nfs/dbraw/zinc/95/53/03/589955303.db2.gz PNOBNHLJBVHLAI-KGLIPLIRSA-N 1 3 342.484 0.994 20 0 ECADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)C[C@H]1C[NH+](C)C ZINC000870022667 589990296 /nfs/dbraw/zinc/99/02/96/589990296.db2.gz WTHCNTMLKJHLLT-CHWSQXEVSA-N 1 3 349.431 0.932 20 0 ECADHO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000863580209 590024963 /nfs/dbraw/zinc/02/49/63/590024963.db2.gz FNFQWNACRJUKCL-LSDHHAIUSA-N 1 3 343.468 0.669 20 0 ECADHO N[C@H](CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000871000716 590044943 /nfs/dbraw/zinc/04/49/43/590044943.db2.gz WWDBHTIWHGAYLN-JJXSEGSLSA-N 1 3 344.415 0.470 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@@H](N3CCCCC3)C1)C2 ZINC000872189741 590101247 /nfs/dbraw/zinc/10/12/47/590101247.db2.gz JFEAXPFUBVYWBG-HDMKZQKVSA-N 1 3 334.464 0.141 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)N(C)C ZINC000872256020 590109099 /nfs/dbraw/zinc/10/90/99/590109099.db2.gz JXZMCJYQWOXZFD-ILXRZTDVSA-N 1 3 338.452 0.356 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000872306147 590113251 /nfs/dbraw/zinc/11/32/51/590113251.db2.gz XZDZFDFCROOTHU-DODZYUBVSA-N 1 3 329.444 0.997 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000865125767 590126380 /nfs/dbraw/zinc/12/63/80/590126380.db2.gz KEEUBYKLFZGUPD-KGLIPLIRSA-N 1 3 342.484 0.994 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875220670 590283248 /nfs/dbraw/zinc/28/32/48/590283248.db2.gz SHRWNACKZIIHFI-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875220670 590283250 /nfs/dbraw/zinc/28/32/50/590283250.db2.gz SHRWNACKZIIHFI-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880258287 590379905 /nfs/dbraw/zinc/37/99/05/590379905.db2.gz FBIVKRFGHDHRLJ-HNAYVOBHSA-N 1 3 340.427 0.965 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000876761433 590411032 /nfs/dbraw/zinc/41/10/32/590411032.db2.gz WVZJPALDPUJOOX-HOTGVXAUSA-N 1 3 346.475 0.968 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cccc(S(N)(=O)=O)c1 ZINC000877623749 590474741 /nfs/dbraw/zinc/47/47/41/590474741.db2.gz ZIZMCEHGQXCEIP-AWEZNQCLSA-N 1 3 342.509 0.696 20 0 ECADHO O=C1COC[C@]2(C[NH2+]C3CCN(c4ccncc4)CC3)COCCN12 ZINC000877733326 590479942 /nfs/dbraw/zinc/47/99/42/590479942.db2.gz SORHVQXQZSJUGF-SFHVURJKSA-N 1 3 346.431 0.268 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCN1c1ccncc1 ZINC000883638854 590636959 /nfs/dbraw/zinc/63/69/59/590636959.db2.gz YLBDHENCMZACGR-AWEZNQCLSA-N 1 3 347.463 0.562 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCN1c1ccncc1 ZINC000883639814 590637590 /nfs/dbraw/zinc/63/75/90/590637590.db2.gz ZHOMGFKKQHNRAC-UKRRQHHQSA-N 1 3 331.420 0.068 20 0 ECADHO COCCN(C)CCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884127974 590749132 /nfs/dbraw/zinc/74/91/32/590749132.db2.gz RBHMOKALPBFYNA-OAHLLOKOSA-N 1 3 335.452 0.880 20 0 ECADHO CN(C(=O)c1ccnc(N2CC[NH2+]CC2)c1)[C@H]1CCN(C2CC2)C1 ZINC000884213119 590776768 /nfs/dbraw/zinc/77/67/68/590776768.db2.gz UKUFSULDMAOXRK-INIZCTEOSA-N 1 3 329.448 0.800 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccnc(N3CCNCC3)c2)CC1 ZINC000884289800 590798238 /nfs/dbraw/zinc/79/82/38/590798238.db2.gz KEQJCLJNKVXXOO-SHTZXODSSA-N 1 3 331.464 0.986 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884314423 590802773 /nfs/dbraw/zinc/80/27/73/590802773.db2.gz JDZYAJLVIWYZSG-GOEBONIOSA-N 1 3 331.464 0.903 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884314423 590802777 /nfs/dbraw/zinc/80/27/77/590802777.db2.gz JDZYAJLVIWYZSG-GOEBONIOSA-N 1 3 331.464 0.903 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884503823 590845635 /nfs/dbraw/zinc/84/56/35/590845635.db2.gz UUBRPOXARCUXPP-BZUAXINKSA-N 1 3 338.496 0.810 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)C1CC1 ZINC000884601430 590867754 /nfs/dbraw/zinc/86/77/54/590867754.db2.gz LMXYIQOSKNVNOC-INIZCTEOSA-N 1 3 344.459 0.418 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)C1CC1 ZINC000884601430 590867758 /nfs/dbraw/zinc/86/77/58/590867758.db2.gz LMXYIQOSKNVNOC-INIZCTEOSA-N 1 3 344.459 0.418 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCNCCC12CCC2)C(C)(C)C[NH+](C)C ZINC000884607712 590870305 /nfs/dbraw/zinc/87/03/05/590870305.db2.gz DFXLAWDGWQBQON-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000884612199 590871712 /nfs/dbraw/zinc/87/17/12/590871712.db2.gz HAIVFKFGNFARLI-MRXNPFEDSA-N 1 3 342.509 0.270 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000884612033 590871868 /nfs/dbraw/zinc/87/18/68/590871868.db2.gz BHZVVJCZYHHYHT-CJNGLKHVSA-N 1 3 342.509 0.140 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000884612198 590871937 /nfs/dbraw/zinc/87/19/37/590871937.db2.gz HAIVFKFGNFARLI-INIZCTEOSA-N 1 3 342.509 0.270 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)N(C)C1CC1 ZINC000884617080 590872421 /nfs/dbraw/zinc/87/24/21/590872421.db2.gz HIBQOAFEZIGALV-UGSOOPFHSA-N 1 3 338.496 0.809 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884650224 590883588 /nfs/dbraw/zinc/88/35/88/590883588.db2.gz BWXHPGBKPRDXME-KRWDZBQOSA-N 1 3 326.485 0.668 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884664091 590885555 /nfs/dbraw/zinc/88/55/55/590885555.db2.gz COGFGGCUAAOWBP-PMUMKWKESA-N 1 3 336.480 0.291 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000884664009 590885896 /nfs/dbraw/zinc/88/58/96/590885896.db2.gz AMZQRDLBUWCROV-CQSZACIVSA-N 1 3 338.496 0.953 20 0 ECADHO NCCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884672829 590888388 /nfs/dbraw/zinc/88/83/88/590888388.db2.gz DZGSSMZPDTUVIX-JKSUJKDBSA-N 1 3 330.432 0.042 20 0 ECADHO NCCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884672829 590888390 /nfs/dbraw/zinc/88/83/90/590888390.db2.gz DZGSSMZPDTUVIX-JKSUJKDBSA-N 1 3 330.432 0.042 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCN1c1ccncc1 ZINC000884683126 590892869 /nfs/dbraw/zinc/89/28/69/590892869.db2.gz VRMFRUXCSXFKNH-CABCVRRESA-N 1 3 345.447 0.377 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCN1c1ccncc1 ZINC000884685280 590893170 /nfs/dbraw/zinc/89/31/70/590893170.db2.gz CNVZRBIVUTWQIV-ILXRZTDVSA-N 1 3 345.447 0.505 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@@H](COC)[C@@H]2CCCOC2)CC1 ZINC000886903514 590905361 /nfs/dbraw/zinc/90/53/61/590905361.db2.gz AHRYDWYGGFFLED-ZBFHGGJFSA-N 1 3 327.469 0.618 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)CC[NH2+]1 ZINC000884718321 590906970 /nfs/dbraw/zinc/90/69/70/590906970.db2.gz ATIQEHLAEUJPGB-QLFBSQMISA-N 1 3 345.447 0.375 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884720922 590908554 /nfs/dbraw/zinc/90/85/54/590908554.db2.gz WSOOEWLHHHDMTA-IJEWVQPXSA-N 1 3 345.447 0.233 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCCCCCC[NH3+] ZINC000884731898 590913455 /nfs/dbraw/zinc/91/34/55/590913455.db2.gz HJDRTDQNASQDCM-OAHLLOKOSA-N 1 3 347.463 0.754 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884741280 590914626 /nfs/dbraw/zinc/91/46/26/590914626.db2.gz LXYZHYPHYVMLIV-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884741280 590914630 /nfs/dbraw/zinc/91/46/30/590914630.db2.gz LXYZHYPHYVMLIV-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884775868 590918919 /nfs/dbraw/zinc/91/89/19/590918919.db2.gz KOVBVALNGGVTNK-HOTGVXAUSA-N 1 3 348.491 0.864 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000884786800 590923449 /nfs/dbraw/zinc/92/34/49/590923449.db2.gz VXYOVGOWDMQWPT-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CCN ZINC000884834586 590931306 /nfs/dbraw/zinc/93/13/06/590931306.db2.gz ZJGFWWJMRJNBRQ-GDBMZVCRSA-N 1 3 332.448 0.288 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CCN ZINC000884834586 590931309 /nfs/dbraw/zinc/93/13/09/590931309.db2.gz ZJGFWWJMRJNBRQ-GDBMZVCRSA-N 1 3 332.448 0.288 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884838510 590932454 /nfs/dbraw/zinc/93/24/54/590932454.db2.gz KPZRFTTWQNLVOI-INIZCTEOSA-N 1 3 344.459 0.501 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000889032437 591038216 /nfs/dbraw/zinc/03/82/16/591038216.db2.gz HDACHJMHEJAAAD-CABCVRRESA-N 1 3 339.484 0.622 20 0 ECADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000889032437 591038221 /nfs/dbraw/zinc/03/82/21/591038221.db2.gz HDACHJMHEJAAAD-CABCVRRESA-N 1 3 339.484 0.622 20 0 ECADHO CN(CCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1cc[nH+]cc1 ZINC000889760204 591084904 /nfs/dbraw/zinc/08/49/04/591084904.db2.gz CKSMGNQDNRHMFH-IAGOWNOFSA-N 1 3 332.448 0.966 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000929990458 611376948 /nfs/dbraw/zinc/37/69/48/611376948.db2.gz AMORRYNLQBXGBP-OAHLLOKOSA-N 1 3 336.480 0.435 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000929990458 611376952 /nfs/dbraw/zinc/37/69/52/611376952.db2.gz AMORRYNLQBXGBP-OAHLLOKOSA-N 1 3 336.480 0.435 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925343628 611472352 /nfs/dbraw/zinc/47/23/52/611472352.db2.gz WNKPODYMUHVUOV-CABCVRRESA-N 1 3 325.501 0.794 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925343628 611472353 /nfs/dbraw/zinc/47/23/53/611472353.db2.gz WNKPODYMUHVUOV-CABCVRRESA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779346 611472459 /nfs/dbraw/zinc/47/24/59/611472459.db2.gz NPNALYFXDOLXPE-FPCVCCKLSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779346 611472461 /nfs/dbraw/zinc/47/24/61/611472461.db2.gz NPNALYFXDOLXPE-FPCVCCKLSA-N 1 3 336.480 0.515 20 0 ECADHO CC1(C)[C@@H](N[C@H]2CCN(CCN3CCOCC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925498758 611485776 /nfs/dbraw/zinc/48/57/76/611485776.db2.gz SDTNBXUAMMLOFQ-MHORFTMASA-N 1 3 336.524 0.759 20 0 ECADHO N[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)C12CCC2 ZINC000925544674 611486546 /nfs/dbraw/zinc/48/65/46/611486546.db2.gz UKFDLEKAODRDCD-JKSUJKDBSA-N 1 3 343.475 0.980 20 0 ECADHO c1cnc(N2CCN(CCCN[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)nc1 ZINC000925537214 611486719 /nfs/dbraw/zinc/48/67/19/611486719.db2.gz VBIBFTDOUNIBEP-NNPSNHGLSA-N 1 3 342.491 0.575 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946801043 611490970 /nfs/dbraw/zinc/49/09/70/611490970.db2.gz XEEZKBFIADMEQC-GUTXKFCHSA-N 1 3 333.436 0.387 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946801043 611490971 /nfs/dbraw/zinc/49/09/71/611490971.db2.gz XEEZKBFIADMEQC-GUTXKFCHSA-N 1 3 333.436 0.387 20 0 ECADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1nnc2c(=O)n(C)ccn12 ZINC000925773054 611499478 /nfs/dbraw/zinc/49/94/78/611499478.db2.gz LUHNTDFYUGMNBM-UONOGXRCSA-N 1 3 332.452 0.871 20 0 ECADHO C[NH+](C)CC1(O)CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000931484318 611545145 /nfs/dbraw/zinc/54/51/45/611545145.db2.gz MMNPZHJYSBOYPH-UHFFFAOYSA-N 1 3 348.447 0.503 20 0 ECADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC([NH2+]C1[C@@H]3CC[C@H]1CN(C)C3)C2 ZINC000926413105 611548646 /nfs/dbraw/zinc/54/86/46/611548646.db2.gz YFQGENKLTAIJRQ-RONUJDBISA-N 1 3 334.508 1.000 20 0 ECADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000926753236 611567159 /nfs/dbraw/zinc/56/71/59/611567159.db2.gz LZEKEGHKNSIJSD-QYCFJQJSSA-N 1 3 327.436 0.633 20 0 ECADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000926753236 611567160 /nfs/dbraw/zinc/56/71/60/611567160.db2.gz LZEKEGHKNSIJSD-QYCFJQJSSA-N 1 3 327.436 0.633 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)CC[C@@H]21 ZINC000927628542 611620477 /nfs/dbraw/zinc/62/04/77/611620477.db2.gz CIMBWPPPAVLUNM-OIISXLGYSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)CC[C@@H]21 ZINC000927628542 611620478 /nfs/dbraw/zinc/62/04/78/611620478.db2.gz CIMBWPPPAVLUNM-OIISXLGYSA-N 1 3 336.480 0.975 20 0 ECADHO CCN(C)C[C@H](O)C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934752339 608857483 /nfs/dbraw/zinc/85/74/83/608857483.db2.gz OADYESFFJQRCFG-NYHFZMIOSA-N 1 3 334.530 0.585 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000938321116 609734623 /nfs/dbraw/zinc/73/46/23/609734623.db2.gz REEJSRLCPDCCQG-CABCVRRESA-N 1 3 334.464 0.141 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000910732286 609754095 /nfs/dbraw/zinc/75/40/95/609754095.db2.gz YDGIHHDIVPZBNU-CQSZACIVSA-N 1 3 326.485 0.585 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+])N1CCCCC1 ZINC000910947378 609785375 /nfs/dbraw/zinc/78/53/75/609785375.db2.gz WVKSZOPWJUVFLG-VKJFTORMSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(Cc2ccncc2OCCC[NH+](C)C)C1=O ZINC000925376102 609790584 /nfs/dbraw/zinc/79/05/84/609790584.db2.gz KCBWNUBAPMUOAZ-AWEZNQCLSA-N 1 3 349.435 0.394 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000911162120 609817858 /nfs/dbraw/zinc/81/78/58/609817858.db2.gz PEGAONGSPONBKH-OAHLLOKOSA-N 1 3 330.432 0.547 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911188870 609820648 /nfs/dbraw/zinc/82/06/48/609820648.db2.gz XRJRVMUZCWIELO-DAXOMENPSA-N 1 3 332.448 0.574 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911188870 609820650 /nfs/dbraw/zinc/82/06/50/609820650.db2.gz XRJRVMUZCWIELO-DAXOMENPSA-N 1 3 332.448 0.574 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C1CC1 ZINC000911188759 609820754 /nfs/dbraw/zinc/82/07/54/609820754.db2.gz WPNOKAUDKYRVOF-HZPDHXFCSA-N 1 3 330.432 0.328 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C1CC1 ZINC000911188759 609820757 /nfs/dbraw/zinc/82/07/57/609820757.db2.gz WPNOKAUDKYRVOF-HZPDHXFCSA-N 1 3 330.432 0.328 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911256807 609837323 /nfs/dbraw/zinc/83/73/23/609837323.db2.gz BNTIQNWMTRNSJA-GLJUWKHASA-N 1 3 336.480 0.563 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1cccnc1 ZINC000928833699 611714955 /nfs/dbraw/zinc/71/49/55/611714955.db2.gz FLRZHVTTZDOKLS-IRXDYDNUSA-N 1 3 331.464 0.581 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000911325143 609848095 /nfs/dbraw/zinc/84/80/95/609848095.db2.gz PGACYGCYXSZKHT-ARFHVFGLSA-N 1 3 336.480 0.720 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000911313127 609851760 /nfs/dbraw/zinc/85/17/60/609851760.db2.gz CFULRMKAYLYLFV-RRFJBIMHSA-N 1 3 336.480 0.339 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC000911731562 609909555 /nfs/dbraw/zinc/90/95/55/609909555.db2.gz VNWHWSGNTVNXMO-CQSZACIVSA-N 1 3 346.431 0.096 20 0 ECADHO CN1CC[C@@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000915543113 609915793 /nfs/dbraw/zinc/91/57/93/609915793.db2.gz UFGGEVLOIPUKMW-QGZVFWFLSA-N 1 3 346.479 0.597 20 0 ECADHO CCO[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C[NH+](C)C ZINC000916841660 609951040 /nfs/dbraw/zinc/95/10/40/609951040.db2.gz GVGXCAMOKSXFSS-RBSFLKMASA-N 1 3 328.457 0.116 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000912460123 609958844 /nfs/dbraw/zinc/95/88/44/609958844.db2.gz BWDBGIFXVLRBOO-HNNXBMFYSA-N 1 3 326.485 0.587 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000912460123 609958845 /nfs/dbraw/zinc/95/88/45/609958845.db2.gz BWDBGIFXVLRBOO-HNNXBMFYSA-N 1 3 326.485 0.587 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000912732714 609997615 /nfs/dbraw/zinc/99/76/15/609997615.db2.gz FYUMCNVMANEQSJ-OAHLLOKOSA-N 1 3 337.468 0.628 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000938917997 610044425 /nfs/dbraw/zinc/04/44/25/610044425.db2.gz MPOBPXCMUAYFHW-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)C(=O)CN3CCCC3)C2)C1 ZINC000939701826 610093154 /nfs/dbraw/zinc/09/31/54/610093154.db2.gz YPMXOBPALBDHOE-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)C(=O)CN3CCCC3)C2)C1 ZINC000939701826 610093155 /nfs/dbraw/zinc/09/31/55/610093155.db2.gz YPMXOBPALBDHOE-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CCC1 ZINC000940616991 610319939 /nfs/dbraw/zinc/31/99/39/610319939.db2.gz OAZAKKWEUTWNJG-NVXWUHKLSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000940842518 610396284 /nfs/dbraw/zinc/39/62/84/610396284.db2.gz IPXONLZEWPWVDV-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000940842518 610396286 /nfs/dbraw/zinc/39/62/86/610396286.db2.gz IPXONLZEWPWVDV-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C(=O)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842518 610396289 /nfs/dbraw/zinc/39/62/89/610396289.db2.gz IPXONLZEWPWVDV-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C(=O)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842518 610396292 /nfs/dbraw/zinc/39/62/92/610396292.db2.gz IPXONLZEWPWVDV-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO O=C(N1CCN(C2CN(CCC3CC3)C2)CC1)C12CC[NH+](CC1)C2 ZINC000941641162 610435267 /nfs/dbraw/zinc/43/52/67/610435267.db2.gz WSUISHUUIFTTHG-UHFFFAOYSA-N 1 3 332.492 0.711 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000941929753 610567630 /nfs/dbraw/zinc/56/76/30/610567630.db2.gz AWIMZKAYIZJWMJ-UONOGXRCSA-N 1 3 333.436 0.320 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000941929753 610567633 /nfs/dbraw/zinc/56/76/33/610567633.db2.gz AWIMZKAYIZJWMJ-UONOGXRCSA-N 1 3 333.436 0.320 20 0 ECADHO CC(C)(C(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1)[NH+]1CCCC1 ZINC000941994780 610603873 /nfs/dbraw/zinc/60/38/73/610603873.db2.gz MWBQVZNOPWIYLH-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1CN(CCn2cncn2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942257098 610713650 /nfs/dbraw/zinc/71/36/50/610713650.db2.gz JBLSBRNUTNGKHG-HOTGVXAUSA-N 1 3 346.479 0.733 20 0 ECADHO C[C@H]1CN(CCn2cncn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171145 610764605 /nfs/dbraw/zinc/76/46/05/610764605.db2.gz WVEAQIJALACQTE-GJZGRUSLSA-N 1 3 332.452 0.201 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000943411031 610828585 /nfs/dbraw/zinc/82/85/85/610828585.db2.gz PIDXQQGEIYXPML-HUUCEWRRSA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000943411031 610828587 /nfs/dbraw/zinc/82/85/87/610828587.db2.gz PIDXQQGEIYXPML-HUUCEWRRSA-N 1 3 347.463 0.710 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H](O)COc1ccccc1 ZINC000923345027 611232228 /nfs/dbraw/zinc/23/22/28/611232228.db2.gz JYEICCUKIQYWPI-CVEARBPZSA-N 1 3 335.448 0.746 20 0 ECADHO CCOc1ccnc(N2CCCN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923390307 611236151 /nfs/dbraw/zinc/23/61/51/611236151.db2.gz WYAIEORWANXXJK-HNNXBMFYSA-N 1 3 347.463 0.766 20 0 ECADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000923491843 611251332 /nfs/dbraw/zinc/25/13/32/611251332.db2.gz NAYDJWTUTQXGMN-CQSZACIVSA-N 1 3 344.459 0.866 20 0 ECADHO C[C@@H]1CN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923501809 611252461 /nfs/dbraw/zinc/25/24/61/611252461.db2.gz WAJYLVSYOAPSNY-NVXWUHKLSA-N 1 3 346.475 0.807 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000851667332 611322896 /nfs/dbraw/zinc/32/28/96/611322896.db2.gz MDEQGZOTIRBFIS-OLZOCXBDSA-N 1 3 332.395 0.536 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000929399106 611750830 /nfs/dbraw/zinc/75/08/30/611750830.db2.gz DPBFTXKSDHJECI-RLFYNMQTSA-N 1 3 336.480 0.245 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000929399106 611750831 /nfs/dbraw/zinc/75/08/31/611750831.db2.gz DPBFTXKSDHJECI-RLFYNMQTSA-N 1 3 336.480 0.245 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933845482 611752882 /nfs/dbraw/zinc/75/28/82/611752882.db2.gz FJBHPQIKXAIOAU-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933845482 611752884 /nfs/dbraw/zinc/75/28/84/611752884.db2.gz FJBHPQIKXAIOAU-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000933850180 611753572 /nfs/dbraw/zinc/75/35/72/611753572.db2.gz LOWLFGLFRBYSKP-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949189519 611894293 /nfs/dbraw/zinc/89/42/93/611894293.db2.gz XUZFPTDYPZZGAE-HNNXBMFYSA-N 1 3 325.453 0.156 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000950420555 612013063 /nfs/dbraw/zinc/01/30/63/612013063.db2.gz WJOYZSLINOJCQQ-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC000949515865 612017630 /nfs/dbraw/zinc/01/76/30/612017630.db2.gz DSOQSOWOMXLSMA-XKVFNRALSA-N 1 3 347.463 0.564 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC000949515865 612017632 /nfs/dbraw/zinc/01/76/32/612017632.db2.gz DSOQSOWOMXLSMA-XKVFNRALSA-N 1 3 347.463 0.564 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000951238971 612097222 /nfs/dbraw/zinc/09/72/22/612097222.db2.gz QVJFGYQQAZRKMW-MRXNPFEDSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000951239424 612097923 /nfs/dbraw/zinc/09/79/23/612097923.db2.gz VXGPPMLUXBNURY-GJZGRUSLSA-N 1 3 334.464 0.140 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000951426022 612225606 /nfs/dbraw/zinc/22/56/06/612225606.db2.gz KHOZKTNKNZVHEF-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000953903115 612415376 /nfs/dbraw/zinc/41/53/76/612415376.db2.gz OYECPGBSJVCNPV-HOTGVXAUSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000953905370 612421047 /nfs/dbraw/zinc/42/10/47/612421047.db2.gz YDJATDNDQISIMP-DZKIICNBSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC000953905370 612421051 /nfs/dbraw/zinc/42/10/51/612421051.db2.gz YDJATDNDQISIMP-DZKIICNBSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000955340184 612461041 /nfs/dbraw/zinc/46/10/41/612461041.db2.gz NQVVUQJBJCBTIS-CQSZACIVSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000955340184 612461044 /nfs/dbraw/zinc/46/10/44/612461044.db2.gz NQVVUQJBJCBTIS-CQSZACIVSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000955340581 612461984 /nfs/dbraw/zinc/46/19/84/612461984.db2.gz JYKTYNBVZSMCQU-GUYCJALGSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000955340581 612461986 /nfs/dbraw/zinc/46/19/86/612461986.db2.gz JYKTYNBVZSMCQU-GUYCJALGSA-N 1 3 336.480 0.338 20 0 ECADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000953949487 612480351 /nfs/dbraw/zinc/48/03/51/612480351.db2.gz GFGXMWDEAILBQS-ZDUSSCGKSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000953949487 612480354 /nfs/dbraw/zinc/48/03/54/612480354.db2.gz GFGXMWDEAILBQS-ZDUSSCGKSA-N 1 3 333.436 0.353 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000954824211 612716533 /nfs/dbraw/zinc/71/65/33/612716533.db2.gz FJWNIINLVZXPGL-OAHLLOKOSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954835977 612729978 /nfs/dbraw/zinc/72/99/78/612729978.db2.gz BTEHYGXFPKJNLS-HIFRSBDPSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000954843550 612738038 /nfs/dbraw/zinc/73/80/38/612738038.db2.gz WHTGSMLRORVXOO-AWEZNQCLSA-N 1 3 334.464 0.093 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000956254890 612802837 /nfs/dbraw/zinc/80/28/37/612802837.db2.gz KGLYMGWMVSVXOV-HNNXBMFYSA-N 1 3 333.436 0.401 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000956374888 612861771 /nfs/dbraw/zinc/86/17/71/612861771.db2.gz JRKXHAVNZSMJFZ-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000956374888 612861772 /nfs/dbraw/zinc/86/17/72/612861772.db2.gz JRKXHAVNZSMJFZ-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(N)ncn4)C3)O2)CC1 ZINC001164896159 721431032 /nfs/dbraw/zinc/43/10/32/721431032.db2.gz QSMMLEMDZVMXJR-MAUKXSAKSA-N 1 3 346.479 0.824 20 0 ECADHO CN([C@@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971873025 735291636 /nfs/dbraw/zinc/29/16/36/735291636.db2.gz SVMRCUHCBMRBEK-GOEBONIOSA-N 1 3 341.415 0.711 20 0 ECADHO O=C(N1CCCC[C@H]1CN[C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001024999151 738479563 /nfs/dbraw/zinc/47/95/63/738479563.db2.gz SMSXSGRXFHFHLL-HOTGVXAUSA-N 1 3 348.491 0.722 20 0 ECADHO O=C(C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1)N1CCC1 ZINC000969135630 731517683 /nfs/dbraw/zinc/51/76/83/731517683.db2.gz CYXWUPZMQWXLHY-OAHLLOKOSA-N 1 3 346.431 0.994 20 0 ECADHO O=C(C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1)N1CCC1 ZINC000969135630 731517684 /nfs/dbraw/zinc/51/76/84/731517684.db2.gz CYXWUPZMQWXLHY-OAHLLOKOSA-N 1 3 346.431 0.994 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000969429949 731865046 /nfs/dbraw/zinc/86/50/46/731865046.db2.gz QXSUMFOPHWQGHK-OWCLPIDISA-N 1 3 348.491 0.624 20 0 ECADHO CN1CC[C@H](NC[C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1=O ZINC001025067105 738591577 /nfs/dbraw/zinc/59/15/77/738591577.db2.gz KWDICKNFFJOAES-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC000969844287 732434145 /nfs/dbraw/zinc/43/41/45/732434145.db2.gz HPETUAKTCPETTD-IJEWVQPXSA-N 1 3 334.468 0.542 20 0 ECADHO C[C@H](N[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1)C(N)=O ZINC000969965120 732563591 /nfs/dbraw/zinc/56/35/91/732563591.db2.gz LVYSYLHXNVPSQI-XJKSGUPXSA-N 1 3 332.448 0.469 20 0 ECADHO CCn1cc(CCN2CC([C@@H](C)NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000970746679 733903388 /nfs/dbraw/zinc/90/33/88/733903388.db2.gz MQMWWQOPRMFBNZ-OAHLLOKOSA-N 1 3 345.491 0.978 20 0 ECADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC000970788567 733941060 /nfs/dbraw/zinc/94/10/60/733941060.db2.gz PNFPRQCZFRHGNM-GDBMZVCRSA-N 1 3 332.448 0.816 20 0 ECADHO CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001104294312 734016966 /nfs/dbraw/zinc/01/69/66/734016966.db2.gz JAZATIKCOPWFMK-FMKPAKJESA-N 1 3 338.496 0.809 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001067477640 734289097 /nfs/dbraw/zinc/28/90/97/734289097.db2.gz HGUJUWSPMHGKTG-HZPDHXFCSA-N 1 3 340.512 0.833 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001067477640 734289100 /nfs/dbraw/zinc/28/91/00/734289100.db2.gz HGUJUWSPMHGKTG-HZPDHXFCSA-N 1 3 340.512 0.833 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000971205014 734361107 /nfs/dbraw/zinc/36/11/07/734361107.db2.gz RRILJMCIZVTLPA-CVEARBPZSA-N 1 3 332.448 0.512 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000971205014 734361110 /nfs/dbraw/zinc/36/11/10/734361110.db2.gz RRILJMCIZVTLPA-CVEARBPZSA-N 1 3 332.448 0.512 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971544032 734737658 /nfs/dbraw/zinc/73/76/58/734737658.db2.gz VXZHSEGHUFWZOR-JKSUJKDBSA-N 1 3 332.452 0.153 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000971640361 734864099 /nfs/dbraw/zinc/86/40/99/734864099.db2.gz DZMVXDRBENPMMN-CVEARBPZSA-N 1 3 334.468 0.685 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000971640361 734864102 /nfs/dbraw/zinc/86/41/02/734864102.db2.gz DZMVXDRBENPMMN-CVEARBPZSA-N 1 3 334.468 0.685 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000971782263 735044281 /nfs/dbraw/zinc/04/42/81/735044281.db2.gz RDSXZSGRUVOBOR-HZPDHXFCSA-N 1 3 334.464 0.758 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000971782263 735044283 /nfs/dbraw/zinc/04/42/83/735044283.db2.gz RDSXZSGRUVOBOR-HZPDHXFCSA-N 1 3 334.464 0.758 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1 ZINC000972330327 735955237 /nfs/dbraw/zinc/95/52/37/735955237.db2.gz DYXNSRSIOHZWDC-WBVHZDCISA-N 1 3 333.480 0.980 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC000972330327 735955240 /nfs/dbraw/zinc/95/52/40/735955240.db2.gz DYXNSRSIOHZWDC-WBVHZDCISA-N 1 3 333.480 0.980 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000972330780 735956122 /nfs/dbraw/zinc/95/61/22/735956122.db2.gz HEATWWXUPHWFDG-NVXWUHKLSA-N 1 3 346.475 0.902 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000972330780 735956124 /nfs/dbraw/zinc/95/61/24/735956124.db2.gz HEATWWXUPHWFDG-NVXWUHKLSA-N 1 3 346.475 0.902 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC000972334912 735960896 /nfs/dbraw/zinc/96/08/96/735960896.db2.gz LBWLHJQKEUYYDN-YOEHRIQHSA-N 1 3 348.495 0.769 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC000972334912 735960898 /nfs/dbraw/zinc/96/08/98/735960898.db2.gz LBWLHJQKEUYYDN-YOEHRIQHSA-N 1 3 348.495 0.769 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001167627029 736152492 /nfs/dbraw/zinc/15/24/92/736152492.db2.gz JAIHSRYEFGTWNV-HOTGVXAUSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001167636705 736189478 /nfs/dbraw/zinc/18/94/78/736189478.db2.gz YQLFPKRRDGKOLD-LSDHHAIUSA-N 1 3 326.485 0.822 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)c1 ZINC001023126138 736521613 /nfs/dbraw/zinc/52/16/13/736521613.db2.gz JRRRYQVSDUEUBV-IXDOHACOSA-N 1 3 344.459 0.829 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001023890370 737465037 /nfs/dbraw/zinc/46/50/37/737465037.db2.gz YGTBZXFSMSRDLF-ZBFHGGJFSA-N 1 3 334.468 0.720 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC000972741820 737583733 /nfs/dbraw/zinc/58/37/33/737583733.db2.gz FGWQBTWIWPOSPX-CZUORRHYSA-N 1 3 345.447 0.525 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC000972741820 737583734 /nfs/dbraw/zinc/58/37/34/737583734.db2.gz FGWQBTWIWPOSPX-CZUORRHYSA-N 1 3 345.447 0.525 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000973461802 739332562 /nfs/dbraw/zinc/33/25/62/739332562.db2.gz NSUJKKALKDIASY-JYJNAYRXSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104676441 739457512 /nfs/dbraw/zinc/45/75/12/739457512.db2.gz KHAOGJRHJRJDMX-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cncn3)C2)C1 ZINC001104681267 739469973 /nfs/dbraw/zinc/46/99/73/739469973.db2.gz HHZCHBOYEXBQJQ-BRWVUGGUSA-N 1 3 348.495 0.694 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3cncc3c2)C1 ZINC001025472440 739629754 /nfs/dbraw/zinc/62/97/54/739629754.db2.gz QGIFQWUUMFENQG-UKRRQHHQSA-N 1 3 343.431 0.911 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3cncc3c2)C1 ZINC001025472440 739629755 /nfs/dbraw/zinc/62/97/55/739629755.db2.gz QGIFQWUUMFENQG-UKRRQHHQSA-N 1 3 343.431 0.911 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001025809058 739977010 /nfs/dbraw/zinc/97/70/10/739977010.db2.gz WHGHSKMMOMPRJL-XFIYOXNOSA-N 1 3 334.464 0.138 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001025809058 739977016 /nfs/dbraw/zinc/97/70/16/739977016.db2.gz WHGHSKMMOMPRJL-XFIYOXNOSA-N 1 3 334.464 0.138 20 0 ECADHO Cc1cc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001026045310 740332197 /nfs/dbraw/zinc/33/21/97/740332197.db2.gz YJOSJGUNZHFSEV-VDMKFOLZSA-N 1 3 345.491 0.744 20 0 ECADHO Cc1cc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001026045310 740332203 /nfs/dbraw/zinc/33/22/03/740332203.db2.gz YJOSJGUNZHFSEV-VDMKFOLZSA-N 1 3 345.491 0.744 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026043491 740335553 /nfs/dbraw/zinc/33/55/53/740335553.db2.gz CANOZYQOKXDUOM-POORBHPNSA-N 1 3 348.491 0.291 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026043491 740335556 /nfs/dbraw/zinc/33/55/56/740335556.db2.gz CANOZYQOKXDUOM-POORBHPNSA-N 1 3 348.491 0.291 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026043614 740336367 /nfs/dbraw/zinc/33/63/67/740336367.db2.gz TXAGUUAYRHSWBQ-LSPIHWNJSA-N 1 3 344.463 0.154 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026043614 740336373 /nfs/dbraw/zinc/33/63/73/740336373.db2.gz TXAGUUAYRHSWBQ-LSPIHWNJSA-N 1 3 344.463 0.154 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001026149106 740424154 /nfs/dbraw/zinc/42/41/54/740424154.db2.gz PBRNJUJQMCAZJL-LFPSSSAGSA-N 1 3 332.452 0.197 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001026149106 740424156 /nfs/dbraw/zinc/42/41/56/740424156.db2.gz PBRNJUJQMCAZJL-LFPSSSAGSA-N 1 3 332.452 0.197 20 0 ECADHO C[C@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC2(CC[NH+](CCO)CC2)O1 ZINC001098607129 740440347 /nfs/dbraw/zinc/44/03/47/740440347.db2.gz YWMGWZLSOYIUQE-GOEBONIOSA-N 1 3 339.480 0.401 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104810038 740543704 /nfs/dbraw/zinc/54/37/04/740543704.db2.gz XGSWQWDYKWHFQY-HUUCEWRRSA-N 1 3 347.525 0.447 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCn4cncn4)[C@H]3C2)CCC1 ZINC001026281616 740733405 /nfs/dbraw/zinc/73/34/05/740733405.db2.gz GMFFIWMPKRFGJU-HRCADAONSA-N 1 3 346.479 0.589 20 0 ECADHO Cc1ncc(CNCC2(CCNC(=O)COCC[NH+](C)C)CC2)o1 ZINC001167737580 740922877 /nfs/dbraw/zinc/92/28/77/740922877.db2.gz WKRFJFMMOIIVQN-UHFFFAOYSA-N 1 3 338.452 0.937 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000974148239 741006923 /nfs/dbraw/zinc/00/69/23/741006923.db2.gz OQHONFYMCULAOT-CAOSSQGBSA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000974148239 741006927 /nfs/dbraw/zinc/00/69/27/741006927.db2.gz OQHONFYMCULAOT-CAOSSQGBSA-N 1 3 336.480 0.576 20 0 ECADHO Cn1cncc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]12 ZINC001026364083 741060780 /nfs/dbraw/zinc/06/07/80/741060780.db2.gz CAFGRUXIJWIFBF-DAXOMENPSA-N 1 3 328.420 0.713 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000974327274 741327561 /nfs/dbraw/zinc/32/75/61/741327561.db2.gz SFEVLFKPUJJUBV-FPCVCCKLSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000974327274 741327565 /nfs/dbraw/zinc/32/75/65/741327565.db2.gz SFEVLFKPUJJUBV-FPCVCCKLSA-N 1 3 336.480 0.576 20 0 ECADHO Cn1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)CN4CCCC4)C[C@@H]32)n1 ZINC001026421365 741337639 /nfs/dbraw/zinc/33/76/39/741337639.db2.gz SCOKGVPMNXVHFC-BHYGNILZSA-N 1 3 331.464 0.843 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000974348766 741366398 /nfs/dbraw/zinc/36/63/98/741366398.db2.gz CYMIAGGVTLPNEY-CYUUQNCZSA-N 1 3 347.463 0.754 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000974348766 741366402 /nfs/dbraw/zinc/36/64/02/741366402.db2.gz CYMIAGGVTLPNEY-CYUUQNCZSA-N 1 3 347.463 0.754 20 0 ECADHO O=C(NC1CCC([NH2+]CCF)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001026531152 741519400 /nfs/dbraw/zinc/51/94/00/741519400.db2.gz VGHNBIULFIVYPU-RDVIWEACSA-N 1 3 325.428 0.836 20 0 ECADHO Cn1cc(CCN2CCCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)cn1 ZINC000982148698 751650545 /nfs/dbraw/zinc/65/05/45/751650545.db2.gz SGYWRZMBONYPNS-KRWDZBQOSA-N 1 3 345.491 0.839 20 0 ECADHO Cn1cc(CCN2CCCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)cn1 ZINC000982148698 751650549 /nfs/dbraw/zinc/65/05/49/751650549.db2.gz SGYWRZMBONYPNS-KRWDZBQOSA-N 1 3 345.491 0.839 20 0 ECADHO CC(C)C[NH2+]Cc1cn(C2CN(C(=O)CN(C)C3CCC3)C2)nn1 ZINC001105259789 741586471 /nfs/dbraw/zinc/58/64/71/741586471.db2.gz MTNKDRYZEFFFSY-UHFFFAOYSA-N 1 3 334.468 0.891 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001026734619 741740114 /nfs/dbraw/zinc/74/01/14/741740114.db2.gz QPMIORGHKNFNGB-ZFWWWQNUSA-N 1 3 333.436 0.518 20 0 ECADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](CNCc2cnns2)C1 ZINC001026846836 741953665 /nfs/dbraw/zinc/95/36/65/741953665.db2.gz FGLVTPMCVAEEID-IUODEOHRSA-N 1 3 335.477 0.818 20 0 ECADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000893392474 742017335 /nfs/dbraw/zinc/01/73/35/742017335.db2.gz IKQIVKQRMQTAIF-HIFRSBDPSA-N 1 3 341.477 0.935 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001026887679 742044339 /nfs/dbraw/zinc/04/43/39/742044339.db2.gz TUEMSHNXOILHMK-PBHICJAKSA-N 1 3 348.495 0.885 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027042744 742356386 /nfs/dbraw/zinc/35/63/86/742356386.db2.gz MPANYLBHECYBDB-GDBMZVCRSA-N 1 3 336.484 0.822 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cscn3)C2)C1 ZINC001020506892 751722826 /nfs/dbraw/zinc/72/28/26/751722826.db2.gz DPKKYTOCRASIMW-YDHLFZDLSA-N 1 3 338.477 0.989 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000975291497 742694490 /nfs/dbraw/zinc/69/44/90/742694490.db2.gz HTJVEVLSOYPGKI-UONOGXRCSA-N 1 3 333.436 0.259 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000975291497 742694491 /nfs/dbraw/zinc/69/44/91/742694491.db2.gz HTJVEVLSOYPGKI-UONOGXRCSA-N 1 3 333.436 0.259 20 0 ECADHO CC(C)N1CC[C@H](N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028930963 742892663 /nfs/dbraw/zinc/89/26/63/742892663.db2.gz HTBFJXKDTAKQIB-HOTGVXAUSA-N 1 3 348.491 0.530 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027171404 742993910 /nfs/dbraw/zinc/99/39/10/742993910.db2.gz YXHGVPLDYHMFND-GJZGRUSLSA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027171404 742993915 /nfs/dbraw/zinc/99/39/15/742993915.db2.gz YXHGVPLDYHMFND-GJZGRUSLSA-N 1 3 334.468 0.578 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1)N(C)C ZINC000996966312 743078960 /nfs/dbraw/zinc/07/89/60/743078960.db2.gz TUUUNHVITNGNKV-QGZVFWFLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccn(C)c(=O)c2)CC1 ZINC000996994669 743104836 /nfs/dbraw/zinc/10/48/36/743104836.db2.gz ILOZDQPKXSFSDS-HNNXBMFYSA-N 1 3 346.475 0.950 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000996999263 743110654 /nfs/dbraw/zinc/11/06/54/743110654.db2.gz NALKERBPFLRJTH-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CNCc3cn(CC4CC4)nn3)C2)C1 ZINC001027216091 743190504 /nfs/dbraw/zinc/19/05/04/743190504.db2.gz QYPSITWQOBKTJW-HZPDHXFCSA-N 1 3 346.479 0.578 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CNCc3cn(CC4CC4)nn3)C2)C1 ZINC001027216091 743190512 /nfs/dbraw/zinc/19/05/12/743190512.db2.gz QYPSITWQOBKTJW-HZPDHXFCSA-N 1 3 346.479 0.578 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000997238507 743391169 /nfs/dbraw/zinc/39/11/69/743391169.db2.gz NOOBGAHFYZUJCE-OAHLLOKOSA-N 1 3 347.463 0.851 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000997238507 743391178 /nfs/dbraw/zinc/39/11/78/743391178.db2.gz NOOBGAHFYZUJCE-OAHLLOKOSA-N 1 3 347.463 0.851 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065136 743471940 /nfs/dbraw/zinc/47/19/40/743471940.db2.gz CWGVSGVJUDJKQN-BBRMVZONSA-N 1 3 334.468 0.626 20 0 ECADHO CCN(CC)C[C@@H](F)C(=O)NCC1([NH2+]CC(=O)NC)CCCCC1 ZINC001115559618 743572332 /nfs/dbraw/zinc/57/23/32/743572332.db2.gz DYGRLTIMWDSHJB-CQSZACIVSA-N 1 3 344.475 0.821 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001020585045 751838755 /nfs/dbraw/zinc/83/87/55/751838755.db2.gz FDHDWVNELQPRMG-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)C1 ZINC001020588612 751851596 /nfs/dbraw/zinc/85/15/96/751851596.db2.gz GYOYZPUXCXEZLE-FZKCQIBNSA-N 1 3 336.480 0.481 20 0 ECADHO CN(C)C1(C(=O)N2CCC(C[NH2+][C@@H]3CCCNC3=O)CC2)CCC1 ZINC000997823359 743837457 /nfs/dbraw/zinc/83/74/57/743837457.db2.gz MMEUJJFYMZQRBS-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000997823310 743837677 /nfs/dbraw/zinc/83/76/77/743837677.db2.gz KTDDNIZLHKZCLL-CVEARBPZSA-N 1 3 336.480 0.386 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ZINC000985647301 748792512 /nfs/dbraw/zinc/79/25/12/748792512.db2.gz OIVGYSBCJFOTKX-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088349709 748871677 /nfs/dbraw/zinc/87/16/77/748871677.db2.gz CAVPNXACPWXYAG-BNQMIIOLSA-N 1 3 337.464 0.203 20 0 ECADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001088383559 748993628 /nfs/dbraw/zinc/99/36/28/748993628.db2.gz HCNDKAUHRWTXKS-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CN([C@@H]1CCN(C)C1=O)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985750063 749009918 /nfs/dbraw/zinc/00/99/18/749009918.db2.gz BJPQTXAJMZCPSV-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CN([C@@H]1CCN(C)C1=O)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985750063 749009926 /nfs/dbraw/zinc/00/99/26/749009926.db2.gz BJPQTXAJMZCPSV-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO Cc1nc(CN[C@H]2CCCCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001088424678 749162311 /nfs/dbraw/zinc/16/23/11/749162311.db2.gz CUUGMXPUQGOGNZ-GJZGRUSLSA-N 1 3 334.468 0.926 20 0 ECADHO Cc1nc(CN[C@H]2CCCCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001088424678 749162316 /nfs/dbraw/zinc/16/23/16/749162316.db2.gz CUUGMXPUQGOGNZ-GJZGRUSLSA-N 1 3 334.468 0.926 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059676958 749373043 /nfs/dbraw/zinc/37/30/43/749373043.db2.gz POWCDJUEMSHXKO-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001059676958 749373046 /nfs/dbraw/zinc/37/30/46/749373046.db2.gz POWCDJUEMSHXKO-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO CN(Cc1cnn(C)c1)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001029888619 749422331 /nfs/dbraw/zinc/42/23/31/749422331.db2.gz IHKNHSBRAUOIBO-HNNXBMFYSA-N 1 3 331.464 0.796 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001004444533 749506547 /nfs/dbraw/zinc/50/65/47/749506547.db2.gz SQBDRWAEUGZWGW-CZUORRHYSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001004444533 749506551 /nfs/dbraw/zinc/50/65/51/749506551.db2.gz SQBDRWAEUGZWGW-CZUORRHYSA-N 1 3 336.480 0.243 20 0 ECADHO Cn1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC001029904459 749535124 /nfs/dbraw/zinc/53/51/24/749535124.db2.gz WSKPGVQQWDSNMR-KRWDZBQOSA-N 1 3 346.475 0.761 20 0 ECADHO Cn1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC001029904459 749535131 /nfs/dbraw/zinc/53/51/31/749535131.db2.gz WSKPGVQQWDSNMR-KRWDZBQOSA-N 1 3 346.475 0.761 20 0 ECADHO CC[C@H](C(=O)N[C@H]1C[C@@](C[NH2+]CC(N)=O)(c2ccccc2)C1)N(C)C ZINC001105429112 750027549 /nfs/dbraw/zinc/02/75/49/750027549.db2.gz MUAGTNPUKYEITI-MDZRGWNJSA-N 1 3 346.475 0.618 20 0 ECADHO CN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC001029947640 750029368 /nfs/dbraw/zinc/02/93/68/750029368.db2.gz URXFKOKUPGFDIO-HZPDHXFCSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CC[C@@H]([N@H+](C)CC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC001029947640 750029381 /nfs/dbraw/zinc/02/93/81/750029381.db2.gz URXFKOKUPGFDIO-HZPDHXFCSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1C[C@@H](CNCc2cnns2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980767394 750121457 /nfs/dbraw/zinc/12/14/57/750121457.db2.gz MVMNICRJFRJQBZ-STQMWFEESA-N 1 3 335.477 0.961 20 0 ECADHO Cc1nnc(CNC[C@H]2C[C@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC000980768101 750122563 /nfs/dbraw/zinc/12/25/63/750122563.db2.gz SETFHTYQEMMFHK-GXTWGEPZSA-N 1 3 332.452 0.536 20 0 ECADHO CCn1cc(CN[C@H]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000981462775 750719156 /nfs/dbraw/zinc/71/91/56/750719156.db2.gz ZSUSOHNVJFRGEZ-LSDHHAIUSA-N 1 3 346.479 0.911 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001075887300 750726511 /nfs/dbraw/zinc/72/65/11/750726511.db2.gz GNSPMDMXNULLOO-USXIJHARSA-N 1 3 348.491 0.624 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001075887300 750726515 /nfs/dbraw/zinc/72/65/15/750726515.db2.gz GNSPMDMXNULLOO-USXIJHARSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@H]1[C@H](NCC(=O)N2CCCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987358553 750752368 /nfs/dbraw/zinc/75/23/68/750752368.db2.gz IGYJCPJJSPNRMU-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001006128616 751051225 /nfs/dbraw/zinc/05/12/25/751051225.db2.gz RQJITQDNZYFJOS-KGLIPLIRSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001006128616 751051232 /nfs/dbraw/zinc/05/12/32/751051232.db2.gz RQJITQDNZYFJOS-KGLIPLIRSA-N 1 3 336.480 0.386 20 0 ECADHO COc1cccc(C(=O)N2CCC(N3CCN(CC[NH3+])CC3)CC2)c1 ZINC001167849763 751055985 /nfs/dbraw/zinc/05/59/85/751055985.db2.gz CETTXNSOOOKLMX-UHFFFAOYSA-N 1 3 346.475 0.876 20 0 ECADHO CN(CC(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001059820759 751093888 /nfs/dbraw/zinc/09/38/88/751093888.db2.gz FQFPUESOWCIHDM-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO COCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901314 751257944 /nfs/dbraw/zinc/25/79/44/751257944.db2.gz JQSKMMUZBXGJGT-KOHRHEQBSA-N 1 3 349.475 0.420 20 0 ECADHO COCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901314 751257947 /nfs/dbraw/zinc/25/79/47/751257947.db2.gz JQSKMMUZBXGJGT-KOHRHEQBSA-N 1 3 349.475 0.420 20 0 ECADHO Cn1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O ZINC001028316781 752367935 /nfs/dbraw/zinc/36/79/35/752367935.db2.gz VBVMGORJVKSXEY-JKSUJKDBSA-N 1 3 332.448 0.418 20 0 ECADHO Cn1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001028316781 752367942 /nfs/dbraw/zinc/36/79/42/752367942.db2.gz VBVMGORJVKSXEY-JKSUJKDBSA-N 1 3 332.448 0.418 20 0 ECADHO CN(CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000988660333 752507334 /nfs/dbraw/zinc/50/73/34/752507334.db2.gz RMKGVKPZENDSKP-HNNXBMFYSA-N 1 3 347.463 0.601 20 0 ECADHO CN(CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000988660333 752507337 /nfs/dbraw/zinc/50/73/37/752507337.db2.gz RMKGVKPZENDSKP-HNNXBMFYSA-N 1 3 347.463 0.601 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000982544014 752843539 /nfs/dbraw/zinc/84/35/39/752843539.db2.gz AXNQBXNUTQTYBR-GOEBONIOSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988960448 753082096 /nfs/dbraw/zinc/08/20/96/753082096.db2.gz MKZNLLVRNPVCED-ZBFHGGJFSA-N 1 3 346.475 0.949 20 0 ECADHO CCCNCc1cn([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098680131 753200017 /nfs/dbraw/zinc/20/00/17/753200017.db2.gz ANIPYIZEUMBREZ-HOTGVXAUSA-N 1 3 334.468 0.891 20 0 ECADHO O=C(NC[C@@H]1CCN([C@@H]2CCCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001028624562 753964924 /nfs/dbraw/zinc/96/49/24/753964924.db2.gz BRLXJXXFWJDUQI-JKSUJKDBSA-N 1 3 348.491 0.579 20 0 ECADHO CN1CC[C@@H](N2CC[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001028624620 753966523 /nfs/dbraw/zinc/96/65/23/753966523.db2.gz DCOLQXAEIAHMEP-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CCC1 ZINC000982874103 754050303 /nfs/dbraw/zinc/05/03/03/754050303.db2.gz NTCGKRHNTZCFPX-OAHLLOKOSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989800307 754436764 /nfs/dbraw/zinc/43/67/64/754436764.db2.gz QPUUFTMXUUONNU-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)CN1C(=O)CN1CCCC1 ZINC000989799042 754460044 /nfs/dbraw/zinc/46/00/44/754460044.db2.gz IYAIKYVXCYKAKA-WMLDXEAASA-N 1 3 344.459 0.960 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](CCCF)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028698696 754709899 /nfs/dbraw/zinc/70/98/99/754709899.db2.gz PWVFCRKCOLTQFZ-BOLLXYOYSA-N 1 3 325.428 0.647 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](CCCF)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028698696 754709902 /nfs/dbraw/zinc/70/99/02/754709902.db2.gz PWVFCRKCOLTQFZ-BOLLXYOYSA-N 1 3 325.428 0.647 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC000990276357 754931833 /nfs/dbraw/zinc/93/18/33/754931833.db2.gz ICAFVRWFVBVSML-GJZGRUSLSA-N 1 3 332.452 0.440 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901493 755438759 /nfs/dbraw/zinc/43/87/59/755438759.db2.gz CTSPPJUUWSAUTP-ZBFHGGJFSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001076241195 756252146 /nfs/dbraw/zinc/25/21/46/756252146.db2.gz GOYCPZWWAPFKAC-SOLBZPMBSA-N 1 3 345.491 0.980 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001076241195 756252151 /nfs/dbraw/zinc/25/21/51/756252151.db2.gz GOYCPZWWAPFKAC-SOLBZPMBSA-N 1 3 345.491 0.980 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)cc1 ZINC001076244058 756274724 /nfs/dbraw/zinc/27/47/24/756274724.db2.gz LIVPEXDBEMKNPL-ZWKOTPCHSA-N 1 3 331.460 0.929 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001010722790 756444567 /nfs/dbraw/zinc/44/45/67/756444567.db2.gz UFCRDAGKYUUVAI-OAHLLOKOSA-N 1 3 336.480 0.626 20 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ZINC001011134045 756996290 /nfs/dbraw/zinc/99/62/90/756996290.db2.gz YLTXDSQTYCAYMW-HZPDHXFCSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1)N(C)C ZINC001011134045 756996294 /nfs/dbraw/zinc/99/62/94/756996294.db2.gz YLTXDSQTYCAYMW-HZPDHXFCSA-N 1 3 338.496 0.870 20 0 ECADHO CN(C)C1(C(=O)N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CCC1 ZINC001011178046 757130124 /nfs/dbraw/zinc/13/01/24/757130124.db2.gz JKCKYDJSWPQDOP-INIZCTEOSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829827 757131474 /nfs/dbraw/zinc/13/14/74/757131474.db2.gz ZNYNOOLBKUSEBW-LBKYZSNHSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829827 757131482 /nfs/dbraw/zinc/13/14/82/757131482.db2.gz ZNYNOOLBKUSEBW-LBKYZSNHSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000996299732 757305675 /nfs/dbraw/zinc/30/56/75/757305675.db2.gz DKRKQTHQYFZBMO-CABCVRRESA-N 1 3 334.468 0.589 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)CN2CCC[C@@H]2C)CC1)[NH+](C)C ZINC001011268219 757346087 /nfs/dbraw/zinc/34/60/87/757346087.db2.gz WGONLJHPVPWPCI-RDJZCZTQSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1)N(C)C ZINC000996315550 757351053 /nfs/dbraw/zinc/35/10/53/757351053.db2.gz SVUSJLZGQKORNT-HOTGVXAUSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001011406589 757644401 /nfs/dbraw/zinc/64/44/01/757644401.db2.gz WAMQINAXQQBDTI-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001011406589 757644404 /nfs/dbraw/zinc/64/44/04/757644404.db2.gz WAMQINAXQQBDTI-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](N[C@@H](C)C(N)=O)C(C)(C)C2)CC1 ZINC000996476998 757757408 /nfs/dbraw/zinc/75/74/08/757757408.db2.gz UOIHJCCHFAUCIQ-DZGCQCFKSA-N 1 3 338.496 0.807 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(Cc4cnn(C)c4)C[C@H]3C2)C1 ZINC001049058781 757814363 /nfs/dbraw/zinc/81/43/63/757814363.db2.gz IFJKSHDTFODLLQ-OIISXLGYSA-N 1 3 331.464 0.652 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(Cc4cnn(C)c4)C[C@H]3C2)C1 ZINC001049058781 757814371 /nfs/dbraw/zinc/81/43/71/757814371.db2.gz IFJKSHDTFODLLQ-OIISXLGYSA-N 1 3 331.464 0.652 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ccnn2C)C1 ZINC001051647935 762578455 /nfs/dbraw/zinc/57/84/55/762578455.db2.gz YJQDQCKNPSOTFO-IRXDYDNUSA-N 1 3 349.479 0.612 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ccnn2C)C1 ZINC001051647935 762578459 /nfs/dbraw/zinc/57/84/59/762578459.db2.gz YJQDQCKNPSOTFO-IRXDYDNUSA-N 1 3 349.479 0.612 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CCO[C@@H](CNCc2ccccn2)C1)C1CC1 ZINC001051654512 762602809 /nfs/dbraw/zinc/60/28/09/762602809.db2.gz OPKFBDXQAKCXBZ-IRXDYDNUSA-N 1 3 332.448 0.739 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CCO[C@@H](CNCc2ccccn2)C1)C1CC1 ZINC001051654510 762602496 /nfs/dbraw/zinc/60/24/96/762602496.db2.gz OPKFBDXQAKCXBZ-DLBZAZTESA-N 1 3 332.448 0.739 20 0 ECADHO Cc1ncoc1CN1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001049174079 758221423 /nfs/dbraw/zinc/22/14/23/758221423.db2.gz MGBLMGVJOGCHTC-GASCZTMLSA-N 1 3 330.432 0.969 20 0 ECADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)on1 ZINC000996625207 758272530 /nfs/dbraw/zinc/27/25/30/758272530.db2.gz ZSUTXGZHXCRPSX-RDJZCZTQSA-N 1 3 348.447 0.927 20 0 ECADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)on1 ZINC000996625207 758272533 /nfs/dbraw/zinc/27/25/33/758272533.db2.gz ZSUTXGZHXCRPSX-RDJZCZTQSA-N 1 3 348.447 0.927 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022105129 758284054 /nfs/dbraw/zinc/28/40/54/758284054.db2.gz QQRPLSDYJAZRHS-APIJFGDWSA-N 1 3 334.468 0.683 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022105129 758284064 /nfs/dbraw/zinc/28/40/64/758284064.db2.gz QQRPLSDYJAZRHS-APIJFGDWSA-N 1 3 334.468 0.683 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001022212992 758431302 /nfs/dbraw/zinc/43/13/02/758431302.db2.gz WFWQMUAEIUKVID-OFQRWUPVSA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001022212992 758431309 /nfs/dbraw/zinc/43/13/09/758431309.db2.gz WFWQMUAEIUKVID-OFQRWUPVSA-N 1 3 345.447 0.353 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001022274361 758510650 /nfs/dbraw/zinc/51/06/50/758510650.db2.gz YAIWQZBPAJETTD-GASCZTMLSA-N 1 3 346.479 0.911 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001022278426 758517004 /nfs/dbraw/zinc/51/70/04/758517004.db2.gz NMHVPRDAFYZCHN-HLPPOEQASA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001022278426 758517009 /nfs/dbraw/zinc/51/70/09/758517009.db2.gz NMHVPRDAFYZCHN-HLPPOEQASA-N 1 3 332.452 0.569 20 0 ECADHO COCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049486865 758796570 /nfs/dbraw/zinc/79/65/70/758796570.db2.gz RKLMHDRBBXMCDR-IRXDYDNUSA-N 1 3 349.479 0.770 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2CCn1cncn1)[NH+](C)C ZINC001049533305 758879920 /nfs/dbraw/zinc/87/99/20/758879920.db2.gz NBWYEMFFAJFIGM-ZACQAIPSSA-N 1 3 348.495 0.930 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cscn3)C2)C1 ZINC001022592915 758925579 /nfs/dbraw/zinc/92/55/79/758925579.db2.gz DPKKYTOCRASIMW-GUTXKFCHSA-N 1 3 338.477 0.989 20 0 ECADHO COc1coc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)cc1=O ZINC001022711960 759026315 /nfs/dbraw/zinc/02/63/15/759026315.db2.gz GZMOACNRIRBQRV-MCIONIFRSA-N 1 3 349.431 0.870 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022713647 759027593 /nfs/dbraw/zinc/02/75/93/759027593.db2.gz LHPSSMXENVAMNL-PFHKOEEOSA-N 1 3 340.443 0.324 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001022716375 759030889 /nfs/dbraw/zinc/03/08/89/759030889.db2.gz VUZZOSANRPFYAY-XYPHTWIQSA-N 1 3 344.459 0.864 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001107036841 759490285 /nfs/dbraw/zinc/49/02/85/759490285.db2.gz RZOQDOODOWUUNU-ZACQAIPSSA-N 1 3 348.495 0.837 20 0 ECADHO C[C@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047891032 759661954 /nfs/dbraw/zinc/66/19/54/759661954.db2.gz PNKCMMLKJIREKB-LSDHHAIUSA-N 1 3 346.479 0.770 20 0 ECADHO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047982598 759769931 /nfs/dbraw/zinc/76/99/31/759769931.db2.gz KOLFNKVGGFKIDK-HIFRSBDPSA-N 1 3 343.431 0.678 20 0 ECADHO Cn1cnnc1CNC[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001050386728 760214016 /nfs/dbraw/zinc/21/40/16/760214016.db2.gz UVGGSMWKXCESNO-JYJNAYRXSA-N 1 3 348.495 0.922 20 0 ECADHO Cn1cnnc1CNC[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001050386728 760214023 /nfs/dbraw/zinc/21/40/23/760214023.db2.gz UVGGSMWKXCESNO-JYJNAYRXSA-N 1 3 348.495 0.922 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001050389211 760217942 /nfs/dbraw/zinc/21/79/42/760217942.db2.gz OUQSXQXZADXBLN-RBSFLKMASA-N 1 3 347.463 0.804 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000945399151 760221085 /nfs/dbraw/zinc/22/10/85/760221085.db2.gz MYMHVYDIFCLLQV-IAGOWNOFSA-N 1 3 348.491 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001050462523 760306453 /nfs/dbraw/zinc/30/64/53/760306453.db2.gz UOVYQTPZBZUTTH-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNCc1nncn1C ZINC001048369135 760388004 /nfs/dbraw/zinc/38/80/04/760388004.db2.gz NKGOSKSAWDDKRV-ZFWWWQNUSA-N 1 3 334.468 0.341 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001050580139 760527936 /nfs/dbraw/zinc/52/79/36/760527936.db2.gz KCYDBNNMZLWRSR-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO COc1cc(CNC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)on1 ZINC001048441902 760537371 /nfs/dbraw/zinc/53/73/71/760537371.db2.gz SYQONLJLEQUTEP-KBPBESRZSA-N 1 3 348.447 0.963 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050661650 760636093 /nfs/dbraw/zinc/63/60/93/760636093.db2.gz AEWITECJBPLCPC-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050661650 760636095 /nfs/dbraw/zinc/63/60/95/760636095.db2.gz AEWITECJBPLCPC-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCc1ccco1 ZINC001127066102 760686766 /nfs/dbraw/zinc/68/67/66/760686766.db2.gz JLXMQPITDDBPPF-HNNXBMFYSA-N 1 3 336.436 0.474 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCc1ccco1 ZINC001127066102 760686771 /nfs/dbraw/zinc/68/67/71/760686771.db2.gz JLXMQPITDDBPPF-HNNXBMFYSA-N 1 3 336.436 0.474 20 0 ECADHO CN1CC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050753359 760778885 /nfs/dbraw/zinc/77/88/85/760778885.db2.gz JNTPSWCFVHYABB-HUUCEWRRSA-N 1 3 334.464 0.093 20 0 ECADHO CN1CC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050753359 760778890 /nfs/dbraw/zinc/77/88/90/760778890.db2.gz JNTPSWCFVHYABB-HUUCEWRRSA-N 1 3 334.464 0.093 20 0 ECADHO CN1CC[C@H]([NH+]2CCC3(CN(C(=O)CN4CCCC4)C3)CC2)C1=O ZINC001050753963 760780834 /nfs/dbraw/zinc/78/08/34/760780834.db2.gz JWJQBALYWLQINX-HNNXBMFYSA-N 1 3 334.464 0.237 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050754246 760782922 /nfs/dbraw/zinc/78/29/22/760782922.db2.gz SIHCBMQXYIBCQY-LSDHHAIUSA-N 1 3 334.464 0.141 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050754246 760782931 /nfs/dbraw/zinc/78/29/31/760782931.db2.gz SIHCBMQXYIBCQY-LSDHHAIUSA-N 1 3 334.464 0.141 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1)N(C)C ZINC000995938315 760848645 /nfs/dbraw/zinc/84/86/45/760848645.db2.gz YBZNJBLUTFUTNZ-GJZGRUSLSA-N 1 3 336.484 0.691 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991423299 760865089 /nfs/dbraw/zinc/86/50/89/760865089.db2.gz WRQWTSFEDSBYOY-HOTGVXAUSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1)N(C)C ZINC000991423299 760865104 /nfs/dbraw/zinc/86/51/04/760865104.db2.gz WRQWTSFEDSBYOY-HOTGVXAUSA-N 1 3 338.496 0.917 20 0 ECADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127081933 761015843 /nfs/dbraw/zinc/01/58/43/761015843.db2.gz GROQDAUEBJMNQR-CABCVRRESA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127081933 761015852 /nfs/dbraw/zinc/01/58/52/761015852.db2.gz GROQDAUEBJMNQR-CABCVRRESA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C ZINC001127082270 761019141 /nfs/dbraw/zinc/01/91/41/761019141.db2.gz NYZQMDWTPASZHP-KBPBESRZSA-N 1 3 326.485 0.868 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C ZINC001127082270 761019151 /nfs/dbraw/zinc/01/91/51/761019151.db2.gz NYZQMDWTPASZHP-KBPBESRZSA-N 1 3 326.485 0.868 20 0 ECADHO CC[C@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001017461484 768008145 /nfs/dbraw/zinc/00/81/45/768008145.db2.gz JOEMRMBJZVNMCH-HZPDHXFCSA-N 1 3 336.480 0.553 20 0 ECADHO CC[C@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001017461484 768008153 /nfs/dbraw/zinc/00/81/53/768008153.db2.gz JOEMRMBJZVNMCH-HZPDHXFCSA-N 1 3 336.480 0.553 20 0 ECADHO CN(CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001017464212 768011895 /nfs/dbraw/zinc/01/18/95/768011895.db2.gz GITOAGRXJXUXIQ-MRXNPFEDSA-N 1 3 348.491 0.697 20 0 ECADHO CN(CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001017464212 768011901 /nfs/dbraw/zinc/01/19/01/768011901.db2.gz GITOAGRXJXUXIQ-MRXNPFEDSA-N 1 3 348.491 0.697 20 0 ECADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(=O)N(C)C ZINC001106256005 768023069 /nfs/dbraw/zinc/02/30/69/768023069.db2.gz TXUJSSCFJITGBP-RBSFLKMASA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106255956 768023180 /nfs/dbraw/zinc/02/31/80/768023180.db2.gz RCGCRQHGVDBWPI-HUUCEWRRSA-N 1 3 334.468 0.447 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC001017487350 768052973 /nfs/dbraw/zinc/05/29/73/768052973.db2.gz NKFVZDDAUWEGAK-DJIMGWMZSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC001017487350 768052977 /nfs/dbraw/zinc/05/29/77/768052977.db2.gz NKFVZDDAUWEGAK-DJIMGWMZSA-N 1 3 348.491 0.696 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001014503440 762769477 /nfs/dbraw/zinc/76/94/77/762769477.db2.gz RVVNAKFXHJIKNB-HYVNUMGLSA-N 1 3 333.480 0.883 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001014503440 762769483 /nfs/dbraw/zinc/76/94/83/762769483.db2.gz RVVNAKFXHJIKNB-HYVNUMGLSA-N 1 3 333.480 0.883 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001051749357 762868996 /nfs/dbraw/zinc/86/89/96/762868996.db2.gz CXURHYCZNPYLNC-INIZCTEOSA-N 1 3 349.479 0.612 20 0 ECADHO C[NH+]1CCC(C(=O)NCC2=CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001017546896 768101730 /nfs/dbraw/zinc/10/17/30/768101730.db2.gz CSZJBDQONXOUJS-UHFFFAOYSA-N 1 3 348.491 0.699 20 0 ECADHO Cn1ccc(CN2CC[C@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)cc1=O ZINC001046775907 763105008 /nfs/dbraw/zinc/10/50/08/763105008.db2.gz VHRJSCCRMLWLHX-SFHVURJKSA-N 1 3 344.459 0.562 20 0 ECADHO C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(C[C@H]2CCc3ncnn32)C1 ZINC001046777790 763110349 /nfs/dbraw/zinc/11/03/49/763110349.db2.gz XVLOPHSGJMVJFJ-RHSMWYFYSA-N 1 3 344.463 0.442 20 0 ECADHO C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(C[C@H]2CCc3ncnn32)C1 ZINC001046777789 763110385 /nfs/dbraw/zinc/11/03/85/763110385.db2.gz XVLOPHSGJMVJFJ-PBHICJAKSA-N 1 3 344.463 0.442 20 0 ECADHO COc1ccc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051930655 763363948 /nfs/dbraw/zinc/36/39/48/763363948.db2.gz PQSYAWMXWUTQAR-CVEARBPZSA-N 1 3 348.447 0.359 20 0 ECADHO COc1ccc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051930655 763363954 /nfs/dbraw/zinc/36/39/54/763363954.db2.gz PQSYAWMXWUTQAR-CVEARBPZSA-N 1 3 348.447 0.359 20 0 ECADHO Cc1cccnc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931330 763364720 /nfs/dbraw/zinc/36/47/20/763364720.db2.gz YGELLRUPOJJQHB-JKSUJKDBSA-N 1 3 332.448 0.659 20 0 ECADHO Cc1cccnc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051931330 763364730 /nfs/dbraw/zinc/36/47/30/763364730.db2.gz YGELLRUPOJJQHB-JKSUJKDBSA-N 1 3 332.448 0.659 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCc3cncc(F)c3)C2)C1 ZINC001051931354 763365184 /nfs/dbraw/zinc/36/51/84/763365184.db2.gz YSFYOQAUPWUEBA-ZBFHGGJFSA-N 1 3 336.411 0.489 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCc3cncc(F)c3)C2)C1 ZINC001051931354 763365191 /nfs/dbraw/zinc/36/51/91/763365191.db2.gz YSFYOQAUPWUEBA-ZBFHGGJFSA-N 1 3 336.411 0.489 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052026164 763618637 /nfs/dbraw/zinc/61/86/37/763618637.db2.gz BDUJLOWQSPJGHQ-MSOLQXFVSA-N 1 3 334.508 0.955 20 0 ECADHO CC(C)(C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC001127322159 768149898 /nfs/dbraw/zinc/14/98/98/768149898.db2.gz LVHJVPYAIIQQTP-AWEZNQCLSA-N 1 3 345.509 0.391 20 0 ECADHO COCC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cncc3C)C2)CC1 ZINC001052051849 763713125 /nfs/dbraw/zinc/71/31/25/763713125.db2.gz DJEDDHDQSSAJPS-INIZCTEOSA-N 1 3 335.452 0.056 20 0 ECADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001047463989 764420460 /nfs/dbraw/zinc/42/04/60/764420460.db2.gz ZKBWYCRLYHYFMC-JBWWOZQKSA-N 1 3 349.475 0.153 20 0 ECADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001047463989 764420463 /nfs/dbraw/zinc/42/04/63/764420463.db2.gz ZKBWYCRLYHYFMC-JBWWOZQKSA-N 1 3 349.475 0.153 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001054739997 768215072 /nfs/dbraw/zinc/21/50/72/768215072.db2.gz UNBNXEDAAOMIDI-GDBMZVCRSA-N 1 3 333.480 0.883 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766449 765084411 /nfs/dbraw/zinc/08/44/11/765084411.db2.gz DIUJRFGKNADSPX-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001052815794 765174604 /nfs/dbraw/zinc/17/46/04/765174604.db2.gz XASXQSCPVGZCQM-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO O=C(N[C@@H]1CCN(C[C@H]2CCc3ncnn32)C1)C12CC[NH+](CC1)C2 ZINC001016003507 765701664 /nfs/dbraw/zinc/70/16/64/765701664.db2.gz IUVZGXGLEPIFEW-ZIAGYGMSSA-N 1 3 330.436 0.052 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001077499420 765721621 /nfs/dbraw/zinc/72/16/21/765721621.db2.gz KHQYNPQOGVJPEV-LSDHHAIUSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001077499420 765721626 /nfs/dbraw/zinc/72/16/26/765721626.db2.gz KHQYNPQOGVJPEV-LSDHHAIUSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCc1cnnn1C ZINC001054854879 768340843 /nfs/dbraw/zinc/34/08/43/768340843.db2.gz ZPIWHGHSQZVSFA-ZFWWWQNUSA-N 1 3 332.452 0.380 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001053504562 766251211 /nfs/dbraw/zinc/25/12/11/766251211.db2.gz SZNFVFRGGOTJFQ-UONOGXRCSA-N 1 3 347.463 0.505 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@@H](O)Cc3ccccc3)C2)CC[N@@H+]1C ZINC001031681631 766452720 /nfs/dbraw/zinc/45/27/20/766452720.db2.gz CBIPBWVQPDVMKU-AYOQOUSVSA-N 1 3 345.487 0.978 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@@H](O)Cc3ccccc3)C2)CC[N@H+]1C ZINC001031681631 766452723 /nfs/dbraw/zinc/45/27/23/766452723.db2.gz CBIPBWVQPDVMKU-AYOQOUSVSA-N 1 3 345.487 0.978 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001045891936 766474057 /nfs/dbraw/zinc/47/40/57/766474057.db2.gz MKUXNCDFGWSZQB-OAGGEKHMSA-N 1 3 327.444 0.990 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001045891936 766474062 /nfs/dbraw/zinc/47/40/62/766474062.db2.gz MKUXNCDFGWSZQB-OAGGEKHMSA-N 1 3 327.444 0.990 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CC[N@H+](CC4CC4)C3)CC2)C1 ZINC001046064634 766843171 /nfs/dbraw/zinc/84/31/71/766843171.db2.gz QFXWSUPOCLGNBO-SJLPKXTDSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CC[N@@H+](CC4CC4)C3)CC2)C1 ZINC001046064634 766843183 /nfs/dbraw/zinc/84/31/83/766843183.db2.gz QFXWSUPOCLGNBO-SJLPKXTDSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001016769259 766888318 /nfs/dbraw/zinc/88/83/18/766888318.db2.gz TXYDDKWWXDNBGP-FHERZECASA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCn3cncn3)C2)C1)N(C)C ZINC001054198707 767796870 /nfs/dbraw/zinc/79/68/70/767796870.db2.gz DVOCITYEPFUWAX-FUHWJXTLSA-N 1 3 348.495 0.933 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1)N(C)C ZINC001054198707 767796875 /nfs/dbraw/zinc/79/68/75/767796875.db2.gz DVOCITYEPFUWAX-FUHWJXTLSA-N 1 3 348.495 0.933 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCOCCO ZINC001106672577 768587888 /nfs/dbraw/zinc/58/78/88/768587888.db2.gz FHNPAMLAWBFIQS-HZPDHXFCSA-N 1 3 343.512 0.657 20 0 ECADHO CCC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704962 768693424 /nfs/dbraw/zinc/69/34/24/768693424.db2.gz LAEDRDUUCTVQGD-QLFBSQMISA-N 1 3 349.479 0.941 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1 ZINC001106782903 768949265 /nfs/dbraw/zinc/94/92/65/768949265.db2.gz BQCJZHNSRVAQMJ-NVXWUHKLSA-N 1 3 335.496 0.989 20 0 ECADHO COCCN1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993987143 769967344 /nfs/dbraw/zinc/96/73/44/769967344.db2.gz LWGJUWVMPURWGN-GDBMZVCRSA-N 1 3 337.468 0.674 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001018962987 770412385 /nfs/dbraw/zinc/41/23/85/770412385.db2.gz SYSRHUXOWMYKAM-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001018962987 770412391 /nfs/dbraw/zinc/41/23/91/770412391.db2.gz SYSRHUXOWMYKAM-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)C1(C(=O)N2CCCO[C@H](C[NH2+]C[C@H]3CCOC3)C2)CCC1 ZINC001078411027 782894179 /nfs/dbraw/zinc/89/41/79/782894179.db2.gz CLWPJVBGASCXAJ-HZPDHXFCSA-N 1 3 339.480 0.714 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001019380808 771227752 /nfs/dbraw/zinc/22/77/52/771227752.db2.gz NGSZXUDXHKRDKA-HOCLYGCPSA-N 1 3 332.448 0.560 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056565813 771386857 /nfs/dbraw/zinc/38/68/57/771386857.db2.gz WOQWFGSQHJRVKG-HRCADAONSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H](C(N)=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540269 771422940 /nfs/dbraw/zinc/42/29/40/771422940.db2.gz SZGYOJKKZKTWJO-ZIAGYGMSSA-N 1 3 336.480 0.563 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)n1 ZINC001019560735 771487818 /nfs/dbraw/zinc/48/78/18/771487818.db2.gz VJGOJCXRMYPDOQ-KRWDZBQOSA-N 1 3 348.495 0.817 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCCO[C@H](C[NH2+]CC2CC2)C1 ZINC001078432472 782939805 /nfs/dbraw/zinc/93/98/05/782939805.db2.gz AJBNJMWGVTWONO-VZDIDWBNSA-N 1 3 349.475 0.467 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179304 772251776 /nfs/dbraw/zinc/25/17/76/772251776.db2.gz WEXSSFOXPGEFBZ-YXWQFLTLSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020179304 772251779 /nfs/dbraw/zinc/25/17/79/772251779.db2.gz WEXSSFOXPGEFBZ-YXWQFLTLSA-N 1 3 334.420 0.583 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC[C@H]1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001078465902 782998548 /nfs/dbraw/zinc/99/85/48/782998548.db2.gz NCJXFFRSKKEFKZ-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC001020273590 772386010 /nfs/dbraw/zinc/38/60/10/772386010.db2.gz UPDXMYOMTPFZFI-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC001020273590 772386016 /nfs/dbraw/zinc/38/60/16/772386016.db2.gz UPDXMYOMTPFZFI-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc3ccn(C)n3)C1)CC2 ZINC001020316704 772438156 /nfs/dbraw/zinc/43/81/56/772438156.db2.gz RFROZTNFTFZGQW-QEJZJMRPSA-N 1 3 342.447 0.994 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC001020346132 772475587 /nfs/dbraw/zinc/47/55/87/772475587.db2.gz CDDUVNWSRIAYSU-LZWOXQAQSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC001020346132 772475589 /nfs/dbraw/zinc/47/55/89/772475589.db2.gz CDDUVNWSRIAYSU-LZWOXQAQSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406865 772551298 /nfs/dbraw/zinc/55/12/98/772551298.db2.gz COFKZOYDYGGTMI-BCCXBEIMSA-N 1 3 349.475 0.656 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044863070 774685912 /nfs/dbraw/zinc/68/59/12/774685912.db2.gz PJVKDOYMWUEVBY-BBRMVZONSA-N 1 3 332.448 0.816 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCCO)C1 ZINC001039867426 783205480 /nfs/dbraw/zinc/20/54/80/783205480.db2.gz YIFRBGJCWKXRAM-BBWFWOEESA-N 1 3 339.480 0.543 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCCO)C1 ZINC001039867426 783205482 /nfs/dbraw/zinc/20/54/82/783205482.db2.gz YIFRBGJCWKXRAM-BBWFWOEESA-N 1 3 339.480 0.543 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCc2cnnn2C)C1 ZINC001045067330 774925621 /nfs/dbraw/zinc/92/56/21/774925621.db2.gz OSKREFVAQPVMRU-HOTGVXAUSA-N 1 3 348.495 0.874 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCc2cnnn2C)C1 ZINC001045067330 774925625 /nfs/dbraw/zinc/92/56/25/774925625.db2.gz OSKREFVAQPVMRU-HOTGVXAUSA-N 1 3 348.495 0.874 20 0 ECADHO CN1CC[C@@H](NC[C@@H]2CCCN2C(=O)C23CCC[NH+](CCC2)C3)C1=O ZINC001045089057 774958865 /nfs/dbraw/zinc/95/88/65/774958865.db2.gz YYZJMZGMHJMEDM-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO COc1coc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cc1=O ZINC001045311716 775386389 /nfs/dbraw/zinc/38/63/89/775386389.db2.gz PJEMFFQDCGKHMF-KGLIPLIRSA-N 1 3 349.431 0.681 20 0 ECADHO COc1coc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001045311716 775386400 /nfs/dbraw/zinc/38/64/00/775386400.db2.gz PJEMFFQDCGKHMF-KGLIPLIRSA-N 1 3 349.431 0.681 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001080018227 777240492 /nfs/dbraw/zinc/24/04/92/777240492.db2.gz MTSFSKNQMSNXGP-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001080018227 777240500 /nfs/dbraw/zinc/24/05/00/777240500.db2.gz MTSFSKNQMSNXGP-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080140637 777450646 /nfs/dbraw/zinc/45/06/46/777450646.db2.gz XZPXJZMTICRHBZ-ZBFHGGJFSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080140637 777450649 /nfs/dbraw/zinc/45/06/49/777450649.db2.gz XZPXJZMTICRHBZ-ZBFHGGJFSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001080382831 777774059 /nfs/dbraw/zinc/77/40/59/777774059.db2.gz GCDBTHSBCHRICY-HNNXBMFYSA-N 1 3 326.485 0.728 20 0 ECADHO CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2)N1CCCCC1 ZINC001078625761 780269689 /nfs/dbraw/zinc/26/96/89/780269689.db2.gz GJCGBOPIIWCKBL-ZIAGYGMSSA-N 1 3 336.480 0.753 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078718060 780394181 /nfs/dbraw/zinc/39/41/81/780394181.db2.gz KKVVMRGINDINQN-JKSUJKDBSA-N 1 3 346.479 0.674 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001077655806 781436431 /nfs/dbraw/zinc/43/64/31/781436431.db2.gz HZBZXUVOPVUTPF-GOEBONIOSA-N 1 3 328.501 0.925 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001077655806 781436435 /nfs/dbraw/zinc/43/64/35/781436435.db2.gz HZBZXUVOPVUTPF-GOEBONIOSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1CC[C@]2(CCN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001041606650 781840139 /nfs/dbraw/zinc/84/01/39/781840139.db2.gz SYKBJDHFEXMZBQ-UGSOOPFHSA-N 1 3 348.447 0.753 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001041606650 781840148 /nfs/dbraw/zinc/84/01/48/781840148.db2.gz SYKBJDHFEXMZBQ-UGSOOPFHSA-N 1 3 348.447 0.753 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001040849673 783556897 /nfs/dbraw/zinc/55/68/97/783556897.db2.gz SUBCDRVYFMWOGV-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001040849673 783556905 /nfs/dbraw/zinc/55/69/05/783556905.db2.gz SUBCDRVYFMWOGV-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CCN2C[C@H]2CCCOC2)n1 ZINC001038259364 784075497 /nfs/dbraw/zinc/07/54/97/784075497.db2.gz GBKQGAPFHMPEDI-HZPDHXFCSA-N 1 3 349.479 0.675 20 0 ECADHO COCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(N(C)C)CCC1)C[C@@H](C)O2 ZINC001071176421 784666812 /nfs/dbraw/zinc/66/68/12/784666812.db2.gz VLNXVWNEIVWMMW-WBVHZDCISA-N 1 3 339.480 0.809 20 0 ECADHO COCC[N@H+]1CC[C@]2(C1)CN(C(=O)C1(N(C)C)CCC1)C[C@@H](C)O2 ZINC001071176421 784666818 /nfs/dbraw/zinc/66/68/18/784666818.db2.gz VLNXVWNEIVWMMW-WBVHZDCISA-N 1 3 339.480 0.809 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001070873545 784778734 /nfs/dbraw/zinc/77/87/34/784778734.db2.gz ONJMZKJFAMMCHF-WBVHZDCISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CN1CCn1cccn1 ZINC001071996132 785497469 /nfs/dbraw/zinc/49/74/69/785497469.db2.gz PMQAVCFQUBHNTO-HOTGVXAUSA-N 1 3 331.464 0.948 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001072287691 785985265 /nfs/dbraw/zinc/98/52/65/785985265.db2.gz ZTGNGBLYFHVBCY-HUUCEWRRSA-N 1 3 326.485 0.632 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001072287691 785985272 /nfs/dbraw/zinc/98/52/72/785985272.db2.gz ZTGNGBLYFHVBCY-HUUCEWRRSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1cncn1C ZINC001072368865 786091299 /nfs/dbraw/zinc/09/12/99/786091299.db2.gz HORMSMJQKJEGLI-KBPBESRZSA-N 1 3 330.436 0.960 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001072481306 786254337 /nfs/dbraw/zinc/25/43/37/786254337.db2.gz ORKLIFJHJQEKFL-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001074198651 786429623 /nfs/dbraw/zinc/42/96/23/786429623.db2.gz RNXQEJZNCXPEKR-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073854189 787369028 /nfs/dbraw/zinc/36/90/28/787369028.db2.gz YUAOHEQLUZAVTC-DLBZAZTESA-N 1 3 341.496 0.840 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073854189 787369035 /nfs/dbraw/zinc/36/90/35/787369035.db2.gz YUAOHEQLUZAVTC-DLBZAZTESA-N 1 3 341.496 0.840 20 0 ECADHO C[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001073898961 787473093 /nfs/dbraw/zinc/47/30/93/787473093.db2.gz HOIOKLCJHXPIFJ-WBVHZDCISA-N 1 3 349.475 0.950 20 0 ECADHO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001073898961 787473094 /nfs/dbraw/zinc/47/30/94/787473094.db2.gz HOIOKLCJHXPIFJ-WBVHZDCISA-N 1 3 349.475 0.950 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@@H]1C)N(C)C ZINC001074711222 787658485 /nfs/dbraw/zinc/65/84/85/787658485.db2.gz VTMRZCKZUGHTAV-ZQDZILKHSA-N 1 3 345.509 0.340 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)[C@@H]1C)N(C)C ZINC001074711205 787658872 /nfs/dbraw/zinc/65/88/72/787658872.db2.gz VTMRZCKZUGHTAV-LJISPDSOSA-N 1 3 345.509 0.340 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001074089601 787853525 /nfs/dbraw/zinc/85/35/25/787853525.db2.gz FQLFOHKXDPVAKV-DZGCQCFKSA-N 1 3 349.479 0.956 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832319 788399892 /nfs/dbraw/zinc/39/98/92/788399892.db2.gz DBIGMKJNMVNSNX-VGWMRTNUSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832319 788399902 /nfs/dbraw/zinc/39/99/02/788399902.db2.gz DBIGMKJNMVNSNX-VGWMRTNUSA-N 1 3 336.480 0.528 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001072621954 788451890 /nfs/dbraw/zinc/45/18/90/788451890.db2.gz ISJONQDXRZZHDZ-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001075005070 788713368 /nfs/dbraw/zinc/71/33/68/788713368.db2.gz YPRNWDYZDLNVTN-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)CC[NH+](C)C ZINC001075035099 788766417 /nfs/dbraw/zinc/76/64/17/788766417.db2.gz YBVVYBHZRRYYDH-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001075087983 788883397 /nfs/dbraw/zinc/88/33/97/788883397.db2.gz FJSDTGGQGOIVIB-JSGCOSHPSA-N 1 3 335.452 0.708 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](C[C@H](O)Cn1cccn1)C2)N(C)C ZINC001072989545 789234263 /nfs/dbraw/zinc/23/42/63/789234263.db2.gz KVGWBCMXJVEPJS-HOTGVXAUSA-N 1 3 349.479 0.119 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)Cn1cccn1)C2)N(C)C ZINC001072989545 789234269 /nfs/dbraw/zinc/23/42/69/789234269.db2.gz KVGWBCMXJVEPJS-HOTGVXAUSA-N 1 3 349.479 0.119 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)C[N@H+](C)CCC ZINC001067877706 792410756 /nfs/dbraw/zinc/41/07/56/792410756.db2.gz QFFVEYDULRDETG-UHFFFAOYSA-N 1 3 328.501 0.977 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)C[N@@H+](C)CCC ZINC001067877706 792410760 /nfs/dbraw/zinc/41/07/60/792410760.db2.gz QFFVEYDULRDETG-UHFFFAOYSA-N 1 3 328.501 0.977 20 0 ECADHO CCCNC(=O)CNCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456279 837441659 /nfs/dbraw/zinc/44/16/59/837441659.db2.gz RTULUHFJEQCCOU-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@H](C(=O)N(C)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001283658803 837781698 /nfs/dbraw/zinc/78/16/98/837781698.db2.gz FXLOLLGFJSFZFY-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CC[C@H](C(=O)N(C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001283658803 837781704 /nfs/dbraw/zinc/78/17/04/837781704.db2.gz FXLOLLGFJSFZFY-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCOCCCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267575755 837827638 /nfs/dbraw/zinc/82/76/38/837827638.db2.gz KTRFJPAPIYBIPI-QGZVFWFLSA-N 1 3 340.512 0.441 20 0 ECADHO CCOCCCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267575755 837827650 /nfs/dbraw/zinc/82/76/50/837827650.db2.gz KTRFJPAPIYBIPI-QGZVFWFLSA-N 1 3 340.512 0.441 20 0 ECADHO CCCCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266778218 836292590 /nfs/dbraw/zinc/29/25/90/836292590.db2.gz JTCRRKDSYSZNOG-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267002441 836597128 /nfs/dbraw/zinc/59/71/28/836597128.db2.gz LUVBERMTXRBULE-CABCVRRESA-N 1 3 326.485 0.537 20 0 ECADHO CCCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267002424 836597253 /nfs/dbraw/zinc/59/72/53/836597253.db2.gz LLIAZBDUWSIKSL-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CCNCC(=O)NCC(C)(C)C)[NH+](C)C ZINC001267005186 836603528 /nfs/dbraw/zinc/60/35/28/836603528.db2.gz WAKYZWIAVYDCPZ-OAHLLOKOSA-N 1 3 328.501 0.783 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC001267025148 836644692 /nfs/dbraw/zinc/64/46/92/836644692.db2.gz KJFXTCCHORJOGL-HOTGVXAUSA-N 1 3 325.453 0.468 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001267067029 836708851 /nfs/dbraw/zinc/70/88/51/836708851.db2.gz MRZQLTCMCAKVGV-RDJZCZTQSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001408594437 837096552 /nfs/dbraw/zinc/09/65/52/837096552.db2.gz SKTTWYGEHWGQKR-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001408594437 837096561 /nfs/dbraw/zinc/09/65/61/837096561.db2.gz SKTTWYGEHWGQKR-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(=O)N(C)C ZINC001267334430 837219389 /nfs/dbraw/zinc/21/93/89/837219389.db2.gz KUXYGXZKHMEOFK-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001267334430 837219385 /nfs/dbraw/zinc/21/93/85/837219385.db2.gz KUXYGXZKHMEOFK-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001408600456 837288193 /nfs/dbraw/zinc/28/81/93/837288193.db2.gz DCHNBXFVZBLILP-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(=O)[C@H]1CCCN1C ZINC001408742479 838215098 /nfs/dbraw/zinc/21/50/98/838215098.db2.gz BLFRBVGAYFVRRX-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(=O)[C@H]1CCCN1C ZINC001408742479 838215108 /nfs/dbraw/zinc/21/51/08/838215108.db2.gz BLFRBVGAYFVRRX-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCOCCOC)C2)CC[N@@H+]1C ZINC001267764320 838495269 /nfs/dbraw/zinc/49/52/69/838495269.db2.gz SNCYUTPWCSYOGQ-YESZJQIVSA-N 1 3 341.496 0.912 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCOCCOC)C2)CC[N@H+]1C ZINC001267764320 838495272 /nfs/dbraw/zinc/49/52/72/838495272.db2.gz SNCYUTPWCSYOGQ-YESZJQIVSA-N 1 3 341.496 0.912 20 0 ECADHO CCCN(CCNC(=O)Cc1nc[nH]c1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001408879581 838912992 /nfs/dbraw/zinc/91/29/92/838912992.db2.gz ZMOWZINSCCJKCO-HNNXBMFYSA-N 1 3 349.479 0.957 20 0 ECADHO CCCN(CCNC(=O)Cc1nc[nH]c1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001408879581 838913001 /nfs/dbraw/zinc/91/30/01/838913001.db2.gz ZMOWZINSCCJKCO-HNNXBMFYSA-N 1 3 349.479 0.957 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000418880844 282116346 /nfs/dbraw/zinc/11/63/46/282116346.db2.gz WHPPOZXPPZSBLP-MRXNPFEDSA-N 1 3 346.475 0.486 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000418980009 282147733 /nfs/dbraw/zinc/14/77/33/282147733.db2.gz DTEBZPXKRUJRLE-IBGZPJMESA-N 1 3 344.459 0.576 20 0 ECADHO Cc1ccc([C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000354689331 299096751 /nfs/dbraw/zinc/09/67/51/299096751.db2.gz KLNZKEXCZLVKTR-SJORKVTESA-N 1 3 346.475 0.972 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000354689328 299097010 /nfs/dbraw/zinc/09/70/10/299097010.db2.gz KLNZKEXCZLVKTR-IAGOWNOFSA-N 1 3 346.475 0.972 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CCSC1 ZINC000424140667 209880569 /nfs/dbraw/zinc/88/05/69/209880569.db2.gz WMPIVAXITKGDMB-WFASDCNBSA-N 1 3 338.481 0.370 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000355273916 299228798 /nfs/dbraw/zinc/22/87/98/299228798.db2.gz CGIWCHROWMVLPG-LSDHHAIUSA-N 1 3 342.484 0.060 20 0 ECADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCCOCC[NH+](C)C)C[C@@H](C)C1 ZINC000490225129 291095698 /nfs/dbraw/zinc/09/56/98/291095698.db2.gz UJRWJZHMFVBGNC-JYJNAYRXSA-N 1 3 326.485 0.936 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000420324116 209353447 /nfs/dbraw/zinc/35/34/47/209353447.db2.gz ZDXBNJLYYNHTOP-FGTMMUONSA-N 1 3 330.476 0.947 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCNC[C@@H]1c1cccnc1 ZINC000420305615 209351363 /nfs/dbraw/zinc/35/13/63/209351363.db2.gz GSXVDBOTWGVNFW-OTWHNJEPSA-N 1 3 326.444 0.959 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000420082071 209300402 /nfs/dbraw/zinc/30/04/02/209300402.db2.gz PQIGYMSBRGJNOH-UHFFFAOYSA-N 1 3 338.452 0.804 20 0 ECADHO CN(C)C(=O)CCN1CCC[C@@H]([N@H+](C)CCC(=O)N(C)C)CC1 ZINC000338937974 297311228 /nfs/dbraw/zinc/31/12/28/297311228.db2.gz DVUBKSFSAMAXGU-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CN(C)C(=O)CCN1CCC[C@@H]([N@@H+](C)CCC(=O)N(C)C)CC1 ZINC000338937974 297311229 /nfs/dbraw/zinc/31/12/29/297311229.db2.gz DVUBKSFSAMAXGU-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CN(C)C(=O)CCN(C)[C@@H]1CCC[N@H+](CCC(=O)N(C)C)CC1 ZINC000338937974 297311231 /nfs/dbraw/zinc/31/12/31/297311231.db2.gz DVUBKSFSAMAXGU-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CN(C)C(=O)CCN(C)[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)CC1 ZINC000338937974 297311233 /nfs/dbraw/zinc/31/12/33/297311233.db2.gz DVUBKSFSAMAXGU-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)CN1CCN(C)CC1 ZINC000073569876 216396800 /nfs/dbraw/zinc/39/68/00/216396800.db2.gz XGHUYFUHUJFZIC-HNNXBMFYSA-N 1 3 337.512 0.796 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)C[NH3+])c1 ZINC000419942744 209255718 /nfs/dbraw/zinc/25/57/18/209255718.db2.gz OZSMRDSFEHLIBA-OAHLLOKOSA-N 1 3 334.464 0.596 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419913983 209247707 /nfs/dbraw/zinc/24/77/07/209247707.db2.gz NKRKJDFZOXVXAM-HOTGVXAUSA-N 1 3 332.448 0.745 20 0 ECADHO N[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000419907307 209246207 /nfs/dbraw/zinc/24/62/07/209246207.db2.gz BTGIGVZPWSITQX-IRXDYDNUSA-N 1 3 344.459 0.889 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419900759 209243058 /nfs/dbraw/zinc/24/30/58/209243058.db2.gz SWHNHSMCUHMXCK-UHFFFAOYSA-N 1 3 342.390 0.191 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419732374 209191888 /nfs/dbraw/zinc/19/18/88/209191888.db2.gz MKOONWSASZNKMU-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000356505277 299398298 /nfs/dbraw/zinc/39/82/98/299398298.db2.gz LWFVVKCQUHOLMB-MRXNPFEDSA-N 1 3 328.501 0.297 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000356505277 299398300 /nfs/dbraw/zinc/39/83/00/299398300.db2.gz LWFVVKCQUHOLMB-MRXNPFEDSA-N 1 3 328.501 0.297 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000356505277 299398302 /nfs/dbraw/zinc/39/83/02/299398302.db2.gz LWFVVKCQUHOLMB-MRXNPFEDSA-N 1 3 328.501 0.297 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419699614 209177760 /nfs/dbraw/zinc/17/77/60/209177760.db2.gz WRCMSSKYQPYIKJ-ZBFHGGJFSA-N 1 3 338.496 0.951 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419701382 209177569 /nfs/dbraw/zinc/17/75/69/209177569.db2.gz UCCMTFVJNFYVFJ-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1CN ZINC000419662468 209162862 /nfs/dbraw/zinc/16/28/62/209162862.db2.gz HTMNVCJYPIQGAI-GJZGRUSLSA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000419647793 209156198 /nfs/dbraw/zinc/15/61/98/209156198.db2.gz ROLZMKFHHSEHFM-MRXNPFEDSA-N 1 3 332.448 0.623 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419769228 209202036 /nfs/dbraw/zinc/20/20/36/209202036.db2.gz DLFPAWPQZOBREK-KGLIPLIRSA-N 1 3 326.485 0.857 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419638135 209153210 /nfs/dbraw/zinc/15/32/10/209153210.db2.gz ISQAYRJPWZCFHU-UHFFFAOYSA-N 1 3 334.464 0.998 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)C1=CCN(C)CC1 ZINC000419631102 209150437 /nfs/dbraw/zinc/15/04/37/209150437.db2.gz UTIDILNLHUFSMX-OAHLLOKOSA-N 1 3 344.459 0.741 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)N(C)C1CC1 ZINC000419589864 209135133 /nfs/dbraw/zinc/13/51/33/209135133.db2.gz PRXWEBJVUVWECS-CQSZACIVSA-N 1 3 332.448 0.573 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419958207 209260902 /nfs/dbraw/zinc/26/09/02/209260902.db2.gz PPLOPJUHILGQLP-LSDHHAIUSA-N 1 3 326.485 0.666 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419958207 209260907 /nfs/dbraw/zinc/26/09/07/209260907.db2.gz PPLOPJUHILGQLP-LSDHHAIUSA-N 1 3 326.485 0.666 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC(C)(C)[NH3+])c1 ZINC000420060496 209293205 /nfs/dbraw/zinc/29/32/05/209293205.db2.gz QHEVFHYWNHYXLZ-UHFFFAOYSA-N 1 3 334.464 0.739 20 0 ECADHO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[C@@H](N2CCCCC2)C1 ZINC000424141235 296279933 /nfs/dbraw/zinc/27/99/33/296279933.db2.gz CHUWEVJMNFOREM-HUUCEWRRSA-N 1 3 332.452 0.903 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCN(C)C1=O ZINC000448854949 211263337 /nfs/dbraw/zinc/26/33/37/211263337.db2.gz WTBDEMPRAPNSOV-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCN(C)C1=O ZINC000448854949 211263340 /nfs/dbraw/zinc/26/33/40/211263340.db2.gz WTBDEMPRAPNSOV-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000445931396 211126151 /nfs/dbraw/zinc/12/61/51/211126151.db2.gz BRIDEGPOSPEFPT-UHFFFAOYSA-N 1 3 336.436 0.586 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419481346 209106483 /nfs/dbraw/zinc/10/64/83/209106483.db2.gz WZKZDXIHZKELOK-VYDXJSESSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419481346 209106488 /nfs/dbraw/zinc/10/64/88/209106488.db2.gz WZKZDXIHZKELOK-VYDXJSESSA-N 1 3 346.475 0.867 20 0 ECADHO CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(C)(C)C[NH3+] ZINC000430598530 210385747 /nfs/dbraw/zinc/38/57/47/210385747.db2.gz STXWOIIZHKYXKY-UHFFFAOYSA-N 1 3 342.465 0.579 20 0 ECADHO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(C)(C)CN ZINC000430598530 210385749 /nfs/dbraw/zinc/38/57/49/210385749.db2.gz STXWOIIZHKYXKY-UHFFFAOYSA-N 1 3 342.465 0.579 20 0 ECADHO C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(C)(C)CN ZINC000430598530 210385751 /nfs/dbraw/zinc/38/57/51/210385751.db2.gz STXWOIIZHKYXKY-UHFFFAOYSA-N 1 3 342.465 0.579 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN[C@@](C)(C[NH3+])C(C)C)C1 ZINC000430560631 210381753 /nfs/dbraw/zinc/38/17/53/210381753.db2.gz WWXDJTYINAUZNB-RDJZCZTQSA-N 1 3 328.501 0.422 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+][C@@](C)(CN)C(C)C)C1 ZINC000430560631 210381757 /nfs/dbraw/zinc/38/17/57/210381757.db2.gz WWXDJTYINAUZNB-RDJZCZTQSA-N 1 3 328.501 0.422 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000420468516 209372693 /nfs/dbraw/zinc/37/26/93/209372693.db2.gz YDLFJTOBUSMECT-CYBMUJFWSA-N 1 3 331.486 0.323 20 0 ECADHO CCOC(=O)N1CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000495554234 255018860 /nfs/dbraw/zinc/01/88/60/255018860.db2.gz HJGQTRNQRYREOJ-AWEZNQCLSA-N 1 3 343.472 0.352 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000360677419 300013875 /nfs/dbraw/zinc/01/38/75/300013875.db2.gz YOOSSYZVQDPSJY-ZFWWWQNUSA-N 1 3 330.498 0.444 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419165332 209007484 /nfs/dbraw/zinc/00/74/84/209007484.db2.gz GBJMXIJWXINGLS-CVEARBPZSA-N 1 3 338.496 0.873 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000487749702 285280330 /nfs/dbraw/zinc/28/03/30/285280330.db2.gz MDNSSXKATCBUMB-IRXDYDNUSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000487749702 285280333 /nfs/dbraw/zinc/28/03/33/285280333.db2.gz MDNSSXKATCBUMB-IRXDYDNUSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000419219187 209030340 /nfs/dbraw/zinc/03/03/40/209030340.db2.gz SYPNIVKTEDBFQF-INIZCTEOSA-N 1 3 348.447 0.097 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000419198995 209021422 /nfs/dbraw/zinc/02/14/22/209021422.db2.gz DEMUQUUINCOQSE-OAHLLOKOSA-N 1 3 348.447 0.193 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000419220999 209030361 /nfs/dbraw/zinc/03/03/61/209030361.db2.gz ALSQUICETRVNOH-GDBMZVCRSA-N 1 3 332.448 0.478 20 0 ECADHO NC[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000419266109 209045507 /nfs/dbraw/zinc/04/55/07/209045507.db2.gz FVZIHIONCFXOHI-KRWDZBQOSA-N 1 3 344.459 0.752 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419225264 209032402 /nfs/dbraw/zinc/03/24/02/209032402.db2.gz GXWHGGFYEISIDE-IMJJTQAJSA-N 1 3 336.480 0.624 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419227514 209034246 /nfs/dbraw/zinc/03/42/46/209034246.db2.gz KQFMNODNKHVNSG-NVXWUHKLSA-N 1 3 346.475 0.691 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419233597 209035879 /nfs/dbraw/zinc/03/58/79/209035879.db2.gz WPACAAIACWRICW-HZPDHXFCSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC[NH2+]1 ZINC000419235051 209037168 /nfs/dbraw/zinc/03/71/68/209037168.db2.gz YMRLUAIQEGXLQE-KBMXLJTQSA-N 1 3 336.480 0.624 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419076230 287006375 /nfs/dbraw/zinc/00/63/75/287006375.db2.gz GZARAUNIPGDMKN-BZUAXINKSA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419076971 287006937 /nfs/dbraw/zinc/00/69/37/287006937.db2.gz IJTGQBCBPIKICD-HZPDHXFCSA-N 1 3 338.496 0.955 20 0 ECADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188885728 165003456 /nfs/dbraw/zinc/00/34/56/165003456.db2.gz HBJDNRRYWQJDDX-CQSZACIVSA-N 1 3 346.479 0.298 20 0 ECADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188885728 165003457 /nfs/dbraw/zinc/00/34/57/165003457.db2.gz HBJDNRRYWQJDDX-CQSZACIVSA-N 1 3 346.479 0.298 20 0 ECADHO CCC[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N(C)C ZINC000236889559 165094155 /nfs/dbraw/zinc/09/41/55/165094155.db2.gz UVHAQJNEFUSVHS-HRCADAONSA-N 1 3 338.496 0.824 20 0 ECADHO COC1CC[NH+](C(C)(C)CNC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000263241323 165428539 /nfs/dbraw/zinc/42/85/39/165428539.db2.gz LGRGSEVKRSJNLZ-HNNXBMFYSA-N 1 3 342.484 0.092 20 0 ECADHO CC[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@H](CC)CN1C(C)=O ZINC000414697128 287183041 /nfs/dbraw/zinc/18/30/41/287183041.db2.gz BMNISSGCNIICDI-GVDBMIGSSA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@H](CC)CN1C(C)=O ZINC000414697128 287183043 /nfs/dbraw/zinc/18/30/43/287183043.db2.gz BMNISSGCNIICDI-GVDBMIGSSA-N 1 3 338.496 0.905 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000419377588 209074179 /nfs/dbraw/zinc/07/41/79/209074179.db2.gz UXFWESGKMCHEKL-HOTGVXAUSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000419405473 209083435 /nfs/dbraw/zinc/08/34/35/209083435.db2.gz HQGYFHBEHFRXCB-INIZCTEOSA-N 1 3 346.475 0.822 20 0 ECADHO CC[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000123429641 222276088 /nfs/dbraw/zinc/27/60/88/222276088.db2.gz RSIQDBLPNKLCMN-OKILXGFUSA-N 1 3 328.501 0.925 20 0 ECADHO CC[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000123429641 222276090 /nfs/dbraw/zinc/27/60/90/222276090.db2.gz RSIQDBLPNKLCMN-OKILXGFUSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000331690599 296957487 /nfs/dbraw/zinc/95/74/87/296957487.db2.gz SZACCPVGCFYBBN-JYJNAYRXSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000173959923 263149735 /nfs/dbraw/zinc/14/97/35/263149735.db2.gz YWBVVFVVZCDABB-CVEARBPZSA-N 1 3 337.512 0.653 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000173959923 263149738 /nfs/dbraw/zinc/14/97/38/263149738.db2.gz YWBVVFVVZCDABB-CVEARBPZSA-N 1 3 337.512 0.653 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000174351872 263150182 /nfs/dbraw/zinc/15/01/82/263150182.db2.gz SWGWALMDTLGHOH-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000174351872 263150184 /nfs/dbraw/zinc/15/01/84/263150184.db2.gz SWGWALMDTLGHOH-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000271127743 263301207 /nfs/dbraw/zinc/30/12/07/263301207.db2.gz LZFHPGIKBLDAJV-SFHVURJKSA-N 1 3 346.475 0.651 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000271127743 263301209 /nfs/dbraw/zinc/30/12/09/263301209.db2.gz LZFHPGIKBLDAJV-SFHVURJKSA-N 1 3 346.475 0.651 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1cccc(OC)c1 ZINC000276669831 263741690 /nfs/dbraw/zinc/74/16/90/263741690.db2.gz QZJARUBBJIJMKN-OIISXLGYSA-N 1 3 335.448 0.917 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CCSC1 ZINC000276749299 263748233 /nfs/dbraw/zinc/74/82/33/263748233.db2.gz CEVUCMQCFDNISM-CJNGLKHVSA-N 1 3 337.493 0.975 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CCN(C)CC2)c1 ZINC000284938284 264260540 /nfs/dbraw/zinc/26/05/40/264260540.db2.gz QXUZATKUPZVEEK-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CCN(C)CC2)c1 ZINC000284938284 264260542 /nfs/dbraw/zinc/26/05/42/264260542.db2.gz QXUZATKUPZVEEK-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419302757 275912891 /nfs/dbraw/zinc/91/28/91/275912891.db2.gz HEVGALSDPQPJEA-OAHLLOKOSA-N 1 3 338.496 0.999 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)N1CCC(C)CC1 ZINC000419373156 275981720 /nfs/dbraw/zinc/98/17/20/275981720.db2.gz NRIVRHBDSAILQO-MRXNPFEDSA-N 1 3 338.496 0.809 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000343948670 276184638 /nfs/dbraw/zinc/18/46/38/276184638.db2.gz ZUIQYGZUTXETPF-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000358356153 276779609 /nfs/dbraw/zinc/77/96/09/276779609.db2.gz XDZKKYLEQLLPEX-HWOWSKLDSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000421210124 277382979 /nfs/dbraw/zinc/38/29/79/277382979.db2.gz ZHEHZPXQMYDJNG-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419694185 277387731 /nfs/dbraw/zinc/38/77/31/277387731.db2.gz IZQJRDUJWAUIAY-PMPSAXMXSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419692515 277388318 /nfs/dbraw/zinc/38/83/18/277388318.db2.gz GZAWPYFHHLAJMZ-CVEARBPZSA-N 1 3 338.496 0.871 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000423278475 277905159 /nfs/dbraw/zinc/90/51/59/277905159.db2.gz QZJDOZYKPSTDLP-JKSUJKDBSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418971059 278196939 /nfs/dbraw/zinc/19/69/39/278196939.db2.gz XDRNSLAFYBJFDL-HZPDHXFCSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)CN1CCN(C)CC1 ZINC000417753586 278204018 /nfs/dbraw/zinc/20/40/18/278204018.db2.gz OPVRCXDRUFUAMW-GDBMZVCRSA-N 1 3 325.501 0.687 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419585099 279268323 /nfs/dbraw/zinc/26/83/23/279268323.db2.gz LFSDXZMXLUYQSM-MJBXVCDLSA-N 1 3 340.468 0.206 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419585099 279268324 /nfs/dbraw/zinc/26/83/24/279268324.db2.gz LFSDXZMXLUYQSM-MJBXVCDLSA-N 1 3 340.468 0.206 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1=O ZINC000262702931 279305556 /nfs/dbraw/zinc/30/55/56/279305556.db2.gz BCAPZWXIYHPRAW-ZJIFWQFVSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000340212230 437601126 /nfs/dbraw/zinc/60/11/26/437601126.db2.gz BQVGCLBOEHZEGV-BZUAXINKSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000340212230 437601129 /nfs/dbraw/zinc/60/11/29/437601129.db2.gz BQVGCLBOEHZEGV-BZUAXINKSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419081207 281052550 /nfs/dbraw/zinc/05/25/50/281052550.db2.gz RGXIVIXLYRFKRR-HOTGVXAUSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000340216178 437608195 /nfs/dbraw/zinc/60/81/95/437608195.db2.gz AVDDZAPFEQVZST-CABCVRRESA-N 1 3 340.512 0.927 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418406296 281822353 /nfs/dbraw/zinc/82/23/53/281822353.db2.gz KYRKCCFEWMHARK-XHSDSOJGSA-N 1 3 326.485 0.896 20 0 ECADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419884504 289880787 /nfs/dbraw/zinc/88/07/87/289880787.db2.gz NWOQRKBKWGXKOB-MRXNPFEDSA-N 1 3 344.459 0.588 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCN1C ZINC000332485707 297044215 /nfs/dbraw/zinc/04/42/15/297044215.db2.gz NQNZXMZVHOHMQO-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCN1C ZINC000332485707 297044216 /nfs/dbraw/zinc/04/42/16/297044216.db2.gz NQNZXMZVHOHMQO-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO CC1(C)CC(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000332573249 297054058 /nfs/dbraw/zinc/05/40/58/297054058.db2.gz XGCAUVGZJVTKNP-CQSZACIVSA-N 1 3 336.480 0.718 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000332583833 297055105 /nfs/dbraw/zinc/05/51/05/297055105.db2.gz CUWDPZLUGFFHQF-QKPAOTATSA-N 1 3 336.480 0.657 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000332638348 297061685 /nfs/dbraw/zinc/06/16/85/297061685.db2.gz XVSSIIABQWUHFX-QKPAOTATSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000332638348 297061684 /nfs/dbraw/zinc/06/16/84/297061684.db2.gz XVSSIIABQWUHFX-QKPAOTATSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332977956 297096267 /nfs/dbraw/zinc/09/62/67/297096267.db2.gz SADJNKSUYZLMRF-IKGGRYGDSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332977956 297096268 /nfs/dbraw/zinc/09/62/68/297096268.db2.gz SADJNKSUYZLMRF-IKGGRYGDSA-N 1 3 337.512 0.938 20 0 ECADHO O[C@H](CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333333333 297125664 /nfs/dbraw/zinc/12/56/64/297125664.db2.gz CZYVVMDXJHALBD-AVBQZKFLSA-N 1 3 338.492 0.533 20 0 ECADHO O[C@H](CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333333333 297125665 /nfs/dbraw/zinc/12/56/65/297125665.db2.gz CZYVVMDXJHALBD-AVBQZKFLSA-N 1 3 338.492 0.533 20 0 ECADHO O[C@@H](CN1C[C@@H]2CC[C@H](O)C[C@H]2C1)C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000333333333 297125668 /nfs/dbraw/zinc/12/56/68/297125668.db2.gz CZYVVMDXJHALBD-AVBQZKFLSA-N 1 3 338.492 0.533 20 0 ECADHO O[C@@H](CN1C[C@@H]2CC[C@H](O)C[C@H]2C1)C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000333333333 297125670 /nfs/dbraw/zinc/12/56/70/297125670.db2.gz CZYVVMDXJHALBD-AVBQZKFLSA-N 1 3 338.492 0.533 20 0 ECADHO C[C@@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1=CCN(C)CC1 ZINC000333585856 297143275 /nfs/dbraw/zinc/14/32/75/297143275.db2.gz OLWJSEFEFOZHNQ-UHOFOFEASA-N 1 3 332.452 0.507 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)C[C@@H](C)O1 ZINC000333822774 297150879 /nfs/dbraw/zinc/15/08/79/297150879.db2.gz LCYWLHCAXQHVNU-ZLVKTETGSA-N 1 3 336.480 0.735 20 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ZINC000362565345 300199373 /nfs/dbraw/zinc/19/93/73/300199373.db2.gz BAZLWRQVQDBCGM-CABCVRRESA-N 1 3 348.495 0.490 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000363581405 300277626 /nfs/dbraw/zinc/27/76/26/300277626.db2.gz XPCIQACLTLNVBL-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO CCN1CCO[C@@H](C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000074676305 436137577 /nfs/dbraw/zinc/13/75/77/436137577.db2.gz OHLYVHLSQOGTCR-MRXNPFEDSA-N 1 3 326.485 0.192 20 0 ECADHO CCN1CCO[C@@H](C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000074676305 436137584 /nfs/dbraw/zinc/13/75/84/436137584.db2.gz OHLYVHLSQOGTCR-MRXNPFEDSA-N 1 3 326.485 0.192 20 0 ECADHO CCN1CCO[C@@H](C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000074676305 436137589 /nfs/dbraw/zinc/13/75/89/436137589.db2.gz OHLYVHLSQOGTCR-MRXNPFEDSA-N 1 3 326.485 0.192 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1[C@H]2COC[C@H]21 ZINC000377298518 301337873 /nfs/dbraw/zinc/33/78/73/301337873.db2.gz UCANHDGHSJYRPC-VQHPVUNQSA-N 1 3 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301386953 /nfs/dbraw/zinc/38/69/53/301386953.db2.gz MWPADYBNQFNVBY-HUUCEWRRSA-N 1 3 328.457 0.117 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377879634 301386954 /nfs/dbraw/zinc/38/69/54/301386954.db2.gz MWPADYBNQFNVBY-HUUCEWRRSA-N 1 3 328.457 0.117 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000079072928 436288712 /nfs/dbraw/zinc/28/87/12/436288712.db2.gz UDZTXVIXYBWODN-CQSZACIVSA-N 1 3 341.500 0.521 20 0 ECADHO C[C@H](CN1CCCC1=O)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077783239 436252198 /nfs/dbraw/zinc/25/21/98/436252198.db2.gz UDLXLAPPGJMHPM-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)N1CCOCC1 ZINC000077822331 436255243 /nfs/dbraw/zinc/25/52/43/436255243.db2.gz IGTHMSGGYXKUCR-HZPDHXFCSA-N 1 3 343.516 0.230 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)nn1 ZINC000514671767 301612132 /nfs/dbraw/zinc/61/21/32/301612132.db2.gz FCFJWAPQYJTYBI-HOTGVXAUSA-N 1 3 346.410 0.782 20 0 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436630534 /nfs/dbraw/zinc/63/05/34/436630534.db2.gz KRHBODMJWUVXFK-RWGICRFRSA-N 1 3 336.480 0.714 20 0 ECADHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C/C=C/CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000111219545 436630536 /nfs/dbraw/zinc/63/05/36/436630536.db2.gz KRHBODMJWUVXFK-RWGICRFRSA-N 1 3 336.480 0.714 20 0 ECADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000537717864 302154642 /nfs/dbraw/zinc/15/46/42/302154642.db2.gz BZBCKDPYIQAXTF-RDJZCZTQSA-N 1 3 341.496 0.839 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000540960687 302181436 /nfs/dbraw/zinc/18/14/36/302181436.db2.gz NCWOXBLYPJWHSN-AWEZNQCLSA-N 1 3 339.484 0.132 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000137444305 436658137 /nfs/dbraw/zinc/65/81/37/436658137.db2.gz AABCFYPEXGUCHU-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000137444305 436658143 /nfs/dbraw/zinc/65/81/43/436658143.db2.gz AABCFYPEXGUCHU-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000236942451 436719964 /nfs/dbraw/zinc/71/99/64/436719964.db2.gz FZZZNTDDEBDHMK-SFHVURJKSA-N 1 3 330.476 0.845 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000238053258 436753532 /nfs/dbraw/zinc/75/35/32/436753532.db2.gz MWVGTBNVLQHANI-KRWDZBQOSA-N 1 3 344.459 0.880 20 0 ECADHO CC(C)[C@H]1CN(C)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000156029460 436809043 /nfs/dbraw/zinc/80/90/43/436809043.db2.gz CLXWCFTZMMRICV-QGZVFWFLSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000156111557 436810272 /nfs/dbraw/zinc/81/02/72/436810272.db2.gz PHEFSEPDFVCWKN-CVEARBPZSA-N 1 3 346.479 0.588 20 0 ECADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000156111557 436810275 /nfs/dbraw/zinc/81/02/75/436810275.db2.gz PHEFSEPDFVCWKN-CVEARBPZSA-N 1 3 346.479 0.588 20 0 ECADHO C[C@@H]1C[C@H](NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000156111313 436810535 /nfs/dbraw/zinc/81/05/35/436810535.db2.gz PHEFSEPDFVCWKN-HZPDHXFCSA-N 1 3 346.479 0.588 20 0 ECADHO C[C@@H]1C[C@H](NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000156111313 436810536 /nfs/dbraw/zinc/81/05/36/436810536.db2.gz PHEFSEPDFVCWKN-HZPDHXFCSA-N 1 3 346.479 0.588 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000128068109 436811608 /nfs/dbraw/zinc/81/16/08/436811608.db2.gz UFYOHGWEPPZUOB-DLBZAZTESA-N 1 3 348.491 0.626 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)CC1 ZINC000125490689 436771474 /nfs/dbraw/zinc/77/14/74/436771474.db2.gz PIOWNFWNODIENE-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CO)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154331172 436776160 /nfs/dbraw/zinc/77/61/60/436776160.db2.gz BMCUUIRRFVFDQC-UONOGXRCSA-N 1 3 326.485 0.861 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000246664135 436783388 /nfs/dbraw/zinc/78/33/88/436783388.db2.gz UOMCBXBMTCTAKE-NVXWUHKLSA-N 1 3 328.501 0.966 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000246664135 436783390 /nfs/dbraw/zinc/78/33/90/436783390.db2.gz UOMCBXBMTCTAKE-NVXWUHKLSA-N 1 3 328.501 0.966 20 0 ECADHO COC[C@](C)(CCO)NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274157885 436802468 /nfs/dbraw/zinc/80/24/68/436802468.db2.gz YYTSPHNMENDSOI-WMZOPIPTSA-N 1 3 337.464 0.783 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000129312026 436825652 /nfs/dbraw/zinc/82/56/52/436825652.db2.gz BIUAOXHTFVGEEI-INIZCTEOSA-N 1 3 338.496 0.241 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000252442184 436832219 /nfs/dbraw/zinc/83/22/19/436832219.db2.gz QPHOZKXZCUEKHS-HZPDHXFCSA-N 1 3 342.484 0.507 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000252442184 436832221 /nfs/dbraw/zinc/83/22/21/436832221.db2.gz QPHOZKXZCUEKHS-HZPDHXFCSA-N 1 3 342.484 0.507 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000261604034 436879181 /nfs/dbraw/zinc/87/91/81/436879181.db2.gz CGBNGEZZSLNXNS-GOEBONIOSA-N 1 3 330.432 0.727 20 0 ECADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000263315508 436962566 /nfs/dbraw/zinc/96/25/66/436962566.db2.gz ZKBNYNYKGRIFBL-CRAIPNDOSA-N 1 3 336.480 0.661 20 0 ECADHO Cc1c(C(=O)N(C)C[C@@H]2CCCN(C)C2)nnn1C1CC[NH2+]CC1 ZINC000165319336 436936596 /nfs/dbraw/zinc/93/65/96/436936596.db2.gz SLKPDJWMDNULBN-CQSZACIVSA-N 1 3 334.468 0.925 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000263178994 436954556 /nfs/dbraw/zinc/95/45/56/436954556.db2.gz GMVBSALALRPWRR-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO [NH3+]CC1CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CC1 ZINC000423223135 303371350 /nfs/dbraw/zinc/37/13/50/303371350.db2.gz DYSMKDANUXDNKO-MRXNPFEDSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000331511237 437110165 /nfs/dbraw/zinc/11/01/65/437110165.db2.gz RDUKYEOJLZVVGG-HZPDHXFCSA-N 1 3 337.512 0.962 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000331511237 437110169 /nfs/dbraw/zinc/11/01/69/437110169.db2.gz RDUKYEOJLZVVGG-HZPDHXFCSA-N 1 3 337.512 0.962 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCC3)CC[C@H]21 ZINC000331688848 437144828 /nfs/dbraw/zinc/14/48/28/437144828.db2.gz UFHCNJRCKGVFBS-OWCLPIDISA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCC3)CC[C@H]21 ZINC000331688848 437144830 /nfs/dbraw/zinc/14/48/30/437144830.db2.gz UFHCNJRCKGVFBS-OWCLPIDISA-N 1 3 336.480 0.563 20 0 ECADHO CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000287586833 437207899 /nfs/dbraw/zinc/20/78/99/437207899.db2.gz NVQJIYPSIYGKLW-KRWDZBQOSA-N 1 3 346.475 0.787 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000278281683 437298829 /nfs/dbraw/zinc/29/88/29/437298829.db2.gz QDOZLHWVPTYNGN-MRXNPFEDSA-N 1 3 335.452 0.074 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000183250950 437380594 /nfs/dbraw/zinc/38/05/94/437380594.db2.gz RJJSZZHBUNRZNF-HOTGVXAUSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000183250950 437380599 /nfs/dbraw/zinc/38/05/99/437380599.db2.gz RJJSZZHBUNRZNF-HOTGVXAUSA-N 1 3 337.512 0.891 20 0 ECADHO CCCN1CCC([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000183293225 437382408 /nfs/dbraw/zinc/38/24/08/437382408.db2.gz OFJMOXDHOGNOCW-KRWDZBQOSA-N 1 3 338.496 0.384 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000269264599 437476961 /nfs/dbraw/zinc/47/69/61/437476961.db2.gz YGPHGLMBNKGFIE-SJORKVTESA-N 1 3 346.475 0.615 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000269264599 437476965 /nfs/dbraw/zinc/47/69/65/437476965.db2.gz YGPHGLMBNKGFIE-SJORKVTESA-N 1 3 346.475 0.615 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339963357 437529213 /nfs/dbraw/zinc/52/92/13/437529213.db2.gz GKPQTWODXWHFQY-AWEZNQCLSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(F)cc1 ZINC000360206867 437557303 /nfs/dbraw/zinc/55/73/03/437557303.db2.gz CKFGHPAPSKNDBK-SJORKVTESA-N 1 3 334.439 0.935 20 0 ECADHO CN(C)C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(F)cc1 ZINC000360206867 437557307 /nfs/dbraw/zinc/55/73/07/437557307.db2.gz CKFGHPAPSKNDBK-SJORKVTESA-N 1 3 334.439 0.935 20 0 ECADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000360219915 437559639 /nfs/dbraw/zinc/55/96/39/437559639.db2.gz XATRZKYTLPCJMG-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000360219915 437559644 /nfs/dbraw/zinc/55/96/44/437559644.db2.gz XATRZKYTLPCJMG-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CN2CCN1CCC2 ZINC000343683569 437628125 /nfs/dbraw/zinc/62/81/25/437628125.db2.gz WZUBJOOBUSPPFQ-MRXNPFEDSA-N 1 3 336.480 0.138 20 0 ECADHO CN1CC=C(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000343701449 437632076 /nfs/dbraw/zinc/63/20/76/437632076.db2.gz VUEIUPUDNUEOBM-HNNXBMFYSA-N 1 3 337.468 0.135 20 0 ECADHO CN1CC=C(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000343701449 437632079 /nfs/dbraw/zinc/63/20/79/437632079.db2.gz VUEIUPUDNUEOBM-HNNXBMFYSA-N 1 3 337.468 0.135 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340479524 437662481 /nfs/dbraw/zinc/66/24/81/437662481.db2.gz RROAYDTXYJOCCI-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340479524 437662488 /nfs/dbraw/zinc/66/24/88/437662488.db2.gz RROAYDTXYJOCCI-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340486629 437667970 /nfs/dbraw/zinc/66/79/70/437667970.db2.gz SZBLTSNJZQRNKU-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340486629 437667975 /nfs/dbraw/zinc/66/79/75/437667975.db2.gz SZBLTSNJZQRNKU-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000340507418 437678444 /nfs/dbraw/zinc/67/84/44/437678444.db2.gz UJKXJWQTIOUPBE-CJNGLKHVSA-N 1 3 336.480 0.576 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccc1OCCN(C)C ZINC000415277061 437771853 /nfs/dbraw/zinc/77/18/53/437771853.db2.gz XUDCYJHAYYDXEL-CQSZACIVSA-N 1 3 348.447 0.824 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)ccc1OCCN(C)C ZINC000415277059 437772065 /nfs/dbraw/zinc/77/20/65/437772065.db2.gz XUDCYJHAYYDXEL-AWEZNQCLSA-N 1 3 348.447 0.824 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000415278101 437773266 /nfs/dbraw/zinc/77/32/66/437773266.db2.gz ZIHREEJPZOJUSG-AWEZNQCLSA-N 1 3 348.447 0.824 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000362791579 437754493 /nfs/dbraw/zinc/75/44/93/437754493.db2.gz YKJDGMCUQOQCDH-RHSMWYFYSA-N 1 3 346.475 0.792 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000362791579 437754496 /nfs/dbraw/zinc/75/44/96/437754496.db2.gz YKJDGMCUQOQCDH-RHSMWYFYSA-N 1 3 346.475 0.792 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423747222 437824182 /nfs/dbraw/zinc/82/41/82/437824182.db2.gz SHGKIJBTJOIDLW-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000415291228 437776071 /nfs/dbraw/zinc/77/60/71/437776071.db2.gz GBWLIARGEBHPNV-CQSZACIVSA-N 1 3 345.447 0.327 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCC[NH3+])cc2)CC1 ZINC000415294196 437777096 /nfs/dbraw/zinc/77/70/96/437777096.db2.gz PRKWBXGDDMOGFN-UHFFFAOYSA-N 1 3 347.463 0.228 20 0 ECADHO CCN(CCCO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341084758 437788360 /nfs/dbraw/zinc/78/83/60/437788360.db2.gz LESCGHLWJFCXBW-UHFFFAOYSA-N 1 3 326.485 0.959 20 0 ECADHO C[C@@H]1CCN(C)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341151643 437804006 /nfs/dbraw/zinc/80/40/06/437804006.db2.gz ARPCPRSDMYCXKU-CABCVRRESA-N 1 3 339.484 0.309 20 0 ECADHO C[C@@H]1CCN(C)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000341151643 437804011 /nfs/dbraw/zinc/80/40/11/437804011.db2.gz ARPCPRSDMYCXKU-CABCVRRESA-N 1 3 339.484 0.309 20 0 ECADHO CN(CCN)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423708975 437808673 /nfs/dbraw/zinc/80/86/73/437808673.db2.gz NPALEMAEOGABPQ-LJQANCHMSA-N 1 3 344.459 0.528 20 0 ECADHO CN(CCN)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423708975 437808678 /nfs/dbraw/zinc/80/86/78/437808678.db2.gz NPALEMAEOGABPQ-LJQANCHMSA-N 1 3 344.459 0.528 20 0 ECADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000370650648 437814465 /nfs/dbraw/zinc/81/44/65/437814465.db2.gz FGPIROPBWXAHDB-ZACQAIPSSA-N 1 3 338.496 0.239 20 0 ECADHO COCCOc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347134463 437838677 /nfs/dbraw/zinc/83/86/77/437838677.db2.gz RZPPPLGFHOBCGE-MRXNPFEDSA-N 1 3 335.448 0.999 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000415772402 437856595 /nfs/dbraw/zinc/85/65/95/437856595.db2.gz TZZKIGHRYJELJF-GDBMZVCRSA-N 1 3 330.432 0.897 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])ccc1OCCN(C)C ZINC000415807856 437861644 /nfs/dbraw/zinc/86/16/44/437861644.db2.gz NHDYPVRNZICQFX-CHWSQXEVSA-N 1 3 336.436 0.726 20 0 ECADHO CNC(=O)C[C@@H](C)N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347259350 437863599 /nfs/dbraw/zinc/86/35/99/437863599.db2.gz DECBSHCRPMBPKI-GDBMZVCRSA-N 1 3 334.464 0.390 20 0 ECADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357094423 437914363 /nfs/dbraw/zinc/91/43/63/437914363.db2.gz ZPBCDHKGNXBGFX-BBRMVZONSA-N 1 3 336.480 0.420 20 0 ECADHO CN(CC(=O)NCC(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304701 437915696 /nfs/dbraw/zinc/91/56/96/437915696.db2.gz JUGQILMCBGZMMC-CYBMUJFWSA-N 1 3 336.402 0.765 20 0 ECADHO N[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1F ZINC000424033250 437881805 /nfs/dbraw/zinc/88/18/05/437881805.db2.gz XQVNKZBRWTYYJD-NUEKZKHPSA-N 1 3 348.422 0.337 20 0 ECADHO CCN1CCN(CCNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424437018 437934243 /nfs/dbraw/zinc/93/42/43/437934243.db2.gz IDXHXGGSGJZLGH-UHFFFAOYSA-N 1 3 347.463 0.146 20 0 ECADHO COc1ccc([C@H]2[C@H](CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CCCN2C)cc1 ZINC000365331706 437897013 /nfs/dbraw/zinc/89/70/13/437897013.db2.gz PLXYEMWDLPUZDO-ONIAQPFYSA-N 1 3 347.459 0.917 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CN(C)[C@H]1CCSC1 ZINC000347531711 437905886 /nfs/dbraw/zinc/90/58/86/437905886.db2.gz VMKPCNUFFCJJJS-INIZCTEOSA-N 1 3 342.553 0.908 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CN(C)[C@H]1CCSC1 ZINC000347531711 437905892 /nfs/dbraw/zinc/90/58/92/437905892.db2.gz VMKPCNUFFCJJJS-INIZCTEOSA-N 1 3 342.553 0.908 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CN(C)[C@H]1CCSC1 ZINC000347531711 437905897 /nfs/dbraw/zinc/90/58/97/437905897.db2.gz VMKPCNUFFCJJJS-INIZCTEOSA-N 1 3 342.553 0.908 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424454475 437941040 /nfs/dbraw/zinc/94/10/40/437941040.db2.gz LWYVVXPWHRRZFC-UHFFFAOYSA-N 1 3 336.436 0.429 20 0 ECADHO CC(C)CN1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000357243848 437942749 /nfs/dbraw/zinc/94/27/49/437942749.db2.gz RLHMDARECVUXGN-AWEZNQCLSA-N 1 3 345.509 0.247 20 0 ECADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000357354093 437968420 /nfs/dbraw/zinc/96/84/20/437968420.db2.gz FWFDRHKMVBNGDH-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)N[C@H](C)C[NH3+])cc2)CC1 ZINC000416999085 438013161 /nfs/dbraw/zinc/01/31/61/438013161.db2.gz XPTCYCHTYFNAIL-OAHLLOKOSA-N 1 3 333.480 0.971 20 0 ECADHO [NH3+][C@@H]1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000417033945 438015474 /nfs/dbraw/zinc/01/54/74/438015474.db2.gz ZZAZDTLAJQRGNF-GOSISDBHSA-N 1 3 345.491 0.937 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417201925 438030953 /nfs/dbraw/zinc/03/09/53/438030953.db2.gz WVNPDBDECNAJJW-IRXDYDNUSA-N 1 3 333.480 0.362 20 0 ECADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3(N)Cc4ccccc4C3)CC2)C1 ZINC000372099515 438033892 /nfs/dbraw/zinc/03/38/92/438033892.db2.gz VRTVUORNSFFJGQ-GOSISDBHSA-N 1 3 342.487 0.721 20 0 ECADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3(N)Cc4ccccc4C3)CC2)C1 ZINC000372099515 438033894 /nfs/dbraw/zinc/03/38/94/438033894.db2.gz VRTVUORNSFFJGQ-GOSISDBHSA-N 1 3 342.487 0.721 20 0 ECADHO CCN1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000366192760 438034653 /nfs/dbraw/zinc/03/46/53/438034653.db2.gz WVCRLRUTSJXYMA-QGZVFWFLSA-N 1 3 338.496 0.384 20 0 ECADHO CCN1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000366192760 438034657 /nfs/dbraw/zinc/03/46/57/438034657.db2.gz WVCRLRUTSJXYMA-QGZVFWFLSA-N 1 3 338.496 0.384 20 0 ECADHO [NH3+]CCCCNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417362537 438042970 /nfs/dbraw/zinc/04/29/70/438042970.db2.gz DSPIGSSQCQVUCE-UHFFFAOYSA-N 1 3 334.468 0.632 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000417419226 438047916 /nfs/dbraw/zinc/04/79/16/438047916.db2.gz CRIFHOZOIQLOSN-CABCVRRESA-N 1 3 339.484 0.323 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000348015286 437998763 /nfs/dbraw/zinc/99/87/63/437998763.db2.gz NMFYNXDITDIDCZ-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348014429 437999752 /nfs/dbraw/zinc/99/97/52/437999752.db2.gz MSDTWGBSLNGJFS-PMPSAXMXSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348014429 437999756 /nfs/dbraw/zinc/99/97/56/437999756.db2.gz MSDTWGBSLNGJFS-PMPSAXMXSA-N 1 3 338.496 0.966 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416982411 438011401 /nfs/dbraw/zinc/01/14/01/438011401.db2.gz WLLKJQZUXSGBNL-UHFFFAOYSA-N 1 3 334.464 0.656 20 0 ECADHO C[C@H]1NCCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H]1C ZINC000417951845 438095479 /nfs/dbraw/zinc/09/54/79/438095479.db2.gz NMKQWJVHXKDNTF-KGLIPLIRSA-N 1 3 335.452 0.914 20 0 ECADHO COCCCNC(=O)[C@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372367660 438079858 /nfs/dbraw/zinc/07/98/58/438079858.db2.gz HDAUPIVBBFXNAU-RDJZCZTQSA-N 1 3 340.512 0.628 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[C@@H](CC[NH3+])C2)CC1(C)C ZINC000418156538 438112926 /nfs/dbraw/zinc/11/29/26/438112926.db2.gz ATOZKDAOWRQBBJ-HNNXBMFYSA-N 1 3 325.501 0.783 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000357976451 438113524 /nfs/dbraw/zinc/11/35/24/438113524.db2.gz PWKDAUJMFAJGBX-HOTGVXAUSA-N 1 3 327.517 0.898 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000357976451 438113529 /nfs/dbraw/zinc/11/35/29/438113529.db2.gz PWKDAUJMFAJGBX-HOTGVXAUSA-N 1 3 327.517 0.898 20 0 ECADHO CC(C)N(C(=O)[C@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000430610878 438115404 /nfs/dbraw/zinc/11/54/04/438115404.db2.gz MBKYEKGRAHCCIJ-GJZGRUSLSA-N 1 3 326.485 0.807 20 0 ECADHO Cc1nccn1CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000357983601 438116983 /nfs/dbraw/zinc/11/69/83/438116983.db2.gz UAMPDVNDIHRFRW-CQSZACIVSA-N 1 3 335.452 0.544 20 0 ECADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000430878086 438128130 /nfs/dbraw/zinc/12/81/30/438128130.db2.gz GZVVSACZYIITMF-UKRRQHHQSA-N 1 3 330.432 0.932 20 0 ECADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418289637 438125414 /nfs/dbraw/zinc/12/54/14/438125414.db2.gz OZQDRIRNURONFD-BBWFWOEESA-N 1 3 337.512 0.653 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)c3csc(CN)n3)CC2)CC1 ZINC000431049319 438143760 /nfs/dbraw/zinc/14/37/60/438143760.db2.gz ILCQFTXZBLJAEK-UHFFFAOYSA-N 1 3 337.493 0.890 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418462503 438146419 /nfs/dbraw/zinc/14/64/19/438146419.db2.gz BNCCATSWXGIRAH-DJIMGWMZSA-N 1 3 334.464 0.763 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000418460897 438146939 /nfs/dbraw/zinc/14/69/39/438146939.db2.gz IEQGRCMGGMYRTQ-OAHLLOKOSA-N 1 3 341.500 0.700 20 0 ECADHO C[C@@H](NC(=O)N(C)CCCN1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC000358090065 438148445 /nfs/dbraw/zinc/14/84/45/438148445.db2.gz HHWSZQFRWMPGSR-MRXNPFEDSA-N 1 3 337.512 0.916 20 0 ECADHO C[C@@H](NC(=O)N(C)CCCN1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000358090065 438148451 /nfs/dbraw/zinc/14/84/51/438148451.db2.gz HHWSZQFRWMPGSR-MRXNPFEDSA-N 1 3 337.512 0.916 20 0 ECADHO [NH3+]C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000418477723 438148833 /nfs/dbraw/zinc/14/88/33/438148833.db2.gz UTQJEWBPWKSIOQ-KURKYZTESA-N 1 3 346.475 0.906 20 0 ECADHO C[C@H](NC(=O)N(C)CCCN1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC000358090064 438149528 /nfs/dbraw/zinc/14/95/28/438149528.db2.gz HHWSZQFRWMPGSR-INIZCTEOSA-N 1 3 337.512 0.916 20 0 ECADHO C[C@H](NC(=O)N(C)CCCN1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000358090064 438149531 /nfs/dbraw/zinc/14/95/31/438149531.db2.gz HHWSZQFRWMPGSR-INIZCTEOSA-N 1 3 337.512 0.916 20 0 ECADHO C[C@H](CCC[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418696772 438175637 /nfs/dbraw/zinc/17/56/37/438175637.db2.gz FEMJOCQSLZAMKD-CQSZACIVSA-N 1 3 327.473 0.405 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418751619 438182161 /nfs/dbraw/zinc/18/21/61/438182161.db2.gz RLNJKWRFXPGHMO-HOTGVXAUSA-N 1 3 326.485 0.911 20 0 ECADHO CC(C)C[C@H](NC(=O)NCC1([NH3+])CCC1)C(=O)NCCN(C)C ZINC000418518269 438154277 /nfs/dbraw/zinc/15/42/77/438154277.db2.gz LCKVSXNRSKHJQR-ZDUSSCGKSA-N 1 3 327.473 0.260 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418624136 438169271 /nfs/dbraw/zinc/16/92/71/438169271.db2.gz OUNRGDYAUFJNNZ-HOCLYGCPSA-N 1 3 325.501 0.829 20 0 ECADHO COC[C@@]1(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)CCC[NH2+]1 ZINC000418639080 438170625 /nfs/dbraw/zinc/17/06/25/438170625.db2.gz PFOJAZYCHLGJCU-WBVHZDCISA-N 1 3 342.484 0.507 20 0 ECADHO CC(C)(CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)N1CCCCC1 ZINC000418846390 438214313 /nfs/dbraw/zinc/21/43/13/438214313.db2.gz XZXVTFYDWSAVDF-UHFFFAOYSA-N 1 3 336.480 0.793 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000418882834 438234240 /nfs/dbraw/zinc/23/42/40/438234240.db2.gz ZNGWOIQDCUWVBU-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000418909473 438244314 /nfs/dbraw/zinc/24/43/14/438244314.db2.gz JETGFLQHUXKZNO-GXTWGEPZSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418832840 438205261 /nfs/dbraw/zinc/20/52/61/438205261.db2.gz HPNDABLQJSBTSW-OIISXLGYSA-N 1 3 346.475 0.471 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418937571 438256246 /nfs/dbraw/zinc/25/62/46/438256246.db2.gz CVMCLBQOYFUUFB-CABCVRRESA-N 1 3 334.464 0.737 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)N(C)Cc1ccccc1 ZINC000418949886 438261662 /nfs/dbraw/zinc/26/16/62/438261662.db2.gz QEWXEWSDXBNYCX-UXLLHSPISA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N(C)Cc1ccccc1 ZINC000418946602 438262366 /nfs/dbraw/zinc/26/23/66/438262366.db2.gz NHSVTZIRKAKXJW-HLLBOEOZSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000418961902 438267080 /nfs/dbraw/zinc/26/70/80/438267080.db2.gz KEIGFSUIABGXOT-OAHLLOKOSA-N 1 3 346.475 0.834 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418982819 438271642 /nfs/dbraw/zinc/27/16/42/438271642.db2.gz IWKNJSDSXCVKSB-UHFFFAOYSA-N 1 3 332.448 0.623 20 0 ECADHO CC1=CCN(CCNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000358652877 438274194 /nfs/dbraw/zinc/27/41/94/438274194.db2.gz UDQCICIKIUARMA-UHFFFAOYSA-N 1 3 337.512 0.964 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000418991109 438274605 /nfs/dbraw/zinc/27/46/05/438274605.db2.gz DNSCJLNJNFTCKN-HZPDHXFCSA-N 1 3 338.496 0.810 20 0 ECADHO CN(CCCNC(=O)C(=O)N1CCC([NH3+])CC1)Cc1ccccc1 ZINC000418992481 438274776 /nfs/dbraw/zinc/27/47/76/438274776.db2.gz GBGNKHAZAQALKU-UHFFFAOYSA-N 1 3 332.448 0.574 20 0 ECADHO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000358661333 438276446 /nfs/dbraw/zinc/27/64/46/438276446.db2.gz JRWUMMWCJSDZOM-WMZOPIPTSA-N 1 3 332.448 0.627 20 0 ECADHO C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000358661333 438276449 /nfs/dbraw/zinc/27/64/49/438276449.db2.gz JRWUMMWCJSDZOM-WMZOPIPTSA-N 1 3 332.448 0.627 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000418997142 438276567 /nfs/dbraw/zinc/27/65/67/438276567.db2.gz OGWCDIOTSGVAGT-YOEHRIQHSA-N 1 3 346.475 0.950 20 0 ECADHO CN(CCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)Cc1ccccc1 ZINC000418993592 438277488 /nfs/dbraw/zinc/27/74/88/438277488.db2.gz HENNFDISXPBJHG-QGZVFWFLSA-N 1 3 346.475 0.883 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000419006536 438284387 /nfs/dbraw/zinc/28/43/87/438284387.db2.gz WRHQQVNHZHUMFP-OAHLLOKOSA-N 1 3 346.475 0.870 20 0 ECADHO CN(CCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000419010579 438285283 /nfs/dbraw/zinc/28/52/83/438285283.db2.gz YUVNSUOGAULNQH-MRXNPFEDSA-N 1 3 332.448 0.493 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419022312 438290225 /nfs/dbraw/zinc/29/02/25/438290225.db2.gz IDKDIQGOPPKLBE-SOUVJXGZSA-N 1 3 326.485 0.537 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000419024019 438293968 /nfs/dbraw/zinc/29/39/68/438293968.db2.gz XAZDEIXZZQPRTP-HNNXBMFYSA-N 1 3 346.475 1.000 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419027228 438295551 /nfs/dbraw/zinc/29/55/51/438295551.db2.gz OCGDFZBTVWOHGQ-ZNMIVQPWSA-N 1 3 326.485 0.585 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)NCCNc2cc[nH+]cc2)CCCO1 ZINC000433453590 438251631 /nfs/dbraw/zinc/25/16/31/438251631.db2.gz ZYAXZTAXVKJTKG-OAHLLOKOSA-N 1 3 335.452 0.716 20 0 ECADHO CCN(CCO)CCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433462135 438252427 /nfs/dbraw/zinc/25/24/27/438252427.db2.gz XYWWTFKEXOFCLV-OAHLLOKOSA-N 1 3 330.473 0.101 20 0 ECADHO CCN(CCO)CCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433462135 438252431 /nfs/dbraw/zinc/25/24/31/438252431.db2.gz XYWWTFKEXOFCLV-OAHLLOKOSA-N 1 3 330.473 0.101 20 0 ECADHO CC1CCN([C@@H](CNC(=O)C(=O)NCC[NH3+])c2ccccc2)CC1 ZINC000418929362 438253041 /nfs/dbraw/zinc/25/30/41/438253041.db2.gz FDDKTEWGMVXDHC-INIZCTEOSA-N 1 3 332.448 0.651 20 0 ECADHO C[C@](C[NH3+])(NCCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000433492934 438253217 /nfs/dbraw/zinc/25/32/17/438253217.db2.gz HFPRJFVPBDWGRE-QGZVFWFLSA-N 1 3 332.452 0.232 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419132262 438337616 /nfs/dbraw/zinc/33/76/16/438337616.db2.gz DTUNECKXBYWSEQ-STQMWFEESA-N 1 3 338.477 0.540 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419032128 438297809 /nfs/dbraw/zinc/29/78/09/438297809.db2.gz JHZDSIXCQUNBMJ-UHFFFAOYSA-N 1 3 342.509 0.190 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000419555747 438363314 /nfs/dbraw/zinc/36/33/14/438363314.db2.gz HUGDHYCDOUJZQN-OUCADQQQSA-N 1 3 338.477 0.711 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1CN ZINC000419649585 438364742 /nfs/dbraw/zinc/36/47/42/438364742.db2.gz UBWYUVJYODFECM-XJKSGUPXSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1=O ZINC000378226395 438364967 /nfs/dbraw/zinc/36/49/67/438364967.db2.gz LJXYRLQAJHJBHM-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000419761510 438372204 /nfs/dbraw/zinc/37/22/04/438372204.db2.gz KGXAXPKTQHQVLP-INIZCTEOSA-N 1 3 332.448 0.430 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000419849760 438373604 /nfs/dbraw/zinc/37/36/04/438373604.db2.gz ZMAJINBRXKQOQU-UHFFFAOYSA-N 1 3 338.427 0.442 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352097654 438382734 /nfs/dbraw/zinc/38/27/34/438382734.db2.gz VCYYTBPIQQVJNF-BFYDXBDKSA-N 1 3 340.512 0.960 20 0 ECADHO C[NH+](C)CCN1C[C@H](C(=O)Nc2cnc3c(c2)CNCC3)CC1=O ZINC000378407244 438384333 /nfs/dbraw/zinc/38/43/33/438384333.db2.gz ULAXKAFMFPVTJU-CYBMUJFWSA-N 1 3 331.420 0.076 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420064897 438385741 /nfs/dbraw/zinc/38/57/41/438385741.db2.gz PCKGXUIXBPEVDO-GXTWGEPZSA-N 1 3 340.468 0.205 20 0 ECADHO O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391003949 438436571 /nfs/dbraw/zinc/43/65/71/438436571.db2.gz GPHAZFFPOUMBKK-QZTJIDSGSA-N 1 3 347.459 0.772 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC3(CCC[N@@H+]3C)CC2)CC1=O ZINC000378525114 438396213 /nfs/dbraw/zinc/39/62/13/438396213.db2.gz YXIRMZWWSUEDIP-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC3(CCC[N@H+]3C)CC2)CC1=O ZINC000378525114 438396214 /nfs/dbraw/zinc/39/62/14/438396214.db2.gz YXIRMZWWSUEDIP-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000359266075 438398789 /nfs/dbraw/zinc/39/87/89/438398789.db2.gz SGKCTSBHAQNESJ-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000359266075 438398791 /nfs/dbraw/zinc/39/87/91/438398791.db2.gz SGKCTSBHAQNESJ-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)C(=O)NCCC1CC[NH+](CC)CC1)C1CC1 ZINC000359281155 438404047 /nfs/dbraw/zinc/40/40/47/438404047.db2.gz WPUYZODRTGCLHE-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000359730564 438486500 /nfs/dbraw/zinc/48/65/00/438486500.db2.gz GPFKUJBQDWRUKT-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000352655289 438454877 /nfs/dbraw/zinc/45/48/77/438454877.db2.gz HQQAMUHGXHSSLB-INIZCTEOSA-N 1 3 325.501 0.652 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@H]1C ZINC000422113684 438521042 /nfs/dbraw/zinc/52/10/42/438521042.db2.gz IADIISNSVQNGJF-OWCLPIDISA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@H]1C ZINC000422113684 438521045 /nfs/dbraw/zinc/52/10/45/438521045.db2.gz IADIISNSVQNGJF-OWCLPIDISA-N 1 3 338.496 0.870 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000422291181 438546115 /nfs/dbraw/zinc/54/61/15/438546115.db2.gz FTXNXTFFODDGPI-UYSNPLJNSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422305440 438549975 /nfs/dbraw/zinc/54/99/75/438549975.db2.gz JZUXXBXLDNTBPC-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422305440 438549977 /nfs/dbraw/zinc/54/99/77/438549977.db2.gz JZUXXBXLDNTBPC-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422305438 438549774 /nfs/dbraw/zinc/54/97/74/438549774.db2.gz JZUXXBXLDNTBPC-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422305438 438549778 /nfs/dbraw/zinc/54/97/78/438549778.db2.gz JZUXXBXLDNTBPC-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CC[NH+]1CCC(NC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000440976637 438573391 /nfs/dbraw/zinc/57/33/91/438573391.db2.gz IEEMONWNAXRUBV-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCN2CCC[C@H]2C1)C(C)C ZINC000410525121 438596969 /nfs/dbraw/zinc/59/69/69/438596969.db2.gz JJLRPZGSIKZABC-INIZCTEOSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000442601572 438612287 /nfs/dbraw/zinc/61/22/87/438612287.db2.gz FHGSOIXRQLAROG-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000442601572 438612291 /nfs/dbraw/zinc/61/22/91/438612291.db2.gz FHGSOIXRQLAROG-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795742 438624745 /nfs/dbraw/zinc/62/47/45/438624745.db2.gz VIGWOWMPMBKQQA-JKSUJKDBSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795742 438624746 /nfs/dbraw/zinc/62/47/46/438624746.db2.gz VIGWOWMPMBKQQA-JKSUJKDBSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000442795742 438624749 /nfs/dbraw/zinc/62/47/49/438624749.db2.gz VIGWOWMPMBKQQA-JKSUJKDBSA-N 1 3 331.464 0.789 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000423278472 438656508 /nfs/dbraw/zinc/65/65/08/438656508.db2.gz QZJDOZYKPSTDLP-CVEARBPZSA-N 1 3 338.496 0.905 20 0 ECADHO CN(C)C/C=C\C(=O)N1CC[C@@](C)(CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000493674791 438641341 /nfs/dbraw/zinc/64/13/41/438641341.db2.gz PMCZLUPFJNDLSF-PFWUDLFKSA-N 1 3 336.480 0.577 20 0 ECADHO CN(C)C/C=C/C(=O)NC[C@]1(C)CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000493674791 438641344 /nfs/dbraw/zinc/64/13/44/438641344.db2.gz PMCZLUPFJNDLSF-PFWUDLFKSA-N 1 3 336.480 0.577 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000423198897 438648384 /nfs/dbraw/zinc/64/83/84/438648384.db2.gz IOXUGDBJUPVQAB-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423214312 438649598 /nfs/dbraw/zinc/64/95/98/438649598.db2.gz OPPBCZJRWQIJPK-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423369865 438666006 /nfs/dbraw/zinc/66/60/06/438666006.db2.gz PCGBLSWHIMYGMV-HUUCEWRRSA-N 1 3 348.447 0.238 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423368341 438667207 /nfs/dbraw/zinc/66/72/07/438667207.db2.gz NCALBMPDMGOLDY-GOEBONIOSA-N 1 3 348.447 0.380 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423378264 438667787 /nfs/dbraw/zinc/66/77/87/438667787.db2.gz WJSZLTQEAIAJJC-HUUCEWRRSA-N 1 3 348.447 0.238 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410949089 438668087 /nfs/dbraw/zinc/66/80/87/438668087.db2.gz VNQNCFYPWIVLDK-JTDSTZFVSA-N 1 3 348.491 0.626 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410949089 438668089 /nfs/dbraw/zinc/66/80/89/438668089.db2.gz VNQNCFYPWIVLDK-JTDSTZFVSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000423379039 438669803 /nfs/dbraw/zinc/66/98/03/438669803.db2.gz GGHGHRPQQYKIAU-WMLDXEAASA-N 1 3 346.475 0.982 20 0 ECADHO CN1CC[C@H]2CN(C(=O)C(=O)Nc3ccccc3CC[NH+](C)C)C[C@H]21 ZINC000453913814 438699669 /nfs/dbraw/zinc/69/96/69/438699669.db2.gz GVZSSWYRKOFWDA-DOTOQJQBSA-N 1 3 344.459 0.892 20 0 ECADHO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414753487 438716764 /nfs/dbraw/zinc/71/67/64/438716764.db2.gz MNNNIGFHNRBGNY-HRCADAONSA-N 1 3 347.525 0.747 20 0 ECADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(CCOC)CCN(C)C)cc1 ZINC000414808669 438717294 /nfs/dbraw/zinc/71/72/94/438717294.db2.gz FQWUPOPKNFFQGH-UHFFFAOYSA-N 1 3 336.436 0.381 20 0 ECADHO NCc1nnc(-c2ccc(NC(=O)COC3CC[NH2+]CC3)cc2)[nH]1 ZINC000574875274 438724448 /nfs/dbraw/zinc/72/44/48/438724448.db2.gz HJKYCYVPIIWVGR-UHFFFAOYSA-N 1 3 330.392 0.638 20 0 ECADHO CN1CCN(CCNC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000574861802 438724460 /nfs/dbraw/zinc/72/44/60/438724460.db2.gz KBKQCJOULKQTNM-HNNXBMFYSA-N 1 3 325.501 0.701 20 0 ECADHO COC(=O)[C@](C)(C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415093649 438730661 /nfs/dbraw/zinc/73/06/61/438730661.db2.gz CMJRUPQFQNIFAN-HNAYVOBHSA-N 1 3 347.459 0.904 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000574981448 438731139 /nfs/dbraw/zinc/73/11/39/438731139.db2.gz KFTSFPJOYXDAFE-JKJDWNRSSA-N 1 3 334.464 0.267 20 0 ECADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415158896 438733279 /nfs/dbraw/zinc/73/32/79/438733279.db2.gz JAYLKOKDAWVRFO-UHFFFAOYSA-N 1 3 346.431 0.660 20 0 ECADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415158896 438733280 /nfs/dbraw/zinc/73/32/80/438733280.db2.gz JAYLKOKDAWVRFO-UHFFFAOYSA-N 1 3 346.431 0.660 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000553355028 438750618 /nfs/dbraw/zinc/75/06/18/438750618.db2.gz UZMNZFCMSKGZRI-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000557196362 438795406 /nfs/dbraw/zinc/79/54/06/438795406.db2.gz HMMDWXLPFWZZQF-QZTJIDSGSA-N 1 3 345.491 0.935 20 0 ECADHO CCCNC(=O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557450085 438800479 /nfs/dbraw/zinc/80/04/79/438800479.db2.gz STGGMDHHKXIWII-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000576108029 438769093 /nfs/dbraw/zinc/76/90/93/438769093.db2.gz KGFLGDYQYAIMPC-CHWSQXEVSA-N 1 3 329.466 0.164 20 0 ECADHO COC(=O)C[C@@H]1CSCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000576108029 438769096 /nfs/dbraw/zinc/76/90/96/438769096.db2.gz KGFLGDYQYAIMPC-CHWSQXEVSA-N 1 3 329.466 0.164 20 0 ECADHO C[NH+](C)C[C@H](O)CNC[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000497216262 438780744 /nfs/dbraw/zinc/78/07/44/438780744.db2.gz VLJYOSFDIKWCDH-PBHICJAKSA-N 1 3 345.484 0.651 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000512448038 438810086 /nfs/dbraw/zinc/81/00/86/438810086.db2.gz PNQMRQJOIBVQFS-PMPSAXMXSA-N 1 3 325.501 0.604 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000558957750 438830068 /nfs/dbraw/zinc/83/00/68/438830068.db2.gz JWQXFGVOBPQTPN-HUUCEWRRSA-N 1 3 339.484 0.275 20 0 ECADHO CCOC(=O)C1CCC(O)(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000564974173 438896467 /nfs/dbraw/zinc/89/64/67/438896467.db2.gz CFWXWEZDSQBQKY-CKDBGZEDSA-N 1 3 328.453 0.517 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)c1 ZINC000565027752 438906088 /nfs/dbraw/zinc/90/60/88/438906088.db2.gz AIAPUXDZFOFHHF-QAPCUYQASA-N 1 3 330.432 0.346 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000577856820 438875443 /nfs/dbraw/zinc/87/54/43/438875443.db2.gz KINIAMGWQIWQDS-QEOTZNIISA-N 1 3 348.491 0.657 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1=O ZINC000595895402 438879162 /nfs/dbraw/zinc/87/91/62/438879162.db2.gz LNLQXJBFPNVCNV-XHSDSOJGSA-N 1 3 337.464 0.862 20 0 ECADHO NC(=O)NC(=O)CCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595910850 438884455 /nfs/dbraw/zinc/88/44/55/438884455.db2.gz YNTACHHDCOWRGW-UHFFFAOYSA-N 1 3 348.451 0.641 20 0 ECADHO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)CCCN2CCN(C)CC2)C1(C)C ZINC000564930170 438890389 /nfs/dbraw/zinc/89/03/89/438890389.db2.gz IHKRXAUKYCZDMX-MAUKXSAKSA-N 1 3 340.512 0.615 20 0 ECADHO C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CCCCN2CCO)CCSC1 ZINC000458492184 438892754 /nfs/dbraw/zinc/89/27/54/438892754.db2.gz FIIIXPLOLTVGNT-ZBFHGGJFSA-N 1 3 344.525 0.570 20 0 ECADHO CC[NH+](CC)CCSCC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595989980 438908227 /nfs/dbraw/zinc/90/82/27/438908227.db2.gz NGZNIZKILJYXLE-UHFFFAOYSA-N 1 3 327.454 0.332 20 0 ECADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000516173607 438893387 /nfs/dbraw/zinc/89/33/87/438893387.db2.gz LWNNRPKHRGHMGK-QLFBSQMISA-N 1 3 332.514 0.625 20 0 ECADHO COCC[NH+](CCOC)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000578245952 438909330 /nfs/dbraw/zinc/90/93/30/438909330.db2.gz DEAJEJVOBFBDMJ-INIZCTEOSA-N 1 3 341.496 0.914 20 0 ECADHO CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000578488657 438926353 /nfs/dbraw/zinc/92/63/53/438926353.db2.gz DQGDPPKBVYULKM-SJORKVTESA-N 1 3 331.464 0.545 20 0 ECADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000565893361 438986120 /nfs/dbraw/zinc/98/61/20/438986120.db2.gz BWOYXMYASSGIIY-HZSPNIEDSA-N 1 3 337.468 0.107 20 0 ECADHO COCCCNC(=O)[C@H](C)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000518381578 438995635 /nfs/dbraw/zinc/99/56/35/438995635.db2.gz WTWLIKKAVVOUPI-DLBZAZTESA-N 1 3 340.512 0.535 20 0 ECADHO [NH3+]CCCCn1cc(C(=O)Nc2ccc(N3CCNCC3)cn2)nn1 ZINC000518373014 438996832 /nfs/dbraw/zinc/99/68/32/438996832.db2.gz MEFGBSWLWWEPPK-UHFFFAOYSA-N 1 3 344.423 0.074 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000579948659 439048392 /nfs/dbraw/zinc/04/83/92/439048392.db2.gz ROOWPGOZVPDUPS-HWOWSKLDSA-N 1 3 327.469 0.482 20 0 ECADHO COC(=O)C1CCN(C(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000591658938 439051731 /nfs/dbraw/zinc/05/17/31/439051731.db2.gz UQPCFQAYLUSIIW-AWEZNQCLSA-N 1 3 337.464 0.862 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000460005815 439054789 /nfs/dbraw/zinc/05/47/89/439054789.db2.gz BTUGRDIIPPUFMS-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@@H]1N(C)C ZINC000459933012 439037768 /nfs/dbraw/zinc/03/77/68/439037768.db2.gz LOLZLADJGIAOQG-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)CCOCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000471662362 439092202 /nfs/dbraw/zinc/09/22/02/439092202.db2.gz LARHFMIGMZLSTJ-INIZCTEOSA-N 1 3 326.485 0.938 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000580451357 439094770 /nfs/dbraw/zinc/09/47/70/439094770.db2.gz DRVAFINERGCUEH-QGZVFWFLSA-N 1 3 346.475 0.488 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602577506 439114208 /nfs/dbraw/zinc/11/42/08/439114208.db2.gz VBERADTYQBLDHU-HZPDHXFCSA-N 1 3 333.432 0.905 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602577506 439114211 /nfs/dbraw/zinc/11/42/11/439114211.db2.gz VBERADTYQBLDHU-HZPDHXFCSA-N 1 3 333.432 0.905 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CNCc2ccccc21 ZINC000580645775 439114548 /nfs/dbraw/zinc/11/45/48/439114548.db2.gz YKPIKPOWWYIWLN-RDJZCZTQSA-N 1 3 344.459 0.720 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CNCc2ccccc21 ZINC000580645774 439115209 /nfs/dbraw/zinc/11/52/09/439115209.db2.gz YKPIKPOWWYIWLN-NVXWUHKLSA-N 1 3 344.459 0.720 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000580297351 439079068 /nfs/dbraw/zinc/07/90/68/439079068.db2.gz ISKBGCMEYULMCP-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000567246951 439125576 /nfs/dbraw/zinc/12/55/76/439125576.db2.gz AHTPQXZGFJVILG-KBAYOESNSA-N 1 3 345.491 0.710 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567501184 439147355 /nfs/dbraw/zinc/14/73/55/439147355.db2.gz GHPBOZUZSLHKPB-WDEREUQCSA-N 1 3 331.486 0.466 20 0 ECADHO OCCN1CCN(CCCC[NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000581007169 439159604 /nfs/dbraw/zinc/15/96/04/439159604.db2.gz IYBDSWQPQMCQOD-SFHVURJKSA-N 1 3 327.513 0.907 20 0 ECADHO CC(C)c1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)no1 ZINC000525882377 439223429 /nfs/dbraw/zinc/22/34/29/439223429.db2.gz SVSQBUPOEOOUIR-UHFFFAOYSA-N 1 3 339.440 0.688 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000581440968 439212800 /nfs/dbraw/zinc/21/28/00/439212800.db2.gz XRYSALAETAZIOE-CQSZACIVSA-N 1 3 326.485 0.810 20 0 ECADHO CN(C[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000568749711 439275244 /nfs/dbraw/zinc/27/52/44/439275244.db2.gz LRWQFQCUVYOMPL-RLLQIKCJSA-N 1 3 347.503 0.914 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCC[C@H]3CCC[N@H+](C)C3)C[C@H]2N)cn1 ZINC000581998030 439276372 /nfs/dbraw/zinc/27/63/72/439276372.db2.gz PYFXDUHLOJHJES-VNQPRFMTSA-N 1 3 334.468 0.588 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)C[C@H]2N)cn1 ZINC000581998030 439276376 /nfs/dbraw/zinc/27/63/76/439276376.db2.gz PYFXDUHLOJHJES-VNQPRFMTSA-N 1 3 334.468 0.588 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000592560250 439255465 /nfs/dbraw/zinc/25/54/65/439255465.db2.gz ILNWFFGMTDQMMN-CYBMUJFWSA-N 1 3 347.406 0.623 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000568535162 439257442 /nfs/dbraw/zinc/25/74/42/439257442.db2.gz SZDKPXSUEUXIEL-HRCADAONSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCOCC[NH+](C)C)C[C@@H](C)C1 ZINC000490225130 439259825 /nfs/dbraw/zinc/25/98/25/439259825.db2.gz UJRWJZHMFVBGNC-XHSDSOJGSA-N 1 3 326.485 0.936 20 0 ECADHO COC[C@@]1(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CCC[NH2+]1 ZINC000592965217 439322559 /nfs/dbraw/zinc/32/25/59/439322559.db2.gz ULLBAAVHIYVWLX-SJLPKXTDSA-N 1 3 338.496 0.382 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569334072 439324056 /nfs/dbraw/zinc/32/40/56/439324056.db2.gz WLLLXZUXVPETIQ-UONOGXRCSA-N 1 3 347.454 0.556 20 0 ECADHO [NH3+][C@@H](CCC(=O)Nc1nc(N2CCNCC2)n[nH]1)c1ccccc1 ZINC000569573524 439344900 /nfs/dbraw/zinc/34/49/00/439344900.db2.gz VQKMHXBBANULAL-ZDUSSCGKSA-N 1 3 329.408 0.633 20 0 ECADHO O=C(C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000569711573 439357278 /nfs/dbraw/zinc/35/72/78/439357278.db2.gz SDEJUCGRCHCQBG-OAGGEKHMSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@H]1CN)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582775045 439378739 /nfs/dbraw/zinc/37/87/39/439378739.db2.gz LSHJXIABCCWJIM-YQQAZPJKSA-N 1 3 337.512 0.924 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@H]1CN)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582775045 439378742 /nfs/dbraw/zinc/37/87/42/439378742.db2.gz LSHJXIABCCWJIM-YQQAZPJKSA-N 1 3 337.512 0.924 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000570035834 439384825 /nfs/dbraw/zinc/38/48/25/439384825.db2.gz ZZKKWQWGKPXHMB-GJZGRUSLSA-N 1 3 338.496 0.905 20 0 ECADHO COCCN1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000605885247 439387184 /nfs/dbraw/zinc/38/71/84/439387184.db2.gz ZPLFGFQANJEDBA-OAHLLOKOSA-N 1 3 333.436 0.634 20 0 ECADHO CN(C[C@H](O)C[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)C1CC1 ZINC000570332828 439411066 /nfs/dbraw/zinc/41/10/66/439411066.db2.gz XOPVUXGGDVXKEB-CEXWTWQISA-N 1 3 333.476 0.667 20 0 ECADHO O=C(C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000583137917 439424444 /nfs/dbraw/zinc/42/44/44/439424444.db2.gz SELGZZGZTHZLHW-SJORKVTESA-N 1 3 348.491 0.674 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)CC[C@H]1c1ccc(F)cc1 ZINC000583014520 439409169 /nfs/dbraw/zinc/40/91/69/439409169.db2.gz FQZHWTYPTFAQFM-HRCADAONSA-N 1 3 336.411 0.640 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1=O ZINC000530241835 439494493 /nfs/dbraw/zinc/49/44/93/439494493.db2.gz QVQXMCYLZQEFKH-AWEZNQCLSA-N 1 3 338.452 0.407 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000583684019 439497043 /nfs/dbraw/zinc/49/70/43/439497043.db2.gz ZOERHAAKTJPMID-FZKCQIBNSA-N 1 3 336.480 0.705 20 0 ECADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\C[NH+](C)C ZINC000492208823 439509077 /nfs/dbraw/zinc/50/90/77/439509077.db2.gz PJDXRNXGNNNXGM-NLZINVLXSA-N 1 3 346.475 0.510 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC000572476283 439585060 /nfs/dbraw/zinc/58/50/60/439585060.db2.gz OKTAJDXCSAVIAQ-IXDOHACOSA-N 1 3 342.528 0.072 20 0 ECADHO CC(=O)NCCN(C)Cc1ccccc1C[N@H+](C)CCNC(C)=O ZINC000572518229 439588397 /nfs/dbraw/zinc/58/83/97/439588397.db2.gz GHISHOUWLJEFOZ-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO CC(=O)NCCN(C)Cc1ccccc1C[N@@H+](C)CCNC(C)=O ZINC000572518229 439588401 /nfs/dbraw/zinc/58/84/01/439588401.db2.gz GHISHOUWLJEFOZ-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000584827211 439619770 /nfs/dbraw/zinc/61/97/70/439619770.db2.gz PCKRWZUZDNTCTP-CQSZACIVSA-N 1 3 348.447 0.954 20 0 ECADHO CCNC(=O)CCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000600078471 439610411 /nfs/dbraw/zinc/61/04/11/439610411.db2.gz IRQJWRMVCNSCPR-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCNC(=O)CCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000600078471 439610415 /nfs/dbraw/zinc/61/04/15/439610415.db2.gz IRQJWRMVCNSCPR-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000573267695 439636950 /nfs/dbraw/zinc/63/69/50/439636950.db2.gz PULDIXZALRNESL-IAGOWNOFSA-N 1 3 337.512 0.796 20 0 ECADHO CCOC[C@H](O)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000573596276 439655731 /nfs/dbraw/zinc/65/57/31/439655731.db2.gz LTPDUDFITDQVBR-GOSISDBHSA-N 1 3 349.475 0.871 20 0 ECADHO CCOC[C@H](O)CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000573596276 439655735 /nfs/dbraw/zinc/65/57/35/439655735.db2.gz LTPDUDFITDQVBR-GOSISDBHSA-N 1 3 349.475 0.871 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)S1 ZINC000573067515 439624985 /nfs/dbraw/zinc/62/49/85/439624985.db2.gz LLEZGAIITXRWBH-ZIAGYGMSSA-N 1 3 344.525 0.291 20 0 ECADHO CCC[C@](C)(N)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573089311 439627916 /nfs/dbraw/zinc/62/79/16/439627916.db2.gz JYCXGUYBSXUWFI-ZQIUZPCESA-N 1 3 337.468 0.251 20 0 ECADHO O=C(NC1CC(N2CCCCC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000574511279 439710935 /nfs/dbraw/zinc/71/09/35/439710935.db2.gz FJXDWWHSAIWCRB-SHARSMKWSA-N 1 3 332.452 0.949 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000611647978 439714916 /nfs/dbraw/zinc/71/49/16/439714916.db2.gz HIAGUJMCQCGOLY-VNQPRFMTSA-N 1 3 336.480 0.528 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000611647978 439714920 /nfs/dbraw/zinc/71/49/20/439714920.db2.gz HIAGUJMCQCGOLY-VNQPRFMTSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612982122 439748182 /nfs/dbraw/zinc/74/81/82/439748182.db2.gz HZOOIOYSJXOSOM-HNNXBMFYSA-N 1 3 337.512 0.844 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000612550992 439728779 /nfs/dbraw/zinc/72/87/79/439728779.db2.gz KPJNPGNGKXZAIV-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCN(CCC(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000615261511 439797390 /nfs/dbraw/zinc/79/73/90/439797390.db2.gz DDLKOIMUUNNDIF-DLBZAZTESA-N 1 3 338.496 0.336 20 0 ECADHO CCN1CCN(CCC(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)CC1 ZINC000615261511 439797391 /nfs/dbraw/zinc/79/73/91/439797391.db2.gz DDLKOIMUUNNDIF-DLBZAZTESA-N 1 3 338.496 0.336 20 0 ECADHO O=C(C[C@H]1C[NH2+]CCO1)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638975 439828055 /nfs/dbraw/zinc/82/80/55/439828055.db2.gz ZZOWVMYOYLHDMM-KRWDZBQOSA-N 1 3 332.448 0.788 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662754037 439877026 /nfs/dbraw/zinc/87/70/26/439877026.db2.gz BSWLPCDIBOGYLP-YUELXQCFSA-N 1 3 332.452 0.805 20 0 ECADHO CCO[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@H]1C[NH3+] ZINC000652380114 439830514 /nfs/dbraw/zinc/83/05/14/439830514.db2.gz FVSZNAGLYFOVNM-GDBMZVCRSA-N 1 3 341.477 0.733 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662685316 439846331 /nfs/dbraw/zinc/84/63/31/439846331.db2.gz BGIFUMMKTFCWCS-JKSUJKDBSA-N 1 3 346.431 0.544 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662715063 439855880 /nfs/dbraw/zinc/85/58/80/439855880.db2.gz DFAYAVPNDNBVNJ-UHFFFAOYSA-N 1 3 334.464 0.428 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000652701927 439930052 /nfs/dbraw/zinc/93/00/52/439930052.db2.gz LZQDZRWZAFUVOR-UHFFFAOYSA-N 1 3 344.459 0.850 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@@H]2CCc3ncnn32)C1)[C@H]1CCC[NH2+]1 ZINC000631822403 439933779 /nfs/dbraw/zinc/93/37/79/439933779.db2.gz BJRMWDUNZFSKJU-SOUVJXGZSA-N 1 3 332.452 0.346 20 0 ECADHO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626792055 439884302 /nfs/dbraw/zinc/88/43/02/439884302.db2.gz JMPCKFZHOZLVAM-UHFFFAOYSA-N 1 3 348.447 0.954 20 0 ECADHO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626792055 439884309 /nfs/dbraw/zinc/88/43/09/439884309.db2.gz JMPCKFZHOZLVAM-UHFFFAOYSA-N 1 3 348.447 0.954 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000636458662 439890076 /nfs/dbraw/zinc/89/00/76/439890076.db2.gz LYBGLVXLBQGIIJ-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO C[NH2+]Cc1cccc(NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)c1 ZINC000652625932 439894859 /nfs/dbraw/zinc/89/48/59/439894859.db2.gz SUFMRLLEUCKNQO-UHFFFAOYSA-N 1 3 344.419 0.741 20 0 ECADHO COCc1nn(C)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503723 439898960 /nfs/dbraw/zinc/89/89/60/439898960.db2.gz WHDGKVUHBOIYEK-ZDUSSCGKSA-N 1 3 325.457 0.568 20 0 ECADHO COCc1nn(C)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503723 439898965 /nfs/dbraw/zinc/89/89/65/439898965.db2.gz WHDGKVUHBOIYEK-ZDUSSCGKSA-N 1 3 325.457 0.568 20 0 ECADHO Cc1nnc2n1C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000617506548 439899601 /nfs/dbraw/zinc/89/96/01/439899601.db2.gz RYMSAXNBRCYNNC-DZGCQCFKSA-N 1 3 336.484 0.537 20 0 ECADHO Cc1nnc2n1C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000617506548 439899605 /nfs/dbraw/zinc/89/96/05/439899605.db2.gz RYMSAXNBRCYNNC-DZGCQCFKSA-N 1 3 336.484 0.537 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1ccncc1 ZINC000617507254 439901329 /nfs/dbraw/zinc/90/13/29/439901329.db2.gz OFUQJLZDIMSTKM-AWEZNQCLSA-N 1 3 335.452 0.200 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1ccncc1 ZINC000617507254 439901334 /nfs/dbraw/zinc/90/13/34/439901334.db2.gz OFUQJLZDIMSTKM-AWEZNQCLSA-N 1 3 335.452 0.200 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(N2CCOCC2)CCC1 ZINC000617506680 439902331 /nfs/dbraw/zinc/90/23/31/439902331.db2.gz VVMWHLHLTLKIHH-INIZCTEOSA-N 1 3 340.512 0.630 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(N2CCOCC2)CCC1 ZINC000617506680 439902336 /nfs/dbraw/zinc/90/23/36/439902336.db2.gz VVMWHLHLTLKIHH-INIZCTEOSA-N 1 3 340.512 0.630 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCO1 ZINC000646851481 439905283 /nfs/dbraw/zinc/90/52/83/439905283.db2.gz VSYOGPMZDRNPDS-BHYGNILZSA-N 1 3 332.448 0.868 20 0 ECADHO N[C@H]1CCCCN(CC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662837901 439909497 /nfs/dbraw/zinc/90/94/97/439909497.db2.gz AHUPOAMQDCBXOD-HOTGVXAUSA-N 1 3 336.480 0.564 20 0 ECADHO NC(C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(F)(F)F ZINC000662861185 439917149 /nfs/dbraw/zinc/91/71/49/439917149.db2.gz YAXISHGKZNFWOE-QWHCGFSZSA-N 1 3 331.338 0.759 20 0 ECADHO NC(C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C(F)(F)F ZINC000662861185 439917156 /nfs/dbraw/zinc/91/71/56/439917156.db2.gz YAXISHGKZNFWOE-QWHCGFSZSA-N 1 3 331.338 0.759 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)[N@H+](C)C1CC1 ZINC000636663655 439984347 /nfs/dbraw/zinc/98/43/47/439984347.db2.gz WTOGGTSQTLAXGN-CJNGLKHVSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)[N@@H+](C)C1CC1 ZINC000636663655 439984353 /nfs/dbraw/zinc/98/43/53/439984353.db2.gz WTOGGTSQTLAXGN-CJNGLKHVSA-N 1 3 336.480 0.718 20 0 ECADHO CN1C[C@@H]2CCN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000646937886 439937438 /nfs/dbraw/zinc/93/74/38/439937438.db2.gz VDXRZKCSFDUJTI-YQVWRLOYSA-N 1 3 329.444 0.786 20 0 ECADHO CN1C[C@@H]2CCN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000646937886 439937442 /nfs/dbraw/zinc/93/74/42/439937442.db2.gz VDXRZKCSFDUJTI-YQVWRLOYSA-N 1 3 329.444 0.786 20 0 ECADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662914476 439939506 /nfs/dbraw/zinc/93/95/06/439939506.db2.gz AMOWDQKZZJEFIU-JSGCOSHPSA-N 1 3 335.370 0.898 20 0 ECADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000642009063 439940184 /nfs/dbraw/zinc/94/01/84/439940184.db2.gz NMJYOEUDFYESDQ-HUUCEWRRSA-N 1 3 337.468 0.063 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCCCC1 ZINC000642084373 439945447 /nfs/dbraw/zinc/94/54/47/439945447.db2.gz PARMVWTXPKLRSZ-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636598441 439951864 /nfs/dbraw/zinc/95/18/64/439951864.db2.gz KLWZTRWJPVLSEL-GDBMZVCRSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000642253850 439961550 /nfs/dbraw/zinc/96/15/50/439961550.db2.gz LHCUNHHXPDHLFS-RDJZCZTQSA-N 1 3 346.475 0.868 20 0 ECADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658494524 439961544 /nfs/dbraw/zinc/96/15/44/439961544.db2.gz CVTJCZDOPFCSDD-UHFFFAOYSA-N 1 3 340.512 0.833 20 0 ECADHO O=C([C@H]1CCCC[NH2+]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014370 439990404 /nfs/dbraw/zinc/99/04/04/439990404.db2.gz LMTFKJUDROUDIF-HUUCEWRRSA-N 1 3 346.479 0.667 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)NCC2([NH3+])CCOCC2)CCCO1 ZINC000627020409 439993021 /nfs/dbraw/zinc/99/30/21/439993021.db2.gz IAQVTMJSELVZHI-CQSZACIVSA-N 1 3 328.457 0.294 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627149955 440021461 /nfs/dbraw/zinc/02/14/61/440021461.db2.gz URVNRSRJVOZDMC-CQSZACIVSA-N 1 3 340.468 0.389 20 0 ECADHO CC[C@H]1CN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)CC[C@H]1[NH3+] ZINC000642780486 440032190 /nfs/dbraw/zinc/03/21/90/440032190.db2.gz DHZBLCHKAXPCFT-DLBZAZTESA-N 1 3 346.475 0.950 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000642783365 440034534 /nfs/dbraw/zinc/03/45/34/440034534.db2.gz VKPSMGGMNNNKQG-SQWLQELKSA-N 1 3 332.448 0.619 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000627240608 440061724 /nfs/dbraw/zinc/06/17/24/440061724.db2.gz SZPBWSYJMSKISE-DZOHQFGASA-N 1 3 346.475 0.919 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918261 440062246 /nfs/dbraw/zinc/06/22/46/440062246.db2.gz QRCVXXKUOMPGLR-UHFFFAOYSA-N 1 3 338.477 0.507 20 0 ECADHO CN(C)CCn1c2cc(NC(=O)[C@@H](N)CC[NH+](C)C)ccc2oc1=O ZINC000653114300 440068640 /nfs/dbraw/zinc/06/86/40/440068640.db2.gz DFXSNQYQRAXKSL-ZDUSSCGKSA-N 1 3 349.435 0.374 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653116618 440072457 /nfs/dbraw/zinc/07/24/57/440072457.db2.gz MURBHDJNAAFBTR-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653122040 440074757 /nfs/dbraw/zinc/07/47/57/440074757.db2.gz JPHANCUSHKRQEQ-LNLFQRSKSA-N 1 3 329.444 0.955 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000642982742 440075397 /nfs/dbraw/zinc/07/53/97/440075397.db2.gz WJYFRIDENLRLJS-KRWDZBQOSA-N 1 3 344.459 0.895 20 0 ECADHO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000642981367 440076000 /nfs/dbraw/zinc/07/60/00/440076000.db2.gz ZMBKOSQKZWYUDN-HOTGVXAUSA-N 1 3 336.480 0.722 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653125390 440078371 /nfs/dbraw/zinc/07/83/71/440078371.db2.gz XNCGRVYKNGWEFD-SFHVURJKSA-N 1 3 347.507 0.329 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)C[NH2+]1 ZINC000627201460 440043699 /nfs/dbraw/zinc/04/36/99/440043699.db2.gz HUAKMFGMSVDUDP-WCXIOVBPSA-N 1 3 337.512 0.794 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627206867 440046033 /nfs/dbraw/zinc/04/60/33/440046033.db2.gz MWABHUNANMQVLG-HUUCEWRRSA-N 1 3 325.501 0.842 20 0 ECADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000642903052 440054951 /nfs/dbraw/zinc/05/49/51/440054951.db2.gz AHRUUCNOSSVPPH-HOTGVXAUSA-N 1 3 336.480 0.722 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)N1CCC(C)CC1 ZINC000627351478 440144613 /nfs/dbraw/zinc/14/46/13/440144613.db2.gz UCKBPZVHEKHEHW-ARFHVFGLSA-N 1 3 338.496 0.726 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CCC(C)CC1 ZINC000627331697 440126326 /nfs/dbraw/zinc/12/63/26/440126326.db2.gz FSGJGBIHIKSNNT-LSDHHAIUSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627335239 440129821 /nfs/dbraw/zinc/12/98/21/440129821.db2.gz PCXRAQIWXIDPCW-CZUORRHYSA-N 1 3 345.447 0.201 20 0 ECADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653369210 440135231 /nfs/dbraw/zinc/13/52/31/440135231.db2.gz NAZIOEZOBQWLEK-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000627303836 440109416 /nfs/dbraw/zinc/10/94/16/440109416.db2.gz DTTCLVXAJPUQFL-BHYGNILZSA-N 1 3 346.475 0.880 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000627390516 440173266 /nfs/dbraw/zinc/17/32/66/440173266.db2.gz ODALZYFKBVUBHY-WMLDXEAASA-N 1 3 344.459 0.634 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663829715 440179791 /nfs/dbraw/zinc/17/97/91/440179791.db2.gz JXMCETCVXCCUJZ-AWEZNQCLSA-N 1 3 329.489 0.378 20 0 ECADHO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494588 440185464 /nfs/dbraw/zinc/18/54/64/440185464.db2.gz BTNUYIAUEULJOA-GVDBMIGSSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)N2CCCC23CCN(C)CC3)C[C@@H]1C[NH3+] ZINC000643530120 440201113 /nfs/dbraw/zinc/20/11/13/440201113.db2.gz NVACPQQOBXHAKB-GJZGRUSLSA-N 1 3 336.480 0.517 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C[C@H]21 ZINC000643504170 440189892 /nfs/dbraw/zinc/18/98/92/440189892.db2.gz NTNPBFVHINYIOS-KLHDSHLOSA-N 1 3 334.464 0.269 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000627427314 440196832 /nfs/dbraw/zinc/19/68/32/440196832.db2.gz BPBRCWVWQSIJJK-GOEBONIOSA-N 1 3 348.491 0.910 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627366327 440156518 /nfs/dbraw/zinc/15/65/18/440156518.db2.gz PDQNNXSSPYSJJY-INIZCTEOSA-N 1 3 332.448 0.432 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627366327 440156524 /nfs/dbraw/zinc/15/65/24/440156524.db2.gz PDQNNXSSPYSJJY-INIZCTEOSA-N 1 3 332.448 0.432 20 0 ECADHO CCCN(C(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000643591192 440215887 /nfs/dbraw/zinc/21/58/87/440215887.db2.gz IBSNAWJEXGIYQZ-MRXNPFEDSA-N 1 3 345.447 0.331 20 0 ECADHO O=C(NCC[NH2+]C1CC1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000637307460 440234677 /nfs/dbraw/zinc/23/46/77/440234677.db2.gz SAKHRQWNJSZGHW-AEFFLSMTSA-N 1 3 346.475 0.921 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659084295 440236129 /nfs/dbraw/zinc/23/61/29/440236129.db2.gz YKIFNVKLGOVDQQ-SWLSCSKDSA-N 1 3 334.420 0.352 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000643531854 440202041 /nfs/dbraw/zinc/20/20/41/440202041.db2.gz PSYBEPHWRRXJFL-HOTGVXAUSA-N 1 3 330.432 0.279 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627441831 440205189 /nfs/dbraw/zinc/20/51/89/440205189.db2.gz UUTYQMKEAGVOCY-HNNXBMFYSA-N 1 3 348.447 0.571 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000659103712 440249783 /nfs/dbraw/zinc/24/97/83/440249783.db2.gz VFNCJIRJNOKHTE-HNNXBMFYSA-N 1 3 346.431 0.708 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000659103712 440249789 /nfs/dbraw/zinc/24/97/89/440249789.db2.gz VFNCJIRJNOKHTE-HNNXBMFYSA-N 1 3 346.431 0.708 20 0 ECADHO C[N@H+](CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000654356118 440298897 /nfs/dbraw/zinc/29/88/97/440298897.db2.gz MXHICTCUXSZWCV-ZWKOTPCHSA-N 1 3 346.475 0.969 20 0 ECADHO C[N@@H+](CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000654356118 440298902 /nfs/dbraw/zinc/29/89/02/440298902.db2.gz MXHICTCUXSZWCV-ZWKOTPCHSA-N 1 3 346.475 0.969 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000637579176 440306222 /nfs/dbraw/zinc/30/62/22/440306222.db2.gz QISJPUQZZALDFI-OAHLLOKOSA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000648826145 440340778 /nfs/dbraw/zinc/34/07/78/440340778.db2.gz MWOWSKWCBIJMTE-ZTFGCOKTSA-N 1 3 331.460 0.862 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC[N@H+]1C ZINC000648826145 440340781 /nfs/dbraw/zinc/34/07/81/440340781.db2.gz MWOWSKWCBIJMTE-ZTFGCOKTSA-N 1 3 331.460 0.862 20 0 ECADHO C[C@H]1CNCCN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637815787 440344440 /nfs/dbraw/zinc/34/44/40/440344440.db2.gz BXTBYVKMNYWTEM-LBPRGKRZSA-N 1 3 331.420 0.737 20 0 ECADHO [NH3+]C[C@@H](NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)C1CC1 ZINC000659519381 440352692 /nfs/dbraw/zinc/35/26/92/440352692.db2.gz QUAMOOJPUIHOCO-DLBZAZTESA-N 1 3 332.448 0.790 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)N[C@H]1CCC[NH2+]C1 ZINC000659518475 440354206 /nfs/dbraw/zinc/35/42/06/440354206.db2.gz XUFMRMKLBODILD-IRXDYDNUSA-N 1 3 332.448 0.804 20 0 ECADHO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)NC[C@@H]1CNCCO1 ZINC000659555189 440360973 /nfs/dbraw/zinc/36/09/73/440360973.db2.gz PADVCXCCSSCZJM-SJORKVTESA-N 1 3 348.447 0.041 20 0 ECADHO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)NC[C@@H]1CNCCO1 ZINC000659555189 440360980 /nfs/dbraw/zinc/36/09/80/440360980.db2.gz PADVCXCCSSCZJM-SJORKVTESA-N 1 3 348.447 0.041 20 0 ECADHO CN1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](CN)C1 ZINC000659589341 440369088 /nfs/dbraw/zinc/36/90/88/440369088.db2.gz OIQAABUGANUFMP-GVDBMIGSSA-N 1 3 349.454 0.556 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000633035228 440415570 /nfs/dbraw/zinc/41/55/70/440415570.db2.gz VPZUGZLTVHLJOD-GASCZTMLSA-N 1 3 346.431 0.528 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000638070070 440422328 /nfs/dbraw/zinc/42/23/28/440422328.db2.gz OXCNMSCTFFISJH-SFHVURJKSA-N 1 3 348.491 0.409 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000659694410 440426895 /nfs/dbraw/zinc/42/68/95/440426895.db2.gz JNGQZEGAXBFTGP-GJZGRUSLSA-N 1 3 326.485 0.583 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000659628450 440380774 /nfs/dbraw/zinc/38/07/74/440380774.db2.gz DXGATEBPUPUJLH-RYUDHWBXSA-N 1 3 334.424 0.172 20 0 ECADHO [NH3+]CCCN(CC1CCCC1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629184 440382427 /nfs/dbraw/zinc/38/24/27/440382427.db2.gz PSNLRQAXBJYZEN-UHFFFAOYSA-N 1 3 336.440 0.692 20 0 ECADHO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@H]21 ZINC000659631707 440383857 /nfs/dbraw/zinc/38/38/57/440383857.db2.gz ZRDYHPRATKNKCE-WCQYABFASA-N 1 3 334.424 0.267 20 0 ECADHO C[N@H+]1CCC[C@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@H]21 ZINC000659631707 440383864 /nfs/dbraw/zinc/38/38/64/440383864.db2.gz ZRDYHPRATKNKCE-WCQYABFASA-N 1 3 334.424 0.267 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000659632358 440386490 /nfs/dbraw/zinc/38/64/90/440386490.db2.gz WGPOOVIDKGOJIE-CQSZACIVSA-N 1 3 348.451 0.801 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633023413 440409946 /nfs/dbraw/zinc/40/99/46/440409946.db2.gz BTLDRBBOZMHVSC-TZMCWYRMSA-N 1 3 348.447 0.749 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334067 440470055 /nfs/dbraw/zinc/47/00/55/440470055.db2.gz GLOLBCMTSZKLRZ-MJGOQNOKSA-N 1 3 342.487 0.986 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334067 440470062 /nfs/dbraw/zinc/47/00/62/440470062.db2.gz GLOLBCMTSZKLRZ-MJGOQNOKSA-N 1 3 342.487 0.986 20 0 ECADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334067 440470068 /nfs/dbraw/zinc/47/00/68/440470068.db2.gz GLOLBCMTSZKLRZ-MJGOQNOKSA-N 1 3 342.487 0.986 20 0 ECADHO CN1CCN(CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](c2ccccc2)C1 ZINC000649350602 440480342 /nfs/dbraw/zinc/48/03/42/440480342.db2.gz RQZBWQFYOXGJAR-HCXYKTFWSA-N 1 3 342.487 0.947 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659741276 440479301 /nfs/dbraw/zinc/47/93/01/440479301.db2.gz IOZUGSJAYIWMCP-UHFFFAOYSA-N 1 3 334.420 0.038 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000628215886 440434302 /nfs/dbraw/zinc/43/43/02/440434302.db2.gz XJTGBXRYKZURMQ-KFWWJZLASA-N 1 3 326.485 0.774 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CNCCC1(F)F ZINC000644124030 440448461 /nfs/dbraw/zinc/44/84/61/440448461.db2.gz BNSFJNIDPLMTPD-RYUDHWBXSA-N 1 3 332.395 0.077 20 0 ECADHO COc1cccc([C@H](N)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000638118377 440449052 /nfs/dbraw/zinc/44/90/52/440449052.db2.gz YTGKYJLKVDLAQF-YJBOKZPZSA-N 1 3 346.475 0.980 20 0 ECADHO COc1cccc([C@H](N)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000638118377 440449054 /nfs/dbraw/zinc/44/90/54/440449054.db2.gz YTGKYJLKVDLAQF-YJBOKZPZSA-N 1 3 346.475 0.980 20 0 ECADHO COc1cccc([C@H](N)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638118377 440449059 /nfs/dbraw/zinc/44/90/59/440449059.db2.gz YTGKYJLKVDLAQF-YJBOKZPZSA-N 1 3 346.475 0.980 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCn3ccnn3)CC2)CC1 ZINC000654993572 440451975 /nfs/dbraw/zinc/45/19/75/440451975.db2.gz UKIKWIJVOXSXEQ-UHFFFAOYSA-N 1 3 334.468 0.591 20 0 ECADHO C[C@@H]1CCN(CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638125946 440453051 /nfs/dbraw/zinc/45/30/51/440453051.db2.gz HLQLAEXKUKEWLQ-GHMZBOCLSA-N 1 3 342.394 0.822 20 0 ECADHO COC[C@]1(C(=O)NCCN2CCC([NH+](C)C)CC2)CCCCN1 ZINC000638129325 440453603 /nfs/dbraw/zinc/45/36/03/440453603.db2.gz ZQYWVDRYLFLKRF-KRWDZBQOSA-N 1 3 326.485 0.287 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2(N)Cc3ccccc3C2)C1 ZINC000649313285 440457435 /nfs/dbraw/zinc/45/74/35/440457435.db2.gz XZDBYZBLAQKFRR-MRXNPFEDSA-N 1 3 344.459 0.186 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2(N)Cc3ccccc3C2)C1 ZINC000649313285 440457439 /nfs/dbraw/zinc/45/74/39/440457439.db2.gz XZDBYZBLAQKFRR-MRXNPFEDSA-N 1 3 344.459 0.186 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659724485 440460268 /nfs/dbraw/zinc/46/02/68/440460268.db2.gz OXKJWGKDGWPHQM-INIZCTEOSA-N 1 3 348.491 0.936 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C(C)(C)C(N)=O)CC2)CC1 ZINC000655119194 440485174 /nfs/dbraw/zinc/48/51/74/440485174.db2.gz PWCZQLPQZSJSBW-UHFFFAOYSA-N 1 3 338.496 0.905 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc2[nH]c1=O ZINC000638243380 440487643 /nfs/dbraw/zinc/48/76/43/440487643.db2.gz OLCQODVYLWNGBQ-JYAVWHMHSA-N 1 3 329.404 0.251 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638264905 440489194 /nfs/dbraw/zinc/48/91/94/440489194.db2.gz YXVJFYNVZCFQND-SJORKVTESA-N 1 3 341.496 0.819 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000638304274 440504447 /nfs/dbraw/zinc/50/44/47/440504447.db2.gz ZLIOJAHVSUIEQQ-BBWFWOEESA-N 1 3 333.432 0.510 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)CN(C)C(C)C)C1 ZINC000659855820 440518990 /nfs/dbraw/zinc/51/89/90/440518990.db2.gz MHLMKIRKMUBSHI-BZUAXINKSA-N 1 3 329.485 0.551 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)CN(C)C(C)C)C1 ZINC000659855820 440518995 /nfs/dbraw/zinc/51/89/95/440518995.db2.gz MHLMKIRKMUBSHI-BZUAXINKSA-N 1 3 329.485 0.551 20 0 ECADHO CNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665757380 440525492 /nfs/dbraw/zinc/52/54/92/440525492.db2.gz IAFLVAITJJRAKZ-GJZGRUSLSA-N 1 3 341.500 0.426 20 0 ECADHO CNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665757380 440525512 /nfs/dbraw/zinc/52/55/12/440525512.db2.gz IAFLVAITJJRAKZ-GJZGRUSLSA-N 1 3 341.500 0.426 20 0 ECADHO C[C@H](C(=O)NC[C@H]1CCCN1C)[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000628647974 440526044 /nfs/dbraw/zinc/52/60/44/440526044.db2.gz XAWLDXUIJVRRCC-CAOSSQGBSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](C(=O)NC[C@H]1CCCN1C)[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000628647974 440526051 /nfs/dbraw/zinc/52/60/51/440526051.db2.gz XAWLDXUIJVRRCC-CAOSSQGBSA-N 1 3 338.496 0.679 20 0 ECADHO CCN1CCN(CCCCNC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000649351086 440482551 /nfs/dbraw/zinc/48/25/51/440482551.db2.gz LRHGTLUWZNMJFM-KRWDZBQOSA-N 1 3 326.485 0.146 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000659744904 440483772 /nfs/dbraw/zinc/48/37/72/440483772.db2.gz SHBJGXALZPYSPJ-MRXNPFEDSA-N 1 3 338.496 0.953 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCc4[nH]cnc4C3)C2)CC1 ZINC000633865437 440558068 /nfs/dbraw/zinc/55/80/68/440558068.db2.gz NDNQHULIFAKANL-KGLIPLIRSA-N 1 3 346.479 0.735 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCc4[nH]cnc4C3)C2)CC1 ZINC000633865437 440558072 /nfs/dbraw/zinc/55/80/72/440558072.db2.gz NDNQHULIFAKANL-KGLIPLIRSA-N 1 3 346.479 0.735 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)ccc2[nH]c1=O ZINC000638433344 440538439 /nfs/dbraw/zinc/53/84/39/440538439.db2.gz YSASYPICOJUREA-CHWSQXEVSA-N 1 3 349.410 0.815 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638728276 440608848 /nfs/dbraw/zinc/60/88/48/440608848.db2.gz MFSUJZXTYHZQDV-RDJZCZTQSA-N 1 3 339.480 0.857 20 0 ECADHO CC(C)(CNC1CC[NH+](C[C@@H]2CCCO2)CC1)NS(C)(=O)=O ZINC000655727986 440618816 /nfs/dbraw/zinc/61/88/16/440618816.db2.gz SEROFKHXLZEKJW-AWEZNQCLSA-N 1 3 333.498 0.547 20 0 ECADHO O=C(CNC[C@H]1CCCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638777123 440622030 /nfs/dbraw/zinc/62/20/30/440622030.db2.gz BXOIMYLSUHZCKI-HZPDHXFCSA-N 1 3 325.453 0.372 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCOc3ccc(C[NH3+])cc32)CC1=O ZINC000638805552 440627598 /nfs/dbraw/zinc/62/75/98/440627598.db2.gz KCSCZRBHBSHGON-AWEZNQCLSA-N 1 3 346.431 0.281 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020704 440665935 /nfs/dbraw/zinc/66/59/35/440665935.db2.gz LCILDDDBZMVYOK-HZPDHXFCSA-N 1 3 327.469 0.572 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655924679 440645665 /nfs/dbraw/zinc/64/56/65/440645665.db2.gz OFCQWQBHYHQKJJ-NSHDSACASA-N 1 3 339.406 0.591 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656029375 440700544 /nfs/dbraw/zinc/70/05/44/440700544.db2.gz ZAHWLHCCDHBRJR-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1=O ZINC000634768298 440706139 /nfs/dbraw/zinc/70/61/39/440706139.db2.gz DSVFQKMTVJULGC-MKSNKDDYSA-N 1 3 348.491 0.578 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000656306493 440757009 /nfs/dbraw/zinc/75/70/09/440757009.db2.gz ARBQXPQNDQRSCZ-CABCVRRESA-N 1 3 339.484 0.275 20 0 ECADHO C[NH2+]CCOCCN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000629528682 440717620 /nfs/dbraw/zinc/71/76/20/440717620.db2.gz GOUBVAJYXVWIFQ-ZDUSSCGKSA-N 1 3 329.466 0.824 20 0 ECADHO C[C@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)C(C)(C)C[NH+](C)C ZINC000650971184 440717641 /nfs/dbraw/zinc/71/76/41/440717641.db2.gz PCZMKGQJERAWPE-AWEZNQCLSA-N 1 3 341.500 0.378 20 0 ECADHO O[C@H](C[NH2+]CCN1CCN(c2ccccc2)CC1)CN1CCCC1 ZINC000629554714 440726775 /nfs/dbraw/zinc/72/67/75/440726775.db2.gz NJSHOMNHFUSEBQ-LJQANCHMSA-N 1 3 332.492 0.855 20 0 ECADHO O[C@H](CNCc1ccccc1CN1CC[C@H](O)C1)C[NH+]1CCCC1 ZINC000629574900 440734309 /nfs/dbraw/zinc/73/43/09/440734309.db2.gz PTDFCVORFJKVTG-RBUKOAKNSA-N 1 3 333.476 0.800 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000667067814 440734359 /nfs/dbraw/zinc/73/43/59/440734359.db2.gz XAKGCHFPUDXYMT-CQSZACIVSA-N 1 3 348.447 0.953 20 0 ECADHO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629584360 440739863 /nfs/dbraw/zinc/73/98/63/440739863.db2.gz SLKDUDXGJJMOLI-ZCNNSNEGSA-N 1 3 347.503 0.916 20 0 ECADHO C[N@H+](C[C@H](O)CNCC1(OCCO)CCC(F)(F)CC1)C1CC1 ZINC000629590670 440741575 /nfs/dbraw/zinc/74/15/75/440741575.db2.gz DXDZNFXOWNVZLK-CQSZACIVSA-N 1 3 336.423 0.988 20 0 ECADHO C[N@@H+](C[C@H](O)CNCC1(OCCO)CCC(F)(F)CC1)C1CC1 ZINC000629590670 440741579 /nfs/dbraw/zinc/74/15/79/440741579.db2.gz DXDZNFXOWNVZLK-CQSZACIVSA-N 1 3 336.423 0.988 20 0 ECADHO CN1CCN(C(=O)CC[N@@H+]2CCCN(c3ccncc3)CC2)CC1 ZINC000639683986 440761062 /nfs/dbraw/zinc/76/10/62/440761062.db2.gz PQPDKDUIXZPOFR-UHFFFAOYSA-N 1 3 331.464 0.758 20 0 ECADHO CN1CCN(C(=O)CC[N@H+]2CCCN(c3ccncc3)CC2)CC1 ZINC000639683986 440761068 /nfs/dbraw/zinc/76/10/68/440761068.db2.gz PQPDKDUIXZPOFR-UHFFFAOYSA-N 1 3 331.464 0.758 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629788412 440762457 /nfs/dbraw/zinc/76/24/57/440762457.db2.gz QPCFSQKJRZWRJG-HDICACEKSA-N 1 3 338.496 0.491 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000629794186 440762964 /nfs/dbraw/zinc/76/29/64/440762964.db2.gz NJBDWMATEDIOOR-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645209535 440763158 /nfs/dbraw/zinc/76/31/58/440763158.db2.gz NZEIXBYNIGSAMF-KBPBESRZSA-N 1 3 327.473 0.478 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645209535 440763164 /nfs/dbraw/zinc/76/31/64/440763164.db2.gz NZEIXBYNIGSAMF-KBPBESRZSA-N 1 3 327.473 0.478 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1=CC[N@H+](C)CC1 ZINC000656336217 440775297 /nfs/dbraw/zinc/77/52/97/440775297.db2.gz XRXUFQZWNVTOEL-UAGQMJEPSA-N 1 3 348.491 0.886 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1=CC[N@@H+](C)CC1 ZINC000656336217 440775303 /nfs/dbraw/zinc/77/53/03/440775303.db2.gz XRXUFQZWNVTOEL-UAGQMJEPSA-N 1 3 348.491 0.886 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000661024893 440780272 /nfs/dbraw/zinc/78/02/72/440780272.db2.gz LXPMGQWQFKTCNW-HNNXBMFYSA-N 1 3 326.485 0.774 20 0 ECADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757619 440786595 /nfs/dbraw/zinc/78/65/95/440786595.db2.gz JQBJPPQJLYZQMF-GJZGRUSLSA-N 1 3 336.480 0.517 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000661129125 440795115 /nfs/dbraw/zinc/79/51/15/440795115.db2.gz GDGRELKGGMWHMS-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000661129125 440795120 /nfs/dbraw/zinc/79/51/20/440795120.db2.gz GDGRELKGGMWHMS-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CCn1cnnc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000656540596 440818592 /nfs/dbraw/zinc/81/85/92/440818592.db2.gz MODCEPJSAFSQKH-ZDUSSCGKSA-N 1 3 325.461 0.369 20 0 ECADHO CCn1cnnc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000656540596 440818599 /nfs/dbraw/zinc/81/85/99/440818599.db2.gz MODCEPJSAFSQKH-ZDUSSCGKSA-N 1 3 325.461 0.369 20 0 ECADHO CCc1ccncc1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000651704058 440913536 /nfs/dbraw/zinc/91/35/36/440913536.db2.gz WOUBFBSSVIHVAY-UHFFFAOYSA-N 1 3 335.452 0.534 20 0 ECADHO CCc1ccncc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000651704058 440913538 /nfs/dbraw/zinc/91/35/38/440913538.db2.gz WOUBFBSSVIHVAY-UHFFFAOYSA-N 1 3 335.452 0.534 20 0 ECADHO O=C(N[C@@H](CO)CN1CCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000640322801 440899806 /nfs/dbraw/zinc/89/98/06/440899806.db2.gz XRKVNVDMTFFXLD-CVEARBPZSA-N 1 3 341.521 0.777 20 0 ECADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](CN)c3ccccc3)CC2)C1 ZINC000646002937 440967360 /nfs/dbraw/zinc/96/73/60/440967360.db2.gz KKHHHTAETATTEF-ROUUACIJSA-N 1 3 330.476 0.967 20 0 ECADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](CN)c3ccccc3)CC2)C1 ZINC000646002937 440967365 /nfs/dbraw/zinc/96/73/65/440967365.db2.gz KKHHHTAETATTEF-ROUUACIJSA-N 1 3 330.476 0.967 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000635779290 440980553 /nfs/dbraw/zinc/98/05/53/440980553.db2.gz JJWJSRWHLSPNOQ-CVEARBPZSA-N 1 3 327.469 0.524 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000635779290 440980554 /nfs/dbraw/zinc/98/05/54/440980554.db2.gz JJWJSRWHLSPNOQ-CVEARBPZSA-N 1 3 327.469 0.524 20 0 ECADHO CCN1CCC(NC(=O)Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000640866535 441013255 /nfs/dbraw/zinc/01/32/55/441013255.db2.gz IHAHNKJZNNCPNR-CQSZACIVSA-N 1 3 334.468 0.421 20 0 ECADHO COCCNCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652212063 441033169 /nfs/dbraw/zinc/03/31/69/441033169.db2.gz UXGAHZLIZUKGKC-SOUVJXGZSA-N 1 3 328.457 0.150 20 0 ECADHO [NH3+]CC1(CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000652242043 441037148 /nfs/dbraw/zinc/03/71/48/441037148.db2.gz PKFYSHMTZOINPG-UHFFFAOYSA-N 1 3 337.468 0.065 20 0 ECADHO O=C(c1cnnn1C1CC[NH2+]CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000662453452 441044625 /nfs/dbraw/zinc/04/46/25/441044625.db2.gz ZLCGJZILPLFKSK-OAHLLOKOSA-N 1 3 332.452 0.903 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NCCC3CC[NH2+]CC3)CC2)C1 ZINC000652313025 441050350 /nfs/dbraw/zinc/05/03/50/441050350.db2.gz HDOQMCPTMJTLQB-QGZVFWFLSA-N 1 3 337.512 0.798 20 0 ECADHO CN(C)S(=O)(=O)CCCN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652362577 441060404 /nfs/dbraw/zinc/06/04/04/441060404.db2.gz KBQIUTMLJWOOLQ-RRFJBIMHSA-N 1 3 333.498 0.629 20 0 ECADHO COC[C@H]([NH3+])Cc1cn(C[C@H](O)CN(C)Cc2ccccc2)nn1 ZINC000641215085 441077930 /nfs/dbraw/zinc/07/79/30/441077930.db2.gz MSPDVVALTLYZHD-NVXWUHKLSA-N 1 3 333.436 0.287 20 0 ECADHO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)NC1CCN(C2CC2)CC1 ZINC000339947421 321005363 /nfs/dbraw/zinc/00/53/63/321005363.db2.gz IAPHHHLCEDFRCO-UHFFFAOYSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC(C)CC1)C1=CC[N@H+](C)CC1 ZINC000340208660 321022239 /nfs/dbraw/zinc/02/22/39/321022239.db2.gz DZQDKRNEXJLZAR-OAHLLOKOSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000340208660 321022241 /nfs/dbraw/zinc/02/22/41/321022241.db2.gz DZQDKRNEXJLZAR-OAHLLOKOSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCN1C ZINC000340254172 321029690 /nfs/dbraw/zinc/02/96/90/321029690.db2.gz SWKNJRRXMURPCP-HUUCEWRRSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000346157793 321216374 /nfs/dbraw/zinc/21/63/74/321216374.db2.gz ARMFIZBUVDTZMS-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO Cc1nn(C)c2ncc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cc12 ZINC000347219511 321234094 /nfs/dbraw/zinc/23/40/94/321234094.db2.gz SOVHVHHXWNSUDR-AWEZNQCLSA-N 1 3 330.436 0.564 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000347976486 321261747 /nfs/dbraw/zinc/26/17/47/321261747.db2.gz MUOPSSYNKCMNKO-BZUAXINKSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000351661733 321335769 /nfs/dbraw/zinc/33/57/69/321335769.db2.gz MCTFSAKELGPYMV-OAGGEKHMSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000351661733 321335770 /nfs/dbraw/zinc/33/57/70/321335770.db2.gz MCTFSAKELGPYMV-OAGGEKHMSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000557133876 322204496 /nfs/dbraw/zinc/20/44/96/322204496.db2.gz CKNZVNVWZNTXJW-HZPDHXFCSA-N 1 3 325.501 0.783 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000557133876 322204499 /nfs/dbraw/zinc/20/44/99/322204499.db2.gz CKNZVNVWZNTXJW-HZPDHXFCSA-N 1 3 325.501 0.783 20 0 ECADHO CCCCN1CCCC[C@@H]1C[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000562987102 322291235 /nfs/dbraw/zinc/29/12/35/322291235.db2.gz MIZYDAWXVMPGSL-MSOLQXFVSA-N 1 3 326.529 0.839 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1CNC[C@H](O)CN1CCN(C)CC1 ZINC000562987102 322291236 /nfs/dbraw/zinc/29/12/36/322291236.db2.gz MIZYDAWXVMPGSL-MSOLQXFVSA-N 1 3 326.529 0.839 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1CNC[C@H](O)CN1CCN(C)CC1 ZINC000562987102 322291237 /nfs/dbraw/zinc/29/12/37/322291237.db2.gz MIZYDAWXVMPGSL-MSOLQXFVSA-N 1 3 326.529 0.839 20 0 ECADHO N[C@H](CC(F)F)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000563159746 322302533 /nfs/dbraw/zinc/30/25/33/322302533.db2.gz KRMHBLRDZHQHRK-GFCCVEGCSA-N 1 3 342.390 0.892 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000563899554 322352524 /nfs/dbraw/zinc/35/25/24/322352524.db2.gz AQGKVNVHAULMMT-HNNXBMFYSA-N 1 3 326.485 0.727 20 0 ECADHO CC1CC[NH+](CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000564100958 322362603 /nfs/dbraw/zinc/36/26/03/322362603.db2.gz PCYOZKKABSCUSQ-LSDHHAIUSA-N 1 3 337.468 0.062 20 0 ECADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000567801246 322598216 /nfs/dbraw/zinc/59/82/16/322598216.db2.gz JXIYHSNMBKYBOQ-JKSUJKDBSA-N 1 3 336.480 0.661 20 0 ECADHO O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000569106331 322643274 /nfs/dbraw/zinc/64/32/74/322643274.db2.gz VMSOEDKZFUIBMS-IKGGRYGDSA-N 1 3 348.491 0.531 20 0 ECADHO CCC[NH+](CCC)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572180917 322740671 /nfs/dbraw/zinc/74/06/71/322740671.db2.gz UQEZRDUIZNFWDP-CABCVRRESA-N 1 3 339.484 0.452 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000573548942 322763494 /nfs/dbraw/zinc/76/34/94/322763494.db2.gz MOKNDXYCBZDPME-SFHVURJKSA-N 1 3 347.463 0.917 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574585690 322782026 /nfs/dbraw/zinc/78/20/26/322782026.db2.gz FIFDMPYUTWICKR-CRAIPNDOSA-N 1 3 336.480 0.435 20 0 ECADHO CCN(CC)[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)c1ccco1 ZINC000580182678 322917877 /nfs/dbraw/zinc/91/78/77/322917877.db2.gz AMUGLKKGFXRLFT-IAGOWNOFSA-N 1 3 338.496 0.860 20 0 ECADHO Cc1ccc2c(c1)N(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000130557574 545786042 /nfs/dbraw/zinc/78/60/42/545786042.db2.gz VPUHTDGYBXQSCE-UHFFFAOYSA-N 1 3 346.475 0.836 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000342991981 546090495 /nfs/dbraw/zinc/09/04/95/546090495.db2.gz RPFPFUUDYMVQIM-KKUMJFAQSA-N 1 3 326.485 0.774 20 0 ECADHO CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cn(CC[NH3+])nn1 ZINC000382689487 546190686 /nfs/dbraw/zinc/19/06/86/546190686.db2.gz APGLYMRSSHVPOO-INIZCTEOSA-N 1 3 342.447 0.831 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CCN(C3CCCCC3)C1)C2 ZINC000621849235 546576994 /nfs/dbraw/zinc/57/69/94/546576994.db2.gz PUFNGOIWIJLKLC-CLCXKQKWSA-N 1 3 348.491 0.849 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625649613 547189345 /nfs/dbraw/zinc/18/93/45/547189345.db2.gz UPWNDMMJOHSIOJ-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625649613 547189347 /nfs/dbraw/zinc/18/93/47/547189347.db2.gz UPWNDMMJOHSIOJ-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625649613 547189353 /nfs/dbraw/zinc/18/93/53/547189353.db2.gz UPWNDMMJOHSIOJ-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO O=C(NCCN1CC[C@H](O)C1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000625899970 547251130 /nfs/dbraw/zinc/25/11/30/547251130.db2.gz HONLFFLNAVSHKL-JKSUJKDBSA-N 1 3 334.420 0.536 20 0 ECADHO C[C@@H]1C[C@@H]1C[N@H+](CCCCN(C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000625932064 547254528 /nfs/dbraw/zinc/25/45/28/547254528.db2.gz OZKACHXFACIONU-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1C[C@@H]1C[N@@H+](CCCCN(C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000625932064 547254532 /nfs/dbraw/zinc/25/45/32/547254532.db2.gz OZKACHXFACIONU-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO C[N@@H+]1CC[C@H](NC(=O)NCCN2CC[C@H](O)C2)[C@@H]1c1ccccc1 ZINC000636984906 547391994 /nfs/dbraw/zinc/39/19/94/547391994.db2.gz MLPMXCRMBVVJRB-ULQDDVLXSA-N 1 3 332.448 0.798 20 0 ECADHO C[N@H+]1CC[C@H](NC(=O)NCCN2CC[C@H](O)C2)[C@@H]1c1ccccc1 ZINC000636984906 547391995 /nfs/dbraw/zinc/39/19/95/547391995.db2.gz MLPMXCRMBVVJRB-ULQDDVLXSA-N 1 3 332.448 0.798 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccnc(OCCO)c1 ZINC000668126646 547592143 /nfs/dbraw/zinc/59/21/43/547592143.db2.gz DLCJONXRSRGGRR-UHFFFAOYSA-N 1 3 339.440 0.410 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668498199 547669298 /nfs/dbraw/zinc/66/92/98/547669298.db2.gz HQXRSJRMMKSGBM-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668498199 547669300 /nfs/dbraw/zinc/66/93/00/547669300.db2.gz HQXRSJRMMKSGBM-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(C(=O)C(=O)NCCN1CCC(C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668497280 547669356 /nfs/dbraw/zinc/66/93/56/547669356.db2.gz GZHJKYDLYXLSLF-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NCCN1CCC(C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668497280 547669361 /nfs/dbraw/zinc/66/93/61/547669361.db2.gz GZHJKYDLYXLSLF-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(CC)C1 ZINC000668548710 547683848 /nfs/dbraw/zinc/68/38/48/547683848.db2.gz OKXWJXIHQIIPPR-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(CC)C1 ZINC000668548710 547683852 /nfs/dbraw/zinc/68/38/52/547683852.db2.gz OKXWJXIHQIIPPR-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)[C@H]1CCN(CC)C1 ZINC000668752732 547742176 /nfs/dbraw/zinc/74/21/76/547742176.db2.gz STYSNXIQKBJJLV-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC)[C@H]1CCN(CC)C1 ZINC000668794961 547751296 /nfs/dbraw/zinc/75/12/96/547751296.db2.gz BSYGORKRULFHMR-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC)[C@H]1CCN(CC)C1 ZINC000668794961 547751300 /nfs/dbraw/zinc/75/13/00/547751300.db2.gz BSYGORKRULFHMR-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)NC[C@@H](C)[NH3+])cc2)CC1 ZINC000669236497 547856747 /nfs/dbraw/zinc/85/67/47/547856747.db2.gz NERRHXNMWWFGJK-OAHLLOKOSA-N 1 3 333.480 0.971 20 0 ECADHO O=C(NCC1C[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000669570375 547908111 /nfs/dbraw/zinc/90/81/11/547908111.db2.gz CCPLMVMQEMVJTP-KRWDZBQOSA-N 1 3 332.448 0.796 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1(C)C ZINC000669580077 547908982 /nfs/dbraw/zinc/90/89/82/547908982.db2.gz CHEOHLQXGKRWMY-GOSISDBHSA-N 1 3 337.512 0.798 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671122235 548095175 /nfs/dbraw/zinc/09/51/75/548095175.db2.gz AVXBSURMCZTFRR-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000671122235 548095177 /nfs/dbraw/zinc/09/51/77/548095177.db2.gz AVXBSURMCZTFRR-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671179923 548105391 /nfs/dbraw/zinc/10/53/91/548105391.db2.gz KYRQOQMTPOAQDR-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671179923 548105393 /nfs/dbraw/zinc/10/53/93/548105393.db2.gz KYRQOQMTPOAQDR-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000671375909 548131235 /nfs/dbraw/zinc/13/12/35/548131235.db2.gz KSZVVQFTRAMUDT-MRXNPFEDSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](NC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672011164 548254455 /nfs/dbraw/zinc/25/44/55/548254455.db2.gz HCAOUMHMOUFFRZ-OFQRWUPVSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000672204335 548281347 /nfs/dbraw/zinc/28/13/47/548281347.db2.gz KEZOSDZURMSKKA-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000672307906 548304699 /nfs/dbraw/zinc/30/46/99/548304699.db2.gz RIZBCQZRUUMOHM-DLBZAZTESA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672310668 548307147 /nfs/dbraw/zinc/30/71/47/548307147.db2.gz CTBFKAHQHHFDPS-FVQBIDKESA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672310668 548307149 /nfs/dbraw/zinc/30/71/49/548307149.db2.gz CTBFKAHQHHFDPS-FVQBIDKESA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672310670 548307757 /nfs/dbraw/zinc/30/77/57/548307757.db2.gz CTBFKAHQHHFDPS-VNQPRFMTSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672310670 548307761 /nfs/dbraw/zinc/30/77/61/548307761.db2.gz CTBFKAHQHHFDPS-VNQPRFMTSA-N 1 3 336.480 0.386 20 0 ECADHO COC1CCN(CCNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000674331722 548615774 /nfs/dbraw/zinc/61/57/74/548615774.db2.gz ILFJVRHRHJQXIG-INIZCTEOSA-N 1 3 344.525 0.834 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000675086376 548707315 /nfs/dbraw/zinc/70/73/15/548707315.db2.gz NFGJYVHGCHBCIO-ZBFHGGJFSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000675086376 548707320 /nfs/dbraw/zinc/70/73/20/548707320.db2.gz NFGJYVHGCHBCIO-ZBFHGGJFSA-N 1 3 337.512 0.794 20 0 ECADHO C[NH+](C)CCN1C(=O)C[C@H](N2CCC[C@@H](C[C@@H]3CCOC3)C2)C1=O ZINC000678611489 549038822 /nfs/dbraw/zinc/03/88/22/549038822.db2.gz QHGYBOPFUWUVKW-JYJNAYRXSA-N 1 3 337.464 0.814 20 0 ECADHO CN1CCC(NC(=S)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000734308513 578356128 /nfs/dbraw/zinc/35/61/28/578356128.db2.gz FTOWUSAYGWADOX-INIZCTEOSA-N 1 3 339.553 0.667 20 0 ECADHO CN1CCC(NC(=S)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000734308513 578356130 /nfs/dbraw/zinc/35/61/30/578356130.db2.gz FTOWUSAYGWADOX-INIZCTEOSA-N 1 3 339.553 0.667 20 0 ECADHO CC[NH+]1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736565688 578436932 /nfs/dbraw/zinc/43/69/32/578436932.db2.gz NZGGPQXNFDLVFU-CYBMUJFWSA-N 1 3 345.455 0.426 20 0 ECADHO CC[NH+]1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736565688 578436933 /nfs/dbraw/zinc/43/69/33/578436933.db2.gz NZGGPQXNFDLVFU-CYBMUJFWSA-N 1 3 345.455 0.426 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=S)NCCC[NH+](C)C ZINC000782409532 578725247 /nfs/dbraw/zinc/72/52/47/578725247.db2.gz SKZUZGCBONJMIK-CQSZACIVSA-N 1 3 328.526 0.998 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000788795585 578843883 /nfs/dbraw/zinc/84/38/83/578843883.db2.gz ALDLOXFKUZILQY-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCCCC1 ZINC000788795585 578843884 /nfs/dbraw/zinc/84/38/84/578843884.db2.gz ALDLOXFKUZILQY-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@H]3C[N@H+](C)CC[C@H]31)C2=O ZINC000768499844 579126906 /nfs/dbraw/zinc/12/69/06/579126906.db2.gz MQZLGTGAFFFRQI-LSDHHAIUSA-N 1 3 349.479 0.376 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@H]3C[N@@H+](C)CC[C@H]31)C2=O ZINC000768499844 579126907 /nfs/dbraw/zinc/12/69/07/579126907.db2.gz MQZLGTGAFFFRQI-LSDHHAIUSA-N 1 3 349.479 0.376 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760477147 579511095 /nfs/dbraw/zinc/51/10/95/579511095.db2.gz VBUFFKFLJFNALO-HNNXBMFYSA-N 1 3 341.569 0.818 20 0 ECADHO [NH3+]CCOc1cccc(NC(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000841281871 588985641 /nfs/dbraw/zinc/98/56/41/588985641.db2.gz MCRYHLIMVWOXIJ-OAHLLOKOSA-N 1 3 336.436 0.992 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000842016798 589008471 /nfs/dbraw/zinc/00/84/71/589008471.db2.gz YKXDQHZERBMSNX-RDBSUJKOSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842053178 589009612 /nfs/dbraw/zinc/00/96/12/589009612.db2.gz KUFJXWAWIMNBHQ-QRNKSROTSA-N 1 3 338.496 0.951 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000842096475 589011751 /nfs/dbraw/zinc/01/17/51/589011751.db2.gz BSSFSQJMJIGHKO-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842098114 589011871 /nfs/dbraw/zinc/01/18/71/589011871.db2.gz RESFXLGPJRPMAN-QAPCUYQASA-N 1 3 336.480 0.579 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000842234049 589023593 /nfs/dbraw/zinc/02/35/93/589023593.db2.gz NUHVFOKGCCZYMI-UHFFFAOYSA-N 1 3 332.448 0.575 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000842233645 589023581 /nfs/dbraw/zinc/02/35/81/589023581.db2.gz YVGFSKARHJKALG-MRXNPFEDSA-N 1 3 332.448 0.575 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)N1CCN(C)CC1 ZINC000891753520 586194612 /nfs/dbraw/zinc/19/46/12/586194612.db2.gz YQKVVBQBCPGRQL-IKGGRYGDSA-N 1 3 337.512 0.604 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)N1CCN(C)CC1 ZINC000891753520 586194615 /nfs/dbraw/zinc/19/46/15/586194615.db2.gz YQKVVBQBCPGRQL-IKGGRYGDSA-N 1 3 337.512 0.604 20 0 ECADHO CN1CCC(O)(CNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000892400063 586262956 /nfs/dbraw/zinc/26/29/56/586262956.db2.gz KUNYZCKHVWNTNB-INIZCTEOSA-N 1 3 334.464 0.702 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)C1 ZINC000892470218 586267697 /nfs/dbraw/zinc/26/76/97/586267697.db2.gz MKKMFPPBJNADNL-PQUAAJSLSA-N 1 3 335.496 0.774 20 0 ECADHO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000897021959 586281660 /nfs/dbraw/zinc/28/16/60/586281660.db2.gz KLEFOIOJYDWPIU-GJZGRUSLSA-N 1 3 336.480 0.624 20 0 ECADHO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000897021959 586281661 /nfs/dbraw/zinc/28/16/61/586281661.db2.gz KLEFOIOJYDWPIU-GJZGRUSLSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000897447205 586324402 /nfs/dbraw/zinc/32/44/02/586324402.db2.gz NWKKOLFGTIACTR-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000897447205 586324405 /nfs/dbraw/zinc/32/44/05/586324405.db2.gz NWKKOLFGTIACTR-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H]1CCN(CCNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000893864575 586364306 /nfs/dbraw/zinc/36/43/06/586364306.db2.gz CJWOIXAMOTZYHY-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C)CCNC3=O)CC2)CC1 ZINC000889028916 586416225 /nfs/dbraw/zinc/41/62/25/586416225.db2.gz ILDIMZSRZLPPBF-SFHVURJKSA-N 1 3 336.480 0.578 20 0 ECADHO CCOC(=O)N1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)[C@@H](CO)C1 ZINC000898356242 586418033 /nfs/dbraw/zinc/41/80/33/586418033.db2.gz MHCHHJXHCFKSBD-ZBFHGGJFSA-N 1 3 325.453 0.900 20 0 ECADHO C[C@]1(CNCC2CCN(S(=O)(=O)C(F)F)CC2)CC[NH2+]C1 ZINC000843126951 589051844 /nfs/dbraw/zinc/05/18/44/589051844.db2.gz YCBLPJOJGDXYID-ZDUSSCGKSA-N 1 3 325.425 0.840 20 0 ECADHO CN1CCCN(c2ccc(-c3noc(COCC[NH3+])n3)cn2)CC1 ZINC000843204438 589053470 /nfs/dbraw/zinc/05/34/70/589053470.db2.gz ANAZKFBPQCGPGD-UHFFFAOYSA-N 1 3 332.408 0.749 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900694369 586653725 /nfs/dbraw/zinc/65/37/25/586653725.db2.gz GQSBPEPTRKIEDX-FUHWJXTLSA-N 1 3 340.512 0.223 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900694369 586653727 /nfs/dbraw/zinc/65/37/27/586653727.db2.gz GQSBPEPTRKIEDX-FUHWJXTLSA-N 1 3 340.512 0.223 20 0 ECADHO CN(C)CCn1nccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000900759931 586660058 /nfs/dbraw/zinc/66/00/58/586660058.db2.gz OEYXSMVTGNJLIR-OAHLLOKOSA-N 1 3 349.479 0.675 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000900760488 586660477 /nfs/dbraw/zinc/66/04/77/586660477.db2.gz WERHETBTZFAZJN-MAUKXSAKSA-N 1 3 339.480 0.450 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000901162131 586699707 /nfs/dbraw/zinc/69/97/07/586699707.db2.gz LFCVEVIXTMPVBJ-CUSZFKRNSA-N 1 3 339.480 0.543 20 0 ECADHO [NH3+][C@@H]1CC[C@H](CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000903454393 586777014 /nfs/dbraw/zinc/77/70/14/586777014.db2.gz BHIFJTRGNJCUFE-JKSUJKDBSA-N 1 3 346.479 0.563 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NCc1cccc(C)c1)C2 ZINC000903493199 586779285 /nfs/dbraw/zinc/77/92/85/586779285.db2.gz OXGOQWLLQDLXLY-FCEWJHQRSA-N 1 3 345.443 0.824 20 0 ECADHO CC1(C)C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1N ZINC000903558787 586789474 /nfs/dbraw/zinc/78/94/74/586789474.db2.gz OYLOMKCVAWGGCL-CQSZACIVSA-N 1 3 332.452 0.184 20 0 ECADHO CC1(C)C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1N ZINC000903558787 586789476 /nfs/dbraw/zinc/78/94/76/586789476.db2.gz OYLOMKCVAWGGCL-CQSZACIVSA-N 1 3 332.452 0.184 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903731147 586803035 /nfs/dbraw/zinc/80/30/35/586803035.db2.gz XOPRVZIGRRVYAN-IIAWOOMASA-N 1 3 338.496 0.618 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903736763 586805884 /nfs/dbraw/zinc/80/58/84/586805884.db2.gz MICWRPMJLLKHGW-SJLPKXTDSA-N 1 3 338.496 0.241 20 0 ECADHO COCCOCCOCCN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000903760937 586808283 /nfs/dbraw/zinc/80/82/83/586808283.db2.gz LKFWXBRTRPGISA-IRXDYDNUSA-N 1 3 330.469 0.884 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000903769709 586810140 /nfs/dbraw/zinc/81/01/40/586810140.db2.gz MJWGYEZLMZLPPR-DZQJYWQESA-N 1 3 337.420 0.047 20 0 ECADHO CN(C)[C@H](CNC(=O)CN(C)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000903808214 586817061 /nfs/dbraw/zinc/81/70/61/586817061.db2.gz CUVLGGWDYMFFDP-QGZVFWFLSA-N 1 3 348.491 0.845 20 0 ECADHO Cn1cc([C@@H]2CN(Cc3ccc(N4CCNCC4)o3)C[C@H]2[NH3+])cn1 ZINC000904374768 586836186 /nfs/dbraw/zinc/83/61/86/586836186.db2.gz WOMWCXVQFQTRQZ-JKSUJKDBSA-N 1 3 330.436 0.349 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@]32CN)CC1 ZINC000904971898 586851413 /nfs/dbraw/zinc/85/14/13/586851413.db2.gz KHDZELYMNXVRES-KSSFIOAISA-N 1 3 336.480 0.705 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2CC[C@@]21CN ZINC000904971869 586851437 /nfs/dbraw/zinc/85/14/37/586851437.db2.gz KBGFPQFUJCIETE-KBXCAEBGSA-N 1 3 338.496 0.763 20 0 ECADHO NC[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000905004893 586858049 /nfs/dbraw/zinc/85/80/49/586858049.db2.gz CAIHGDXKHNDGJG-RLFYNMQTSA-N 1 3 334.464 0.271 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[C@]43CN)CC[C@H]21 ZINC000905007449 586859353 /nfs/dbraw/zinc/85/93/53/586859353.db2.gz IBYNODKWOGOFNF-FSZRXZPDSA-N 1 3 334.464 0.269 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[C@]43CN)CC[C@H]21 ZINC000905007449 586859356 /nfs/dbraw/zinc/85/93/56/586859356.db2.gz IBYNODKWOGOFNF-FSZRXZPDSA-N 1 3 334.464 0.269 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC[C@H](O)C[C@]2(O)CCOC2)c1 ZINC000905089742 586867973 /nfs/dbraw/zinc/86/79/73/586867973.db2.gz PVWUCDMUCQJIAI-SJLPKXTDSA-N 1 3 338.448 0.619 20 0 ECADHO C[NH+](C)CCOc1cc(CNC[C@H](O)C[C@]2(O)CCOC2)ccn1 ZINC000905189942 586875747 /nfs/dbraw/zinc/87/57/47/586875747.db2.gz JXNNXTBKFHOUTH-NVXWUHKLSA-N 1 3 339.436 0.014 20 0 ECADHO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)C1(O)CCC1 ZINC000905360353 586886467 /nfs/dbraw/zinc/88/64/67/586886467.db2.gz MLPBHQZPEMRJSD-RCCFBDPRSA-N 1 3 334.460 0.735 20 0 ECADHO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)C1(O)CCC1 ZINC000905360353 586886469 /nfs/dbraw/zinc/88/64/69/586886469.db2.gz MLPBHQZPEMRJSD-RCCFBDPRSA-N 1 3 334.460 0.735 20 0 ECADHO CCN1CCN(C[C@@H](C)CNS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905337295 586887871 /nfs/dbraw/zinc/88/78/71/586887871.db2.gz DVMSNMYXFWGACS-HNNXBMFYSA-N 1 3 346.541 0.179 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(=O)N1C ZINC000906489040 586950833 /nfs/dbraw/zinc/95/08/33/586950833.db2.gz RMYOXMHMWDHGNJ-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(=O)N1C ZINC000906489040 586950836 /nfs/dbraw/zinc/95/08/36/586950836.db2.gz RMYOXMHMWDHGNJ-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2CN)CCOCC1 ZINC000906652548 586961628 /nfs/dbraw/zinc/96/16/28/586961628.db2.gz LVQOBIWOVPBGEW-UHFFFAOYSA-N 1 3 334.420 0.311 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000906705483 586968883 /nfs/dbraw/zinc/96/88/83/586968883.db2.gz MHUOXFMLILTKPU-OAHLLOKOSA-N 1 3 332.448 0.843 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000906707435 586969334 /nfs/dbraw/zinc/96/93/34/586969334.db2.gz UPASKNYJSQGEQK-OAHLLOKOSA-N 1 3 348.447 0.680 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906728019 586971812 /nfs/dbraw/zinc/97/18/12/586971812.db2.gz UEWDJQWWOAKZHW-VNQPRFMTSA-N 1 3 330.432 0.738 20 0 ECADHO COCC1(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CC[NH2+]CC1 ZINC000844169631 589097827 /nfs/dbraw/zinc/09/78/27/589097827.db2.gz BGWRXMQZEKTZFN-INIZCTEOSA-N 1 3 339.480 0.762 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000817926986 587392324 /nfs/dbraw/zinc/39/23/24/587392324.db2.gz WZPKSKZEBSXYAA-INIZCTEOSA-N 1 3 332.448 0.179 20 0 ECADHO O=C(CCOC1CNC1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000818540940 587438010 /nfs/dbraw/zinc/43/80/10/587438010.db2.gz MXQFPYFICGVTIH-UHFFFAOYSA-N 1 3 347.415 0.912 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844192057 589102014 /nfs/dbraw/zinc/10/20/14/589102014.db2.gz GCYZYGHQWNMLSD-HZPDHXFCSA-N 1 3 326.485 0.145 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC1)OCCO2 ZINC000820062629 587506483 /nfs/dbraw/zinc/50/64/83/587506483.db2.gz GCIRLFOCVSTZBA-HNNXBMFYSA-N 1 3 342.484 0.807 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC1)OCCO2 ZINC000820062629 587506484 /nfs/dbraw/zinc/50/64/84/587506484.db2.gz GCIRLFOCVSTZBA-HNNXBMFYSA-N 1 3 342.484 0.807 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@H]1CCO ZINC000820081048 587507630 /nfs/dbraw/zinc/50/76/30/587507630.db2.gz RZADAGIIHVGQKH-LSDHHAIUSA-N 1 3 330.473 0.051 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@H]1CCO ZINC000820081048 587507631 /nfs/dbraw/zinc/50/76/31/587507631.db2.gz RZADAGIIHVGQKH-LSDHHAIUSA-N 1 3 330.473 0.051 20 0 ECADHO COC(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1C ZINC000820080697 587507881 /nfs/dbraw/zinc/50/78/81/587507881.db2.gz ISEQNDKXBKIDNY-ZNMIVQPWSA-N 1 3 342.484 0.851 20 0 ECADHO COC(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1C ZINC000820080697 587507882 /nfs/dbraw/zinc/50/78/82/587507882.db2.gz ISEQNDKXBKIDNY-ZNMIVQPWSA-N 1 3 342.484 0.851 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827220828 588105475 /nfs/dbraw/zinc/10/54/75/588105475.db2.gz VBPBHFWWEGUWPD-JKSUJKDBSA-N 1 3 327.469 0.524 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827220828 588105477 /nfs/dbraw/zinc/10/54/77/588105477.db2.gz VBPBHFWWEGUWPD-JKSUJKDBSA-N 1 3 327.469 0.524 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000828457545 588180291 /nfs/dbraw/zinc/18/02/91/588180291.db2.gz USFJRUVYTPRBIJ-INIZCTEOSA-N 1 3 332.448 0.722 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831267855 588417931 /nfs/dbraw/zinc/41/79/31/588417931.db2.gz QJRMHJSDPGJZIB-OAHLLOKOSA-N 1 3 339.484 0.454 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCSC1 ZINC000867437714 589220379 /nfs/dbraw/zinc/22/03/79/589220379.db2.gz BQACZALJZWTOFS-CQSZACIVSA-N 1 3 344.525 0.198 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000846729316 589221153 /nfs/dbraw/zinc/22/11/53/589221153.db2.gz FHGDXZIZFKPPBB-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCNC(=O)C3)CC2)CC1 ZINC000847427401 589246781 /nfs/dbraw/zinc/24/67/81/589246781.db2.gz UKIOHHKBASVZCX-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO NC[C@@H]1CC(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)=NO1 ZINC000852795856 589512489 /nfs/dbraw/zinc/51/24/89/589512489.db2.gz JXAMZFHUZZDZFV-RYUDHWBXSA-N 1 3 346.387 0.638 20 0 ECADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(C2CC[NH2+]CC2)no1 ZINC000852799555 589512642 /nfs/dbraw/zinc/51/26/42/589512642.db2.gz UFFGXHUDAGBRLJ-KGLIPLIRSA-N 1 3 334.420 0.735 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000853822016 589560907 /nfs/dbraw/zinc/56/09/07/589560907.db2.gz DIDMQSGGLUTZFM-HUUCEWRRSA-N 1 3 341.500 0.521 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000855345764 589627478 /nfs/dbraw/zinc/62/74/78/589627478.db2.gz HYTMBKGNAPRSPT-XOVSCCBYSA-N 1 3 336.436 0.780 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000855345764 589627480 /nfs/dbraw/zinc/62/74/80/589627480.db2.gz HYTMBKGNAPRSPT-XOVSCCBYSA-N 1 3 336.436 0.780 20 0 ECADHO COc1ncc(/C=C/C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000855346720 589627728 /nfs/dbraw/zinc/62/77/28/589627728.db2.gz KCHWDVSSWPOCKN-NPQIQWPPSA-N 1 3 335.452 0.887 20 0 ECADHO COc1ncc(/C=C/C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000855346720 589627729 /nfs/dbraw/zinc/62/77/29/589627729.db2.gz KCHWDVSSWPOCKN-NPQIQWPPSA-N 1 3 335.452 0.887 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867443594 589786041 /nfs/dbraw/zinc/78/60/41/589786041.db2.gz LDEYYPFOKKPMPV-CVEARBPZSA-N 1 3 336.480 0.339 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867443594 589786044 /nfs/dbraw/zinc/78/60/44/589786044.db2.gz LDEYYPFOKKPMPV-CVEARBPZSA-N 1 3 336.480 0.339 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867570936 589807938 /nfs/dbraw/zinc/80/79/38/589807938.db2.gz BKYCKHKOLSVNFA-VVLHAWIVSA-N 1 3 348.491 0.624 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867570936 589807941 /nfs/dbraw/zinc/80/79/41/589807941.db2.gz BKYCKHKOLSVNFA-VVLHAWIVSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCC1(C)C ZINC000867741207 589833404 /nfs/dbraw/zinc/83/34/04/589833404.db2.gz WIWPXFDSWNQQCS-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCC1(C)C ZINC000867741207 589833405 /nfs/dbraw/zinc/83/34/05/589833405.db2.gz WIWPXFDSWNQQCS-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000861732822 589883163 /nfs/dbraw/zinc/88/31/63/589883163.db2.gz MBBBPDQLKPKNRS-ZBFHGGJFSA-N 1 3 334.464 0.991 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000868302052 589890237 /nfs/dbraw/zinc/89/02/37/589890237.db2.gz CKFBKFQVVNAZTA-BETUJISGSA-N 1 3 334.420 0.419 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CCC[C@H](N2CCCC2)C1 ZINC000868417009 589904009 /nfs/dbraw/zinc/90/40/09/589904009.db2.gz BMTUVFNKWDGADQ-JYJNAYRXSA-N 1 3 334.464 0.426 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870923920 590040162 /nfs/dbraw/zinc/04/01/62/590040162.db2.gz HZQGYCBUECSUDF-GJYPPUQNSA-N 1 3 344.459 0.722 20 0 ECADHO NC[C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000870998080 590044217 /nfs/dbraw/zinc/04/42/17/590044217.db2.gz UCKMOEPXRKVDNI-FPCVCCKLSA-N 1 3 344.415 0.122 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H]1CC2(CO1)CCOCC2 ZINC000872142887 590097519 /nfs/dbraw/zinc/09/75/19/590097519.db2.gz DKKKUBIAACVEJW-HZPDHXFCSA-N 1 3 339.480 0.892 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)CCCCCC[NH3+])CCC1 ZINC000872193346 590101419 /nfs/dbraw/zinc/10/14/19/590101419.db2.gz VJJJNUKGDADGPX-UHFFFAOYSA-N 1 3 326.485 0.907 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CCC1 ZINC000875245359 590286666 /nfs/dbraw/zinc/28/66/66/590286666.db2.gz BOQPQKSRSLULLH-UHFFFAOYSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCN(C=O)CC1 ZINC000875714249 590324048 /nfs/dbraw/zinc/32/40/48/590324048.db2.gz UNGSQDUINHHEIQ-HNNXBMFYSA-N 1 3 327.473 0.132 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCN(C=O)CC1 ZINC000875714249 590324051 /nfs/dbraw/zinc/32/40/51/590324051.db2.gz UNGSQDUINHHEIQ-HNNXBMFYSA-N 1 3 327.473 0.132 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000875714955 590324215 /nfs/dbraw/zinc/32/42/15/590324215.db2.gz KROMFIKDVBKRMK-BFHYXJOUSA-N 1 3 326.441 0.073 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000875714955 590324216 /nfs/dbraw/zinc/32/42/16/590324216.db2.gz KROMFIKDVBKRMK-BFHYXJOUSA-N 1 3 326.441 0.073 20 0 ECADHO CC(C)[NH+]1CCC(CCNC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000876028924 590351512 /nfs/dbraw/zinc/35/15/12/590351512.db2.gz HHTAVGYVXGHUEE-QGZVFWFLSA-N 1 3 326.485 0.863 20 0 ECADHO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752677 590409073 /nfs/dbraw/zinc/40/90/73/590409073.db2.gz WDKFDYPQAMUZPR-OGZRUICASA-N 1 3 334.464 0.309 20 0 ECADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000876768318 590412307 /nfs/dbraw/zinc/41/23/07/590412307.db2.gz HMTBASDSNGUOFA-OPCNFVSTSA-N 1 3 336.480 0.065 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876780981 590414262 /nfs/dbraw/zinc/41/42/62/590414262.db2.gz LHNACLJBXFLZGB-ZWKOTPCHSA-N 1 3 348.466 0.998 20 0 ECADHO CN(C)C[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000876784642 590415330 /nfs/dbraw/zinc/41/53/30/590415330.db2.gz IZFQXTLYIIYNEQ-HNNXBMFYSA-N 1 3 334.468 0.439 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000877081560 590437296 /nfs/dbraw/zinc/43/72/96/590437296.db2.gz PPZSAUIAWYGLSP-INIZCTEOSA-N 1 3 339.480 0.858 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2Cc3ccccc3CN2)cn1 ZINC000877338877 590459020 /nfs/dbraw/zinc/45/90/20/590459020.db2.gz NUFQXAKUHAHLTH-KRWDZBQOSA-N 1 3 327.432 0.889 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877343099 590459316 /nfs/dbraw/zinc/45/93/16/590459316.db2.gz ILLRPCJBBXEJTK-JKSUJKDBSA-N 1 3 330.432 0.075 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1)C(C)C ZINC000127023730 590512533 /nfs/dbraw/zinc/51/25/33/590512533.db2.gz NAODVEDPQXXXHO-UHFFFAOYSA-N 1 3 338.456 0.230 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1)C(C)C ZINC000127023730 590512534 /nfs/dbraw/zinc/51/25/34/590512534.db2.gz NAODVEDPQXXXHO-UHFFFAOYSA-N 1 3 338.456 0.230 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884875308 590638725 /nfs/dbraw/zinc/63/87/25/590638725.db2.gz ATYGOYLLCKXLHM-ZIAGYGMSSA-N 1 3 338.496 0.870 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000883645732 590640100 /nfs/dbraw/zinc/64/01/00/590640100.db2.gz UUEHTOUSLIDYNN-QAPCUYQASA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CCC[C@H](C)C1 ZINC000884923811 590650343 /nfs/dbraw/zinc/65/03/43/590650343.db2.gz VCYPFGBFMZESGV-VGWMRTNUSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CCN1c1ccncc1 ZINC000885193227 590694096 /nfs/dbraw/zinc/69/40/96/590694096.db2.gz RKZRCPQMTCYFTI-ZDUSSCGKSA-N 1 3 333.436 0.362 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884188647 590767487 /nfs/dbraw/zinc/76/74/87/590767487.db2.gz MTSSHSWFPNFUCX-OAHLLOKOSA-N 1 3 331.464 0.953 20 0 ECADHO C[C@H](CNC(=O)c1ccnc(N2CCNCC2)c1)C[NH+]1CCCC1 ZINC000884195276 590769835 /nfs/dbraw/zinc/76/98/35/590769835.db2.gz IARSIVBUVCOPEL-OAHLLOKOSA-N 1 3 331.464 0.953 20 0 ECADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000885893244 590780256 /nfs/dbraw/zinc/78/02/56/590780256.db2.gz MUUGAQJPPWGFPZ-WBVHZDCISA-N 1 3 325.453 0.203 20 0 ECADHO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000885893244 590780261 /nfs/dbraw/zinc/78/02/61/590780261.db2.gz MUUGAQJPPWGFPZ-WBVHZDCISA-N 1 3 325.453 0.203 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000884486205 590840831 /nfs/dbraw/zinc/84/08/31/590840831.db2.gz QMLWIXMQLZXZAT-UKRRQHHQSA-N 1 3 348.447 0.191 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)CN1C1CC1 ZINC000884554425 590855930 /nfs/dbraw/zinc/85/59/30/590855930.db2.gz UDGRDSVCLNSBDG-UONOGXRCSA-N 1 3 334.464 0.472 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884577935 590862324 /nfs/dbraw/zinc/86/23/24/590862324.db2.gz PDQTUUNHFAJWIG-STQMWFEESA-N 1 3 346.422 0.338 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)N(C)C1CC1 ZINC000884617077 590872502 /nfs/dbraw/zinc/87/25/02/590872502.db2.gz HIBQOAFEZIGALV-ACJLOTCBSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)N(C)C1CC1 ZINC000884617459 590873340 /nfs/dbraw/zinc/87/33/40/590873340.db2.gz MTPNNDKAMFGDGO-ZBFHGGJFSA-N 1 3 346.475 0.662 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000884625280 590876113 /nfs/dbraw/zinc/87/61/13/590876113.db2.gz GAUYQQFTJKSOEI-CZIWCDLHSA-N 1 3 346.475 0.998 20 0 ECADHO CCN(C(=O)C(=O)NCc1cccc(CN(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000884625789 590876188 /nfs/dbraw/zinc/87/61/88/590876188.db2.gz SBPDJNJLCXKBHE-INIZCTEOSA-N 1 3 332.448 0.575 20 0 ECADHO [NH3+]CCNC(=O)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000884672865 590888678 /nfs/dbraw/zinc/88/86/78/590888678.db2.gz FSPVSSTYXBBKKN-INIZCTEOSA-N 1 3 332.448 0.622 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884681712 590892481 /nfs/dbraw/zinc/89/24/81/590892481.db2.gz DFWJIIGJIVFQFK-GJZGRUSLSA-N 1 3 345.447 0.235 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000884685217 590893690 /nfs/dbraw/zinc/89/36/90/590893690.db2.gz BONZUEYPUXPSGY-QLFBSQMISA-N 1 3 345.447 0.505 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884698510 590899978 /nfs/dbraw/zinc/89/99/78/590899978.db2.gz OKZNRKLIHOAOLI-UUCFBXCCSA-N 1 3 326.485 0.855 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884697762 590900108 /nfs/dbraw/zinc/90/01/08/590900108.db2.gz DUBBXRQKJMIWTK-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884700079 590900770 /nfs/dbraw/zinc/90/07/70/590900770.db2.gz MBJTZBOEJXBZSE-GJZGRUSLSA-N 1 3 347.463 0.608 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCCC3)CC[C@@H]21 ZINC000884699959 590901151 /nfs/dbraw/zinc/90/11/51/590901151.db2.gz KQVUIEJGSKSIPE-PMPSAXMXSA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCCC3)CC[C@@H]21 ZINC000884699959 590901156 /nfs/dbraw/zinc/90/11/56/590901156.db2.gz KQVUIEJGSKSIPE-PMPSAXMXSA-N 1 3 336.480 0.563 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000884709434 590904547 /nfs/dbraw/zinc/90/45/47/590904547.db2.gz GJRPPMNMBFVEEE-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000884776053 590918958 /nfs/dbraw/zinc/91/89/58/590918958.db2.gz NVLRSBYZCKQTJI-BQJWPVKWSA-N 1 3 348.491 0.766 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884775867 590919394 /nfs/dbraw/zinc/91/93/94/590919394.db2.gz KOVBVALNGGVTNK-CVEARBPZSA-N 1 3 348.491 0.864 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884787624 590923654 /nfs/dbraw/zinc/92/36/54/590923654.db2.gz XMSAWESPXOAYKW-MRXNPFEDSA-N 1 3 344.459 0.549 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884834110 590931710 /nfs/dbraw/zinc/93/17/10/590931710.db2.gz SXQFWOXUPPIHAU-WBVHZDCISA-N 1 3 346.475 0.678 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884834110 590931712 /nfs/dbraw/zinc/93/17/12/590931712.db2.gz SXQFWOXUPPIHAU-WBVHZDCISA-N 1 3 346.475 0.678 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000887091611 590943223 /nfs/dbraw/zinc/94/32/23/590943223.db2.gz PQSUEVQWAOCXQF-CQSZACIVSA-N 1 3 345.447 0.316 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929956228 611371387 /nfs/dbraw/zinc/37/13/87/611371387.db2.gz TUAIXQXTTGLLDB-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000930490980 611434420 /nfs/dbraw/zinc/43/44/20/611434420.db2.gz JUTFWAALHVBELT-DZGCQCFKSA-N 1 3 334.464 0.282 20 0 ECADHO CN1CCN(c2ccncc2NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000930526878 611440271 /nfs/dbraw/zinc/44/02/71/611440271.db2.gz SMQAMPKHRIDRKC-UHFFFAOYSA-N 1 3 347.463 0.883 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1=O ZINC000925344273 611472263 /nfs/dbraw/zinc/47/22/63/611472263.db2.gz SJSMORLRHYMQEB-RRFJBIMHSA-N 1 3 338.452 0.236 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779234 611472481 /nfs/dbraw/zinc/47/24/81/611472481.db2.gz KRIWUCGLWLUDJG-XUWVNRHRSA-N 1 3 336.480 0.372 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779234 611472483 /nfs/dbraw/zinc/47/24/83/611472483.db2.gz KRIWUCGLWLUDJG-XUWVNRHRSA-N 1 3 336.480 0.372 20 0 ECADHO CNS(=O)(=O)c1cccc([C@H](C)NCCN2CCC([NH3+])CC2)c1 ZINC000925812224 611502879 /nfs/dbraw/zinc/50/28/79/611502879.db2.gz VWFFWXANMIRIRA-ZDUSSCGKSA-N 1 3 340.493 0.668 20 0 ECADHO C[C@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926510041 611553713 /nfs/dbraw/zinc/55/37/13/611553713.db2.gz XZHFVWGZQSALDV-BBRMVZONSA-N 1 3 326.462 0.948 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000948414665 611582027 /nfs/dbraw/zinc/58/20/27/611582027.db2.gz ZDWMUIFGDCBSGE-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000948414665 611582030 /nfs/dbraw/zinc/58/20/30/611582030.db2.gz ZDWMUIFGDCBSGE-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(C)CCCCO1 ZINC000932632963 611646002 /nfs/dbraw/zinc/64/60/02/611646002.db2.gz SIRLEAOBIDLNIP-QGZVFWFLSA-N 1 3 342.484 0.014 20 0 ECADHO CN(CCO)CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000925009853 608698505 /nfs/dbraw/zinc/69/85/05/608698505.db2.gz INLAMEUMXJOSGM-UHFFFAOYSA-N 1 3 349.475 0.545 20 0 ECADHO CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCCN(CC(N)=O)CC1 ZINC000948595491 611665077 /nfs/dbraw/zinc/66/50/77/611665077.db2.gz ZTCAMXNFMCOAAW-CQSZACIVSA-N 1 3 329.404 0.746 20 0 ECADHO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000924560176 608938288 /nfs/dbraw/zinc/93/82/88/608938288.db2.gz LWNJTLQXKFSFMF-QLFBSQMISA-N 1 3 336.436 0.256 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000931790352 608996720 /nfs/dbraw/zinc/99/67/20/608996720.db2.gz WTKVCLDVSVUDIK-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1=O ZINC000928448328 611689650 /nfs/dbraw/zinc/68/96/50/611689650.db2.gz NIDLWVYPQVFCMW-ZJIFWQFVSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1=O ZINC000928448328 611689654 /nfs/dbraw/zinc/68/96/54/611689654.db2.gz NIDLWVYPQVFCMW-ZJIFWQFVSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000937947953 609413883 /nfs/dbraw/zinc/41/38/83/609413883.db2.gz INPWIYGMCNORHH-HOTGVXAUSA-N 1 3 348.491 0.672 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000938007803 609457054 /nfs/dbraw/zinc/45/70/54/609457054.db2.gz LBJKLWNRZPOIQP-HRCADAONSA-N 1 3 334.464 0.140 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000938008355 609457546 /nfs/dbraw/zinc/45/75/46/609457546.db2.gz PAYMDRGDWRWDSP-ZFWWWQNUSA-N 1 3 331.420 0.011 20 0 ECADHO O=C(N[C@@H](CO)CN1CCCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000908202578 609647288 /nfs/dbraw/zinc/64/72/88/609647288.db2.gz JNBDEYHQCQQWGA-MJGOQNOKSA-N 1 3 347.459 0.196 20 0 ECADHO O=C(N[C@@H](CO)CN1CCCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000908202578 609647289 /nfs/dbraw/zinc/64/72/89/609647289.db2.gz JNBDEYHQCQQWGA-MJGOQNOKSA-N 1 3 347.459 0.196 20 0 ECADHO CC(C)[C@@H](CNC(=S)NC1CC[NH+](C)CC1)N1CCN(C)CC1 ZINC000920308427 609679202 /nfs/dbraw/zinc/67/92/02/609679202.db2.gz MOBSTRDGEHABKJ-MRXNPFEDSA-N 1 3 341.569 0.817 20 0 ECADHO O=C(CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)NCCN1CCCCC1 ZINC000909312628 609693814 /nfs/dbraw/zinc/69/38/14/609693814.db2.gz LCRMTHZYLPLHOP-HOTGVXAUSA-N 1 3 336.480 0.722 20 0 ECADHO O=C(CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)NCCN1CCCCC1 ZINC000909312628 609693816 /nfs/dbraw/zinc/69/38/16/609693816.db2.gz LCRMTHZYLPLHOP-HOTGVXAUSA-N 1 3 336.480 0.722 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC000938308827 609707883 /nfs/dbraw/zinc/70/78/83/609707883.db2.gz MRJHCLZUNUMXES-HOTGVXAUSA-N 1 3 348.491 0.672 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000910972068 609786157 /nfs/dbraw/zinc/78/61/57/609786157.db2.gz OXPPGSIHJWYQAX-JKSUJKDBSA-N 1 3 346.475 0.471 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000910972078 609786190 /nfs/dbraw/zinc/78/61/90/609786190.db2.gz PDUMKUPAQIPQKG-CVEARBPZSA-N 1 3 346.475 0.390 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911077847 609801845 /nfs/dbraw/zinc/80/18/45/609801845.db2.gz IMZOVXRKQZRYTC-YALNPMBYSA-N 1 3 344.459 0.716 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)N1CCC(C)CC1 ZINC000911089814 609807729 /nfs/dbraw/zinc/80/77/29/609807729.db2.gz DXSLLEJHVGJPAT-MAUKXSAKSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911208087 609825386 /nfs/dbraw/zinc/82/53/86/609825386.db2.gz IWJTVEFJSFYZEM-HDMKZQKVSA-N 1 3 336.480 0.625 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000911228166 609833000 /nfs/dbraw/zinc/83/30/00/609833000.db2.gz XIHWSOKTRYRURP-UHFFFAOYSA-N 1 3 336.480 0.756 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911256130 609837165 /nfs/dbraw/zinc/83/71/65/609837165.db2.gz PYPJXRLVXHYAKL-HZPDHXFCSA-N 1 3 332.448 0.575 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911256130 609837167 /nfs/dbraw/zinc/83/71/67/609837167.db2.gz PYPJXRLVXHYAKL-HZPDHXFCSA-N 1 3 332.448 0.575 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000911324342 609847673 /nfs/dbraw/zinc/84/76/73/609847673.db2.gz APKOZDFJPPSVNZ-YIOZNXECSA-N 1 3 348.491 0.849 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)C1 ZINC000911336805 609847852 /nfs/dbraw/zinc/84/78/52/609847852.db2.gz NTTSZRGRABGNKX-HNNXBMFYSA-N 1 3 338.496 0.810 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@@H]13)C2 ZINC000911325398 609848510 /nfs/dbraw/zinc/84/85/10/609848510.db2.gz SXNCATRKJDMLAU-NPJQDHAYSA-N 1 3 334.464 0.458 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911328351 609849241 /nfs/dbraw/zinc/84/92/41/609849241.db2.gz GCNRUZJEQVYQFA-QAPCUYQASA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911332106 609849827 /nfs/dbraw/zinc/84/98/27/609849827.db2.gz NWWOZLACVVAGRV-HDMKZQKVSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543859 609851636 /nfs/dbraw/zinc/85/16/36/609851636.db2.gz DNPLWALIQRPYFB-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543859 609851638 /nfs/dbraw/zinc/85/16/38/609851638.db2.gz DNPLWALIQRPYFB-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000911532492 609886712 /nfs/dbraw/zinc/88/67/12/609886712.db2.gz MAFRUIDEFCTFCW-RRFJBIMHSA-N 1 3 336.480 0.420 20 0 ECADHO O=S(=O)(NC1CC[NH+](CC2CCCCC2)CC1)N1CCNCC1 ZINC000923597785 609928054 /nfs/dbraw/zinc/92/80/54/609928054.db2.gz ZOVRIPDMNPOZSR-UHFFFAOYSA-N 1 3 344.525 0.771 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1)C1CC1 ZINC000941437088 610314678 /nfs/dbraw/zinc/31/46/78/610314678.db2.gz RLAZOWXIKUEAPZ-GOSISDBHSA-N 1 3 334.508 0.955 20 0 ECADHO CC1(C)C[N@H+](CCO)CC[C@@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000940902216 610426966 /nfs/dbraw/zinc/42/69/66/610426966.db2.gz ZKXSHBZYHZKAMR-DGSCNEQVSA-N 1 3 337.464 0.059 20 0 ECADHO CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000940902216 610426967 /nfs/dbraw/zinc/42/69/67/610426967.db2.gz ZKXSHBZYHZKAMR-DGSCNEQVSA-N 1 3 337.464 0.059 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000941645829 610438613 /nfs/dbraw/zinc/43/86/13/610438613.db2.gz QEBIEBUNGUSKQP-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)[C@H](C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC000941102913 610537320 /nfs/dbraw/zinc/53/73/20/610537320.db2.gz XMHDSONGJFVCIC-HOTGVXAUSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)[C@H](C(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC000941102913 610537322 /nfs/dbraw/zinc/53/73/22/610537322.db2.gz XMHDSONGJFVCIC-HOTGVXAUSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942875431 610667398 /nfs/dbraw/zinc/66/73/98/610667398.db2.gz CCMJLOYZGCZYDV-INIZCTEOSA-N 1 3 348.491 0.627 20 0 ECADHO NCC(C[NH3+])NC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923356932 611233672 /nfs/dbraw/zinc/23/36/72/611233672.db2.gz QVMVCIBCZVDEEM-LLVKDONJSA-N 1 3 336.205 0.204 20 0 ECADHO O=S(=O)(NC1CCC([NH+]2CCCCC2)CC1)N1CCNCC1 ZINC000923624548 611331259 /nfs/dbraw/zinc/33/12/59/611331259.db2.gz GCAULPXWEXFZQF-UHFFFAOYSA-N 1 3 330.498 0.523 20 0 ECADHO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC(N2CCCOCC2)CC1 ZINC000923665204 611338400 /nfs/dbraw/zinc/33/84/00/611338400.db2.gz HJJOOSNVXICTPA-HNNXBMFYSA-N 1 3 331.482 0.255 20 0 ECADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc3n1CCOC3)C2 ZINC000922391075 611349716 /nfs/dbraw/zinc/34/97/16/611349716.db2.gz RNTWBPZZJPJPDQ-AHCXZYCDSA-N 1 3 334.464 0.983 20 0 ECADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc3n1CCOC3)C2 ZINC000922391075 611349717 /nfs/dbraw/zinc/34/97/17/611349717.db2.gz RNTWBPZZJPJPDQ-AHCXZYCDSA-N 1 3 334.464 0.983 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000950390240 611995905 /nfs/dbraw/zinc/99/59/05/611995905.db2.gz RCXROOCEJMVKQD-IJEWVQPXSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000950390240 611995907 /nfs/dbraw/zinc/99/59/07/611995907.db2.gz RCXROOCEJMVKQD-IJEWVQPXSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000955345113 612472343 /nfs/dbraw/zinc/47/23/43/612472343.db2.gz RPVZQDMECYLLDY-HNNXBMFYSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000955344930 612472465 /nfs/dbraw/zinc/47/24/65/612472465.db2.gz KFKSJIHWKOPKBV-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000955344930 612472466 /nfs/dbraw/zinc/47/24/66/612472466.db2.gz KFKSJIHWKOPKBV-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000955349026 612480295 /nfs/dbraw/zinc/48/02/95/612480295.db2.gz HRJGJMQBZUCRHQ-HIFRSBDPSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000955349026 612480298 /nfs/dbraw/zinc/48/02/98/612480298.db2.gz HRJGJMQBZUCRHQ-HIFRSBDPSA-N 1 3 336.480 0.338 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955446099 612594942 /nfs/dbraw/zinc/59/49/42/612594942.db2.gz XZVRWURXKQVAKL-OAHLLOKOSA-N 1 3 347.463 0.884 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955446099 612594946 /nfs/dbraw/zinc/59/49/46/612594946.db2.gz XZVRWURXKQVAKL-OAHLLOKOSA-N 1 3 347.463 0.884 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC000956020822 612619603 /nfs/dbraw/zinc/61/96/03/612619603.db2.gz GQZZPYWYKPSFRI-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954284857 612822696 /nfs/dbraw/zinc/82/26/96/612822696.db2.gz HXVZAASLXBJIKO-ZFWWWQNUSA-N 1 3 345.447 0.496 20 0 ECADHO CN(C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954284857 612822698 /nfs/dbraw/zinc/82/26/98/612822698.db2.gz HXVZAASLXBJIKO-ZFWWWQNUSA-N 1 3 345.447 0.496 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000954353697 612872474 /nfs/dbraw/zinc/87/24/74/612872474.db2.gz AXUNTSQKVUVDFK-PBHICJAKSA-N 1 3 348.491 0.339 20 0 ECADHO CC1CCN(CC(=O)N(C)C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000955110213 612908535 /nfs/dbraw/zinc/90/85/35/612908535.db2.gz MPZAOSAYJPZIRB-HNNXBMFYSA-N 1 3 336.480 0.339 20 0 ECADHO CC1CCN(CC(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000955110213 612908537 /nfs/dbraw/zinc/90/85/37/612908537.db2.gz MPZAOSAYJPZIRB-HNNXBMFYSA-N 1 3 336.480 0.339 20 0 ECADHO COCC[N@@H+]1CCO[C@H]2CN(c3cc4c(nn3)CCNC4)CC[C@H]2C1 ZINC001164860672 720865122 /nfs/dbraw/zinc/86/51/22/720865122.db2.gz WLSVXXYICXIQMA-YOEHRIQHSA-N 1 3 347.463 0.296 20 0 ECADHO COCC[N@H+]1CCO[C@H]2CN(c3cc4c(nn3)CCNC4)CC[C@H]2C1 ZINC001164860672 720865124 /nfs/dbraw/zinc/86/51/24/720865124.db2.gz WLSVXXYICXIQMA-YOEHRIQHSA-N 1 3 347.463 0.296 20 0 ECADHO O=C(N1CCCC[C@@H]1CN[C@@H]1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001025010884 738489397 /nfs/dbraw/zinc/48/93/97/738489397.db2.gz LDUMTFIMEPFSTJ-HUUCEWRRSA-N 1 3 334.464 0.474 20 0 ECADHO C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CCC[C@@H]1C ZINC001078073906 782253488 /nfs/dbraw/zinc/25/34/88/782253488.db2.gz VQTNWSYNCOKKEC-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CCC[C@H]1C ZINC001078073907 782253501 /nfs/dbraw/zinc/25/35/01/782253501.db2.gz VQTNWSYNCOKKEC-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C1CN(CCCO)C1 ZINC000969834280 732421901 /nfs/dbraw/zinc/42/19/01/732421901.db2.gz WPLVGEKSFCAZEQ-PBHICJAKSA-N 1 3 339.480 0.449 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C1CN(CCCO)C1 ZINC000969834280 732421902 /nfs/dbraw/zinc/42/19/02/732421902.db2.gz WPLVGEKSFCAZEQ-PBHICJAKSA-N 1 3 339.480 0.449 20 0 ECADHO Cn1cc(CN2CC[C@]3(CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)cn1 ZINC001041829374 782290676 /nfs/dbraw/zinc/29/06/76/782290676.db2.gz STQIYHRZZGBRNB-AEFFLSMTSA-N 1 3 331.464 0.796 20 0 ECADHO Cn1cc(CN2CC[C@]3(CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)cn1 ZINC001041829374 782290683 /nfs/dbraw/zinc/29/06/83/782290683.db2.gz STQIYHRZZGBRNB-AEFFLSMTSA-N 1 3 331.464 0.796 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001167225751 733069303 /nfs/dbraw/zinc/06/93/03/733069303.db2.gz ZNANXIWWTLYNSL-CABCVRRESA-N 1 3 336.480 0.625 20 0 ECADHO CCCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232832 733077404 /nfs/dbraw/zinc/07/74/04/733077404.db2.gz RKSVHSDHQMYWTL-OAHLLOKOSA-N 1 3 338.496 0.731 20 0 ECADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001167235942 733082153 /nfs/dbraw/zinc/08/21/53/733082153.db2.gz DUCJGXWBJOGGBA-AWEZNQCLSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000970800760 733952334 /nfs/dbraw/zinc/95/23/34/733952334.db2.gz SXAXJNOFCLWLER-HUUCEWRRSA-N 1 3 337.468 0.077 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)C[C@H]3CCc4ncnn43)C2)CCC1 ZINC000971674533 734935260 /nfs/dbraw/zinc/93/52/60/734935260.db2.gz UWGFJVGAWBXACS-LSDHHAIUSA-N 1 3 346.479 0.782 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)C[C@H]3CCc4ncnn43)C2)CCC1 ZINC000971674533 734935261 /nfs/dbraw/zinc/93/52/61/734935261.db2.gz UWGFJVGAWBXACS-LSDHHAIUSA-N 1 3 346.479 0.782 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000971680347 734942937 /nfs/dbraw/zinc/94/29/37/734942937.db2.gz ZOFNXNQKOWBSJF-SJLPKXTDSA-N 1 3 346.475 0.758 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000971680347 734942940 /nfs/dbraw/zinc/94/29/40/734942940.db2.gz ZOFNXNQKOWBSJF-SJLPKXTDSA-N 1 3 346.475 0.758 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC000972334911 735961119 /nfs/dbraw/zinc/96/11/19/735961119.db2.gz LBWLHJQKEUYYDN-WMLDXEAASA-N 1 3 348.495 0.769 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC000972334911 735961121 /nfs/dbraw/zinc/96/11/21/735961121.db2.gz LBWLHJQKEUYYDN-WMLDXEAASA-N 1 3 348.495 0.769 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001023086417 736476015 /nfs/dbraw/zinc/47/60/15/736476015.db2.gz LFLREVNPECGGQD-RWMBFGLXSA-N 1 3 335.404 0.337 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001023086417 736476017 /nfs/dbraw/zinc/47/60/17/736476017.db2.gz LFLREVNPECGGQD-RWMBFGLXSA-N 1 3 335.404 0.337 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001023122965 736517298 /nfs/dbraw/zinc/51/72/98/736517298.db2.gz LKXVGXKWUUZCGS-SRABZTEZSA-N 1 3 346.475 0.995 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001023130202 736525383 /nfs/dbraw/zinc/52/53/83/736525383.db2.gz DYASULJLAODDQX-HLLBOEOZSA-N 1 3 344.459 0.877 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001067461863 736953375 /nfs/dbraw/zinc/95/33/75/736953375.db2.gz QEASSSBLYPJJFR-CVEARBPZSA-N 1 3 340.512 0.831 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001067461863 736953376 /nfs/dbraw/zinc/95/33/76/736953376.db2.gz QEASSSBLYPJJFR-CVEARBPZSA-N 1 3 340.512 0.831 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]21)C1CC1 ZINC000972647978 737249843 /nfs/dbraw/zinc/24/98/43/737249843.db2.gz CZHFCFAGQVSYDG-JFIYKMOQSA-N 1 3 348.491 0.482 20 0 ECADHO C[NH+]1CCC(C(=O)NCc2nc(C[NH2+]CC3CC3)cc(=O)[n-]2)CC1 ZINC001087259440 737569412 /nfs/dbraw/zinc/56/94/12/737569412.db2.gz OIKMKWDUNMRMKQ-UHFFFAOYSA-N 1 3 333.436 0.640 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNCc3nncn3C)C2)C1 ZINC001024157041 737787743 /nfs/dbraw/zinc/78/77/43/737787743.db2.gz WIRUQDWPRCPWMJ-CABCVRRESA-N 1 3 334.468 0.485 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNCc3nncn3C)C2)C1 ZINC001024157041 737787747 /nfs/dbraw/zinc/78/77/47/737787747.db2.gz WIRUQDWPRCPWMJ-CABCVRRESA-N 1 3 334.468 0.485 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001024157292 737788352 /nfs/dbraw/zinc/78/83/52/737788352.db2.gz YVFVIDQNWGBWMU-JKSUJKDBSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001024157292 737788354 /nfs/dbraw/zinc/78/83/54/737788354.db2.gz YVFVIDQNWGBWMU-JKSUJKDBSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024238148 737844571 /nfs/dbraw/zinc/84/45/71/737844571.db2.gz YHFKJYNEJCEWBG-HOTGVXAUSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024238148 737844572 /nfs/dbraw/zinc/84/45/72/737844572.db2.gz YHFKJYNEJCEWBG-HOTGVXAUSA-N 1 3 348.495 0.968 20 0 ECADHO Cn1ccnc1CNC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001024238759 737845396 /nfs/dbraw/zinc/84/53/96/737845396.db2.gz PHGBBKBDRLCIHT-OAHLLOKOSA-N 1 3 331.464 0.844 20 0 ECADHO COCCN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561820 738107837 /nfs/dbraw/zinc/10/78/37/738107837.db2.gz ZBBOTXMUOVJUKF-GARNVTTQSA-N 1 3 337.464 0.467 20 0 ECADHO COCCN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561820 738107840 /nfs/dbraw/zinc/10/78/40/738107840.db2.gz ZBBOTXMUOVJUKF-GARNVTTQSA-N 1 3 337.464 0.467 20 0 ECADHO CCCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104731860 739573337 /nfs/dbraw/zinc/57/33/37/739573337.db2.gz BPMGHAVDKDPCIQ-RBSFLKMASA-N 1 3 349.479 0.941 20 0 ECADHO C[C@@H](NC(=O)c1cnccc1N(C)C)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001025596691 739760849 /nfs/dbraw/zinc/76/08/49/739760849.db2.gz GDKFNUZXTWZXFU-CHWSQXEVSA-N 1 3 333.436 0.463 20 0 ECADHO C[C@@H](NC(=O)c1cnccc1N(C)C)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025596691 739760852 /nfs/dbraw/zinc/76/08/52/739760852.db2.gz GDKFNUZXTWZXFU-CHWSQXEVSA-N 1 3 333.436 0.463 20 0 ECADHO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908772 740215902 /nfs/dbraw/zinc/21/59/02/740215902.db2.gz YKFLDWCORIIMQQ-ADRZLJTRSA-N 1 3 333.476 0.942 20 0 ECADHO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908772 740215906 /nfs/dbraw/zinc/21/59/06/740215906.db2.gz YKFLDWCORIIMQQ-ADRZLJTRSA-N 1 3 333.476 0.942 20 0 ECADHO CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1)OC ZINC001025908708 740215943 /nfs/dbraw/zinc/21/59/43/740215943.db2.gz VXYHIIFSOWGBKA-RLHNNVBPSA-N 1 3 349.475 0.321 20 0 ECADHO CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1)OC ZINC001025908708 740215948 /nfs/dbraw/zinc/21/59/48/740215948.db2.gz VXYHIIFSOWGBKA-RLHNNVBPSA-N 1 3 349.475 0.321 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001026043298 740334670 /nfs/dbraw/zinc/33/46/70/740334670.db2.gz JPLIPDQHVUWPAO-YUYGLALOSA-N 1 3 344.463 0.296 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001026043298 740334673 /nfs/dbraw/zinc/33/46/73/740334673.db2.gz JPLIPDQHVUWPAO-YUYGLALOSA-N 1 3 344.463 0.296 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1=O ZINC001026043390 740335786 /nfs/dbraw/zinc/33/57/86/740335786.db2.gz OWMJRSGJLJIUSP-GAGVYUBLSA-N 1 3 334.464 0.138 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)C1=O ZINC001026043390 740335792 /nfs/dbraw/zinc/33/57/92/740335792.db2.gz OWMJRSGJLJIUSP-GAGVYUBLSA-N 1 3 334.464 0.138 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001026086877 740364559 /nfs/dbraw/zinc/36/45/59/740364559.db2.gz XZTYLIPAFPEYHZ-DMRKSPOLSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001026086877 740364562 /nfs/dbraw/zinc/36/45/62/740364562.db2.gz XZTYLIPAFPEYHZ-DMRKSPOLSA-N 1 3 348.491 0.526 20 0 ECADHO C[NH+](C)CCOCC(=O)NCCC1(CNCc2cnns2)CC1 ZINC001167736481 740792654 /nfs/dbraw/zinc/79/26/54/740792654.db2.gz BEKVTWZHNKFIJB-UHFFFAOYSA-N 1 3 341.481 0.492 20 0 ECADHO Cn1ncnc1CN[C@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001026346177 740974906 /nfs/dbraw/zinc/97/49/06/740974906.db2.gz FDVFTKVDCAFJFW-XHSDSOJGSA-N 1 3 346.479 0.484 20 0 ECADHO Cn1cc(CN[C@H]2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)nn1 ZINC001026349030 740986778 /nfs/dbraw/zinc/98/67/78/740986778.db2.gz VFLWZOBBFBRPAZ-UAGQMJEPSA-N 1 3 346.479 0.484 20 0 ECADHO Cn1cncc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC001026364085 741061015 /nfs/dbraw/zinc/06/10/15/741061015.db2.gz CAFGRUXIJWIFBF-VBNZEHGJSA-N 1 3 328.420 0.713 20 0 ECADHO Cn1ncnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]12 ZINC001026399897 741231654 /nfs/dbraw/zinc/23/16/54/741231654.db2.gz AGCNPYKPKSCBKA-QLFBSQMISA-N 1 3 344.463 0.238 20 0 ECADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067054 741285981 /nfs/dbraw/zinc/28/59/81/741285981.db2.gz LFFYFZBMQVXXDT-RBSFLKMASA-N 1 3 326.485 0.535 20 0 ECADHO O=C(CN1CCCC1)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cnns3)[C@@H]2C1 ZINC001026420604 741336040 /nfs/dbraw/zinc/33/60/40/741336040.db2.gz KATZVZXPOYQGBF-NWANDNLSSA-N 1 3 335.477 0.961 20 0 ECADHO CC(C)(C(=O)NC1CCC([NH2+][C@H]2CCNC2=O)CC1)N1CCCC1 ZINC001026540636 741534639 /nfs/dbraw/zinc/53/46/39/741534639.db2.gz VCLWMFZUPNROIE-NRXISQOPSA-N 1 3 336.480 0.766 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)CC1 ZINC001105319001 741763626 /nfs/dbraw/zinc/76/36/26/741763626.db2.gz WIKWVNATZFQGMG-UHFFFAOYSA-N 1 3 346.479 0.893 20 0 ECADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001026847140 741954721 /nfs/dbraw/zinc/95/47/21/741954721.db2.gz IGIYTEIACGLOAV-ZBFHGGJFSA-N 1 3 331.464 0.700 20 0 ECADHO CN(CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC001026888803 742028980 /nfs/dbraw/zinc/02/89/80/742028980.db2.gz NWJGSZHMRGNPAM-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1)C1CCC1 ZINC001026888224 742045586 /nfs/dbraw/zinc/04/55/86/742045586.db2.gz AYAXFQJXMHSPQO-HOCLYGCPSA-N 1 3 346.479 0.688 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001027139953 742748961 /nfs/dbraw/zinc/74/89/61/742748961.db2.gz VDICOJWEECLIBY-CVEARBPZSA-N 1 3 336.480 0.435 20 0 ECADHO CN1CCC[C@H](N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028933862 742905850 /nfs/dbraw/zinc/90/58/50/742905850.db2.gz UOJLPLKIBJCCDO-CABCVRRESA-N 1 3 334.464 0.141 20 0 ECADHO CCn1ccc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001027172755 743001503 /nfs/dbraw/zinc/00/15/03/743001503.db2.gz CHTKCXOUOAYKRO-HNNXBMFYSA-N 1 3 331.464 0.937 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001027173809 743008465 /nfs/dbraw/zinc/00/84/65/743008465.db2.gz WFURISXUNPIDTR-CQSZACIVSA-N 1 3 345.447 0.519 20 0 ECADHO C[C@H](NC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000997002266 743113923 /nfs/dbraw/zinc/11/39/23/743113923.db2.gz VFUIDWFJCBAGLF-KGLIPLIRSA-N 1 3 334.468 0.941 20 0 ECADHO C[C@H](NC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000997002266 743113928 /nfs/dbraw/zinc/11/39/28/743113928.db2.gz VFUIDWFJCBAGLF-KGLIPLIRSA-N 1 3 334.468 0.941 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997011512 743127626 /nfs/dbraw/zinc/12/76/26/743127626.db2.gz VZKAUFGMWAVMQM-CZUORRHYSA-N 1 3 347.463 0.764 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997011512 743127629 /nfs/dbraw/zinc/12/76/29/743127629.db2.gz VZKAUFGMWAVMQM-CZUORRHYSA-N 1 3 347.463 0.764 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)c1 ZINC001027234586 743247860 /nfs/dbraw/zinc/24/78/60/743247860.db2.gz ZSWKIFQYQBKAOY-RDJZCZTQSA-N 1 3 344.459 0.688 20 0 ECADHO CC1CCN(CC(=O)N2CCC([NH2+][C@H]3CCN(C)C3=O)CC2)CC1 ZINC000997114782 743252197 /nfs/dbraw/zinc/25/21/97/743252197.db2.gz HCDWPAHOUBFDFV-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CCO)CC1 ZINC000997229093 743376232 /nfs/dbraw/zinc/37/62/32/743376232.db2.gz QYQABVBKUUHHFR-KDWRMLKXSA-N 1 3 337.464 0.059 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000997306703 743469755 /nfs/dbraw/zinc/46/97/55/743469755.db2.gz IPWPAZLXXJKROC-UHFFFAOYSA-N 1 3 334.468 0.571 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000997394753 743567157 /nfs/dbraw/zinc/56/71/57/743567157.db2.gz BOBKHVWCVRZBGP-ZBFHGGJFSA-N 1 3 348.491 0.530 20 0 ECADHO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1 ZINC000997604557 743704609 /nfs/dbraw/zinc/70/46/09/743704609.db2.gz BGHYAWJWYLJTAL-INIZCTEOSA-N 1 3 347.463 0.908 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000998289432 744101464 /nfs/dbraw/zinc/10/14/64/744101464.db2.gz LZFPSJWCIZPQTF-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@H]32)CC[N@@H+]1C ZINC000976601049 744125862 /nfs/dbraw/zinc/12/58/62/744125862.db2.gz JBXDANQUNTTXDB-PTENTFFRSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@H]32)CC[N@H+]1C ZINC000976601049 744125864 /nfs/dbraw/zinc/12/58/64/744125864.db2.gz JBXDANQUNTTXDB-PTENTFFRSA-N 1 3 348.491 0.384 20 0 ECADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC000976862264 744415121 /nfs/dbraw/zinc/41/51/21/744415121.db2.gz PGGCEVVHKZUAHQ-HWLIBYHHSA-N 1 3 348.491 0.386 20 0 ECADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000976862264 744415124 /nfs/dbraw/zinc/41/51/24/744415124.db2.gz PGGCEVVHKZUAHQ-HWLIBYHHSA-N 1 3 348.491 0.386 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC000999363144 744654956 /nfs/dbraw/zinc/65/49/56/744654956.db2.gz CELLXTTYEYLZMA-SJORKVTESA-N 1 3 348.495 0.816 20 0 ECADHO COc1nccc(CNC2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999407746 744681083 /nfs/dbraw/zinc/68/10/83/744681083.db2.gz GDUXYZOMGFHEKU-IUDNXUCKSA-N 1 3 347.463 0.906 20 0 ECADHO COc1nccc(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999407746 744681085 /nfs/dbraw/zinc/68/10/85/744681085.db2.gz GDUXYZOMGFHEKU-IUDNXUCKSA-N 1 3 347.463 0.906 20 0 ECADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+][C@H]2CCN(C)C2=O)C1 ZINC000999408622 744681592 /nfs/dbraw/zinc/68/15/92/744681592.db2.gz MFRRZZXCKYCIBO-NRXISQOPSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H](C(N)=O)N(C)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480071 744724750 /nfs/dbraw/zinc/72/47/50/744724750.db2.gz XSRWVDMNAOYKRQ-GXTWGEPZSA-N 1 3 329.404 0.745 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@H]32)C1 ZINC000977205588 744765120 /nfs/dbraw/zinc/76/51/20/744765120.db2.gz WTAJLYAQRXZFMJ-POORBHPNSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)C1 ZINC000977205588 744765123 /nfs/dbraw/zinc/76/51/23/744765123.db2.gz WTAJLYAQRXZFMJ-POORBHPNSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H](N[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1)C(N)=O ZINC000999795466 744907428 /nfs/dbraw/zinc/90/74/28/744907428.db2.gz 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/nfs/dbraw/zinc/07/76/59/747077659.db2.gz ZJASEBJEGNMBBS-AEGPPILISA-N 1 3 333.436 0.400 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000985032568 747284848 /nfs/dbraw/zinc/28/48/48/747284848.db2.gz VTUFIFWXCCJTAC-IIAWOOMASA-N 1 3 347.463 0.811 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000985032568 747284852 /nfs/dbraw/zinc/28/48/52/747284852.db2.gz VTUFIFWXCCJTAC-IIAWOOMASA-N 1 3 347.463 0.811 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000979316613 747627897 /nfs/dbraw/zinc/62/78/97/747627897.db2.gz UFLOWOCPVVBQSY-MHEUCROKSA-N 1 3 347.463 0.469 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000979316613 747627901 /nfs/dbraw/zinc/62/79/01/747627901.db2.gz UFLOWOCPVVBQSY-MHEUCROKSA-N 1 3 347.463 0.469 20 0 ECADHO Cn1cc(CC[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000985331542 747715622 /nfs/dbraw/zinc/71/56/22/747715622.db2.gz HQVWOVDYNCRVEQ-QGZVFWFLSA-N 1 3 333.480 0.980 20 0 ECADHO Cn1cc(CC[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000985331542 747715626 /nfs/dbraw/zinc/71/56/26/747715626.db2.gz HQVWOVDYNCRVEQ-QGZVFWFLSA-N 1 3 333.480 0.980 20 0 ECADHO CC[C@@H](C(=O)N1CCC(CO[C@H]2CC[N@H+](CCO)C2)CC1)N(C)C ZINC001088238229 747858624 /nfs/dbraw/zinc/85/86/24/747858624.db2.gz PDWADRZKTLVWGX-IRXDYDNUSA-N 1 3 341.496 0.648 20 0 ECADHO CC[C@@H](C(=O)N1CCC(CO[C@H]2CC[N@@H+](CCO)C2)CC1)N(C)C ZINC001088238229 747858633 /nfs/dbraw/zinc/85/86/33/747858633.db2.gz PDWADRZKTLVWGX-IRXDYDNUSA-N 1 3 341.496 0.648 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001003142282 748226386 /nfs/dbraw/zinc/22/63/86/748226386.db2.gz CQGVJNHSSHQHLO-DLBZAZTESA-N 1 3 346.479 0.876 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001003142282 748226391 /nfs/dbraw/zinc/22/63/91/748226391.db2.gz CQGVJNHSSHQHLO-DLBZAZTESA-N 1 3 346.479 0.876 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000985494851 748299146 /nfs/dbraw/zinc/29/91/46/748299146.db2.gz HTRAJBVSDSILGA-KGLIPLIRSA-N 1 3 338.452 0.055 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000985494851 748299147 /nfs/dbraw/zinc/29/91/47/748299147.db2.gz HTRAJBVSDSILGA-KGLIPLIRSA-N 1 3 338.452 0.055 20 0 ECADHO CN(C)C1(C(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)CCC1 ZINC001003332306 748435338 /nfs/dbraw/zinc/43/53/38/748435338.db2.gz YAXLPAKDSWOAKT-UHFFFAOYSA-N 1 3 334.464 0.141 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)[C@H]1CCNC1=O ZINC001029799861 748467278 /nfs/dbraw/zinc/46/72/78/748467278.db2.gz FTNQRLISPLFVNE-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CN(C)C(C)C ZINC001067626171 748506119 /nfs/dbraw/zinc/50/61/19/748506119.db2.gz AKISEHGJRFDCNC-UHFFFAOYSA-N 1 3 328.501 0.975 20 0 ECADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CN(C)C(C)C ZINC001067626171 748506123 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338.496 0.870 20 0 ECADHO C[N@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@H]1CCc2ncnn21 ZINC001029852642 748832381 /nfs/dbraw/zinc/83/23/81/748832381.db2.gz GRCYUNOVGRRIPQ-DZGCQCFKSA-N 1 3 343.435 0.512 20 0 ECADHO C[N@@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@H]1CCc2ncnn21 ZINC001029852642 748832388 /nfs/dbraw/zinc/83/23/88/748832388.db2.gz GRCYUNOVGRRIPQ-DZGCQCFKSA-N 1 3 343.435 0.512 20 0 ECADHO NC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352767 748878098 /nfs/dbraw/zinc/87/80/98/748878098.db2.gz IXHXVHDQURAISZ-DOTOQJQBSA-N 1 3 336.480 0.707 20 0 ECADHO CC1CCN(CC(=O)N2CCC([N@H+](C)[C@@H]3CCNC3=O)CC2)CC1 ZINC000985712391 748936948 /nfs/dbraw/zinc/93/69/48/748936948.db2.gz HTVOPHYCBCPXQK-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CC(=O)N2CCC([N@@H+](C)[C@@H]3CCNC3=O)CC2)CC1 ZINC000985712391 748936952 /nfs/dbraw/zinc/93/69/52/748936952.db2.gz HTVOPHYCBCPXQK-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(CN[C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC001088414856 749098222 /nfs/dbraw/zinc/09/82/22/749098222.db2.gz RWZCHAAMFJSJGW-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2CCc2cnn(C)c2)CC[N@@H+]1C ZINC001027895260 749197839 /nfs/dbraw/zinc/19/78/39/749197839.db2.gz UBTRTOFUDVGKMU-DJIMGWMZSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2CCc2cnn(C)c2)CC[N@H+]1C ZINC001027895260 749197842 /nfs/dbraw/zinc/19/78/42/749197842.db2.gz UBTRTOFUDVGKMU-DJIMGWMZSA-N 1 3 333.480 0.883 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004376658 749440011 /nfs/dbraw/zinc/44/00/11/749440011.db2.gz XFQIQHQZTHUVEF-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004376658 749440015 /nfs/dbraw/zinc/44/00/15/749440015.db2.gz XFQIQHQZTHUVEF-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)CN(C)C1CCC1 ZINC000986357993 749816117 /nfs/dbraw/zinc/81/61/17/749816117.db2.gz VFGRQEZIBVJYAN-UKRRQHHQSA-N 1 3 337.468 0.075 20 0 ECADHO C[C@@H]1C[C@@H](CNCc2nncn2C)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000980700761 749983491 /nfs/dbraw/zinc/98/34/91/749983491.db2.gz SNTRKQSBYPHMRU-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1C[C@@H](CNCc2nncn2C)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000980700761 749983493 /nfs/dbraw/zinc/98/34/93/749983493.db2.gz SNTRKQSBYPHMRU-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO Cc1nnc(CNC[C@@H]2C[C@@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC000980768107 750122531 /nfs/dbraw/zinc/12/25/31/750122531.db2.gz SETFHTYQEMMFHK-OCCSQVGLSA-N 1 3 332.452 0.536 20 0 ECADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)CN1CCCC1 ZINC000980800543 750181533 /nfs/dbraw/zinc/18/15/33/750181533.db2.gz QWNYUYDFKORGAL-NVXWUHKLSA-N 1 3 346.475 0.808 20 0 ECADHO CCCCNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)CCC)C1 ZINC001100901964 750189250 /nfs/dbraw/zinc/18/92/50/750189250.db2.gz XSQJPXULVNSKSO-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@](C[NH2+]CC(N)=O)(c2ccccc2)C1 ZINC001105447686 750476200 /nfs/dbraw/zinc/47/62/00/750476200.db2.gz LZLMKPGZNKLSPJ-UWUNEBHHSA-N 1 3 346.475 0.618 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000981485131 750737329 /nfs/dbraw/zinc/73/73/29/750737329.db2.gz HDMRMAWEMDGUGR-ZIAGYGMSSA-N 1 3 348.451 0.303 20 0 ECADHO CCn1nncc1CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987359310 750754171 /nfs/dbraw/zinc/75/41/71/750754171.db2.gz NFQSUSSFVXTDOL-HIFRSBDPSA-N 1 3 332.452 0.473 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)c1 ZINC000981537618 750786971 /nfs/dbraw/zinc/78/69/71/750786971.db2.gz HYYDCARRYZRPGZ-CVEARBPZSA-N 1 3 332.448 0.864 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001059804979 750914635 /nfs/dbraw/zinc/91/46/35/750914635.db2.gz QGOYUJUUGTZJFM-WBVHZDCISA-N 1 3 340.512 0.879 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2CCCN2CCCC2=O)C1 ZINC001028317363 752367898 /nfs/dbraw/zinc/36/78/98/752367898.db2.gz AHOCDIGBKAPNAE-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2CCCN2CCCC2=O)C1 ZINC001028317363 752367904 /nfs/dbraw/zinc/36/79/04/752367904.db2.gz AHOCDIGBKAPNAE-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001021091898 752532510 /nfs/dbraw/zinc/53/25/10/752532510.db2.gz ZFQPEHKFDZTNCD-JYJNAYRXSA-N 1 3 332.448 0.863 20 0 ECADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001021091897 752532635 /nfs/dbraw/zinc/53/26/35/752532635.db2.gz ZFQPEHKFDZTNCD-BZUAXINKSA-N 1 3 332.448 0.863 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938093103 753213869 /nfs/dbraw/zinc/21/38/69/753213869.db2.gz OWQPSFDDMOJDDU-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938093103 753213876 /nfs/dbraw/zinc/21/38/76/753213876.db2.gz OWQPSFDDMOJDDU-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001030019478 753280875 /nfs/dbraw/zinc/28/08/75/753280875.db2.gz PZKHIYUZXIDLFX-HRCADAONSA-N 1 3 338.496 0.824 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051503410 762231363 /nfs/dbraw/zinc/23/13/63/762231363.db2.gz MFOGFQZDHKGRES-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(N)=O)CCC1 ZINC001105574834 753848857 /nfs/dbraw/zinc/84/88/57/753848857.db2.gz JMNAVTQSHHSTRN-OAHLLOKOSA-N 1 3 338.496 0.955 20 0 ECADHO CN1CCC[C@H](N2CC[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028659090 754379554 /nfs/dbraw/zinc/37/95/54/754379554.db2.gz OAYNYCXESZSUFH-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO Cn1nccc1CCN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009200819 754644712 /nfs/dbraw/zinc/64/47/12/754644712.db2.gz HDLMPKSMGULNFD-JKSUJKDBSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CCN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009200819 754644715 /nfs/dbraw/zinc/64/47/15/754644715.db2.gz HDLMPKSMGULNFD-JKSUJKDBSA-N 1 3 333.480 0.885 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000990276435 754931563 /nfs/dbraw/zinc/93/15/63/754931563.db2.gz JDBKRLKBHSOKQL-SJORKVTESA-N 1 3 348.491 0.815 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001060037852 755220782 /nfs/dbraw/zinc/22/07/82/755220782.db2.gz NYFDDUMZERPUKN-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001060037852 755220786 /nfs/dbraw/zinc/22/07/86/755220786.db2.gz NYFDDUMZERPUKN-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001028846016 755293737 /nfs/dbraw/zinc/29/37/37/755293737.db2.gz WARZIVVTYKMLAI-IRXDYDNUSA-N 1 3 348.495 0.979 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028846016 755293741 /nfs/dbraw/zinc/29/37/41/755293741.db2.gz WARZIVVTYKMLAI-IRXDYDNUSA-N 1 3 348.495 0.979 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001030020915 755687731 /nfs/dbraw/zinc/68/77/31/755687731.db2.gz PTDSZOPOOMQLPB-ARFHVFGLSA-N 1 3 338.496 0.774 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@]23CCC[C@H]2N(CCO)CC3)n1 ZINC000990739641 755806570 /nfs/dbraw/zinc/80/65/70/755806570.db2.gz JJJYNUXILGWSRV-WBVHZDCISA-N 1 3 335.452 0.164 20 0 ECADHO C[C@@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)CN1C(=O)Cc1c[nH]cn1 ZINC001010328329 756007966 /nfs/dbraw/zinc/00/79/66/756007966.db2.gz SZZDIUFUKYDGND-KGLIPLIRSA-N 1 3 345.447 0.401 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001010722318 756443818 /nfs/dbraw/zinc/44/38/18/756443818.db2.gz HKXNYIMDKKOMMU-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001010722318 756443821 /nfs/dbraw/zinc/44/38/21/756443821.db2.gz HKXNYIMDKKOMMU-JKSUJKDBSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001010731818 756456704 /nfs/dbraw/zinc/45/67/04/756456704.db2.gz DSCGMZOKDDATDO-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001076462181 756550497 /nfs/dbraw/zinc/55/04/97/756550497.db2.gz KQRPPNVYSFVDIJ-HRCADAONSA-N 1 3 332.452 0.153 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001076462181 756550501 /nfs/dbraw/zinc/55/05/01/756550501.db2.gz KQRPPNVYSFVDIJ-HRCADAONSA-N 1 3 332.452 0.153 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001010896805 756649724 /nfs/dbraw/zinc/64/97/24/756649724.db2.gz BFSOYJPSOXXDSI-AWEZNQCLSA-N 1 3 345.447 0.355 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001010896805 756649728 /nfs/dbraw/zinc/64/97/28/756649728.db2.gz BFSOYJPSOXXDSI-AWEZNQCLSA-N 1 3 345.447 0.355 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001076628371 756750088 /nfs/dbraw/zinc/75/00/88/756750088.db2.gz KPYDFZWFZGEARH-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001076628371 756750090 /nfs/dbraw/zinc/75/00/90/756750090.db2.gz KPYDFZWFZGEARH-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO O=C(CC[NH+]1CCCCC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001011162876 757081503 /nfs/dbraw/zinc/08/15/03/757081503.db2.gz ADLXPRQSUFLSCL-UHFFFAOYSA-N 1 3 336.480 0.629 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996302849 757315041 /nfs/dbraw/zinc/31/50/41/757315041.db2.gz ZVLGYSFCAUUTTM-SJKOYZFVSA-N 1 3 342.459 0.511 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996302849 757315051 /nfs/dbraw/zinc/31/50/51/757315051.db2.gz ZVLGYSFCAUUTTM-SJKOYZFVSA-N 1 3 342.459 0.511 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001011262429 757322358 /nfs/dbraw/zinc/32/23/58/757322358.db2.gz GXINJMGZPCEHLV-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001011262429 757322366 /nfs/dbraw/zinc/32/23/66/757322366.db2.gz GXINJMGZPCEHLV-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)C1(C(=O)N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CCC1 ZINC001011262724 757324836 /nfs/dbraw/zinc/32/48/36/757324836.db2.gz MTMZSQAXNXGGSS-UHFFFAOYSA-N 1 3 348.491 0.770 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001011329516 757533106 /nfs/dbraw/zinc/53/31/06/757533106.db2.gz PKXCDWKJORIOCW-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001076924301 757611488 /nfs/dbraw/zinc/61/14/88/757611488.db2.gz ITNPXZQQKOXJJP-HNNXBMFYSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001076958169 757751745 /nfs/dbraw/zinc/75/17/45/757751745.db2.gz YIIGIJMARGLDLX-BBRMVZONSA-N 1 3 326.485 0.678 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001049056972 757800880 /nfs/dbraw/zinc/80/08/80/757800880.db2.gz FRQXADARIXJYHZ-OIISXLGYSA-N 1 3 331.464 0.795 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001049056972 757800899 /nfs/dbraw/zinc/80/08/99/757800899.db2.gz FRQXADARIXJYHZ-OIISXLGYSA-N 1 3 331.464 0.795 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001049057324 757803584 /nfs/dbraw/zinc/80/35/84/757803584.db2.gz DONZTVPLGAMJFX-FPCVCCKLSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001049057324 757803598 /nfs/dbraw/zinc/80/35/98/757803598.db2.gz DONZTVPLGAMJFX-FPCVCCKLSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCn4cccn4)C[C@@H]3C2)C1 ZINC001049058510 757815894 /nfs/dbraw/zinc/81/58/94/757815894.db2.gz FNBXNOULENDUJE-ZACQAIPSSA-N 1 3 331.464 0.615 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]3C2)C1 ZINC001049058510 757815909 /nfs/dbraw/zinc/81/59/09/757815909.db2.gz FNBXNOULENDUJE-ZACQAIPSSA-N 1 3 331.464 0.615 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049059249 757823515 /nfs/dbraw/zinc/82/35/15/757823515.db2.gz OOMCQINFVGOFFW-NCOADZHNSA-N 1 3 348.491 0.339 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049059249 757823530 /nfs/dbraw/zinc/82/35/30/757823530.db2.gz OOMCQINFVGOFFW-NCOADZHNSA-N 1 3 348.491 0.339 20 0 ECADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1N[C@H]1CCCNC1=O ZINC000996517839 757924784 /nfs/dbraw/zinc/92/47/84/757924784.db2.gz AXYWZCLIUDGHSI-KBPBESRZSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001077021371 757958018 /nfs/dbraw/zinc/95/80/18/757958018.db2.gz YKWNLPOABOCITR-SUMWQHHRSA-N 1 3 338.496 0.822 20 0 ECADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(NCc2cnns2)CC1 ZINC000996561525 758050918 /nfs/dbraw/zinc/05/09/18/758050918.db2.gz PZQAQFPCUZLADT-OAHLLOKOSA-N 1 3 335.477 0.961 20 0 ECADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996618842 758256982 /nfs/dbraw/zinc/25/69/82/758256982.db2.gz GHPVLTKYTYPCJE-HOTGVXAUSA-N 1 3 347.463 0.364 20 0 ECADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996618842 758256990 /nfs/dbraw/zinc/25/69/90/758256990.db2.gz GHPVLTKYTYPCJE-HOTGVXAUSA-N 1 3 347.463 0.364 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022090450 758264138 /nfs/dbraw/zinc/26/41/38/758264138.db2.gz YPLQHQICARVCOV-LZWOXQAQSA-N 1 3 332.452 0.377 20 0 ECADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128707 758267293 /nfs/dbraw/zinc/26/72/93/758267293.db2.gz BFCPCNMJHOEMMN-IXDOHACOSA-N 1 3 339.480 0.591 20 0 ECADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128707 758267304 /nfs/dbraw/zinc/26/73/04/758267304.db2.gz BFCPCNMJHOEMMN-IXDOHACOSA-N 1 3 339.480 0.591 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001022120369 758302862 /nfs/dbraw/zinc/30/28/62/758302862.db2.gz LZDKJHTTXKWPKN-YVSFHVDLSA-N 1 3 337.464 0.513 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049232650 758395171 /nfs/dbraw/zinc/39/51/71/758395171.db2.gz BTTBQDKCIXNMKG-BBWFWOEESA-N 1 3 346.479 0.543 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049232650 758395180 /nfs/dbraw/zinc/39/51/80/758395180.db2.gz BTTBQDKCIXNMKG-BBWFWOEESA-N 1 3 346.479 0.543 20 0 ECADHO CN(CC(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1)C1CCC1 ZINC000996667484 758396924 /nfs/dbraw/zinc/39/69/24/758396924.db2.gz ZKDMXOIHSZEBHW-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1)C1CC1 ZINC000996677620 758447789 /nfs/dbraw/zinc/44/77/89/758447789.db2.gz LSDRYRGPCKQCFM-RDJZCZTQSA-N 1 3 346.479 0.686 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1)N(C)C ZINC000996689177 758480327 /nfs/dbraw/zinc/48/03/27/758480327.db2.gz APOHJQOGDMSIBU-HNNXBMFYSA-N 1 3 339.484 0.178 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)CN1CCCC1 ZINC001011771548 758535073 /nfs/dbraw/zinc/53/50/73/758535073.db2.gz LMYNRFDHPSLMTF-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022807885 759129421 /nfs/dbraw/zinc/12/94/21/759129421.db2.gz OMUDKOJXISIFII-IJEWVQPXSA-N 1 3 334.468 0.815 20 0 ECADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022807885 759129426 /nfs/dbraw/zinc/12/94/26/759129426.db2.gz OMUDKOJXISIFII-IJEWVQPXSA-N 1 3 334.468 0.815 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC001022841144 759162943 /nfs/dbraw/zinc/16/29/43/759162943.db2.gz DHQWENRVCKWLDG-OFQRWUPVSA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC001022841144 759162944 /nfs/dbraw/zinc/16/29/44/759162944.db2.gz DHQWENRVCKWLDG-OFQRWUPVSA-N 1 3 345.447 0.353 20 0 ECADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001107037233 759491212 /nfs/dbraw/zinc/49/12/12/759491212.db2.gz XXVWGAMMJIJZPN-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNCc1nncn1C ZINC001048302706 760260417 /nfs/dbraw/zinc/26/04/17/760260417.db2.gz FIRGAGJHMWURRE-HUUCEWRRSA-N 1 3 346.479 0.628 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050520762 760419083 /nfs/dbraw/zinc/41/90/83/760419083.db2.gz JRVBAFBDNOKEJV-CVEARBPZSA-N 1 3 348.491 0.517 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001048397317 760437148 /nfs/dbraw/zinc/43/71/48/760437148.db2.gz KGGWWBLPBLMOTM-OCCSQVGLSA-N 1 3 330.436 0.878 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNCc1nccn1C ZINC001048441524 760536330 /nfs/dbraw/zinc/53/63/30/760536330.db2.gz QDYNFMAMYVCIGO-HUUCEWRRSA-N 1 3 331.464 0.700 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C)n1 ZINC001048476292 760588370 /nfs/dbraw/zinc/58/83/70/760588370.db2.gz RHBJRNYAPKXNKK-GJZGRUSLSA-N 1 3 347.463 0.765 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CNCc1nncn1C ZINC001048477815 760591225 /nfs/dbraw/zinc/59/12/25/760591225.db2.gz DGBBJOPOXLUZAJ-HOTGVXAUSA-N 1 3 348.495 0.875 20 0 ECADHO CC(C)[C@H](C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2)[NH+](C)C ZINC001050652675 760630183 /nfs/dbraw/zinc/63/01/83/760630183.db2.gz XQOJPZVOEXNECE-LSDHHAIUSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCC(=O)N3CCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995823302 760657447 /nfs/dbraw/zinc/65/74/47/760657447.db2.gz FHBRQKRRAIFJPL-RBSFLKMASA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCC(=O)N3CCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995823302 760657450 /nfs/dbraw/zinc/65/74/50/760657450.db2.gz FHBRQKRRAIFJPL-RBSFLKMASA-N 1 3 336.480 0.386 20 0 ECADHO CN1CC[C@@H](N2CCC3(CN(C(=O)C45CC[NH+](CC4)C5)C3)CC2)C1=O ZINC001050732236 760749681 /nfs/dbraw/zinc/74/96/81/760749681.db2.gz NIVOMVHSXZIOIS-OAHLLOKOSA-N 1 3 346.475 0.237 20 0 ECADHO Cn1ncnc1CNC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001048624076 760807828 /nfs/dbraw/zinc/80/78/28/760807828.db2.gz FLEZNEDCGGAXTF-BZUAXINKSA-N 1 3 348.495 0.779 20 0 ECADHO Cn1ncnc1CNC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001048624076 760807843 /nfs/dbraw/zinc/80/78/43/760807843.db2.gz FLEZNEDCGGAXTF-BZUAXINKSA-N 1 3 348.495 0.779 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000991479345 761139580 /nfs/dbraw/zinc/13/95/80/761139580.db2.gz NUMCNSBTQBWZDP-HOCLYGCPSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000991479345 761139585 /nfs/dbraw/zinc/13/95/85/761139585.db2.gz NUMCNSBTQBWZDP-HOCLYGCPSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000991486845 761183671 /nfs/dbraw/zinc/18/36/71/761183671.db2.gz QWJRGTSJJQKXEY-SJORKVTESA-N 1 3 348.491 0.528 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000991493772 761202406 /nfs/dbraw/zinc/20/24/06/761202406.db2.gz RAYOZTCILRNRIA-BMFZPTHFSA-N 1 3 336.480 0.526 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000991493772 761202408 /nfs/dbraw/zinc/20/24/08/761202408.db2.gz RAYOZTCILRNRIA-BMFZPTHFSA-N 1 3 336.480 0.526 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC2=CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001017465595 768041063 /nfs/dbraw/zinc/04/10/63/768041063.db2.gz ZGMDTGPJNHRSRB-MRXNPFEDSA-N 1 3 334.464 0.309 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001017465595 768041068 /nfs/dbraw/zinc/04/10/68/768041068.db2.gz ZGMDTGPJNHRSRB-MRXNPFEDSA-N 1 3 334.464 0.309 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000991723375 762971555 /nfs/dbraw/zinc/97/15/55/762971555.db2.gz RGWUTAQUCMQVMF-INIZCTEOSA-N 1 3 344.459 0.641 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000991723375 762971559 /nfs/dbraw/zinc/97/15/59/762971559.db2.gz RGWUTAQUCMQVMF-INIZCTEOSA-N 1 3 344.459 0.641 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCO[C@@H](CNCc3cncs3)C2)CC1 ZINC001051797675 762989409 /nfs/dbraw/zinc/98/94/09/762989409.db2.gz DEXDDPWUFLUHFW-AWEZNQCLSA-N 1 3 338.477 0.802 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001051825361 763055599 /nfs/dbraw/zinc/05/55/99/763055599.db2.gz SBYSBYMQJYEUKN-NVXWUHKLSA-N 1 3 339.480 0.714 20 0 ECADHO Cc1noc(CCCN2CC[C@@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001046777275 763108330 /nfs/dbraw/zinc/10/83/30/763108330.db2.gz RLEFEEZQCFNKHT-QGZVFWFLSA-N 1 3 347.463 0.987 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N1CCCCCC1 ZINC001127659986 763143810 /nfs/dbraw/zinc/14/38/10/763143810.db2.gz QJYJMDQMVNSDQX-BZUAXINKSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N1CCCCCC1 ZINC001127659986 763143816 /nfs/dbraw/zinc/14/38/16/763143816.db2.gz QJYJMDQMVNSDQX-BZUAXINKSA-N 1 3 338.496 0.824 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051901705 763274791 /nfs/dbraw/zinc/27/47/91/763274791.db2.gz LWLXZFJBOCZYGA-GOEBONIOSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051901705 763274797 /nfs/dbraw/zinc/27/47/97/763274797.db2.gz LWLXZFJBOCZYGA-GOEBONIOSA-N 1 3 335.452 0.079 20 0 ECADHO CN(CC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001046892042 763317035 /nfs/dbraw/zinc/31/70/35/763317035.db2.gz KUOGUVJQJAAGIA-MAUKXSAKSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001051943106 763408328 /nfs/dbraw/zinc/40/83/28/763408328.db2.gz IKBXNYRHTMUHEM-IAGOWNOFSA-N 1 3 349.479 0.612 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)N(C)C ZINC001106312452 768137816 /nfs/dbraw/zinc/13/78/16/768137816.db2.gz IEZWCYMUKMDRLK-RBSFLKMASA-N 1 3 339.484 0.036 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC2CCCCC2)CC[N@@H+]1C ZINC001127690686 763549257 /nfs/dbraw/zinc/54/92/57/763549257.db2.gz PXPKKAFVTGTFJH-JKSUJKDBSA-N 1 3 338.496 0.871 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC2CCCCC2)CC[N@H+]1C ZINC001127690686 763549262 /nfs/dbraw/zinc/54/92/62/763549262.db2.gz PXPKKAFVTGTFJH-JKSUJKDBSA-N 1 3 338.496 0.871 20 0 ECADHO O=C(N[C@H]1CCN(CCN2CCCC2=O)C1)c1ccn2c[nH+]cc2c1 ZINC001015108344 763898641 /nfs/dbraw/zinc/89/86/41/763898641.db2.gz BDESDSYOJBDTFX-HNNXBMFYSA-N 1 3 341.415 0.761 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001054739020 768214171 /nfs/dbraw/zinc/21/41/71/768214171.db2.gz RSRKBODDCAHLOE-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO COC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047504215 764537432 /nfs/dbraw/zinc/53/74/32/764537432.db2.gz GFQAPVRNQMLJJH-SNPRPXQTSA-N 1 3 339.436 0.493 20 0 ECADHO COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047504215 764537435 /nfs/dbraw/zinc/53/74/35/764537435.db2.gz GFQAPVRNQMLJJH-SNPRPXQTSA-N 1 3 339.436 0.493 20 0 ECADHO CO[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047504739 764538695 /nfs/dbraw/zinc/53/86/95/764538695.db2.gz TYKIZCMCRPXNAH-QEJZJMRPSA-N 1 3 339.436 0.493 20 0 ECADHO CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047504739 764538699 /nfs/dbraw/zinc/53/86/99/764538699.db2.gz TYKIZCMCRPXNAH-QEJZJMRPSA-N 1 3 339.436 0.493 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001052784613 765116837 /nfs/dbraw/zinc/11/68/37/765116837.db2.gz ZXOQCNUKMJFORI-CVEARBPZSA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)CCC1 ZINC000992011177 765150065 /nfs/dbraw/zinc/15/00/65/765150065.db2.gz QLORCZJPUWUOLB-JKSUJKDBSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CCC1 ZINC000992011177 765150072 /nfs/dbraw/zinc/15/00/72/765150072.db2.gz QLORCZJPUWUOLB-JKSUJKDBSA-N 1 3 348.491 0.815 20 0 ECADHO CC[C@H](CN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)OC ZINC001015827533 765391389 /nfs/dbraw/zinc/39/13/89/765391389.db2.gz 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C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106662896 768573180 /nfs/dbraw/zinc/57/31/80/768573180.db2.gz IZHIULHFJVPZOG-OWCLPIDISA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001106672531 768588176 /nfs/dbraw/zinc/58/81/76/768588176.db2.gz BLUNXCGJPRBEKU-RBSFLKMASA-N 1 3 338.496 0.537 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001106704966 768693438 /nfs/dbraw/zinc/69/34/38/768693438.db2.gz LGJQFIOVHZNTTR-ZIAGYGMSSA-N 1 3 349.479 0.799 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055344836 768802265 /nfs/dbraw/zinc/80/22/65/768802265.db2.gz FQRJVNUXSZBUJU-HRCADAONSA-N 1 3 336.480 0.195 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055344836 768802272 /nfs/dbraw/zinc/80/22/72/768802272.db2.gz FQRJVNUXSZBUJU-HRCADAONSA-N 1 3 336.480 0.195 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1)C1CC1 ZINC001055374431 768828473 /nfs/dbraw/zinc/82/84/73/768828473.db2.gz IBOQEOXOICTDHY-UXLLHSPISA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCOCCO ZINC001106798721 769021675 /nfs/dbraw/zinc/02/16/75/769021675.db2.gz SCRBDYUMOUYWAM-IAGOWNOFSA-N 1 3 341.496 0.411 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001018634209 769686921 /nfs/dbraw/zinc/68/69/21/769686921.db2.gz HCFOZTHCXLQHBS-JKSUJKDBSA-N 1 3 330.432 0.570 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000993870979 769822878 /nfs/dbraw/zinc/82/28/78/769822878.db2.gz UIMRXBDCAWCRLL-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC[C@H]2C)C1)N(C)C ZINC001019033508 770611070 /nfs/dbraw/zinc/61/10/70/770611070.db2.gz QLWRARWHTDCTRE-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)CN3CCCC3)C2)C1 ZINC001019040604 770638963 /nfs/dbraw/zinc/63/89/63/770638963.db2.gz 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ZINC001020316851 772438079 /nfs/dbraw/zinc/43/80/79/772438079.db2.gz UJIRPXWGDQIYRD-MGPQQGTHSA-N 1 3 342.447 0.994 20 0 ECADHO Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc3ccnn3C)C1)C2 ZINC001020316851 772438082 /nfs/dbraw/zinc/43/80/82/772438082.db2.gz UJIRPXWGDQIYRD-MGPQQGTHSA-N 1 3 342.447 0.994 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C)N(C)C ZINC001020366966 772497848 /nfs/dbraw/zinc/49/78/48/772497848.db2.gz IBDCIWZLVHRLHQ-SOUVJXGZSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406202 772549661 /nfs/dbraw/zinc/54/96/61/772549661.db2.gz MWLGAVJFWQJILS-JZGWKDSFSA-N 1 3 349.475 0.513 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020407042 772551157 /nfs/dbraw/zinc/55/11/57/772551157.db2.gz LIJXIWWIHCWDQJ-PWCZCJRZSA-N 1 3 348.472 0.743 20 0 ECADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001045039819 774882999 /nfs/dbraw/zinc/88/29/99/774882999.db2.gz OVZMDDWBUDDJFZ-IRXDYDNUSA-N 1 3 331.464 0.843 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001045044432 774891283 /nfs/dbraw/zinc/89/12/83/774891283.db2.gz IBGVQOFKZYJVLP-SOUVJXGZSA-N 1 3 334.468 0.924 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001045044432 774891294 /nfs/dbraw/zinc/89/12/94/774891294.db2.gz IBGVQOFKZYJVLP-SOUVJXGZSA-N 1 3 334.468 0.924 20 0 ECADHO O=C(N1CCC[C@H]1CN[C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001045088436 774957977 /nfs/dbraw/zinc/95/79/77/774957977.db2.gz LRHAQBXIONOHNK-LSDHHAIUSA-N 1 3 334.464 0.332 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001045089957 774959459 /nfs/dbraw/zinc/95/94/59/774959459.db2.gz SDQJNFIWWVFOBQ-JKSUJKDBSA-N 1 3 334.464 0.806 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2n2ccnn2)CC1 ZINC001070015059 790330079 /nfs/dbraw/zinc/33/00/79/790330079.db2.gz AVFCRHJSEJOTPN-SJORKVTESA-N 1 3 346.479 0.762 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001045201128 775129354 /nfs/dbraw/zinc/12/93/54/775129354.db2.gz VKTCIMJDXVMDQY-WBVHZDCISA-N 1 3 346.475 0.950 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)cc1 ZINC001045241964 775212940 /nfs/dbraw/zinc/21/29/40/775212940.db2.gz QFSCDBLXJYNMED-IRXDYDNUSA-N 1 3 344.459 0.831 20 0 ECADHO CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001080012618 777228039 /nfs/dbraw/zinc/22/80/39/777228039.db2.gz HSCYFTKGFWODFI-OAHLLOKOSA-N 1 3 347.463 0.886 20 0 ECADHO CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001080012618 777228047 /nfs/dbraw/zinc/22/80/47/777228047.db2.gz HSCYFTKGFWODFI-OAHLLOKOSA-N 1 3 347.463 0.886 20 0 ECADHO CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080187723 777519855 /nfs/dbraw/zinc/51/98/55/777519855.db2.gz DAHUJFDMUWJIKC-HZPDHXFCSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(C(=O)[C@@H](C(C)C)N(C)C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080190461 777523864 /nfs/dbraw/zinc/52/38/64/777523864.db2.gz RZXPCIHWAFUBDT-MRXNPFEDSA-N 1 3 326.485 0.584 20 0 ECADHO CCN(C(=O)CN1CCC(C)CC1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080347548 777724849 /nfs/dbraw/zinc/72/48/49/777724849.db2.gz WZOJRVCXQCQDDY-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001080555022 778014434 /nfs/dbraw/zinc/01/44/34/778014434.db2.gz KJRNCQDPGFVXMG-GDBMZVCRSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001080555022 778014442 /nfs/dbraw/zinc/01/44/42/778014442.db2.gz KJRNCQDPGFVXMG-GDBMZVCRSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080559682 778034841 /nfs/dbraw/zinc/03/48/41/778034841.db2.gz LMZCBJWNTNWGTO-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080559682 778034851 /nfs/dbraw/zinc/03/48/51/778034851.db2.gz LMZCBJWNTNWGTO-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070097336 790595743 /nfs/dbraw/zinc/59/57/43/790595743.db2.gz MZJOQTWOPXHMAS-XHSDSOJGSA-N 1 3 332.452 0.371 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070097336 790595752 /nfs/dbraw/zinc/59/57/52/790595752.db2.gz MZJOQTWOPXHMAS-XHSDSOJGSA-N 1 3 332.452 0.371 20 0 ECADHO Cn1nncc1CN[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078718057 780394458 /nfs/dbraw/zinc/39/44/58/780394458.db2.gz KKVVMRGINDINQN-CVEARBPZSA-N 1 3 346.479 0.674 20 0 ECADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263054 780935926 /nfs/dbraw/zinc/93/59/26/780935926.db2.gz KWRQBKWAILEGPR-VNQPRFMTSA-N 1 3 348.447 0.272 20 0 ECADHO CC1CC(CN2C[C@@H](O)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001077818310 781752888 /nfs/dbraw/zinc/75/28/88/781752888.db2.gz NDIZHYLZIBBJLF-GMGZGELVSA-N 1 3 349.479 0.266 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CCC2(C1)CCN([C@@H]1CCNC1=O)CC2)C1CC1 ZINC001040726503 783335643 /nfs/dbraw/zinc/33/56/43/783335643.db2.gz JWQKNUFDMCAMPO-CVEARBPZSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1NCc1cnn(C)n1 ZINC001037924955 783705565 /nfs/dbraw/zinc/70/55/65/783705565.db2.gz MNALYJHGXXOLPN-WMLDXEAASA-N 1 3 348.495 0.874 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001071054026 784490356 /nfs/dbraw/zinc/49/03/56/784490356.db2.gz WDHOMGPYISVZOG-NVXWUHKLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cncn1C ZINC001070655513 784507746 /nfs/dbraw/zinc/50/77/46/784507746.db2.gz PCXBWPZVJROBOM-RBSFLKMASA-N 1 3 349.479 0.169 20 0 ECADHO C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001071104457 784542015 /nfs/dbraw/zinc/54/20/15/784542015.db2.gz YAXHHCMGQSEAIC-KYJSFNMBSA-N 1 3 339.480 0.449 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1NC(=O)CCC[NH+](C)C ZINC001072291125 785995332 /nfs/dbraw/zinc/99/53/32/785995332.db2.gz WVUPKOPXQCHXRW-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001072432527 786175892 /nfs/dbraw/zinc/17/58/92/786175892.db2.gz JTPQHEFBALZSNQ-GDBMZVCRSA-N 1 3 348.491 0.530 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001072477842 786241618 /nfs/dbraw/zinc/24/16/18/786241618.db2.gz CCTGXFLCGCBJLS-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001073627452 786806467 /nfs/dbraw/zinc/80/64/67/786806467.db2.gz USKBPPOSSOXSCU-JKSUJKDBSA-N 1 3 327.469 0.450 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073627452 786806479 /nfs/dbraw/zinc/80/64/79/786806479.db2.gz USKBPPOSSOXSCU-JKSUJKDBSA-N 1 3 327.469 0.450 20 0 ECADHO CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700876 787001804 /nfs/dbraw/zinc/00/18/04/787001804.db2.gz YDKJRGQBXFUVDZ-LPMVOBIJSA-N 1 3 337.464 0.467 20 0 ECADHO CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700876 787001813 /nfs/dbraw/zinc/00/18/13/787001813.db2.gz YDKJRGQBXFUVDZ-LPMVOBIJSA-N 1 3 337.464 0.467 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CN(CCOC)CCCO2)C1 ZINC001073741780 787099098 /nfs/dbraw/zinc/09/90/98/787099098.db2.gz XCCJNMINVSKGRC-SJORKVTESA-N 1 3 341.496 0.962 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CN(CCOC)CCCO2)C1 ZINC001073741780 787099105 /nfs/dbraw/zinc/09/91/05/787099105.db2.gz XCCJNMINVSKGRC-SJORKVTESA-N 1 3 341.496 0.962 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001073746403 787113165 /nfs/dbraw/zinc/11/31/65/787113165.db2.gz XHVJYPUAJZMMJW-JYJNAYRXSA-N 1 3 327.469 0.570 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073746403 787113171 /nfs/dbraw/zinc/11/31/71/787113171.db2.gz XHVJYPUAJZMMJW-JYJNAYRXSA-N 1 3 327.469 0.570 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001072624070 788455783 /nfs/dbraw/zinc/45/57/83/788455783.db2.gz IQLZQOYPZZBLFM-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072740673 788683832 /nfs/dbraw/zinc/68/38/32/788683832.db2.gz FRDFNFPUHDXTOC-INIZCTEOSA-N 1 3 344.463 0.154 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001072742493 788691007 /nfs/dbraw/zinc/69/10/07/788691007.db2.gz RDHULHBGIZMLTK-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001072742493 788691013 /nfs/dbraw/zinc/69/10/13/788691013.db2.gz RDHULHBGIZMLTK-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)CCN1C(=O)CN1CCCC1 ZINC001075108718 788916849 /nfs/dbraw/zinc/91/68/49/788916849.db2.gz FOCDXNUJRKZOKW-XIRDDKMYSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001075335604 789228723 /nfs/dbraw/zinc/22/87/23/789228723.db2.gz PXMPSQWRSBOBGN-ZFWWWQNUSA-N 1 3 330.436 0.960 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)Cn1cccn1)C2)N(C)C ZINC001072989539 789234611 /nfs/dbraw/zinc/23/46/11/789234611.db2.gz KVGWBCMXJVEPJS-CVEARBPZSA-N 1 3 349.479 0.119 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)Cn1cccn1)C2)N(C)C ZINC001072989539 789234618 /nfs/dbraw/zinc/23/46/18/789234618.db2.gz KVGWBCMXJVEPJS-CVEARBPZSA-N 1 3 349.479 0.119 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)NC2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001073277296 789692192 /nfs/dbraw/zinc/69/21/92/789692192.db2.gz REVUFHZLDYOAAL-CQSZACIVSA-N 1 3 347.463 0.791 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)NC2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001073277296 789692202 /nfs/dbraw/zinc/69/22/02/789692202.db2.gz REVUFHZLDYOAAL-CQSZACIVSA-N 1 3 347.463 0.791 20 0 ECADHO C[NH+](C)CC1(C(=O)NC2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001073277448 789693915 /nfs/dbraw/zinc/69/39/15/789693915.db2.gz VLBOETYDHCQELK-UHFFFAOYSA-N 1 3 347.463 0.791 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001067010648 792572341 /nfs/dbraw/zinc/57/23/41/792572341.db2.gz RSHLODKTBINUOR-HZPDHXFCSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001068145851 792744377 /nfs/dbraw/zinc/74/43/77/792744377.db2.gz DHQCEDHOVIRBOI-INIZCTEOSA-N 1 3 340.512 0.977 20 0 ECADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001068145851 792744378 /nfs/dbraw/zinc/74/43/78/792744378.db2.gz DHQCEDHOVIRBOI-INIZCTEOSA-N 1 3 340.512 0.977 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001267428985 837400153 /nfs/dbraw/zinc/40/01/53/837400153.db2.gz JTTGTWZLDKUMQX-NWDGAFQWSA-N 1 3 325.375 0.690 20 0 ECADHO CN(CCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)[C@H]1CCCN1C ZINC001408610271 837466971 /nfs/dbraw/zinc/46/69/71/837466971.db2.gz GZNRHSMSOOQQCQ-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCN1CCN(CCF)CC1 ZINC001266277780 835603691 /nfs/dbraw/zinc/60/36/91/835603691.db2.gz PPIFLCAJLIPXBO-INIZCTEOSA-N 1 3 344.475 0.048 20 0 ECADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266561619 835990038 /nfs/dbraw/zinc/99/00/38/835990038.db2.gz AGUKQVNCUFHSAT-HOCLYGCPSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N(CC)C2CC2)CC[N@@H+]1C ZINC001266706627 836175164 /nfs/dbraw/zinc/17/51/64/836175164.db2.gz WODUQEPBVODLBP-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N(CC)C2CC2)CC[N@H+]1C ZINC001266706627 836175171 /nfs/dbraw/zinc/17/51/71/836175171.db2.gz WODUQEPBVODLBP-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266879976 836427643 /nfs/dbraw/zinc/42/76/43/836427643.db2.gz DWJNGCVLNVEBDV-ZIAGYGMSSA-N 1 3 338.452 0.104 20 0 ECADHO CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001267000929 836589048 /nfs/dbraw/zinc/58/90/48/836589048.db2.gz HBIITBMIRGQCCR-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001267057257 836692122 /nfs/dbraw/zinc/69/21/22/836692122.db2.gz DJLWRRGNIUFQMB-LSDHHAIUSA-N 1 3 345.509 0.201 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCOCCO)C1 ZINC001267597703 837904441 /nfs/dbraw/zinc/90/44/41/837904441.db2.gz ZPZXYVYHXFFQHM-DLBZAZTESA-N 1 3 341.496 0.650 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCOCCO)C1 ZINC001267597703 837904446 /nfs/dbraw/zinc/90/44/46/837904446.db2.gz ZPZXYVYHXFFQHM-DLBZAZTESA-N 1 3 341.496 0.650 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000418829902 282170074 /nfs/dbraw/zinc/17/00/74/282170074.db2.gz DYZHXXRWEFJHKU-HZPDHXFCSA-N 1 3 332.448 0.144 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC1(N(C)C)CCC1)C[NH+]1CCCCC1 ZINC000354791334 299128785 /nfs/dbraw/zinc/12/87/85/299128785.db2.gz NFMOTIBOXMGZIK-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423185953 295819398 /nfs/dbraw/zinc/81/93/98/295819398.db2.gz KGRLMDSMPDKUBP-YCPHGPKFSA-N 1 3 338.496 0.618 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C[C@@H]21 ZINC000410777202 283080051 /nfs/dbraw/zinc/08/00/51/283080051.db2.gz BIEZWNYGIQVRPG-FPCVCCKLSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C[C@@H]21 ZINC000410777202 283080054 /nfs/dbraw/zinc/08/00/54/283080054.db2.gz BIEZWNYGIQVRPG-FPCVCCKLSA-N 1 3 334.464 0.092 20 0 ECADHO COC(=O)CN(C)C(=O)CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441260218 291064683 /nfs/dbraw/zinc/06/46/83/291064683.db2.gz AIXNXOSMWKJGBU-QLFBSQMISA-N 1 3 341.452 0.191 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423413620 283231884 /nfs/dbraw/zinc/23/18/84/283231884.db2.gz LBHCDNPSPIBENX-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420439579 209365658 /nfs/dbraw/zinc/36/56/58/209365658.db2.gz BFNRUVUDIQYDES-UONOGXRCSA-N 1 3 343.497 0.467 20 0 ECADHO COC(=O)c1ccccc1OCCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350855 209356741 /nfs/dbraw/zinc/35/67/41/209356741.db2.gz VBBANNJTEKFZEG-OAHLLOKOSA-N 1 3 333.432 0.832 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420107172 209307989 /nfs/dbraw/zinc/30/79/89/209307989.db2.gz ALUSLOSIIZIBKO-CVEARBPZSA-N 1 3 340.512 0.927 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000420083069 209302044 /nfs/dbraw/zinc/30/20/44/209302044.db2.gz SBUMUCPYACQTKT-CQSZACIVSA-N 1 3 342.484 0.189 20 0 ECADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420085151 209301114 /nfs/dbraw/zinc/30/11/14/209301114.db2.gz ZBSHDKCGVUVLPH-UHFFFAOYSA-N 1 3 338.427 0.569 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419961699 209262487 /nfs/dbraw/zinc/26/24/87/209262487.db2.gz SVPRDAYBKLMWPX-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000419948386 209257215 /nfs/dbraw/zinc/25/72/15/209257215.db2.gz ZGBGASKQJQALLO-AWEZNQCLSA-N 1 3 326.485 0.668 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419927735 209252370 /nfs/dbraw/zinc/25/23/70/209252370.db2.gz KEGDHOSRQRSGTE-HOCLYGCPSA-N 1 3 332.448 0.603 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419927735 209252373 /nfs/dbraw/zinc/25/23/73/209252373.db2.gz KEGDHOSRQRSGTE-HOCLYGCPSA-N 1 3 332.448 0.603 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419852228 209225180 /nfs/dbraw/zinc/22/51/80/209225180.db2.gz CDZUMYIPMNHSDE-INIZCTEOSA-N 1 3 340.512 0.929 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000419835950 209218244 /nfs/dbraw/zinc/21/82/44/209218244.db2.gz VLGSXXVUJVVJSB-OAGGEKHMSA-N 1 3 330.432 0.546 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000419835950 209218246 /nfs/dbraw/zinc/21/82/46/209218246.db2.gz VLGSXXVUJVVJSB-OAGGEKHMSA-N 1 3 330.432 0.546 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000419759377 209198468 /nfs/dbraw/zinc/19/84/68/209198468.db2.gz GUCKZAYOWPRABE-CJNGLKHVSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)[NH+]1CCCCC1 ZINC000419714653 209183500 /nfs/dbraw/zinc/18/35/00/209183500.db2.gz ODUQTWHQPRJVTE-OWCLPIDISA-N 1 3 338.496 0.953 20 0 ECADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)cc1 ZINC000262533519 245021933 /nfs/dbraw/zinc/02/19/33/245021933.db2.gz QAGKBCYHNHHCAI-FUHWJXTLSA-N 1 3 347.459 0.746 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419700266 209176976 /nfs/dbraw/zinc/17/69/76/209176976.db2.gz SCENGUFDYKQJPV-CABCVRRESA-N 1 3 326.485 0.713 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000419697225 209175120 /nfs/dbraw/zinc/17/51/20/209175120.db2.gz QJLPHXRHZGCJGT-ZFWWWQNUSA-N 1 3 336.480 0.705 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419692752 209172661 /nfs/dbraw/zinc/17/26/61/209172661.db2.gz HEKHLFYWLVFQEN-OAHLLOKOSA-N 1 3 334.464 0.546 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419667436 209165360 /nfs/dbraw/zinc/16/53/60/209165360.db2.gz AKLNPFWRFAAVPE-ARFHVFGLSA-N 1 3 338.496 0.809 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419653102 209158574 /nfs/dbraw/zinc/15/85/74/209158574.db2.gz FEYSTUOTRZCWCK-RDJZCZTQSA-N 1 3 346.475 0.881 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419777036 209202703 /nfs/dbraw/zinc/20/27/03/209202703.db2.gz MMNQMAHOTLFHQN-ZIAGYGMSSA-N 1 3 326.485 0.713 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCSC1 ZINC000419585435 209133766 /nfs/dbraw/zinc/13/37/66/209133766.db2.gz NHGAHTGQNAOPJU-XEZPLFJOSA-N 1 3 342.509 0.174 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)[C@H]1CC[NH2+]C1 ZINC000419578334 209131852 /nfs/dbraw/zinc/13/18/52/209131852.db2.gz FPCMYKGFYHMXPN-XJKSGUPXSA-N 1 3 342.509 0.140 20 0 ECADHO COCCOC[C@@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450341261 211320944 /nfs/dbraw/zinc/32/09/44/211320944.db2.gz JGSFOUCHKYRJDW-JZXOWHBKSA-N 1 3 344.496 0.832 20 0 ECADHO COCCOC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450341260 211319989 /nfs/dbraw/zinc/31/99/89/211319989.db2.gz JGSFOUCHKYRJDW-JFIYKMOQSA-N 1 3 344.496 0.832 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN(C)C1=O ZINC000448854954 211262657 /nfs/dbraw/zinc/26/26/57/211262657.db2.gz WTBDEMPRAPNSOV-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN(C)C1=O ZINC000448854954 211262660 /nfs/dbraw/zinc/26/26/60/211262660.db2.gz WTBDEMPRAPNSOV-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCO[C@H]1C[C@@](N)(C(=O)NC2CC[NH+](CCOC)CC2)C1(C)C ZINC000444170339 211054773 /nfs/dbraw/zinc/05/47/73/211054773.db2.gz MZKDCAHMSBSLMA-WMLDXEAASA-N 1 3 327.469 0.746 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC001041676445 781969986 /nfs/dbraw/zinc/96/99/86/781969986.db2.gz XMIBWPDPXHSFBS-FUHWJXTLSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC001041676445 781969996 /nfs/dbraw/zinc/96/99/96/781969996.db2.gz XMIBWPDPXHSFBS-FUHWJXTLSA-N 1 3 346.479 0.687 20 0 ECADHO COc1ccc(CNC(=O)C2CCN(CCOCC[NH3+])CC2)cc1 ZINC000357088015 299515639 /nfs/dbraw/zinc/51/56/39/299515639.db2.gz NTAUHBDCDNFIJD-UHFFFAOYSA-N 1 3 335.448 0.999 20 0 ECADHO CCN1CCC(CCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000357237656 299543841 /nfs/dbraw/zinc/54/38/41/299543841.db2.gz HCGLHBKVJBKBLX-UHFFFAOYSA-N 1 3 345.509 0.391 20 0 ECADHO CCN(CC)CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000412472407 208239260 /nfs/dbraw/zinc/23/92/60/208239260.db2.gz IRYPUPLYJCRIRA-UHFFFAOYSA-N 1 3 326.485 0.241 20 0 ECADHO COC1CC[NH+](C2(CNC(=O)C[C@H]3CNCCO3)CCCC2)CC1 ZINC000430709409 210398310 /nfs/dbraw/zinc/39/83/10/210398310.db2.gz XLIPGHMUMIAJND-INIZCTEOSA-N 1 3 339.480 0.905 20 0 ECADHO CN(C)C(=O)c1cccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430620257 210389796 /nfs/dbraw/zinc/38/97/96/210389796.db2.gz AXQFJNCOFZKZSK-MRXNPFEDSA-N 1 3 332.448 0.675 20 0 ECADHO C[C@@H](C(=O)NCCc1ccccc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430607384 210388677 /nfs/dbraw/zinc/38/86/77/210388677.db2.gz YLTGVRUHLCXOLR-RDJZCZTQSA-N 1 3 346.475 0.521 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419475839 209105132 /nfs/dbraw/zinc/10/51/32/209105132.db2.gz FMGKRKLYWMQFHE-IYBDPMFKSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419475839 209105135 /nfs/dbraw/zinc/10/51/35/209105135.db2.gz FMGKRKLYWMQFHE-IYBDPMFKSA-N 1 3 338.496 0.683 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000415369781 208503280 /nfs/dbraw/zinc/50/32/80/208503280.db2.gz CFKXDAQNLWNQOW-CQSZACIVSA-N 1 3 334.420 0.434 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416842482 208692344 /nfs/dbraw/zinc/69/23/44/208692344.db2.gz NIBXKVDSEKQIIN-CYBMUJFWSA-N 1 3 326.466 0.848 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000418877188 208891651 /nfs/dbraw/zinc/89/16/51/208891651.db2.gz NZPOVZRGPCJLRK-KRWDZBQOSA-N 1 3 346.475 0.486 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419164970 209007720 /nfs/dbraw/zinc/00/77/20/209007720.db2.gz ZVGZEDIBGPXATH-CQSZACIVSA-N 1 3 326.485 0.857 20 0 ECADHO [NH3+][C@@H](CNC(=O)C(=O)NCCCN1CCc2ccccc2C1)C1CC1 ZINC000419422165 209091107 /nfs/dbraw/zinc/09/11/07/209091107.db2.gz LZALKVMIGQLYJT-KRWDZBQOSA-N 1 3 344.459 0.405 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000419165876 209009514 /nfs/dbraw/zinc/00/95/14/209009514.db2.gz GTNRCAPLRKQKNZ-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419190214 209018469 /nfs/dbraw/zinc/01/84/69/209018469.db2.gz UZVCYXCNMJEULC-CVEARBPZSA-N 1 3 336.480 0.849 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419190214 209018470 /nfs/dbraw/zinc/01/84/70/209018470.db2.gz UZVCYXCNMJEULC-CVEARBPZSA-N 1 3 336.480 0.849 20 0 ECADHO CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)N(C)CCN)cc2)CC1 ZINC000419199537 209021406 /nfs/dbraw/zinc/02/14/06/209021406.db2.gz ZYEYXDYBHKPBPC-UHFFFAOYSA-N 1 3 346.475 0.952 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419231173 209036305 /nfs/dbraw/zinc/03/63/05/209036305.db2.gz RHSIPZOVKXPMHI-HOCLYGCPSA-N 1 3 332.448 0.349 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000417749327 285320770 /nfs/dbraw/zinc/32/07/70/285320770.db2.gz JLEBTHWYPWLGHI-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)CC(C)C)C[C@H]1C ZINC000419945981 285382963 /nfs/dbraw/zinc/38/29/63/285382963.db2.gz ADVAZHXDPJLKJZ-KFWWJZLASA-N 1 3 326.485 0.807 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)CC(C)C)C[C@H]1C ZINC000419945981 285382965 /nfs/dbraw/zinc/38/29/65/285382965.db2.gz ADVAZHXDPJLKJZ-KFWWJZLASA-N 1 3 326.485 0.807 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000410789060 285382993 /nfs/dbraw/zinc/38/29/93/285382993.db2.gz HBRZIWLRPZUTDU-OAGGEKHMSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000410789060 285382994 /nfs/dbraw/zinc/38/29/94/285382994.db2.gz HBRZIWLRPZUTDU-OAGGEKHMSA-N 1 3 338.496 0.728 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000103212544 296634764 /nfs/dbraw/zinc/63/47/64/296634764.db2.gz WWLCAPYPSAVPLT-UHFFFAOYSA-N 1 3 345.447 0.348 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(-n2cccn2)n1 ZINC000135459467 296678170 /nfs/dbraw/zinc/67/81/70/296678170.db2.gz ACRXPSCIKICECC-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CC[C@@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)N(C)C ZINC000412466723 286737759 /nfs/dbraw/zinc/73/77/59/286737759.db2.gz SRZCELIFHNNJBS-HNNXBMFYSA-N 1 3 326.485 0.239 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246450061 165134912 /nfs/dbraw/zinc/13/49/12/165134912.db2.gz XQWRWBGGXJXUMO-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246450061 165134917 /nfs/dbraw/zinc/13/49/17/165134917.db2.gz XQWRWBGGXJXUMO-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@]1(C[NH3+])CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000261665210 165222699 /nfs/dbraw/zinc/22/26/99/165222699.db2.gz INYZXCWXRKZOCM-QGZVFWFLSA-N 1 3 332.452 0.186 20 0 ECADHO C[C@]1(CN)CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000261665210 165222700 /nfs/dbraw/zinc/22/27/00/165222700.db2.gz INYZXCWXRKZOCM-QGZVFWFLSA-N 1 3 332.452 0.186 20 0 ECADHO C[C@]1(CN)CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000261665210 165222702 /nfs/dbraw/zinc/22/27/02/165222702.db2.gz INYZXCWXRKZOCM-QGZVFWFLSA-N 1 3 332.452 0.186 20 0 ECADHO N[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)C1CCOCC1 ZINC000262043769 165280949 /nfs/dbraw/zinc/28/09/49/165280949.db2.gz QKOQCSQCZYZDSJ-MRXNPFEDSA-N 1 3 339.480 0.892 20 0 ECADHO Cn1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccncc2)n1 ZINC000262133857 165296243 /nfs/dbraw/zinc/29/62/43/165296243.db2.gz OIGXSQFAPGIABZ-QGZVFWFLSA-N 1 3 326.448 0.962 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262245319 165315984 /nfs/dbraw/zinc/31/59/84/165315984.db2.gz LEGRYRJMLKAZSZ-YQQAZPJKSA-N 1 3 335.423 0.734 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262411816 165347209 /nfs/dbraw/zinc/34/72/09/165347209.db2.gz ABSGEHTWFBXGTP-GJZGRUSLSA-N 1 3 335.452 0.648 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000262767749 165385152 /nfs/dbraw/zinc/38/51/52/165385152.db2.gz AWVOZJRWQRFHKI-ZWKOTPCHSA-N 1 3 349.475 0.912 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1CN ZINC000419384316 287324862 /nfs/dbraw/zinc/32/48/62/287324862.db2.gz KDRPQRFSGNCKSN-MOTUXRJWSA-N 1 3 336.480 0.704 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1CN ZINC000419384316 287324865 /nfs/dbraw/zinc/32/48/65/287324865.db2.gz KDRPQRFSGNCKSN-MOTUXRJWSA-N 1 3 336.480 0.704 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000419023018 287343155 /nfs/dbraw/zinc/34/31/55/287343155.db2.gz CXNOKRMOHZMNHX-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000173959907 263149497 /nfs/dbraw/zinc/14/94/97/263149497.db2.gz YWBVVFVVZCDABB-HOTGVXAUSA-N 1 3 337.512 0.653 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000173959907 263149499 /nfs/dbraw/zinc/14/94/99/263149499.db2.gz YWBVVFVVZCDABB-HOTGVXAUSA-N 1 3 337.512 0.653 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC000175794961 263152229 /nfs/dbraw/zinc/15/22/29/263152229.db2.gz XCGDWMGLNUATNI-ZACQAIPSSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC000175794961 263152231 /nfs/dbraw/zinc/15/22/31/263152231.db2.gz XCGDWMGLNUATNI-ZACQAIPSSA-N 1 3 339.528 0.994 20 0 ECADHO CC[N@H+](CCCC1CCN([C@@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC000179598804 263155860 /nfs/dbraw/zinc/15/58/60/263155860.db2.gz IQFLTNUOGMSBIU-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO CC[N@@H+](CCCC1CCN([C@@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC000179598804 263155862 /nfs/dbraw/zinc/15/58/62/263155862.db2.gz IQFLTNUOGMSBIU-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)C/C=C/C(=O)N1CC[C@@](C)(CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000282355142 264036583 /nfs/dbraw/zinc/03/65/83/264036583.db2.gz PMCZLUPFJNDLSF-KFTALVSSSA-N 1 3 336.480 0.577 20 0 ECADHO CN(C)C/C=C/C(=O)NC[C@]1(C)CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000282355142 264036586 /nfs/dbraw/zinc/03/65/86/264036586.db2.gz PMCZLUPFJNDLSF-KFTALVSSSA-N 1 3 336.480 0.577 20 0 ECADHO CC(C(=O)NCc1ccncc1OCCC[NH+](C)C)S(C)(=O)=O ZINC000288795293 264542640 /nfs/dbraw/zinc/54/26/40/264542640.db2.gz YEZYXXQNIHRTOM-GFCCVEGCSA-N 1 3 343.449 0.461 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418950069 276106679 /nfs/dbraw/zinc/10/66/79/276106679.db2.gz SEWNUIJTZVPIQI-GOEBONIOSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410810866 276247547 /nfs/dbraw/zinc/24/75/47/276247547.db2.gz UZKNRFVIUNZCKE-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410810866 276247548 /nfs/dbraw/zinc/24/75/48/276247548.db2.gz UZKNRFVIUNZCKE-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000419202245 276763150 /nfs/dbraw/zinc/76/31/50/276763150.db2.gz GRLPBKJVUOALKJ-OAHLLOKOSA-N 1 3 348.447 0.111 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419126641 278254689 /nfs/dbraw/zinc/25/46/89/278254689.db2.gz XPKUSOSGFMZUFD-MAUKXSAKSA-N 1 3 336.480 0.579 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000410806232 279177468 /nfs/dbraw/zinc/17/74/68/279177468.db2.gz CZMNQDTYVUMSIV-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)C(=O)NCCN(C)C ZINC000418598823 279186228 /nfs/dbraw/zinc/18/62/28/279186228.db2.gz QSZKYBHXFSGASK-ZNMIVQPWSA-N 1 3 341.500 0.376 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@H](C)[C@@H]2C)CC1=O ZINC000262851501 279305154 /nfs/dbraw/zinc/30/51/54/279305154.db2.gz ZQPYTKNPSAKKOF-QKPAOTATSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@H](C)[C@@H]2C)CC1=O ZINC000262851501 279305156 /nfs/dbraw/zinc/30/51/56/279305156.db2.gz ZQPYTKNPSAKKOF-QKPAOTATSA-N 1 3 336.480 0.528 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000340212460 437603563 /nfs/dbraw/zinc/60/35/63/437603563.db2.gz PDVPTRYEWJTEPN-HOTGVXAUSA-N 1 3 338.496 0.633 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000340212460 437603567 /nfs/dbraw/zinc/60/35/67/437603567.db2.gz PDVPTRYEWJTEPN-HOTGVXAUSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419076228 280247994 /nfs/dbraw/zinc/24/79/94/280247994.db2.gz GZARAUNIPGDMKN-ARFHVFGLSA-N 1 3 338.496 0.953 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000419904643 281215542 /nfs/dbraw/zinc/21/55/42/281215542.db2.gz YAJQKONICQMYPR-QGZVFWFLSA-N 1 3 346.475 0.753 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000418754153 290245191 /nfs/dbraw/zinc/24/51/91/290245191.db2.gz ASJSQNBCQUIOAH-HRWDSRQLSA-N 1 3 336.480 0.506 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC1 ZINC000332616390 297058946 /nfs/dbraw/zinc/05/89/46/297058946.db2.gz SJPXETVVOYSCGJ-ZBFHGGJFSA-N 1 3 336.480 0.671 20 0 ECADHO CN1CC=C(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000332810512 297077464 /nfs/dbraw/zinc/07/74/64/297077464.db2.gz OSJJTMNBYADKOH-DLBZAZTESA-N 1 3 336.480 0.925 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCN1C ZINC000343672544 437621890 /nfs/dbraw/zinc/62/18/90/437621890.db2.gz MCYJTNAQPCIJHX-GDBMZVCRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCN1C ZINC000343672544 437621895 /nfs/dbraw/zinc/62/18/95/437621895.db2.gz MCYJTNAQPCIJHX-GDBMZVCRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCN1C ZINC000343672553 437622105 /nfs/dbraw/zinc/62/21/05/437622105.db2.gz MCYJTNAQPCIJHX-ZBFHGGJFSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCN1C ZINC000343672553 437622110 /nfs/dbraw/zinc/62/21/10/437622110.db2.gz MCYJTNAQPCIJHX-ZBFHGGJFSA-N 1 3 338.496 0.918 20 0 ECADHO [NH3+]CC[C@H](NC(=O)NC[C@H]1CCCCN1CCO)C(F)(F)F ZINC000416044132 295238722 /nfs/dbraw/zinc/23/87/22/295238722.db2.gz LTZYUPJQYHHANZ-MNOVXSKESA-N 1 3 326.363 0.412 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419694527 295246810 /nfs/dbraw/zinc/24/68/10/295246810.db2.gz KOZVSZXATKYJGJ-DZKIICNBSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419190216 295269275 /nfs/dbraw/zinc/26/92/75/295269275.db2.gz UZVCYXCNMJEULC-HZPDHXFCSA-N 1 3 336.480 0.849 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419190216 295269277 /nfs/dbraw/zinc/26/92/77/295269277.db2.gz UZVCYXCNMJEULC-HZPDHXFCSA-N 1 3 336.480 0.849 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)CN1CCN(C)CC1 ZINC000332925965 297089313 /nfs/dbraw/zinc/08/93/13/297089313.db2.gz QMBHXONWCUFAII-IKGGRYGDSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)CN1CCN(C)CC1 ZINC000332925965 297089314 /nfs/dbraw/zinc/08/93/14/297089314.db2.gz QMBHXONWCUFAII-IKGGRYGDSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H]1CN(C(=O)Nc2cnc(N3CCNCC3)nc2)C[C@H]1[NH+](C)C ZINC000333324899 297124610 /nfs/dbraw/zinc/12/46/10/297124610.db2.gz NLQILPBWEJLUGP-GXTWGEPZSA-N 1 3 333.440 0.300 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000333363260 297127925 /nfs/dbraw/zinc/12/79/25/297127925.db2.gz TXJLYPAAWOVMNL-UHFFFAOYSA-N 1 3 347.467 0.881 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C[C@H]2N)cn1 ZINC000333624969 297145342 /nfs/dbraw/zinc/14/53/42/297145342.db2.gz UWGLQDWHCNSLPU-DARAHFNDSA-N 1 3 334.468 0.621 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)C[C@@H]21 ZINC000333638360 297146186 /nfs/dbraw/zinc/14/61/86/297146186.db2.gz HTXCQQLUTQDVPN-AGIUHOORSA-N 1 3 349.401 0.168 20 0 ECADHO O=S(=O)([C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000333654682 297146764 /nfs/dbraw/zinc/14/67/64/297146764.db2.gz KKJVHTNBCCFFRG-GJZGRUSLSA-N 1 3 331.482 0.112 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000339576614 297360974 /nfs/dbraw/zinc/36/09/74/297360974.db2.gz RHWCATNWVFSOLT-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000339579705 297361377 /nfs/dbraw/zinc/36/13/77/297361377.db2.gz FBPXNKMHNCUPTK-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000339578256 297361655 /nfs/dbraw/zinc/36/16/55/297361655.db2.gz ZATXHQRBWRTQNO-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)C(C)C ZINC000339615510 297364812 /nfs/dbraw/zinc/36/48/12/297364812.db2.gz SNIVROQKDMIVCB-OAHLLOKOSA-N 1 3 338.496 0.988 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000339645343 297368266 /nfs/dbraw/zinc/36/82/66/297368266.db2.gz SNELKTZYAWLBAQ-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](NC(=O)C(=O)NC1CCN(C2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000339953417 297411705 /nfs/dbraw/zinc/41/17/05/297411705.db2.gz QAIZVDXFQRAQBH-ZDUSSCGKSA-N 1 3 338.496 0.822 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1COCCN1C ZINC000344630848 298047150 /nfs/dbraw/zinc/04/71/50/298047150.db2.gz YLYXOJGRZPKYBY-HZPDHXFCSA-N 1 3 326.485 0.192 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1COCCN1C ZINC000344630848 298047151 /nfs/dbraw/zinc/04/71/51/298047151.db2.gz YLYXOJGRZPKYBY-HZPDHXFCSA-N 1 3 326.485 0.192 20 0 ECADHO C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000345186010 298127364 /nfs/dbraw/zinc/12/73/64/298127364.db2.gz JOFVVODYHKPZLL-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000347061220 298395916 /nfs/dbraw/zinc/39/59/16/298395916.db2.gz DSBAKLPRRDZKQE-AWEZNQCLSA-N 1 3 328.457 0.117 20 0 ECADHO CCc1ccc([C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000351554485 298785670 /nfs/dbraw/zinc/78/56/70/298785670.db2.gz IPWQMAIWLFUZOH-IAGOWNOFSA-N 1 3 346.475 0.836 20 0 ECADHO CO[C@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000353453841 299050413 /nfs/dbraw/zinc/05/04/13/299050413.db2.gz SJUNXPYVPOTOOU-JKSUJKDBSA-N 1 3 348.447 0.765 20 0 ECADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCOCC1 ZINC000362966738 300237428 /nfs/dbraw/zinc/23/74/28/300237428.db2.gz HXDMZDZUDSKEEM-LSDHHAIUSA-N 1 3 340.468 0.260 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000363257974 300257255 /nfs/dbraw/zinc/25/72/55/300257255.db2.gz CCALGAXDTSGURF-BZSNNMDCSA-N 1 3 334.508 0.957 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000363257974 300257259 /nfs/dbraw/zinc/25/72/59/300257259.db2.gz CCALGAXDTSGURF-BZSNNMDCSA-N 1 3 334.508 0.957 20 0 ECADHO O=C(C[C@@H]1CCC[NH2+]CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000364470342 300360588 /nfs/dbraw/zinc/36/05/88/300360588.db2.gz WOFLRWHKLZJIFU-MRXNPFEDSA-N 1 3 336.480 0.533 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364641603 300374584 /nfs/dbraw/zinc/37/45/84/300374584.db2.gz NKFINRPTYOAUHQ-UHFFFAOYSA-N 1 3 330.473 0.053 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364641603 300374586 /nfs/dbraw/zinc/37/45/86/300374586.db2.gz NKFINRPTYOAUHQ-UHFFFAOYSA-N 1 3 330.473 0.053 20 0 ECADHO CCCN1CCN(C2CC[NH+](CCC(=O)NC(=O)NC)CC2)CC1 ZINC000369155146 300711752 /nfs/dbraw/zinc/71/17/52/300711752.db2.gz KGICNLHTDLFFNS-UHFFFAOYSA-N 1 3 339.484 0.324 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1=O ZINC000073474266 436079036 /nfs/dbraw/zinc/07/90/36/436079036.db2.gz ZERKKOZZJMLZKK-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000074655443 436131237 /nfs/dbraw/zinc/13/12/37/436131237.db2.gz WRYQQWVDUNZIES-DLBZAZTESA-N 1 3 339.528 0.853 20 0 ECADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000074655443 436131243 /nfs/dbraw/zinc/13/12/43/436131243.db2.gz WRYQQWVDUNZIES-DLBZAZTESA-N 1 3 339.528 0.853 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000074659976 436137982 /nfs/dbraw/zinc/13/79/82/436137982.db2.gz YFPHKBXPMFOYGD-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C[C@H](O)CN2CCOCC2)CC1 ZINC000075007729 436147134 /nfs/dbraw/zinc/14/71/34/436147134.db2.gz RSRYYSMKCWYESL-KRWDZBQOSA-N 1 3 343.512 0.502 20 0 ECADHO CN1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345366 436123460 /nfs/dbraw/zinc/12/34/60/436123460.db2.gz GECJZLDXFBSUCJ-GJZGRUSLSA-N 1 3 339.484 0.215 20 0 ECADHO CN1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345366 436123465 /nfs/dbraw/zinc/12/34/65/436123465.db2.gz GECJZLDXFBSUCJ-GJZGRUSLSA-N 1 3 339.484 0.215 20 0 ECADHO Cc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000373041282 301041766 /nfs/dbraw/zinc/04/17/66/301041766.db2.gz ZKXHZQXRTGWUFL-IAQYHMDHSA-N 1 3 332.452 0.724 20 0 ECADHO CN(CCC(=O)N1CCOCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373164700 301051030 /nfs/dbraw/zinc/05/10/30/301051030.db2.gz DCVZFBHVFKEOCD-KRWDZBQOSA-N 1 3 338.496 0.336 20 0 ECADHO CN(CCC(=O)N1CCOCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373164700 301051032 /nfs/dbraw/zinc/05/10/32/301051032.db2.gz DCVZFBHVFKEOCD-KRWDZBQOSA-N 1 3 338.496 0.336 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC000075178742 436156703 /nfs/dbraw/zinc/15/67/03/436156703.db2.gz OHGMLVYPJBOYPM-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@@H](C)C1 ZINC000075178742 436156712 /nfs/dbraw/zinc/15/67/12/436156712.db2.gz OHGMLVYPJBOYPM-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+]C2(CN(C)C)CCC2)C1 ZINC000377388289 301345992 /nfs/dbraw/zinc/34/59/92/301345992.db2.gz DLTCOLMXICHTLH-INIZCTEOSA-N 1 3 340.512 0.533 20 0 ECADHO COC(=O)CC[C@@H]([NH3+])C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000377563552 301359529 /nfs/dbraw/zinc/35/95/29/301359529.db2.gz NUBZAQWHENOEOS-CYBMUJFWSA-N 1 3 343.493 0.745 20 0 ECADHO CN1CCN(CCCCNC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000077593627 436243005 /nfs/dbraw/zinc/24/30/05/436243005.db2.gz ASLPSPCKAKPIOM-UHFFFAOYSA-N 1 3 325.501 0.655 20 0 ECADHO C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000077774330 436252908 /nfs/dbraw/zinc/25/29/08/436252908.db2.gz NNFNHYVXWUUPJA-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000077774330 436252913 /nfs/dbraw/zinc/25/29/13/436252913.db2.gz NNFNHYVXWUUPJA-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000077777091 436253173 /nfs/dbraw/zinc/25/31/73/436253173.db2.gz IERCJCAQZLMASU-OAHLLOKOSA-N 1 3 336.484 0.932 20 0 ECADHO CCOC(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000492870040 301511923 /nfs/dbraw/zinc/51/19/23/301511923.db2.gz YLVGPPQJBJZAQB-OAHLLOKOSA-N 1 3 342.484 0.807 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081680038 436355300 /nfs/dbraw/zinc/35/53/00/436355300.db2.gz FHGVAVDEPUAVQX-IRXDYDNUSA-N 1 3 348.491 0.627 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081680038 436355302 /nfs/dbraw/zinc/35/53/02/436355302.db2.gz FHGVAVDEPUAVQX-IRXDYDNUSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1O ZINC000091726568 436458852 /nfs/dbraw/zinc/45/88/52/436458852.db2.gz PMEYJWIOQLDITM-WMLDXEAASA-N 1 3 338.496 0.957 20 0 ECADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(=O)N(C)C ZINC000051760434 436496199 /nfs/dbraw/zinc/49/61/99/436496199.db2.gz ZPAKSEDXVSCPEE-ZDUSSCGKSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCCN1CCN(C)CC1 ZINC000531011642 302038299 /nfs/dbraw/zinc/03/82/99/302038299.db2.gz ZGJZRRZTMICPHT-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCCN1CCN(C)CC1 ZINC000531011642 302038301 /nfs/dbraw/zinc/03/83/01/302038301.db2.gz ZGJZRRZTMICPHT-IAGOWNOFSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H](NC(=O)CC(C)(C)C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000547990532 302279632 /nfs/dbraw/zinc/27/96/32/302279632.db2.gz NPTKMRNBIWZWEW-AWEZNQCLSA-N 1 3 328.501 0.879 20 0 ECADHO CCO[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1OC ZINC000548523927 302306567 /nfs/dbraw/zinc/30/65/67/302306567.db2.gz LEVWVAOLUUMNPZ-KFWWJZLASA-N 1 3 330.473 0.314 20 0 ECADHO CCN1CCN(CCCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000121887615 436727276 /nfs/dbraw/zinc/72/72/76/436727276.db2.gz COWUWGZJVVBFMU-QGZVFWFLSA-N 1 3 343.516 0.016 20 0 ECADHO CC[C@H](C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)N(C)C ZINC000125143835 436763071 /nfs/dbraw/zinc/76/30/71/436763071.db2.gz PVGBCVOMDAWBNQ-MRXNPFEDSA-N 1 3 334.464 0.934 20 0 ECADHO CC(C)n1nccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130545711 436838589 /nfs/dbraw/zinc/83/85/89/436838589.db2.gz FIXCSQRMRHPTAB-UHFFFAOYSA-N 1 3 338.456 0.354 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000261604036 436879813 /nfs/dbraw/zinc/87/98/13/436879813.db2.gz CGBNGEZZSLNXNS-HOCLYGCPSA-N 1 3 330.432 0.727 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CCSC)CC1 ZINC000167407030 436940043 /nfs/dbraw/zinc/94/00/43/436940043.db2.gz MKFIDWYSPYEMEG-CYBMUJFWSA-N 1 3 330.498 0.079 20 0 ECADHO COCCNCC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000168099841 436940997 /nfs/dbraw/zinc/94/09/97/436940997.db2.gz DLQPUCNEAVPAIU-SFHVURJKSA-N 1 3 349.475 0.784 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000331522407 437112045 /nfs/dbraw/zinc/11/20/45/437112045.db2.gz FDQXJCUAVHTQPZ-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000331522407 437112050 /nfs/dbraw/zinc/11/20/50/437112050.db2.gz FDQXJCUAVHTQPZ-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@H]1N(C)C ZINC000331771570 437158640 /nfs/dbraw/zinc/15/86/40/437158640.db2.gz QEXHHUJNVMEMGP-LVQVYYBASA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000331569105 437123234 /nfs/dbraw/zinc/12/32/34/437123234.db2.gz VBERDIKOECXWNS-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000331569105 437123237 /nfs/dbraw/zinc/12/32/37/437123237.db2.gz VBERDIKOECXWNS-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000331674353 437140400 /nfs/dbraw/zinc/14/04/00/437140400.db2.gz SGZCSDMUMBNXPC-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCNC[C@](C)(F)C2)CC1 ZINC000333391482 437269190 /nfs/dbraw/zinc/26/91/90/437269190.db2.gz OWFCGTSBQRHZAK-WBVHZDCISA-N 1 3 343.491 0.603 20 0 ECADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332640376 437239277 /nfs/dbraw/zinc/23/92/77/437239277.db2.gz HKUADWYTFCKVON-CVEARBPZSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333726797 437283495 /nfs/dbraw/zinc/28/34/95/437283495.db2.gz HEHJLVZYPTVQII-BRWVUGGUSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCCCN1CCOCC1 ZINC000184065714 437396696 /nfs/dbraw/zinc/39/66/96/437396696.db2.gz KXMZNJALDRKKMG-QGZVFWFLSA-N 1 3 340.512 0.631 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186303720 437470248 /nfs/dbraw/zinc/47/02/48/437470248.db2.gz IMRZRZINVPHFLC-INIZCTEOSA-N 1 3 327.517 0.853 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000339582187 437474151 /nfs/dbraw/zinc/47/41/51/437474151.db2.gz PFABUTSSOVZVEA-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000339582187 437474155 /nfs/dbraw/zinc/47/41/55/437474155.db2.gz PFABUTSSOVZVEA-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339651270 437482516 /nfs/dbraw/zinc/48/25/16/437482516.db2.gz KHKNADZDHJJJRP-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H](C)CC(=O)N1 ZINC000339656003 437484965 /nfs/dbraw/zinc/48/49/65/437484965.db2.gz ZBCJZNIFOBQPIU-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H](C)CC(=O)N1 ZINC000339656003 437484968 /nfs/dbraw/zinc/48/49/68/437484968.db2.gz ZBCJZNIFOBQPIU-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000290061257 437460776 /nfs/dbraw/zinc/46/07/76/437460776.db2.gz USBATRFKEPWIPI-SJORKVTESA-N 1 3 346.475 0.982 20 0 ECADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000290061248 437461792 /nfs/dbraw/zinc/46/17/92/437461792.db2.gz USBATRFKEPWIPI-DLBZAZTESA-N 1 3 346.475 0.982 20 0 ECADHO C[NH+](C)C1(CNC(=O)[C@@H]2CN3CCN2CCC3)Cc2ccccc2C1 ZINC000343275739 437542488 /nfs/dbraw/zinc/54/24/88/437542488.db2.gz LWBUIVBBODQQOX-SFHVURJKSA-N 1 3 342.487 0.592 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1(N)C[C@H](OCC)C1(C)C ZINC000188254073 437537802 /nfs/dbraw/zinc/53/78/02/437537802.db2.gz ADGDSZPLVYLYBO-JKIFEVAISA-N 1 3 329.485 0.992 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000339670928 437491955 /nfs/dbraw/zinc/49/19/55/437491955.db2.gz NFVVMLNDZAVTOT-ZDUSSCGKSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340445118 437646525 /nfs/dbraw/zinc/64/65/25/437646525.db2.gz KKIMLJCFMZWDRY-MRXNPFEDSA-N 1 3 344.525 0.340 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000344010091 437717231 /nfs/dbraw/zinc/71/72/31/437717231.db2.gz KYKCBMYHTKZBIE-SJORKVTESA-N 1 3 338.496 0.336 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000356501858 437772843 /nfs/dbraw/zinc/77/28/43/437772843.db2.gz GQPMFDAVLAIQOD-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356501858 437772848 /nfs/dbraw/zinc/77/28/48/437772848.db2.gz GQPMFDAVLAIQOD-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340787437 437732782 /nfs/dbraw/zinc/73/27/82/437732782.db2.gz AFRMLIIBVGDYGL-BBWFWOEESA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340787437 437732785 /nfs/dbraw/zinc/73/27/85/437732785.db2.gz AFRMLIIBVGDYGL-BBWFWOEESA-N 1 3 348.491 0.816 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1=CCN(C)CC1 ZINC000340796055 437737441 /nfs/dbraw/zinc/73/74/41/437737441.db2.gz JWULYYKCLBLJCK-IMJJTQAJSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1=CCN(C)CC1 ZINC000340796055 437737444 /nfs/dbraw/zinc/73/74/44/437737444.db2.gz JWULYYKCLBLJCK-IMJJTQAJSA-N 1 3 334.464 0.496 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362526474 437742339 /nfs/dbraw/zinc/74/23/39/437742339.db2.gz ROFFYOABQUTTJX-HIFRSBDPSA-N 1 3 325.453 0.575 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362526474 437742341 /nfs/dbraw/zinc/74/23/41/437742341.db2.gz ROFFYOABQUTTJX-HIFRSBDPSA-N 1 3 325.453 0.575 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340832580 437748857 /nfs/dbraw/zinc/74/88/57/437748857.db2.gz VHCAXTAUWGCRRV-PVAVHDDUSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340832580 437748859 /nfs/dbraw/zinc/74/88/59/437748859.db2.gz VHCAXTAUWGCRRV-PVAVHDDUSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H]1CN ZINC000423728550 437816594 /nfs/dbraw/zinc/81/65/94/437816594.db2.gz JVFJWQOSHFWRGE-GOEBONIOSA-N 1 3 336.480 0.659 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@H](C)CC[NH3+])ccc1OCCN(C)C ZINC000415554617 437819321 /nfs/dbraw/zinc/81/93/21/437819321.db2.gz PTWHFLMRXGNQGW-CYBMUJFWSA-N 1 3 336.436 0.727 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423759882 437826211 /nfs/dbraw/zinc/82/62/11/437826211.db2.gz PTVDHYYXXFLWJB-UKRRQHHQSA-N 1 3 325.453 0.766 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)ccc1OCCN(C)C ZINC000415314199 437780399 /nfs/dbraw/zinc/78/03/99/437780399.db2.gz JEZIPWBTZVKANU-HNNXBMFYSA-N 1 3 348.447 0.742 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000356532749 437782359 /nfs/dbraw/zinc/78/23/59/437782359.db2.gz SWTMKZNAEIJBQL-OWCLPIDISA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000356532749 437782363 /nfs/dbraw/zinc/78/23/63/437782363.db2.gz SWTMKZNAEIJBQL-OWCLPIDISA-N 1 3 338.496 0.822 20 0 ECADHO CCCN(C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423641530 437787522 /nfs/dbraw/zinc/78/75/22/437787522.db2.gz AVJYSNDKKKFYBM-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CN(CCN(C)C(=O)CCCN2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000423767861 437829112 /nfs/dbraw/zinc/82/91/12/437829112.db2.gz XLWRDABXXJECBH-IYBDPMFKSA-N 1 3 340.512 0.757 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000341154151 437804026 /nfs/dbraw/zinc/80/40/26/437804026.db2.gz DKMDOVBHASQYFV-HZPDHXFCSA-N 1 3 349.479 0.230 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000341154151 437804029 /nfs/dbraw/zinc/80/40/29/437804029.db2.gz DKMDOVBHASQYFV-HZPDHXFCSA-N 1 3 349.479 0.230 20 0 ECADHO O=C(C[C@@H]1CNCCO1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000370588480 437808358 /nfs/dbraw/zinc/80/83/58/437808358.db2.gz KNQVLPMTCAYCJM-UONOGXRCSA-N 1 3 347.415 0.912 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423775139 437830653 /nfs/dbraw/zinc/83/06/53/437830653.db2.gz LYMSLWJHUBODDX-HOCLYGCPSA-N 1 3 342.447 0.877 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415613310 437832364 /nfs/dbraw/zinc/83/23/64/437832364.db2.gz LYZMRSDPQHADFB-CJNGLKHVSA-N 1 3 348.447 0.680 20 0 ECADHO CN(C)CC[NH+]1CCC(CNC(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000370763490 437833748 /nfs/dbraw/zinc/83/37/48/437833748.db2.gz LYJMJONQSOMZCF-UHFFFAOYSA-N 1 3 344.503 0.873 20 0 ECADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000424334233 437922294 /nfs/dbraw/zinc/92/22/94/437922294.db2.gz NKCLHMMQPVBPPN-ZIAGYGMSSA-N 1 3 334.420 0.424 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000371269611 437909057 /nfs/dbraw/zinc/90/90/57/437909057.db2.gz BDYORPMITMUFEI-INIZCTEOSA-N 1 3 348.495 0.629 20 0 ECADHO C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCN(C)C1CC1)CC[NH2+]CC2 ZINC000424493122 437957151 /nfs/dbraw/zinc/95/71/51/437957151.db2.gz JSPJCVIAQOASCX-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424518756 437965548 /nfs/dbraw/zinc/96/55/48/437965548.db2.gz IQYRGPPRQHKDGO-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000341999185 437936640 /nfs/dbraw/zinc/93/66/40/437936640.db2.gz AAZXNTSZSRFMMT-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000341999185 437936642 /nfs/dbraw/zinc/93/66/42/437936642.db2.gz AAZXNTSZSRFMMT-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417375936 438045423 /nfs/dbraw/zinc/04/54/23/438045423.db2.gz BIFHYYSHAROVSB-OAHLLOKOSA-N 1 3 334.468 0.582 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348014427 437998401 /nfs/dbraw/zinc/99/84/01/437998401.db2.gz MSDTWGBSLNGJFS-OAGGEKHMSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348014427 437998405 /nfs/dbraw/zinc/99/84/05/437998405.db2.gz MSDTWGBSLNGJFS-OAGGEKHMSA-N 1 3 338.496 0.966 20 0 ECADHO CN(CCNC(=O)[C@H]1CCCN1C1CC1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427495122 438080654 /nfs/dbraw/zinc/08/06/54/438080654.db2.gz BEISGWUENCSCDL-IAGOWNOFSA-N 1 3 348.491 0.815 20 0 ECADHO CN(CCNC(=O)[C@H]1CCCN1C1CC1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000427495122 438080658 /nfs/dbraw/zinc/08/06/58/438080658.db2.gz BEISGWUENCSCDL-IAGOWNOFSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(CC[NH3+])CCO ZINC000417837128 438082725 /nfs/dbraw/zinc/08/27/25/438082725.db2.gz XJERERUBDGEYAE-DOTOQJQBSA-N 1 3 334.464 0.860 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)ccn1 ZINC000417961228 438093790 /nfs/dbraw/zinc/09/37/90/438093790.db2.gz YBTIEXQQUBYQLD-LBPRGKRZSA-N 1 3 345.394 0.804 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@H](CC[NH3+])C(F)F)ccn1 ZINC000417961221 438093940 /nfs/dbraw/zinc/09/39/40/438093940.db2.gz YBTIEXQQUBYQLD-GFCCVEGCSA-N 1 3 345.394 0.804 20 0 ECADHO COC(=O)CC[C@@H]([NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000342698463 438052299 /nfs/dbraw/zinc/05/22/99/438052299.db2.gz UBEIIYYKOODWOL-HZSPNIEDSA-N 1 3 329.441 0.273 20 0 ECADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417450212 438052384 /nfs/dbraw/zinc/05/23/84/438052384.db2.gz BGQZWPBHBKXBNY-OLZOCXBDSA-N 1 3 335.452 0.513 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000417456392 438052570 /nfs/dbraw/zinc/05/25/70/438052570.db2.gz BQJQKIYLFSYKQC-MRXNPFEDSA-N 1 3 347.463 0.529 20 0 ECADHO C[C@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N(C)C1CC1 ZINC000417549875 438059175 /nfs/dbraw/zinc/05/91/75/438059175.db2.gz KDUUGGKPXYPBGU-UKRRQHHQSA-N 1 3 339.484 0.498 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426491673 438063412 /nfs/dbraw/zinc/06/34/12/438063412.db2.gz IYVFERCNJHIGGY-INIZCTEOSA-N 1 3 334.464 0.380 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426491673 438063414 /nfs/dbraw/zinc/06/34/14/438063414.db2.gz IYVFERCNJHIGGY-INIZCTEOSA-N 1 3 334.464 0.380 20 0 ECADHO CCNC(=O)NC(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369440 438078687 /nfs/dbraw/zinc/07/86/87/438078687.db2.gz YQFZFHLGLHMVHB-HIFRSBDPSA-N 1 3 339.484 0.321 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000430780963 438121604 /nfs/dbraw/zinc/12/16/04/438121604.db2.gz QOBXCUHNGJLLKU-HZPDHXFCSA-N 1 3 327.469 0.714 20 0 ECADHO COc1ccc([C@@H](CNC(=O)COC2C[NH2+]C2)N2CCCC2)cc1 ZINC000430851557 438127422 /nfs/dbraw/zinc/12/74/22/438127422.db2.gz PFFRBFBFJNWQQY-QGZVFWFLSA-N 1 3 333.432 0.937 20 0 ECADHO CC[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418324397 438132459 /nfs/dbraw/zinc/13/24/59/438132459.db2.gz GXWSTZODPAFBCJ-DLBZAZTESA-N 1 3 334.464 0.778 20 0 ECADHO CC(C)C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)C(=O)NCCN(C)C ZINC000418350233 438134364 /nfs/dbraw/zinc/13/43/64/438134364.db2.gz YHBXYLBOPKSHLM-CABCVRRESA-N 1 3 341.500 0.378 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418377357 438139288 /nfs/dbraw/zinc/13/92/88/438139288.db2.gz ZEOPCJRBMGAUAT-MAUKXSAKSA-N 1 3 334.464 0.778 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418405200 438141557 /nfs/dbraw/zinc/14/15/57/438141557.db2.gz DFHMDFINJBCONK-CVEARBPZSA-N 1 3 325.501 0.783 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418423642 438142053 /nfs/dbraw/zinc/14/20/53/438142053.db2.gz JNTLLUPXQYSSFR-OAGGEKHMSA-N 1 3 325.501 0.829 20 0 ECADHO C[N@@H+]1CC[C@@](O)(CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000358077498 438144375 /nfs/dbraw/zinc/14/43/75/438144375.db2.gz XEZWWRRZHLMNOF-LJQANCHMSA-N 1 3 346.475 0.382 20 0 ECADHO C[N@H+]1CC[C@@](O)(CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000358077498 438144380 /nfs/dbraw/zinc/14/43/80/438144380.db2.gz XEZWWRRZHLMNOF-LJQANCHMSA-N 1 3 346.475 0.382 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418469160 438149361 /nfs/dbraw/zinc/14/93/61/438149361.db2.gz JWPRCBNVXYQFJM-MAUKXSAKSA-N 1 3 334.464 0.860 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418744556 438180008 /nfs/dbraw/zinc/18/00/08/438180008.db2.gz ULDYVKVRJKMISG-ARFHVFGLSA-N 1 3 326.485 0.896 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418775137 438187218 /nfs/dbraw/zinc/18/72/18/438187218.db2.gz WBWNPPMDYQBRNL-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3CC=CCC3)C2)CC1 ZINC000373497836 438152860 /nfs/dbraw/zinc/15/28/60/438152860.db2.gz VXPPLVUQFLVINQ-INIZCTEOSA-N 1 3 335.496 0.716 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCCN3CC=CCC3)C2)CC1 ZINC000373497836 438152865 /nfs/dbraw/zinc/15/28/65/438152865.db2.gz VXPPLVUQFLVINQ-INIZCTEOSA-N 1 3 335.496 0.716 20 0 ECADHO C[NH+]1CCC(N2CC[C@H](NC(=O)NCCN3CC=CCC3)C2)CC1 ZINC000373497836 438152869 /nfs/dbraw/zinc/15/28/69/438152869.db2.gz VXPPLVUQFLVINQ-INIZCTEOSA-N 1 3 335.496 0.716 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418584845 438162832 /nfs/dbraw/zinc/16/28/32/438162832.db2.gz CNVWOCTXNSXHSN-CVEARBPZSA-N 1 3 326.485 0.896 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418593408 438164668 /nfs/dbraw/zinc/16/46/68/438164668.db2.gz RPQVQPNYQRXGAX-CABCVRRESA-N 1 3 325.501 0.794 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)C(=O)NCCN(C)C ZINC000418599347 438164772 /nfs/dbraw/zinc/16/47/72/438164772.db2.gz JKKRLHRUAYUECF-ZNMIVQPWSA-N 1 3 341.500 0.519 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418607199 438165808 /nfs/dbraw/zinc/16/58/08/438165808.db2.gz CNJLJWXVJPPXFC-HUUCEWRRSA-N 1 3 326.485 0.911 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000418850045 438217164 /nfs/dbraw/zinc/21/71/64/438217164.db2.gz NMFJWNFALVYSKO-ULQDDVLXSA-N 1 3 346.475 0.662 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000418863158 438224121 /nfs/dbraw/zinc/22/41/21/438224121.db2.gz IRINTMYFNMHPLW-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433158879 438227309 /nfs/dbraw/zinc/22/73/09/438227309.db2.gz KVDRKXXSPFMROP-MRXNPFEDSA-N 1 3 339.528 0.332 20 0 ECADHO CC[C@@H]1CN(C(=O)CCCN2CCC([NH3+])CC2)CCN1C[C@@H](C)O ZINC000433138189 438228244 /nfs/dbraw/zinc/22/82/44/438228244.db2.gz RIPYJDIHTROBLR-NVXWUHKLSA-N 1 3 340.512 0.493 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000418870883 438228620 /nfs/dbraw/zinc/22/86/20/438228620.db2.gz URLLXMLGQXAZIR-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO [NH3+]C1CCN(CCCC(=O)NCCCCN2CCOCC2)CC1 ZINC000433168587 438230483 /nfs/dbraw/zinc/23/04/83/438230483.db2.gz NSKNINIBIOFGML-UHFFFAOYSA-N 1 3 326.485 0.418 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418877928 438233209 /nfs/dbraw/zinc/23/32/09/438233209.db2.gz PZKUCMKKBOLWRP-CVEARBPZSA-N 1 3 332.448 0.144 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418881828 438234912 /nfs/dbraw/zinc/23/49/12/438234912.db2.gz XZECUYBPRLYWNK-DLBZAZTESA-N 1 3 346.475 0.534 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000418832302 438204854 /nfs/dbraw/zinc/20/48/54/438204854.db2.gz JWODFDJZJNULHJ-TZMCWYRMSA-N 1 3 340.468 0.205 20 0 ECADHO O[C@@H]1c2ccccc2C[C@H]1N1CCN(CCN2CCCOCC2)CC1 ZINC000367459829 438209756 /nfs/dbraw/zinc/20/97/56/438209756.db2.gz WMVNKGROKXZOCJ-WOJBJXKFSA-N 1 3 345.487 0.985 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N(C)Cc1ccccc1 ZINC000418956299 438264987 /nfs/dbraw/zinc/26/49/87/438264987.db2.gz YZTKJSQEIHBLMA-XJKSGUPXSA-N 1 3 332.448 0.477 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000358656993 438273727 /nfs/dbraw/zinc/27/37/27/438273727.db2.gz DEIGAFZRVVTZBA-GOSISDBHSA-N 1 3 334.464 0.874 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000358656993 438273729 /nfs/dbraw/zinc/27/37/29/438273729.db2.gz DEIGAFZRVVTZBA-GOSISDBHSA-N 1 3 334.464 0.874 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCCN1CCc2ccccc2C1 ZINC000351536948 438282257 /nfs/dbraw/zinc/28/22/57/438282257.db2.gz HHUDRMWIBHUPSN-KRWDZBQOSA-N 1 3 344.459 0.419 20 0 ECADHO CN(CCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000419008889 438282989 /nfs/dbraw/zinc/28/29/89/438282989.db2.gz WFVSFLPBRAJJDO-KRWDZBQOSA-N 1 3 346.475 0.741 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419019395 438288809 /nfs/dbraw/zinc/28/88/09/438288809.db2.gz DISQZZDTNIOUSL-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000351555944 438289108 /nfs/dbraw/zinc/28/91/08/438289108.db2.gz GBRFKDBTSJXSFX-GDBMZVCRSA-N 1 3 332.448 0.491 20 0 ECADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000376832010 438293946 /nfs/dbraw/zinc/29/39/46/438293946.db2.gz UFOSVPKSXLZMCB-GJZGRUSLSA-N 1 3 334.468 1.535 20 0 ECADHO [NH3+]CCCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419029667 438295763 /nfs/dbraw/zinc/29/57/63/438295763.db2.gz GGXYSAKUFDGBRR-UHFFFAOYSA-N 1 3 342.509 0.319 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351756885 438333849 /nfs/dbraw/zinc/33/38/49/438333849.db2.gz BKLIOTQFUTZERZ-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419124679 438334024 /nfs/dbraw/zinc/33/40/24/438334024.db2.gz RLQOHYAJRJXIQQ-OWCLPIDISA-N 1 3 338.496 0.871 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnnn1C ZINC000358953132 438335052 /nfs/dbraw/zinc/33/50/52/438335052.db2.gz QMNKVVNSEKZISV-AWEZNQCLSA-N 1 3 337.472 0.373 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnnn1C ZINC000358953132 438335056 /nfs/dbraw/zinc/33/50/56/438335056.db2.gz QMNKVVNSEKZISV-AWEZNQCLSA-N 1 3 337.472 0.373 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419141507 438345389 /nfs/dbraw/zinc/34/53/89/438345389.db2.gz AUTHVUMLSNFHPG-MAUKXSAKSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000419032761 438297653 /nfs/dbraw/zinc/29/76/53/438297653.db2.gz XEFFZCSXRODJKJ-QLFBSQMISA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419042320 438302665 /nfs/dbraw/zinc/30/26/65/438302665.db2.gz HJDFUHQLOLEZRA-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419414992 438356763 /nfs/dbraw/zinc/35/67/63/438356763.db2.gz FOBVBXTWQZZALU-GOEBONIOSA-N 1 3 332.448 0.745 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000378203998 438363773 /nfs/dbraw/zinc/36/37/73/438363773.db2.gz KENHFLUXVWDTRB-NVXWUHKLSA-N 1 3 326.485 0.145 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419708427 438368442 /nfs/dbraw/zinc/36/84/42/438368442.db2.gz FZFYOMPJHGKRQE-HUUCEWRRSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419800677 438372261 /nfs/dbraw/zinc/37/22/61/438372261.db2.gz IOPZSAFLPYHAAF-UHFFFAOYSA-N 1 3 326.485 0.810 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420034995 438383549 /nfs/dbraw/zinc/38/35/49/438383549.db2.gz CUOFABRXOQVBLX-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000369089212 438422397 /nfs/dbraw/zinc/42/23/97/438422397.db2.gz YNVGCYNFXWJMDP-DLBZAZTESA-N 1 3 338.496 0.072 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389986572 438429497 /nfs/dbraw/zinc/42/94/97/438429497.db2.gz MJWQLCMSUSMMMI-HFTRVMKXSA-N 1 3 346.475 0.723 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389986572 438429500 /nfs/dbraw/zinc/42/95/00/438429500.db2.gz MJWQLCMSUSMMMI-HFTRVMKXSA-N 1 3 346.475 0.723 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000359475295 438442875 /nfs/dbraw/zinc/44/28/75/438442875.db2.gz RPJXCBBVOSYKBA-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000359475295 438442879 /nfs/dbraw/zinc/44/28/79/438442879.db2.gz RPJXCBBVOSYKBA-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000359278944 438403583 /nfs/dbraw/zinc/40/35/83/438403583.db2.gz VHULKZOFPRFXGG-ZNMIVQPWSA-N 1 3 326.485 0.774 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000359278944 438403587 /nfs/dbraw/zinc/40/35/87/438403587.db2.gz VHULKZOFPRFXGG-ZNMIVQPWSA-N 1 3 326.485 0.774 20 0 ECADHO CCN1CCN(CCC(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000359293108 438405730 /nfs/dbraw/zinc/40/57/30/438405730.db2.gz OZWDLVCRCSKFSQ-UHFFFAOYSA-N 1 3 342.553 0.958 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)C1CC1 ZINC000359323008 438412169 /nfs/dbraw/zinc/41/21/69/438412169.db2.gz OLLADPJPOFTAGA-GDBMZVCRSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)C1CC1 ZINC000359323008 438412171 /nfs/dbraw/zinc/41/21/71/438412171.db2.gz OLLADPJPOFTAGA-GDBMZVCRSA-N 1 3 338.496 0.918 20 0 ECADHO COCCCN1CCCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000369556659 438490728 /nfs/dbraw/zinc/49/07/28/438490728.db2.gz OCQSCJRAPQHRIC-MRXNPFEDSA-N 1 3 349.479 0.992 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000440985556 438573341 /nfs/dbraw/zinc/57/33/41/438573341.db2.gz UERNGVKWSJCDFK-LSDHHAIUSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000440985556 438573344 /nfs/dbraw/zinc/57/33/44/438573344.db2.gz UERNGVKWSJCDFK-LSDHHAIUSA-N 1 3 325.501 0.794 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442595719 438611654 /nfs/dbraw/zinc/61/16/54/438611654.db2.gz SXXLOIFEUGGJCF-UHFFFAOYSA-N 1 3 327.517 0.996 20 0 ECADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@H](CC[NH3+])C1 ZINC000443064817 438639074 /nfs/dbraw/zinc/63/90/74/438639074.db2.gz YXYRFQBJZNQKMY-JKSUJKDBSA-N 1 3 346.479 0.575 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)o1 ZINC000423173442 438644716 /nfs/dbraw/zinc/64/47/16/438644716.db2.gz YQIGSASEFLOQRM-AWEZNQCLSA-N 1 3 336.436 0.285 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423185951 438646707 /nfs/dbraw/zinc/64/67/07/438646707.db2.gz KGRLMDSMPDKUBP-IJEWVQPXSA-N 1 3 338.496 0.618 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000423226288 438650452 /nfs/dbraw/zinc/65/04/52/438650452.db2.gz QDTWLTSDMFPBML-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423399997 438672472 /nfs/dbraw/zinc/67/24/72/438672472.db2.gz WHODKTCVDAWJAO-UONOGXRCSA-N 1 3 335.452 0.717 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423511300 438682288 /nfs/dbraw/zinc/68/22/88/438682288.db2.gz OOMCZJDPUJWAST-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000423554966 438687039 /nfs/dbraw/zinc/68/70/39/438687039.db2.gz FSSGKSYFTFJUMB-ZDUSSCGKSA-N 1 3 348.422 0.963 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414186328 438699656 /nfs/dbraw/zinc/69/96/56/438699656.db2.gz HOSVBJRGPRIJCA-WMZOPIPTSA-N 1 3 336.524 0.855 20 0 ECADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C[C@@H]1COc2ccccc2O1 ZINC000414675701 438714501 /nfs/dbraw/zinc/71/45/01/438714501.db2.gz GLMOXCNWAFDXHU-LSDHHAIUSA-N 1 3 333.432 0.956 20 0 ECADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C[C@@H]1COc2ccccc2O1 ZINC000414675701 438714505 /nfs/dbraw/zinc/71/45/05/438714505.db2.gz GLMOXCNWAFDXHU-LSDHHAIUSA-N 1 3 333.432 0.956 20 0 ECADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCNc2ccncc2)c1 ZINC000414860310 438719295 /nfs/dbraw/zinc/71/92/95/438719295.db2.gz PFPQMBPOWRYNBH-UHFFFAOYSA-N 1 3 341.415 0.780 20 0 ECADHO NC(=O)c1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414997075 438726011 /nfs/dbraw/zinc/72/60/11/438726011.db2.gz YDORHUSJOWEWSW-CYBMUJFWSA-N 1 3 330.354 0.711 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCC1 ZINC000575826014 438755813 /nfs/dbraw/zinc/75/58/13/438755813.db2.gz UXZUUPYZDJUBNS-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCC1 ZINC000575826014 438755814 /nfs/dbraw/zinc/75/58/14/438755814.db2.gz UXZUUPYZDJUBNS-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000557196361 438795305 /nfs/dbraw/zinc/79/53/05/438795305.db2.gz HMMDWXLPFWZZQF-MSOLQXFVSA-N 1 3 345.491 0.935 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000576861117 438802009 /nfs/dbraw/zinc/80/20/09/438802009.db2.gz ZQBDQKPLNVWFMT-GOEBONIOSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000576958492 438806426 /nfs/dbraw/zinc/80/64/26/438806426.db2.gz LHOVQMVTFDGXPX-APIJFGDWSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000576958492 438806429 /nfs/dbraw/zinc/80/64/29/438806429.db2.gz LHOVQMVTFDGXPX-APIJFGDWSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN(C)C[C@H]2CN)([NH+](C)C)C1 ZINC000576687253 438794137 /nfs/dbraw/zinc/79/41/37/438794137.db2.gz IYGWDAZECKZVDY-INMHGKMJSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000515016602 438843208 /nfs/dbraw/zinc/84/32/08/438843208.db2.gz MYIBUGCLOUPMBZ-PVAVHDDUSA-N 1 3 348.491 0.672 20 0 ECADHO CC[NH+]1CCC(NC[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000515234744 438857875 /nfs/dbraw/zinc/85/78/75/438857875.db2.gz OOZDZCPSJHQWCP-AWEZNQCLSA-N 1 3 331.416 0.717 20 0 ECADHO CN1CCN(C[C@H](O)C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000564861659 438879309 /nfs/dbraw/zinc/87/93/09/438879309.db2.gz FXQQKGIEFKHYHG-WOJBJXKFSA-N 1 3 346.519 0.706 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564861659 438879313 /nfs/dbraw/zinc/87/93/13/438879313.db2.gz FXQQKGIEFKHYHG-WOJBJXKFSA-N 1 3 346.519 0.706 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564861659 438879318 /nfs/dbraw/zinc/87/93/18/438879318.db2.gz FXQQKGIEFKHYHG-WOJBJXKFSA-N 1 3 346.519 0.706 20 0 ECADHO CC(C)[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)N1CCN(C)CC1 ZINC000577950774 438884099 /nfs/dbraw/zinc/88/40/99/438884099.db2.gz BOXLHSXIJSRSAB-JKSUJKDBSA-N 1 3 326.485 0.143 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1CCN(c2ccncc2)CC1 ZINC000564932124 438889491 /nfs/dbraw/zinc/88/94/91/438889491.db2.gz XBTCBHGEJQJARX-MRXNPFEDSA-N 1 3 345.447 0.282 20 0 ECADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCN(C2CC2)C1 ZINC000516554771 438913329 /nfs/dbraw/zinc/91/33/29/438913329.db2.gz JKEWEGHOVIDPLO-YPMHNXCESA-N 1 3 349.401 0.358 20 0 ECADHO COC[C@H](O)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000517025356 438945250 /nfs/dbraw/zinc/94/52/50/438945250.db2.gz ORYWRVBRLXKBEQ-QGZVFWFLSA-N 1 3 335.448 0.481 20 0 ECADHO COC[C@H](O)CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000517025356 438945254 /nfs/dbraw/zinc/94/52/54/438945254.db2.gz ORYWRVBRLXKBEQ-QGZVFWFLSA-N 1 3 335.448 0.481 20 0 ECADHO CC[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000578738227 438947902 /nfs/dbraw/zinc/94/79/02/438947902.db2.gz VFKLAEJXQHWPMM-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000459299060 438957722 /nfs/dbraw/zinc/95/77/22/438957722.db2.gz JZLXDRTYVUNUDP-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000459299060 438957731 /nfs/dbraw/zinc/95/77/31/438957731.db2.gz JZLXDRTYVUNUDP-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000578857722 438958737 /nfs/dbraw/zinc/95/87/37/438958737.db2.gz SVRIFESRHFCZSN-HNNXBMFYSA-N 1 3 334.464 0.285 20 0 ECADHO CN1CC=C(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000578864765 438961389 /nfs/dbraw/zinc/96/13/89/438961389.db2.gz WKLAKNOWZOXGGZ-ZDUSSCGKSA-N 1 3 349.401 0.384 20 0 ECADHO C[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)CN1CCN(C)CC1 ZINC000565603189 438964108 /nfs/dbraw/zinc/96/41/08/438964108.db2.gz IJXUUYCKJFLHHM-OAHLLOKOSA-N 1 3 325.501 0.640 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000518514637 439000976 /nfs/dbraw/zinc/00/09/76/439000976.db2.gz DTEKLAFOMZLLMY-UTSKFRMZSA-N 1 3 348.491 0.657 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000602068456 439006668 /nfs/dbraw/zinc/00/66/68/439006668.db2.gz WGGJKUSAWBZZQU-UHFFFAOYSA-N 1 3 325.453 0.720 20 0 ECADHO COCCOC[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000580064326 439059205 /nfs/dbraw/zinc/05/92/05/439059205.db2.gz XFAYAWLDGIVYFB-IKGGRYGDSA-N 1 3 330.469 0.368 20 0 ECADHO COCCOC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000580064326 439059209 /nfs/dbraw/zinc/05/92/09/439059209.db2.gz XFAYAWLDGIVYFB-IKGGRYGDSA-N 1 3 330.469 0.368 20 0 ECADHO CN(CCC[NH2+]C[C@H](O)CN1CCN(C)CC1)Cc1ccccc1 ZINC000519142003 439023539 /nfs/dbraw/zinc/02/35/39/439023539.db2.gz VFRMGMJCZOGFTB-IBGZPJMESA-N 1 3 334.508 0.706 20 0 ECADHO CN1CCN(C[C@@H](O)CNCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000519142003 439023546 /nfs/dbraw/zinc/02/35/46/439023546.db2.gz VFRMGMJCZOGFTB-IBGZPJMESA-N 1 3 334.508 0.706 20 0 ECADHO CN1CCN(C[C@@H](O)CNCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000519142003 439023551 /nfs/dbraw/zinc/02/35/51/439023551.db2.gz VFRMGMJCZOGFTB-IBGZPJMESA-N 1 3 334.508 0.706 20 0 ECADHO CCN1CCN(CCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000519151440 439025430 /nfs/dbraw/zinc/02/54/30/439025430.db2.gz YNCUSAYMEWDKEE-LJQANCHMSA-N 1 3 330.476 0.671 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000459900028 439029453 /nfs/dbraw/zinc/02/94/53/439029453.db2.gz IKDNNNLIZIODEF-INIZCTEOSA-N 1 3 340.512 0.975 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000459900028 439029458 /nfs/dbraw/zinc/02/94/58/439029458.db2.gz IKDNNNLIZIODEF-INIZCTEOSA-N 1 3 340.512 0.975 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C[C@@H]21 ZINC000460062690 439070272 /nfs/dbraw/zinc/07/02/72/439070272.db2.gz NFLPAVJQILGHMP-OAGGEKHMSA-N 1 3 334.464 0.236 20 0 ECADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000460071229 439073517 /nfs/dbraw/zinc/07/35/17/439073517.db2.gz YJPRNBQTOFARNH-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000580768422 439127743 /nfs/dbraw/zinc/12/77/43/439127743.db2.gz CIHDCOLVWMHEFU-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000580772692 439129653 /nfs/dbraw/zinc/12/96/53/439129653.db2.gz QKDGVIOHOAMOCJ-CABCVRRESA-N 1 3 325.501 0.781 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)CC1=O ZINC000567286191 439131318 /nfs/dbraw/zinc/13/13/18/439131318.db2.gz DFFQOMMWKUTPGO-ZJIFWQFVSA-N 1 3 336.480 0.657 20 0 ECADHO O=C(CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)N1CCNCC1 ZINC000567639150 439159371 /nfs/dbraw/zinc/15/93/71/439159371.db2.gz ZQDPLXQOROAVKS-GUDVDZBRSA-N 1 3 342.487 0.918 20 0 ECADHO O=C(CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)N1CCNCC1 ZINC000567639150 439159376 /nfs/dbraw/zinc/15/93/76/439159376.db2.gz ZQDPLXQOROAVKS-GUDVDZBRSA-N 1 3 342.487 0.918 20 0 ECADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000581262647 439193760 /nfs/dbraw/zinc/19/37/60/439193760.db2.gz ZNQXVTQMFFDOLN-INIZCTEOSA-N 1 3 332.448 0.804 20 0 ECADHO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000581304551 439194234 /nfs/dbraw/zinc/19/42/34/439194234.db2.gz LLHVTMJDOWNKDI-HRCADAONSA-N 1 3 334.464 0.284 20 0 ECADHO COC(=O)c1ccnc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000597941838 439200794 /nfs/dbraw/zinc/20/07/94/439200794.db2.gz DNGPFZMVJDGTJZ-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO COC(=O)c1ccnc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000597941838 439200799 /nfs/dbraw/zinc/20/07/99/439200799.db2.gz DNGPFZMVJDGTJZ-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1csc(CC[NH3+])n1 ZINC000581371100 439206231 /nfs/dbraw/zinc/20/62/31/439206231.db2.gz NGWGSSPSNXZCFA-GFCCVEGCSA-N 1 3 326.466 0.827 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000568087048 439211691 /nfs/dbraw/zinc/21/16/91/439211691.db2.gz KMIXACNFCACQQX-IRXDYDNUSA-N 1 3 331.464 0.313 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000581651081 439238017 /nfs/dbraw/zinc/23/80/17/439238017.db2.gz DWUDPGUJEUZWGZ-AOIWGVFYSA-N 1 3 329.444 0.786 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000581651081 439238022 /nfs/dbraw/zinc/23/80/22/439238022.db2.gz DWUDPGUJEUZWGZ-AOIWGVFYSA-N 1 3 329.444 0.786 20 0 ECADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000568491666 439250743 /nfs/dbraw/zinc/25/07/43/439250743.db2.gz YCFHKUDTBAZUKY-RDBSUJKOSA-N 1 3 346.422 0.912 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568853439 439284610 /nfs/dbraw/zinc/28/46/10/439284610.db2.gz XBYAASRGDDEJQU-SJKOYZFVSA-N 1 3 342.443 0.870 20 0 ECADHO CN(C)CCn1ccc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)n1 ZINC000592959262 439322030 /nfs/dbraw/zinc/32/20/30/439322030.db2.gz QWWZCCBJGMHPRL-LBPRGKRZSA-N 1 3 331.424 0.730 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604631086 439322709 /nfs/dbraw/zinc/32/27/09/439322709.db2.gz DVICZVQZLGOUGB-INIZCTEOSA-N 1 3 325.501 0.750 20 0 ECADHO CC(C)(C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000582431552 439336333 /nfs/dbraw/zinc/33/63/33/439336333.db2.gz IUOOEILJMMIYLL-KFWWJZLASA-N 1 3 330.432 0.483 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000568974382 439293207 /nfs/dbraw/zinc/29/32/07/439293207.db2.gz NGQJJUNPFAAJOT-ILXRZTDVSA-N 1 3 329.452 0.928 20 0 ECADHO CC(C)(CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000582616942 439359275 /nfs/dbraw/zinc/35/92/75/439359275.db2.gz IFJARXDQYNUQOC-ZIAGYGMSSA-N 1 3 337.468 0.204 20 0 ECADHO CCN1CCN(CCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000582663660 439362419 /nfs/dbraw/zinc/36/24/19/439362419.db2.gz YKOOYPLRESOWSR-KRWDZBQOSA-N 1 3 348.495 0.565 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000569710240 439356449 /nfs/dbraw/zinc/35/64/49/439356449.db2.gz DZWLPDKXQBOLHF-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000582871549 439391744 /nfs/dbraw/zinc/39/17/44/439391744.db2.gz LOITZQGASYXFGP-SRABZTEZSA-N 1 3 348.491 0.671 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)(C)C ZINC000582856312 439391845 /nfs/dbraw/zinc/39/18/45/439391845.db2.gz IBQGKHCJLMYEBK-MJBXVCDLSA-N 1 3 339.484 0.306 20 0 ECADHO CC(C)[C@H]1CNCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000529342049 439410090 /nfs/dbraw/zinc/41/00/90/439410090.db2.gz ZQWRIAUVSVYVEC-OFLPRAFFSA-N 1 3 337.512 0.842 20 0 ECADHO CC(C)[C@H]1CNCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000529342049 439410091 /nfs/dbraw/zinc/41/00/91/439410091.db2.gz ZQWRIAUVSVYVEC-OFLPRAFFSA-N 1 3 337.512 0.842 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529357267 439412082 /nfs/dbraw/zinc/41/20/82/439412082.db2.gz MIUDAPIUPQJQTK-GJZGRUSLSA-N 1 3 349.479 0.219 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000529354765 439413084 /nfs/dbraw/zinc/41/30/84/439413084.db2.gz BNKVHJHMASMNED-HZPDHXFCSA-N 1 3 335.496 0.692 20 0 ECADHO CC(C)[C@](C)(CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C\CN(C)C ZINC000491892797 439469422 /nfs/dbraw/zinc/46/94/22/439469422.db2.gz MELZVAXIEAEANJ-PJYDUQGUSA-N 1 3 338.496 0.869 20 0 ECADHO CC(C)[C@](C)(CNC(=O)/C=C/CN(C)C)NC(=O)/C=C\C[NH+](C)C ZINC000491892797 439469427 /nfs/dbraw/zinc/46/94/27/439469427.db2.gz MELZVAXIEAEANJ-PJYDUQGUSA-N 1 3 338.496 0.869 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000593907191 439492582 /nfs/dbraw/zinc/49/25/82/439492582.db2.gz ONMMHCMILXNGOU-AWEZNQCLSA-N 1 3 325.453 0.767 20 0 ECADHO O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN2CCC[C@@H]2C1 ZINC000571312855 439493960 /nfs/dbraw/zinc/49/39/60/439493960.db2.gz IOSUNTQTWZLBLY-OWCLPIDISA-N 1 3 334.464 0.141 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@H]1CNCCO1 ZINC000571420176 439503488 /nfs/dbraw/zinc/50/34/88/439503488.db2.gz FWQNHPWAUMXABA-DLBZAZTESA-N 1 3 332.448 0.796 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1CNCCO1 ZINC000571420176 439503491 /nfs/dbraw/zinc/50/34/91/439503491.db2.gz FWQNHPWAUMXABA-DLBZAZTESA-N 1 3 332.448 0.796 20 0 ECADHO CN(C)C/C=C\C(=O)N(C1CC1)[C@H]1CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000492347010 439524767 /nfs/dbraw/zinc/52/47/67/439524767.db2.gz WLBBAONNPZFIFB-RRNMNRGRSA-N 1 3 348.491 0.814 20 0 ECADHO CN(C)C/C=C\C(=O)N1CC[C@H](N(C(=O)/C=C\C[NH+](C)C)C2CC2)C1 ZINC000492347010 439524771 /nfs/dbraw/zinc/52/47/71/439524771.db2.gz WLBBAONNPZFIFB-RRNMNRGRSA-N 1 3 348.491 0.814 20 0 ECADHO CN(C)C/C=C/C(=O)Nc1cc(CNC(=O)/C=C\C[NH+](C)C)ccn1 ZINC000492672482 439558073 /nfs/dbraw/zinc/55/80/73/439558073.db2.gz DEFBEVMBEDWLHD-CGXWXWIYSA-N 1 3 345.447 0.872 20 0 ECADHO CN(C)C/C=C\C(=O)NCc1ccnc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000492672482 439558078 /nfs/dbraw/zinc/55/80/78/439558078.db2.gz DEFBEVMBEDWLHD-CGXWXWIYSA-N 1 3 345.447 0.872 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000571569046 439514898 /nfs/dbraw/zinc/51/48/98/439514898.db2.gz VIZXNAQKNNAGBK-UHFFFAOYSA-N 1 3 334.464 0.427 20 0 ECADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000572257706 439570731 /nfs/dbraw/zinc/57/07/31/439570731.db2.gz GFMKIERZJBWTDM-KRWDZBQOSA-N 1 3 342.443 0.968 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000584350921 439581026 /nfs/dbraw/zinc/58/10/26/439581026.db2.gz IPEWMSUTLCMHJZ-UHFFFAOYSA-N 1 3 341.481 0.260 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000584666787 439606103 /nfs/dbraw/zinc/60/61/03/439606103.db2.gz USTPNDBCWPBTOT-JKSUJKDBSA-N 1 3 349.479 0.347 20 0 ECADHO CC(C)(CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCCCC1 ZINC000584846290 439622132 /nfs/dbraw/zinc/62/21/32/439622132.db2.gz KZBLLTUOUSSDAO-MRXNPFEDSA-N 1 3 337.512 0.940 20 0 ECADHO CN1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000574384347 439701255 /nfs/dbraw/zinc/70/12/55/439701255.db2.gz CIZFHWGUDKKORV-IRXDYDNUSA-N 1 3 331.464 0.636 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000574412685 439702795 /nfs/dbraw/zinc/70/27/95/439702795.db2.gz DNGKLEBFZMENGV-DOTOQJQBSA-N 1 3 346.475 0.820 20 0 ECADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000573926155 439674140 /nfs/dbraw/zinc/67/41/40/439674140.db2.gz DTBVBAADFUPURZ-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000574038113 439680451 /nfs/dbraw/zinc/68/04/51/439680451.db2.gz WEVZVGNGDREQIE-CYBMUJFWSA-N 1 3 332.448 0.735 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)CC2CC[NH2+]CC2)CC1 ZINC000574078027 439683121 /nfs/dbraw/zinc/68/31/21/439683121.db2.gz LDMWJRVEUWFTTM-UHFFFAOYSA-N 1 3 325.453 0.767 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000612547392 439728170 /nfs/dbraw/zinc/72/81/70/439728170.db2.gz CQBGIPRQXCNMOT-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000612547392 439728173 /nfs/dbraw/zinc/72/81/73/439728173.db2.gz CQBGIPRQXCNMOT-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000611838296 439731592 /nfs/dbraw/zinc/73/15/92/439731592.db2.gz HTTPHQJJGDTSMD-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000611849995 439732775 /nfs/dbraw/zinc/73/27/75/439732775.db2.gz POUVGFVIYQSADW-KGLIPLIRSA-N 1 3 326.485 0.822 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O ZINC000616995544 439828040 /nfs/dbraw/zinc/82/80/40/439828040.db2.gz UIIXGERKOYIORY-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1=O ZINC000616995544 439828046 /nfs/dbraw/zinc/82/80/46/439828046.db2.gz UIIXGERKOYIORY-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO O=C(NC[C@@H]1CCN(C2CC2)C1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662682757 439844170 /nfs/dbraw/zinc/84/41/70/439844170.db2.gz UGEPUTQLQFTEER-DZGCQCFKSA-N 1 3 332.452 0.807 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000652459350 439856439 /nfs/dbraw/zinc/85/64/39/439856439.db2.gz JVDLGVASBCAEGF-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000652459350 439856447 /nfs/dbraw/zinc/85/64/47/439856447.db2.gz JVDLGVASBCAEGF-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[C@H]1CCN(C2CC2)C1 ZINC000662720187 439857148 /nfs/dbraw/zinc/85/71/48/439857148.db2.gz VCZZSOPJPXAVTH-GJZGRUSLSA-N 1 3 332.452 0.901 20 0 ECADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662886039 439928405 /nfs/dbraw/zinc/92/84/05/439928405.db2.gz YSRQGMIXMXYSDE-ZBFHGGJFSA-N 1 3 334.420 0.386 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000631649049 439882698 /nfs/dbraw/zinc/88/26/98/439882698.db2.gz UHUUCRAISYQTRD-HNNXBMFYSA-N 1 3 332.514 0.028 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000631649049 439882705 /nfs/dbraw/zinc/88/27/05/439882705.db2.gz UHUUCRAISYQTRD-HNNXBMFYSA-N 1 3 332.514 0.028 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662792162 439891925 /nfs/dbraw/zinc/89/19/25/439891925.db2.gz ZPSUKLOIAVMLMO-CQSZACIVSA-N 1 3 336.402 0.624 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1-n1cnnn1 ZINC000617504400 439899675 /nfs/dbraw/zinc/89/96/75/439899675.db2.gz UGIUGDWUDFSNKR-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1-n1cnnn1 ZINC000617504400 439899682 /nfs/dbraw/zinc/89/96/82/439899682.db2.gz UGIUGDWUDFSNKR-AWEZNQCLSA-N 1 3 345.451 0.664 20 0 ECADHO Cc1csc(=O)n1CCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503660 439900293 /nfs/dbraw/zinc/90/02/93/439900293.db2.gz TUTYDEUYIGVFHX-ZDUSSCGKSA-N 1 3 342.509 0.997 20 0 ECADHO Cc1csc(=O)n1CCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503660 439900298 /nfs/dbraw/zinc/90/02/98/439900298.db2.gz TUTYDEUYIGVFHX-ZDUSSCGKSA-N 1 3 342.509 0.997 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2ncncc2C1 ZINC000617502365 439900811 /nfs/dbraw/zinc/90/08/11/439900811.db2.gz MTPJTNYAHDQPCE-LSDHHAIUSA-N 1 3 333.480 0.970 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2ncncc2C1 ZINC000617502365 439900818 /nfs/dbraw/zinc/90/08/18/439900818.db2.gz MTPJTNYAHDQPCE-LSDHHAIUSA-N 1 3 333.480 0.970 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1CN(CC(F)(F)F)C1 ZINC000617506934 439902046 /nfs/dbraw/zinc/90/20/46/439902046.db2.gz CQLMNFMMJNQIGE-LBPRGKRZSA-N 1 3 338.418 0.869 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1CN(CC(F)(F)F)C1 ZINC000617506934 439902051 /nfs/dbraw/zinc/90/20/51/439902051.db2.gz CQLMNFMMJNQIGE-LBPRGKRZSA-N 1 3 338.418 0.869 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)c3cccc4c3CCNC4)C[C@H]2[NH3+])cn1 ZINC000662819485 439903778 /nfs/dbraw/zinc/90/37/78/439903778.db2.gz KJWXNOWZOYUWPV-DLBZAZTESA-N 1 3 325.416 0.633 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662858032 439915350 /nfs/dbraw/zinc/91/53/50/439915350.db2.gz DNLSICHGJJJTIV-ROUUACIJSA-N 1 3 347.459 0.638 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662858032 439915359 /nfs/dbraw/zinc/91/53/59/439915359.db2.gz DNLSICHGJJJTIV-ROUUACIJSA-N 1 3 347.459 0.638 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C)C(C)(C)C3)C2)CC1 ZINC000641797127 439916508 /nfs/dbraw/zinc/91/65/08/439916508.db2.gz VCZMLURFWJMDRP-OAHLLOKOSA-N 1 3 337.512 0.891 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C)C(C)(C)C3)C2)CC1 ZINC000641797127 439916514 /nfs/dbraw/zinc/91/65/14/439916514.db2.gz VCZMLURFWJMDRP-OAHLLOKOSA-N 1 3 337.512 0.891 20 0 ECADHO CN1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1(C)C ZINC000641797127 439916521 /nfs/dbraw/zinc/91/65/21/439916521.db2.gz VCZMLURFWJMDRP-OAHLLOKOSA-N 1 3 337.512 0.891 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCSC1 ZINC000652685509 439920734 /nfs/dbraw/zinc/92/07/34/439920734.db2.gz NBEHSLLNGSYENQ-INIZCTEOSA-N 1 3 342.509 0.127 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000642330447 439972340 /nfs/dbraw/zinc/97/23/40/439972340.db2.gz KLDSATMXZHWWEX-JKJDWNRSSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642330598 439972429 /nfs/dbraw/zinc/97/24/29/439972429.db2.gz ZZXJRZNWAOSGNU-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000642344742 439976387 /nfs/dbraw/zinc/97/63/87/439976387.db2.gz AWACZKDAPXBGRS-ZDUSSCGKSA-N 1 3 342.509 0.318 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000642439485 439980624 /nfs/dbraw/zinc/98/06/24/439980624.db2.gz IUMXUORXYVOXJH-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000642439511 439981695 /nfs/dbraw/zinc/98/16/95/439981695.db2.gz JZBBGWOWINXXOI-ZJIFWQFVSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C(=O)NC[C@H]1C[NH2+]CCN1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000641999475 439940080 /nfs/dbraw/zinc/94/00/80/439940080.db2.gz MURKKXSYMHOETL-ZWKOTPCHSA-N 1 3 345.491 0.806 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000652723964 439944584 /nfs/dbraw/zinc/94/45/84/439944584.db2.gz QDKRUEFZYSFAEH-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642104425 439949559 /nfs/dbraw/zinc/94/95/59/439949559.db2.gz JYNXKZAMRGUAII-IRXDYDNUSA-N 1 3 346.475 0.534 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000652731767 439951592 /nfs/dbraw/zinc/95/15/92/439951592.db2.gz UKDDMVKEEUAGSW-ARFHVFGLSA-N 1 3 336.480 0.517 20 0 ECADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000662937734 439953118 /nfs/dbraw/zinc/95/31/18/439953118.db2.gz KHRGHTAWWADUKR-MRXNPFEDSA-N 1 3 346.475 0.915 20 0 ECADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCN1CC[C@@H](O)C1 ZINC000636620133 439964636 /nfs/dbraw/zinc/96/46/36/439964636.db2.gz VYGIEGVAXOPNAP-DLBZAZTESA-N 1 3 334.464 0.525 20 0 ECADHO NC1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCCC1 ZINC000663015561 439990241 /nfs/dbraw/zinc/99/02/41/439990241.db2.gz WCCLDISMPKTZDX-AWEZNQCLSA-N 1 3 346.479 0.797 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663018671 439991303 /nfs/dbraw/zinc/99/13/03/439991303.db2.gz QGZPAHLWAZUXPS-HNNXBMFYSA-N 1 3 348.495 0.866 20 0 ECADHO NC1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC1 ZINC000663017164 439993280 /nfs/dbraw/zinc/99/32/80/439993280.db2.gz IPPGSMMTMZCUQH-ZDUSSCGKSA-N 1 3 332.452 0.407 20 0 ECADHO COCCNCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627083412 440004018 /nfs/dbraw/zinc/00/40/18/440004018.db2.gz SWXBWMREFKXFAB-OAHLLOKOSA-N 1 3 328.457 0.023 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000658569304 440011354 /nfs/dbraw/zinc/01/13/54/440011354.db2.gz DRXPQJAKRYKLTH-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000642720688 440014549 /nfs/dbraw/zinc/01/45/49/440014549.db2.gz HMFFBUUCFFKGSN-UHFFFAOYSA-N 1 3 336.436 0.763 20 0 ECADHO CN(C)C1(CNS(=O)(=O)CCC[NH+]2CCCC2)CCOCC1 ZINC000631968061 440018460 /nfs/dbraw/zinc/01/84/60/440018460.db2.gz QYOCFDLHWLXRER-UHFFFAOYSA-N 1 3 333.498 0.503 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C[C@H]21 ZINC000642785899 440038683 /nfs/dbraw/zinc/03/86/83/440038683.db2.gz PFZIQTJETXBUDJ-KLHDSHLOSA-N 1 3 334.464 0.173 20 0 ECADHO C[C@H](CNC(=O)NCCN1CC[C@@H](O)C1)[N@@H+](C)Cc1ccccc1 ZINC000636768620 440031918 /nfs/dbraw/zinc/03/19/18/440031918.db2.gz YHRFHOLHADIPAY-NVXWUHKLSA-N 1 3 334.464 0.873 20 0 ECADHO C[NH2+]CCOCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000627008214 439987963 /nfs/dbraw/zinc/98/79/63/439987963.db2.gz DRRFZHDYGUWMTH-UHFFFAOYSA-N 1 3 335.452 0.833 20 0 ECADHO Cc1nn(C)c(N2CCOCC2)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647544634 440068378 /nfs/dbraw/zinc/06/83/78/440068378.db2.gz AANFCFAIRAXQFB-IYBDPMFKSA-N 1 3 333.480 0.997 20 0 ECADHO C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000653155660 440083699 /nfs/dbraw/zinc/08/36/99/440083699.db2.gz BFFGBSCCKLZYEF-ZWKOTPCHSA-N 1 3 348.491 0.673 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000643070607 440085109 /nfs/dbraw/zinc/08/51/09/440085109.db2.gz UPLFKUKWAQKQSA-GFCCVEGCSA-N 1 3 336.436 0.762 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)C1=CC[N@H+](C)CC1 ZINC000636908932 440088891 /nfs/dbraw/zinc/08/88/91/440088891.db2.gz QMFVCRQOPYEAIH-RHSMWYFYSA-N 1 3 348.491 0.886 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000636908932 440088898 /nfs/dbraw/zinc/08/88/98/440088898.db2.gz QMFVCRQOPYEAIH-RHSMWYFYSA-N 1 3 348.491 0.886 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000653373681 440137654 /nfs/dbraw/zinc/13/76/54/440137654.db2.gz QPACEXBVNFUJSP-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000653373681 440137662 /nfs/dbraw/zinc/13/76/62/440137662.db2.gz QPACEXBVNFUJSP-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000647595562 440097728 /nfs/dbraw/zinc/09/77/28/440097728.db2.gz QJJYVCAZORNGCF-CHWSQXEVSA-N 1 3 342.484 0.234 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000627309491 440114236 /nfs/dbraw/zinc/11/42/36/440114236.db2.gz SIARYQWOYSFXCU-DLBZAZTESA-N 1 3 346.475 0.881 20 0 ECADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000643455563 440170602 /nfs/dbraw/zinc/17/06/02/440170602.db2.gz WHIXCEXBRLASTQ-YSIASYRMSA-N 1 3 346.519 0.941 20 0 ECADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000643455563 440170605 /nfs/dbraw/zinc/17/06/05/440170605.db2.gz WHIXCEXBRLASTQ-YSIASYRMSA-N 1 3 346.519 0.941 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643470235 440176071 /nfs/dbraw/zinc/17/60/71/440176071.db2.gz XDQIVRGPYOKYBC-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000643478837 440179433 /nfs/dbraw/zinc/17/94/33/440179433.db2.gz LQAVRKCZFTWKPQ-ZBFHGGJFSA-N 1 3 345.447 0.316 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC[C@@H]1[NH3+] ZINC000643492865 440184684 /nfs/dbraw/zinc/18/46/84/440184684.db2.gz SIYVWOLQQJRERO-PMPSAXMXSA-N 1 3 336.480 0.659 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC4(COC4)C3)CC2)CC1 ZINC000663877294 440188269 /nfs/dbraw/zinc/18/82/69/440188269.db2.gz UHHDUSDFULJZDO-UHFFFAOYSA-N 1 3 336.480 0.977 20 0 ECADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627357139 440149161 /nfs/dbraw/zinc/14/91/61/440149161.db2.gz YLKMJJLTXJUYMQ-RDJZCZTQSA-N 1 3 346.475 0.820 20 0 ECADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627357139 440149167 /nfs/dbraw/zinc/14/91/67/440149167.db2.gz YLKMJJLTXJUYMQ-RDJZCZTQSA-N 1 3 346.475 0.820 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)CC2 ZINC000643526227 440200400 /nfs/dbraw/zinc/20/04/00/440200400.db2.gz VMLIYOSOJIXCNY-WCVJEAGWSA-N 1 3 336.480 0.656 20 0 ECADHO C[C@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1=CCN(C)CC1 ZINC000627376565 440161728 /nfs/dbraw/zinc/16/17/28/440161728.db2.gz GELPDBRCWUAPHL-DOPJRALCSA-N 1 3 334.464 0.211 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)C[NH2+]1 ZINC000627377429 440164158 /nfs/dbraw/zinc/16/41/58/440164158.db2.gz INFJTPOJWHFHNK-XJKSGUPXSA-N 1 3 332.448 0.621 20 0 ECADHO C[C@H]1CCC[C@](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)([NH+](C)C)C1 ZINC000647994632 440209429 /nfs/dbraw/zinc/20/94/29/440209429.db2.gz XIVYQRPMIAJZDM-JKQORVJESA-N 1 3 326.485 0.813 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627446941 440211030 /nfs/dbraw/zinc/21/10/30/440211030.db2.gz XTRMPIRHWGJCAM-RBSFLKMASA-N 1 3 336.480 0.766 20 0 ECADHO CCCN(C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2)[C@H]1CC[NH2+]C1 ZINC000643591277 440214844 /nfs/dbraw/zinc/21/48/44/440214844.db2.gz LIBZWVZOHICCAS-MAUKXSAKSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CC1 ZINC000659078396 440231291 /nfs/dbraw/zinc/23/12/91/440231291.db2.gz IIYSYFLYKQGYLC-MRXNPFEDSA-N 1 3 346.431 0.496 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CC1 ZINC000659078396 440231296 /nfs/dbraw/zinc/23/12/96/440231296.db2.gz IIYSYFLYKQGYLC-MRXNPFEDSA-N 1 3 346.431 0.496 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643531959 440201968 /nfs/dbraw/zinc/20/19/68/440201968.db2.gz HVQZZPUMDZJZOX-GJZGRUSLSA-N 1 3 342.484 0.141 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000643545401 440207566 /nfs/dbraw/zinc/20/75/66/440207566.db2.gz LHELIZWXTGCZFG-ZVDSWSACSA-N 1 3 334.464 0.267 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000659096345 440242443 /nfs/dbraw/zinc/24/24/43/440242443.db2.gz OTRZBACGGZOBBI-CQSZACIVSA-N 1 3 348.447 0.952 20 0 ECADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000648152935 440246662 /nfs/dbraw/zinc/24/66/62/440246662.db2.gz QBOJOFCZQYZBTJ-CABCVRRESA-N 1 3 344.450 0.860 20 0 ECADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000648152935 440246666 /nfs/dbraw/zinc/24/66/66/440246666.db2.gz QBOJOFCZQYZBTJ-CABCVRRESA-N 1 3 344.450 0.860 20 0 ECADHO [NH3+]CCn1cc(C(=O)NCC2(N3CCSCC3)CCCC2)nn1 ZINC000659288890 440291099 /nfs/dbraw/zinc/29/10/99/440291099.db2.gz VCHPNVDAINFMDE-UHFFFAOYSA-N 1 3 338.481 0.328 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)CN1C1CC1 ZINC000664366809 440298826 /nfs/dbraw/zinc/29/88/26/440298826.db2.gz CHNSNSLSADPBIE-HUUCEWRRSA-N 1 3 325.501 0.794 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N[C@H]3CCC[NH2+]C3)ccc2[nH]c1=O ZINC000637805383 440337717 /nfs/dbraw/zinc/33/77/17/440337717.db2.gz LPSQIROFIGIOKI-ZDUSSCGKSA-N 1 3 331.420 0.785 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000659539170 440359038 /nfs/dbraw/zinc/35/90/38/440359038.db2.gz BHSIYPMLVHWANO-CQSZACIVSA-N 1 3 327.473 0.165 20 0 ECADHO C[C@@H]1CN(C(=O)NCC2([NH3+])CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000659573126 440365940 /nfs/dbraw/zinc/36/59/40/440365940.db2.gz KYMRFROTESXQBJ-CVEARBPZSA-N 1 3 337.512 0.925 20 0 ECADHO CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664735955 440366327 /nfs/dbraw/zinc/36/63/27/440366327.db2.gz BIMAXAJNZXVKLH-KBPBESRZSA-N 1 3 329.489 0.424 20 0 ECADHO CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664735955 440366334 /nfs/dbraw/zinc/36/63/34/440366334.db2.gz BIMAXAJNZXVKLH-KBPBESRZSA-N 1 3 329.489 0.424 20 0 ECADHO C[C@H]1CN(C(=O)NCC2([NH3+])CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000659573131 440366908 /nfs/dbraw/zinc/36/69/08/440366908.db2.gz KYMRFROTESXQBJ-JKSUJKDBSA-N 1 3 337.512 0.925 20 0 ECADHO N[C@H]1CCCCN(CC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1=O ZINC000643800994 440326243 /nfs/dbraw/zinc/32/62/43/440326243.db2.gz OPGIRSMDAYOEND-JKSUJKDBSA-N 1 3 332.448 0.923 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000659681094 440416782 /nfs/dbraw/zinc/41/67/82/440416782.db2.gz PIRNOSOLUSRTBD-QLFBSQMISA-N 1 3 326.485 0.713 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633034541 440417017 /nfs/dbraw/zinc/41/70/17/440417017.db2.gz OSUIWUCLDJUQMA-OKILXGFUSA-N 1 3 346.431 0.658 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659681063 440417384 /nfs/dbraw/zinc/41/73/84/440417384.db2.gz OXNIUFXSFFLSBY-FPCVCCKLSA-N 1 3 338.496 0.809 20 0 ECADHO COCC[NH+]1CCC(NC(=O)[C@H](N)Cc2cccc(OC)c2)CC1 ZINC000638077835 440426510 /nfs/dbraw/zinc/42/65/10/440426510.db2.gz BEQYGLZOZHBXNT-QGZVFWFLSA-N 1 3 335.448 0.792 20 0 ECADHO COCC[NH+]1CCC(NC(=O)[C@@H](N)Cc2cccc(OC)c2)CC1 ZINC000638077834 440426952 /nfs/dbraw/zinc/42/69/52/440426952.db2.gz BEQYGLZOZHBXNT-KRWDZBQOSA-N 1 3 335.448 0.792 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)NC(N)=O ZINC000654679561 440377532 /nfs/dbraw/zinc/37/75/32/440377532.db2.gz ZFKSLGHIJVPCNK-KBPBESRZSA-N 1 3 327.473 0.308 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)NC(N)=O ZINC000654679561 440377537 /nfs/dbraw/zinc/37/75/37/440377537.db2.gz ZFKSLGHIJVPCNK-KBPBESRZSA-N 1 3 327.473 0.308 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000659629432 440380617 /nfs/dbraw/zinc/38/06/17/440380617.db2.gz SJKNVAASROHAHU-GFCCVEGCSA-N 1 3 334.424 0.172 20 0 ECADHO CO[C@H]1COCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665000579 440402422 /nfs/dbraw/zinc/40/24/22/440402422.db2.gz MAYKCCRPIQQWKA-XHSDSOJGSA-N 1 3 344.500 0.609 20 0 ECADHO CO[C@H]1COCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665000579 440402424 /nfs/dbraw/zinc/40/24/24/440402424.db2.gz MAYKCCRPIQQWKA-XHSDSOJGSA-N 1 3 344.500 0.609 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000659671555 440408450 /nfs/dbraw/zinc/40/84/50/440408450.db2.gz GVDRDDGWEOWHCP-BEFAXECRSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@H](Cc1cnn(C)c1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665049171 440409792 /nfs/dbraw/zinc/40/97/92/440409792.db2.gz QFUHAFNHGGYZFD-CABCVRRESA-N 1 3 338.500 0.922 20 0 ECADHO C[C@H](Cc1cnn(C)c1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665049171 440409801 /nfs/dbraw/zinc/40/98/01/440409801.db2.gz QFUHAFNHGGYZFD-CABCVRRESA-N 1 3 338.500 0.922 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000665077815 440414402 /nfs/dbraw/zinc/41/44/02/440414402.db2.gz JGSPLQOIHGTYCU-XJKSGUPXSA-N 1 3 327.473 0.226 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000665077815 440414409 /nfs/dbraw/zinc/41/44/09/440414409.db2.gz JGSPLQOIHGTYCU-XJKSGUPXSA-N 1 3 327.473 0.226 20 0 ECADHO C[C@]1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CNCCO1 ZINC000638140730 440464860 /nfs/dbraw/zinc/46/48/60/440464860.db2.gz PCUOHYGOYFBTLM-GOSISDBHSA-N 1 3 347.463 0.088 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCCC1 ZINC000659733458 440469592 /nfs/dbraw/zinc/46/95/92/440469592.db2.gz FDEMBYGUIZOCMK-OAHLLOKOSA-N 1 3 336.480 0.851 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659734758 440471504 /nfs/dbraw/zinc/47/15/04/440471504.db2.gz BVNMHJRXQPMXAJ-QLFBSQMISA-N 1 3 336.480 0.705 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737362 440473514 /nfs/dbraw/zinc/47/35/14/440473514.db2.gz TUTYQLHRZKCBLC-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659736246 440473827 /nfs/dbraw/zinc/47/38/27/440473827.db2.gz MDUYMVXSDKLLHB-FVRSWCFKSA-N 1 3 334.464 0.378 20 0 ECADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000659741545 440479273 /nfs/dbraw/zinc/47/92/73/440479273.db2.gz VDIFYEYBLATGFP-CSLYMUCUSA-N 1 3 334.464 0.332 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659698444 440431413 /nfs/dbraw/zinc/43/14/13/440431413.db2.gz NKNGDRMWPMNPRI-KZGGZSBBSA-N 1 3 336.480 0.420 20 0 ECADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000659704656 440438772 /nfs/dbraw/zinc/43/87/72/440438772.db2.gz NZXCQXLCHLBBSK-UHFFFAOYSA-N 1 3 347.463 0.610 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000659704309 440439631 /nfs/dbraw/zinc/43/96/31/440439631.db2.gz MGNNUYBBIRQIPE-ZMSDIMECSA-N 1 3 346.475 0.880 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@@H]4CO[C@@H]5[C@H]3CO[C@H]45)CC2)CC1 ZINC000654957299 440443440 /nfs/dbraw/zinc/44/34/40/440443440.db2.gz KMKHIOCYAPASKG-BRSBDYLESA-N 1 3 349.475 0.560 20 0 ECADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659714853 440449186 /nfs/dbraw/zinc/44/91/86/440449186.db2.gz YNPNZWRUGBBKLQ-HUUCEWRRSA-N 1 3 336.480 0.625 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659716647 440451977 /nfs/dbraw/zinc/45/19/77/440451977.db2.gz BODBUYSWIXNJEF-GJZGRUSLSA-N 1 3 342.484 0.045 20 0 ECADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638236533 440487423 /nfs/dbraw/zinc/48/74/23/440487423.db2.gz FORSTXLWAYRADV-AAEUAGOBSA-N 1 3 331.420 0.865 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000638264895 440489939 /nfs/dbraw/zinc/48/99/39/440489939.db2.gz AFRUVSULRDBOHO-QWHCGFSZSA-N 1 3 332.370 0.842 20 0 ECADHO COC[C@]1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000638341667 440519068 /nfs/dbraw/zinc/51/90/68/440519068.db2.gz OYUFGOPTNCSRQO-ZBFHGGJFSA-N 1 3 336.440 0.059 20 0 ECADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638362536 440520497 /nfs/dbraw/zinc/52/04/97/440520497.db2.gz BDTGYCXUOXXMLK-INIZCTEOSA-N 1 3 326.529 0.837 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000665762899 440523684 /nfs/dbraw/zinc/52/36/84/440523684.db2.gz TVAUANOXWNYOGT-KBPBESRZSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000665762899 440523689 /nfs/dbraw/zinc/52/36/89/440523689.db2.gz TVAUANOXWNYOGT-KBPBESRZSA-N 1 3 327.473 0.131 20 0 ECADHO CC(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H](C)C1 ZINC000665760876 440523712 /nfs/dbraw/zinc/52/37/12/440523712.db2.gz QXGUYNWNYSBUBX-GJZGRUSLSA-N 1 3 341.500 0.521 20 0 ECADHO CC(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H](C)C1 ZINC000665760876 440523719 /nfs/dbraw/zinc/52/37/19/440523719.db2.gz QXGUYNWNYSBUBX-GJZGRUSLSA-N 1 3 341.500 0.521 20 0 ECADHO C[C@@H](O)C[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760684 440523947 /nfs/dbraw/zinc/52/39/47/440523947.db2.gz MXWRWLBFLITJOZ-ARFHVFGLSA-N 1 3 344.500 0.440 20 0 ECADHO C[C@@H](O)C[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760684 440523951 /nfs/dbraw/zinc/52/39/51/440523951.db2.gz MXWRWLBFLITJOZ-ARFHVFGLSA-N 1 3 344.500 0.440 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC[C@@H](CO)O1 ZINC000665763020 440527265 /nfs/dbraw/zinc/52/72/65/440527265.db2.gz XJFLCOCDILNYKK-ZNMIVQPWSA-N 1 3 330.473 0.098 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC[C@@H](CO)O1 ZINC000665763020 440527269 /nfs/dbraw/zinc/52/72/69/440527269.db2.gz XJFLCOCDILNYKK-ZNMIVQPWSA-N 1 3 330.473 0.098 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000638405920 440530015 /nfs/dbraw/zinc/53/00/15/440530015.db2.gz GRYJZWQMXNULDO-ZIFCJYIRSA-N 1 3 347.459 0.636 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000665763898 440530288 /nfs/dbraw/zinc/53/02/88/440530288.db2.gz OELJUPARAAUOSP-LSDHHAIUSA-N 1 3 344.500 0.440 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000665763898 440530293 /nfs/dbraw/zinc/53/02/93/440530293.db2.gz OELJUPARAAUOSP-LSDHHAIUSA-N 1 3 344.500 0.440 20 0 ECADHO COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764097 440530897 /nfs/dbraw/zinc/53/08/97/440530897.db2.gz ULWBHGGUQMWEJG-SOUVJXGZSA-N 1 3 330.473 0.050 20 0 ECADHO COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665764097 440530901 /nfs/dbraw/zinc/53/09/01/440530901.db2.gz ULWBHGGUQMWEJG-SOUVJXGZSA-N 1 3 330.473 0.050 20 0 ECADHO CN(CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC(C)(C)C ZINC000638220487 440482345 /nfs/dbraw/zinc/48/23/45/440482345.db2.gz QVSNTQUVSKTOLD-LBPRGKRZSA-N 1 3 338.418 0.917 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000638527635 440562205 /nfs/dbraw/zinc/56/22/05/440562205.db2.gz WLLUBLYQMLSYCI-YJBOKZPZSA-N 1 3 348.447 0.684 20 0 ECADHO NCc1cccc2c1N(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)CCC2 ZINC000638545518 440567730 /nfs/dbraw/zinc/56/77/30/440567730.db2.gz VJSKSGHJOVSOBX-OAHLLOKOSA-N 1 3 330.432 0.683 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000660120162 440602793 /nfs/dbraw/zinc/60/27/93/440602793.db2.gz DQVOVOJZNKRVBT-CVEARBPZSA-N 1 3 326.485 0.102 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000660120162 440602798 /nfs/dbraw/zinc/60/27/98/440602798.db2.gz DQVOVOJZNKRVBT-CVEARBPZSA-N 1 3 326.485 0.102 20 0 ECADHO COC[C@]1(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638786179 440623257 /nfs/dbraw/zinc/62/32/57/440623257.db2.gz KMWVJZWAZYLHJF-WMZOPIPTSA-N 1 3 339.480 0.762 20 0 ECADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCNC(=O)C2)cc1 ZINC000638874272 440637167 /nfs/dbraw/zinc/63/71/67/440637167.db2.gz XPSLNBOWHHZBIP-MRXNPFEDSA-N 1 3 332.448 0.736 20 0 ECADHO CN(C)CCn1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)cn1 ZINC000638983750 440658662 /nfs/dbraw/zinc/65/86/62/440658662.db2.gz NYBMHHBCJJLKEJ-UHFFFAOYSA-N 1 3 343.435 0.502 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000639004461 440663070 /nfs/dbraw/zinc/66/30/70/440663070.db2.gz IQGSBOTZUANWML-IRXDYDNUSA-N 1 3 344.459 0.554 20 0 ECADHO [NH3+]CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000666741411 440682720 /nfs/dbraw/zinc/68/27/20/440682720.db2.gz OMXQPLJDEVZOEO-OAHLLOKOSA-N 1 3 346.431 0.659 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000655910343 440641697 /nfs/dbraw/zinc/64/16/97/440641697.db2.gz YNZJHZKXAKMWBT-XBXGTLAGSA-N 1 3 333.440 0.348 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028895 440699703 /nfs/dbraw/zinc/69/97/03/440699703.db2.gz SXYHERBZELBKMH-JJXSEGSLSA-N 1 3 336.480 0.705 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC1CN(C)C1 ZINC000660853292 440743557 /nfs/dbraw/zinc/74/35/57/440743557.db2.gz USCQXDGOQYZFJK-HNNXBMFYSA-N 1 3 339.484 0.132 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)CC1CN(C)C1 ZINC000660853292 440743562 /nfs/dbraw/zinc/74/35/62/440743562.db2.gz USCQXDGOQYZFJK-HNNXBMFYSA-N 1 3 339.484 0.132 20 0 ECADHO CC(C)[C@H](CNc1nc(N)nc2c1CCCC2)[NH+]1CCN(C)CC1 ZINC000645112929 440748148 /nfs/dbraw/zinc/74/81/48/440748148.db2.gz VKIGBKKYBNJSPR-INIZCTEOSA-N 1 3 332.496 1.043 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000645210956 440764203 /nfs/dbraw/zinc/76/42/03/440764203.db2.gz XVCZIYZQHBOYAU-AWEZNQCLSA-N 1 3 339.484 0.622 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000645210956 440764208 /nfs/dbraw/zinc/76/42/08/440764208.db2.gz XVCZIYZQHBOYAU-AWEZNQCLSA-N 1 3 339.484 0.622 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000629796255 440764232 /nfs/dbraw/zinc/76/42/32/440764232.db2.gz PHMGKSBYTHKZNF-UHFFFAOYSA-N 1 3 334.464 0.692 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000629801393 440767858 /nfs/dbraw/zinc/76/78/58/440767858.db2.gz LGYHSQNCWISYOO-UHFFFAOYSA-N 1 3 338.496 0.908 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000645259630 440771049 /nfs/dbraw/zinc/77/10/49/440771049.db2.gz CXBQLDFBCNVELI-KGLIPLIRSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000645259630 440771052 /nfs/dbraw/zinc/77/10/52/440771052.db2.gz CXBQLDFBCNVELI-KGLIPLIRSA-N 1 3 337.468 0.232 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000645262660 440772500 /nfs/dbraw/zinc/77/25/00/440772500.db2.gz IPEQFNJDJWMYGV-CABCVRRESA-N 1 3 339.484 0.478 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000645262660 440772503 /nfs/dbraw/zinc/77/25/03/440772503.db2.gz IPEQFNJDJWMYGV-CABCVRRESA-N 1 3 339.484 0.478 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656336462 440774921 /nfs/dbraw/zinc/77/49/21/440774921.db2.gz FGYNPLVLTXQZQD-OAGGEKHMSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCC[C@@H](C)C1 ZINC000656342727 440778879 /nfs/dbraw/zinc/77/88/79/440778879.db2.gz CNGBPWVEMVUZJH-QXSJWSMHSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656343112 440779691 /nfs/dbraw/zinc/77/96/91/440779691.db2.gz KWVPGVGEYNKCLI-YHUYYLMFSA-N 1 3 338.496 0.822 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000656358443 440788475 /nfs/dbraw/zinc/78/84/75/440788475.db2.gz KRLFSKLASWZXCI-BBWFWOEESA-N 1 3 348.491 0.816 20 0 ECADHO CC1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C[NH2+]C1 ZINC000645453064 440811915 /nfs/dbraw/zinc/81/19/15/440811915.db2.gz ZSSQMUSZCTYGIA-UHFFFAOYSA-N 1 3 330.476 0.920 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635703641 440955598 /nfs/dbraw/zinc/95/55/98/440955598.db2.gz MSAMFRKSFJSPHI-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635703641 440955602 /nfs/dbraw/zinc/95/56/02/440955602.db2.gz MSAMFRKSFJSPHI-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO [NH3+]C1CCN(CCc2cn(CCCN3CCSCC3)nn2)CC1 ZINC000630589898 440920497 /nfs/dbraw/zinc/92/04/97/440920497.db2.gz MYNPBPLEYISPDX-UHFFFAOYSA-N 1 3 338.525 0.683 20 0 ECADHO CN(C)CCn1cc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cn1 ZINC000645803255 440923458 /nfs/dbraw/zinc/92/34/58/440923458.db2.gz KNWKZNCJGBELQU-ZDUSSCGKSA-N 1 3 332.412 0.213 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000646187575 441019677 /nfs/dbraw/zinc/01/96/77/441019677.db2.gz FJJGMAITGVWATD-BFHYXJOUSA-N 1 3 327.473 0.354 20 0 ECADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2c1CNC2 ZINC000662562386 441071002 /nfs/dbraw/zinc/07/10/02/441071002.db2.gz YOQAPJYGJSQLQQ-AWEZNQCLSA-N 1 3 342.365 0.856 20 0 ECADHO CCO[C@@H]1CN(C(=O)NCCCN2CCCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652183010 441026049 /nfs/dbraw/zinc/02/60/49/441026049.db2.gz KSMYMOYMVQJEEN-BZUAXINKSA-N 1 3 342.484 0.493 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000646433508 441061165 /nfs/dbraw/zinc/06/11/65/441061165.db2.gz YXNBPMAPFWIBQF-OAHLLOKOSA-N 1 3 332.448 0.592 20 0 ECADHO Cc1c(C(=O)N(C)[C@H](C)C2CCN(C)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662527813 441064046 /nfs/dbraw/zinc/06/40/46/441064046.db2.gz ZSCBJHKQTDPDAN-IUODEOHRSA-N 1 3 334.468 0.923 20 0 ECADHO COC[C@H]([NH3+])Cc1cn(C[C@@H](O)CN(C)Cc2ccccc2)nn1 ZINC000641215087 441076890 /nfs/dbraw/zinc/07/68/90/441076890.db2.gz MSPDVVALTLYZHD-WBVHZDCISA-N 1 3 333.436 0.287 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339581944 320987313 /nfs/dbraw/zinc/98/73/13/320987313.db2.gz OGFBHUNKRSDFFN-MRXNPFEDSA-N 1 3 338.496 0.635 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC2CCN(CC)CC2)CC1 ZINC000339672722 320996198 /nfs/dbraw/zinc/99/61/98/320996198.db2.gz ZSGSFLGHMDHBLR-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000340213651 321022817 /nfs/dbraw/zinc/02/28/17/321022817.db2.gz KFPXXYMJCJZEBG-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000340213651 321022818 /nfs/dbraw/zinc/02/28/18/321022818.db2.gz KFPXXYMJCJZEBG-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000340253369 321029722 /nfs/dbraw/zinc/02/97/22/321029722.db2.gz IXEQATSOPOGSPU-OAHLLOKOSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000340259635 321031196 /nfs/dbraw/zinc/03/11/96/321031196.db2.gz WLALEOAGLJVQEC-QGZVFWFLSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340262952 321031899 /nfs/dbraw/zinc/03/18/99/321031899.db2.gz ZIVIWMVPSLPYLF-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340262952 321031900 /nfs/dbraw/zinc/03/19/00/321031900.db2.gz ZIVIWMVPSLPYLF-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CCSC1 ZINC000340417975 321042509 /nfs/dbraw/zinc/04/25/09/321042509.db2.gz GAVUNWNXCLACGN-BBRMVZONSA-N 1 3 342.509 0.093 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342053004 321074092 /nfs/dbraw/zinc/07/40/92/321074092.db2.gz HDUZXQHCLITLJG-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342053004 321074093 /nfs/dbraw/zinc/07/40/93/321074093.db2.gz HDUZXQHCLITLJG-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO COCCN(C)CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000342383723 321088173 /nfs/dbraw/zinc/08/81/73/321088173.db2.gz VAJNRZTUTHCYGO-HNNXBMFYSA-N 1 3 329.510 0.898 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC1CCN(CCOC)CC1)C(C)C ZINC000343017201 321117057 /nfs/dbraw/zinc/11/70/57/321117057.db2.gz ZHKRXJPXCQKMTK-UHFFFAOYSA-N 1 3 342.484 0.060 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC1CCN(CCOC)CC1)C(C)C ZINC000343017201 321117058 /nfs/dbraw/zinc/11/70/58/321117058.db2.gz ZHKRXJPXCQKMTK-UHFFFAOYSA-N 1 3 342.484 0.060 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)C[N@@H+]1C1CC1 ZINC000346114171 321214936 /nfs/dbraw/zinc/21/49/36/321214936.db2.gz UADALBRSKSTTSO-CPUCHLNUSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)C[N@H+]1C1CC1 ZINC000346114171 321214937 /nfs/dbraw/zinc/21/49/37/321214937.db2.gz UADALBRSKSTTSO-CPUCHLNUSA-N 1 3 348.491 0.861 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@@H](C)C1 ZINC000346415432 321219204 /nfs/dbraw/zinc/21/92/04/321219204.db2.gz QSFKBEQGSUAEQA-XHSDSOJGSA-N 1 3 338.496 0.585 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@@H](C)C1 ZINC000346415432 321219206 /nfs/dbraw/zinc/21/92/06/321219206.db2.gz QSFKBEQGSUAEQA-XHSDSOJGSA-N 1 3 338.496 0.585 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000347974313 321261312 /nfs/dbraw/zinc/26/13/12/321261312.db2.gz KDRYYZQKRWCWBX-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000347974313 321261314 /nfs/dbraw/zinc/26/13/14/321261314.db2.gz KDRYYZQKRWCWBX-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000347977814 321262153 /nfs/dbraw/zinc/26/21/53/321262153.db2.gz PBQFSZMNUWTQEI-KLHDSHLOSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000347977814 321262154 /nfs/dbraw/zinc/26/21/54/321262154.db2.gz PBQFSZMNUWTQEI-KLHDSHLOSA-N 1 3 338.496 0.822 20 0 ECADHO C[NH+](C)CCOCCNCc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000349191960 321299498 /nfs/dbraw/zinc/29/94/98/321299498.db2.gz PGWKVENGNPXHIM-HNNXBMFYSA-N 1 3 344.481 0.085 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000521640677 321978161 /nfs/dbraw/zinc/97/81/61/321978161.db2.gz ZYIVFPRXDGNILZ-SMDDNHRTSA-N 1 3 343.497 0.562 20 0 ECADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545883554 322111497 /nfs/dbraw/zinc/11/14/97/322111497.db2.gz MNROPLSHYXHANY-DLTWYDFYSA-N 1 3 326.485 0.719 20 0 ECADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545883554 322111499 /nfs/dbraw/zinc/11/14/99/322111499.db2.gz MNROPLSHYXHANY-DLTWYDFYSA-N 1 3 326.485 0.719 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000546037359 322114644 /nfs/dbraw/zinc/11/46/44/322114644.db2.gz QNAXNCSLTJVSIY-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000546037359 322114647 /nfs/dbraw/zinc/11/46/47/322114647.db2.gz QNAXNCSLTJVSIY-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000557133874 322204312 /nfs/dbraw/zinc/20/43/12/322204312.db2.gz CKNZVNVWZNTXJW-CVEARBPZSA-N 1 3 325.501 0.783 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000557133874 322204314 /nfs/dbraw/zinc/20/43/14/322204314.db2.gz CKNZVNVWZNTXJW-CVEARBPZSA-N 1 3 325.501 0.783 20 0 ECADHO CCN1CCN(Cc2ccc(C[NH2+]CCC(=O)NC(N)=O)cc2)CC1 ZINC000562984914 322290941 /nfs/dbraw/zinc/29/09/41/322290941.db2.gz MUZJUJYAKHTQNQ-UHFFFAOYSA-N 1 3 347.463 0.499 20 0 ECADHO CCCCN1CCCC[C@H]1C[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000562987112 322291276 /nfs/dbraw/zinc/29/12/76/322291276.db2.gz MIZYDAWXVMPGSL-ROUUACIJSA-N 1 3 326.529 0.839 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1CNC[C@H](O)CN1CCN(C)CC1 ZINC000562987112 322291278 /nfs/dbraw/zinc/29/12/78/322291278.db2.gz MIZYDAWXVMPGSL-ROUUACIJSA-N 1 3 326.529 0.839 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1CNC[C@H](O)CN1CCN(C)CC1 ZINC000562987112 322291280 /nfs/dbraw/zinc/29/12/80/322291280.db2.gz MIZYDAWXVMPGSL-ROUUACIJSA-N 1 3 326.529 0.839 20 0 ECADHO CN1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@H]1c1ccccc1 ZINC000563587857 322330386 /nfs/dbraw/zinc/33/03/86/322330386.db2.gz CUFXPWHSDMSMPG-GVDBMIGSSA-N 1 3 331.464 0.716 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])o1 ZINC000563624175 322334483 /nfs/dbraw/zinc/33/44/83/322334483.db2.gz LVEMTAPNBNVGPH-QWHCGFSZSA-N 1 3 338.452 0.720 20 0 ECADHO O[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)Cn1cccn1 ZINC000563881635 322350313 /nfs/dbraw/zinc/35/03/13/322350313.db2.gz LVVSHGAFWLPWNG-LJQANCHMSA-N 1 3 344.459 0.991 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(C)CCCS1 ZINC000564015761 322358289 /nfs/dbraw/zinc/35/82/89/322358289.db2.gz IOYSGCAPQZMGMN-MRXNPFEDSA-N 1 3 344.525 0.340 20 0 ECADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CC1(C)C ZINC000564821262 322395685 /nfs/dbraw/zinc/39/56/85/322395685.db2.gz HGKALJUQRKKPQG-HUUCEWRRSA-N 1 3 340.512 0.879 20 0 ECADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567926434 322606565 /nfs/dbraw/zinc/60/65/65/322606565.db2.gz ITFCIHFEHZTSDF-MXAVVETBSA-N 1 3 337.468 0.107 20 0 ECADHO C[NH+](C)[C@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)C[C@@H]1O ZINC000571580848 322726610 /nfs/dbraw/zinc/72/66/10/322726610.db2.gz WKDSJBORJGAYGE-GJZGRUSLSA-N 1 3 325.453 0.155 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000575233872 322793144 /nfs/dbraw/zinc/79/31/44/322793144.db2.gz LLTKHZMDNRTHKZ-CYBMUJFWSA-N 1 3 336.436 0.795 20 0 ECADHO CN1CCC(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000579453776 322896600 /nfs/dbraw/zinc/89/66/00/322896600.db2.gz RNKXOHXJUPIAEF-UHFFFAOYSA-N 1 3 348.491 0.467 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000580302493 322921458 /nfs/dbraw/zinc/92/14/58/322921458.db2.gz VYHQKKVXQUUIMG-LSDHHAIUSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)[NH+]1CCN(CCCN2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000191498762 529042081 /nfs/dbraw/zinc/04/20/81/529042081.db2.gz CPUCAFBORGGRNA-OAHLLOKOSA-N 1 3 332.514 0.026 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000262901469 536566221 /nfs/dbraw/zinc/56/62/21/536566221.db2.gz PQXNHOKBIPPURP-KRWDZBQOSA-N 1 3 335.448 0.623 20 0 ECADHO CNC(=O)Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000131346529 545789141 /nfs/dbraw/zinc/78/91/41/545789141.db2.gz HAQFJCQDTSDFSA-UHFFFAOYSA-N 1 3 349.479 0.932 20 0 ECADHO C[C@H](CC[N@H+](C)CCN1CCOCC1)N(C)CCN1CCOCC1 ZINC000153482748 545824746 /nfs/dbraw/zinc/82/47/46/545824746.db2.gz WRIPWFDXYJIIJV-GOSISDBHSA-N 1 3 342.528 0.293 20 0 ECADHO C[C@H](CC[N@@H+](C)CCN1CCOCC1)N(C)CCN1CCOCC1 ZINC000153482748 545824751 /nfs/dbraw/zinc/82/47/51/545824751.db2.gz WRIPWFDXYJIIJV-GOSISDBHSA-N 1 3 342.528 0.293 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000342991985 546091244 /nfs/dbraw/zinc/09/12/44/546091244.db2.gz RPFPFUUDYMVQIM-SOUVJXGZSA-N 1 3 326.485 0.774 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621647424 546534662 /nfs/dbraw/zinc/53/46/62/546534662.db2.gz IROWROQJTCXDJQ-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)N1CCC(C)CC1 ZINC000621841069 546572850 /nfs/dbraw/zinc/57/28/50/546572850.db2.gz PQXWGDUIANOSST-VKJFTORMSA-N 1 3 336.480 0.563 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@H](C(N)=O)C3)CC2)CC1 ZINC000623564475 546804900 /nfs/dbraw/zinc/80/49/00/546804900.db2.gz FASJOMNQWXKTSQ-MQMHXKEQSA-N 1 3 337.468 0.108 20 0 ECADHO C[C@H]1C[C@H](CCNc2nc(N)nc(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000624061201 546873731 /nfs/dbraw/zinc/87/37/31/546873731.db2.gz XEFRAILDLSIGPB-JSGCOSHPSA-N 1 3 327.436 0.831 20 0 ECADHO C[C@H]1C[C@H](CCNc2nc(N)nc(N)n2)C[N@H+]1Cc1ccccc1 ZINC000624061201 546873734 /nfs/dbraw/zinc/87/37/34/546873734.db2.gz XEFRAILDLSIGPB-JSGCOSHPSA-N 1 3 327.436 0.831 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625543824 547143418 /nfs/dbraw/zinc/14/34/18/547143418.db2.gz WVIPEOXOSBAUMO-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667535957 547529377 /nfs/dbraw/zinc/52/93/77/547529377.db2.gz XVKJMYCGGHWAEE-WBVHZDCISA-N 1 3 344.459 0.940 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000668547008 547682765 /nfs/dbraw/zinc/68/27/65/547682765.db2.gz ASFBSPXVCWOOTM-UONOGXRCSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000668547008 547682769 /nfs/dbraw/zinc/68/27/69/547682769.db2.gz ASFBSPXVCWOOTM-UONOGXRCSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000668672607 547720561 /nfs/dbraw/zinc/72/05/61/547720561.db2.gz VKKJYLFINHTACW-LSDHHAIUSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(C(=O)C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CCN(CC)C1 ZINC000668682189 547722880 /nfs/dbraw/zinc/72/28/80/547722880.db2.gz AMAKABZKBDXQJZ-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CCC)C2)CC1 ZINC000668713511 547733438 /nfs/dbraw/zinc/73/34/38/547733438.db2.gz RWMPDMQKXSECRB-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000668794866 547750912 /nfs/dbraw/zinc/75/09/12/547750912.db2.gz SIYVTSQDUSBVAX-GJZGRUSLSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000668794866 547750918 /nfs/dbraw/zinc/75/09/18/547750918.db2.gz SIYVTSQDUSBVAX-GJZGRUSLSA-N 1 3 338.496 0.822 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC)[C@@H]1CCN(CC)C1 ZINC000668794963 547752934 /nfs/dbraw/zinc/75/29/34/547752934.db2.gz BSYGORKRULFHMR-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC)[C@@H]1CCN(CC)C1 ZINC000668794963 547752939 /nfs/dbraw/zinc/75/29/39/547752939.db2.gz BSYGORKRULFHMR-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669500059 547900322 /nfs/dbraw/zinc/90/03/22/547900322.db2.gz HSLJXDKNEFWOGU-CVEARBPZSA-N 1 3 325.501 0.701 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000670436315 548010397 /nfs/dbraw/zinc/01/03/97/548010397.db2.gz ZRZBCYHVXILWOV-FPCVCCKLSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000670782673 548048385 /nfs/dbraw/zinc/04/83/85/548048385.db2.gz CNQBDZBNEVVSSD-CQSZACIVSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000670783697 548049149 /nfs/dbraw/zinc/04/91/49/548049149.db2.gz NWWWFYCXWPJLDM-CJNGLKHVSA-N 1 3 334.464 0.425 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672303935 548300717 /nfs/dbraw/zinc/30/07/17/548300717.db2.gz BKOHJYOUHDLFNY-BBWFWOEESA-N 1 3 348.491 0.672 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672303935 548300722 /nfs/dbraw/zinc/30/07/22/548300722.db2.gz BKOHJYOUHDLFNY-BBWFWOEESA-N 1 3 348.491 0.672 20 0 ECADHO NC(=O)[C@H]1CCCN1C1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000678887894 549057591 /nfs/dbraw/zinc/05/75/91/549057591.db2.gz MJPDSOFCKZSWBY-IXDOHACOSA-N 1 3 336.480 0.264 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1(C)C ZINC000685048972 549650487 /nfs/dbraw/zinc/65/04/87/549650487.db2.gz BSTWQAKAHUZZEI-INIZCTEOSA-N 1 3 337.512 0.796 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1(C)C ZINC000685048972 549650488 /nfs/dbraw/zinc/65/04/88/549650488.db2.gz BSTWQAKAHUZZEI-INIZCTEOSA-N 1 3 337.512 0.796 20 0 ECADHO CN1CCN(c2cc[nH+]cc2NC(=O)CCN2CCOCC2)CC1 ZINC000751358271 579366433 /nfs/dbraw/zinc/36/64/33/579366433.db2.gz MBDIZNSMYHVKEH-UHFFFAOYSA-N 1 3 333.436 0.494 20 0 ECADHO C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC1(C)OCCO1 ZINC000758858040 579483071 /nfs/dbraw/zinc/48/30/71/579483071.db2.gz KMNOIHVAHBFUBR-OAHLLOKOSA-N 1 3 344.500 0.910 20 0 ECADHO CCNS(=O)(=O)CC[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000772978506 579218338 /nfs/dbraw/zinc/21/83/38/579218338.db2.gz NKHDKZBHBUHGSK-LSDHHAIUSA-N 1 3 335.514 0.652 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000774307424 579245632 /nfs/dbraw/zinc/24/56/32/579245632.db2.gz DMQUYVDNDPSBIL-HNNXBMFYSA-N 1 3 342.484 0.807 20 0 ECADHO Cc1nonc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000745790092 579827559 /nfs/dbraw/zinc/82/75/59/579827559.db2.gz UEPUUOCVQKJSFQ-UHFFFAOYSA-N 1 3 336.440 0.736 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841059478 588977319 /nfs/dbraw/zinc/97/73/19/588977319.db2.gz RZGNUMBWMJCJFR-CQSZACIVSA-N 1 3 334.420 0.515 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])cc2)CC1 ZINC000841255573 588984795 /nfs/dbraw/zinc/98/47/95/588984795.db2.gz KTMCHSVRMXLVKU-KBPBESRZSA-N 1 3 347.463 0.619 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000841725069 588999080 /nfs/dbraw/zinc/99/90/80/588999080.db2.gz JQXIRTWLPIVQMH-LSDHHAIUSA-N 1 3 339.484 0.357 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841791322 589001032 /nfs/dbraw/zinc/00/10/32/589001032.db2.gz UHBUDFULOVCLFC-SJORKVTESA-N 1 3 330.432 0.952 20 0 ECADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000841941694 589006865 /nfs/dbraw/zinc/00/68/65/589006865.db2.gz OPGPGSKNTUQOPU-WMZOPIPTSA-N 1 3 332.448 0.627 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000842223512 589022031 /nfs/dbraw/zinc/02/20/31/589022031.db2.gz KJGWXPUEZSDIHT-INIZCTEOSA-N 1 3 332.448 0.575 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000842249784 589024504 /nfs/dbraw/zinc/02/45/04/589024504.db2.gz FCCWVSVEMFOSTB-QGZVFWFLSA-N 1 3 348.491 0.719 20 0 ECADHO CS[C@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000807767535 586066127 /nfs/dbraw/zinc/06/61/27/586066127.db2.gz ZRBPSLQFBUWURU-KBPBESRZSA-N 1 3 344.525 0.339 20 0 ECADHO CCN(C(=O)NCCCCN1CCN(CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000891356252 586165110 /nfs/dbraw/zinc/16/51/10/586165110.db2.gz HMDFMCBPVUWKJL-MRXNPFEDSA-N 1 3 325.501 0.798 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891464000 586169741 /nfs/dbraw/zinc/16/97/41/586169741.db2.gz ILTOGBNRWDTWBF-RDJZCZTQSA-N 1 3 344.463 0.349 20 0 ECADHO CN(C)[C@@]1(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000891641696 586184473 /nfs/dbraw/zinc/18/44/73/586184473.db2.gz PVXLJYDXDMQWBX-DGCLKSJQSA-N 1 3 336.452 0.968 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccn1 ZINC000891729198 586191996 /nfs/dbraw/zinc/19/19/96/586191996.db2.gz ZRZLJTARRHMGEQ-MAUKXSAKSA-N 1 3 347.463 0.773 20 0 ECADHO CNc1nc(N[C@@H]2CCN(C)[C@@H]2C)nc(N[C@@H]2CCN(C)[C@@H]2C)n1 ZINC000895740972 586201434 /nfs/dbraw/zinc/20/14/34/586201434.db2.gz VSIFWKRJTLYNCJ-FDYHWXHSSA-N 1 3 334.472 0.922 20 0 ECADHO CNc1nc(N[C@@H]2CCN(C)[C@@H]2C)nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC000895740972 586201435 /nfs/dbraw/zinc/20/14/35/586201435.db2.gz VSIFWKRJTLYNCJ-FDYHWXHSSA-N 1 3 334.472 0.922 20 0 ECADHO CNc1nc(N[C@@H]2CCN(C)[C@@H]2C)nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC000895740972 586201436 /nfs/dbraw/zinc/20/14/36/586201436.db2.gz VSIFWKRJTLYNCJ-FDYHWXHSSA-N 1 3 334.472 0.922 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000891982458 586211226 /nfs/dbraw/zinc/21/12/26/586211226.db2.gz WLIZISBZSHQKNZ-BHYGNILZSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000891982458 586211228 /nfs/dbraw/zinc/21/12/28/586211228.db2.gz WLIZISBZSHQKNZ-BHYGNILZSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000891982466 586211351 /nfs/dbraw/zinc/21/13/51/586211351.db2.gz WLIZISBZSHQKNZ-XIRDDKMYSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000891982466 586211353 /nfs/dbraw/zinc/21/13/53/586211353.db2.gz WLIZISBZSHQKNZ-XIRDDKMYSA-N 1 3 336.480 0.711 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000896010587 586217375 /nfs/dbraw/zinc/21/73/75/586217375.db2.gz GIYFFWLCDSECCT-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000896010587 586217378 /nfs/dbraw/zinc/21/73/78/586217378.db2.gz GIYFFWLCDSECCT-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)NC[C@H]2CCCCN2CCO)[NH2+]C1 ZINC000892383113 586261660 /nfs/dbraw/zinc/26/16/60/586261660.db2.gz FZMGHULAKNJLBU-LSDHHAIUSA-N 1 3 326.485 0.911 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892435084 586266406 /nfs/dbraw/zinc/26/64/06/586266406.db2.gz URPWZLODARHTFI-HDJSIYSDSA-N 1 3 327.473 0.165 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCO[C@H](C[NH3+])C3)C2)cc1 ZINC000892530697 586271813 /nfs/dbraw/zinc/27/18/13/586271813.db2.gz VFNLYROWORGNIU-IAGOWNOFSA-N 1 3 332.448 0.938 20 0 ECADHO C[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H]1C)CN1CCN(C)CC1 ZINC000893238339 586318885 /nfs/dbraw/zinc/31/88/85/586318885.db2.gz RMVPMRCBRFRVTD-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H](CNC(=O)NCC[N@H+]1CCC[C@H]1C)CN1CCN(C)CC1 ZINC000893238339 586318887 /nfs/dbraw/zinc/31/88/87/586318887.db2.gz RMVPMRCBRFRVTD-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000897447202 586324179 /nfs/dbraw/zinc/32/41/79/586324179.db2.gz NWKKOLFGTIACTR-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000897447202 586324180 /nfs/dbraw/zinc/32/41/80/586324180.db2.gz NWKKOLFGTIACTR-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000897558361 586344742 /nfs/dbraw/zinc/34/47/42/586344742.db2.gz YYPQBPIZQWDBDE-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000897558361 586344746 /nfs/dbraw/zinc/34/47/46/586344746.db2.gz YYPQBPIZQWDBDE-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cn(C)cn1 ZINC000898626177 586439349 /nfs/dbraw/zinc/43/93/49/586439349.db2.gz BSPGGWXZQHBBJA-INIZCTEOSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cn(C)cn1 ZINC000898626177 586439351 /nfs/dbraw/zinc/43/93/51/586439351.db2.gz BSPGGWXZQHBBJA-INIZCTEOSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000899664696 586494233 /nfs/dbraw/zinc/49/42/33/586494233.db2.gz OGXHINOXXZOXCS-BZUAXINKSA-N 1 3 340.537 0.876 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000899664696 586494235 /nfs/dbraw/zinc/49/42/35/586494235.db2.gz OGXHINOXXZOXCS-BZUAXINKSA-N 1 3 340.537 0.876 20 0 ECADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000867324440 589060002 /nfs/dbraw/zinc/06/00/02/589060002.db2.gz ZWZOGMKNUZBPPS-UHFFFAOYSA-N 1 3 326.485 0.633 20 0 ECADHO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500094 586778168 /nfs/dbraw/zinc/77/81/68/586778168.db2.gz SFCFXGYKPIUQPM-KFWWJZLASA-N 1 3 325.453 0.847 20 0 ECADHO OCCN(CCOCC(F)(F)F)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728885 586802869 /nfs/dbraw/zinc/80/28/69/586802869.db2.gz GSQGWZWPARBMHL-QWHCGFSZSA-N 1 3 326.359 0.628 20 0 ECADHO COC(=O)c1cn([C@@H]2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC000903759527 586807485 /nfs/dbraw/zinc/80/74/85/586807485.db2.gz RBUJPLOQBGDFGK-DVOMOZLQSA-N 1 3 335.408 0.080 20 0 ECADHO COC(=O)c1cn([C@@H]2CCCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC000903757694 586812250 /nfs/dbraw/zinc/81/22/50/586812250.db2.gz FNUBCVLMURHWNJ-KEYYUXOJSA-N 1 3 349.435 0.470 20 0 ECADHO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCNCCC23CCOCC3)C1 ZINC000903817609 586816234 /nfs/dbraw/zinc/81/62/34/586816234.db2.gz AMFLGYGREIPTDV-HNNXBMFYSA-N 1 3 345.509 0.503 20 0 ECADHO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCNCCC23CCOCC3)C1 ZINC000903817609 586816237 /nfs/dbraw/zinc/81/62/37/586816237.db2.gz AMFLGYGREIPTDV-HNNXBMFYSA-N 1 3 345.509 0.503 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN(C)C(C)(C)CN2CCOCC2)cnn1C ZINC000903929990 586826405 /nfs/dbraw/zinc/82/64/05/586826405.db2.gz PKXASXXZENOIGS-INIZCTEOSA-N 1 3 337.512 0.889 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@H+](C)C(C)(C)CN2CCOCC2)cnn1C ZINC000903929990 586826407 /nfs/dbraw/zinc/82/64/07/586826407.db2.gz PKXASXXZENOIGS-INIZCTEOSA-N 1 3 337.512 0.889 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@@H+](C)C(C)(C)CN2CCOCC2)cnn1C ZINC000903929990 586826408 /nfs/dbraw/zinc/82/64/08/586826408.db2.gz PKXASXXZENOIGS-INIZCTEOSA-N 1 3 337.512 0.889 20 0 ECADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32CN)CC1 ZINC000905005494 586858102 /nfs/dbraw/zinc/85/81/02/586858102.db2.gz FEFASFCHPFQHSN-CRAIPNDOSA-N 1 3 336.480 0.517 20 0 ECADHO O[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)C1(O)CCC1 ZINC000905079844 586867019 /nfs/dbraw/zinc/86/70/19/586867019.db2.gz KDMCEGFVONPCEU-QGZVFWFLSA-N 1 3 334.464 0.459 20 0 ECADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843488587 589071630 /nfs/dbraw/zinc/07/16/30/589071630.db2.gz GLVYLARECKALCV-YOEHRIQHSA-N 1 3 343.443 0.954 20 0 ECADHO COCC1(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CC[NH2+]CC1 ZINC000844169633 589097814 /nfs/dbraw/zinc/09/78/14/589097814.db2.gz BGWRXMQZEKTZFN-MRXNPFEDSA-N 1 3 339.480 0.762 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844192056 589101773 /nfs/dbraw/zinc/10/17/73/589101773.db2.gz GCYZYGHQWNMLSD-HOTGVXAUSA-N 1 3 326.485 0.145 20 0 ECADHO CO[C@@H](C[NH3+])Cc1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000822951202 587692553 /nfs/dbraw/zinc/69/25/53/587692553.db2.gz MSLVNKWQWMBILE-CQSZACIVSA-N 1 3 346.435 0.790 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000827936711 588147829 /nfs/dbraw/zinc/14/78/29/588147829.db2.gz ULZASPSINWLMGC-YQVWRLOYSA-N 1 3 329.444 0.897 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)N[C@H]3CNCCC3(F)F)C2)C1 ZINC000846178825 589190416 /nfs/dbraw/zinc/19/04/16/589190416.db2.gz XLCUWKODTILQEJ-CRWXNKLISA-N 1 3 346.422 0.912 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CCN1CCCCC1)[NH+]1CCCCC1 ZINC000846723827 589220593 /nfs/dbraw/zinc/22/05/93/589220593.db2.gz BWKUQHKGPZXIFS-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO NC[C@@H]1CC(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)=NO1 ZINC000852796696 589512525 /nfs/dbraw/zinc/51/25/25/589512525.db2.gz SOFOTAHVJPKNEB-LBPRGKRZSA-N 1 3 346.387 0.638 20 0 ECADHO NC[C@H]1CC(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)=NO1 ZINC000852858348 589518775 /nfs/dbraw/zinc/51/87/75/589518775.db2.gz ZOFZVKKXZDPTGM-MRXNPFEDSA-N 1 3 330.432 0.913 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3=NO[C@@H](CN)C3)nc2)CC1 ZINC000852873540 589521053 /nfs/dbraw/zinc/52/10/53/589521053.db2.gz YCMIIOVQFFKJGN-CQSZACIVSA-N 1 3 346.435 0.654 20 0 ECADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852907647 589524437 /nfs/dbraw/zinc/52/44/37/589524437.db2.gz ODEFFCYANXUCCL-JKSUJKDBSA-N 1 3 330.432 0.865 20 0 ECADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852907647 589524439 /nfs/dbraw/zinc/52/44/39/589524439.db2.gz ODEFFCYANXUCCL-JKSUJKDBSA-N 1 3 330.432 0.865 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000852917468 589525860 /nfs/dbraw/zinc/52/58/60/589525860.db2.gz LZRJPPJGSHDCBN-UHFFFAOYSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852930863 589527174 /nfs/dbraw/zinc/52/71/74/589527174.db2.gz OPHGUYWPJDJJOX-ZIAGYGMSSA-N 1 3 346.479 0.666 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCCC[NH+]1CCCC1 ZINC000855695741 589642238 /nfs/dbraw/zinc/64/22/38/589642238.db2.gz TXMAAHNVSKLWAQ-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO CC(C)(C)N1CC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000857841777 589713033 /nfs/dbraw/zinc/71/30/33/589713033.db2.gz FBTPILJIPNUATR-LSDHHAIUSA-N 1 3 336.480 0.800 20 0 ECADHO CC(C)(C)N1CC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000857841777 589713037 /nfs/dbraw/zinc/71/30/37/589713037.db2.gz FBTPILJIPNUATR-LSDHHAIUSA-N 1 3 336.480 0.800 20 0 ECADHO C[Si](C)(CCN1CCNC(=O)CC1)CC[N@@H+]1CCNC(=O)CC1 ZINC000859118380 589800544 /nfs/dbraw/zinc/80/05/44/589800544.db2.gz ARTFWVWQMULGRZ-UHFFFAOYSA-N 1 3 340.544 0.339 20 0 ECADHO C[Si](C)(CCN1CCNC(=O)CC1)CC[N@H+]1CCNC(=O)CC1 ZINC000859118380 589800547 /nfs/dbraw/zinc/80/05/47/589800547.db2.gz ARTFWVWQMULGRZ-UHFFFAOYSA-N 1 3 340.544 0.339 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCC1(C)C ZINC000867741206 589833412 /nfs/dbraw/zinc/83/34/12/589833412.db2.gz WIWPXFDSWNQQCS-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCC1(C)C ZINC000867741206 589833413 /nfs/dbraw/zinc/83/34/13/589833413.db2.gz WIWPXFDSWNQQCS-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])ccc1OCCN(C)C ZINC000861544493 589862604 /nfs/dbraw/zinc/86/26/04/589862604.db2.gz NGLPVQQDJPBVQM-CYBMUJFWSA-N 1 3 336.436 0.680 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000861756482 589888239 /nfs/dbraw/zinc/88/82/39/589888239.db2.gz AFNNPXIEWGAPTL-ZBFHGGJFSA-N 1 3 332.448 0.745 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)CC[C@H]21 ZINC000868309589 589891304 /nfs/dbraw/zinc/89/13/04/589891304.db2.gz LWVDBXDPHBJOGM-WMLDXEAASA-N 1 3 342.443 0.823 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc4c3CCNC4)CC[C@H]21 ZINC000868309589 589891306 /nfs/dbraw/zinc/89/13/06/589891306.db2.gz LWVDBXDPHBJOGM-WMLDXEAASA-N 1 3 342.443 0.823 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CCC1(C)C ZINC000868407063 589902636 /nfs/dbraw/zinc/90/26/36/589902636.db2.gz RNHRRPLYFWJWTL-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000868412991 589903366 /nfs/dbraw/zinc/90/33/66/589903366.db2.gz AVEWTERBXDGRBG-OIISXLGYSA-N 1 3 348.491 0.802 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000868412991 589903368 /nfs/dbraw/zinc/90/33/68/589903368.db2.gz AVEWTERBXDGRBG-OIISXLGYSA-N 1 3 348.491 0.802 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000868519676 589911967 /nfs/dbraw/zinc/91/19/67/589911967.db2.gz DYFLHQFZBKXFIN-IHRRRGAJSA-N 1 3 340.468 0.604 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000868519676 589911969 /nfs/dbraw/zinc/91/19/69/589911969.db2.gz DYFLHQFZBKXFIN-IHRRRGAJSA-N 1 3 340.468 0.604 20 0 ECADHO CN(C)CCN1C[C@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)CC1=O ZINC000871795624 590087020 /nfs/dbraw/zinc/08/70/20/590087020.db2.gz VRFLGSAKFZRTOQ-CPIKKWJDSA-N 1 3 333.436 0.945 20 0 ECADHO CCN1CCC(NC(=O)CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872151802 590098544 /nfs/dbraw/zinc/09/85/44/590098544.db2.gz NHONHMWWDXOQPU-DGCLKSJQSA-N 1 3 336.402 0.656 20 0 ECADHO NC1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC2(CCC2)C1 ZINC000872303655 590112746 /nfs/dbraw/zinc/11/27/46/590112746.db2.gz ASIFIBJUBMZOCX-UPJWGTAASA-N 1 3 334.420 0.042 20 0 ECADHO CCO[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1CCOCC1 ZINC000865177558 590129470 /nfs/dbraw/zinc/12/94/70/590129470.db2.gz KCWCDTDICUPHGI-INIZCTEOSA-N 1 3 329.485 0.770 20 0 ECADHO C[N@@H+]1CCCN(CCCNCc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865450310 590145852 /nfs/dbraw/zinc/14/58/52/590145852.db2.gz KWFQPYBPMWIGCP-QGZVFWFLSA-N 1 3 336.484 0.574 20 0 ECADHO C[N@H+]1CCCN(CCCNCc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865450310 590145853 /nfs/dbraw/zinc/14/58/53/590145853.db2.gz KWFQPYBPMWIGCP-QGZVFWFLSA-N 1 3 336.484 0.574 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC[C@@]23COC(=O)N2CCOC3)cc1 ZINC000865769283 590156656 /nfs/dbraw/zinc/15/66/56/590156656.db2.gz VTQXKWIDCQBPJB-GOSISDBHSA-N 1 3 349.431 0.938 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875220663 590283205 /nfs/dbraw/zinc/28/32/05/590283205.db2.gz SHRWNACKZIIHFI-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875220663 590283206 /nfs/dbraw/zinc/28/32/06/590283206.db2.gz SHRWNACKZIIHFI-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)NCC2([S@](C)=O)CC2)C[C@H]1C[NH+](C)C ZINC000875558996 590309055 /nfs/dbraw/zinc/30/90/55/590309055.db2.gz NXFXVHRPMURQNJ-CSTKLKAISA-N 1 3 344.525 0.278 20 0 ECADHO COCC[N@H+](C)C[C@H](O)CN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879522953 590317272 /nfs/dbraw/zinc/31/72/72/590317272.db2.gz PVTNFXWYFOJTOC-WMZOPIPTSA-N 1 3 337.464 0.581 20 0 ECADHO COCC[N@@H+](C)C[C@H](O)CN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879522953 590317275 /nfs/dbraw/zinc/31/72/75/590317275.db2.gz PVTNFXWYFOJTOC-WMZOPIPTSA-N 1 3 337.464 0.581 20 0 ECADHO COCC[N@H+](C)C[C@@H](O)CN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879522950 590317417 /nfs/dbraw/zinc/31/74/17/590317417.db2.gz PVTNFXWYFOJTOC-AEFFLSMTSA-N 1 3 337.464 0.581 20 0 ECADHO COCC[N@@H+](C)C[C@@H](O)CN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879522950 590317419 /nfs/dbraw/zinc/31/74/19/590317419.db2.gz PVTNFXWYFOJTOC-AEFFLSMTSA-N 1 3 337.464 0.581 20 0 ECADHO COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000876134393 590359960 /nfs/dbraw/zinc/35/99/60/590359960.db2.gz RTDXONCQEDESRJ-KEYYUXOJSA-N 1 3 340.468 0.463 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000876761434 590411080 /nfs/dbraw/zinc/41/10/80/590411080.db2.gz WVZJPALDPUJOOX-HZPDHXFCSA-N 1 3 346.475 0.968 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000877009484 590433307 /nfs/dbraw/zinc/43/33/07/590433307.db2.gz NYMWFMMJLHELGH-MRXNPFEDSA-N 1 3 348.447 0.685 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)c2)nn1 ZINC000877207333 590445136 /nfs/dbraw/zinc/44/51/36/590445136.db2.gz SLFSGTNUBZUMBP-SJLPKXTDSA-N 1 3 340.431 0.732 20 0 ECADHO CC1(C)CC[NH2+][C@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207282 590445406 /nfs/dbraw/zinc/44/54/06/590445406.db2.gz RAEMUEFVUGUATP-HNNXBMFYSA-N 1 3 328.420 0.730 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCn2cnnn2)CC1 ZINC000877969392 590490074 /nfs/dbraw/zinc/49/00/74/590490074.db2.gz ZTNHTIGHSGYHHH-UHFFFAOYSA-N 1 3 337.472 0.233 20 0 ECADHO CC(C)N1CCN(C2CC[NH+](C[C@@H](O)CC(C)(C)O)CC2)CC1 ZINC000878321523 590515617 /nfs/dbraw/zinc/51/56/17/590515617.db2.gz GUHABHBARZENTR-KRWDZBQOSA-N 1 3 327.513 0.999 20 0 ECADHO COCC[N@H+](CCCOC(=O)N=C(N)[O-])CC1CC[NH+](C)CC1 ZINC000879125677 590565701 /nfs/dbraw/zinc/56/57/01/590565701.db2.gz GCGQBYSGUGQBSZ-UHFFFAOYSA-N 1 3 330.429 0.472 20 0 ECADHO COCC[N@@H+](CCCOC(=O)N=C(N)[O-])CC1CC[NH+](C)CC1 ZINC000879125677 590565703 /nfs/dbraw/zinc/56/57/03/590565703.db2.gz GCGQBYSGUGQBSZ-UHFFFAOYSA-N 1 3 330.429 0.472 20 0 ECADHO COCC[N@H+](CCCOC([O-])=NC(N)=O)CC1CC[NH+](C)CC1 ZINC000879125677 590565705 /nfs/dbraw/zinc/56/57/05/590565705.db2.gz GCGQBYSGUGQBSZ-UHFFFAOYSA-N 1 3 330.429 0.472 20 0 ECADHO COCC[N@@H+](CCCOC([O-])=NC(N)=O)CC1CC[NH+](C)CC1 ZINC000879125677 590565706 /nfs/dbraw/zinc/56/57/06/590565706.db2.gz GCGQBYSGUGQBSZ-UHFFFAOYSA-N 1 3 330.429 0.472 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1c1ccncc1 ZINC000883639642 590637771 /nfs/dbraw/zinc/63/77/71/590637771.db2.gz VHPBWYXQRGAVBC-KBPBESRZSA-N 1 3 331.420 0.068 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884876610 590639193 /nfs/dbraw/zinc/63/91/93/590639193.db2.gz HXJAEOKGBXGFPH-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966589 590656886 /nfs/dbraw/zinc/65/68/86/590656886.db2.gz OAVAHSQVYCIYJG-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884973739 590659379 /nfs/dbraw/zinc/65/93/79/590659379.db2.gz DOHOKZZFKGJZQE-CABCVRRESA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000884975847 590659537 /nfs/dbraw/zinc/65/95/37/590659537.db2.gz HMUVUIOASNGVJB-INIZCTEOSA-N 1 3 338.496 0.953 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885292209 590706113 /nfs/dbraw/zinc/70/61/13/590706113.db2.gz SAKNEFIBKLTICO-CYBMUJFWSA-N 1 3 346.422 0.292 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)n1 ZINC000885888784 590778425 /nfs/dbraw/zinc/77/84/25/590778425.db2.gz PZYWWGKHGQOQMF-HNNXBMFYSA-N 1 3 335.452 0.428 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000884244157 590787567 /nfs/dbraw/zinc/78/75/67/590787567.db2.gz ZIDIIZFXZHYVMS-UHFFFAOYSA-N 1 3 329.448 0.707 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884300992 590799231 /nfs/dbraw/zinc/79/92/31/590799231.db2.gz MFVBQNZIYUWJNS-SJORKVTESA-N 1 3 343.475 0.953 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000884502382 590844583 /nfs/dbraw/zinc/84/45/83/590844583.db2.gz IYUAIOPLKBLSQW-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCC1 ZINC000884529006 590851221 /nfs/dbraw/zinc/85/12/21/590851221.db2.gz CSZCYICYGVFZOX-KRWDZBQOSA-N 1 3 338.496 0.810 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884618293 590873732 /nfs/dbraw/zinc/87/37/32/590873732.db2.gz ZWQOOTSAGAPXAU-QKPAOTATSA-N 1 3 336.480 0.624 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCNCCC12CCC2 ZINC000884627417 590877028 /nfs/dbraw/zinc/87/70/28/590877028.db2.gz PEHSCAZRYPTGAA-AWEZNQCLSA-N 1 3 334.464 0.332 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCNCCC12CCC2 ZINC000884627417 590877030 /nfs/dbraw/zinc/87/70/30/590877030.db2.gz PEHSCAZRYPTGAA-AWEZNQCLSA-N 1 3 334.464 0.332 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000884664373 590885910 /nfs/dbraw/zinc/88/59/10/590885910.db2.gz JYEGQOBCAPUEST-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CCN1c1ccncc1 ZINC000884676661 590890160 /nfs/dbraw/zinc/89/01/60/590890160.db2.gz TVSUSHIWDUILDN-CQSZACIVSA-N 1 3 345.447 0.377 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000884680923 590891835 /nfs/dbraw/zinc/89/18/35/590891835.db2.gz FUIAUKOQIVVECT-HUUCEWRRSA-N 1 3 345.447 0.235 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000884684495 590893256 /nfs/dbraw/zinc/89/32/56/590893256.db2.gz HJOWOXDCMVWYPK-NVXWUHKLSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000884691901 590898400 /nfs/dbraw/zinc/89/84/00/590898400.db2.gz XJYWYERNHNKBFA-LSDHHAIUSA-N 1 3 345.447 0.235 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884703060 590901643 /nfs/dbraw/zinc/90/16/43/590901643.db2.gz QVDWMGUJXXANKJ-HIFRSBDPSA-N 1 3 333.436 0.218 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000884704867 590902573 /nfs/dbraw/zinc/90/25/73/590902573.db2.gz WNVHJKQJALHMPX-NVXWUHKLSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CCN1c1ccncc1 ZINC000884715666 590905920 /nfs/dbraw/zinc/90/59/20/590905920.db2.gz AMPQGHLRQQBDHX-LSDHHAIUSA-N 1 3 345.447 0.377 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CCN1c1ccncc1 ZINC000884750735 590915111 /nfs/dbraw/zinc/91/51/11/590915111.db2.gz GFWBTLBCNGTQQZ-CQSZACIVSA-N 1 3 345.447 0.364 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000884776221 590920296 /nfs/dbraw/zinc/92/02/96/590920296.db2.gz PGACYGCYXSZKHT-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000884782700 590921420 /nfs/dbraw/zinc/92/14/20/590921420.db2.gz KHKPEINWISNEQC-GDBMZVCRSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884785750 590922604 /nfs/dbraw/zinc/92/26/04/590922604.db2.gz DDZBXYYSFKAYMV-RVKKMQEKSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884785649 590922793 /nfs/dbraw/zinc/92/27/93/590922793.db2.gz BRLUMPVYFCAIHW-ARFHVFGLSA-N 1 3 336.480 0.576 20 0 ECADHO CCN(C(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000887068357 590936621 /nfs/dbraw/zinc/93/66/21/590936621.db2.gz JZVBWNDRBVZYJV-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000887091273 590941847 /nfs/dbraw/zinc/94/18/47/590941847.db2.gz GGNZHJBKVBEBRI-VNSJNIRKSA-N 1 3 343.431 0.068 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000887091764 590943016 /nfs/dbraw/zinc/94/30/16/590943016.db2.gz VSSNAAWODBFDOP-KGLIPLIRSA-N 1 3 331.420 0.068 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000887091695 590943215 /nfs/dbraw/zinc/94/32/15/590943215.db2.gz SZYAIACBNGBROG-CQSZACIVSA-N 1 3 345.447 0.459 20 0 ECADHO COC(=O)CN(C)C(=O)CCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132851 590946574 /nfs/dbraw/zinc/94/65/74/590946574.db2.gz OQPLJKMKAIQIFU-CQSZACIVSA-N 1 3 334.420 0.614 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000887753883 590999426 /nfs/dbraw/zinc/99/94/26/590999426.db2.gz PJOHNPLSAUZTSB-RBSFLKMASA-N 1 3 337.468 0.375 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000887753883 590999429 /nfs/dbraw/zinc/99/94/29/590999429.db2.gz PJOHNPLSAUZTSB-RBSFLKMASA-N 1 3 337.468 0.375 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(Cc2ccnc(OCC[NH+](C)C)c2)C1=O ZINC000924754350 611427785 /nfs/dbraw/zinc/42/77/85/611427785.db2.gz UYLJDBVITMETQX-ZDUSSCGKSA-N 1 3 335.408 0.004 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000930754635 611460812 /nfs/dbraw/zinc/46/08/12/611460812.db2.gz CYSBVQZWWPZGBB-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO Cn1ccn2c(CCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)nnc2c1=O ZINC000925773418 611499624 /nfs/dbraw/zinc/49/96/24/611499624.db2.gz NIXQUQXUJWQQJY-RBSFLKMASA-N 1 3 344.463 0.871 20 0 ECADHO Cc1cccc(NCCNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000927484430 611606633 /nfs/dbraw/zinc/60/66/33/611606633.db2.gz VBQIWUJBTBAJOG-GJZGRUSLSA-N 1 3 335.452 0.898 20 0 ECADHO Cc1cccc(NCCNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000927484430 611606634 /nfs/dbraw/zinc/60/66/34/611606634.db2.gz VBQIWUJBTBAJOG-GJZGRUSLSA-N 1 3 335.452 0.898 20 0 ECADHO C[NH+]1CCC(NC(=O)CN[C@@](C)(CO)Cc2ccc(F)cc2)CC1 ZINC000933440693 608753618 /nfs/dbraw/zinc/75/36/18/608753618.db2.gz FVFLMPCBPAYLKH-GOSISDBHSA-N 1 3 337.439 0.919 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000937485907 608814791 /nfs/dbraw/zinc/81/47/91/608814791.db2.gz BMXAFMVOIHHKBW-HNNXBMFYSA-N 1 3 345.447 0.545 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)CC[N@@H+]1CCn1cncn1 ZINC000947726216 608969624 /nfs/dbraw/zinc/96/96/24/608969624.db2.gz KTNHZROABKQYPW-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)CC[N@H+]1CCn1cncn1 ZINC000947726216 608969625 /nfs/dbraw/zinc/96/96/25/608969625.db2.gz KTNHZROABKQYPW-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO O=S1(=O)CCNC[C@@H]1CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925789761 608969629 /nfs/dbraw/zinc/96/96/29/608969629.db2.gz XKPUJXSOPBJQBB-HRCADAONSA-N 1 3 329.510 0.521 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000920421821 609681864 /nfs/dbraw/zinc/68/18/64/609681864.db2.gz RJWMJLCCWPYYMM-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000920421821 609681867 /nfs/dbraw/zinc/68/18/67/609681867.db2.gz RJWMJLCCWPYYMM-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000910970276 609785636 /nfs/dbraw/zinc/78/56/36/609785636.db2.gz KCTJYHMEOVZWCO-PVAVHDDUSA-N 1 3 346.475 0.247 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N(C)Cc1ccccc1 ZINC000911010170 609793925 /nfs/dbraw/zinc/79/39/25/609793925.db2.gz WQXKMJNALIPOIJ-XLNGHYISSA-N 1 3 344.459 0.632 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000911324655 609847781 /nfs/dbraw/zinc/84/77/81/609847781.db2.gz IUOPVKHAFLUOON-BASYENTBSA-N 1 3 334.464 0.459 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000911324341 609847948 /nfs/dbraw/zinc/84/79/48/609847948.db2.gz APKOZDFJPPSVNZ-WFXMFSGNSA-N 1 3 348.491 0.849 20 0 ECADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914111208 609854106 /nfs/dbraw/zinc/85/41/06/609854106.db2.gz WVWQKNSASNKMCX-PMPSAXMXSA-N 1 3 327.494 0.971 20 0 ECADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914111208 609854108 /nfs/dbraw/zinc/85/41/08/609854108.db2.gz WVWQKNSASNKMCX-PMPSAXMXSA-N 1 3 327.494 0.971 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000911366839 609862690 /nfs/dbraw/zinc/86/26/90/609862690.db2.gz HFGLWNQFTPAIRN-GFCCVEGCSA-N 1 3 346.422 0.196 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911395259 609866334 /nfs/dbraw/zinc/86/63/34/609866334.db2.gz LKNQYIRFZONEER-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911517077 609889569 /nfs/dbraw/zinc/88/95/69/609889569.db2.gz GRBCNVLDWFCLOI-IAGOWNOFSA-N 1 3 344.459 0.716 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCCCN1CCN(C)CC1 ZINC000915126274 609905532 /nfs/dbraw/zinc/90/55/32/609905532.db2.gz ZSLGAZMPKAJFPK-INIZCTEOSA-N 1 3 341.569 0.962 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCCCCN1CCN(C)CC1 ZINC000915126274 609905534 /nfs/dbraw/zinc/90/55/34/609905534.db2.gz ZSLGAZMPKAJFPK-INIZCTEOSA-N 1 3 341.569 0.962 20 0 ECADHO CN1CCNC[C@@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000911745608 609909045 /nfs/dbraw/zinc/90/90/45/609909045.db2.gz QXMKHEQLLXWVBG-HZPDHXFCSA-N 1 3 346.431 0.438 20 0 ECADHO COC(OC)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500328 609914613 /nfs/dbraw/zinc/91/46/13/609914613.db2.gz JYJFXWLIWNOYHD-ZDUSSCGKSA-N 1 3 342.484 0.852 20 0 ECADHO CC(C)[C@@H]1CN(C)CCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000153668716 609918519 /nfs/dbraw/zinc/91/85/19/609918519.db2.gz PPRBTLWZAWNHHJ-AWEZNQCLSA-N 1 3 337.468 0.232 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)CCC1 ZINC000938681129 609936264 /nfs/dbraw/zinc/93/62/64/609936264.db2.gz FSZBDYZPYHVESA-HNNXBMFYSA-N 1 3 348.491 0.626 20 0 ECADHO CN(CCO)CCN(C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000912606754 609977448 /nfs/dbraw/zinc/97/74/48/609977448.db2.gz XAUGRXSQQXEGER-GOSISDBHSA-N 1 3 335.448 0.006 20 0 ECADHO CN(CCO)CCN(C)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000912606754 609977450 /nfs/dbraw/zinc/97/74/50/609977450.db2.gz XAUGRXSQQXEGER-GOSISDBHSA-N 1 3 335.448 0.006 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000940756125 610358284 /nfs/dbraw/zinc/35/82/84/610358284.db2.gz NGNZPFOIDCUCRO-KLHDSHLOSA-N 1 3 338.496 0.630 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000940756125 610358287 /nfs/dbraw/zinc/35/82/87/610358287.db2.gz NGNZPFOIDCUCRO-KLHDSHLOSA-N 1 3 338.496 0.630 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000940952016 610444956 /nfs/dbraw/zinc/44/49/56/610444956.db2.gz IHVKUPLKOJRYCL-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000940952016 610444958 /nfs/dbraw/zinc/44/49/58/610444958.db2.gz IHVKUPLKOJRYCL-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO CN(CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000941672957 610446584 /nfs/dbraw/zinc/44/65/84/610446584.db2.gz DKMMCJAPPVCTMO-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000941672957 610446585 /nfs/dbraw/zinc/44/65/85/610446585.db2.gz DKMMCJAPPVCTMO-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000942878001 610661258 /nfs/dbraw/zinc/66/12/58/610661258.db2.gz PNYBGMVEIBIVGG-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CN(CCN2CCCC2=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171485 610764585 /nfs/dbraw/zinc/76/45/85/610764585.db2.gz XSOCLYSDCGFJPO-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000944295394 610815244 /nfs/dbraw/zinc/81/52/44/610815244.db2.gz MLXRZVUTYIKDRO-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000944328250 610838981 /nfs/dbraw/zinc/83/89/81/610838981.db2.gz CZYWXOAQBSACKB-HZPDHXFCSA-N 1 3 345.447 0.401 20 0 ECADHO NCC(C[NH3+])NC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923356933 611233659 /nfs/dbraw/zinc/23/36/59/611233659.db2.gz QVMVCIBCZVDEEM-NSHDSACASA-N 1 3 336.205 0.204 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000923282446 611224198 /nfs/dbraw/zinc/22/41/98/611224198.db2.gz WEGQRZGUSCZQFC-IAQYHMDHSA-N 1 3 327.375 0.785 20 0 ECADHO Cn1nncc1CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946892848 611231567 /nfs/dbraw/zinc/23/15/67/611231567.db2.gz OTLNAPGLPWBAKD-XHSDSOJGSA-N 1 3 346.479 0.437 20 0 ECADHO Cn1nncc1CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946892848 611231568 /nfs/dbraw/zinc/23/15/68/611231568.db2.gz OTLNAPGLPWBAKD-XHSDSOJGSA-N 1 3 346.479 0.437 20 0 ECADHO COc1cccc(OC)c1OC[C@@H](O)CN1CCC(O)(C[NH3+])CC1 ZINC000923380767 611235929 /nfs/dbraw/zinc/23/59/29/611235929.db2.gz ICVJJOUQBVGFNJ-ZDUSSCGKSA-N 1 3 340.420 0.229 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923498876 611251770 /nfs/dbraw/zinc/25/17/70/611251770.db2.gz QNGQQTOYWRWUIV-YESZJQIVSA-N 1 3 340.512 0.376 20 0 ECADHO CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923498529 611252209 /nfs/dbraw/zinc/25/22/09/611252209.db2.gz OMNMYMLWLQYSGE-KBPBESRZSA-N 1 3 340.468 0.640 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923611925 611329227 /nfs/dbraw/zinc/32/92/27/611329227.db2.gz ZDAPWYSEPBMEIX-CVEARBPZSA-N 1 3 344.525 0.723 20 0 ECADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923611925 611329228 /nfs/dbraw/zinc/32/92/28/611329228.db2.gz ZDAPWYSEPBMEIX-CVEARBPZSA-N 1 3 344.525 0.723 20 0 ECADHO COCCN(CC1CCN(C)CC1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923662851 611338090 /nfs/dbraw/zinc/33/80/90/611338090.db2.gz SNKWLDKBDXRIPQ-OAHLLOKOSA-N 1 3 333.498 0.358 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000933849189 611753276 /nfs/dbraw/zinc/75/32/76/611753276.db2.gz FZKCPZYXAYCTBM-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)CCn1cc(NC(=O)COC2CC[NH+](C)CC2)ccc1=O ZINC000935084006 611841549 /nfs/dbraw/zinc/84/15/49/611841549.db2.gz AFTYBBLABURBLD-UHFFFAOYSA-N 1 3 336.436 0.459 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC000949184468 611892956 /nfs/dbraw/zinc/89/29/56/611892956.db2.gz MROMIKRAXIQOHW-UXIGCNINSA-N 1 3 333.436 0.175 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC000949184468 611892957 /nfs/dbraw/zinc/89/29/57/611892957.db2.gz MROMIKRAXIQOHW-UXIGCNINSA-N 1 3 333.436 0.175 20 0 ECADHO CC[C@@H](C(=O)N1CCOC2(CC[NH+](C[C@@H](C)O)CC2)C1)N(C)C ZINC000949191543 611895078 /nfs/dbraw/zinc/89/50/78/611895078.db2.gz OXARVCDXJDFMII-CABCVRRESA-N 1 3 327.469 0.401 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000950385793 611993937 /nfs/dbraw/zinc/99/39/37/611993937.db2.gz AJPPBROQQAKDQZ-GDBMZVCRSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951237761 612096242 /nfs/dbraw/zinc/09/62/42/612096242.db2.gz DQHRKJUIOFCVQI-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000954496293 612330345 /nfs/dbraw/zinc/33/03/45/612330345.db2.gz QEEVXHWLINJTTD-CVEARBPZSA-N 1 3 338.496 0.870 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000954496293 612330349 /nfs/dbraw/zinc/33/03/49/612330349.db2.gz QEEVXHWLINJTTD-CVEARBPZSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000955342516 612468142 /nfs/dbraw/zinc/46/81/42/612468142.db2.gz XRXAZPIOKOYRNC-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000955342516 612468144 /nfs/dbraw/zinc/46/81/44/612468144.db2.gz XRXAZPIOKOYRNC-GJZGRUSLSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000954661855 612508132 /nfs/dbraw/zinc/50/81/32/612508132.db2.gz RFSXITHAALTZDE-MRXNPFEDSA-N 1 3 338.496 0.584 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC000954704371 612569585 /nfs/dbraw/zinc/56/95/85/612569585.db2.gz CGOZJLGCYUBWIA-HOCLYGCPSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC000954704371 612569591 /nfs/dbraw/zinc/56/95/91/612569591.db2.gz CGOZJLGCYUBWIA-HOCLYGCPSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000955443417 612590250 /nfs/dbraw/zinc/59/02/50/612590250.db2.gz FZXDTXQHZURHLV-HIFRSBDPSA-N 1 3 347.463 0.742 20 0 ECADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954815643 612709534 /nfs/dbraw/zinc/70/95/34/612709534.db2.gz UTNVMZAEOLVHHL-SFHVURJKSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000954325286 612856620 /nfs/dbraw/zinc/85/66/20/612856620.db2.gz FQBQDOYVSHOXNS-DOTOQJQBSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000954325286 612856621 /nfs/dbraw/zinc/85/66/21/612856621.db2.gz FQBQDOYVSHOXNS-DOTOQJQBSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000954325287 612856869 /nfs/dbraw/zinc/85/68/69/612856869.db2.gz FQBQDOYVSHOXNS-NVXWUHKLSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000954325287 612856872 /nfs/dbraw/zinc/85/68/72/612856872.db2.gz FQBQDOYVSHOXNS-NVXWUHKLSA-N 1 3 348.491 0.768 20 0 ECADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc3c(nn2)CCNC3)C1 ZINC001164731204 720519356 /nfs/dbraw/zinc/51/93/56/720519356.db2.gz UYHIZYHZLCYCSZ-ZDUSSCGKSA-N 1 3 327.436 0.517 20 0 ECADHO O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H](NCc2ccccn2)C1 ZINC000969407552 731814364 /nfs/dbraw/zinc/81/43/64/731814364.db2.gz KBFTZTHGTSNRGG-WSIVYLHMSA-N 1 3 342.443 0.635 20 0 ECADHO O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@@H](NCc2ccccn2)C1 ZINC000969407552 731814367 /nfs/dbraw/zinc/81/43/67/731814367.db2.gz KBFTZTHGTSNRGG-WSIVYLHMSA-N 1 3 342.443 0.635 20 0 ECADHO CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H](C2CC2)N(C)C)CCCCC1 ZINC001115572981 731878818 /nfs/dbraw/zinc/87/88/18/731878818.db2.gz CHGQXEVWEGDQEW-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNCc2cnnn2C)C1 ZINC001025085302 738623292 /nfs/dbraw/zinc/62/32/92/738623292.db2.gz OKSMCHBVJRUHLN-HUUCEWRRSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNCc2cnnn2C)C1 ZINC001025085302 738623295 /nfs/dbraw/zinc/62/32/95/738623295.db2.gz OKSMCHBVJRUHLN-HUUCEWRRSA-N 1 3 334.468 0.628 20 0 ECADHO C[NH+](C)CCOCC(=O)N1CCC(N(C/C=C\Cl)CCO)CC1 ZINC001098533046 733060543 /nfs/dbraw/zinc/06/05/43/733060543.db2.gz QCQWUHQGPMPIHX-UTCJRWHESA-N 1 3 347.887 0.602 20 0 ECADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1)C(=O)N(C)C ZINC001167225723 733069460 /nfs/dbraw/zinc/06/94/60/733069460.db2.gz YJENJJAWOMHXQK-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC001167232686 733077028 /nfs/dbraw/zinc/07/70/28/733077028.db2.gz MGQRRHRTIDBDAK-LSDHHAIUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC001167232683 733077518 /nfs/dbraw/zinc/07/75/18/733077518.db2.gz MGQRRHRTIDBDAK-CABCVRRESA-N 1 3 336.480 0.483 20 0 ECADHO CC1CCN(C(=O)CN[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000970712766 733857110 /nfs/dbraw/zinc/85/71/10/733857110.db2.gz ROQAITDGRHXXCG-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(C(=O)CN[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000970712766 733857113 /nfs/dbraw/zinc/85/71/13/733857113.db2.gz ROQAITDGRHXXCG-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000970712274 733859671 /nfs/dbraw/zinc/85/96/71/733859671.db2.gz LKLRSZIXLQLGPG-JKSUJKDBSA-N 1 3 330.432 0.428 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000970712274 733859674 /nfs/dbraw/zinc/85/96/74/733859674.db2.gz LKLRSZIXLQLGPG-JKSUJKDBSA-N 1 3 330.432 0.428 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC000970714740 733863551 /nfs/dbraw/zinc/86/35/51/733863551.db2.gz JUEWVIONWYUWKT-QWHCGFSZSA-N 1 3 335.404 0.291 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000970714740 733863554 /nfs/dbraw/zinc/86/35/54/733863554.db2.gz JUEWVIONWYUWKT-QWHCGFSZSA-N 1 3 335.404 0.291 20 0 ECADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)on1 ZINC000970727329 733878178 /nfs/dbraw/zinc/87/81/78/733878178.db2.gz HRSWWFUFVGWQMB-DZGCQCFKSA-N 1 3 336.436 0.642 20 0 ECADHO CCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210789645 734004560 /nfs/dbraw/zinc/00/45/60/734004560.db2.gz PQSNXQKCNMVSKN-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970866982 734026875 /nfs/dbraw/zinc/02/68/75/734026875.db2.gz AMRVAVYTRQNCLP-ZFWWWQNUSA-N 1 3 332.448 0.274 20 0 ECADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970866982 734026878 /nfs/dbraw/zinc/02/68/78/734026878.db2.gz AMRVAVYTRQNCLP-ZFWWWQNUSA-N 1 3 332.448 0.274 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC000971204516 734358006 /nfs/dbraw/zinc/35/80/06/734358006.db2.gz LQSTUQLEGRUFFU-JKSUJKDBSA-N 1 3 334.468 0.522 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC000971204516 734358007 /nfs/dbraw/zinc/35/80/07/734358007.db2.gz LQSTUQLEGRUFFU-JKSUJKDBSA-N 1 3 334.468 0.522 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C1 ZINC001104362881 734723864 /nfs/dbraw/zinc/72/38/64/734723864.db2.gz NSORRVLLJILDMT-MGPQQGTHSA-N 1 3 326.485 0.665 20 0 ECADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971544001 734736917 /nfs/dbraw/zinc/73/69/17/734736917.db2.gz VOXINJDTTHPPHB-IAGOWNOFSA-N 1 3 331.464 0.758 20 0 ECADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971544002 734736955 /nfs/dbraw/zinc/73/69/55/734736955.db2.gz VOXINJDTTHPPHB-IRXDYDNUSA-N 1 3 331.464 0.758 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1)[NH+](C)C ZINC000971736947 735010551 /nfs/dbraw/zinc/01/05/51/735010551.db2.gz ULXZZNZWWJKLEC-CABCVRRESA-N 1 3 339.484 0.131 20 0 ECADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167626782 736147404 /nfs/dbraw/zinc/14/74/04/736147404.db2.gz HGNJCHLSWZYGFF-HNNXBMFYSA-N 1 3 326.485 0.870 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC([N@H+](CCO)C[C@H]2CCOC2)CC1 ZINC001098572630 736285760 /nfs/dbraw/zinc/28/57/60/736285760.db2.gz RRFKEHONCXZPQO-MRXNPFEDSA-N 1 3 341.496 0.648 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](CCO)C[C@H]2CCOC2)CC1 ZINC001098572630 736285765 /nfs/dbraw/zinc/28/57/65/736285765.db2.gz RRFKEHONCXZPQO-MRXNPFEDSA-N 1 3 341.496 0.648 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001023122964 736516991 /nfs/dbraw/zinc/51/69/91/736516991.db2.gz LKXVGXKWUUZCGS-NXNVCVFFSA-N 1 3 346.475 0.995 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023572690 737024815 /nfs/dbraw/zinc/02/48/15/737024815.db2.gz LFJRIDSNPJDKGA-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972739694 737577944 /nfs/dbraw/zinc/57/79/44/737577944.db2.gz HCYTYIJYFZDCMH-HNNXBMFYSA-N 1 3 334.464 0.237 20 0 ECADHO CN(CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001024017175 737620058 /nfs/dbraw/zinc/62/00/58/737620058.db2.gz BHXJWLFCJZJIMP-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H](CNCc2cn(C)nn2)C1)[NH+](C)C ZINC001024026689 737640197 /nfs/dbraw/zinc/64/01/97/737640197.db2.gz GZMNJPVVTXELGL-ZBFHGGJFSA-N 1 3 336.484 0.730 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001024155914 737782596 /nfs/dbraw/zinc/78/25/96/737782596.db2.gz DITICRZVSCLOBV-GJZGRUSLSA-N 1 3 334.468 0.628 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024180435 737801841 /nfs/dbraw/zinc/80/18/41/737801841.db2.gz XLIYCEJYESYQPA-ZFWWWQNUSA-N 1 3 333.436 0.401 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024237963 737844919 /nfs/dbraw/zinc/84/49/19/737844919.db2.gz XODVTHHFFSMSQI-LSDHHAIUSA-N 1 3 334.468 0.485 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024237963 737844927 /nfs/dbraw/zinc/84/49/27/737844927.db2.gz XODVTHHFFSMSQI-LSDHHAIUSA-N 1 3 334.468 0.485 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001024238102 737845194 /nfs/dbraw/zinc/84/51/94/737845194.db2.gz HWRHPTQLAOAQIK-OAHLLOKOSA-N 1 3 346.479 0.722 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CCCCN2CCCO)n1 ZINC001024441282 737976553 /nfs/dbraw/zinc/97/65/53/737976553.db2.gz CQJIFYYOBOBZOA-OAHLLOKOSA-N 1 3 337.468 0.411 20 0 ECADHO CC[C@H](C(=O)N1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001006456256 751404762 /nfs/dbraw/zinc/40/47/62/751404762.db2.gz KTJCMUHIWVYBNT-DZGCQCFKSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000973313010 739089937 /nfs/dbraw/zinc/08/99/37/739089937.db2.gz ZXBWKPLQWFDTOC-HJWJTTGWSA-N 1 3 348.491 0.576 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000973423426 739251296 /nfs/dbraw/zinc/25/12/96/739251296.db2.gz NRYBTJUGRXMNLL-FVQBIDKESA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104676391 739457183 /nfs/dbraw/zinc/45/71/83/739457183.db2.gz IBXWAFXBJKUEEV-OWCLPIDISA-N 1 3 348.495 0.874 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000973614853 739586904 /nfs/dbraw/zinc/58/69/04/739586904.db2.gz NKNZKLJHHWEWJP-WYQXTGKHSA-N 1 3 345.447 0.542 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000973614853 739586911 /nfs/dbraw/zinc/58/69/11/739586911.db2.gz NKNZKLJHHWEWJP-WYQXTGKHSA-N 1 3 345.447 0.542 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025809048 739976841 /nfs/dbraw/zinc/97/68/41/739976841.db2.gz VCNYNSIHZUBELB-DMRKSPOLSA-N 1 3 348.491 0.528 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025809048 739976846 /nfs/dbraw/zinc/97/68/46/739976846.db2.gz VCNYNSIHZUBELB-DMRKSPOLSA-N 1 3 348.491 0.528 20 0 ECADHO CCOC(=O)c1nc2cnccc2c(NC(=N)NCCCC[NH3+])n1 ZINC001167878166 751507930 /nfs/dbraw/zinc/50/79/30/751507930.db2.gz PDFTZUWUBHBSPM-UHFFFAOYSA-N 1 3 331.380 0.299 20 0 ECADHO CC1CC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001025908383 740214964 /nfs/dbraw/zinc/21/49/64/740214964.db2.gz FDDXMBURBDZLOO-AUYZAAMSSA-N 1 3 345.487 0.942 20 0 ECADHO CC1CC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001025908383 740214967 /nfs/dbraw/zinc/21/49/67/740214967.db2.gz FDDXMBURBDZLOO-AUYZAAMSSA-N 1 3 345.487 0.942 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001026140087 740410218 /nfs/dbraw/zinc/41/02/18/740410218.db2.gz HFNVBHZNLYGPDG-ALYAQQCSSA-N 1 3 346.479 0.445 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4cnnn4C)[C@H]3C2)CCC1 ZINC001026283783 740743996 /nfs/dbraw/zinc/74/39/96/740743996.db2.gz MTMVSBGFQKLMSI-CWRNSKLLSA-N 1 3 346.479 0.626 20 0 ECADHO Cn1ncc(CN[C@H]2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)n1 ZINC001026349192 740987616 /nfs/dbraw/zinc/98/76/16/740987616.db2.gz XLRSJWZLTRRRMH-XIRDDKMYSA-N 1 3 346.479 0.484 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000974148241 741008285 /nfs/dbraw/zinc/00/82/85/741008285.db2.gz OQHONFYMCULAOT-LVQVYYBASA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000974148241 741008289 /nfs/dbraw/zinc/00/82/89/741008289.db2.gz OQHONFYMCULAOT-LVQVYYBASA-N 1 3 336.480 0.576 20 0 ECADHO Cn1nccc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC001026365338 741066579 /nfs/dbraw/zinc/06/65/79/741066579.db2.gz VGTPXJRILLWEFC-VBNZEHGJSA-N 1 3 328.420 0.713 20 0 ECADHO O=C(N1CC2(C1)CCCN(CCn1cncn1)C2)C12CC[NH+](CC1)C2 ZINC000982120165 751613120 /nfs/dbraw/zinc/61/31/20/751613120.db2.gz NYOOBIWCNCCOBP-UHFFFAOYSA-N 1 3 344.463 0.298 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001105243693 741542619 /nfs/dbraw/zinc/54/26/19/741542619.db2.gz GGOAMRCPXUQFRY-GOEBONIOSA-N 1 3 348.451 0.024 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001105243693 741542624 /nfs/dbraw/zinc/54/26/24/741542624.db2.gz GGOAMRCPXUQFRY-GOEBONIOSA-N 1 3 348.451 0.024 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001026598391 741596315 /nfs/dbraw/zinc/59/63/15/741596315.db2.gz DYTWNSKRWDZLPB-WXRRBKDZSA-N 1 3 347.419 0.083 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)nn1 ZINC001026734238 741738674 /nfs/dbraw/zinc/73/86/74/741738674.db2.gz LRBPIOBETWZTEZ-DZGCQCFKSA-N 1 3 333.436 0.518 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105326973 741805863 /nfs/dbraw/zinc/80/58/63/741805863.db2.gz NMMAJEXUKBDELM-DYVFJYSZSA-N 1 3 346.479 0.749 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105326973 741805866 /nfs/dbraw/zinc/80/58/66/741805866.db2.gz NMMAJEXUKBDELM-DYVFJYSZSA-N 1 3 346.479 0.749 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC001026887975 742045510 /nfs/dbraw/zinc/04/55/10/742045510.db2.gz YWXLGZVTPZIBMI-CRAIPNDOSA-N 1 3 346.475 0.664 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)nn1 ZINC001027064756 742434913 /nfs/dbraw/zinc/43/49/13/742434913.db2.gz KBZQYXSXHRHCIE-GJZGRUSLSA-N 1 3 347.463 0.765 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001027139537 742719593 /nfs/dbraw/zinc/71/95/93/742719593.db2.gz LBGTVSGGFMAULV-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(NC[C@@H]1CCN(CCO[C@H]2CC2(F)F)C1)C12CC[NH+](CC1)C2 ZINC001028931665 742896497 /nfs/dbraw/zinc/89/64/97/742896497.db2.gz VGUHQWVHTHZXAT-KBPBESRZSA-N 1 3 343.418 0.945 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170240 742962711 /nfs/dbraw/zinc/96/27/11/742962711.db2.gz GBMNNCKNFUZFJM-LSDHHAIUSA-N 1 3 347.463 0.765 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170240 742962715 /nfs/dbraw/zinc/96/27/15/742962715.db2.gz GBMNNCKNFUZFJM-LSDHHAIUSA-N 1 3 347.463 0.765 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)n1 ZINC000997003528 743115906 /nfs/dbraw/zinc/11/59/06/743115906.db2.gz BPTIIQAYSAXAGI-CQSZACIVSA-N 1 3 348.495 0.817 20 0 ECADHO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC001027217118 743193126 /nfs/dbraw/zinc/19/31/26/743193126.db2.gz FMIJELVWGGJUTF-MRXNPFEDSA-N 1 3 332.448 0.419 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001027217627 743194565 /nfs/dbraw/zinc/19/45/65/743194565.db2.gz NJLIITZVKJFAFK-AWEZNQCLSA-N 1 3 333.436 0.519 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000997237965 743390386 /nfs/dbraw/zinc/39/03/86/743390386.db2.gz MGUIWYAOJSLAGU-CQSZACIVSA-N 1 3 347.463 0.566 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000997237965 743390394 /nfs/dbraw/zinc/39/03/94/743390394.db2.gz MGUIWYAOJSLAGU-CQSZACIVSA-N 1 3 347.463 0.566 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000997242372 743396410 /nfs/dbraw/zinc/39/64/10/743396410.db2.gz GUACHPCNZDZPRB-AWEZNQCLSA-N 1 3 333.436 0.462 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000997242372 743396420 /nfs/dbraw/zinc/39/64/20/743396420.db2.gz GUACHPCNZDZPRB-AWEZNQCLSA-N 1 3 333.436 0.462 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000997243023 743399495 /nfs/dbraw/zinc/39/94/95/743399495.db2.gz RWSTYVAHOARBCL-HOCLYGCPSA-N 1 3 345.447 0.605 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000997243023 743399501 /nfs/dbraw/zinc/39/95/01/743399501.db2.gz RWSTYVAHOARBCL-HOCLYGCPSA-N 1 3 345.447 0.605 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000997299567 743462055 /nfs/dbraw/zinc/46/20/55/743462055.db2.gz PQXRZURZNBCPEP-CYBMUJFWSA-N 1 3 333.436 0.518 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000997299567 743462057 /nfs/dbraw/zinc/46/20/57/743462057.db2.gz PQXRZURZNBCPEP-CYBMUJFWSA-N 1 3 333.436 0.518 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)C1 ZINC001020584927 751838922 /nfs/dbraw/zinc/83/89/22/751838922.db2.gz YCSBVJNJPXWXGJ-JYJNAYRXSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001020586022 751844678 /nfs/dbraw/zinc/84/46/78/751844678.db2.gz CHKHEQOGLGCWOE-QBYUYEEZSA-N 1 3 348.491 0.861 20 0 ECADHO CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020586425 751844812 /nfs/dbraw/zinc/84/48/12/751844812.db2.gz OEBQQNLHWJVELD-BPLDGKMQSA-N 1 3 334.468 0.828 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)C1 ZINC001020590105 751856018 /nfs/dbraw/zinc/85/60/18/751856018.db2.gz MJXFPFWBBJBUCN-TUVASFSCSA-N 1 3 332.452 0.344 20 0 ECADHO CN(CC(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1)C1CCC1 ZINC000997829854 743841198 /nfs/dbraw/zinc/84/11/98/743841198.db2.gz DJVPEQFOFCDTDV-MRXNPFEDSA-N 1 3 336.480 0.578 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c(C)n1 ZINC001020592924 751865499 /nfs/dbraw/zinc/86/54/99/751865499.db2.gz SCSRXSPADRXXNC-VCOSZWKGSA-N 1 3 347.463 0.728 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)c(C)n1 ZINC001020592924 751865505 /nfs/dbraw/zinc/86/55/05/751865505.db2.gz SCSRXSPADRXXNC-VCOSZWKGSA-N 1 3 347.463 0.728 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(CNCc2cn(C)nn2)CC1 ZINC000998080904 743966002 /nfs/dbraw/zinc/96/60/02/743966002.db2.gz FOFKUDVNTGQVSF-AWEZNQCLSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(CNCc2cn(C)nn2)CC1 ZINC000998080904 743966007 /nfs/dbraw/zinc/96/60/07/743966007.db2.gz FOFKUDVNTGQVSF-AWEZNQCLSA-N 1 3 334.468 0.628 20 0 ECADHO Cc1nnc([C@@H](C)NCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000998267725 744087981 /nfs/dbraw/zinc/08/79/81/744087981.db2.gz ZOEZKBKIDGDMJT-IUODEOHRSA-N 1 3 334.468 0.954 20 0 ECADHO Cc1nnc([C@@H](C)NCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000998267725 744087985 /nfs/dbraw/zinc/08/79/85/744087985.db2.gz ZOEZKBKIDGDMJT-IUODEOHRSA-N 1 3 334.468 0.954 20 0 ECADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@@H+]([C@H]4CCNC4=O)C[C@]3(C)C2)CCC1 ZINC000982295755 751897120 /nfs/dbraw/zinc/89/71/20/751897120.db2.gz CVUHXQFAEFLRQE-JCGIZDLHSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@H+]([C@H]4CCNC4=O)C[C@]3(C)C2)CCC1 ZINC000982295755 751897126 /nfs/dbraw/zinc/89/71/26/751897126.db2.gz CVUHXQFAEFLRQE-JCGIZDLHSA-N 1 3 348.491 0.530 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414199 744233170 /nfs/dbraw/zinc/23/31/70/744233170.db2.gz JSXYGZMPLRBVKM-DLBZAZTESA-N 1 3 346.479 0.543 20 0 ECADHO CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998652215 744268446 /nfs/dbraw/zinc/26/84/46/744268446.db2.gz PPZOTVZMRPWHPA-UGUYLWEFSA-N 1 3 346.475 0.425 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000976852980 744400510 /nfs/dbraw/zinc/40/05/10/744400510.db2.gz FKDFKPKEHTZQEK-XUWVNRHRSA-N 1 3 346.475 0.282 20 0 ECADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1)C(N)=O ZINC001211669225 744412176 /nfs/dbraw/zinc/41/21/76/744412176.db2.gz OGWFDCWPTQBZPK-CWRNSKLLSA-N 1 3 332.448 0.396 20 0 ECADHO CC(C)(C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21)[NH+]1CCCC1 ZINC000976941421 744515047 /nfs/dbraw/zinc/51/50/47/744515047.db2.gz BCQQHBHANIBIAS-QLPKVWCKSA-N 1 3 348.491 0.530 20 0 ECADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999161188 744542143 /nfs/dbraw/zinc/54/21/43/744542143.db2.gz HQNFSHPHHXXSBS-HUUCEWRRSA-N 1 3 336.480 0.707 20 0 ECADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999161188 744542144 /nfs/dbraw/zinc/54/21/44/744542144.db2.gz HQNFSHPHHXXSBS-HUUCEWRRSA-N 1 3 336.480 0.707 20 0 ECADHO CCn1nncc1CN[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999437540 744696968 /nfs/dbraw/zinc/69/69/68/744696968.db2.gz XGRUJJLYFKLTRL-HOCLYGCPSA-N 1 3 336.484 0.965 20 0 ECADHO O=C(CN[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1)N1CCC1 ZINC000999488350 744719008 /nfs/dbraw/zinc/71/90/08/744719008.db2.gz DWBXVJBFHKUBBW-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO COCCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977306657 744850917 /nfs/dbraw/zinc/85/09/17/744850917.db2.gz ZCKWDSQPSXEPDB-OAHLLOKOSA-N 1 3 337.468 0.531 20 0 ECADHO Cc1cc(CNC2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)ncn1 ZINC000999704843 744855376 /nfs/dbraw/zinc/85/53/76/744855376.db2.gz BPEWIQMWCWUYDR-UHFFFAOYSA-N 1 3 329.448 0.960 20 0 ECADHO C[NH+](C)CCc1ccccc1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999791296 744904427 /nfs/dbraw/zinc/90/44/27/744904427.db2.gz KABNRPSNBLGUJA-HNNXBMFYSA-N 1 3 332.448 0.470 20 0 ECADHO Cn1cncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000983716518 745093677 /nfs/dbraw/zinc/09/36/77/745093677.db2.gz PNOXPROZUNAKQR-QBYUYEEZSA-N 1 3 347.463 0.268 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001029145974 745164993 /nfs/dbraw/zinc/16/49/93/745164993.db2.gz GCJGAYJLPIGPLW-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001029145974 745164996 /nfs/dbraw/zinc/16/49/96/745164996.db2.gz GCJGAYJLPIGPLW-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001000194083 745331537 /nfs/dbraw/zinc/33/15/37/745331537.db2.gz SHXAJPVSJOEYFV-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CN1CC[C@@H](N[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001000392675 745471555 /nfs/dbraw/zinc/47/15/55/745471555.db2.gz ZUVIEGCHPMXYPI-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CC[C@@H](N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000712971 745716319 /nfs/dbraw/zinc/71/63/19/745716319.db2.gz UFBUSEDACYALQZ-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CCN1CCO ZINC001088574400 752028590 /nfs/dbraw/zinc/02/85/90/752028590.db2.gz SLJDLOSYKOICBY-SIXLDLHFSA-N 1 3 339.480 0.305 20 0 ECADHO CN(C[C@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)C12CCC[NH+]1CCC2 ZINC000978033890 745807669 /nfs/dbraw/zinc/80/76/69/745807669.db2.gz LPRPJDJMSXCHTH-OAHLLOKOSA-N 1 3 345.447 0.640 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC001000926409 745905749 /nfs/dbraw/zinc/90/57/49/745905749.db2.gz NUMOYYJDROIUDA-HOTGVXAUSA-N 1 3 349.479 0.469 20 0 ECADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001000988263 745954291 /nfs/dbraw/zinc/95/42/91/745954291.db2.gz MNXNIWDHZUXBED-BBRMVZONSA-N 1 3 332.448 0.816 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000991938 745957495 /nfs/dbraw/zinc/95/74/95/745957495.db2.gz JZOBYHFOKMELIH-NVXWUHKLSA-N 1 3 344.459 0.831 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCN1CCO ZINC001087601528 746112741 /nfs/dbraw/zinc/11/27/41/746112741.db2.gz WELSVODLJVBODY-BBWFWOEESA-N 1 3 339.480 0.591 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCN1CCO ZINC001087601528 746112742 /nfs/dbraw/zinc/11/27/42/746112742.db2.gz WELSVODLJVBODY-BBWFWOEESA-N 1 3 339.480 0.591 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@@H+]1CCO ZINC001087601528 746112743 /nfs/dbraw/zinc/11/27/43/746112743.db2.gz WELSVODLJVBODY-BBWFWOEESA-N 1 3 339.480 0.591 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@H+]1CCO ZINC001087601528 746112745 /nfs/dbraw/zinc/11/27/45/746112745.db2.gz WELSVODLJVBODY-BBWFWOEESA-N 1 3 339.480 0.591 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CCN(CCc2cnn(C)c2)CC1 ZINC001001153501 746119956 /nfs/dbraw/zinc/11/99/56/746119956.db2.gz VZYPAHDRSPWXMW-QAPCUYQASA-N 1 3 345.491 0.909 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(CCc2cnn(C)c2)CC1 ZINC001001153501 746119961 /nfs/dbraw/zinc/11/99/61/746119961.db2.gz VZYPAHDRSPWXMW-QAPCUYQASA-N 1 3 345.491 0.909 20 0 ECADHO O=C(N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC000984375393 746361927 /nfs/dbraw/zinc/36/19/27/746361927.db2.gz YGWAQFLQFJAMHE-WLBZRZLNSA-N 1 3 349.475 0.371 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN([C@H](CC)C(N)=O)CC1 ZINC001001465421 746406906 /nfs/dbraw/zinc/40/69/06/746406906.db2.gz AHYJVCRQWCAHIT-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CCN([C@H](CC)C(N)=O)CC1 ZINC001001465421 746406910 /nfs/dbraw/zinc/40/69/10/746406910.db2.gz AHYJVCRQWCAHIT-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO Cn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCN4C)C[C@@H]3C2)cn1 ZINC001087909049 746639565 /nfs/dbraw/zinc/63/95/65/746639565.db2.gz WPJYAQDXILQXMK-FGTMMUONSA-N 1 3 345.491 0.837 20 0 ECADHO Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCN4C)C[C@@H]3C2)cn1 ZINC001087909049 746639568 /nfs/dbraw/zinc/63/95/68/746639568.db2.gz WPJYAQDXILQXMK-FGTMMUONSA-N 1 3 345.491 0.837 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC001002245632 747121768 /nfs/dbraw/zinc/12/17/68/747121768.db2.gz GBASPKWZXFCSFW-WQVCFCJDSA-N 1 3 336.480 0.241 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC001002245632 747121771 /nfs/dbraw/zinc/12/17/71/747121771.db2.gz GBASPKWZXFCSFW-WQVCFCJDSA-N 1 3 336.480 0.241 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001002449188 747358873 /nfs/dbraw/zinc/35/88/73/747358873.db2.gz FAVYQNZEHUMAPE-MRXNPFEDSA-N 1 3 348.491 0.531 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000985119720 747402676 /nfs/dbraw/zinc/40/26/76/747402676.db2.gz MTTJKVWAQNQZBT-UMVBOHGHSA-N 1 3 333.436 0.421 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000985119720 747402679 /nfs/dbraw/zinc/40/26/79/747402679.db2.gz MTTJKVWAQNQZBT-UMVBOHGHSA-N 1 3 333.436 0.421 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1)N(C)C ZINC001088109597 747403472 /nfs/dbraw/zinc/40/34/72/747403472.db2.gz NKZSRHKTPOTSJD-PMPSAXMXSA-N 1 3 334.468 0.399 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1)N(C)C ZINC001088109597 747403475 /nfs/dbraw/zinc/40/34/75/747403475.db2.gz NKZSRHKTPOTSJD-PMPSAXMXSA-N 1 3 334.468 0.399 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000985154723 747478728 /nfs/dbraw/zinc/47/87/28/747478728.db2.gz NXMXOHPQZLZRHG-QRTARXTBSA-N 1 3 344.459 0.735 20 0 ECADHO C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000979324044 747612263 /nfs/dbraw/zinc/61/22/63/747612263.db2.gz ZWQWQIUFIPJOHQ-WMLDXEAASA-N 1 3 349.479 0.610 20 0 ECADHO CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000985333101 747736673 /nfs/dbraw/zinc/73/66/73/747736673.db2.gz XHJOKCVFEYELGD-HOTGVXAUSA-N 1 3 336.480 0.624 20 0 ECADHO CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000985333101 747736676 /nfs/dbraw/zinc/73/66/76/747736676.db2.gz XHJOKCVFEYELGD-HOTGVXAUSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H](NCc1cnn(C)c1)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979453786 747870194 /nfs/dbraw/zinc/87/01/94/747870194.db2.gz QYBQHELRYBKVID-ZBFHGGJFSA-N 1 3 347.463 0.221 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)[C@H]1CCNC1=O ZINC001029767755 748291033 /nfs/dbraw/zinc/29/10/33/748291033.db2.gz JWNYASLHCIWJMG-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)[C@@H]1CCNC1=O ZINC001029767759 748291619 /nfs/dbraw/zinc/29/16/19/748291619.db2.gz JWNYASLHCIWJMG-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO CN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCCCN3C)CC2)C1=O ZINC000985502669 748331175 /nfs/dbraw/zinc/33/11/75/748331175.db2.gz RNPKPFSIALFVDK-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO CN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CCCCN3C)CC2)C1=O ZINC000985502669 748331180 /nfs/dbraw/zinc/33/11/80/748331180.db2.gz RNPKPFSIALFVDK-CVEARBPZSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985542627 748437915 /nfs/dbraw/zinc/43/79/15/748437915.db2.gz ADVIBNKKTPOSDI-KDWRMLKXSA-N 1 3 337.464 0.153 20 0 ECADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985542627 748437916 /nfs/dbraw/zinc/43/79/16/748437916.db2.gz ADVIBNKKTPOSDI-KDWRMLKXSA-N 1 3 337.464 0.153 20 0 ECADHO C[N@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@@H]1CCc2ncnn21 ZINC001029852651 748831972 /nfs/dbraw/zinc/83/19/72/748831972.db2.gz GRCYUNOVGRRIPQ-ZFWWWQNUSA-N 1 3 343.435 0.512 20 0 ECADHO C[N@@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@@H]1CCc2ncnn21 ZINC001029852651 748831981 /nfs/dbraw/zinc/83/19/81/748831981.db2.gz GRCYUNOVGRRIPQ-ZFWWWQNUSA-N 1 3 343.435 0.512 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001003743453 748851892 /nfs/dbraw/zinc/85/18/92/748851892.db2.gz LGXRESJHYUQZQZ-WCXIOVBPSA-N 1 3 348.491 0.671 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)CC1 ZINC001003745201 748853654 /nfs/dbraw/zinc/85/36/54/748853654.db2.gz GQVZETFSXSWGRE-ZACQAIPSSA-N 1 3 348.491 0.672 20 0 ECADHO COc1ccc(CN(C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000985787811 749099437 /nfs/dbraw/zinc/09/94/37/749099437.db2.gz QIQGLRAXJSAKLE-AWEZNQCLSA-N 1 3 347.463 0.860 20 0 ECADHO COc1ccc(CN(C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000985787811 749099445 /nfs/dbraw/zinc/09/94/45/749099445.db2.gz QIQGLRAXJSAKLE-AWEZNQCLSA-N 1 3 347.463 0.860 20 0 ECADHO Cn1nccc1CCN1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886588 749111975 /nfs/dbraw/zinc/11/19/75/749111975.db2.gz VPNONZDZEJPNTG-ROUUACIJSA-N 1 3 345.491 0.885 20 0 ECADHO CN(Cc1ccc(C(N)=O)cc1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980397592 749491613 /nfs/dbraw/zinc/49/16/13/749491613.db2.gz QCAGOMBEJHNBQI-IAGOWNOFSA-N 1 3 344.459 0.770 20 0 ECADHO CN(Cc1ccc(C(N)=O)cc1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980397592 749491618 /nfs/dbraw/zinc/49/16/18/749491618.db2.gz QCAGOMBEJHNBQI-IAGOWNOFSA-N 1 3 344.459 0.770 20 0 ECADHO Cn1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC000980406164 749506841 /nfs/dbraw/zinc/50/68/41/749506841.db2.gz NSLLBWCIUBHYOA-MRXNPFEDSA-N 1 3 332.448 0.514 20 0 ECADHO Cn1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC000980406164 749506846 /nfs/dbraw/zinc/50/68/46/749506846.db2.gz NSLLBWCIUBHYOA-MRXNPFEDSA-N 1 3 332.448 0.514 20 0 ECADHO O=C(NC[C@@H]1CCCN1CCCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027929506 749515254 /nfs/dbraw/zinc/51/52/54/749515254.db2.gz GOUJJGVNWGLOJM-IRXDYDNUSA-N 1 3 339.480 0.593 20 0 ECADHO O=C(NC[C@@H]1CCCN1CCCO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001027929506 749515260 /nfs/dbraw/zinc/51/52/60/749515260.db2.gz GOUJJGVNWGLOJM-IRXDYDNUSA-N 1 3 339.480 0.593 20 0 ECADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000980703184 749990657 /nfs/dbraw/zinc/99/06/57/749990657.db2.gz CCZARUMPFFIFMK-ZFWWWQNUSA-N 1 3 343.431 0.678 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC001167836321 750514614 /nfs/dbraw/zinc/51/46/14/750514614.db2.gz TYUHXCJQQYZETR-AWEZNQCLSA-N 1 3 338.496 0.871 20 0 ECADHO CCn1cc(CN[C@@H]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000981462773 750719206 /nfs/dbraw/zinc/71/92/06/750719206.db2.gz ZSUSOHNVJFRGEZ-HUUCEWRRSA-N 1 3 346.479 0.911 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105357618 750937452 /nfs/dbraw/zinc/93/74/52/750937452.db2.gz HFILPTYZYIIZFI-UHFFFAOYSA-N 1 3 334.468 0.893 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105357618 750937458 /nfs/dbraw/zinc/93/74/58/750937458.db2.gz HFILPTYZYIIZFI-UHFFFAOYSA-N 1 3 334.468 0.893 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC001006062423 750978246 /nfs/dbraw/zinc/97/82/46/750978246.db2.gz ZEFDIDUDTCHTGI-CQSZACIVSA-N 1 3 347.463 0.791 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C[C@@H]2CCc3ncnn32)CC1 ZINC001028118417 751008589 /nfs/dbraw/zinc/00/85/89/751008589.db2.gz ZDHAUGKMJNHFMA-HOTGVXAUSA-N 1 3 346.479 0.688 20 0 ECADHO CN(C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000987835387 751274055 /nfs/dbraw/zinc/27/40/55/751274055.db2.gz LIPNLBBRBCACSY-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)c1ccncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001020938560 752363920 /nfs/dbraw/zinc/36/39/20/752363920.db2.gz QKXPPNHRUNQGML-HAQNSBGRSA-N 1 3 329.408 0.327 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989289293 753579014 /nfs/dbraw/zinc/57/90/14/753579014.db2.gz RFRVOLDAUFCSGJ-HRCADAONSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989289293 753579022 /nfs/dbraw/zinc/57/90/22/753579022.db2.gz RFRVOLDAUFCSGJ-HRCADAONSA-N 1 3 338.496 0.632 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051504671 762233948 /nfs/dbraw/zinc/23/39/48/762233948.db2.gz UCUAXEJKWJSXHI-TZMCWYRMSA-N 1 3 335.452 0.566 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@]3(C)CN(CCn4cncn4)C[C@@]3(C)C2)C1 ZINC000982798351 753762085 /nfs/dbraw/zinc/76/20/85/753762085.db2.gz NHWQFMVLADIDEU-NXHRZFHOSA-N 1 3 346.479 0.400 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@]3(C)CN(CCn4cncn4)C[C@@]3(C)C2)C1 ZINC000982798351 753762096 /nfs/dbraw/zinc/76/20/96/753762096.db2.gz NHWQFMVLADIDEU-NXHRZFHOSA-N 1 3 346.479 0.400 20 0 ECADHO O=C(NC[C@@H]1CCN([C@@H]2CCCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001028659882 754385992 /nfs/dbraw/zinc/38/59/92/754385992.db2.gz ZGZYHASGTKHYIP-LSDHHAIUSA-N 1 3 334.464 0.332 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001168335500 754629067 /nfs/dbraw/zinc/62/90/67/754629067.db2.gz KWXJXRJYENEXJV-LSDHHAIUSA-N 1 3 336.480 0.625 20 0 ECADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1N(CC(=O)N1CCCC1)CC2 ZINC000990011638 754647383 /nfs/dbraw/zinc/64/73/83/754647383.db2.gz CMXKQYWXUMHURM-MDZRGWNJSA-N 1 3 348.491 0.816 20 0 ECADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1N(CC(=O)N1CCCC1)CC2 ZINC000990011638 754647386 /nfs/dbraw/zinc/64/73/86/754647386.db2.gz CMXKQYWXUMHURM-MDZRGWNJSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2 ZINC000990011638 754647389 /nfs/dbraw/zinc/64/73/89/754647389.db2.gz CMXKQYWXUMHURM-MDZRGWNJSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCCC1)CC2 ZINC000990011638 754647392 /nfs/dbraw/zinc/64/73/92/754647392.db2.gz CMXKQYWXUMHURM-MDZRGWNJSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC000990027550 754650416 /nfs/dbraw/zinc/65/04/16/754650416.db2.gz VFKMYTARZOYIKJ-RVKKMQEKSA-N 1 3 334.464 0.426 20 0 ECADHO CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC000990027550 754650422 /nfs/dbraw/zinc/65/04/22/754650422.db2.gz VFKMYTARZOYIKJ-RVKKMQEKSA-N 1 3 334.464 0.426 20 0 ECADHO CN(C(=O)CN1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12)C1CC1 ZINC000990017075 754653421 /nfs/dbraw/zinc/65/34/21/754653421.db2.gz QEFVKBIICBJNEZ-GJYPPUQNSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C(=O)CN1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12)C1CC1 ZINC000990017075 754653423 /nfs/dbraw/zinc/65/34/23/754653423.db2.gz QEFVKBIICBJNEZ-GJYPPUQNSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12)C1CC1 ZINC000990017075 754653426 /nfs/dbraw/zinc/65/34/26/754653426.db2.gz QEFVKBIICBJNEZ-GJYPPUQNSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12)C1CC1 ZINC000990017075 754653427 /nfs/dbraw/zinc/65/34/27/754653427.db2.gz QEFVKBIICBJNEZ-GJYPPUQNSA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCCS(C)(=O)=O)CC1 ZINC001168344501 754759369 /nfs/dbraw/zinc/75/93/69/754759369.db2.gz CQYHFHQAKSJLPD-UHFFFAOYSA-N 1 3 347.525 0.637 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCN2CCCC2=O)CC1 ZINC001168344968 754760495 /nfs/dbraw/zinc/76/04/95/754760495.db2.gz IDFKPLWMYDVVBE-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC001014284379 762441450 /nfs/dbraw/zinc/44/14/50/762441450.db2.gz BESAMEWGOKDXGM-YEWWUXTCSA-N 1 3 345.447 0.544 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC001014284379 762441453 /nfs/dbraw/zinc/44/14/53/762441453.db2.gz BESAMEWGOKDXGM-YEWWUXTCSA-N 1 3 345.447 0.544 20 0 ECADHO COCCN1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076345148 756395706 /nfs/dbraw/zinc/39/57/06/756395706.db2.gz QJWQRHMBHYHFIP-GOEBONIOSA-N 1 3 335.452 0.237 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051615959 762481469 /nfs/dbraw/zinc/48/14/69/762481469.db2.gz FFJKOPIWQNVPJU-IAGOWNOFSA-N 1 3 347.463 0.079 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001076627688 756748445 /nfs/dbraw/zinc/74/84/45/756748445.db2.gz WTBZUAGGENJRPF-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C[C@H]1CCc2ncnn21 ZINC001088836108 757009303 /nfs/dbraw/zinc/00/93/03/757009303.db2.gz FVQQIRRMBVPZKB-BMFZPTHFSA-N 1 3 346.479 0.686 20 0 ECADHO CC(C)(C(=O)N1C[C@H](N[C@@H]2CCNC2=O)C(C)(C)C1)[NH+]1CCCC1 ZINC000996139348 757018978 /nfs/dbraw/zinc/01/89/78/757018978.db2.gz XWRZEPWMVRQCAE-KGLIPLIRSA-N 1 3 336.480 0.576 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001048830890 757133127 /nfs/dbraw/zinc/13/31/27/757133127.db2.gz ZTHBMMNLNKTMNC-NPJQDHAYSA-N 1 3 336.480 0.371 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001048830890 757133136 /nfs/dbraw/zinc/13/31/36/757133136.db2.gz ZTHBMMNLNKTMNC-NPJQDHAYSA-N 1 3 336.480 0.371 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)CC[NH+]2CCCCC2)CC1)N(C)C ZINC001011254889 757302375 /nfs/dbraw/zinc/30/23/75/757302375.db2.gz MNRIQNZWJSVHFH-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000996299735 757306589 /nfs/dbraw/zinc/30/65/89/757306589.db2.gz DKRKQTHQYFZBMO-LSDHHAIUSA-N 1 3 334.468 0.589 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC000996299853 757307421 /nfs/dbraw/zinc/30/74/21/757307421.db2.gz FOEZWPKTYXMGNB-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)[NH+](C)C ZINC001011263805 757328647 /nfs/dbraw/zinc/32/86/47/757328647.db2.gz MLKSUSBZHJLMEN-HZPDHXFCSA-N 1 3 338.496 0.584 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)C1 ZINC001021380791 757371767 /nfs/dbraw/zinc/37/17/67/757371767.db2.gz VZPMFVDMFGKYQK-MGNMYUMUSA-N 1 3 346.479 0.732 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)C1 ZINC001021380791 757371779 /nfs/dbraw/zinc/37/17/79/757371779.db2.gz VZPMFVDMFGKYQK-MGNMYUMUSA-N 1 3 346.479 0.732 20 0 ECADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048959561 757518179 /nfs/dbraw/zinc/51/81/79/757518179.db2.gz LNTGCBKZALFIGH-MXASKKJJSA-N 1 3 348.491 0.386 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048959562 757518669 /nfs/dbraw/zinc/51/86/69/757518669.db2.gz LNTGCBKZALFIGH-QMCVQRASSA-N 1 3 348.491 0.386 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048959352 757518713 /nfs/dbraw/zinc/51/87/13/757518713.db2.gz GIJHYEFICHFMGV-TWMKSMIVSA-N 1 3 348.491 0.515 20 0 ECADHO Cn1cc(CN2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)cn1 ZINC001049025315 757730086 /nfs/dbraw/zinc/73/00/86/757730086.db2.gz UBDWKMOLBTYKGU-CALCHBBNSA-N 1 3 331.464 0.652 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049056957 757802087 /nfs/dbraw/zinc/80/20/87/757802087.db2.gz FIVMGKACNJNCPS-OAGGEKHMSA-N 1 3 332.452 0.153 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049056957 757802103 /nfs/dbraw/zinc/80/21/03/757802103.db2.gz FIVMGKACNJNCPS-OAGGEKHMSA-N 1 3 332.452 0.153 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)CCC[NH+](C)C)N(C)C ZINC001076973009 757810006 /nfs/dbraw/zinc/81/00/06/757810006.db2.gz WAEOLFWSZKMEAE-HOCLYGCPSA-N 1 3 328.501 0.925 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049060603 757834270 /nfs/dbraw/zinc/83/42/70/757834270.db2.gz VIGPPRGFRXBWLI-XHSDSOJGSA-N 1 3 348.491 0.387 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049060603 757834286 /nfs/dbraw/zinc/83/42/86/757834286.db2.gz VIGPPRGFRXBWLI-XHSDSOJGSA-N 1 3 348.491 0.387 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CC3CCC3)C[C@H]2O)n1 ZINC001077014076 757941360 /nfs/dbraw/zinc/94/13/60/757941360.db2.gz BCYIHYXGSCLEMM-HZPDHXFCSA-N 1 3 335.452 0.020 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCC(=O)N3CCCC3)C(C)(C)C2)C1 ZINC000996610987 758220580 /nfs/dbraw/zinc/22/05/80/758220580.db2.gz LXDKIHJQYFCCOA-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCC(=O)N3CCCC3)C(C)(C)C2)C1 ZINC000996610987 758220589 /nfs/dbraw/zinc/22/05/89/758220589.db2.gz LXDKIHJQYFCCOA-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N1CCCCC1 ZINC001022076965 758240493 /nfs/dbraw/zinc/24/04/93/758240493.db2.gz GWDOUJQPBTZAAU-QLFBSQMISA-N 1 3 336.480 0.766 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616557 758250817 /nfs/dbraw/zinc/25/08/17/758250817.db2.gz SYOMCANCSOXTHY-ZBFHGGJFSA-N 1 3 348.495 0.885 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616557 758250833 /nfs/dbraw/zinc/25/08/33/758250833.db2.gz SYOMCANCSOXTHY-ZBFHGGJFSA-N 1 3 348.495 0.885 20 0 ECADHO Cn1nccc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001022121209 758307600 /nfs/dbraw/zinc/30/76/00/758307600.db2.gz ZYQUSOLMAYGVTQ-HDEZJCGLSA-N 1 3 347.463 0.063 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC001051661146 762620928 /nfs/dbraw/zinc/62/09/28/762620928.db2.gz NGJLHAQLFUCCKV-SJORKVTESA-N 1 3 349.479 0.612 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)CCO2)cn1 ZINC001051661146 762620932 /nfs/dbraw/zinc/62/09/32/762620932.db2.gz NGJLHAQLFUCCKV-SJORKVTESA-N 1 3 349.479 0.612 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049233385 758396602 /nfs/dbraw/zinc/39/66/02/758396602.db2.gz NKURWPUFYKKXIH-YYIAUSFCSA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049233385 758396611 /nfs/dbraw/zinc/39/66/11/758396611.db2.gz NKURWPUFYKKXIH-YYIAUSFCSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H](N[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C)C(N)=O ZINC000996668463 758403563 /nfs/dbraw/zinc/40/35/63/758403563.db2.gz DKSSIWWXHXOEBU-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1=O ZINC000996681255 758459459 /nfs/dbraw/zinc/45/94/59/758459459.db2.gz YSJDAAVPZFQMLV-CVEARBPZSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)[C@@H](C(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001060320003 762635161 /nfs/dbraw/zinc/63/51/61/762635161.db2.gz JYKQLJCTGVEHGT-WMLDXEAASA-N 1 3 338.496 0.633 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001022278424 758516787 /nfs/dbraw/zinc/51/67/87/758516787.db2.gz NMHVPRDAFYZCHN-CTASWTNQSA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001022278424 758516789 /nfs/dbraw/zinc/51/67/89/758516789.db2.gz NMHVPRDAFYZCHN-CTASWTNQSA-N 1 3 332.452 0.569 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1)N(C)C ZINC000996710955 758557793 /nfs/dbraw/zinc/55/77/93/758557793.db2.gz HSZUMTLQEPJICO-HUUCEWRRSA-N 1 3 334.468 0.686 20 0 ECADHO CC(C)(C)n1cc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC001127785207 758777721 /nfs/dbraw/zinc/77/77/21/758777721.db2.gz GTGZERIWSMUUEF-HOTGVXAUSA-N 1 3 349.479 0.707 20 0 ECADHO CC(C)(C)n1cc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC001127785207 758777727 /nfs/dbraw/zinc/77/77/27/758777727.db2.gz GTGZERIWSMUUEF-HOTGVXAUSA-N 1 3 349.479 0.707 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)C1 ZINC001022584528 758915773 /nfs/dbraw/zinc/91/57/73/758915773.db2.gz AIHYKKJRFYOABK-SOUVJXGZSA-N 1 3 334.468 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)C1 ZINC001022584528 758915777 /nfs/dbraw/zinc/91/57/77/758915777.db2.gz AIHYKKJRFYOABK-SOUVJXGZSA-N 1 3 334.468 0.674 20 0 ECADHO COc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)c(C)n1 ZINC001022715248 759029414 /nfs/dbraw/zinc/02/94/14/759029414.db2.gz FVHUFUWPZOPCFU-WQVCFCJDSA-N 1 3 347.463 0.872 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)C1 ZINC001022716737 759032607 /nfs/dbraw/zinc/03/26/07/759032607.db2.gz GYOYZPUXCXEZLE-XUWVNRHRSA-N 1 3 336.480 0.481 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001022717448 759034265 /nfs/dbraw/zinc/03/42/65/759034265.db2.gz WXYLKOGCPHVDHT-GASCZTMLSA-N 1 3 336.480 0.578 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)C1 ZINC001022717047 759034900 /nfs/dbraw/zinc/03/49/00/759034900.db2.gz NUWZPUPBHCOEHJ-QLFBSQMISA-N 1 3 346.479 0.734 20 0 ECADHO O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418752 759036637 /nfs/dbraw/zinc/03/66/37/759036637.db2.gz ZHNJVMJBKJFPBO-RVKOJVRFSA-N 1 3 349.475 0.201 20 0 ECADHO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418752 759036647 /nfs/dbraw/zinc/03/66/47/759036647.db2.gz ZHNJVMJBKJFPBO-RVKOJVRFSA-N 1 3 349.475 0.201 20 0 ECADHO CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418482 759036871 /nfs/dbraw/zinc/03/68/71/759036871.db2.gz QFOLVQQPVCRFDU-DSZOFWSKSA-N 1 3 337.464 0.057 20 0 ECADHO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418482 759036883 /nfs/dbraw/zinc/03/68/83/759036883.db2.gz QFOLVQQPVCRFDU-DSZOFWSKSA-N 1 3 337.464 0.057 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2CCn1cncn1)[NH+](C)C ZINC001049711585 759118809 /nfs/dbraw/zinc/11/88/09/759118809.db2.gz NBWYEMFFAJFIGM-BRWVUGGUSA-N 1 3 348.495 0.930 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CCN2CCNC2=O)C1 ZINC001049895234 759369192 /nfs/dbraw/zinc/36/91/92/759369192.db2.gz IWTIQNVZOBMXNL-HRCADAONSA-N 1 3 349.479 0.029 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CCN2CCNC2=O)C1 ZINC001049895234 759369199 /nfs/dbraw/zinc/36/91/99/759369199.db2.gz IWTIQNVZOBMXNL-HRCADAONSA-N 1 3 349.479 0.029 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)Cc1c[nH]cn1 ZINC001012099355 759404841 /nfs/dbraw/zinc/40/48/41/759404841.db2.gz DYQYDIWXDKUWJJ-TZMCWYRMSA-N 1 3 331.420 0.154 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)C1=O ZINC001107042495 759504040 /nfs/dbraw/zinc/50/40/40/759504040.db2.gz ONTIZLCZVWHDMX-BZUAXINKSA-N 1 3 338.496 0.632 20 0 ECADHO CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039219 759510504 /nfs/dbraw/zinc/51/05/04/759510504.db2.gz NFJBQGBUBLQZBH-HZPDHXFCSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047982602 759769682 /nfs/dbraw/zinc/76/96/82/759769682.db2.gz KOLFNKVGGFKIDK-ZFWWWQNUSA-N 1 3 343.431 0.678 20 0 ECADHO Cn1ncnc1CNC[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001050362584 760182534 /nfs/dbraw/zinc/18/25/34/760182534.db2.gz QTSDWIDBOLRGCX-KOMQPUFPSA-N 1 3 348.495 0.922 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000945399153 760220801 /nfs/dbraw/zinc/22/08/01/760220801.db2.gz MYMHVYDIFCLLQV-SJORKVTESA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNCc1cn(C)nn1 ZINC001048305402 760265090 /nfs/dbraw/zinc/26/50/90/760265090.db2.gz SPYURKLVYJRPMJ-LSDHHAIUSA-N 1 3 346.479 0.628 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001012564568 760298345 /nfs/dbraw/zinc/29/83/45/760298345.db2.gz XGTNOAYMVBVZAM-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001012564568 760298349 /nfs/dbraw/zinc/29/83/49/760298349.db2.gz XGTNOAYMVBVZAM-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2)[NH+](C)C ZINC001050554498 760485390 /nfs/dbraw/zinc/48/53/90/760485390.db2.gz XQOJPZVOEXNECE-GJZGRUSLSA-N 1 3 336.480 0.386 20 0 ECADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)n[nH]1 ZINC000995830505 760665618 /nfs/dbraw/zinc/66/56/18/760665618.db2.gz GONRRYZWYSTTDF-MRVWCRGKSA-N 1 3 334.468 0.780 20 0 ECADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)n[nH]1 ZINC000995830505 760665621 /nfs/dbraw/zinc/66/56/21/760665621.db2.gz GONRRYZWYSTTDF-MRVWCRGKSA-N 1 3 334.468 0.780 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)CCC1 ZINC000995892301 760734176 /nfs/dbraw/zinc/73/41/76/760734176.db2.gz FZJYBCMQIXKOJO-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001050732133 760749528 /nfs/dbraw/zinc/74/95/28/760749528.db2.gz HKFOSHNFGCJNIN-HNNXBMFYSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CC[C@@H]([NH+]2CCC3(CN(C(=O)CN4CCCC4)C3)CC2)C1=O ZINC001050753964 760780633 /nfs/dbraw/zinc/78/06/33/760780633.db2.gz JWJQBALYWLQINX-OAHLLOKOSA-N 1 3 334.464 0.237 20 0 ECADHO CN(CC(=O)N1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C(C)(C)C1)C1CCC1 ZINC000995921786 760780836 /nfs/dbraw/zinc/78/08/36/760780836.db2.gz YIYGOVBIPJOPFK-GJZGRUSLSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050754498 760782987 /nfs/dbraw/zinc/78/29/87/760782987.db2.gz YAKHCTYRRIYOKI-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050754498 760782994 /nfs/dbraw/zinc/78/29/94/760782994.db2.gz YAKHCTYRRIYOKI-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)CN(C)C1CCC1 ZINC001012920418 760816797 /nfs/dbraw/zinc/81/67/97/760816797.db2.gz AWQSMXVAKGXGLS-GJZGRUSLSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](C(=O)NC1CN(C(=O)CN2CCCC2)C1)[NH+]1CCCCCC1 ZINC000991422961 760862183 /nfs/dbraw/zinc/86/21/83/760862183.db2.gz FPYPMRVOGYMRBG-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001017464519 768012887 /nfs/dbraw/zinc/01/28/87/768012887.db2.gz IVYYIEAAQXVKJO-CQSZACIVSA-N 1 3 331.420 0.179 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001017464519 768012892 /nfs/dbraw/zinc/01/28/92/768012892.db2.gz IVYYIEAAQXVKJO-CQSZACIVSA-N 1 3 331.420 0.179 20 0 ECADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001050991884 761286604 /nfs/dbraw/zinc/28/66/04/761286604.db2.gz DJOKIOQJZSBZSQ-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)N(C)C ZINC001106282170 768066125 /nfs/dbraw/zinc/06/61/25/768066125.db2.gz WTFYQBKNMIYNBE-FMKPAKJESA-N 1 3 326.485 0.345 20 0 ECADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001051802600 763000966 /nfs/dbraw/zinc/00/09/66/763000966.db2.gz XUNSBOKNGHNUEP-QGZVFWFLSA-N 1 3 349.479 0.387 20 0 ECADHO CC(C)[C@H](C(=O)N1CCO[C@@H](CNCc2ccccn2)C1)[NH+](C)C ZINC001051807554 763014427 /nfs/dbraw/zinc/01/44/27/763014427.db2.gz TZSHBFYMDIGLLB-DLBZAZTESA-N 1 3 334.464 0.985 20 0 ECADHO Cn1ccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001046834118 763198629 /nfs/dbraw/zinc/19/86/29/763198629.db2.gz MQJYVALRZSIICM-YJBOKZPZSA-N 1 3 332.448 0.418 20 0 ECADHO Cn1ccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001046834118 763198630 /nfs/dbraw/zinc/19/86/30/763198630.db2.gz MQJYVALRZSIICM-YJBOKZPZSA-N 1 3 332.448 0.418 20 0 ECADHO Cc1cccnc1CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904600 763290232 /nfs/dbraw/zinc/29/02/32/763290232.db2.gz RRWCCUMLWAZPCL-INIZCTEOSA-N 1 3 344.459 0.803 20 0 ECADHO Cc1ncccc1CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051905111 763291213 /nfs/dbraw/zinc/29/12/13/763291213.db2.gz YHLWCDFAZOZQNA-QGZVFWFLSA-N 1 3 344.459 0.803 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001051943499 763409909 /nfs/dbraw/zinc/40/99/09/763409909.db2.gz MMLWLQBTQRCZKK-IAGOWNOFSA-N 1 3 349.479 0.612 20 0 ECADHO CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046958884 763463535 /nfs/dbraw/zinc/46/35/35/763463535.db2.gz RPNHXFVLBJPEMJ-IOSBVQAASA-N 1 3 343.418 0.943 20 0 ECADHO CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046958884 763463538 /nfs/dbraw/zinc/46/35/38/763463538.db2.gz RPNHXFVLBJPEMJ-IOSBVQAASA-N 1 3 343.418 0.943 20 0 ECADHO CN1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001014956487 763541883 /nfs/dbraw/zinc/54/18/83/763541883.db2.gz VELXZAOAPXXYQT-IRXDYDNUSA-N 1 3 344.459 0.960 20 0 ECADHO CN1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001014956487 763541887 /nfs/dbraw/zinc/54/18/87/763541887.db2.gz VELXZAOAPXXYQT-IRXDYDNUSA-N 1 3 344.459 0.960 20 0 ECADHO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001014956487 763541889 /nfs/dbraw/zinc/54/18/89/763541889.db2.gz VELXZAOAPXXYQT-IRXDYDNUSA-N 1 3 344.459 0.960 20 0 ECADHO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001014956487 763541892 /nfs/dbraw/zinc/54/18/92/763541892.db2.gz VELXZAOAPXXYQT-IRXDYDNUSA-N 1 3 344.459 0.960 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cccc(C(N)=O)c2)CC[N@@H+]1C ZINC001127695715 763564751 /nfs/dbraw/zinc/56/47/51/763564751.db2.gz UPMMICGPRKXVLB-JKSUJKDBSA-N 1 3 332.448 0.722 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cccc(C(N)=O)c2)CC[N@H+]1C ZINC001127695715 763564753 /nfs/dbraw/zinc/56/47/53/763564753.db2.gz UPMMICGPRKXVLB-JKSUJKDBSA-N 1 3 332.448 0.722 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](C)C1 ZINC001106340153 768165252 /nfs/dbraw/zinc/16/52/52/768165252.db2.gz NOBFFOAJHPYORV-RBSFLKMASA-N 1 3 338.496 0.679 20 0 ECADHO Cn1ccc(CNC[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995164592 763827266 /nfs/dbraw/zinc/82/72/66/763827266.db2.gz AXIZVEGMYMJTGZ-CABCVRRESA-N 1 3 331.464 0.890 20 0 ECADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]CC(N)=O ZINC001107029234 764737923 /nfs/dbraw/zinc/73/79/23/764737923.db2.gz OVQSUOILTZDHCL-CZUORRHYSA-N 1 3 332.448 0.531 20 0 ECADHO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(Cc2ccc(CO)cc2)C[C@@H]1O ZINC001047627587 764925415 /nfs/dbraw/zinc/92/54/15/764925415.db2.gz RRKXBJBICCKWNV-ROUUACIJSA-N 1 3 347.459 0.278 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001015612157 765061500 /nfs/dbraw/zinc/06/15/00/765061500.db2.gz STDBFZROPRFVIJ-JYJNAYRXSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001015612157 765061508 /nfs/dbraw/zinc/06/15/08/765061508.db2.gz STDBFZROPRFVIJ-JYJNAYRXSA-N 1 3 333.480 0.883 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001052784615 765116827 /nfs/dbraw/zinc/11/68/27/765116827.db2.gz ZXOQCNUKMJFORI-HZPDHXFCSA-N 1 3 340.512 0.879 20 0 ECADHO O=C(N[C@@H]1CCCN([C@H]2CCCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001052871467 765265914 /nfs/dbraw/zinc/26/59/14/765265914.db2.gz JKZTVEWXJRNXBO-CABCVRRESA-N 1 3 334.464 0.332 20 0 ECADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N(C)C ZINC001127344740 768346377 /nfs/dbraw/zinc/34/63/77/768346377.db2.gz RTYBTZONRSEABD-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N(C)C ZINC001127344740 768346385 /nfs/dbraw/zinc/34/63/85/768346385.db2.gz RTYBTZONRSEABD-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256666 766729570 /nfs/dbraw/zinc/72/95/70/766729570.db2.gz QMMLAYZBTOUZOC-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256666 766729576 /nfs/dbraw/zinc/72/95/76/766729576.db2.gz QMMLAYZBTOUZOC-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](CCOC)C2)CC1)N(C)C ZINC001046062136 766832998 /nfs/dbraw/zinc/83/29/98/766832998.db2.gz BHRNONWSCKWNFM-HOTGVXAUSA-N 1 3 326.485 0.192 20 0 ECADHO CC[C@@H](C(=O)N1CCN([C@H]2CC[N@@H+](CCOC)C2)CC1)N(C)C ZINC001046062136 766833006 /nfs/dbraw/zinc/83/30/06/766833006.db2.gz BHRNONWSCKWNFM-HOTGVXAUSA-N 1 3 326.485 0.192 20 0 ECADHO CC[C@@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCCF)C2)CC1)N(C)C ZINC001046063573 766840566 /nfs/dbraw/zinc/84/05/66/766840566.db2.gz RMRQLHGKAJLQKR-CVEARBPZSA-N 1 3 328.476 0.905 20 0 ECADHO CC[C@@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CCCF)C2)CC1)N(C)C ZINC001046063573 766840573 /nfs/dbraw/zinc/84/05/73/766840573.db2.gz RMRQLHGKAJLQKR-CVEARBPZSA-N 1 3 328.476 0.905 20 0 ECADHO CO[C@@H](C)CN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727311 766857946 /nfs/dbraw/zinc/85/79/46/766857946.db2.gz DDLMVLZSYBOJCN-YOEHRIQHSA-N 1 3 339.480 0.713 20 0 ECADHO CO[C@@H](C)CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727311 766857957 /nfs/dbraw/zinc/85/79/57/766857957.db2.gz DDLMVLZSYBOJCN-YOEHRIQHSA-N 1 3 339.480 0.713 20 0 ECADHO CN(C(=O)CN1CCCC1)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000938683926 767063242 /nfs/dbraw/zinc/06/32/42/767063242.db2.gz SORAABSAYPAXAD-WBVHZDCISA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000938717425 767084801 /nfs/dbraw/zinc/08/48/01/767084801.db2.gz RHVFVAUMFAXSKM-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000938717425 767084812 /nfs/dbraw/zinc/08/48/12/767084812.db2.gz RHVFVAUMFAXSKM-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106908142 767105725 /nfs/dbraw/zinc/10/57/25/767105725.db2.gz RXUNTQQVECZYPU-HUUCEWRRSA-N 1 3 347.525 0.447 20 0 ECADHO C[C@@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN(CCn2cccn2)C1 ZINC001046317355 767144757 /nfs/dbraw/zinc/14/47/57/767144757.db2.gz GXCOXFHOZRCMDR-SJLPKXTDSA-N 1 3 331.464 0.806 20 0 ECADHO CO[C@@H]1CN(CCCOC(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001212298058 767185189 /nfs/dbraw/zinc/18/51/89/767185189.db2.gz SVKWUYKFUGFKDM-QBPKDAKJSA-N 1 3 341.496 0.957 20 0 ECADHO CO[C@@H]1CN(CCCOC(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001212298058 767185193 /nfs/dbraw/zinc/18/51/93/767185193.db2.gz SVKWUYKFUGFKDM-QBPKDAKJSA-N 1 3 341.496 0.957 20 0 ECADHO O=C(NCC1CN(C[C@H]2CCCCO2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856573 767444886 /nfs/dbraw/zinc/44/48/86/767444886.db2.gz CHVMHPAHIURWPV-WSIVYLHMSA-N 1 3 349.475 0.467 20 0 ECADHO O=C(NCC1CN(C[C@H]2CCCCO2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031856573 767444889 /nfs/dbraw/zinc/44/48/89/767444889.db2.gz CHVMHPAHIURWPV-WSIVYLHMSA-N 1 3 349.475 0.467 20 0 ECADHO C[NH+]1CCC(C(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001060463569 767486898 /nfs/dbraw/zinc/48/68/98/767486898.db2.gz YICYSZSAJKXGLA-AWEZNQCLSA-N 1 3 347.463 0.649 20 0 ECADHO CC(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN3CCCC3)C2)nn1 ZINC001098780379 767625513 /nfs/dbraw/zinc/62/55/13/767625513.db2.gz UOTLYLWUVBADLC-MRXNPFEDSA-N 1 3 334.468 0.893 20 0 ECADHO CC12CN(C(=O)CN3CCCC3)CC1CN(C(=O)C[NH+]1CCCC1)C2 ZINC000992954282 767827087 /nfs/dbraw/zinc/82/70/87/767827087.db2.gz VOEIGEZUESIBMX-UHFFFAOYSA-N 1 3 348.491 0.485 20 0 ECADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704904 768693128 /nfs/dbraw/zinc/69/31/28/768693128.db2.gz ICTOSBTWGIOTEF-MGPQQGTHSA-N 1 3 335.452 0.551 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099250292 768735567 /nfs/dbraw/zinc/73/55/67/768735567.db2.gz FWWFHZAKXNHCNX-JHJVBQTASA-N 1 3 337.386 0.830 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099250292 768735569 /nfs/dbraw/zinc/73/55/69/768735569.db2.gz FWWFHZAKXNHCNX-JHJVBQTASA-N 1 3 337.386 0.830 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001055412473 768871773 /nfs/dbraw/zinc/87/17/73/768871773.db2.gz HOCPAMLOWRBAGB-IYBDPMFKSA-N 1 3 338.496 0.587 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001055412473 768871788 /nfs/dbraw/zinc/87/17/88/768871788.db2.gz HOCPAMLOWRBAGB-IYBDPMFKSA-N 1 3 338.496 0.587 20 0 ECADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106775425 768922208 /nfs/dbraw/zinc/92/22/08/768922208.db2.gz DVKHDIFJQVNUGM-HZPDHXFCSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1 ZINC001106779790 768938494 /nfs/dbraw/zinc/93/84/94/768938494.db2.gz WLLNSARMPCFSRK-HUUCEWRRSA-N 1 3 336.484 0.824 20 0 ECADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(N)=O ZINC001106798528 769020977 /nfs/dbraw/zinc/02/09/77/769020977.db2.gz JNAJFPKLZPMSQY-OAGGEKHMSA-N 1 3 338.496 0.666 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001018636388 769691123 /nfs/dbraw/zinc/69/11/23/769691123.db2.gz UNHVYXUCFYKSFJ-GJZGRUSLSA-N 1 3 343.493 0.096 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000993868413 769816591 /nfs/dbraw/zinc/81/65/91/769816591.db2.gz XZHWLTUYWWELGI-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000993868413 769816603 /nfs/dbraw/zinc/81/66/03/769816603.db2.gz XZHWLTUYWWELGI-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNCc1cscn1 ZINC001106881381 770529081 /nfs/dbraw/zinc/52/90/81/770529081.db2.gz CZBGSRDTHYDZKZ-ZIAGYGMSSA-N 1 3 340.493 0.905 20 0 ECADHO CCOC1CC(CN2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC001083749857 770562650 /nfs/dbraw/zinc/56/26/50/770562650.db2.gz UNGYHWSBRORLBX-BNICSPFPSA-N 1 3 339.480 0.305 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@@H]3CCC(F)(F)C3)C[C@@H]2O)CC1 ZINC001083750073 770572451 /nfs/dbraw/zinc/57/24/51/770572451.db2.gz DVDMFDOXJZKXOU-YUELXQCFSA-N 1 3 345.434 0.925 20 0 ECADHO O=C(N1CC[C@H](N[C@H]2CCCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001019030606 770604249 /nfs/dbraw/zinc/60/42/49/770604249.db2.gz NJIQFGXDTIZANF-GJZGRUSLSA-N 1 3 334.464 0.332 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001019108265 770805398 /nfs/dbraw/zinc/80/53/98/770805398.db2.gz KZXFXMCTYJHIOK-HOTGVXAUSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NCc1ccco1 ZINC001127466661 771285129 /nfs/dbraw/zinc/28/51/29/771285129.db2.gz YWSNQEHGYOVSRP-XJKSGUPXSA-N 1 3 348.447 0.332 20 0 ECADHO CC(C)CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466651 771285315 /nfs/dbraw/zinc/28/53/15/771285315.db2.gz XZWKKNJGAHEXDY-GOEBONIOSA-N 1 3 338.496 0.585 20 0 ECADHO CCCN(CCC)C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475161 771305747 /nfs/dbraw/zinc/30/57/47/771305747.db2.gz RWCIWAAVHUJYMG-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO O=C(NCCN[C@@H]1CCN(C2CCC2)C1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481493 771318623 /nfs/dbraw/zinc/31/86/23/771318623.db2.gz UIFIQFCSKSKRKE-HZPDHXFCSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@@H](NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccco1 ZINC001127481907 771319606 /nfs/dbraw/zinc/31/96/06/771319606.db2.gz YQZQPQOHSCHADZ-HIFRSBDPSA-N 1 3 348.447 0.504 20 0 ECADHO C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056534620 771361999 /nfs/dbraw/zinc/36/19/99/771361999.db2.gz ITFUBTQMDPXFKW-JKSUJKDBSA-N 1 3 347.463 0.886 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@H](NCc3cncs3)C2)cn1 ZINC001019497408 771364901 /nfs/dbraw/zinc/36/49/01/771364901.db2.gz UBVCBYJTTFRZQP-AWEZNQCLSA-N 1 3 348.476 0.906 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001056717173 771549174 /nfs/dbraw/zinc/54/91/74/771549174.db2.gz YZEANQKJIJAKMH-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)N1CCCCC1 ZINC001019661380 771684588 /nfs/dbraw/zinc/68/45/88/771684588.db2.gz YLAQSCQUGKDRMH-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001019775087 771783776 /nfs/dbraw/zinc/78/37/76/771783776.db2.gz WKMSOEUKPVQJEA-AWEZNQCLSA-N 1 3 325.844 0.823 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001019820196 771837885 /nfs/dbraw/zinc/83/78/85/771837885.db2.gz AKVCSFBTCCMVEY-DLBZAZTESA-N 1 3 346.475 0.950 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001078460337 782987507 /nfs/dbraw/zinc/98/75/07/782987507.db2.gz QKEHGUVLZVRJBW-QGZVFWFLSA-N 1 3 349.479 0.469 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)CN1CCCC1 ZINC001020274167 772386810 /nfs/dbraw/zinc/38/68/10/772386810.db2.gz AFIUEUSCZICNSH-UAGQMJEPSA-N 1 3 348.491 0.530 20 0 ECADHO Cn1ncc(CN[C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC001020355287 772487364 /nfs/dbraw/zinc/48/73/64/772487364.db2.gz VZORGOHJVCTVBO-JOCQHMNTSA-N 1 3 325.376 0.513 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020407040 772550849 /nfs/dbraw/zinc/55/08/49/772550849.db2.gz LHEFNCLOWWUPPH-VXUGHDQTSA-N 1 3 349.475 0.656 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751123 774578121 /nfs/dbraw/zinc/57/81/21/774578121.db2.gz QPFZSAGBFOBWGH-KGLIPLIRSA-N 1 3 333.436 0.544 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)CN1CCCC1 ZINC001044858794 774681818 /nfs/dbraw/zinc/68/18/18/774681818.db2.gz WFMQJMBGFWJREZ-LSDHHAIUSA-N 1 3 337.468 0.077 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001045076591 774941336 /nfs/dbraw/zinc/94/13/36/774941336.db2.gz WMVQDYUALBYEOG-GJZGRUSLSA-N 1 3 334.468 0.770 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001045076591 774941343 /nfs/dbraw/zinc/94/13/43/774941343.db2.gz WMVQDYUALBYEOG-GJZGRUSLSA-N 1 3 334.468 0.770 20 0 ECADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001045171302 775084945 /nfs/dbraw/zinc/08/49/45/775084945.db2.gz VVRDLISNJOCTMZ-QEJZJMRPSA-N 1 3 334.468 0.924 20 0 ECADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001045171302 775084950 /nfs/dbraw/zinc/08/49/50/775084950.db2.gz VVRDLISNJOCTMZ-QEJZJMRPSA-N 1 3 334.468 0.924 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001079951750 777137814 /nfs/dbraw/zinc/13/78/14/777137814.db2.gz FFAFIWTZHQHZNK-KRWDZBQOSA-N 1 3 340.512 0.974 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070076883 790525898 /nfs/dbraw/zinc/52/58/98/790525898.db2.gz ZLZSPQOJKWZTKH-ZACQAIPSSA-N 1 3 346.479 0.762 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070076883 790525905 /nfs/dbraw/zinc/52/59/05/790525905.db2.gz ZLZSPQOJKWZTKH-ZACQAIPSSA-N 1 3 346.479 0.762 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080138835 777444819 /nfs/dbraw/zinc/44/48/19/777444819.db2.gz QEFCDWYMAPHBCT-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080138835 777444823 /nfs/dbraw/zinc/44/48/23/777444823.db2.gz QEFCDWYMAPHBCT-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001080533818 777975018 /nfs/dbraw/zinc/97/50/18/777975018.db2.gz UHOIQSLQBMBTLR-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001080533818 777975028 /nfs/dbraw/zinc/97/50/28/777975028.db2.gz UHOIQSLQBMBTLR-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N(C)C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001043629558 778625225 /nfs/dbraw/zinc/62/52/25/778625225.db2.gz RFDMNSCVUPWMBJ-GDBMZVCRSA-N 1 3 325.453 0.275 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078507994 780045743 /nfs/dbraw/zinc/04/57/43/780045743.db2.gz KLOSQAAJQBBGJU-GOEBONIOSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078507994 780045754 /nfs/dbraw/zinc/04/57/54/780045754.db2.gz KLOSQAAJQBBGJU-GOEBONIOSA-N 1 3 335.452 0.079 20 0 ECADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508845 780054226 /nfs/dbraw/zinc/05/42/26/780054226.db2.gz ZHBBNYPTYIYMRS-NVXWUHKLSA-N 1 3 349.479 0.387 20 0 ECADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078508845 780054235 /nfs/dbraw/zinc/05/42/35/780054235.db2.gz ZHBBNYPTYIYMRS-NVXWUHKLSA-N 1 3 349.479 0.387 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)[C@@H](c2ccccc2)C1 ZINC001077708715 781558141 /nfs/dbraw/zinc/55/81/41/781558141.db2.gz VDBDKGIBUONLSY-FCGDIQPGSA-N 1 3 343.471 0.903 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)[C@@H](c2ccccc2)C1 ZINC001077708715 781558142 /nfs/dbraw/zinc/55/81/42/781558142.db2.gz VDBDKGIBUONLSY-FCGDIQPGSA-N 1 3 343.471 0.903 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070208848 783659680 /nfs/dbraw/zinc/65/96/80/783659680.db2.gz ABTRDPNYUKVZBU-IXDOHACOSA-N 1 3 346.479 0.760 20 0 ECADHO CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1NCc1ncnn1C ZINC001037925185 783705497 /nfs/dbraw/zinc/70/54/97/783705497.db2.gz MWHUVCYSMASOOF-ZBFHGGJFSA-N 1 3 348.495 0.874 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070918809 784113546 /nfs/dbraw/zinc/11/35/46/784113546.db2.gz QAQNJCJHFLKYNM-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070918809 784113551 /nfs/dbraw/zinc/11/35/51/784113551.db2.gz QAQNJCJHFLKYNM-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001071200290 784721395 /nfs/dbraw/zinc/72/13/95/784721395.db2.gz YIUBKAYCFGPMGG-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001071322489 784950584 /nfs/dbraw/zinc/95/05/84/784950584.db2.gz GVHWRGUCOAVAOC-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001071322489 784950589 /nfs/dbraw/zinc/95/05/89/784950589.db2.gz GVHWRGUCOAVAOC-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001071344000 784984618 /nfs/dbraw/zinc/98/46/18/784984618.db2.gz ORDYWGJHQLKPHS-XHSDSOJGSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001071344000 784984621 /nfs/dbraw/zinc/98/46/21/784984621.db2.gz ORDYWGJHQLKPHS-XHSDSOJGSA-N 1 3 338.496 0.918 20 0 ECADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001071418343 785066626 /nfs/dbraw/zinc/06/66/26/785066626.db2.gz IFGVZIFKPDBMMX-ZBFHGGJFSA-N 1 3 347.463 0.934 20 0 ECADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001071418343 785066632 /nfs/dbraw/zinc/06/66/32/785066632.db2.gz IFGVZIFKPDBMMX-ZBFHGGJFSA-N 1 3 347.463 0.934 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CN1CCCO ZINC001071515973 785234011 /nfs/dbraw/zinc/23/40/11/785234011.db2.gz YPSCLBTYSRDOPB-HUUCEWRRSA-N 1 3 337.468 0.410 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001072290120 785991609 /nfs/dbraw/zinc/99/16/09/785991609.db2.gz JUOGRWMKOPUPNT-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001072290120 785991612 /nfs/dbraw/zinc/99/16/12/785991612.db2.gz JUOGRWMKOPUPNT-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700768 787002518 /nfs/dbraw/zinc/00/25/18/787002518.db2.gz WITBOAANBDJCPH-LPMVOBIJSA-N 1 3 337.464 0.465 20 0 ECADHO CC(C)[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700768 787002530 /nfs/dbraw/zinc/00/25/30/787002530.db2.gz WITBOAANBDJCPH-LPMVOBIJSA-N 1 3 337.464 0.465 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001073740324 787092948 /nfs/dbraw/zinc/09/29/48/787092948.db2.gz DMTQMYGJEGWSNI-DLBZAZTESA-N 1 3 341.496 0.698 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001073740324 787092957 /nfs/dbraw/zinc/09/29/57/787092957.db2.gz DMTQMYGJEGWSNI-DLBZAZTESA-N 1 3 341.496 0.698 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073854190 787368788 /nfs/dbraw/zinc/36/87/88/787368788.db2.gz YUAOHEQLUZAVTC-IAGOWNOFSA-N 1 3 341.496 0.840 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073854190 787368798 /nfs/dbraw/zinc/36/87/98/787368798.db2.gz YUAOHEQLUZAVTC-IAGOWNOFSA-N 1 3 341.496 0.840 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001074028120 787720750 /nfs/dbraw/zinc/72/07/50/787720750.db2.gz ZKMXRHHZQOISGY-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)C1=O ZINC001074804017 788358423 /nfs/dbraw/zinc/35/84/23/788358423.db2.gz ZYSOOIIEFULVPT-CAOSSQGBSA-N 1 3 336.480 0.669 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@H]2C)n1 ZINC001074878281 788477052 /nfs/dbraw/zinc/47/70/52/788477052.db2.gz KTHYZVAEJCDBQQ-KEYYUXOJSA-N 1 3 348.495 0.816 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001072668559 788550842 /nfs/dbraw/zinc/55/08/42/788550842.db2.gz LKBBEGBQNHLCEK-ZBFHGGJFSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](N[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C)C(N)=O ZINC001075030826 788753781 /nfs/dbraw/zinc/75/37/81/788753781.db2.gz PXUWCAMRRRFFMQ-WWGRRREGSA-N 1 3 336.480 0.561 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCN(CCn1cncn1)C2)[NH+](C)C ZINC001072832697 788919277 /nfs/dbraw/zinc/91/92/77/788919277.db2.gz ROZFCVGYIQXKOD-HNNXBMFYSA-N 1 3 334.468 0.399 20 0 ECADHO CC(C)[C@H](C(=O)N1CC2(C1)CCN(CCn1cncn1)C2)[NH+](C)C ZINC001072953193 789158606 /nfs/dbraw/zinc/15/86/06/789158606.db2.gz ROZFCVGYIQXKOD-OAHLLOKOSA-N 1 3 334.468 0.399 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001075291144 789174642 /nfs/dbraw/zinc/17/46/42/789174642.db2.gz YVEWDGKNGPFNGG-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCc2ccnn2C)C3)C1 ZINC001072983200 789219737 /nfs/dbraw/zinc/21/97/37/789219737.db2.gz NWFRPPPQARGMCN-MRXNPFEDSA-N 1 3 345.491 0.839 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCc2ccnn2C)C3)C1 ZINC001072983200 789219743 /nfs/dbraw/zinc/21/97/43/789219743.db2.gz NWFRPPPQARGMCN-MRXNPFEDSA-N 1 3 345.491 0.839 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001075379262 789304966 /nfs/dbraw/zinc/30/49/66/789304966.db2.gz FSVZDFQPWQCLFA-RDJZCZTQSA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001075379262 789304975 /nfs/dbraw/zinc/30/49/75/789304975.db2.gz FSVZDFQPWQCLFA-RDJZCZTQSA-N 1 3 346.479 0.893 20 0 ECADHO CNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)c3cnccc3N(C)C)C2)C1 ZINC001073131841 789499634 /nfs/dbraw/zinc/49/96/34/789499634.db2.gz VMNUHFNLPGUPJU-CYBMUJFWSA-N 1 3 345.447 0.430 20 0 ECADHO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)c3cnccc3N(C)C)C2)C1 ZINC001073131841 789499637 /nfs/dbraw/zinc/49/96/37/789499637.db2.gz VMNUHFNLPGUPJU-CYBMUJFWSA-N 1 3 345.447 0.430 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC(C)(NC(=O)CC[NH+](C)C)CC2)C1 ZINC001073260696 789668166 /nfs/dbraw/zinc/66/81/66/789668166.db2.gz QSACRBFBNCYFRF-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001073455003 789862465 /nfs/dbraw/zinc/86/24/65/789862465.db2.gz WBHPZLCWBXAOJO-IYBDPMFKSA-N 1 3 346.479 0.685 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001073455003 789862471 /nfs/dbraw/zinc/86/24/71/789862471.db2.gz WBHPZLCWBXAOJO-IYBDPMFKSA-N 1 3 346.479 0.685 20 0 ECADHO CN(CCCN(C)C(=O)CN(C)C1CCC1)C(=O)CC[NH+](C)C ZINC001067671110 792008361 /nfs/dbraw/zinc/00/83/61/792008361.db2.gz YGUAUXVFDYIRDI-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CC1CCN(CC(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001068027341 792586936 /nfs/dbraw/zinc/58/69/36/792586936.db2.gz GKEJPZKNUYNAII-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CC1CCN(C(=O)CNCCN(C)C(=O)CCC[NH+](C)C)CC1 ZINC001267419295 837385311 /nfs/dbraw/zinc/38/53/11/837385311.db2.gz LESGMVAVAURZEI-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO CNC(=O)c1ccc(C[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001267429078 837399445 /nfs/dbraw/zinc/39/94/45/837399445.db2.gz NMSVLAXCOSGEBV-OAHLLOKOSA-N 1 3 346.475 0.936 20 0 ECADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)NC(C)C)C1)N(C)C ZINC001266695539 836158392 /nfs/dbraw/zinc/15/83/92/836158392.db2.gz YTSUEAQTRADBQB-HZSPNIEDSA-N 1 3 327.473 0.271 20 0 ECADHO CN(CCNCC(=O)N1CCCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001266988375 836568938 /nfs/dbraw/zinc/56/89/38/836568938.db2.gz JUKGTNFDDOFRPL-UHFFFAOYSA-N 1 3 336.480 0.533 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CCN3CCCC3=O)C2)CCC1 ZINC001267045064 836672348 /nfs/dbraw/zinc/67/23/48/836672348.db2.gz MNYQHDFNWFTKJW-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CN(CCNC(=O)CCC[NH+]1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001408577021 836919034 /nfs/dbraw/zinc/91/90/34/836919034.db2.gz DABCUKQZKIFKDW-UHFFFAOYSA-N 1 3 335.452 0.793 20 0 ECADHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)CN(C)C1CCC1 ZINC001408579652 836935133 /nfs/dbraw/zinc/93/51/33/836935133.db2.gz RHPMFEYYOUCSRV-MRXNPFEDSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001408593220 837086181 /nfs/dbraw/zinc/08/61/81/837086181.db2.gz BBCIRWBYIPZMEX-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001408594435 837097187 /nfs/dbraw/zinc/09/71/87/837097187.db2.gz SKTTWYGEHWGQKR-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001408594435 837097196 /nfs/dbraw/zinc/09/71/96/837097196.db2.gz SKTTWYGEHWGQKR-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001408595437 837149743 /nfs/dbraw/zinc/14/97/43/837149743.db2.gz XYTALHCEZYFOKD-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001408595437 837149745 /nfs/dbraw/zinc/14/97/45/837149745.db2.gz XYTALHCEZYFOKD-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(=O)CN1CCCC1 ZINC001408753708 838268338 /nfs/dbraw/zinc/26/83/38/838268338.db2.gz WFMJXHDQXKZGGS-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCOCCCN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267732540 838420632 /nfs/dbraw/zinc/42/06/32/838420632.db2.gz KEHQLPAPCQTCJA-HNNXBMFYSA-N 1 3 327.469 0.714 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418876194 282130928 /nfs/dbraw/zinc/13/09/28/282130928.db2.gz LURWPGXYTODEAL-CVEARBPZSA-N 1 3 332.448 0.225 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000410473546 282182625 /nfs/dbraw/zinc/18/26/25/282182625.db2.gz VGSFXRKWXOTEFF-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[NH+]1CCC(O)(CNC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000354742744 299112783 /nfs/dbraw/zinc/11/27/83/299112783.db2.gz ZCVDAOBPUUGJLI-UHFFFAOYSA-N 1 3 339.480 0.594 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000102047479 219182988 /nfs/dbraw/zinc/18/29/88/219182988.db2.gz YKBCXYKWNPBNRE-OAHLLOKOSA-N 1 3 341.500 0.569 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000102047479 219182992 /nfs/dbraw/zinc/18/29/92/219182992.db2.gz YKBCXYKWNPBNRE-OAHLLOKOSA-N 1 3 341.500 0.569 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)[C@@H]2C1 ZINC000425390168 210049321 /nfs/dbraw/zinc/04/93/21/210049321.db2.gz QPZRGGHBXGCRCZ-GVDBMIGSSA-N 1 3 348.491 0.626 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)[C@@H]2C1 ZINC000425378258 210045001 /nfs/dbraw/zinc/04/50/01/210045001.db2.gz BVXLGPPRCHWSMY-YESZJQIVSA-N 1 3 348.491 0.626 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355297425 299233405 /nfs/dbraw/zinc/23/34/05/299233405.db2.gz KPVPVWNFIMXKLP-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO C[NH2+][C@H]1CCCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000420431534 209365241 /nfs/dbraw/zinc/36/52/41/209365241.db2.gz FWGAEEIPTFTUMF-AWEZNQCLSA-N 1 3 343.497 0.434 20 0 ECADHO CCC(CC)(C[NH3+])NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420419941 209363721 /nfs/dbraw/zinc/36/37/21/209363721.db2.gz NDAIQPLMOKVFHY-UHFFFAOYSA-N 1 3 345.513 0.857 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000420412368 209362415 /nfs/dbraw/zinc/36/24/15/209362415.db2.gz CZWRVNTXWMOVSY-CYBMUJFWSA-N 1 3 329.470 0.092 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOCC(F)(F)C(F)F)C1 ZINC000420303393 209351111 /nfs/dbraw/zinc/35/11/11/209351111.db2.gz XHLKYVOFTAIEAZ-JTQLQIEISA-N 1 3 329.338 0.690 20 0 ECADHO CCN(CC)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420213957 209341522 /nfs/dbraw/zinc/34/15/22/209341522.db2.gz ZISTVMKMOZSFGR-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N1CCC[C@@H](C)C1 ZINC000420074581 209298629 /nfs/dbraw/zinc/29/86/29/209298629.db2.gz QTNDMHPWYQXOEJ-FMKPAKJESA-N 1 3 338.496 0.857 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000419988071 209269643 /nfs/dbraw/zinc/26/96/43/209269643.db2.gz XQIOMLZQQTVCJX-KRWDZBQOSA-N 1 3 348.491 0.985 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000419955911 209259658 /nfs/dbraw/zinc/25/96/58/209259658.db2.gz NRYXTOVMHJXAQM-GJZGRUSLSA-N 1 3 326.485 0.570 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000419955911 209259662 /nfs/dbraw/zinc/25/96/62/209259662.db2.gz NRYXTOVMHJXAQM-GJZGRUSLSA-N 1 3 326.485 0.570 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000419947203 209256322 /nfs/dbraw/zinc/25/63/22/209256322.db2.gz CFHAEHNGLJTBMF-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419927734 209251731 /nfs/dbraw/zinc/25/17/31/209251731.db2.gz KEGDHOSRQRSGTE-GOEBONIOSA-N 1 3 332.448 0.603 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419927734 209251737 /nfs/dbraw/zinc/25/17/37/209251737.db2.gz KEGDHOSRQRSGTE-GOEBONIOSA-N 1 3 332.448 0.603 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419858558 209227980 /nfs/dbraw/zinc/22/79/80/209227980.db2.gz IGDFZSJJHMDDPL-AWEZNQCLSA-N 1 3 338.477 0.492 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419858560 209228089 /nfs/dbraw/zinc/22/80/89/209228089.db2.gz IGDFZSJJHMDDPL-CQSZACIVSA-N 1 3 338.477 0.492 20 0 ECADHO CCN(C(=O)C(=O)NCC[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000419823940 209215495 /nfs/dbraw/zinc/21/54/95/209215495.db2.gz YXKHPZPNUQWICP-ZBFHGGJFSA-N 1 3 332.448 0.745 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000419731841 209191276 /nfs/dbraw/zinc/19/12/76/209191276.db2.gz RNJIMYKGANPUQH-ZIAGYGMSSA-N 1 3 332.448 0.792 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419723125 209188238 /nfs/dbraw/zinc/18/82/38/209188238.db2.gz NTWGXXJJLIFNAH-CQSZACIVSA-N 1 3 332.448 0.478 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419696819 284053207 /nfs/dbraw/zinc/05/32/07/284053207.db2.gz PFBBFVNFGWYGMN-SOUVJXGZSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@H](CN1C[C@@H](C(N)=O)CC[C@H]1C)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000247228853 243398699 /nfs/dbraw/zinc/39/86/99/243398699.db2.gz XMNBPMKPBVVEKQ-PWFLSRTFSA-N 1 3 338.496 0.794 20 0 ECADHO C[C@H](CN1C[C@@H](C(N)=O)CC[C@H]1C)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000247228853 243398708 /nfs/dbraw/zinc/39/87/08/243398708.db2.gz XMNBPMKPBVVEKQ-PWFLSRTFSA-N 1 3 338.496 0.794 20 0 ECADHO C[C@@H](CN1C[C@H](C(N)=O)CC[C@@H]1C)C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000247228853 243398711 /nfs/dbraw/zinc/39/87/11/243398711.db2.gz XMNBPMKPBVVEKQ-PWFLSRTFSA-N 1 3 338.496 0.794 20 0 ECADHO C[C@@H](CN1C[C@H](C(N)=O)CC[C@@H]1C)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000247228853 243398721 /nfs/dbraw/zinc/39/87/21/243398721.db2.gz XMNBPMKPBVVEKQ-PWFLSRTFSA-N 1 3 338.496 0.794 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)N(CCN)Cc1ccccc1)C1CCCC1 ZINC000419698736 209176389 /nfs/dbraw/zinc/17/63/89/209176389.db2.gz UBLFZAWCRMCACS-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)N(CCN)Cc1ccccc1)C1CCCC1 ZINC000419698736 209176392 /nfs/dbraw/zinc/17/63/92/209176392.db2.gz UBLFZAWCRMCACS-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419698518 209175487 /nfs/dbraw/zinc/17/54/87/209175487.db2.gz PRFBDSXPJSJAET-CABCVRRESA-N 1 3 326.485 0.585 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000419652087 209158442 /nfs/dbraw/zinc/15/84/42/209158442.db2.gz WZYUAEIUEHTJLR-IBGZPJMESA-N 1 3 344.459 0.576 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000419634258 209151802 /nfs/dbraw/zinc/15/18/02/209151802.db2.gz BYKFKKLTDRASIU-JYJNAYRXSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000419634258 209151806 /nfs/dbraw/zinc/15/18/06/209151806.db2.gz BYKFKKLTDRASIU-JYJNAYRXSA-N 1 3 336.480 0.753 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C1=CCN(C)CC1 ZINC000419632885 209150202 /nfs/dbraw/zinc/15/02/02/209150202.db2.gz YDMYUKLEVUDXAX-HIFRSBDPSA-N 1 3 336.480 0.647 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)N(C)C1CC1 ZINC000419580474 209132042 /nfs/dbraw/zinc/13/20/42/209132042.db2.gz HPXYUDGFWQCULD-ZDUSSCGKSA-N 1 3 336.480 0.576 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111867574 220214871 /nfs/dbraw/zinc/21/48/71/220214871.db2.gz NGHZCYLPLHFFCR-MRXNPFEDSA-N 1 3 342.484 0.101 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000339574333 297360529 /nfs/dbraw/zinc/36/05/29/297360529.db2.gz HVROBUGIXOCWSR-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000449707832 211294125 /nfs/dbraw/zinc/29/41/25/211294125.db2.gz DYQRPTFJEABHPS-GOSISDBHSA-N 1 3 346.475 0.693 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000446395186 211143954 /nfs/dbraw/zinc/14/39/54/211143954.db2.gz BYIPDWPASGRVGJ-KLHDSHLOSA-N 1 3 336.480 0.705 20 0 ECADHO CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCC(C[NH3+])CC2)CC1 ZINC000430632145 210392500 /nfs/dbraw/zinc/39/25/00/210392500.db2.gz WPHIOUAHEJZNGF-UHFFFAOYSA-N 1 3 338.496 0.763 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)C1 ZINC000415367849 208501821 /nfs/dbraw/zinc/50/18/21/208501821.db2.gz YZDRVQKDSCOJEE-HNNXBMFYSA-N 1 3 348.447 0.776 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415547139 208541184 /nfs/dbraw/zinc/54/11/84/208541184.db2.gz YUACQYBFMMMJAP-KGLIPLIRSA-N 1 3 348.447 0.761 20 0 ECADHO COCCN(CCN(C)C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418640563 208834162 /nfs/dbraw/zinc/83/41/62/208834162.db2.gz OQCRGEXNTMUSML-UHFFFAOYSA-N 1 3 330.473 0.222 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000419172055 209012443 /nfs/dbraw/zinc/01/24/43/209012443.db2.gz QJLLQDOGSPVXLS-GOEBONIOSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000419172055 209012445 /nfs/dbraw/zinc/01/24/45/209012445.db2.gz QJLLQDOGSPVXLS-GOEBONIOSA-N 1 3 338.496 0.857 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419218194 209030247 /nfs/dbraw/zinc/03/02/47/209030247.db2.gz RSYNFHHYUJCRBH-UHFFFAOYSA-N 1 3 348.447 0.065 20 0 ECADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N(C)CCN)C1 ZINC000419216411 209029665 /nfs/dbraw/zinc/02/96/65/209029665.db2.gz PKUHPVQYAMNMKD-HNNXBMFYSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N(C)CCN)C1 ZINC000419216411 209029667 /nfs/dbraw/zinc/02/96/67/209029667.db2.gz PKUHPVQYAMNMKD-HNNXBMFYSA-N 1 3 346.475 0.952 20 0 ECADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NCCN)CC1 ZINC000419181432 209015718 /nfs/dbraw/zinc/01/57/18/209015718.db2.gz BGCJOTFYDBMFPG-UHFFFAOYSA-N 1 3 332.448 0.610 20 0 ECADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCCNCC1 ZINC000419221204 209030937 /nfs/dbraw/zinc/03/09/37/209030937.db2.gz WBXOKSNAYHZDKZ-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCCNCC1 ZINC000419221204 209030940 /nfs/dbraw/zinc/03/09/40/209030940.db2.gz WBXOKSNAYHZDKZ-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419225513 209031675 /nfs/dbraw/zinc/03/16/75/209031675.db2.gz HHBUITJOSPRODP-KBMXLJTQSA-N 1 3 336.480 0.481 20 0 ECADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419225453 209032531 /nfs/dbraw/zinc/03/25/31/209032531.db2.gz HBINCOHJPHDRLW-HOTGVXAUSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419224150 209032956 /nfs/dbraw/zinc/03/29/56/209032956.db2.gz FHSDIPDQHBGNEJ-CVEARBPZSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)NCCN ZINC000419237645 209037327 /nfs/dbraw/zinc/03/73/27/209037327.db2.gz CLBZKZUTXGNCBE-KBPBESRZSA-N 1 3 332.448 0.334 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419290020 209051429 /nfs/dbraw/zinc/05/14/29/209051429.db2.gz UWWAZSUEYYJMEM-UHFFFAOYSA-N 1 3 332.448 0.754 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000419327312 209061289 /nfs/dbraw/zinc/06/12/89/209061289.db2.gz ZJSXEZGUKNAWGQ-XPKDYRNWSA-N 1 3 330.432 0.544 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419667579 285588867 /nfs/dbraw/zinc/58/88/67/285588867.db2.gz BZVFFGNPANZXKL-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041689022 781998305 /nfs/dbraw/zinc/99/83/05/781998305.db2.gz ZTGAKROSYLHJLO-DOTOQJQBSA-N 1 3 334.468 0.543 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCn3cncn3)C2)C1)N(C)C ZINC001041689022 781998308 /nfs/dbraw/zinc/99/83/08/781998308.db2.gz ZTGAKROSYLHJLO-DOTOQJQBSA-N 1 3 334.468 0.543 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000418862208 286824840 /nfs/dbraw/zinc/82/48/40/286824840.db2.gz GTDPMTFYMSOTSA-FHERZECASA-N 1 3 338.496 0.951 20 0 ECADHO CSCC[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000237305565 165095859 /nfs/dbraw/zinc/09/58/59/165095859.db2.gz LGMKDXZTIQZZEM-GJZGRUSLSA-N 1 3 328.526 0.695 20 0 ECADHO CSCC[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000237305565 165095862 /nfs/dbraw/zinc/09/58/62/165095862.db2.gz LGMKDXZTIQZZEM-GJZGRUSLSA-N 1 3 328.526 0.695 20 0 ECADHO CSCC[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000237312905 165096436 /nfs/dbraw/zinc/09/64/36/165096436.db2.gz HMJGZAWKRIBNMS-QWHCGFSZSA-N 1 3 330.498 0.126 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N(C)C ZINC000261662581 165223200 /nfs/dbraw/zinc/22/32/00/165223200.db2.gz BDJPIQDTRVPEPO-XHSDSOJGSA-N 1 3 338.496 0.679 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCN2C(=O)c3ccccc3C2=O)C1 ZINC000261686362 165227707 /nfs/dbraw/zinc/22/77/07/165227707.db2.gz NEDKHOXDIYFGON-ZDUSSCGKSA-N 1 3 344.415 0.070 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@@H]1N(C)C ZINC000331771575 296967637 /nfs/dbraw/zinc/96/76/37/296967637.db2.gz QEXHHUJNVMEMGP-WCVJEAGWSA-N 1 3 336.480 0.243 20 0 ECADHO COC(=O)c1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000619635969 421244802 /nfs/dbraw/zinc/24/48/02/421244802.db2.gz ZEOGXQJHEMCPFY-UHFFFAOYSA-N 1 3 338.412 0.220 20 0 ECADHO CC(C)[NH+](CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(C)C ZINC000173706857 263149688 /nfs/dbraw/zinc/14/96/88/263149688.db2.gz UCAHWRFFEZWGTG-OAHLLOKOSA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)NC(=O)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177383010 263153843 /nfs/dbraw/zinc/15/38/43/263153843.db2.gz BOHARNWVDFMSOU-CQSZACIVSA-N 1 3 341.500 0.567 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000229551617 263171511 /nfs/dbraw/zinc/17/15/11/263171511.db2.gz BXEKFDUVKNFJLD-SJORKVTESA-N 1 3 337.512 0.940 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000229551617 263171512 /nfs/dbraw/zinc/17/15/12/263171512.db2.gz BXEKFDUVKNFJLD-SJORKVTESA-N 1 3 337.512 0.940 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(=O)n1C ZINC000270267622 263232005 /nfs/dbraw/zinc/23/20/05/263232005.db2.gz XBJWKXUTNYJPJP-HNNXBMFYSA-N 1 3 334.464 0.873 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(=O)n1C ZINC000270267622 263232006 /nfs/dbraw/zinc/23/20/06/263232006.db2.gz XBJWKXUTNYJPJP-HNNXBMFYSA-N 1 3 334.464 0.873 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418825591 275594470 /nfs/dbraw/zinc/59/44/70/275594470.db2.gz ADSOMCYIJHVKQJ-SJORKVTESA-N 1 3 348.491 0.765 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415690806 276764281 /nfs/dbraw/zinc/76/42/81/276764281.db2.gz MJOMSGOSCIVKJX-SFHVURJKSA-N 1 3 332.448 0.927 20 0 ECADHO COC1(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000165566917 277180295 /nfs/dbraw/zinc/18/02/95/277180295.db2.gz AHAGYOQJPLBXNK-GJZGRUSLSA-N 1 3 327.469 0.761 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000340212233 437598809 /nfs/dbraw/zinc/59/88/09/437598809.db2.gz BQVGCLBOEHZEGV-PMPSAXMXSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000340212233 437598824 /nfs/dbraw/zinc/59/88/24/437598824.db2.gz BQVGCLBOEHZEGV-PMPSAXMXSA-N 1 3 336.480 0.578 20 0 ECADHO CCN(CC)C(=O)[C@H](C)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261777748 279077497 /nfs/dbraw/zinc/07/74/97/279077497.db2.gz XPFJFSQENXXXNI-XHSDSOJGSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000236841167 279087716 /nfs/dbraw/zinc/08/77/16/279087716.db2.gz GFWJPAJEEZXPLO-HNNXBMFYSA-N 1 3 336.480 0.389 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420030745 279096707 /nfs/dbraw/zinc/09/67/07/279096707.db2.gz GUWWQBFCAMMAKP-CHWSQXEVSA-N 1 3 328.457 0.064 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1=O ZINC000435242455 279303646 /nfs/dbraw/zinc/30/36/46/279303646.db2.gz ZUPOMXGAZOXNPM-BHYGNILZSA-N 1 3 348.491 0.672 20 0 ECADHO CCN1CCN(CCC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432549201 279355749 /nfs/dbraw/zinc/35/57/49/279355749.db2.gz IBYFZXZYRJNMIU-KRWDZBQOSA-N 1 3 340.512 0.631 20 0 ECADHO CCN1CCN(CCC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432549201 279355752 /nfs/dbraw/zinc/35/57/52/279355752.db2.gz IBYFZXZYRJNMIU-KRWDZBQOSA-N 1 3 340.512 0.631 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000340212458 437602920 /nfs/dbraw/zinc/60/29/20/437602920.db2.gz PDVPTRYEWJTEPN-CVEARBPZSA-N 1 3 338.496 0.633 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000340212458 437602923 /nfs/dbraw/zinc/60/29/23/437602923.db2.gz PDVPTRYEWJTEPN-CVEARBPZSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCC[NH2+]C1 ZINC000420105322 280155406 /nfs/dbraw/zinc/15/54/06/280155406.db2.gz QGLPLIHNKKKQEA-QAPCUYQASA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000340221893 437610901 /nfs/dbraw/zinc/61/09/01/437610901.db2.gz YSOSJRWJAPVRLS-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459316144 289036987 /nfs/dbraw/zinc/03/69/87/289036987.db2.gz QEGAAGKKDREQTC-OWCLPIDISA-N 1 3 326.485 0.815 20 0 ECADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459316144 289036988 /nfs/dbraw/zinc/03/69/88/289036988.db2.gz QEGAAGKKDREQTC-OWCLPIDISA-N 1 3 326.485 0.815 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3C)C1)CC2 ZINC000410727987 290317456 /nfs/dbraw/zinc/31/74/56/290317456.db2.gz CWIZAZINZUUYRS-NCOADZHNSA-N 1 3 348.491 0.624 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@H+]3C)C1)CC2 ZINC000410727987 290317457 /nfs/dbraw/zinc/31/74/57/290317457.db2.gz CWIZAZINZUUYRS-NCOADZHNSA-N 1 3 348.491 0.624 20 0 ECADHO [NH3+]C1CCC(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CC1 ZINC000419884144 295210612 /nfs/dbraw/zinc/21/06/12/295210612.db2.gz XFFFLNHBYYMIOF-UYSNPLJNSA-N 1 3 336.480 0.849 20 0 ECADHO CC(CN1CC[C@@]2(CNC(=O)C2)C1)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000333077895 297107340 /nfs/dbraw/zinc/10/73/40/297107340.db2.gz WJRUHIFMHUWMFK-QZTJIDSGSA-N 1 3 334.464 0.047 20 0 ECADHO CC(CN1CC[C@@]2(CNC(=O)C2)C1)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000333077895 297107341 /nfs/dbraw/zinc/10/73/41/297107341.db2.gz WJRUHIFMHUWMFK-QZTJIDSGSA-N 1 3 334.464 0.047 20 0 ECADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000333250320 297120930 /nfs/dbraw/zinc/12/09/30/297120930.db2.gz CKQQMYHEVTYDGY-DZGCQCFKSA-N 1 3 347.467 0.736 20 0 ECADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000333250320 297120932 /nfs/dbraw/zinc/12/09/32/297120932.db2.gz CKQQMYHEVTYDGY-DZGCQCFKSA-N 1 3 347.467 0.736 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)CC[N@@H+]1C ZINC000333314398 297123495 /nfs/dbraw/zinc/12/34/95/297123495.db2.gz MDHSLKQWCPRKSY-CHWSQXEVSA-N 1 3 333.440 0.490 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)CC[N@H+]1C ZINC000333314398 297123496 /nfs/dbraw/zinc/12/34/96/297123496.db2.gz MDHSLKQWCPRKSY-CHWSQXEVSA-N 1 3 333.440 0.490 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2N)cn1 ZINC000333568947 297142634 /nfs/dbraw/zinc/14/26/34/297142634.db2.gz MDRNPVTXESQNHQ-FXUDXRNXSA-N 1 3 334.468 0.729 20 0 ECADHO C[C@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000333701430 297148248 /nfs/dbraw/zinc/14/82/48/297148248.db2.gz DJWNUTXEWNCTTE-LSDHHAIUSA-N 1 3 325.501 0.700 20 0 ECADHO C[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC(C)CC1 ZINC000333849221 297152074 /nfs/dbraw/zinc/15/20/74/297152074.db2.gz WWVKBETUHTXEEL-IAGOWNOFSA-N 1 3 337.512 0.796 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333890175 297154471 /nfs/dbraw/zinc/15/44/71/297154471.db2.gz YAKVNOSFWBPGDB-CABCVRRESA-N 1 3 339.484 0.180 20 0 ECADHO CN(C)CCN(C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000334076361 297161680 /nfs/dbraw/zinc/16/16/80/297161680.db2.gz IQXDMJZMRSJMQT-HOTGVXAUSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[NH2+]1 ZINC000418847951 297268410 /nfs/dbraw/zinc/26/84/10/297268410.db2.gz KIDJHDSINIIBSU-HYVNUMGLSA-N 1 3 346.475 0.532 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000338842456 297300684 /nfs/dbraw/zinc/30/06/84/297300684.db2.gz XKPUADFYDGAGTH-UHFFFAOYSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[N@@H+]1C ZINC000339617002 297365325 /nfs/dbraw/zinc/36/53/25/297365325.db2.gz OOCYAQYOQUDSDL-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[N@H+]1C ZINC000339617002 297365327 /nfs/dbraw/zinc/36/53/27/297365327.db2.gz OOCYAQYOQUDSDL-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339744643 297377091 /nfs/dbraw/zinc/37/70/91/297377091.db2.gz IGUVRYMTKKJOAR-UHFFFAOYSA-N 1 3 346.475 0.919 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000340784256 297543286 /nfs/dbraw/zinc/54/32/86/297543286.db2.gz WLYAZMCQUHHHNZ-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419139136 297556627 /nfs/dbraw/zinc/55/66/27/297556627.db2.gz SAXXWHWKVJUFLB-REWJHTLYSA-N 1 3 340.468 0.205 20 0 ECADHO C[C@H]1CCCN1C(=O)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000345186009 298127312 /nfs/dbraw/zinc/12/73/12/298127312.db2.gz JOFVVODYHKPZLL-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCCN1C ZINC000345656390 298180925 /nfs/dbraw/zinc/18/09/25/298180925.db2.gz DTEZYQIWQIXDCP-GOEBONIOSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCCN1C ZINC000345656394 298181293 /nfs/dbraw/zinc/18/12/93/298181293.db2.gz DTEZYQIWQIXDCP-ZBFHGGJFSA-N 1 3 325.501 0.794 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345718286 298187059 /nfs/dbraw/zinc/18/70/59/298187059.db2.gz OHDMZQISPSAOIN-RVKKMQEKSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CN(C)C)NC(=O)c1cc(C(=O)N[C@@H](C)C[NH+](C)C)ccn1 ZINC000346183019 298234372 /nfs/dbraw/zinc/23/43/72/298234372.db2.gz MTNTWHSONGOFSZ-QWHCGFSZSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)c1cc(C(=O)N[C@@H](C)CN(C)C)ccn1 ZINC000346183019 298234374 /nfs/dbraw/zinc/23/43/74/298234374.db2.gz MTNTWHSONGOFSZ-QWHCGFSZSA-N 1 3 335.452 0.441 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000346532647 298288157 /nfs/dbraw/zinc/28/81/57/298288157.db2.gz PGCCKDIUFMRXOE-CRJCFHLZSA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000346532647 298288159 /nfs/dbraw/zinc/28/81/59/298288159.db2.gz PGCCKDIUFMRXOE-CRJCFHLZSA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000346532647 298288163 /nfs/dbraw/zinc/28/81/63/298288163.db2.gz PGCCKDIUFMRXOE-CRJCFHLZSA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000346532647 298288168 /nfs/dbraw/zinc/28/81/68/298288168.db2.gz PGCCKDIUFMRXOE-CRJCFHLZSA-N 1 3 334.464 0.184 20 0 ECADHO C[C@H](CO)N1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000346694852 298320015 /nfs/dbraw/zinc/32/00/15/298320015.db2.gz WQCUTXJFVPUMAX-OAHLLOKOSA-N 1 3 338.496 0.118 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000351558692 298787159 /nfs/dbraw/zinc/78/71/59/298787159.db2.gz NBYCTFCIFGVZEE-OAHLLOKOSA-N 1 3 334.420 0.434 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CCC(=O)NC)CC1 ZINC000353186067 299020441 /nfs/dbraw/zinc/02/04/41/299020441.db2.gz UZABFVWSHXUVGN-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000360677417 300013903 /nfs/dbraw/zinc/01/39/03/300013903.db2.gz YOOSSYZVQDPSJY-HIFRSBDPSA-N 1 3 330.498 0.444 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361028311 300053823 /nfs/dbraw/zinc/05/38/23/300053823.db2.gz DXSJTLSJERMRKJ-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361028311 300053825 /nfs/dbraw/zinc/05/38/25/300053825.db2.gz DXSJTLSJERMRKJ-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CCC[C@@H](C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1)N(C)C ZINC000364423475 300355760 /nfs/dbraw/zinc/35/57/60/300355760.db2.gz XBGJJWDHPXHCBX-KRWDZBQOSA-N 1 3 340.512 0.583 20 0 ECADHO CCC[C@@H](C(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1)N(C)C ZINC000364423475 300355763 /nfs/dbraw/zinc/35/57/63/300355763.db2.gz XBGJJWDHPXHCBX-KRWDZBQOSA-N 1 3 340.512 0.583 20 0 ECADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000365083796 300417064 /nfs/dbraw/zinc/41/70/64/300417064.db2.gz IHBZTJLOOLRANM-JKSUJKDBSA-N 1 3 347.463 0.927 20 0 ECADHO C[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000074654567 436133327 /nfs/dbraw/zinc/13/33/27/436133327.db2.gz BBTVSEXFNLMVJO-INIZCTEOSA-N 1 3 339.528 0.853 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345578 436122566 /nfs/dbraw/zinc/12/25/66/436122566.db2.gz XOSWVIAPNVCPSX-LSDHHAIUSA-N 1 3 339.484 0.357 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345578 436122569 /nfs/dbraw/zinc/12/25/69/436122569.db2.gz XOSWVIAPNVCPSX-LSDHHAIUSA-N 1 3 339.484 0.357 20 0 ECADHO NC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000373895367 301086805 /nfs/dbraw/zinc/08/68/05/301086805.db2.gz XAAGQNMPKDAJJZ-JKSUJKDBSA-N 1 3 332.448 0.750 20 0 ECADHO NC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000373895367 301086809 /nfs/dbraw/zinc/08/68/09/301086809.db2.gz XAAGQNMPKDAJJZ-JKSUJKDBSA-N 1 3 332.448 0.750 20 0 ECADHO CN1CCN(CC2(C)CC[NH+](CCCC(=O)NC(N)=O)CC2)CC1 ZINC000375236760 301161442 /nfs/dbraw/zinc/16/14/42/301161442.db2.gz IWAIYAZXHMYWMX-UHFFFAOYSA-N 1 3 339.484 0.311 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)C1(n2cccn2)CC[NH2+]CC1 ZINC000375967525 301223741 /nfs/dbraw/zinc/22/37/41/301223741.db2.gz CUYALQIXRPPDCZ-QGZVFWFLSA-N 1 3 339.443 0.965 20 0 ECADHO CN1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000376231276 301245234 /nfs/dbraw/zinc/24/52/34/301245234.db2.gz ZXBBLRKLKLSREY-CQSZACIVSA-N 1 3 337.468 0.075 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCCC(=O)N3)CC2)CC1 ZINC000377351666 301343016 /nfs/dbraw/zinc/34/30/16/301343016.db2.gz CMFQNADCNUKXGI-HNNXBMFYSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)NCCCCN1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000077593395 436242236 /nfs/dbraw/zinc/24/22/36/436242236.db2.gz HFCNANOTQPNYLP-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@H](CNC(=O)NCCCCN1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000077593395 436242241 /nfs/dbraw/zinc/24/22/41/436242241.db2.gz HFCNANOTQPNYLP-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO COCCN(C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077662533 436245365 /nfs/dbraw/zinc/24/53/65/436245365.db2.gz ACTZILZHQYATPC-HNNXBMFYSA-N 1 3 342.484 0.365 20 0 ECADHO Cc1ccc(S(=O)(=O)N2CCC(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000515218205 301633905 /nfs/dbraw/zinc/63/39/05/301633905.db2.gz VIRAGBMAKZJISA-FVQHAEBGSA-N 1 3 335.473 0.956 20 0 ECADHO CN1CC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000050799085 436478368 /nfs/dbraw/zinc/47/83/68/436478368.db2.gz BIBOAXALJJAFDA-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+]1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000103298106 436554546 /nfs/dbraw/zinc/55/45/46/436554546.db2.gz HLVNPJCGGYVETA-UHFFFAOYSA-N 1 3 337.468 0.030 20 0 ECADHO CCN(CCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000104800567 436564271 /nfs/dbraw/zinc/56/42/71/436564271.db2.gz OOECBLLPFRDRFI-AWEZNQCLSA-N 1 3 339.484 0.357 20 0 ECADHO CCN(CCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000104800567 436564273 /nfs/dbraw/zinc/56/42/73/436564273.db2.gz OOECBLLPFRDRFI-AWEZNQCLSA-N 1 3 339.484 0.357 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000530906569 302034666 /nfs/dbraw/zinc/03/46/66/302034666.db2.gz KFTZPSSHWOAGQX-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000530906569 302034670 /nfs/dbraw/zinc/03/46/70/302034670.db2.gz KFTZPSSHWOAGQX-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000195519255 436694041 /nfs/dbraw/zinc/69/40/41/436694041.db2.gz NRZPRIYTMBHYDD-SFHVURJKSA-N 1 3 333.476 0.980 20 0 ECADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(CC[NH+](C)C)CC1 ZINC000067119455 436705200 /nfs/dbraw/zinc/70/52/00/436705200.db2.gz AZIMRCNUIRHJKG-ZBFHGGJFSA-N 1 3 338.496 0.763 20 0 ECADHO CC(C)CN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CC(C)C)CC1 ZINC000065962504 436676333 /nfs/dbraw/zinc/67/63/33/436676333.db2.gz GCHYBVAYULEWOD-UHFFFAOYSA-N 1 3 340.512 0.833 20 0 ECADHO CC(C)CN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CC(C)C)CC1 ZINC000065962504 436676338 /nfs/dbraw/zinc/67/63/38/436676338.db2.gz GCHYBVAYULEWOD-UHFFFAOYSA-N 1 3 340.512 0.833 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C)N(C)C ZINC000152095240 436719983 /nfs/dbraw/zinc/71/99/83/436719983.db2.gz JGKMIXGJORFNND-QLFBSQMISA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)N(C)C)C[C@H]1C)[NH+](C)C ZINC000152095240 436719987 /nfs/dbraw/zinc/71/99/87/436719987.db2.gz JGKMIXGJORFNND-QLFBSQMISA-N 1 3 326.485 0.726 20 0 ECADHO COCC[NH2+]CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000237271763 436730055 /nfs/dbraw/zinc/73/00/55/436730055.db2.gz DHJVJMMIUVWPJS-UHFFFAOYSA-N 1 3 334.464 0.551 20 0 ECADHO CCCn1nccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130626429 436841148 /nfs/dbraw/zinc/84/11/48/436841148.db2.gz MZPVOQDPWXCATR-UHFFFAOYSA-N 1 3 338.456 0.183 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCO1 ZINC000274846085 436882612 /nfs/dbraw/zinc/88/26/12/436882612.db2.gz XNFBZRVHEZEBSI-QGZVFWFLSA-N 1 3 332.448 0.385 20 0 ECADHO COCC[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000171194345 436971666 /nfs/dbraw/zinc/97/16/66/436971666.db2.gz SPUSQTQPWMRWGZ-INIZCTEOSA-N 1 3 343.516 0.136 20 0 ECADHO COCC[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000171194345 436971669 /nfs/dbraw/zinc/97/16/69/436971669.db2.gz SPUSQTQPWMRWGZ-INIZCTEOSA-N 1 3 343.516 0.136 20 0 ECADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262466486 436934908 /nfs/dbraw/zinc/93/49/08/436934908.db2.gz GHIRCTDGNRCESP-ZWKOTPCHSA-N 1 3 346.475 0.428 20 0 ECADHO CN(CCN1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167703885 436941895 /nfs/dbraw/zinc/94/18/95/436941895.db2.gz VKWQZVVEURCWBO-SFHVURJKSA-N 1 3 330.476 0.872 20 0 ECADHO CN(C)C/C=C/C(=O)N[C@H](CNC(=O)/C=C/C[NH+](C)C)C(C)(C)C ZINC000281787441 436997509 /nfs/dbraw/zinc/99/75/09/436997509.db2.gz VJXNFRWWUGEYDH-KZNHIVHXSA-N 1 3 338.496 0.869 20 0 ECADHO CN(C)C/C=C/C(=O)NC[C@@H](NC(=O)/C=C/C[NH+](C)C)C(C)(C)C ZINC000281787441 436997511 /nfs/dbraw/zinc/99/75/11/436997511.db2.gz VJXNFRWWUGEYDH-KZNHIVHXSA-N 1 3 338.496 0.869 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000331483629 437103906 /nfs/dbraw/zinc/10/39/06/437103906.db2.gz XPIDNHZKCGDBAX-UGUYLWEFSA-N 1 3 336.480 0.291 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(=O)n(C)c1 ZINC000299729266 437105511 /nfs/dbraw/zinc/10/55/11/437105511.db2.gz VTLPWJISBLNRGD-INIZCTEOSA-N 1 3 334.464 0.873 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(=O)n(C)c1 ZINC000299729266 437105514 /nfs/dbraw/zinc/10/55/14/437105514.db2.gz VTLPWJISBLNRGD-INIZCTEOSA-N 1 3 334.464 0.873 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000331582253 437124926 /nfs/dbraw/zinc/12/49/26/437124926.db2.gz LXRLAAQURCQUPH-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000331582253 437124929 /nfs/dbraw/zinc/12/49/29/437124929.db2.gz LXRLAAQURCQUPH-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000332085591 437204723 /nfs/dbraw/zinc/20/47/23/437204723.db2.gz FSISODBLKXAXRQ-QKPAOTATSA-N 1 3 336.480 0.576 20 0 ECADHO O=c1[nH]c2ccccc2n1CCCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000326406330 437233912 /nfs/dbraw/zinc/23/39/12/437233912.db2.gz MNPPVTPEBFGKGS-OAHLLOKOSA-N 1 3 329.448 0.699 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000179311176 437259202 /nfs/dbraw/zinc/25/92/02/437259202.db2.gz XQCRSIISPVRVOM-INIZCTEOSA-N 1 3 325.501 0.748 20 0 ECADHO CC1(C)CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCN1 ZINC000333631681 437279642 /nfs/dbraw/zinc/27/96/42/437279642.db2.gz GTBRTKJSBSPRAD-NSHDSACASA-N 1 3 337.390 0.216 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333726799 437283436 /nfs/dbraw/zinc/28/34/36/437283436.db2.gz HEHJLVZYPTVQII-IKGGRYGDSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000183250932 437381093 /nfs/dbraw/zinc/38/10/93/437381093.db2.gz RJJSZZHBUNRZNF-CVEARBPZSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000183250932 437381099 /nfs/dbraw/zinc/38/10/99/437381099.db2.gz RJJSZZHBUNRZNF-CVEARBPZSA-N 1 3 337.512 0.891 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)Nc2ccc(OCC[NH3+])cc2)CC1=O ZINC000183266124 437381920 /nfs/dbraw/zinc/38/19/20/437381920.db2.gz KKLYZVJSHQPDNH-CYBMUJFWSA-N 1 3 334.420 0.373 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339952825 437528045 /nfs/dbraw/zinc/52/80/45/437528045.db2.gz KJZVIVCDAGAPDP-HOCLYGCPSA-N 1 3 336.480 0.718 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339952824 437528103 /nfs/dbraw/zinc/52/81/03/437528103.db2.gz KJZVIVCDAGAPDP-GOEBONIOSA-N 1 3 336.480 0.718 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000360160696 437541080 /nfs/dbraw/zinc/54/10/80/437541080.db2.gz FDWGKYUJUCXGIZ-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000360160696 437541086 /nfs/dbraw/zinc/54/10/86/437541086.db2.gz FDWGKYUJUCXGIZ-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCN1C ZINC000343672550 437624033 /nfs/dbraw/zinc/62/40/33/437624033.db2.gz MCYJTNAQPCIJHX-HOCLYGCPSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCN1C ZINC000343672550 437624035 /nfs/dbraw/zinc/62/40/35/437624035.db2.gz MCYJTNAQPCIJHX-HOCLYGCPSA-N 1 3 338.496 0.918 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000360185408 437550797 /nfs/dbraw/zinc/55/07/97/437550797.db2.gz RSKUASUHENNIBN-UHFFFAOYSA-N 1 3 326.485 0.824 20 0 ECADHO CCN1CCN(CC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000343680504 437624580 /nfs/dbraw/zinc/62/45/80/437624580.db2.gz OQSVEWGQROLMOU-KRWDZBQOSA-N 1 3 339.528 0.014 20 0 ECADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343695800 437629209 /nfs/dbraw/zinc/62/92/09/437629209.db2.gz QRAYBASYCCEMSC-SJORKVTESA-N 1 3 336.480 0.136 20 0 ECADHO C[C@@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1C1CCN(C)CC1 ZINC000343707699 437633042 /nfs/dbraw/zinc/63/30/42/437633042.db2.gz BKGHHQDNVQJKNX-QRQLOZEOSA-N 1 3 336.524 0.950 20 0 ECADHO C[C@@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1C1CCN(C)CC1 ZINC000343707699 437633052 /nfs/dbraw/zinc/63/30/52/437633052.db2.gz BKGHHQDNVQJKNX-QRQLOZEOSA-N 1 3 336.524 0.950 20 0 ECADHO C[C@@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)CCN1C1CC[NH+](C)CC1 ZINC000343707699 437633060 /nfs/dbraw/zinc/63/30/60/437633060.db2.gz BKGHHQDNVQJKNX-QRQLOZEOSA-N 1 3 336.524 0.950 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000340509124 437677669 /nfs/dbraw/zinc/67/76/69/437677669.db2.gz FIPMDKIFGVPOQJ-CABCVRRESA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000340509124 437677672 /nfs/dbraw/zinc/67/76/72/437677672.db2.gz FIPMDKIFGVPOQJ-CABCVRRESA-N 1 3 348.491 0.720 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000362751359 437751678 /nfs/dbraw/zinc/75/16/78/437751678.db2.gz FSOBJRCTXOCBIJ-HUUCEWRRSA-N 1 3 339.484 0.275 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000362751359 437751682 /nfs/dbraw/zinc/75/16/82/437751682.db2.gz FSOBJRCTXOCBIJ-HUUCEWRRSA-N 1 3 339.484 0.275 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000362751360 437752143 /nfs/dbraw/zinc/75/21/43/437752143.db2.gz FSOBJRCTXOCBIJ-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000362751360 437752146 /nfs/dbraw/zinc/75/21/46/437752146.db2.gz FSOBJRCTXOCBIJ-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423747032 437824195 /nfs/dbraw/zinc/82/41/95/437824195.db2.gz OOUVOGOTLGAFSQ-HUUCEWRRSA-N 1 3 325.453 0.862 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)ccc1OCCN(C)C ZINC000415292861 437776452 /nfs/dbraw/zinc/77/64/52/437776452.db2.gz KNYJBGJERDFTDX-CYBMUJFWSA-N 1 3 334.420 0.434 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000356522936 437776847 /nfs/dbraw/zinc/77/68/47/437776847.db2.gz LSMSQPWGAIDRPQ-HUUCEWRRSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000356522936 437776853 /nfs/dbraw/zinc/77/68/53/437776853.db2.gz LSMSQPWGAIDRPQ-HUUCEWRRSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCCC[C@@H]1CN)C(C)C ZINC000423622464 437782899 /nfs/dbraw/zinc/78/28/99/437782899.db2.gz MRQADHLZEHJQHX-OAHLLOKOSA-N 1 3 326.485 0.903 20 0 ECADHO CC(C)CN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1CC[NH+](C)CC1 ZINC000423770296 437829645 /nfs/dbraw/zinc/82/96/45/437829645.db2.gz ZXBSSWXDYLMKIB-INIZCTEOSA-N 1 3 326.485 0.665 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000370764078 437831885 /nfs/dbraw/zinc/83/18/85/437831885.db2.gz VDRCIGJGWXMFPS-ZDUSSCGKSA-N 1 3 332.452 0.949 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000370773870 437837099 /nfs/dbraw/zinc/83/70/99/437837099.db2.gz PPQVYNOXDSDBIQ-FUHWJXTLSA-N 1 3 340.512 0.392 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]2(CCOC)CC[NH2+]C2)CC1 ZINC000370773872 437837289 /nfs/dbraw/zinc/83/72/89/437837289.db2.gz PPQVYNOXDSDBIQ-WMZOPIPTSA-N 1 3 340.512 0.392 20 0 ECADHO CN(C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)C1CNC1 ZINC000415744437 437851496 /nfs/dbraw/zinc/85/14/96/437851496.db2.gz OUSDIWACBAUUDV-UHFFFAOYSA-N 1 3 330.432 0.692 20 0 ECADHO CN(C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)C1CNC1 ZINC000415744437 437851501 /nfs/dbraw/zinc/85/15/01/437851501.db2.gz OUSDIWACBAUUDV-UHFFFAOYSA-N 1 3 330.432 0.692 20 0 ECADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCC(N)=O ZINC000365566279 437932162 /nfs/dbraw/zinc/93/21/62/437932162.db2.gz LTRNTMDRPLLMBY-SJORKVTESA-N 1 3 346.475 0.950 20 0 ECADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCC(N)=O ZINC000365566279 437932164 /nfs/dbraw/zinc/93/21/64/437932164.db2.gz LTRNTMDRPLLMBY-SJORKVTESA-N 1 3 346.475 0.950 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC3(CC[NH2+]3)CC2)CC1=O ZINC000424050549 437883196 /nfs/dbraw/zinc/88/31/96/437883196.db2.gz DODIMTZFZLVRGC-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000371270971 437907588 /nfs/dbraw/zinc/90/75/88/437907588.db2.gz KQPAUKWHIFMIIN-HNNXBMFYSA-N 1 3 348.495 0.486 20 0 ECADHO CC(C)[NH+](CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(C)C ZINC000424453331 437939104 /nfs/dbraw/zinc/93/91/04/437939104.db2.gz KRYRXDCTRZLNHN-JKSUJKDBSA-N 1 3 336.484 0.975 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](NC)c2cnn(C)c2)CC1 ZINC000357247850 437945949 /nfs/dbraw/zinc/94/59/49/437945949.db2.gz QHMZLTJZNLBDPC-GOEBONIOSA-N 1 3 336.484 0.070 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342080277 437960420 /nfs/dbraw/zinc/96/04/20/437960420.db2.gz TZGBCDZNUTXSHI-CQSZACIVSA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000342080277 437960429 /nfs/dbraw/zinc/96/04/29/437960429.db2.gz TZGBCDZNUTXSHI-CQSZACIVSA-N 1 3 326.485 0.632 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424528064 437966566 /nfs/dbraw/zinc/96/65/66/437966566.db2.gz TVMAONCKULRXJO-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000366089056 438016046 /nfs/dbraw/zinc/01/60/46/438016046.db2.gz LTUOCUUDXJOKKT-AWEZNQCLSA-N 1 3 348.495 0.934 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000366089056 438016055 /nfs/dbraw/zinc/01/60/55/438016055.db2.gz LTUOCUUDXJOKKT-AWEZNQCLSA-N 1 3 348.495 0.934 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000366089056 438016059 /nfs/dbraw/zinc/01/60/59/438016059.db2.gz LTUOCUUDXJOKKT-AWEZNQCLSA-N 1 3 348.495 0.934 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000366089056 438016064 /nfs/dbraw/zinc/01/60/64/438016064.db2.gz LTUOCUUDXJOKKT-AWEZNQCLSA-N 1 3 348.495 0.934 20 0 ECADHO COCC1(CNC(=O)NC[C@]2(N(C)C)CCSC2)CC[NH2+]CC1 ZINC000417813760 438081012 /nfs/dbraw/zinc/08/10/12/438081012.db2.gz GYUUZUULBNPMCV-MRXNPFEDSA-N 1 3 344.525 0.739 20 0 ECADHO O=C(NCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@@H]1CCCN1C1CC1 ZINC000342947971 438092563 /nfs/dbraw/zinc/09/25/63/438092563.db2.gz UPMFASAHEGVLJC-IRXDYDNUSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NCCCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@@H]1CCCN1C1CC1 ZINC000342947971 438092566 /nfs/dbraw/zinc/09/25/66/438092566.db2.gz UPMFASAHEGVLJC-IRXDYDNUSA-N 1 3 348.491 0.863 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000348759751 438093817 /nfs/dbraw/zinc/09/38/17/438093817.db2.gz CLGDGPSFYVNRRQ-ZBFHGGJFSA-N 1 3 336.480 0.696 20 0 ECADHO COC(=O)CC[C@H]([NH3+])C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000342698464 438051939 /nfs/dbraw/zinc/05/19/39/438051939.db2.gz UBEIIYYKOODWOL-IHRRRGAJSA-N 1 3 329.441 0.273 20 0 ECADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@H](N)CCC(=O)OC)CC1 ZINC000342702724 438052373 /nfs/dbraw/zinc/05/23/73/438052373.db2.gz ZKFNYVHGBSCWEF-CYBMUJFWSA-N 1 3 337.424 0.759 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417470804 438054860 /nfs/dbraw/zinc/05/48/60/438054860.db2.gz FOQAZBNHFLIIOA-CYBMUJFWSA-N 1 3 335.452 0.515 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417583629 438061371 /nfs/dbraw/zinc/06/13/71/438061371.db2.gz KXVAHFVZHHCIQD-HUUCEWRRSA-N 1 3 339.484 0.357 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CNCCO2)[C@H](C)C1 ZINC000417671263 438066296 /nfs/dbraw/zinc/06/62/96/438066296.db2.gz PYOMPHJUOZYANT-OAGGEKHMSA-N 1 3 342.484 0.411 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CNCCO2)[C@H](C)C1 ZINC000417671263 438066302 /nfs/dbraw/zinc/06/63/02/438066302.db2.gz PYOMPHJUOZYANT-OAGGEKHMSA-N 1 3 342.484 0.411 20 0 ECADHO C[C@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000418179176 438116577 /nfs/dbraw/zinc/11/65/77/438116577.db2.gz XGRDZSDDKJQHJO-LSDHHAIUSA-N 1 3 325.501 0.781 20 0 ECADHO COC[C@@]1(CNC(=O)NCC2(SC)CCN(C)CC2)CCC[NH2+]1 ZINC000418195462 438118613 /nfs/dbraw/zinc/11/86/13/438118613.db2.gz GAZVYJUOMJBSJV-HNNXBMFYSA-N 1 3 344.525 0.882 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CCOC2CNC2)[C@H](C)C1 ZINC000349000449 438124715 /nfs/dbraw/zinc/12/47/15/438124715.db2.gz NHRDLQRNPTXRMQ-ZBFHGGJFSA-N 1 3 327.469 0.618 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CCOC2CNC2)[C@H](C)C1 ZINC000349000449 438124719 /nfs/dbraw/zinc/12/47/19/438124719.db2.gz NHRDLQRNPTXRMQ-ZBFHGGJFSA-N 1 3 327.469 0.618 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)CCOC3C[NH2+]C3)cc2)CC1 ZINC000349006978 438125249 /nfs/dbraw/zinc/12/52/49/438125249.db2.gz URXHMNOCAKDPTR-UHFFFAOYSA-N 1 3 346.475 0.429 20 0 ECADHO C[C@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)CC[C@H]1[NH3+] ZINC000430942714 438133952 /nfs/dbraw/zinc/13/39/52/438133952.db2.gz DMYSZBNHKAZMIE-LSDHHAIUSA-N 1 3 332.452 0.184 20 0 ECADHO NC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000430893050 438128246 /nfs/dbraw/zinc/12/82/46/438128246.db2.gz HNQVNQASFRCPHN-HOTGVXAUSA-N 1 3 332.448 0.433 20 0 ECADHO NC[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000430893050 438128249 /nfs/dbraw/zinc/12/82/49/438128249.db2.gz HNQVNQASFRCPHN-HOTGVXAUSA-N 1 3 332.448 0.433 20 0 ECADHO CC[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418324400 438131115 /nfs/dbraw/zinc/13/11/15/438131115.db2.gz GXWSTZODPAFBCJ-IAGOWNOFSA-N 1 3 334.464 0.778 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000418401941 438140788 /nfs/dbraw/zinc/14/07/88/438140788.db2.gz IGNAVFWDCOSIJL-AWEZNQCLSA-N 1 3 327.473 0.165 20 0 ECADHO O=C(COC1C[NH2+]C1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000431011070 438142849 /nfs/dbraw/zinc/14/28/49/438142849.db2.gz SYCNSTVDRPGWSS-UHFFFAOYSA-N 1 3 346.475 0.299 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000358089106 438148875 /nfs/dbraw/zinc/14/88/75/438148875.db2.gz BUGIRBADPRFAEG-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000358089106 438148879 /nfs/dbraw/zinc/14/88/79/438148879.db2.gz BUGIRBADPRFAEG-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](O)COC(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373897814 438174603 /nfs/dbraw/zinc/17/46/03/438174603.db2.gz CXUSOPRAVIFIIY-HRCADAONSA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H](O)COC(=O)CC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000373897814 438174606 /nfs/dbraw/zinc/17/46/06/438174606.db2.gz CXUSOPRAVIFIIY-HRCADAONSA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H](O)COC(=O)CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000373897814 438174609 /nfs/dbraw/zinc/17/46/09/438174609.db2.gz CXUSOPRAVIFIIY-HRCADAONSA-N 1 3 327.469 0.258 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)CN2CCCC2=O)[C@@H](C)C1 ZINC000358239759 438188054 /nfs/dbraw/zinc/18/80/54/438188054.db2.gz YXZNZLJSLMNVSH-ULQDDVLXSA-N 1 3 341.496 0.696 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)CN2CCCC2=O)[C@@H](C)C1 ZINC000358239759 438188058 /nfs/dbraw/zinc/18/80/58/438188058.db2.gz YXZNZLJSLMNVSH-ULQDDVLXSA-N 1 3 341.496 0.696 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000358099271 438150798 /nfs/dbraw/zinc/15/07/98/438150798.db2.gz PVUXWVDOMXJNBJ-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000358099271 438150801 /nfs/dbraw/zinc/15/08/01/438150801.db2.gz PVUXWVDOMXJNBJ-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000358117605 438156874 /nfs/dbraw/zinc/15/68/74/438156874.db2.gz XKVUIECMFLWEHR-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358117605 438156880 /nfs/dbraw/zinc/15/68/80/438156880.db2.gz XKVUIECMFLWEHR-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000418564523 438160418 /nfs/dbraw/zinc/16/04/18/438160418.db2.gz JVXBNKLFIQHEIT-HNNXBMFYSA-N 1 3 349.479 0.806 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000358132912 438162940 /nfs/dbraw/zinc/16/29/40/438162940.db2.gz PFHCJOWEVSYJAO-UHFFFAOYSA-N 1 3 326.485 0.824 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000418689589 438174148 /nfs/dbraw/zinc/17/41/48/438174148.db2.gz VMWWTGBARYMLRE-BZUAXINKSA-N 1 3 326.485 0.898 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000418852896 438217781 /nfs/dbraw/zinc/21/77/81/438217781.db2.gz RQAOBGMPCPCEBR-KRWDZBQOSA-N 1 3 346.475 0.486 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418883107 438233887 /nfs/dbraw/zinc/23/38/87/438233887.db2.gz UPLKXVCQYMBAPP-CABCVRRESA-N 1 3 342.484 0.237 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418885233 438236636 /nfs/dbraw/zinc/23/66/36/438236636.db2.gz YGEZVVRQUSWCTK-CABCVRRESA-N 1 3 342.484 0.093 20 0 ECADHO C[C@H](CN(C)C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000358512971 438243347 /nfs/dbraw/zinc/24/33/47/438243347.db2.gz YNNDXXUNADCGBR-VPSFDDGASA-N 1 3 337.512 0.889 20 0 ECADHO C[C@H](CN(C)C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000358512971 438243349 /nfs/dbraw/zinc/24/33/49/438243349.db2.gz YNNDXXUNADCGBR-VPSFDDGASA-N 1 3 337.512 0.889 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418825541 438201975 /nfs/dbraw/zinc/20/19/75/438201975.db2.gz BVBZXHFIWUERQM-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000418827120 438203439 /nfs/dbraw/zinc/20/34/39/438203439.db2.gz BUPCBFYFZOZVES-HZPDHXFCSA-N 1 3 332.448 0.225 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)Cc1ccccc1 ZINC000418828614 438204487 /nfs/dbraw/zinc/20/44/87/438204487.db2.gz CXNRMZQJJQIJMO-OAHLLOKOSA-N 1 3 332.448 0.273 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H](C)CN(CC)CC)C1CC[NH2+]CC1 ZINC000418953098 438264785 /nfs/dbraw/zinc/26/47/85/438264785.db2.gz WCFHCFCXLREGTL-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418985418 438273763 /nfs/dbraw/zinc/27/37/63/438273763.db2.gz MWZSEGVPUBJRNG-CZUORRHYSA-N 1 3 332.448 0.479 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000418988787 438274829 /nfs/dbraw/zinc/27/48/29/438274829.db2.gz SLSYNPYUWMBHGF-MJBXVCDLSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000418988787 438274833 /nfs/dbraw/zinc/27/48/33/438274833.db2.gz SLSYNPYUWMBHGF-MJBXVCDLSA-N 1 3 340.468 0.064 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000418992510 438275873 /nfs/dbraw/zinc/27/58/73/438275873.db2.gz JSFONCAZOQERBF-CVEARBPZSA-N 1 3 330.432 0.185 20 0 ECADHO CN(C)[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000351553529 438287274 /nfs/dbraw/zinc/28/72/74/438287274.db2.gz FFJJDUVFBSDEEB-HOTGVXAUSA-N 1 3 332.448 0.144 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419018524 438288409 /nfs/dbraw/zinc/28/84/09/438288409.db2.gz CFNWFQFYFKFMET-UMVBOHGHSA-N 1 3 338.496 0.713 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000419020985 438290419 /nfs/dbraw/zinc/29/04/19/438290419.db2.gz ALRJNJJPEIELCY-AWEZNQCLSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000419021283 438291563 /nfs/dbraw/zinc/29/15/63/438291563.db2.gz GRVOQGOOOUQVDD-KSSFIOAISA-N 1 3 338.496 0.810 20 0 ECADHO CN1CC[C@@]2(CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)C2)C1 ZINC000368140299 438292235 /nfs/dbraw/zinc/29/22/35/438292235.db2.gz KCMTYGSJSQVRPT-GOSISDBHSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419028918 438294996 /nfs/dbraw/zinc/29/49/96/438294996.db2.gz QZOOCJKMQQLHRP-PMPSAXMXSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419124668 438334552 /nfs/dbraw/zinc/33/45/52/438334552.db2.gz RJUJLNAKQLEPNB-OAHLLOKOSA-N 1 3 338.496 0.873 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351767837 438336522 /nfs/dbraw/zinc/33/65/22/438336522.db2.gz HAVBKVQQMHKKRN-GJZGRUSLSA-N 1 3 342.484 0.060 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419132807 438339860 /nfs/dbraw/zinc/33/98/60/438339860.db2.gz FCERAFZNYURDFU-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419132807 438339862 /nfs/dbraw/zinc/33/98/62/438339862.db2.gz FCERAFZNYURDFU-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N(CC)CC ZINC000434708922 438318224 /nfs/dbraw/zinc/31/82/24/438318224.db2.gz WGZRXDUFTNROSR-GJZGRUSLSA-N 1 3 326.485 0.953 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000420129008 438388708 /nfs/dbraw/zinc/38/87/08/438388708.db2.gz UQWMYUDGJXUBEE-RBSFLKMASA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419166958 438348291 /nfs/dbraw/zinc/34/82/91/438348291.db2.gz OTTUKGFXLNPQMT-GOEBONIOSA-N 1 3 334.464 0.723 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419648838 438364562 /nfs/dbraw/zinc/36/45/62/438364562.db2.gz BHGHIHJWWQHABE-SQWLQELKSA-N 1 3 332.448 0.619 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419689171 438366100 /nfs/dbraw/zinc/36/61/00/438366100.db2.gz ACFCISISKUVUJX-RDTXWAMCSA-N 1 3 334.464 0.332 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1CN ZINC000419772478 438371674 /nfs/dbraw/zinc/37/16/74/438371674.db2.gz HXEITPNSTLSXBV-XJKSGUPXSA-N 1 3 336.480 0.563 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000378306572 438373076 /nfs/dbraw/zinc/37/30/76/438373076.db2.gz LGTQLDCENKUCHB-SFHVURJKSA-N 1 3 346.475 0.633 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000419950180 438378490 /nfs/dbraw/zinc/37/84/90/438378490.db2.gz HYKILAHSSUCTCJ-GJZGRUSLSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000419950180 438378494 /nfs/dbraw/zinc/37/84/94/438378494.db2.gz HYKILAHSSUCTCJ-GJZGRUSLSA-N 1 3 326.485 0.809 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)C2CCCC2)[C@H](C)C1 ZINC000420095160 438386051 /nfs/dbraw/zinc/38/60/51/438386051.db2.gz YMEORZKMLXXNRQ-KBMXLJTQSA-N 1 3 338.496 0.809 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)C2CCCC2)[C@H](C)C1 ZINC000420095160 438386055 /nfs/dbraw/zinc/38/60/55/438386055.db2.gz YMEORZKMLXXNRQ-KBMXLJTQSA-N 1 3 338.496 0.809 20 0 ECADHO [NH3+]C1(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCOCC1 ZINC000391040981 438437515 /nfs/dbraw/zinc/43/75/15/438437515.db2.gz RKIKNLWMVGXCKQ-KRWDZBQOSA-N 1 3 347.459 0.902 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420326029 438399246 /nfs/dbraw/zinc/39/92/46/438399246.db2.gz JAHVDZOCHWPSIH-XIRDDKMYSA-N 1 3 336.480 0.387 20 0 ECADHO COC(=O)CC1(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000420327283 438400665 /nfs/dbraw/zinc/40/06/65/438400665.db2.gz YKTQFYSDVMWTHV-CABCVRRESA-N 1 3 337.464 0.910 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000420975230 438456157 /nfs/dbraw/zinc/45/61/57/438456157.db2.gz OAZXNJYPLCHXOM-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422117366 438522433 /nfs/dbraw/zinc/52/24/33/438522433.db2.gz LRHHXKYXIZWEOY-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422117366 438522436 /nfs/dbraw/zinc/52/24/36/438522436.db2.gz LRHHXKYXIZWEOY-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000422457544 438573704 /nfs/dbraw/zinc/57/37/04/438573704.db2.gz SYVBCEMQWBLRPE-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000422457544 438573706 /nfs/dbraw/zinc/57/37/06/438573706.db2.gz SYVBCEMQWBLRPE-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442600184 438611727 /nfs/dbraw/zinc/61/17/27/438611727.db2.gz QLSPBEDREHUUNB-HOTGVXAUSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442600184 438611731 /nfs/dbraw/zinc/61/17/31/438611731.db2.gz QLSPBEDREHUUNB-HOTGVXAUSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)N1CCSCC1 ZINC000442644450 438614401 /nfs/dbraw/zinc/61/44/01/438614401.db2.gz HRRQGTAPJUCXSG-OAHLLOKOSA-N 1 3 342.553 0.908 20 0 ECADHO C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)N1CCSCC1 ZINC000442644450 438614405 /nfs/dbraw/zinc/61/44/05/438614405.db2.gz HRRQGTAPJUCXSG-OAHLLOKOSA-N 1 3 342.553 0.908 20 0 ECADHO C[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)N1CCSCC1 ZINC000442644450 438614408 /nfs/dbraw/zinc/61/44/08/438614408.db2.gz HRRQGTAPJUCXSG-OAHLLOKOSA-N 1 3 342.553 0.908 20 0 ECADHO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422908895 438615074 /nfs/dbraw/zinc/61/50/74/438615074.db2.gz DVFBZLXRFUZAPP-CRAIPNDOSA-N 1 3 348.491 0.835 20 0 ECADHO CC(C)[C@H](CN(C)C(=O)/C=C\CN(C)C)NC(=O)/C=C\C[NH+](C)C ZINC000493356397 438619674 /nfs/dbraw/zinc/61/96/74/438619674.db2.gz RGUSYYPVYKAJLN-HCNMJSCRSA-N 1 3 338.496 0.821 20 0 ECADHO CC(C)[C@H](CN(C)C(=O)/C=C\C[NH+](C)C)NC(=O)/C=C\CN(C)C ZINC000493356397 438619679 /nfs/dbraw/zinc/61/96/79/438619679.db2.gz RGUSYYPVYKAJLN-HCNMJSCRSA-N 1 3 338.496 0.821 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423060827 438633848 /nfs/dbraw/zinc/63/38/48/438633848.db2.gz JBYJHISARWGEPW-LSDHHAIUSA-N 1 3 336.411 0.099 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423152583 438643224 /nfs/dbraw/zinc/64/32/24/438643224.db2.gz LXFSKBPQADSAHJ-XHSDSOJGSA-N 1 3 336.480 0.659 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423149392 438643807 /nfs/dbraw/zinc/64/38/07/438643807.db2.gz HPEZVVJHBAAITH-JKSUJKDBSA-N 1 3 336.480 0.661 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423150533 438643827 /nfs/dbraw/zinc/64/38/27/438643827.db2.gz IVXFYBGHLQVHJG-PMPSAXMXSA-N 1 3 334.464 0.141 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000410731435 438647353 /nfs/dbraw/zinc/64/73/53/438647353.db2.gz GRBUXINILFGBEG-HRCADAONSA-N 1 3 338.496 0.870 20 0 ECADHO O=C(C(=O)N1CCCC[C@@H](N2CCCC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423228400 438650280 /nfs/dbraw/zinc/65/02/80/438650280.db2.gz ZLULHGJPJYLKOP-APWZRJJASA-N 1 3 348.491 0.675 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000410881860 438666004 /nfs/dbraw/zinc/66/60/04/438666004.db2.gz CUJKWYYVVYIJFN-GOSISDBHSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000410881860 438666007 /nfs/dbraw/zinc/66/60/07/438666007.db2.gz CUJKWYYVVYIJFN-GOSISDBHSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000423569328 438690329 /nfs/dbraw/zinc/69/03/29/438690329.db2.gz WIPVHRRSHMGLBC-OWCLPIDISA-N 1 3 338.496 0.903 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CCCC[NH3+])CC1=O ZINC000494666181 438702170 /nfs/dbraw/zinc/70/21/70/438702170.db2.gz KPDSWBMLAPILRD-BZUAXINKSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000574906175 438727152 /nfs/dbraw/zinc/72/71/52/438727152.db2.gz BRDGGPPYNZZKNB-SJORKVTESA-N 1 3 332.448 0.939 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000574981447 438731426 /nfs/dbraw/zinc/73/14/26/438731426.db2.gz KFTSFPJOYXDAFE-DGADGQDISA-N 1 3 334.464 0.267 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1CCCC1 ZINC000553690354 438755700 /nfs/dbraw/zinc/75/57/00/438755700.db2.gz JPJDCZVZRDCYHR-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1CCCC1 ZINC000553690354 438755701 /nfs/dbraw/zinc/75/57/01/438755701.db2.gz JPJDCZVZRDCYHR-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000554136847 438759933 /nfs/dbraw/zinc/75/99/33/438759933.db2.gz AYLJSQPQILUFLX-CAOSSQGBSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000576514791 438786745 /nfs/dbraw/zinc/78/67/45/438786745.db2.gz BBCAMYJVCBLZCD-FXAWDEMLSA-N 1 3 344.503 0.917 20 0 ECADHO C[C@H](NC(=O)c1ccccc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000558545476 438813841 /nfs/dbraw/zinc/81/38/41/438813841.db2.gz XYCVYOPMDPZVAH-HNNXBMFYSA-N 1 3 334.464 0.757 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC([NH2+]CCOC)CC2)C1(C)C ZINC000514794754 438831163 /nfs/dbraw/zinc/83/11/63/438831163.db2.gz DCBNEPDRMCGZPL-RHSMWYFYSA-N 1 3 327.469 0.746 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CNCc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000564951624 438895281 /nfs/dbraw/zinc/89/52/81/438895281.db2.gz POBNPNIZOVZFQU-YESZJQIVSA-N 1 3 325.416 0.560 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000565415958 438949377 /nfs/dbraw/zinc/94/93/77/438949377.db2.gz FSMWINDMBJRZOW-GOSISDBHSA-N 1 3 336.480 0.531 20 0 ECADHO CCNC(=O)CCN1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000565551361 438961633 /nfs/dbraw/zinc/96/16/33/438961633.db2.gz YXEVJMMPFOWLFQ-QGZVFWFLSA-N 1 3 338.496 0.779 20 0 ECADHO CCNC(=O)CCN1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000565551361 438961636 /nfs/dbraw/zinc/96/16/36/438961636.db2.gz YXEVJMMPFOWLFQ-QGZVFWFLSA-N 1 3 338.496 0.779 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(N)ccc1F ZINC000517534025 438968176 /nfs/dbraw/zinc/96/81/76/438968176.db2.gz JFXQJCIZHGGGSF-UHFFFAOYSA-N 1 3 339.415 0.298 20 0 ECADHO CCN1CCC[C@H](NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000517577482 438971139 /nfs/dbraw/zinc/97/11/39/438971139.db2.gz ZYLWIYCMYFCYIO-HOTGVXAUSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H](NC1CC1)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000578988439 438971703 /nfs/dbraw/zinc/97/17/03/438971703.db2.gz LOTJGUBZYQDQHL-JTQLQIEISA-N 1 3 326.422 0.003 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000565786695 438979457 /nfs/dbraw/zinc/97/94/57/438979457.db2.gz MEUIITBNFDBOHP-IKGGRYGDSA-N 1 3 332.448 0.531 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1=O ZINC000579112271 438981580 /nfs/dbraw/zinc/98/15/80/438981580.db2.gz AXIZQIONBAKQCK-WBVHZDCISA-N 1 3 344.459 0.481 20 0 ECADHO COC(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596693014 438989854 /nfs/dbraw/zinc/98/98/54/438989854.db2.gz PVGHPAJBYHREIR-LSDHHAIUSA-N 1 3 342.484 0.996 20 0 ECADHO COC(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596693014 438989861 /nfs/dbraw/zinc/98/98/61/438989861.db2.gz PVGHPAJBYHREIR-LSDHHAIUSA-N 1 3 342.484 0.996 20 0 ECADHO [NH3+]C1(CNC(=O)CCc2nnc[nH]2)CCN(Cc2ccccc2)CC1 ZINC000566008877 438994798 /nfs/dbraw/zinc/99/47/98/438994798.db2.gz ORBQECZYSSQHBN-UHFFFAOYSA-N 1 3 342.447 0.847 20 0 ECADHO [NH3+]C1(CNC(=O)CCc2nc[nH]n2)CCN(Cc2ccccc2)CC1 ZINC000566008877 438994803 /nfs/dbraw/zinc/99/48/03/438994803.db2.gz ORBQECZYSSQHBN-UHFFFAOYSA-N 1 3 342.447 0.847 20 0 ECADHO CCOC(=O)CC[N@H+](CC1CC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000591272178 438995275 /nfs/dbraw/zinc/99/52/75/438995275.db2.gz OTXZBRFMFBSJCR-HNNXBMFYSA-N 1 3 325.453 0.849 20 0 ECADHO CCOC(=O)CC[N@@H+](CC1CC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000591272178 438995279 /nfs/dbraw/zinc/99/52/79/438995279.db2.gz OTXZBRFMFBSJCR-HNNXBMFYSA-N 1 3 325.453 0.849 20 0 ECADHO CC(C)OC[C@@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000566109577 439007215 /nfs/dbraw/zinc/00/72/15/439007215.db2.gz ARHDBPCDXIFXLC-SFHVURJKSA-N 1 3 336.480 0.969 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)C2)CC1 ZINC000519642039 439049600 /nfs/dbraw/zinc/04/96/00/439049600.db2.gz ICHTUUUKXJNCAM-QZTJIDSGSA-N 1 3 330.476 0.795 20 0 ECADHO CN(C)CCN(Cc1ccccn1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000579949515 439051161 /nfs/dbraw/zinc/05/11/61/439051161.db2.gz ROECAVHESKYYCZ-UHFFFAOYSA-N 1 3 331.424 0.226 20 0 ECADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)C(=O)N1CCCNCC1 ZINC000580054360 439058569 /nfs/dbraw/zinc/05/85/69/439058569.db2.gz KHCMVHKYXKMLCS-UHFFFAOYSA-N 1 3 336.480 0.722 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)C1 ZINC000596881170 439011649 /nfs/dbraw/zinc/01/16/49/439011649.db2.gz JSJVCBOYLKKMOM-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)C1 ZINC000596881170 439011652 /nfs/dbraw/zinc/01/16/52/439011652.db2.gz JSJVCBOYLKKMOM-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C[C@H]1C[NH3+] ZINC000579580912 439020529 /nfs/dbraw/zinc/02/05/29/439020529.db2.gz BHYSSEFQXHYNBW-RKVPGOIHSA-N 1 3 336.480 0.374 20 0 ECADHO CN(CCCNC(=O)C(=O)NCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000579698051 439029255 /nfs/dbraw/zinc/02/92/55/439029255.db2.gz YIDYTSAHRBWURZ-UHFFFAOYSA-N 1 3 346.475 0.741 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCOC[C@@H]2CCCO2)C1)[C@H]1CCC[NH2+]1 ZINC000566244348 439031033 /nfs/dbraw/zinc/03/10/33/439031033.db2.gz TYFBHAPWIPLKKM-YESZJQIVSA-N 1 3 339.480 0.762 20 0 ECADHO CCNC(=O)[C@@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000579729259 439032799 /nfs/dbraw/zinc/03/27/99/439032799.db2.gz KAMNIWJLUAKHDN-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)CN1CCCC[C@@H]1C[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000580435220 439090684 /nfs/dbraw/zinc/09/06/84/439090684.db2.gz PZGZFXHLYRRAAW-QZTJIDSGSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000580435220 439090687 /nfs/dbraw/zinc/09/06/87/439090687.db2.gz PZGZFXHLYRRAAW-QZTJIDSGSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000580435220 439090692 /nfs/dbraw/zinc/09/06/92/439090692.db2.gz PZGZFXHLYRRAAW-QZTJIDSGSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000521010197 439102734 /nfs/dbraw/zinc/10/27/34/439102734.db2.gz QPLPLZOUDOTEDX-BZUAXINKSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CCC[NH2+]1 ZINC000567052151 439112257 /nfs/dbraw/zinc/11/22/57/439112257.db2.gz PDLLOYVLNGEIKC-SFHVURJKSA-N 1 3 331.464 0.852 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]1 ZINC000580632567 439113080 /nfs/dbraw/zinc/11/30/80/439113080.db2.gz OZFRRHBWTNUGEP-HUUCEWRRSA-N 1 3 337.468 0.077 20 0 ECADHO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000580677331 439116651 /nfs/dbraw/zinc/11/66/51/439116651.db2.gz CJMGSTABMOYOIH-KRWDZBQOSA-N 1 3 348.491 0.674 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000460078839 439075931 /nfs/dbraw/zinc/07/59/31/439075931.db2.gz IDCPAVGBQDSTNZ-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CCOC(=O)CC[C@@H](O)CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000566733456 439084803 /nfs/dbraw/zinc/08/48/03/439084803.db2.gz UFFGTTONALJPQI-GDBMZVCRSA-N 1 3 328.453 0.781 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C)C[C@H]1CN ZINC000567147089 439119081 /nfs/dbraw/zinc/11/90/81/439119081.db2.gz NDIKVGPHOWRRNK-HZPDHXFCSA-N 1 3 325.501 0.925 20 0 ECADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C)C[C@H]1CN ZINC000567147089 439119085 /nfs/dbraw/zinc/11/90/85/439119085.db2.gz NDIKVGPHOWRRNK-HZPDHXFCSA-N 1 3 325.501 0.925 20 0 ECADHO NCc1cn([C@H]2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000580774796 439129322 /nfs/dbraw/zinc/12/93/22/439129322.db2.gz USWDIZFBRJBXAP-BZSNNMDCSA-N 1 3 344.463 0.305 20 0 ECADHO C[C@H]1[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000567362016 439134964 /nfs/dbraw/zinc/13/49/64/439134964.db2.gz HPGQNHOFBMKFNF-WMZOPIPTSA-N 1 3 345.491 0.854 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000581001439 439157559 /nfs/dbraw/zinc/15/75/59/439157559.db2.gz IUCFMWADXTVNAM-UHFFFAOYSA-N 1 3 341.500 0.666 20 0 ECADHO Cc1cscc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000581037442 439161634 /nfs/dbraw/zinc/16/16/34/439161634.db2.gz JKBKIIYVLYOXEG-UHFFFAOYSA-N 1 3 340.493 0.625 20 0 ECADHO CC1CCC(O)(C[NH2+]CCCCN2CCN(CCO)CC2)CC1 ZINC000567688329 439165393 /nfs/dbraw/zinc/16/53/93/439165393.db2.gz NVWORBAETPLUCH-UHFFFAOYSA-N 1 3 327.513 0.907 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000581661304 439238163 /nfs/dbraw/zinc/23/81/63/439238163.db2.gz LVQZTNZVEBCCFE-LJQANCHMSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)CN1Cc1ccccc1 ZINC000568372825 439241172 /nfs/dbraw/zinc/24/11/72/439241172.db2.gz UIJWPNKQQREYIX-NXHRZFHOSA-N 1 3 345.491 0.852 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490052309 439252295 /nfs/dbraw/zinc/25/22/95/439252295.db2.gz FWKAOVZZJFAXRF-LBPRGKRZSA-N 1 3 345.513 0.538 20 0 ECADHO CCN1CCN(CCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592961225 439324014 /nfs/dbraw/zinc/32/40/14/439324014.db2.gz JKPUXFNEFDURIB-OAHLLOKOSA-N 1 3 348.495 0.477 20 0 ECADHO CN(C)CCn1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC000582071414 439286219 /nfs/dbraw/zinc/28/62/19/439286219.db2.gz QXXRVFCKRWJGTA-OAHLLOKOSA-N 1 3 337.468 0.411 20 0 ECADHO CN(C)CCn1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000582071414 439286222 /nfs/dbraw/zinc/28/62/22/439286222.db2.gz QXXRVFCKRWJGTA-OAHLLOKOSA-N 1 3 337.468 0.411 20 0 ECADHO CN1CCN(C[C@H](O)CNCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000582720298 439372532 /nfs/dbraw/zinc/37/25/32/439372532.db2.gz IKDYPURGOGPEDL-HXUWFJFHSA-N 1 3 346.519 0.980 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000529354771 439412524 /nfs/dbraw/zinc/41/25/24/439412524.db2.gz BNKVHJHMASMNED-JKSUJKDBSA-N 1 3 335.496 0.692 20 0 ECADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000571168749 439479712 /nfs/dbraw/zinc/47/97/12/439479712.db2.gz DKEGOELGGMETKH-IYBDPMFKSA-N 1 3 335.448 0.997 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000608008238 439482652 /nfs/dbraw/zinc/48/26/52/439482652.db2.gz TZQDHDLTAUMJPT-HNNXBMFYSA-N 1 3 345.447 0.140 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC[C@@H]21 ZINC000583798398 439512371 /nfs/dbraw/zinc/51/23/71/439512371.db2.gz SHAIPHRKCSELHA-IKGGRYGDSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC[C@@H]21 ZINC000583798398 439512373 /nfs/dbraw/zinc/51/23/73/439512373.db2.gz SHAIPHRKCSELHA-IKGGRYGDSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000584663638 439606855 /nfs/dbraw/zinc/60/68/55/439606855.db2.gz ICRWWJCDUXBHSG-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000584663638 439606858 /nfs/dbraw/zinc/60/68/58/439606858.db2.gz ICRWWJCDUXBHSG-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC(C)(C)C1 ZINC000572819182 439609949 /nfs/dbraw/zinc/60/99/49/439609949.db2.gz ZPSVEPZHDFZXGY-OAHLLOKOSA-N 1 3 340.512 0.833 20 0 ECADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000573319956 439639805 /nfs/dbraw/zinc/63/98/05/439639805.db2.gz DMHHXCNMTSVEHN-CZUORRHYSA-N 1 3 332.448 0.592 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H](CO)C3CC3)CC2)CC1 ZINC000573616980 439656980 /nfs/dbraw/zinc/65/69/80/439656980.db2.gz JGAUYVSAWZJGRY-OAHLLOKOSA-N 1 3 338.496 0.863 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000574521585 439709421 /nfs/dbraw/zinc/70/94/21/439709421.db2.gz FDDNEZXWEULAFK-DLBZAZTESA-N 1 3 333.432 0.959 20 0 ECADHO C[C@@H](CNC(=O)COC1CCC([NH3+])CC1)CN1CCN(C)CC1 ZINC000574688346 439719801 /nfs/dbraw/zinc/71/98/01/439719801.db2.gz LYDAGKWZRJPHEK-FHERZECASA-N 1 3 326.485 0.273 20 0 ECADHO CN(C)C1(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000573941772 439675188 /nfs/dbraw/zinc/67/51/88/439675188.db2.gz UCKOCPQOWVZASX-KRWDZBQOSA-N 1 3 345.491 0.370 20 0 ECADHO COC(=O)CCCCN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000600711045 439693956 /nfs/dbraw/zinc/69/39/56/439693956.db2.gz QNFANRREJXUOBX-CABCVRRESA-N 1 3 338.452 0.550 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612974186 439747582 /nfs/dbraw/zinc/74/75/82/439747582.db2.gz OZNORFQABQEDJH-HZPDHXFCSA-N 1 3 337.512 0.701 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC000613985829 439767203 /nfs/dbraw/zinc/76/72/03/439767203.db2.gz KTUKWQFQDGGRFP-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC000613985829 439767204 /nfs/dbraw/zinc/76/72/04/439767204.db2.gz KTUKWQFQDGGRFP-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000612547042 439727298 /nfs/dbraw/zinc/72/72/98/439727298.db2.gz YMDKEDVLXAJYGQ-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000612547042 439727301 /nfs/dbraw/zinc/72/73/01/439727301.db2.gz YMDKEDVLXAJYGQ-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO COCCCN(C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662743566 439866530 /nfs/dbraw/zinc/86/65/30/439866530.db2.gz PHLPMYBPAGTRHY-CQSZACIVSA-N 1 3 338.456 0.291 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000662743899 439868442 /nfs/dbraw/zinc/86/84/42/439868442.db2.gz WZUFIUIWEGBGLG-QGZVFWFLSA-N 1 3 346.475 0.663 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2cccn2C2CC[NH2+]CC2)n1 ZINC000662749237 439869615 /nfs/dbraw/zinc/86/96/15/439869615.db2.gz ATWPECFEBLFNCS-UHFFFAOYSA-N 1 3 330.392 0.297 20 0 ECADHO COCCN(C)CCCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662685584 439845576 /nfs/dbraw/zinc/84/55/76/439845576.db2.gz VHOGTYAZIAZAPK-AWEZNQCLSA-N 1 3 338.456 0.291 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662706858 439852764 /nfs/dbraw/zinc/85/27/64/439852764.db2.gz XGOJIVWFBKFQEM-HNNXBMFYSA-N 1 3 344.459 0.650 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662706858 439852770 /nfs/dbraw/zinc/85/27/70/439852770.db2.gz XGOJIVWFBKFQEM-HNNXBMFYSA-N 1 3 344.459 0.650 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NCCC3=CC[NH2+]CC3)CC2)C1 ZINC000641577143 439852954 /nfs/dbraw/zinc/85/29/54/439852954.db2.gz SBMINCWTIDORIQ-QGZVFWFLSA-N 1 3 335.496 0.718 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662710693 439854975 /nfs/dbraw/zinc/85/49/75/439854975.db2.gz JDUSBLJJLXCUKS-AWEZNQCLSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[C@@H]1CCN(C2CC2)C1 ZINC000662720189 439856607 /nfs/dbraw/zinc/85/66/07/439856607.db2.gz VCZZSOPJPXAVTH-LSDHHAIUSA-N 1 3 332.452 0.901 20 0 ECADHO CC[N@H+](CCCNC(=O)C(=O)N(C)[C@@H](C)CN)C1CCCCC1 ZINC000652707523 439934027 /nfs/dbraw/zinc/93/40/27/439934027.db2.gz AEOHMUMXCXEPIX-AWEZNQCLSA-N 1 3 326.485 0.953 20 0 ECADHO CC[N@@H+](CCCNC(=O)C(=O)N(C)[C@@H](C)CN)C1CCCCC1 ZINC000652707523 439934033 /nfs/dbraw/zinc/93/40/33/439934033.db2.gz AEOHMUMXCXEPIX-AWEZNQCLSA-N 1 3 326.485 0.953 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)NCCN1CC[C@H](O)C1)Cc1ccccc1 ZINC000636472092 439895222 /nfs/dbraw/zinc/89/52/22/439895222.db2.gz VGFXJAKRCARKIQ-IRXDYDNUSA-N 1 3 334.464 0.525 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC1(C[NH3+])CCOCC1 ZINC000626883976 439934824 /nfs/dbraw/zinc/93/48/24/439934824.db2.gz MZQRECHMZKODEU-UHFFFAOYSA-N 1 3 348.447 0.619 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(C2CC2)nc1N ZINC000617502133 439899272 /nfs/dbraw/zinc/89/92/72/439899272.db2.gz DHLDERIFVQDFDM-LBPRGKRZSA-N 1 3 334.468 0.938 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(C2CC2)nc1N ZINC000617502133 439899278 /nfs/dbraw/zinc/89/92/78/439899278.db2.gz DHLDERIFVQDFDM-LBPRGKRZSA-N 1 3 334.468 0.938 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](c1cncn1C)N(C)C ZINC000617507418 439901700 /nfs/dbraw/zinc/90/17/00/439901700.db2.gz VZRVNBXIPICSQJ-GOEBONIOSA-N 1 3 338.500 0.411 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](c1cncn1C)N(C)C ZINC000617507418 439901705 /nfs/dbraw/zinc/90/17/05/439901705.db2.gz VZRVNBXIPICSQJ-GOEBONIOSA-N 1 3 338.500 0.411 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662837673 439908789 /nfs/dbraw/zinc/90/87/89/439908789.db2.gz JLUSQYHQZAHTLX-GOEBONIOSA-N 1 3 332.452 0.949 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858384 439916361 /nfs/dbraw/zinc/91/63/61/439916361.db2.gz GULPNKMHFXNMAJ-BBWFWOEESA-N 1 3 333.432 0.233 20 0 ECADHO CC1(OCC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CNC1 ZINC000662860683 439916780 /nfs/dbraw/zinc/91/67/80/439916780.db2.gz UCDUOIMUDCVURT-MRXNPFEDSA-N 1 3 333.432 0.248 20 0 ECADHO CC1(OCC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CNC1 ZINC000662860683 439916787 /nfs/dbraw/zinc/91/67/87/439916787.db2.gz UCDUOIMUDCVURT-MRXNPFEDSA-N 1 3 333.432 0.248 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626936249 439965461 /nfs/dbraw/zinc/96/54/61/439965461.db2.gz FSCPUFFKMCORCX-HZPDHXFCSA-N 1 3 325.501 0.844 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626936250 439966084 /nfs/dbraw/zinc/96/60/84/439966084.db2.gz FSCPUFFKMCORCX-JKSUJKDBSA-N 1 3 325.501 0.844 20 0 ECADHO CCCCN1CCC(NS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631915359 439976007 /nfs/dbraw/zinc/97/60/07/439976007.db2.gz JSBNUUZPZRMQGV-UHFFFAOYSA-N 1 3 332.514 0.769 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000631914473 439976491 /nfs/dbraw/zinc/97/64/91/439976491.db2.gz WXLCZBXXKVQQDL-UHFFFAOYSA-N 1 3 330.498 0.379 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626888160 439939453 /nfs/dbraw/zinc/93/94/53/439939453.db2.gz QPXCZSBOMABJFX-TZMCWYRMSA-N 1 3 348.447 0.952 20 0 ECADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725849 439946450 /nfs/dbraw/zinc/94/64/50/439946450.db2.gz VPEPOEDLJQLKEZ-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000652732487 439951448 /nfs/dbraw/zinc/95/14/48/439951448.db2.gz LZUZLHIMAYCQTK-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000631924297 439986312 /nfs/dbraw/zinc/98/63/12/439986312.db2.gz RGBHJQBWAAAXBD-OAHLLOKOSA-N 1 3 344.525 0.723 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626930885 439963067 /nfs/dbraw/zinc/96/30/67/439963067.db2.gz KOSZXURBKADNDN-HDICACEKSA-N 1 3 337.512 0.653 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662946721 439963522 /nfs/dbraw/zinc/96/35/22/439963522.db2.gz YIHPGTDGJTWGFC-UHFFFAOYSA-N 1 3 326.466 0.446 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000642780524 440032398 /nfs/dbraw/zinc/03/23/98/440032398.db2.gz WMTNDBZGWMXNOR-INIZCTEOSA-N 1 3 332.448 0.623 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000642785847 440037533 /nfs/dbraw/zinc/03/75/33/440037533.db2.gz MVBMTMQVXJRRLX-MRXNPFEDSA-N 1 3 336.480 0.435 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000642914479 440063062 /nfs/dbraw/zinc/06/30/62/440063062.db2.gz RCQRLWKOGINXTH-SJORKVTESA-N 1 3 344.459 0.588 20 0 ECADHO CN1CCN(Cc2ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653125119 440078740 /nfs/dbraw/zinc/07/87/40/440078740.db2.gz SXBWXZHFPMFUJI-QGZVFWFLSA-N 1 3 333.480 0.652 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@H]3CNCCC3(F)F)C2)C1 ZINC000653183866 440089773 /nfs/dbraw/zinc/08/97/73/440089773.db2.gz KPIFNTGCOHVDNW-DGAVXFQQSA-N 1 3 331.407 0.976 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642895201 440053686 /nfs/dbraw/zinc/05/36/86/440053686.db2.gz FGEGODQCWSSJGB-QGZVFWFLSA-N 1 3 346.475 0.835 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663312338 440054668 /nfs/dbraw/zinc/05/46/68/440054668.db2.gz VRMULBMPNFYJLT-CQSZACIVSA-N 1 3 329.470 0.092 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000627335312 440129973 /nfs/dbraw/zinc/12/99/73/440129973.db2.gz RMUKYRUXLOXYRX-AWEZNQCLSA-N 1 3 347.463 0.530 20 0 ECADHO O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000658731798 440092093 /nfs/dbraw/zinc/09/20/93/440092093.db2.gz HKNYRVBVZGJZQM-IRXDYDNUSA-N 1 3 348.491 0.770 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[NH2+]1 ZINC000627292184 440101741 /nfs/dbraw/zinc/10/17/41/440101741.db2.gz NZCIUHJRZGJGJY-HYVNUMGLSA-N 1 3 346.475 0.532 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000627303837 440108725 /nfs/dbraw/zinc/10/87/25/440108725.db2.gz DTTCLVXAJPUQFL-HYVNUMGLSA-N 1 3 346.475 0.880 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653426052 440166353 /nfs/dbraw/zinc/16/63/53/440166353.db2.gz ITALFEOADYMGOG-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478785 440180534 /nfs/dbraw/zinc/18/05/34/440180534.db2.gz GFQCXSQASRLKRF-GJZGRUSLSA-N 1 3 345.447 0.316 20 0 ECADHO C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCO1 ZINC000647905701 440187272 /nfs/dbraw/zinc/18/72/72/440187272.db2.gz ZUOHJJBYTRWNHX-IXDOHACOSA-N 1 3 338.496 0.287 20 0 ECADHO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498792 440189685 /nfs/dbraw/zinc/18/96/85/440189685.db2.gz WYTSRRYGXXMBTA-ARFHVFGLSA-N 1 3 334.464 0.141 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000643518542 440195194 /nfs/dbraw/zinc/19/51/94/440195194.db2.gz VSBKKPOTQAGWFU-UYJHQMFVSA-N 1 3 334.464 0.267 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643518713 440197767 /nfs/dbraw/zinc/19/77/67/440197767.db2.gz PKYCXSNMPYTSKZ-JJXSEGSLSA-N 1 3 334.464 0.282 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000653396953 440154225 /nfs/dbraw/zinc/15/42/25/440154225.db2.gz JMBXHEDNHFKWDG-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000653396953 440154228 /nfs/dbraw/zinc/15/42/28/440154228.db2.gz JMBXHEDNHFKWDG-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C[NH+]1CCCC1 ZINC000663736296 440162844 /nfs/dbraw/zinc/16/28/44/440162844.db2.gz KONKFZMZFUFTIR-HNNXBMFYSA-N 1 3 341.500 0.380 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643591823 440215138 /nfs/dbraw/zinc/21/51/38/440215138.db2.gz ODBLOKCDXMACGW-HOCLYGCPSA-N 1 3 345.447 0.459 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000627457547 440215734 /nfs/dbraw/zinc/21/57/34/440215734.db2.gz ZYKHATWIZQXRFF-HRCADAONSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643594602 440219426 /nfs/dbraw/zinc/21/94/26/440219426.db2.gz XAPLTSOWSMBXIO-OAGGEKHMSA-N 1 3 336.480 0.387 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000643531901 440203148 /nfs/dbraw/zinc/20/31/48/440203148.db2.gz USBHTXJYPDHQEC-IRXDYDNUSA-N 1 3 344.459 0.527 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000627440092 440206388 /nfs/dbraw/zinc/20/63/88/440206388.db2.gz BPWUARHWEOYEKG-HUUCEWRRSA-N 1 3 334.464 0.474 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000627440588 440206985 /nfs/dbraw/zinc/20/69/85/440206985.db2.gz OJQBUFTWWREEBA-CVEARBPZSA-N 1 3 348.491 0.864 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000627442829 440208318 /nfs/dbraw/zinc/20/83/18/440208318.db2.gz SWTOHGIFJJCJOB-INIZCTEOSA-N 1 3 348.491 0.864 20 0 ECADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC3CC2(CN)C3)cc1 ZINC000659100579 440247186 /nfs/dbraw/zinc/24/71/86/440247186.db2.gz WZSYAJZINXIXEG-UHFFFAOYSA-N 1 3 330.432 0.679 20 0 ECADHO C[NH+](C)[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCCC1 ZINC000654373562 440301603 /nfs/dbraw/zinc/30/16/03/440301603.db2.gz DOUARYSDMJYTKD-BBWFWOEESA-N 1 3 338.496 0.957 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N(C)[C@@H]3CC[NH2+]C3)ccc2[nH]c1=O ZINC000637838356 440346342 /nfs/dbraw/zinc/34/63/42/440346342.db2.gz VNUPUMQJCWMFOG-CYBMUJFWSA-N 1 3 331.420 0.737 20 0 ECADHO C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1=CCN(C)CC1 ZINC000664630533 440347349 /nfs/dbraw/zinc/34/73/49/440347349.db2.gz SLICLXFPFJQYMR-WMLDXEAASA-N 1 3 336.480 0.877 20 0 ECADHO C[C@H](NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1=CCN(C)CC1 ZINC000664630533 440347355 /nfs/dbraw/zinc/34/73/55/440347355.db2.gz SLICLXFPFJQYMR-WMLDXEAASA-N 1 3 336.480 0.877 20 0 ECADHO CCO[C@@H]1COCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664659996 440351979 /nfs/dbraw/zinc/35/19/79/440351979.db2.gz XZRCFKDWEXZSTP-HRCADAONSA-N 1 3 344.500 0.752 20 0 ECADHO CCO[C@@H]1COCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664659996 440351982 /nfs/dbraw/zinc/35/19/82/440351982.db2.gz XZRCFKDWEXZSTP-HRCADAONSA-N 1 3 344.500 0.752 20 0 ECADHO [NH3+]C1(CNC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CCC1 ZINC000659530801 440356715 /nfs/dbraw/zinc/35/67/15/440356715.db2.gz UKCBFPXVMQXLIW-MRXNPFEDSA-N 1 3 332.448 0.934 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000659542623 440359708 /nfs/dbraw/zinc/35/97/08/440359708.db2.gz BMKLLJXCZDEYHD-SHTZXODSSA-N 1 3 341.500 0.413 20 0 ECADHO C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C[NH+]1CCCCC1 ZINC000659439031 440326079 /nfs/dbraw/zinc/32/60/79/440326079.db2.gz APPPDWIENVLISO-GFCCVEGCSA-N 1 3 336.440 0.562 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664784160 440373102 /nfs/dbraw/zinc/37/31/02/440373102.db2.gz IDEXXCSCQDFQJS-CQSZACIVSA-N 1 3 329.489 0.378 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)n1 ZINC000654899624 440428898 /nfs/dbraw/zinc/42/88/98/440428898.db2.gz VCNGNVJNGVTDEK-HNNXBMFYSA-N 1 3 335.452 0.428 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659688785 440423962 /nfs/dbraw/zinc/42/39/62/440423962.db2.gz KLYGHNVENBSYOF-AWEZNQCLSA-N 1 3 326.485 0.953 20 0 ECADHO O=C(CNC(=O)NCC12CC(C1)C[NH2+]2)NCCN1CCCCCC1 ZINC000659613483 440376329 /nfs/dbraw/zinc/37/63/29/440376329.db2.gz HXSGGLNTLCJMBQ-UHFFFAOYSA-N 1 3 337.468 0.030 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000649069613 440379994 /nfs/dbraw/zinc/37/99/94/440379994.db2.gz WFHWGXXOEVLFTE-AWEZNQCLSA-N 1 3 336.480 0.829 20 0 ECADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630471 440381900 /nfs/dbraw/zinc/38/19/00/440381900.db2.gz JEFQOVDWFLYWHJ-YPMHNXCESA-N 1 3 334.424 0.267 20 0 ECADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630471 440381906 /nfs/dbraw/zinc/38/19/06/440381906.db2.gz JEFQOVDWFLYWHJ-YPMHNXCESA-N 1 3 334.424 0.267 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632581 440386395 /nfs/dbraw/zinc/38/63/95/440386395.db2.gz BYJMMPAYCSLOJJ-UHFFFAOYSA-N 1 3 336.440 0.657 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000659680757 440414412 /nfs/dbraw/zinc/41/44/12/440414412.db2.gz KHNTXCMOGAEDNG-QKPAOTATSA-N 1 3 340.512 0.959 20 0 ECADHO C[C@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000638141749 440462761 /nfs/dbraw/zinc/46/27/61/440462761.db2.gz WBOSLHQCLGDKKC-AEFFLSMTSA-N 1 3 347.507 0.198 20 0 ECADHO C[C@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000638141749 440462768 /nfs/dbraw/zinc/46/27/68/440462768.db2.gz WBOSLHQCLGDKKC-AEFFLSMTSA-N 1 3 347.507 0.198 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000659743169 440480162 /nfs/dbraw/zinc/48/01/62/440480162.db2.gz XWIDJSWORJIQSD-ARFHVFGLSA-N 1 3 336.480 0.433 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659727483 440465396 /nfs/dbraw/zinc/46/53/96/440465396.db2.gz GMCADXYRWWJQDM-UHFFFAOYSA-N 1 3 347.463 0.217 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000638167031 440470853 /nfs/dbraw/zinc/47/08/53/440470853.db2.gz YHBBBSWMIWUBBM-HRCADAONSA-N 1 3 327.469 0.557 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659736221 440473611 /nfs/dbraw/zinc/47/36/11/440473611.db2.gz LTMMJIHXXKQRDF-GOEBONIOSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)ccc2[nH]c1=O ZINC000638213989 440479035 /nfs/dbraw/zinc/47/90/35/440479035.db2.gz MVMYPGZJIQTKBJ-OKILXGFUSA-N 1 3 343.431 0.595 20 0 ECADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000638121513 440448338 /nfs/dbraw/zinc/44/83/38/440448338.db2.gz JJPQFCAPTCLHSS-SJLPKXTDSA-N 1 3 331.460 0.969 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000638128963 440453867 /nfs/dbraw/zinc/45/38/67/440453867.db2.gz QAYBWBYQBFZJPC-SFHVURJKSA-N 1 3 348.491 0.707 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CN(C)C(=O)[C@@H]3C)CC2)CC1 ZINC000655161208 440493238 /nfs/dbraw/zinc/49/32/38/440493238.db2.gz UPWPOCCQLSDMFD-AWEZNQCLSA-N 1 3 336.480 0.829 20 0 ECADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638313812 440508524 /nfs/dbraw/zinc/50/85/24/440508524.db2.gz DMTKSWRMEKTBPO-SFHVURJKSA-N 1 3 346.475 0.854 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)c1cnn(C)c1 ZINC000665760376 440523868 /nfs/dbraw/zinc/52/38/68/440523868.db2.gz HOYJZAIMOXXSMW-DZGCQCFKSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)c1cnn(C)c1 ZINC000665760376 440523872 /nfs/dbraw/zinc/52/38/72/440523872.db2.gz HOYJZAIMOXXSMW-DZGCQCFKSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC1=CCN(C)CC1 ZINC000665760656 440526180 /nfs/dbraw/zinc/52/61/80/440526180.db2.gz MHZLYNCYGLLNNY-HNNXBMFYSA-N 1 3 325.501 0.820 20 0 ECADHO CCO[C@@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638392041 440527742 /nfs/dbraw/zinc/52/77/42/440527742.db2.gz WMASPDLCBHEPSK-BRWVUGGUSA-N 1 3 334.464 0.268 20 0 ECADHO CCc1nnc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000665764015 440531088 /nfs/dbraw/zinc/53/10/88/440531088.db2.gz RLCNHEOUZRMSCZ-LBPRGKRZSA-N 1 3 326.445 0.703 20 0 ECADHO CCc1nnc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000665764015 440531090 /nfs/dbraw/zinc/53/10/90/440531090.db2.gz RLCNHEOUZRMSCZ-LBPRGKRZSA-N 1 3 326.445 0.703 20 0 ECADHO CN(C)CCn1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cn1 ZINC000638232383 440483656 /nfs/dbraw/zinc/48/36/56/440483656.db2.gz BDMVCEQSLSHALZ-NSHDSACASA-N 1 3 334.449 0.970 20 0 ECADHO COC[C@@]1(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)CC[NH2+]C1 ZINC000638526522 440560673 /nfs/dbraw/zinc/56/06/73/440560673.db2.gz LUIKQCKZBVSWLV-GOSISDBHSA-N 1 3 348.447 0.543 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)COC2CC[NH2+]CC2)cc1 ZINC000638526767 440561312 /nfs/dbraw/zinc/56/13/12/440561312.db2.gz PMPSFLUHSURBKT-UHFFFAOYSA-N 1 3 348.447 0.685 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000638527613 440562259 /nfs/dbraw/zinc/56/22/59/440562259.db2.gz WCROOSQBLJCOPC-OAHLLOKOSA-N 1 3 335.452 0.196 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655447639 440563412 /nfs/dbraw/zinc/56/34/12/440563412.db2.gz BKDOWZIHVTYAAG-MAUKXSAKSA-N 1 3 336.480 0.435 20 0 ECADHO CN1CCN(CC2CCN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)CC2)CC1 ZINC000655468294 440567162 /nfs/dbraw/zinc/56/71/62/440567162.db2.gz ZHLXYDLHJFOKHB-MJGOQNOKSA-N 1 3 334.508 0.862 20 0 ECADHO NS(=O)(=O)c1ccc(CNCCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000638618217 440583502 /nfs/dbraw/zinc/58/35/02/440583502.db2.gz FLZMTJCLHZSOOX-LBPRGKRZSA-N 1 3 347.506 0.722 20 0 ECADHO NS(=O)(=O)c1ccc(CNCCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000638618217 440583505 /nfs/dbraw/zinc/58/35/05/440583505.db2.gz FLZMTJCLHZSOOX-LBPRGKRZSA-N 1 3 347.506 0.722 20 0 ECADHO C[C@H](CNC(=O)c1cccc(C(=O)NC[C@@H](C)[NH+](C)C)c1N)N(C)C ZINC000666244078 440604603 /nfs/dbraw/zinc/60/46/03/440604603.db2.gz PCVXBLMHEOWFOM-CHWSQXEVSA-N 1 3 349.479 0.629 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000638698669 440605925 /nfs/dbraw/zinc/60/59/25/440605925.db2.gz LWJBLKOMGFLBSV-CVEARBPZSA-N 1 3 325.501 0.925 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000638725608 440607170 /nfs/dbraw/zinc/60/71/70/440607170.db2.gz CFPOTMBIUSGOFK-GJZGRUSLSA-N 1 3 325.453 0.454 20 0 ECADHO CN(C)CCOc1ccc(C[NH2+]CCCN2CCNC(=O)C2)cc1 ZINC000655795057 440623590 /nfs/dbraw/zinc/62/35/90/440623590.db2.gz WEAMTAQMCAKSST-UHFFFAOYSA-N 1 3 334.464 0.539 20 0 ECADHO COC[C@@]1(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638786177 440624542 /nfs/dbraw/zinc/62/45/42/440624542.db2.gz KMWVJZWAZYLHJF-SJLPKXTDSA-N 1 3 339.480 0.762 20 0 ECADHO NCc1ccc2c(c1)N(C(=O)c1cn(C[C@H]3CCC[NH2+]3)nn1)CCO2 ZINC000638805575 440627853 /nfs/dbraw/zinc/62/78/53/440627853.db2.gz KXUDZPGGBQFLNR-CYBMUJFWSA-N 1 3 342.403 0.528 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2C1 ZINC000650399994 440633818 /nfs/dbraw/zinc/63/38/18/440633818.db2.gz IXLSGRBUYMUITN-CKUJCDMFSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2C1 ZINC000650399994 440633823 /nfs/dbraw/zinc/63/38/23/440633823.db2.gz IXLSGRBUYMUITN-CKUJCDMFSA-N 1 3 334.464 0.092 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc3c2CCNC3)C1 ZINC000655954631 440658066 /nfs/dbraw/zinc/65/80/66/440658066.db2.gz CGYXDOGHRBZABK-XBXGTLAGSA-N 1 3 330.432 0.727 20 0 ECADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660586518 440683982 /nfs/dbraw/zinc/68/39/82/440683982.db2.gz YOONEBKZBVLHBO-OAHLLOKOSA-N 1 3 328.457 0.117 20 0 ECADHO CCCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660585596 440685162 /nfs/dbraw/zinc/68/51/62/440685162.db2.gz RVPSNBBZDWLSSV-GJZGRUSLSA-N 1 3 339.484 0.357 20 0 ECADHO CCCN1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660585596 440685167 /nfs/dbraw/zinc/68/51/67/440685167.db2.gz RVPSNBBZDWLSSV-GJZGRUSLSA-N 1 3 339.484 0.357 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916913 440640116 /nfs/dbraw/zinc/64/01/16/440640116.db2.gz KRDCQODZNJKXOS-NEPJUHHUSA-N 1 3 339.406 0.449 20 0 ECADHO NC[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C(F)(F)F ZINC000655920057 440643037 /nfs/dbraw/zinc/64/30/37/440643037.db2.gz RVDXVKLBKGAWMY-ZYHUDNBSSA-N 1 3 338.374 0.676 20 0 ECADHO COc1cnccc1N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655928563 440645250 /nfs/dbraw/zinc/64/52/50/440645250.db2.gz OSYLDHFNRSFQHD-GFCCVEGCSA-N 1 3 347.341 0.811 20 0 ECADHO Cc1cc(NC(=O)CC[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)no1 ZINC000644562029 440646295 /nfs/dbraw/zinc/64/62/95/440646295.db2.gz OTFRPLAPKOCBEH-CQSZACIVSA-N 1 3 335.452 1.070 20 0 ECADHO Cn1nccc1CC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000634688592 440690094 /nfs/dbraw/zinc/69/00/94/440690094.db2.gz XDXPWILHLUDTQN-HNNXBMFYSA-N 1 3 343.479 0.975 20 0 ECADHO Cn1nccc1CC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000634688592 440690100 /nfs/dbraw/zinc/69/01/00/440690100.db2.gz XDXPWILHLUDTQN-HNNXBMFYSA-N 1 3 343.479 0.975 20 0 ECADHO CN1CCN(C)[C@H](C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634704142 440692263 /nfs/dbraw/zinc/69/22/63/440692263.db2.gz GRTBSJLIKFUHPC-RTBURBONSA-N 1 3 332.492 0.459 20 0 ECADHO CN1CCN(C)[C@H](CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634704142 440692267 /nfs/dbraw/zinc/69/22/67/440692267.db2.gz GRTBSJLIKFUHPC-RTBURBONSA-N 1 3 332.492 0.459 20 0 ECADHO CN1CCN(C)[C@H](CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634704142 440692272 /nfs/dbraw/zinc/69/22/72/440692272.db2.gz GRTBSJLIKFUHPC-RTBURBONSA-N 1 3 332.492 0.459 20 0 ECADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656024959 440694358 /nfs/dbraw/zinc/69/43/58/440694358.db2.gz ZHXFMTXWBWZHJY-HZPDHXFCSA-N 1 3 336.480 0.625 20 0 ECADHO COC[C@]1(CO)CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639665757 440756872 /nfs/dbraw/zinc/75/68/72/440756872.db2.gz IKNCEUHATZSVFM-RTBURBONSA-N 1 3 334.460 0.954 20 0 ECADHO COC[C@]1(CO)CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639665757 440756878 /nfs/dbraw/zinc/75/68/78/440756878.db2.gz IKNCEUHATZSVFM-RTBURBONSA-N 1 3 334.460 0.954 20 0 ECADHO CS(=O)(=O)N1CCC([NH2+]CC[C@H](N)Cc2ccccc2)CC1 ZINC000635006888 440730286 /nfs/dbraw/zinc/73/02/86/440730286.db2.gz NCDZXHWRMJMJEJ-HNNXBMFYSA-N 1 3 325.478 0.960 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639549951 440739414 /nfs/dbraw/zinc/73/94/14/440739414.db2.gz JMJOKZMYOXWXCG-ROUUACIJSA-N 1 3 327.513 0.856 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639549951 440739421 /nfs/dbraw/zinc/73/94/21/440739421.db2.gz JMJOKZMYOXWXCG-ROUUACIJSA-N 1 3 327.513 0.856 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651097324 440746009 /nfs/dbraw/zinc/74/60/09/440746009.db2.gz HKEDOBAGWTZFDJ-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651097324 440746015 /nfs/dbraw/zinc/74/60/15/440746015.db2.gz HKEDOBAGWTZFDJ-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656290245 440754099 /nfs/dbraw/zinc/75/40/99/440754099.db2.gz TWXUYOZEURIDBS-SJORKVTESA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656310753 440761833 /nfs/dbraw/zinc/76/18/33/440761833.db2.gz FBCDQUIRHOQYNR-ZACQAIPSSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656310753 440761839 /nfs/dbraw/zinc/76/18/39/440761839.db2.gz FBCDQUIRHOQYNR-ZACQAIPSSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000645267200 440773578 /nfs/dbraw/zinc/77/35/78/440773578.db2.gz IJCBUCOGABRNIP-MGPQQGTHSA-N 1 3 325.457 0.231 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000645267200 440773581 /nfs/dbraw/zinc/77/35/81/440773581.db2.gz IJCBUCOGABRNIP-MGPQQGTHSA-N 1 3 325.457 0.231 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645360785 440789314 /nfs/dbraw/zinc/78/93/14/440789314.db2.gz DXZMYYIKMBPSFG-GDBMZVCRSA-N 1 3 336.480 0.975 20 0 ECADHO C[C@H](CNC(=O)Cc1[nH]ccc1C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000635254782 440797189 /nfs/dbraw/zinc/79/71/89/440797189.db2.gz HOIHKDZPTXCAAL-OLZOCXBDSA-N 1 3 337.468 0.303 20 0 ECADHO C[C@H](CNC(=O)Cc1[nH]ccc1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000635254782 440797194 /nfs/dbraw/zinc/79/71/94/440797194.db2.gz HOIHKDZPTXCAAL-OLZOCXBDSA-N 1 3 337.468 0.303 20 0 ECADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC000645621649 440868734 /nfs/dbraw/zinc/86/87/34/440868734.db2.gz IEZACCJZUGAAJZ-WBVHZDCISA-N 1 3 344.459 0.892 20 0 ECADHO O=C(N[C@@H](CO)CN1CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000640322814 440900114 /nfs/dbraw/zinc/90/01/14/440900114.db2.gz XRKVNVDMTFFXLD-HZPDHXFCSA-N 1 3 341.521 0.777 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000645959192 440958113 /nfs/dbraw/zinc/95/81/13/440958113.db2.gz FNXGVHGCCXDLEX-HZPDHXFCSA-N 1 3 349.479 0.630 20 0 ECADHO CC(C)C[N@H+](CCN(C)C)CCn1cc([C@H](N)[C@@H]2CCCO2)nn1 ZINC000630610304 440923364 /nfs/dbraw/zinc/92/33/64/440923364.db2.gz IWZRTMUGBMZNNL-IRXDYDNUSA-N 1 3 338.500 0.977 20 0 ECADHO CC(C)C[N@@H+](CCN(C)C)CCn1cc([C@H](N)[C@@H]2CCCO2)nn1 ZINC000630610304 440923369 /nfs/dbraw/zinc/92/33/69/440923369.db2.gz IWZRTMUGBMZNNL-IRXDYDNUSA-N 1 3 338.500 0.977 20 0 ECADHO CC(C)CN(CCn1cc([C@H](N)[C@@H]2CCCO2)nn1)CC[NH+](C)C ZINC000630610304 440923373 /nfs/dbraw/zinc/92/33/73/440923373.db2.gz IWZRTMUGBMZNNL-IRXDYDNUSA-N 1 3 338.500 0.977 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635642983 440932332 /nfs/dbraw/zinc/93/23/32/440932332.db2.gz CIRUBABAKXYNKR-USXIJHARSA-N 1 3 339.480 0.401 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cncc(N2CCCC2)n1 ZINC000630931625 440983323 /nfs/dbraw/zinc/98/33/23/440983323.db2.gz SSCHHKQAAZUSFG-UHFFFAOYSA-N 1 3 334.468 0.642 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662251377 440993800 /nfs/dbraw/zinc/99/38/00/440993800.db2.gz AWACCDBDVYDXTI-ZNMIVQPWSA-N 1 3 325.453 0.371 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662251377 440993805 /nfs/dbraw/zinc/99/38/05/440993805.db2.gz AWACCDBDVYDXTI-ZNMIVQPWSA-N 1 3 325.453 0.371 20 0 ECADHO CCN1CCC(NC(=O)CN2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000646102960 440993819 /nfs/dbraw/zinc/99/38/19/440993819.db2.gz YTWKNIPBHUGKOX-UHFFFAOYSA-N 1 3 338.496 0.384 20 0 ECADHO CCOCCCNC(=O)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662250942 440995012 /nfs/dbraw/zinc/99/50/12/440995012.db2.gz SXSGOHMGOJTDQU-INIZCTEOSA-N 1 3 339.480 0.762 20 0 ECADHO CCN1CCN(C(=O)CC2CCN(C[C@](C)(O)C[NH2+]C)CC2)CC1 ZINC000652338995 441054346 /nfs/dbraw/zinc/05/43/46/441054346.db2.gz TWTKITGQSHMQIK-GOSISDBHSA-N 1 3 340.512 0.223 20 0 ECADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348933 441057594 /nfs/dbraw/zinc/05/75/94/441057594.db2.gz WGENNEFVXHASIK-YESZJQIVSA-N 1 3 349.479 0.597 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652347498 441058841 /nfs/dbraw/zinc/05/88/41/441058841.db2.gz CKSWACYLYZDMRV-IHRRRGAJSA-N 1 3 338.452 0.535 20 0 ECADHO CCS(=O)(=O)NCCCN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363939 441059533 /nfs/dbraw/zinc/05/95/33/441059533.db2.gz SQBNFTVJULVYQQ-RBSFLKMASA-N 1 3 333.498 0.677 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000662630960 441079787 /nfs/dbraw/zinc/07/97/87/441079787.db2.gz JHXDATGOCHYVDE-RLFYNMQTSA-N 1 3 340.512 0.519 20 0 ECADHO COC[C@@H]([NH3+])Cc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641228478 441080808 /nfs/dbraw/zinc/08/08/08/441080808.db2.gz ALPWWRDGHKQMST-WMZOPIPTSA-N 1 3 345.447 0.431 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340208628 321021831 /nfs/dbraw/zinc/02/18/31/321021831.db2.gz DDRDRKNGYAVIHC-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340208628 321021832 /nfs/dbraw/zinc/02/18/32/321021832.db2.gz DDRDRKNGYAVIHC-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000340219935 321024465 /nfs/dbraw/zinc/02/44/65/321024465.db2.gz MCTIZMGWLFSQHL-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000340219935 321024467 /nfs/dbraw/zinc/02/44/67/321024467.db2.gz MCTIZMGWLFSQHL-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000340220058 321025075 /nfs/dbraw/zinc/02/50/75/321025075.db2.gz MQOHYOCQXRGOLC-MRXNPFEDSA-N 1 3 338.496 0.683 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000340220058 321025077 /nfs/dbraw/zinc/02/50/77/321025077.db2.gz MQOHYOCQXRGOLC-MRXNPFEDSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000340250347 321028939 /nfs/dbraw/zinc/02/89/39/321028939.db2.gz AHPGRPWIBGVQJE-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000340250347 321028940 /nfs/dbraw/zinc/02/89/40/321028940.db2.gz AHPGRPWIBGVQJE-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CCN(C)CCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340254253 321029644 /nfs/dbraw/zinc/02/96/44/321029644.db2.gz OXCSLTLGXIVDAE-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340257659 321030672 /nfs/dbraw/zinc/03/06/72/321030672.db2.gz RSHKUKYBUBMTSN-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000340257659 321030673 /nfs/dbraw/zinc/03/06/73/321030673.db2.gz RSHKUKYBUBMTSN-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340260064 321031320 /nfs/dbraw/zinc/03/13/20/321031320.db2.gz PIPHXJAZNMXNPX-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340260064 321031321 /nfs/dbraw/zinc/03/13/21/321031321.db2.gz PIPHXJAZNMXNPX-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)CN1CCN(C)CC1 ZINC000341237137 321051991 /nfs/dbraw/zinc/05/19/91/321051991.db2.gz CJGWNJFVLXNXHJ-HNNXBMFYSA-N 1 3 334.468 0.098 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000343315775 321132788 /nfs/dbraw/zinc/13/27/88/321132788.db2.gz YYQFBRFERWSWRD-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000343315775 321132789 /nfs/dbraw/zinc/13/27/89/321132789.db2.gz YYQFBRFERWSWRD-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(N)=O ZINC000344182891 321142748 /nfs/dbraw/zinc/14/27/48/321142748.db2.gz RLIXONINOAQVMH-OAHLLOKOSA-N 1 3 339.484 0.354 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347965330 321260225 /nfs/dbraw/zinc/26/02/25/321260225.db2.gz FXIBAZADVWFIRA-QXSJWSMHSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347965330 321260226 /nfs/dbraw/zinc/26/02/26/321260226.db2.gz FXIBAZADVWFIRA-QXSJWSMHSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@@H](OC[C@H]1CCCCO1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531118236 322035597 /nfs/dbraw/zinc/03/55/97/322035597.db2.gz DPJMSQUEZOQVJH-HZPDHXFCSA-N 1 3 329.485 0.912 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000531811327 322045585 /nfs/dbraw/zinc/04/55/85/322045585.db2.gz KKOUMGGPLZISSO-DJIMGWMZSA-N 1 3 338.496 0.861 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000533111290 322065009 /nfs/dbraw/zinc/06/50/09/322065009.db2.gz AOERHLNXSUODFE-ZWKOTPCHSA-N 1 3 335.448 0.052 20 0 ECADHO C[C@@H]1CCC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1C ZINC000559351861 322218907 /nfs/dbraw/zinc/21/89/07/322218907.db2.gz HHDACIBTLNRPCB-OAGGEKHMSA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000561248509 322257601 /nfs/dbraw/zinc/25/76/01/322257601.db2.gz FOMAIPMSDSOFTL-INIZCTEOSA-N 1 3 332.448 0.562 20 0 ECADHO O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000562958140 322289480 /nfs/dbraw/zinc/28/94/80/322289480.db2.gz PRBLLTRUHQZDBR-SJORKVTESA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000563415040 322316809 /nfs/dbraw/zinc/31/68/09/322316809.db2.gz BUTVHCZPKJCDPD-OAHLLOKOSA-N 1 3 335.452 0.734 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000563493037 322322672 /nfs/dbraw/zinc/32/26/72/322322672.db2.gz FXLXYTYGJWHYAV-GFCCVEGCSA-N 1 3 336.436 0.810 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000564347844 322371704 /nfs/dbraw/zinc/37/17/04/322371704.db2.gz HTLQQCRSICZQSB-CQSZACIVSA-N 1 3 326.485 0.857 20 0 ECADHO C[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C[NH+]1CCCCC1 ZINC000564842446 322398859 /nfs/dbraw/zinc/39/88/59/322398859.db2.gz HPORUQZSIQZUIO-HYVNUMGLSA-N 1 3 348.495 0.978 20 0 ECADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000565893354 322485552 /nfs/dbraw/zinc/48/55/52/322485552.db2.gz BWOYXMYASSGIIY-BFHYXJOUSA-N 1 3 337.468 0.107 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000566058410 322496177 /nfs/dbraw/zinc/49/61/77/322496177.db2.gz HCZSQGGPAKZUNY-KRWDZBQOSA-N 1 3 346.475 0.391 20 0 ECADHO O=C(C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000567644297 322590804 /nfs/dbraw/zinc/59/08/04/322590804.db2.gz GBHBXTGPMFGGNU-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNCCO2 ZINC000568265727 322622001 /nfs/dbraw/zinc/62/20/01/322622001.db2.gz LUZSFJBSIBWZDK-AWEZNQCLSA-N 1 3 332.404 0.365 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000570291730 322682721 /nfs/dbraw/zinc/68/27/21/322682721.db2.gz DNUSHLGEBSPYLH-DLBZAZTESA-N 1 3 342.443 0.666 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1ccc2ccccc2c1=O ZINC000575848925 322797084 /nfs/dbraw/zinc/79/70/84/322797084.db2.gz WOAGXGPQAFHIBU-UHFFFAOYSA-N 1 3 344.459 0.953 20 0 ECADHO COc1ccc(CCNC[C@]2(C)CC[NH2+]C2)cc1S(N)(=O)=O ZINC000576107218 322801605 /nfs/dbraw/zinc/80/16/05/322801605.db2.gz FEVJNIYIVAAGPY-HNNXBMFYSA-N 1 3 327.450 0.474 20 0 ECADHO CS[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1N(C)C ZINC000577862643 322848752 /nfs/dbraw/zinc/84/87/52/322848752.db2.gz FCJQISMENGADLN-KBPBESRZSA-N 1 3 325.482 0.562 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C[NH+]1CCCCC1 ZINC000578524514 322866933 /nfs/dbraw/zinc/86/69/33/322866933.db2.gz ILOJDMBIQIPEBP-ILXRZTDVSA-N 1 3 337.468 0.062 20 0 ECADHO COC1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCOCC1 ZINC000126632082 545771725 /nfs/dbraw/zinc/77/17/25/545771725.db2.gz ULMGTZUAHZWEDH-UHFFFAOYSA-N 1 3 330.473 0.317 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000342997834 546091175 /nfs/dbraw/zinc/09/11/75/546091175.db2.gz XALXDAXPUCDHIP-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCN(C3CCCCC3)C1)C2 ZINC000621849237 546577330 /nfs/dbraw/zinc/57/73/30/546577330.db2.gz PUFNGOIWIJLKLC-KHYOSLBOSA-N 1 3 348.491 0.849 20 0 ECADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(c3ccncc3)CC1)C2 ZINC000622025087 546607349 /nfs/dbraw/zinc/60/73/49/546607349.db2.gz KHBLBPYSDPMKIV-KBXCAEBGSA-N 1 3 343.431 0.070 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)C3(C(=O)NC4CC4)CC3)CC2)CC1 ZINC000624247777 546895534 /nfs/dbraw/zinc/89/55/34/546895534.db2.gz FSPDSXAUMMEORN-UHFFFAOYSA-N 1 3 348.491 0.720 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000625465615 547107589 /nfs/dbraw/zinc/10/75/89/547107589.db2.gz JMCWVBNHQQQUFB-JLVBRIDZSA-N 1 3 338.496 0.491 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000625883734 547247051 /nfs/dbraw/zinc/24/70/51/547247051.db2.gz NYNCYAGLAWRHCS-UHFFFAOYSA-N 1 3 338.456 0.850 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000667264237 547492583 /nfs/dbraw/zinc/49/25/83/547492583.db2.gz GVABYRYZNRTLSB-OAHLLOKOSA-N 1 3 348.447 0.824 20 0 ECADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000667586023 547533644 /nfs/dbraw/zinc/53/36/44/547533644.db2.gz HIELUXZVTSLZMI-ZFWWWQNUSA-N 1 3 336.411 0.845 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000668351483 547630955 /nfs/dbraw/zinc/63/09/55/547630955.db2.gz FUMUVJUCDGZKPA-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(CCC[NH2+]C1CCN(c2ccncc2)CC1)S(C)(=O)=O ZINC000668433978 547655006 /nfs/dbraw/zinc/65/50/06/547655006.db2.gz DJGKIFMBCQFOET-UHFFFAOYSA-N 1 3 326.466 0.922 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000668891346 547779022 /nfs/dbraw/zinc/77/90/22/547779022.db2.gz BBPLGTBFVKQMDP-JYJNAYRXSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000668891346 547779024 /nfs/dbraw/zinc/77/90/24/547779024.db2.gz BBPLGTBFVKQMDP-JYJNAYRXSA-N 1 3 338.496 0.822 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000668933079 547792201 /nfs/dbraw/zinc/79/22/01/547792201.db2.gz AMEUBUVKARUVED-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000669403413 547886121 /nfs/dbraw/zinc/88/61/21/547886121.db2.gz ZZGJLHIBZKCWLB-UONOGXRCSA-N 1 3 325.457 0.110 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000669489645 547897535 /nfs/dbraw/zinc/89/75/35/547897535.db2.gz GVNWBZMUKLXGSP-MRXNPFEDSA-N 1 3 325.501 0.831 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670442036 548011576 /nfs/dbraw/zinc/01/15/76/548011576.db2.gz CCYAPGPHCNDZNG-XRGAULLZSA-N 1 3 334.464 0.280 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670442036 548011578 /nfs/dbraw/zinc/01/15/78/548011578.db2.gz CCYAPGPHCNDZNG-XRGAULLZSA-N 1 3 334.464 0.280 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671122236 548094740 /nfs/dbraw/zinc/09/47/40/548094740.db2.gz AVXBSURMCZTFRR-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671122236 548094745 /nfs/dbraw/zinc/09/47/45/548094745.db2.gz AVXBSURMCZTFRR-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671365857 548128880 /nfs/dbraw/zinc/12/88/80/548128880.db2.gz SUTWYHWYKBAALI-HNNXBMFYSA-N 1 3 347.463 0.577 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672011213 548254643 /nfs/dbraw/zinc/25/46/43/548254643.db2.gz QSBAXOCHNILNKY-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(C)(C)C[NH+](C)C ZINC000672312462 548309957 /nfs/dbraw/zinc/30/99/57/548309957.db2.gz PCHOIQRTSCNLLM-ZFWWWQNUSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCCC23CCN(C)CC3)CC[N@@H+]1C ZINC000672593387 548357986 /nfs/dbraw/zinc/35/79/86/548357986.db2.gz STCZMYUEEKYEBQ-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCCC23CCN(C)CC3)CC[N@H+]1C ZINC000672593387 548357988 /nfs/dbraw/zinc/35/79/88/548357988.db2.gz STCZMYUEEKYEBQ-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H](C(=O)N[C@@H]1CCCN(C)C1)[C@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000682893505 549445110 /nfs/dbraw/zinc/44/51/10/549445110.db2.gz WJCMDOSEVHTYCY-QKPAOTATSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C(=O)N[C@@H]1CCCN(C)C1)[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000682893505 549445114 /nfs/dbraw/zinc/44/51/14/549445114.db2.gz WJCMDOSEVHTYCY-QKPAOTATSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[C@H](C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000682893505 549445120 /nfs/dbraw/zinc/44/51/20/549445120.db2.gz WJCMDOSEVHTYCY-QKPAOTATSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@H](C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000682893505 549445125 /nfs/dbraw/zinc/44/51/25/549445125.db2.gz WJCMDOSEVHTYCY-QKPAOTATSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000685519275 549703482 /nfs/dbraw/zinc/70/34/82/549703482.db2.gz BQRXVUPUULZRRF-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=S)NCCN(C)C)CC1 ZINC000748598601 579326966 /nfs/dbraw/zinc/32/69/66/579326966.db2.gz OVMYKTMKRUABDT-HZPDHXFCSA-N 1 3 341.569 0.913 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H]([NH+]3CCCC3)C1)C2=O ZINC000727168413 578156328 /nfs/dbraw/zinc/15/63/28/578156328.db2.gz DFGAGONUXAIENG-AWEZNQCLSA-N 1 3 335.452 0.130 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCOCC2)nc1 ZINC000729435077 578295725 /nfs/dbraw/zinc/29/57/25/578295725.db2.gz GOKXRJCESFZURE-UHFFFAOYSA-N 1 3 349.479 0.484 20 0 ECADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000729507447 578296599 /nfs/dbraw/zinc/29/65/99/578296599.db2.gz UOJUDLGHYZGFJU-SJORKVTESA-N 1 3 345.447 0.776 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCN1CCOCC1 ZINC000733164534 578333255 /nfs/dbraw/zinc/33/32/55/578333255.db2.gz WKSJANWTNFQXJM-UHFFFAOYSA-N 1 3 326.485 0.193 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCN1CCOCC1 ZINC000733164534 578333257 /nfs/dbraw/zinc/33/32/57/578333257.db2.gz WKSJANWTNFQXJM-UHFFFAOYSA-N 1 3 326.485 0.193 20 0 ECADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCN1CCOCC1 ZINC000733164534 578333258 /nfs/dbraw/zinc/33/32/58/578333258.db2.gz WKSJANWTNFQXJM-UHFFFAOYSA-N 1 3 326.485 0.193 20 0 ECADHO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000733997024 578351227 /nfs/dbraw/zinc/35/12/27/578351227.db2.gz PHYCQEVXMMPIRR-MLJKTZRHSA-N 1 3 341.477 0.850 20 0 ECADHO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000733997024 578351229 /nfs/dbraw/zinc/35/12/29/578351229.db2.gz PHYCQEVXMMPIRR-MLJKTZRHSA-N 1 3 341.477 0.850 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793696094 578935313 /nfs/dbraw/zinc/93/53/13/578935313.db2.gz FHBBUIWWCDNJTL-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793714424 578936887 /nfs/dbraw/zinc/93/68/87/578936887.db2.gz SCLLUCDZFQVZLJ-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793714424 578936888 /nfs/dbraw/zinc/93/68/88/578936888.db2.gz SCLLUCDZFQVZLJ-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)N1CCCCC1 ZINC000793725329 578937721 /nfs/dbraw/zinc/93/77/21/578937721.db2.gz ZEVJKNYHJNIPNA-OWCLPIDISA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)CCNC(=S)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000767688723 579113797 /nfs/dbraw/zinc/11/37/97/579113797.db2.gz ZVKOZEJHVDKFPF-HUUCEWRRSA-N 1 3 328.526 0.780 20 0 ECADHO CN(C)CCNC(=S)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000767688721 579113837 /nfs/dbraw/zinc/11/38/37/579113837.db2.gz ZVKOZEJHVDKFPF-CABCVRRESA-N 1 3 328.526 0.780 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)N1CCCCC1 ZINC000774852892 579257512 /nfs/dbraw/zinc/25/75/12/579257512.db2.gz FKNNNOMTCMXOPD-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC1CCN(C)CC1 ZINC000774856265 579257799 /nfs/dbraw/zinc/25/77/99/579257799.db2.gz UAXFZGHGNCFFCB-UHFFFAOYSA-N 1 3 346.475 0.917 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)C2=O ZINC000744439126 579809536 /nfs/dbraw/zinc/80/95/36/579809536.db2.gz XOUUZLCDMKAYLW-KGLIPLIRSA-N 1 3 335.452 0.129 20 0 ECADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H]3CC[C@@H](C1)[N@H+]3C)C2=O ZINC000744439126 579809537 /nfs/dbraw/zinc/80/95/37/579809537.db2.gz XOUUZLCDMKAYLW-KGLIPLIRSA-N 1 3 335.452 0.129 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)N1CCCCC1 ZINC000841019268 588976053 /nfs/dbraw/zinc/97/60/53/588976053.db2.gz GELOQNBCVSJAQA-CQSZACIVSA-N 1 3 348.447 0.953 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841791140 589001172 /nfs/dbraw/zinc/00/11/72/589001172.db2.gz NTUASDNYTBYLOD-YYIAUSFCSA-N 1 3 336.480 0.881 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000841790738 589001254 /nfs/dbraw/zinc/00/12/54/589001254.db2.gz INSOEODOJBKDAP-DLBZAZTESA-N 1 3 332.448 0.850 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C[C@H]1c1ccccc1 ZINC000841790266 589001328 /nfs/dbraw/zinc/00/13/28/589001328.db2.gz BJOYHLNWLKMUPJ-XLAORIBOSA-N 1 3 344.459 0.986 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000841921555 589006227 /nfs/dbraw/zinc/00/62/27/589006227.db2.gz SMVSYIQVAHIDIS-UHFFFAOYSA-N 1 3 333.480 0.795 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000842014538 589008374 /nfs/dbraw/zinc/00/83/74/589008374.db2.gz CMBZRCVOHIVAJL-KLHDSHLOSA-N 1 3 336.480 0.481 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804732487 586063193 /nfs/dbraw/zinc/06/31/93/586063193.db2.gz PXQSIZGPHVFMCP-ARFHVFGLSA-N 1 3 336.480 0.576 20 0 ECADHO CCN(C(=O)NCCCCN1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000891356251 586165265 /nfs/dbraw/zinc/16/52/65/586165265.db2.gz HMDFMCBPVUWKJL-INIZCTEOSA-N 1 3 325.501 0.798 20 0 ECADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CCN(CC2CC2)C1 ZINC000891575105 586179061 /nfs/dbraw/zinc/17/90/61/586179061.db2.gz DMYPIVYNQCAZSF-JKSUJKDBSA-N 1 3 336.480 0.929 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)CN1CCN(C)CC1 ZINC000891603890 586180863 /nfs/dbraw/zinc/18/08/63/586180863.db2.gz SBHRMMJZWPJEIL-CVEARBPZSA-N 1 3 339.528 0.947 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000891891243 586203659 /nfs/dbraw/zinc/20/36/59/586203659.db2.gz NSUVLXYFRGHAGF-BRWVUGGUSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000891891243 586203662 /nfs/dbraw/zinc/20/36/62/586203662.db2.gz NSUVLXYFRGHAGF-BRWVUGGUSA-N 1 3 338.496 0.959 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@]2(C)C1 ZINC000895851400 586208584 /nfs/dbraw/zinc/20/85/84/586208584.db2.gz OWMYQVOSCGIONK-HFTRVMKXSA-N 1 3 336.480 0.833 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@]2(C)C1 ZINC000895851400 586208586 /nfs/dbraw/zinc/20/85/86/586208586.db2.gz OWMYQVOSCGIONK-HFTRVMKXSA-N 1 3 336.480 0.833 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892041373 586217806 /nfs/dbraw/zinc/21/78/06/586217806.db2.gz STPQDPGAPPCBQI-OAHLLOKOSA-N 1 3 325.501 0.925 20 0 ECADHO CN1CCN(C2CCN(C(=O)NCC3(C)CC[NH2+]CC3)CC2)CC1 ZINC000892054033 586218456 /nfs/dbraw/zinc/21/84/56/586218456.db2.gz RKBQCKRUCHGINK-UHFFFAOYSA-N 1 3 337.512 0.798 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000892090495 586221018 /nfs/dbraw/zinc/22/10/18/586221018.db2.gz ALSDPXXOWKNCHV-HOCLYGCPSA-N 1 3 326.485 0.984 20 0 ECADHO [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000892568705 586273988 /nfs/dbraw/zinc/27/39/88/586273988.db2.gz YELIQROEHLDVQJ-BRWVUGGUSA-N 1 3 332.448 0.790 20 0 ECADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC1CCN(C)CC1 ZINC000897341031 586301174 /nfs/dbraw/zinc/30/11/74/586301174.db2.gz DWUJZBSLMWUQPS-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CC[NH+](CC)CC[C@H](CO)NC(=O)C1CN(C2CCOCC2)C1 ZINC000897634771 586353778 /nfs/dbraw/zinc/35/37/78/586353778.db2.gz OFQBJMMBSVNHIQ-OAHLLOKOSA-N 1 3 327.469 0.306 20 0 ECADHO COC(=O)[C@@H]1[C@H](CN2CCC(C(=O)NCC[NH+](C)C)CC2)C1(F)F ZINC000893978598 586369175 /nfs/dbraw/zinc/36/91/75/586369175.db2.gz UGJRIPGIAUTKLT-STQMWFEESA-N 1 3 347.406 0.431 20 0 ECADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)C1 ZINC000900418674 586630723 /nfs/dbraw/zinc/63/07/23/586630723.db2.gz QEMMZILXWUHMIB-SJLPKXTDSA-N 1 3 339.480 0.547 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843263093 589058484 /nfs/dbraw/zinc/05/84/84/589058484.db2.gz VXGFHJRQEHRZLE-CQSZACIVSA-N 1 3 326.485 0.810 20 0 ECADHO CC[C@@H](C(=O)N[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000900666064 586652919 /nfs/dbraw/zinc/65/29/19/586652919.db2.gz QANOFZSXLWTBSO-ILXRZTDVSA-N 1 3 328.501 0.924 20 0 ECADHO CC[C@@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000900666064 586652921 /nfs/dbraw/zinc/65/29/21/586652921.db2.gz QANOFZSXLWTBSO-ILXRZTDVSA-N 1 3 328.501 0.924 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000900726197 586659645 /nfs/dbraw/zinc/65/96/45/586659645.db2.gz UBNDCSKEBGVHCB-AEFFLSMTSA-N 1 3 338.496 0.072 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000900726197 586659646 /nfs/dbraw/zinc/65/96/46/586659646.db2.gz UBNDCSKEBGVHCB-AEFFLSMTSA-N 1 3 338.496 0.072 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000901229552 586702617 /nfs/dbraw/zinc/70/26/17/586702617.db2.gz UNTVEEKOQADTCJ-QGZVFWFLSA-N 1 3 327.469 0.138 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000901229552 586702618 /nfs/dbraw/zinc/70/26/18/586702618.db2.gz UNTVEEKOQADTCJ-QGZVFWFLSA-N 1 3 327.469 0.138 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCC([NH3+])CC1 ZINC000843352797 589063340 /nfs/dbraw/zinc/06/33/40/589063340.db2.gz LWCRHSVVYWBAKC-UHFFFAOYSA-N 1 3 348.447 0.766 20 0 ECADHO C[C@@H](C(=O)NCC(F)(F)F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507056 586783071 /nfs/dbraw/zinc/78/30/71/586783071.db2.gz LLLCNCNLKAYCLJ-FPMFFAJLSA-N 1 3 348.413 0.954 20 0 ECADHO C[C@@H](C(=O)NCC(F)(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507056 586783073 /nfs/dbraw/zinc/78/30/73/586783073.db2.gz LLLCNCNLKAYCLJ-FPMFFAJLSA-N 1 3 348.413 0.954 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903553166 586788115 /nfs/dbraw/zinc/78/81/15/586788115.db2.gz AWNFCORVFBNLEV-CYBMUJFWSA-N 1 3 343.497 0.338 20 0 ECADHO CNS(=O)(=O)C[C@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903775213 586813845 /nfs/dbraw/zinc/81/38/45/586813845.db2.gz ITFMVPBRRRZZKH-LSDHHAIUSA-N 1 3 345.509 0.406 20 0 ECADHO NC(=O)Cc1cccc2c1CCN(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903777355 586814217 /nfs/dbraw/zinc/81/42/17/586814217.db2.gz APBDQHPQHZBUBW-APWZRJJASA-N 1 3 329.444 0.841 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCN1c1ccncc1 ZINC000903777467 586814318 /nfs/dbraw/zinc/81/43/18/586814318.db2.gz YAGKGKVOBFBXDM-HIFRSBDPSA-N 1 3 345.447 0.314 20 0 ECADHO COCC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000903837572 586819071 /nfs/dbraw/zinc/81/90/71/586819071.db2.gz NPVMLNWOTUXFGR-QZTJIDSGSA-N 1 3 348.491 0.716 20 0 ECADHO COC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000903880939 586822783 /nfs/dbraw/zinc/82/27/83/586822783.db2.gz NMQMLDVAACOJIX-DLBZAZTESA-N 1 3 334.464 0.326 20 0 ECADHO O=S1(=O)CCN(C2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000903925224 586826239 /nfs/dbraw/zinc/82/62/39/586826239.db2.gz BYARHPUFTQPUHA-MQVJKMGUSA-N 1 3 341.521 0.712 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@]43CN)CC[C@@H]21 ZINC000904974620 586852882 /nfs/dbraw/zinc/85/28/82/586852882.db2.gz UGBADKGPSFPPQQ-JEWRLFTDSA-N 1 3 348.491 0.659 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@]43CN)CC[C@@H]21 ZINC000904974620 586852883 /nfs/dbraw/zinc/85/28/83/586852883.db2.gz UGBADKGPSFPPQQ-JEWRLFTDSA-N 1 3 348.491 0.659 20 0 ECADHO NC[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000905000865 586857374 /nfs/dbraw/zinc/85/73/74/586857374.db2.gz MKHSGHBUOUZHPJ-QFBILLFUSA-N 1 3 348.491 0.661 20 0 ECADHO COC(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000820068653 587506861 /nfs/dbraw/zinc/50/68/61/587506861.db2.gz NGLVPNNSIRXZQY-AWEZNQCLSA-N 1 3 343.472 0.352 20 0 ECADHO COC(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000820068653 587506862 /nfs/dbraw/zinc/50/68/62/587506862.db2.gz NGLVPNNSIRXZQY-AWEZNQCLSA-N 1 3 343.472 0.352 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000831108262 588405771 /nfs/dbraw/zinc/40/57/71/588405771.db2.gz JMWDHFJQQKZPJT-QWHCGFSZSA-N 1 3 335.456 0.056 20 0 ECADHO C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H](O)CN ZINC000844225241 589104101 /nfs/dbraw/zinc/10/41/01/589104101.db2.gz MEUIEWDSJWEGLS-MRXNPFEDSA-N 1 3 336.436 0.103 20 0 ECADHO C[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H](O)CN ZINC000844225241 589104102 /nfs/dbraw/zinc/10/41/02/589104102.db2.gz MEUIEWDSJWEGLS-MRXNPFEDSA-N 1 3 336.436 0.103 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)CC[C@H]21 ZINC000867411663 589195864 /nfs/dbraw/zinc/19/58/64/589195864.db2.gz QURSIWIPGOBPLP-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)CC[C@H]21 ZINC000867411663 589195865 /nfs/dbraw/zinc/19/58/65/589195865.db2.gz QURSIWIPGOBPLP-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000849111593 589320870 /nfs/dbraw/zinc/32/08/70/589320870.db2.gz WICSEZJJDLKDDG-QWHCGFSZSA-N 1 3 341.456 0.488 20 0 ECADHO C[NH+](C)CCOc1ccc(CCNC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000852865352 589519394 /nfs/dbraw/zinc/51/93/94/589519394.db2.gz AATJRCRGESLKIQ-HNNXBMFYSA-N 1 3 334.420 0.389 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)C2)C1 ZINC000867797973 589844058 /nfs/dbraw/zinc/84/40/58/589844058.db2.gz FAICNISXYMXSRB-FCEWJHQRSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)C2)C1 ZINC000867797973 589844061 /nfs/dbraw/zinc/84/40/61/589844061.db2.gz FAICNISXYMXSRB-FCEWJHQRSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)CCOCCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868237365 589883057 /nfs/dbraw/zinc/88/30/57/589883057.db2.gz JRAGCAIBZAVSOV-LSDHHAIUSA-N 1 3 334.420 0.134 20 0 ECADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868310017 589891153 /nfs/dbraw/zinc/89/11/53/589891153.db2.gz PXNCJOJLVWTIGK-GDBMZVCRSA-N 1 3 330.432 0.897 20 0 ECADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868310017 589891155 /nfs/dbraw/zinc/89/11/55/589891155.db2.gz PXNCJOJLVWTIGK-GDBMZVCRSA-N 1 3 330.432 0.897 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)CN1CCN(C)CC1 ZINC000868357846 589896195 /nfs/dbraw/zinc/89/61/95/589896195.db2.gz IMKJFOFSGNASLX-BRWVUGGUSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)CN1CCN(C)CC1 ZINC000868357846 589896199 /nfs/dbraw/zinc/89/61/99/589896199.db2.gz IMKJFOFSGNASLX-BRWVUGGUSA-N 1 3 337.512 0.606 20 0 ECADHO CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCC1(C)C ZINC000868407259 589902624 /nfs/dbraw/zinc/90/26/24/589902624.db2.gz UACJMYBDFLBBFU-RRFJBIMHSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000863749739 590033744 /nfs/dbraw/zinc/03/37/44/590033744.db2.gz AKMIEVLZTJDYGM-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870885263 590037577 /nfs/dbraw/zinc/03/75/77/590037577.db2.gz SASPNWYLDODWBP-OTVXOJSOSA-N 1 3 325.453 0.895 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000870998689 590044180 /nfs/dbraw/zinc/04/41/80/590044180.db2.gz GAWVCPPUFZKKOO-KFWWJZLASA-N 1 3 336.436 0.112 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304590 590112923 /nfs/dbraw/zinc/11/29/23/590112923.db2.gz ZBILPBUYBXQMKZ-BARDWOONSA-N 1 3 336.436 0.254 20 0 ECADHO COCC[C@@H](CNC[C@@]1(O)CC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865528986 590149085 /nfs/dbraw/zinc/14/90/85/590149085.db2.gz SZSDHMMKRMPAJK-BBRMVZONSA-N 1 3 331.457 0.572 20 0 ECADHO COCC[C@@H](CNC[C@@]1(O)CC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865528986 590149087 /nfs/dbraw/zinc/14/90/87/590149087.db2.gz SZSDHMMKRMPAJK-BBRMVZONSA-N 1 3 331.457 0.572 20 0 ECADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875060251 590266656 /nfs/dbraw/zinc/26/66/56/590266656.db2.gz MIOQLNGUSFFYKU-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1(C)C ZINC000875081919 590268716 /nfs/dbraw/zinc/26/87/16/590268716.db2.gz CGKGAQSMINHKER-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1(C)C ZINC000875081919 590268718 /nfs/dbraw/zinc/26/87/18/590268718.db2.gz CGKGAQSMINHKER-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC1(C)C ZINC000875099473 590270935 /nfs/dbraw/zinc/27/09/35/590270935.db2.gz QJHRVSFCQRXHJO-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCC1(C)C ZINC000875099473 590270937 /nfs/dbraw/zinc/27/09/37/590270937.db2.gz QJHRVSFCQRXHJO-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CCN1C ZINC000875207477 590281986 /nfs/dbraw/zinc/28/19/86/590281986.db2.gz AUNBBDQKXHOITF-YOFIQYCBSA-N 1 3 338.496 0.964 20 0 ECADHO O=C(CN1CCNCC1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876519860 590384429 /nfs/dbraw/zinc/38/44/29/590384429.db2.gz AWSGJPAPKWWLJR-UHFFFAOYSA-N 1 3 346.431 0.439 20 0 ECADHO COC[C@@]1(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCN1 ZINC000876719106 590402725 /nfs/dbraw/zinc/40/27/25/590402725.db2.gz CXUDNYWUCIXDSX-FUHWJXTLSA-N 1 3 339.480 0.905 20 0 ECADHO Cn1ncc(CN)c1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000876719839 590403334 /nfs/dbraw/zinc/40/33/34/590403334.db2.gz WURRYIHSZZEBMR-UHFFFAOYSA-N 1 3 331.420 0.749 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000876740407 590407203 /nfs/dbraw/zinc/40/72/03/590407203.db2.gz MHSIRCYEVFTBBL-HZPDHXFCSA-N 1 3 346.475 0.968 20 0 ECADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000876743339 590407489 /nfs/dbraw/zinc/40/74/89/590407489.db2.gz CMVSIWVBDWQABH-OWCLPIDISA-N 1 3 347.463 0.709 20 0 ECADHO Cn1ncc(CN)c1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000876769480 590412689 /nfs/dbraw/zinc/41/26/89/590412689.db2.gz YMKQCRKNXHXZCR-UHFFFAOYSA-N 1 3 327.432 0.708 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876780978 590414460 /nfs/dbraw/zinc/41/44/60/590414460.db2.gz LHNACLJBXFLZGB-ROUUACIJSA-N 1 3 348.466 0.998 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc2n(n1)CCN(C)C2 ZINC000880817980 590421203 /nfs/dbraw/zinc/42/12/03/590421203.db2.gz IFDXUYDSSNFKJL-UHFFFAOYSA-N 1 3 337.472 0.286 20 0 ECADHO CC(C)C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)C(=O)NCCN(C)C ZINC000877126571 590439684 /nfs/dbraw/zinc/43/96/84/590439684.db2.gz NZEVQZNGZFETGM-HNNXBMFYSA-N 1 3 347.525 0.493 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1=NO[C@H](CN)C1 ZINC000877134594 590440342 /nfs/dbraw/zinc/44/03/42/590440342.db2.gz VCNXQAQAKVKOMZ-BMFZPTHFSA-N 1 3 330.432 0.974 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1=NO[C@H](CN)C1 ZINC000877134594 590440344 /nfs/dbraw/zinc/44/03/44/590440344.db2.gz VCNXQAQAKVKOMZ-BMFZPTHFSA-N 1 3 330.432 0.974 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)c2)nn1 ZINC000877207332 590445160 /nfs/dbraw/zinc/44/51/60/590445160.db2.gz SLFSGTNUBZUMBP-FUHWJXTLSA-N 1 3 340.431 0.732 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877249016 590449450 /nfs/dbraw/zinc/44/94/50/590449450.db2.gz GUESDDQYDHDBRF-FGTMMUONSA-N 1 3 330.476 0.998 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877249016 590449453 /nfs/dbraw/zinc/44/94/53/590449453.db2.gz GUESDDQYDHDBRF-FGTMMUONSA-N 1 3 330.476 0.998 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000877339971 590458993 /nfs/dbraw/zinc/45/89/93/590458993.db2.gz DNSYSBQDGGEKGP-HZPDHXFCSA-N 1 3 340.431 0.647 20 0 ECADHO CN1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000878491480 590524195 /nfs/dbraw/zinc/52/41/95/590524195.db2.gz LXKWMEBWBQFOBK-IAGOWNOFSA-N 1 3 338.496 0.430 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000879127026 590565285 /nfs/dbraw/zinc/56/52/85/590565285.db2.gz PVKGSABDPYZAOJ-LJQANCHMSA-N 1 3 349.475 0.650 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC000883639437 590637565 /nfs/dbraw/zinc/63/75/65/590637565.db2.gz PKJWBVHXMFYBOC-ILXRZTDVSA-N 1 3 345.447 0.314 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1ccncc1 ZINC000883642784 590639317 /nfs/dbraw/zinc/63/93/17/590639317.db2.gz VDBQJUURSSTZTG-KFWWJZLASA-N 1 3 343.431 0.082 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884542 590641616 /nfs/dbraw/zinc/64/16/16/590641616.db2.gz DDVWLGDHOQKSEV-GJZGRUSLSA-N 1 3 338.496 0.822 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCNCCC34CCC4)C2)C1 ZINC000883658982 590645894 /nfs/dbraw/zinc/64/58/94/590645894.db2.gz UIVQJRMLBBTSDD-KRWDZBQOSA-N 1 3 334.464 0.285 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCNCCC34CCC4)C2)C1 ZINC000883658982 590645896 /nfs/dbraw/zinc/64/58/96/590645896.db2.gz UIVQJRMLBBTSDD-KRWDZBQOSA-N 1 3 334.464 0.285 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884921610 590649362 /nfs/dbraw/zinc/64/93/62/590649362.db2.gz BPYSLDRVJZKPPY-IIAWOOMASA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885005507 590667078 /nfs/dbraw/zinc/66/70/78/590667078.db2.gz WRPKMDKOQNNQTJ-XGUBFFRZSA-N 1 3 336.480 0.622 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000885014355 590668848 /nfs/dbraw/zinc/66/88/48/590668848.db2.gz DSIMAKYEAKICLS-YYIAUSFCSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C2CC2)C1 ZINC000889332583 590683362 /nfs/dbraw/zinc/68/33/62/590683362.db2.gz FFZUULWVTKEWIG-ZDUSSCGKSA-N 1 3 325.457 0.232 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N(C2CC2)C1 ZINC000889332583 590683364 /nfs/dbraw/zinc/68/33/64/590683364.db2.gz FFZUULWVTKEWIG-ZDUSSCGKSA-N 1 3 325.457 0.232 20 0 ECADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884207792 590774700 /nfs/dbraw/zinc/77/47/00/590774700.db2.gz GKTOBGDUMSPKTP-CVEARBPZSA-N 1 3 345.447 0.084 20 0 ECADHO O=C(N[C@H]1CNCCC1(F)F)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884298859 590798829 /nfs/dbraw/zinc/79/88/29/590798829.db2.gz FJWVGKMCFSWJSG-LBPRGKRZSA-N 1 3 325.363 0.218 20 0 ECADHO COCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000884405491 590821292 /nfs/dbraw/zinc/82/12/92/590821292.db2.gz RZHFURRJRAOQLW-VHDGCEQUSA-N 1 3 339.411 0.760 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)N1CCC(C)CC1 ZINC000884502546 590845260 /nfs/dbraw/zinc/84/52/60/590845260.db2.gz MKQLPQZTCKHOJE-RLFYNMQTSA-N 1 3 336.480 0.291 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884545925 590853256 /nfs/dbraw/zinc/85/32/56/590853256.db2.gz WYZHAWVQNNUMQA-UHFFFAOYSA-N 1 3 346.475 0.797 20 0 ECADHO CN(C)S(=O)(=O)N1CC(NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886643013 590867575 /nfs/dbraw/zinc/86/75/75/590867575.db2.gz IGNRFYAMIBJMPK-UHFFFAOYSA-N 1 3 344.525 0.864 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)C1=CCN(C)CC1 ZINC000884623879 590875207 /nfs/dbraw/zinc/87/52/07/590875207.db2.gz QPQBQCRPOSDEKN-ZFWWWQNUSA-N 1 3 336.480 0.647 20 0 ECADHO C[C@@]12CN(C(=O)C(=O)NC3CNC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000884692868 590899182 /nfs/dbraw/zinc/89/91/82/590899182.db2.gz BQFXETJDCZOSPX-HNAYVOBHSA-N 1 3 342.443 0.055 20 0 ECADHO C[C@@]12CN(C(=O)C(=O)NC3CNC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884692868 590899184 /nfs/dbraw/zinc/89/91/84/590899184.db2.gz BQFXETJDCZOSPX-HNAYVOBHSA-N 1 3 342.443 0.055 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884785620 590922700 /nfs/dbraw/zinc/92/27/00/590922700.db2.gz AWHAODKMTOSDMW-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884834107 590931827 /nfs/dbraw/zinc/93/18/27/590931827.db2.gz SXQFWOXUPPIHAU-DOTOQJQBSA-N 1 3 346.475 0.678 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884834107 590931830 /nfs/dbraw/zinc/93/18/30/590931830.db2.gz SXQFWOXUPPIHAU-DOTOQJQBSA-N 1 3 346.475 0.678 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887081448 590940008 /nfs/dbraw/zinc/94/00/08/590940008.db2.gz UFIVCPVBEHVIBU-CRAIPNDOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC000887091250 590941959 /nfs/dbraw/zinc/94/19/59/590941959.db2.gz FTZGWSOTNPDDDL-SOUVJXGZSA-N 1 3 345.447 0.314 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000887087937 590942192 /nfs/dbraw/zinc/94/21/92/590942192.db2.gz DCOGSHWLSFJHPM-IMJJTQAJSA-N 1 3 334.464 0.411 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000887087937 590942196 /nfs/dbraw/zinc/94/21/96/590942196.db2.gz DCOGSHWLSFJHPM-IMJJTQAJSA-N 1 3 334.464 0.411 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000887091746 590942711 /nfs/dbraw/zinc/94/27/11/590942711.db2.gz VCMXPHGFJACKLK-HUUCEWRRSA-N 1 3 345.447 0.316 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C1 ZINC000887091708 590943008 /nfs/dbraw/zinc/94/30/08/590943008.db2.gz UIZSSPUEFIBYEK-CABCVRRESA-N 1 3 345.447 0.187 20 0 ECADHO Cc1cc(NC(=O)NCCN(C)CCO)n(C2CC[NH+](C)CC2)n1 ZINC000887869859 591014504 /nfs/dbraw/zinc/01/45/04/591014504.db2.gz QGKIGZWRWYHNIN-UHFFFAOYSA-N 1 3 338.456 0.504 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946633130 611377429 /nfs/dbraw/zinc/37/74/29/611377429.db2.gz JOLODYCXUNKNRF-WCVJEAGWSA-N 1 3 338.496 0.617 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946633130 611377431 /nfs/dbraw/zinc/37/74/31/611377431.db2.gz JOLODYCXUNKNRF-WCVJEAGWSA-N 1 3 338.496 0.617 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000925329932 611470114 /nfs/dbraw/zinc/47/01/14/611470114.db2.gz PZYKBCNLJOZMMS-QLFBSQMISA-N 1 3 337.468 0.027 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000925329932 611470117 /nfs/dbraw/zinc/47/01/17/611470117.db2.gz PZYKBCNLJOZMMS-QLFBSQMISA-N 1 3 337.468 0.027 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946797362 611484222 /nfs/dbraw/zinc/48/42/22/611484222.db2.gz CSKYWUWGEYXETA-IJEWVQPXSA-N 1 3 345.447 0.401 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946797362 611484226 /nfs/dbraw/zinc/48/42/26/611484226.db2.gz CSKYWUWGEYXETA-IJEWVQPXSA-N 1 3 345.447 0.401 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC000946801283 611490459 /nfs/dbraw/zinc/49/04/59/611490459.db2.gz GXFMXUFXVXXTMO-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC000946801283 611490463 /nfs/dbraw/zinc/49/04/63/611490463.db2.gz GXFMXUFXVXXTMO-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)CC[N@@H+]1CCn1cncn1 ZINC000947726215 608969648 /nfs/dbraw/zinc/96/96/48/608969648.db2.gz KTNHZROABKQYPW-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)CC[N@H+]1CCn1cncn1 ZINC000947726215 608969650 /nfs/dbraw/zinc/96/96/50/608969650.db2.gz KTNHZROABKQYPW-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO CN(CC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC000938320712 609734187 /nfs/dbraw/zinc/73/41/87/609734187.db2.gz KCMLNDLDGHIHAN-AWEZNQCLSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000910716917 609755460 /nfs/dbraw/zinc/75/54/60/609755460.db2.gz SRVSJXUWFGGKLH-HDMKZQKVSA-N 1 3 336.480 0.338 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000910716917 609755461 /nfs/dbraw/zinc/75/54/61/609755461.db2.gz SRVSJXUWFGGKLH-HDMKZQKVSA-N 1 3 336.480 0.338 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000910959938 609783460 /nfs/dbraw/zinc/78/34/60/609783460.db2.gz SXKMMEMDWPLFTK-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000910963579 609783828 /nfs/dbraw/zinc/78/38/28/609783828.db2.gz MAWOWVBVINDZJZ-DJIMGWMZSA-N 1 3 346.475 0.910 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000910964545 609784161 /nfs/dbraw/zinc/78/41/61/609784161.db2.gz XOZJGYJOFMTSHX-HZPDHXFCSA-N 1 3 330.432 0.328 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911004449 609793045 /nfs/dbraw/zinc/79/30/45/609793045.db2.gz PZKICWOFLAYKNS-IAGOWNOFSA-N 1 3 344.459 0.575 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+])N1CCC(C)CC1 ZINC000911089888 609807924 /nfs/dbraw/zinc/80/79/24/609807924.db2.gz GIXPUUCTZSDRRH-RKVPGOIHSA-N 1 3 336.480 0.563 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000911160328 609817463 /nfs/dbraw/zinc/81/74/63/609817463.db2.gz BKIAHNJZCOVVOY-CRAIPNDOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000911325320 609848184 /nfs/dbraw/zinc/84/81/84/609848184.db2.gz QUMLLLSGTUMBRE-FPCVCCKLSA-N 1 3 336.480 0.481 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938545443 609860005 /nfs/dbraw/zinc/86/00/05/609860005.db2.gz FDTCOPONQHCLOE-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938545443 609860008 /nfs/dbraw/zinc/86/00/08/609860008.db2.gz FDTCOPONQHCLOE-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000911370294 609863934 /nfs/dbraw/zinc/86/39/34/609863934.db2.gz VNQKHTRAFRSDNW-TZMCWYRMSA-N 1 3 338.477 0.362 20 0 ECADHO CN(C(=O)C(=O)NCCN1CCC(C)(C)C1)C1(C[NH3+])CCCCC1 ZINC000911529657 609886233 /nfs/dbraw/zinc/88/62/33/609886233.db2.gz FHLLCGCRDDLESX-UHFFFAOYSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000938607882 609893397 /nfs/dbraw/zinc/89/33/97/609893397.db2.gz RLVOCGVFDYHOFY-BPLDGKMQSA-N 1 3 333.436 0.352 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000938607882 609893399 /nfs/dbraw/zinc/89/33/99/609893399.db2.gz RLVOCGVFDYHOFY-BPLDGKMQSA-N 1 3 333.436 0.352 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000911595483 609900218 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/nfs/dbraw/zinc/25/07/70/611250770.db2.gz CPVFZVLCQICFGP-AWEZNQCLSA-N 1 3 334.420 0.235 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000929570684 611765878 /nfs/dbraw/zinc/76/58/78/611765878.db2.gz ZHIOGHZHEQBUTO-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000929570684 611765879 /nfs/dbraw/zinc/76/58/79/611765879.db2.gz ZHIOGHZHEQBUTO-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N2CCN(CC[C@@H]3CCCO3)CC2)C1 ZINC000949840380 611777721 /nfs/dbraw/zinc/77/77/21/611777721.db2.gz AVHBNRBJBKQLSH-DLBZAZTESA-N 1 3 339.480 0.809 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N2CC[NH+](CC[C@@H]3CCCO3)CC2)C1 ZINC000949840380 611777724 /nfs/dbraw/zinc/77/77/24/611777724.db2.gz AVHBNRBJBKQLSH-DLBZAZTESA-N 1 3 339.480 0.809 20 0 ECADHO CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CN3CCC[C@@H]3CO1)CCO2 ZINC000949095195 611852236 /nfs/dbraw/zinc/85/22/36/611852236.db2.gz AGXGNVKAMWGDRV-CVEARBPZSA-N 1 3 337.464 0.563 20 0 ECADHO CC[C@@H](C(=O)N1CCOC2(CC[NH+](C[C@H](C)O)CC2)C1)N(C)C ZINC000949191545 611895180 /nfs/dbraw/zinc/89/51/80/611895180.db2.gz OXARVCDXJDFMII-GJZGRUSLSA-N 1 3 327.469 0.401 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950823324 611926207 /nfs/dbraw/zinc/92/62/07/611926207.db2.gz DQKRJIWHYXTKGJ-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000949552612 612029875 /nfs/dbraw/zinc/02/98/75/612029875.db2.gz IBTQBTKJRVGHOT-AWEZNQCLSA-N 1 3 333.436 0.259 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000949552612 612029876 /nfs/dbraw/zinc/02/98/76/612029876.db2.gz IBTQBTKJRVGHOT-AWEZNQCLSA-N 1 3 333.436 0.259 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000955344689 612472832 /nfs/dbraw/zinc/47/28/32/612472832.db2.gz PFSQASXBCKPBHF-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000955344689 612472837 /nfs/dbraw/zinc/47/28/37/612472837.db2.gz PFSQASXBCKPBHF-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954834494 612727495 /nfs/dbraw/zinc/72/74/95/612727495.db2.gz BWTKGYHXTOFNGI-YOEHRIQHSA-N 1 3 338.496 0.584 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954834494 612727497 /nfs/dbraw/zinc/72/74/97/612727497.db2.gz BWTKGYHXTOFNGI-YOEHRIQHSA-N 1 3 338.496 0.584 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000956426426 612879693 /nfs/dbraw/zinc/87/96/93/612879693.db2.gz GVWCFTWSOGHQJI-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@H](C(N)=O)N1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041789965 782214317 /nfs/dbraw/zinc/21/43/17/782214317.db2.gz WOEWQRINVHETQE-PBHICJAKSA-N 1 3 334.464 0.271 20 0 ECADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001024982740 738458948 /nfs/dbraw/zinc/45/89/48/738458948.db2.gz AEXQUDKHWDLHKQ-CVEARBPZSA-N 1 3 336.480 0.720 20 0 ECADHO Cn1cc(CC[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)cn1 ZINC000969135429 731517786 /nfs/dbraw/zinc/51/77/86/731517786.db2.gz JCFDHYVZZQJBAC-HZPDHXFCSA-N 1 3 342.447 0.612 20 0 ECADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H]2CC[N@H+](C)C2)C3)CCC1 ZINC000969208571 731599428 /nfs/dbraw/zinc/59/94/28/731599428.db2.gz UWHXYZXJSLFMCH-HRCADAONSA-N 1 3 348.491 0.624 20 0 ECADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H]2CC[N@@H+](C)C2)C3)CCC1 ZINC000969208571 731599431 /nfs/dbraw/zinc/59/94/31/731599431.db2.gz UWHXYZXJSLFMCH-HRCADAONSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000969595011 731992631 /nfs/dbraw/zinc/99/26/31/731992631.db2.gz HVJNGPABTKPVEA-RRFJBIMHSA-N 1 3 343.493 0.096 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001078073483 782252587 /nfs/dbraw/zinc/25/25/87/782252587.db2.gz IFGJPYVKEMXFQY-KBPBESRZSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H](CCNC(=O)CCC[NH+](C)C)NC(=O)[C@H](C1CC1)N(C)C ZINC001078085156 782278261 /nfs/dbraw/zinc/27/82/61/782278261.db2.gz YMDDMMWECQDJFU-BBRMVZONSA-N 1 3 326.485 0.679 20 0 ECADHO CN1CCC[C@@H]([N@@H+]2CC[C@]3(CCN(C(=O)CN4CCCC4)C3)C2)C1=O ZINC001041831538 782296844 /nfs/dbraw/zinc/29/68/44/782296844.db2.gz NPYBACULMSDIFX-APWZRJJASA-N 1 3 348.491 0.627 20 0 ECADHO CN1CCC[C@@H]([N@H+]2CC[C@]3(CCN(C(=O)CN4CCCC4)C3)C2)C1=O ZINC001041831538 782296852 /nfs/dbraw/zinc/29/68/52/782296852.db2.gz NPYBACULMSDIFX-APWZRJJASA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC000970146362 732974094 /nfs/dbraw/zinc/97/40/94/732974094.db2.gz LRUORDLXOVUEGC-ARLBYUKCSA-N 1 3 345.447 0.352 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC000970146362 732974096 /nfs/dbraw/zinc/97/40/96/732974096.db2.gz LRUORDLXOVUEGC-ARLBYUKCSA-N 1 3 345.447 0.352 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC000970146365 732974224 /nfs/dbraw/zinc/97/42/24/732974224.db2.gz LRUORDLXOVUEGC-OJLVUWQFSA-N 1 3 345.447 0.352 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC000970146365 732974228 /nfs/dbraw/zinc/97/42/28/732974228.db2.gz LRUORDLXOVUEGC-OJLVUWQFSA-N 1 3 345.447 0.352 20 0 ECADHO COC[C@H](O)C[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240967 733087857 /nfs/dbraw/zinc/08/78/57/733087857.db2.gz XOBRPTIDGIBYAX-OAHLLOKOSA-N 1 3 343.512 0.848 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCNC(=O)C2CC2)CC1)N(C)C ZINC001167260654 733105007 /nfs/dbraw/zinc/10/50/07/733105007.db2.gz CRWIQRSWZZXBFD-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC000970482595 733601031 /nfs/dbraw/zinc/60/10/31/733601031.db2.gz WUFNYEXHRCYZRF-UONOGXRCSA-N 1 3 349.431 0.681 20 0 ECADHO COc1coc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000970482595 733601034 /nfs/dbraw/zinc/60/10/34/733601034.db2.gz WUFNYEXHRCYZRF-UONOGXRCSA-N 1 3 349.431 0.681 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N1CCCCC1 ZINC000970719834 733871734 /nfs/dbraw/zinc/87/17/34/733871734.db2.gz LOQACGXVBQBNIE-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C[C@H]2CCc3ncnn32)C1 ZINC000970744583 733900506 /nfs/dbraw/zinc/90/05/06/733900506.db2.gz GMVLIDPAGLZKSN-DZGCQCFKSA-N 1 3 344.463 0.298 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(CCc2ccnn2C)C1 ZINC000970744130 733900885 /nfs/dbraw/zinc/90/08/85/733900885.db2.gz FXFURSLVZNFOEP-AWEZNQCLSA-N 1 3 331.464 0.495 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)c1 ZINC000970786261 733938683 /nfs/dbraw/zinc/93/86/83/733938683.db2.gz RKUBCCFNRFHDTO-SJORKVTESA-N 1 3 344.459 0.783 20 0 ECADHO CN1CCC[C@@H](N[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC000970792110 733943236 /nfs/dbraw/zinc/94/32/36/733943236.db2.gz FKYRFLSRXHDBKZ-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294733 734018515 /nfs/dbraw/zinc/01/85/15/734018515.db2.gz ZCDOMYKETCSWHS-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)C(C)C ZINC001114988369 734726449 /nfs/dbraw/zinc/72/64/49/734726449.db2.gz DOFHWJNMRMLGAV-HZMVEIRTSA-N 1 3 341.496 0.408 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000971561131 734753547 /nfs/dbraw/zinc/75/35/47/734753547.db2.gz SGJRPFPHSWNPBU-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000971561131 734753553 /nfs/dbraw/zinc/75/35/53/734753553.db2.gz SGJRPFPHSWNPBU-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971843064 735224457 /nfs/dbraw/zinc/22/44/57/735224457.db2.gz FPXYFHCXXMGRMF-IRXDYDNUSA-N 1 3 348.495 0.931 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971843064 735224462 /nfs/dbraw/zinc/22/44/62/735224462.db2.gz FPXYFHCXXMGRMF-IRXDYDNUSA-N 1 3 348.495 0.931 20 0 ECADHO O=C(CN1CCCC1)N1CCC([N@H+](CCO)C[C@H]2CCOC2)CC1 ZINC001098562264 735558771 /nfs/dbraw/zinc/55/87/71/735558771.db2.gz VWKGGANJZDJQDO-MRXNPFEDSA-N 1 3 339.480 0.404 20 0 ECADHO O=C(CN1CCCC1)N1CCC([N@@H+](CCO)C[C@H]2CCOC2)CC1 ZINC001098562264 735558774 /nfs/dbraw/zinc/55/87/74/735558774.db2.gz VWKGGANJZDJQDO-MRXNPFEDSA-N 1 3 339.480 0.404 20 0 ECADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000972236440 735822993 /nfs/dbraw/zinc/82/29/93/735822993.db2.gz DSHBBMGTENZSOW-BFYDXBDKSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000972236440 735822999 /nfs/dbraw/zinc/82/29/99/735822999.db2.gz DSHBBMGTENZSOW-BFYDXBDKSA-N 1 3 348.491 0.482 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC000972331423 735957305 /nfs/dbraw/zinc/95/73/05/735957305.db2.gz KQSGLOXOUIPSHS-RHSMWYFYSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC000972331423 735957307 /nfs/dbraw/zinc/95/73/07/735957307.db2.gz KQSGLOXOUIPSHS-RHSMWYFYSA-N 1 3 348.495 0.912 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001022981317 736356803 /nfs/dbraw/zinc/35/68/03/736356803.db2.gz JVGZCGPKPUJLIP-OKILXGFUSA-N 1 3 331.420 0.318 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(=O)[n-]c(C4CC4)n3)C2)C1 ZINC001023086228 736479524 /nfs/dbraw/zinc/47/95/24/736479524.db2.gz FOQXAWPKJSHKSO-MELADBBJSA-N 1 3 345.447 0.748 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(=O)[n-]c(C4CC4)n3)C2)C1 ZINC001023086228 736479529 /nfs/dbraw/zinc/47/95/29/736479529.db2.gz FOQXAWPKJSHKSO-MELADBBJSA-N 1 3 345.447 0.748 20 0 ECADHO C[C@H](C(N)=O)N1CCC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468811 736880319 /nfs/dbraw/zinc/88/03/19/736880319.db2.gz ZSPQSHZYGBFKJH-OLZOCXBDSA-N 1 3 329.404 0.650 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468811 736880321 /nfs/dbraw/zinc/88/03/21/736880321.db2.gz ZSPQSHZYGBFKJH-OLZOCXBDSA-N 1 3 329.404 0.650 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468811 736880323 /nfs/dbraw/zinc/88/03/23/736880323.db2.gz ZSPQSHZYGBFKJH-OLZOCXBDSA-N 1 3 329.404 0.650 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)[nH]1 ZINC001023987038 737584279 /nfs/dbraw/zinc/58/42/79/737584279.db2.gz NPHZSEJIUFSAOK-HOCLYGCPSA-N 1 3 346.479 0.783 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](CNCc2nncn2C)C1 ZINC001024156246 737783545 /nfs/dbraw/zinc/78/35/45/737783545.db2.gz JZFQMOKPTFYXQG-GJZGRUSLSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](CNCc2nncn2C)C1 ZINC001024156246 737783550 /nfs/dbraw/zinc/78/35/50/737783550.db2.gz JZFQMOKPTFYXQG-GJZGRUSLSA-N 1 3 334.468 0.628 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001024239569 737846093 /nfs/dbraw/zinc/84/60/93/737846093.db2.gz XQUQPHQYMGXSNG-AWEZNQCLSA-N 1 3 332.452 0.239 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000973295733 739060956 /nfs/dbraw/zinc/06/09/56/739060956.db2.gz OQHONFYMCULAOT-KLHDSHLOSA-N 1 3 336.480 0.576 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973295733 739060962 /nfs/dbraw/zinc/06/09/62/739060962.db2.gz OQHONFYMCULAOT-KLHDSHLOSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001006464741 751415239 /nfs/dbraw/zinc/41/52/39/751415239.db2.gz SNIQHPSEVPWDCN-HIFRSBDPSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000973466228 739335451 /nfs/dbraw/zinc/33/54/51/739335451.db2.gz KSGFBEMWVWPVGF-VGWMRTNUSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000973466228 739335455 /nfs/dbraw/zinc/33/54/55/739335455.db2.gz KSGFBEMWVWPVGF-VGWMRTNUSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000982012226 751461237 /nfs/dbraw/zinc/46/12/37/751461237.db2.gz SHIXGXFWMCCVLX-INIZCTEOSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000982012226 751461238 /nfs/dbraw/zinc/46/12/38/751461238.db2.gz SHIXGXFWMCCVLX-INIZCTEOSA-N 1 3 346.479 0.687 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799076 739968428 /nfs/dbraw/zinc/96/84/28/739968428.db2.gz SZNRWKVBADZITI-QXDIGNSFSA-N 1 3 349.475 0.323 20 0 ECADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799076 739968431 /nfs/dbraw/zinc/96/84/31/739968431.db2.gz SZNRWKVBADZITI-QXDIGNSFSA-N 1 3 349.475 0.323 20 0 ECADHO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908781 740215979 /nfs/dbraw/zinc/21/59/79/740215979.db2.gz YKFLDWCORIIMQQ-YQDSAWSOSA-N 1 3 333.476 0.942 20 0 ECADHO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908781 740215982 /nfs/dbraw/zinc/21/59/82/740215982.db2.gz YKFLDWCORIIMQQ-YQDSAWSOSA-N 1 3 333.476 0.942 20 0 ECADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001026044172 740328657 /nfs/dbraw/zinc/32/86/57/740328657.db2.gz KSQNHKNBCHZCOA-IDAWXYBZSA-N 1 3 346.479 0.139 20 0 ECADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001026044172 740328659 /nfs/dbraw/zinc/32/86/59/740328659.db2.gz KSQNHKNBCHZCOA-IDAWXYBZSA-N 1 3 346.479 0.139 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026088640 740362795 /nfs/dbraw/zinc/36/27/95/740362795.db2.gz FLPGRKMBHZMQNN-LEOABGAYSA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026088640 740362799 /nfs/dbraw/zinc/36/27/99/740362799.db2.gz FLPGRKMBHZMQNN-LEOABGAYSA-N 1 3 334.464 0.184 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001105014503 741167847 /nfs/dbraw/zinc/16/78/47/741167847.db2.gz SPPWKKDZCVAFML-HUUCEWRRSA-N 1 3 334.468 0.485 20 0 ECADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064573 741273551 /nfs/dbraw/zinc/27/35/51/741273551.db2.gz XIMOTWLESGDPEV-OAGGEKHMSA-N 1 3 329.485 0.408 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CCn3cncn3)CC2)C1 ZINC001026561295 741556263 /nfs/dbraw/zinc/55/62/63/741556263.db2.gz UZTAGNMYTWZJDI-QQFBHYJXSA-N 1 3 334.468 0.637 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001105313741 741740724 /nfs/dbraw/zinc/74/07/24/741740724.db2.gz HSKIUAFOIVYERZ-UHFFFAOYSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327163 741812410 /nfs/dbraw/zinc/81/24/10/741812410.db2.gz URRASCAJQBLKTH-AWEZNQCLSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327163 741812415 /nfs/dbraw/zinc/81/24/15/741812415.db2.gz URRASCAJQBLKTH-AWEZNQCLSA-N 1 3 334.468 0.749 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)CCC1 ZINC001026886289 742041916 /nfs/dbraw/zinc/04/19/16/742041916.db2.gz UDIQXYVLQPORAF-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CCc1nnc(CNC[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1C ZINC001026887887 742043975 /nfs/dbraw/zinc/04/39/75/742043975.db2.gz XFMFSFHFIUQKPH-CXAGYDPISA-N 1 3 348.495 0.656 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001026920539 742087560 /nfs/dbraw/zinc/08/75/60/742087560.db2.gz CZWBPKXNOPDQKD-HOCLYGCPSA-N 1 3 347.463 0.908 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027063536 742431529 /nfs/dbraw/zinc/43/15/29/742431529.db2.gz NEFRHXLJMYUVSM-GJZGRUSLSA-N 1 3 334.468 0.720 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170238 742962603 /nfs/dbraw/zinc/96/26/03/742962603.db2.gz GBMNNCKNFUZFJM-GJZGRUSLSA-N 1 3 347.463 0.765 20 0 ECADHO COc1cncc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170238 742962605 /nfs/dbraw/zinc/96/26/05/742962605.db2.gz GBMNNCKNFUZFJM-GJZGRUSLSA-N 1 3 347.463 0.765 20 0 ECADHO CC(C)n1cc(CNC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001027173146 743005145 /nfs/dbraw/zinc/00/51/45/743005145.db2.gz LFOZLDIWADXKIS-OAHLLOKOSA-N 1 3 346.479 0.893 20 0 ECADHO CN1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1=O ZINC000997002298 743114257 /nfs/dbraw/zinc/11/42/57/743114257.db2.gz VGGXRGCGNUTTQL-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]C[C@@H]3CCc4ncnn43)CC2)C1 ZINC000997004759 743118514 /nfs/dbraw/zinc/11/85/14/743118514.db2.gz GMZAIGYEFCTFSZ-HOCLYGCPSA-N 1 3 346.479 0.688 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cncc(OC)n2)CC1)N(C)C ZINC000997015496 743133863 /nfs/dbraw/zinc/13/38/63/743133863.db2.gz QMNXPYACJFOIAK-HNNXBMFYSA-N 1 3 335.452 0.906 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1)[NH+]1CCCC1 ZINC001027236203 743253623 /nfs/dbraw/zinc/25/36/23/743253623.db2.gz JCRLKRUXQAMVNW-NVXWUHKLSA-N 1 3 348.495 0.874 20 0 ECADHO COc1cc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)on1 ZINC000997187313 743330285 /nfs/dbraw/zinc/33/02/85/743330285.db2.gz NEFCKEPGTCWMBO-UHFFFAOYSA-N 1 3 334.420 0.860 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997188306 743331220 /nfs/dbraw/zinc/33/12/20/743331220.db2.gz POPBSKBFXWOYBM-UHFFFAOYSA-N 1 3 345.447 0.662 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC000997242635 743397954 /nfs/dbraw/zinc/39/79/54/743397954.db2.gz LTVFLWRHRIKVPK-AWEZNQCLSA-N 1 3 347.463 0.710 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC000997242635 743397963 /nfs/dbraw/zinc/39/79/63/743397963.db2.gz LTVFLWRHRIKVPK-AWEZNQCLSA-N 1 3 347.463 0.710 20 0 ECADHO C[C@H]([NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1)C(N)=O ZINC000997357295 743529271 /nfs/dbraw/zinc/52/92/71/743529271.db2.gz RYKTZRQSGQSOCV-ZDUSSCGKSA-N 1 3 332.448 0.816 20 0 ECADHO COc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c(C)n1 ZINC001020588571 751851638 /nfs/dbraw/zinc/85/16/38/751851638.db2.gz FVHUFUWPZOPCFU-RCBQFDQVSA-N 1 3 347.463 0.872 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)C1 ZINC001020589940 751854436 /nfs/dbraw/zinc/85/44/36/751854436.db2.gz IGVMDLCWTXNZJU-ANQUJSFKSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@H](NC(=O)c1occc1CN(C)C)C1CC[NH+](CC(N)=O)CC1 ZINC000997736002 743782521 /nfs/dbraw/zinc/78/25/21/743782521.db2.gz SGCAXERXIWYBQP-LBPRGKRZSA-N 1 3 336.436 0.657 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997736151 743782742 /nfs/dbraw/zinc/78/27/42/743782742.db2.gz ONLIHSMICFKZFK-BBRMVZONSA-N 1 3 338.496 0.809 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1)C1CC1 ZINC000997829794 743841167 /nfs/dbraw/zinc/84/11/67/743841167.db2.gz CBLBXSALTYCAQT-JKSUJKDBSA-N 1 3 336.480 0.433 20 0 ECADHO CCn1cc(CNCC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000997830613 743841214 /nfs/dbraw/zinc/84/12/14/743841214.db2.gz KHTSMPACJQFMNF-QGZVFWFLSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+][C@H]3CCN(C)C3=O)CC2)C1 ZINC000998082472 743967708 /nfs/dbraw/zinc/96/77/08/743967708.db2.gz PRLBJQPDHDTOOH-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000998179108 744032837 /nfs/dbraw/zinc/03/28/37/744032837.db2.gz SKUHDCCVHVZHHX-ILXRZTDVSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000998179108 744032844 /nfs/dbraw/zinc/03/28/44/744032844.db2.gz SKUHDCCVHVZHHX-ILXRZTDVSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976508666 744039065 /nfs/dbraw/zinc/03/90/65/744039065.db2.gz PCVGIMDWFDXPGT-FIDHJVLJSA-N 1 3 348.491 0.384 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976508666 744039067 /nfs/dbraw/zinc/03/90/67/744039067.db2.gz PCVGIMDWFDXPGT-FIDHJVLJSA-N 1 3 348.491 0.384 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414201 744233151 /nfs/dbraw/zinc/23/31/51/744233151.db2.gz JSXYGZMPLRBVKM-IRXDYDNUSA-N 1 3 346.479 0.543 20 0 ECADHO O=C(CN[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCCC1 ZINC000999168163 744545464 /nfs/dbraw/zinc/54/54/64/744545464.db2.gz FCFQDPGZXXVFTJ-IAGOWNOFSA-N 1 3 348.491 0.531 20 0 ECADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1)C1CCC1 ZINC000999363379 744654881 /nfs/dbraw/zinc/65/48/81/744654881.db2.gz HAUYMMRJMVOHNZ-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)C1CCC1 ZINC000999381342 744667907 /nfs/dbraw/zinc/66/79/07/744667907.db2.gz ZFYPCZBDOADWQV-HOCLYGCPSA-N 1 3 346.479 0.830 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC000999401902 744678156 /nfs/dbraw/zinc/67/81/56/744678156.db2.gz AEYQXNROSFZHNV-FHERZECASA-N 1 3 336.480 0.530 20 0 ECADHO CCn1cc(CC[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)cn1 ZINC000999467523 744712246 /nfs/dbraw/zinc/71/22/46/744712246.db2.gz ABMFNBJFCIIGRF-UHFFFAOYSA-N 1 3 330.436 0.990 20 0 ECADHO O=C(N1CCC[C@@H](N[C@H]2CCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC000999491733 744720490 /nfs/dbraw/zinc/72/04/90/744720490.db2.gz XALZKRBZANDBEL-CABCVRRESA-N 1 3 334.464 0.332 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)C1 ZINC000977212091 744790540 /nfs/dbraw/zinc/79/05/40/744790540.db2.gz WXMVOUCYLNKCFB-KATVLWTNSA-N 1 3 348.491 0.241 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999846439 744939241 /nfs/dbraw/zinc/93/92/41/744939241.db2.gz DVLVWZCLAPNKSV-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999846439 744939244 /nfs/dbraw/zinc/93/92/44/744939244.db2.gz DVLVWZCLAPNKSV-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999846443 744939279 /nfs/dbraw/zinc/93/92/79/744939279.db2.gz DVLVWZCLAPNKSV-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999846443 744939280 /nfs/dbraw/zinc/93/92/80/744939280.db2.gz DVLVWZCLAPNKSV-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000999876335 744983724 /nfs/dbraw/zinc/98/37/24/744983724.db2.gz GZOXJHJFQUCQNN-KKUMJFAQSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000999876335 744983728 /nfs/dbraw/zinc/98/37/28/744983728.db2.gz GZOXJHJFQUCQNN-KKUMJFAQSA-N 1 3 336.480 0.386 20 0 ECADHO O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)N1CCC1 ZINC001112535811 745223617 /nfs/dbraw/zinc/22/36/17/745223617.db2.gz BPZSTQDQUBGVCY-KSSFIOAISA-N 1 3 345.447 0.403 20 0 ECADHO C[NH+]1CCC(C(=O)N2CCC[C@H](NCC(=O)N3CCCC3)C2)CC1 ZINC001000080867 745249325 /nfs/dbraw/zinc/24/93/25/745249325.db2.gz IACWCKZYVSCEAC-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(NC1(C2CC[NH+](CCO)CC2)CC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001000157420 745298155 /nfs/dbraw/zinc/29/81/55/745298155.db2.gz KQHFOFYSKFXTCI-CVEARBPZSA-N 1 3 337.464 0.203 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001000192735 745328447 /nfs/dbraw/zinc/32/84/47/745328447.db2.gz NEOYWTMUCZJDCE-HUUCEWRRSA-N 1 3 334.468 0.720 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000192735 745328453 /nfs/dbraw/zinc/32/84/53/745328453.db2.gz NEOYWTMUCZJDCE-HUUCEWRRSA-N 1 3 334.468 0.720 20 0 ECADHO Cn1cc(CCN2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001028266220 752003251 /nfs/dbraw/zinc/00/32/51/752003251.db2.gz RNYRSIIEPCDNPF-INIZCTEOSA-N 1 3 331.464 0.639 20 0 ECADHO CN(C[C@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000977762353 745488014 /nfs/dbraw/zinc/48/80/14/745488014.db2.gz VCZNCMPRYNWSRY-HZPDHXFCSA-N 1 3 345.447 0.353 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)cc1 ZINC001000467586 745523231 /nfs/dbraw/zinc/52/32/31/745523231.db2.gz RSAAIBLPUWAWHZ-SJORKVTESA-N 1 3 344.459 0.831 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000977818629 745537522 /nfs/dbraw/zinc/53/75/22/745537522.db2.gz QIBMPWZSEHXGKU-OWCLPIDISA-N 1 3 347.463 0.742 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000977818629 745537526 /nfs/dbraw/zinc/53/75/26/745537526.db2.gz QIBMPWZSEHXGKU-OWCLPIDISA-N 1 3 347.463 0.742 20 0 ECADHO O=C(NC[C@@H]1CCCN1C[C@@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001028268446 752013568 /nfs/dbraw/zinc/01/35/68/752013568.db2.gz STIFSNVAOIFYQP-GJZGRUSLSA-N 1 3 344.463 0.442 20 0 ECADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001075798666 745648392 /nfs/dbraw/zinc/64/83/92/745648392.db2.gz JVSNMSXQRVJXQV-RCCFBDPRSA-N 1 3 343.475 0.758 20 0 ECADHO CC(C)c1nc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000916323 745895489 /nfs/dbraw/zinc/89/54/89/745895489.db2.gz GRBJLWZSNYRKGP-KBPBESRZSA-N 1 3 334.468 0.960 20 0 ECADHO CC(C)c1nc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000916323 745895493 /nfs/dbraw/zinc/89/54/93/745895493.db2.gz GRBJLWZSNYRKGP-KBPBESRZSA-N 1 3 334.468 0.960 20 0 ECADHO O=C(CN[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1)N1CCC1 ZINC001000990226 745956124 /nfs/dbraw/zinc/95/61/24/745956124.db2.gz AVJXZTDGZAFZNJ-MRXNPFEDSA-N 1 3 336.480 0.675 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCNC3=O)C2)c1 ZINC001000991042 745956802 /nfs/dbraw/zinc/95/68/02/745956802.db2.gz HSTJSWRWYQTYPT-SJORKVTESA-N 1 3 344.459 0.831 20 0 ECADHO Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC000984213660 746052093 /nfs/dbraw/zinc/05/20/93/746052093.db2.gz JLKHJIPQRCJRLC-AULYBMBSSA-N 1 3 340.391 0.156 20 0 ECADHO CNC(=O)[C@H](C)N1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001375200 746321379 /nfs/dbraw/zinc/32/13/79/746321379.db2.gz DHCFTUYLKFHMGI-ZDUSSCGKSA-N 1 3 345.447 0.644 20 0 ECADHO O=C(NCC1CCN(CCn2cncn2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001001415758 746355713 /nfs/dbraw/zinc/35/57/13/746355713.db2.gz RVBYWZGLGKUICV-KRWDZBQOSA-N 1 3 346.479 0.448 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC2=CCN(C[C@H]3CCc4ncnn43)CC2)C1 ZINC001001447490 746385594 /nfs/dbraw/zinc/38/55/94/746385594.db2.gz BYMSSGBEWJNIDK-JKSUJKDBSA-N 1 3 344.463 0.465 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(C[C@H]3CCc4ncnn43)CC2)C1 ZINC001001447490 746385600 /nfs/dbraw/zinc/38/56/00/746385600.db2.gz BYMSSGBEWJNIDK-JKSUJKDBSA-N 1 3 344.463 0.465 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001002081923 746957969 /nfs/dbraw/zinc/95/79/69/746957969.db2.gz AQWMZCVNZMZUSP-WMLDXEAASA-N 1 3 348.491 0.245 20 0 ECADHO COc1cncc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)n1 ZINC000984810287 746966262 /nfs/dbraw/zinc/96/62/62/746966262.db2.gz VDGUPJASUCDLPX-IXYNUQLISA-N 1 3 347.463 0.667 20 0 ECADHO COc1cncc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)n1 ZINC000984810287 746966269 /nfs/dbraw/zinc/96/62/69/746966269.db2.gz VDGUPJASUCDLPX-IXYNUQLISA-N 1 3 347.463 0.667 20 0 ECADHO CN1CCC[C@H](N2[C@@H]3CC[C@H]2CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C3)C1=O ZINC001029552985 747451810 /nfs/dbraw/zinc/45/18/10/747451810.db2.gz HNIXYLMXGMHBTB-NXOAAHMSSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCC[C@H](N2[C@@H]3CC[C@H]2CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C3)C1=O ZINC001029552985 747451817 /nfs/dbraw/zinc/45/18/17/747451817.db2.gz HNIXYLMXGMHBTB-NXOAAHMSSA-N 1 3 348.491 0.624 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@H]2CCNC2=O)CC1 ZINC000985458635 748094318 /nfs/dbraw/zinc/09/43/18/748094318.db2.gz FHTDGBFOYFGAPP-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@H]2CCNC2=O)CC1 ZINC000985458635 748094324 /nfs/dbraw/zinc/09/43/24/748094324.db2.gz FHTDGBFOYFGAPP-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518778 748384129 /nfs/dbraw/zinc/38/41/29/748384129.db2.gz XQYWBRCXULPGRQ-HNNXBMFYSA-N 1 3 334.464 0.426 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC000985521393 748392247 /nfs/dbraw/zinc/39/22/47/748392247.db2.gz NLVJYGQDQNVNED-HOCLYGCPSA-N 1 3 338.496 0.903 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC000985521393 748392254 /nfs/dbraw/zinc/39/22/54/748392254.db2.gz NLVJYGQDQNVNED-HOCLYGCPSA-N 1 3 338.496 0.903 20 0 ECADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001003330760 748433108 /nfs/dbraw/zinc/43/31/08/748433108.db2.gz CNBYOFYTMXEQBX-GZZPIAKFSA-N 1 3 349.475 0.467 20 0 ECADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985551910 748470662 /nfs/dbraw/zinc/47/06/62/748470662.db2.gz BAHIQMPPXNSBDK-SJORKVTESA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC(N(C)[C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC000985599238 748712767 /nfs/dbraw/zinc/71/27/67/748712767.db2.gz MJJPPHNXZJGJOG-DZKIICNBSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC(N(C)[C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC000985599238 748712769 /nfs/dbraw/zinc/71/27/69/748712769.db2.gz MJJPPHNXZJGJOG-DZKIICNBSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCn2cncn2)C1)C1CC1 ZINC001088325832 748728338 /nfs/dbraw/zinc/72/83/38/748728338.db2.gz AAAMWHSJHFNFMK-IAGOWNOFSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)C1 ZINC001003632375 748745054 /nfs/dbraw/zinc/74/50/54/748745054.db2.gz ZDYYQWGHOOMBHD-ZBFHGGJFSA-N 1 3 346.479 0.688 20 0 ECADHO Cn1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC001029852233 748830976 /nfs/dbraw/zinc/83/09/76/748830976.db2.gz AVDCBYIFLUFRPD-OAHLLOKOSA-N 1 3 343.431 0.631 20 0 ECADHO Cn1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC001029852233 748830983 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CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985713266 748937285 /nfs/dbraw/zinc/93/72/85/748937285.db2.gz PWXNNZMONKDRNP-MRXNPFEDSA-N 1 3 338.496 0.905 20 0 ECADHO Cn1cc(CC[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000985786438 749097342 /nfs/dbraw/zinc/09/73/42/749097342.db2.gz CSGYGPSBSSVFNL-UHFFFAOYSA-N 1 3 333.480 0.981 20 0 ECADHO Cn1cc(CC[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000985786438 749097344 /nfs/dbraw/zinc/09/73/44/749097344.db2.gz CSGYGPSBSSVFNL-UHFFFAOYSA-N 1 3 333.480 0.981 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001051342177 761920572 /nfs/dbraw/zinc/92/05/72/761920572.db2.gz QJQCLPCYHGDGLY-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC000980172584 749121050 /nfs/dbraw/zinc/12/10/50/749121050.db2.gz XVGFRWRJQUIAFY-SOUVJXGZSA-N 1 3 336.480 0.420 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC000980172584 749121052 /nfs/dbraw/zinc/12/10/52/749121052.db2.gz XVGFRWRJQUIAFY-SOUVJXGZSA-N 1 3 336.480 0.420 20 0 ECADHO COc1cncc(CNCC2(CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001168138709 749537860 /nfs/dbraw/zinc/53/78/60/749537860.db2.gz VJXPPYLDPUXDLM-CQSZACIVSA-N 1 3 347.463 0.813 20 0 ECADHO COc1cncc(CNCC2(CCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001168138709 749537866 /nfs/dbraw/zinc/53/78/66/749537866.db2.gz VJXPPYLDPUXDLM-CQSZACIVSA-N 1 3 347.463 0.813 20 0 ECADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(=O)NC)CC1)N(C)C ZINC001004547110 749608853 /nfs/dbraw/zinc/60/88/53/749608853.db2.gz LJOTVVFQPVXATC-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC(=O)NC)CC1)N(C)C ZINC001004547110 749608857 /nfs/dbraw/zinc/60/88/57/749608857.db2.gz LJOTVVFQPVXATC-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004578183 749652290 /nfs/dbraw/zinc/65/22/90/749652290.db2.gz IICNOYZHUDHAKC-MRXNPFEDSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C)C(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004578183 749652291 /nfs/dbraw/zinc/65/22/91/749652291.db2.gz IICNOYZHUDHAKC-MRXNPFEDSA-N 1 3 347.463 0.743 20 0 ECADHO C[C@H]1C[C@@H](CNCc2nncn2C)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000980700762 749983557 /nfs/dbraw/zinc/98/35/57/749983557.db2.gz SNTRKQSBYPHMRU-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[C@@H](CNCc2nncn2C)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000980700762 749983559 /nfs/dbraw/zinc/98/35/59/749983559.db2.gz SNTRKQSBYPHMRU-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001029973725 750167812 /nfs/dbraw/zinc/16/78/12/750167812.db2.gz LWOJDBOCMKUYHT-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001029973725 750167815 /nfs/dbraw/zinc/16/78/15/750167815.db2.gz LWOJDBOCMKUYHT-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001029973726 750168109 /nfs/dbraw/zinc/16/81/09/750168109.db2.gz LWOJDBOCMKUYHT-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001029973726 750168114 /nfs/dbraw/zinc/16/81/14/750168114.db2.gz LWOJDBOCMKUYHT-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCc2ccnn2C)CC1 ZINC001005185129 750342346 /nfs/dbraw/zinc/34/23/46/750342346.db2.gz QOZPHYPNXZDLHB-QGZVFWFLSA-N 1 3 333.480 0.980 20 0 ECADHO C[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005742706 750581387 /nfs/dbraw/zinc/58/13/87/750581387.db2.gz SXHOYJKMBAZZHN-DFFOAJLQSA-N 1 3 337.464 0.153 20 0 ECADHO Cc1nnc(CN[C@@H]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC000981462691 750718285 /nfs/dbraw/zinc/71/82/85/750718285.db2.gz YNZUTRCBKIUJPY-ZIAGYGMSSA-N 1 3 332.452 0.726 20 0 ECADHO COC[C@@H](C)N1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646703 750930404 /nfs/dbraw/zinc/93/04/04/750930404.db2.gz RYIPAOLIBRGGNR-JBCIKUTRSA-N 1 3 337.464 0.419 20 0 ECADHO COC[C@@H](C)N1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646703 750930407 /nfs/dbraw/zinc/93/04/07/750930407.db2.gz RYIPAOLIBRGGNR-JBCIKUTRSA-N 1 3 337.464 0.419 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)n1 ZINC000987523462 750941498 /nfs/dbraw/zinc/94/14/98/750941498.db2.gz JPQYZLXVAKLISZ-CZUORRHYSA-N 1 3 334.468 0.570 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C[C@@H]2CCc3ncnn32)CC1 ZINC001028118413 751008922 /nfs/dbraw/zinc/00/89/22/751008922.db2.gz ZDHAUGKMJNHFMA-CVEARBPZSA-N 1 3 346.479 0.688 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCN(CCn2cncn2)CC1 ZINC001006291630 751207181 /nfs/dbraw/zinc/20/71/81/751207181.db2.gz CVNHFPBXYAMJOS-HNNXBMFYSA-N 1 3 334.468 0.543 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCN(CCn2cncn2)CC1 ZINC001006291630 751207186 /nfs/dbraw/zinc/20/71/86/751207186.db2.gz CVNHFPBXYAMJOS-HNNXBMFYSA-N 1 3 334.468 0.543 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CCN(CCN2CCCC2=O)CC1 ZINC001006300344 751217949 /nfs/dbraw/zinc/21/79/49/751217949.db2.gz UQNHYVHXKXFSQN-UHFFFAOYSA-N 1 3 348.491 0.627 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001021093782 752534519 /nfs/dbraw/zinc/53/45/19/752534519.db2.gz HXYOPFXSGDBIEL-JYJNAYRXSA-N 1 3 336.480 0.720 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000938091820 753173517 /nfs/dbraw/zinc/17/35/17/753173517.db2.gz DNZPYOMPICGGQL-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1CCCN1C ZINC000989063073 753200595 /nfs/dbraw/zinc/20/05/95/753200595.db2.gz ROGRXSITQZTNIK-ILXRZTDVSA-N 1 3 334.464 0.282 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC001008164711 753398733 /nfs/dbraw/zinc/39/87/33/753398733.db2.gz VHTLEOZNENQITO-GXTWGEPZSA-N 1 3 333.436 0.257 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC001008164711 753398737 /nfs/dbraw/zinc/39/87/37/753398737.db2.gz VHTLEOZNENQITO-GXTWGEPZSA-N 1 3 333.436 0.257 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000989489050 754029629 /nfs/dbraw/zinc/02/96/29/754029629.db2.gz WFIYZGXZZLGOPX-DOMZBBRYSA-N 1 3 329.404 0.430 20 0 ECADHO Cc1ncc(CN[C@H]2C[C@@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000989682218 754301546 /nfs/dbraw/zinc/30/15/46/754301546.db2.gz HRTLSZFMKJCSJG-CJNGLKHVSA-N 1 3 329.448 0.960 20 0 ECADHO O=C(C[N@@H+]1CC[C@H](CNC(=O)c2ccn3cncc3c2)C1)NC1CC1 ZINC001028662205 754401726 /nfs/dbraw/zinc/40/17/26/754401726.db2.gz VBAGOOKDVIAMAV-CYBMUJFWSA-N 1 3 341.415 0.665 20 0 ECADHO O=C(C[N@H+]1CC[C@H](CNC(=O)c2ccn3cncc3c2)C1)NC1CC1 ZINC001028662205 754401732 /nfs/dbraw/zinc/40/17/32/754401732.db2.gz VBAGOOKDVIAMAV-CYBMUJFWSA-N 1 3 341.415 0.665 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001168335496 754629025 /nfs/dbraw/zinc/62/90/25/754629025.db2.gz KWXJXRJYENEXJV-CABCVRRESA-N 1 3 336.480 0.625 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC001168345317 754763651 /nfs/dbraw/zinc/76/36/51/754763651.db2.gz PETWHBCUACVYKM-AWEZNQCLSA-N 1 3 338.496 0.870 20 0 ECADHO CCN1CC[C@@H](N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778889 755085643 /nfs/dbraw/zinc/08/56/43/755085643.db2.gz NVDSRZZUWIYSMS-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO CC[C@H](C)CN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470506 755284710 /nfs/dbraw/zinc/28/47/10/755284710.db2.gz WXPJBFDQEIDWHR-IMJJTQAJSA-N 1 3 337.468 0.266 20 0 ECADHO C[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)CN1C(=O)CN1CCCC1 ZINC001010180733 755770041 /nfs/dbraw/zinc/77/00/41/755770041.db2.gz XBVDBFAZJPGSBI-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076243635 756273687 /nfs/dbraw/zinc/27/36/87/756273687.db2.gz AVIPXKNLDFKEDX-VBQJREDUSA-N 1 3 327.444 0.724 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076243635 756273690 /nfs/dbraw/zinc/27/36/90/756273690.db2.gz AVIPXKNLDFKEDX-VBQJREDUSA-N 1 3 327.444 0.724 20 0 ECADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112110131 762466547 /nfs/dbraw/zinc/46/65/47/762466547.db2.gz AAIPOQFYHNFHEZ-GRYCIOLGSA-N 1 3 343.365 0.638 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001076587901 756692790 /nfs/dbraw/zinc/69/27/90/756692790.db2.gz GNSQPQSDLWLVCS-LSDHHAIUSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001076587901 756692792 /nfs/dbraw/zinc/69/27/92/756692792.db2.gz GNSQPQSDLWLVCS-LSDHHAIUSA-N 1 3 338.496 0.681 20 0 ECADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076588226 756693746 /nfs/dbraw/zinc/69/37/46/756693746.db2.gz OGTGZYBAFMQWFH-UONOGXRCSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076588226 756693749 /nfs/dbraw/zinc/69/37/49/756693749.db2.gz OGTGZYBAFMQWFH-UONOGXRCSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)CN1CCCC1)[NH+](C)C ZINC001076595331 756705168 /nfs/dbraw/zinc/70/51/68/756705168.db2.gz KXVIOTZGLCVFHX-GOEBONIOSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)N(C)C ZINC001011130836 756986698 /nfs/dbraw/zinc/98/66/98/756986698.db2.gz YSUUZQKFQNKWHE-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)C1CCC1 ZINC001011178088 757129805 /nfs/dbraw/zinc/12/98/05/757129805.db2.gz LNXIRAUIMFMUMI-KRWDZBQOSA-N 1 3 348.491 0.483 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@H]2C1 ZINC001048849843 757179356 /nfs/dbraw/zinc/17/93/56/757179356.db2.gz UMYSSIQZRIVPKJ-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@H]2C1 ZINC001048849843 757179363 /nfs/dbraw/zinc/17/93/63/757179363.db2.gz UMYSSIQZRIVPKJ-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1)C1CC1 ZINC001048863498 757217490 /nfs/dbraw/zinc/21/74/90/757217490.db2.gz DPGDIZKHJPIOMF-BBWFWOEESA-N 1 3 331.464 0.614 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1)C1CC1 ZINC001048863498 757217499 /nfs/dbraw/zinc/21/74/99/757217499.db2.gz DPGDIZKHJPIOMF-BBWFWOEESA-N 1 3 331.464 0.614 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N2CCCC2)C1 ZINC001021459319 757474134 /nfs/dbraw/zinc/47/41/34/757474134.db2.gz FULUVYYLWJZIIQ-XYTVBORESA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N2CCCC2)C1 ZINC001021459319 757474138 /nfs/dbraw/zinc/47/41/38/757474138.db2.gz FULUVYYLWJZIIQ-XYTVBORESA-N 1 3 348.491 0.672 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001048943422 757478142 /nfs/dbraw/zinc/47/81/42/757478142.db2.gz CJXKAVWXGDFRHE-OWQJAQGESA-N 1 3 337.439 0.599 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001048943422 757478144 /nfs/dbraw/zinc/47/81/44/757478144.db2.gz CJXKAVWXGDFRHE-OWQJAQGESA-N 1 3 337.439 0.599 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001011321870 757511519 /nfs/dbraw/zinc/51/15/19/757511519.db2.gz ZENQVXCUSLJAHR-HZPDHXFCSA-N 1 3 345.447 0.640 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001011321870 757511529 /nfs/dbraw/zinc/51/15/29/757511529.db2.gz ZENQVXCUSLJAHR-HZPDHXFCSA-N 1 3 345.447 0.640 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001011321871 757512124 /nfs/dbraw/zinc/51/21/24/757512124.db2.gz ZENQVXCUSLJAHR-JKSUJKDBSA-N 1 3 345.447 0.640 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001011321871 757512128 /nfs/dbraw/zinc/51/21/28/757512128.db2.gz ZENQVXCUSLJAHR-JKSUJKDBSA-N 1 3 345.447 0.640 20 0 ECADHO CC1CCN(CC(=O)N2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000996442920 757612863 /nfs/dbraw/zinc/61/28/63/757612863.db2.gz QAAIXWJTXDRJGE-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000996442920 757612867 /nfs/dbraw/zinc/61/28/67/757612867.db2.gz QAAIXWJTXDRJGE-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H](C1CC1)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001076956697 757745885 /nfs/dbraw/zinc/74/58/85/757745885.db2.gz UAYHVHBGYVMLTC-DZGCQCFKSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001049039847 757759680 /nfs/dbraw/zinc/75/96/80/757759680.db2.gz UQHIZJHMXOLFOX-XUWVNRHRSA-N 1 3 336.480 0.241 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001049039847 757759690 /nfs/dbraw/zinc/75/96/90/757759690.db2.gz UQHIZJHMXOLFOX-XUWVNRHRSA-N 1 3 336.480 0.241 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2C1 ZINC001049056846 757799798 /nfs/dbraw/zinc/79/97/98/757799798.db2.gz BLYRSAISSAYQCL-ZACQAIPSSA-N 1 3 345.491 0.837 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2C1 ZINC001049056846 757799807 /nfs/dbraw/zinc/79/98/07/757799807.db2.gz BLYRSAISSAYQCL-ZACQAIPSSA-N 1 3 345.491 0.837 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1 ZINC001049057335 757804195 /nfs/dbraw/zinc/80/41/95/757804195.db2.gz OJVGGCGSROOZAP-MWDXBVQZSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1 ZINC001049057335 757804207 /nfs/dbraw/zinc/80/42/07/757804207.db2.gz OJVGGCGSROOZAP-MWDXBVQZSA-N 1 3 348.491 0.482 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001076972284 757806704 /nfs/dbraw/zinc/80/67/04/757806704.db2.gz KQISCVCJSCOOCB-HOCLYGCPSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@H]3C2)C1 ZINC001049058617 757815712 /nfs/dbraw/zinc/81/57/12/757815712.db2.gz GWAOKZKAOBPDDE-NXHRZFHOSA-N 1 3 345.491 0.695 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCc4cnn(C)c4)C[C@@H]3C2)C1 ZINC001049058617 757815724 /nfs/dbraw/zinc/81/57/24/757815724.db2.gz GWAOKZKAOBPDDE-NXHRZFHOSA-N 1 3 345.491 0.695 20 0 ECADHO C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@H]2C1 ZINC001049059270 757820486 /nfs/dbraw/zinc/82/04/86/757820486.db2.gz PGMNKUCMCLAJRP-AFIMGQEJSA-N 1 3 341.471 0.970 20 0 ECADHO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@H]2C1 ZINC001049059270 757820504 /nfs/dbraw/zinc/82/05/04/757820504.db2.gz PGMNKUCMCLAJRP-AFIMGQEJSA-N 1 3 341.471 0.970 20 0 ECADHO C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@H]2C1 ZINC001049059273 757822288 /nfs/dbraw/zinc/82/22/88/757822288.db2.gz PGMNKUCMCLAJRP-ZXFNITATSA-N 1 3 341.471 0.970 20 0 ECADHO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@H]2C1 ZINC001049059273 757822296 /nfs/dbraw/zinc/82/22/96/757822296.db2.gz PGMNKUCMCLAJRP-ZXFNITATSA-N 1 3 341.471 0.970 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@@H]2C1 ZINC001049060139 757829959 /nfs/dbraw/zinc/82/99/59/757829959.db2.gz NEXYRECKDKXZLA-NKGKWGDASA-N 1 3 345.491 0.816 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@@H]2C1 ZINC001049060139 757829968 /nfs/dbraw/zinc/82/99/68/757829968.db2.gz NEXYRECKDKXZLA-NKGKWGDASA-N 1 3 345.491 0.816 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CCO2)cn1 ZINC001051654862 762604796 /nfs/dbraw/zinc/60/47/96/762604796.db2.gz VYSSPWFYWUKSJJ-DLBZAZTESA-N 1 3 347.463 0.442 20 0 ECADHO CN(C(=O)CN1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)C1CC1 ZINC001049173354 758216400 /nfs/dbraw/zinc/21/64/00/758216400.db2.gz UFSXSWPGUIIOGS-GASCZTMLSA-N 1 3 346.475 0.093 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(=O)N3CCCC3)C(C)(C)C2)C1 ZINC000996610983 758220212 /nfs/dbraw/zinc/22/02/12/758220212.db2.gz LXDKIHJQYFCCOA-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(=O)N3CCCC3)C(C)(C)C2)C1 ZINC000996610983 758220221 /nfs/dbraw/zinc/22/02/21/758220221.db2.gz LXDKIHJQYFCCOA-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996618851 758257085 /nfs/dbraw/zinc/25/70/85/758257085.db2.gz GHPVLTKYTYPCJE-JKSUJKDBSA-N 1 3 347.463 0.364 20 0 ECADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996618851 758257093 /nfs/dbraw/zinc/25/70/93/758257093.db2.gz GHPVLTKYTYPCJE-JKSUJKDBSA-N 1 3 347.463 0.364 20 0 ECADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC001022089005 758259968 /nfs/dbraw/zinc/25/99/68/758259968.db2.gz CQSYVYSUPKZUAY-HLLBOEOZSA-N 1 3 329.448 0.864 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)o1 ZINC001022119434 758301441 /nfs/dbraw/zinc/30/14/41/758301441.db2.gz GBAWLDGVIRMZMO-QSJFSLAZSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)o1 ZINC001022119434 758301453 /nfs/dbraw/zinc/30/14/53/758301453.db2.gz GBAWLDGVIRMZMO-QSJFSLAZSA-N 1 3 348.447 0.891 20 0 ECADHO COc1cc(CN2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)ccn1 ZINC001049212557 758324946 /nfs/dbraw/zinc/32/49/46/758324946.db2.gz CFUUGHVFAOYKCC-YESZJQIVSA-N 1 3 344.459 0.932 20 0 ECADHO COc1cc(CN2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)ccn1 ZINC001049212557 758324955 /nfs/dbraw/zinc/32/49/55/758324955.db2.gz CFUUGHVFAOYKCC-YESZJQIVSA-N 1 3 344.459 0.932 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001051660789 762619849 /nfs/dbraw/zinc/61/98/49/762619849.db2.gz DQVGQVHDFYLTLO-WBVHZDCISA-N 1 3 349.479 0.612 20 0 ECADHO Cn1cncc1CNC[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001051660789 762619854 /nfs/dbraw/zinc/61/98/54/762619854.db2.gz DQVGQVHDFYLTLO-WBVHZDCISA-N 1 3 349.479 0.612 20 0 ECADHO CC[C@H](N[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C)C(N)=O ZINC000996668467 758403599 /nfs/dbraw/zinc/40/35/99/758403599.db2.gz DKSSIWWXHXOEBU-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1)C1CC1 ZINC000996677473 758448035 /nfs/dbraw/zinc/44/80/35/758448035.db2.gz KAYDTZFWQKCUKU-QGZVFWFLSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H](NC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)c1nncn1C ZINC000996680192 758455554 /nfs/dbraw/zinc/45/55/54/758455554.db2.gz UGTMAOXFYGUAMX-DOMZBBRYSA-N 1 3 334.468 0.797 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccn(C)c(=O)c2)CC1)N(C)C ZINC000996715137 758584476 /nfs/dbraw/zinc/58/44/76/758584476.db2.gz DMXWGGKRWOBMBY-MRXNPFEDSA-N 1 3 334.464 0.806 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022455362 758748000 /nfs/dbraw/zinc/74/80/00/758748000.db2.gz SJZXCQRSBIDIBH-VFCUDAIHSA-N 1 3 349.475 0.513 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001022534561 758852700 /nfs/dbraw/zinc/85/27/00/758852700.db2.gz WHAVSMBPBIAEKN-OKILXGFUSA-N 1 3 334.468 0.909 20 0 ECADHO COc1coc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1=O ZINC001022713956 759028718 /nfs/dbraw/zinc/02/87/18/759028718.db2.gz NWFAUZJOLDLLGE-MELADBBJSA-N 1 3 349.431 0.727 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)CC1 ZINC001022921794 759311964 /nfs/dbraw/zinc/31/19/64/759311964.db2.gz OKWWUJFYJBJXQN-GASCZTMLSA-N 1 3 334.468 0.672 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001107042333 759502798 /nfs/dbraw/zinc/50/27/98/759502798.db2.gz HZDYOFQDWSEOCN-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063718 759905190 /nfs/dbraw/zinc/90/51/90/759905190.db2.gz FPWOTUVARNZIIG-WBVHZDCISA-N 1 3 346.475 0.808 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001054296507 767904656 /nfs/dbraw/zinc/90/46/56/767904656.db2.gz XZINKSLOXLHUEY-QLFBSQMISA-N 1 3 334.468 0.686 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2ncnn2C)CC1 ZINC001050366184 760187074 /nfs/dbraw/zinc/18/70/74/760187074.db2.gz QKVKYYGOVRQCDS-FPCVCCKLSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2ncnn2C)CC1 ZINC001050366184 760187079 /nfs/dbraw/zinc/18/70/79/760187079.db2.gz QKVKYYGOVRQCDS-FPCVCCKLSA-N 1 3 348.495 0.777 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001048278566 760207474 /nfs/dbraw/zinc/20/74/74/760207474.db2.gz YUJMZFSHVABVQN-CABCVRRESA-N 1 3 348.495 0.966 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001050385459 760213113 /nfs/dbraw/zinc/21/31/13/760213113.db2.gz GZSBAUMKVRTVSF-SHTZXODSSA-N 1 3 346.479 0.676 20 0 ECADHO Cn1cc(CNC[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001050389744 760218178 /nfs/dbraw/zinc/21/81/78/760218178.db2.gz IJEGXKAFHPGRTF-RBSFLKMASA-N 1 3 334.468 0.531 20 0 ECADHO Cn1cc(CNC[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001050389744 760218187 /nfs/dbraw/zinc/21/81/87/760218187.db2.gz IJEGXKAFHPGRTF-RBSFLKMASA-N 1 3 334.468 0.531 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911163323 760224211 /nfs/dbraw/zinc/22/42/11/760224211.db2.gz VZSWAUQSBJJAIT-IIDMSEBBSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CNCc1cn(C)nn1 ZINC001048305396 760265016 /nfs/dbraw/zinc/26/50/16/760265016.db2.gz SPYURKLVYJRPMJ-CABCVRRESA-N 1 3 346.479 0.628 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCN(C)C1=O)CC2 ZINC001050462057 760303458 /nfs/dbraw/zinc/30/34/58/760303458.db2.gz OJCJOLDIUNTMAG-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cn1 ZINC001048398423 760440149 /nfs/dbraw/zinc/44/01/49/760440149.db2.gz QISQZKNLJJTYGC-SWLSCSKDSA-N 1 3 328.420 0.935 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2)[NH+](C)C ZINC001050554497 760485718 /nfs/dbraw/zinc/48/57/18/760485718.db2.gz XQOJPZVOEXNECE-CABCVRRESA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNCc1cnns1 ZINC001048442582 760537262 /nfs/dbraw/zinc/53/72/62/760537262.db2.gz WBUYITUFBBMMKQ-CHWSQXEVSA-N 1 3 335.477 0.818 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNCc1ccn(C)n1 ZINC001048442156 760538067 /nfs/dbraw/zinc/53/80/67/760538067.db2.gz ULXAYXJXZXGCOO-HUUCEWRRSA-N 1 3 331.464 0.700 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050661657 760636226 /nfs/dbraw/zinc/63/62/26/760636226.db2.gz AEWITECJBPLCPC-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050661657 760636229 /nfs/dbraw/zinc/63/62/29/760636229.db2.gz AEWITECJBPLCPC-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCN(C)C2=O)CC3)C1 ZINC001050661841 760636972 /nfs/dbraw/zinc/63/69/72/760636972.db2.gz DISLCKMUVQSBNC-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCN(C)C2=O)CC3)C1 ZINC001050661841 760636975 /nfs/dbraw/zinc/63/69/75/760636975.db2.gz DISLCKMUVQSBNC-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048525361 760662391 /nfs/dbraw/zinc/66/23/91/760662391.db2.gz DJNLHUJNNOTFLB-XLNGHYISSA-N 1 3 348.491 0.433 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCc1cccnc1 ZINC001127065908 760665019 /nfs/dbraw/zinc/66/50/19/760665019.db2.gz HENCRSSFKACXRE-INIZCTEOSA-N 1 3 347.463 0.276 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCc1cccnc1 ZINC001127065908 760665024 /nfs/dbraw/zinc/66/50/24/760665024.db2.gz HENCRSSFKACXRE-INIZCTEOSA-N 1 3 347.463 0.276 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CC3(C2)CCN([C@H]2CCNC2=O)CC3)CC1 ZINC001050687961 760669888 /nfs/dbraw/zinc/66/98/88/760669888.db2.gz UQLLNEWZMRRNBU-INIZCTEOSA-N 1 3 348.491 0.531 20 0 ECADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066783 760706601 /nfs/dbraw/zinc/70/66/01/760706601.db2.gz SEGGZCUBPGZPCZ-GJZGRUSLSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066783 760706607 /nfs/dbraw/zinc/70/66/07/760706607.db2.gz SEGGZCUBPGZPCZ-GJZGRUSLSA-N 1 3 326.485 0.726 20 0 ECADHO CN1CC[C@@H](N2CCC3(CN(C(=O)C[C@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050729777 760743860 /nfs/dbraw/zinc/74/38/60/760743860.db2.gz BNGBHTUZTAFTSQ-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CC[C@@H](N2CCC3(CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050729777 760743867 /nfs/dbraw/zinc/74/38/67/760743867.db2.gz BNGBHTUZTAFTSQ-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO Cn1cnnc1CNC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001048624571 760809053 /nfs/dbraw/zinc/80/90/53/760809053.db2.gz VLFJKFCPWHXGAE-BZUAXINKSA-N 1 3 348.495 0.779 20 0 ECADHO Cn1cnnc1CNC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001048624571 760809059 /nfs/dbraw/zinc/80/90/59/760809059.db2.gz VLFJKFCPWHXGAE-BZUAXINKSA-N 1 3 348.495 0.779 20 0 ECADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082180 761016577 /nfs/dbraw/zinc/01/65/77/761016577.db2.gz LTSKHSACADAJTF-HUUCEWRRSA-N 1 3 326.485 0.870 20 0 ECADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082180 761016589 /nfs/dbraw/zinc/01/65/89/761016589.db2.gz LTSKHSACADAJTF-HUUCEWRRSA-N 1 3 326.485 0.870 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]2C1 ZINC001048724398 761046821 /nfs/dbraw/zinc/04/68/21/761046821.db2.gz ZCHVWPPVGJBTQQ-BARDWOONSA-N 1 3 343.418 0.895 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]2C1 ZINC001048724398 761046832 /nfs/dbraw/zinc/04/68/32/761046832.db2.gz ZCHVWPPVGJBTQQ-BARDWOONSA-N 1 3 343.418 0.895 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001017464650 768013180 /nfs/dbraw/zinc/01/31/80/768013180.db2.gz JUKXPMVJGRSZDI-NVXWUHKLSA-N 1 3 348.491 0.697 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001017464650 768013188 /nfs/dbraw/zinc/01/31/88/768013188.db2.gz JUKXPMVJGRSZDI-NVXWUHKLSA-N 1 3 348.491 0.697 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991478291 761132573 /nfs/dbraw/zinc/13/25/73/761132573.db2.gz KINQFWXKSRMRMO-HZPDHXFCSA-N 1 3 338.496 0.772 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000991478291 761132576 /nfs/dbraw/zinc/13/25/76/761132576.db2.gz KINQFWXKSRMRMO-HZPDHXFCSA-N 1 3 338.496 0.772 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000991541028 761471303 /nfs/dbraw/zinc/47/13/03/761471303.db2.gz TZEAMWDDMHFAMX-DOMZBBRYSA-N 1 3 331.420 0.154 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000991541028 761471309 /nfs/dbraw/zinc/47/13/09/761471309.db2.gz TZEAMWDDMHFAMX-DOMZBBRYSA-N 1 3 331.420 0.154 20 0 ECADHO Cn1nccc1CCN1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014461106 762717134 /nfs/dbraw/zinc/71/71/34/762717134.db2.gz ZMMAVSSAZIYHKQ-DOTOQJQBSA-N 1 3 331.464 0.495 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CC3CCOCC3)C2)C1 ZINC001051823648 763047715 /nfs/dbraw/zinc/04/77/15/763047715.db2.gz CCEVHBDYCUOYCQ-WBVHZDCISA-N 1 3 339.480 0.572 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC001051824885 763052813 /nfs/dbraw/zinc/05/28/13/763052813.db2.gz OSXFTVKGDPJXHM-RDJZCZTQSA-N 1 3 332.448 0.883 20 0 ECADHO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CCO1 ZINC001051825804 763058826 /nfs/dbraw/zinc/05/88/26/763058826.db2.gz WEKFTTFEBZKPOI-MRXNPFEDSA-N 1 3 349.479 0.469 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051901706 763274208 /nfs/dbraw/zinc/27/42/08/763274208.db2.gz LWLXZFJBOCZYGA-HOCLYGCPSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051901706 763274215 /nfs/dbraw/zinc/27/42/15/763274215.db2.gz LWLXZFJBOCZYGA-HOCLYGCPSA-N 1 3 335.452 0.079 20 0 ECADHO Cc1nc([C@@H](C)NC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n[nH]1 ZINC001051904593 763290152 /nfs/dbraw/zinc/29/01/52/763290152.db2.gz RILOVWUDMVNCSA-TZMCWYRMSA-N 1 3 348.451 0.087 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001051943506 763409854 /nfs/dbraw/zinc/40/98/54/763409854.db2.gz MMLWLQBTQRCZKK-SJORKVTESA-N 1 3 349.479 0.612 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1C ZINC001127700709 763594915 /nfs/dbraw/zinc/59/49/15/763594915.db2.gz BGMDYMFFNAVVIN-RRFJBIMHSA-N 1 3 338.496 0.822 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)CC[N@H+]1C ZINC001127700709 763594927 /nfs/dbraw/zinc/59/49/27/763594927.db2.gz BGMDYMFFNAVVIN-RRFJBIMHSA-N 1 3 338.496 0.822 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1)N(C)C ZINC000995148040 763745613 /nfs/dbraw/zinc/74/56/13/763745613.db2.gz OUCHJFHXYCFWAT-HZPDHXFCSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1)N(C)C ZINC000995148040 763745615 /nfs/dbraw/zinc/74/56/15/763745615.db2.gz OUCHJFHXYCFWAT-HZPDHXFCSA-N 1 3 338.496 0.774 20 0 ECADHO Cn1ccnc1CNC[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169885 763858222 /nfs/dbraw/zinc/85/82/22/763858222.db2.gz VROUMAOTFOFBBL-GJZGRUSLSA-N 1 3 331.464 0.890 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000991853955 764050440 /nfs/dbraw/zinc/05/04/40/764050440.db2.gz SVQWVBBCWMHQEL-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000991853955 764050444 /nfs/dbraw/zinc/05/04/44/764050444.db2.gz SVQWVBBCWMHQEL-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC001054736779 768210456 /nfs/dbraw/zinc/21/04/56/768210456.db2.gz NUDNINQUENACTH-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000991891057 764404782 /nfs/dbraw/zinc/40/47/82/764404782.db2.gz SRLHTCMDUIIHRH-CVEARBPZSA-N 1 3 336.480 0.241 20 0 ECADHO CN1CC[C@H](N2CCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)CC2)C1=O ZINC001052527585 764696753 /nfs/dbraw/zinc/69/67/53/764696753.db2.gz FNZNDVVLEBIVIF-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001047598380 764833534 /nfs/dbraw/zinc/83/35/34/764833534.db2.gz JSCPKNPATXZVBG-PMPSAXMXSA-N 1 3 337.464 0.155 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000992009928 765144285 /nfs/dbraw/zinc/14/42/85/765144285.db2.gz OKLDRALOWCSXAD-HUUCEWRRSA-N 1 3 331.420 0.296 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000992009928 765144292 /nfs/dbraw/zinc/14/42/92/765144292.db2.gz OKLDRALOWCSXAD-HUUCEWRRSA-N 1 3 331.420 0.296 20 0 ECADHO C[C@H](F)CCN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826192 765389338 /nfs/dbraw/zinc/38/93/38/765389338.db2.gz BUVDLCKHCLWHJV-DZGCQCFKSA-N 1 3 325.432 0.997 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(CCCN3CCCC3=O)C2)C1 ZINC001015997365 765690368 /nfs/dbraw/zinc/69/03/68/765690368.db2.gz BEUITQSDAXPOKD-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(CCCN3CCCC3=O)C2)C1 ZINC001015997365 765690371 /nfs/dbraw/zinc/69/03/71/765690371.db2.gz BEUITQSDAXPOKD-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001077497628 765698922 /nfs/dbraw/zinc/69/89/22/765698922.db2.gz WRZBZUNRZGDVIQ-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001077497628 765698927 /nfs/dbraw/zinc/69/89/27/765698927.db2.gz WRZBZUNRZGDVIQ-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001053290768 765918258 /nfs/dbraw/zinc/91/82/58/765918258.db2.gz VZIKNYFRDBNLMJ-ZFWWWQNUSA-N 1 3 349.479 0.813 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001077506336 765937690 /nfs/dbraw/zinc/93/76/90/765937690.db2.gz QZVCMCHWJIOWJP-GJZGRUSLSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@H](C1CC1)N(C)C ZINC001077507790 765981876 /nfs/dbraw/zinc/98/18/76/765981876.db2.gz XKNNMHYEFOYXDH-ZFWWWQNUSA-N 1 3 336.480 0.433 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001053437528 766133340 /nfs/dbraw/zinc/13/33/40/766133340.db2.gz QOCDTYGDJYNWLW-CVEARBPZSA-N 1 3 340.512 0.881 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001053437528 766133341 /nfs/dbraw/zinc/13/33/41/766133341.db2.gz QOCDTYGDJYNWLW-CVEARBPZSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001053502831 766246173 /nfs/dbraw/zinc/24/61/73/766246173.db2.gz DNNAFQKKCRASMW-ZIAGYGMSSA-N 1 3 335.452 0.505 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001053503424 766249098 /nfs/dbraw/zinc/24/90/98/766249098.db2.gz LDNCCVLSCSLJOS-CABCVRRESA-N 1 3 349.479 0.895 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)NC2CC(N(C)C(=O)CN3CCCC3)C2)C1 ZINC001016531232 766447235 /nfs/dbraw/zinc/44/72/35/766447235.db2.gz NKKROPAZASKFNB-QQFBHYJXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(N(C)C(=O)CN3CCCC3)C2)C1 ZINC001016531232 766447237 /nfs/dbraw/zinc/44/72/37/766447237.db2.gz NKKROPAZASKFNB-QQFBHYJXSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256667 766729538 /nfs/dbraw/zinc/72/95/38/766729538.db2.gz QMMLAYZBTOUZOC-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256667 766729545 /nfs/dbraw/zinc/72/95/45/766729545.db2.gz QMMLAYZBTOUZOC-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000994841301 766927319 /nfs/dbraw/zinc/92/73/19/766927319.db2.gz BBFLOJMPQLYMSM-HNNXBMFYSA-N 1 3 348.491 0.531 20 0 ECADHO CO[C@H](C)CN1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326864 767149846 /nfs/dbraw/zinc/14/98/46/767149846.db2.gz XFTBODQLJYRHPR-RHSMWYFYSA-N 1 3 337.468 0.674 20 0 ECADHO O=C(N[C@@H]1CC12CCN([C@H]1CCCNC1=O)CC2)C12CC[NH+](CC1)C2 ZINC001016935875 767350478 /nfs/dbraw/zinc/35/04/78/767350478.db2.gz PVFYVWHZBYDVSL-LSDHHAIUSA-N 1 3 346.475 0.332 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc3oc(=O)n(C)c3c2)CC[N@@H+]1C ZINC001127644289 767396734 /nfs/dbraw/zinc/39/67/34/767396734.db2.gz YMWSGAODZYJNOA-TZMCWYRMSA-N 1 3 346.431 0.678 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc3oc(=O)n(C)c3c2)CC[N@H+]1C ZINC001127644289 767396742 /nfs/dbraw/zinc/39/67/42/767396742.db2.gz YMWSGAODZYJNOA-TZMCWYRMSA-N 1 3 346.431 0.678 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229145 767837508 /nfs/dbraw/zinc/83/75/08/767837508.db2.gz LIBLOPKBCYBMIU-MAUKXSAKSA-N 1 3 348.491 0.661 20 0 ECADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668222 768582930 /nfs/dbraw/zinc/58/29/30/768582930.db2.gz IMLWOLKRUBPQLW-BZUAXINKSA-N 1 3 341.496 0.410 20 0 ECADHO CCC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704963 768692980 /nfs/dbraw/zinc/69/29/80/768692980.db2.gz LAEDRDUUCTVQGD-RBSFLKMASA-N 1 3 349.479 0.941 20 0 ECADHO CCCC[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001106704826 768693040 /nfs/dbraw/zinc/69/30/40/768693040.db2.gz DJLIYEYVKWLLEG-UMVBOHGHSA-N 1 3 335.452 0.680 20 0 ECADHO CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C1CC1 ZINC001106704981 768693099 /nfs/dbraw/zinc/69/30/99/768693099.db2.gz LTPGDVBWTPONGV-ZIAGYGMSSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCOCC(F)F ZINC001106704849 768693326 /nfs/dbraw/zinc/69/33/26/768693326.db2.gz FNTIGWWNSRWGBB-VXGBXAGGSA-N 1 3 330.379 0.918 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1)C1CC1 ZINC001055374428 768827772 /nfs/dbraw/zinc/82/77/72/768827772.db2.gz IBOQEOXOICTDHY-HLLBOEOZSA-N 1 3 336.480 0.195 20 0 ECADHO Cc1csc(=O)n1CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001018635075 769686272 /nfs/dbraw/zinc/68/62/72/769686272.db2.gz MXOBFOMXLOPXCK-UONOGXRCSA-N 1 3 338.477 0.503 20 0 ECADHO C[NH+](C)Cc1ccccc1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993876858 769774665 /nfs/dbraw/zinc/77/46/65/769774665.db2.gz KCHTZFHTDZHPGT-UHFFFAOYSA-N 1 3 344.459 0.785 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000993879186 769777072 /nfs/dbraw/zinc/77/70/72/769777072.db2.gz LLTYUMNXUWFBEW-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000993879186 769777081 /nfs/dbraw/zinc/77/70/81/769777081.db2.gz LLTYUMNXUWFBEW-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cccc(C(N)=O)c3)C2)CC[N@@H+]1C ZINC001018865030 770133736 /nfs/dbraw/zinc/13/37/36/770133736.db2.gz CXMRLWWCRKLBFT-XOKHGSTOSA-N 1 3 344.459 0.816 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cccc(C(N)=O)c3)C2)CC[N@H+]1C ZINC001018865030 770133743 /nfs/dbraw/zinc/13/37/43/770133743.db2.gz CXMRLWWCRKLBFT-XOKHGSTOSA-N 1 3 344.459 0.816 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001019034631 770613986 /nfs/dbraw/zinc/61/39/86/770613986.db2.gz JXJLGHKVEZGLPX-SOUVJXGZSA-N 1 3 345.509 0.342 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)C1)N(C)C ZINC001019034961 770614406 /nfs/dbraw/zinc/61/44/06/770614406.db2.gz UWNJLZHPAZZCQL-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N1CC[C@@H](N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001019087989 770755294 /nfs/dbraw/zinc/75/52/94/770755294.db2.gz IQOWDHUBCCEKGC-JKSUJKDBSA-N 1 3 348.491 0.815 20 0 ECADHO CN1CCC[C@H](N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001019088455 770757164 /nfs/dbraw/zinc/75/71/64/770757164.db2.gz UHCNNTRDILQBQX-GJZGRUSLSA-N 1 3 334.464 0.426 20 0 ECADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC001019290278 771108888 /nfs/dbraw/zinc/10/88/88/771108888.db2.gz YWWYSBJWUNQFOE-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001019290278 771108892 /nfs/dbraw/zinc/10/88/92/771108892.db2.gz YWWYSBJWUNQFOE-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO CN(CC(=O)N1CCCO[C@H](C[NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001078411520 782896387 /nfs/dbraw/zinc/89/63/87/782896387.db2.gz PCMMPXGQIIZCPH-QGZVFWFLSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1cc(CC[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cn1 ZINC001019386095 771235794 /nfs/dbraw/zinc/23/57/94/771235794.db2.gz CBBZNERKONNEON-INIZCTEOSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001019386161 771236375 /nfs/dbraw/zinc/23/63/75/771236375.db2.gz GBLWLLVYVCFQJM-HNNXBMFYSA-N 1 3 333.480 0.885 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC[NH+](C)C ZINC001056417466 771250223 /nfs/dbraw/zinc/25/02/23/771250223.db2.gz WZMBVEBHEJMVEM-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)N1CCCCC1 ZINC001127466513 771284475 /nfs/dbraw/zinc/28/44/75/771284475.db2.gz TXJVAOYZTYWUKZ-GOEBONIOSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475773 771309102 /nfs/dbraw/zinc/30/91/02/771309102.db2.gz YOWSWOBKJDJIRE-GDBMZVCRSA-N 1 3 336.480 0.435 20 0 ECADHO C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056534618 771362269 /nfs/dbraw/zinc/36/22/69/771362269.db2.gz ITFUBTQMDPXFKW-HOTGVXAUSA-N 1 3 347.463 0.886 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056549235 771374296 /nfs/dbraw/zinc/37/42/96/771374296.db2.gz XRPMOCGTLYVKKI-JYJNAYRXSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)CC[N@@H+]1C ZINC001089584308 771576744 /nfs/dbraw/zinc/57/67/44/771576744.db2.gz NLOGBXTVPYXJLB-KBRIMQKVSA-N 1 3 346.479 0.891 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)CC[N@H+]1C ZINC001089584308 771576746 /nfs/dbraw/zinc/57/67/46/771576746.db2.gz NLOGBXTVPYXJLB-KBRIMQKVSA-N 1 3 346.479 0.891 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001078460539 782987584 /nfs/dbraw/zinc/98/75/84/782987584.db2.gz VKGVTOYQJPRAGY-QGZVFWFLSA-N 1 3 349.479 0.469 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(OC)nn3)C2)CC[N@@H+]1C ZINC001020174712 772243453 /nfs/dbraw/zinc/24/34/53/772243453.db2.gz NVKOMFLRKZDTQR-YHUYYLMFSA-N 1 3 347.463 0.952 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(OC)nn3)C2)CC[N@H+]1C ZINC001020174712 772243458 /nfs/dbraw/zinc/24/34/58/772243458.db2.gz NVKOMFLRKZDTQR-YHUYYLMFSA-N 1 3 347.463 0.952 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccns2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020179364 772251657 /nfs/dbraw/zinc/25/16/57/772251657.db2.gz YIMOEUVVXJQSIT-RGCMKSIDSA-N 1 3 336.461 0.743 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccns2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001020179364 772251660 /nfs/dbraw/zinc/25/16/60/772251660.db2.gz YIMOEUVVXJQSIT-RGCMKSIDSA-N 1 3 336.461 0.743 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020238966 772334008 /nfs/dbraw/zinc/33/40/08/772334008.db2.gz JMEFOHLJNNETQD-RBSFLKMASA-N 1 3 334.468 0.815 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020238966 772334013 /nfs/dbraw/zinc/33/40/13/772334013.db2.gz JMEFOHLJNNETQD-RBSFLKMASA-N 1 3 334.468 0.815 20 0 ECADHO C[C@@H](CCNC(=O)C[N@@H+]1CCC[C@H]1C)NC(=O)CN(C)C1CCC1 ZINC001078467371 783004163 /nfs/dbraw/zinc/00/41/63/783004163.db2.gz AKSWPCSAISNYSZ-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@H]1C)NC(=O)CN(C)C1CCC1 ZINC001078467371 783004167 /nfs/dbraw/zinc/00/41/67/783004167.db2.gz AKSWPCSAISNYSZ-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406945 772550751 /nfs/dbraw/zinc/55/07/51/772550751.db2.gz GZCDADAEJUFTTR-AOKWIGRASA-N 1 3 335.448 0.123 20 0 ECADHO C[C@H]1C[C@H](NCc2ccn(C)n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825542 774654276 /nfs/dbraw/zinc/65/42/76/774654276.db2.gz UZAPTBYHWARBCL-LSDHHAIUSA-N 1 3 331.464 0.985 20 0 ECADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1)C1CCC1 ZINC001045070781 774931337 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/nfs/dbraw/zinc/01/25/08/778012508.db2.gz AHTIXCKRPLWUFT-GOEBONIOSA-N 1 3 336.480 0.624 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001080558170 778028830 /nfs/dbraw/zinc/02/88/30/778028830.db2.gz OEXTUCQNGFPVOV-GOEBONIOSA-N 1 3 338.496 0.585 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001080558170 778028837 /nfs/dbraw/zinc/02/88/37/778028837.db2.gz OEXTUCQNGFPVOV-GOEBONIOSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(C(=O)CN1CCC[C@H]1C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080558451 778029745 /nfs/dbraw/zinc/02/97/45/778029745.db2.gz UGWCQQNTCGSDTI-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)CN1CCC[C@H]1C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080558451 778029757 /nfs/dbraw/zinc/02/97/57/778029757.db2.gz UGWCQQNTCGSDTI-CABCVRRESA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC(C)(C)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001078481032 779954426 /nfs/dbraw/zinc/95/44/26/779954426.db2.gz IPSKZBGYKQTDEN-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC(C)(C)C1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001078481032 779954432 /nfs/dbraw/zinc/95/44/32/779954432.db2.gz IPSKZBGYKQTDEN-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 ZINC001041445646 781532941 /nfs/dbraw/zinc/53/29/41/781532941.db2.gz MCASRRQFYDTZLH-ACJLOTCBSA-N 1 3 341.415 0.746 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 ZINC001041445646 781532946 /nfs/dbraw/zinc/53/29/46/781532946.db2.gz MCASRRQFYDTZLH-ACJLOTCBSA-N 1 3 341.415 0.746 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001077756384 781649862 /nfs/dbraw/zinc/64/98/62/781649862.db2.gz IFOSBUBDVTZYFU-ARFHVFGLSA-N 1 3 338.496 0.964 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001077756384 781649868 /nfs/dbraw/zinc/64/98/68/781649868.db2.gz IFOSBUBDVTZYFU-ARFHVFGLSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1CC[C@@]2(CCN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001041606649 781839210 /nfs/dbraw/zinc/83/92/10/781839210.db2.gz SYKBJDHFEXMZBQ-SCLBCKFNSA-N 1 3 348.447 0.753 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001041606649 781839219 /nfs/dbraw/zinc/83/92/19/781839219.db2.gz SYKBJDHFEXMZBQ-SCLBCKFNSA-N 1 3 348.447 0.753 20 0 ECADHO CC1CCN(CC(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)CC1 ZINC001077893065 781890995 /nfs/dbraw/zinc/89/09/95/781890995.db2.gz XRLFSCJOTOXDDB-IAGOWNOFSA-N 1 3 339.480 0.449 20 0 ECADHO CC1CCN(CC(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)CC1 ZINC001077893065 781891008 /nfs/dbraw/zinc/89/10/08/781891008.db2.gz XRLFSCJOTOXDDB-IAGOWNOFSA-N 1 3 339.480 0.449 20 0 ECADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001070191769 783625254 /nfs/dbraw/zinc/62/52/54/783625254.db2.gz RBPDQOMKMJJYFZ-OAGGEKHMSA-N 1 3 334.468 0.901 20 0 ECADHO CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037848819 783640039 /nfs/dbraw/zinc/64/00/39/783640039.db2.gz CDKCZLCFKBVBNB-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070204740 783652880 /nfs/dbraw/zinc/65/28/80/783652880.db2.gz PCWHPWOHMNCHKM-IKGGRYGDSA-N 1 3 346.479 0.904 20 0 ECADHO CN(C)C1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)CCC1 ZINC001071061058 784499937 /nfs/dbraw/zinc/49/99/37/784499937.db2.gz LUHKJIFVURFUKG-CVEARBPZSA-N 1 3 339.480 0.449 20 0 ECADHO COCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(N(C)C)CCC1)C[C@@H](C)O2 ZINC001071176419 784665994 /nfs/dbraw/zinc/66/59/94/784665994.db2.gz VLNXVWNEIVWMMW-NVXWUHKLSA-N 1 3 339.480 0.809 20 0 ECADHO COCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(N(C)C)CCC1)C[C@@H](C)O2 ZINC001071176419 784665998 /nfs/dbraw/zinc/66/59/98/784665998.db2.gz VLNXVWNEIVWMMW-NVXWUHKLSA-N 1 3 339.480 0.809 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001071200289 784721459 /nfs/dbraw/zinc/72/14/59/784721459.db2.gz YIUBKAYCFGPMGG-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001070862961 784763461 /nfs/dbraw/zinc/76/34/61/784763461.db2.gz KOPXKVCTXVQSRH-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001072369508 786091574 /nfs/dbraw/zinc/09/15/74/786091574.db2.gz RAGJXDFLUQWING-ZFWWWQNUSA-N 1 3 330.436 0.960 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001072433441 786178597 /nfs/dbraw/zinc/17/85/97/786178597.db2.gz WIEWKQOMXPHTQY-HUUCEWRRSA-N 1 3 336.480 0.386 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001073741881 787099636 /nfs/dbraw/zinc/09/96/36/787099636.db2.gz YTAVECUKXXNSCT-HOTGVXAUSA-N 1 3 327.469 0.308 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001073741881 787099642 /nfs/dbraw/zinc/09/96/42/787099642.db2.gz YTAVECUKXXNSCT-HOTGVXAUSA-N 1 3 327.469 0.308 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCOC3CCC3)CCCO2)C1 ZINC001073890438 787448324 /nfs/dbraw/zinc/44/83/24/787448324.db2.gz CVNLLXKJGMERKS-NVXWUHKLSA-N 1 3 339.480 0.714 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCOC3CCC3)CCCO2)C1 ZINC001073890438 787448332 /nfs/dbraw/zinc/44/83/32/787448332.db2.gz CVNLLXKJGMERKS-NVXWUHKLSA-N 1 3 339.480 0.714 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)[C@@H]1C)N(C)C ZINC001074711000 787658693 /nfs/dbraw/zinc/65/86/93/787658693.db2.gz MPEIDDVPKQLZCS-YHUYYLMFSA-N 1 3 338.496 0.822 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)[C@@H]1C)N(C)C ZINC001074710998 787658832 /nfs/dbraw/zinc/65/88/32/787658832.db2.gz MPEIDDVPKQLZCS-XUWVNRHRSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001074018765 787691580 /nfs/dbraw/zinc/69/15/80/787691580.db2.gz GFCVRBQGVRKVLS-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001072621955 788451673 /nfs/dbraw/zinc/45/16/73/788451673.db2.gz ISJONQDXRZZHDZ-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001072621952 788452088 /nfs/dbraw/zinc/45/20/88/788452088.db2.gz ISJONQDXRZZHDZ-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001074882963 788484212 /nfs/dbraw/zinc/48/42/12/788484212.db2.gz ZHALIMRIIGHLSF-SOUVJXGZSA-N 1 3 336.480 0.576 20 0 ECADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001072679092 788577619 /nfs/dbraw/zinc/57/76/19/788577619.db2.gz DDIMNOUMQSJPOA-UONOGXRCSA-N 1 3 326.485 0.632 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001072741799 788688720 /nfs/dbraw/zinc/68/87/20/788688720.db2.gz JAODHOJAEVGOGS-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001072741799 788688723 /nfs/dbraw/zinc/68/87/23/788688723.db2.gz JAODHOJAEVGOGS-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCn2cncn2)C3)CC[N@@H+]1C ZINC001072752552 788719105 /nfs/dbraw/zinc/71/91/05/788719105.db2.gz PMJCMUMQPNBDRT-HUUCEWRRSA-N 1 3 332.452 0.153 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCn2cncn2)C3)CC[N@H+]1C ZINC001072752552 788719108 /nfs/dbraw/zinc/71/91/08/788719108.db2.gz PMJCMUMQPNBDRT-HUUCEWRRSA-N 1 3 332.452 0.153 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)CC[N@@H+]1C ZINC001072752219 788719831 /nfs/dbraw/zinc/71/98/31/788719831.db2.gz ABNLWWFQXOCYDJ-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)CC[N@H+]1C ZINC001072752219 788719835 /nfs/dbraw/zinc/71/98/35/788719835.db2.gz ABNLWWFQXOCYDJ-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072756200 788728632 /nfs/dbraw/zinc/72/86/32/788728632.db2.gz MSUZOEMWZFPDBM-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](N[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C)C(N)=O ZINC001075030827 788753967 /nfs/dbraw/zinc/75/39/67/788753967.db2.gz PXUWCAMRRRFFMQ-XEZPLFJOSA-N 1 3 336.480 0.561 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001075087985 788883477 /nfs/dbraw/zinc/88/34/77/788883477.db2.gz FJSDTGGQGOIVIB-TZMCWYRMSA-N 1 3 335.452 0.708 20 0 ECADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072827723 788904692 /nfs/dbraw/zinc/90/46/92/788904692.db2.gz WOHMGWYNCMVXNG-INIZCTEOSA-N 1 3 346.479 0.687 20 0 ECADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072827723 788904697 /nfs/dbraw/zinc/90/46/97/788904697.db2.gz WOHMGWYNCMVXNG-INIZCTEOSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001075156737 788996528 /nfs/dbraw/zinc/99/65/28/788996528.db2.gz ZELUHUBSFZXKJJ-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001075189479 789036134 /nfs/dbraw/zinc/03/61/34/789036134.db2.gz RXEBUZXTMCBYBL-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001075189479 789036146 /nfs/dbraw/zinc/03/61/46/789036146.db2.gz RXEBUZXTMCBYBL-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001075379260 789305345 /nfs/dbraw/zinc/30/53/45/789305345.db2.gz FSVZDFQPWQCLFA-DOTOQJQBSA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001075379260 789305354 /nfs/dbraw/zinc/30/53/54/789305354.db2.gz FSVZDFQPWQCLFA-DOTOQJQBSA-N 1 3 346.479 0.893 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CC3(C2)CCN(CCn2cncn2)C3)CC1 ZINC001073037097 789315543 /nfs/dbraw/zinc/31/55/43/789315543.db2.gz ZEYZGVQTBPFBRA-UHFFFAOYSA-N 1 3 346.479 0.544 20 0 ECADHO CC[C@@H](C(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001073039280 789323086 /nfs/dbraw/zinc/32/30/86/789323086.db2.gz ZOGCELSYWKAPHM-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001073039280 789323097 /nfs/dbraw/zinc/32/30/97/789323097.db2.gz ZOGCELSYWKAPHM-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001073093251 789430293 /nfs/dbraw/zinc/43/02/93/789430293.db2.gz OVRSRGDADOWPPA-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073093251 789430297 /nfs/dbraw/zinc/43/02/97/789430297.db2.gz OVRSRGDADOWPPA-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001073183798 789587810 /nfs/dbraw/zinc/58/78/10/789587810.db2.gz UITGDJWQWGUFJE-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CN(CCNCc1cnn(C)c1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001266883207 836431473 /nfs/dbraw/zinc/43/14/73/836431473.db2.gz WNSRDRHDMUTHTA-UHFFFAOYSA-N 1 3 333.440 0.040 20 0 ECADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266939774 836497730 /nfs/dbraw/zinc/49/77/30/836497730.db2.gz OHSRLOZPWHESRR-CHWSQXEVSA-N 1 3 338.452 0.150 20 0 ECADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)[C@H]1CCCN1C)[NH+]1CCCC1 ZINC001408594904 837123945 /nfs/dbraw/zinc/12/39/45/837123945.db2.gz JAXJCBJYYQLPDY-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CCNC(=O)[C@@H](C(C)C)N(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408774882 838394723 /nfs/dbraw/zinc/39/47/23/838394723.db2.gz IFFMUWIGHWEAJQ-HUUCEWRRSA-N 1 3 326.485 0.489 20 0 ECADHO CCN(CCNC(=O)[C@@H](C(C)C)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408774882 838394729 /nfs/dbraw/zinc/39/47/29/838394729.db2.gz IFFMUWIGHWEAJQ-HUUCEWRRSA-N 1 3 326.485 0.489 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001408842588 838632784 /nfs/dbraw/zinc/63/27/84/838632784.db2.gz LGTNCXZBYYMIIT-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](C(=O)NC1(C[NH2+][C@H]2CCC(=O)NC2=O)CCCC1)N(C)C ZINC001267839478 838635972 /nfs/dbraw/zinc/63/59/72/838635972.db2.gz SHTRJQUTVJWGIG-QWHCGFSZSA-N 1 3 338.452 0.150 20 0 ECADHO CSc1ccc([C@H](CNC(=O)N(CC[NH3+])CCO)N(C)C)cc1 ZINC000418239089 295679276 /nfs/dbraw/zinc/67/92/76/295679276.db2.gz YCZKEIKYEMFVDQ-HNNXBMFYSA-N 1 3 340.493 0.974 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@H]1C ZINC000354661652 299088603 /nfs/dbraw/zinc/08/86/03/299088603.db2.gz LURMGARVCMWDBG-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@H]1C ZINC000354661652 299088607 /nfs/dbraw/zinc/08/86/07/299088607.db2.gz LURMGARVCMWDBG-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCC1 ZINC000354663090 299089308 /nfs/dbraw/zinc/08/93/08/299089308.db2.gz UTVBAEUGQOFEAR-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000427903229 210230228 /nfs/dbraw/zinc/23/02/28/210230228.db2.gz HZVBVZXFJFXKLQ-DOTOQJQBSA-N 1 3 336.480 0.088 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000427903229 210230230 /nfs/dbraw/zinc/23/02/30/210230230.db2.gz HZVBVZXFJFXKLQ-DOTOQJQBSA-N 1 3 336.480 0.088 20 0 ECADHO C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000354700344 299100256 /nfs/dbraw/zinc/10/02/56/299100256.db2.gz ABOQVNJKSGPMEM-DOTOQJQBSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354787125 299127232 /nfs/dbraw/zinc/12/72/32/299127232.db2.gz KSPPXMMMPDXEAJ-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC2(CC[NH2+]C2)CC1 ZINC000431044175 295761980 /nfs/dbraw/zinc/76/19/80/295761980.db2.gz VADCTVAGJUXCOJ-JTQLQIEISA-N 1 3 336.358 0.839 20 0 ECADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423839599 209834837 /nfs/dbraw/zinc/83/48/37/209834837.db2.gz JEQOZZNYKFXGGP-HOCLYGCPSA-N 1 3 332.448 0.491 20 0 ECADHO CN(C)[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)Cc1ccccc1 ZINC000423311961 209724807 /nfs/dbraw/zinc/72/48/07/209724807.db2.gz UTMOOJNGCZLVGO-INIZCTEOSA-N 1 3 344.463 0.920 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355877054 299313212 /nfs/dbraw/zinc/31/32/12/299313212.db2.gz CLBCUBUCQCEQHO-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420207604 209342213 /nfs/dbraw/zinc/34/22/13/209342213.db2.gz QICXRYXMPDVGJH-CABCVRRESA-N 1 3 326.485 0.810 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000420152782 209324194 /nfs/dbraw/zinc/32/41/94/209324194.db2.gz ZJDWMNLJHSIEIV-HUUCEWRRSA-N 1 3 326.485 0.810 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000420152782 209324197 /nfs/dbraw/zinc/32/41/97/209324197.db2.gz ZJDWMNLJHSIEIV-HUUCEWRRSA-N 1 3 326.485 0.810 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC000419020975 296024981 /nfs/dbraw/zinc/02/49/81/296024981.db2.gz AKTHWWKXHDVEJU-RBSFLKMASA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000420030895 209283674 /nfs/dbraw/zinc/28/36/74/209283674.db2.gz QJAMIWCHYOKMEH-HNNXBMFYSA-N 1 3 334.464 0.473 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000420010777 209275616 /nfs/dbraw/zinc/27/56/16/209275616.db2.gz YASAXSWJCDROKV-HNNXBMFYSA-N 1 3 346.475 0.963 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419991044 209270806 /nfs/dbraw/zinc/27/08/06/209270806.db2.gz DAQPHKDAZSBJFX-HNNXBMFYSA-N 1 3 342.484 0.062 20 0 ECADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419892720 209241694 /nfs/dbraw/zinc/24/16/94/209241694.db2.gz URLIOCZNRDZJEM-QGZVFWFLSA-N 1 3 346.475 0.488 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419853294 209226827 /nfs/dbraw/zinc/22/68/27/209226827.db2.gz FAHLSIWTYOJBTL-JKSUJKDBSA-N 1 3 336.480 0.579 20 0 ECADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419845174 209223210 /nfs/dbraw/zinc/22/32/10/209223210.db2.gz NCJQCQPTMSTVBU-UHFFFAOYSA-N 1 3 336.480 0.722 20 0 ECADHO CC[N@H+](CCC1CCN(C(=O)C(=O)NCCN)CC1)CC(C)C ZINC000419817484 209212121 /nfs/dbraw/zinc/21/21/21/209212121.db2.gz LYLKGQRGLNNIOT-UHFFFAOYSA-N 1 3 326.485 0.668 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000419768337 209201405 /nfs/dbraw/zinc/20/14/05/209201405.db2.gz CLPPURXCUZHYEX-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419696817 284053210 /nfs/dbraw/zinc/05/32/10/284053210.db2.gz PFBBFVNFGWYGMN-RRFJBIMHSA-N 1 3 334.464 0.187 20 0 ECADHO CC(C)(N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262648937 245095795 /nfs/dbraw/zinc/09/57/95/245095795.db2.gz PYENRXQSRVPWKE-HNNXBMFYSA-N 1 3 332.448 0.737 20 0 ECADHO CC(C)(N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262648937 245095800 /nfs/dbraw/zinc/09/58/00/245095800.db2.gz PYENRXQSRVPWKE-HNNXBMFYSA-N 1 3 332.448 0.737 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419653177 209158563 /nfs/dbraw/zinc/15/85/63/209158563.db2.gz FNCSMQFTFVTKBA-NVXWUHKLSA-N 1 3 346.475 0.834 20 0 ECADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)NCCN)CC1)CC(C)C ZINC000419817484 209212124 /nfs/dbraw/zinc/21/21/24/209212124.db2.gz LYLKGQRGLNNIOT-UHFFFAOYSA-N 1 3 326.485 0.668 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)cc1 ZINC000419575179 209131164 /nfs/dbraw/zinc/13/11/64/209131164.db2.gz AGKJHDOSHUGOPB-QWHCGFSZSA-N 1 3 332.448 0.921 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000170379584 284626964 /nfs/dbraw/zinc/62/69/64/284626964.db2.gz JQCDMCFJGIWYAR-UHFFFAOYSA-N 1 3 326.485 0.870 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419482292 209106931 /nfs/dbraw/zinc/10/69/31/209106931.db2.gz QACTXCZWEITAPE-RBSFLKMASA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419481349 209106132 /nfs/dbraw/zinc/10/61/32/209106132.db2.gz WZKZDXIHZKELOK-ZOBUZTSGSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419481349 209106129 /nfs/dbraw/zinc/10/61/29/209106129.db2.gz WZKZDXIHZKELOK-ZOBUZTSGSA-N 1 3 346.475 0.867 20 0 ECADHO CC[C@H](C(=O)NCCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000413319431 208311548 /nfs/dbraw/zinc/31/15/48/208311548.db2.gz DBJZPCAKYVKCEU-HUUCEWRRSA-N 1 3 326.485 0.774 20 0 ECADHO CC[C@H](C(=O)N[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000413438497 208325728 /nfs/dbraw/zinc/32/57/28/208325728.db2.gz QANOFZSXLWTBSO-RBSFLKMASA-N 1 3 328.501 0.924 20 0 ECADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000413438497 208325734 /nfs/dbraw/zinc/32/57/34/208325734.db2.gz QANOFZSXLWTBSO-RBSFLKMASA-N 1 3 328.501 0.924 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000418700594 208838742 /nfs/dbraw/zinc/83/87/42/208838742.db2.gz PIBHSYGIDOJFBE-HNNXBMFYSA-N 1 3 341.500 0.700 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419445225 209098283 /nfs/dbraw/zinc/09/82/83/209098283.db2.gz DQFPYHCSQXZTQC-UHFFFAOYSA-N 1 3 342.484 0.239 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419165333 209007738 /nfs/dbraw/zinc/00/77/38/209007738.db2.gz GBJMXIJWXINGLS-HOTGVXAUSA-N 1 3 338.496 0.873 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419165335 209007818 /nfs/dbraw/zinc/00/78/18/209007818.db2.gz GBJMXIJWXINGLS-JKSUJKDBSA-N 1 3 338.496 0.873 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419173368 209011937 /nfs/dbraw/zinc/01/19/37/209011937.db2.gz SMXFLRXYMXBWLM-CABCVRRESA-N 1 3 326.485 0.857 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419175909 209013806 /nfs/dbraw/zinc/01/38/06/209013806.db2.gz YGAGOGCTSOSYIX-OAGGEKHMSA-N 1 3 338.496 0.871 20 0 ECADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419225483 209031904 /nfs/dbraw/zinc/03/19/04/209031904.db2.gz HDYJACAUPYTXST-BZUAXINKSA-N 1 3 336.480 0.611 20 0 ECADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419227534 209033485 /nfs/dbraw/zinc/03/34/85/209033485.db2.gz KSBKIDPTHJOSID-GDBMZVCRSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419234267 209035415 /nfs/dbraw/zinc/03/54/15/209035415.db2.gz XIUHKKWLPZLSCK-KRWDZBQOSA-N 1 3 348.491 0.793 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419232020 209035922 /nfs/dbraw/zinc/03/59/22/209035922.db2.gz TZBHWJHICJMREW-DOTOQJQBSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419332216 209060811 /nfs/dbraw/zinc/06/08/11/209060811.db2.gz KHXRPFMZQOSNGC-SJKOYZFVSA-N 1 3 342.443 0.505 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000357681489 299613916 /nfs/dbraw/zinc/61/39/16/299613916.db2.gz MBEFOWWGKMKQCQ-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418581334 296583694 /nfs/dbraw/zinc/58/36/94/296583694.db2.gz UNDIQXPUXJHQHN-HUUCEWRRSA-N 1 3 339.484 0.276 20 0 ECADHO Cc1nc2n(n1)C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000154582927 296697348 /nfs/dbraw/zinc/69/73/48/296697348.db2.gz HEAKNRPDUGMKMJ-CQSZACIVSA-N 1 3 337.472 0.036 20 0 ECADHO C[C@H]([NH3+])C1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000261928705 165263868 /nfs/dbraw/zinc/26/38/68/165263868.db2.gz JCGWXHPPURFCQJ-LBPRGKRZSA-N 1 3 327.450 0.772 20 0 ECADHO N[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)C1CCOCC1 ZINC000262043767 165280693 /nfs/dbraw/zinc/28/06/93/165280693.db2.gz QKOQCSQCZYZDSJ-INIZCTEOSA-N 1 3 339.480 0.892 20 0 ECADHO O=C(CN1CCNC[C@H]1c1cccnc1)NC1CC[NH+](C2CC2)CC1 ZINC000262205268 165307612 /nfs/dbraw/zinc/30/76/12/165307612.db2.gz KYXGJWOEUSEDGT-SFHVURJKSA-N 1 3 343.475 0.771 20 0 ECADHO COC[C@@]1(CNS(=O)(=O)c2ccc(CN(C)C)cc2)CCC[NH2+]1 ZINC000262210365 165308648 /nfs/dbraw/zinc/30/86/48/165308648.db2.gz DWKMWVDHXQCKCD-INIZCTEOSA-N 1 3 341.477 0.795 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)CC1=O ZINC000262517463 165357980 /nfs/dbraw/zinc/35/79/80/165357980.db2.gz UOEJNACUFBQBEA-HRCADAONSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401176 209082333 /nfs/dbraw/zinc/08/23/33/209082333.db2.gz OKSPRBLMXIRDKB-YCPHGPKFSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401176 209082337 /nfs/dbraw/zinc/08/23/37/209082337.db2.gz OKSPRBLMXIRDKB-YCPHGPKFSA-N 1 3 332.448 0.477 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000419411781 209085456 /nfs/dbraw/zinc/08/54/56/209085456.db2.gz BSWXIKBKBWHWOK-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419410619 209085858 /nfs/dbraw/zinc/08/58/58/209085858.db2.gz AUKWQSQEYTYGJT-KRWDZBQOSA-N 1 3 344.459 0.501 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000248586422 545942742 /nfs/dbraw/zinc/94/27/42/545942742.db2.gz VXIRICQHCBZNFM-HZPDHXFCSA-N 1 3 325.501 0.796 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000248586422 545942748 /nfs/dbraw/zinc/94/27/48/545942748.db2.gz VXIRICQHCBZNFM-HZPDHXFCSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N(C)C ZINC000299024696 265322301 /nfs/dbraw/zinc/32/23/01/265322301.db2.gz UKNUNFRXESYSAF-ZDUSSCGKSA-N 1 3 336.436 0.632 20 0 ECADHO COC1(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)CC[NH2+]CC1 ZINC000165567019 277462361 /nfs/dbraw/zinc/46/23/61/277462361.db2.gz AHAGYOQJPLBXNK-HUUCEWRRSA-N 1 3 327.469 0.761 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[C@@H]1[NH3+] ZINC000418830237 277816464 /nfs/dbraw/zinc/81/64/64/277816464.db2.gz FQHMXVDCTNKCAU-OIISXLGYSA-N 1 3 346.475 0.471 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419981239 279134652 /nfs/dbraw/zinc/13/46/52/279134652.db2.gz TUZLWKGVUYEWGS-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000411775168 279260306 /nfs/dbraw/zinc/26/03/06/279260306.db2.gz XELAFCSBONIBQT-QZTJIDSGSA-N 1 3 339.480 0.497 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422310259 279268268 /nfs/dbraw/zinc/26/82/68/279268268.db2.gz VTZBGUJLNCXVQU-UYSNPLJNSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000422308492 279279039 /nfs/dbraw/zinc/27/90/39/279279039.db2.gz QHCCNTGEPZJEAA-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000422308492 279279042 /nfs/dbraw/zinc/27/90/42/279279042.db2.gz QHCCNTGEPZJEAA-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419072536 280248455 /nfs/dbraw/zinc/24/84/55/280248455.db2.gz BIRFEGGQTMQJGV-OWCLPIDISA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410584684 288300237 /nfs/dbraw/zinc/30/02/37/288300237.db2.gz LUZWJIQEHXOFIC-NVXWUHKLSA-N 1 3 348.491 0.768 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000340221892 437609391 /nfs/dbraw/zinc/60/93/91/437609391.db2.gz YSOSJRWJAPVRLS-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)CN1CCN(C)CC1 ZINC000189961329 437613011 /nfs/dbraw/zinc/61/30/11/437613011.db2.gz QLFLUXNUTHZXRE-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000419223437 289171901 /nfs/dbraw/zinc/17/19/01/289171901.db2.gz YHDDWJIENRNLOX-MRXNPFEDSA-N 1 3 348.447 0.097 20 0 ECADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000410463472 289367894 /nfs/dbraw/zinc/36/78/94/289367894.db2.gz BHUCSDWYQFNGTH-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419124677 289574968 /nfs/dbraw/zinc/57/49/68/289574968.db2.gz RLQOHYAJRJXIQQ-BZUAXINKSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)NC(N)=O)CC2)C[C@@H](C)O1 ZINC000171304087 296994062 /nfs/dbraw/zinc/99/40/62/296994062.db2.gz HXCDVJNRCFXSHA-CHWSQXEVSA-N 1 3 326.441 0.393 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000332479165 297043669 /nfs/dbraw/zinc/04/36/69/297043669.db2.gz PYHLIEOVBDXNSF-RRFJBIMHSA-N 1 3 337.468 0.204 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCN1C ZINC000332485702 297044139 /nfs/dbraw/zinc/04/41/39/297044139.db2.gz NQNZXMZVHOHMQO-FPCVCCKLSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCN1C ZINC000332485702 297044140 /nfs/dbraw/zinc/04/41/40/297044140.db2.gz NQNZXMZVHOHMQO-FPCVCCKLSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000332583830 297055380 /nfs/dbraw/zinc/05/53/80/297055380.db2.gz CUWDPZLUGFFHQF-KLHDSHLOSA-N 1 3 336.480 0.657 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000332660866 297063228 /nfs/dbraw/zinc/06/32/28/297063228.db2.gz WWCDMENCDQEWGE-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000422874758 295268298 /nfs/dbraw/zinc/26/82/98/295268298.db2.gz BABQABAGYHAPKR-HZPDHXFCSA-N 1 3 346.479 0.622 20 0 ECADHO [NH3+]C[C@H]1CCCC[C@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000422874758 295268300 /nfs/dbraw/zinc/26/83/00/295268300.db2.gz BABQABAGYHAPKR-HZPDHXFCSA-N 1 3 346.479 0.622 20 0 ECADHO CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000334126764 297165004 /nfs/dbraw/zinc/16/50/04/297165004.db2.gz PZAVWWITPFRCSS-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO CC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000334126764 297165005 /nfs/dbraw/zinc/16/50/05/297165005.db2.gz PZAVWWITPFRCSS-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000339575526 297360726 /nfs/dbraw/zinc/36/07/26/297360726.db2.gz WIQKRQOVNCJHDW-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000339575526 297360728 /nfs/dbraw/zinc/36/07/28/297360728.db2.gz WIQKRQOVNCJHDW-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339635603 297367055 /nfs/dbraw/zinc/36/70/55/297367055.db2.gz BXPPPACGUTWCMI-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339635603 297367058 /nfs/dbraw/zinc/36/70/58/297367058.db2.gz BXPPPACGUTWCMI-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)C1CC1 ZINC000339741045 297376163 /nfs/dbraw/zinc/37/61/63/297376163.db2.gz YGWNKARIDXNAAT-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000339964807 297412431 /nfs/dbraw/zinc/41/24/31/297412431.db2.gz MABIOOIXGDJQSW-UHFFFAOYSA-N 1 3 336.480 0.718 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000342905907 297791666 /nfs/dbraw/zinc/79/16/66/297791666.db2.gz UKMZLILHSVAOBS-HNNXBMFYSA-N 1 3 338.496 0.918 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC000345192432 298128308 /nfs/dbraw/zinc/12/83/08/298128308.db2.gz CXSCOOUANSBHQN-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC000345192432 298128311 /nfs/dbraw/zinc/12/83/11/298128311.db2.gz CXSCOOUANSBHQN-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000345502144 298164817 /nfs/dbraw/zinc/16/48/17/298164817.db2.gz GTQSXPIHLOMECS-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000345787893 298193193 /nfs/dbraw/zinc/19/31/93/298193193.db2.gz OCEPIJLLCRVECB-IYBDPMFKSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000345787893 298193198 /nfs/dbraw/zinc/19/31/98/298193198.db2.gz OCEPIJLLCRVECB-IYBDPMFKSA-N 1 3 336.480 0.626 20 0 ECADHO CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N(CC)CC ZINC000345963327 298203162 /nfs/dbraw/zinc/20/31/62/298203162.db2.gz QNQCAVNFUFPQOS-HUUCEWRRSA-N 1 3 326.485 0.810 20 0 ECADHO CC[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N(CC)CC ZINC000345963327 298203163 /nfs/dbraw/zinc/20/31/63/298203163.db2.gz QNQCAVNFUFPQOS-HUUCEWRRSA-N 1 3 326.485 0.810 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000346530546 298287557 /nfs/dbraw/zinc/28/75/57/298287557.db2.gz NADFODZQZXKFPX-XOKHGSTOSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000346530546 298287560 /nfs/dbraw/zinc/28/75/60/298287560.db2.gz NADFODZQZXKFPX-XOKHGSTOSA-N 1 3 348.491 0.718 20 0 ECADHO COC(=O)COc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347031732 298390356 /nfs/dbraw/zinc/39/03/56/298390356.db2.gz AMLYRTBOGBKSIG-OAHLLOKOSA-N 1 3 349.431 0.525 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000347050075 298394566 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ZINC000126653201 436790155 /nfs/dbraw/zinc/79/01/55/436790155.db2.gz UHDHNXGLGGWABQ-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000132765798 436870916 /nfs/dbraw/zinc/87/09/16/436870916.db2.gz ZJLQQYWXXWHMLO-INIZCTEOSA-N 1 3 326.485 0.585 20 0 ECADHO COCC[N@H+](C)CCNC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000171127960 436968909 /nfs/dbraw/zinc/96/89/09/436968909.db2.gz PVSHKDOTCFQODM-UHFFFAOYSA-N 1 3 348.491 0.742 20 0 ECADHO COCC[N@@H+](C)CCNC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000171127960 436968911 /nfs/dbraw/zinc/96/89/11/436968911.db2.gz PVSHKDOTCFQODM-UHFFFAOYSA-N 1 3 348.491 0.742 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000166456022 436937234 /nfs/dbraw/zinc/93/72/34/436937234.db2.gz MGRVSMNBTXFMIG-MRXNPFEDSA-N 1 3 332.448 0.736 20 0 ECADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000167418288 436939334 /nfs/dbraw/zinc/93/93/34/436939334.db2.gz JWAQOORIMKRXFZ-GOSISDBHSA-N 1 3 335.423 0.961 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000281057108 436942859 /nfs/dbraw/zinc/94/28/59/436942859.db2.gz JPHQFZCAWZTEFI-QFBILLFUSA-N 1 3 346.475 0.864 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000262981812 436947819 /nfs/dbraw/zinc/94/78/19/436947819.db2.gz YVHWPEWFZUKBTA-DZKIICNBSA-N 1 3 327.469 0.698 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000262981814 436948238 /nfs/dbraw/zinc/94/82/38/436948238.db2.gz YVHWPEWFZUKBTA-FMKPAKJESA-N 1 3 327.469 0.698 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)N(C)C1CC1 ZINC000284081115 437036963 /nfs/dbraw/zinc/03/69/63/437036963.db2.gz LTWCLORFVRWIPK-CQSZACIVSA-N 1 3 346.475 0.963 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCCCC1 ZINC000419810584 303357306 /nfs/dbraw/zinc/35/73/06/303357306.db2.gz XKTOPHAVNNXRHU-HNNXBMFYSA-N 1 3 336.480 0.851 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000331564827 437120303 /nfs/dbraw/zinc/12/03/03/437120303.db2.gz STBBQBQYDWWSKK-JYJNAYRXSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000331564827 437120305 /nfs/dbraw/zinc/12/03/05/437120305.db2.gz STBBQBQYDWWSKK-JYJNAYRXSA-N 1 3 336.480 0.671 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000332352603 437215399 /nfs/dbraw/zinc/21/53/99/437215399.db2.gz ZSWANUVDOJKZNG-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000331844448 437166807 /nfs/dbraw/zinc/16/68/07/437166807.db2.gz UCVCANVNCACACL-YHUYYLMFSA-N 1 3 336.480 0.513 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000288126382 437282602 /nfs/dbraw/zinc/28/26/02/437282602.db2.gz KIBYOIMFSYUBFT-ZDUSSCGKSA-N 1 3 336.436 0.632 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[NH+](CC)CC)C1 ZINC000337553448 437364515 /nfs/dbraw/zinc/36/45/15/437364515.db2.gz HXNAMGZUFCXBAD-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C[NH+](CC)CC)C1 ZINC000337553448 437364516 /nfs/dbraw/zinc/36/45/16/437364516.db2.gz HXNAMGZUFCXBAD-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000337642746 437373339 /nfs/dbraw/zinc/37/33/39/437373339.db2.gz GUKQUZSYFAQRPL-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000337642746 437373342 /nfs/dbraw/zinc/37/33/42/437373342.db2.gz GUKQUZSYFAQRPL-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000183075456 437373958 /nfs/dbraw/zinc/37/39/58/437373958.db2.gz JYRCPQXNBFHUTI-HZPDHXFCSA-N 1 3 331.526 0.958 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nncn2C1 ZINC000339655621 437485578 /nfs/dbraw/zinc/48/55/78/437485578.db2.gz RLFSTLKVOONBPU-CVEARBPZSA-N 1 3 348.495 0.715 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nncn2C1 ZINC000339655621 437485583 /nfs/dbraw/zinc/48/55/83/437485583.db2.gz RLFSTLKVOONBPU-CVEARBPZSA-N 1 3 348.495 0.715 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000290096152 437463180 /nfs/dbraw/zinc/46/31/80/437463180.db2.gz JQRKVXNFBRIWET-QGZVFWFLSA-N 1 3 334.464 0.414 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000339670120 437489008 /nfs/dbraw/zinc/48/90/08/437489008.db2.gz LMMPBJLDHLQBMV-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[NH+](C)C1(CNC(=O)[C@H]2CN3CCN2CCC3)Cc2ccccc2C1 ZINC000343275738 437542873 /nfs/dbraw/zinc/54/28/73/437542873.db2.gz LWBUIVBBODQQOX-GOSISDBHSA-N 1 3 342.487 0.592 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1)C1CC1 ZINC000343291503 437548601 /nfs/dbraw/zinc/54/86/01/437548601.db2.gz ZPEPSCGYWOQRHP-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000360182846 437549057 /nfs/dbraw/zinc/54/90/57/437549057.db2.gz BGIJQIBYIDROST-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000360182846 437549063 /nfs/dbraw/zinc/54/90/63/437549063.db2.gz BGIJQIBYIDROST-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC(=O)c2[nH]nc3c2CNCC3)c1 ZINC000188713925 437566378 /nfs/dbraw/zinc/56/63/78/437566378.db2.gz UQZQBFVLDDJBOL-UHFFFAOYSA-N 1 3 343.431 0.926 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000343683842 437628299 /nfs/dbraw/zinc/62/82/99/437628299.db2.gz INIBCJNAGSPPFZ-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000343702888 437632454 /nfs/dbraw/zinc/63/24/54/437632454.db2.gz ZEQVWKMRFFJVQN-INIZCTEOSA-N 1 3 337.512 0.821 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000343702888 437632457 /nfs/dbraw/zinc/63/24/57/437632457.db2.gz ZEQVWKMRFFJVQN-INIZCTEOSA-N 1 3 337.512 0.821 20 0 ECADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)CCN(C)C ZINC000340350675 437632920 /nfs/dbraw/zinc/63/29/20/437632920.db2.gz RVVMUUAAQQKTBW-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)CCN(C)C ZINC000340350675 437632927 /nfs/dbraw/zinc/63/29/27/437632927.db2.gz RVVMUUAAQQKTBW-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000343678909 437625368 /nfs/dbraw/zinc/62/53/68/437625368.db2.gz PYPKHUUASAFAEW-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CCOC(=O)[C@](C)(O)CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000331046830 437677818 /nfs/dbraw/zinc/67/78/18/437677818.db2.gz GIKZWGMIGGBVNB-RHSMWYFYSA-N 1 3 327.469 0.401 20 0 ECADHO CCOC(=O)[C@](C)(O)CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000331046830 437677821 /nfs/dbraw/zinc/67/78/21/437677821.db2.gz GIKZWGMIGGBVNB-RHSMWYFYSA-N 1 3 327.469 0.401 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1=CCN(C)CC1 ZINC000340517489 437684169 /nfs/dbraw/zinc/68/41/69/437684169.db2.gz QUIQBNYEPAXAOR-KBPBESRZSA-N 1 3 334.464 0.354 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1=CCN(C)CC1 ZINC000340517489 437684173 /nfs/dbraw/zinc/68/41/73/437684173.db2.gz QUIQBNYEPAXAOR-KBPBESRZSA-N 1 3 334.464 0.354 20 0 ECADHO CCNS(=O)(=O)[C@@H]1CCN(CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192783697 437692048 /nfs/dbraw/zinc/69/20/48/437692048.db2.gz AZZDYMSWOUMHGS-MRXNPFEDSA-N 1 3 346.541 0.416 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415238960 437768786 /nfs/dbraw/zinc/76/87/86/437768786.db2.gz NAIZKRHHJGXMEQ-ZDUSSCGKSA-N 1 3 348.447 0.952 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415238960 437768791 /nfs/dbraw/zinc/76/87/91/437768791.db2.gz NAIZKRHHJGXMEQ-ZDUSSCGKSA-N 1 3 348.447 0.952 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423747225 437824457 /nfs/dbraw/zinc/82/44/57/437824457.db2.gz SHGKIJBTJOIDLW-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000356522933 437776316 /nfs/dbraw/zinc/77/63/16/437776316.db2.gz LSMSQPWGAIDRPQ-GJZGRUSLSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000356522933 437776320 /nfs/dbraw/zinc/77/63/20/437776320.db2.gz LSMSQPWGAIDRPQ-GJZGRUSLSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)CC[C@@H]1[NH3+] ZINC000415434069 437802810 /nfs/dbraw/zinc/80/28/10/437802810.db2.gz AOUZHGRTKDVLGN-BBRMVZONSA-N 1 3 348.447 0.761 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)CN(C)[C@H]1CCSC1 ZINC000356644668 437805798 /nfs/dbraw/zinc/80/57/98/437805798.db2.gz MTMWQPUIDOECMR-HNNXBMFYSA-N 1 3 330.542 0.766 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)CN(C)[C@H]1CCSC1 ZINC000356644668 437805801 /nfs/dbraw/zinc/80/58/01/437805801.db2.gz MTMWQPUIDOECMR-HNNXBMFYSA-N 1 3 330.542 0.766 20 0 ECADHO CN(CCCN(C)C(=O)CN(C)[C@H]1CCSC1)CC[NH+](C)C ZINC000356644668 437805805 /nfs/dbraw/zinc/80/58/05/437805805.db2.gz MTMWQPUIDOECMR-HNNXBMFYSA-N 1 3 330.542 0.766 20 0 ECADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000341188383 437812090 /nfs/dbraw/zinc/81/20/90/437812090.db2.gz DAAQQRYIWJRESU-HRCADAONSA-N 1 3 326.485 0.861 20 0 ECADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000415870021 437875420 /nfs/dbraw/zinc/87/54/20/437875420.db2.gz SCHYWHUEFCXBLX-MRXNPFEDSA-N 1 3 348.447 0.572 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000423772133 437830534 /nfs/dbraw/zinc/83/05/34/437830534.db2.gz KMAWINVRFQZHKK-RBSFLKMASA-N 1 3 332.452 0.729 20 0 ECADHO CCCN(C)CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000347143009 437838915 /nfs/dbraw/zinc/83/89/15/437838915.db2.gz WMGXCPLJIQCWEG-UHFFFAOYSA-N 1 3 334.464 0.936 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN3CCC2CC3)CC1=O ZINC000365018163 437846234 /nfs/dbraw/zinc/84/62/34/437846234.db2.gz NNAXETYDOPWSDL-NVXWUHKLSA-N 1 3 348.491 0.626 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN3CCC2CC3)CC1=O ZINC000365018163 437846236 /nfs/dbraw/zinc/84/62/36/437846236.db2.gz NNAXETYDOPWSDL-NVXWUHKLSA-N 1 3 348.491 0.626 20 0 ECADHO CC[C@@]1(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CC[NH2+]C1 ZINC000370844379 437847845 /nfs/dbraw/zinc/84/78/45/437847845.db2.gz UOYWLXOYKSYEAX-LJQANCHMSA-N 1 3 346.475 0.984 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415748286 437853201 /nfs/dbraw/zinc/85/32/01/437853201.db2.gz PFKJGNUMFLEIIK-LSDHHAIUSA-N 1 3 330.432 0.755 20 0 ECADHO Cc1cc(NC(=O)CCN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)no1 ZINC000371306290 437918704 /nfs/dbraw/zinc/91/87/04/437918704.db2.gz UCSKLQHTZVLFCD-INIZCTEOSA-N 1 3 349.479 1.412 20 0 ECADHO Cc1cc(NC(=O)CCN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)no1 ZINC000371306290 437918710 /nfs/dbraw/zinc/91/87/10/437918710.db2.gz UCSKLQHTZVLFCD-INIZCTEOSA-N 1 3 349.479 1.412 20 0 ECADHO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H](N)CCC(N)=O)CC2)cc1 ZINC000365559694 437933555 /nfs/dbraw/zinc/93/35/55/437933555.db2.gz WGMBIBLEHFBTLX-QGZVFWFLSA-N 1 3 346.475 0.916 20 0 ECADHO [NH3+]CCOc1ccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000415942674 437880439 /nfs/dbraw/zinc/88/04/39/437880439.db2.gz BTFYBDJOQHPANI-OAHLLOKOSA-N 1 3 336.436 0.992 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415967978 437884518 /nfs/dbraw/zinc/88/45/18/437884518.db2.gz BUGHWJLTNZPOMV-INIZCTEOSA-N 1 3 345.447 0.916 20 0 ECADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357087111 437910122 /nfs/dbraw/zinc/91/01/22/437910122.db2.gz WDBAANQQFSPVCP-FVQBIDKESA-N 1 3 336.480 0.420 20 0 ECADHO COCCN1CCC(NC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424453891 437939542 /nfs/dbraw/zinc/93/95/42/437939542.db2.gz KVIAUTBPYCHDAK-UHFFFAOYSA-N 1 3 348.447 0.619 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000342024065 437945112 /nfs/dbraw/zinc/94/51/12/437945112.db2.gz QNXWARTXXKIVKP-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[N@H+](C)C1CC1 ZINC000342086931 437963705 /nfs/dbraw/zinc/96/37/05/437963705.db2.gz NUVZQRGFGWFIKG-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[N@@H+](C)C1CC1 ZINC000342086931 437963707 /nfs/dbraw/zinc/96/37/07/437963707.db2.gz NUVZQRGFGWFIKG-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CC=C(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000365880225 437984278 /nfs/dbraw/zinc/98/42/78/437984278.db2.gz KYUIGDGZKHVXEX-UHFFFAOYSA-N 1 3 332.452 1.533 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347984043 437990034 /nfs/dbraw/zinc/99/00/34/437990034.db2.gz VLPIDPNWMKBWOO-OWCLPIDISA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347984043 437990040 /nfs/dbraw/zinc/99/00/40/437990040.db2.gz VLPIDPNWMKBWOO-OWCLPIDISA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)CCn1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)n1 ZINC000372105756 438034063 /nfs/dbraw/zinc/03/40/63/438034063.db2.gz QIHVSNQLKDQILH-UHFFFAOYSA-N 1 3 330.436 1.423 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000417357067 438040789 /nfs/dbraw/zinc/04/07/89/438040789.db2.gz FZFRPIDCNKYWOF-UHFFFAOYSA-N 1 3 349.479 0.331 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000417432234 438049950 /nfs/dbraw/zinc/04/99/50/438049950.db2.gz SMVULOITHKFFIC-HUUCEWRRSA-N 1 3 339.484 0.370 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)NCCN2CC[NH2+]CC2)c1 ZINC000416975555 438011531 /nfs/dbraw/zinc/01/15/31/438011531.db2.gz NXJBHGFMNZQGOR-UHFFFAOYSA-N 1 3 349.479 0.331 20 0 ECADHO CCc1ccccc1[C@H](N)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000417834249 438083368 /nfs/dbraw/zinc/08/33/68/438083368.db2.gz MRBSZSKSJATTKD-CVEARBPZSA-N 1 3 332.448 0.623 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C1=CCN(C)CC1 ZINC000348760071 438093710 /nfs/dbraw/zinc/09/37/10/438093710.db2.gz FCGYMMLUGZWGEH-LSDHHAIUSA-N 1 3 336.480 0.553 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C1=CCN(C)CC1 ZINC000348760071 438093713 /nfs/dbraw/zinc/09/37/13/438093713.db2.gz FCGYMMLUGZWGEH-LSDHHAIUSA-N 1 3 336.480 0.553 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCCN1C ZINC000418002788 438099906 /nfs/dbraw/zinc/09/99/06/438099906.db2.gz MLKULEPNJGLEHN-ILXRZTDVSA-N 1 3 339.484 0.498 20 0 ECADHO C[C@H](CNC(=O)NCCN1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000417576871 438061650 /nfs/dbraw/zinc/06/16/50/438061650.db2.gz IKHDHAJHVDROGI-MRXNPFEDSA-N 1 3 333.480 0.711 20 0 ECADHO COCCCN(C)CCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417752675 438072348 /nfs/dbraw/zinc/07/23/48/438072348.db2.gz MXENYUWLZYTPHM-INIZCTEOSA-N 1 3 326.485 0.986 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000417761445 438075526 /nfs/dbraw/zinc/07/55/26/438075526.db2.gz ZBRGYXIUQQPJBL-MRXNPFEDSA-N 1 3 337.512 0.869 20 0 ECADHO COC[C@@]1(CNC(=O)NCCCN2CCCO[C@H](C)C2)CCC[NH2+]1 ZINC000418113212 438109396 /nfs/dbraw/zinc/10/93/96/438109396.db2.gz JEJWEYMBUXQWPC-WBVHZDCISA-N 1 3 342.484 0.555 20 0 ECADHO CCCN(CCN1CCCC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418300205 438127932 /nfs/dbraw/zinc/12/79/32/438127932.db2.gz PPFUBQIMTWXRJQ-UHFFFAOYSA-N 1 3 325.501 0.799 20 0 ECADHO CC(C)N(C(=O)[C@@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000430610879 438117593 /nfs/dbraw/zinc/11/75/93/438117593.db2.gz MBKYEKGRAHCCIJ-HUUCEWRRSA-N 1 3 326.485 0.807 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000349025906 438128098 /nfs/dbraw/zinc/12/80/98/438128098.db2.gz IOSHHKPCESAMKO-HOTGVXAUSA-N 1 3 338.496 0.382 20 0 ECADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000430878084 438128148 /nfs/dbraw/zinc/12/81/48/438128148.db2.gz GZVVSACZYIITMF-DZGCQCFKSA-N 1 3 330.432 0.932 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000343015218 438105679 /nfs/dbraw/zinc/10/56/79/438105679.db2.gz NFKOYGBGJYDYFK-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]C1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418311755 438128432 /nfs/dbraw/zinc/12/84/32/438128432.db2.gz GCPZXXQHVFRNLZ-MJGOQNOKSA-N 1 3 346.475 0.922 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418326045 438131596 /nfs/dbraw/zinc/13/15/96/438131596.db2.gz XHOWWLMRTOAYHG-HNNXBMFYSA-N 1 3 325.501 0.973 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)C(=O)NCCN(C)C ZINC000418382127 438138441 /nfs/dbraw/zinc/13/84/41/438138441.db2.gz LSPHVRRMYQDHLB-KBPBESRZSA-N 1 3 327.473 0.130 20 0 ECADHO O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000418373818 438136658 /nfs/dbraw/zinc/13/66/58/438136658.db2.gz CAEGKVOUWSZVJP-AEFFLSMTSA-N 1 3 332.448 0.675 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)COC3CNC3)nc2)CC1 ZINC000431016373 438142645 /nfs/dbraw/zinc/14/26/45/438142645.db2.gz ZRCDKUDLGPJKOA-UHFFFAOYSA-N 1 3 333.436 0.539 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)CNC[C@@H]3CCCO3)CC2)CC1 ZINC000431043921 438145204 /nfs/dbraw/zinc/14/52/04/438145204.db2.gz GCTXHPVYGIKLSL-KRWDZBQOSA-N 1 3 338.496 0.430 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000349778918 438178259 /nfs/dbraw/zinc/17/82/59/438178259.db2.gz ULROFUDAOVNBNR-UHFFFAOYSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418798361 438192811 /nfs/dbraw/zinc/19/28/11/438192811.db2.gz VJZROMRMBHDMTH-LSDHHAIUSA-N 1 3 328.457 0.117 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)C(=O)NCCN(C)C ZINC000418497664 438150839 /nfs/dbraw/zinc/15/08/39/438150839.db2.gz KOEFIBLHGWXIAU-KBPBESRZSA-N 1 3 327.473 0.115 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418542121 438159736 /nfs/dbraw/zinc/15/97/36/438159736.db2.gz HIKVSJXPWKNXAI-OIISXLGYSA-N 1 3 334.464 0.906 20 0 ECADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418585699 438162995 /nfs/dbraw/zinc/16/29/95/438162995.db2.gz DTSQKZSNJWZKJL-UONOGXRCSA-N 1 3 333.436 0.920 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418599542 438164065 /nfs/dbraw/zinc/16/40/65/438164065.db2.gz RNIXRSGYRRGQDD-CABCVRRESA-N 1 3 339.484 0.180 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)Cc1ccccc1 ZINC000418854338 438219289 /nfs/dbraw/zinc/21/92/89/438219289.db2.gz SYRWYRJXIMWJTH-LPHOPBHVSA-N 1 3 346.475 0.473 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862166 438222081 /nfs/dbraw/zinc/22/20/81/438222081.db2.gz AIBSHOGZUZYHBV-NOLJZWGESA-N 1 3 336.480 0.609 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862166 438222086 /nfs/dbraw/zinc/22/20/86/438222086.db2.gz AIBSHOGZUZYHBV-NOLJZWGESA-N 1 3 336.480 0.609 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)C1 ZINC000418860458 438223438 /nfs/dbraw/zinc/22/34/38/438223438.db2.gz DZMCRVFBOYDGEF-HUUCEWRRSA-N 1 3 340.512 0.975 20 0 ECADHO CN(C)[C@@]1(CNC(=O)CCCN2CCC([NH3+])CC2)CCSC1 ZINC000433179519 438229932 /nfs/dbraw/zinc/22/99/32/438229932.db2.gz TWUDANIEZNBJJA-MRXNPFEDSA-N 1 3 328.526 0.743 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418876142 438230602 /nfs/dbraw/zinc/23/06/02/438230602.db2.gz LOBIINMLZHUKLO-HYVNUMGLSA-N 1 3 346.475 0.390 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418877187 438232481 /nfs/dbraw/zinc/23/24/81/438232481.db2.gz NZOOHZJPWKZRDF-MRXNPFEDSA-N 1 3 348.491 0.909 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)N1CCCCC1 ZINC000418828093 438202154 /nfs/dbraw/zinc/20/21/54/438202154.db2.gz FIFYXAQJOVLUFC-HNNXBMFYSA-N 1 3 338.496 0.955 20 0 ECADHO CN1CCN(C(=O)CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)CC1 ZINC000367396667 438203808 /nfs/dbraw/zinc/20/38/08/438203808.db2.gz METYNYKTORCFIM-MRXNPFEDSA-N 1 3 334.508 0.957 20 0 ECADHO CN1CCN(C(=O)CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)CC1 ZINC000367396667 438203812 /nfs/dbraw/zinc/20/38/12/438203812.db2.gz METYNYKTORCFIM-MRXNPFEDSA-N 1 3 334.508 0.957 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418831397 438204310 /nfs/dbraw/zinc/20/43/10/438204310.db2.gz GFSQFMDUAVIWQA-DLBZAZTESA-N 1 3 346.475 0.391 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000418829901 438204602 /nfs/dbraw/zinc/20/46/02/438204602.db2.gz DYZHXXRWEFJHKU-HOTGVXAUSA-N 1 3 332.448 0.144 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418835016 438207432 /nfs/dbraw/zinc/20/74/32/438207432.db2.gz PFFWGPRLQMHVHO-CHWSQXEVSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418945744 438260172 /nfs/dbraw/zinc/26/01/72/438260172.db2.gz LUZDEVWJANGTHD-OIISXLGYSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418969247 438267788 /nfs/dbraw/zinc/26/77/88/438267788.db2.gz VFJFGZKIEZDUMI-RDJZCZTQSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000418966244 438267838 /nfs/dbraw/zinc/26/78/38/438267838.db2.gz QBBAKOOIIJPKKN-CQSZACIVSA-N 1 3 332.448 0.491 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000418973874 438269617 /nfs/dbraw/zinc/26/96/17/438269617.db2.gz AXEAPLROIVQPOE-GOEBONIOSA-N 1 3 338.496 0.858 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000418973874 438269619 /nfs/dbraw/zinc/26/96/19/438269619.db2.gz AXEAPLROIVQPOE-GOEBONIOSA-N 1 3 338.496 0.858 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000418979513 438270784 /nfs/dbraw/zinc/27/07/84/438270784.db2.gz CDLZLCVNRJONDL-QGZVFWFLSA-N 1 3 346.475 0.822 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000418979513 438270787 /nfs/dbraw/zinc/27/07/87/438270787.db2.gz CDLZLCVNRJONDL-QGZVFWFLSA-N 1 3 346.475 0.822 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000358676617 438277608 /nfs/dbraw/zinc/27/76/08/438277608.db2.gz DSYRNBDMUOAAPY-INMHGKMJSA-N 1 3 326.485 0.720 20 0 ECADHO O=C(NCc1ccccc1CN1CCCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419004613 438281237 /nfs/dbraw/zinc/28/12/37/438281237.db2.gz FLAPTCBKQVFWAQ-QGZVFWFLSA-N 1 3 344.459 0.767 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000419006506 438282636 /nfs/dbraw/zinc/28/26/36/438282636.db2.gz WOMFEHGDOHLPEI-INIZCTEOSA-N 1 3 332.448 0.575 20 0 ECADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351554315 438286845 /nfs/dbraw/zinc/28/68/45/438286845.db2.gz HXQCQNBFFBZUKN-OIISXLGYSA-N 1 3 344.459 0.806 20 0 ECADHO C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000351555952 438288860 /nfs/dbraw/zinc/28/88/60/438288860.db2.gz GBRFKDBTSJXSFX-HOCLYGCPSA-N 1 3 332.448 0.491 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419018523 438289837 /nfs/dbraw/zinc/28/98/37/438289837.db2.gz CFNWFQFYFKFMET-NFAWXSAZSA-N 1 3 338.496 0.713 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419024376 438293720 /nfs/dbraw/zinc/29/37/20/438293720.db2.gz KSCMPYRVPZYTEV-DGADGQDISA-N 1 3 338.496 0.583 20 0 ECADHO NC[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000358744352 438294811 /nfs/dbraw/zinc/29/48/11/438294811.db2.gz OFYLNWDHVONPPY-DZGCQCFKSA-N 1 3 336.411 0.182 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419028916 438294935 /nfs/dbraw/zinc/29/49/35/438294935.db2.gz QZOOCJKMQQLHRP-OAGGEKHMSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419027320 438295538 /nfs/dbraw/zinc/29/55/38/438295538.db2.gz OPCUAGRHYLJWNQ-BASYENTBSA-N 1 3 338.496 0.666 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000419106197 438322245 /nfs/dbraw/zinc/32/22/45/438322245.db2.gz CWFBSZUFGODRJK-MRXNPFEDSA-N 1 3 336.480 0.753 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000419105964 438322941 /nfs/dbraw/zinc/32/29/41/438322941.db2.gz MYOHKNFZUNLLIJ-MRXNPFEDSA-N 1 3 346.475 0.820 20 0 ECADHO CCOC(=O)[C@@](C)(O)CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000368389959 438324028 /nfs/dbraw/zinc/32/40/28/438324028.db2.gz LCDAOQDIQFUMJP-RDJZCZTQSA-N 1 3 327.469 0.260 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419143124 438346151 /nfs/dbraw/zinc/34/61/51/438346151.db2.gz YUOINFJAUOKVKV-KGLIPLIRSA-N 1 3 328.501 0.959 20 0 ECADHO CCOC(=O)COCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000351712227 438325725 /nfs/dbraw/zinc/32/57/25/438325725.db2.gz NVXQUFQKAOTYRS-HOTGVXAUSA-N 1 3 327.469 0.524 20 0 ECADHO CCOC(=O)COCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000351712227 438325730 /nfs/dbraw/zinc/32/57/30/438325730.db2.gz NVXQUFQKAOTYRS-HOTGVXAUSA-N 1 3 327.469 0.524 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@@H]2CSCCN2)CC1 ZINC000434885528 438332746 /nfs/dbraw/zinc/33/27/46/438332746.db2.gz FOQRBYJIEBPAPP-CQSZACIVSA-N 1 3 342.509 0.140 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419129680 438338164 /nfs/dbraw/zinc/33/81/64/438338164.db2.gz BKFZLNAXYXSZGX-OAGGEKHMSA-N 1 3 338.496 0.999 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419030591 438297700 /nfs/dbraw/zinc/29/77/00/438297700.db2.gz TYFUCGABPMHAKQ-XFIYOXNOSA-N 1 3 338.496 0.665 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419080905 438313962 /nfs/dbraw/zinc/31/39/62/438313962.db2.gz QODNSQACMIYMLH-HUUCEWRRSA-N 1 3 326.485 0.857 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419171234 438349004 /nfs/dbraw/zinc/34/90/04/438349004.db2.gz ONQYRSKDTWTWEN-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NCCN ZINC000419220703 438351496 /nfs/dbraw/zinc/35/14/96/438351496.db2.gz VLXMLTIZRGKGQK-CQSZACIVSA-N 1 3 332.448 0.752 20 0 ECADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NCCN ZINC000419220703 438351497 /nfs/dbraw/zinc/35/14/97/438351497.db2.gz VLXMLTIZRGKGQK-CQSZACIVSA-N 1 3 332.448 0.752 20 0 ECADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NCCN)C[N@@H+]1Cc1ccccc1 ZINC000419483485 438360897 /nfs/dbraw/zinc/36/08/97/438360897.db2.gz ZZRKHNCXLIREFT-GDBMZVCRSA-N 1 3 332.448 0.478 20 0 ECADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NCCN)C[N@H+]1Cc1ccccc1 ZINC000419483485 438360903 /nfs/dbraw/zinc/36/09/03/438360903.db2.gz ZZRKHNCXLIREFT-GDBMZVCRSA-N 1 3 332.448 0.478 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C1=CCN(C)CC1 ZINC000419632880 438364511 /nfs/dbraw/zinc/36/45/11/438364511.db2.gz YCZRBXXQCQQJMQ-BBRMVZONSA-N 1 3 336.480 0.777 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419694529 438367197 /nfs/dbraw/zinc/36/71/97/438367197.db2.gz KOZVSZXATKYJGJ-LZWOXQAQSA-N 1 3 336.480 0.753 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000419701329 438370183 /nfs/dbraw/zinc/37/01/83/438370183.db2.gz TXEKMADMUHLSGJ-XHSDSOJGSA-N 1 3 338.496 0.857 20 0 ECADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419978134 438378921 /nfs/dbraw/zinc/37/89/21/438378921.db2.gz NSIWAZWXKHHIPH-JKSUJKDBSA-N 1 3 336.480 0.579 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419968471 438378931 /nfs/dbraw/zinc/37/89/31/438378931.db2.gz PZHGYJQRZLNLAC-MRXNPFEDSA-N 1 3 338.496 0.955 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000352095982 438381174 /nfs/dbraw/zinc/38/11/74/438381174.db2.gz CNZZKZBBUHBAND-RDJZCZTQSA-N 1 3 334.464 0.375 20 0 ECADHO CC(C)CC[NH+]1CCC(CNC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000352097252 438382273 /nfs/dbraw/zinc/38/22/73/438382273.db2.gz PZMCLKHYFUEMCE-KRWDZBQOSA-N 1 3 340.512 0.960 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000420031636 438384215 /nfs/dbraw/zinc/38/42/15/438384215.db2.gz HKXWPKDCFDDWRS-GXTWGEPZSA-N 1 3 340.468 0.016 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N1CCC[C@@H](C)C1 ZINC000420071229 438384542 /nfs/dbraw/zinc/38/45/42/438384542.db2.gz WLVAGCZBMPSWIS-FPCVCCKLSA-N 1 3 338.496 0.857 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420081438 438385011 /nfs/dbraw/zinc/38/50/11/438385011.db2.gz IBKUOJISBJUZGB-GOEBONIOSA-N 1 3 338.496 0.810 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420081438 438385015 /nfs/dbraw/zinc/38/50/15/438385015.db2.gz IBKUOJISBJUZGB-GOEBONIOSA-N 1 3 338.496 0.810 20 0 ECADHO O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391003947 438436462 /nfs/dbraw/zinc/43/64/62/438436462.db2.gz GPHAZFFPOUMBKK-MSOLQXFVSA-N 1 3 347.459 0.772 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000359268659 438398026 /nfs/dbraw/zinc/39/80/26/438398026.db2.gz XDYPIOOXWGPDAS-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000359268659 438398029 /nfs/dbraw/zinc/39/80/29/438398029.db2.gz XDYPIOOXWGPDAS-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000359265173 438399400 /nfs/dbraw/zinc/39/94/00/438399400.db2.gz QRBGRZBNVMKZRV-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000359265173 438399404 /nfs/dbraw/zinc/39/94/04/438399404.db2.gz QRBGRZBNVMKZRV-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO O[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)CN1CCCC1 ZINC000382250324 438413213 /nfs/dbraw/zinc/41/32/13/438413213.db2.gz LDXXNMZZTQCXBH-RTBURBONSA-N 1 3 333.476 0.934 20 0 ECADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000383504743 438415402 /nfs/dbraw/zinc/41/54/02/438415402.db2.gz ZTRFBIMEDIAXFU-RTBURBONSA-N 1 3 333.476 0.791 20 0 ECADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000383504743 438415405 /nfs/dbraw/zinc/41/54/05/438415405.db2.gz ZTRFBIMEDIAXFU-RTBURBONSA-N 1 3 333.476 0.791 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000421506002 438489267 /nfs/dbraw/zinc/48/92/67/438489267.db2.gz CCPCHZKGNQEVRI-CVEARBPZSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000421506002 438489271 /nfs/dbraw/zinc/48/92/71/438489271.db2.gz CCPCHZKGNQEVRI-CVEARBPZSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000421559170 438492182 /nfs/dbraw/zinc/49/21/82/438492182.db2.gz OEQURUSHJDDAGL-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000421559170 438492186 /nfs/dbraw/zinc/49/21/86/438492186.db2.gz OEQURUSHJDDAGL-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422277964 438542199 /nfs/dbraw/zinc/54/21/99/438542199.db2.gz MKOTZTNBVKJTBM-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422311526 438550579 /nfs/dbraw/zinc/55/05/79/438550579.db2.gz QPZHLBAFHDFERS-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000440985549 438572859 /nfs/dbraw/zinc/57/28/59/438572859.db2.gz UERNGVKWSJCDFK-GJZGRUSLSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000440985549 438572862 /nfs/dbraw/zinc/57/28/62/438572862.db2.gz UERNGVKWSJCDFK-GJZGRUSLSA-N 1 3 325.501 0.794 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422486941 438577904 /nfs/dbraw/zinc/57/79/04/438577904.db2.gz ILNNTAYHGCWMST-MRXNPFEDSA-N 1 3 340.512 0.881 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422486941 438577906 /nfs/dbraw/zinc/57/79/06/438577906.db2.gz ILNNTAYHGCWMST-MRXNPFEDSA-N 1 3 340.512 0.881 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CCC1 ZINC000410498471 438593572 /nfs/dbraw/zinc/59/35/72/438593572.db2.gz JVWIUMLQNVKCLZ-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422624647 438595557 /nfs/dbraw/zinc/59/55/57/438595557.db2.gz CKNXRZBLCTWYMF-UHFFFAOYSA-N 1 3 326.485 0.774 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000422963402 438620912 /nfs/dbraw/zinc/62/09/12/438620912.db2.gz ILQOBBDQCRSRCG-INIZCTEOSA-N 1 3 347.463 0.230 20 0 ECADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@H]1CCCCN1 ZINC000422980464 438625155 /nfs/dbraw/zinc/62/51/55/438625155.db2.gz PSUGESZMSZBSTJ-QZTJIDSGSA-N 1 3 326.529 0.887 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423059418 438634493 /nfs/dbraw/zinc/63/44/93/438634493.db2.gz FQHMZCLCPOIZOS-HUUCEWRRSA-N 1 3 326.485 0.476 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000423058423 438635001 /nfs/dbraw/zinc/63/50/01/438635001.db2.gz CHHFPPHOWGHGJD-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000443058363 438638022 /nfs/dbraw/zinc/63/80/22/438638022.db2.gz KIAGGDXOZZSRBB-CQSZACIVSA-N 1 3 349.431 0.971 20 0 ECADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423137191 438641561 /nfs/dbraw/zinc/64/15/61/438641561.db2.gz ZVYQQZHKUFNDRD-KFWWJZLASA-N 1 3 332.514 0.754 20 0 ECADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423137191 438641565 /nfs/dbraw/zinc/64/15/65/438641565.db2.gz ZVYQQZHKUFNDRD-KFWWJZLASA-N 1 3 332.514 0.754 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000423362452 438666150 /nfs/dbraw/zinc/66/61/50/438666150.db2.gz HVUSVVRMMSNUPJ-UHFFFAOYSA-N 1 3 340.493 0.706 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423369866 438666677 /nfs/dbraw/zinc/66/66/77/438666677.db2.gz PCGBLSWHIMYGMV-LSDHHAIUSA-N 1 3 348.447 0.238 20 0 ECADHO CC[N@H+](CCC1CCN(C(=O)C(=O)N(C)CCN)CC1)CC1CC1 ZINC000423464048 438678802 /nfs/dbraw/zinc/67/88/02/438678802.db2.gz GKUTYWZLBJSTSK-UHFFFAOYSA-N 1 3 338.496 0.764 20 0 ECADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)N(C)CCN)CC1)CC1CC1 ZINC000423464048 438678806 /nfs/dbraw/zinc/67/88/06/438678806.db2.gz GKUTYWZLBJSTSK-UHFFFAOYSA-N 1 3 338.496 0.764 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423511298 438682251 /nfs/dbraw/zinc/68/22/51/438682251.db2.gz OOMCZJDPUJWAST-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423527965 438682803 /nfs/dbraw/zinc/68/28/03/438682803.db2.gz SMMZPSSIIPBRDP-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC[C@@H]2CCC[NH2+]2)cn1 ZINC000494668792 438703073 /nfs/dbraw/zinc/70/30/73/438703073.db2.gz MXGHKFVFFHBTIV-ZDUSSCGKSA-N 1 3 336.440 0.032 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000414701125 438715405 /nfs/dbraw/zinc/71/54/05/438715405.db2.gz KIHDIMXPUDXDTB-CQSZACIVSA-N 1 3 348.447 0.811 20 0 ECADHO Cc1nn(C)c(OCC(F)(F)F)c1CNCCN1CC[NH2+]CC1 ZINC000414861953 438718524 /nfs/dbraw/zinc/71/85/24/438718524.db2.gz GPQAIEXBEOUVBQ-UHFFFAOYSA-N 1 3 335.374 0.664 20 0 ECADHO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2)C1CC1 ZINC000414876823 438719342 /nfs/dbraw/zinc/71/93/42/438719342.db2.gz LDDWZQDGFYPXHX-HNNXBMFYSA-N 1 3 348.422 0.866 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000575071074 438736565 /nfs/dbraw/zinc/73/65/65/438736565.db2.gz NQGPUZTZACPZGI-HNNXBMFYSA-N 1 3 336.484 0.201 20 0 ECADHO CN(C)CCOc1ccccc1N1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000575120715 438738502 /nfs/dbraw/zinc/73/85/02/438738502.db2.gz GWVBIXCWGZQCDN-UHFFFAOYSA-N 1 3 346.475 0.885 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCC1 ZINC000575826015 438755900 /nfs/dbraw/zinc/75/59/00/438755900.db2.gz UXZUUPYZDJUBNS-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCC1 ZINC000575826015 438755903 /nfs/dbraw/zinc/75/59/03/438755903.db2.gz UXZUUPYZDJUBNS-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000553345863 438750475 /nfs/dbraw/zinc/75/04/75/438750475.db2.gz QRXVPSSWAFDSMO-DOTOQJQBSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000553345863 438750478 /nfs/dbraw/zinc/75/04/78/438750478.db2.gz QRXVPSSWAFDSMO-DOTOQJQBSA-N 1 3 348.491 0.816 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)C1 ZINC000576445427 438783768 /nfs/dbraw/zinc/78/37/68/438783768.db2.gz NTOMAUSDFSSPQL-MAUKXSAKSA-N 1 3 334.464 0.237 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)C1 ZINC000576445427 438783772 /nfs/dbraw/zinc/78/37/72/438783772.db2.gz NTOMAUSDFSSPQL-MAUKXSAKSA-N 1 3 334.464 0.237 20 0 ECADHO CNC[C@H](O)C[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497277052 438788307 /nfs/dbraw/zinc/78/83/07/438788307.db2.gz ICXWBVUNLWFJRO-UONOGXRCSA-N 1 3 331.457 0.164 20 0 ECADHO C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H](C)N1C ZINC000457631901 438817972 /nfs/dbraw/zinc/81/79/72/438817972.db2.gz FETSNLUAFMFNGN-GASCZTMLSA-N 1 3 325.501 0.746 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000514603859 438818693 /nfs/dbraw/zinc/81/86/93/438818693.db2.gz SCBVPGMDGIHZIV-SOUVJXGZSA-N 1 3 326.485 0.855 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000577355368 438835151 /nfs/dbraw/zinc/83/51/51/438835151.db2.gz DXRNWJKBHVFMRF-INIZCTEOSA-N 1 3 341.500 0.160 20 0 ECADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595959416 438900095 /nfs/dbraw/zinc/90/00/95/438900095.db2.gz DNXOXAQGTHIOOQ-HOTGVXAUSA-N 1 3 337.489 0.950 20 0 ECADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595959416 438900101 /nfs/dbraw/zinc/90/01/01/438900101.db2.gz DNXOXAQGTHIOOQ-HOTGVXAUSA-N 1 3 337.489 0.950 20 0 ECADHO COC[C@]1(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CCC[NH2+]1 ZINC000516262951 438901473 /nfs/dbraw/zinc/90/14/73/438901473.db2.gz HGMOAUJANAPCSO-LZLYRXPVSA-N 1 3 332.448 0.891 20 0 ECADHO COC[C@@]1(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CCC[NH2+]1 ZINC000516262950 438901760 /nfs/dbraw/zinc/90/17/60/438901760.db2.gz HGMOAUJANAPCSO-JZXOWHBKSA-N 1 3 332.448 0.891 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000515224503 438858319 /nfs/dbraw/zinc/85/83/19/438858319.db2.gz MONIMUKWRLGEHU-SIRPWMCASA-N 1 3 348.491 0.576 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000564937958 438890108 /nfs/dbraw/zinc/89/01/08/438890108.db2.gz QOVBZWMUTRKUJE-ZFWWWQNUSA-N 1 3 334.468 0.832 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000564937957 438890794 /nfs/dbraw/zinc/89/07/94/438890794.db2.gz QOVBZWMUTRKUJE-UKRRQHHQSA-N 1 3 334.468 0.832 20 0 ECADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCN(C2CC2)C1 ZINC000516554769 438913244 /nfs/dbraw/zinc/91/32/44/438913244.db2.gz JKEWEGHOVIDPLO-DGCLKSJQSA-N 1 3 349.401 0.358 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC(COC)COC)CC2)CC1 ZINC000565213926 438928145 /nfs/dbraw/zinc/92/81/45/438928145.db2.gz OONGJUHXTMKPGX-UHFFFAOYSA-N 1 3 341.496 0.960 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000516879081 438932412 /nfs/dbraw/zinc/93/24/12/438932412.db2.gz KZJDZYPUWGTXLT-RDJZCZTQSA-N 1 3 346.475 0.615 20 0 ECADHO C[C@H]1CC2(CN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1)CC[NH2+]CC2 ZINC000517025057 438946599 /nfs/dbraw/zinc/94/65/99/438946599.db2.gz QEJKPADNVPFDCY-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000459288699 438953446 /nfs/dbraw/zinc/95/34/46/438953446.db2.gz GGSVPLJYMIUJOV-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000459288699 438953453 /nfs/dbraw/zinc/95/34/53/438953453.db2.gz GGSVPLJYMIUJOV-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000459299063 438958402 /nfs/dbraw/zinc/95/84/02/438958402.db2.gz JZLXDRTYVUNUDP-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000459299063 438958407 /nfs/dbraw/zinc/95/84/07/438958407.db2.gz JZLXDRTYVUNUDP-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CN1CCC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000590859580 438963478 /nfs/dbraw/zinc/96/34/78/438963478.db2.gz LSZQHNUSCYLHON-HNNXBMFYSA-N 1 3 337.468 0.030 20 0 ECADHO CN1CCN(c2cc(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)ccn2)CC1 ZINC000566089697 439005004 /nfs/dbraw/zinc/00/50/04/439005004.db2.gz LDBOJKMESPHTFF-MJGOQNOKSA-N 1 3 345.491 0.690 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)C[C@@H]21 ZINC000519699356 439055192 /nfs/dbraw/zinc/05/51/92/439055192.db2.gz XGLKZJHYJMMOHW-PMPSAXMXSA-N 1 3 334.464 0.140 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000591456993 439017103 /nfs/dbraw/zinc/01/71/03/439017103.db2.gz JKBXBAFZABDADJ-INIZCTEOSA-N 1 3 332.448 0.546 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000591456993 439017108 /nfs/dbraw/zinc/01/71/08/439017108.db2.gz JKBXBAFZABDADJ-INIZCTEOSA-N 1 3 332.448 0.546 20 0 ECADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCCC[NH3+])C1 ZINC000580451799 439094667 /nfs/dbraw/zinc/09/46/67/439094667.db2.gz LOWZYGYPXCGKIS-QGZVFWFLSA-N 1 3 346.475 0.617 20 0 ECADHO CC(C)OCCCNC(=O)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000567049236 439107830 /nfs/dbraw/zinc/10/78/30/439107830.db2.gz GKHVGRKMOYAXKE-UHFFFAOYSA-N 1 3 340.512 0.535 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000567149775 439119720 /nfs/dbraw/zinc/11/97/20/439119720.db2.gz NZJDSORKYADNQO-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000521842775 439129486 /nfs/dbraw/zinc/12/94/86/439129486.db2.gz KQNCHZIPKYJDTO-WNRNVDISSA-N 1 3 344.459 0.795 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)C1 ZINC000567406947 439139504 /nfs/dbraw/zinc/13/95/04/439139504.db2.gz XJHAOXYQUUXLKS-IRXDYDNUSA-N 1 3 338.496 0.370 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](N3CCOCC3)CC2)C1 ZINC000567406947 439139508 /nfs/dbraw/zinc/13/95/08/439139508.db2.gz XJHAOXYQUUXLKS-IRXDYDNUSA-N 1 3 338.496 0.370 20 0 ECADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000567880226 439191513 /nfs/dbraw/zinc/19/15/13/439191513.db2.gz DXAZAZZWJXJGCN-CABCVRRESA-N 1 3 334.464 0.867 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488648788 439195803 /nfs/dbraw/zinc/19/58/03/439195803.db2.gz LWJADSGMDJOIPJ-BZUAXINKSA-N 1 3 326.485 0.936 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488648788 439195809 /nfs/dbraw/zinc/19/58/09/439195809.db2.gz LWJADSGMDJOIPJ-BZUAXINKSA-N 1 3 326.485 0.936 20 0 ECADHO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000581482744 439216713 /nfs/dbraw/zinc/21/67/13/439216713.db2.gz YULOPGWZSLIHEN-XHSDSOJGSA-N 1 3 334.464 0.141 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)C2)CC1 ZINC000568508691 439253500 /nfs/dbraw/zinc/25/35/00/439253500.db2.gz LNURRXCENFYGII-IRXDYDNUSA-N 1 3 338.496 0.382 20 0 ECADHO COC(=O)CCN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C[C@@H]1C ZINC000592566777 439255745 /nfs/dbraw/zinc/25/57/45/439255745.db2.gz XMCSMWLWJMKFQV-QWHCGFSZSA-N 1 3 349.435 0.196 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592958905 439320790 /nfs/dbraw/zinc/32/07/90/439320790.db2.gz NRQSPCGEDUCUOD-UONOGXRCSA-N 1 3 335.452 0.560 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)C2)C1 ZINC000582348099 439322794 /nfs/dbraw/zinc/32/27/94/439322794.db2.gz IAQDOKVTPXOJFH-IBGZPJMESA-N 1 3 342.443 0.825 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)C2)C1 ZINC000582348099 439322797 /nfs/dbraw/zinc/32/27/97/439322797.db2.gz IAQDOKVTPXOJFH-IBGZPJMESA-N 1 3 342.443 0.825 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000568974384 439294306 /nfs/dbraw/zinc/29/43/06/439294306.db2.gz NGQJJUNPFAAJOT-QLFBSQMISA-N 1 3 329.452 0.928 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NCCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000582856656 439390361 /nfs/dbraw/zinc/39/03/61/439390361.db2.gz QRQMOUREARQEQF-CVEARBPZSA-N 1 3 331.464 0.980 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529357270 439412685 /nfs/dbraw/zinc/41/26/85/439412685.db2.gz MIUDAPIUPQJQTK-HUUCEWRRSA-N 1 3 349.479 0.219 20 0 ECADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C(=O)N1CCN2CCC[C@H]2C1 ZINC000570422813 439418342 /nfs/dbraw/zinc/41/83/42/439418342.db2.gz MFPYSWYLMDBZNY-ZDUSSCGKSA-N 1 3 346.406 0.717 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(=O)N[C@@H](C)C3)CC2)CC1 ZINC000570527122 439427525 /nfs/dbraw/zinc/42/75/25/439427525.db2.gz GJLNELQJLLCGEM-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NC[C@@H]1CNCCO1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000570547185 439430669 /nfs/dbraw/zinc/43/06/69/439430669.db2.gz XJPTYGCIHNEDQV-SFHVURJKSA-N 1 3 346.475 0.981 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000607280720 439447491 /nfs/dbraw/zinc/44/74/91/439447491.db2.gz MDLSZBVYFKXPBP-LZWOXQAQSA-N 1 3 336.480 0.800 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000607280720 439447495 /nfs/dbraw/zinc/44/74/95/439447495.db2.gz MDLSZBVYFKXPBP-LZWOXQAQSA-N 1 3 336.480 0.800 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000593907688 439491899 /nfs/dbraw/zinc/49/18/99/439491899.db2.gz ROPMZUGFCMVBMB-HOTGVXAUSA-N 1 3 337.464 0.908 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000583684022 439498000 /nfs/dbraw/zinc/49/80/00/439498000.db2.gz ZOERHAAKTJPMID-XUWVNRHRSA-N 1 3 336.480 0.705 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)C2)C1 ZINC000583928890 439529214 /nfs/dbraw/zinc/52/92/14/439529214.db2.gz YADZIZTZOXTDQP-YJBOKZPZSA-N 1 3 336.480 0.518 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C[C@H]2N)cn1 ZINC000583929341 439529307 /nfs/dbraw/zinc/52/93/07/439529307.db2.gz CZDKYPKMINFRMN-BHYGNILZSA-N 1 3 346.479 0.873 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)C[C@H]2N)cn1 ZINC000583929341 439529309 /nfs/dbraw/zinc/52/93/09/439529309.db2.gz CZDKYPKMINFRMN-BHYGNILZSA-N 1 3 346.479 0.873 20 0 ECADHO CN(C)C/C=C\C(=O)N(C)CC(C)(C)CNC(=O)/C=C/C[NH+](C)C ZINC000492401126 439533088 /nfs/dbraw/zinc/53/30/88/439533088.db2.gz SYDGCEJIKMLCEX-GOOGBFEESA-N 1 3 338.496 0.823 20 0 ECADHO CN(C)C/C=C/C(=O)NCC(C)(C)CN(C)C(=O)/C=C\C[NH+](C)C ZINC000492401126 439533093 /nfs/dbraw/zinc/53/30/93/439533093.db2.gz SYDGCEJIKMLCEX-GOOGBFEESA-N 1 3 338.496 0.823 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC[N@@H+]1C ZINC000608704446 439538155 /nfs/dbraw/zinc/53/81/55/439538155.db2.gz UHLOADFEUYYUNP-ZACQAIPSSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC[N@H+]1C ZINC000608704446 439538158 /nfs/dbraw/zinc/53/81/58/439538158.db2.gz UHLOADFEUYYUNP-ZACQAIPSSA-N 1 3 337.512 0.891 20 0 ECADHO CCn1nc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)ccc1=O ZINC000600078158 439609652 /nfs/dbraw/zinc/60/96/52/439609652.db2.gz HMJAZHAZKZRUCB-HNNXBMFYSA-N 1 3 349.479 0.751 20 0 ECADHO CCn1nc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)ccc1=O ZINC000600078158 439609657 /nfs/dbraw/zinc/60/96/57/439609657.db2.gz HMJAZHAZKZRUCB-HNNXBMFYSA-N 1 3 349.479 0.751 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000584711509 439610011 /nfs/dbraw/zinc/61/00/11/439610011.db2.gz VYTHMSJFKUZRKV-QXSJWSMHSA-N 1 3 338.496 0.666 20 0 ECADHO CCCN1C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000573107946 439629425 /nfs/dbraw/zinc/62/94/25/439629425.db2.gz GRUCZYYHWOARDV-OAHLLOKOSA-N 1 3 341.500 0.380 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H](CO)C3CC3)CC2)CC1 ZINC000573616971 439657276 /nfs/dbraw/zinc/65/72/76/439657276.db2.gz JGAUYVSAWZJGRY-HNNXBMFYSA-N 1 3 338.496 0.863 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000573935247 439675909 /nfs/dbraw/zinc/67/59/09/439675909.db2.gz UIMTWHRHCIKTKD-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612978852 439747964 /nfs/dbraw/zinc/74/79/64/439747964.db2.gz YHMBTDZTBGHXDY-HUUCEWRRSA-N 1 3 349.479 0.077 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000612552007 439728997 /nfs/dbraw/zinc/72/89/97/439728997.db2.gz RVOBPINDLAICDL-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O ZINC000616995547 439826652 /nfs/dbraw/zinc/82/66/52/439826652.db2.gz UIIXGERKOYIORY-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1=O ZINC000616995547 439826656 /nfs/dbraw/zinc/82/66/56/439826656.db2.gz UIIXGERKOYIORY-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000662747910 439869771 /nfs/dbraw/zinc/86/97/71/439869771.db2.gz GIUQWLMNPZKDGD-QZTJIDSGSA-N 1 3 347.459 0.623 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758728 439879035 /nfs/dbraw/zinc/87/90/35/439879035.db2.gz SEPXETBRRJCRHZ-GXTWGEPZSA-N 1 3 336.402 0.671 20 0 ECADHO CCN1CCN(CCCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662757731 439879209 /nfs/dbraw/zinc/87/92/09/439879209.db2.gz LWCXQTVHILZDIZ-AWEZNQCLSA-N 1 3 336.402 0.672 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@@H+]1C ZINC000626806168 439888896 /nfs/dbraw/zinc/88/88/96/439888896.db2.gz CGUHEJGCIOXWCC-WFASDCNBSA-N 1 3 346.431 0.706 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@H+]1C ZINC000626806168 439888903 /nfs/dbraw/zinc/88/89/03/439888903.db2.gz CGUHEJGCIOXWCC-WFASDCNBSA-N 1 3 346.431 0.706 20 0 ECADHO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)C(=O)NC1CNC1 ZINC000652621876 439895561 /nfs/dbraw/zinc/89/55/61/439895561.db2.gz XFBPVIQLOUTODP-UHFFFAOYSA-N 1 3 348.472 0.901 20 0 ECADHO Cc1nnc2n1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000617506549 439900452 /nfs/dbraw/zinc/90/04/52/439900452.db2.gz RYMSAXNBRCYNNC-ZFWWWQNUSA-N 1 3 336.484 0.537 20 0 ECADHO Cc1nnc2n1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000617506549 439900457 /nfs/dbraw/zinc/90/04/57/439900457.db2.gz RYMSAXNBRCYNNC-ZFWWWQNUSA-N 1 3 336.484 0.537 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CN(C)[C@H]1CCSC1 ZINC000617506449 439901269 /nfs/dbraw/zinc/90/12/69/439901269.db2.gz NWIMEKUTQYEWKS-GJZGRUSLSA-N 1 3 330.542 0.812 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000617506266 439901593 /nfs/dbraw/zinc/90/15/93/439901593.db2.gz HUUQICNBGGANMP-LBPRGKRZSA-N 1 3 349.435 0.414 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000617506266 439901599 /nfs/dbraw/zinc/90/15/99/439901599.db2.gz HUUQICNBGGANMP-LBPRGKRZSA-N 1 3 349.435 0.414 20 0 ECADHO N[C@@H]1CCCCN(CC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662837903 439908812 /nfs/dbraw/zinc/90/88/12/439908812.db2.gz AHUPOAMQDCBXOD-JKSUJKDBSA-N 1 3 336.480 0.564 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662834669 439909675 /nfs/dbraw/zinc/90/96/75/439909675.db2.gz IMRBFFAPDIABMF-SQWLQELKSA-N 1 3 332.452 0.777 20 0 ECADHO O=C(CCOC1C[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662860131 439915502 /nfs/dbraw/zinc/91/55/02/439915502.db2.gz QSRDGYRYMPRWOY-MRXNPFEDSA-N 1 3 333.432 0.248 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642330457 439972222 /nfs/dbraw/zinc/97/22/22/439972222.db2.gz LIRWPWGIMPILCT-ZNMIVQPWSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)CN1CCCCC1 ZINC000631914589 439976901 /nfs/dbraw/zinc/97/69/01/439976901.db2.gz UEKZBNDXXHXAGL-AWEZNQCLSA-N 1 3 332.514 0.627 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000642439699 439980082 /nfs/dbraw/zinc/98/00/82/439980082.db2.gz NLNMGOXRAOEJLC-MCIONIFRSA-N 1 3 340.468 0.206 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662934577 439951043 /nfs/dbraw/zinc/95/10/43/439951043.db2.gz NGQCEWZAZOFWGU-UHFFFAOYSA-N 1 3 334.420 0.120 20 0 ECADHO C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000658534361 439985993 /nfs/dbraw/zinc/98/59/93/439985993.db2.gz AQDGSHYDLBMCGB-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO O=C(CC[NH2+]C1CC1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663018743 439991462 /nfs/dbraw/zinc/99/14/62/439991462.db2.gz YMRPXYLTTNBOMI-AWEZNQCLSA-N 1 3 346.479 0.667 20 0 ECADHO O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663018868 439991948 /nfs/dbraw/zinc/99/19/48/439991948.db2.gz QTFLMQPDSYWLIM-LSDHHAIUSA-N 1 3 346.479 0.525 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC[N@@H+]1C ZINC000636700453 440000407 /nfs/dbraw/zinc/00/04/07/440000407.db2.gz BFHOONBLJLWTPX-IJEWVQPXSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC[N@H+]1C ZINC000636700453 440000415 /nfs/dbraw/zinc/00/04/15/440000415.db2.gz BFHOONBLJLWTPX-IJEWVQPXSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000658569303 440010973 /nfs/dbraw/zinc/01/09/73/440010973.db2.gz DRXPQJAKRYKLTH-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000647180231 440016638 /nfs/dbraw/zinc/01/66/38/440016638.db2.gz OHTWFBJOZIQASD-CYBMUJFWSA-N 1 3 329.470 0.173 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)CCO1 ZINC000647233869 440025375 /nfs/dbraw/zinc/02/53/75/440025375.db2.gz GGKSXXHVOCGMJB-SWLSCSKDSA-N 1 3 327.450 0.485 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000642761507 440027579 /nfs/dbraw/zinc/02/75/79/440027579.db2.gz XBBWDPGXMWSUMO-OBJOEFQTSA-N 1 3 338.477 0.711 20 0 ECADHO CN(CCOCC[NH3+])C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000627009351 439988162 /nfs/dbraw/zinc/98/81/62/439988162.db2.gz PIXQKYTVJKYPQZ-UHFFFAOYSA-N 1 3 335.452 0.915 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000642912490 440061845 /nfs/dbraw/zinc/06/18/45/440061845.db2.gz QHKCZUIILKDTEG-CABCVRRESA-N 1 3 336.480 0.849 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000642919809 440064466 /nfs/dbraw/zinc/06/44/66/440064466.db2.gz HVYWGWWFHRYWEB-CVEARBPZSA-N 1 3 338.496 0.964 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653116522 440070041 /nfs/dbraw/zinc/07/00/41/440070041.db2.gz KAUQCBKGQRXIDS-JKSUJKDBSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)C(C)C ZINC000663420022 440071479 /nfs/dbraw/zinc/07/14/79/440071479.db2.gz KUMAALHSJXLAME-UHFFFAOYSA-N 1 3 343.516 0.767 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653116616 440072409 /nfs/dbraw/zinc/07/24/09/440072409.db2.gz MURBHDJNAAFBTR-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653115429 440072472 /nfs/dbraw/zinc/07/24/72/440072472.db2.gz OSWKBTFOCNKIIT-JYJNAYRXSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)C1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)Cc2ccccc2C1 ZINC000653121526 440073642 /nfs/dbraw/zinc/07/36/42/440073642.db2.gz XRDNAYRHGACTNH-LPHOPBHVSA-N 1 3 329.444 0.438 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000642969711 440074526 /nfs/dbraw/zinc/07/45/26/440074526.db2.gz IDQSSIKHZPIJOK-INIZCTEOSA-N 1 3 345.447 0.364 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[NH2+]1 ZINC000627201113 440043801 /nfs/dbraw/zinc/04/38/01/440043801.db2.gz FJLASXWIDYOBMY-QLFBSQMISA-N 1 3 337.468 0.075 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000642809738 440047528 /nfs/dbraw/zinc/04/75/28/440047528.db2.gz CTCWZFJDRZSNRN-XGUBFFRZSA-N 1 3 336.480 0.419 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000653373680 440138056 /nfs/dbraw/zinc/13/80/56/440138056.db2.gz QPACEXBVNFUJSP-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000653373680 440138061 /nfs/dbraw/zinc/13/80/61/440138061.db2.gz QPACEXBVNFUJSP-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC)CCN)[C@@H](C)C1 ZINC000627313385 440116060 /nfs/dbraw/zinc/11/60/60/440116060.db2.gz CWRQQKKTLPGOTM-LSDHHAIUSA-N 1 3 342.484 0.047 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC)CCN)[C@@H](C)C1 ZINC000627313385 440116066 /nfs/dbraw/zinc/11/60/66/440116066.db2.gz CWRQQKKTLPGOTM-LSDHHAIUSA-N 1 3 342.484 0.047 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@@H]1C[NH3+] ZINC000643478842 440179403 /nfs/dbraw/zinc/17/94/03/440179403.db2.gz LSEPJBSETHYRGT-CABCVRRESA-N 1 3 345.447 0.174 20 0 ECADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000618988978 440185455 /nfs/dbraw/zinc/18/54/55/440185455.db2.gz IQDLIXOFXGKSFT-HOTGVXAUSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCO1 ZINC000647905699 440187925 /nfs/dbraw/zinc/18/79/25/440187925.db2.gz ZUOHJJBYTRWNHX-BRWVUGGUSA-N 1 3 338.496 0.287 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000643516681 440195990 /nfs/dbraw/zinc/19/59/90/440195990.db2.gz JELJCXMFVNVDJZ-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000637052209 440149008 /nfs/dbraw/zinc/14/90/08/440149008.db2.gz VYIMXIMSHUQGLA-RYQLBKOJSA-N 1 3 346.475 0.873 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000637052209 440149013 /nfs/dbraw/zinc/14/90/13/440149013.db2.gz VYIMXIMSHUQGLA-RYQLBKOJSA-N 1 3 346.475 0.873 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627357670 440149249 /nfs/dbraw/zinc/14/92/49/440149249.db2.gz MSDCUGCYKAYAOH-OLMNPRSZSA-N 1 3 336.480 0.293 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000663680385 440149347 /nfs/dbraw/zinc/14/93/47/440149347.db2.gz GKOJDGDRZDSRLI-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000663680385 440149351 /nfs/dbraw/zinc/14/93/51/440149351.db2.gz GKOJDGDRZDSRLI-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659099945 440247338 /nfs/dbraw/zinc/24/73/38/440247338.db2.gz OFORWXHQWWMWIP-UHFFFAOYSA-N 1 3 330.432 0.945 20 0 ECADHO NC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)Cc2ccccc2C1 ZINC000648146958 440245201 /nfs/dbraw/zinc/24/52/01/440245201.db2.gz IVDJNJQLKJJTGD-SJORKVTESA-N 1 3 329.444 0.838 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627505741 440245244 /nfs/dbraw/zinc/24/52/44/440245244.db2.gz DCBFDXWJCLHZFL-HZPDHXFCSA-N 1 3 330.432 0.197 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000659102548 440251437 /nfs/dbraw/zinc/25/14/37/440251437.db2.gz DSSZQNFJSZXRFL-INIZCTEOSA-N 1 3 330.432 0.871 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000664220680 440263949 /nfs/dbraw/zinc/26/39/49/440263949.db2.gz XRRJBPDOCIVJIO-KBPBESRZSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[N@H+]1C ZINC000664220680 440263956 /nfs/dbraw/zinc/26/39/56/440263956.db2.gz XRRJBPDOCIVJIO-KBPBESRZSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000664332515 440290393 /nfs/dbraw/zinc/29/03/93/440290393.db2.gz ZFZFONVHUMKUET-UONOGXRCSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000664332515 440290396 /nfs/dbraw/zinc/29/03/96/440290396.db2.gz ZFZFONVHUMKUET-UONOGXRCSA-N 1 3 339.484 0.321 20 0 ECADHO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)CCCN2CCCC2)CCO1 ZINC000632575791 440291241 /nfs/dbraw/zinc/29/12/41/440291241.db2.gz ASTHKINYVBJDCL-MRXNPFEDSA-N 1 3 347.525 0.845 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000664366986 440298610 /nfs/dbraw/zinc/29/86/10/440298610.db2.gz GQOAMJVKIBHBQD-KBPBESRZSA-N 1 3 339.484 0.273 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000664366986 440298617 /nfs/dbraw/zinc/29/86/17/440298617.db2.gz GQOAMJVKIBHBQD-KBPBESRZSA-N 1 3 339.484 0.273 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000664366988 440299832 /nfs/dbraw/zinc/29/98/32/440299832.db2.gz GQOAMJVKIBHBQD-UONOGXRCSA-N 1 3 339.484 0.273 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000664366988 440299837 /nfs/dbraw/zinc/29/98/37/440299837.db2.gz GQOAMJVKIBHBQD-UONOGXRCSA-N 1 3 339.484 0.273 20 0 ECADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664409347 440305408 /nfs/dbraw/zinc/30/54/08/440305408.db2.gz UNNPFSOOZLKWTO-ZFWWWQNUSA-N 1 3 339.484 0.131 20 0 ECADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664409347 440305412 /nfs/dbraw/zinc/30/54/12/440305412.db2.gz UNNPFSOOZLKWTO-ZFWWWQNUSA-N 1 3 339.484 0.131 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000654395777 440307120 /nfs/dbraw/zinc/30/71/20/440307120.db2.gz TVRMAKRXCKXNBR-HPFXQQBRSA-N 1 3 338.496 0.957 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(C)(C)C ZINC000654446523 440319912 /nfs/dbraw/zinc/31/99/12/440319912.db2.gz PAPMFISWUODINX-ZNMIVQPWSA-N 1 3 326.485 0.813 20 0 ECADHO [NH3+]CC12CC(C1)CN2C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000659479509 440338907 /nfs/dbraw/zinc/33/89/07/440338907.db2.gz KRLYACNAQKAPKD-LTCLLZNKSA-N 1 3 344.459 0.886 20 0 ECADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000664725214 440363564 /nfs/dbraw/zinc/36/35/64/440363564.db2.gz PCOASLASVWBYSQ-UHFFFAOYSA-N 1 3 344.459 0.400 20 0 ECADHO C[C@H]1CN(C(=O)NCC2([NH3+])CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000659573128 440367060 /nfs/dbraw/zinc/36/70/60/440367060.db2.gz KYMRFROTESXQBJ-HOTGVXAUSA-N 1 3 337.512 0.925 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659681610 440416757 /nfs/dbraw/zinc/41/67/57/440416757.db2.gz XQTNPRBDMJFFQC-MGPQQGTHSA-N 1 3 326.485 0.665 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000638070069 440421050 /nfs/dbraw/zinc/42/10/50/440421050.db2.gz OXCNMSCTFFISJH-GOSISDBHSA-N 1 3 348.491 0.409 20 0 ECADHO O=C(Cc1cccc2c1CC[NH2+]C2)NCCCN1CCC(O)CC1 ZINC000638070880 440421131 /nfs/dbraw/zinc/42/11/31/440421131.db2.gz WVUQRDJHWUGNTO-UHFFFAOYSA-N 1 3 331.460 0.838 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659688706 440422617 /nfs/dbraw/zinc/42/26/17/440422617.db2.gz HNRDFPCYYUPSMW-CSLYMUCUSA-N 1 3 336.480 0.625 20 0 ECADHO COc1cnccc1N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659614911 440376128 /nfs/dbraw/zinc/37/61/28/440376128.db2.gz SXHQHWISORVWBC-UHFFFAOYSA-N 1 3 331.420 0.674 20 0 ECADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649268889 440428066 /nfs/dbraw/zinc/42/80/66/440428066.db2.gz FZRJQOVCNWGHIG-ZFWWWQNUSA-N 1 3 348.447 0.221 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)Cc1ccccc1 ZINC000659673351 440408613 /nfs/dbraw/zinc/40/86/13/440408613.db2.gz BGAWKEQOIICPIN-KOHRHEQBSA-N 1 3 344.459 0.144 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000638141846 440463489 /nfs/dbraw/zinc/46/34/89/440463489.db2.gz ILJFBFYOXWNDGT-DLBZAZTESA-N 1 3 341.496 0.962 20 0 ECADHO C[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@@H](C)CN1 ZINC000638154505 440466897 /nfs/dbraw/zinc/46/68/97/440466897.db2.gz CBPZRCQOCJKGNX-UWVGGRQHSA-N 1 3 342.394 0.963 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334066 440468551 /nfs/dbraw/zinc/46/85/51/440468551.db2.gz GLOLBCMTSZKLRZ-IEBWSBKVSA-N 1 3 342.487 0.986 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334066 440468554 /nfs/dbraw/zinc/46/85/54/440468554.db2.gz GLOLBCMTSZKLRZ-IEBWSBKVSA-N 1 3 342.487 0.986 20 0 ECADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4CN3)C2)CC1 ZINC000649334066 440468558 /nfs/dbraw/zinc/46/85/58/440468558.db2.gz GLOLBCMTSZKLRZ-IEBWSBKVSA-N 1 3 342.487 0.986 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659737834 440473297 /nfs/dbraw/zinc/47/32/97/440473297.db2.gz WABCNOGATKVSLU-ZNMIVQPWSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737140 440473953 /nfs/dbraw/zinc/47/39/53/440473953.db2.gz ROPUAWCGQGKJBN-KKUMJFAQSA-N 1 3 336.480 0.705 20 0 ECADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CNCCC1(F)F ZINC000649336639 440474112 /nfs/dbraw/zinc/47/41/12/440474112.db2.gz KMTNDRSHIJRNFN-GXTWGEPZSA-N 1 3 331.407 0.848 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CC[C@H]1[NH3+] ZINC000659738108 440475403 /nfs/dbraw/zinc/47/54/03/440475403.db2.gz ZYKOCCHEINTGCD-IJEWVQPXSA-N 1 3 336.480 0.705 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000659738525 440475761 /nfs/dbraw/zinc/47/57/61/440475761.db2.gz FJPUZALOYXIZEY-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000659709328 440444054 /nfs/dbraw/zinc/44/40/54/440444054.db2.gz HKYGWIAZIGVLGN-MRXNPFEDSA-N 1 3 347.463 0.278 20 0 ECADHO NCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659710327 440445159 /nfs/dbraw/zinc/44/51/59/440445159.db2.gz QJDUSJFNRMFMCB-INIZCTEOSA-N 1 3 344.459 0.480 20 0 ECADHO NCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659710327 440445164 /nfs/dbraw/zinc/44/51/64/440445164.db2.gz QJDUSJFNRMFMCB-INIZCTEOSA-N 1 3 344.459 0.480 20 0 ECADHO CN1CC[C@](O)(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000655000603 440455685 /nfs/dbraw/zinc/45/56/85/440455685.db2.gz WASMICDDSFTMCP-HOCLYGCPSA-N 1 3 327.494 0.387 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)[C@H](N)c2cccc(OC)c2)CC1 ZINC000638137860 440460722 /nfs/dbraw/zinc/46/07/22/440460722.db2.gz PKOIFELDZXSPBZ-QGZVFWFLSA-N 1 3 334.464 0.839 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)C)C1)N(C)C ZINC000665548724 440489703 /nfs/dbraw/zinc/48/97/03/440489703.db2.gz BJMAGDAQMVGDPW-VGWMRTNUSA-N 1 3 340.512 0.925 20 0 ECADHO Cc1cccc(NC(=O)[C@H]2CCCN(CCN3CC[NH2+]CC3)C2)n1 ZINC000649411552 440492579 /nfs/dbraw/zinc/49/25/79/440492579.db2.gz DYUZTYAWIULVLC-INIZCTEOSA-N 1 3 331.464 0.946 20 0 ECADHO COC[C@]1(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CCCCN1 ZINC000638345211 440517790 /nfs/dbraw/zinc/51/77/90/440517790.db2.gz CRNFHLCQFBRATO-JZXOWHBKSA-N 1 3 339.480 0.890 20 0 ECADHO C[NH2+]CCCN(C)C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638345923 440518842 /nfs/dbraw/zinc/51/88/42/440518842.db2.gz ZUJMJUHELPKDLB-UHFFFAOYSA-N 1 3 333.436 0.985 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000665761063 440527182 /nfs/dbraw/zinc/52/71/82/440527182.db2.gz WABUNKDDOGFMFQ-BBWFWOEESA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(=O)N(C)C)C1 ZINC000665764103 440531215 /nfs/dbraw/zinc/53/12/15/440531215.db2.gz UXHDALJAIMFJCS-GJZGRUSLSA-N 1 3 341.500 0.378 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(=O)N(C)C)C1 ZINC000665764103 440531219 /nfs/dbraw/zinc/53/12/19/440531219.db2.gz UXHDALJAIMFJCS-GJZGRUSLSA-N 1 3 341.500 0.378 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000638729537 440608580 /nfs/dbraw/zinc/60/85/80/440608580.db2.gz QPNUMPPCNIPOEF-OAHLLOKOSA-N 1 3 325.453 0.468 20 0 ECADHO O=C(C[C@@H]1CSCCN1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638785190 440623993 /nfs/dbraw/zinc/62/39/93/440623993.db2.gz ZYJUCLSHUMMQRN-HUUCEWRRSA-N 1 3 327.494 0.699 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)C1 ZINC000660269648 440626384 /nfs/dbraw/zinc/62/63/84/440626384.db2.gz KXOGVVGRLDAINH-XHSDSOJGSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000660270764 440626460 /nfs/dbraw/zinc/62/64/60/440626460.db2.gz QMZFKSMCZSZMCB-OAGGEKHMSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000660349173 440640137 /nfs/dbraw/zinc/64/01/37/440640137.db2.gz WAIXZAQCLVIHRQ-OAGGEKHMSA-N 1 3 338.496 0.917 20 0 ECADHO CN1CCN(C(=O)CCNC[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644563571 440645891 /nfs/dbraw/zinc/64/58/91/440645891.db2.gz YFQBZUFOVDZZKP-GOSISDBHSA-N 1 3 348.491 0.233 20 0 ECADHO CN1CCN(C(=O)CCNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644563571 440645894 /nfs/dbraw/zinc/64/58/94/440645894.db2.gz YFQBZUFOVDZZKP-GOSISDBHSA-N 1 3 348.491 0.233 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000656042024 440701185 /nfs/dbraw/zinc/70/11/85/440701185.db2.gz UCNCSTKBJGSLGA-IYBDPMFKSA-N 1 3 332.448 0.430 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000656065844 440705447 /nfs/dbraw/zinc/70/54/47/440705447.db2.gz OIPLQFHAWGISKH-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000656067252 440705606 /nfs/dbraw/zinc/70/56/06/440705606.db2.gz QZIIUOAJKKRLPT-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH2+]CCOCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000629528690 440717922 /nfs/dbraw/zinc/71/79/22/440717922.db2.gz GVLZDJILIFEVEC-LBPRGKRZSA-N 1 3 330.450 0.985 20 0 ECADHO O=C1NC2(CCCC2)C(=O)N1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629555153 440727574 /nfs/dbraw/zinc/72/75/74/440727574.db2.gz XKWFZDAWDCFHLX-CQSZACIVSA-N 1 3 338.452 0.287 20 0 ECADHO O[C@H](C[NH2+]CCCN1CCN(c2ncccn2)CC1)CN1CCCC1 ZINC000629555112 440728706 /nfs/dbraw/zinc/72/87/06/440728706.db2.gz UWCVKENCUQPNJQ-QGZVFWFLSA-N 1 3 348.495 0.035 20 0 ECADHO O[C@H](CNCCCN1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000629555112 440728710 /nfs/dbraw/zinc/72/87/10/440728710.db2.gz UWCVKENCUQPNJQ-QGZVFWFLSA-N 1 3 348.495 0.035 20 0 ECADHO CN(C)CCN1CCC(C[NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634959260 440729421 /nfs/dbraw/zinc/72/94/21/440729421.db2.gz MAQBYQPVHXTZAB-INIZCTEOSA-N 1 3 331.526 0.817 20 0 ECADHO CC(=O)NCC(=O)N1CCCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000629575284 440735291 /nfs/dbraw/zinc/73/52/91/440735291.db2.gz NTSBIDOTVMCBGS-UHFFFAOYSA-N 1 3 344.459 0.503 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@@H](N3CCCCC3)C1)C2 ZINC000629796431 440764525 /nfs/dbraw/zinc/76/45/25/440764525.db2.gz QMYORODKCYZKTL-LZQZEXGQSA-N 1 3 348.491 0.531 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCC1 ZINC000656327216 440770176 /nfs/dbraw/zinc/77/01/76/440770176.db2.gz COYBYYPEIOIQLK-HUUCEWRRSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759722 440787312 /nfs/dbraw/zinc/78/73/12/440787312.db2.gz HQPKILVZRIQQDS-AWEZNQCLSA-N 1 3 336.480 0.517 20 0 ECADHO Cc1ncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C(N)=O ZINC000640448694 440928324 /nfs/dbraw/zinc/92/83/24/440928324.db2.gz PTUKZGZWZTXCRW-UHFFFAOYSA-N 1 3 336.440 0.446 20 0 ECADHO CS(=O)(=O)NCC[C@@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252003 440995628 /nfs/dbraw/zinc/99/56/28/440995628.db2.gz KZJSORRKPAVWGR-UONOGXRCSA-N 1 3 331.482 0.301 20 0 ECADHO CCN1CCN(C(=O)CC2CC[NH+](C[C@H]3CNCCO3)CC2)CC1 ZINC000662263056 440997661 /nfs/dbraw/zinc/99/76/61/440997661.db2.gz YYKZHQOFQINMNW-QGZVFWFLSA-N 1 3 338.496 0.241 20 0 ECADHO CCC(=O)N1CCC([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000646215610 441030230 /nfs/dbraw/zinc/03/02/30/441030230.db2.gz APDRVTAJOALJIY-UHFFFAOYSA-N 1 3 338.496 0.969 20 0 ECADHO C[C@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CC[C@H]1N1CCN(C)CC1 ZINC000652238488 441034924 /nfs/dbraw/zinc/03/49/24/441034924.db2.gz IQQAVVPOYFGION-JKSUJKDBSA-N 1 3 337.512 0.783 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662438446 441041317 /nfs/dbraw/zinc/04/13/17/441041317.db2.gz SJCCGSHPMNKMMS-NVXWUHKLSA-N 1 3 344.459 0.925 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662438446 441041325 /nfs/dbraw/zinc/04/13/25/441041325.db2.gz SJCCGSHPMNKMMS-NVXWUHKLSA-N 1 3 344.459 0.925 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CC2)C1 ZINC000662463036 441049113 /nfs/dbraw/zinc/04/91/13/441049113.db2.gz SUSSZLRAWMMVGY-LSDHHAIUSA-N 1 3 346.479 0.339 20 0 ECADHO CN(C)S(=O)(=O)CCCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348673 441057698 /nfs/dbraw/zinc/05/76/98/441057698.db2.gz MVHHPQOJTMHMRA-KKUMJFAQSA-N 1 3 333.498 0.486 20 0 ECADHO CCNCc1ccn(Cc2cn(C[C@@H](O)C[N@H+](C)C3CC3)nn2)n1 ZINC000641224419 441078915 /nfs/dbraw/zinc/07/89/15/441078915.db2.gz ZEOUTBRFEMVVGI-INIZCTEOSA-N 1 3 333.440 0.088 20 0 ECADHO CCNCc1ccn(Cc2cn(C[C@@H](O)C[N@@H+](C)C3CC3)nn2)n1 ZINC000641224419 441078920 /nfs/dbraw/zinc/07/89/20/441078920.db2.gz ZEOUTBRFEMVVGI-INIZCTEOSA-N 1 3 333.440 0.088 20 0 ECADHO C[C@H](Cn1cncn1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000657865497 441079644 /nfs/dbraw/zinc/07/96/44/441079644.db2.gz ZDMQJWJMGMBSQX-MRXNPFEDSA-N 1 3 329.452 0.864 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339932825 321004588 /nfs/dbraw/zinc/00/45/88/321004588.db2.gz WKPGBTRUBAIDLK-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)NC1CCN(C2CC2)CC1 ZINC000339962747 321006263 /nfs/dbraw/zinc/00/62/63/321006263.db2.gz PILZCEXDABDBCS-UHFFFAOYSA-N 1 3 348.491 0.863 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340204422 321021752 /nfs/dbraw/zinc/02/17/52/321021752.db2.gz UQFLOCADHOSKHE-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340204422 321021754 /nfs/dbraw/zinc/02/17/54/321021754.db2.gz UQFLOCADHOSKHE-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000340219741 321024558 /nfs/dbraw/zinc/02/45/58/321024558.db2.gz YYHJLFAOYRSFEA-HZPDHXFCSA-N 1 3 338.496 0.683 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000340219741 321024559 /nfs/dbraw/zinc/02/45/59/321024559.db2.gz YYHJLFAOYRSFEA-HZPDHXFCSA-N 1 3 338.496 0.683 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000340264186 321032081 /nfs/dbraw/zinc/03/20/81/321032081.db2.gz ZUHLAXAIUXYOCY-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000340264186 321032083 /nfs/dbraw/zinc/03/20/83/321032083.db2.gz ZUHLAXAIUXYOCY-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000341240682 321052162 /nfs/dbraw/zinc/05/21/62/321052162.db2.gz OXCRHFUBVOPRKQ-KRWDZBQOSA-N 1 3 339.528 0.996 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000341240682 321052164 /nfs/dbraw/zinc/05/21/64/321052164.db2.gz OXCRHFUBVOPRKQ-KRWDZBQOSA-N 1 3 339.528 0.996 20 0 ECADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000341240683 321052338 /nfs/dbraw/zinc/05/23/38/321052338.db2.gz OXCRHFUBVOPRKQ-QGZVFWFLSA-N 1 3 339.528 0.996 20 0 ECADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000341240683 321052340 /nfs/dbraw/zinc/05/23/40/321052340.db2.gz OXCRHFUBVOPRKQ-QGZVFWFLSA-N 1 3 339.528 0.996 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342711608 321100088 /nfs/dbraw/zinc/10/00/88/321100088.db2.gz QJKNNRKNHJOGKW-HNNXBMFYSA-N 1 3 341.452 0.370 20 0 ECADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000343254369 321130270 /nfs/dbraw/zinc/13/02/70/321130270.db2.gz XGRNTAKOCMFCEA-QBPKDAKJSA-N 1 3 338.496 0.321 20 0 ECADHO O=C(NCCNc1ccncc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000347512091 321242040 /nfs/dbraw/zinc/24/20/40/321242040.db2.gz OZNBGVOTPKRJDL-HNNXBMFYSA-N 1 3 347.463 0.716 20 0 ECADHO CN1CCCN(C(=O)CCCCC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000347866207 321256234 /nfs/dbraw/zinc/25/62/34/321256234.db2.gz QYAPASQKZYGXCO-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO CN1CCCN(C(=O)CCCCC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000347866207 321256236 /nfs/dbraw/zinc/25/62/36/321256236.db2.gz QYAPASQKZYGXCO-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000347957439 321259073 /nfs/dbraw/zinc/25/90/73/321259073.db2.gz AUITXVYFYJBYGD-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347957439 321259075 /nfs/dbraw/zinc/25/90/75/321259075.db2.gz AUITXVYFYJBYGD-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000347977815 321262241 /nfs/dbraw/zinc/26/22/41/321262241.db2.gz PBQFSZMNUWTQEI-QKPAOTATSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000347977815 321262242 /nfs/dbraw/zinc/26/22/42/321262242.db2.gz PBQFSZMNUWTQEI-QKPAOTATSA-N 1 3 338.496 0.822 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353255716 321387065 /nfs/dbraw/zinc/38/70/65/321387065.db2.gz YBTQUNCVCDYVOA-CQSZACIVSA-N 1 3 339.484 0.309 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353255716 321387067 /nfs/dbraw/zinc/38/70/67/321387067.db2.gz YBTQUNCVCDYVOA-CQSZACIVSA-N 1 3 339.484 0.309 20 0 ECADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCN2CCC1CC2 ZINC000367081659 321683653 /nfs/dbraw/zinc/68/36/53/321683653.db2.gz UNNOSWBRYBTYKW-OAHLLOKOSA-N 1 3 336.480 0.977 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)CN1CCN(C)CC1 ZINC000532317656 322053173 /nfs/dbraw/zinc/05/31/73/322053173.db2.gz ZRDVABOBYQMJPI-HLLBOEOZSA-N 1 3 337.512 0.652 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)CN1CCN(C)CC1 ZINC000532317656 322053176 /nfs/dbraw/zinc/05/31/76/322053176.db2.gz ZRDVABOBYQMJPI-HLLBOEOZSA-N 1 3 337.512 0.652 20 0 ECADHO C[C@@H](Cc1ccncc1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000554604670 322176175 /nfs/dbraw/zinc/17/61/75/322176175.db2.gz GCCWHQAPYPEWNM-HNNXBMFYSA-N 1 3 349.479 0.081 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000556360159 322190781 /nfs/dbraw/zinc/19/07/81/322190781.db2.gz JXGKJMMEXJUGQD-OAGGEKHMSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000556360159 322190783 /nfs/dbraw/zinc/19/07/83/322190783.db2.gz JXGKJMMEXJUGQD-OAGGEKHMSA-N 1 3 334.464 0.426 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000561152517 322254561 /nfs/dbraw/zinc/25/45/61/322254561.db2.gz IRNIIYIVMCRDHQ-NEPJUHHUSA-N 1 3 337.390 0.216 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000561159143 322254927 /nfs/dbraw/zinc/25/49/27/322254927.db2.gz LFGHLDXGJSOOOU-HZPDHXFCSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000561159143 322254928 /nfs/dbraw/zinc/25/49/28/322254928.db2.gz LFGHLDXGJSOOOU-HZPDHXFCSA-N 1 3 338.496 0.587 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000561527984 322261572 /nfs/dbraw/zinc/26/15/72/322261572.db2.gz UMNVMOAVLGSEIZ-GDBMZVCRSA-N 1 3 339.484 0.178 20 0 ECADHO CC[NH+]1CCC(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000562294628 322269140 /nfs/dbraw/zinc/26/91/40/322269140.db2.gz GMFJWOTYYVNPTJ-INIZCTEOSA-N 1 3 339.528 0.901 20 0 ECADHO CCCN(CC(N)=O)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000563400992 322315280 /nfs/dbraw/zinc/31/52/80/322315280.db2.gz DAERVPNMAUDSOG-UHFFFAOYSA-N 1 3 338.496 0.907 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000563864030 322349127 /nfs/dbraw/zinc/34/91/27/322349127.db2.gz FVMPVDMHXYFMKY-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000565254564 322446324 /nfs/dbraw/zinc/44/63/24/322446324.db2.gz OZGVVYKBPRSPKZ-MRXNPFEDSA-N 1 3 334.464 0.993 20 0 ECADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000566258347 322519572 /nfs/dbraw/zinc/51/95/72/322519572.db2.gz SRSWBFKQEOZJQM-RHSMWYFYSA-N 1 3 340.431 0.901 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)CNCCN2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000571276975 322715867 /nfs/dbraw/zinc/71/58/67/322715867.db2.gz DQNCNHKXRKBKQM-NUJGCVRESA-N 1 3 342.528 0.072 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000572036582 322738447 /nfs/dbraw/zinc/73/84/47/322738447.db2.gz WCZHTQRKHNKUOA-JTQLQIEISA-N 1 3 326.422 0.829 20 0 ECADHO C[NH+](C)CC1(NC(=O)Nc2cnc(N3CCNCC3)nc2)CCC1 ZINC000574425121 322779119 /nfs/dbraw/zinc/77/91/19/322779119.db2.gz SURPPLAYHMPBAA-UHFFFAOYSA-N 1 3 333.440 0.492 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000126753703 545770787 /nfs/dbraw/zinc/77/07/87/545770787.db2.gz LHFYVHFURPUMSE-BZUAXINKSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000126753703 545770796 /nfs/dbraw/zinc/77/07/96/545770796.db2.gz LHFYVHFURPUMSE-BZUAXINKSA-N 1 3 337.512 0.794 20 0 ECADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000212917471 545918336 /nfs/dbraw/zinc/91/83/36/545918336.db2.gz TUSHFGSCDKINJY-ZWKOTPCHSA-N 1 3 331.460 0.876 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415655039 546207517 /nfs/dbraw/zinc/20/75/17/546207517.db2.gz SLPQFMIHICXFIG-ZFWWWQNUSA-N 1 3 348.447 0.952 20 0 ECADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000620624101 546439323 /nfs/dbraw/zinc/43/93/23/546439323.db2.gz NSLKBTXEZLWEMA-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000620624101 546439328 /nfs/dbraw/zinc/43/93/28/546439328.db2.gz NSLKBTXEZLWEMA-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621844821 546575487 /nfs/dbraw/zinc/57/54/87/546575487.db2.gz XPVJLDBCILJAMZ-LPHOPBHVSA-N 1 3 344.459 0.704 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622030444 546612560 /nfs/dbraw/zinc/61/25/60/546612560.db2.gz WLNMMOOJSHXBEG-JTOWHCCKSA-N 1 3 334.464 0.411 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622030445 546612633 /nfs/dbraw/zinc/61/26/33/546612633.db2.gz WLNMMOOJSHXBEG-KRXQYRFLSA-N 1 3 334.464 0.411 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000661036786 547449607 /nfs/dbraw/zinc/44/96/07/547449607.db2.gz MDMRILLASBZBKG-HOTGVXAUSA-N 1 3 325.501 0.796 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000661036786 547449610 /nfs/dbraw/zinc/44/96/10/547449610.db2.gz MDMRILLASBZBKG-HOTGVXAUSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ncn(C)n1 ZINC000664718462 547462496 /nfs/dbraw/zinc/46/24/96/547462496.db2.gz KHIPARQOAFTANV-QWHCGFSZSA-N 1 3 325.461 0.447 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ncn(C)n1 ZINC000664718462 547462499 /nfs/dbraw/zinc/46/24/99/547462499.db2.gz KHIPARQOAFTANV-QWHCGFSZSA-N 1 3 325.461 0.447 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000667404189 547516274 /nfs/dbraw/zinc/51/62/74/547516274.db2.gz FGVUVNVWRVKUOT-CZUORRHYSA-N 1 3 348.447 0.570 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000668538186 547680622 /nfs/dbraw/zinc/68/06/22/547680622.db2.gz VYKROCPJEDIGRO-MRXNPFEDSA-N 1 3 336.480 0.578 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(CC)C1 ZINC000668548712 547683767 /nfs/dbraw/zinc/68/37/67/547683767.db2.gz OKXWJXIHQIIPPR-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCN(CC)C1 ZINC000668548712 547683770 /nfs/dbraw/zinc/68/37/70/547683770.db2.gz OKXWJXIHQIIPPR-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@H]1CCN(CC)C1 ZINC000668581865 547692097 /nfs/dbraw/zinc/69/20/97/547692097.db2.gz MVMRJVOQWZZCEX-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000668584740 547693552 /nfs/dbraw/zinc/69/35/52/547693552.db2.gz DTBNRHLMGQCSOU-SOUVJXGZSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000668584740 547693555 /nfs/dbraw/zinc/69/35/55/547693555.db2.gz DTBNRHLMGQCSOU-SOUVJXGZSA-N 1 3 336.480 0.718 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@@H]2CCNC2=O)cc1 ZINC000668641102 547710326 /nfs/dbraw/zinc/71/03/26/547710326.db2.gz XMASDXDBNWCSSY-OAHLLOKOSA-N 1 3 344.415 0.587 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000668657525 547715713 /nfs/dbraw/zinc/71/57/13/547715713.db2.gz RTIOFIGFQGVQSN-AWEZNQCLSA-N 1 3 336.480 0.720 20 0 ECADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000668657525 547715717 /nfs/dbraw/zinc/71/57/17/547715717.db2.gz RTIOFIGFQGVQSN-AWEZNQCLSA-N 1 3 336.480 0.720 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669452028 547890735 /nfs/dbraw/zinc/89/07/35/547890735.db2.gz XNHRDJPODWUXLS-HOTGVXAUSA-N 1 3 326.485 0.986 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1(C)C ZINC000669580078 547908734 /nfs/dbraw/zinc/90/87/34/547908734.db2.gz CHEOHLQXGKRWMY-SFHVURJKSA-N 1 3 337.512 0.798 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000670983731 548075113 /nfs/dbraw/zinc/07/51/13/548075113.db2.gz CUBSJKBMAZSENO-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000670997049 548077745 /nfs/dbraw/zinc/07/77/45/548077745.db2.gz UKHLCHBPPAFBQB-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000671849158 548234662 /nfs/dbraw/zinc/23/46/62/548234662.db2.gz ANYWMRCTJUAZOD-INIZCTEOSA-N 1 3 336.480 0.435 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672312289 548308963 /nfs/dbraw/zinc/30/89/63/548308963.db2.gz BAGQTRNBDTUWTJ-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000672593555 548358147 /nfs/dbraw/zinc/35/81/47/548358147.db2.gz XWQMTLHSGSRPOS-FPCVCCKLSA-N 1 3 336.480 0.671 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000672593555 548358150 /nfs/dbraw/zinc/35/81/50/548358150.db2.gz XWQMTLHSGSRPOS-FPCVCCKLSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C ZINC000672593562 548358168 /nfs/dbraw/zinc/35/81/68/548358168.db2.gz XWVVRXDMXXZPHN-YZDRTPDPSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C ZINC000672593562 548358173 /nfs/dbraw/zinc/35/81/73/548358173.db2.gz XWVVRXDMXXZPHN-YZDRTPDPSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000672593742 548358375 /nfs/dbraw/zinc/35/83/75/548358375.db2.gz OYNVOLVKYRXKBK-HUUCEWRRSA-N 1 3 345.447 0.329 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000672593742 548358381 /nfs/dbraw/zinc/35/83/81/548358381.db2.gz OYNVOLVKYRXKBK-HUUCEWRRSA-N 1 3 345.447 0.329 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000672695705 548373605 /nfs/dbraw/zinc/37/36/05/548373605.db2.gz SQVMBBXMZXBJJB-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000672695705 548373608 /nfs/dbraw/zinc/37/36/08/548373608.db2.gz SQVMBBXMZXBJJB-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO Cc1ccncc1[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673191041 548460924 /nfs/dbraw/zinc/46/09/24/548460924.db2.gz CTEHYTWLGIFZMM-HNNXBMFYSA-N 1 3 349.479 0.519 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C1 ZINC000676046988 548784264 /nfs/dbraw/zinc/78/42/64/548784264.db2.gz YBCBVRGYJMEEKL-KGLIPLIRSA-N 1 3 346.493 0.958 20 0 ECADHO CN(C(=O)[C@@H]1CN2CCN1CCC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000677911834 548972647 /nfs/dbraw/zinc/97/26/47/548972647.db2.gz IGQUFMANPSLTTD-MSOLQXFVSA-N 1 3 349.523 0.003 20 0 ECADHO CN(C(=O)[C@@H]1CN2CCN1CCC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000677911834 548972669 /nfs/dbraw/zinc/97/26/69/548972669.db2.gz IGQUFMANPSLTTD-MSOLQXFVSA-N 1 3 349.523 0.003 20 0 ECADHO C[NH+](C)CCN1C(=O)C[C@H](N2CCC[C@H](C[C@@H]3CCOC3)C2)C1=O ZINC000678611491 549038399 /nfs/dbraw/zinc/03/83/99/549038399.db2.gz QHGYBOPFUWUVKW-PMPSAXMXSA-N 1 3 337.464 0.814 20 0 ECADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000685233522 549669033 /nfs/dbraw/zinc/66/90/33/549669033.db2.gz SGTSKQSJLZGDSW-HUUCEWRRSA-N 1 3 342.484 0.012 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=S)NCC1CC[NH+](C)CC1 ZINC000760484822 579511186 /nfs/dbraw/zinc/51/11/86/579511186.db2.gz SEKNVCTUPYCXOG-OAHLLOKOSA-N 1 3 328.526 0.903 20 0 ECADHO CN(CN1C(=O)NC2(CCN(C)CC2)C1=O)CC1([NH+](C)C)CCC1 ZINC000783548969 578742584 /nfs/dbraw/zinc/74/25/84/578742584.db2.gz YMYZUGSZNDNPEW-UHFFFAOYSA-N 1 3 337.468 0.376 20 0 ECADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841051373 588976638 /nfs/dbraw/zinc/97/66/38/588976638.db2.gz QQIWXIWQEUZFDW-ZDUSSCGKSA-N 1 3 330.432 0.871 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841102135 588978304 /nfs/dbraw/zinc/97/83/04/588978304.db2.gz CWARNBQXQHFYNR-UHFFFAOYSA-N 1 3 334.420 0.517 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)CC[NH2+]C)cc2)CC1 ZINC000841202670 588981955 /nfs/dbraw/zinc/98/19/55/588981955.db2.gz HHTGEMTYCUHPLM-UHFFFAOYSA-N 1 3 347.463 0.445 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841791138 589001280 /nfs/dbraw/zinc/00/12/80/589001280.db2.gz NTUASDNYTBYLOD-QBPKDAKJSA-N 1 3 336.480 0.881 20 0 ECADHO C[C@@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)CN1CCN(C)CC1 ZINC000841836993 589002426 /nfs/dbraw/zinc/00/24/26/589002426.db2.gz HGDQABBXNJQKFD-INIZCTEOSA-N 1 3 347.507 0.871 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000842190547 589019154 /nfs/dbraw/zinc/01/91/54/589019154.db2.gz ULFFQVGLQVLZSK-BEFAXECRSA-N 1 3 346.475 0.868 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000842188839 589019382 /nfs/dbraw/zinc/01/93/82/589019382.db2.gz KYIKMJBGYBAJJX-HNAYVOBHSA-N 1 3 346.475 0.726 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000842223603 589021853 /nfs/dbraw/zinc/02/18/53/589021853.db2.gz LXHWRXHZFWHBBY-KRWDZBQOSA-N 1 3 346.475 0.488 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000842225779 589022251 /nfs/dbraw/zinc/02/22/51/589022251.db2.gz CNZPTFLORGALKR-QGZVFWFLSA-N 1 3 346.475 0.473 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000842256110 589025007 /nfs/dbraw/zinc/02/50/07/589025007.db2.gz KMPPAICUKINEFX-KRWDZBQOSA-N 1 3 346.475 0.473 20 0 ECADHO COC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCOC1 ZINC000891181003 586086650 /nfs/dbraw/zinc/08/66/50/586086650.db2.gz KPHYDPKTMSIZFD-JKSUJKDBSA-N 1 3 344.500 0.563 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000891577385 586178937 /nfs/dbraw/zinc/17/89/37/586178937.db2.gz RFVJUPXHYBGOLV-MRXNPFEDSA-N 1 3 332.448 0.852 20 0 ECADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CCN(CC2CC2)C1 ZINC000891575096 586178978 /nfs/dbraw/zinc/17/89/78/586178978.db2.gz DMYPIVYNQCAZSF-CVEARBPZSA-N 1 3 336.480 0.929 20 0 ECADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CCN(CC2CC2)C1 ZINC000891575104 586179056 /nfs/dbraw/zinc/17/90/56/586179056.db2.gz DMYPIVYNQCAZSF-HZPDHXFCSA-N 1 3 336.480 0.929 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891710083 586191021 /nfs/dbraw/zinc/19/10/21/586191021.db2.gz GMMWIMYTRWNCDM-SJORKVTESA-N 1 3 336.480 0.854 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000892086467 586220814 /nfs/dbraw/zinc/22/08/14/586220814.db2.gz MMUHWYQHSOGQFL-INIZCTEOSA-N 1 3 332.448 0.934 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C[NH+]1CCCC1 ZINC000892118040 586222786 /nfs/dbraw/zinc/22/27/86/586222786.db2.gz SVQOXCSHXNCHOK-BRWVUGGUSA-N 1 3 338.496 0.959 20 0 ECADHO O=C(NCc1cccc2c1CC[NH2+]C2)N[C@@H]1CCCN(CCCO)C1 ZINC000892332209 586252354 /nfs/dbraw/zinc/25/23/54/586252354.db2.gz MCNNBTBKKJVCGH-QGZVFWFLSA-N 1 3 346.475 0.978 20 0 ECADHO CCO[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C[NH+](C)C ZINC000896682759 586266481 /nfs/dbraw/zinc/26/64/81/586266481.db2.gz NOILXBTYWBSYQX-OAGGEKHMSA-N 1 3 342.484 0.194 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)C[C@]2(C)C1 ZINC000896748663 586270510 /nfs/dbraw/zinc/27/05/10/586270510.db2.gz LAAKKMFPIFORPU-KYJSFNMBSA-N 1 3 336.480 0.833 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)C[C@]2(C)C1 ZINC000896748663 586270513 /nfs/dbraw/zinc/27/05/13/586270513.db2.gz LAAKKMFPIFORPU-KYJSFNMBSA-N 1 3 336.480 0.833 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892693051 586283806 /nfs/dbraw/zinc/28/38/06/586283806.db2.gz AMCVEAFGGXQRMY-XHSDSOJGSA-N 1 3 326.485 0.957 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892693051 586283809 /nfs/dbraw/zinc/28/38/09/586283809.db2.gz AMCVEAFGGXQRMY-XHSDSOJGSA-N 1 3 326.485 0.957 20 0 ECADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H](N2CC=CC2)C1 ZINC000892780697 586290177 /nfs/dbraw/zinc/29/01/77/586290177.db2.gz UDTVDIIIMLBNAI-HOTGVXAUSA-N 1 3 334.464 0.801 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000893236895 586318191 /nfs/dbraw/zinc/31/81/91/586318191.db2.gz DUXLIYWGPCPZGW-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000893236895 586318193 /nfs/dbraw/zinc/31/81/93/586318193.db2.gz DUXLIYWGPCPZGW-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000893239140 586318496 /nfs/dbraw/zinc/31/84/96/586318496.db2.gz RZCDTQUSYZDUFW-IKGGRYGDSA-N 1 3 337.512 0.606 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000893239140 586318498 /nfs/dbraw/zinc/31/84/98/586318498.db2.gz RZCDTQUSYZDUFW-IKGGRYGDSA-N 1 3 337.512 0.606 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894521340 586397351 /nfs/dbraw/zinc/39/73/51/586397351.db2.gz NKOGOUUOMBRIHM-PMPSAXMXSA-N 1 3 326.485 0.957 20 0 ECADHO COC(=O)[C@H]1[C@@H](CN(C)CCN(C)C2CC[NH+](C)CC2)C1(F)F ZINC000894766798 586411094 /nfs/dbraw/zinc/41/10/94/586411094.db2.gz SDGOOBCQTOZTPT-ZIAGYGMSSA-N 1 3 333.423 0.999 20 0 ECADHO O=c1ccn(CCC[NH2+]C2CCN(c3ccncc3)CC2)c(=O)[nH]1 ZINC000898330137 586415940 /nfs/dbraw/zinc/41/59/40/586415940.db2.gz OHEMYTGNSWOZSL-UHFFFAOYSA-N 1 3 329.404 0.993 20 0 ECADHO COc1nn(C)cc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000898564119 586433335 /nfs/dbraw/zinc/43/33/35/586433335.db2.gz QPIWANSWBATULL-UHFFFAOYSA-N 1 3 326.445 0.064 20 0 ECADHO CC1(C)CC[N@H+](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000898590472 586434362 /nfs/dbraw/zinc/43/43/62/586434362.db2.gz HSDFAFKKMTYQNJ-OAHLLOKOSA-N 1 3 326.485 0.864 20 0 ECADHO CC1(C)CC[N@@H+](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000898590472 586434363 /nfs/dbraw/zinc/43/43/63/586434363.db2.gz HSDFAFKKMTYQNJ-OAHLLOKOSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)C1 ZINC000900418675 586630891 /nfs/dbraw/zinc/63/08/91/586630891.db2.gz QEMMZILXWUHMIB-WMZOPIPTSA-N 1 3 339.480 0.547 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCCCCC[NH3+])N1CCC(C)CC1 ZINC000843261565 589058043 /nfs/dbraw/zinc/05/80/43/589058043.db2.gz KOMRCIGCGNYTHI-HNNXBMFYSA-N 1 3 326.485 0.858 20 0 ECADHO CCO[C@H](CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)CN(C)C ZINC000900691656 586656987 /nfs/dbraw/zinc/65/69/87/586656987.db2.gz OBYBPBKMUSCBPY-CVEARBPZSA-N 1 3 329.485 0.863 20 0 ECADHO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)CC1 ZINC000900800763 586668861 /nfs/dbraw/zinc/66/88/61/586668861.db2.gz AUJJYVMGZOMWPT-DLBZAZTESA-N 1 3 339.528 0.153 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000901137682 586697398 /nfs/dbraw/zinc/69/73/98/586697398.db2.gz LDCZJIUWRABMBG-DOTOQJQBSA-N 1 3 327.469 0.186 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000901137682 586697399 /nfs/dbraw/zinc/69/73/99/586697399.db2.gz LDCZJIUWRABMBG-DOTOQJQBSA-N 1 3 327.469 0.186 20 0 ECADHO CCOC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000903744848 586807898 /nfs/dbraw/zinc/80/78/98/586807898.db2.gz XXLAZMCNQZIRTA-JONQDZQNSA-N 1 3 337.464 0.766 20 0 ECADHO COC(=O)c1cn([C@@H]2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC000903759528 586807936 /nfs/dbraw/zinc/80/79/36/586807936.db2.gz RBUJPLOQBGDFGK-IOASZLSFSA-N 1 3 335.408 0.080 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000903783445 586815123 /nfs/dbraw/zinc/81/51/23/586815123.db2.gz SQOLKFILAZMJCB-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000903843048 586819785 /nfs/dbraw/zinc/81/97/85/586819785.db2.gz AXXZNZYCGOFDQW-JYJNAYRXSA-N 1 3 344.463 0.327 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCNC[C@@H]2c2nccn2C)cnn1C ZINC000903918424 586825855 /nfs/dbraw/zinc/82/58/55/586825855.db2.gz ZIWAPJFNURWGBY-GOEBONIOSA-N 1 3 331.468 0.226 20 0 ECADHO [NH3+]CC[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C(F)(F)F ZINC000904515918 586839603 /nfs/dbraw/zinc/83/96/03/586839603.db2.gz QNXPMSNHYACWOJ-UTUOFQBUSA-N 1 3 338.374 0.507 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904649880 586841483 /nfs/dbraw/zinc/84/14/83/586841483.db2.gz YADVKJDDWDFKPQ-INIZCTEOSA-N 1 3 345.447 0.916 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]2CC[C@@]21CN ZINC000904971875 586851618 /nfs/dbraw/zinc/85/16/18/586851618.db2.gz KBGFPQFUJCIETE-RDTXWAMCSA-N 1 3 338.496 0.763 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000905000049 586857695 /nfs/dbraw/zinc/85/76/95/586857695.db2.gz IQDMYXXBDRHWRS-KBXCAEBGSA-N 1 3 343.431 0.070 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000905005755 586858653 /nfs/dbraw/zinc/85/86/53/586858653.db2.gz FWTFURLCEUXJEY-RVKKMQEKSA-N 1 3 334.464 0.413 20 0 ECADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000905006086 586859045 /nfs/dbraw/zinc/85/90/45/586859045.db2.gz AIOHIUMACWLZRP-SFHVURJKSA-N 1 3 343.431 0.085 20 0 ECADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CCC[C@@]12CC[NH2+]C2 ZINC000905010401 586860561 /nfs/dbraw/zinc/86/05/61/586860561.db2.gz GYCGTDQXIBRCGO-QAPCUYQASA-N 1 3 334.464 0.428 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000905010811 586860890 /nfs/dbraw/zinc/86/08/90/586860890.db2.gz UQWDWIJVZOTNRW-RLFYNMQTSA-N 1 3 334.464 0.413 20 0 ECADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)CCC3(O)CCC3)C2)CC1 ZINC000905109790 586871187 /nfs/dbraw/zinc/87/11/87/586871187.db2.gz MZOAMHDLQOFKGM-WBVHZDCISA-N 1 3 325.497 0.801 20 0 ECADHO O=C1COc2ccccc2CN1CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000905516594 586899039 /nfs/dbraw/zinc/89/90/39/586899039.db2.gz MMRSHLQDLBWQHI-MRXNPFEDSA-N 1 3 333.432 0.454 20 0 ECADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)n1 ZINC000906735938 586973189 /nfs/dbraw/zinc/97/31/89/586973189.db2.gz RKFNGTQDNXBERC-CYBMUJFWSA-N 1 3 336.440 0.032 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817901343 587391079 /nfs/dbraw/zinc/39/10/79/587391079.db2.gz CBABSBDHKATZBD-MWLCHTKSSA-N 1 3 329.388 0.888 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@]4(CCC[NH2+]4)C3)C2)C1 ZINC000817993897 587395553 /nfs/dbraw/zinc/39/55/53/587395553.db2.gz SSJOHXWVFQZTMC-ZWKOTPCHSA-N 1 3 334.464 0.285 20 0 ECADHO O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000844170231 589098270 /nfs/dbraw/zinc/09/82/70/589098270.db2.gz HMCJKGXTUIIDBM-UKRRQHHQSA-N 1 3 347.463 0.860 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCCCCC[NH3+])CC1=O ZINC000844200329 589102736 /nfs/dbraw/zinc/10/27/36/589102736.db2.gz QDDMNXSHBZXSJT-HZPDHXFCSA-N 1 3 338.496 0.955 20 0 ECADHO COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1C ZINC000820080696 587507709 /nfs/dbraw/zinc/50/77/09/587507709.db2.gz ISEQNDKXBKIDNY-SOUVJXGZSA-N 1 3 342.484 0.851 20 0 ECADHO COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1C ZINC000820080696 587507711 /nfs/dbraw/zinc/50/77/11/587507711.db2.gz ISEQNDKXBKIDNY-SOUVJXGZSA-N 1 3 342.484 0.851 20 0 ECADHO CN(C)C1(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC1 ZINC000840492405 587913416 /nfs/dbraw/zinc/91/34/16/587913416.db2.gz VQLZFPHDPDCPEO-UHFFFAOYSA-N 1 3 338.496 0.384 20 0 ECADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000826823307 588085340 /nfs/dbraw/zinc/08/53/40/588085340.db2.gz ZVRBJBQHKCJCEU-LSDHHAIUSA-N 1 3 341.500 0.868 20 0 ECADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000826823307 588085342 /nfs/dbraw/zinc/08/53/42/588085342.db2.gz ZVRBJBQHKCJCEU-LSDHHAIUSA-N 1 3 341.500 0.868 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCO1 ZINC000846226478 589192333 /nfs/dbraw/zinc/19/23/33/589192333.db2.gz ZBYAXFYJPPHFHC-QKPAOTATSA-N 1 3 325.453 0.452 20 0 ECADHO C[NH+](C)CCCCCCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847297992 589240556 /nfs/dbraw/zinc/24/05/56/589240556.db2.gz HYXYOCXMORJBCR-JKSUJKDBSA-N 1 3 326.485 0.959 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NCCN1CCOCC1 ZINC000849274941 589324432 /nfs/dbraw/zinc/32/44/32/589324432.db2.gz FAEWUCBKCPZWMR-HNNXBMFYSA-N 1 3 345.557 0.055 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NCCN1CCOCC1 ZINC000849274941 589324434 /nfs/dbraw/zinc/32/44/34/589324434.db2.gz FAEWUCBKCPZWMR-HNNXBMFYSA-N 1 3 345.557 0.055 20 0 ECADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC000849554506 589340218 /nfs/dbraw/zinc/34/02/18/589340218.db2.gz SQZOQLQTWDPZMF-OIISXLGYSA-N 1 3 333.480 0.913 20 0 ECADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC000849554506 589340219 /nfs/dbraw/zinc/34/02/19/589340219.db2.gz SQZOQLQTWDPZMF-OIISXLGYSA-N 1 3 333.480 0.913 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852863871 589519426 /nfs/dbraw/zinc/51/94/26/589519426.db2.gz SOSZQRUXOPYBDQ-RBSFLKMASA-N 1 3 337.468 0.107 20 0 ECADHO CN(C)CCOc1ccc(N(C)C(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000852866409 589519801 /nfs/dbraw/zinc/51/98/01/589519801.db2.gz WSGZWRIPJFJNDK-UHFFFAOYSA-N 1 3 332.408 0.454 20 0 ECADHO COC1CC[NH+](C2(CNC(=O)C3=NO[C@H](CN)C3)CCCC2)CC1 ZINC000852867466 589519878 /nfs/dbraw/zinc/51/98/78/589519878.db2.gz VWNPVWSMNCWWNG-AWEZNQCLSA-N 1 3 338.452 0.630 20 0 ECADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C3=NO[C@H](CN)C3)cc2)CC1 ZINC000852873317 589520912 /nfs/dbraw/zinc/52/09/12/589520912.db2.gz RLCLZTSPCWMBEC-HNNXBMFYSA-N 1 3 331.420 0.871 20 0 ECADHO C[N@H+]1CCCN(c2ccc(NC(=O)C3=NO[C@H](CN)C3)cc2)CC1 ZINC000852873317 589520914 /nfs/dbraw/zinc/52/09/14/589520914.db2.gz RLCLZTSPCWMBEC-HNNXBMFYSA-N 1 3 331.420 0.871 20 0 ECADHO CCn1nc(C)c(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000854187023 589574681 /nfs/dbraw/zinc/57/46/81/589574681.db2.gz FQDLHDVPNZNFKU-ZDUSSCGKSA-N 1 3 339.488 0.678 20 0 ECADHO CCn1nc(C)c(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000854187023 589574683 /nfs/dbraw/zinc/57/46/83/589574683.db2.gz FQDLHDVPNZNFKU-ZDUSSCGKSA-N 1 3 339.488 0.678 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1NCCc2ccccc21 ZINC000866764213 589771218 /nfs/dbraw/zinc/77/12/18/589771218.db2.gz LOTURVXQZUMZHC-INIZCTEOSA-N 1 3 338.477 0.392 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000861757250 589888230 /nfs/dbraw/zinc/88/82/30/589888230.db2.gz PPFDVWFBFRIDNB-AWEZNQCLSA-N 1 3 332.448 0.357 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000868282949 589888392 /nfs/dbraw/zinc/88/83/92/589888392.db2.gz LQYNFQYCZXQDQH-KRWDZBQOSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000868282949 589888394 /nfs/dbraw/zinc/88/83/94/589888394.db2.gz LQYNFQYCZXQDQH-KRWDZBQOSA-N 1 3 349.523 0.892 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CCN(c2ccncc2)CC1 ZINC000868418146 589904293 /nfs/dbraw/zinc/90/42/93/589904293.db2.gz JFYNQCLLQLJKKP-HOTGVXAUSA-N 1 3 343.431 0.083 20 0 ECADHO C[C@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C[NH+](C)C ZINC000868514665 589911484 /nfs/dbraw/zinc/91/14/84/589911484.db2.gz YWYNHIKFSZEKOO-OLZOCXBDSA-N 1 3 330.473 0.755 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000864396446 590081000 /nfs/dbraw/zinc/08/10/00/590081000.db2.gz JVSFIWGEUFNRKU-AWEZNQCLSA-N 1 3 342.484 0.994 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)[NH+](C)C ZINC000864526249 590085159 /nfs/dbraw/zinc/08/51/59/590085159.db2.gz VEPNNVFSOPQIIO-LBPRGKRZSA-N 1 3 330.473 0.898 20 0 ECADHO [NH3+]C[C@@H]1CN(S(=O)(=O)CCCN2CCCC2)C[C@@H]1C(F)(F)F ZINC000871813382 590088929 /nfs/dbraw/zinc/08/89/29/590088929.db2.gz RDMPJDVJUGUODZ-NEPJUHHUSA-N 1 3 343.415 0.871 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCCC[C@H](N3CCCC3)C1)C2 ZINC000872190897 590101487 /nfs/dbraw/zinc/10/14/87/590101487.db2.gz UAWAEGVOPLDBAU-TXPKVOOTSA-N 1 3 348.491 0.531 20 0 ECADHO CN1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCN2C2CCCCCC2)CC1 ZINC000872236866 590107352 /nfs/dbraw/zinc/10/73/52/590107352.db2.gz UWXGLSSOFUATSG-MOPGFXCFSA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000872236866 590107355 /nfs/dbraw/zinc/10/73/55/590107355.db2.gz UWXGLSSOFUATSG-MOPGFXCFSA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000872236866 590107358 /nfs/dbraw/zinc/10/73/58/590107358.db2.gz UWXGLSSOFUATSG-MOPGFXCFSA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCN2C2CCCCCC2)CC1 ZINC000872236867 590107796 /nfs/dbraw/zinc/10/77/96/590107796.db2.gz UWXGLSSOFUATSG-OALUTQOASA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000872236867 590107798 /nfs/dbraw/zinc/10/77/98/590107798.db2.gz UWXGLSSOFUATSG-OALUTQOASA-N 1 3 338.540 0.981 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000872236867 590107800 /nfs/dbraw/zinc/10/78/00/590107800.db2.gz UWXGLSSOFUATSG-OALUTQOASA-N 1 3 338.540 0.981 20 0 ECADHO COCC[C@H](C[NH2+]CC1(O)CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000865472770 590146853 /nfs/dbraw/zinc/14/68/53/590146853.db2.gz FTUJJZRBYAQDHJ-CQSZACIVSA-N 1 3 345.484 0.963 20 0 ECADHO COC(=O)CC[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000873228162 590187215 /nfs/dbraw/zinc/18/72/15/590187215.db2.gz AKNFZHSOWKYETA-HUUCEWRRSA-N 1 3 325.453 0.849 20 0 ECADHO COC(=O)CC[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000873228162 590187217 /nfs/dbraw/zinc/18/72/17/590187217.db2.gz AKNFZHSOWKYETA-HUUCEWRRSA-N 1 3 325.453 0.849 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000875021603 590263304 /nfs/dbraw/zinc/26/33/04/590263304.db2.gz LPHZTBSGSXHEOU-BBRMVZONSA-N 1 3 334.464 0.282 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000875021603 590263305 /nfs/dbraw/zinc/26/33/05/590263305.db2.gz LPHZTBSGSXHEOU-BBRMVZONSA-N 1 3 334.464 0.282 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1(C)C ZINC000875099472 590270873 /nfs/dbraw/zinc/27/08/73/590270873.db2.gz QJHRVSFCQRXHJO-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCC1(C)C ZINC000875099472 590270875 /nfs/dbraw/zinc/27/08/75/590270875.db2.gz QJHRVSFCQRXHJO-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CCC1(C)C ZINC000875403109 590299469 /nfs/dbraw/zinc/29/94/69/590299469.db2.gz LCTUEKHPQFRGOF-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CCC1(C)C ZINC000875403109 590299471 /nfs/dbraw/zinc/29/94/71/590299471.db2.gz LCTUEKHPQFRGOF-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO COC(=O)C1=CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000875804470 590333847 /nfs/dbraw/zinc/33/38/47/590333847.db2.gz XZLLFJWCJDUNPY-AWEZNQCLSA-N 1 3 326.441 0.383 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000876298613 590371928 /nfs/dbraw/zinc/37/19/28/590371928.db2.gz WTGDWMGJMVQSMO-JKSUJKDBSA-N 1 3 326.485 0.936 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000876743863 590407987 /nfs/dbraw/zinc/40/79/87/590407987.db2.gz JMZQNNXNWWQIEK-PVAVHDDUSA-N 1 3 333.432 0.544 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000876743863 590407990 /nfs/dbraw/zinc/40/79/90/590407990.db2.gz JMZQNNXNWWQIEK-PVAVHDDUSA-N 1 3 333.432 0.544 20 0 ECADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCCN1CCN(C)CC1 ZINC000876779934 590413721 /nfs/dbraw/zinc/41/37/21/590413721.db2.gz OJDRXWFWJYVXBL-MRXNPFEDSA-N 1 3 348.495 0.483 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2nncn2CC1 ZINC000880664521 590414860 /nfs/dbraw/zinc/41/48/60/590414860.db2.gz SKFQRTCKJDSSKV-GJZGRUSLSA-N 1 3 336.484 0.619 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2nncn2CC1 ZINC000880664521 590414862 /nfs/dbraw/zinc/41/48/62/590414862.db2.gz SKFQRTCKJDSSKV-GJZGRUSLSA-N 1 3 336.484 0.619 20 0 ECADHO C[S@@](=O)C1(C(=O)NC[C@@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000876846749 590418980 /nfs/dbraw/zinc/41/89/80/590418980.db2.gz SMCZLYBAHHMCTC-NPMXOYFQSA-N 1 3 335.473 0.490 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000877008851 590433269 /nfs/dbraw/zinc/43/32/69/590433269.db2.gz AODCSNAOWGOTSP-ZFWWWQNUSA-N 1 3 336.411 0.864 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)C2(S(C)(=O)=O)CCNCC2)[NH2+]C1 ZINC000877153459 590441216 /nfs/dbraw/zinc/44/12/16/590441216.db2.gz VZTYSXGTLVCELJ-GFCCVEGCSA-N 1 3 331.482 0.048 20 0 ECADHO COc1ccc([C@@H]2CN(C(=O)c3[nH]nc4c3CNCC4)C[C@H]2[NH3+])cc1 ZINC000877237883 590447786 /nfs/dbraw/zinc/44/77/86/590447786.db2.gz NGATVMQQTBXKGC-LSDHHAIUSA-N 1 3 341.415 0.631 20 0 ECADHO COC[C@@]1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCCCN1 ZINC000877326786 590457480 /nfs/dbraw/zinc/45/74/80/590457480.db2.gz GHYZRUZYYPVOMF-RHSMWYFYSA-N 1 3 325.453 0.420 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C1(n2cccn2)CC[NH2+]CC1 ZINC000877344345 590459533 /nfs/dbraw/zinc/45/95/33/590459533.db2.gz XMKCAVDXYQAWRO-KRWDZBQOSA-N 1 3 339.443 0.793 20 0 ECADHO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)n1 ZINC000878807661 590544221 /nfs/dbraw/zinc/54/42/21/590544221.db2.gz GJUOUCOKFYSITA-ZDUSSCGKSA-N 1 3 338.456 0.411 20 0 ECADHO COC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCCOC1 ZINC000883186036 590608331 /nfs/dbraw/zinc/60/83/31/590608331.db2.gz JINPYOSDCKNRJG-OAGGEKHMSA-N 1 3 327.469 0.605 20 0 ECADHO COC[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCCOC1 ZINC000883186036 590608332 /nfs/dbraw/zinc/60/83/32/590608332.db2.gz JINPYOSDCKNRJG-OAGGEKHMSA-N 1 3 327.469 0.605 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000883638703 590636465 /nfs/dbraw/zinc/63/64/65/590636465.db2.gz UNMKDDYPGHCISM-GDBMZVCRSA-N 1 3 345.447 0.329 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CCN1c1ccncc1 ZINC000883639701 590637379 /nfs/dbraw/zinc/63/73/79/590637379.db2.gz WNSRXGOGTVKCTQ-RDTXWAMCSA-N 1 3 345.447 0.316 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCC([NH3+])CC2)CCN1c1ccncc1 ZINC000883639605 590637579 /nfs/dbraw/zinc/63/75/79/590637579.db2.gz UDUKCRJQOLBINS-ZDUSSCGKSA-N 1 3 331.420 0.068 20 0 ECADHO CN(C(=O)C(=O)N1CCC(C[NH+](C)C)CC1)C1(CN)CCCCC1 ZINC000883653039 590643199 /nfs/dbraw/zinc/64/31/99/590643199.db2.gz KEYGBTWQXWSINV-UHFFFAOYSA-N 1 3 338.496 0.907 20 0 ECADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885152915 590688915 /nfs/dbraw/zinc/68/89/15/590688915.db2.gz ZLZAFFPQYOLZQV-IAGOWNOFSA-N 1 3 344.459 0.370 20 0 ECADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885152915 590688917 /nfs/dbraw/zinc/68/89/17/590688917.db2.gz ZLZAFFPQYOLZQV-IAGOWNOFSA-N 1 3 344.459 0.370 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885156284 590689685 /nfs/dbraw/zinc/68/96/85/590689685.db2.gz QCKYQTBFLYIVDU-IAGOWNOFSA-N 1 3 344.459 0.418 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885156284 590689686 /nfs/dbraw/zinc/68/96/86/590689686.db2.gz QCKYQTBFLYIVDU-IAGOWNOFSA-N 1 3 344.459 0.418 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)c2ccnc(N3CCNCC3)c2)CC1 ZINC000884040244 590713113 /nfs/dbraw/zinc/71/31/13/590713113.db2.gz NWMJITVYVPXVSO-UHFFFAOYSA-N 1 3 331.464 0.953 20 0 ECADHO C[NH2+]CCOc1cccc(C(=O)NCCCN2CCC(O)CC2)c1 ZINC000884189300 590768572 /nfs/dbraw/zinc/76/85/72/590768572.db2.gz BPUKYBZLRVOQTI-UHFFFAOYSA-N 1 3 335.448 0.861 20 0 ECADHO CN(C(=O)c1ccnc(N2CC[NH2+]CC2)c1)[C@@H]1CN2CCC1CC2 ZINC000884453494 590831887 /nfs/dbraw/zinc/83/18/87/590831887.db2.gz QOGKUBVAESJVGQ-MRXNPFEDSA-N 1 3 329.448 0.657 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000884502384 590844571 /nfs/dbraw/zinc/84/45/71/590844571.db2.gz IYUAIOPLKBLSQW-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884576825 590861877 /nfs/dbraw/zinc/86/18/77/590861877.db2.gz RCNFSWJBVBRTEH-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884601438 590867907 /nfs/dbraw/zinc/86/79/07/590867907.db2.gz LQTLCQDTHZVBMU-PBHICJAKSA-N 1 3 346.475 0.664 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884601438 590867910 /nfs/dbraw/zinc/86/79/10/590867910.db2.gz LQTLCQDTHZVBMU-PBHICJAKSA-N 1 3 346.475 0.664 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)N(C)C1CC1 ZINC000884617458 590873603 /nfs/dbraw/zinc/87/36/03/590873603.db2.gz MTPNNDKAMFGDGO-HOCLYGCPSA-N 1 3 346.475 0.662 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)C1=CCN(C)CC1 ZINC000884623877 590874933 /nfs/dbraw/zinc/87/49/33/590874933.db2.gz QPQBQCRPOSDEKN-HIFRSBDPSA-N 1 3 336.480 0.647 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)[NH2+]C1 ZINC000884631579 590878620 /nfs/dbraw/zinc/87/86/20/590878620.db2.gz PDTUDDCSBKWXIM-CABCVRRESA-N 1 3 336.480 0.481 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884664595 590885508 /nfs/dbraw/zinc/88/55/08/590885508.db2.gz PZUUPOOKBFNECZ-RBSFLKMASA-N 1 3 338.496 0.857 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884664092 590885686 /nfs/dbraw/zinc/88/56/86/590885686.db2.gz COGFGGCUAAOWBP-SUNYJGFJSA-N 1 3 336.480 0.291 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884659020 590885854 /nfs/dbraw/zinc/88/58/54/590885854.db2.gz GKORSQPBEIMXQN-QGZVFWFLSA-N 1 3 346.475 0.665 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884659020 590885856 /nfs/dbraw/zinc/88/58/56/590885856.db2.gz GKORSQPBEIMXQN-QGZVFWFLSA-N 1 3 346.475 0.665 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884712278 590905108 /nfs/dbraw/zinc/90/51/08/590905108.db2.gz NCYGWFHCPMTWKX-AWEZNQCLSA-N 1 3 347.463 0.752 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884720232 590908738 /nfs/dbraw/zinc/90/87/38/590908738.db2.gz IUVLHFKLVYJLNN-HUUCEWRRSA-N 1 3 347.463 0.752 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000884787555 590923175 /nfs/dbraw/zinc/92/31/75/590923175.db2.gz VNPOTCLACDUGDK-DLBZAZTESA-N 1 3 344.459 0.418 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000884787555 590923178 /nfs/dbraw/zinc/92/31/78/590923178.db2.gz VNPOTCLACDUGDK-DLBZAZTESA-N 1 3 344.459 0.418 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884834882 590931504 /nfs/dbraw/zinc/93/15/04/590931504.db2.gz GPUXIBWMKGDXLD-VYDXJSESSA-N 1 3 346.475 0.676 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884834882 590931510 /nfs/dbraw/zinc/93/15/10/590931510.db2.gz GPUXIBWMKGDXLD-VYDXJSESSA-N 1 3 346.475 0.676 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884838700 590932564 /nfs/dbraw/zinc/93/25/64/590932564.db2.gz OBSZOPDRPGLDMW-INIZCTEOSA-N 1 3 344.459 0.501 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(CC2([NH+]3CCSCC3)CCCC2)C1=O ZINC000924487735 611408253 /nfs/dbraw/zinc/40/82/53/611408253.db2.gz ONMJOLMNYMRUCI-ZDUSSCGKSA-N 1 3 340.493 0.830 20 0 ECADHO CC(C)OCC[NH+]1CCC(N2C(=O)N[C@H](CN(C)C)C2=O)CC1 ZINC000924761492 611428573 /nfs/dbraw/zinc/42/85/73/611428573.db2.gz VSYOJZOQBZPTTI-CQSZACIVSA-N 1 3 326.441 0.358 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946765240 611460624 /nfs/dbraw/zinc/46/06/24/611460624.db2.gz JOLODYCXUNKNRF-CAOSSQGBSA-N 1 3 338.496 0.617 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946765240 611460626 /nfs/dbraw/zinc/46/06/26/611460626.db2.gz JOLODYCXUNKNRF-CAOSSQGBSA-N 1 3 338.496 0.617 20 0 ECADHO C[NH+]1CCC2(CCN2C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000930957698 611489425 /nfs/dbraw/zinc/48/94/25/611489425.db2.gz NCDAWZYKTIDTFE-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000926331110 611536166 /nfs/dbraw/zinc/53/61/66/611536166.db2.gz DVMWJQQMWKBRDE-ARFHVFGLSA-N 1 3 334.464 0.284 20 0 ECADHO CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1)C[NH+](C)C ZINC000932471138 611631939 /nfs/dbraw/zinc/63/19/39/611631939.db2.gz VYRULALKFPGCEC-HUUCEWRRSA-N 1 3 342.484 0.010 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000947650207 611633450 /nfs/dbraw/zinc/63/34/50/611633450.db2.gz SUVXGBFEHWNXCX-GDBMZVCRSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000947650207 611633453 /nfs/dbraw/zinc/63/34/53/611633453.db2.gz SUVXGBFEHWNXCX-GDBMZVCRSA-N 1 3 338.496 0.632 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(Cc2cccc(OCC[NH+](C)C)c2)C1=O ZINC000924464717 608870480 /nfs/dbraw/zinc/87/04/80/608870480.db2.gz YHBSTMPCDLWSKN-OAHLLOKOSA-N 1 3 334.420 0.609 20 0 ECADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948631844 611672646 /nfs/dbraw/zinc/67/26/46/611672646.db2.gz QYYADPMSMXHUDN-NDUQDZPOSA-N 1 3 337.464 0.155 20 0 ECADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948631844 611672648 /nfs/dbraw/zinc/67/26/48/611672648.db2.gz QYYADPMSMXHUDN-NDUQDZPOSA-N 1 3 337.464 0.155 20 0 ECADHO CCO[C@H](CNC(=O)NC[C@H]1CCCCN1CCO)C[NH+](C)C ZINC000926847426 609061084 /nfs/dbraw/zinc/06/10/84/609061084.db2.gz ULLWTSFRQXEEFX-HUUCEWRRSA-N 1 3 330.473 0.099 20 0 ECADHO CN1CC[C@H]1CNC(=O)c1ccccc1CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928561041 611701358 /nfs/dbraw/zinc/70/13/58/611701358.db2.gz XXEHIMKBWKWTHW-CVEARBPZSA-N 1 3 344.459 0.483 20 0 ECADHO CN1CC[C@H]1CNC(=O)c1ccccc1CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928561041 611701359 /nfs/dbraw/zinc/70/13/59/611701359.db2.gz XXEHIMKBWKWTHW-CVEARBPZSA-N 1 3 344.459 0.483 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000913436687 609672014 /nfs/dbraw/zinc/67/20/14/609672014.db2.gz LCHDEHJWQLUBEH-IIAWOOMASA-N 1 3 345.509 0.152 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938386804 609768547 /nfs/dbraw/zinc/76/85/47/609768547.db2.gz AWIMZKAYIZJWMJ-KBPBESRZSA-N 1 3 333.436 0.320 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000938386804 609768548 /nfs/dbraw/zinc/76/85/48/609768548.db2.gz AWIMZKAYIZJWMJ-KBPBESRZSA-N 1 3 333.436 0.320 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000938386841 609768714 /nfs/dbraw/zinc/76/87/14/609768714.db2.gz CHTQWAPPDYRNGR-GJZGRUSLSA-N 1 3 345.447 0.320 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000910932812 609779252 /nfs/dbraw/zinc/77/92/52/609779252.db2.gz CPUVNTBTDJNJSP-LSDHHAIUSA-N 1 3 338.496 0.585 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)Cc1ccccc1 ZINC000910963491 609783777 /nfs/dbraw/zinc/78/37/77/609783777.db2.gz RZIDZHHNKYXKAY-MWDXBVQZSA-N 1 3 344.459 0.285 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000911027558 609791926 /nfs/dbraw/zinc/79/19/26/609791926.db2.gz DLVGSWNPULCPGV-PMPSAXMXSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911054595 609795530 /nfs/dbraw/zinc/79/55/30/609795530.db2.gz IWQBJMKWUPJOPW-QAPCUYQASA-N 1 3 336.480 0.722 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000929627757 609799864 /nfs/dbraw/zinc/79/98/64/609799864.db2.gz LACFRVWPNUISML-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)N1CCC(C)CC1 ZINC000911089847 609807867 /nfs/dbraw/zinc/80/78/67/609807867.db2.gz FNTMQWRDVAXETP-BZUAXINKSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000911161564 609817685 /nfs/dbraw/zinc/81/76/85/609817685.db2.gz LWSHUGVMMCBVSW-IIDMSEBBSA-N 1 3 336.480 0.564 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911214387 609827156 /nfs/dbraw/zinc/82/71/56/609827156.db2.gz DBRNTEBRWDCKEH-JCURWCKSSA-N 1 3 342.443 0.328 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911214387 609827159 /nfs/dbraw/zinc/82/71/59/609827159.db2.gz DBRNTEBRWDCKEH-JCURWCKSSA-N 1 3 342.443 0.328 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)C[C@]2(C)C1 ZINC000911282814 609846107 /nfs/dbraw/zinc/84/61/07/609846107.db2.gz BMCGJEJZWBMBKT-RKVPGOIHSA-N 1 3 330.432 0.213 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)C[C@]2(C)C1 ZINC000911282814 609846109 /nfs/dbraw/zinc/84/61/09/609846109.db2.gz BMCGJEJZWBMBKT-RKVPGOIHSA-N 1 3 330.432 0.213 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000911313126 609851861 /nfs/dbraw/zinc/85/18/61/609851861.db2.gz CFULRMKAYLYLFV-RBSFLKMASA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914111206 609854050 /nfs/dbraw/zinc/85/40/50/609854050.db2.gz WVWQKNSASNKMCX-JYJNAYRXSA-N 1 3 327.494 0.971 20 0 ECADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914111206 609854052 /nfs/dbraw/zinc/85/40/52/609854052.db2.gz WVWQKNSASNKMCX-JYJNAYRXSA-N 1 3 327.494 0.971 20 0 ECADHO C[NH+](C)CC[C@@H](NC(=O)NC1CCN(CCO)CC1)c1cccnc1 ZINC000917837633 609985191 /nfs/dbraw/zinc/98/51/91/609985191.db2.gz OYIGRAIGXVXQIG-QGZVFWFLSA-N 1 3 349.479 0.830 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC(=O)N1CCC1 ZINC000939813379 610137945 /nfs/dbraw/zinc/13/79/45/610137945.db2.gz ZWJOVDOVXUHYKF-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000942433278 610457963 /nfs/dbraw/zinc/45/79/63/610457963.db2.gz YCHCBLQXFQUCSV-GOEBONIOSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC000941102915 610537280 /nfs/dbraw/zinc/53/72/80/610537280.db2.gz XMHDSONGJFVCIC-HZPDHXFCSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC000941102915 610537281 /nfs/dbraw/zinc/53/72/81/610537281.db2.gz XMHDSONGJFVCIC-HZPDHXFCSA-N 1 3 336.480 0.339 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CCCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000941112097 610556318 /nfs/dbraw/zinc/55/63/18/610556318.db2.gz XSPYUULINIOWKS-KRWDZBQOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCCN(C(=O)CN3CCCC3)CC2)C1 ZINC000941112084 610556650 /nfs/dbraw/zinc/55/66/50/610556650.db2.gz XDDXNVLXRVQKPV-MRXNPFEDSA-N 1 3 336.480 0.485 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)CN3CCCC3)CC2)C1 ZINC000941112084 610556652 /nfs/dbraw/zinc/55/66/52/610556652.db2.gz XDDXNVLXRVQKPV-MRXNPFEDSA-N 1 3 336.480 0.485 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000944298804 610815695 /nfs/dbraw/zinc/81/56/95/610815695.db2.gz OEYKCFJPQSOYCQ-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000943910684 611034894 /nfs/dbraw/zinc/03/48/94/611034894.db2.gz MOBNNVWUYFOJHP-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC000944077822 611115067 /nfs/dbraw/zinc/11/50/67/611115067.db2.gz CRPRTCBRYRPHKO-XHSDSOJGSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000944077822 611115069 /nfs/dbraw/zinc/11/50/69/611115069.db2.gz CRPRTCBRYRPHKO-XHSDSOJGSA-N 1 3 338.496 0.632 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC000944078562 611115461 /nfs/dbraw/zinc/11/54/61/611115461.db2.gz GUOULLNXAIDJAB-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1)NC1CC1 ZINC000946892461 611231339 /nfs/dbraw/zinc/23/13/39/611231339.db2.gz CIDSTYNDKAKLAL-IYBDPMFKSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1)NC1CC1 ZINC000946892461 611231342 /nfs/dbraw/zinc/23/13/42/611231342.db2.gz CIDSTYNDKAKLAL-IYBDPMFKSA-N 1 3 348.491 0.531 20 0 ECADHO COC(=O)c1cn([C@@H]2CCCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923375995 611235079 /nfs/dbraw/zinc/23/50/79/611235079.db2.gz GYVSMVHHCDXPKT-OLZOCXBDSA-N 1 3 335.408 0.080 20 0 ECADHO CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C)CC[C@@H]3C2)C1=O ZINC000946517163 611295967 /nfs/dbraw/zinc/29/59/67/611295967.db2.gz AGEYMQFIIJBQFI-YYIAUSFCSA-N 1 3 348.491 0.482 20 0 ECADHO CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C)CC[C@@H]3C2)C1=O ZINC000946517163 611295969 /nfs/dbraw/zinc/29/59/69/611295969.db2.gz AGEYMQFIIJBQFI-YYIAUSFCSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H](O)CN1CCC(CN(C)S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923614996 611329675 /nfs/dbraw/zinc/32/96/75/611329675.db2.gz IYBRUIZFONMQBN-DZGCQCFKSA-N 1 3 333.498 0.093 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000934897228 611829781 /nfs/dbraw/zinc/82/97/81/611829781.db2.gz YRACOCRINZIFBB-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000934897228 611829782 /nfs/dbraw/zinc/82/97/82/611829782.db2.gz YRACOCRINZIFBB-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC000951237873 612096223 /nfs/dbraw/zinc/09/62/23/612096223.db2.gz GRUZNKJMKNWZKC-CQSZACIVSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000951421183 612222216 /nfs/dbraw/zinc/22/22/16/612222216.db2.gz JCSIMHKOGZYTOJ-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952149824 612249289 /nfs/dbraw/zinc/24/92/89/612249289.db2.gz ZHFFIURRJZLODM-UONOGXRCSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952149824 612249292 /nfs/dbraw/zinc/24/92/92/612249292.db2.gz ZHFFIURRJZLODM-UONOGXRCSA-N 1 3 333.436 0.401 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000952151574 612251062 /nfs/dbraw/zinc/25/10/62/612251062.db2.gz OAUFXAOUVOVAIC-AWEZNQCLSA-N 1 3 333.436 0.401 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1)N(C)C ZINC000954502844 612337924 /nfs/dbraw/zinc/33/79/24/612337924.db2.gz WBTRIZRUJYJITJ-CVEARBPZSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1)N(C)C ZINC000954502844 612337929 /nfs/dbraw/zinc/33/79/29/612337929.db2.gz WBTRIZRUJYJITJ-CVEARBPZSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC000955341896 612465804 /nfs/dbraw/zinc/46/58/04/612465804.db2.gz WKBOCHKWJLGEFB-AWEZNQCLSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC000955341896 612465808 /nfs/dbraw/zinc/46/58/08/612465808.db2.gz WKBOCHKWJLGEFB-AWEZNQCLSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000954095856 612654805 /nfs/dbraw/zinc/65/48/05/612654805.db2.gz UWZWQFDODWILNX-AWEZNQCLSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000954095856 612654809 /nfs/dbraw/zinc/65/48/09/612654809.db2.gz UWZWQFDODWILNX-AWEZNQCLSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954811905 612705343 /nfs/dbraw/zinc/70/53/43/612705343.db2.gz JUCTWFYJKJARPF-IAGOWNOFSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000954824210 612716588 /nfs/dbraw/zinc/71/65/88/612716588.db2.gz FJWNIINLVZXPGL-HNNXBMFYSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000954838092 612732499 /nfs/dbraw/zinc/73/24/99/612732499.db2.gz BJYRCZIDBUMNRZ-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000954838092 612732503 /nfs/dbraw/zinc/73/25/03/612732503.db2.gz BJYRCZIDBUMNRZ-LSDHHAIUSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000954847458 612741812 /nfs/dbraw/zinc/74/18/12/612741812.db2.gz WZGNAKYRDJAICU-HNNXBMFYSA-N 1 3 336.480 0.338 20 0 ECADHO CN(CC(=O)N1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CCC1 ZINC000954356891 612873991 /nfs/dbraw/zinc/87/39/91/612873991.db2.gz KPQSRGSUDNNPTA-QGZVFWFLSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954357229 612874304 /nfs/dbraw/zinc/87/43/04/612874304.db2.gz PRTPSELVTMOJRP-CVEARBPZSA-N 1 3 334.464 0.092 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000955078466 612885961 /nfs/dbraw/zinc/88/59/61/612885961.db2.gz QVPCDBPBCXWKNV-OFQRWUPVSA-N 1 3 338.496 0.726 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000955078466 612885962 /nfs/dbraw/zinc/88/59/62/612885962.db2.gz QVPCDBPBCXWKNV-OFQRWUPVSA-N 1 3 338.496 0.726 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000954410797 612896481 /nfs/dbraw/zinc/89/64/81/612896481.db2.gz GNAQXIFJDKFLPO-ARFHVFGLSA-N 1 3 336.480 0.480 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000954410797 612896484 /nfs/dbraw/zinc/89/64/84/612896484.db2.gz GNAQXIFJDKFLPO-ARFHVFGLSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000956497034 612904012 /nfs/dbraw/zinc/90/40/12/612904012.db2.gz KJFMSSIBVGOGSG-HIFRSBDPSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000956497034 612904015 /nfs/dbraw/zinc/90/40/15/612904015.db2.gz KJFMSSIBVGOGSG-HIFRSBDPSA-N 1 3 347.463 0.647 20 0 ECADHO C[N@H+]([C@H]1CCN(C(=O)c2ccn3cncc3c2)C1)[C@@H]1CCCNC1=O ZINC000971871227 735286649 /nfs/dbraw/zinc/28/66/49/735286649.db2.gz CHQFVOOGDRGQEX-GOEBONIOSA-N 1 3 341.415 0.759 20 0 ECADHO C[N@@H+]([C@H]1CCN(C(=O)c2ccn3cncc3c2)C1)[C@@H]1CCCNC1=O ZINC000971871227 735286651 /nfs/dbraw/zinc/28/66/51/735286651.db2.gz CHQFVOOGDRGQEX-GOEBONIOSA-N 1 3 341.415 0.759 20 0 ECADHO CNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnccc3N(C)C)C2)C1 ZINC001041791318 782216292 /nfs/dbraw/zinc/21/62/92/782216292.db2.gz JLAHOEWOOQCEEX-GOSISDBHSA-N 1 3 345.447 0.432 20 0 ECADHO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cnccc3N(C)C)C2)C1 ZINC001041791318 782216299 /nfs/dbraw/zinc/21/62/99/782216299.db2.gz JLAHOEWOOQCEEX-GOSISDBHSA-N 1 3 345.447 0.432 20 0 ECADHO C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000969594971 731992778 /nfs/dbraw/zinc/99/27/78/731992778.db2.gz CSKNSHYVOYJJRE-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](N[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1)C(N)=O ZINC000969965521 732563847 /nfs/dbraw/zinc/56/38/47/732563847.db2.gz RMYLYPJAEAJMPY-SJORKVTESA-N 1 3 346.475 0.859 20 0 ECADHO CCCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232831 733077415 /nfs/dbraw/zinc/07/74/15/733077415.db2.gz RKSVHSDHQMYWTL-HNNXBMFYSA-N 1 3 338.496 0.731 20 0 ECADHO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232881 733077503 /nfs/dbraw/zinc/07/75/03/733077503.db2.gz SUSURFCZTMTBKU-CABCVRRESA-N 1 3 327.469 0.212 20 0 ECADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001167235943 733082123 /nfs/dbraw/zinc/08/21/23/733082123.db2.gz DUCJGXWBJOGGBA-CQSZACIVSA-N 1 3 336.480 0.483 20 0 ECADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167241039 733088160 /nfs/dbraw/zinc/08/81/60/733088160.db2.gz YPLHGAAYQWOCRH-CQSZACIVSA-N 1 3 340.512 0.975 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112481341 733127942 /nfs/dbraw/zinc/12/79/42/733127942.db2.gz LRNDQCMKXTWDRX-IUKIHODOSA-N 1 3 349.475 0.060 20 0 ECADHO Cn1cc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C(F)F)n1 ZINC000970713423 733860619 /nfs/dbraw/zinc/86/06/19/733860619.db2.gz XDMJWQJXQSVBQT-WCQYABFASA-N 1 3 341.406 1.000 20 0 ECADHO Cn1cc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C(F)F)n1 ZINC000970713423 733860624 /nfs/dbraw/zinc/86/06/24/733860624.db2.gz XDMJWQJXQSVBQT-WCQYABFASA-N 1 3 341.406 1.000 20 0 ECADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC000970786296 733938518 /nfs/dbraw/zinc/93/85/18/733938518.db2.gz TUHNPGROUJTJDE-HZPDHXFCSA-N 1 3 332.448 0.816 20 0 ECADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC000970789011 733941400 /nfs/dbraw/zinc/94/14/00/733941400.db2.gz SIPYCMOEOGAQKC-MRXNPFEDSA-N 1 3 336.480 0.675 20 0 ECADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294405 734016454 /nfs/dbraw/zinc/01/64/54/734016454.db2.gz NYAYEFWNEUYPRN-RBSFLKMASA-N 1 3 338.496 0.679 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COC)C1 ZINC001104363066 734722940 /nfs/dbraw/zinc/72/29/40/734722940.db2.gz XORZGUXTAQSUJP-OAGGEKHMSA-N 1 3 343.512 0.798 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971544028 734737257 /nfs/dbraw/zinc/73/72/57/734737257.db2.gz VXZHSEGHUFWZOR-CVEARBPZSA-N 1 3 332.452 0.153 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972074154 735613745 /nfs/dbraw/zinc/61/37/45/735613745.db2.gz XLEVUJFNTOAXLE-OAHLLOKOSA-N 1 3 334.468 0.685 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000972234521 735819304 /nfs/dbraw/zinc/81/93/04/735819304.db2.gz HKSIBOOOYANVEY-QGZVFWFLSA-N 1 3 348.495 0.769 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 ZINC000972333172 735958970 /nfs/dbraw/zinc/95/89/70/735958970.db2.gz UHPHIOMNUOZANS-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 ZINC000972333172 735958972 /nfs/dbraw/zinc/95/89/72/735958972.db2.gz UHPHIOMNUOZANS-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO O=C(N1CCO[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249533 736025953 /nfs/dbraw/zinc/02/59/53/736025953.db2.gz JLDSCZCRYGFAOZ-IXDOHACOSA-N 1 3 349.475 0.420 20 0 ECADHO C[NH+]1CCC(CC(=O)NCCCNCC(=O)Nc2ccon2)CC1 ZINC001167667175 736430580 /nfs/dbraw/zinc/43/05/80/736430580.db2.gz GPRCIXYCOZRJOP-UHFFFAOYSA-N 1 3 337.424 0.441 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCn2cncn2)C1)C12CCC[NH+]1CCC2 ZINC001023467216 736877789 /nfs/dbraw/zinc/87/77/89/736877789.db2.gz ZUDBQRQSOYTMMF-INIZCTEOSA-N 1 3 346.479 0.735 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001023559911 737010993 /nfs/dbraw/zinc/01/09/93/737010993.db2.gz GUEGHJIZJYCOQG-UKRRQHHQSA-N 1 3 348.447 0.672 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001023559911 737010999 /nfs/dbraw/zinc/01/09/99/737010999.db2.gz GUEGHJIZJYCOQG-UKRRQHHQSA-N 1 3 348.447 0.672 20 0 ECADHO Cc1nc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001087245404 737067452 /nfs/dbraw/zinc/06/74/52/737067452.db2.gz RADBLBOCDYYRRI-YUELXQCFSA-N 1 3 334.468 0.782 20 0 ECADHO Cc1nc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001087245404 737067455 /nfs/dbraw/zinc/06/74/55/737067455.db2.gz RADBLBOCDYYRRI-YUELXQCFSA-N 1 3 334.468 0.782 20 0 ECADHO CN(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001067463280 737317144 /nfs/dbraw/zinc/31/71/44/737317144.db2.gz XNHCFRNDCFQVBY-CVEARBPZSA-N 1 3 338.496 0.585 20 0 ECADHO CN(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001067463280 737317147 /nfs/dbraw/zinc/31/71/47/737317147.db2.gz XNHCFRNDCFQVBY-CVEARBPZSA-N 1 3 338.496 0.585 20 0 ECADHO CN(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001067463283 737317243 /nfs/dbraw/zinc/31/72/43/737317243.db2.gz XNHCFRNDCFQVBY-JKSUJKDBSA-N 1 3 338.496 0.585 20 0 ECADHO CN(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001067463283 737317246 /nfs/dbraw/zinc/31/72/46/737317246.db2.gz XNHCFRNDCFQVBY-JKSUJKDBSA-N 1 3 338.496 0.585 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001024160955 737790222 /nfs/dbraw/zinc/79/02/22/737790222.db2.gz CYTQLKIAJPPLGB-ZBFHGGJFSA-N 1 3 336.484 0.966 20 0 ECADHO Cn1ccc(CNC[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001024239734 737846354 /nfs/dbraw/zinc/84/63/54/737846354.db2.gz ZJGIOFDEAOFMOU-OAHLLOKOSA-N 1 3 331.464 0.844 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000973331167 739097413 /nfs/dbraw/zinc/09/74/13/739097413.db2.gz MNTADNBBSUSASH-XFIYOXNOSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000973331167 739097417 /nfs/dbraw/zinc/09/74/17/739097417.db2.gz MNTADNBBSUSASH-XFIYOXNOSA-N 1 3 336.480 0.574 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781843 739940057 /nfs/dbraw/zinc/94/00/57/739940057.db2.gz SRRRLGIFMNDYFC-IGKNDFSCSA-N 1 3 343.475 0.804 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781843 739940058 /nfs/dbraw/zinc/94/00/58/739940058.db2.gz SRRRLGIFMNDYFC-IGKNDFSCSA-N 1 3 343.475 0.804 20 0 ECADHO CC(C)(C)NS(=O)(=O)c1ccc(NC(=N)NCCCC[NH3+])nc1 ZINC001167880458 751519771 /nfs/dbraw/zinc/51/97/71/751519771.db2.gz ONORBKSRWIROFL-UHFFFAOYSA-N 1 3 342.469 0.834 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001026043297 740335060 /nfs/dbraw/zinc/33/50/60/740335060.db2.gz JPLIPDQHVUWPAO-LSPIHWNJSA-N 1 3 344.463 0.296 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001026043297 740335065 /nfs/dbraw/zinc/33/50/65/740335065.db2.gz JPLIPDQHVUWPAO-LSPIHWNJSA-N 1 3 344.463 0.296 20 0 ECADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NCC(C)C)C1 ZINC001100770794 740352702 /nfs/dbraw/zinc/35/27/02/740352702.db2.gz OBNDDGYPWBAYSY-FHERZECASA-N 1 3 340.512 0.973 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C[C@@H](O)c4ccccc4)C[C@H]32)C1 ZINC001026145815 740420029 /nfs/dbraw/zinc/42/00/29/740420029.db2.gz MCOAEDMAJQQHHU-QXDIGNSFSA-N 1 3 329.444 0.718 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C[C@@H](O)c4ccccc4)C[C@H]32)C1 ZINC001026145815 740420030 /nfs/dbraw/zinc/42/00/30/740420030.db2.gz MCOAEDMAJQQHHU-QXDIGNSFSA-N 1 3 329.444 0.718 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COC)C1 ZINC001104809508 740542812 /nfs/dbraw/zinc/54/28/12/740542812.db2.gz IXKXOFUKKAAJRJ-OAGGEKHMSA-N 1 3 329.485 0.410 20 0 ECADHO CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104810067 740543678 /nfs/dbraw/zinc/54/36/78/740543678.db2.gz ZBLAHCRDCZLQBE-HZPDHXFCSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001104810033 740543976 /nfs/dbraw/zinc/54/39/76/740543976.db2.gz WZGKEJXGJGLRCJ-OAGGEKHMSA-N 1 3 338.496 0.681 20 0 ECADHO CCn1nncc1C[NH2+]CC[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC001105014670 741168084 /nfs/dbraw/zinc/16/80/84/741168084.db2.gz WNOMWJVVIXMFKJ-HZPDHXFCSA-N 1 3 348.495 0.968 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001105067171 741282459 /nfs/dbraw/zinc/28/24/59/741282459.db2.gz QARHJDCCZUOLNW-BZUAXINKSA-N 1 3 340.512 0.878 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000974350687 741377790 /nfs/dbraw/zinc/37/77/90/741377790.db2.gz XQDCAYQBSGFIGM-DEQVHRJGSA-N 1 3 333.436 0.222 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000974350687 741377796 /nfs/dbraw/zinc/37/77/96/741377796.db2.gz XQDCAYQBSGFIGM-DEQVHRJGSA-N 1 3 333.436 0.222 20 0 ECADHO COc1nccc(CNC2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001026605142 741605745 /nfs/dbraw/zinc/60/57/45/741605745.db2.gz FFHSANXTKIADRW-WLYUNCDWSA-N 1 3 347.463 0.954 20 0 ECADHO COc1nccc(CNC2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001026605142 741605749 /nfs/dbraw/zinc/60/57/49/741605749.db2.gz FFHSANXTKIADRW-WLYUNCDWSA-N 1 3 347.463 0.954 20 0 ECADHO COc1cncc(CNC2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001026605493 741605797 /nfs/dbraw/zinc/60/57/97/741605797.db2.gz QSISNNBTWFUCLJ-NFOMZHRRSA-N 1 3 347.463 0.954 20 0 ECADHO COc1cncc(CNC2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001026605493 741605800 /nfs/dbraw/zinc/60/58/00/741605800.db2.gz QSISNNBTWFUCLJ-NFOMZHRRSA-N 1 3 347.463 0.954 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)C1 ZINC001020499705 751706436 /nfs/dbraw/zinc/70/64/36/751706436.db2.gz AIHYKKJRFYOABK-KKUMJFAQSA-N 1 3 334.468 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)C1 ZINC001020499705 751706437 /nfs/dbraw/zinc/70/64/37/751706437.db2.gz AIHYKKJRFYOABK-KKUMJFAQSA-N 1 3 334.468 0.674 20 0 ECADHO O=C(NC[C@@H]1CCN(CCO[C@@H]2CC2(F)F)C1)C12CC[NH+](CC1)C2 ZINC001028931667 742895467 /nfs/dbraw/zinc/89/54/67/742895467.db2.gz VGUHQWVHTHZXAT-UONOGXRCSA-N 1 3 343.418 0.945 20 0 ECADHO O=C(N1CC[C@H](CNCc2cc3n(n2)CCC3)C1)C12CC[NH+](CC1)C2 ZINC001027173201 743004920 /nfs/dbraw/zinc/00/49/20/743004920.db2.gz LRBBOBATQIMJJY-OAHLLOKOSA-N 1 3 343.475 0.863 20 0 ECADHO Cc1cc(CNC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1C ZINC001027173483 743005568 /nfs/dbraw/zinc/00/55/68/743005568.db2.gz QIBLMMQLVBKTDC-OAHLLOKOSA-N 1 3 331.464 0.762 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC000996995182 743106515 /nfs/dbraw/zinc/10/65/15/743106515.db2.gz LXZBRWADJPDYSX-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC000996996953 743108127 /nfs/dbraw/zinc/10/81/27/743108127.db2.gz CKJLBFBDVLHZIM-ZBFHGGJFSA-N 1 3 346.479 0.830 20 0 ECADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1=O ZINC000996997718 743109968 /nfs/dbraw/zinc/10/99/68/743109968.db2.gz FYJIIYDMHDTCFN-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCN(C(C)C)C2=O)CC1)N(C)C ZINC000997008612 743123340 /nfs/dbraw/zinc/12/33/40/743123340.db2.gz AFSVTMTYBDJXIN-CVEARBPZSA-N 1 3 338.496 0.917 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000997366866 743538616 /nfs/dbraw/zinc/53/86/16/743538616.db2.gz OBJNEKLXUNRGAV-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001027330740 743765348 /nfs/dbraw/zinc/76/53/48/743765348.db2.gz AWICMMGXMRMUGW-SJORKVTESA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001027330740 743765351 /nfs/dbraw/zinc/76/53/51/743765351.db2.gz AWICMMGXMRMUGW-SJORKVTESA-N 1 3 348.495 0.912 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001020591888 751859775 /nfs/dbraw/zinc/85/97/75/751859775.db2.gz WBNMKXIGFQMKQQ-RBSFLKMASA-N 1 3 336.480 0.576 20 0 ECADHO CN(CC(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1)C1CCC1 ZINC000997830641 743841783 /nfs/dbraw/zinc/84/17/83/743841783.db2.gz KXUSXTFCEKNWQJ-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(CNCc2cn(C)nn2)CC1)[NH+](C)C ZINC000998041018 743945087 /nfs/dbraw/zinc/94/50/87/743945087.db2.gz ZHBBTBJRMZMSJB-MRXNPFEDSA-N 1 3 336.484 0.730 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000998083852 743969294 /nfs/dbraw/zinc/96/92/94/743969294.db2.gz XYNYRLPWBNQTRL-OAHLLOKOSA-N 1 3 336.480 0.435 20 0 ECADHO Cn1ccc(CNCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000998222872 744060344 /nfs/dbraw/zinc/06/03/44/744060344.db2.gz NZSGTTHRSZJQJC-UHFFFAOYSA-N 1 3 331.464 0.844 20 0 ECADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC000976560856 744090696 /nfs/dbraw/zinc/09/06/96/744090696.db2.gz ZGLMDCUAELOLOA-ZOFXXKQRSA-N 1 3 348.491 0.241 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000998864830 744377248 /nfs/dbraw/zinc/37/72/48/744377248.db2.gz CFQUYLPWZJOSSB-XUJLQICISA-N 1 3 334.468 0.769 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000998864830 744377251 /nfs/dbraw/zinc/37/72/51/744377251.db2.gz CFQUYLPWZJOSSB-XUJLQICISA-N 1 3 334.468 0.769 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000999316655 744621250 /nfs/dbraw/zinc/62/12/50/744621250.db2.gz HRGQYBROGSCIDQ-UHFFFAOYSA-N 1 3 346.435 0.863 20 0 ECADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)C1CCC1 ZINC000999366086 744656526 /nfs/dbraw/zinc/65/65/26/744656526.db2.gz VBWMADWIYSIGBT-MRXNPFEDSA-N 1 3 346.475 0.950 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000977204730 744762952 /nfs/dbraw/zinc/76/29/52/744762952.db2.gz QAEMGCDWSGKGIA-KBEGMRNHSA-N 1 3 348.491 0.243 20 0 ECADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]Cc3cnnn3C)C2)CC1 ZINC000999599139 744783254 /nfs/dbraw/zinc/78/32/54/744783254.db2.gz QQNCDIDUSQWGBJ-UHFFFAOYSA-N 1 3 334.468 0.626 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)n1 ZINC000999832327 744928193 /nfs/dbraw/zinc/92/81/93/744928193.db2.gz FLEHKEZEAAJUKY-UHFFFAOYSA-N 1 3 334.468 0.570 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999850932 744944720 /nfs/dbraw/zinc/94/47/20/744944720.db2.gz CCVJBCMKEQHZOF-CJNGLKHVSA-N 1 3 334.464 0.140 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999867205 744965377 /nfs/dbraw/zinc/96/53/77/744965377.db2.gz AQHLMHGMNMNTCA-HOCLYGCPSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999867205 744965404 /nfs/dbraw/zinc/96/54/04/744965404.db2.gz AQHLMHGMNMNTCA-HOCLYGCPSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000999906181 745045160 /nfs/dbraw/zinc/04/51/60/745045160.db2.gz UOBTXZIFOQJLSM-UKRRQHHQSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000999906181 745045163 /nfs/dbraw/zinc/04/51/63/745045163.db2.gz UOBTXZIFOQJLSM-UKRRQHHQSA-N 1 3 336.480 0.243 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)on1 ZINC000983714940 745090352 /nfs/dbraw/zinc/09/03/52/745090352.db2.gz DEHJRYSHYWLHAO-KCYZZUKISA-N 1 3 348.447 0.831 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)on1 ZINC000983714940 745090358 /nfs/dbraw/zinc/09/03/58/745090358.db2.gz DEHJRYSHYWLHAO-KCYZZUKISA-N 1 3 348.447 0.831 20 0 ECADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000999986661 745141264 /nfs/dbraw/zinc/14/12/64/745141264.db2.gz UMMKKWAMTJUOBV-HOCLYGCPSA-N 1 3 336.480 0.849 20 0 ECADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999986661 745141266 /nfs/dbraw/zinc/14/12/66/745141266.db2.gz UMMKKWAMTJUOBV-HOCLYGCPSA-N 1 3 336.480 0.849 20 0 ECADHO C[C@@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029147578 745167415 /nfs/dbraw/zinc/16/74/15/745167415.db2.gz XBBKISHPYKPCCE-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](N[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1)C(N)=O ZINC001000200065 745339369 /nfs/dbraw/zinc/33/93/69/745339369.db2.gz OOFNEQACLKGZNZ-YOEHRIQHSA-N 1 3 346.475 0.859 20 0 ECADHO CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536257 745374588 /nfs/dbraw/zinc/37/45/88/745374588.db2.gz ZSFNIMCQVDEWPV-KSSFIOAISA-N 1 3 347.463 0.695 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001000311203 745420087 /nfs/dbraw/zinc/42/00/87/745420087.db2.gz GOUMFIOAMCMPAL-TZMCWYRMSA-N 1 3 329.408 0.312 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001000311196 745420111 /nfs/dbraw/zinc/42/01/11/745420111.db2.gz GOUMFIOAMCMPAL-OCCSQVGLSA-N 1 3 329.408 0.312 20 0 ECADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)NCC2CCC2)CC1 ZINC001203437822 745491044 /nfs/dbraw/zinc/49/10/44/745491044.db2.gz SRMCHSIAXJWNNW-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001000546276 745583058 /nfs/dbraw/zinc/58/30/58/745583058.db2.gz NYXWZVZADVLUOD-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001000547074 745583953 /nfs/dbraw/zinc/58/39/53/745583953.db2.gz RMRQIWWYGDLDJV-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001075798646 745647841 /nfs/dbraw/zinc/64/78/41/745647841.db2.gz JIQBPDHKNMSVAU-YESZJQIVSA-N 1 3 344.463 0.153 20 0 ECADHO COC[C@H](C)N1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075803748 745738032 /nfs/dbraw/zinc/73/80/32/745738032.db2.gz ABUZLTHOKJDTFK-YQQAZPJKSA-N 1 3 349.479 0.626 20 0 ECADHO CN(C[C@H]1CCN1C(=O)[C@@H]1CCCN1C)C(=O)C12CCC[NH+]1CCC2 ZINC000978029896 745831148 /nfs/dbraw/zinc/83/11/48/745831148.db2.gz DNJYBTFUAVISCO-CVEARBPZSA-N 1 3 348.491 0.768 20 0 ECADHO Cn1nccc1CCN1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001373272 746318968 /nfs/dbraw/zinc/31/89/68/746318968.db2.gz GEPSQNRYZGBFLY-UHFFFAOYSA-N 1 3 343.475 0.807 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CCN([C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001001420942 746360489 /nfs/dbraw/zinc/36/04/89/746360489.db2.gz RCKZLZWGZZSUPI-FVQBIDKESA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CCN([C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001001420942 746360494 /nfs/dbraw/zinc/36/04/94/746360494.db2.gz RCKZLZWGZZSUPI-FVQBIDKESA-N 1 3 336.480 0.433 20 0 ECADHO C[C@]12CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@]1(C)C[N@H+](CCO)C2 ZINC000982385909 752084600 /nfs/dbraw/zinc/08/46/00/752084600.db2.gz NITHHBVOTGBDPP-WZTPKPFXSA-N 1 3 349.475 0.012 20 0 ECADHO C[C@]12CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982385909 752084609 /nfs/dbraw/zinc/08/46/09/752084609.db2.gz NITHHBVOTGBDPP-WZTPKPFXSA-N 1 3 349.475 0.012 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCN1CCCC1=O ZINC001087828496 746431616 /nfs/dbraw/zinc/43/16/16/746431616.db2.gz MYLGBKRGCNOEAN-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCN1CCCC1=O ZINC001087828496 746431618 /nfs/dbraw/zinc/43/16/18/746431618.db2.gz MYLGBKRGCNOEAN-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CCCN(C)CC(=O)N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001203443021 746537303 /nfs/dbraw/zinc/53/73/03/746537303.db2.gz PMZITAOOMSASDH-UHFFFAOYSA-N 1 3 338.452 0.058 20 0 ECADHO O=S(=O)(NCC1([NH+]2CCCCC2)CCCCC1)N1CCNCC1 ZINC000320303708 746904230 /nfs/dbraw/zinc/90/42/30/746904230.db2.gz BKFNGPBUDBXNDX-UHFFFAOYSA-N 1 3 344.525 0.915 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1)C1CC1 ZINC001087993717 746953473 /nfs/dbraw/zinc/95/34/73/746953473.db2.gz ZWWHMOVIVGLRBL-IKGGRYGDSA-N 1 3 346.479 0.399 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1)C1CC1 ZINC001087993717 746953484 /nfs/dbraw/zinc/95/34/84/746953484.db2.gz ZWWHMOVIVGLRBL-IKGGRYGDSA-N 1 3 346.479 0.399 20 0 ECADHO Cc1nc(C)n(CCN2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001002119643 746998847 /nfs/dbraw/zinc/99/88/47/746998847.db2.gz CIZIZSKLXFNARE-QGZVFWFLSA-N 1 3 348.495 0.675 20 0 ECADHO Cc1nc(C)n(CCN2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001002119643 746998854 /nfs/dbraw/zinc/99/88/54/746998854.db2.gz CIZIZSKLXFNARE-QGZVFWFLSA-N 1 3 348.495 0.675 20 0 ECADHO CN(C)c1ccncc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1 ZINC000985039434 747292381 /nfs/dbraw/zinc/29/23/81/747292381.db2.gz BWARNEYQVYKHPF-HAQNSBGRSA-N 1 3 330.392 0.829 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001002460017 747378909 /nfs/dbraw/zinc/37/89/09/747378909.db2.gz AXMHCNOSIWTQSJ-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001002460017 747378917 /nfs/dbraw/zinc/37/89/17/747378917.db2.gz AXMHCNOSIWTQSJ-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)C1 ZINC001088106820 747400002 /nfs/dbraw/zinc/40/00/02/747400002.db2.gz SJLVOBFFTARHOP-RVKKMQEKSA-N 1 3 341.471 0.972 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)C1 ZINC001088106820 747400004 /nfs/dbraw/zinc/40/00/04/747400004.db2.gz SJLVOBFFTARHOP-RVKKMQEKSA-N 1 3 341.471 0.972 20 0 ECADHO Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121176 747433333 /nfs/dbraw/zinc/43/33/33/747433333.db2.gz SAPUTUDRLGWWLQ-CABCVRRESA-N 1 3 342.447 0.709 20 0 ECADHO Cn1nccc1CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121176 747433337 /nfs/dbraw/zinc/43/33/37/747433337.db2.gz SAPUTUDRLGWWLQ-CABCVRRESA-N 1 3 342.447 0.709 20 0 ECADHO CC(C)N1CCN(Cc2ccc(-n3nnc(CC[NH3+])n3)c(F)c2)CC1 ZINC001167792871 747593211 /nfs/dbraw/zinc/59/32/11/747593211.db2.gz PPDLVDVSXVEOSQ-UHFFFAOYSA-N 1 3 347.442 0.829 20 0 ECADHO C[C@H](NCc1cnn(C)c1)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC000979372407 747698887 /nfs/dbraw/zinc/69/88/87/747698887.db2.gz LZNSSIMPJPUAKB-WMLDXEAASA-N 1 3 349.479 0.467 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001002888119 747923148 /nfs/dbraw/zinc/92/31/48/747923148.db2.gz NELFOODIULDMSI-DLBZAZTESA-N 1 3 348.491 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001002888119 747923157 /nfs/dbraw/zinc/92/31/57/747923157.db2.gz NELFOODIULDMSI-DLBZAZTESA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@H]2CCNC2=O)CC1 ZINC000985429286 747984334 /nfs/dbraw/zinc/98/43/34/747984334.db2.gz ODMYFLIZXQFYHQ-HOTGVXAUSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@H]2CCNC2=O)CC1 ZINC000985429286 747984337 /nfs/dbraw/zinc/98/43/37/747984337.db2.gz ODMYFLIZXQFYHQ-HOTGVXAUSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC000985439543 748033974 /nfs/dbraw/zinc/03/39/74/748033974.db2.gz BFGZYVNNAXQMAD-ARFHVFGLSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC000985439543 748033979 /nfs/dbraw/zinc/03/39/79/748033979.db2.gz BFGZYVNNAXQMAD-ARFHVFGLSA-N 1 3 336.480 0.528 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001029755719 748264189 /nfs/dbraw/zinc/26/41/89/748264189.db2.gz SGPMIRUOGBYGDC-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001029755719 748264194 /nfs/dbraw/zinc/26/41/94/748264194.db2.gz SGPMIRUOGBYGDC-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001003301693 748397354 /nfs/dbraw/zinc/39/73/54/748397354.db2.gz MULRJNCAGCSFOW-UHFFFAOYSA-N 1 3 334.464 0.285 20 0 ECADHO COC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003331501 748434050 /nfs/dbraw/zinc/43/40/50/748434050.db2.gz GTLBBSIBTXZGAX-GEMJLEDKSA-N 1 3 337.464 0.465 20 0 ECADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985551906 748470245 /nfs/dbraw/zinc/47/02/45/748470245.db2.gz BAHIQMPPXNSBDK-IAGOWNOFSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001067626322 748563697 /nfs/dbraw/zinc/56/36/97/748563697.db2.gz SIRBUOKUDGNOID-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO Cn1ccc(CN2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cc1=O ZINC001003969456 749092323 /nfs/dbraw/zinc/09/23/23/749092323.db2.gz XAOTYOUXOUNYBI-HNNXBMFYSA-N 1 3 346.475 0.808 20 0 ECADHO Cn1ccc(CN2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cc1=O ZINC001003969456 749092331 /nfs/dbraw/zinc/09/23/31/749092331.db2.gz XAOTYOUXOUNYBI-HNNXBMFYSA-N 1 3 346.475 0.808 20 0 ECADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)N(C)C)C2 ZINC001112531342 749550232 /nfs/dbraw/zinc/55/02/32/749550232.db2.gz RVMBIFDKVQAZCS-MPGHIAIKSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1)[NH+]1CCCC1 ZINC000980490389 749646637 /nfs/dbraw/zinc/64/66/37/749646637.db2.gz KCIURMBAMQFIOU-IAGOWNOFSA-N 1 3 348.495 0.931 20 0 ECADHO CCn1cc(CNC[C@H]2C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC000980690404 749975911 /nfs/dbraw/zinc/97/59/11/749975911.db2.gz QAIQZZJXYPRXIF-HUUCEWRRSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@H]1[C@H](NCC(=O)N2CCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986811024 750378458 /nfs/dbraw/zinc/37/84/58/750378458.db2.gz MVMMPJHFZBBZME-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cc(CN[C@H]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000981461765 750717214 /nfs/dbraw/zinc/71/72/14/750717214.db2.gz KXDAWOFIIJLMRS-UONOGXRCSA-N 1 3 332.452 0.428 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001021044256 752470940 /nfs/dbraw/zinc/47/09/40/752470940.db2.gz LFLREVNPECGGQD-JHJVBQTASA-N 1 3 335.404 0.337 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001021044256 752470945 /nfs/dbraw/zinc/47/09/45/752470945.db2.gz LFLREVNPECGGQD-JHJVBQTASA-N 1 3 335.404 0.337 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938093107 753214493 /nfs/dbraw/zinc/21/44/93/753214493.db2.gz OWQPSFDDMOJDDU-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938093107 753214499 /nfs/dbraw/zinc/21/44/99/753214499.db2.gz OWQPSFDDMOJDDU-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCC(NCc2cncc(OC)n2)CC1 ZINC001203215198 753647144 /nfs/dbraw/zinc/64/71/44/753647144.db2.gz SODJLTHSXSUYPW-UHFFFAOYSA-N 1 3 335.452 0.908 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCC(NCc2cncc(OC)n2)CC1 ZINC001203215198 753647150 /nfs/dbraw/zinc/64/71/50/753647150.db2.gz SODJLTHSXSUYPW-UHFFFAOYSA-N 1 3 335.452 0.908 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001008398778 753698111 /nfs/dbraw/zinc/69/81/11/753698111.db2.gz JARWCPVUPCDDGA-DLBZAZTESA-N 1 3 349.479 0.166 20 0 ECADHO CC(C)N(C)CC(=O)N1CCOC2(CCC([NH2+]CCO)CC2)C1 ZINC001105487125 753723747 /nfs/dbraw/zinc/72/37/47/753723747.db2.gz QKXCHUYVIKDYCF-UHFFFAOYSA-N 1 3 327.469 0.449 20 0 ECADHO CC(C)N(C)CC(=O)N1CCOC2(CCC([NH2+]C[C@@H](C)O)CC2)C1 ZINC001105487273 753724781 /nfs/dbraw/zinc/72/47/81/753724781.db2.gz YWFNTGMROTYUHM-KLHKWILBSA-N 1 3 341.496 0.837 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(N)=O)CCC1)N(C)C ZINC001105566682 753838139 /nfs/dbraw/zinc/83/81/39/753838139.db2.gz RNYVAQUAMXALHW-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001014102132 762253315 /nfs/dbraw/zinc/25/33/15/762253315.db2.gz ICDZDCFLIBRGTI-WFASDCNBSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449317 753944868 /nfs/dbraw/zinc/94/48/68/753944868.db2.gz GOOSIVXXDWDYGK-LSDHHAIUSA-N 1 3 334.468 0.589 20 0 ECADHO Cc1ncc(CN[C@@H]2C[C@@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000989682219 754301644 /nfs/dbraw/zinc/30/16/44/754301644.db2.gz HRTLSZFMKJCSJG-CZUORRHYSA-N 1 3 329.448 0.960 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]C[C@H](O)COC)CC1 ZINC001168335674 754647269 /nfs/dbraw/zinc/64/72/69/754647269.db2.gz PEPPBYJFHLSSFQ-JKSUJKDBSA-N 1 3 341.496 0.744 20 0 ECADHO O=C(N[C@H]1CCCN(CCCN2CCCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001009221475 754672861 /nfs/dbraw/zinc/67/28/61/754672861.db2.gz VLUJVHHDWUGSGI-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)c(=O)c2)CC1 ZINC000990243219 754891207 /nfs/dbraw/zinc/89/12/07/754891207.db2.gz CJUZBIBWMKEWRQ-INIZCTEOSA-N 1 3 332.448 0.560 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000983370273 755439935 /nfs/dbraw/zinc/43/99/35/755439935.db2.gz QMXOZZSYXSXIJC-CWRNSKLLSA-N 1 3 347.463 0.647 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000983370273 755439940 /nfs/dbraw/zinc/43/99/40/755439940.db2.gz QMXOZZSYXSXIJC-CWRNSKLLSA-N 1 3 347.463 0.647 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@@]23CCC[C@H]2N(CCO)CC3)n1 ZINC000990739636 755806520 /nfs/dbraw/zinc/80/65/20/755806520.db2.gz JJJYNUXILGWSRV-NVXWUHKLSA-N 1 3 335.452 0.164 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCc4ccnn4C)C[C@H]32)C1 ZINC001076242698 756270415 /nfs/dbraw/zinc/27/04/15/756270415.db2.gz OLAWHMKVTAITFF-XYJFISCASA-N 1 3 345.491 0.837 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCc4ccnn4C)C[C@H]32)C1 ZINC001076242698 756270418 /nfs/dbraw/zinc/27/04/18/756270418.db2.gz OLAWHMKVTAITFF-XYJFISCASA-N 1 3 345.491 0.837 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001010722309 756443447 /nfs/dbraw/zinc/44/34/47/756443447.db2.gz HKXNYIMDKKOMMU-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001010722309 756443453 /nfs/dbraw/zinc/44/34/53/756443453.db2.gz HKXNYIMDKKOMMU-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@H](CNCc2cccnc2)C1 ZINC001051615904 762480655 /nfs/dbraw/zinc/48/06/55/762480655.db2.gz DMZAWTOFRNDATN-MSOLQXFVSA-N 1 3 344.459 0.740 20 0 ECADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076588225 756693483 /nfs/dbraw/zinc/69/34/83/756693483.db2.gz OGTGZYBAFMQWFH-KBPBESRZSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076588225 756693488 /nfs/dbraw/zinc/69/34/88/756693488.db2.gz OGTGZYBAFMQWFH-KBPBESRZSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001076628306 756749955 /nfs/dbraw/zinc/74/99/55/756749955.db2.gz HSDFBICTDWTWLL-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001076628306 756749959 /nfs/dbraw/zinc/74/99/59/756749959.db2.gz HSDFBICTDWTWLL-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001011137875 757007114 /nfs/dbraw/zinc/00/71/14/757007114.db2.gz DYXDYIOLDBDUAO-HOCLYGCPSA-N 1 3 345.447 0.497 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001011137875 757007124 /nfs/dbraw/zinc/00/71/24/757007124.db2.gz DYXDYIOLDBDUAO-HOCLYGCPSA-N 1 3 345.447 0.497 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001048815502 757084916 /nfs/dbraw/zinc/08/49/16/757084916.db2.gz NDHWRTXOXHKNIZ-FZKCQIBNSA-N 1 3 336.480 0.513 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001048815502 757084922 /nfs/dbraw/zinc/08/49/22/757084922.db2.gz NDHWRTXOXHKNIZ-FZKCQIBNSA-N 1 3 336.480 0.513 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864629 757221118 /nfs/dbraw/zinc/22/11/18/757221118.db2.gz LTINEWZCHGHMOC-KFWWJZLASA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864629 757221124 /nfs/dbraw/zinc/22/11/24/757221124.db2.gz LTINEWZCHGHMOC-KFWWJZLASA-N 1 3 336.480 0.338 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1)C1CC1 ZINC001048864308 757221169 /nfs/dbraw/zinc/22/11/69/757221169.db2.gz WROADNVVGXABRO-OWCLPIDISA-N 1 3 332.452 0.009 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1)C1CC1 ZINC001048864308 757221176 /nfs/dbraw/zinc/22/11/76/757221176.db2.gz WROADNVVGXABRO-OWCLPIDISA-N 1 3 332.452 0.009 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001048885566 757299893 /nfs/dbraw/zinc/29/98/93/757299893.db2.gz YZCPBQGPAKYYAX-XHSDSOJGSA-N 1 3 348.491 0.517 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011267735 757345222 /nfs/dbraw/zinc/34/52/22/757345222.db2.gz CXQDIZCFIODVED-RDJZCZTQSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011267735 757345232 /nfs/dbraw/zinc/34/52/32/757345232.db2.gz CXQDIZCFIODVED-RDJZCZTQSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996316193 757352205 /nfs/dbraw/zinc/35/22/05/757352205.db2.gz ZHVNDSWIQRKYAR-KDOFPFPSSA-N 1 3 348.491 0.672 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC000996344224 757359897 /nfs/dbraw/zinc/35/98/97/757359897.db2.gz SDTABFVFCTXLJZ-UHFFFAOYSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000996342717 757414029 /nfs/dbraw/zinc/41/40/29/757414029.db2.gz HFHRCAXMYYGNFV-CQSZACIVSA-N 1 3 334.464 0.284 20 0 ECADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001011317683 757499593 /nfs/dbraw/zinc/49/95/93/757499593.db2.gz WLNCQJZTUVLRJT-OAHLLOKOSA-N 1 3 333.436 0.497 20 0 ECADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001011317683 757499598 /nfs/dbraw/zinc/49/95/98/757499598.db2.gz WLNCQJZTUVLRJT-OAHLLOKOSA-N 1 3 333.436 0.497 20 0 ECADHO C[NH+]1CCC(C(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)CC1 ZINC001049025696 757730300 /nfs/dbraw/zinc/73/03/00/757730300.db2.gz XDNAEBCYIDLGAL-CALCHBBNSA-N 1 3 348.491 0.341 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H](C1CC1)[NH+](C)C)N(C)C ZINC001076957842 757750410 /nfs/dbraw/zinc/75/04/10/757750410.db2.gz NPNTZAKVQVCWRH-AEGPPILISA-N 1 3 326.485 0.678 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@H]3C2)C1=O ZINC001049059681 757820750 /nfs/dbraw/zinc/82/07/50/757820750.db2.gz ZTXSBJLAGTYNSN-NCOADZHNSA-N 1 3 348.491 0.339 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@H]3C2)C1=O ZINC001049059681 757820766 /nfs/dbraw/zinc/82/07/66/757820766.db2.gz ZTXSBJLAGTYNSN-NCOADZHNSA-N 1 3 348.491 0.339 20 0 ECADHO Cc1nc(CN[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996516608 757922256 /nfs/dbraw/zinc/92/22/56/757922256.db2.gz BVELGLVFQYAINK-KBPBESRZSA-N 1 3 334.468 0.782 20 0 ECADHO Cc1nc(CN[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996516608 757922259 /nfs/dbraw/zinc/92/22/59/757922259.db2.gz BVELGLVFQYAINK-KBPBESRZSA-N 1 3 334.468 0.782 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001077020838 757955857 /nfs/dbraw/zinc/95/58/57/757955857.db2.gz AEEDWCDBFDXSGK-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077020838 757955867 /nfs/dbraw/zinc/95/58/67/757955867.db2.gz AEEDWCDBFDXSGK-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CN(CC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCCCO2)C1)C1CCC1 ZINC001051656010 762607798 /nfs/dbraw/zinc/60/77/98/762607798.db2.gz YJSYZRBVHFMLHY-DLBZAZTESA-N 1 3 339.480 0.857 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049171157 758211728 /nfs/dbraw/zinc/21/17/28/758211728.db2.gz MGVLEZXBFNPBAC-YHUYYLMFSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049171157 758211738 /nfs/dbraw/zinc/21/17/38/758211738.db2.gz MGVLEZXBFNPBAC-YHUYYLMFSA-N 1 3 336.480 0.195 20 0 ECADHO Cc1nocc1CN1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001049173186 758217060 /nfs/dbraw/zinc/21/70/60/758217060.db2.gz LRGIXERNSLFBPY-GASCZTMLSA-N 1 3 330.432 0.969 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001022077540 758242038 /nfs/dbraw/zinc/24/20/38/758242038.db2.gz QJHRRJBBYCAQOZ-WCVJEAGWSA-N 1 3 346.479 0.909 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001022077540 758242042 /nfs/dbraw/zinc/24/20/42/758242042.db2.gz QJHRRJBBYCAQOZ-WCVJEAGWSA-N 1 3 346.479 0.909 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616549 758250244 /nfs/dbraw/zinc/25/02/44/758250244.db2.gz SYOMCANCSOXTHY-GOEBONIOSA-N 1 3 348.495 0.885 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616549 758250251 /nfs/dbraw/zinc/25/02/51/758250251.db2.gz SYOMCANCSOXTHY-GOEBONIOSA-N 1 3 348.495 0.885 20 0 ECADHO Cc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CN4CCC[C@@H]4CO3)C2)c1 ZINC001022119640 758300960 /nfs/dbraw/zinc/30/09/60/758300960.db2.gz GBVJTSOYHDGYNI-XMTFNYHQSA-N 1 3 344.459 0.990 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccc(F)cn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022120119 758303054 /nfs/dbraw/zinc/30/30/54/758303054.db2.gz KUXNZISANBZCLJ-YVSFHVDLSA-N 1 3 348.422 0.821 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccc(F)cn2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001022120119 758303066 /nfs/dbraw/zinc/30/30/66/758303066.db2.gz KUXNZISANBZCLJ-YVSFHVDLSA-N 1 3 348.422 0.821 20 0 ECADHO CN(C)C1(C(=O)N2CCC([NH2+]CC(=O)N3CCCC3)CC2)CCC1 ZINC000996666443 758393804 /nfs/dbraw/zinc/39/38/04/758393804.db2.gz QNWMMDBQNNQGMT-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049232652 758395559 /nfs/dbraw/zinc/39/55/59/758395559.db2.gz BTTBQDKCIXNMKG-IXDOHACOSA-N 1 3 346.479 0.543 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049232652 758395563 /nfs/dbraw/zinc/39/55/63/758395563.db2.gz BTTBQDKCIXNMKG-IXDOHACOSA-N 1 3 346.479 0.543 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1)C1CC1 ZINC000996677472 758447563 /nfs/dbraw/zinc/44/75/63/758447563.db2.gz KAYDTZFWQKCUKU-KRWDZBQOSA-N 1 3 333.480 0.883 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCN(C(C)C)C2=O)CC1)N(C)C ZINC000996710209 758536993 /nfs/dbraw/zinc/53/69/93/758536993.db2.gz AFSVTMTYBDJXIN-JKSUJKDBSA-N 1 3 338.496 0.917 20 0 ECADHO CCCN(C)CC(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060320064 762635905 /nfs/dbraw/zinc/63/59/05/762635905.db2.gz KXZUGWGQBFWWFT-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022493630 758798199 /nfs/dbraw/zinc/79/81/99/758798199.db2.gz UDULLTHOAYCYGQ-LZWOXQAQSA-N 1 3 332.452 0.426 20 0 ECADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001022710278 759021773 /nfs/dbraw/zinc/02/17/73/759021773.db2.gz BTVSCKNPLRFEOR-ZHRONYKTSA-N 1 3 342.459 0.700 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)n[nH]1 ZINC001022719379 759039672 /nfs/dbraw/zinc/03/96/72/759039672.db2.gz KNDBLVAPFUMDGI-IGQOVBAYSA-N 1 3 334.468 0.863 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)n[nH]1 ZINC001022719379 759039680 /nfs/dbraw/zinc/03/96/80/759039680.db2.gz KNDBLVAPFUMDGI-IGQOVBAYSA-N 1 3 334.468 0.863 20 0 ECADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034383 759385337 /nfs/dbraw/zinc/38/53/37/759385337.db2.gz YPGUXWLXJDTBJX-GDBMZVCRSA-N 1 3 346.475 0.792 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001107036670 759463951 /nfs/dbraw/zinc/46/39/51/759463951.db2.gz OWQHSXJZVHBAKU-BRWVUGGUSA-N 1 3 341.496 0.554 20 0 ECADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042653 759504275 /nfs/dbraw/zinc/50/42/75/759504275.db2.gz WUJKZZVYYOAAAI-BZUAXINKSA-N 1 3 340.512 0.925 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001050075956 759661957 /nfs/dbraw/zinc/66/19/57/759661957.db2.gz QVUJOYRABJNGIR-ZJIFWQFVSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001050075956 759661963 /nfs/dbraw/zinc/66/19/63/759661963.db2.gz QVUJOYRABJNGIR-ZJIFWQFVSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H](NCc1cnns1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048041107 759871559 /nfs/dbraw/zinc/87/15/59/759871559.db2.gz WJPZCJLAKLXDMF-OLZOCXBDSA-N 1 3 335.477 0.961 20 0 ECADHO CN(CC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001050222481 759969662 /nfs/dbraw/zinc/96/96/62/759969662.db2.gz LVGCRTSTYSQZNA-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)N2CCCCC2)CC[N@@H+]1C ZINC001127707137 760039580 /nfs/dbraw/zinc/03/95/80/760039580.db2.gz VPVAMJMHDZIZTE-HRCADAONSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)N2CCCCC2)CC[N@H+]1C ZINC001127707137 760039591 /nfs/dbraw/zinc/03/95/91/760039591.db2.gz VPVAMJMHDZIZTE-HRCADAONSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(CC)CC)CC[N@@H+]1C ZINC001127707255 760041614 /nfs/dbraw/zinc/04/16/14/760041614.db2.gz XHVWOQGEJHVYAD-SOUVJXGZSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(CC)CC)CC[N@H+]1C ZINC001127707255 760041624 /nfs/dbraw/zinc/04/16/24/760041624.db2.gz XHVWOQGEJHVYAD-SOUVJXGZSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001048276687 760203588 /nfs/dbraw/zinc/20/35/88/760203588.db2.gz IDGXDDGGXARHQM-KBPBESRZSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001050461713 760303600 /nfs/dbraw/zinc/30/36/00/760303600.db2.gz IEAYDZHWALKSNG-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1nncn1C ZINC001048369134 760388090 /nfs/dbraw/zinc/38/80/90/760388090.db2.gz NKGOSKSAWDDKRV-UKRRQHHQSA-N 1 3 334.468 0.341 20 0 ECADHO Cc1nnc(CNC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)[nH]1 ZINC001048371311 760392493 /nfs/dbraw/zinc/39/24/93/760392493.db2.gz XFFZEYSLTZMRKH-WFASDCNBSA-N 1 3 334.468 0.639 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050521406 760419933 /nfs/dbraw/zinc/41/99/33/760419933.db2.gz OYFGSOSNURYJEC-GOEBONIOSA-N 1 3 348.491 0.387 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050539991 760457301 /nfs/dbraw/zinc/45/73/01/760457301.db2.gz XOBYTKCVJHRMFN-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001050539991 760457307 /nfs/dbraw/zinc/45/73/07/760457307.db2.gz XOBYTKCVJHRMFN-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO Cc1nnc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)[nH]1 ZINC001048437092 760526133 /nfs/dbraw/zinc/52/61/33/760526133.db2.gz ACUMAYNFQXZOPC-TZMCWYRMSA-N 1 3 332.452 0.393 20 0 ECADHO NC(=O)C[NH+]1CCC2(CN(C(=O)c3ccn4cncc4c3)C2)CC1 ZINC001050582935 760531948 /nfs/dbraw/zinc/53/19/48/760531948.db2.gz QCUVROWMRWMDSO-UHFFFAOYSA-N 1 3 327.388 0.358 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663416 760640073 /nfs/dbraw/zinc/64/00/73/760640073.db2.gz UGSCXYWCZKLKQD-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663416 760640077 /nfs/dbraw/zinc/64/00/77/760640077.db2.gz UGSCXYWCZKLKQD-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+]([C@H](C)C(=O)N(C)C)CC2)N(C)C ZINC001050668898 760648955 /nfs/dbraw/zinc/64/89/55/760648955.db2.gz IJHUAHHHNRQBTP-CABCVRRESA-N 1 3 338.496 0.728 20 0 ECADHO CCN1CC[C@H](N2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050754495 760783016 /nfs/dbraw/zinc/78/30/16/760783016.db2.gz YAKHCTYRRIYOKI-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO CCN1CC[C@H](N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050754495 760783023 /nfs/dbraw/zinc/78/30/23/760783023.db2.gz YAKHCTYRRIYOKI-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000991421799 760842373 /nfs/dbraw/zinc/84/23/73/760842373.db2.gz QXKNNPJUGISSGP-HZPDHXFCSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000991421799 760842387 /nfs/dbraw/zinc/84/23/87/760842387.db2.gz QXKNNPJUGISSGP-HZPDHXFCSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000991439684 760960942 /nfs/dbraw/zinc/96/09/42/760960942.db2.gz FKSUVKGIRUTPNE-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082178 761017479 /nfs/dbraw/zinc/01/74/79/761017479.db2.gz LTSKHSACADAJTF-GJZGRUSLSA-N 1 3 326.485 0.870 20 0 ECADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082178 761017490 /nfs/dbraw/zinc/01/74/90/761017490.db2.gz LTSKHSACADAJTF-GJZGRUSLSA-N 1 3 326.485 0.870 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCn1cccn1 ZINC001106249808 768015663 /nfs/dbraw/zinc/01/56/63/768015663.db2.gz REJJOFOENGEIEM-DJIMGWMZSA-N 1 3 333.480 0.907 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1)C1CCC1 ZINC000991530576 761404314 /nfs/dbraw/zinc/40/43/14/761404314.db2.gz ZYRNNGQRMRFMSG-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1)C1CCC1 ZINC000991530576 761404317 /nfs/dbraw/zinc/40/43/17/761404317.db2.gz ZYRNNGQRMRFMSG-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1)N(C)C ZINC001106281866 768064968 /nfs/dbraw/zinc/06/49/68/768064968.db2.gz IDGDXXGCSSUTFS-INMHGKMJSA-N 1 3 338.496 0.489 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001051299779 761851267 /nfs/dbraw/zinc/85/12/67/761851267.db2.gz OWXCVWOZYXLQSJ-KSSFIOAISA-N 1 3 331.460 0.851 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001051299779 761851278 /nfs/dbraw/zinc/85/12/78/761851278.db2.gz OWXCVWOZYXLQSJ-KSSFIOAISA-N 1 3 331.460 0.851 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051722487 762795781 /nfs/dbraw/zinc/79/57/81/762795781.db2.gz LXIXBXKAJQGSBX-GARNVTTQSA-N 1 3 335.448 0.077 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001051751068 762874625 /nfs/dbraw/zinc/87/46/25/762874625.db2.gz SYEUZOJGVVOSCP-INIZCTEOSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1nccc1CCN1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776927 763106212 /nfs/dbraw/zinc/10/62/12/763106212.db2.gz MHCNTVFEACITPZ-QGZVFWFLSA-N 1 3 331.464 0.639 20 0 ECADHO CCn1cc(CCN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001046831241 763191205 /nfs/dbraw/zinc/19/12/05/763191205.db2.gz HZYMSWGJABASJC-SJLPKXTDSA-N 1 3 333.480 0.978 20 0 ECADHO CCn1cc(CCN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001046831241 763191206 /nfs/dbraw/zinc/19/12/06/763191206.db2.gz HZYMSWGJABASJC-SJLPKXTDSA-N 1 3 333.480 0.978 20 0 ECADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904401 763288821 /nfs/dbraw/zinc/28/88/21/763288821.db2.gz LGMYRQBZGHCGLS-MRXNPFEDSA-N 1 3 347.463 0.141 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@](C)(C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001046899522 763340799 /nfs/dbraw/zinc/34/07/99/763340799.db2.gz IRZITYRKUPULMU-CRAIPNDOSA-N 1 3 336.480 0.435 20 0 ECADHO Cc1ccc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)c(C)n1 ZINC001051930510 763363087 /nfs/dbraw/zinc/36/30/87/763363087.db2.gz NYYPRCYMQPYAMZ-ZWKOTPCHSA-N 1 3 346.475 0.967 20 0 ECADHO Cc1ccc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)c(C)n1 ZINC001051930510 763363095 /nfs/dbraw/zinc/36/30/95/763363095.db2.gz NYYPRCYMQPYAMZ-ZWKOTPCHSA-N 1 3 346.475 0.967 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCc3cncc(F)c3)C2)C1 ZINC001051931352 763365405 /nfs/dbraw/zinc/36/54/05/763365405.db2.gz YSFYOQAUPWUEBA-GOEBONIOSA-N 1 3 336.411 0.489 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCc3cncc(F)c3)C2)C1 ZINC001051931352 763365411 /nfs/dbraw/zinc/36/54/11/763365411.db2.gz YSFYOQAUPWUEBA-GOEBONIOSA-N 1 3 336.411 0.489 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCCC[C@H]2C)CC[N@@H+]1C ZINC001127691054 763544981 /nfs/dbraw/zinc/54/49/81/763544981.db2.gz ZNFFOQRPHDEFMU-OWCLPIDISA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCCC[C@H]2C)CC[N@H+]1C ZINC001127691054 763544985 /nfs/dbraw/zinc/54/49/85/763544985.db2.gz ZNFFOQRPHDEFMU-OWCLPIDISA-N 1 3 338.496 0.824 20 0 ECADHO Cc1nc(C)n(CCN2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001014963160 763557625 /nfs/dbraw/zinc/55/76/25/763557625.db2.gz NTNWBHMDKNZXPM-JKSUJKDBSA-N 1 3 334.468 0.570 20 0 ECADHO Cc1nc(C)n(CCN2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001014963160 763557632 /nfs/dbraw/zinc/55/76/32/763557632.db2.gz NTNWBHMDKNZXPM-JKSUJKDBSA-N 1 3 334.468 0.570 20 0 ECADHO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3C)C2)n1 ZINC001014963160 763557637 /nfs/dbraw/zinc/55/76/37/763557637.db2.gz NTNWBHMDKNZXPM-JKSUJKDBSA-N 1 3 334.468 0.570 20 0 ECADHO Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3C)C2)n1 ZINC001014963160 763557648 /nfs/dbraw/zinc/55/76/48/763557648.db2.gz NTNWBHMDKNZXPM-JKSUJKDBSA-N 1 3 334.468 0.570 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C(C)C)CC[N@@H+]1C ZINC001127705862 763664569 /nfs/dbraw/zinc/66/45/69/763664569.db2.gz HOLQWFPOFHEPBZ-SOUVJXGZSA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C(C)C)CC[N@H+]1C ZINC001127705862 763664576 /nfs/dbraw/zinc/66/45/76/763664576.db2.gz HOLQWFPOFHEPBZ-SOUVJXGZSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047385799 764182527 /nfs/dbraw/zinc/18/25/27/764182527.db2.gz ZATGFMUFLRRVHB-HOTGVXAUSA-N 1 3 337.468 0.218 20 0 ECADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706296 764290977 /nfs/dbraw/zinc/29/09/77/764290977.db2.gz LYBWOGJIBLCNDX-SOUVJXGZSA-N 1 3 326.485 0.727 20 0 ECADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706296 764290987 /nfs/dbraw/zinc/29/09/87/764290987.db2.gz LYBWOGJIBLCNDX-SOUVJXGZSA-N 1 3 326.485 0.727 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN([C@H]3CCCNC3=O)CC2)CC1 ZINC001052676660 764980455 /nfs/dbraw/zinc/98/04/55/764980455.db2.gz IRSRINJHTSAWNJ-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCn3cncn3)CC2)C1 ZINC001052713463 765032245 /nfs/dbraw/zinc/03/22/45/765032245.db2.gz XVKWLWCSTCYYLO-HZPDHXFCSA-N 1 3 334.468 0.591 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)CC2)C1 ZINC001052713463 765032249 /nfs/dbraw/zinc/03/22/49/765032249.db2.gz XVKWLWCSTCYYLO-HZPDHXFCSA-N 1 3 334.468 0.591 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCN(CCCO)C2)[C@@H](c2ccccc2)C1 ZINC001015733320 765250953 /nfs/dbraw/zinc/25/09/53/765250953.db2.gz PSFITUZLDWLTDD-KURKYZTESA-N 1 3 331.460 0.905 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N[C@@H]2CCN(CCCO)C2)[C@@H](c2ccccc2)C1 ZINC001015733320 765250960 /nfs/dbraw/zinc/25/09/60/765250960.db2.gz PSFITUZLDWLTDD-KURKYZTESA-N 1 3 331.460 0.905 20 0 ECADHO O=C(N[C@H]1CCCN([C@@H]2CCCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001052871470 765265698 /nfs/dbraw/zinc/26/56/98/765265698.db2.gz JKZTVEWXJRNXBO-LSDHHAIUSA-N 1 3 334.464 0.332 20 0 ECADHO CC[C@@H](CN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)OC ZINC001015827529 765391471 /nfs/dbraw/zinc/39/14/71/765391471.db2.gz SDPLMKDLKYOCRP-CVEARBPZSA-N 1 3 337.468 0.674 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000992122034 765568605 /nfs/dbraw/zinc/56/86/05/765568605.db2.gz ZZZYLDGSIMZBIQ-MOKVOYLWSA-N 1 3 333.436 0.223 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000992122034 765568614 /nfs/dbraw/zinc/56/86/14/765568614.db2.gz ZZZYLDGSIMZBIQ-MOKVOYLWSA-N 1 3 333.436 0.223 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001053114590 765599221 /nfs/dbraw/zinc/59/92/21/765599221.db2.gz LCFFCKNIUJGREA-CABCVRRESA-N 1 3 326.485 0.491 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001077496647 765662242 /nfs/dbraw/zinc/66/22/42/765662242.db2.gz DEVRGJFVIPJDCP-GXTWGEPZSA-N 1 3 335.452 0.613 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001077496647 765662245 /nfs/dbraw/zinc/66/22/45/765662245.db2.gz DEVRGJFVIPJDCP-GXTWGEPZSA-N 1 3 335.452 0.613 20 0 ECADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001053290879 765919207 /nfs/dbraw/zinc/91/92/07/765919207.db2.gz WRWXQHIUSCICTG-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCn2cncn2)C1 ZINC001045891274 766473215 /nfs/dbraw/zinc/47/32/15/766473215.db2.gz KCKODRHGHVZESY-OAGGEKHMSA-N 1 3 332.452 0.295 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCn2cncn2)C1 ZINC001045891274 766473221 /nfs/dbraw/zinc/47/32/21/766473221.db2.gz KCKODRHGHVZESY-OAGGEKHMSA-N 1 3 332.452 0.295 20 0 ECADHO C[C@@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035532 766721541 /nfs/dbraw/zinc/72/15/41/766721541.db2.gz OLSCUDVGKDVHTE-CVEARBPZSA-N 1 3 338.496 0.070 20 0 ECADHO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035532 766721546 /nfs/dbraw/zinc/72/15/46/766721546.db2.gz OLSCUDVGKDVHTE-CVEARBPZSA-N 1 3 338.496 0.070 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707652 766767160 /nfs/dbraw/zinc/76/71/60/766767160.db2.gz YZKNKFYNHOEUAF-CABCVRRESA-N 1 3 348.491 0.720 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CC23CCN([C@H]2CCCNC2=O)CC3)CC1 ZINC001016809606 766966304 /nfs/dbraw/zinc/96/63/04/766966304.db2.gz ZEUBELGIVILGIG-JKSUJKDBSA-N 1 3 348.491 0.578 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000994855627 767044777 /nfs/dbraw/zinc/04/47/77/767044777.db2.gz SLGPJNGNJDVWBN-HUUCEWRRSA-N 1 3 331.420 0.296 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000994855627 767044787 /nfs/dbraw/zinc/04/47/87/767044787.db2.gz SLGPJNGNJDVWBN-HUUCEWRRSA-N 1 3 331.420 0.296 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCn2cncn2)C1 ZINC001089732091 767134695 /nfs/dbraw/zinc/13/46/95/767134695.db2.gz LYQAIASBFKOVIQ-CVEARBPZSA-N 1 3 348.495 0.837 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCn2cncn2)C1 ZINC001089732091 767134696 /nfs/dbraw/zinc/13/46/96/767134696.db2.gz LYQAIASBFKOVIQ-CVEARBPZSA-N 1 3 348.495 0.837 20 0 ECADHO Cn1nccc1CCN1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046319578 767145465 /nfs/dbraw/zinc/14/54/65/767145465.db2.gz UXSMECYCAFHDLS-IEBWSBKVSA-N 1 3 345.491 0.885 20 0 ECADHO CO[C@@H](C)CN1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326866 767150385 /nfs/dbraw/zinc/15/03/85/767150385.db2.gz XFTBODQLJYRHPR-YOEHRIQHSA-N 1 3 337.468 0.674 20 0 ECADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633199 768530317 /nfs/dbraw/zinc/53/03/17/768530317.db2.gz CRCXLDRBKDXGNU-LVQVYYBASA-N 1 3 329.485 0.264 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1)N(C)C ZINC001106674499 768585429 /nfs/dbraw/zinc/58/54/29/768585429.db2.gz YIVFEUBCCSQSOF-OIISXLGYSA-N 1 3 335.496 0.987 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1)N(C)C ZINC001055375771 768831513 /nfs/dbraw/zinc/83/15/13/768831513.db2.gz YHXATLKKNSSLJS-UXLLHSPISA-N 1 3 338.496 0.441 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000993808417 769655526 /nfs/dbraw/zinc/65/55/26/769655526.db2.gz SBTRGDBAHSFTKR-CVEARBPZSA-N 1 3 338.496 0.774 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000993808417 769655532 /nfs/dbraw/zinc/65/55/32/769655532.db2.gz SBTRGDBAHSFTKR-CVEARBPZSA-N 1 3 338.496 0.774 20 0 ECADHO CNC(=O)c1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001018634546 769686571 /nfs/dbraw/zinc/68/65/71/769686571.db2.gz KFTQMCQNKMACAF-DLBZAZTESA-N 1 3 344.459 0.831 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001018637404 769693578 /nfs/dbraw/zinc/69/35/78/769693578.db2.gz YMAAWBRKDZSTDC-KBPBESRZSA-N 1 3 325.844 0.821 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000993840604 769734696 /nfs/dbraw/zinc/73/46/96/769734696.db2.gz DYQMPBNEFQWGTQ-OKILXGFUSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000993840604 769734706 /nfs/dbraw/zinc/73/47/06/769734706.db2.gz DYQMPBNEFQWGTQ-OKILXGFUSA-N 1 3 336.480 0.671 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000993879178 769777246 /nfs/dbraw/zinc/77/72/46/769777246.db2.gz LLTYUMNXUWFBEW-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000993879178 769777255 /nfs/dbraw/zinc/77/72/55/769777255.db2.gz LLTYUMNXUWFBEW-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1)C1CC1 ZINC001019037887 770622923 /nfs/dbraw/zinc/62/29/23/770622923.db2.gz 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ZINC001073632052 786821600 /nfs/dbraw/zinc/82/16/00/786821600.db2.gz WVQAJLMQRAXGLL-IAGOWNOFSA-N 1 3 341.496 0.554 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001073632052 786821608 /nfs/dbraw/zinc/82/16/08/786821608.db2.gz WVQAJLMQRAXGLL-IAGOWNOFSA-N 1 3 341.496 0.554 20 0 ECADHO CC(C)[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700769 787002895 /nfs/dbraw/zinc/00/28/95/787002895.db2.gz WITBOAANBDJCPH-NDUQDZPOSA-N 1 3 337.464 0.465 20 0 ECADHO CC(C)[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700769 787002904 /nfs/dbraw/zinc/00/29/04/787002904.db2.gz WITBOAANBDJCPH-NDUQDZPOSA-N 1 3 337.464 0.465 20 0 ECADHO O=C(NC[C@H]1C[N@H+](CC2CC2)CCCO1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001073710313 787020494 /nfs/dbraw/zinc/02/04/94/787020494.db2.gz XCBGMBKCBKMVSS-DHADLLTHSA-N 1 3 349.475 0.467 20 0 ECADHO O=C(NC[C@H]1C[N@@H+](CC2CC2)CCCO1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001073710313 787020505 /nfs/dbraw/zinc/02/05/05/787020505.db2.gz XCBGMBKCBKMVSS-DHADLLTHSA-N 1 3 349.475 0.467 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN(CCCO)CCCO2)CC1 ZINC001073841186 787327289 /nfs/dbraw/zinc/32/72/89/787327289.db2.gz DBGSZYZFJDNMBW-QGZVFWFLSA-N 1 3 341.496 0.696 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001073841838 787328395 /nfs/dbraw/zinc/32/83/95/787328395.db2.gz UNACOLVINGMMNU-QGZVFWFLSA-N 1 3 341.496 0.960 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001072624072 788455741 /nfs/dbraw/zinc/45/57/41/788455741.db2.gz IQLZQOYPZZBLFM-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)[C@@H]1C ZINC001074877842 788477497 /nfs/dbraw/zinc/47/74/97/788477497.db2.gz OUTWQWBNFWZYJK-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001072667574 788549711 /nfs/dbraw/zinc/54/97/11/788549711.db2.gz BDBAXCGLEZJKFG-GOEBONIOSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)CC[NH+](C)C ZINC001075035102 788766084 /nfs/dbraw/zinc/76/60/84/788766084.db2.gz YBVVYBHZRRYYDH-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CCc1cnn(C)c1)C2)C1CCC1 ZINC001072816209 788876787 /nfs/dbraw/zinc/87/67/87/788876787.db2.gz SEPLTWOIPNNQAI-UHFFFAOYSA-N 1 3 345.491 0.981 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCc1cnn(C)c1)C2)C1CCC1 ZINC001072816209 788876799 /nfs/dbraw/zinc/87/67/99/788876799.db2.gz SEPLTWOIPNNQAI-UHFFFAOYSA-N 1 3 345.491 0.981 20 0 ECADHO C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001075128654 788946048 /nfs/dbraw/zinc/94/60/48/788946048.db2.gz RWUNVBBSNMDDEH-JYJNAYRXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001075136654 788963130 /nfs/dbraw/zinc/96/31/30/788963130.db2.gz FSSVWEAPKLXGHC-ZIAGYGMSSA-N 1 3 335.452 0.790 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001075155645 788993722 /nfs/dbraw/zinc/99/37/22/788993722.db2.gz LIZYFEUXTRWEDE-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001072979963 789204432 /nfs/dbraw/zinc/20/44/32/789204432.db2.gz SYMAKYGEVSPBHZ-OAHLLOKOSA-N 1 3 349.479 0.030 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001072979963 789204435 /nfs/dbraw/zinc/20/44/35/789204435.db2.gz SYMAKYGEVSPBHZ-OAHLLOKOSA-N 1 3 349.479 0.030 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001075379261 789305613 /nfs/dbraw/zinc/30/56/13/789305613.db2.gz FSVZDFQPWQCLFA-NVXWUHKLSA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001075379261 789305623 /nfs/dbraw/zinc/30/56/23/789305623.db2.gz FSVZDFQPWQCLFA-NVXWUHKLSA-N 1 3 346.479 0.893 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2C[C@H]([NH2+]CCO)CCO2)CC1 ZINC001075395651 789322634 /nfs/dbraw/zinc/32/26/34/789322634.db2.gz UDLPEWBWFPPHSH-ZBFHGGJFSA-N 1 3 336.436 0.320 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCN(CCn2cncn2)C3)C1 ZINC001073127823 789486862 /nfs/dbraw/zinc/48/68/62/789486862.db2.gz HOGLCNPEEGTPID-HNNXBMFYSA-N 1 3 332.452 0.154 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCN(CCn2cncn2)C3)C1 ZINC001073127823 789486866 /nfs/dbraw/zinc/48/68/66/789486866.db2.gz HOGLCNPEEGTPID-HNNXBMFYSA-N 1 3 332.452 0.154 20 0 ECADHO CCN1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970649 790259668 /nfs/dbraw/zinc/25/96/68/790259668.db2.gz RRDLAJBXHMRJBQ-CABCVRRESA-N 1 3 325.376 0.601 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)CCC[NH+](C)C ZINC001067009814 792568679 /nfs/dbraw/zinc/56/86/79/792568679.db2.gz BQWZMDOLVCNBLN-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NCC(C)(C)C)C1 ZINC001267429323 837401590 /nfs/dbraw/zinc/40/15/90/837401590.db2.gz XFBWPUYMPPAVIW-AWEZNQCLSA-N 1 3 326.485 0.539 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NCC(C)(C)C)C1 ZINC001267429323 837401595 /nfs/dbraw/zinc/40/15/95/837401595.db2.gz XFBWPUYMPPAVIW-AWEZNQCLSA-N 1 3 326.485 0.539 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N(C)CCNCC(=O)NCC2CC2)CC1 ZINC001267450944 837431221 /nfs/dbraw/zinc/43/12/21/837431221.db2.gz YIKVWSFOKAUDGI-UHFFFAOYSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CCNCc1cccc(C(N)=O)c1)[NH+](C)C ZINC001267459266 837447669 /nfs/dbraw/zinc/44/76/69/837447669.db2.gz QBBWWOCVHYDAOF-INIZCTEOSA-N 1 3 334.464 0.920 20 0 ECADHO CCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001266531116 835947669 /nfs/dbraw/zinc/94/76/69/835947669.db2.gz SLZXOOUCLVIUOA-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CN(CC(=O)N1CC[C@H]([NH2+]CCCS(C)(=O)=O)C1)CC(C)(C)C ZINC001266549775 835974837 /nfs/dbraw/zinc/97/48/37/835974837.db2.gz GZGKTOXYSPLKFC-AWEZNQCLSA-N 1 3 347.525 0.590 20 0 ECADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001266879532 836426701 /nfs/dbraw/zinc/42/67/01/836426701.db2.gz BFKWEWJUDHLXMT-JKSUJKDBSA-N 1 3 336.484 0.835 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001414160973 837009723 /nfs/dbraw/zinc/00/97/23/837009723.db2.gz SWZISWNNUMAGCF-GDBMZVCRSA-N 1 3 326.485 0.584 20 0 ECADHO CCC[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267373364 837277171 /nfs/dbraw/zinc/27/71/71/837277171.db2.gz AJYHBLOJJMKWEO-ZBFHGGJFSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001408693800 838009892 /nfs/dbraw/zinc/00/98/92/838009892.db2.gz PDEHTHNYEZLCGQ-HOCLYGCPSA-N 1 3 336.480 0.245 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001408843025 838635075 /nfs/dbraw/zinc/63/50/75/838635075.db2.gz VKQNCCUDDMUYGW-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@H]2CCC(=O)NC2=O)CCCC1 ZINC001267847606 838645710 /nfs/dbraw/zinc/64/57/10/838645710.db2.gz ZYJOCLRQDODNPH-ZDUSSCGKSA-N 1 3 338.452 0.150 20 0 ECADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522635 214377922 /nfs/dbraw/zinc/37/79/22/214377922.db2.gz PNOIPFBJLRPHMX-CQSZACIVSA-N 1 3 338.496 0.763 20 0 ECADHO COC(=O)C1CCC([NH2+]CCCCN2CCN(CCO)CC2)CC1 ZINC000426034119 210128753 /nfs/dbraw/zinc/12/87/53/210128753.db2.gz FGSSZMZKQRFMTC-UHFFFAOYSA-N 1 3 341.496 0.698 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000420007392 295860079 /nfs/dbraw/zinc/86/00/79/295860079.db2.gz SLMOFEXOBJLKKO-HNNXBMFYSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000355273915 299228602 /nfs/dbraw/zinc/22/86/02/299228602.db2.gz CGIWCHROWMVLPG-HUUCEWRRSA-N 1 3 342.484 0.060 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419695295 283385233 /nfs/dbraw/zinc/38/52/33/283385233.db2.gz KUEZIHLQACNTRW-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000420428903 209364732 /nfs/dbraw/zinc/36/47/32/209364732.db2.gz LTULRDDLKRHNNY-BXUZGUMPSA-N 1 3 343.497 0.480 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420374657 209359376 /nfs/dbraw/zinc/35/93/76/209359376.db2.gz HVHVLVVXHFQQDR-CABCVRRESA-N 1 3 333.498 0.534 20 0 ECADHO COC(=O)c1cccc(OCCN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348271 209355434 /nfs/dbraw/zinc/35/54/34/209355434.db2.gz KLUIHTKSDHAHBF-INIZCTEOSA-N 1 3 333.432 0.832 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NCc1ccc2c(c1)CNC2)C(C)C ZINC000420109969 209309354 /nfs/dbraw/zinc/30/93/54/209309354.db2.gz YUAIETCIZXBVFG-UHFFFAOYSA-N 1 3 332.448 0.753 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NCc1ccc2c(c1)CNC2)C(C)C ZINC000420109969 209309356 /nfs/dbraw/zinc/30/93/56/209309356.db2.gz YUAIETCIZXBVFG-UHFFFAOYSA-N 1 3 332.448 0.753 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N1CCC[C@@H](C)C1 ZINC000420074584 209299354 /nfs/dbraw/zinc/29/93/54/209299354.db2.gz QTNDMHPWYQXOEJ-YCPHGPKFSA-N 1 3 338.496 0.857 20 0 ECADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420058548 209292695 /nfs/dbraw/zinc/29/26/95/209292695.db2.gz FFCVKOXDWBGJBV-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420058548 209292698 /nfs/dbraw/zinc/29/26/98/209292698.db2.gz FFCVKOXDWBGJBV-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420054250 209290895 /nfs/dbraw/zinc/29/08/95/209290895.db2.gz FGNDNKNVIVMXAB-AWEZNQCLSA-N 1 3 338.477 0.492 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000423226289 283679314 /nfs/dbraw/zinc/67/93/14/283679314.db2.gz QDTWLTSDMFPBML-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)o1 ZINC000419854179 209226753 /nfs/dbraw/zinc/22/67/53/209226753.db2.gz BJOKEJSVCHHGMA-HNNXBMFYSA-N 1 3 336.436 0.332 20 0 ECADHO CC(C)C[C@@H](CNC(=O)C(=O)NCC[NH3+])N[C@H](C)c1ccccc1 ZINC000419831200 209215976 /nfs/dbraw/zinc/21/59/76/209215976.db2.gz HBTJAPHKOPJQSI-ZBFHGGJFSA-N 1 3 334.464 0.943 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H](CN)C1CCCCC1)C[NH+]1CCCC1 ZINC000419818609 209212832 /nfs/dbraw/zinc/21/28/32/209212832.db2.gz JIDURRNZGMCCHU-HOCLYGCPSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000418832141 291381169 /nfs/dbraw/zinc/38/11/69/291381169.db2.gz YZYNOWQVITXOTQ-QFBILLFUSA-N 1 3 344.459 0.717 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN)C(C)C ZINC000419793458 209206534 /nfs/dbraw/zinc/20/65/34/209206534.db2.gz BTZOJPLQWJVOFC-LSDHHAIUSA-N 1 3 326.485 0.807 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000419770876 209201210 /nfs/dbraw/zinc/20/12/10/209201210.db2.gz XEHZBGQPXCDXSG-WMLDXEAASA-N 1 3 346.475 0.724 20 0 ECADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000419766598 209200450 /nfs/dbraw/zinc/20/04/50/209200450.db2.gz RTDCBGYGANHXIF-INIZCTEOSA-N 1 3 346.475 0.867 20 0 ECADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419723870 209188722 /nfs/dbraw/zinc/18/87/22/209188722.db2.gz OYKQNWBZZXGPRJ-QGZVFWFLSA-N 1 3 344.459 0.635 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000246747946 243306834 /nfs/dbraw/zinc/30/68/34/243306834.db2.gz ZPHPPCGKCBBMQM-ULQDDVLXSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000423200437 296125478 /nfs/dbraw/zinc/12/54/78/296125478.db2.gz FOPAPWLOHQNALX-CYBMUJFWSA-N 1 3 326.466 0.614 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3(N)CC3)c2)C1 ZINC000262707834 245133024 /nfs/dbraw/zinc/13/30/24/245133024.db2.gz NLZATTLAECOSIM-OAHLLOKOSA-N 1 3 330.432 0.491 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C3(N)CC3)c2)C1 ZINC000262707834 245133032 /nfs/dbraw/zinc/13/30/32/245133032.db2.gz NLZATTLAECOSIM-OAHLLOKOSA-N 1 3 330.432 0.491 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C1=CCN(C)CC1 ZINC000419632887 209150796 /nfs/dbraw/zinc/15/07/96/209150796.db2.gz YDMYUKLEVUDXAX-ZFWWWQNUSA-N 1 3 336.480 0.647 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000419625457 209148429 /nfs/dbraw/zinc/14/84/29/209148429.db2.gz BDQTUFDKVRLMRP-INIZCTEOSA-N 1 3 332.448 0.704 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000419585907 209132870 /nfs/dbraw/zinc/13/28/70/209132870.db2.gz NMVFGUVGGNCCQF-BLLLJJGKSA-N 1 3 342.509 0.126 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000111866975 220213727 /nfs/dbraw/zinc/21/37/27/220213727.db2.gz QPHOZKXZCUEKHS-HOTGVXAUSA-N 1 3 342.484 0.507 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000111866975 220213729 /nfs/dbraw/zinc/21/37/29/220213729.db2.gz QPHOZKXZCUEKHS-HOTGVXAUSA-N 1 3 342.484 0.507 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@](C)(O)C(C)=O)CC1 ZINC000450263310 211316008 /nfs/dbraw/zinc/31/60/08/211316008.db2.gz BHVQDIYNVVYEJQ-SFHVURJKSA-N 1 3 341.496 0.887 20 0 ECADHO CCN1CCC[C@@H]1CNc1nc(C)nc(NC[C@H]2CCC[N@@H+]2CC)n1 ZINC000450214178 211313999 /nfs/dbraw/zinc/31/39/99/211313999.db2.gz GWHGFRMMBKGVER-HZPDHXFCSA-N 1 3 347.511 0.816 20 0 ECADHO CCN1CCC[C@@H]1CNc1nc(C)nc(NC[C@H]2CCC[N@H+]2CC)n1 ZINC000450214178 211314006 /nfs/dbraw/zinc/31/40/06/211314006.db2.gz GWHGFRMMBKGVER-HZPDHXFCSA-N 1 3 347.511 0.816 20 0 ECADHO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[C@H](N2CCCCC2)C1 ZINC000424141227 296279931 /nfs/dbraw/zinc/27/99/31/296279931.db2.gz CHUWEVJMNFOREM-CABCVRRESA-N 1 3 332.452 0.903 20 0 ECADHO CN(C(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CCN(CCn2cccn2)CC1 ZINC000444272702 211065252 /nfs/dbraw/zinc/06/52/52/211065252.db2.gz YLJVBMMVIQSUSP-AEFFLSMTSA-N 1 3 331.464 0.806 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420101978 209305612 /nfs/dbraw/zinc/30/56/12/209305612.db2.gz MLHDFZVJLFBVFC-KRWDZBQOSA-N 1 3 326.485 0.539 20 0 ECADHO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CC[C@H](N2CCCCC2)C1 ZINC000433392979 296306748 /nfs/dbraw/zinc/30/67/48/296306748.db2.gz ZXIDJVLVBGHQCY-CABCVRRESA-N 1 3 332.452 0.903 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCn4cncn4)C3)C2)C1 ZINC001041677943 781972014 /nfs/dbraw/zinc/97/20/14/781972014.db2.gz DZEHULLPLASNEM-FUHWJXTLSA-N 1 3 346.479 0.544 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCn4cncn4)C3)C2)C1 ZINC001041677943 781972025 /nfs/dbraw/zinc/97/20/25/781972025.db2.gz DZEHULLPLASNEM-FUHWJXTLSA-N 1 3 346.479 0.544 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410882349 208013825 /nfs/dbraw/zinc/01/38/25/208013825.db2.gz FGIAUURDINPLFL-HOTGVXAUSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410882349 208013832 /nfs/dbraw/zinc/01/38/32/208013832.db2.gz FGIAUURDINPLFL-HOTGVXAUSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]1CN ZINC000419528554 296365534 /nfs/dbraw/zinc/36/55/34/296365534.db2.gz WJVPFCJLOGDKOK-PRLABOORSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000430556201 210381548 /nfs/dbraw/zinc/38/15/48/210381548.db2.gz KDYYRCPKHWBGPU-CVEARBPZSA-N 1 3 346.479 0.575 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000430556202 210381020 /nfs/dbraw/zinc/38/10/20/210381020.db2.gz KDYYRCPKHWBGPU-HOTGVXAUSA-N 1 3 346.479 0.575 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000422308491 285195367 /nfs/dbraw/zinc/19/53/67/285195367.db2.gz QHCCNTGEPZJEAA-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000422308491 285195368 /nfs/dbraw/zinc/19/53/68/285195368.db2.gz QHCCNTGEPZJEAA-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO [NH3+]CCCNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419146809 209000122 /nfs/dbraw/zinc/00/01/22/209000122.db2.gz IOHRZJVHNJKUEC-ZDUSSCGKSA-N 1 3 338.477 0.541 20 0 ECADHO COC(=O)N1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000495850920 255049876 /nfs/dbraw/zinc/04/98/76/255049876.db2.gz PNAGJTMSQWJDBD-UHFFFAOYSA-N 1 3 343.472 0.352 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419427231 209092715 /nfs/dbraw/zinc/09/27/15/209092715.db2.gz RMIZSGDOKKOEFO-CQSZACIVSA-N 1 3 332.448 0.262 20 0 ECADHO CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)NCCN)c2)CC1 ZINC000419206050 209024088 /nfs/dbraw/zinc/02/40/88/209024088.db2.gz MHUMTLHLMHGXJT-UHFFFAOYSA-N 1 3 332.448 0.610 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000419266110 209045078 /nfs/dbraw/zinc/04/50/78/209045078.db2.gz FVZIHIONCFXOHI-QGZVFWFLSA-N 1 3 344.459 0.752 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000419223039 209030714 /nfs/dbraw/zinc/03/07/14/209030714.db2.gz YAQOUAUVPRFRIU-UHFFFAOYSA-N 1 3 348.447 0.241 20 0 ECADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)N(C)CCN ZINC000419223818 209031809 /nfs/dbraw/zinc/03/18/09/209031809.db2.gz DSNXLIBPYLVBIG-GJZGRUSLSA-N 1 3 346.475 0.676 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419226263 209032641 /nfs/dbraw/zinc/03/26/41/209032641.db2.gz IMUKGHCWCALHTJ-OAHLLOKOSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC[C@H]1[NH3+] ZINC000419230691 209034494 /nfs/dbraw/zinc/03/44/94/209034494.db2.gz QHFSEYSWRIWULS-FVQBIDKESA-N 1 3 336.480 0.563 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419288209 209050444 /nfs/dbraw/zinc/05/04/44/209050444.db2.gz RFOGNIKFIOOAEJ-OAHLLOKOSA-N 1 3 326.485 0.858 20 0 ECADHO CCCN(C(=O)C(=O)NCCN1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000419417847 209089896 /nfs/dbraw/zinc/08/98/96/209089896.db2.gz XQNNDLTXYWESEE-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000419368060 209071670 /nfs/dbraw/zinc/07/16/70/209071670.db2.gz FDDPZGNCHVMSOJ-DLBZAZTESA-N 1 3 346.475 0.534 20 0 ECADHO C[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000333701429 297147913 /nfs/dbraw/zinc/14/79/13/297147913.db2.gz DJWNUTXEWNCTTE-HUUCEWRRSA-N 1 3 325.501 0.700 20 0 ECADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000249488841 165199112 /nfs/dbraw/zinc/19/91/12/165199112.db2.gz YUXSXCNMMJAVRG-HUUCEWRRSA-N 1 3 342.484 0.949 20 0 ECADHO Cc1cccn2c(=O)cc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)nc12 ZINC000261643821 165220712 /nfs/dbraw/zinc/22/07/12/165220712.db2.gz ITNJIHVFLIUOHT-CQSZACIVSA-N 1 3 343.431 0.290 20 0 ECADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CNC2 ZINC000261815002 165247123 /nfs/dbraw/zinc/24/71/23/165247123.db2.gz JXOWLFGSEFAKFW-AWEZNQCLSA-N 1 3 342.365 0.856 20 0 ECADHO Cn1c2ccc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2sc1=O ZINC000261927623 165264100 /nfs/dbraw/zinc/26/41/00/165264100.db2.gz LDLBQHRILJXJET-CYBMUJFWSA-N 1 3 348.472 0.887 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)CC1=O ZINC000262598815 165366062 /nfs/dbraw/zinc/36/60/62/165366062.db2.gz WMVKWLQFSKMPBJ-ARFHVFGLSA-N 1 3 336.480 0.435 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000262767747 165385347 /nfs/dbraw/zinc/38/53/47/165385347.db2.gz AWVOZJRWQRFHKI-ROUUACIJSA-N 1 3 349.475 0.912 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])Cc1ccccc1 ZINC000419393186 209077602 /nfs/dbraw/zinc/07/76/02/209077602.db2.gz MBMDHRMEDKSHJF-NVXWUHKLSA-N 1 3 348.491 0.861 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCCCC1 ZINC000331617828 296948016 /nfs/dbraw/zinc/94/80/16/296948016.db2.gz KOYCSVVSTFOYLV-HNNXBMFYSA-N 1 3 336.480 0.851 20 0 ECADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)n1 ZINC000633012579 421191249 /nfs/dbraw/zinc/19/12/49/421191249.db2.gz GPQDOFRORQRJAS-ZDUSSCGKSA-N 1 3 336.440 0.113 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000283366285 264110306 /nfs/dbraw/zinc/11/03/06/264110306.db2.gz IBWRXMLRZUQCEJ-KRWDZBQOSA-N 1 3 346.475 0.960 20 0 ECADHO CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000283366285 264110308 /nfs/dbraw/zinc/11/03/08/264110308.db2.gz IBWRXMLRZUQCEJ-KRWDZBQOSA-N 1 3 346.475 0.960 20 0 ECADHO Cc1ccc([C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)N(C)C)cc1 ZINC000285134141 264282970 /nfs/dbraw/zinc/28/29/70/264282970.db2.gz OJLQOVDZGWQROR-INIZCTEOSA-N 1 3 334.464 0.734 20 0 ECADHO CN(CCCN(C)C(=O)C(=O)N(C)CC[NH+](C)C)Cc1ccco1 ZINC000297999773 265212445 /nfs/dbraw/zinc/21/24/45/265212445.db2.gz ISZAYXRJSAXXOE-UHFFFAOYSA-N 1 3 338.452 0.580 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415870595 273797637 /nfs/dbraw/zinc/79/76/37/273797637.db2.gz PDJHGYXAGQVAMS-HOTGVXAUSA-N 1 3 344.459 0.797 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418832835 274399507 /nfs/dbraw/zinc/39/95/07/274399507.db2.gz HPNDABLQJSBTSW-DJIMGWMZSA-N 1 3 346.475 0.471 20 0 ECADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCN1CC[NH2+]CC1 ZINC000414784162 274494929 /nfs/dbraw/zinc/49/49/29/274494929.db2.gz ROSRELJVTYTVID-OAHLLOKOSA-N 1 3 325.478 0.734 20 0 ECADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000422983555 276199078 /nfs/dbraw/zinc/19/90/78/276199078.db2.gz ZYEJWYRASSUAPI-BRSBDYLESA-N 1 3 325.497 0.826 20 0 ECADHO CNC(=O)[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000245686493 277007262 /nfs/dbraw/zinc/00/72/62/277007262.db2.gz NBYCHSOIFKFCBR-ARFHVFGLSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000245686493 277007263 /nfs/dbraw/zinc/00/72/63/277007263.db2.gz NBYCHSOIFKFCBR-ARFHVFGLSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCCN([C@@H](C)CC[N@@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000245686493 277007265 /nfs/dbraw/zinc/00/72/65/277007265.db2.gz NBYCHSOIFKFCBR-ARFHVFGLSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCCN([C@@H](C)CC[N@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000245686493 277007266 /nfs/dbraw/zinc/00/72/66/277007266.db2.gz NBYCHSOIFKFCBR-ARFHVFGLSA-N 1 3 338.496 0.681 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000419693486 277020926 /nfs/dbraw/zinc/02/09/26/277020926.db2.gz IWPRBEMRGRTYPR-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCN(CCCNC(=O)NCC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000417013135 277105132 /nfs/dbraw/zinc/10/51/32/277105132.db2.gz BRJSVQYJOLZPQR-SFHVURJKSA-N 1 3 345.491 0.884 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000423159247 277268954 /nfs/dbraw/zinc/26/89/54/277268954.db2.gz FOPZIAVCWSPLGF-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074253843 277385768 /nfs/dbraw/zinc/38/57/68/277385768.db2.gz GBRWRDSYMVMHBR-HNNXBMFYSA-N 1 3 338.496 0.633 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000340207469 437597550 /nfs/dbraw/zinc/59/75/50/437597550.db2.gz VWGSOSVLJSGLNK-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000340207469 437597554 /nfs/dbraw/zinc/59/75/54/437597554.db2.gz VWGSOSVLJSGLNK-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO COCCN1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000360411821 437598669 /nfs/dbraw/zinc/59/86/69/437598669.db2.gz CXEUSNXQZGBLPP-MRXNPFEDSA-N 1 3 344.525 0.834 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419693062 278227735 /nfs/dbraw/zinc/22/77/35/278227735.db2.gz HZGBYBKFXANYNM-ZNMIVQPWSA-N 1 3 336.480 0.705 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000449736690 279305098 /nfs/dbraw/zinc/30/50/98/279305098.db2.gz XGYOPUPQKCPOMJ-YLFCFFPRSA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1=O ZINC000435242456 279305177 /nfs/dbraw/zinc/30/51/77/279305177.db2.gz ZUPOMXGAZOXNPM-DJIMGWMZSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)N(C)C(=O)C1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000424339879 279319403 /nfs/dbraw/zinc/31/94/03/279319403.db2.gz XCZMZVRMIWBITH-HZPDHXFCSA-N 1 3 338.496 0.951 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000262608182 279331066 /nfs/dbraw/zinc/33/10/66/279331066.db2.gz CIJDXGDRJIVXQQ-NCOADZHNSA-N 1 3 348.491 0.672 20 0 ECADHO NCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000419208200 279628413 /nfs/dbraw/zinc/62/84/13/279628413.db2.gz QTZVZFPFVADAIS-UHFFFAOYSA-N 1 3 332.448 0.754 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000340214414 437604177 /nfs/dbraw/zinc/60/41/77/437604177.db2.gz MKOJPNVDIVJMEP-HUUCEWRRSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000340214414 437604179 /nfs/dbraw/zinc/60/41/79/437604179.db2.gz MKOJPNVDIVJMEP-HUUCEWRRSA-N 1 3 336.480 0.435 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000410777817 289290063 /nfs/dbraw/zinc/29/00/63/289290063.db2.gz CZIJIRUCJPLJDD-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000410777817 289290065 /nfs/dbraw/zinc/29/00/65/289290065.db2.gz CZIJIRUCJPLJDD-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420072947 289406104 /nfs/dbraw/zinc/40/61/04/289406104.db2.gz XQKXPOZVUVKYQC-VNQPRFMTSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](NC(=O)NC[C@@H](O)CN1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418307660 289868344 /nfs/dbraw/zinc/86/83/44/289868344.db2.gz DSUWCNHXTACDDL-HRCADAONSA-N 1 3 326.485 0.767 20 0 ECADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419884502 289880703 /nfs/dbraw/zinc/88/07/03/289880703.db2.gz NWOQRKBKWGXKOB-INIZCTEOSA-N 1 3 344.459 0.588 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]1CN ZINC000423728552 290421031 /nfs/dbraw/zinc/42/10/31/290421031.db2.gz JVFJWQOSHFWRGE-HOCLYGCPSA-N 1 3 336.480 0.659 20 0 ECADHO COC[C@H](C)OC[C@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000447295842 293042690 /nfs/dbraw/zinc/04/26/90/293042690.db2.gz MPHUSCDYXDAVTD-SOLBZPMBSA-N 1 3 343.512 0.499 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332113043 297003390 /nfs/dbraw/zinc/00/33/90/297003390.db2.gz CNQIYNFXZAOSKS-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332113043 297003392 /nfs/dbraw/zinc/00/33/92/297003392.db2.gz CNQIYNFXZAOSKS-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC[N@@H+]1C ZINC000332322516 297030707 /nfs/dbraw/zinc/03/07/07/297030707.db2.gz LMUXADFVDKDIQG-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC[N@H+]1C ZINC000332322516 297030708 /nfs/dbraw/zinc/03/07/08/297030708.db2.gz LMUXADFVDKDIQG-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000332402444 297037726 /nfs/dbraw/zinc/03/77/26/297037726.db2.gz GUUNIIYJJGGTBO-BZUAXINKSA-N 1 3 336.480 0.387 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000418684682 295275211 /nfs/dbraw/zinc/27/52/11/295275211.db2.gz LNOGVENFRSSFND-JYJNAYRXSA-N 1 3 326.485 0.898 20 0 ECADHO N[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000419907308 295294220 /nfs/dbraw/zinc/29/42/20/295294220.db2.gz BTGIGVZPWSITQX-SJORKVTESA-N 1 3 344.459 0.889 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420162464 295639092 /nfs/dbraw/zinc/63/90/92/295639092.db2.gz IONKOEPXTBAVOB-INIZCTEOSA-N 1 3 334.464 0.499 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)CN1CCN(C)CC1 ZINC000332925966 297089264 /nfs/dbraw/zinc/08/92/64/297089264.db2.gz QMBHXONWCUFAII-IXDOHACOSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)CN1CCN(C)CC1 ZINC000332925966 297089265 /nfs/dbraw/zinc/08/92/65/297089265.db2.gz QMBHXONWCUFAII-IXDOHACOSA-N 1 3 337.512 0.796 20 0 ECADHO CN1CC[C@H]2CCN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)[C@H]2C1 ZINC000333401450 297131387 /nfs/dbraw/zinc/13/13/87/297131387.db2.gz YTKAAIHTKZMTBU-ZFWWWQNUSA-N 1 3 345.451 0.444 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C)N1CCN(C)CC1 ZINC000333921652 297155587 /nfs/dbraw/zinc/15/55/87/297155587.db2.gz QVBJYCQOLHFZOK-OAGGEKHMSA-N 1 3 325.501 0.650 20 0 ECADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000333929865 297155842 /nfs/dbraw/zinc/15/58/42/297155842.db2.gz YQAJGOHUKVYWRD-MRXNPFEDSA-N 1 3 330.432 0.645 20 0 ECADHO COc1coc(C(=O)N(CCCN(C)C)CCC[NH+](C)C)cc1=O ZINC000336984817 297173415 /nfs/dbraw/zinc/17/34/15/297173415.db2.gz USRMNFKCUKMXIM-UHFFFAOYSA-N 1 3 339.436 0.994 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000338325970 297257594 /nfs/dbraw/zinc/25/75/94/297257594.db2.gz SHRUFEHMNLNJQL-JKSUJKDBSA-N 1 3 327.517 0.898 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C1CCCC1)CC2 ZINC000339308065 297334344 /nfs/dbraw/zinc/33/43/44/297334344.db2.gz SOIZDIYLWQAGIB-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C1CCCC1)CC2 ZINC000339308065 297334345 /nfs/dbraw/zinc/33/43/45/297334345.db2.gz SOIZDIYLWQAGIB-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339635713 297367137 /nfs/dbraw/zinc/36/71/37/297367137.db2.gz FHJYLKOLNRDGOL-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000339749355 297377859 /nfs/dbraw/zinc/37/78/59/297377859.db2.gz UMUXOOWTLVZURO-UHFFFAOYSA-N 1 3 334.464 0.645 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000339749355 297377862 /nfs/dbraw/zinc/37/78/62/297377862.db2.gz UMUXOOWTLVZURO-UHFFFAOYSA-N 1 3 334.464 0.645 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCCC2)CCN1C ZINC000339754643 297379578 /nfs/dbraw/zinc/37/95/78/297379578.db2.gz TVPHVEYLEKIKAQ-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)C(=O)NCCN(C)C ZINC000344922447 298085562 /nfs/dbraw/zinc/08/55/62/298085562.db2.gz CXGXGIRTOOXUPF-CQSZACIVSA-N 1 3 327.473 0.212 20 0 ECADHO C[C@H](CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[NH+]1CCCCC1 ZINC000345744038 298189169 /nfs/dbraw/zinc/18/91/69/298189169.db2.gz CFWDIUBDBFTRJC-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@@H]1C ZINC000346340433 298261437 /nfs/dbraw/zinc/26/14/37/298261437.db2.gz QMIQFALXFWKLQW-JYJNAYRXSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@@H]1C ZINC000346340433 298261439 /nfs/dbraw/zinc/26/14/39/298261439.db2.gz QMIQFALXFWKLQW-JYJNAYRXSA-N 1 3 338.496 0.728 20 0 ECADHO O=C(CCOC1C[NH2+]C1)NCc1ccccc1CN1CCC(O)CC1 ZINC000348993053 298642222 /nfs/dbraw/zinc/64/22/22/298642222.db2.gz QHUQJGHPQQOJMH-UHFFFAOYSA-N 1 3 347.459 0.638 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@H]2COC[C@H]2O)CC1 ZINC000361323746 300082737 /nfs/dbraw/zinc/08/27/37/300082737.db2.gz ITMPSNQEZMSXSF-LSDHHAIUSA-N 1 3 327.469 0.162 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000362867515 300229019 /nfs/dbraw/zinc/22/90/19/300229019.db2.gz JHGGMKATHIHLIA-AYBZRNKSSA-N 1 3 331.460 0.937 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000362867515 300229021 /nfs/dbraw/zinc/22/90/21/300229021.db2.gz JHGGMKATHIHLIA-AYBZRNKSSA-N 1 3 331.460 0.937 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000364557841 300368284 /nfs/dbraw/zinc/36/82/84/300368284.db2.gz HAPHCAFNHVQQJU-QFBILLFUSA-N 1 3 344.459 0.594 20 0 ECADHO C[C@H](O)COC(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368534209 300670938 /nfs/dbraw/zinc/67/09/38/300670938.db2.gz KTFKUFQJYBWOFX-INIZCTEOSA-N 1 3 341.496 0.650 20 0 ECADHO C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000074655447 436134001 /nfs/dbraw/zinc/13/40/01/436134001.db2.gz WRYQQWVDUNZIES-IRXDYDNUSA-N 1 3 339.528 0.853 20 0 ECADHO C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000074655447 436134006 /nfs/dbraw/zinc/13/40/06/436134006.db2.gz WRYQQWVDUNZIES-IRXDYDNUSA-N 1 3 339.528 0.853 20 0 ECADHO C[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)CN1CCCCC1 ZINC000375826128 301213995 /nfs/dbraw/zinc/21/39/95/301213995.db2.gz ULOWTKMCPNADIA-CQSZACIVSA-N 1 3 345.509 0.391 20 0 ECADHO CC[NH+](CC)CCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000457410853 301475003 /nfs/dbraw/zinc/47/50/03/301475003.db2.gz RMIXQMXTQCEGCJ-UHFFFAOYSA-N 1 3 341.500 0.620 20 0 ECADHO CC[NH+](CC)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000079027891 436287024 /nfs/dbraw/zinc/28/70/24/436287024.db2.gz JBTNFTFFBICIHG-INIZCTEOSA-N 1 3 327.517 0.899 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000517097595 301695115 /nfs/dbraw/zinc/69/51/15/301695115.db2.gz BZOFCTBNECKMMI-SFHVURJKSA-N 1 3 345.491 0.937 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000517540163 301706065 /nfs/dbraw/zinc/70/60/65/301706065.db2.gz BDRDKYHYHYWITN-KRWDZBQOSA-N 1 3 337.512 0.798 20 0 ECADHO CN1CCN([C@@H]2CCCCN(C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000091855231 436463457 /nfs/dbraw/zinc/46/34/57/436463457.db2.gz LBUBXFLKQAFFBL-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCN([C@@H]2CCCCN(C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000091855231 436463459 /nfs/dbraw/zinc/46/34/59/436463459.db2.gz LBUBXFLKQAFFBL-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000527498003 301863417 /nfs/dbraw/zinc/86/34/17/301863417.db2.gz CLKPGFYLRCISLV-ZDUSSCGKSA-N 1 3 338.418 0.822 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC[N@H+](C)C(C)C)N1CCN(C)CC1 ZINC000101978808 436550788 /nfs/dbraw/zinc/55/07/88/436550788.db2.gz FMXFLLJVFUQHGJ-MRXNPFEDSA-N 1 3 327.517 0.898 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)N1CCN(C)CC1 ZINC000101978808 436550789 /nfs/dbraw/zinc/55/07/89/436550789.db2.gz FMXFLLJVFUQHGJ-MRXNPFEDSA-N 1 3 327.517 0.898 20 0 ECADHO CC(C)N1CCN([C@H]2CC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000540549388 302177686 /nfs/dbraw/zinc/17/76/86/302177686.db2.gz MHDDUNVSDXYOLS-GBESFXJTSA-N 1 3 336.524 0.950 20 0 ECADHO CC(C)N1CCN([C@H]2CC[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000540549388 302177688 /nfs/dbraw/zinc/17/76/88/302177688.db2.gz MHDDUNVSDXYOLS-GBESFXJTSA-N 1 3 336.524 0.950 20 0 ECADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(CC[NH+](C)C)CC1 ZINC000067119456 436704302 /nfs/dbraw/zinc/70/43/02/436704302.db2.gz AZIMRCNUIRHJKG-GOEBONIOSA-N 1 3 338.496 0.763 20 0 ECADHO Cc1cccc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000556664788 302445334 /nfs/dbraw/zinc/44/53/34/302445334.db2.gz JXMKBHFNGXQBDH-UHFFFAOYSA-N 1 3 348.491 0.606 20 0 ECADHO C[C@@H]1CC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)C1 ZINC000558554878 302472998 /nfs/dbraw/zinc/47/29/98/302472998.db2.gz ZDCBNUPTDJDMTM-GJZGRUSLSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)[C@H]1CN(C)CCN1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000246191337 436775046 /nfs/dbraw/zinc/77/50/46/436775046.db2.gz MLJSDACBEKWIDJ-DLBZAZTESA-N 1 3 339.528 0.852 20 0 ECADHO C[C@@H](CNC(=O)CN(C)[C@@H]1CCSC1)C[NH+]1CCN(C)CC1 ZINC000155874431 436805356 /nfs/dbraw/zinc/80/53/56/436805356.db2.gz HUZVXVXMEVOXOE-LSDHHAIUSA-N 1 3 328.526 0.423 20 0 ECADHO C[C@@H](CNC(=O)c1csc(CC[NH3+])n1)CN1CCN(C)CC1 ZINC000262421020 436932213 /nfs/dbraw/zinc/93/22/13/436932213.db2.gz UZKGVAJCFLWSGS-LBPRGKRZSA-N 1 3 325.482 0.258 20 0 ECADHO CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc21 ZINC000166620813 436940119 /nfs/dbraw/zinc/94/01/19/436940119.db2.gz AGVLHKXIBQWZJV-INIZCTEOSA-N 1 3 336.367 0.796 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263279440 436961409 /nfs/dbraw/zinc/96/14/09/436961409.db2.gz TZKUJTMOIULDLL-QAPCUYQASA-N 1 3 338.496 0.953 20 0 ECADHO CCS(=O)(=O)NCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298260330 437034756 /nfs/dbraw/zinc/03/47/56/437034756.db2.gz FLBXCBJLMXGGJH-UHFFFAOYSA-N 1 3 326.466 0.969 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C1CCCC1 ZINC000420078386 303415382 /nfs/dbraw/zinc/41/53/82/303415382.db2.gz ZJUAAGSGYPTTAU-HOTGVXAUSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000331569109 437122447 /nfs/dbraw/zinc/12/24/47/437122447.db2.gz VBERDIKOECXWNS-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000331569109 437122451 /nfs/dbraw/zinc/12/24/51/437122451.db2.gz VBERDIKOECXWNS-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO N[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000419928311 303480324 /nfs/dbraw/zinc/48/03/24/303480324.db2.gz KWRFGFCHQKGTFM-IAGOWNOFSA-N 1 3 344.459 0.889 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000177849038 437200813 /nfs/dbraw/zinc/20/08/13/437200813.db2.gz VBSMOKDFAKBGPL-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000177849038 437200816 /nfs/dbraw/zinc/20/08/16/437200816.db2.gz VBSMOKDFAKBGPL-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000332344533 437214244 /nfs/dbraw/zinc/21/42/44/437214244.db2.gz STDMQYAFNBCQKL-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333394171 437269777 /nfs/dbraw/zinc/26/97/77/437269777.db2.gz XXAWMAZNBCHIJY-UKRRQHHQSA-N 1 3 345.451 0.587 20 0 ECADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333394171 437269781 /nfs/dbraw/zinc/26/97/81/437269781.db2.gz XXAWMAZNBCHIJY-UKRRQHHQSA-N 1 3 345.451 0.587 20 0 ECADHO C[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](C)CN1 ZINC000333629388 437279021 /nfs/dbraw/zinc/27/90/21/437279021.db2.gz GIASPGCPIQUZOD-UTUOFQBUSA-N 1 3 337.390 0.214 20 0 ECADHO C[C@@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@H](C)N1C ZINC000333716739 437283754 /nfs/dbraw/zinc/28/37/54/437283754.db2.gz TYJWFYKZXFSFQS-RYTJFDOTSA-N 1 3 337.512 0.937 20 0 ECADHO C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H](C)N1C ZINC000333716739 437283758 /nfs/dbraw/zinc/28/37/58/437283758.db2.gz TYJWFYKZXFSFQS-RYTJFDOTSA-N 1 3 337.512 0.937 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000339967306 437530719 /nfs/dbraw/zinc/53/07/19/437530719.db2.gz XJAJVKYBZFWQRK-QGZVFWFLSA-N 1 3 348.491 0.816 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000339668188 437488465 /nfs/dbraw/zinc/48/84/65/437488465.db2.gz DYPLEKMZLVLJEB-GDBMZVCRSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000339668188 437488470 /nfs/dbraw/zinc/48/84/70/437488470.db2.gz DYPLEKMZLVLJEB-GDBMZVCRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278733 437572402 /nfs/dbraw/zinc/57/24/02/437572402.db2.gz LAELYCNAYVUPNV-GASCZTMLSA-N 1 3 342.484 0.060 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000340320975 437626830 /nfs/dbraw/zinc/62/68/30/437626830.db2.gz DGLWKCWKEJLTEC-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CN(C)CCN2C)[C@H](C)C1 ZINC000361342929 437661058 /nfs/dbraw/zinc/66/10/58/437661058.db2.gz YUWZHUPDIKOPEL-KURKYZTESA-N 1 3 326.529 0.959 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CN(C)CCN2C)[C@H](C)C1 ZINC000361342929 437661061 /nfs/dbraw/zinc/66/10/61/437661061.db2.gz YUWZHUPDIKOPEL-KURKYZTESA-N 1 3 326.529 0.959 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CN(C)CCN2C)[C@H](C)C1 ZINC000361342929 437661066 /nfs/dbraw/zinc/66/10/66/437661066.db2.gz YUWZHUPDIKOPEL-KURKYZTESA-N 1 3 326.529 0.959 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)N(C)C1CC1 ZINC000340493494 437668898 /nfs/dbraw/zinc/66/88/98/437668898.db2.gz UPNZSIKCRQLJNE-ZDUSSCGKSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)CCn1nc2ccccn2c1=O ZINC000344041505 437722794 /nfs/dbraw/zinc/72/27/94/437722794.db2.gz VYVPZWYGHSMJBI-UHFFFAOYSA-N 1 3 334.468 0.311 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)CCn1nc2ccccn2c1=O ZINC000344041505 437722799 /nfs/dbraw/zinc/72/27/99/437722799.db2.gz VYVPZWYGHSMJBI-UHFFFAOYSA-N 1 3 334.468 0.311 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1CCN(C2CC2)CC1)C[NH+]1CCCC1 ZINC000340791486 437735253 /nfs/dbraw/zinc/73/52/53/437735253.db2.gz IEVNPZODEUHWBX-CQSZACIVSA-N 1 3 336.480 0.578 20 0 ECADHO CCC[N@H+](CCCS(=O)(=O)NC)CCN1CCN(CC)CC1 ZINC000344150898 437740516 /nfs/dbraw/zinc/74/05/16/437740516.db2.gz FXOGIYZCAFLVPC-UHFFFAOYSA-N 1 3 334.530 0.275 20 0 ECADHO CCC[N@@H+](CCCS(=O)(=O)NC)CCN1CCN(CC)CC1 ZINC000344150898 437740519 /nfs/dbraw/zinc/74/05/19/437740519.db2.gz FXOGIYZCAFLVPC-UHFFFAOYSA-N 1 3 334.530 0.275 20 0 ECADHO [NH3+]CCCNC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415289362 437775918 /nfs/dbraw/zinc/77/59/18/437775918.db2.gz CEKBHEBGUXVSJN-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000415314634 437780664 /nfs/dbraw/zinc/78/06/64/437780664.db2.gz XYGSYBUMGVAYGK-UHFFFAOYSA-N 1 3 348.447 0.763 20 0 ECADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423620633 437782679 /nfs/dbraw/zinc/78/26/79/437782679.db2.gz JWUBPICSMSQWIE-INIZCTEOSA-N 1 3 338.496 0.907 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)ccc1OCCN(C)C ZINC000415349039 437787923 /nfs/dbraw/zinc/78/79/23/437787923.db2.gz CJSDMYOHZRPILK-AWEZNQCLSA-N 1 3 348.447 0.681 20 0 ECADHO CCCN(C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423641529 437788346 /nfs/dbraw/zinc/78/83/46/437788346.db2.gz AVJYSNDKKKFYBM-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[C@@H]1CN ZINC000423718421 437812396 /nfs/dbraw/zinc/81/23/96/437812396.db2.gz BYXOAYHEGACNCA-BZUAXINKSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[C@@H]1CN ZINC000423718421 437812400 /nfs/dbraw/zinc/81/24/00/437812400.db2.gz BYXOAYHEGACNCA-BZUAXINKSA-N 1 3 338.496 0.905 20 0 ECADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000423984410 437870439 /nfs/dbraw/zinc/87/04/39/437870439.db2.gz BPMUYVMIEOKPCX-KRWDZBQOSA-N 1 3 332.448 0.303 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000371046524 437875421 /nfs/dbraw/zinc/87/54/21/437875421.db2.gz XIJXEXOEAPXJGI-INIZCTEOSA-N 1 3 326.485 0.938 20 0 ECADHO N[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000424013697 437879267 /nfs/dbraw/zinc/87/92/67/437879267.db2.gz RSKTWAURNOTTNP-XHSDSOJGSA-N 1 3 348.422 0.337 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccn[nH]2)[C@@H](C)C1 ZINC000356786202 437833946 /nfs/dbraw/zinc/83/39/46/437833946.db2.gz OBXURMBZCSGADC-LSDHHAIUSA-N 1 3 337.468 0.866 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCNC(=O)c2ccn[nH]2)[C@@H](C)C1 ZINC000356786202 437833950 /nfs/dbraw/zinc/83/39/50/437833950.db2.gz OBXURMBZCSGADC-LSDHHAIUSA-N 1 3 337.468 0.866 20 0 ECADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423839600 437839771 /nfs/dbraw/zinc/83/97/71/437839771.db2.gz JEQOZZNYKFXGGP-ZBFHGGJFSA-N 1 3 332.448 0.491 20 0 ECADHO COCCN1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424159032 437897550 /nfs/dbraw/zinc/89/75/50/437897550.db2.gz SCIZYDJDLGFHTJ-CQSZACIVSA-N 1 3 336.440 0.043 20 0 ECADHO NC1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000424189703 437902843 /nfs/dbraw/zinc/90/28/43/437902843.db2.gz DSPVNMPPSKMSTF-UHFFFAOYSA-N 1 3 346.475 0.604 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424518757 437963786 /nfs/dbraw/zinc/96/37/86/437963786.db2.gz IQYRGPPRQHKDGO-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000341998687 437937193 /nfs/dbraw/zinc/93/71/93/437937193.db2.gz PSZRMXLKLKPQIA-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000341998687 437937199 /nfs/dbraw/zinc/93/71/99/437937199.db2.gz PSZRMXLKLKPQIA-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000341998687 437937204 /nfs/dbraw/zinc/93/72/04/437937204.db2.gz PSZRMXLKLKPQIA-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC000417012956 438013975 /nfs/dbraw/zinc/01/39/75/438013975.db2.gz BFLDBPUGXOSZTF-QGZVFWFLSA-N 1 3 332.448 0.804 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000417060670 438019779 /nfs/dbraw/zinc/01/97/79/438019779.db2.gz DPKHMCPLDYBGFU-UHFFFAOYSA-N 1 3 333.480 0.843 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000357627638 438029750 /nfs/dbraw/zinc/02/97/50/438029750.db2.gz OUIRCQCYNMSNBY-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000417419229 438047971 /nfs/dbraw/zinc/04/79/71/438047971.db2.gz CRIFHOZOIQLOSN-LSDHHAIUSA-N 1 3 339.484 0.323 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[C@@H]1C ZINC000347997714 437995105 /nfs/dbraw/zinc/99/51/05/437995105.db2.gz FNNIRQNMFWGHMZ-QXSJWSMHSA-N 1 3 338.496 0.917 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[C@@H]1C ZINC000347997714 437995110 /nfs/dbraw/zinc/99/51/10/437995110.db2.gz FNNIRQNMFWGHMZ-QXSJWSMHSA-N 1 3 338.496 0.917 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000348015285 437998385 /nfs/dbraw/zinc/99/83/85/437998385.db2.gz NMFYNXDITDIDCZ-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO COCC[NH2+]CCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000417548982 438058240 /nfs/dbraw/zinc/05/82/40/438058240.db2.gz RUVCJRQSYGCRGM-UHFFFAOYSA-N 1 3 330.473 0.411 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417583630 438060987 /nfs/dbraw/zinc/06/09/87/438060987.db2.gz KXVAHFVZHHCIQD-LSDHHAIUSA-N 1 3 339.484 0.357 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000417743483 438072698 /nfs/dbraw/zinc/07/26/98/438072698.db2.gz CCGLZVHNTIQQID-JKSUJKDBSA-N 1 3 325.501 0.701 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000417758539 438075967 /nfs/dbraw/zinc/07/59/67/438075967.db2.gz VHFXGKDPSXZJBH-BZUAXINKSA-N 1 3 325.501 0.639 20 0 ECADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000372354779 438076001 /nfs/dbraw/zinc/07/60/01/438076001.db2.gz FPZHIDTVSLGNTM-GOSISDBHSA-N 1 3 330.476 0.967 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418097575 438108789 /nfs/dbraw/zinc/10/87/89/438108789.db2.gz KISMYPOOACJGGF-HNNXBMFYSA-N 1 3 325.501 0.701 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)CCOC3C[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000349007024 438125498 /nfs/dbraw/zinc/12/54/98/438125498.db2.gz UXFONKTVTSQAGZ-HUUCEWRRSA-N 1 3 339.480 0.713 20 0 ECADHO CC[NH2+]CCNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418329576 438131893 /nfs/dbraw/zinc/13/18/93/438131893.db2.gz UPLWEDZDXSUAEU-GOSISDBHSA-N 1 3 334.464 0.874 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418595149 438163874 /nfs/dbraw/zinc/16/38/74/438163874.db2.gz WWGUWTLIVIBFEZ-CABCVRRESA-N 1 3 339.484 0.548 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418624135 438168525 /nfs/dbraw/zinc/16/85/25/438168525.db2.gz OUNRGDYAUFJNNZ-GOEBONIOSA-N 1 3 325.501 0.829 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000418853791 438219313 /nfs/dbraw/zinc/21/93/13/438219313.db2.gz AOGVVXQUSUAVGX-KBPBESRZSA-N 1 3 326.485 0.714 20 0 ECADHO CN1CC[C@](O)(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000358432333 438224751 /nfs/dbraw/zinc/22/47/51/438224751.db2.gz GQARPAQRVKXFBP-KRWDZBQOSA-N 1 3 336.436 0.815 20 0 ECADHO COC(=O)CNC(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374777678 438228501 /nfs/dbraw/zinc/22/85/01/438228501.db2.gz HZGOXJBGBRFKJP-AWEZNQCLSA-N 1 3 348.447 0.908 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000418872493 438230685 /nfs/dbraw/zinc/23/06/85/438230685.db2.gz RWKGRNCLZIXWDI-OAHLLOKOSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000418830575 438204689 /nfs/dbraw/zinc/20/46/89/438204689.db2.gz IGRRZSIXCSNIHK-INIZCTEOSA-N 1 3 338.496 0.999 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418832645 438205430 /nfs/dbraw/zinc/20/54/30/438205430.db2.gz ZNDVXNKNIRPXLG-LJQANCHMSA-N 1 3 346.475 0.883 20 0 ECADHO O[C@H]1c2ccccc2C[C@H]1N1CCN(CCN2CCCOCC2)CC1 ZINC000367459827 438210361 /nfs/dbraw/zinc/21/03/61/438210361.db2.gz WMVNKGROKXZOCJ-UXHICEINSA-N 1 3 345.487 0.985 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419028921 438296129 /nfs/dbraw/zinc/29/61/29/438296129.db2.gz RAXCXSREMKNANN-NPJQDHAYSA-N 1 3 338.496 0.855 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000418973865 438269268 /nfs/dbraw/zinc/26/92/68/438269268.db2.gz AXEAPLROIVQPOE-GDBMZVCRSA-N 1 3 338.496 0.858 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000418973865 438269270 /nfs/dbraw/zinc/26/92/70/438269270.db2.gz AXEAPLROIVQPOE-GDBMZVCRSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418985417 438273755 /nfs/dbraw/zinc/27/37/55/438273755.db2.gz MWZSEGVPUBJRNG-CJNGLKHVSA-N 1 3 332.448 0.479 20 0 ECADHO CN(CCCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418992016 438274689 /nfs/dbraw/zinc/27/46/89/438274689.db2.gz FNSGVRDXBOGFJM-CALCHBBNSA-N 1 3 344.459 0.303 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000351524491 438278492 /nfs/dbraw/zinc/27/84/92/438278492.db2.gz QWHSIPPLOSDHSV-DLBZAZTESA-N 1 3 344.459 0.635 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419029296 438296414 /nfs/dbraw/zinc/29/64/14/438296414.db2.gz RMNNCPXTKYIDKD-ZIAGYGMSSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419003607 438282092 /nfs/dbraw/zinc/28/20/92/438282092.db2.gz DGAXQSXFUFJJNL-AWEZNQCLSA-N 1 3 332.448 0.752 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000351539379 438283275 /nfs/dbraw/zinc/28/32/75/438283275.db2.gz MSSLYZFCXRBCPA-HZPDHXFCSA-N 1 3 332.448 0.582 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)N(C)C)cc1 ZINC000358708798 438287454 /nfs/dbraw/zinc/28/74/54/438287454.db2.gz RDONHWBRAJZZQA-SJLPKXTDSA-N 1 3 334.464 0.964 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)N(C)C)cc1 ZINC000358708798 438287456 /nfs/dbraw/zinc/28/74/56/438287456.db2.gz RDONHWBRAJZZQA-SJLPKXTDSA-N 1 3 334.464 0.964 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419023188 438293955 /nfs/dbraw/zinc/29/39/55/438293955.db2.gz JGKUVODHEVFYBO-QLFBSQMISA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419024917 438294380 /nfs/dbraw/zinc/29/43/80/438294380.db2.gz LGXMPAUYIUFSAL-QXSJWSMHSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H]1C[N@H+](CCCNC(=O)NCC2(O)CCN(C)CC2)CCCO1 ZINC000433454876 438251203 /nfs/dbraw/zinc/25/12/03/438251203.db2.gz HCRJJGIAERIVOZ-HNNXBMFYSA-N 1 3 342.484 0.243 20 0 ECADHO C[C@H]1C[N@@H+](CCCNC(=O)NCC2(O)CCN(C)CC2)CCCO1 ZINC000433454876 438251205 /nfs/dbraw/zinc/25/12/05/438251205.db2.gz HCRJJGIAERIVOZ-HNNXBMFYSA-N 1 3 342.484 0.243 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419132261 438338022 /nfs/dbraw/zinc/33/80/22/438338022.db2.gz DTUNECKXBYWSEQ-QWHCGFSZSA-N 1 3 338.477 0.540 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000419034085 438299354 /nfs/dbraw/zinc/29/93/54/438299354.db2.gz ZEZMEVURKTXZJI-QRJUGERDSA-N 1 3 338.496 0.726 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000419045436 438302189 /nfs/dbraw/zinc/30/21/89/438302189.db2.gz NYEFKVLGBVNGJF-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)NCC[NH+](C)C)cccc21 ZINC000434597338 438306240 /nfs/dbraw/zinc/30/62/40/438306240.db2.gz PYUHLWTUTKZGJZ-CQSZACIVSA-N 1 3 334.420 0.688 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000419078423 438314265 /nfs/dbraw/zinc/31/42/65/438314265.db2.gz LADQYDRUVDZYDU-GDBMZVCRSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000419145879 438346938 /nfs/dbraw/zinc/34/69/38/438346938.db2.gz ASXCNCUCWGVEFL-GJZGRUSLSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000419145879 438346943 /nfs/dbraw/zinc/34/69/43/438346943.db2.gz ASXCNCUCWGVEFL-GJZGRUSLSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419143128 438347285 /nfs/dbraw/zinc/34/72/85/438347285.db2.gz YUOINFJAUOKVKV-ZIAGYGMSSA-N 1 3 328.501 0.959 20 0 ECADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419432171 438358112 /nfs/dbraw/zinc/35/81/12/438358112.db2.gz XWHMUYVDAQSIAW-IAGOWNOFSA-N 1 3 344.459 0.889 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCCN(C)[C@H](C)CC)CC1 ZINC000419522408 438362126 /nfs/dbraw/zinc/36/21/26/438362126.db2.gz MFABTHRGIJBGOD-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H](CN)C1 ZINC000419552116 438363521 /nfs/dbraw/zinc/36/35/21/438363521.db2.gz WUAJCZKSEYSGNM-BFHYXJOUSA-N 1 3 342.484 0.044 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419696813 438366345 /nfs/dbraw/zinc/36/63/45/438366345.db2.gz PFBBFVNFGWYGMN-QLFBSQMISA-N 1 3 334.464 0.187 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000419770875 438372296 /nfs/dbraw/zinc/37/22/96/438372296.db2.gz XEHZBGQPXCDXSG-RHSMWYFYSA-N 1 3 346.475 0.724 20 0 ECADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887057 438375036 /nfs/dbraw/zinc/37/50/36/438375036.db2.gz PZVGUPRWCFHJGZ-QGZVFWFLSA-N 1 3 346.475 0.835 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420042484 438384260 /nfs/dbraw/zinc/38/42/60/438384260.db2.gz QUKUTOKZDYEALG-OLZOCXBDSA-N 1 3 328.457 0.016 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000359393373 438427359 /nfs/dbraw/zinc/42/73/59/438427359.db2.gz RMXHTSDBFLWWSL-NVXWUHKLSA-N 1 3 335.496 0.645 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000359393373 438427361 /nfs/dbraw/zinc/42/73/61/438427361.db2.gz RMXHTSDBFLWWSL-NVXWUHKLSA-N 1 3 335.496 0.645 20 0 ECADHO CCOC(=O)c1ccc(N2CCCN(CCOCC[NH3+])CC2)nc1 ZINC000420359844 438401536 /nfs/dbraw/zinc/40/15/36/438401536.db2.gz KXXVRYJWZZILEY-UHFFFAOYSA-N 1 3 336.436 0.746 20 0 ECADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000383504740 438415992 /nfs/dbraw/zinc/41/59/92/438415992.db2.gz ZTRFBIMEDIAXFU-MOPGFXCFSA-N 1 3 333.476 0.791 20 0 ECADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000383504740 438415997 /nfs/dbraw/zinc/41/59/97/438415997.db2.gz ZTRFBIMEDIAXFU-MOPGFXCFSA-N 1 3 333.476 0.791 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000369394390 438465145 /nfs/dbraw/zinc/46/51/45/438465145.db2.gz ROTFQMUSTNLXGS-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CC(C)(C)n1cc(CNCCCC[NH+]2CCN(CCO)CC2)nn1 ZINC000359713335 438482976 /nfs/dbraw/zinc/48/29/76/438482976.db2.gz IGUHRYLEASFZGN-UHFFFAOYSA-N 1 3 338.500 0.513 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000422112049 438521703 /nfs/dbraw/zinc/52/17/03/438521703.db2.gz YUZUMNSCSOWMHG-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CCC1 ZINC000422458701 438574145 /nfs/dbraw/zinc/57/41/45/438574145.db2.gz WGCLNUCRWKJVFN-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CCC1 ZINC000422458701 438574147 /nfs/dbraw/zinc/57/41/47/438574147.db2.gz WGCLNUCRWKJVFN-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000422495641 438580382 /nfs/dbraw/zinc/58/03/82/438580382.db2.gz SOESBJDNUVXJKZ-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000422495641 438580383 /nfs/dbraw/zinc/58/03/83/438580383.db2.gz SOESBJDNUVXJKZ-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410432187 438584889 /nfs/dbraw/zinc/58/48/89/438584889.db2.gz JJKBBZYUWGWHMO-INIZCTEOSA-N 1 3 336.480 0.485 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442630884 438612033 /nfs/dbraw/zinc/61/20/33/438612033.db2.gz YGPSQLXWZXIBLK-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442630884 438612038 /nfs/dbraw/zinc/61/20/38/438612038.db2.gz YGPSQLXWZXIBLK-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423298583 438656945 /nfs/dbraw/zinc/65/69/45/438656945.db2.gz OQFNSSVPEFXULW-ZIAGYGMSSA-N 1 3 341.477 0.953 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@@H]1C ZINC000410723615 438641844 /nfs/dbraw/zinc/64/18/44/438641844.db2.gz GVJSXADNSAKUKS-GOEBONIOSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@@H]1C ZINC000410723615 438641848 /nfs/dbraw/zinc/64/18/48/438641848.db2.gz GVJSXADNSAKUKS-GOEBONIOSA-N 1 3 338.496 0.870 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423148953 438642566 /nfs/dbraw/zinc/64/25/66/438642566.db2.gz GXOCRYMIQRZYDM-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423212010 438649164 /nfs/dbraw/zinc/64/91/64/438649164.db2.gz LKZOWZVRMQCJGE-HOTGVXAUSA-N 1 3 336.480 0.389 20 0 ECADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422851819 438610693 /nfs/dbraw/zinc/61/06/93/438610693.db2.gz XJGPSQIVPOEXHP-HOTGVXAUSA-N 1 3 331.464 0.837 20 0 ECADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422851819 438610697 /nfs/dbraw/zinc/61/06/97/438610697.db2.gz XJGPSQIVPOEXHP-HOTGVXAUSA-N 1 3 331.464 0.837 20 0 ECADHO C[C@H](C[C@H]1COCCN1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000422841995 438611489 /nfs/dbraw/zinc/61/14/89/438611489.db2.gz DXBXVGCCZHHWGR-MSOLQXFVSA-N 1 3 347.507 0.950 20 0 ECADHO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000423374616 438667922 /nfs/dbraw/zinc/66/79/22/438667922.db2.gz CMCJTIBWQDJXGW-WMLDXEAASA-N 1 3 346.475 0.982 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423392181 438671626 /nfs/dbraw/zinc/67/16/26/438671626.db2.gz LHXREKJCSOBXHC-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423432444 438676513 /nfs/dbraw/zinc/67/65/13/438676513.db2.gz OJXCCTUXISBZLI-DLBZAZTESA-N 1 3 346.475 0.740 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414837372 438717539 /nfs/dbraw/zinc/71/75/39/438717539.db2.gz HASJMFKKYHAHFW-AWEZNQCLSA-N 1 3 334.420 0.563 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414837997 438718197 /nfs/dbraw/zinc/71/81/97/438718197.db2.gz HYBZEUOQYRXGNH-OAHLLOKOSA-N 1 3 346.431 0.708 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414837997 438718200 /nfs/dbraw/zinc/71/82/00/438718200.db2.gz HYBZEUOQYRXGNH-OAHLLOKOSA-N 1 3 346.431 0.708 20 0 ECADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(CCOC)CCN(C)C)c1 ZINC000414818352 438718275 /nfs/dbraw/zinc/71/82/75/438718275.db2.gz VJVGQOGBWVCQCE-UHFFFAOYSA-N 1 3 336.436 0.381 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000454576012 438721643 /nfs/dbraw/zinc/72/16/43/438721643.db2.gz IJNPHDYNIZJUOO-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000454576012 438721646 /nfs/dbraw/zinc/72/16/46/438721646.db2.gz IJNPHDYNIZJUOO-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H](CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[NH+](C)C ZINC000454669201 438724295 /nfs/dbraw/zinc/72/42/95/438724295.db2.gz YIBLIHLPYWWJJI-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC(=O)NC1 ZINC000455259269 438741865 /nfs/dbraw/zinc/74/18/65/438741865.db2.gz AIBRQVZQQDFOFQ-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC(=O)NC1 ZINC000455259269 438741869 /nfs/dbraw/zinc/74/18/69/438741869.db2.gz AIBRQVZQQDFOFQ-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCOC[C@@H](O)CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000575248872 438743152 /nfs/dbraw/zinc/74/31/52/438743152.db2.gz WQHJVSGHGWFUAV-MSOLQXFVSA-N 1 3 349.475 0.871 20 0 ECADHO CCOC[C@@H](O)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000575248872 438743155 /nfs/dbraw/zinc/74/31/55/438743155.db2.gz WQHJVSGHGWFUAV-MSOLQXFVSA-N 1 3 349.475 0.871 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000576958493 438806767 /nfs/dbraw/zinc/80/67/67/438806767.db2.gz LHOVQMVTFDGXPX-KBUPBQIOSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000576958493 438806770 /nfs/dbraw/zinc/80/67/70/438806770.db2.gz LHOVQMVTFDGXPX-KBUPBQIOSA-N 1 3 337.468 0.060 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000576036559 438766263 /nfs/dbraw/zinc/76/62/63/438766263.db2.gz XDHQGRHGTKEUDI-GOSISDBHSA-N 1 3 330.476 0.969 20 0 ECADHO C[C@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000576514793 438786676 /nfs/dbraw/zinc/78/66/76/438786676.db2.gz BBCAMYJVCBLZCD-XLIONFOSSA-N 1 3 344.503 0.917 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)nn1 ZINC000514671769 438824900 /nfs/dbraw/zinc/82/49/00/438824900.db2.gz FCFJWAPQYJTYBI-JKSUJKDBSA-N 1 3 346.410 0.782 20 0 ECADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000595952974 438898435 /nfs/dbraw/zinc/89/84/35/438898435.db2.gz VSPGMURZMYJKNU-RBSFLKMASA-N 1 3 325.453 0.990 20 0 ECADHO CN1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)cn2)CC1 ZINC000515483365 438870067 /nfs/dbraw/zinc/87/00/67/438870067.db2.gz QBASKMXHGZHHOB-IEBWSBKVSA-N 1 3 345.491 0.690 20 0 ECADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000601424114 438888204 /nfs/dbraw/zinc/88/82/04/438888204.db2.gz YILSCUBSWMCQHA-JTQLQIEISA-N 1 3 346.371 0.694 20 0 ECADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000516664352 438920498 /nfs/dbraw/zinc/92/04/98/438920498.db2.gz FFJKSTOHQFTDHN-CVEARBPZSA-N 1 3 345.447 0.202 20 0 ECADHO C[C@@H](CNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)[NH+](C)C ZINC000459045351 438939717 /nfs/dbraw/zinc/93/97/17/438939717.db2.gz SRPCJBFHAXCCDD-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000578646833 438942358 /nfs/dbraw/zinc/94/23/58/438942358.db2.gz OCZYNGXEOYBCSQ-AWEZNQCLSA-N 1 3 325.453 0.767 20 0 ECADHO O=C1CNCCN1[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565309733 438942375 /nfs/dbraw/zinc/94/23/75/438942375.db2.gz NZSVLQANRVDHIS-GOSISDBHSA-N 1 3 328.460 0.729 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)CN2CCN(C)CC2)c1 ZINC000565416998 438948557 /nfs/dbraw/zinc/94/85/57/438948557.db2.gz KZSZSXLXGXIGOK-IBGZPJMESA-N 1 3 334.508 0.836 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)CN2CCN(C)CC2)c1 ZINC000565416998 438948560 /nfs/dbraw/zinc/94/85/60/438948560.db2.gz KZSZSXLXGXIGOK-IBGZPJMESA-N 1 3 334.508 0.836 20 0 ECADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000565491021 438955090 /nfs/dbraw/zinc/95/50/90/438955090.db2.gz LYNZCDXSMAMNID-HOTGVXAUSA-N 1 3 345.447 0.202 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1(C)C ZINC000565715901 438973301 /nfs/dbraw/zinc/97/33/01/438973301.db2.gz VLMBDXVSDYPJRK-HBUWYVDXSA-N 1 3 339.480 0.733 20 0 ECADHO O=C(NC[C@H]1C[NH2+]CCO1)N1CCCN(Cc2ccccc2)CC1 ZINC000566000102 438995377 /nfs/dbraw/zinc/99/53/77/438995377.db2.gz QSLYMVCKSUKXDA-QGZVFWFLSA-N 1 3 332.448 0.892 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000566066975 439001638 /nfs/dbraw/zinc/00/16/38/439001638.db2.gz YBOQSTAPIQJXPD-MELADBBJSA-N 1 3 325.457 0.060 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCN(C)C2)CC1=O ZINC000591642770 439044308 /nfs/dbraw/zinc/04/43/08/439044308.db2.gz JLEHKAWYISCURU-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCN(C)C2)CC1=O ZINC000591642770 439044311 /nfs/dbraw/zinc/04/43/11/439044311.db2.gz JLEHKAWYISCURU-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NC[C@H]1CNCCO1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000580054512 439057619 /nfs/dbraw/zinc/05/76/19/439057619.db2.gz ISCAFVWYOXJKBO-FGTMMUONSA-N 1 3 344.459 0.748 20 0 ECADHO O=C(NC[C@H]1CNCCO1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000580054512 439057624 /nfs/dbraw/zinc/05/76/24/439057624.db2.gz ISCAFVWYOXJKBO-FGTMMUONSA-N 1 3 344.459 0.748 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000566237468 439029151 /nfs/dbraw/zinc/02/91/51/439029151.db2.gz PLWPPGIPQAEILK-QGZVFWFLSA-N 1 3 346.475 0.919 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000566237468 439029153 /nfs/dbraw/zinc/02/91/53/439029153.db2.gz PLWPPGIPQAEILK-QGZVFWFLSA-N 1 3 346.475 0.919 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000519538252 439039020 /nfs/dbraw/zinc/03/90/20/439039020.db2.gz HFPCPSFCZMIQTR-JTDSTZFVSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000519538241 439039229 /nfs/dbraw/zinc/03/92/29/439039229.db2.gz HFPCPSFCZMIQTR-GPMSIDNRSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000479468290 439118367 /nfs/dbraw/zinc/11/83/67/439118367.db2.gz CVQDXBXGHPXJFR-ZBFHGGJFSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000479468286 439118593 /nfs/dbraw/zinc/11/85/93/439118593.db2.gz CVQDXBXGHPXJFR-GDBMZVCRSA-N 1 3 338.496 0.585 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000580170463 439069343 /nfs/dbraw/zinc/06/93/43/439069343.db2.gz QZKDVIGBDAKGGI-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000591736722 439077410 /nfs/dbraw/zinc/07/74/10/439077410.db2.gz KFJVBLCIOPMJSN-GDBMZVCRSA-N 1 3 327.469 0.449 20 0 ECADHO CN1CCC(Oc2ccc(C[NH2+]CCC(=O)NC(N)=O)cc2)CC1 ZINC000591766471 439083230 /nfs/dbraw/zinc/08/32/30/439083230.db2.gz OFBJKTQEILTWIT-UHFFFAOYSA-N 1 3 334.420 0.834 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000567149776 439119439 /nfs/dbraw/zinc/11/94/39/439119439.db2.gz NZJDSORKYADNQO-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000567385907 439138551 /nfs/dbraw/zinc/13/85/51/439138551.db2.gz WDQDJVKSOBTWLM-IRXDYDNUSA-N 1 3 336.432 0.675 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567501183 439147786 /nfs/dbraw/zinc/14/77/86/439147786.db2.gz GHPBOZUZSLHKPB-QWRGUYRKSA-N 1 3 331.486 0.466 20 0 ECADHO CCCN(C)CC(=O)N1CCCN(C(=O)C[N@H+](C)CCC)CC1 ZINC000487588408 439157038 /nfs/dbraw/zinc/15/70/38/439157038.db2.gz UXRJBTIWSRJFGZ-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO CCCN(C)CC(=O)N1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC000487588408 439157041 /nfs/dbraw/zinc/15/70/41/439157041.db2.gz UXRJBTIWSRJFGZ-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488648789 439195756 /nfs/dbraw/zinc/19/57/56/439195756.db2.gz LWJADSGMDJOIPJ-HRCADAONSA-N 1 3 326.485 0.936 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488648789 439195763 /nfs/dbraw/zinc/19/57/63/439195763.db2.gz LWJADSGMDJOIPJ-HRCADAONSA-N 1 3 326.485 0.936 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000525306516 439206767 /nfs/dbraw/zinc/20/67/67/439206767.db2.gz ISNNHJIJKAQEPC-IAGOWNOFSA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000525306516 439206772 /nfs/dbraw/zinc/20/67/72/439206772.db2.gz ISNNHJIJKAQEPC-IAGOWNOFSA-N 1 3 339.528 0.899 20 0 ECADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000581424311 439209042 /nfs/dbraw/zinc/20/90/42/439209042.db2.gz JCEKXYXUNSUWPY-CQSZACIVSA-N 1 3 333.436 0.587 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNCCC(=O)Nc2cccnc2)C1 ZINC000581424311 439209044 /nfs/dbraw/zinc/20/90/44/439209044.db2.gz JCEKXYXUNSUWPY-CQSZACIVSA-N 1 3 333.436 0.587 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNCCC(=O)Nc2cccnc2)C1 ZINC000581424311 439209048 /nfs/dbraw/zinc/20/90/48/439209048.db2.gz JCEKXYXUNSUWPY-CQSZACIVSA-N 1 3 333.436 0.587 20 0 ECADHO COC(=O)c1cncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000526183808 439242671 /nfs/dbraw/zinc/24/26/71/439242671.db2.gz BRDZDXNWBSFTAQ-UHFFFAOYSA-N 1 3 337.424 0.825 20 0 ECADHO COCCN1CCC(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592958588 439320554 /nfs/dbraw/zinc/32/05/54/439320554.db2.gz ZCRGODVHVNNQLD-CYBMUJFWSA-N 1 3 335.452 0.560 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000604166463 439299306 /nfs/dbraw/zinc/29/93/06/439299306.db2.gz XDDXSZFDUAAMJG-NVXWUHKLSA-N 1 3 337.512 0.794 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000604166463 439299310 /nfs/dbraw/zinc/29/93/10/439299310.db2.gz XDDXSZFDUAAMJG-NVXWUHKLSA-N 1 3 337.512 0.794 20 0 ECADHO CCN1CCN(CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000582663661 439362395 /nfs/dbraw/zinc/36/23/95/439362395.db2.gz YKOOYPLRESOWSR-QGZVFWFLSA-N 1 3 348.495 0.565 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000569817982 439366069 /nfs/dbraw/zinc/36/60/69/439366069.db2.gz AZKIZXYTOJDSQV-UHFFFAOYSA-N 1 3 336.480 0.661 20 0 ECADHO NC[C@@H]1c2ccccc2CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000582548359 439351152 /nfs/dbraw/zinc/35/11/52/439351152.db2.gz WRCRYLJLVUFEHS-HZPDHXFCSA-N 1 3 330.432 0.329 20 0 ECADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000569941898 439378703 /nfs/dbraw/zinc/37/87/03/439378703.db2.gz OETVQCICJUOSFK-DZGCQCFKSA-N 1 3 328.420 0.802 20 0 ECADHO CCOC(=O)C1CCC(O)(CNC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000582905591 439394995 /nfs/dbraw/zinc/39/49/95/439394995.db2.gz VJBJRCAXKNLUCX-UPTPFMHGSA-N 1 3 342.480 0.907 20 0 ECADHO COCCN(C)C[C@H](O)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000583032085 439410895 /nfs/dbraw/zinc/41/08/95/439410895.db2.gz JMVCAPDFZRBGKL-ROUUACIJSA-N 1 3 342.528 0.027 20 0 ECADHO COCCN(C)C[C@H](O)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000583032085 439410901 /nfs/dbraw/zinc/41/09/01/439410901.db2.gz JMVCAPDFZRBGKL-ROUUACIJSA-N 1 3 342.528 0.027 20 0 ECADHO CCO[C@H]1C[C@](N)(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1(C)C ZINC000583084171 439417376 /nfs/dbraw/zinc/41/73/76/439417376.db2.gz ZYWZQEDLIUDGCA-LLDVTBCESA-N 1 3 339.480 0.874 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3)C[C@H]2N)cn1 ZINC000583202872 439432386 /nfs/dbraw/zinc/43/23/86/439432386.db2.gz VKGNVTACBAIYLX-JKSUJKDBSA-N 1 3 328.420 0.515 20 0 ECADHO CN1CCN(CC[NH2+]C[C@@H](O)COC2CCOCC2)CC1(C)C ZINC000570795011 439450424 /nfs/dbraw/zinc/45/04/24/439450424.db2.gz KRSLTMQDWXBLMJ-OAHLLOKOSA-N 1 3 329.485 0.159 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000583705094 439503415 /nfs/dbraw/zinc/50/34/15/439503415.db2.gz CZPQKCZYWAFIMA-ARFHVFGLSA-N 1 3 338.496 0.857 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736965 439459041 /nfs/dbraw/zinc/45/90/41/439459041.db2.gz PATXSJKHKGOXAX-FQUUOJAGSA-N 1 3 326.441 0.439 20 0 ECADHO CN(CC(C)(C)CN1CCOCC1)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000571879185 439539843 /nfs/dbraw/zinc/53/98/43/439539843.db2.gz IXWWRNCNEJZNIN-CQSZACIVSA-N 1 3 349.479 0.917 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)COC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000572002663 439550359 /nfs/dbraw/zinc/55/03/59/439550359.db2.gz BTDMFYJUHQRSQU-HUUCEWRRSA-N 1 3 327.469 0.761 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000584226113 439563124 /nfs/dbraw/zinc/56/31/24/439563124.db2.gz OWXRDTYOJGMURI-XHSDSOJGSA-N 1 3 334.464 0.284 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3cn[nH]c3)CC2)CC1 ZINC000571577423 439514600 /nfs/dbraw/zinc/51/46/00/439514600.db2.gz RXKCGYKUSGAHGT-UHFFFAOYSA-N 1 3 334.468 0.810 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000572380044 439578368 /nfs/dbraw/zinc/57/83/68/439578368.db2.gz XOBSYCSHPKHQHN-CABCVRRESA-N 1 3 337.468 0.062 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC000572476284 439585928 /nfs/dbraw/zinc/58/59/28/439585928.db2.gz OKTAJDXCSAVIAQ-ZACQAIPSSA-N 1 3 342.528 0.072 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCCO1 ZINC000572600865 439595012 /nfs/dbraw/zinc/59/50/12/439595012.db2.gz QGWRIIDXSJSDQE-DLBZAZTESA-N 1 3 332.448 0.870 20 0 ECADHO O=C1NCC[C@]12CCCN2CCCCC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000573217763 439635490 /nfs/dbraw/zinc/63/54/90/439635490.db2.gz PRHYJCRXDVPYQB-KDURUIRLSA-N 1 3 348.491 0.866 20 0 ECADHO O=C1NCC[C@]12CCCN2CCCCC[N@H+]1CCC[C@@]12CCNC2=O ZINC000573217763 439635494 /nfs/dbraw/zinc/63/54/94/439635494.db2.gz PRHYJCRXDVPYQB-KDURUIRLSA-N 1 3 348.491 0.866 20 0 ECADHO O=C1NCC[C@]12CCC[N@H+]2CCCCCN1CCC[C@@]12CCNC2=O ZINC000573217763 439635498 /nfs/dbraw/zinc/63/54/98/439635498.db2.gz PRHYJCRXDVPYQB-KDURUIRLSA-N 1 3 348.491 0.866 20 0 ECADHO O=C1NCC[C@]12CCC[N@@H+]2CCCCCN1CCC[C@@]12CCNC2=O ZINC000573217763 439635501 /nfs/dbraw/zinc/63/55/01/439635501.db2.gz PRHYJCRXDVPYQB-KDURUIRLSA-N 1 3 348.491 0.866 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000574385866 439701821 /nfs/dbraw/zinc/70/18/21/439701821.db2.gz GOZMSTKKRJVMFZ-JONQDZQNSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000612479529 439714900 /nfs/dbraw/zinc/71/49/00/439714900.db2.gz CZOLDNAVSGSANX-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C[NH+]1CCCC1 ZINC000574062225 439682000 /nfs/dbraw/zinc/68/20/00/439682000.db2.gz AJIUCOLILYFIEO-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO N[C@H]1C[C@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595275004 439688244 /nfs/dbraw/zinc/68/82/44/439688244.db2.gz DEXLSXJYMYMLKR-HOTGVXAUSA-N 1 3 349.479 0.062 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923447 439746254 /nfs/dbraw/zinc/74/62/54/439746254.db2.gz IIACTNZRBAMFTP-KBPBESRZSA-N 1 3 349.483 0.446 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612931579 439746406 /nfs/dbraw/zinc/74/64/06/439746406.db2.gz ZBNWIRPVSFNUAW-KGLIPLIRSA-N 1 3 349.483 0.316 20 0 ECADHO CCN(C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(CC)C1 ZINC000611955843 439738927 /nfs/dbraw/zinc/73/89/27/439738927.db2.gz LFFHSRPBLIHBAR-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCN(CC)C1 ZINC000611955843 439738928 /nfs/dbraw/zinc/73/89/28/439738928.db2.gz LFFHSRPBLIHBAR-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000612025125 439743473 /nfs/dbraw/zinc/74/34/73/439743473.db2.gz ABXVRWQAJGIFHS-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000612025125 439743475 /nfs/dbraw/zinc/74/34/75/439743475.db2.gz ABXVRWQAJGIFHS-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CN(C)C[C@H](CO)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000614853731 439789092 /nfs/dbraw/zinc/78/90/92/439789092.db2.gz HBMIIYOSJFQHRU-GOSISDBHSA-N 1 3 349.475 0.543 20 0 ECADHO O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000646575460 439826772 /nfs/dbraw/zinc/82/67/72/439826772.db2.gz IIZIOLOZYHJVRW-GOSISDBHSA-N 1 3 345.491 0.705 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662724148 439861688 /nfs/dbraw/zinc/86/16/88/439861688.db2.gz MMJSVQPIGYURLK-MRXNPFEDSA-N 1 3 346.475 0.982 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)C1 ZINC000662757192 439876464 /nfs/dbraw/zinc/87/64/64/439876464.db2.gz KVHXYACXLPUUAD-DZGCQCFKSA-N 1 3 348.413 0.767 20 0 ECADHO C[C@H](CC(=O)N(CCN(C)C)CC(=O)N(C)C)C1CC[NH2+]CC1 ZINC000662660341 439837838 /nfs/dbraw/zinc/83/78/38/439837838.db2.gz UNDMFRDWTCQYCE-CQSZACIVSA-N 1 3 326.485 0.491 20 0 ECADHO [NH3+][C@H]1CCc2ncc(NC(=O)c3cn[n-]c3[C@@H]3CC[NH2+]C3)cc2C1 ZINC000662764527 439881616 /nfs/dbraw/zinc/88/16/16/439881616.db2.gz QFNLTUFUPGRHFL-PWSUYJOCSA-N 1 3 326.404 0.950 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000652546152 439887687 /nfs/dbraw/zinc/88/76/87/439887687.db2.gz WABTXCKGFOFBPN-GOSISDBHSA-N 1 3 336.480 0.485 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000652546152 439887696 /nfs/dbraw/zinc/88/76/96/439887696.db2.gz WABTXCKGFOFBPN-GOSISDBHSA-N 1 3 336.480 0.485 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000636466016 439893029 /nfs/dbraw/zinc/89/30/29/439893029.db2.gz SMCIBEPJJPTCBC-INIZCTEOSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652633914 439897251 /nfs/dbraw/zinc/89/72/51/439897251.db2.gz HFDSPOCPCSVBHC-UHFFFAOYSA-N 1 3 332.448 0.974 20 0 ECADHO Cc1cnc2nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn2c1 ZINC000617503326 439898935 /nfs/dbraw/zinc/89/89/35/439898935.db2.gz FBCXFIDNANYXCV-ZDUSSCGKSA-N 1 3 333.440 0.435 20 0 ECADHO Cc1cnc2nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn2c1 ZINC000617503326 439898940 /nfs/dbraw/zinc/89/89/40/439898940.db2.gz FBCXFIDNANYXCV-ZDUSSCGKSA-N 1 3 333.440 0.435 20 0 ECADHO C[NH+](C)CC[C@H](N)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662857961 439914598 /nfs/dbraw/zinc/91/45/98/439914598.db2.gz DCWLCQZQIOBEMO-IRXDYDNUSA-N 1 3 334.464 0.148 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642329794 439973732 /nfs/dbraw/zinc/97/37/32/439973732.db2.gz SWSRDJAASQFWCM-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000642439694 439980960 /nfs/dbraw/zinc/98/09/60/439980960.db2.gz NLNMGOXRAOEJLC-BFHYXJOUSA-N 1 3 340.468 0.206 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642431178 439981043 /nfs/dbraw/zinc/98/10/43/439981043.db2.gz MMFWWXGSWRRARF-OAGGEKHMSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636658550 439981241 /nfs/dbraw/zinc/98/12/41/439981241.db2.gz RKOSFQNVMOXTQX-GOEBONIOSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636658550 439981248 /nfs/dbraw/zinc/98/12/48/439981248.db2.gz RKOSFQNVMOXTQX-GOEBONIOSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@H](CN)C1 ZINC000662985759 439982695 /nfs/dbraw/zinc/98/26/95/439982695.db2.gz ZXUDKDYLHBZMJM-OAGGEKHMSA-N 1 3 336.480 0.517 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1=CCSC1 ZINC000658536978 439983994 /nfs/dbraw/zinc/98/39/94/439983994.db2.gz REOPGLIMQIJCSV-UHFFFAOYSA-N 1 3 342.509 0.070 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000631924296 439984626 /nfs/dbraw/zinc/98/46/26/439984626.db2.gz RGBHJQBWAAAXBD-HNNXBMFYSA-N 1 3 344.525 0.723 20 0 ECADHO [NH3+]CC1(CCNC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CC1 ZINC000652710034 439936271 /nfs/dbraw/zinc/93/62/71/439936271.db2.gz GYHZHMBVCMXCAD-HNNXBMFYSA-N 1 3 336.480 0.709 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636570257 439936939 /nfs/dbraw/zinc/93/69/39/439936939.db2.gz INDZKPFNPJPJFM-PBHICJAKSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000636570257 439936945 /nfs/dbraw/zinc/93/69/45/439936945.db2.gz INDZKPFNPJPJFM-PBHICJAKSA-N 1 3 348.491 0.720 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000652719852 439941695 /nfs/dbraw/zinc/94/16/95/439941695.db2.gz OOTFIWXALUXKTG-SJORKVTESA-N 1 3 344.459 0.717 20 0 ECADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000662925319 439945667 /nfs/dbraw/zinc/94/56/67/439945667.db2.gz HHEPCDLZZPABAP-SWKXRBFHSA-N 1 3 334.464 0.413 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000636586619 439945936 /nfs/dbraw/zinc/94/59/36/439945936.db2.gz ZLQYZQLPNZUCDU-ULQDDVLXSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000636586619 439945939 /nfs/dbraw/zinc/94/59/39/439945939.db2.gz ZLQYZQLPNZUCDU-ULQDDVLXSA-N 1 3 348.491 0.863 20 0 ECADHO CN(C)CCN1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1=O ZINC000652734693 439955748 /nfs/dbraw/zinc/95/57/48/439955748.db2.gz SYICKPWFGSZRFY-UHFFFAOYSA-N 1 3 333.436 0.140 20 0 ECADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000642254019 439960723 /nfs/dbraw/zinc/96/07/23/439960723.db2.gz XSMSCELRYTYVSF-SJORKVTESA-N 1 3 344.459 0.493 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1=O ZINC000662943737 439961229 /nfs/dbraw/zinc/96/12/29/439961229.db2.gz BNBUBJYPRXCCAZ-LXTVHRRPSA-N 1 3 340.443 0.217 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1=O ZINC000662943737 439961233 /nfs/dbraw/zinc/96/12/33/439961233.db2.gz BNBUBJYPRXCCAZ-LXTVHRRPSA-N 1 3 340.443 0.217 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000642253848 439961999 /nfs/dbraw/zinc/96/19/99/439961999.db2.gz LHCUNHHXPDHLFS-DOTOQJQBSA-N 1 3 346.475 0.868 20 0 ECADHO CC(C)[NH2+]CCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013520 439990162 /nfs/dbraw/zinc/99/01/62/439990162.db2.gz CYUCYCJNLXFBDL-OAHLLOKOSA-N 1 3 348.495 0.913 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000631943809 440000233 /nfs/dbraw/zinc/00/02/33/440000233.db2.gz GGRCAAZZCCPRHW-MRXNPFEDSA-N 1 3 338.477 0.562 20 0 ECADHO COc1cnccc1N1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627149560 440020484 /nfs/dbraw/zinc/02/04/84/440020484.db2.gz IUBFTYIBXHHAAW-UHFFFAOYSA-N 1 3 349.435 0.430 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000627164579 440026994 /nfs/dbraw/zinc/02/69/94/440026994.db2.gz DWVACZWFEUNINI-ZNMIVQPWSA-N 1 3 341.500 0.519 20 0 ECADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013212 439988373 /nfs/dbraw/zinc/98/83/73/439988373.db2.gz BFJDFLCZZXIAEH-GJZGRUSLSA-N 1 3 348.495 0.899 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000642910872 440059737 /nfs/dbraw/zinc/05/97/37/440059737.db2.gz QBRPNPOYBZOYEA-INIZCTEOSA-N 1 3 346.475 0.617 20 0 ECADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642909456 440060535 /nfs/dbraw/zinc/06/05/35/440060535.db2.gz NNBDMCFPCMAEIY-OAHLLOKOSA-N 1 3 334.464 0.820 20 0 ECADHO O=C(NCCCN1CCc2ccccc2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110095 440068615 /nfs/dbraw/zinc/06/86/15/440068615.db2.gz XTUZBDLVILKVEG-HKUYNNGSSA-N 1 3 329.444 0.787 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000663438070 440073181 /nfs/dbraw/zinc/07/31/81/440073181.db2.gz DEQMLCPIDNSVRN-UHFFFAOYSA-N 1 3 341.500 0.522 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000632025584 440046702 /nfs/dbraw/zinc/04/67/02/440046702.db2.gz MFMNGBTVCMQRTJ-GVDBMIGSSA-N 1 3 349.479 0.768 20 0 ECADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642908864 440056584 /nfs/dbraw/zinc/05/65/84/440056584.db2.gz AJFXFJVQADXBFQ-GOEBONIOSA-N 1 3 347.463 0.358 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000647729277 440129933 /nfs/dbraw/zinc/12/99/33/440129933.db2.gz SXQBCSFJLCWTDX-KRWDZBQOSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000647729277 440129937 /nfs/dbraw/zinc/12/99/37/440129937.db2.gz SXQBCSFJLCWTDX-KRWDZBQOSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC000647729277 440129942 /nfs/dbraw/zinc/12/99/42/440129942.db2.gz SXQBCSFJLCWTDX-KRWDZBQOSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000647729277 440129947 /nfs/dbraw/zinc/12/99/47/440129947.db2.gz SXQBCSFJLCWTDX-KRWDZBQOSA-N 1 3 326.485 0.774 20 0 ECADHO CCN(C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)[C@H]1CCN(CC)C1 ZINC000658824204 440139470 /nfs/dbraw/zinc/13/94/70/440139470.db2.gz YSMCHVMFCMHRPH-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000663545038 440095524 /nfs/dbraw/zinc/09/55/24/440095524.db2.gz FNBSTEQGKPZBOG-UHFFFAOYSA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[NH2+]1 ZINC000627292183 440101249 /nfs/dbraw/zinc/10/12/49/440101249.db2.gz NZCIUHJRZGJGJY-DJIMGWMZSA-N 1 3 346.475 0.532 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[NH2+]1 ZINC000627292185 440102005 /nfs/dbraw/zinc/10/20/05/440102005.db2.gz NZCIUHJRZGJGJY-OIISXLGYSA-N 1 3 346.475 0.532 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000643518539 440194244 /nfs/dbraw/zinc/19/42/44/440194244.db2.gz VSBKKPOTQAGWFU-CQJMVSDSSA-N 1 3 334.464 0.267 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000643516678 440194658 /nfs/dbraw/zinc/19/46/58/440194658.db2.gz JELJCXMFVNVDJZ-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000637052206 440148373 /nfs/dbraw/zinc/14/83/73/440148373.db2.gz VYIMXIMSHUQGLA-NJAFHUGGSA-N 1 3 346.475 0.873 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC000637052206 440148375 /nfs/dbraw/zinc/14/83/75/440148375.db2.gz VYIMXIMSHUQGLA-NJAFHUGGSA-N 1 3 346.475 0.873 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000653396955 440154197 /nfs/dbraw/zinc/15/41/97/440154197.db2.gz JMBXHEDNHFKWDG-LSDHHAIUSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000653396955 440154202 /nfs/dbraw/zinc/15/42/02/440154202.db2.gz JMBXHEDNHFKWDG-LSDHHAIUSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)[C@@H]1C[NH3+] ZINC000643593330 440218069 /nfs/dbraw/zinc/21/80/69/440218069.db2.gz FBVGBGOHPULDOS-GDBMZVCRSA-N 1 3 345.447 0.316 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CN(c2ccncn2)C1 ZINC000637262671 440220989 /nfs/dbraw/zinc/22/09/89/440220989.db2.gz BKHLWYQMGKIVAF-AWEZNQCLSA-N 1 3 349.483 0.236 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CN(c2ccncn2)C1 ZINC000637262671 440220995 /nfs/dbraw/zinc/22/09/95/440220995.db2.gz BKHLWYQMGKIVAF-AWEZNQCLSA-N 1 3 349.483 0.236 20 0 ECADHO O=C(NCCN1CCCC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659081255 440235086 /nfs/dbraw/zinc/23/50/86/440235086.db2.gz VNIOQMGLCMJRQC-MRXNPFEDSA-N 1 3 346.431 0.498 20 0 ECADHO C[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659018834 440205691 /nfs/dbraw/zinc/20/56/91/440205691.db2.gz LBJOUXACVIHAOJ-UHFFFAOYSA-N 1 3 335.452 0.890 20 0 ECADHO [NH3+]CC[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(F)(F)F ZINC000659023693 440207825 /nfs/dbraw/zinc/20/78/25/440207825.db2.gz LZQAAADNLJMXRL-NEPJUHHUSA-N 1 3 338.374 0.819 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627445592 440207849 /nfs/dbraw/zinc/20/78/49/440207849.db2.gz RAUUSQZRHUPFNW-ILXRZTDVSA-N 1 3 334.464 0.472 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000643545270 440208069 /nfs/dbraw/zinc/20/80/69/440208069.db2.gz UGIUWBNPLMJXKP-XUWVNRHRSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000664189002 440253744 /nfs/dbraw/zinc/25/37/44/440253744.db2.gz VQNGVPWXWHHTRV-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000664189002 440253751 /nfs/dbraw/zinc/25/37/51/440253751.db2.gz VQNGVPWXWHHTRV-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO [NH3+]CCn1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)nn1 ZINC000659326272 440298702 /nfs/dbraw/zinc/29/87/02/440298702.db2.gz XNCZYDYXZBQWJA-DOTOQJQBSA-N 1 3 340.431 0.583 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654377297 440305013 /nfs/dbraw/zinc/30/50/13/440305013.db2.gz HENQTPPWPJIHDS-DLBZAZTESA-N 1 3 338.496 0.959 20 0 ECADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654393189 440307311 /nfs/dbraw/zinc/30/73/11/440307311.db2.gz ZWGKJJUXAKEHIY-OKZBNKHCSA-N 1 3 346.475 0.620 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000659359240 440307409 /nfs/dbraw/zinc/30/74/09/440307409.db2.gz XDKDZGFIGAWOKK-MRXNPFEDSA-N 1 3 334.464 0.945 20 0 ECADHO C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000659510019 440350337 /nfs/dbraw/zinc/35/03/37/440350337.db2.gz JHJIJFUKOOIIIP-KGLIPLIRSA-N 1 3 327.473 0.036 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000632723629 440356351 /nfs/dbraw/zinc/35/63/51/440356351.db2.gz DUJGAFBSHVBPBH-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000659611163 440373657 /nfs/dbraw/zinc/37/36/57/440373657.db2.gz PZVZUXKUAQOJAA-UKRRQHHQSA-N 1 3 335.456 0.568 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000659611163 440373662 /nfs/dbraw/zinc/37/36/62/440373662.db2.gz PZVZUXKUAQOJAA-UKRRQHHQSA-N 1 3 335.456 0.568 20 0 ECADHO [NH3+]C1(CNC(=O)NCC(=O)NCCN2CCCCCC2)CCCC1 ZINC000659577439 440367108 /nfs/dbraw/zinc/36/71/08/440367108.db2.gz LUORUYCFJVUFSC-UHFFFAOYSA-N 1 3 339.484 0.549 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)N1CCN(C)CC1 ZINC000659431980 440324024 /nfs/dbraw/zinc/32/40/24/440324024.db2.gz SPFMIBBPPOPORT-KFWWJZLASA-N 1 3 329.464 0.339 20 0 ECADHO C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000659435302 440324092 /nfs/dbraw/zinc/32/40/92/440324092.db2.gz XMCKGNZKSJRBGV-NEPJUHHUSA-N 1 3 336.440 0.561 20 0 ECADHO C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@H+]1CCC[C@@H](C)C1 ZINC000659435302 440324095 /nfs/dbraw/zinc/32/40/95/440324095.db2.gz XMCKGNZKSJRBGV-NEPJUHHUSA-N 1 3 336.440 0.561 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659448926 440328519 /nfs/dbraw/zinc/32/85/19/440328519.db2.gz NHUUPQYNEZQYIR-MRXNPFEDSA-N 1 3 326.485 0.986 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659448925 440328880 /nfs/dbraw/zinc/32/88/80/440328880.db2.gz NHUUPQYNEZQYIR-INIZCTEOSA-N 1 3 326.485 0.986 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000633037419 440415893 /nfs/dbraw/zinc/41/58/93/440415893.db2.gz PFBHEADPUOJCCZ-STQMWFEESA-N 1 3 334.420 0.514 20 0 ECADHO O=C(NCCN1CCCC1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638058607 440416617 /nfs/dbraw/zinc/41/66/17/440416617.db2.gz RUYLRWKMWGWVSY-JTQLQIEISA-N 1 3 328.367 0.576 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)[C@@]2(C[NH3+])CCCOC2)c1 ZINC000638064477 440423819 /nfs/dbraw/zinc/42/38/19/440423819.db2.gz ULPOVNCDWHKWHZ-GOSISDBHSA-N 1 3 335.448 0.999 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000659689740 440426483 /nfs/dbraw/zinc/42/64/83/440426483.db2.gz JHXKQOBYQFEEAI-OAHLLOKOSA-N 1 3 346.475 0.534 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000659646929 440390789 /nfs/dbraw/zinc/39/07/89/440390789.db2.gz KAYHKYYQSRDCQN-BHYGNILZSA-N 1 3 334.464 0.777 20 0 ECADHO C[C@@H](Cc1cnn(C)c1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665049172 440409268 /nfs/dbraw/zinc/40/92/68/440409268.db2.gz QFUHAFNHGGYZFD-GJZGRUSLSA-N 1 3 338.500 0.922 20 0 ECADHO C[C@@H](Cc1cnn(C)c1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665049172 440409271 /nfs/dbraw/zinc/40/92/71/440409271.db2.gz QFUHAFNHGGYZFD-GJZGRUSLSA-N 1 3 338.500 0.922 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])Cc1ccccc1 ZINC000659675812 440413273 /nfs/dbraw/zinc/41/32/73/440413273.db2.gz YECKMQYHTIGSHK-HNNXBMFYSA-N 1 3 334.464 0.471 20 0 ECADHO COCCOCCN(C)CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638145139 440464017 /nfs/dbraw/zinc/46/40/17/440464017.db2.gz JKKHFYYGFFPGKJ-XYPWUTKMSA-N 1 3 327.469 0.713 20 0 ECADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000659741772 440479286 /nfs/dbraw/zinc/47/92/86/440479286.db2.gz OJXCELJSEXDXEJ-CSLYMUCUSA-N 1 3 334.464 0.332 20 0 ECADHO C[N@H+](CCCNC(=O)C(=O)N1CC2CC1(CN)C2)C1CCCCC1 ZINC000659699614 440433781 /nfs/dbraw/zinc/43/37/81/440433781.db2.gz ZVFMBXRRTKUFLE-UHFFFAOYSA-N 1 3 336.480 0.707 20 0 ECADHO C[N@@H+](CCCNC(=O)C(=O)N1CC2CC1(CN)C2)C1CCCCC1 ZINC000659699614 440433791 /nfs/dbraw/zinc/43/37/91/440433791.db2.gz ZVFMBXRRTKUFLE-UHFFFAOYSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N(C)C1CC1 ZINC000638103015 440436155 /nfs/dbraw/zinc/43/61/55/440436155.db2.gz YMCRUQOJRJIWAQ-GXSJLCMTSA-N 1 3 342.394 0.963 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000633090864 440436697 /nfs/dbraw/zinc/43/66/97/440436697.db2.gz UFDKUIDGFUMSCO-IRXDYDNUSA-N 1 3 344.459 0.458 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)[C@H](C[NH3+])C1 ZINC000659702395 440436864 /nfs/dbraw/zinc/43/68/64/440436864.db2.gz RCUZPAOZUHMLHW-DVOMOZLQSA-N 1 3 342.509 0.126 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000659708339 440444551 /nfs/dbraw/zinc/44/45/51/440444551.db2.gz QHMXIQCSGNQGBK-KGLIPLIRSA-N 1 3 326.485 0.713 20 0 ECADHO O=C(CN1CC[NH2+]CC1)NCC1(N2CCSCC2)CCCCC1 ZINC000638116664 440446211 /nfs/dbraw/zinc/44/62/11/440446211.db2.gz LDXGSZKSCDRORM-UHFFFAOYSA-N 1 3 340.537 0.760 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000638121512 440449278 /nfs/dbraw/zinc/44/92/78/440449278.db2.gz JJPQFCAPTCLHSS-FUHWJXTLSA-N 1 3 331.460 0.969 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000659750946 440488481 /nfs/dbraw/zinc/48/84/81/440488481.db2.gz RGMCXDNTAGQJGL-CYBMUJFWSA-N 1 3 338.427 0.440 20 0 ECADHO CC[C@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)CC[C@H]1[NH3+] ZINC000649416807 440492798 /nfs/dbraw/zinc/49/27/98/440492798.db2.gz MJXRFFVVTMXQTK-JKSUJKDBSA-N 1 3 346.479 0.575 20 0 ECADHO COC[C@@]1(C(=O)N(C)CCCN2CCN(C)CC2)CCCC[NH2+]1 ZINC000638278558 440495066 /nfs/dbraw/zinc/49/50/66/440495066.db2.gz ITDUDOIFKKDKJE-QGZVFWFLSA-N 1 3 326.485 0.241 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638304406 440504096 /nfs/dbraw/zinc/50/40/96/440504096.db2.gz ORSLVVFDLNWKGE-LLVKDONJSA-N 1 3 342.394 0.916 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000665637556 440511642 /nfs/dbraw/zinc/51/16/42/440511642.db2.gz HDWTWSRSQCOADQ-AWEZNQCLSA-N 1 3 343.516 0.815 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000665637556 440511646 /nfs/dbraw/zinc/51/16/46/440511646.db2.gz HDWTWSRSQCOADQ-AWEZNQCLSA-N 1 3 343.516 0.815 20 0 ECADHO CO[C@@]1(CO)CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763423 440523120 /nfs/dbraw/zinc/52/31/20/440523120.db2.gz AFCGLNOKHZIQRX-RDJZCZTQSA-N 1 3 344.500 0.441 20 0 ECADHO CO[C@@]1(CO)CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763423 440523125 /nfs/dbraw/zinc/52/31/25/440523125.db2.gz AFCGLNOKHZIQRX-RDJZCZTQSA-N 1 3 344.500 0.441 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000665762364 440523248 /nfs/dbraw/zinc/52/32/48/440523248.db2.gz BQMXNDRLKUSZTB-UONOGXRCSA-N 1 3 327.473 0.165 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000665762364 440523252 /nfs/dbraw/zinc/52/32/52/440523252.db2.gz BQMXNDRLKUSZTB-UONOGXRCSA-N 1 3 327.473 0.165 20 0 ECADHO CC(C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763513 440524498 /nfs/dbraw/zinc/52/44/98/440524498.db2.gz DAERETCNBYHXHZ-KBPBESRZSA-N 1 3 329.489 0.471 20 0 ECADHO CC(C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763513 440524503 /nfs/dbraw/zinc/52/45/03/440524503.db2.gz DAERETCNBYHXHZ-KBPBESRZSA-N 1 3 329.489 0.471 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000665762009 440526747 /nfs/dbraw/zinc/52/67/47/440526747.db2.gz XJABJQLFWXIZNQ-RRFJBIMHSA-N 1 3 330.473 0.050 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000665762009 440526753 /nfs/dbraw/zinc/52/67/53/440526753.db2.gz XJABJQLFWXIZNQ-RRFJBIMHSA-N 1 3 330.473 0.050 20 0 ECADHO [NH3+]C[C@@]1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CCCOC1 ZINC000638405438 440529729 /nfs/dbraw/zinc/52/97/29/440529729.db2.gz CPCCOISSCOXIEW-MJGOQNOKSA-N 1 3 347.459 0.625 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)CC1 ZINC000649350273 440481611 /nfs/dbraw/zinc/48/16/11/440481611.db2.gz XSWRPWFMXYROEF-KURKYZTESA-N 1 3 328.460 0.801 20 0 ECADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC[C@@H]1C(F)(F)F ZINC000638565080 440569193 /nfs/dbraw/zinc/56/91/93/440569193.db2.gz YGCPMSJILOXOBM-NDBYEHHHSA-N 1 3 335.370 0.835 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000638728270 440608991 /nfs/dbraw/zinc/60/89/91/440608991.db2.gz LYMXVZBSZCUVJL-UHFFFAOYSA-N 1 3 325.453 0.468 20 0 ECADHO CS(=O)(=O)N1CCC[C@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655702958 440619220 /nfs/dbraw/zinc/61/92/20/440619220.db2.gz HHPLPJWFFRJLEP-JKSUJKDBSA-N 1 3 345.509 0.643 20 0 ECADHO NCc1ccc2c(c1)N(C(=O)C1C[C@@H]3C[NH2+]C[C@H](C1)C3=O)CCO2 ZINC000638804617 440629222 /nfs/dbraw/zinc/62/92/22/440629222.db2.gz DIQSZWGXLPCUST-AGUYFDCRSA-N 1 3 329.400 0.685 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1CCNCC1 ZINC000638848405 440631344 /nfs/dbraw/zinc/63/13/44/440631344.db2.gz AIRRWMVQZQYAIB-SJLPKXTDSA-N 1 3 330.476 0.776 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1CCNCC1 ZINC000638848405 440631347 /nfs/dbraw/zinc/63/13/47/440631347.db2.gz AIRRWMVQZQYAIB-SJLPKXTDSA-N 1 3 330.476 0.776 20 0 ECADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000666770591 440687124 /nfs/dbraw/zinc/68/71/24/440687124.db2.gz LQCAHMQQMVDOQI-INIZCTEOSA-N 1 3 330.432 0.945 20 0 ECADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638985612 440659711 /nfs/dbraw/zinc/65/97/11/440659711.db2.gz MBSLJXJPYCARGP-CQSZACIVSA-N 1 3 343.353 0.972 20 0 ECADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@H](CN)C(F)(F)F)cc1 ZINC000655958791 440661847 /nfs/dbraw/zinc/66/18/47/440661847.db2.gz PARKARCICMJLFZ-GFCCVEGCSA-N 1 3 346.353 0.735 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000655919200 440642576 /nfs/dbraw/zinc/64/25/76/440642576.db2.gz GOUKNUYTEMJKAH-LLVKDONJSA-N 1 3 325.379 0.201 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656028198 440696462 /nfs/dbraw/zinc/69/64/62/440696462.db2.gz ILLDXGDNTORCQR-XUWVNRHRSA-N 1 3 336.480 0.848 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(S(N)(=O)=O)s1 ZINC000639307253 440703734 /nfs/dbraw/zinc/70/37/34/440703734.db2.gz SBDBWBVYSGRDIG-LBPRGKRZSA-N 1 3 348.538 0.757 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650869235 440699532 /nfs/dbraw/zinc/69/95/32/440699532.db2.gz WWNQFBHKMITFRZ-UHFFFAOYSA-N 1 3 327.473 0.134 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650869235 440699537 /nfs/dbraw/zinc/69/95/37/440699537.db2.gz WWNQFBHKMITFRZ-UHFFFAOYSA-N 1 3 327.473 0.134 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCN2C)CC1=O ZINC000629455205 440708010 /nfs/dbraw/zinc/70/80/10/440708010.db2.gz AVGYVIHBTDVHAN-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCN2C)CC1=O ZINC000629455205 440708019 /nfs/dbraw/zinc/70/80/19/440708019.db2.gz AVGYVIHBTDVHAN-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656300296 440756204 /nfs/dbraw/zinc/75/62/04/440756204.db2.gz NVNKXHNHPPNPMX-QBPKDAKJSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656300296 440756206 /nfs/dbraw/zinc/75/62/06/440756206.db2.gz NVNKXHNHPPNPMX-QBPKDAKJSA-N 1 3 348.491 0.863 20 0 ECADHO CN1CCN(CCCNC(=O)COCC[NH3+])[C@H](c2ccccc2)C1 ZINC000645434892 440805626 /nfs/dbraw/zinc/80/56/26/440805626.db2.gz VQMQIJCQKPJKEG-KRWDZBQOSA-N 1 3 334.464 0.457 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCC[C@H](N3CCCC3)C1)C2 ZINC000629792420 440763288 /nfs/dbraw/zinc/76/32/88/440763288.db2.gz NTPMCJWCQRIFLB-ZYSHUDEJSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCN(c2ccncc2)CC1 ZINC000645221150 440765861 /nfs/dbraw/zinc/76/58/61/440765861.db2.gz GXEHKGFSYMVOGI-CYBMUJFWSA-N 1 3 326.404 0.844 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656325527 440770326 /nfs/dbraw/zinc/77/03/26/440770326.db2.gz UNAQYGJFKDLESV-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656325527 440770331 /nfs/dbraw/zinc/77/03/31/440770331.db2.gz UNAQYGJFKDLESV-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000645263638 440772923 /nfs/dbraw/zinc/77/29/23/440772923.db2.gz RXOGWOCEXCNSFP-UONOGXRCSA-N 1 3 325.457 0.090 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000645263638 440772929 /nfs/dbraw/zinc/77/29/29/440772929.db2.gz RXOGWOCEXCNSFP-UONOGXRCSA-N 1 3 325.457 0.090 20 0 ECADHO C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000645314422 440783659 /nfs/dbraw/zinc/78/36/59/440783659.db2.gz WVCFNDZOWBYIDA-KGLIPLIRSA-N 1 3 337.468 0.398 20 0 ECADHO C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000645314422 440783665 /nfs/dbraw/zinc/78/36/65/440783665.db2.gz WVCFNDZOWBYIDA-KGLIPLIRSA-N 1 3 337.468 0.398 20 0 ECADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757621 440785910 /nfs/dbraw/zinc/78/59/10/440785910.db2.gz JQBJPPQJLYZQMF-LSDHHAIUSA-N 1 3 336.480 0.517 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656359153 440789723 /nfs/dbraw/zinc/78/97/23/440789723.db2.gz OFDYAOMVVFHEFV-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656358560 440789979 /nfs/dbraw/zinc/78/99/79/440789979.db2.gz LGCKDJXJBQWDSY-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CNC(=O)c1cc[nH]c1CC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000635254784 440798700 /nfs/dbraw/zinc/79/87/00/440798700.db2.gz HOIHKDZPTXCAAL-STQMWFEESA-N 1 3 337.468 0.303 20 0 ECADHO C[C@@H](CNC(=O)Cc1[nH]ccc1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000635254784 440798705 /nfs/dbraw/zinc/79/87/05/440798705.db2.gz HOIHKDZPTXCAAL-STQMWFEESA-N 1 3 337.468 0.303 20 0 ECADHO C[C@@H]1CN(CCOCC[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@@H](C)C1O ZINC000661625106 440891942 /nfs/dbraw/zinc/89/19/42/440891942.db2.gz LHKLCPZDKVEVIR-JLOCXQCDSA-N 1 3 328.497 0.900 20 0 ECADHO C[C@@H]1CN(CCOCC[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@@H](C)C1O ZINC000661625106 440891948 /nfs/dbraw/zinc/89/19/48/440891948.db2.gz LHKLCPZDKVEVIR-JLOCXQCDSA-N 1 3 328.497 0.900 20 0 ECADHO C[C@@H]1C[NH+](CCOCCN2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@@H](C)C1O ZINC000661625106 440891953 /nfs/dbraw/zinc/89/19/53/440891953.db2.gz LHKLCPZDKVEVIR-JLOCXQCDSA-N 1 3 328.497 0.900 20 0 ECADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000651920008 440972020 /nfs/dbraw/zinc/97/20/20/440972020.db2.gz VDZYQWSNRAJKQL-OAHLLOKOSA-N 1 3 341.477 0.751 20 0 ECADHO CS(=O)(=O)NCC[C@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252005 440993491 /nfs/dbraw/zinc/99/34/91/440993491.db2.gz KZJSORRKPAVWGR-ZIAGYGMSSA-N 1 3 331.482 0.301 20 0 ECADHO Cn1cc(C(=O)NCC2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cn1 ZINC000662258741 440997594 /nfs/dbraw/zinc/99/75/94/440997594.db2.gz XFCYMIFWDBLOAR-INIZCTEOSA-N 1 3 347.463 0.383 20 0 ECADHO CCOc1ccnc(N2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662285555 441001878 /nfs/dbraw/zinc/00/18/78/441001878.db2.gz LJVNAGXXPNXBSA-OAHLLOKOSA-N 1 3 347.463 0.908 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NCc3cn(C[C@H]4CCOC4)nn3)C2)CC1 ZINC000631070309 441005428 /nfs/dbraw/zinc/00/54/28/441005428.db2.gz UCSPFLVOLMNXOS-HZPDHXFCSA-N 1 3 348.495 0.573 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NCc3cn(C[C@H]4CCOC4)nn3)C2)CC1 ZINC000631070309 441005435 /nfs/dbraw/zinc/00/54/35/441005435.db2.gz UCSPFLVOLMNXOS-HZPDHXFCSA-N 1 3 348.495 0.573 20 0 ECADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662299250 441007729 /nfs/dbraw/zinc/00/77/29/441007729.db2.gz WDLXGMWDSVRXCA-DAYGRLMNSA-N 1 3 331.416 0.074 20 0 ECADHO CNC[C@](C)(O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662299250 441007733 /nfs/dbraw/zinc/00/77/33/441007733.db2.gz WDLXGMWDSVRXCA-DAYGRLMNSA-N 1 3 331.416 0.074 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662403691 441030475 /nfs/dbraw/zinc/03/04/75/441030475.db2.gz HVTJTEUMEFNBNP-AWEZNQCLSA-N 1 3 330.432 0.259 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631279755 441040068 /nfs/dbraw/zinc/04/00/68/441040068.db2.gz GNXKIQFLBFDPEG-HNNXBMFYSA-N 1 3 336.484 0.201 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2CCO)c(F)c1 ZINC000652270072 441043799 /nfs/dbraw/zinc/04/37/99/441043799.db2.gz SXQPQQKDCKFVQC-HNNXBMFYSA-N 1 3 338.427 0.930 20 0 ECADHO C[C@@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)CN1CCN(C)CC1 ZINC000662480930 441053613 /nfs/dbraw/zinc/05/36/13/441053613.db2.gz ZYHINSVYQZQEIU-AWEZNQCLSA-N 1 3 349.479 0.755 20 0 ECADHO CN(C)S(=O)(=O)CCCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348676 441056775 /nfs/dbraw/zinc/05/67/75/441056775.db2.gz MVHHPQOJTMHMRA-ZNMIVQPWSA-N 1 3 333.498 0.486 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CC2([NH3+])CCC2)cc1 ZINC000646433273 441062853 /nfs/dbraw/zinc/06/28/53/441062853.db2.gz RBSOFPQQNYYVNH-UHFFFAOYSA-N 1 3 332.448 0.866 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(C)(C)CN1CCOCC1 ZINC000636162003 441090179 /nfs/dbraw/zinc/09/01/79/441090179.db2.gz UWCWHTLUSXROEM-INIZCTEOSA-N 1 3 342.528 0.733 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000340252019 321029291 /nfs/dbraw/zinc/02/92/91/321029291.db2.gz FAYDGPBTLUCPTF-GJZGRUSLSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000340252019 321029292 /nfs/dbraw/zinc/02/92/92/321029292.db2.gz FAYDGPBTLUCPTF-GJZGRUSLSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340262949 321031878 /nfs/dbraw/zinc/03/18/78/321031878.db2.gz ZIVIWMVPSLPYLF-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340262949 321031880 /nfs/dbraw/zinc/03/18/80/321031880.db2.gz ZIVIWMVPSLPYLF-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CN(C)C)NC(=O)C1CCC(C(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000346142570 321215615 /nfs/dbraw/zinc/21/56/15/321215615.db2.gz RSYVNWOLCSUDFC-WXLSXGNJSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CN(C)C)NC(=O)C1CCC(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000346142569 321215625 /nfs/dbraw/zinc/21/56/25/321215625.db2.gz RSYVNWOLCSUDFC-PJPHBNEVSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)C1CCC(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000346142569 321215627 /nfs/dbraw/zinc/21/56/27/321215627.db2.gz RSYVNWOLCSUDFC-PJPHBNEVSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)CN1CCN(C)CC1 ZINC000532317657 322053060 /nfs/dbraw/zinc/05/30/60/322053060.db2.gz ZRDVABOBYQMJPI-INMHGKMJSA-N 1 3 337.512 0.652 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)CN1CCN(C)CC1 ZINC000532317657 322053062 /nfs/dbraw/zinc/05/30/62/322053062.db2.gz ZRDVABOBYQMJPI-INMHGKMJSA-N 1 3 337.512 0.652 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000547439636 322127130 /nfs/dbraw/zinc/12/71/30/322127130.db2.gz LLSOTAGHRBJUOL-UXLLHSPISA-N 1 3 337.512 0.794 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000547439636 322127132 /nfs/dbraw/zinc/12/71/32/322127132.db2.gz LLSOTAGHRBJUOL-UXLLHSPISA-N 1 3 337.512 0.794 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000560602152 322247212 /nfs/dbraw/zinc/24/72/12/322247212.db2.gz XNUSFVBUKKZBTM-UHFFFAOYSA-N 1 3 326.485 0.731 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000563076080 322296344 /nfs/dbraw/zinc/29/63/44/322296344.db2.gz HKSHIAKIBYWUSQ-DLBZAZTESA-N 1 3 349.479 0.630 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@@H]1C ZINC000563147543 322301367 /nfs/dbraw/zinc/30/13/67/322301367.db2.gz JAMNFAPMPOKHMK-GJZGRUSLSA-N 1 3 326.485 0.443 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCCC[NH2+]C2CC2)CC1=O ZINC000563206026 322304137 /nfs/dbraw/zinc/30/41/37/322304137.db2.gz ITMRUBBQGYBBNH-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000563804856 322344588 /nfs/dbraw/zinc/34/45/88/322344588.db2.gz NYCKBMCXBMTZNK-AWEZNQCLSA-N 1 3 330.432 0.823 20 0 ECADHO NC1(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCCC1 ZINC000567926310 322606555 /nfs/dbraw/zinc/60/65/55/322606555.db2.gz GPNGUXQZWZYBPL-GJZGRUSLSA-N 1 3 349.479 0.395 20 0 ECADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000568491659 322629858 /nfs/dbraw/zinc/62/98/58/322629858.db2.gz YCFHKUDTBAZUKY-HZSPNIEDSA-N 1 3 346.422 0.912 20 0 ECADHO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000571857630 322735139 /nfs/dbraw/zinc/73/51/39/322735139.db2.gz SWXPVMHKDSTQIT-QLFBSQMISA-N 1 3 339.484 0.131 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000572282824 322742286 /nfs/dbraw/zinc/74/22/86/322742286.db2.gz QCUYSEFYXCWFAB-CQSZACIVSA-N 1 3 338.456 0.200 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000572961080 322754090 /nfs/dbraw/zinc/75/40/90/322754090.db2.gz YDHQWAWFEPDHST-WMLDXEAASA-N 1 3 346.475 0.918 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000573227654 322758592 /nfs/dbraw/zinc/75/85/92/322758592.db2.gz XEUBZAITRMZNDI-UHFFFAOYSA-N 1 3 336.436 0.286 20 0 ECADHO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)NC3CNC3)c2)CC1 ZINC000574021883 322771937 /nfs/dbraw/zinc/77/19/37/322771937.db2.gz XOESTZBYSBULGK-UHFFFAOYSA-N 1 3 344.459 0.988 20 0 ECADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000576227953 322803549 /nfs/dbraw/zinc/80/35/49/322803549.db2.gz NVGDXPWSKURGIY-AWEZNQCLSA-N 1 3 332.452 0.184 20 0 ECADHO C[C@@H](NC1CC1)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000578988444 322882173 /nfs/dbraw/zinc/88/21/73/322882173.db2.gz LOTJGUBZYQDQHL-SNVBAGLBSA-N 1 3 326.422 0.003 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000248586419 545943032 /nfs/dbraw/zinc/94/30/32/545943032.db2.gz VXIRICQHCBZNFM-CVEARBPZSA-N 1 3 325.501 0.796 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000248586419 545943035 /nfs/dbraw/zinc/94/30/35/545943035.db2.gz VXIRICQHCBZNFM-CVEARBPZSA-N 1 3 325.501 0.796 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333734322 546063090 /nfs/dbraw/zinc/06/30/90/546063090.db2.gz WPMPXOYPYAMHQC-GJZGRUSLSA-N 1 3 325.501 0.842 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000343002446 546090338 /nfs/dbraw/zinc/09/03/38/546090338.db2.gz BMCODEMSJBZYCZ-AWEZNQCLSA-N 1 3 326.485 0.776 20 0 ECADHO CCN1CCN(CCC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000620970573 546468631 /nfs/dbraw/zinc/46/86/31/546468631.db2.gz SXZJGWXSZOWGSF-KRWDZBQOSA-N 1 3 340.512 0.583 20 0 ECADHO CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000621531764 546520812 /nfs/dbraw/zinc/52/08/12/546520812.db2.gz HYPOFNPBTHMLJL-DZGCQCFKSA-N 1 3 327.473 0.178 20 0 ECADHO CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000621531764 546520816 /nfs/dbraw/zinc/52/08/16/546520816.db2.gz HYPOFNPBTHMLJL-DZGCQCFKSA-N 1 3 327.473 0.178 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@H]1CCCN3CCCC[C@@H]13)C2 ZINC000621849584 546578225 /nfs/dbraw/zinc/57/82/25/546578225.db2.gz YFVOUDJGLFVYOE-LLDVTBCESA-N 1 3 334.464 0.459 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](N3CCCC3)C1)C2 ZINC000622026906 546608424 /nfs/dbraw/zinc/60/84/24/546608424.db2.gz USXKQGZAAIYPTO-MPGHIAIKSA-N 1 3 334.464 0.413 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028419 546610079 /nfs/dbraw/zinc/61/00/79/546610079.db2.gz QKTAWELJLKFNEE-KDOFPFPSSA-N 1 3 348.447 0.510 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028421 546610605 /nfs/dbraw/zinc/61/06/05/546610605.db2.gz QKTAWELJLKFNEE-RDTXWAMCSA-N 1 3 348.447 0.510 20 0 ECADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2nc(N)nc(N)n2)C1 ZINC000623861964 546851771 /nfs/dbraw/zinc/85/17/71/546851771.db2.gz HPJCOJVTBLKVDK-LBPRGKRZSA-N 1 3 327.436 0.963 20 0 ECADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2nc(N)nc(N)n2)C1 ZINC000623861964 546851774 /nfs/dbraw/zinc/85/17/74/546851774.db2.gz HPJCOJVTBLKVDK-LBPRGKRZSA-N 1 3 327.436 0.963 20 0 ECADHO CCC(=O)N[C@@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000624650349 546950487 /nfs/dbraw/zinc/95/04/87/546950487.db2.gz FBNJVFSPAKNVKY-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CCC(=O)N[C@@H](C)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000624650349 546950489 /nfs/dbraw/zinc/95/04/89/546950489.db2.gz FBNJVFSPAKNVKY-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000661036787 547449282 /nfs/dbraw/zinc/44/92/82/547449282.db2.gz MDMRILLASBZBKG-HZPDHXFCSA-N 1 3 325.501 0.796 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000661036787 547449286 /nfs/dbraw/zinc/44/92/86/547449286.db2.gz MDMRILLASBZBKG-HZPDHXFCSA-N 1 3 325.501 0.796 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000661024894 547449418 /nfs/dbraw/zinc/44/94/18/547449418.db2.gz LXPMGQWQFKTCNW-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000667332993 547503097 /nfs/dbraw/zinc/50/30/97/547503097.db2.gz ZQELRUUTMSAZGK-CYBMUJFWSA-N 1 3 336.436 0.761 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667535954 547529405 /nfs/dbraw/zinc/52/94/05/547529405.db2.gz XVKJMYCGGHWAEE-DOTOQJQBSA-N 1 3 344.459 0.940 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000668397684 547645891 /nfs/dbraw/zinc/64/58/91/547645891.db2.gz MGEGDRJTSBQFDA-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCN(CC)C1 ZINC000668584488 547692884 /nfs/dbraw/zinc/69/28/84/547692884.db2.gz DDZNYACMZTTXLM-ARFHVFGLSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCN(CC)C1 ZINC000668584488 547692887 /nfs/dbraw/zinc/69/28/87/547692887.db2.gz DDZNYACMZTTXLM-ARFHVFGLSA-N 1 3 336.480 0.672 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000668651402 547713184 /nfs/dbraw/zinc/71/31/84/547713184.db2.gz HQAKNXKOPBPBDT-PMPSAXMXSA-N 1 3 338.496 0.824 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000668651402 547713188 /nfs/dbraw/zinc/71/31/88/547713188.db2.gz HQAKNXKOPBPBDT-PMPSAXMXSA-N 1 3 338.496 0.824 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000668730741 547737730 /nfs/dbraw/zinc/73/77/30/547737730.db2.gz UHURULOPFQYQHX-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000668730741 547737732 /nfs/dbraw/zinc/73/77/32/547737732.db2.gz UHURULOPFQYQHX-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)NC[C@H](C)[NH3+])cc2)CC1 ZINC000669236496 547857068 /nfs/dbraw/zinc/85/70/68/547857068.db2.gz NERRHXNMWWFGJK-HNNXBMFYSA-N 1 3 333.480 0.971 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CCO1 ZINC000669400960 547885953 /nfs/dbraw/zinc/88/59/53/547885953.db2.gz OPIOQPYDXRMCOJ-XIRDDKMYSA-N 1 3 334.464 0.917 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000669547213 547904945 /nfs/dbraw/zinc/90/49/45/547904945.db2.gz ZZOBSWSPLAUMJQ-HNNXBMFYSA-N 1 3 335.452 0.963 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670442033 548011176 /nfs/dbraw/zinc/01/11/76/548011176.db2.gz CCYAPGPHCNDZNG-LQKXBSAESA-N 1 3 334.464 0.280 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670442033 548011181 /nfs/dbraw/zinc/01/11/81/548011181.db2.gz CCYAPGPHCNDZNG-LQKXBSAESA-N 1 3 334.464 0.280 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000671091671 548088857 /nfs/dbraw/zinc/08/88/57/548088857.db2.gz AHMJRWKWYMTRFF-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](NC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672011163 548254762 /nfs/dbraw/zinc/25/47/62/548254762.db2.gz HCAOUMHMOUFFRZ-IJEWVQPXSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672011214 548254958 /nfs/dbraw/zinc/25/49/58/548254958.db2.gz QSBAXOCHNILNKY-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000672204338 548280760 /nfs/dbraw/zinc/28/07/60/548280760.db2.gz KEZOSDZURMSKKA-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000672204683 548281009 /nfs/dbraw/zinc/28/10/09/548281009.db2.gz VVGKKWPQTKWPMG-JKSUJKDBSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000672698519 548374041 /nfs/dbraw/zinc/37/40/41/548374041.db2.gz RTLNIDCONHLZQS-RBSFLKMASA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H]1CN(CCCC[NH2+]C2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000675783753 548761886 /nfs/dbraw/zinc/76/18/86/548761886.db2.gz SJOBUEOOJOBFBD-GJZGRUSLSA-N 1 3 347.525 0.889 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676093586 548788149 /nfs/dbraw/zinc/78/81/49/548788149.db2.gz WYQUTARYPKOLIV-ZDUSSCGKSA-N 1 3 338.456 0.230 20 0 ECADHO CN(C(=O)[C@@H]1CN2CCN1CCC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000677911838 548972255 /nfs/dbraw/zinc/97/22/55/548972255.db2.gz IGQUFMANPSLTTD-ROUUACIJSA-N 1 3 349.523 0.003 20 0 ECADHO CN(C(=O)[C@@H]1CN2CCN1CCC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000677911838 548972261 /nfs/dbraw/zinc/97/22/61/548972261.db2.gz IGQUFMANPSLTTD-ROUUACIJSA-N 1 3 349.523 0.003 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000685310144 549676804 /nfs/dbraw/zinc/67/68/04/549676804.db2.gz AWVLIARRAGGAKB-VDERGJSUSA-N 1 3 336.480 0.384 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000685310144 549676808 /nfs/dbraw/zinc/67/68/08/549676808.db2.gz AWVLIARRAGGAKB-VDERGJSUSA-N 1 3 336.480 0.384 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=S)NCCC[NH+](C)C ZINC000751039399 579362297 /nfs/dbraw/zinc/36/22/97/579362297.db2.gz PJVZTRXOZCPARJ-AWEZNQCLSA-N 1 3 343.541 0.345 20 0 ECADHO CN(C(=O)CCN1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732558575 578327319 /nfs/dbraw/zinc/32/73/19/578327319.db2.gz BSQKDNLWZBFXNA-KRWDZBQOSA-N 1 3 338.496 0.336 20 0 ECADHO Cn1ncc2c1ncnc2N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788469363 578838008 /nfs/dbraw/zinc/83/80/08/578838008.db2.gz IKEPRACDVSZEIP-UHFFFAOYSA-N 1 3 329.452 0.827 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000793696511 578935270 /nfs/dbraw/zinc/93/52/70/578935270.db2.gz AVQUVAHDULYDTA-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793708195 578936476 /nfs/dbraw/zinc/93/64/76/578936476.db2.gz LPIZGLKEUGIYPJ-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)N1CCCCC1 ZINC000793716661 578937294 /nfs/dbraw/zinc/93/72/94/578937294.db2.gz KQAISTXZTAQOLQ-GJZGRUSLSA-N 1 3 336.480 0.744 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)N1CCCCC1 ZINC000793716661 578937295 /nfs/dbraw/zinc/93/72/95/578937295.db2.gz KQAISTXZTAQOLQ-GJZGRUSLSA-N 1 3 336.480 0.744 20 0 ECADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCN(C=O)CC2)cc1 ZINC000774250164 579244238 /nfs/dbraw/zinc/24/42/38/579244238.db2.gz FQKMROGGPRTORA-UHFFFAOYSA-N 1 3 332.448 0.688 20 0 ECADHO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000762786845 579548325 /nfs/dbraw/zinc/54/83/25/579548325.db2.gz LGWVXYYYTJDGSR-WDSOQIARSA-N 1 3 333.476 0.932 20 0 ECADHO C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000762786845 579548326 /nfs/dbraw/zinc/54/83/26/579548326.db2.gz LGWVXYYYTJDGSR-WDSOQIARSA-N 1 3 333.476 0.932 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N1CCCCC1 ZINC000842015120 589008040 /nfs/dbraw/zinc/00/80/40/589008040.db2.gz GVZNNZVLISSUKE-FXUDXRNXSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)N1CCCCC1 ZINC000842015862 589008121 /nfs/dbraw/zinc/00/81/21/589008121.db2.gz PERBIELLDFHZDS-ZBFHGGJFSA-N 1 3 332.448 0.793 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842053177 589009780 /nfs/dbraw/zinc/00/97/80/589009780.db2.gz KUFJXWAWIMNBHQ-FXQLRMTLSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CCC(C)CC1 ZINC000842139349 589013156 /nfs/dbraw/zinc/01/31/56/589013156.db2.gz UTHBVMLZOAOMIL-QAPCUYQASA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)NCCC[NH3+])CCN(Cc2ccccc2)C1 ZINC000842187846 589018848 /nfs/dbraw/zinc/01/88/48/589018848.db2.gz BBPIEXDFXWUUQA-SFHVURJKSA-N 1 3 332.448 0.480 20 0 ECADHO CCN(CCNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)C1CC1 ZINC000842185417 589018857 /nfs/dbraw/zinc/01/88/57/589018857.db2.gz GAOQRDWBIAFPKF-UHFFFAOYSA-N 1 3 332.448 0.405 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000842190405 589019203 /nfs/dbraw/zinc/01/92/03/589019203.db2.gz SAHOBAONYCVGKO-VQIMIIECSA-N 1 3 344.459 0.493 20 0 ECADHO O=C(NC1CCC([NH+]2CCCCC2)CC1)C(=O)N1CCCNCC1 ZINC000842203019 589020672 /nfs/dbraw/zinc/02/06/72/589020672.db2.gz OFDVXVWKIOWPLI-UHFFFAOYSA-N 1 3 336.480 0.722 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000842228137 589022433 /nfs/dbraw/zinc/02/24/33/589022433.db2.gz CRTUBHZCQQBMLA-KRWDZBQOSA-N 1 3 344.459 0.501 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000842249783 589024327 /nfs/dbraw/zinc/02/43/27/589024327.db2.gz FCCWVSVEMFOSTB-KRWDZBQOSA-N 1 3 348.491 0.719 20 0 ECADHO CCC1([NH3+])CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000891604006 586180905 /nfs/dbraw/zinc/18/09/05/586180905.db2.gz UYVACIPRJSLASS-OAHLLOKOSA-N 1 3 325.501 0.783 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)CN1CCN(C)CC1 ZINC000891602290 586181020 /nfs/dbraw/zinc/18/10/20/586181020.db2.gz KMRIJKYSFYGQLY-ZIAGYGMSSA-N 1 3 347.454 0.414 20 0 ECADHO CCN(C(=O)NCc1ccnc(OCCN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000891728349 586192185 /nfs/dbraw/zinc/19/21/85/586192185.db2.gz XFAHVUJJOKJBFQ-OAHLLOKOSA-N 1 3 335.452 0.915 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000892118560 586222908 /nfs/dbraw/zinc/22/29/08/586222908.db2.gz LHAPYMWKZPRCKV-KKUMJFAQSA-N 1 3 326.485 0.896 20 0 ECADHO C[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CCN1c1ccncc1 ZINC000892169404 586226822 /nfs/dbraw/zinc/22/68/22/586226822.db2.gz YXINDEWXHCTCEW-GOEBONIOSA-N 1 3 333.436 0.680 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)CC1 ZINC000892188110 586228413 /nfs/dbraw/zinc/22/84/13/586228413.db2.gz OVZDREBDNOVABH-BRWVUGGUSA-N 1 3 349.523 0.796 20 0 ECADHO CN1CCC(O)(CNC(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892343860 586255279 /nfs/dbraw/zinc/25/52/79/586255279.db2.gz UMIKRANCEFDBKS-UHFFFAOYSA-N 1 3 332.448 0.588 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)NC[C@H]2CCCN2CCCO)[NH2+]C1 ZINC000892383852 586261791 /nfs/dbraw/zinc/26/17/91/586261791.db2.gz NDUJLBFFRVENHL-LSDHHAIUSA-N 1 3 326.485 0.911 20 0 ECADHO [NH3+][C@H]1C[C@H](CNC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000892567424 586274223 /nfs/dbraw/zinc/27/42/23/586274223.db2.gz RUZZCOWWRGXNEC-HDJSIYSDSA-N 1 3 325.457 0.015 20 0 ECADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896980556 586279700 /nfs/dbraw/zinc/27/97/00/586279700.db2.gz YZWLHJNUILKSMY-KRWDZBQOSA-N 1 3 337.464 0.467 20 0 ECADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C1CN(C2CCOCC2)C1 ZINC000897235971 586289902 /nfs/dbraw/zinc/28/99/02/586289902.db2.gz VRLBSBWCVFQHNJ-KRWDZBQOSA-N 1 3 339.480 0.450 20 0 ECADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C1CN(C2CCOCC2)C1 ZINC000897235971 586289904 /nfs/dbraw/zinc/28/99/04/586289904.db2.gz VRLBSBWCVFQHNJ-KRWDZBQOSA-N 1 3 339.480 0.450 20 0 ECADHO C[C@H]1CN(C(=O)NCCC(C)(C)[NH3+])CC[C@H]1N1CCN(C)CC1 ZINC000892854976 586296398 /nfs/dbraw/zinc/29/63/98/586296398.db2.gz VHEIBGRASABDNM-LSDHHAIUSA-N 1 3 325.501 0.781 20 0 ECADHO CN1CC[NH+](CCC(C)(C)NC(=O)C2CN([C@@H]3CCOC3)C2)CC1 ZINC000897423178 586312796 /nfs/dbraw/zinc/31/27/96/586312796.db2.gz LLKYYTNAJOOQKM-MRXNPFEDSA-N 1 3 338.496 0.239 20 0 ECADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000897558363 586344380 /nfs/dbraw/zinc/34/43/80/586344380.db2.gz YYPQBPIZQWDBDE-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000897558363 586344383 /nfs/dbraw/zinc/34/43/83/586344383.db2.gz YYPQBPIZQWDBDE-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000898621739 586438707 /nfs/dbraw/zinc/43/87/07/586438707.db2.gz CTQKZLAIMOBHIJ-FXUDXRNXSA-N 1 3 338.496 0.347 20 0 ECADHO C[NH+]1CCC(CNC(=S)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000899666879 586494366 /nfs/dbraw/zinc/49/43/66/586494366.db2.gz NENQPVFBHUYOGT-HZPDHXFCSA-N 1 3 340.537 0.734 20 0 ECADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)C1 ZINC000900418673 586630808 /nfs/dbraw/zinc/63/08/08/586630808.db2.gz QEMMZILXWUHMIB-FUHWJXTLSA-N 1 3 339.480 0.547 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000900476061 586636851 /nfs/dbraw/zinc/63/68/51/586636851.db2.gz MAGJGQWYBJYYEL-KKUMJFAQSA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000900476061 586636852 /nfs/dbraw/zinc/63/68/52/586636852.db2.gz MAGJGQWYBJYYEL-KKUMJFAQSA-N 1 3 326.485 0.678 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843261973 589058276 /nfs/dbraw/zinc/05/82/76/589058276.db2.gz POGMXJBOWYZQKJ-LSDHHAIUSA-N 1 3 326.485 0.858 20 0 ECADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000900685405 586656258 /nfs/dbraw/zinc/65/62/58/586656258.db2.gz RTCASNBRHUFECQ-FUHWJXTLSA-N 1 3 339.480 0.593 20 0 ECADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000900685405 586656259 /nfs/dbraw/zinc/65/62/59/586656259.db2.gz RTCASNBRHUFECQ-FUHWJXTLSA-N 1 3 339.480 0.593 20 0 ECADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000901058746 586688495 /nfs/dbraw/zinc/68/84/95/586688495.db2.gz XZXHJJPDCPIDQV-RDJZCZTQSA-N 1 3 325.453 0.203 20 0 ECADHO C[N@H+]1CCC[C@](O)(CC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000901058746 586688496 /nfs/dbraw/zinc/68/84/96/586688496.db2.gz XZXHJJPDCPIDQV-RDJZCZTQSA-N 1 3 325.453 0.203 20 0 ECADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000901058744 586688623 /nfs/dbraw/zinc/68/86/23/586688623.db2.gz XZXHJJPDCPIDQV-DOTOQJQBSA-N 1 3 325.453 0.203 20 0 ECADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000901058744 586688624 /nfs/dbraw/zinc/68/86/24/586688624.db2.gz XZXHJJPDCPIDQV-DOTOQJQBSA-N 1 3 325.453 0.203 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CCC12CCN(C)CC2 ZINC000889219810 586768026 /nfs/dbraw/zinc/76/80/26/586768026.db2.gz AAROBGWHYMNUFB-UHFFFAOYSA-N 1 3 327.469 0.668 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CCC12CCN(C)CC2 ZINC000889219810 586768027 /nfs/dbraw/zinc/76/80/27/586768027.db2.gz AAROBGWHYMNUFB-UHFFFAOYSA-N 1 3 327.469 0.668 20 0 ECADHO CN1CCC[C@H](N2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)C1 ZINC000903741389 586807252 /nfs/dbraw/zinc/80/72/52/586807252.db2.gz PEOQBBAFTQSGTR-ZWKOTPCHSA-N 1 3 336.524 0.857 20 0 ECADHO COCCOCCOCCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000903761267 586808275 /nfs/dbraw/zinc/80/82/75/586808275.db2.gz OLZVKFJGHRFQPC-SJORKVTESA-N 1 3 330.469 0.884 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCN2CCCS2(=O)=O)C1 ZINC000903767873 586810183 /nfs/dbraw/zinc/81/01/83/586810183.db2.gz ISLZARYBJZBSFA-QLFBSQMISA-N 1 3 331.482 0.383 20 0 ECADHO CCOC(=O)[C@@H]1C[C@H]1CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000903770842 586810562 /nfs/dbraw/zinc/81/05/62/586810562.db2.gz ZJHJFTVPPWOVHC-MYPMTAMASA-N 1 3 337.420 0.443 20 0 ECADHO CCOC(=O)CNC(=O)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903755764 586812160 /nfs/dbraw/zinc/81/21/60/586812160.db2.gz LIXPKXRYUBQCTL-CQSZACIVSA-N 1 3 325.453 0.767 20 0 ECADHO C[C@H](NC[C@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccc(S(N)(=O)=O)cc1 ZINC000903791301 586812972 /nfs/dbraw/zinc/81/29/72/586812972.db2.gz RLWGMRGHRYPCDB-BJJXKVORSA-N 1 3 339.461 0.753 20 0 ECADHO NS(=O)(=O)c1ccc(C2CCN(CCOCC[NH3+])CC2)cc1 ZINC000903823917 586817887 /nfs/dbraw/zinc/81/78/87/586817887.db2.gz LABZRGJIWWUKLN-UHFFFAOYSA-N 1 3 327.450 0.489 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000903880543 586822910 /nfs/dbraw/zinc/82/29/10/586822910.db2.gz TVFKKLDDTKOUTQ-SJLPKXTDSA-N 1 3 348.495 0.889 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H](Cn3ccnn3)C2)cnn1C ZINC000903898657 586824208 /nfs/dbraw/zinc/82/42/08/586824208.db2.gz MTIMBBMIRVHMFM-CVEARBPZSA-N 1 3 331.468 0.850 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cnn1C ZINC000903898657 586824210 /nfs/dbraw/zinc/82/42/10/586824210.db2.gz MTIMBBMIRVHMFM-CVEARBPZSA-N 1 3 331.468 0.850 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cnn1C ZINC000903898657 586824212 /nfs/dbraw/zinc/82/42/12/586824212.db2.gz MTIMBBMIRVHMFM-CVEARBPZSA-N 1 3 331.468 0.850 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCNC[C@@H]1c1cccnc1 ZINC000903905270 586824942 /nfs/dbraw/zinc/82/49/42/586824942.db2.gz BYMPZCARNHUEEQ-DOTOQJQBSA-N 1 3 327.436 0.744 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908956 586825126 /nfs/dbraw/zinc/82/51/26/586825126.db2.gz QFMPYUKMVNTYSV-RDJZCZTQSA-N 1 3 348.495 0.888 20 0 ECADHO COCC(C)(C)N1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903929787 586826441 /nfs/dbraw/zinc/82/64/41/586826441.db2.gz LMIWFZHGJKHILY-INIZCTEOSA-N 1 3 337.512 0.889 20 0 ECADHO COC(=O)[C@@H]1CN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C[C@H]1C1CC1 ZINC000903932208 586826893 /nfs/dbraw/zinc/82/68/93/586826893.db2.gz OPKIYKOBJNOIBB-XOKHGSTOSA-N 1 3 334.464 0.977 20 0 ECADHO COC(=O)[C@@H]1C[N@H+](C[C@@H](CN)Cc2cnn(C)c2C)C[C@H]1C1CC1 ZINC000903932208 586826895 /nfs/dbraw/zinc/82/68/95/586826895.db2.gz OPKIYKOBJNOIBB-XOKHGSTOSA-N 1 3 334.464 0.977 20 0 ECADHO COC(=O)[C@@H]1C[N@@H+](C[C@@H](CN)Cc2cnn(C)c2C)C[C@H]1C1CC1 ZINC000903932208 586826897 /nfs/dbraw/zinc/82/68/97/586826897.db2.gz OPKIYKOBJNOIBB-XOKHGSTOSA-N 1 3 334.464 0.977 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CCCC2)C1 ZINC000839285575 586847477 /nfs/dbraw/zinc/84/74/77/586847477.db2.gz DTWXSVJJGJTVAO-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]2CC[C@]21CN ZINC000904971423 586851646 /nfs/dbraw/zinc/85/16/46/586851646.db2.gz INABAPWGCJMHAH-YJBOKZPZSA-N 1 3 336.480 0.661 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@]32CN)C1 ZINC000904976771 586852965 /nfs/dbraw/zinc/85/29/65/586852965.db2.gz YXJKREUQFMLXHQ-MPGHIAIKSA-N 1 3 336.480 0.517 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@]32CN)C1 ZINC000904976771 586852967 /nfs/dbraw/zinc/85/29/67/586852967.db2.gz YXJKREUQFMLXHQ-MPGHIAIKSA-N 1 3 336.480 0.517 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[C@@]43CN)CC[C@@H]21 ZINC000905007450 586859304 /nfs/dbraw/zinc/85/93/04/586859304.db2.gz IBYNODKWOGOFNF-LDDOYCOJSA-N 1 3 334.464 0.269 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[C@@]43CN)CC[C@@H]21 ZINC000905007450 586859307 /nfs/dbraw/zinc/85/93/07/586859307.db2.gz IBYNODKWOGOFNF-LDDOYCOJSA-N 1 3 334.464 0.269 20 0 ECADHO CN1CCN(CC2CCN(C(=O)CO[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000843486255 589071422 /nfs/dbraw/zinc/07/14/22/589071422.db2.gz CAVCOFOLFISREY-KRWDZBQOSA-N 1 3 338.496 0.241 20 0 ECADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843488584 589071579 /nfs/dbraw/zinc/07/15/79/589071579.db2.gz GLVYLARECKALCV-PBHICJAKSA-N 1 3 343.443 0.954 20 0 ECADHO CN1CCC(C[NH2+]C[C@@H](O)C2(O)CCC2)(N2CCCCC2)CC1 ZINC000905140616 586874484 /nfs/dbraw/zinc/87/44/84/586874484.db2.gz XILBORWJWOQSOF-MRXNPFEDSA-N 1 3 325.497 0.802 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000905669387 586908548 /nfs/dbraw/zinc/90/85/48/586908548.db2.gz XGYDUVDJFWAVST-HUUCEWRRSA-N 1 3 326.485 0.095 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)C2CN(C)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000905669387 586908550 /nfs/dbraw/zinc/90/85/50/586908550.db2.gz XGYDUVDJFWAVST-HUUCEWRRSA-N 1 3 326.485 0.095 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(O)CCOCC1 ZINC000906489054 586950768 /nfs/dbraw/zinc/95/07/68/586950768.db2.gz RZZVHRJZEATXOI-INIZCTEOSA-N 1 3 341.496 0.793 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(O)CCOCC1 ZINC000906489054 586950771 /nfs/dbraw/zinc/95/07/71/586950771.db2.gz RZZVHRJZEATXOI-INIZCTEOSA-N 1 3 341.496 0.793 20 0 ECADHO CN(C)Cc1cc(CNC(=O)C2CN(C)CC[N@H+](C)C2)ccc1F ZINC000906707958 586969039 /nfs/dbraw/zinc/96/90/39/586969039.db2.gz GYFLRPUFBBFEIL-UHFFFAOYSA-N 1 3 336.455 0.997 20 0 ECADHO CN(C)Cc1cc(CNC(=O)C2CN(C)CC[N@@H+](C)C2)ccc1F ZINC000906707958 586969041 /nfs/dbraw/zinc/96/90/41/586969041.db2.gz GYFLRPUFBBFEIL-UHFFFAOYSA-N 1 3 336.455 0.997 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000817952327 587393301 /nfs/dbraw/zinc/39/33/01/587393301.db2.gz JVSNLGWYCXLPEM-INIZCTEOSA-N 1 3 332.448 0.656 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183149 589100081 /nfs/dbraw/zinc/10/00/81/589100081.db2.gz UJRXSAPRWMMEOX-HNNXBMFYSA-N 1 3 337.420 0.870 20 0 ECADHO C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc(-c2nnn[n-]2)cn1 ZINC000821584505 587602375 /nfs/dbraw/zinc/60/23/75/587602375.db2.gz HDKVTHDXAGCBHM-UHFFFAOYSA-N 1 3 332.456 0.972 20 0 ECADHO C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc(-c2nn[n-]n2)cn1 ZINC000821584505 587602377 /nfs/dbraw/zinc/60/23/77/587602377.db2.gz HDKVTHDXAGCBHM-UHFFFAOYSA-N 1 3 332.456 0.972 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cnn(C)n1 ZINC000822952462 587693044 /nfs/dbraw/zinc/69/30/44/587693044.db2.gz RZRXSYGYLKMAAG-INIZCTEOSA-N 1 3 336.484 0.622 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cnn(C)n1 ZINC000822952462 587693046 /nfs/dbraw/zinc/69/30/46/587693046.db2.gz RZRXSYGYLKMAAG-INIZCTEOSA-N 1 3 336.484 0.622 20 0 ECADHO Cc1cc([C@@H](N)CC(=O)NCCCN2CC[NH2+]CC2)cc(Cl)n1 ZINC000832213192 588475059 /nfs/dbraw/zinc/47/50/59/588475059.db2.gz QHDHUNRIRJOLLP-AWEZNQCLSA-N 1 3 339.871 0.845 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCO1 ZINC000846226480 589192243 /nfs/dbraw/zinc/19/22/43/589192243.db2.gz ZBYAXFYJPPHFHC-UGUYLWEFSA-N 1 3 325.453 0.452 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCSC1 ZINC000867437713 589220252 /nfs/dbraw/zinc/22/02/52/589220252.db2.gz BQACZALJZWTOFS-AWEZNQCLSA-N 1 3 344.525 0.198 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)n1 ZINC000847487408 589251032 /nfs/dbraw/zinc/25/10/32/589251032.db2.gz FSESCORJWJKPSD-MRXNPFEDSA-N 1 3 349.479 0.818 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(C[NH3+])CC2)CC1 ZINC000852743857 589509740 /nfs/dbraw/zinc/50/97/40/589509740.db2.gz MIADSLASJNCNCM-CYBMUJFWSA-N 1 3 326.441 0.346 20 0 ECADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852858061 589518595 /nfs/dbraw/zinc/51/85/95/589518595.db2.gz ONONJWUMLKAXSK-HIFRSBDPSA-N 1 3 347.463 0.860 20 0 ECADHO CN1CCC(NC(=S)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000853042705 589530028 /nfs/dbraw/zinc/53/00/28/589530028.db2.gz BCBZUJOLKASAGL-HNNXBMFYSA-N 1 3 326.510 0.486 20 0 ECADHO CN1CCC(NC(=S)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000853042705 589530030 /nfs/dbraw/zinc/53/00/30/589530030.db2.gz BCBZUJOLKASAGL-HNNXBMFYSA-N 1 3 326.510 0.486 20 0 ECADHO CN(CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000866714046 589762301 /nfs/dbraw/zinc/76/23/01/589762301.db2.gz DUJOLPCVAWAZKC-BBWFWOEESA-N 1 3 330.432 0.990 20 0 ECADHO COCCC1(NS(=O)(=O)CCCN2CCCC2)CC[NH2+]CC1 ZINC000866826144 589783677 /nfs/dbraw/zinc/78/36/77/589783677.db2.gz UBXIOTGMFJLSAW-UHFFFAOYSA-N 1 3 333.498 0.550 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867515357 589797348 /nfs/dbraw/zinc/79/73/48/589797348.db2.gz KDEUDBHFMONRJQ-WCVJEAGWSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867515357 589797351 /nfs/dbraw/zinc/79/73/51/589797351.db2.gz KDEUDBHFMONRJQ-WCVJEAGWSA-N 1 3 336.480 0.338 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000867740664 589832790 /nfs/dbraw/zinc/83/27/90/589832790.db2.gz DMQJCHHKLDVNPR-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000867740664 589832793 /nfs/dbraw/zinc/83/27/93/589832793.db2.gz DMQJCHHKLDVNPR-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000868165781 589877497 /nfs/dbraw/zinc/87/74/97/589877497.db2.gz FSJPPNFJCRYJFT-AWEZNQCLSA-N 1 3 336.436 0.991 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000861748014 589886229 /nfs/dbraw/zinc/88/62/29/589886229.db2.gz KDEOFOJTRFEHMF-ZIAGYGMSSA-N 1 3 347.463 0.529 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000861814041 589895106 /nfs/dbraw/zinc/89/51/06/589895106.db2.gz ULFLQHSYEDNNOQ-XJKSGUPXSA-N 1 3 332.448 0.573 20 0 ECADHO CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCC1(C)C ZINC000868407261 589902732 /nfs/dbraw/zinc/90/27/32/589902732.db2.gz UACJMYBDFLBBFU-ZNMIVQPWSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868511661 589911017 /nfs/dbraw/zinc/91/10/17/589911017.db2.gz JVNNHBNZAJIPMH-IXDOHACOSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868511661 589911019 /nfs/dbraw/zinc/91/10/19/589911019.db2.gz JVNNHBNZAJIPMH-IXDOHACOSA-N 1 3 337.512 0.748 20 0 ECADHO CCN(C(=O)C(F)C(=O)N(CC)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C)C1 ZINC000869238192 589955277 /nfs/dbraw/zinc/95/52/77/589955277.db2.gz FGNNJVYYDXHGCT-KBPBESRZSA-N 1 3 342.459 0.430 20 0 ECADHO CCN(C(=O)C(F)C(=O)N(CC)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C)C1 ZINC000869238192 589955279 /nfs/dbraw/zinc/95/52/79/589955279.db2.gz FGNNJVYYDXHGCT-KBPBESRZSA-N 1 3 342.459 0.430 20 0 ECADHO CCCCOC(=O)CCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863548571 590022545 /nfs/dbraw/zinc/02/25/45/590022545.db2.gz RVAGCPYCLNRDTI-CABCVRRESA-N 1 3 339.436 0.977 20 0 ECADHO COC(=O)C(C)(C)CCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863643725 590028261 /nfs/dbraw/zinc/02/82/61/590028261.db2.gz UKFYQIYZVJBZLG-KGLIPLIRSA-N 1 3 339.436 0.833 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4COC(=O)[C@@H]4C3)CC2)CC1 ZINC000863755867 590034867 /nfs/dbraw/zinc/03/48/67/590034867.db2.gz CZCMYYLQVLVBHW-NVXWUHKLSA-N 1 3 349.475 0.814 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000863761135 590035552 /nfs/dbraw/zinc/03/55/52/590035552.db2.gz DMWIKMOMYIHPJE-GOEBONIOSA-N 1 3 332.448 0.525 20 0 ECADHO O=C(CCC12CC(C1)C[NH2+]2)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000870881184 590037061 /nfs/dbraw/zinc/03/70/61/590037061.db2.gz HWYGQXGXPJJPSW-UHFFFAOYSA-N 1 3 334.464 0.285 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998484 590044167 /nfs/dbraw/zinc/04/41/67/590044167.db2.gz CQPCEGCERNBKCM-YJNKXOJESA-N 1 3 336.436 0.254 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)[C@H](C)O)CC2)CC1 ZINC000871138167 590050986 /nfs/dbraw/zinc/05/09/86/590050986.db2.gz LUQCIGGXXSHCDW-BBRMVZONSA-N 1 3 327.469 0.041 20 0 ECADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000872146418 590097733 /nfs/dbraw/zinc/09/77/33/590097733.db2.gz NCEPBCRVTBTNRC-AIANPOQGSA-N 1 3 327.469 0.089 20 0 ECADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000872146418 590097737 /nfs/dbraw/zinc/09/77/37/590097737.db2.gz NCEPBCRVTBTNRC-AIANPOQGSA-N 1 3 327.469 0.089 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000864939627 590117531 /nfs/dbraw/zinc/11/75/31/590117531.db2.gz DUYYNCUHOQEPFE-UONOGXRCSA-N 1 3 342.484 0.898 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=S)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865243109 590135111 /nfs/dbraw/zinc/13/51/11/590135111.db2.gz KQAVBVMMJOECEN-ZDUSSCGKSA-N 1 3 330.542 0.884 20 0 ECADHO COc1cccc2c1OC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C2 ZINC000873223545 590186959 /nfs/dbraw/zinc/18/69/59/590186959.db2.gz QHVQFORBPLSIRO-HIFRSBDPSA-N 1 3 333.432 0.786 20 0 ECADHO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242617 590187317 /nfs/dbraw/zinc/18/73/17/590187317.db2.gz CFJGEICABGKGQT-HIFRSBDPSA-N 1 3 330.436 0.583 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCOC1=O ZINC000874265961 590229342 /nfs/dbraw/zinc/22/93/42/590229342.db2.gz CWLUOAJJRPNXHK-CQSZACIVSA-N 1 3 326.441 0.313 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCOC1=O ZINC000874265961 590229343 /nfs/dbraw/zinc/22/93/43/590229343.db2.gz CWLUOAJJRPNXHK-CQSZACIVSA-N 1 3 326.441 0.313 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000874974693 590259827 /nfs/dbraw/zinc/25/98/27/590259827.db2.gz GHRWKGSGTWXZCF-UHFFFAOYSA-N 1 3 326.485 0.824 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000874990668 590260971 /nfs/dbraw/zinc/26/09/71/590260971.db2.gz OQDCOCBPWXGBPE-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1)C1CC1 ZINC000875167213 590277489 /nfs/dbraw/zinc/27/74/89/590277489.db2.gz KFVCWWJWWFJKAL-UHFFFAOYSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@H+](C)C[C@@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000880254267 590379703 /nfs/dbraw/zinc/37/97/03/590379703.db2.gz QSBLMMYEEGKSAB-OAHLLOKOSA-N 1 3 326.485 0.105 20 0 ECADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000880254267 590379705 /nfs/dbraw/zinc/37/97/05/590379705.db2.gz QSBLMMYEEGKSAB-OAHLLOKOSA-N 1 3 326.485 0.105 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876866805 590420649 /nfs/dbraw/zinc/42/06/49/590420649.db2.gz XQUJLVMAVFMUIO-UONOGXRCSA-N 1 3 326.391 0.559 20 0 ECADHO Cn1ncc(CN)c1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000876961486 590429469 /nfs/dbraw/zinc/42/94/69/590429469.db2.gz VMEAYMKOOZIMHH-INIZCTEOSA-N 1 3 343.431 0.375 20 0 ECADHO Cn1ncc(CN)c1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000876961486 590429472 /nfs/dbraw/zinc/42/94/72/590429472.db2.gz VMEAYMKOOZIMHH-INIZCTEOSA-N 1 3 343.431 0.375 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000877206502 590444630 /nfs/dbraw/zinc/44/46/30/590444630.db2.gz IXGDBEHQWUCUJA-AWEZNQCLSA-N 1 3 328.420 0.684 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000877206502 590444633 /nfs/dbraw/zinc/44/46/33/590444633.db2.gz IXGDBEHQWUCUJA-AWEZNQCLSA-N 1 3 328.420 0.684 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1=O ZINC000877258555 590451129 /nfs/dbraw/zinc/45/11/29/590451129.db2.gz OUYXJKWVEQAKNJ-KBXCAEBGSA-N 1 3 338.496 0.620 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000877343191 590459569 /nfs/dbraw/zinc/45/95/69/590459569.db2.gz JTYFBNUQPHGDLL-LSDHHAIUSA-N 1 3 325.416 0.931 20 0 ECADHO CN(C)CCn1cc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cn1 ZINC000877355943 590460434 /nfs/dbraw/zinc/46/04/34/590460434.db2.gz PLLKGHAJITWRNV-PWSUYJOCSA-N 1 3 333.358 0.654 20 0 ECADHO CCCn1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000130603094 590600103 /nfs/dbraw/zinc/60/01/03/590600103.db2.gz UNIOGUOZMISMLJ-UHFFFAOYSA-N 1 3 338.456 0.183 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884875695 590638608 /nfs/dbraw/zinc/63/86/08/590638608.db2.gz JOUCVZBKCGFROV-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884911677 590647813 /nfs/dbraw/zinc/64/78/13/590647813.db2.gz RBOACUJFLWEGTA-SHTZXODSSA-N 1 3 326.485 0.666 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885153094 590688588 /nfs/dbraw/zinc/68/85/88/590688588.db2.gz GDAUYSLNPIIDTK-DLBZAZTESA-N 1 3 344.459 0.370 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884193239 590769147 /nfs/dbraw/zinc/76/91/47/590769147.db2.gz ZKLBFNFCTBULKL-OAHLLOKOSA-N 1 3 331.464 0.905 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884193239 590769151 /nfs/dbraw/zinc/76/91/51/590769151.db2.gz ZKLBFNFCTBULKL-OAHLLOKOSA-N 1 3 331.464 0.905 20 0 ECADHO COCC[C@@H](N)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000884206597 590774935 /nfs/dbraw/zinc/77/49/35/590774935.db2.gz ZEXFGKDDNJUXRN-OWCLPIDISA-N 1 3 326.485 0.367 20 0 ECADHO COCC[C@@H](N)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000884206597 590774936 /nfs/dbraw/zinc/77/49/36/590774936.db2.gz ZEXFGKDDNJUXRN-OWCLPIDISA-N 1 3 326.485 0.367 20 0 ECADHO C[NH2+]CCOc1cccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000884235541 590786331 /nfs/dbraw/zinc/78/63/31/590786331.db2.gz XWYISLJOCMAKOH-MRXNPFEDSA-N 1 3 348.491 0.898 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccnc(N4CCNCC4)c3)C[C@@H]21 ZINC000884247708 590787730 /nfs/dbraw/zinc/78/77/30/590787730.db2.gz CNLRNGRVMOUUHE-OWCLPIDISA-N 1 3 329.448 0.691 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884546114 590853402 /nfs/dbraw/zinc/85/34/02/590853402.db2.gz AVSHTVXWLSKIMS-LBPRGKRZSA-N 1 3 334.411 0.196 20 0 ECADHO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCNCCC12CCC2 ZINC000884604336 590869326 /nfs/dbraw/zinc/86/93/26/590869326.db2.gz FHGNKKBOXPMWQL-UHFFFAOYSA-N 1 3 348.491 0.864 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)[NH2+]C1 ZINC000884631582 590878648 /nfs/dbraw/zinc/87/86/48/590878648.db2.gz PDTUDDCSBKWXIM-LSDHHAIUSA-N 1 3 336.480 0.481 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000884700802 590901199 /nfs/dbraw/zinc/90/11/99/590901199.db2.gz WJFOARJGANQMQB-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000884724595 590911628 /nfs/dbraw/zinc/91/16/28/590911628.db2.gz XUTRJSLBTZSWNO-RBSFLKMASA-N 1 3 345.447 0.362 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C[NH2+]1 ZINC000884818322 590929058 /nfs/dbraw/zinc/92/90/58/590929058.db2.gz ZOTULOUTTROAQD-QLFBSQMISA-N 1 3 345.447 0.375 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000887091610 590942741 /nfs/dbraw/zinc/94/27/41/590942741.db2.gz PQSUEVQWAOCXQF-AWEZNQCLSA-N 1 3 345.447 0.316 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC12OCCO2 ZINC000889516301 591059167 /nfs/dbraw/zinc/05/91/67/591059167.db2.gz QRXAPRLFKCRAOY-CQSZACIVSA-N 1 3 328.457 0.417 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621314 611369581 /nfs/dbraw/zinc/36/95/81/611369581.db2.gz UQACHIAWKNNADP-GASCZTMLSA-N 1 3 336.480 0.387 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621314 611369585 /nfs/dbraw/zinc/36/95/85/611369585.db2.gz UQACHIAWKNNADP-GASCZTMLSA-N 1 3 336.480 0.387 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](N2C(=O)N[C@H](CN(C)C)C2=O)[C@@H](C)C1 ZINC000924631625 611419328 /nfs/dbraw/zinc/41/93/28/611419328.db2.gz ISEJYAXTLYIDHS-ZNMIVQPWSA-N 1 3 340.468 0.605 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](N2C(=O)N[C@H](CN(C)C)C2=O)[C@@H](C)C1 ZINC000924631625 611419330 /nfs/dbraw/zinc/41/93/30/611419330.db2.gz ISEJYAXTLYIDHS-ZNMIVQPWSA-N 1 3 340.468 0.605 20 0 ECADHO CC(C)(C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1)[NH+]1CCCC1 ZINC000946709964 611429281 /nfs/dbraw/zinc/42/92/81/611429281.db2.gz DDSQXKVBPZCMKI-GASCZTMLSA-N 1 3 336.480 0.517 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000930652903 611450319 /nfs/dbraw/zinc/45/03/19/611450319.db2.gz OYZSPUHWBZNFRF-AWEZNQCLSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000930652903 611450321 /nfs/dbraw/zinc/45/03/21/611450321.db2.gz OYZSPUHWBZNFRF-AWEZNQCLSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000946793520 611481598 /nfs/dbraw/zinc/48/15/98/611481598.db2.gz GFFAFSQYGHXSJM-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946779260 611472256 /nfs/dbraw/zinc/47/22/56/611472256.db2.gz LTZXYPCEQWQDAK-NXOAAHMSSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946779260 611472259 /nfs/dbraw/zinc/47/22/59/611472259.db2.gz LTZXYPCEQWQDAK-NXOAAHMSSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2CC1 ZINC000946779589 611472952 /nfs/dbraw/zinc/47/29/52/611472952.db2.gz PVZFWIGTKLOKPU-WCXIOVBPSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1 ZINC000946779589 611472954 /nfs/dbraw/zinc/47/29/54/611472954.db2.gz PVZFWIGTKLOKPU-WCXIOVBPSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000946793520 611481596 /nfs/dbraw/zinc/48/15/96/611481596.db2.gz GFFAFSQYGHXSJM-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO Cn1ccn2c(CCN[C@H]3CC[NH2+]C[C@H]3C3CCCC3)nnc2c1=O ZINC000925773801 611499672 /nfs/dbraw/zinc/49/96/72/611499672.db2.gz PKTNPEUOHIXKFR-GJZGRUSLSA-N 1 3 344.463 0.728 20 0 ECADHO Cc1cccc(NCCNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000927484432 611606616 /nfs/dbraw/zinc/60/66/16/611606616.db2.gz VBQIWUJBTBAJOG-LSDHHAIUSA-N 1 3 335.452 0.898 20 0 ECADHO Cc1cccc(NCCNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000927484432 611606617 /nfs/dbraw/zinc/60/66/17/611606617.db2.gz VBQIWUJBTBAJOG-LSDHHAIUSA-N 1 3 335.452 0.898 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000927639454 611623389 /nfs/dbraw/zinc/62/33/89/611623389.db2.gz BFRRXJFNTKOSFO-IRXDYDNUSA-N 1 3 334.464 0.895 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000927639454 611623390 /nfs/dbraw/zinc/62/33/90/611623390.db2.gz BFRRXJFNTKOSFO-IRXDYDNUSA-N 1 3 334.464 0.895 20 0 ECADHO CC(C)[C@H](C(=O)N1CCOC2(CC[NH+](C[C@@H](C)O)CC2)C1)N(C)C ZINC000949182710 608640643 /nfs/dbraw/zinc/64/06/43/608640643.db2.gz YBMHEWZHSKGNHF-HZPDHXFCSA-N 1 3 341.496 0.647 20 0 ECADHO CC[C@@H](C(=O)N1CCC(NC(=O)C2CC[NH+](C)CC2)CC1)N(C)C ZINC000947518564 608852563 /nfs/dbraw/zinc/85/25/63/608852563.db2.gz BHPSFBACHGFELA-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(C)C[C@@H](O)C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934752341 608857405 /nfs/dbraw/zinc/85/74/05/608857405.db2.gz OADYESFFJQRCFG-QRQCRPRQSA-N 1 3 334.530 0.585 20 0 ECADHO O=S1(=O)CCC[C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925808551 609010679 /nfs/dbraw/zinc/01/06/79/609010679.db2.gz MEWRQAUPNINSJH-QGZVFWFLSA-N 1 3 337.489 0.759 20 0 ECADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000900192186 609526911 /nfs/dbraw/zinc/52/69/11/609526911.db2.gz LJOAWMJRLBZWPU-HKUYNNGSSA-N 1 3 346.475 0.828 20 0 ECADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000900192186 609526913 /nfs/dbraw/zinc/52/69/13/609526913.db2.gz LJOAWMJRLBZWPU-HKUYNNGSSA-N 1 3 346.475 0.828 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NCC(=O)NCCN2CCCCC2)CC1 ZINC000909315697 609691569 /nfs/dbraw/zinc/69/15/69/609691569.db2.gz OXOPKSNDQPZHQX-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909317741 609692160 /nfs/dbraw/zinc/69/21/60/609692160.db2.gz IGWHPFIVGKHOEB-CQSZACIVSA-N 1 3 326.485 0.871 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CCN1C ZINC000925334491 609698497 /nfs/dbraw/zinc/69/84/97/609698497.db2.gz KVUGLZVHHVOJPF-WBVHZDCISA-N 1 3 337.512 0.748 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC000938401723 609778062 /nfs/dbraw/zinc/77/80/62/609778062.db2.gz BETMOTMQCDCIRB-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000938484703 609811637 /nfs/dbraw/zinc/81/16/37/609811637.db2.gz MRHINMYHOIDJLJ-GJZGRUSLSA-N 1 3 347.463 0.791 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000938484703 609811639 /nfs/dbraw/zinc/81/16/39/609811639.db2.gz MRHINMYHOIDJLJ-GJZGRUSLSA-N 1 3 347.463 0.791 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CN1C1CC1 ZINC000911145964 609814467 /nfs/dbraw/zinc/81/44/67/609814467.db2.gz IQNALILAPJLNCB-XYZKALLWSA-N 1 3 342.443 0.469 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)N1CCN(C)CC1 ZINC000913997849 609841950 /nfs/dbraw/zinc/84/19/50/609841950.db2.gz ALAOAPIUDSTAMQ-XHSDSOJGSA-N 1 3 325.501 0.650 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)N1CCN(C)CC1 ZINC000913997849 609841951 /nfs/dbraw/zinc/84/19/51/609841951.db2.gz ALAOAPIUDSTAMQ-XHSDSOJGSA-N 1 3 325.501 0.650 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000911284287 609846552 /nfs/dbraw/zinc/84/65/52/609846552.db2.gz NGLYZMYSIOGVCA-HNNXBMFYSA-N 1 3 332.448 0.651 20 0 ECADHO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000911324503 609847986 /nfs/dbraw/zinc/84/79/86/609847986.db2.gz DPHWRHAXXZRJKF-HRCADAONSA-N 1 3 336.480 0.768 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000911325321 609848446 /nfs/dbraw/zinc/84/84/46/609848446.db2.gz QUMLLLSGTUMBRE-KLHDSHLOSA-N 1 3 336.480 0.481 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911504963 609885082 /nfs/dbraw/zinc/88/50/82/609885082.db2.gz PWTDAQVMLZPVBU-OAHLLOKOSA-N 1 3 330.432 0.327 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3COCO3)CC2)CC1 ZINC000915492828 609914160 /nfs/dbraw/zinc/91/41/60/609914160.db2.gz MNNCSZFANOHSQD-OAHLLOKOSA-N 1 3 326.441 0.217 20 0 ECADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000911883896 609919007 /nfs/dbraw/zinc/91/90/07/609919007.db2.gz RSGFQPPDIYZPEB-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC000911883896 609919008 /nfs/dbraw/zinc/91/90/08/609919008.db2.gz RSGFQPPDIYZPEB-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CN(CC[N@H+](C)CCO)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000912606297 609976827 /nfs/dbraw/zinc/97/68/27/609976827.db2.gz NOYRAYAPLXHHLG-UHFFFAOYSA-N 1 3 348.491 0.430 20 0 ECADHO CN(CC[N@@H+](C)CCO)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000912606297 609976828 /nfs/dbraw/zinc/97/68/28/609976828.db2.gz NOYRAYAPLXHHLG-UHFFFAOYSA-N 1 3 348.491 0.430 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000938304483 610039388 /nfs/dbraw/zinc/03/93/88/610039388.db2.gz GNTGTTIGRSMEIZ-GVDBMIGSSA-N 1 3 348.491 0.672 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CCC1 ZINC000940621782 610313739 /nfs/dbraw/zinc/31/37/39/610313739.db2.gz GYPGVADZZKXZDM-HZPDHXFCSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1)N(C)C ZINC000941490330 610340009 /nfs/dbraw/zinc/34/00/09/610340009.db2.gz JZDUOBZAOHNLMP-HZPDHXFCSA-N 1 3 340.512 0.974 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941566513 610386348 /nfs/dbraw/zinc/38/63/48/610386348.db2.gz FQJWPXWGJNOTIB-QAPCUYQASA-N 1 3 334.508 0.813 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941566513 610386346 /nfs/dbraw/zinc/38/63/46/610386346.db2.gz FQJWPXWGJNOTIB-QAPCUYQASA-N 1 3 334.508 0.813 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000941645828 610438621 /nfs/dbraw/zinc/43/86/21/610438621.db2.gz QEBIEBUNGUSKQP-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)[NH+](C)C ZINC000942433871 610459043 /nfs/dbraw/zinc/45/90/43/610459043.db2.gz VOVGXONITPRFDC-ZMSDIMECSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)N(C)C ZINC000941683504 610462401 /nfs/dbraw/zinc/46/24/01/610462401.db2.gz LAEOEYKCFYLNQT-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)N(C)C ZINC000941683504 610462404 /nfs/dbraw/zinc/46/24/04/610462404.db2.gz LAEOEYKCFYLNQT-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000942556957 610515086 /nfs/dbraw/zinc/51/50/86/610515086.db2.gz FQDGZDFQSUKYLZ-UKRRQHHQSA-N 1 3 333.436 0.211 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000942556957 610515088 /nfs/dbraw/zinc/51/50/88/610515088.db2.gz FQDGZDFQSUKYLZ-UKRRQHHQSA-N 1 3 333.436 0.211 20 0 ECADHO C[C@H]1CN(CCn2cncn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597957 610531580 /nfs/dbraw/zinc/53/15/80/610531580.db2.gz 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CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000944104345 611125596 /nfs/dbraw/zinc/12/55/96/611125596.db2.gz DJQXHLPEPGVXIY-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[C@H]1C[NH3+] ZINC000923505529 611252776 /nfs/dbraw/zinc/25/27/76/611252776.db2.gz ASQDBTOEVXWRIP-GJZGRUSLSA-N 1 3 348.447 0.481 20 0 ECADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2c3c(nn2C)CCOC3)CC1 ZINC000921686932 611301504 /nfs/dbraw/zinc/30/15/04/611301504.db2.gz ZGLXZZYTFKQXIE-HNNXBMFYSA-N 1 3 335.496 0.856 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923611929 611329297 /nfs/dbraw/zinc/32/92/97/611329297.db2.gz ZDAPWYSEPBMEIX-HZPDHXFCSA-N 1 3 344.525 0.723 20 0 ECADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923611929 611329299 /nfs/dbraw/zinc/32/92/99/611329299.db2.gz ZDAPWYSEPBMEIX-HZPDHXFCSA-N 1 3 344.525 0.723 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCN1CCNC1=O ZINC000947935586 611747304 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ARGOXFGAPCBSAH-LSDHHAIUSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954651473 612493434 /nfs/dbraw/zinc/49/34/34/612493434.db2.gz GHAXQDGWARASPC-WBVHZDCISA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954651473 612493439 /nfs/dbraw/zinc/49/34/39/612493439.db2.gz GHAXQDGWARASPC-WBVHZDCISA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000954973373 612830093 /nfs/dbraw/zinc/83/00/93/612830093.db2.gz NJYNRMPKDLEIMQ-UHFFFAOYSA-N 1 3 345.447 0.497 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000954319731 612849274 /nfs/dbraw/zinc/84/92/74/612849274.db2.gz DRLQPZVVAPRJKI-NVXWUHKLSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000954319731 612849276 /nfs/dbraw/zinc/84/92/76/612849276.db2.gz DRLQPZVVAPRJKI-NVXWUHKLSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000954326467 612858214 /nfs/dbraw/zinc/85/82/14/612858214.db2.gz SPLKKVWIWZXJHC-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000954326467 612858216 /nfs/dbraw/zinc/85/82/16/612858216.db2.gz SPLKKVWIWZXJHC-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972005691 735490701 /nfs/dbraw/zinc/49/07/01/735490701.db2.gz NNPTVSHZLFGODI-DLBZAZTESA-N 1 3 346.479 0.685 20 0 ECADHO O=C([C@@H]1CCc2cncn2C1)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000969135426 731517707 /nfs/dbraw/zinc/51/77/07/731517707.db2.gz JBMWWRYVOUTQQQ-HUUCEWRRSA-N 1 3 345.447 0.258 20 0 ECADHO CN(C)C(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCCC1 ZINC001115571810 731626703 /nfs/dbraw/zinc/62/67/03/731626703.db2.gz PPYOMOIAZITVPB-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)C1(C(=O)NCC2CC([NH2+]CCN3CCCC3=O)C2)CCC1 ZINC001100404852 731801770 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733718623 /nfs/dbraw/zinc/71/86/23/733718623.db2.gz AOMADWLVKGSBNM-HZPDHXFCSA-N 1 3 341.496 0.554 20 0 ECADHO CC1CCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000970720712 733870687 /nfs/dbraw/zinc/87/06/87/733870687.db2.gz ZXHQOYFGMMHEAA-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001067478007 734314644 /nfs/dbraw/zinc/31/46/44/734314644.db2.gz QTZPDPNREYZUJU-MRXNPFEDSA-N 1 3 340.512 0.977 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001067478007 734314646 /nfs/dbraw/zinc/31/46/46/734314646.db2.gz QTZPDPNREYZUJU-MRXNPFEDSA-N 1 3 340.512 0.977 20 0 ECADHO CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104348658 734516299 /nfs/dbraw/zinc/51/62/99/734516299.db2.gz NSYKSMWBNFJOGP-BZUAXINKSA-N 1 3 340.512 0.927 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001104348602 734516339 /nfs/dbraw/zinc/51/63/39/734516339.db2.gz KLKHKLHATWDIHC-LVQVYYBASA-N 1 3 329.485 0.408 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1)C1CC1 ZINC000971684491 734949938 /nfs/dbraw/zinc/94/99/38/734949938.db2.gz HWGNMLBCLWDPHF-IRXDYDNUSA-N 1 3 333.480 0.836 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2ccnn2C)C1)C1CC1 ZINC000971684491 734949942 /nfs/dbraw/zinc/94/99/42/734949942.db2.gz HWGNMLBCLWDPHF-IRXDYDNUSA-N 1 3 333.480 0.836 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001167634971 736184839 /nfs/dbraw/zinc/18/48/39/736184839.db2.gz IVPZNJQVWJNGKQ-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](CCO)C[C@@H](C)O)CC1 ZINC001098572393 736267843 /nfs/dbraw/zinc/26/78/43/736267843.db2.gz FRJVMMZJPLRFIC-NVXWUHKLSA-N 1 3 341.496 0.527 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)C[C@@H](C)O)CC1 ZINC001098572393 736267847 /nfs/dbraw/zinc/26/78/47/736267847.db2.gz FRJVMMZJPLRFIC-NVXWUHKLSA-N 1 3 341.496 0.527 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001022976844 736351398 /nfs/dbraw/zinc/35/13/98/736351398.db2.gz KUXYIFBTJAMACB-MELADBBJSA-N 1 3 349.431 0.727 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001022976844 736351404 /nfs/dbraw/zinc/35/14/04/736351404.db2.gz KUXYIFBTJAMACB-MELADBBJSA-N 1 3 349.431 0.727 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001023128566 736524142 /nfs/dbraw/zinc/52/41/42/736524142.db2.gz KFHOEXLVDRTZEL-XHSDSOJGSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001023130467 736525673 /nfs/dbraw/zinc/52/56/73/736525673.db2.gz PNSBYNWDUFBUTO-IJEWVQPXSA-N 1 3 332.448 0.863 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001067462575 737305034 /nfs/dbraw/zinc/30/50/34/737305034.db2.gz MKTGFIFCPKJUOZ-JKSUJKDBSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001067462575 737305035 /nfs/dbraw/zinc/30/50/35/737305035.db2.gz MKTGFIFCPKJUOZ-JKSUJKDBSA-N 1 3 338.496 0.587 20 0 ECADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001087256688 737407967 /nfs/dbraw/zinc/40/79/67/737407967.db2.gz FXTRYTPHYDJKFI-AWEZNQCLSA-N 1 3 333.436 0.638 20 0 ECADHO COc1nccc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001024263978 737870875 /nfs/dbraw/zinc/87/08/75/737870875.db2.gz LDUJBVAKTSUWQJ-GJZGRUSLSA-N 1 3 347.463 0.765 20 0 ECADHO COc1nccc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024263978 737870878 /nfs/dbraw/zinc/87/08/78/737870878.db2.gz LDUJBVAKTSUWQJ-GJZGRUSLSA-N 1 3 347.463 0.765 20 0 ECADHO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CCN1CCNC1=O ZINC001024365559 737923356 /nfs/dbraw/zinc/92/33/56/737923356.db2.gz CTOKCAJKKXETGC-GJZGRUSLSA-N 1 3 337.468 0.077 20 0 ECADHO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CCN1CCNC1=O ZINC001024365559 737923358 /nfs/dbraw/zinc/92/33/58/737923358.db2.gz CTOKCAJKKXETGC-GJZGRUSLSA-N 1 3 337.468 0.077 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001067535614 738392637 /nfs/dbraw/zinc/39/26/37/738392637.db2.gz ACHYGZYAJQALKK-HZPDHXFCSA-N 1 3 340.512 0.975 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001067535614 738392639 /nfs/dbraw/zinc/39/26/39/738392639.db2.gz ACHYGZYAJQALKK-HZPDHXFCSA-N 1 3 340.512 0.975 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001006457907 751406836 /nfs/dbraw/zinc/40/68/36/751406836.db2.gz PVPFWHGYCPDONI-HUUCEWRRSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000973461693 739332158 /nfs/dbraw/zinc/33/21/58/739332158.db2.gz DJQHDJFVUFTMJK-BZUAXINKSA-N 1 3 348.491 0.863 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000973614852 739587015 /nfs/dbraw/zinc/58/70/15/739587015.db2.gz NKNZKLJHHWEWJP-WPXLMEDKSA-N 1 3 345.447 0.542 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)C1 ZINC000973614852 739587020 /nfs/dbraw/zinc/58/70/20/739587020.db2.gz NKNZKLJHHWEWJP-WPXLMEDKSA-N 1 3 345.447 0.542 20 0 ECADHO C[NH+]1CCC(OCC(=O)N2CCC(N(CCO)CCF)CC2)CC1 ZINC001098516036 751494641 /nfs/dbraw/zinc/49/46/41/751494641.db2.gz OZVBTSSKSYIQGR-UHFFFAOYSA-N 1 3 345.459 0.352 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001025850686 740020865 /nfs/dbraw/zinc/02/08/65/740020865.db2.gz ABXPZAQSVCRLMN-LEOABGAYSA-N 1 3 334.464 0.042 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001025850686 740020868 /nfs/dbraw/zinc/02/08/68/740020868.db2.gz ABXPZAQSVCRLMN-LEOABGAYSA-N 1 3 334.464 0.042 20 0 ECADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001026044170 740328021 /nfs/dbraw/zinc/32/80/21/740328021.db2.gz KSQNHKNBCHZCOA-FEMNKSEZSA-N 1 3 346.479 0.139 20 0 ECADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001026044170 740328026 /nfs/dbraw/zinc/32/80/26/740328026.db2.gz KSQNHKNBCHZCOA-FEMNKSEZSA-N 1 3 346.479 0.139 20 0 ECADHO Cc1cc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001026045309 740331728 /nfs/dbraw/zinc/33/17/28/740331728.db2.gz YJOSJGUNZHFSEV-IDTSGUGQSA-N 1 3 345.491 0.744 20 0 ECADHO Cc1cc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001026045309 740331732 /nfs/dbraw/zinc/33/17/32/740331732.db2.gz YJOSJGUNZHFSEV-IDTSGUGQSA-N 1 3 345.491 0.744 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001026045531 740332957 /nfs/dbraw/zinc/33/29/57/740332957.db2.gz FAZQRBAMICAHBH-XJBGLIRHSA-N 1 3 334.489 0.930 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001026045531 740332960 /nfs/dbraw/zinc/33/29/60/740332960.db2.gz FAZQRBAMICAHBH-XJBGLIRHSA-N 1 3 334.489 0.930 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001026149107 740424413 /nfs/dbraw/zinc/42/44/13/740424413.db2.gz PBRNJUJQMCAZJL-NBFUAULTSA-N 1 3 332.452 0.197 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3cnnn3C)[C@H]2C1)C1CCC1 ZINC001026283900 740743778 /nfs/dbraw/zinc/74/37/78/740743778.db2.gz MYKCHSLYNVLKSA-JQFCIGGWSA-N 1 3 346.479 0.626 20 0 ECADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3cnnn3C)[C@@H]2C1)C1CCC1 ZINC001026283899 740743953 /nfs/dbraw/zinc/74/39/53/740743953.db2.gz MYKCHSLYNVLKSA-IAOVAPTHSA-N 1 3 346.479 0.626 20 0 ECADHO Cn1ncnc1CN[C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001026346174 740975220 /nfs/dbraw/zinc/97/52/20/740975220.db2.gz FDVFTKVDCAFJFW-ARFHVFGLSA-N 1 3 346.479 0.484 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@@H]([NH2+]CCn3cncn3)[C@H]2C1 ZINC001026366218 741069186 /nfs/dbraw/zinc/06/91/86/741069186.db2.gz IBZZUEQZWZQZCX-AEGPPILISA-N 1 3 329.408 0.071 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001105064360 741273496 /nfs/dbraw/zinc/27/34/96/741273496.db2.gz LFABEFYBPJCECV-HUUCEWRRSA-N 1 3 326.485 0.489 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000974410540 741638418 /nfs/dbraw/zinc/63/84/18/741638418.db2.gz UVSLDBREUKJZMY-QXSJWSMHSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000974410540 741638420 /nfs/dbraw/zinc/63/84/20/741638420.db2.gz UVSLDBREUKJZMY-QXSJWSMHSA-N 1 3 336.480 0.576 20 0 ECADHO COc1ncc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)n1 ZINC001026734774 741741379 /nfs/dbraw/zinc/74/13/79/741741379.db2.gz SZUBUNYMCRFYBC-GDBMZVCRSA-N 1 3 347.463 0.826 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326837 741803067 /nfs/dbraw/zinc/80/30/67/741803067.db2.gz IWDORUCLZBKZFR-CJNGLKHVSA-N 1 3 334.468 0.749 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326837 741803073 /nfs/dbraw/zinc/80/30/73/741803073.db2.gz IWDORUCLZBKZFR-CJNGLKHVSA-N 1 3 334.468 0.749 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001026887681 742044219 /nfs/dbraw/zinc/04/42/19/742044219.db2.gz TUEMSHNXOILHMK-WMLDXEAASA-N 1 3 348.495 0.885 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001026922816 742109064 /nfs/dbraw/zinc/10/90/64/742109064.db2.gz SBHPKYOLJFQDGL-HOCLYGCPSA-N 1 3 347.463 0.908 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001026922817 742109117 /nfs/dbraw/zinc/10/91/17/742109117.db2.gz SBHPKYOLJFQDGL-ZBFHGGJFSA-N 1 3 347.463 0.908 20 0 ECADHO Cn1cc(CNC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001026938872 742132030 /nfs/dbraw/zinc/13/20/30/742132030.db2.gz QKHSEIQEZLDSID-CQSZACIVSA-N 1 3 332.452 0.382 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001027064979 742435172 /nfs/dbraw/zinc/43/51/72/742435172.db2.gz NZGSSQDLQCZTBB-RDJZCZTQSA-N 1 3 346.475 0.665 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000975402084 742807619 /nfs/dbraw/zinc/80/76/19/742807619.db2.gz KYCLNYHYVOGDOX-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO CC(C)N1CC[C@H](N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028930962 742893522 /nfs/dbraw/zinc/89/35/22/742893522.db2.gz HTBFJXKDTAKQIB-CVEARBPZSA-N 1 3 348.491 0.530 20 0 ECADHO O=C(NC[C@H]1CCN(CCO[C@H]2CC2(F)F)C1)C12CC[NH+](CC1)C2 ZINC001028931666 742896078 /nfs/dbraw/zinc/89/60/78/742896078.db2.gz VGUHQWVHTHZXAT-KGLIPLIRSA-N 1 3 343.418 0.945 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000996999257 743110668 /nfs/dbraw/zinc/11/06/68/743110668.db2.gz NALKERBPFLRJTH-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001027234842 743249036 /nfs/dbraw/zinc/24/90/36/743249036.db2.gz GJEWZOCXZPRZTN-GOEBONIOSA-N 1 3 334.468 0.628 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001027234842 743249039 /nfs/dbraw/zinc/24/90/39/743249039.db2.gz GJEWZOCXZPRZTN-GOEBONIOSA-N 1 3 334.468 0.628 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997186194 743328925 /nfs/dbraw/zinc/32/89/25/743328925.db2.gz KANDFUQYPUZWQC-UHFFFAOYSA-N 1 3 330.392 0.925 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000997238670 743392037 /nfs/dbraw/zinc/39/20/37/743392037.db2.gz PADWPIPGFTWIJN-DZGCQCFKSA-N 1 3 345.447 0.462 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000997238670 743392047 /nfs/dbraw/zinc/39/20/47/743392047.db2.gz PADWPIPGFTWIJN-DZGCQCFKSA-N 1 3 345.447 0.462 20 0 ECADHO Cn1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cc1=O ZINC000997306625 743469271 /nfs/dbraw/zinc/46/92/71/743469271.db2.gz GTDKFGZBVIDWOR-UHFFFAOYSA-N 1 3 332.448 0.562 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000997366864 743538832 /nfs/dbraw/zinc/53/88/32/743538832.db2.gz OBJNEKLXUNRGAV-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)(C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCCC1 ZINC000997387113 743560788 /nfs/dbraw/zinc/56/07/88/743560788.db2.gz MRBPZCNFQQGTEG-INIZCTEOSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001020584970 751838651 /nfs/dbraw/zinc/83/86/51/751838651.db2.gz ABRDNUYHHIFKSJ-FVQBIDKESA-N 1 3 332.448 0.606 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H]1C)N(C)C ZINC001020592146 751861904 /nfs/dbraw/zinc/86/19/04/751861904.db2.gz MDBZBTAIIXZSTN-FZKCQIBNSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H]1C)N(C)C ZINC001020592146 751861915 /nfs/dbraw/zinc/86/19/15/751861915.db2.gz MDBZBTAIIXZSTN-FZKCQIBNSA-N 1 3 338.496 0.774 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000998052001 743949500 /nfs/dbraw/zinc/94/95/00/743949500.db2.gz MCVKSRYEUPWUOK-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000998052001 743949501 /nfs/dbraw/zinc/94/95/01/743949501.db2.gz MCVKSRYEUPWUOK-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1ccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1=O ZINC000998114472 743984951 /nfs/dbraw/zinc/98/49/51/743984951.db2.gz IHBZMDMHBPEUDG-UHFFFAOYSA-N 1 3 343.431 0.679 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000998179110 744033040 /nfs/dbraw/zinc/03/30/40/744033040.db2.gz SKUHDCCVHVZHHX-KKUMJFAQSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000998179110 744033044 /nfs/dbraw/zinc/03/30/44/744033044.db2.gz SKUHDCCVHVZHHX-KKUMJFAQSA-N 1 3 336.480 0.386 20 0 ECADHO CC1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000976535981 744062696 /nfs/dbraw/zinc/06/26/96/744062696.db2.gz HZAKHEYBADTZGY-CBZIJGRNSA-N 1 3 348.491 0.243 20 0 ECADHO CC1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000976535981 744062701 /nfs/dbraw/zinc/06/27/01/744062701.db2.gz HZAKHEYBADTZGY-CBZIJGRNSA-N 1 3 348.491 0.243 20 0 ECADHO O=C(N1CC[C@H](C(F)(F)F)[C@H](NCCO)C1)C12CC[NH+](CC1)C2 ZINC000998306567 744110829 /nfs/dbraw/zinc/11/08/29/744110829.db2.gz VCYTYSAETIXZEP-NWDGAFQWSA-N 1 3 335.370 0.444 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000976596774 744122241 /nfs/dbraw/zinc/12/22/41/744122241.db2.gz VWGKNUQXPGZOAI-FWXGHANASA-N 1 3 336.480 0.240 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000976596774 744122243 /nfs/dbraw/zinc/12/22/43/744122243.db2.gz VWGKNUQXPGZOAI-FWXGHANASA-N 1 3 336.480 0.240 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)CC[N@@H+]1C ZINC000976601120 744126011 /nfs/dbraw/zinc/12/60/11/744126011.db2.gz JLJGNYORGCVMRN-SUJAAXHWSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)CC[N@H+]1C ZINC000976601120 744126016 /nfs/dbraw/zinc/12/60/16/744126016.db2.gz JLJGNYORGCVMRN-SUJAAXHWSA-N 1 3 348.491 0.384 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000998554685 744225101 /nfs/dbraw/zinc/22/51/01/744225101.db2.gz ZTTGWTFZZFLFJQ-JCYILVPMSA-N 1 3 344.459 0.959 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC000998718152 744296564 /nfs/dbraw/zinc/29/65/64/744296564.db2.gz BWTIMSWPIZWYKL-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC000999366690 744657413 /nfs/dbraw/zinc/65/74/13/744657413.db2.gz ZBSSUAJBRIYPER-INIZCTEOSA-N 1 3 348.495 0.960 20 0 ECADHO CCn1nncc1CN[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999373662 744663827 /nfs/dbraw/zinc/66/38/27/744663827.db2.gz QWVTZYRFKPBTEC-GOEBONIOSA-N 1 3 334.468 0.719 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999373655 744664098 /nfs/dbraw/zinc/66/40/98/744664098.db2.gz QWVTZYRFKPBTEC-GDBMZVCRSA-N 1 3 334.468 0.719 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]21 ZINC000977198068 744773155 /nfs/dbraw/zinc/77/31/55/744773155.db2.gz XTKTXPVKOXSOMA-RMWBKXBUSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21 ZINC000977198068 744773158 /nfs/dbraw/zinc/77/31/58/744773158.db2.gz XTKTXPVKOXSOMA-RMWBKXBUSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000977202950 744782546 /nfs/dbraw/zinc/78/25/46/744782546.db2.gz MLQTVQFMIOWTQA-GHVFGFPKSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000977202950 744782547 /nfs/dbraw/zinc/78/25/47/744782547.db2.gz MLQTVQFMIOWTQA-GHVFGFPKSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@H](C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1)[NH+]1CCCCCC1 ZINC001020673092 751957188 /nfs/dbraw/zinc/95/71/88/751957188.db2.gz HIMZHNWGJDVLET-RBSFLKMASA-N 1 3 334.468 0.816 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999849246 744942469 /nfs/dbraw/zinc/94/24/69/744942469.db2.gz RFSOHTURSMVXOD-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999849246 744942472 /nfs/dbraw/zinc/94/24/72/744942472.db2.gz RFSOHTURSMVXOD-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020676007 751959771 /nfs/dbraw/zinc/95/97/71/751959771.db2.gz NKVUIEWRBSELEM-VGWMRTNUSA-N 1 3 336.480 0.765 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCC(C)CC2)C1 ZINC000999885352 745002736 /nfs/dbraw/zinc/00/27/36/745002736.db2.gz NVFYRRWWVVAXLO-HOCLYGCPSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCC(C)CC2)C1 ZINC000999885352 745002740 /nfs/dbraw/zinc/00/27/40/745002740.db2.gz NVFYRRWWVVAXLO-HOCLYGCPSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001029136191 745155215 /nfs/dbraw/zinc/15/52/15/745155215.db2.gz BBXTXTLWFHOHQH-AWEZNQCLSA-N 1 3 348.495 0.874 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536009 745304519 /nfs/dbraw/zinc/30/45/19/745304519.db2.gz LXFGFTLUXIJENW-KSSFIOAISA-N 1 3 347.463 0.649 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001000181861 745318029 /nfs/dbraw/zinc/31/80/29/745318029.db2.gz ALNYFSRDCKSOEE-WBVHZDCISA-N 1 3 346.475 0.950 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001000189954 745326513 /nfs/dbraw/zinc/32/65/13/745326513.db2.gz FJFNHTZFDNDBKU-HUUCEWRRSA-N 1 3 337.468 0.077 20 0 ECADHO Cn1cc(CCN2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001028266221 752004062 /nfs/dbraw/zinc/00/40/62/752004062.db2.gz RNYRSIIEPCDNPF-MRXNPFEDSA-N 1 3 331.464 0.639 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001000314483 745422571 /nfs/dbraw/zinc/42/25/71/745422571.db2.gz XUYCDCAWLAWRLF-KBPBESRZSA-N 1 3 333.436 0.449 20 0 ECADHO Cn1cc(CN[C@@H]2CCCN(C(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC001000575401 745610529 /nfs/dbraw/zinc/61/05/29/745610529.db2.gz WKNYRWZTFBNQSG-MRXNPFEDSA-N 1 3 349.479 0.612 20 0 ECADHO CC(C)c1nc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000916325 745895696 /nfs/dbraw/zinc/89/56/96/745895696.db2.gz GRBJLWZSNYRKGP-UONOGXRCSA-N 1 3 334.468 0.960 20 0 ECADHO CC(C)c1nc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000916325 745895699 /nfs/dbraw/zinc/89/56/99/745895699.db2.gz GRBJLWZSNYRKGP-UONOGXRCSA-N 1 3 334.468 0.960 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978324319 746180041 /nfs/dbraw/zinc/18/00/41/746180041.db2.gz WSXBARFXUSIXAB-LVQVYYBASA-N 1 3 348.491 0.420 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001001884119 746783997 /nfs/dbraw/zinc/78/39/97/746783997.db2.gz BECPNGRYYNIRCY-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001001884119 746784001 /nfs/dbraw/zinc/78/40/01/746784001.db2.gz BECPNGRYYNIRCY-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO C[N@H+](CCN1CCNC1=O)[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001027682749 746786993 /nfs/dbraw/zinc/78/69/93/746786993.db2.gz WYYSAWWXTOIBHJ-OAHLLOKOSA-N 1 3 337.468 0.030 20 0 ECADHO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001027682749 746786995 /nfs/dbraw/zinc/78/69/95/746786995.db2.gz WYYSAWWXTOIBHJ-OAHLLOKOSA-N 1 3 337.468 0.030 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001001903434 746795797 /nfs/dbraw/zinc/79/57/97/746795797.db2.gz BGZIXHGRCXEOKO-IAGOWNOFSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001001903434 746795800 /nfs/dbraw/zinc/79/58/00/746795800.db2.gz BGZIXHGRCXEOKO-IAGOWNOFSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@H+](CCN1CCCC1=O)[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001027681693 746799979 /nfs/dbraw/zinc/79/99/79/746799979.db2.gz ATZOBRROMOGPAC-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO C[N@@H+](CCN1CCCC1=O)[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001027681693 746799984 /nfs/dbraw/zinc/79/99/84/746799984.db2.gz ATZOBRROMOGPAC-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO CCc1nocc1CNCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043284 746889105 /nfs/dbraw/zinc/88/91/05/746889105.db2.gz HWJYXORAVSXGPQ-UHFFFAOYSA-N 1 3 348.451 0.905 20 0 ECADHO O=C(NC[C@@H]1[C@H]2CN(Cc3ccccn3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978957632 746954336 /nfs/dbraw/zinc/95/43/36/746954336.db2.gz HUXMIDRXXRLTJV-OSYLJGHBSA-N 1 3 326.444 0.971 20 0 ECADHO CN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC000984804124 746960529 /nfs/dbraw/zinc/96/05/29/746960529.db2.gz LABASEFSBHNURS-KKUMJFAQSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCc4ncnn43)C2)C1 ZINC000984806501 746962122 /nfs/dbraw/zinc/96/21/22/746962122.db2.gz YIBDNMPOIFFGEQ-FPCVCCKLSA-N 1 3 346.479 0.592 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1C ZINC000984807201 746963355 /nfs/dbraw/zinc/96/33/55/746963355.db2.gz GSTLMPJLHJJNGQ-MMTVNHQJSA-N 1 3 333.480 0.911 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1C ZINC000984807201 746963356 /nfs/dbraw/zinc/96/33/56/746963356.db2.gz GSTLMPJLHJJNGQ-MMTVNHQJSA-N 1 3 333.480 0.911 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC001002254730 747130172 /nfs/dbraw/zinc/13/01/72/747130172.db2.gz YHFXAGLKYGBGDT-XHSDSOJGSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC001002254730 747130177 /nfs/dbraw/zinc/13/01/77/747130177.db2.gz YHFXAGLKYGBGDT-XHSDSOJGSA-N 1 3 336.480 0.386 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001002449185 747359231 /nfs/dbraw/zinc/35/92/31/747359231.db2.gz FAVYQNZEHUMAPE-INIZCTEOSA-N 1 3 348.491 0.531 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCN2CCCC2=O)CC1 ZINC000985332304 747717141 /nfs/dbraw/zinc/71/71/41/747717141.db2.gz LSYWIYXGPRAJOU-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCN2CCCC2=O)CC1 ZINC000985332304 747717143 /nfs/dbraw/zinc/71/71/43/747717143.db2.gz LSYWIYXGPRAJOU-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO Cn1nccc1CCN1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002833931 747854501 /nfs/dbraw/zinc/85/45/01/747854501.db2.gz QYEVZAVCYIPEQL-GOSISDBHSA-N 1 3 345.491 0.885 20 0 ECADHO COC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003331507 748434774 /nfs/dbraw/zinc/43/47/74/748434774.db2.gz GTLBBSIBTXZGAX-QBPRILJRSA-N 1 3 337.464 0.465 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCc3ccnn3C)CC2)C1 ZINC001003625492 748738722 /nfs/dbraw/zinc/73/87/22/748738722.db2.gz HDIJBZSTOFMOEF-HNNXBMFYSA-N 1 3 333.480 0.885 20 0 ECADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001088334392 748789485 /nfs/dbraw/zinc/78/94/85/748789485.db2.gz HCNDKAUHRWTXKS-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001088340941 748813071 /nfs/dbraw/zinc/81/30/71/748813071.db2.gz SLGSDUHLDSIWJG-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001088340941 748813076 /nfs/dbraw/zinc/81/30/76/748813076.db2.gz SLGSDUHLDSIWJG-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO Cn1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC001029852232 748830462 /nfs/dbraw/zinc/83/04/62/748830462.db2.gz AVDCBYIFLUFRPD-HNNXBMFYSA-N 1 3 343.431 0.631 20 0 ECADHO Cn1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC001029852232 748830467 /nfs/dbraw/zinc/83/04/67/748830467.db2.gz AVDCBYIFLUFRPD-HNNXBMFYSA-N 1 3 343.431 0.631 20 0 ECADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985751091 749011448 /nfs/dbraw/zinc/01/14/48/749011448.db2.gz KNTBIPIIRGNYRV-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985751091 749011455 /nfs/dbraw/zinc/01/14/55/749011455.db2.gz KNTBIPIIRGNYRV-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001003968113 749091633 /nfs/dbraw/zinc/09/16/33/749091633.db2.gz QZFORDJIEISNFB-DOTOQJQBSA-N 1 3 348.495 0.979 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003975696 749098484 /nfs/dbraw/zinc/09/84/84/749098484.db2.gz NSLWQEIVZMBLRP-INIZCTEOSA-N 1 3 348.495 0.817 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003975696 749098486 /nfs/dbraw/zinc/09/84/86/749098486.db2.gz NSLWQEIVZMBLRP-INIZCTEOSA-N 1 3 348.495 0.817 20 0 ECADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C[C@H]1CCc2ncnn21 ZINC001029904558 749534825 /nfs/dbraw/zinc/53/48/25/749534825.db2.gz YDUTWIXCEHEQBW-JKSUJKDBSA-N 1 3 346.479 0.642 20 0 ECADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C[C@H]1CCc2ncnn21 ZINC001029904558 749534827 /nfs/dbraw/zinc/53/48/27/749534827.db2.gz YDUTWIXCEHEQBW-JKSUJKDBSA-N 1 3 346.479 0.642 20 0 ECADHO CN1CCC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029905102 749538151 /nfs/dbraw/zinc/53/81/51/749538151.db2.gz HSHGANFLMDDPAX-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029905102 749538155 /nfs/dbraw/zinc/53/81/55/749538155.db2.gz HSHGANFLMDDPAX-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCOCCOC)CC1 ZINC001167814749 749845325 /nfs/dbraw/zinc/84/53/25/749845325.db2.gz COTKHYZRFULDML-UHFFFAOYSA-N 1 3 329.485 0.867 20 0 ECADHO C[C@H]1C[C@@H](CNCc2cn(C)nn2)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000980700942 749984423 /nfs/dbraw/zinc/98/44/23/749984423.db2.gz VWHGDZQCQGLLNS-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[C@@H](CNCc2cn(C)nn2)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000980700942 749984428 /nfs/dbraw/zinc/98/44/28/749984428.db2.gz VWHGDZQCQGLLNS-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001004995038 750116872 /nfs/dbraw/zinc/11/68/72/750116872.db2.gz YSPUNEKBBJWYCN-CZUORRHYSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@H]1C[C@@H](CNCc2cn(C)nn2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766622 750118969 /nfs/dbraw/zinc/11/89/69/750118969.db2.gz DWAGUPXJECXCEP-KBPBESRZSA-N 1 3 332.452 0.238 20 0 ECADHO COCC[NH+]1CCC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005740739 750577778 /nfs/dbraw/zinc/57/77/78/750577778.db2.gz ILGUXBSADUKIEG-BFHRDPOASA-N 1 3 337.464 0.419 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC000981488193 750740088 /nfs/dbraw/zinc/74/00/88/750740088.db2.gz UZMNXTZGMONMRE-KBPBESRZSA-N 1 3 331.424 0.569 20 0 ECADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C)cn1 ZINC000987361254 750755108 /nfs/dbraw/zinc/75/51/08/750755108.db2.gz ZCIFUOUDVMZHSP-CZUORRHYSA-N 1 3 329.448 0.960 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000981646629 750929705 /nfs/dbraw/zinc/92/97/05/750929705.db2.gz PHQKHMMHNUSTQW-XNGIKWSVSA-N 1 3 349.475 0.420 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000981646629 750929712 /nfs/dbraw/zinc/92/97/12/750929712.db2.gz PHQKHMMHNUSTQW-XNGIKWSVSA-N 1 3 349.475 0.420 20 0 ECADHO Cn1cc(CCN2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001028117586 750997309 /nfs/dbraw/zinc/99/73/09/750997309.db2.gz RCTYEHVNWOYHQK-QGZVFWFLSA-N 1 3 333.480 0.885 20 0 ECADHO C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)CN2CCCC2)C1 ZINC001006135544 751060359 /nfs/dbraw/zinc/06/03/59/751060359.db2.gz CRPSDHDSMLJWEE-WMLDXEAASA-N 1 3 348.491 0.387 20 0 ECADHO CC[C@H](C(=O)N1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001006342906 751267024 /nfs/dbraw/zinc/26/70/24/751267024.db2.gz HVVIJXVBIZSPCE-XJKSGUPXSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN1CCCC1 ZINC000989060170 753197855 /nfs/dbraw/zinc/19/78/55/753197855.db2.gz AZZXMBBZHIMUMI-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)N(C)CC(=O)N1CCOC2(CCC([NH2+]C[C@H](C)O)CC2)C1 ZINC001105487272 753724883 /nfs/dbraw/zinc/72/48/83/753724883.db2.gz YWFNTGMROTYUHM-HJOIGYKYSA-N 1 3 341.496 0.837 20 0 ECADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(N)=O)CCC1 ZINC001105579023 753859204 /nfs/dbraw/zinc/85/92/04/753859204.db2.gz JPQVYUAZMYXCEP-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCN(C[C@@H]3CCc4ncnn43)CC2)C1 ZINC000989481135 754016276 /nfs/dbraw/zinc/01/62/76/754016276.db2.gz PXXABCPUPOXEDI-CVEARBPZSA-N 1 3 346.479 0.642 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCCN(C[C@@H]3CCc4ncnn43)CC2)C1 ZINC000989481135 754016280 /nfs/dbraw/zinc/01/62/80/754016280.db2.gz PXXABCPUPOXEDI-CVEARBPZSA-N 1 3 346.479 0.642 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC000982879248 754066332 /nfs/dbraw/zinc/06/63/32/754066332.db2.gz KWUBKCYBVLXXKB-ZBFHGGJFSA-N 1 3 348.491 0.387 20 0 ECADHO O=C(NC[C@@H]1CCN([C@H]2CCCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001028659880 754386844 /nfs/dbraw/zinc/38/68/44/754386844.db2.gz ZGZYHASGTKHYIP-GJZGRUSLSA-N 1 3 334.464 0.332 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)CN1C(=O)CN1CCCC1 ZINC000989799041 754460382 /nfs/dbraw/zinc/46/03/82/754460382.db2.gz IYAIKYVXCYKAKA-RHSMWYFYSA-N 1 3 344.459 0.960 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001009201928 754645861 /nfs/dbraw/zinc/64/58/61/754645861.db2.gz VEQKVDODVMZNIO-NXOAAHMSSA-N 1 3 348.491 0.243 20 0 ECADHO COc1cncc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000990276343 754931848 /nfs/dbraw/zinc/93/18/48/754931848.db2.gz HPJCFKYUKYHVEQ-OAHLLOKOSA-N 1 3 333.436 0.660 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(CC2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000925331468 755023539 /nfs/dbraw/zinc/02/35/39/755023539.db2.gz FLJJAIVHEHCPBQ-HNNXBMFYSA-N 1 3 338.452 0.359 20 0 ECADHO c1cc(-c2noc([C@H]3CCN([C@H]4CC[NH2+]C4)C3)n2)nc2c1CNCC2 ZINC001212119270 755163292 /nfs/dbraw/zinc/16/32/92/755163292.db2.gz RXTYYCTZAQKGSR-KBPBESRZSA-N 1 3 340.431 0.929 20 0 ECADHO CC(C)[C@H]1N(C(=O)CC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001105660818 755279455 /nfs/dbraw/zinc/27/94/55/755279455.db2.gz YXJMMGJYMSAVBZ-MUIFIZLQSA-N 1 3 329.460 0.874 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000983366100 755413287 /nfs/dbraw/zinc/41/32/87/755413287.db2.gz VZKOFVCTSCJAPG-CYBMUJFWSA-N 1 3 333.436 0.259 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@]23CCC[C@@H]2N(CCO)CC3)n1 ZINC000990739639 755806653 /nfs/dbraw/zinc/80/66/53/755806653.db2.gz JJJYNUXILGWSRV-RDJZCZTQSA-N 1 3 335.452 0.164 20 0 ECADHO CCN1CC[C@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001142613316 755835539 /nfs/dbraw/zinc/83/55/39/755835539.db2.gz QYEXENBFXNBSNG-KRWDZBQOSA-N 1 3 331.464 0.804 20 0 ECADHO Cc1cc(C)n(CCN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076567680 756667089 /nfs/dbraw/zinc/66/70/89/756667089.db2.gz FBTAGDOTANAKGU-RCCFBDPRSA-N 1 3 345.491 0.984 20 0 ECADHO Cc1cc(C)n(CCN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076567680 756667091 /nfs/dbraw/zinc/66/70/91/756667091.db2.gz FBTAGDOTANAKGU-RCCFBDPRSA-N 1 3 345.491 0.984 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001076747209 756955476 /nfs/dbraw/zinc/95/54/76/756955476.db2.gz OCLFNPNPAMHMIH-GBJTYRQASA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001076747209 756955477 /nfs/dbraw/zinc/95/54/77/756955477.db2.gz OCLFNPNPAMHMIH-GBJTYRQASA-N 1 3 326.485 0.678 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1)C1CCC1 ZINC001048865191 757223113 /nfs/dbraw/zinc/22/31/13/757223113.db2.gz ZAHFSTAZPZSZLJ-UXLLHSPISA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1)C1CCC1 ZINC001048865191 757223120 /nfs/dbraw/zinc/22/31/20/757223120.db2.gz ZAHFSTAZPZSZLJ-UXLLHSPISA-N 1 3 348.491 0.482 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2C1)N(C)C ZINC001048888543 757305286 /nfs/dbraw/zinc/30/52/86/757305286.db2.gz QUKWDKMNUDGBEQ-QXSJWSMHSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2C1)N(C)C ZINC001048888543 757305294 /nfs/dbraw/zinc/30/52/94/757305294.db2.gz QUKWDKMNUDGBEQ-QXSJWSMHSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1)N(C)C ZINC001011256154 757305395 /nfs/dbraw/zinc/30/53/95/757305395.db2.gz CXHABEVCLUCHKX-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1)N(C)C ZINC001011256154 757305404 /nfs/dbraw/zinc/30/54/04/757305404.db2.gz CXHABEVCLUCHKX-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)[NH+](C)C ZINC001011263806 757328999 /nfs/dbraw/zinc/32/89/99/757328999.db2.gz MLKSUSBZHJLMEN-JKSUJKDBSA-N 1 3 338.496 0.584 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C1CC1 ZINC001011263702 757329445 /nfs/dbraw/zinc/32/94/45/757329445.db2.gz FTEMUMMGUQFGBD-MRXNPFEDSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1)C1CC1 ZINC000996312940 757344601 /nfs/dbraw/zinc/34/46/01/757344601.db2.gz ACYYMHTUNVRILG-IAGOWNOFSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282566 757403286 /nfs/dbraw/zinc/40/32/86/757403286.db2.gz XKTNTMKGNKOYHA-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282566 757403292 /nfs/dbraw/zinc/40/32/92/757403292.db2.gz XKTNTMKGNKOYHA-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC000996353507 757453107 /nfs/dbraw/zinc/45/31/07/757453107.db2.gz AHNXHQTXCUXIIC-ZFWWWQNUSA-N 1 3 347.463 0.695 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1)N(C)C ZINC001011328945 757530693 /nfs/dbraw/zinc/53/06/93/757530693.db2.gz FJFNJZMZEOSSKF-MRXNPFEDSA-N 1 3 338.496 0.585 20 0 ECADHO CN(C(=O)CN1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1)C1CC1 ZINC001049024828 757727615 /nfs/dbraw/zinc/72/76/15/757727615.db2.gz DTZBZXWDSOCRGI-IYBDPMFKSA-N 1 3 348.491 0.339 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H](C1CC1)N(C)C)[NH+](C)C ZINC001076957786 757750387 /nfs/dbraw/zinc/75/03/87/757750387.db2.gz LMGDIBLTQIPZRI-CWRNSKLLSA-N 1 3 340.512 0.924 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996475662 757756386 /nfs/dbraw/zinc/75/63/86/757756386.db2.gz RMNUYGUBBMTHCA-HNNXBMFYSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCN1C)[NH+](C)C ZINC001076970993 757781951 /nfs/dbraw/zinc/78/19/51/757781951.db2.gz KOSSADZGZCGIQT-KKUMJFAQSA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001076971297 757782516 /nfs/dbraw/zinc/78/25/16/757782516.db2.gz YHILOTVDRUTTSY-KKUMJFAQSA-N 1 3 328.501 0.924 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2C1 ZINC001049056845 757802160 /nfs/dbraw/zinc/80/21/60/757802160.db2.gz BLYRSAISSAYQCL-YESZJQIVSA-N 1 3 345.491 0.837 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2C1 ZINC001049056845 757802176 /nfs/dbraw/zinc/80/21/76/757802176.db2.gz BLYRSAISSAYQCL-YESZJQIVSA-N 1 3 345.491 0.837 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@H]3C2)C1=O ZINC001049056993 757804870 /nfs/dbraw/zinc/80/48/70/757804870.db2.gz HDMHUOQVCGBERX-NXOAAHMSSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@H]3C2)C1=O ZINC001049056993 757804886 /nfs/dbraw/zinc/80/48/86/757804886.db2.gz HDMHUOQVCGBERX-NXOAAHMSSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@H]3C2)C1=O ZINC001049056991 757807162 /nfs/dbraw/zinc/80/71/62/757807162.db2.gz HDMHUOQVCGBERX-MWDXBVQZSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@H]3C2)C1=O ZINC001049056991 757807169 /nfs/dbraw/zinc/80/71/69/757807169.db2.gz HDMHUOQVCGBERX-MWDXBVQZSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@H]2C1 ZINC001049059272 757824059 /nfs/dbraw/zinc/82/40/59/757824059.db2.gz PGMNKUCMCLAJRP-OIPACUDHSA-N 1 3 341.471 0.970 20 0 ECADHO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@H]2C1 ZINC001049059272 757824066 /nfs/dbraw/zinc/82/40/66/757824066.db2.gz PGMNKUCMCLAJRP-OIPACUDHSA-N 1 3 341.471 0.970 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@H]2C1)N(C)C ZINC001049065939 757857970 /nfs/dbraw/zinc/85/79/70/757857970.db2.gz ZYVLHKLMLJFWOO-BBWFWOEESA-N 1 3 348.495 0.625 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@@H]2C1)N(C)C ZINC001049065939 757857980 /nfs/dbraw/zinc/85/79/80/757857980.db2.gz ZYVLHKLMLJFWOO-BBWFWOEESA-N 1 3 348.495 0.625 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001049082953 757912991 /nfs/dbraw/zinc/91/29/91/757912991.db2.gz NNUVNQDLLDANTF-VNHYZAJKSA-N 1 3 341.419 0.121 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001049082953 757912998 /nfs/dbraw/zinc/91/29/98/757912998.db2.gz NNUVNQDLLDANTF-VNHYZAJKSA-N 1 3 341.419 0.121 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CCO[C@H](CNCc2ccccn2)C1)C1CC1 ZINC001051654513 762602340 /nfs/dbraw/zinc/60/23/40/762602340.db2.gz OPKFBDXQAKCXBZ-SJORKVTESA-N 1 3 332.448 0.739 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049171253 758211158 /nfs/dbraw/zinc/21/11/58/758211158.db2.gz NGWLLNTYFBPYSR-NXHRZFHOSA-N 1 3 345.491 0.961 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049171253 758211166 /nfs/dbraw/zinc/21/11/66/758211166.db2.gz NGWLLNTYFBPYSR-NXHRZFHOSA-N 1 3 345.491 0.961 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049173823 758219595 /nfs/dbraw/zinc/21/95/95/758219595.db2.gz IQIXNPIRSYIEHQ-FPCVCCKLSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049173823 758219599 /nfs/dbraw/zinc/21/95/99/758219599.db2.gz IQIXNPIRSYIEHQ-FPCVCCKLSA-N 1 3 348.491 0.386 20 0 ECADHO Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000996620474 758261303 /nfs/dbraw/zinc/26/13/03/758261303.db2.gz ONENRBYHWJCJBZ-IRXDYDNUSA-N 1 3 347.463 0.364 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1)N(C)C ZINC001011670386 758262274 /nfs/dbraw/zinc/26/22/74/758262274.db2.gz DUIJRWANPQANRJ-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@H]2C1 ZINC001049231662 758392121 /nfs/dbraw/zinc/39/21/21/758392121.db2.gz IJDUAXBBEYNADW-YHUYYLMFSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001049234718 758402237 /nfs/dbraw/zinc/40/22/37/758402237.db2.gz HHGMJKXPQUOYKY-XHSDSOJGSA-N 1 3 336.480 0.517 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1)C1CC1 ZINC000996678239 758450041 /nfs/dbraw/zinc/45/00/41/758450041.db2.gz LSYHPVJAPLGAPV-QGZVFWFLSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022370712 758636164 /nfs/dbraw/zinc/63/61/64/758636164.db2.gz UUMBPEXPQRDBHM-BETUJISGSA-N 1 3 325.376 0.513 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671242 762654765 /nfs/dbraw/zinc/65/47/65/762654765.db2.gz FNWATQKLDGJJDX-KGLIPLIRSA-N 1 3 335.452 0.647 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671242 762654770 /nfs/dbraw/zinc/65/47/70/762654770.db2.gz FNWATQKLDGJJDX-KGLIPLIRSA-N 1 3 335.452 0.647 20 0 ECADHO Cn1cncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001022451487 758742042 /nfs/dbraw/zinc/74/20/42/758742042.db2.gz BAOPEMKLZNSOOZ-BRYNBVAQSA-N 1 3 345.447 0.020 20 0 ECADHO CN(CC(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001060322098 762662217 /nfs/dbraw/zinc/66/22/17/762662217.db2.gz SUYNUYCEBZHPHF-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)n1 ZINC001022712657 759025729 /nfs/dbraw/zinc/02/57/29/759025729.db2.gz WRIHCGQDTYQHNP-VBNZEHGJSA-N 1 3 334.468 0.616 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001022713638 759028509 /nfs/dbraw/zinc/02/85/09/759028509.db2.gz LHPSSMXENVAMNL-IPJQOSJUSA-N 1 3 340.443 0.324 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)C1 ZINC001022716735 759030930 /nfs/dbraw/zinc/03/09/30/759030930.db2.gz GYOYZPUXCXEZLE-FPCVCCKLSA-N 1 3 336.480 0.481 20 0 ECADHO O=C(N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601648 759242896 /nfs/dbraw/zinc/24/28/96/759242896.db2.gz GGTFLKSMQNRFJU-XHSDSOJGSA-N 1 3 337.464 0.203 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]3[C@@H]2CCN3CCn2cncn2)C1 ZINC001049841352 759283166 /nfs/dbraw/zinc/28/31/66/759283166.db2.gz RTQKORAIGUGCDA-ZACQAIPSSA-N 1 3 346.479 0.685 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]3[C@@H]2CCN3CCn2cncn2)C1 ZINC001049841352 759283172 /nfs/dbraw/zinc/28/31/72/759283172.db2.gz RTQKORAIGUGCDA-ZACQAIPSSA-N 1 3 346.479 0.685 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCN2CCNC2=O)C1 ZINC001049895237 759370083 /nfs/dbraw/zinc/37/00/83/759370083.db2.gz IWTIQNVZOBMXNL-JYJNAYRXSA-N 1 3 349.479 0.029 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCN2CCNC2=O)C1 ZINC001049895237 759370095 /nfs/dbraw/zinc/37/00/95/759370095.db2.gz IWTIQNVZOBMXNL-JYJNAYRXSA-N 1 3 349.479 0.029 20 0 ECADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040765 759496772 /nfs/dbraw/zinc/49/67/72/759496772.db2.gz MJZKRURSBRVMHW-HZPDHXFCSA-N 1 3 329.485 0.674 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1 ZINC001107040904 759497870 /nfs/dbraw/zinc/49/78/70/759497870.db2.gz SIBPRTVGVDZORV-HZPDHXFCSA-N 1 3 335.496 0.987 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1 ZINC001107039741 759511584 /nfs/dbraw/zinc/51/15/84/759511584.db2.gz WONHAUWKWZDWFC-HUUCEWRRSA-N 1 3 340.512 0.925 20 0 ECADHO CCn1cc(CN[C@@H](C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001047953080 759741630 /nfs/dbraw/zinc/74/16/30/759741630.db2.gz BGBGQCNFGYYKEH-GOEBONIOSA-N 1 3 348.495 0.966 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001050183932 759894757 /nfs/dbraw/zinc/89/47/57/759894757.db2.gz XIWBRYJNHMFJMA-IXDOHACOSA-N 1 3 346.479 0.543 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001050183932 759894769 /nfs/dbraw/zinc/89/47/69/759894769.db2.gz XIWBRYJNHMFJMA-IXDOHACOSA-N 1 3 346.479 0.543 20 0 ECADHO CN(CC(=O)N1CC[C@@H](CC[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001050222270 759968714 /nfs/dbraw/zinc/96/87/14/759968714.db2.gz KVUYRZSKEUTFQX-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050236595 760021283 /nfs/dbraw/zinc/02/12/83/760021283.db2.gz RHMKPZQGKBTAIE-ZBFHGGJFSA-N 1 3 347.463 0.790 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001048281722 760213868 /nfs/dbraw/zinc/21/38/68/760213868.db2.gz URNGWYTZUATJDQ-LSDHHAIUSA-N 1 3 348.495 0.966 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001050388105 760216725 /nfs/dbraw/zinc/21/67/25/760216725.db2.gz HEISRSZJIOFONT-MGPQQGTHSA-N 1 3 333.436 0.414 20 0 ECADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503927 760346385 /nfs/dbraw/zinc/34/63/85/760346385.db2.gz DXFYOQCDYJOLFP-UHFFFAOYSA-N 1 3 336.411 0.323 20 0 ECADHO CCn1cc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)nn1 ZINC001048441217 760536600 /nfs/dbraw/zinc/53/66/00/760536600.db2.gz OLAWXSWXKXWYQG-LSDHHAIUSA-N 1 3 346.479 0.578 20 0 ECADHO COc1cc(CNC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)on1 ZINC001048441903 760537712 /nfs/dbraw/zinc/53/77/12/760537712.db2.gz SYQONLJLEQUTEP-KGLIPLIRSA-N 1 3 348.447 0.963 20 0 ECADHO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2C)on1 ZINC001048477891 760590730 /nfs/dbraw/zinc/59/07/30/760590730.db2.gz WUUMVOLQGOIRAS-ZIAGYGMSSA-N 1 3 336.436 0.963 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CNCc1cn(C)nn1 ZINC001048478439 760592460 /nfs/dbraw/zinc/59/24/60/760592460.db2.gz GMDFKVLRDKYMKF-CVEARBPZSA-N 1 3 348.495 0.875 20 0 ECADHO Cc1nc(CN[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2(C)C)n[nH]1 ZINC000995819237 760686399 /nfs/dbraw/zinc/68/63/99/760686399.db2.gz FCQMOPBVRGPQOL-CABCVRRESA-N 1 3 346.479 0.782 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1)C1CC1 ZINC000995892722 760735523 /nfs/dbraw/zinc/73/55/23/760735523.db2.gz GDRMGGZTFUKCMN-GDBMZVCRSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050773910 760824840 /nfs/dbraw/zinc/82/48/40/760824840.db2.gz WNWKHFAURPGQRO-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC000991441404 760962256 /nfs/dbraw/zinc/96/22/56/760962256.db2.gz NSNUBMGNMQICDC-KRWDZBQOSA-N 1 3 338.496 0.632 20 0 ECADHO Cc1noc(CCCN2CC[C@@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001046831235 763191111 /nfs/dbraw/zinc/19/11/11/763191111.db2.gz HYMJEVSFTPOKLD-WMLDXEAASA-N 1 3 335.452 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763362354 /nfs/dbraw/zinc/36/23/54/763362354.db2.gz JUTIVOKCFYGDOX-IAGOWNOFSA-N 1 3 332.448 0.659 20 0 ECADHO Cc1ncsc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931429 763367384 /nfs/dbraw/zinc/36/73/84/763367384.db2.gz AQJXTIYPFGXFMO-KBPBESRZSA-N 1 3 338.477 0.720 20 0 ECADHO Cc1ncsc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051931429 763367391 /nfs/dbraw/zinc/36/73/91/763367391.db2.gz AQJXTIYPFGXFMO-KBPBESRZSA-N 1 3 338.477 0.720 20 0 ECADHO Cc1ncccc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051932115 763373277 /nfs/dbraw/zinc/37/32/77/763373277.db2.gz KVXPIBMZFMJQKK-SJORKVTESA-N 1 3 332.448 0.659 20 0 ECADHO Cc1ncccc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051932115 763373287 /nfs/dbraw/zinc/37/32/87/763373287.db2.gz KVXPIBMZFMJQKK-SJORKVTESA-N 1 3 332.448 0.659 20 0 ECADHO CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312570 768138435 /nfs/dbraw/zinc/13/84/35/768138435.db2.gz IVAYDEVRPIKXQO-BZUAXINKSA-N 1 3 340.512 0.927 20 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765263595 /nfs/dbraw/zinc/26/35/95/765263595.db2.gz NWWOLGWLTUEFBS-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H](N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001052871697 765266593 /nfs/dbraw/zinc/26/65/93/765266593.db2.gz NSMJSFDMKDVUEU-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NCC(=O)N1CCC1 ZINC001054791571 768278372 /nfs/dbraw/zinc/27/83/72/768278372.db2.gz QWNCXUHTTVGTNZ-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO Cn1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001015998036 765693172 /nfs/dbraw/zinc/69/31/72/765693172.db2.gz LFUBRBYPALIFTP-ZBFHGGJFSA-N 1 3 332.448 0.418 20 0 ECADHO Cn1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001015998036 765693174 /nfs/dbraw/zinc/69/31/74/765693174.db2.gz LFUBRBYPALIFTP-ZBFHGGJFSA-N 1 3 332.448 0.418 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CCCF ZINC001106455277 768325836 /nfs/dbraw/zinc/32/58/36/768325836.db2.gz JZEDLBHLLRPGAN-HCBPCCMXSA-N 1 3 339.455 0.893 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001053357386 766025990 /nfs/dbraw/zinc/02/59/90/766025990.db2.gz TWNYDXOILDPOEV-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1cncn1C ZINC001054854481 768340561 /nfs/dbraw/zinc/34/05/61/768340561.db2.gz UYCIPQWOYWCLMX-GOEBONIOSA-N 1 3 331.464 0.985 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2CCn1cncn1)[NH+](C)C ZINC001045797040 766382167 /nfs/dbraw/zinc/38/21/67/766382167.db2.gz MPUQBECECMCNIY-IKGGRYGDSA-N 1 3 348.495 0.930 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@H]2CCc3ncnn32)C1 ZINC001031665959 766388488 /nfs/dbraw/zinc/38/84/88/766388488.db2.gz JTCJNHLHHVARQS-CVEARBPZSA-N 1 3 346.479 0.686 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@H]2CCc3ncnn32)C1 ZINC001031665959 766388499 /nfs/dbraw/zinc/38/84/99/766388499.db2.gz JTCJNHLHHVARQS-CVEARBPZSA-N 1 3 346.479 0.686 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCn2cncn2)CC1 ZINC001045841164 766425278 /nfs/dbraw/zinc/42/52/78/766425278.db2.gz MBPCYGRXXRBLDZ-SJORKVTESA-N 1 3 346.479 0.685 20 0 ECADHO O=C(N1CC[C@H](n2cc(CNCC3CC3)nn2)C1)C12CC[NH+](CC1)C2 ZINC001089595270 766597173 /nfs/dbraw/zinc/59/71/73/766597173.db2.gz LZZGVLNPEWQCGS-INIZCTEOSA-N 1 3 344.463 0.647 20 0 ECADHO C[C@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035082 766717966 /nfs/dbraw/zinc/71/79/66/766717966.db2.gz DALXAOVOWBQRNW-RDJZCZTQSA-N 1 3 338.496 0.070 20 0 ECADHO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035082 766717971 /nfs/dbraw/zinc/71/79/71/766717971.db2.gz DALXAOVOWBQRNW-RDJZCZTQSA-N 1 3 338.496 0.070 20 0 ECADHO CN(C)[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](CC3CC3)C2)CC1)C1CC1 ZINC001046034984 766718068 /nfs/dbraw/zinc/71/80/68/766718068.db2.gz AGLSHQIEWMCFMA-MSOLQXFVSA-N 1 3 334.508 0.955 20 0 ECADHO CN(C)[C@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1)C1CC1 ZINC001046034984 766718071 /nfs/dbraw/zinc/71/80/71/766718071.db2.gz AGLSHQIEWMCFMA-MSOLQXFVSA-N 1 3 334.508 0.955 20 0 ECADHO C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035534 766721260 /nfs/dbraw/zinc/72/12/60/766721260.db2.gz OLSCUDVGKDVHTE-HZPDHXFCSA-N 1 3 338.496 0.070 20 0 ECADHO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035534 766721263 /nfs/dbraw/zinc/72/12/63/766721263.db2.gz OLSCUDVGKDVHTE-HZPDHXFCSA-N 1 3 338.496 0.070 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CC23CCN([C@@H]2CCCNC2=O)CC3)CC1 ZINC001016809604 766965703 /nfs/dbraw/zinc/96/57/03/766965703.db2.gz ZEUBELGIVILGIG-HZPDHXFCSA-N 1 3 348.491 0.578 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000994855625 767045365 /nfs/dbraw/zinc/04/53/65/767045365.db2.gz SLGPJNGNJDVWBN-CABCVRRESA-N 1 3 331.420 0.296 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000994855625 767045373 /nfs/dbraw/zinc/04/53/73/767045373.db2.gz SLGPJNGNJDVWBN-CABCVRRESA-N 1 3 331.420 0.296 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000938827710 767126547 /nfs/dbraw/zinc/12/65/47/767126547.db2.gz YCHCBLQXFQUCSV-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCn2cncn2)C1 ZINC001089732094 767134579 /nfs/dbraw/zinc/13/45/79/767134579.db2.gz LYQAIASBFKOVIQ-JKSUJKDBSA-N 1 3 348.495 0.837 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCn2cncn2)C1 ZINC001089732094 767134580 /nfs/dbraw/zinc/13/45/80/767134580.db2.gz LYQAIASBFKOVIQ-JKSUJKDBSA-N 1 3 348.495 0.837 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1 ZINC001106910786 767151604 /nfs/dbraw/zinc/15/16/04/767151604.db2.gz OLLVUXFHIYMINM-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N1CCC(C)CC1 ZINC001127643709 767389104 /nfs/dbraw/zinc/38/91/04/767389104.db2.gz HRJCEPMDCHANQU-BZUAXINKSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N1CCC(C)CC1 ZINC001127643709 767389113 /nfs/dbraw/zinc/38/91/13/767389113.db2.gz HRJCEPMDCHANQU-BZUAXINKSA-N 1 3 338.496 0.679 20 0 ECADHO C[NH+](C)CC1(C(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001060463651 767470483 /nfs/dbraw/zinc/47/04/83/767470483.db2.gz ZZWWTWIBSGPFOJ-AWEZNQCLSA-N 1 3 347.463 0.649 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)CCC1 ZINC001017142273 767642707 /nfs/dbraw/zinc/64/27/07/767642707.db2.gz MIIBJIYJOUCHHR-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)CCC1 ZINC001017142273 767642715 /nfs/dbraw/zinc/64/27/15/767642715.db2.gz MIIBJIYJOUCHHR-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356412 768457964 /nfs/dbraw/zinc/45/79/64/768457964.db2.gz BIRHTBOQQQQRQY-GDBMZVCRSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356412 768457969 /nfs/dbraw/zinc/45/79/69/768457969.db2.gz BIRHTBOQQQQRQY-GDBMZVCRSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106663053 768573468 /nfs/dbraw/zinc/57/34/68/768573468.db2.gz PNUBPYQGBWBJRR-RBSFLKMASA-N 1 3 336.480 0.433 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000993803767 769643818 /nfs/dbraw/zinc/64/38/18/769643818.db2.gz BEUTUTKBCCLRJZ-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000993803767 769643822 /nfs/dbraw/zinc/64/38/22/769643822.db2.gz BEUTUTKBCCLRJZ-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1)N(C)C ZINC001019038422 770627727 /nfs/dbraw/zinc/62/77/27/770627727.db2.gz RFVLZHIQQHTVRZ-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1)N(C)C ZINC001019038422 770627728 /nfs/dbraw/zinc/62/77/28/770627728.db2.gz RFVLZHIQQHTVRZ-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCC3(CN(C(=O)CN4CCCC4)C3)C2)C1 ZINC001019041010 770641248 /nfs/dbraw/zinc/64/12/48/770641248.db2.gz XCODBXJDTGWSKW-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)CN4CCCC4)C3)C2)C1 ZINC001019041010 770641251 /nfs/dbraw/zinc/64/12/51/770641251.db2.gz XCODBXJDTGWSKW-INIZCTEOSA-N 1 3 348.491 0.485 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001019108267 770805857 /nfs/dbraw/zinc/80/58/57/770805857.db2.gz KZXFXMCTYJHIOK-HZPDHXFCSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)C2 ZINC001019441416 771289864 /nfs/dbraw/zinc/28/98/64/771289864.db2.gz LDNGEAHXRFLBAI-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)C2 ZINC001019441416 771289866 /nfs/dbraw/zinc/28/98/66/771289866.db2.gz LDNGEAHXRFLBAI-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO O=C(NCCNCc1ccc2nonc2c1)[C@H]1C[NH+]2CCC1CC2 ZINC001127481606 771319687 /nfs/dbraw/zinc/31/96/87/771319687.db2.gz VDVAMEVECXMLMQ-AWEZNQCLSA-N 1 3 329.404 0.770 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001056670035 771495919 /nfs/dbraw/zinc/49/59/19/771495919.db2.gz KFQCCFFTAZSKDU-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001019779988 771790258 /nfs/dbraw/zinc/79/02/58/771790258.db2.gz CHRWEQWBPWBJMQ-ZFWWWQNUSA-N 1 3 336.436 0.642 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178632 772247951 /nfs/dbraw/zinc/24/79/51/772247951.db2.gz AFIOYIVNWLRVQY-KLHDSHLOSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178632 772247955 /nfs/dbraw/zinc/24/79/55/772247955.db2.gz AFIOYIVNWLRVQY-KLHDSHLOSA-N 1 3 334.420 0.583 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001020288931 772404165 /nfs/dbraw/zinc/40/41/65/772404165.db2.gz NMHVPRDAFYZCHN-IXYNUQLISA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001020288931 772404168 /nfs/dbraw/zinc/40/41/68/772404168.db2.gz NMHVPRDAFYZCHN-IXYNUQLISA-N 1 3 332.452 0.569 20 0 ECADHO Cc1nc2c([nH]1)C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc3cnn(C)c3)C1)CC2 ZINC001020317051 772438148 /nfs/dbraw/zinc/43/81/48/772438148.db2.gz XTTBVONFIWEHIF-RBSFLKMASA-N 1 3 342.447 0.994 20 0 ECADHO Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc3cnn(C)c3)C1)C2 ZINC001020317051 772438151 /nfs/dbraw/zinc/43/81/51/772438151.db2.gz XTTBVONFIWEHIF-RBSFLKMASA-N 1 3 342.447 0.994 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020407183 772551910 /nfs/dbraw/zinc/55/19/10/772551910.db2.gz SJZXCQRSBIDIBH-CQQBTKAPSA-N 1 3 349.475 0.513 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)CN1CCCC1 ZINC001044859071 774682804 /nfs/dbraw/zinc/68/28/04/774682804.db2.gz ZOWPKHVODJOQQM-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCCO)C1 ZINC001039867427 783205361 /nfs/dbraw/zinc/20/53/61/783205361.db2.gz YIFRBGJCWKXRAM-IXDOHACOSA-N 1 3 339.480 0.543 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCCO)C1 ZINC001039867427 783205372 /nfs/dbraw/zinc/20/53/72/783205372.db2.gz YIFRBGJCWKXRAM-IXDOHACOSA-N 1 3 339.480 0.543 20 0 ECADHO CC1(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[NH+](CCCO)CC1 ZINC001045506343 775712819 /nfs/dbraw/zinc/71/28/19/775712819.db2.gz KJMSKDFEWTVQBV-SWKXRBFHSA-N 1 3 337.464 0.203 20 0 ECADHO CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001079951654 777138047 /nfs/dbraw/zinc/13/80/47/777138047.db2.gz AALFISKYCSIIES-KRWDZBQOSA-N 1 3 340.512 0.972 20 0 ECADHO CCN(C(=O)C(C)(C)[N@H+](C)CC)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001079996260 777206447 /nfs/dbraw/zinc/20/64/47/777206447.db2.gz HXIUUENJNWKOKS-HNNXBMFYSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001079996260 777206457 /nfs/dbraw/zinc/20/64/57/777206457.db2.gz HXIUUENJNWKOKS-HNNXBMFYSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070075716 790520267 /nfs/dbraw/zinc/52/02/67/790520267.db2.gz BFDWSJHNBYKPFX-OAGGEKHMSA-N 1 3 334.468 0.617 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070075716 790520273 /nfs/dbraw/zinc/52/02/73/790520273.db2.gz BFDWSJHNBYKPFX-OAGGEKHMSA-N 1 3 334.468 0.617 20 0 ECADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077906 790528171 /nfs/dbraw/zinc/52/81/71/790528171.db2.gz PTESCRHXJNSOJK-CVEARBPZSA-N 1 3 344.463 0.516 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080142915 777458526 /nfs/dbraw/zinc/45/85/26/777458526.db2.gz NPOIDKFUQVUTNP-OAHLLOKOSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080142915 777458533 /nfs/dbraw/zinc/45/85/33/777458533.db2.gz NPOIDKFUQVUTNP-OAHLLOKOSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382599 777774272 /nfs/dbraw/zinc/77/42/72/777774272.db2.gz UAACLSOKNQMURN-RHSMWYFYSA-N 1 3 333.480 0.741 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001080383081 777775094 /nfs/dbraw/zinc/77/50/94/777775094.db2.gz OVHVGHBJEDSNAR-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001080533926 777977206 /nfs/dbraw/zinc/97/72/06/777977206.db2.gz YVTPBYGFBDSGBB-KRWDZBQOSA-N 1 3 340.512 0.974 20 0 ECADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001080533926 777977208 /nfs/dbraw/zinc/97/72/08/777977208.db2.gz YVTPBYGFBDSGBB-KRWDZBQOSA-N 1 3 340.512 0.974 20 0 ECADHO CCN(C(=O)CN1CC[C@H](C)C1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001080559410 778032958 /nfs/dbraw/zinc/03/29/58/778032958.db2.gz FANUYULDTVIDCN-HNNXBMFYSA-N 1 3 348.491 0.483 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001080559894 778038595 /nfs/dbraw/zinc/03/85/95/778038595.db2.gz QLJWQJKRHBLMPA-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080559894 778038601 /nfs/dbraw/zinc/03/86/01/778038601.db2.gz QLJWQJKRHBLMPA-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C)N(C)C ZINC001078502053 780029340 /nfs/dbraw/zinc/02/93/40/780029340.db2.gz GMBXNONHBPKRST-QEJZJMRPSA-N 1 3 326.485 0.678 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001079092682 780757158 /nfs/dbraw/zinc/75/71/58/780757158.db2.gz IQNVHVRNSZFXRW-HNNXBMFYSA-N 1 3 335.452 0.743 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077618593 781359811 /nfs/dbraw/zinc/35/98/11/781359811.db2.gz NFJGYIZYAPQCNB-GVDBMIGSSA-N 1 3 339.480 0.449 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001077664228 781457246 /nfs/dbraw/zinc/45/72/46/781457246.db2.gz URQCJVXTVSEMEB-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001077665156 781458698 /nfs/dbraw/zinc/45/86/98/781458698.db2.gz GKOMSHWALYLKRV-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001077665156 781458700 /nfs/dbraw/zinc/45/87/00/781458700.db2.gz GKOMSHWALYLKRV-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041488853 781617622 /nfs/dbraw/zinc/61/76/22/781617622.db2.gz LIHQPKRDHIAVHV-TXLGJMDYSA-N 1 3 349.475 0.156 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001041488853 781617628 /nfs/dbraw/zinc/61/76/28/781617628.db2.gz LIHQPKRDHIAVHV-TXLGJMDYSA-N 1 3 349.475 0.156 20 0 ECADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@]2(CCN(CCO)C2)O1 ZINC001071199418 784719410 /nfs/dbraw/zinc/71/94/10/784719410.db2.gz MCOZEYDNJAGBJO-MAUKXSAKSA-N 1 3 339.480 0.545 20 0 ECADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001072299885 786008040 /nfs/dbraw/zinc/00/80/40/786008040.db2.gz HDUXYVIINCZKAD-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001072316858 786030510 /nfs/dbraw/zinc/03/05/10/786030510.db2.gz HIKRKWWGBYPUBB-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1cn(C)nn1 ZINC001072355981 786071419 /nfs/dbraw/zinc/07/14/19/786071419.db2.gz DKSRKBUBOUOMAQ-GDBMZVCRSA-N 1 3 348.495 0.731 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001072431754 786174308 /nfs/dbraw/zinc/17/43/08/786174308.db2.gz AFGJZJWQGWWOJA-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605164 786758837 /nfs/dbraw/zinc/75/88/37/786758837.db2.gz CLFSDUZKLGAURU-HOTGVXAUSA-N 1 3 325.453 0.182 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073652395 786877132 /nfs/dbraw/zinc/87/71/32/786877132.db2.gz YKJVJHHCEAOJDU-INIZCTEOSA-N 1 3 339.480 0.716 20 0 ECADHO O=C(NC[C@H]1CN(CCO)CCCO1)C1CC[NH+](CC2CC2)CC1 ZINC001073850911 787359630 /nfs/dbraw/zinc/35/96/30/787359630.db2.gz OOPNHIIYIWDAKA-KRWDZBQOSA-N 1 3 339.480 0.308 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@H]2CCc3ncnn32)CCN1C(=O)CN(C)C1CCC1 ZINC001074687724 787599610 /nfs/dbraw/zinc/59/96/10/787599610.db2.gz BOXYWSRKBPOKCN-IMJJTQAJSA-N 1 3 346.479 0.829 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001073978070 787625971 /nfs/dbraw/zinc/62/59/71/787625971.db2.gz YETFADSPDSMTEG-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001073978072 787626101 /nfs/dbraw/zinc/62/61/01/787626101.db2.gz YETFADSPDSMTEG-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001072621639 788451048 /nfs/dbraw/zinc/45/10/48/788451048.db2.gz DGZXDSABDBZFBK-LSDHHAIUSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCc3cnn(C)c3)[C@@H]2C)C1 ZINC001074878150 788477829 /nfs/dbraw/zinc/47/78/29/788477829.db2.gz CMIUQASLSMOCIN-ZOBUZTSGSA-N 1 3 333.480 0.883 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001072668556 788550508 /nfs/dbraw/zinc/55/05/08/788550508.db2.gz LKBBEGBQNHLCEK-GDBMZVCRSA-N 1 3 338.496 0.633 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001072742201 788690396 /nfs/dbraw/zinc/69/03/96/788690396.db2.gz NVTVXILSWKDFNB-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001072742201 788690399 /nfs/dbraw/zinc/69/03/99/788690399.db2.gz NVTVXILSWKDFNB-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001075038728 788778566 /nfs/dbraw/zinc/77/85/66/788778566.db2.gz LCPITWRILGCJOO-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001072981213 789207180 /nfs/dbraw/zinc/20/71/80/789207180.db2.gz AVJHUNGFNIPIID-HOTGVXAUSA-N 1 3 331.464 0.615 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001072981213 789207187 /nfs/dbraw/zinc/20/71/87/789207187.db2.gz AVJHUNGFNIPIID-HOTGVXAUSA-N 1 3 331.464 0.615 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001075335603 789228762 /nfs/dbraw/zinc/22/87/62/789228762.db2.gz PXMPSQWRSBOBGN-UKRRQHHQSA-N 1 3 330.436 0.960 20 0 ECADHO CCN(CC)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073047159 789343029 /nfs/dbraw/zinc/34/30/29/789343029.db2.gz XCIFDWIERKDAGX-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073047159 789343034 /nfs/dbraw/zinc/34/30/34/789343034.db2.gz XCIFDWIERKDAGX-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C ZINC001067704127 792158787 /nfs/dbraw/zinc/15/87/87/792158787.db2.gz VZMJZVNYDKNVJK-UHFFFAOYSA-N 1 3 328.501 0.975 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001267428904 837398809 /nfs/dbraw/zinc/39/88/09/837398809.db2.gz GHRINOPPYKKJRJ-GJZGRUSLSA-N 1 3 345.509 0.201 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001266634907 836070676 /nfs/dbraw/zinc/07/06/76/836070676.db2.gz LGZQVGYKGMHXSM-KKUMJFAQSA-N 1 3 336.436 0.693 20 0 ECADHO C[C@H]1CCN(CC(=O)NC[C@H]2CCC[N@H+](CCOCCO)C2)C1 ZINC001266760808 836261864 /nfs/dbraw/zinc/26/18/64/836261864.db2.gz NAYWTJVQLFILGN-JKSUJKDBSA-N 1 3 327.469 0.165 20 0 ECADHO C[C@H]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](CCOCCO)C2)C1 ZINC001266760808 836261876 /nfs/dbraw/zinc/26/18/76/836261876.db2.gz NAYWTJVQLFILGN-JKSUJKDBSA-N 1 3 327.469 0.165 20 0 ECADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001266879531 836426135 /nfs/dbraw/zinc/42/61/35/836426135.db2.gz BFKWEWJUDHLXMT-HZPDHXFCSA-N 1 3 336.484 0.835 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001266881573 836430555 /nfs/dbraw/zinc/43/05/55/836430555.db2.gz YENLDRFURIFDLB-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+](C)CC1(C(=O)NCCCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001283319062 836538328 /nfs/dbraw/zinc/53/83/28/836538328.db2.gz ODQIJKWRZJNPNL-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(=O)NCCNCCF)C2)C1 ZINC001267002235 836596094 /nfs/dbraw/zinc/59/60/94/836596094.db2.gz GZLSWHMYZJRSLH-HUUCEWRRSA-N 1 3 342.459 0.242 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(=O)NCCNCCF)C2)C1 ZINC001267002235 836596106 /nfs/dbraw/zinc/59/61/06/836596106.db2.gz GZLSWHMYZJRSLH-HUUCEWRRSA-N 1 3 342.459 0.242 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCNC(=O)NC(C)(C)C)N(C)C ZINC001267386939 837325170 /nfs/dbraw/zinc/32/51/70/837325170.db2.gz BJEBRUFSFVWWGI-AWEZNQCLSA-N 1 3 343.516 0.718 20 0 ECADHO CC[C@H](C(=O)NCCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001408771169 838383421 /nfs/dbraw/zinc/38/34/21/838383421.db2.gz BTBYUFWRTXLNPG-RBSFLKMASA-N 1 3 326.485 0.632 20 0 ECADHO CC[C@H](C(=O)NCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001408771169 838383428 /nfs/dbraw/zinc/38/34/28/838383428.db2.gz BTBYUFWRTXLNPG-RBSFLKMASA-N 1 3 326.485 0.632 20 0 ECADHO CCOCCN1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267764401 838495539 /nfs/dbraw/zinc/49/55/39/838495539.db2.gz UQFUJPXJRULKEJ-HNNXBMFYSA-N 1 3 337.468 0.628 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001408829503 838577282 /nfs/dbraw/zinc/57/72/82/838577282.db2.gz SKZNTFCGQXISBC-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001408829503 838577285 /nfs/dbraw/zinc/57/72/85/838577285.db2.gz SKZNTFCGQXISBC-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCNC(=O)NC(C)(C)C)N(C)C ZINC001268085961 839287697 /nfs/dbraw/zinc/28/76/97/839287697.db2.gz KOMHZRNKBSJIOI-KGLIPLIRSA-N 1 3 343.516 0.861 20 0 ECADHO CN(C)[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000416815658 282241121 /nfs/dbraw/zinc/24/11/21/282241121.db2.gz WQUAZJOYXNBCPO-QZTJIDSGSA-N 1 3 345.491 0.978 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427308311 210191606 /nfs/dbraw/zinc/19/16/06/210191606.db2.gz LBCIIXGKTFFSOE-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CNC(=O)CCN(C)Cc1cccc(C[N@H+](C)CCC(=O)NC)c1 ZINC000171670554 529857049 /nfs/dbraw/zinc/85/70/49/529857049.db2.gz ZYYNZEOSQDSNKX-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO CNC(=O)CCN(C)Cc1cccc(C[N@@H+](C)CCC(=O)NC)c1 ZINC000171670554 529857051 /nfs/dbraw/zinc/85/70/51/529857051.db2.gz ZYYNZEOSQDSNKX-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426482126 210153014 /nfs/dbraw/zinc/15/30/14/210153014.db2.gz JXQMAZWSOGLSKK-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426482126 210153016 /nfs/dbraw/zinc/15/30/16/210153016.db2.gz JXQMAZWSOGLSKK-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354796974 299130005 /nfs/dbraw/zinc/13/00/05/299130005.db2.gz SCTSZDXEGFFDFL-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354796974 299130009 /nfs/dbraw/zinc/13/00/09/299130009.db2.gz SCTSZDXEGFFDFL-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@@H+]1C ZINC000425387276 210046629 /nfs/dbraw/zinc/04/66/29/210046629.db2.gz NCQOYNHBVNAXMJ-YHUYYLMFSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@H+]1C ZINC000425387276 210046630 /nfs/dbraw/zinc/04/66/30/210046630.db2.gz NCQOYNHBVNAXMJ-YHUYYLMFSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)C(C)(C)C[NH+](C)C ZINC000419550816 209124042 /nfs/dbraw/zinc/12/40/42/209124042.db2.gz VFNMCDBINDGQOJ-OCCSQVGLSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000355278675 299230003 /nfs/dbraw/zinc/23/00/03/299230003.db2.gz LDMXPXANBVPBIO-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000355283560 299230493 /nfs/dbraw/zinc/23/04/93/299230493.db2.gz UIAWEVAOKLYHAJ-ILXRZTDVSA-N 1 3 326.485 0.822 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H](N4CCCC4)C3)C2)C1 ZINC000460026769 283101848 /nfs/dbraw/zinc/10/18/48/283101848.db2.gz USUMWCSMBPJRPG-VQIMIIECSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H](N4CCCC4)C3)C2)C1 ZINC000460026769 283101849 /nfs/dbraw/zinc/10/18/49/283101849.db2.gz USUMWCSMBPJRPG-VQIMIIECSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)N1CCC[C@@H](C)C1 ZINC000355295701 299233018 /nfs/dbraw/zinc/23/30/18/299233018.db2.gz GOBVCMFJAAJDPA-QLFBSQMISA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000355296361 299233125 /nfs/dbraw/zinc/23/31/25/299233125.db2.gz GZNUZVAMAALYHQ-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000420423420 209363536 /nfs/dbraw/zinc/36/35/36/209363536.db2.gz OHEHWAGCMDOVFZ-AWEZNQCLSA-N 1 3 343.497 0.419 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420162381 209326908 /nfs/dbraw/zinc/32/69/08/209326908.db2.gz IAOXLSWFELABIW-UHFFFAOYSA-N 1 3 348.447 0.596 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420102428 209306292 /nfs/dbraw/zinc/30/62/92/209306292.db2.gz NPQUVDALYXUECK-LSDHHAIUSA-N 1 3 326.485 0.681 20 0 ECADHO NC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000420077797 209300655 /nfs/dbraw/zinc/30/06/55/209300655.db2.gz YOKFYCUUJUPBLE-ZBFHGGJFSA-N 1 3 336.480 0.564 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419969257 209264503 /nfs/dbraw/zinc/26/45/03/209264503.db2.gz ROPCZHAOTMPILI-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000419950065 209258899 /nfs/dbraw/zinc/25/88/99/209258899.db2.gz LZCMKRGXDTUMTO-HNNXBMFYSA-N 1 3 340.512 0.929 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419940165 209254859 /nfs/dbraw/zinc/25/48/59/209254859.db2.gz TYRAPTFKJMAHHV-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419898482 209243544 /nfs/dbraw/zinc/24/35/44/209243544.db2.gz ZXTCLMATLAWALA-HNNXBMFYSA-N 1 3 336.411 0.194 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000419888531 209238790 /nfs/dbraw/zinc/23/87/90/209238790.db2.gz KATFWTGLQNVDRM-UHFFFAOYSA-N 1 3 338.427 0.442 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419872523 209233712 /nfs/dbraw/zinc/23/37/12/209233712.db2.gz UJPGAYONSWSHAB-AWEZNQCLSA-N 1 3 338.477 0.492 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419866146 209231101 /nfs/dbraw/zinc/23/11/01/209231101.db2.gz PRDJSODDGGZGBV-KRWDZBQOSA-N 1 3 346.475 0.950 20 0 ECADHO Cc1nccn1CCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000356276086 299372986 /nfs/dbraw/zinc/37/29/86/299372986.db2.gz YBXADURQCJCHDU-UHFFFAOYSA-N 1 3 336.484 0.859 20 0 ECADHO Cc1nccn1CCNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000356276086 299372990 /nfs/dbraw/zinc/37/29/90/299372990.db2.gz YBXADURQCJCHDU-UHFFFAOYSA-N 1 3 336.484 0.859 20 0 ECADHO Cc1nccn1CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000356276086 299372993 /nfs/dbraw/zinc/37/29/93/299372993.db2.gz YBXADURQCJCHDU-UHFFFAOYSA-N 1 3 336.484 0.859 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419782137 209203495 /nfs/dbraw/zinc/20/34/95/209203495.db2.gz UCRYAOGQQOSZLS-LSDHHAIUSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)([NH3+])CNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419728216 209190643 /nfs/dbraw/zinc/19/06/43/209190643.db2.gz XWPUUWPSSRDHEC-UHFFFAOYSA-N 1 3 332.448 0.621 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN)C(C)C ZINC000419793456 209205353 /nfs/dbraw/zinc/20/53/53/209205353.db2.gz BTZOJPLQWJVOFC-GJZGRUSLSA-N 1 3 326.485 0.807 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419725386 209189674 /nfs/dbraw/zinc/18/96/74/209189674.db2.gz RYNJDYPDABJHCK-AWEZNQCLSA-N 1 3 332.448 0.621 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419723124 209188520 /nfs/dbraw/zinc/18/85/20/209188520.db2.gz NTWGXXJJLIFNAH-AWEZNQCLSA-N 1 3 332.448 0.478 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC([NH2+]C)CC2)CC1=O ZINC000246899347 243331142 /nfs/dbraw/zinc/33/11/42/243331142.db2.gz JRCYOMFNFXBNKU-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000419698941 209176224 /nfs/dbraw/zinc/17/62/24/209176224.db2.gz QFULVOLTAVOJSQ-XHSDSOJGSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419696996 209175107 /nfs/dbraw/zinc/17/51/07/209175107.db2.gz NIPMWQKUUGFLSW-INIZCTEOSA-N 1 3 338.496 0.871 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(C4CCCC4)C3)C[C@@H]21 ZINC000419692625 209172957 /nfs/dbraw/zinc/17/29/57/209172957.db2.gz HABQINKTNKPZSX-YQFWSFKMSA-N 1 3 348.491 0.705 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419657308 209160549 /nfs/dbraw/zinc/16/05/49/209160549.db2.gz JPDMMIICVYSUPO-HYVNUMGLSA-N 1 3 344.459 0.634 20 0 ECADHO N[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000419649663 209157554 /nfs/dbraw/zinc/15/75/54/209157554.db2.gz UHDCAUHESSCEJQ-KRWDZBQOSA-N 1 3 344.459 0.793 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000419645600 209155890 /nfs/dbraw/zinc/15/58/90/209155890.db2.gz PHGLRWCSGXKUMG-IRXDYDNUSA-N 1 3 346.475 0.998 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)[C@H]1CC[NH2+]C1 ZINC000419578331 209131621 /nfs/dbraw/zinc/13/16/21/209131621.db2.gz FPCMYKGFYHMXPN-BBRMVZONSA-N 1 3 342.509 0.140 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423123930 284610310 /nfs/dbraw/zinc/61/03/10/284610310.db2.gz FRCPESFAOLBXPC-IYBDPMFKSA-N 1 3 338.496 0.491 20 0 ECADHO COCCOC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450341262 211321047 /nfs/dbraw/zinc/32/10/47/211321047.db2.gz JGSFOUCHKYRJDW-SOLBZPMBSA-N 1 3 344.496 0.832 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000449336524 211280030 /nfs/dbraw/zinc/28/00/30/211280030.db2.gz NVXBCBJFRHWUDL-DGCLKSJQSA-N 1 3 332.404 0.950 20 0 ECADHO C[C@H]1C[C@H](CCNC(=O)C(=O)N(C)CCN)C[N@H+]1Cc1ccccc1 ZINC000419482192 209106767 /nfs/dbraw/zinc/10/67/67/209106767.db2.gz XXHVLNSHVTXTJB-RDJZCZTQSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H]1C[C@H](CCNC(=O)C(=O)N(C)CCN)C[N@@H+]1Cc1ccccc1 ZINC000419482192 209106763 /nfs/dbraw/zinc/10/67/63/209106763.db2.gz XXHVLNSHVTXTJB-RDJZCZTQSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)CN1CCCC1 ZINC000357178424 299532443 /nfs/dbraw/zinc/53/24/43/299532443.db2.gz RSQMKXJXDFOBMM-ZDUSSCGKSA-N 1 3 331.482 0.001 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417573572 285033972 /nfs/dbraw/zinc/03/39/72/285033972.db2.gz XBRULQWPHOTZTR-GOEBONIOSA-N 1 3 328.457 0.165 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CCC1 ZINC000410996497 208047119 /nfs/dbraw/zinc/04/71/19/208047119.db2.gz LOLAUWCYFBMBEU-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000411028975 208057420 /nfs/dbraw/zinc/05/74/20/208057420.db2.gz PQEYBEABMRGSQF-OAHLLOKOSA-N 1 3 338.496 0.870 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)ccc1CN(C)C ZINC000415609117 208555429 /nfs/dbraw/zinc/55/54/29/208555429.db2.gz TYTMUCQOBMBTTJ-HNNXBMFYSA-N 1 3 334.420 0.181 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000429517620 210322496 /nfs/dbraw/zinc/32/24/96/210322496.db2.gz SASYETBKSGMHSP-XJKSGUPXSA-N 1 3 332.448 0.733 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000419023923 296384402 /nfs/dbraw/zinc/38/44/02/296384402.db2.gz KKLLHSFSNSXKHR-QLFBSQMISA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419147271 209001177 /nfs/dbraw/zinc/00/11/77/209001177.db2.gz IEKVZWQJTZPZNR-HNNXBMFYSA-N 1 3 336.480 0.649 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCN1CCOC1=O ZINC000495716009 285243021 /nfs/dbraw/zinc/24/30/21/285243021.db2.gz GBJUEQLLHAKBRM-OAHLLOKOSA-N 1 3 340.468 0.703 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCN1CCOC1=O ZINC000495716009 285243022 /nfs/dbraw/zinc/24/30/22/285243022.db2.gz GBJUEQLLHAKBRM-OAHLLOKOSA-N 1 3 340.468 0.703 20 0 ECADHO O=C1O[C@]2(CN1CN1CC[C@@H](N3CC=CC3)C1)C[NH+]1CCC2CC1 ZINC000496009549 255063250 /nfs/dbraw/zinc/06/32/50/255063250.db2.gz IVWNWICKXLBAKT-AEFFLSMTSA-N 1 3 332.448 0.807 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000496282404 255087656 /nfs/dbraw/zinc/08/76/56/255087656.db2.gz IURFHRKEGHFDSJ-AWEZNQCLSA-N 1 3 326.441 0.348 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419175947 209014002 /nfs/dbraw/zinc/01/40/02/209014002.db2.gz YJFIXBAHRNTNDQ-OAGGEKHMSA-N 1 3 338.496 0.871 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000419172057 209012215 /nfs/dbraw/zinc/01/22/15/209012215.db2.gz QJLLQDOGSPVXLS-HOCLYGCPSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000419172057 209012221 /nfs/dbraw/zinc/01/22/21/209012221.db2.gz QJLLQDOGSPVXLS-HOCLYGCPSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N1CCC[C@@H]1CN)[N@H+](C)Cc1ccccc1 ZINC000419187767 209017643 /nfs/dbraw/zinc/01/76/43/209017643.db2.gz GHEXMOIGVBCBKN-NVXWUHKLSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N1CCC[C@@H]1CN)[N@@H+](C)Cc1ccccc1 ZINC000419187767 209017647 /nfs/dbraw/zinc/01/76/47/209017647.db2.gz GHEXMOIGVBCBKN-NVXWUHKLSA-N 1 3 346.475 0.963 20 0 ECADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)CCN)CC1 ZINC000419193411 209019820 /nfs/dbraw/zinc/01/98/20/209019820.db2.gz QVZDPQGXOPEKNG-UHFFFAOYSA-N 1 3 346.475 0.952 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000419224529 209032705 /nfs/dbraw/zinc/03/27/05/209032705.db2.gz ZRNYOHNPTHVKRP-OAHLLOKOSA-N 1 3 348.447 0.064 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419229131 209033711 /nfs/dbraw/zinc/03/37/11/209033711.db2.gz NTPYYXZIAPVNSP-OIISXLGYSA-N 1 3 344.459 0.491 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCCN ZINC000419237644 209036612 /nfs/dbraw/zinc/03/66/12/209036612.db2.gz CLBZKZUTXGNCBE-FOLVSLTJSA-N 1 3 332.448 0.334 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCCN ZINC000419237644 209036614 /nfs/dbraw/zinc/03/66/14/209036614.db2.gz CLBZKZUTXGNCBE-FOLVSLTJSA-N 1 3 332.448 0.334 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419288208 209051493 /nfs/dbraw/zinc/05/14/93/209051493.db2.gz RFOGNIKFIOOAEJ-HNNXBMFYSA-N 1 3 326.485 0.858 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419419257 209089002 /nfs/dbraw/zinc/08/90/02/209089002.db2.gz IUKLKXGGLSNLNT-UHFFFAOYSA-N 1 3 332.448 0.229 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1=O ZINC000262702920 165375839 /nfs/dbraw/zinc/37/58/39/165375839.db2.gz BCAPZWXIYHPRAW-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419407990 209084418 /nfs/dbraw/zinc/08/44/18/209084418.db2.gz LEKYWPKLEJKWMB-GDBMZVCRSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)[C@H]1C[NH3+] ZINC000423718837 287323604 /nfs/dbraw/zinc/32/36/04/287323604.db2.gz CGWFLOQFRUWYTO-OAGGEKHMSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C)CCN(C)C(=O)c1cccc(C(=O)N(C)CC[NH+](C)C)c1 ZINC000271786978 263329819 /nfs/dbraw/zinc/32/98/19/263329819.db2.gz MEPAAYLPEYBLME-UHFFFAOYSA-N 1 3 334.464 0.954 20 0 ECADHO CN(C)C/C=C/C(=O)N(C)CC(C)(C)CNC(=O)/C=C/C[NH+](C)C ZINC000272385618 263345472 /nfs/dbraw/zinc/34/54/72/263345472.db2.gz SYDGCEJIKMLCEX-GFULKKFKSA-N 1 3 338.496 0.823 20 0 ECADHO CN(C)C/C=C/C(=O)NCC(C)(C)CN(C)C(=O)/C=C/C[NH+](C)C ZINC000272385618 263345475 /nfs/dbraw/zinc/34/54/75/263345475.db2.gz SYDGCEJIKMLCEX-GFULKKFKSA-N 1 3 338.496 0.823 20 0 ECADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)O1 ZINC000282416191 264042055 /nfs/dbraw/zinc/04/20/55/264042055.db2.gz DHOAXTRZTVTPGT-SJORKVTESA-N 1 3 347.463 0.216 20 0 ECADHO CN(C)C1CN(c2nc3c(c(N4CC(N(C)C)C4)n2)SCC3)C1 ZINC000283778716 264151436 /nfs/dbraw/zinc/15/14/36/264151436.db2.gz PYDULRASHVBFBV-UHFFFAOYSA-N 1 3 334.493 0.625 20 0 ECADHO CN(C)C1CN(c2nc3c(c(N4CC([NH+](C)C)C4)n2)SCC3)C1 ZINC000283778716 264151438 /nfs/dbraw/zinc/15/14/38/264151438.db2.gz PYDULRASHVBFBV-UHFFFAOYSA-N 1 3 334.493 0.625 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)N(C)C)cc1 ZINC000285134148 264282880 /nfs/dbraw/zinc/28/28/80/264282880.db2.gz OJLQOVDZGWQROR-MRXNPFEDSA-N 1 3 334.464 0.734 20 0 ECADHO O=C(C[C@@H]1COCCN1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000285872605 264347595 /nfs/dbraw/zinc/34/75/95/264347595.db2.gz BOKYSXXZWSZOOT-MRXNPFEDSA-N 1 3 347.463 0.088 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000419693487 277264851 /nfs/dbraw/zinc/26/48/51/277264851.db2.gz IWPRBEMRGRTYPR-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419426832 277306597 /nfs/dbraw/zinc/30/65/97/277306597.db2.gz RBNGMOSGJBJBSE-HNNXBMFYSA-N 1 3 332.448 0.793 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000419112126 277383020 /nfs/dbraw/zinc/38/30/20/277383020.db2.gz FHHFBYUGDQQZSS-ZBFHGGJFSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000418951046 278196964 /nfs/dbraw/zinc/19/69/64/278196964.db2.gz RKSVGKOILOKDNW-OAHLLOKOSA-N 1 3 344.459 0.659 20 0 ECADHO CCCN(C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423641527 278742468 /nfs/dbraw/zinc/74/24/68/278742468.db2.gz AVJYSNDKKKFYBM-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N(C)[C@@H](C)CN)[N@H+](C)Cc1ccccc1 ZINC000419203244 279264904 /nfs/dbraw/zinc/26/49/04/279264904.db2.gz NZBDQNIZXNZWSN-CABCVRRESA-N 1 3 334.464 0.819 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N(C)[C@@H](C)CN)[N@@H+](C)Cc1ccccc1 ZINC000419203244 279264905 /nfs/dbraw/zinc/26/49/05/279264905.db2.gz NZBDQNIZXNZWSN-CABCVRRESA-N 1 3 334.464 0.819 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000341994249 279268390 /nfs/dbraw/zinc/26/83/90/279268390.db2.gz AVEBLFYYYLBCKI-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000341994249 279268391 /nfs/dbraw/zinc/26/83/91/279268391.db2.gz AVEBLFYYYLBCKI-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419377616 279838670 /nfs/dbraw/zinc/83/86/70/279838670.db2.gz UYSJIHPYSBEKDG-HZPDHXFCSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000340216388 437607221 /nfs/dbraw/zinc/60/72/21/437607221.db2.gz PIKDQNWFYSUJHT-OAHLLOKOSA-N 1 3 338.496 0.683 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417430256 289018797 /nfs/dbraw/zinc/01/87/97/289018797.db2.gz PASRNSWOMLGGNL-JXQTWKCFSA-N 1 3 325.457 0.060 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC(C)(C)C[NH+](C)C ZINC000458188484 289077972 /nfs/dbraw/zinc/07/79/72/289077972.db2.gz AOURAJVZVANQHF-AWEZNQCLSA-N 1 3 341.500 0.569 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000460043872 289107306 /nfs/dbraw/zinc/10/73/06/289107306.db2.gz SBSOYQBFGUMEFT-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423738170 289134543 /nfs/dbraw/zinc/13/45/43/289134543.db2.gz BTLWQAYJWVODLM-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC[N@@H+]1C ZINC000343649458 437615459 /nfs/dbraw/zinc/61/54/59/437615459.db2.gz YRXUJQQPDPOZOO-RBSFLKMASA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC[N@H+]1C ZINC000343649458 437615463 /nfs/dbraw/zinc/61/54/63/437615463.db2.gz YRXUJQQPDPOZOO-RBSFLKMASA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332626205 297060151 /nfs/dbraw/zinc/06/01/51/297060151.db2.gz DMNQTGLOSKKJMH-ARFHVFGLSA-N 1 3 336.480 0.659 20 0 ECADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000420209349 295258224 /nfs/dbraw/zinc/25/82/24/295258224.db2.gz RTGRYKXCIYQFKM-OAGGEKHMSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)C[C@H]21 ZINC000423146809 295307869 /nfs/dbraw/zinc/30/78/69/295307869.db2.gz BBOVZAXDKLKBED-YYIAUSFCSA-N 1 3 348.491 0.659 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000332983591 297096576 /nfs/dbraw/zinc/09/65/76/297096576.db2.gz 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ZINC000343042589 297814880 /nfs/dbraw/zinc/81/48/80/297814880.db2.gz NNQVVLJPAWKNGH-UHFFFAOYSA-N 1 3 341.496 0.914 20 0 ECADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000344450300 298021533 /nfs/dbraw/zinc/02/15/33/298021533.db2.gz HYYZZRCWEBUCGC-JQHSSLGASA-N 1 3 332.492 0.852 20 0 ECADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000344450300 298021534 /nfs/dbraw/zinc/02/15/34/298021534.db2.gz HYYZZRCWEBUCGC-JQHSSLGASA-N 1 3 332.492 0.852 20 0 ECADHO N[C@@H](CC(F)F)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000345739976 298188547 /nfs/dbraw/zinc/18/85/47/298188547.db2.gz PWLILLCDARGCFE-AWEZNQCLSA-N 1 3 341.406 0.692 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000346570876 298295696 /nfs/dbraw/zinc/29/56/96/298295696.db2.gz PYBIRVVQNAZJEC-HOTGVXAUSA-N 1 3 349.541 0.995 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000346570876 298295699 /nfs/dbraw/zinc/29/56/99/298295699.db2.gz PYBIRVVQNAZJEC-HOTGVXAUSA-N 1 3 349.541 0.995 20 0 ECADHO CN(CCCNC(=O)c1cc(CN2CCCC2)on1)CC[NH+](C)C ZINC000360612362 300006746 /nfs/dbraw/zinc/00/67/46/300006746.db2.gz PQZWLHLDEZOZBO-UHFFFAOYSA-N 1 3 337.468 0.884 20 0 ECADHO CCC[N@@H+]1CCCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000360886694 300037662 /nfs/dbraw/zinc/03/76/62/300037662.db2.gz AAIPSHOZGRWDGO-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CCC[N@H+]1CCCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000360886694 300037664 /nfs/dbraw/zinc/03/76/64/300037664.db2.gz AAIPSHOZGRWDGO-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1=O ZINC000361710960 300118027 /nfs/dbraw/zinc/11/80/27/300118027.db2.gz DXJGLMQIZFYEOK-BZUAXINKSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1=O ZINC000361710960 300118030 /nfs/dbraw/zinc/11/80/30/300118030.db2.gz DXJGLMQIZFYEOK-BZUAXINKSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000361866410 300135311 /nfs/dbraw/zinc/13/53/11/300135311.db2.gz ADQIALYUAQNIKI-OAGGEKHMSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CC2CCN(C)CC2)CC1 ZINC000362769489 300218740 /nfs/dbraw/zinc/21/87/40/300218740.db2.gz LVJVOZAZMFTDKE-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000362867519 300228888 /nfs/dbraw/zinc/22/88/88/300228888.db2.gz JHGGMKATHIHLIA-SUMDDJOVSA-N 1 3 331.460 0.937 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000362867519 300228889 /nfs/dbraw/zinc/22/88/89/300228889.db2.gz JHGGMKATHIHLIA-SUMDDJOVSA-N 1 3 331.460 0.937 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]21 ZINC000363476326 300268123 /nfs/dbraw/zinc/26/81/23/300268123.db2.gz IPXGKLZOVRFIQM-VQHPVUNQSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]21 ZINC000363476326 300268125 /nfs/dbraw/zinc/26/81/25/300268125.db2.gz IPXGKLZOVRFIQM-VQHPVUNQSA-N 1 3 336.480 0.975 20 0 ECADHO CCOC(=O)[C@](C)(O)CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000364340609 300346722 /nfs/dbraw/zinc/34/67/22/300346722.db2.gz HDVBLTCSGBAJQM-LJIGWXMPSA-N 1 3 328.453 0.780 20 0 ECADHO CCOC(=O)[C@](C)(O)CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000364340609 300346725 /nfs/dbraw/zinc/34/67/25/300346725.db2.gz HDVBLTCSGBAJQM-LJIGWXMPSA-N 1 3 328.453 0.780 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000364557840 300368243 /nfs/dbraw/zinc/36/82/43/300368243.db2.gz HAPHCAFNHVQQJU-LPHOPBHVSA-N 1 3 344.459 0.594 20 0 ECADHO CS(=O)(=O)C1(C(=O)N[C@@H](CN)C2CCCCC2)CC[NH2+]CC1 ZINC000367649351 300625032 /nfs/dbraw/zinc/62/50/32/300625032.db2.gz SBJQVPCGYBEUBH-ZDUSSCGKSA-N 1 3 331.482 0.177 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C[NH+]1CCCCC1 ZINC000074225700 436113758 /nfs/dbraw/zinc/11/37/58/436113758.db2.gz SJTFMQQKENBNQW-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+]C2(CN(C)C)CCC2)C1 ZINC000377388294 301346171 /nfs/dbraw/zinc/34/61/71/301346171.db2.gz DLTCOLMXICHTLH-MRXNPFEDSA-N 1 3 340.512 0.533 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)[C@]2(CCOC)CC[NH2+]C2)CC1 ZINC000378204000 301420079 /nfs/dbraw/zinc/42/00/79/301420079.db2.gz KENHFLUXVWDTRB-WBVHZDCISA-N 1 3 326.485 0.145 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CCSC1 ZINC000430674991 301471133 /nfs/dbraw/zinc/47/11/33/301471133.db2.gz LHWDKNRWTDICIE-HNNXBMFYSA-N 1 3 338.481 0.370 20 0 ECADHO CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[NH+](C)C ZINC000081395411 436344844 /nfs/dbraw/zinc/34/48/44/436344844.db2.gz BOIYGTJMWLEXFA-LSDHHAIUSA-N 1 3 326.485 0.489 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000081458074 436347106 /nfs/dbraw/zinc/34/71/06/436347106.db2.gz MPVTZOXGZNYGEP-INIZCTEOSA-N 1 3 338.496 0.635 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)o1 ZINC000420038115 301580218 /nfs/dbraw/zinc/58/02/18/301580218.db2.gz VXZFESLFYTWAGR-HNNXBMFYSA-N 1 3 336.436 0.332 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])N1CCC(C)CC1 ZINC000516491897 301667810 /nfs/dbraw/zinc/66/78/10/301667810.db2.gz CLROCHKHKKOSDK-HNNXBMFYSA-N 1 3 326.485 0.666 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)NCCCCC[NH+]3CCCC3)CCN2C1=O ZINC000516664569 301676030 /nfs/dbraw/zinc/67/60/30/301676030.db2.gz KPJRXXXCBIUURK-HUUCEWRRSA-N 1 3 337.468 0.206 20 0 ECADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000519727227 301757286 /nfs/dbraw/zinc/75/72/86/301757286.db2.gz OKOOWKFZFGSLFJ-LJQANCHMSA-N 1 3 347.459 0.814 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000109168150 436623123 /nfs/dbraw/zinc/62/31/23/436623123.db2.gz TYZHFNHZACDUIM-DOTOQJQBSA-N 1 3 338.496 0.863 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000109168150 436623126 /nfs/dbraw/zinc/62/31/26/436623126.db2.gz TYZHFNHZACDUIM-DOTOQJQBSA-N 1 3 338.496 0.863 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000120087064 436678745 /nfs/dbraw/zinc/67/87/45/436678745.db2.gz GYVGNTUDJBZZFE-UHFFFAOYSA-N 1 3 339.415 0.882 20 0 ECADHO NC1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000122108858 436731822 /nfs/dbraw/zinc/73/18/22/436731822.db2.gz NFFCVQLYAWWRQT-HUUCEWRRSA-N 1 3 336.480 0.755 20 0 ECADHO CC1CC[NH+](CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000153014670 436745906 /nfs/dbraw/zinc/74/59/06/436745906.db2.gz IBTWXVNQZPWUEG-INIZCTEOSA-N 1 3 336.480 0.483 20 0 ECADHO CC1CCN(CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000153014670 436745909 /nfs/dbraw/zinc/74/59/09/436745909.db2.gz IBTWXVNQZPWUEG-INIZCTEOSA-N 1 3 336.480 0.483 20 0 ECADHO CC1CCN(CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000153014670 436745911 /nfs/dbraw/zinc/74/59/11/436745911.db2.gz IBTWXVNQZPWUEG-INIZCTEOSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC000128935743 436822346 /nfs/dbraw/zinc/82/23/46/436822346.db2.gz HWDUMSKNGIRANC-OAHLLOKOSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC000128935743 436822348 /nfs/dbraw/zinc/82/23/48/436822348.db2.gz HWDUMSKNGIRANC-OAHLLOKOSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC000128935743 436822353 /nfs/dbraw/zinc/82/23/53/436822353.db2.gz HWDUMSKNGIRANC-OAHLLOKOSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC000128935743 436822355 /nfs/dbraw/zinc/82/23/55/436822355.db2.gz HWDUMSKNGIRANC-OAHLLOKOSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC000128935743 436822358 /nfs/dbraw/zinc/82/23/58/436822358.db2.gz HWDUMSKNGIRANC-OAHLLOKOSA-N 1 3 326.485 0.678 20 0 ECADHO COCCCNC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126497064 436787255 /nfs/dbraw/zinc/78/72/55/436787255.db2.gz DIMDLPJGDZYQAA-OAHLLOKOSA-N 1 3 328.501 0.485 20 0 ECADHO C[C@@H](N[C@@H](C)CO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000127641800 436805459 /nfs/dbraw/zinc/80/54/59/436805459.db2.gz LQHDELULWCQBRM-UONOGXRCSA-N 1 3 343.493 0.948 20 0 ECADHO CC(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000130590588 436838020 /nfs/dbraw/zinc/83/80/20/436838020.db2.gz VLIDSTWPBJWRQI-UHFFFAOYSA-N 1 3 348.447 0.780 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000262306219 436922609 /nfs/dbraw/zinc/92/26/09/436922609.db2.gz AXCQIHNRXPRURK-IAGOWNOFSA-N 1 3 332.448 0.485 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262341147 436927067 /nfs/dbraw/zinc/92/70/67/436927067.db2.gz GCJMMQMJKNTJGR-ZWKOTPCHSA-N 1 3 346.475 0.163 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000133281530 436875894 /nfs/dbraw/zinc/87/58/94/436875894.db2.gz HDNFNTUWNPBFFU-UHFFFAOYSA-N 1 3 347.525 0.893 20 0 ECADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261545867 436878864 /nfs/dbraw/zinc/87/88/64/436878864.db2.gz LERZLXGZUZZNRV-AEFFLSMTSA-N 1 3 346.475 0.867 20 0 ECADHO CSCC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000167215644 436939467 /nfs/dbraw/zinc/93/94/67/436939467.db2.gz HMJGZAWKRIBNMS-CHWSQXEVSA-N 1 3 330.498 0.126 20 0 ECADHO C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)N(C)C1CC1 ZINC000303987644 437157472 /nfs/dbraw/zinc/15/74/72/437157472.db2.gz JIGQLQOETXXPTL-ZBFHGGJFSA-N 1 3 326.485 0.861 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC000175794923 437119283 /nfs/dbraw/zinc/11/92/83/437119283.db2.gz XCGDWMGLNUATNI-BRWVUGGUSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC000175794923 437119288 /nfs/dbraw/zinc/11/92/88/437119288.db2.gz XCGDWMGLNUATNI-BRWVUGGUSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000331569111 437122249 /nfs/dbraw/zinc/12/22/49/437122249.db2.gz VBERDIKOECXWNS-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000331569111 437122253 /nfs/dbraw/zinc/12/22/53/437122253.db2.gz VBERDIKOECXWNS-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCC[NH2+]C1 ZINC000331628603 437134045 /nfs/dbraw/zinc/13/40/45/437134045.db2.gz LOUCAQOIXGPUPH-MAUKXSAKSA-N 1 3 336.480 0.579 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000332046821 437199473 /nfs/dbraw/zinc/19/94/73/437199473.db2.gz KUQMMAOICKTYLW-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423225844 303531904 /nfs/dbraw/zinc/53/19/04/303531904.db2.gz OLCYEUJUOOLCSC-ULQDDVLXSA-N 1 3 348.491 0.531 20 0 ECADHO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCCN2CCN(C)CC2)C1(C)C ZINC000323165105 437221631 /nfs/dbraw/zinc/22/16/31/437221631.db2.gz KMFDKQZBCJIJNS-YOEHRIQHSA-N 1 3 326.485 0.273 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333815584 437287884 /nfs/dbraw/zinc/28/78/84/437287884.db2.gz KAPKIYFPHVUTIN-CABCVRRESA-N 1 3 337.468 0.077 20 0 ECADHO CC1CC[NH+](CCNC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000182334848 437346826 /nfs/dbraw/zinc/34/68/26/437346826.db2.gz FWCJPSLHYKDXCZ-UHFFFAOYSA-N 1 3 339.528 0.997 20 0 ECADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CSCN1 ZINC000269243918 437473983 /nfs/dbraw/zinc/47/39/83/437473983.db2.gz CPYZJEVAGQDHMJ-OAHLLOKOSA-N 1 3 335.477 0.372 20 0 ECADHO CN1CCC(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000339636687 437481719 /nfs/dbraw/zinc/48/17/19/437481719.db2.gz RBRIXVTXPMBQGO-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCC(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000339636687 437481720 /nfs/dbraw/zinc/48/17/20/437481720.db2.gz RBRIXVTXPMBQGO-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000289941369 437451355 /nfs/dbraw/zinc/45/13/55/437451355.db2.gz OSJFKCXMVLHVKH-OAHLLOKOSA-N 1 3 333.432 0.482 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000339670759 437487590 /nfs/dbraw/zinc/48/75/90/437487590.db2.gz RIDJCIQSPMMHAT-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CC(C)C[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000186020719 437458703 /nfs/dbraw/zinc/45/87/03/437458703.db2.gz CXBFYEBCHFDKTF-HOTGVXAUSA-N 1 3 340.512 0.785 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CC(C)C[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000186020719 437458707 /nfs/dbraw/zinc/45/87/07/437458707.db2.gz CXBFYEBCHFDKTF-HOTGVXAUSA-N 1 3 340.512 0.785 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000339669171 437487717 /nfs/dbraw/zinc/48/77/17/437487717.db2.gz BPAHQMPWEUQQDT-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(NC1CCN(C2CC2)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000339964698 437532295 /nfs/dbraw/zinc/53/22/95/437532295.db2.gz KZBILSNXAIRXJG-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000360160716 437541480 /nfs/dbraw/zinc/54/14/80/437541480.db2.gz FESKYHQAVCUPBT-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000360160716 437541484 /nfs/dbraw/zinc/54/14/84/437541484.db2.gz FESKYHQAVCUPBT-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CN(C)CCOCCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000360273980 437572475 /nfs/dbraw/zinc/57/24/75/437572475.db2.gz VTMGFFVOWSKEBF-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO CN(C)CCOCCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000360273980 437572479 /nfs/dbraw/zinc/57/24/79/437572479.db2.gz VTMGFFVOWSKEBF-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO CN1CCC(CNC(=O)[C@H]2C[C@H](F)CN2)([NH+]2CCCCC2)CC1 ZINC000188799379 437572510 /nfs/dbraw/zinc/57/25/10/437572510.db2.gz GTQLXUFLIOHMEQ-LSDHHAIUSA-N 1 3 326.460 0.753 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340479082 437657414 /nfs/dbraw/zinc/65/74/14/437657414.db2.gz OYKBKDZRBPCRQA-YVSFHVDLSA-N 1 3 348.491 0.815 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340479082 437657417 /nfs/dbraw/zinc/65/74/17/437657417.db2.gz OYKBKDZRBPCRQA-YVSFHVDLSA-N 1 3 348.491 0.815 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000340478541 437657899 /nfs/dbraw/zinc/65/78/99/437657899.db2.gz KNHYGBAHTSWKIR-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000340478541 437657908 /nfs/dbraw/zinc/65/79/08/437657908.db2.gz KNHYGBAHTSWKIR-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340479080 437658633 /nfs/dbraw/zinc/65/86/33/437658633.db2.gz OYKBKDZRBPCRQA-VQHPVUNQSA-N 1 3 348.491 0.815 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340479080 437658636 /nfs/dbraw/zinc/65/86/36/437658636.db2.gz OYKBKDZRBPCRQA-VQHPVUNQSA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340509478 437676069 /nfs/dbraw/zinc/67/60/69/437676069.db2.gz RBQDTVZYLAWVBB-HNNXBMFYSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340509478 437676076 /nfs/dbraw/zinc/67/60/76/437676076.db2.gz RBQDTVZYLAWVBB-HNNXBMFYSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](CNC(=O)CCC(C)(C)C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000362936737 437762877 /nfs/dbraw/zinc/76/28/77/437762877.db2.gz YAHGWMSCYXLOQU-KGLIPLIRSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](CNC(=O)CCC(C)(C)C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000362936737 437762880 /nfs/dbraw/zinc/76/28/80/437762880.db2.gz YAHGWMSCYXLOQU-KGLIPLIRSA-N 1 3 328.501 0.925 20 0 ECADHO CN(C)[C@@]1(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CCSC1 ZINC000362218554 437724362 /nfs/dbraw/zinc/72/43/62/437724362.db2.gz LYVCNNJGOPPHTF-OAHLLOKOSA-N 1 3 340.497 1.004 20 0 ECADHO CC(C)OCCN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000362568852 437744760 /nfs/dbraw/zinc/74/47/60/437744760.db2.gz MENUZRVODSBEJL-AWEZNQCLSA-N 1 3 335.452 0.669 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340824387 437745606 /nfs/dbraw/zinc/74/56/06/437745606.db2.gz NGQOUVUGRFFRAU-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340824387 437745609 /nfs/dbraw/zinc/74/56/09/437745609.db2.gz NGQOUVUGRFFRAU-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000423759440 437826490 /nfs/dbraw/zinc/82/64/90/437826490.db2.gz PDRRHJQMZRFXLT-LSDHHAIUSA-N 1 3 325.453 0.766 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000423617131 437780602 /nfs/dbraw/zinc/78/06/02/437780602.db2.gz GKADBTHSKQGEPV-CRAIPNDOSA-N 1 3 338.496 0.763 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415605832 437828922 /nfs/dbraw/zinc/82/89/22/437828922.db2.gz QYNCPYDNYHJURG-LJQANCHMSA-N 1 3 344.459 0.941 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000415377135 437794382 /nfs/dbraw/zinc/79/43/82/437794382.db2.gz ZWSRNDRWOFAQDA-ZDUSSCGKSA-N 1 3 334.420 0.434 20 0 ECADHO CCCN(C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423670075 437796562 /nfs/dbraw/zinc/79/65/62/437796562.db2.gz YWYZSCVPKRHNNJ-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C2CCCCC2)CC1 ZINC000423714806 437809436 /nfs/dbraw/zinc/80/94/36/437809436.db2.gz SWHVQSRPAWLWDA-MRXNPFEDSA-N 1 3 336.480 0.722 20 0 ECADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000341188382 437812197 /nfs/dbraw/zinc/81/21/97/437812197.db2.gz DAAQQRYIWJRESU-BZUAXINKSA-N 1 3 326.485 0.861 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCN1C ZINC000341203591 437814359 /nfs/dbraw/zinc/81/43/59/437814359.db2.gz OPASFDSYIZIAEQ-GJZGRUSLSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCN1C ZINC000341203591 437814364 /nfs/dbraw/zinc/81/43/64/437814364.db2.gz OPASFDSYIZIAEQ-GJZGRUSLSA-N 1 3 326.485 0.957 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000365183995 437869538 /nfs/dbraw/zinc/86/95/38/437869538.db2.gz YYWIZPVTCQDCRY-QWHCGFSZSA-N 1 3 336.484 0.470 20 0 ECADHO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@@H](C)CN)cc1 ZINC000415647710 437835582 /nfs/dbraw/zinc/83/55/82/437835582.db2.gz FVHAOURIKQYJIG-ZDUSSCGKSA-N 1 3 336.436 0.809 20 0 ECADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)c2)CC1 ZINC000423842163 437840833 /nfs/dbraw/zinc/84/08/33/437840833.db2.gz JZBNBMOCMKRTBK-DLBZAZTESA-N 1 3 332.448 0.878 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000341394080 437841115 /nfs/dbraw/zinc/84/11/15/437841115.db2.gz SGTNNDFSSUTCFS-OAHLLOKOSA-N 1 3 335.452 0.915 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000415692590 437841504 /nfs/dbraw/zinc/84/15/04/437841504.db2.gz ORUHMGVZEYSKNM-GOSISDBHSA-N 1 3 348.447 0.763 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(OCCN(C)C)c1 ZINC000415746435 437852517 /nfs/dbraw/zinc/85/25/17/437852517.db2.gz OWUHRYWRGJDKAI-KBPBESRZSA-N 1 3 348.447 0.822 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415781537 437858816 /nfs/dbraw/zinc/85/88/16/437858816.db2.gz FPCBQGWSFLKMME-NSHDSACASA-N 1 3 340.399 0.558 20 0 ECADHO CCOCCNC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426438 437933947 /nfs/dbraw/zinc/93/39/47/437933947.db2.gz XLIOSFGVWHWGAM-INIZCTEOSA-N 1 3 326.485 0.239 20 0 ECADHO [NH3+]C1(CNC(=O)COC2CNC2)CCN(Cc2ccccc2)CC1 ZINC000424035071 437881046 /nfs/dbraw/zinc/88/10/46/437881046.db2.gz DTBJJMIWIDTWTR-UHFFFAOYSA-N 1 3 332.448 0.085 20 0 ECADHO [NH3+][C@H]1CCc2ncc(NC(=O)NC[C@@H]3CCCCN3CCO)cc2C1 ZINC000415967501 437882649 /nfs/dbraw/zinc/88/26/49/437882649.db2.gz WTMJRPUWSGYEKC-HOCLYGCPSA-N 1 3 347.463 0.866 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000424442345 437934279 /nfs/dbraw/zinc/93/42/79/437934279.db2.gz CCDOGBABFWRTAN-MRXNPFEDSA-N 1 3 348.447 0.355 20 0 ECADHO CS[C@@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[C@@H]1N(C)C ZINC000416026614 437885931 /nfs/dbraw/zinc/88/59/31/437885931.db2.gz IAWOUNYFFBYTQR-AEJSXWLSSA-N 1 3 328.404 0.953 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000341999665 437938308 /nfs/dbraw/zinc/93/83/08/437938308.db2.gz HWSFNVMSNWWLNC-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO COCCN(C)CCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417085965 438022524 /nfs/dbraw/zinc/02/25/24/438022524.db2.gz BWNAZMQAUYYJHA-MRXNPFEDSA-N 1 3 326.485 0.986 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2CNCCO2)c1 ZINC000416975761 438011725 /nfs/dbraw/zinc/01/17/25/438011725.db2.gz OMZFZSNGZAQMNV-MRXNPFEDSA-N 1 3 336.436 0.415 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000416974008 438011924 /nfs/dbraw/zinc/01/19/24/438011924.db2.gz KPDUAOFGGICZID-HNNXBMFYSA-N 1 3 325.501 0.701 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH3+])CCO ZINC000417837130 438082688 /nfs/dbraw/zinc/08/26/88/438082688.db2.gz XJERERUBDGEYAE-RDJZCZTQSA-N 1 3 334.464 0.860 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417949554 438093727 /nfs/dbraw/zinc/09/37/27/438093727.db2.gz KMUSIJUNRAFILB-DZGCQCFKSA-N 1 3 335.452 0.819 20 0 ECADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000417951846 438093885 /nfs/dbraw/zinc/09/38/85/438093885.db2.gz NMKQWJVHXKDNTF-UONOGXRCSA-N 1 3 335.452 0.914 20 0 ECADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417982191 438096551 /nfs/dbraw/zinc/09/65/51/438096551.db2.gz BGCSTMFQPWRIDO-JQFCIGGWSA-N 1 3 332.448 0.884 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000348768615 438096596 /nfs/dbraw/zinc/09/65/96/438096596.db2.gz CLUQSEGXGRUBCT-HNNXBMFYSA-N 1 3 338.496 0.943 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417439480 438051299 /nfs/dbraw/zinc/05/12/99/438051299.db2.gz LVRCJMPRPGEZER-HNNXBMFYSA-N 1 3 326.485 0.984 20 0 ECADHO CN(CCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000417623295 438064384 /nfs/dbraw/zinc/06/43/84/438064384.db2.gz IMMYCEQQTOIZDL-AWEZNQCLSA-N 1 3 325.457 0.110 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000417743445 438073859 /nfs/dbraw/zinc/07/38/59/438073859.db2.gz CBFMSRBWRHVKJG-BZUAXINKSA-N 1 3 325.501 0.687 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000417743449 438074226 /nfs/dbraw/zinc/07/42/26/438074226.db2.gz CBFMSRBWRHVKJG-OAGGEKHMSA-N 1 3 325.501 0.687 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427048879 438075575 /nfs/dbraw/zinc/07/55/75/438075575.db2.gz JUDWADLCFVZIHG-JKSUJKDBSA-N 1 3 334.464 0.378 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427048879 438075579 /nfs/dbraw/zinc/07/55/79/438075579.db2.gz JUDWADLCFVZIHG-JKSUJKDBSA-N 1 3 334.464 0.378 20 0 ECADHO COCCCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372367661 438078822 /nfs/dbraw/zinc/07/88/22/438078822.db2.gz HDAUPIVBBFXNAU-WBVHZDCISA-N 1 3 340.512 0.628 20 0 ECADHO COC[C@]1(CNC(=O)NCCCN2CCCO[C@H](C)C2)CCC[NH2+]1 ZINC000418113210 438108400 /nfs/dbraw/zinc/10/84/00/438108400.db2.gz JEJWEYMBUXQWPC-NVXWUHKLSA-N 1 3 342.484 0.555 20 0 ECADHO C[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)N1CCN(C)CC1 ZINC000358028946 438127491 /nfs/dbraw/zinc/12/74/91/438127491.db2.gz PVTDNJRZJLFTAP-MRXNPFEDSA-N 1 3 339.528 0.012 20 0 ECADHO C[C@@H](NC(=O)NC[C@@H](O)CN1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418307662 438128410 /nfs/dbraw/zinc/12/84/10/438128410.db2.gz DSUWCNHXTACDDL-OWCLPIDISA-N 1 3 326.485 0.767 20 0 ECADHO O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)NC1CC[NH2+]CC1 ZINC000418308783 438129149 /nfs/dbraw/zinc/12/91/49/438129149.db2.gz MYOBAODPPXLHKS-GOSISDBHSA-N 1 3 332.448 0.675 20 0 ECADHO COC[C@@]1(CNC(=O)NCCCNCc2cccnc2)CCC[NH2+]1 ZINC000418326260 438131008 /nfs/dbraw/zinc/13/10/08/438131008.db2.gz JWWRSRNYYYZNRO-KRWDZBQOSA-N 1 3 335.452 0.629 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418373447 438136453 /nfs/dbraw/zinc/13/64/53/438136453.db2.gz BUYXIMOEDFXSOR-AEFFLSMTSA-N 1 3 334.464 0.906 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000358094634 438148017 /nfs/dbraw/zinc/14/80/17/438148017.db2.gz KBXWPWWZFPHGKB-HOTGVXAUSA-N 1 3 347.525 0.749 20 0 ECADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000349758131 438177275 /nfs/dbraw/zinc/17/72/75/438177275.db2.gz MDMZBWFCKUMKBM-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000349758131 438177280 /nfs/dbraw/zinc/17/72/80/438177280.db2.gz MDMZBWFCKUMKBM-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)F)CCN1C1CCN(C)CC1 ZINC000418742434 438181267 /nfs/dbraw/zinc/18/12/67/438181267.db2.gz RCRPLPYUGRGDPG-JSGCOSHPSA-N 1 3 347.454 0.779 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418574274 438161937 /nfs/dbraw/zinc/16/19/37/438161937.db2.gz GDZZDGHDNQDSEQ-LSDHHAIUSA-N 1 3 325.501 0.972 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418854509 438219215 /nfs/dbraw/zinc/21/92/15/438219215.db2.gz TYLIGAWBHILXFV-DJIMGWMZSA-N 1 3 346.475 0.390 20 0 ECADHO C[C@H](CNC(=O)C1CCC(C(=O)NC[C@H](C)N(C)C)CC1)[NH+](C)C ZINC000350559512 438219878 /nfs/dbraw/zinc/21/98/78/438219878.db2.gz DSZJFBFVRMDRNP-PJPHBNEVSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CNC(=O)C1CCC(C(=O)NC[C@H](C)[NH+](C)C)CC1)N(C)C ZINC000350559512 438219886 /nfs/dbraw/zinc/21/98/86/438219886.db2.gz DSZJFBFVRMDRNP-PJPHBNEVSA-N 1 3 340.512 0.925 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433401587 438245695 /nfs/dbraw/zinc/24/56/95/438245695.db2.gz YTFABNDWUMCUBD-UKRRQHHQSA-N 1 3 332.452 0.949 20 0 ECADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000418909476 438246507 /nfs/dbraw/zinc/24/65/07/438246507.db2.gz JETGFLQHUXKZNO-TZMCWYRMSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433501257 438255087 /nfs/dbraw/zinc/25/50/87/438255087.db2.gz ZMEVLMZJKKKNJY-CVEARBPZSA-N 1 3 346.479 0.717 20 0 ECADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433501257 438255091 /nfs/dbraw/zinc/25/50/91/438255091.db2.gz ZMEVLMZJKKKNJY-CVEARBPZSA-N 1 3 346.479 0.717 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418957006 438263913 /nfs/dbraw/zinc/26/39/13/438263913.db2.gz DAHPABXLHWQABX-CABCVRRESA-N 1 3 334.464 0.595 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351445650 438264446 /nfs/dbraw/zinc/26/44/46/438264446.db2.gz RHNIAIPJKUGCCY-IIAWOOMASA-N 1 3 327.469 0.305 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351445650 438264449 /nfs/dbraw/zinc/26/44/49/438264449.db2.gz RHNIAIPJKUGCCY-IIAWOOMASA-N 1 3 327.469 0.305 20 0 ECADHO C[N@H+](CCCS(N)(=O)=O)CC1CCN(c2ccncc2)CC1 ZINC000367903624 438265476 /nfs/dbraw/zinc/26/54/76/438265476.db2.gz LMYHDFPYHUKGCE-UHFFFAOYSA-N 1 3 326.466 0.908 20 0 ECADHO C[N@@H+](CCCS(N)(=O)=O)CC1CCN(c2ccncc2)CC1 ZINC000367903624 438265479 /nfs/dbraw/zinc/26/54/79/438265479.db2.gz LMYHDFPYHUKGCE-UHFFFAOYSA-N 1 3 326.466 0.908 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418992412 438275980 /nfs/dbraw/zinc/27/59/80/438275980.db2.gz FWPSPEQSQWMUQY-KGLIPLIRSA-N 1 3 340.468 0.208 20 0 ECADHO CCc1ccc([C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000351554487 438287230 /nfs/dbraw/zinc/28/72/30/438287230.db2.gz IPWQMAIWLFUZOH-SJORKVTESA-N 1 3 346.475 0.836 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419022305 438292208 /nfs/dbraw/zinc/29/22/08/438292208.db2.gz ICNFDDJNRLRKQM-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO CCOC(=O)[C@@](C)(O)CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368361199 438319770 /nfs/dbraw/zinc/31/97/70/438319770.db2.gz MIBXVCRKYABSBF-RDJZCZTQSA-N 1 3 327.469 0.401 20 0 ECADHO CCOC(=O)[C@@](C)(O)CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368361199 438319772 /nfs/dbraw/zinc/31/97/72/438319772.db2.gz MIBXVCRKYABSBF-RDJZCZTQSA-N 1 3 327.469 0.401 20 0 ECADHO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000419115112 438329739 /nfs/dbraw/zinc/32/97/39/438329739.db2.gz NIRNNTIBSUKGRQ-UHFFFAOYSA-N 1 3 344.459 0.717 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419127011 438333790 /nfs/dbraw/zinc/33/37/90/438333790.db2.gz YYBXOZRUGROTJQ-CVEARBPZSA-N 1 3 338.496 0.873 20 0 ECADHO CCN1CCN(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000368213385 438301985 /nfs/dbraw/zinc/30/19/85/438301985.db2.gz AHPWSLYVJSSUNF-QGZVFWFLSA-N 1 3 328.476 0.953 20 0 ECADHO CCN1CCN(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000368213385 438301990 /nfs/dbraw/zinc/30/19/90/438301990.db2.gz AHPWSLYVJSSUNF-QGZVFWFLSA-N 1 3 328.476 0.953 20 0 ECADHO CCN1CCN(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368213385 438301994 /nfs/dbraw/zinc/30/19/94/438301994.db2.gz AHPWSLYVJSSUNF-QGZVFWFLSA-N 1 3 328.476 0.953 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)CC1 ZINC000419047913 438305499 /nfs/dbraw/zinc/30/54/99/438305499.db2.gz ULMJTZHVUZOQHL-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)C(C)(C)C[NH+](C)C ZINC000358829912 438310827 /nfs/dbraw/zinc/31/08/27/438310827.db2.gz QEOYDSRJXQHDQM-ZDUSSCGKSA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCCNCC1)[NH+]1CCC(C)CC1 ZINC000419367878 438355217 /nfs/dbraw/zinc/35/52/17/438355217.db2.gz DWSXXWAEAZFMDP-MRXNPFEDSA-N 1 3 338.496 0.681 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391027443 438435374 /nfs/dbraw/zinc/43/53/74/438435374.db2.gz SWJRSGLYRLRWLU-DLBZAZTESA-N 1 3 335.448 0.758 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391027450 438436593 /nfs/dbraw/zinc/43/65/93/438436593.db2.gz SWJRSGLYRLRWLU-IRXDYDNUSA-N 1 3 335.448 0.758 20 0 ECADHO C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)CN1CCN(C)CC1 ZINC000420806908 438441996 /nfs/dbraw/zinc/44/19/96/438441996.db2.gz PYSHXMVQTSEGNI-JKSUJKDBSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)CN1CCN(C)CC1 ZINC000420806908 438442000 /nfs/dbraw/zinc/44/20/00/438442000.db2.gz PYSHXMVQTSEGNI-JKSUJKDBSA-N 1 3 325.501 0.606 20 0 ECADHO CCN(CCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000359268725 438398157 /nfs/dbraw/zinc/39/81/57/438398157.db2.gz XGEXZLDTKRIXLY-VHRNVKJDSA-N 1 3 336.480 0.718 20 0 ECADHO CCN(CCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000359268725 438398158 /nfs/dbraw/zinc/39/81/58/438398158.db2.gz XGEXZLDTKRIXLY-VHRNVKJDSA-N 1 3 336.480 0.718 20 0 ECADHO COC(=O)CCNC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378544267 438400649 /nfs/dbraw/zinc/40/06/49/438400649.db2.gz YQXWYMVLYCLHGW-UHFFFAOYSA-N 1 3 348.447 0.909 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000359271612 438400919 /nfs/dbraw/zinc/40/09/19/438400919.db2.gz LLIFLEFZMXTMSO-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000359271612 438400923 /nfs/dbraw/zinc/40/09/23/438400923.db2.gz LLIFLEFZMXTMSO-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000359272968 438400954 /nfs/dbraw/zinc/40/09/54/438400954.db2.gz MUWCAFSGEZUVDC-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000359272968 438400960 /nfs/dbraw/zinc/40/09/60/438400960.db2.gz MUWCAFSGEZUVDC-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000369401406 438467079 /nfs/dbraw/zinc/46/70/79/438467079.db2.gz MLXLPHWDZUBNCE-CVEARBPZSA-N 1 3 325.501 0.748 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000421517126 438490412 /nfs/dbraw/zinc/49/04/12/438490412.db2.gz NNFKPZGDENGPPG-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000421517126 438490418 /nfs/dbraw/zinc/49/04/18/438490418.db2.gz NNFKPZGDENGPPG-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000421559162 438492206 /nfs/dbraw/zinc/49/22/06/438492206.db2.gz OEQURUSHJDDAGL-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000421559162 438492209 /nfs/dbraw/zinc/49/22/09/438492209.db2.gz OEQURUSHJDDAGL-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000369581752 438492883 /nfs/dbraw/zinc/49/28/83/438492883.db2.gz HCUSQTAKKMQLFC-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000369581752 438492886 /nfs/dbraw/zinc/49/28/86/438492886.db2.gz HCUSQTAKKMQLFC-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2=CCN(C)CC2)CC1=O ZINC000369744194 438510241 /nfs/dbraw/zinc/51/02/41/438510241.db2.gz DRFUYLPNYJAESX-SJORKVTESA-N 1 3 348.491 0.697 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2=CCN(C)CC2)CC1=O ZINC000369744194 438510244 /nfs/dbraw/zinc/51/02/44/438510244.db2.gz DRFUYLPNYJAESX-SJORKVTESA-N 1 3 348.491 0.697 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422283883 438544140 /nfs/dbraw/zinc/54/41/40/438544140.db2.gz ODCSJCAELWNSLT-HNNXBMFYSA-N 1 3 326.485 0.683 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422283883 438544142 /nfs/dbraw/zinc/54/41/42/438544142.db2.gz ODCSJCAELWNSLT-HNNXBMFYSA-N 1 3 326.485 0.683 20 0 ECADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422323799 438552300 /nfs/dbraw/zinc/55/23/00/438552300.db2.gz GVTHUIOVAKJVAY-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422323799 438552303 /nfs/dbraw/zinc/55/23/03/438552303.db2.gz GVTHUIOVAKJVAY-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410432188 438584278 /nfs/dbraw/zinc/58/42/78/438584278.db2.gz JJKBBZYUWGWHMO-MRXNPFEDSA-N 1 3 336.480 0.485 20 0 ECADHO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422908899 438615294 /nfs/dbraw/zinc/61/52/94/438615294.db2.gz DVFBZLXRFUZAPP-YJBOKZPZSA-N 1 3 348.491 0.835 20 0 ECADHO O=C(NCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccn[nH]1 ZINC000423043031 438631776 /nfs/dbraw/zinc/63/17/76/438631776.db2.gz NAYJPMWHCIESHV-YJBOKZPZSA-N 1 3 341.415 0.985 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423133274 438640721 /nfs/dbraw/zinc/64/07/21/438640721.db2.gz QALJUAADEMRYIR-HNNXBMFYSA-N 1 3 326.485 0.620 20 0 ECADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423207920 438648540 /nfs/dbraw/zinc/64/85/40/438648540.db2.gz SMABLNLEBADREF-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423197788 438648843 /nfs/dbraw/zinc/64/88/43/438648843.db2.gz BEFBPYRQEIMKOC-INIZCTEOSA-N 1 3 344.459 0.669 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000410741599 438650201 /nfs/dbraw/zinc/65/02/01/438650201.db2.gz QQYPGYCALATRMR-UHFFFAOYSA-N 1 3 336.480 0.626 20 0 ECADHO COC[C@@]1(C(=O)NCc2cccc(OCCN(C)C)c2)CC[NH2+]C1 ZINC000423327278 438662327 /nfs/dbraw/zinc/66/23/27/438662327.db2.gz KAJIULLJOTWQGI-GOSISDBHSA-N 1 3 335.448 0.869 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423369864 438666807 /nfs/dbraw/zinc/66/68/07/438666807.db2.gz PCGBLSWHIMYGMV-GJZGRUSLSA-N 1 3 348.447 0.238 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000423377690 438667522 /nfs/dbraw/zinc/66/75/22/438667522.db2.gz WDBPALVGFJTSIO-CYBMUJFWSA-N 1 3 338.477 0.459 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)C1)N(C)C ZINC000411371653 438676068 /nfs/dbraw/zinc/67/60/68/438676068.db2.gz APBXJQIZUKLZHR-ZQDZILKHSA-N 1 3 326.485 0.535 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)C1)N(C)C ZINC000411371653 438676071 /nfs/dbraw/zinc/67/60/71/438676071.db2.gz APBXJQIZUKLZHR-ZQDZILKHSA-N 1 3 326.485 0.535 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000410801509 438659288 /nfs/dbraw/zinc/65/92/88/438659288.db2.gz MGIIBBISLCTUKJ-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO COc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1O ZINC000414653375 438714131 /nfs/dbraw/zinc/71/41/31/438714131.db2.gz IDTFCGVZGROOJV-ZDUSSCGKSA-N 1 3 337.420 0.696 20 0 ECADHO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414703140 438715428 /nfs/dbraw/zinc/71/54/28/438715428.db2.gz XSLXKDGZLAYGAS-HOTGVXAUSA-N 1 3 338.496 0.812 20 0 ECADHO CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414703140 438715431 /nfs/dbraw/zinc/71/54/31/438715431.db2.gz XSLXKDGZLAYGAS-HOTGVXAUSA-N 1 3 338.496 0.812 20 0 ECADHO Cc1ccc(NC(=O)NCCN2CC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000415204731 438737724 /nfs/dbraw/zinc/73/77/24/438737724.db2.gz OPPDNHVQPNNJRW-UHFFFAOYSA-N 1 3 349.479 0.962 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000576373690 438779291 /nfs/dbraw/zinc/77/92/91/438779291.db2.gz MYVRXSBRTPYRRJ-NXHRZFHOSA-N 1 3 344.459 0.757 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000577386959 438837722 /nfs/dbraw/zinc/83/77/22/438837722.db2.gz XBGMBTNEJBJGRR-DZGCQCFKSA-N 1 3 334.420 0.794 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C(=O)NC)C3)CC2)CC1 ZINC000516192465 438898521 /nfs/dbraw/zinc/89/85/21/438898521.db2.gz BEUUXSBEBGBRFE-UHFFFAOYSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000516345625 438902805 /nfs/dbraw/zinc/90/28/05/438902805.db2.gz HFHNRZKNOHSYKG-VDERGJSUSA-N 1 3 334.464 0.280 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000516345625 438902808 /nfs/dbraw/zinc/90/28/08/438902808.db2.gz HFHNRZKNOHSYKG-VDERGJSUSA-N 1 3 334.464 0.280 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000515233280 438858014 /nfs/dbraw/zinc/85/80/14/438858014.db2.gz UHRIXFKVJDNSJW-QXSJWSMHSA-N 1 3 334.464 0.140 20 0 ECADHO O=C(NC1CC(N2CCCCC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000564941833 438893378 /nfs/dbraw/zinc/89/33/78/438893378.db2.gz HXSOJDBMXGWOKV-UHFFFAOYSA-N 1 3 332.452 0.949 20 0 ECADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000516771370 438925393 /nfs/dbraw/zinc/92/53/93/438925393.db2.gz JXNGGEJNIKCDSK-OFQRWUPVSA-N 1 3 332.452 0.586 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)N(C)C ZINC000459034397 438940133 /nfs/dbraw/zinc/94/01/33/438940133.db2.gz CWJVOTGBCAEPIU-JKSUJKDBSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)N(C)C ZINC000459034397 438940136 /nfs/dbraw/zinc/94/01/36/438940136.db2.gz CWJVOTGBCAEPIU-JKSUJKDBSA-N 1 3 325.501 0.748 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000517102710 438949381 /nfs/dbraw/zinc/94/93/81/438949381.db2.gz BIAOKLZVYBFGHY-AWEZNQCLSA-N 1 3 326.485 0.953 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)C(=O)N(C)CCC[NH+](C)C)CCCO1 ZINC000579048944 438975714 /nfs/dbraw/zinc/97/57/14/438975714.db2.gz DHXFJNYZEGRXJJ-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C(C)(C)C ZINC000579093701 438979336 /nfs/dbraw/zinc/97/93/36/438979336.db2.gz DIGVZVIMOIONNF-CQSZACIVSA-N 1 3 328.501 0.879 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000519777156 439062530 /nfs/dbraw/zinc/06/25/30/439062530.db2.gz YFPLMAMKAQDWAL-CYBMUJFWSA-N 1 3 329.470 0.044 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C[C@H]1C[NH3+] ZINC000579580911 439020349 /nfs/dbraw/zinc/02/03/49/439020349.db2.gz BHYSSEFQXHYNBW-IIDMSEBBSA-N 1 3 336.480 0.374 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000579589633 439023191 /nfs/dbraw/zinc/02/31/91/439023191.db2.gz JHZPOQRIDIMEBU-ZIAGYGMSSA-N 1 3 325.457 0.062 20 0 ECADHO CCOC(=O)C1([C@H](C)NCC(=O)NC2CCCC2)CC[NH2+]CC1 ZINC000591570368 439023673 /nfs/dbraw/zinc/02/36/73/439023673.db2.gz HCBPNQNKJOJIOK-ZDUSSCGKSA-N 1 3 325.453 0.956 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000566236684 439029924 /nfs/dbraw/zinc/02/99/24/439029924.db2.gz INAMSNQTXNJODY-OFQRWUPVSA-N 1 3 334.464 0.518 20 0 ECADHO CN(C)Cc1ccc(C[NH2+]C[C@H](O)CN2CCN(C)CC2)cc1F ZINC000519386450 439030082 /nfs/dbraw/zinc/03/00/82/439030082.db2.gz VFMVLHUJODZDQR-KRWDZBQOSA-N 1 3 338.471 0.585 20 0 ECADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000521044954 439103892 /nfs/dbraw/zinc/10/38/92/439103892.db2.gz CXGREQSRFZNTDY-WMLDXEAASA-N 1 3 344.459 0.481 20 0 ECADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)C1 ZINC000567406946 439139820 /nfs/dbraw/zinc/13/98/20/439139820.db2.gz XJHAOXYQUUXLKS-IAGOWNOFSA-N 1 3 338.496 0.370 20 0 ECADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)C1 ZINC000567406946 439139825 /nfs/dbraw/zinc/13/98/25/439139825.db2.gz XJHAOXYQUUXLKS-IAGOWNOFSA-N 1 3 338.496 0.370 20 0 ECADHO COC(=O)C1CCN(C(=O)CN2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000602878068 439150883 /nfs/dbraw/zinc/15/08/83/439150883.db2.gz TWQFMAUFOZKSSA-UHFFFAOYSA-N 1 3 337.464 0.816 20 0 ECADHO C[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)CN1CCN(C)CC1 ZINC000581069583 439164933 /nfs/dbraw/zinc/16/49/33/439164933.db2.gz JOLBGXDISQPIJY-RDJZCZTQSA-N 1 3 348.495 0.421 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000568117829 439214835 /nfs/dbraw/zinc/21/48/35/439214835.db2.gz OEJHBOGDYHKPIF-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(OCCN(C)C)cc1 ZINC000592434068 439227727 /nfs/dbraw/zinc/22/77/27/439227727.db2.gz DCCDCQSXWDBYAZ-KRWDZBQOSA-N 1 3 335.448 0.964 20 0 ECADHO [NH3+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000581661209 439238111 /nfs/dbraw/zinc/23/81/11/439238111.db2.gz AFAVKEFFWHNKLH-INIZCTEOSA-N 1 3 336.480 0.661 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000581661303 439238882 /nfs/dbraw/zinc/23/88/82/439238882.db2.gz LVQZTNZVEBCCFE-IBGZPJMESA-N 1 3 348.491 0.675 20 0 ECADHO Cn1ccnc1[C@H]1CNCCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000581824906 439255658 /nfs/dbraw/zinc/25/56/58/439255658.db2.gz KNGIVYCREXGBLZ-BBWFWOEESA-N 1 3 329.448 0.297 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC2(CNC2)C1 ZINC000568609143 439260404 /nfs/dbraw/zinc/26/04/04/439260404.db2.gz XXBVOGCMBUGZRE-KRWDZBQOSA-N 1 3 344.459 0.892 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOC2(CNC2)C1 ZINC000568609143 439260408 /nfs/dbraw/zinc/26/04/08/439260408.db2.gz XXBVOGCMBUGZRE-KRWDZBQOSA-N 1 3 344.459 0.892 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)C[C@@H]21 ZINC000581937890 439266894 /nfs/dbraw/zinc/26/68/94/439266894.db2.gz AMYHNEPJYBLVGN-CABCVRRESA-N 1 3 334.464 0.141 20 0 ECADHO CCN1CCN(CCC(=O)N2CCNC[C@@H]2c2ccncc2)CC1 ZINC000582304333 439316868 /nfs/dbraw/zinc/31/68/68/439316868.db2.gz JYZYAAUTFQNFHQ-QGZVFWFLSA-N 1 3 331.464 0.582 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCNC[C@@H]2c2ccncc2)CC1 ZINC000582304333 439316871 /nfs/dbraw/zinc/31/68/71/439316871.db2.gz JYZYAAUTFQNFHQ-QGZVFWFLSA-N 1 3 331.464 0.582 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604631087 439323413 /nfs/dbraw/zinc/32/34/13/439323413.db2.gz DVICZVQZLGOUGB-MRXNPFEDSA-N 1 3 325.501 0.750 20 0 ECADHO NC[C@H]1c2ccccc2CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000582548356 439350598 /nfs/dbraw/zinc/35/05/98/439350598.db2.gz WRCRYLJLVUFEHS-CVEARBPZSA-N 1 3 330.432 0.329 20 0 ECADHO O=C(C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000569711574 439357468 /nfs/dbraw/zinc/35/74/68/439357468.db2.gz SDEJUCGRCHCQBG-PMPSAXMXSA-N 1 3 334.464 0.141 20 0 ECADHO CC(C)(CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+]1CCCCC1 ZINC000582616939 439357961 /nfs/dbraw/zinc/35/79/61/439357961.db2.gz IFJARXDQYNUQOC-KBPBESRZSA-N 1 3 337.468 0.204 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000569818302 439366801 /nfs/dbraw/zinc/36/68/01/439366801.db2.gz KECQNMQNDVZPMJ-HNNXBMFYSA-N 1 3 336.480 0.707 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)CCOC)CC2)CC1 ZINC000569987310 439379322 /nfs/dbraw/zinc/37/93/22/439379322.db2.gz WCRKPWJUOISFJV-MRXNPFEDSA-N 1 3 341.496 0.696 20 0 ECADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000570278068 439406933 /nfs/dbraw/zinc/40/69/33/439406933.db2.gz KGNPXQHTLXSJHI-KRWDZBQOSA-N 1 3 341.419 0.084 20 0 ECADHO O=C(N[C@H]1CCN(C2CC2)C1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000570549299 439430304 /nfs/dbraw/zinc/43/03/04/439430304.db2.gz PBPJOSJINADUSJ-PCKAHOCUSA-N 1 3 335.496 0.739 20 0 ECADHO CN1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000570630568 439434570 /nfs/dbraw/zinc/43/45/70/439434570.db2.gz BDBINMXTZFIPRF-GOSISDBHSA-N 1 3 330.476 1.000 20 0 ECADHO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCN1CC[NH2+]CC1 ZINC000571521977 439509100 /nfs/dbraw/zinc/50/91/00/439509100.db2.gz MZUPBIYYBYMOCY-ZDUSSCGKSA-N 1 3 326.466 0.232 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000571746694 439528311 /nfs/dbraw/zinc/52/83/11/439528311.db2.gz HQRMQHFKWLNANQ-UHFFFAOYSA-N 1 3 346.475 0.318 20 0 ECADHO C[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000608692627 439534806 /nfs/dbraw/zinc/53/48/06/439534806.db2.gz FEDURWSUNBGLDO-JKSUJKDBSA-N 1 3 339.528 0.899 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000608694529 439537285 /nfs/dbraw/zinc/53/72/85/439537285.db2.gz MWAQBGFHVDAVLS-JKSUJKDBSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC000608694529 439537288 /nfs/dbraw/zinc/53/72/88/439537288.db2.gz MWAQBGFHVDAVLS-JKSUJKDBSA-N 1 3 325.501 0.796 20 0 ECADHO CN(C)C/C=C\C(=O)N[C@@H](CNC(=O)/C=C/C[NH+](C)C)C(C)(C)C ZINC000492652596 439555670 /nfs/dbraw/zinc/55/56/70/439555670.db2.gz VJXNFRWWUGEYDH-JDVXXVDXSA-N 1 3 338.496 0.869 20 0 ECADHO CN(C)C/C=C/C(=O)NC[C@H](NC(=O)/C=C\C[NH+](C)C)C(C)(C)C ZINC000492652596 439555674 /nfs/dbraw/zinc/55/56/74/439555674.db2.gz VJXNFRWWUGEYDH-JDVXXVDXSA-N 1 3 338.496 0.869 20 0 ECADHO COCCN(CCN(C)C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000571566177 439514296 /nfs/dbraw/zinc/51/42/96/439514296.db2.gz SLBLMFAANVIHOF-LJQANCHMSA-N 1 3 349.475 0.660 20 0 ECADHO COCCN(CCN(C)C)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000571566177 439514301 /nfs/dbraw/zinc/51/43/01/439514301.db2.gz SLBLMFAANVIHOF-LJQANCHMSA-N 1 3 349.475 0.660 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000571583034 439516487 /nfs/dbraw/zinc/51/64/87/439516487.db2.gz RPPZBSHSWBJKGD-UHFFFAOYSA-N 1 3 333.436 0.221 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)C[C@H]2N)cn1 ZINC000572355965 439575991 /nfs/dbraw/zinc/57/59/91/439575991.db2.gz OEGJBHGGWFUYNV-CAOSSQGBSA-N 1 3 332.452 0.244 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(=O)OC)CC2)CC1 ZINC000584788676 439617223 /nfs/dbraw/zinc/61/72/23/439617223.db2.gz PQGFMHMXDOHEAN-UHFFFAOYSA-N 1 3 325.453 0.814 20 0 ECADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000594945941 439643541 /nfs/dbraw/zinc/64/35/41/439643541.db2.gz JIBXXMZDPNGWCL-ARFHVFGLSA-N 1 3 339.480 0.570 20 0 ECADHO CC(C)[C@@H](CNC[C@H](O)CN1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000572968897 439620720 /nfs/dbraw/zinc/62/07/20/439620720.db2.gz IQESRRBRRWIKHA-RBUKOAKNSA-N 1 3 340.556 0.941 20 0 ECADHO CC(C)[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N1CCC(C)CC1 ZINC000572968897 439620724 /nfs/dbraw/zinc/62/07/24/439620724.db2.gz IQESRRBRRWIKHA-RBUKOAKNSA-N 1 3 340.556 0.941 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000574340415 439700110 /nfs/dbraw/zinc/70/01/10/439700110.db2.gz DPXBZHAJUPFVRD-ZBFHGGJFSA-N 1 3 332.448 0.225 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000574385904 439700771 /nfs/dbraw/zinc/70/07/71/439700771.db2.gz KVMBVFUVGDZLTK-LYYZXLFJSA-N 1 3 334.464 0.186 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000574385865 439700898 /nfs/dbraw/zinc/70/08/98/439700898.db2.gz GOZMSTKKRJVMFZ-JJXSEGSLSA-N 1 3 336.480 0.576 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@](C)(O)COC)CC2)CC1 ZINC000574701576 439722193 /nfs/dbraw/zinc/72/21/93/439722193.db2.gz GOFRTRXADHDVQR-GOSISDBHSA-N 1 3 341.496 0.696 20 0 ECADHO CN1CCN(CC2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)CC1 ZINC000612985661 439748120 /nfs/dbraw/zinc/74/81/20/439748120.db2.gz MDVCKBPVOBKVOU-KRWDZBQOSA-N 1 3 349.523 0.798 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000612541736 439726266 /nfs/dbraw/zinc/72/62/66/439726266.db2.gz FVKHCKFNRBZOCL-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000612547073 439726580 /nfs/dbraw/zinc/72/65/80/439726580.db2.gz ZDUXBVPVHOTHSP-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000612547073 439726582 /nfs/dbraw/zinc/72/65/82/439726582.db2.gz ZDUXBVPVHOTHSP-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000612551261 439728804 /nfs/dbraw/zinc/72/88/04/439728804.db2.gz NOGNTYVYRLOTJH-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](Cn1cncn1)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000657953348 439840343 /nfs/dbraw/zinc/84/03/43/439840343.db2.gz OHTMVIJFQGUZCA-WBVHZDCISA-N 1 3 344.463 0.545 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CCC(CC)([NH+](C)C)CC2)CC1 ZINC000636465919 439892222 /nfs/dbraw/zinc/89/22/22/439892222.db2.gz PIUQZXCLPXLDBN-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC000617506474 439898708 /nfs/dbraw/zinc/89/87/08/439898708.db2.gz ORQFKCFMLDMDQJ-WMLDXEAASA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC000617506474 439898714 /nfs/dbraw/zinc/89/87/14/439898714.db2.gz ORQFKCFMLDMDQJ-WMLDXEAASA-N 1 3 326.485 0.824 20 0 ECADHO CO[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cnn(C)c1 ZINC000617507446 439900241 /nfs/dbraw/zinc/90/02/41/439900241.db2.gz XBSVQAGKDKUQAN-ZFWWWQNUSA-N 1 3 325.457 0.496 20 0 ECADHO CO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cnn(C)c1 ZINC000617507446 439900250 /nfs/dbraw/zinc/90/02/50/439900250.db2.gz XBSVQAGKDKUQAN-ZFWWWQNUSA-N 1 3 325.457 0.496 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2c(c1)nnn2C ZINC000617506595 439901819 /nfs/dbraw/zinc/90/18/19/439901819.db2.gz SJWQOOVWOQKYMU-LBPRGKRZSA-N 1 3 333.440 0.365 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2c(c1)nnn2C ZINC000617506595 439901825 /nfs/dbraw/zinc/90/18/25/439901825.db2.gz SJWQOOVWOQKYMU-LBPRGKRZSA-N 1 3 333.440 0.365 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000652686273 439920010 /nfs/dbraw/zinc/92/00/10/439920010.db2.gz CWSHQSWEHXISHZ-ZDUSSCGKSA-N 1 3 332.448 0.621 20 0 ECADHO C[C@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000631912694 439971470 /nfs/dbraw/zinc/97/14/70/439971470.db2.gz SXAHCELSXKJQLN-ZIAGYGMSSA-N 1 3 332.514 0.625 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642330395 439973918 /nfs/dbraw/zinc/97/39/18/439973918.db2.gz FCFDMWIMYNIWEC-JKJDWNRSSA-N 1 3 336.480 0.147 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000642094835 439948014 /nfs/dbraw/zinc/94/80/14/439948014.db2.gz ALFSYGWZVMGGRR-SJORKVTESA-N 1 3 346.475 0.534 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000652731156 439949402 /nfs/dbraw/zinc/94/94/02/439949402.db2.gz CJLZDYJVFWUWPS-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000652731770 439951861 /nfs/dbraw/zinc/95/18/61/439951861.db2.gz UKDDMVKEEUAGSW-XHSDSOJGSA-N 1 3 336.480 0.517 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000658568901 440009743 /nfs/dbraw/zinc/00/97/43/440009743.db2.gz SYZZNGXFBHWXHR-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000658568901 440009750 /nfs/dbraw/zinc/00/97/50/440009750.db2.gz SYZZNGXFBHWXHR-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000642541115 439988115 /nfs/dbraw/zinc/98/81/15/439988115.db2.gz ZXRNNJGHYVZPLF-LBPRGKRZSA-N 1 3 338.477 0.540 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000642914478 440062874 /nfs/dbraw/zinc/06/28/74/440062874.db2.gz RCQRLWKOGINXTH-IRXDYDNUSA-N 1 3 344.459 0.588 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@@H]1O ZINC000663474400 440079041 /nfs/dbraw/zinc/07/90/41/440079041.db2.gz OISXMUWMPSBTKV-GJZGRUSLSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653151883 440081707 /nfs/dbraw/zinc/08/17/07/440081707.db2.gz WMCIKVKQWREAMR-WMEZAQDKSA-N 1 3 329.444 0.859 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C[NH2+]1 ZINC000627208851 440045477 /nfs/dbraw/zinc/04/54/77/440045477.db2.gz ZNPTZZUKGNWUQZ-GJZGRUSLSA-N 1 3 339.484 0.418 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000642796475 440045472 /nfs/dbraw/zinc/04/54/72/440045472.db2.gz BIBRTZXHPYTTRV-KBPBESRZSA-N 1 3 332.448 0.792 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[C@H]1[NH3+] ZINC000642809748 440048183 /nfs/dbraw/zinc/04/81/83/440048183.db2.gz FTDNPCMVKRXELL-KFWWJZLASA-N 1 3 338.496 0.809 20 0 ECADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000642906646 440057487 /nfs/dbraw/zinc/05/74/87/440057487.db2.gz ZPNVAQVBFIZBBS-HOTGVXAUSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663656617 440144765 /nfs/dbraw/zinc/14/47/65/440144765.db2.gz VXEAUBJTZMLKIR-PMPSAXMXSA-N 1 3 326.485 0.815 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663656617 440144768 /nfs/dbraw/zinc/14/47/68/440144768.db2.gz VXEAUBJTZMLKIR-PMPSAXMXSA-N 1 3 326.485 0.815 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000627338101 440131578 /nfs/dbraw/zinc/13/15/78/440131578.db2.gz VCGDIATXWPKFEG-QGZVFWFLSA-N 1 3 344.459 0.288 20 0 ECADHO CCN1CCN(CCNS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632254824 440135605 /nfs/dbraw/zinc/13/56/05/440135605.db2.gz ZLFLGCZUYHPHCJ-UHFFFAOYSA-N 1 3 332.514 0.029 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(=O)N1CCCCC1 ZINC000663637514 440137710 /nfs/dbraw/zinc/13/77/10/440137710.db2.gz BXCGKUQCCSEJRL-HNNXBMFYSA-N 1 3 341.500 0.570 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(=O)N1CCCCC1 ZINC000663637514 440137713 /nfs/dbraw/zinc/13/77/13/440137713.db2.gz BXCGKUQCCSEJRL-HNNXBMFYSA-N 1 3 341.500 0.570 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643492888 440183703 /nfs/dbraw/zinc/18/37/03/440183703.db2.gz YANMUAQNHHYMNM-PMPSAXMXSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494677 440186891 /nfs/dbraw/zinc/18/68/91/440186891.db2.gz XVFNDRNHHIZJKS-ZACQAIPSSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000643516711 440194624 /nfs/dbraw/zinc/19/46/24/440194624.db2.gz MLAAMBAKUSUGPK-PVAVHDDUSA-N 1 3 348.491 0.530 20 0 ECADHO CC1CCC(N2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)CC1 ZINC000637069783 440153233 /nfs/dbraw/zinc/15/32/33/440153233.db2.gz OITUVMVCZJRUHE-UHFFFAOYSA-N 1 3 337.512 0.798 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000653396954 440153321 /nfs/dbraw/zinc/15/33/21/440153321.db2.gz JMBXHEDNHFKWDG-HUUCEWRRSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000653396954 440153325 /nfs/dbraw/zinc/15/33/25/440153325.db2.gz JMBXHEDNHFKWDG-HUUCEWRRSA-N 1 3 326.485 0.679 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000663717642 440161101 /nfs/dbraw/zinc/16/11/01/440161101.db2.gz XINPMNJHIDTQGL-HUUCEWRRSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000663717642 440161107 /nfs/dbraw/zinc/16/11/07/440161107.db2.gz XINPMNJHIDTQGL-HUUCEWRRSA-N 1 3 339.484 0.275 20 0 ECADHO CC1(C)NC(=O)N(CCCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC000647983553 440209537 /nfs/dbraw/zinc/20/95/37/440209537.db2.gz PURUCQGEWCFDQO-KGLIPLIRSA-N 1 3 338.452 0.535 20 0 ECADHO CCCN(C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2)[C@H]1CC[NH2+]C1 ZINC000643591279 440215940 /nfs/dbraw/zinc/21/59/40/440215940.db2.gz LIBZWVZOHICCAS-YJBOKZPZSA-N 1 3 336.480 0.531 20 0 ECADHO N[C@@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000648130665 440238193 /nfs/dbraw/zinc/23/81/93/440238193.db2.gz HMYQLZZKKYROFY-DLBZAZTESA-N 1 3 339.443 0.915 20 0 ECADHO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659071555 440223687 /nfs/dbraw/zinc/22/36/87/440223687.db2.gz OKABFDJHDGJAJP-OAHLLOKOSA-N 1 3 348.447 0.742 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[NH2+]1 ZINC000627481776 440234080 /nfs/dbraw/zinc/23/40/80/440234080.db2.gz ICYQSZMJGPHXHJ-LSDHHAIUSA-N 1 3 336.480 0.720 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000643531853 440202372 /nfs/dbraw/zinc/20/23/72/440202372.db2.gz PSYBEPHWRRXJFL-CVEARBPZSA-N 1 3 330.432 0.279 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000659104285 440249308 /nfs/dbraw/zinc/24/93/08/440249308.db2.gz ZJQKFTUUNGAAAZ-CQSZACIVSA-N 1 3 334.420 0.563 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000637579175 440306160 /nfs/dbraw/zinc/30/61/60/440306160.db2.gz QISJPUQZZALDFI-HNNXBMFYSA-N 1 3 339.484 0.275 20 0 ECADHO COc1ccccc1[C@@H](N)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000637805289 440338946 /nfs/dbraw/zinc/33/89/46/440338946.db2.gz XRQLENFSBMMOTA-HNNXBMFYSA-N 1 3 331.420 0.883 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659546764 440360168 /nfs/dbraw/zinc/36/01/68/440360168.db2.gz GNMZXWDYHYEDGJ-MWDXBVQZSA-N 1 3 330.432 0.270 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659558112 440364398 /nfs/dbraw/zinc/36/43/98/440364398.db2.gz XNGKLBYJIRPLSZ-SOUVJXGZSA-N 1 3 339.484 0.036 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659448421 440328143 /nfs/dbraw/zinc/32/81/43/440328143.db2.gz QPVHOBPQXOQIJI-ZDUSSCGKSA-N 1 3 327.473 0.308 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638075172 440425010 /nfs/dbraw/zinc/42/50/10/440425010.db2.gz CNCMMDOZKJMQTD-ZJUUUORDSA-N 1 3 328.367 0.574 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000664782143 440374894 /nfs/dbraw/zinc/37/48/94/440374894.db2.gz IEGVYHFLEHMUHW-BZSNNMDCSA-N 1 3 346.475 0.825 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000664782143 440374898 /nfs/dbraw/zinc/37/48/98/440374898.db2.gz IEGVYHFLEHMUHW-BZSNNMDCSA-N 1 3 346.475 0.825 20 0 ECADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629993 440381249 /nfs/dbraw/zinc/38/12/49/440381249.db2.gz KITIDAVVLSWDGX-AAEUAGOBSA-N 1 3 334.424 0.409 20 0 ECADHO C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)[C@H](c2ccccc2)C1 ZINC000649103032 440395885 /nfs/dbraw/zinc/39/58/85/440395885.db2.gz VFIKFPGPZLGIDZ-QYZOEREBSA-N 1 3 342.487 0.838 20 0 ECADHO C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)[C@H](c2ccccc2)C1 ZINC000649103032 440395888 /nfs/dbraw/zinc/39/58/88/440395888.db2.gz VFIKFPGPZLGIDZ-QYZOEREBSA-N 1 3 342.487 0.838 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000654795509 440401058 /nfs/dbraw/zinc/40/10/58/440401058.db2.gz MPUJVFXRJBOYFG-MRXNPFEDSA-N 1 3 348.495 0.297 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000654795509 440401063 /nfs/dbraw/zinc/40/10/63/440401063.db2.gz MPUJVFXRJBOYFG-MRXNPFEDSA-N 1 3 348.495 0.297 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000633005189 440404207 /nfs/dbraw/zinc/40/42/07/440404207.db2.gz KWLKQFKHWDYPJJ-IUODEOHRSA-N 1 3 348.451 0.203 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000633005190 440405075 /nfs/dbraw/zinc/40/50/75/440405075.db2.gz KWLKQFKHWDYPJJ-SWLSCSKDSA-N 1 3 348.451 0.203 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659675139 440409556 /nfs/dbraw/zinc/40/95/56/440409556.db2.gz ZFOGYRFTJCBEFD-HNNXBMFYSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CNCCC1(F)F ZINC000649322958 440462844 /nfs/dbraw/zinc/46/28/44/440462844.db2.gz YLWQYGADGSYZFM-ZDUSSCGKSA-N 1 3 331.407 0.992 20 0 ECADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659736727 440473572 /nfs/dbraw/zinc/47/35/72/440473572.db2.gz OUINTESYPLSUHA-TXKKKEFDSA-N 1 3 334.464 0.459 20 0 ECADHO CO[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000665481714 440476406 /nfs/dbraw/zinc/47/64/06/440476406.db2.gz SRAWQLOLCGKKCJ-CABCVRRESA-N 1 3 330.473 0.173 20 0 ECADHO O=C(CN1CC[NH2+]CC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000638085810 440429624 /nfs/dbraw/zinc/42/96/24/440429624.db2.gz TWVVUIZTUGMYOO-HNNXBMFYSA-N 1 3 336.505 0.982 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659706800 440442045 /nfs/dbraw/zinc/44/20/45/440442045.db2.gz QBENYXZNJLYWSZ-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000659724235 440460853 /nfs/dbraw/zinc/46/08/53/440460853.db2.gz QUVUBLPUJCTOEP-CZUORRHYSA-N 1 3 332.448 0.923 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000638264906 440490028 /nfs/dbraw/zinc/49/00/28/440490028.db2.gz AFRUVSULRDBOHO-STQMWFEESA-N 1 3 332.370 0.842 20 0 ECADHO COC[C@]1(C(=O)N(C)CCCN2CCN(C)CC2)CCCC[NH2+]1 ZINC000638278557 440496569 /nfs/dbraw/zinc/49/65/69/440496569.db2.gz ITDUDOIFKKDKJE-KRWDZBQOSA-N 1 3 326.485 0.241 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000638384524 440522869 /nfs/dbraw/zinc/52/28/69/440522869.db2.gz WMNWKCQEHIVZSF-RDJZCZTQSA-N 1 3 327.469 0.559 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000665761898 440524723 /nfs/dbraw/zinc/52/47/23/440524723.db2.gz TWBOWXFQSWNMNE-UONOGXRCSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000665761898 440524727 /nfs/dbraw/zinc/52/47/27/440524727.db2.gz TWBOWXFQSWNMNE-UONOGXRCSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1nncn1C ZINC000665762614 440526417 /nfs/dbraw/zinc/52/64/17/440526417.db2.gz KJQDIKIVAYVYFD-ZDUSSCGKSA-N 1 3 325.461 0.229 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1nncn1C ZINC000665762614 440526421 /nfs/dbraw/zinc/52/64/21/440526421.db2.gz KJQDIKIVAYVYFD-ZDUSSCGKSA-N 1 3 325.461 0.229 20 0 ECADHO CCn1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1 ZINC000665763458 440527039 /nfs/dbraw/zinc/52/70/39/440527039.db2.gz BEFQHHSAJARWED-ZDUSSCGKSA-N 1 3 325.461 0.369 20 0 ECADHO CCn1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1 ZINC000665763458 440527044 /nfs/dbraw/zinc/52/70/44/440527044.db2.gz BEFQHHSAJARWED-ZDUSSCGKSA-N 1 3 325.461 0.369 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655447069 440564035 /nfs/dbraw/zinc/56/40/35/440564035.db2.gz ORGRHZBMNMIETG-CRAIPNDOSA-N 1 3 336.480 0.389 20 0 ECADHO CN1CCN(CC2CCN(C(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)CC2)CC1 ZINC000655468295 440566161 /nfs/dbraw/zinc/56/61/61/440566161.db2.gz ZHLXYDLHJFOKHB-PKOBYXMFSA-N 1 3 334.508 0.862 20 0 ECADHO CC(C)(C[NH2+]CCCN1CCC[C@H](C(N)=O)C1)N1CCOCC1 ZINC000638570822 440569098 /nfs/dbraw/zinc/56/90/98/440569098.db2.gz BESPPIAEFVTBEA-HNNXBMFYSA-N 1 3 326.485 0.274 20 0 ECADHO CC(C)(CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCOCC1 ZINC000638570822 440569106 /nfs/dbraw/zinc/56/91/06/440569106.db2.gz BESPPIAEFVTBEA-HNNXBMFYSA-N 1 3 326.485 0.274 20 0 ECADHO CC(C)(CNCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCOCC1 ZINC000638570822 440569111 /nfs/dbraw/zinc/56/91/11/440569111.db2.gz BESPPIAEFVTBEA-HNNXBMFYSA-N 1 3 326.485 0.274 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000650381835 440633005 /nfs/dbraw/zinc/63/30/05/440633005.db2.gz JESZXBANGHGPRL-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1(C)C ZINC000638985108 440659616 /nfs/dbraw/zinc/65/96/16/440659616.db2.gz YSWYGOYEXKLTMT-KBXCAEBGSA-N 1 3 347.463 0.962 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)N1CCCC1 ZINC000666624517 440666016 /nfs/dbraw/zinc/66/60/16/440666016.db2.gz JMCQJKXASJDVTH-ZDUSSCGKSA-N 1 3 334.420 0.563 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000650669600 440667869 /nfs/dbraw/zinc/66/78/69/440667869.db2.gz IZVJSBLATQIVDO-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000650669600 440667873 /nfs/dbraw/zinc/66/78/73/440667873.db2.gz IZVJSBLATQIVDO-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCN(CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000639137437 440682150 /nfs/dbraw/zinc/68/21/50/440682150.db2.gz ZHXIWYVVAHUXSH-UHFFFAOYSA-N 1 3 340.493 0.450 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000666423465 440639711 /nfs/dbraw/zinc/63/97/11/440639711.db2.gz OCKVAQARLIGXFT-ZDUSSCGKSA-N 1 3 337.472 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000666423465 440639714 /nfs/dbraw/zinc/63/97/14/440639714.db2.gz OCKVAQARLIGXFT-ZDUSSCGKSA-N 1 3 337.472 0.936 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000660349175 440641203 /nfs/dbraw/zinc/64/12/03/440641203.db2.gz WAIXZAQCLVIHRQ-XHSDSOJGSA-N 1 3 338.496 0.917 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656024479 440694852 /nfs/dbraw/zinc/69/48/52/440694852.db2.gz QILATLQBFRLSJV-ALYAQQCSSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)[C@@H]1C[NH3+] ZINC000656027526 440697586 /nfs/dbraw/zinc/69/75/86/440697586.db2.gz CKRBLXZKBFRROM-KLHDSHLOSA-N 1 3 336.480 0.705 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000656028537 440700878 /nfs/dbraw/zinc/70/08/78/440700878.db2.gz MDBSXBHFFWXAMW-UGUYLWEFSA-N 1 3 334.464 0.472 20 0 ECADHO CN(C)CCN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC000651138430 440755817 /nfs/dbraw/zinc/75/58/17/440755817.db2.gz HOPBIGFWUUIBFL-GOOCMWNKSA-N 1 3 337.468 0.027 20 0 ECADHO CN(C)CCN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC000651138430 440755823 /nfs/dbraw/zinc/75/58/23/440755823.db2.gz HOPBIGFWUUIBFL-GOOCMWNKSA-N 1 3 337.468 0.027 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000644917713 440716195 /nfs/dbraw/zinc/71/61/95/440716195.db2.gz OMXQNOGBYDJNBK-HRCADAONSA-N 1 3 336.480 0.528 20 0 ECADHO NS(=O)(=O)c1ccc2c(c1)[C@H](NCCOCCC[NH3+])CCC2 ZINC000629540063 440723008 /nfs/dbraw/zinc/72/30/08/440723008.db2.gz SKECHEOBIAAODC-OAHLLOKOSA-N 1 3 327.450 0.666 20 0 ECADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629551576 440725542 /nfs/dbraw/zinc/72/55/42/440725542.db2.gz WCWLGSRKPWBEBD-DKIMLUQUSA-N 1 3 334.464 0.624 20 0 ECADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1C ZINC000629798701 440766332 /nfs/dbraw/zinc/76/63/32/440766332.db2.gz BQMYFKDPHNJPRF-DFEHZGFQSA-N 1 3 336.480 0.386 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000629800184 440767097 /nfs/dbraw/zinc/76/70/97/440767097.db2.gz PYVCKNUTMZWHGN-INIZCTEOSA-N 1 3 332.448 0.527 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000629802521 440768558 /nfs/dbraw/zinc/76/85/58/440768558.db2.gz IWHVAGOLGOJWFT-UHFFFAOYSA-N 1 3 326.466 0.446 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661029741 440780077 /nfs/dbraw/zinc/78/00/77/440780077.db2.gz KFXSMHNZQTVUSZ-UHFFFAOYSA-N 1 3 347.463 0.529 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(=O)n(C)cn1 ZINC000635464875 440859431 /nfs/dbraw/zinc/85/94/31/440859431.db2.gz LHCUWFFUTXVKFA-CQSZACIVSA-N 1 3 335.452 0.268 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(=O)n(C)cn1 ZINC000635464875 440859436 /nfs/dbraw/zinc/85/94/36/440859436.db2.gz LHCUWFFUTXVKFA-CQSZACIVSA-N 1 3 335.452 0.268 20 0 ECADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC000645619861 440861814 /nfs/dbraw/zinc/86/18/14/440861814.db2.gz NBIUMHPFZFQKKV-NVXWUHKLSA-N 1 3 344.459 0.892 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000661686816 440904081 /nfs/dbraw/zinc/90/40/81/440904081.db2.gz JJYGWMXATUKLIY-HZPDHXFCSA-N 1 3 338.496 0.917 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)COC3CCC([NH3+])CC3)CC2)C1 ZINC000646002814 440967616 /nfs/dbraw/zinc/96/76/16/440967616.db2.gz FXZCICVGTNKDFE-AQFXKWCLSA-N 1 3 338.496 0.511 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CC[N@@H+]1C ZINC000630925806 440983714 /nfs/dbraw/zinc/98/37/14/440983714.db2.gz PWHHVNWKQKAGEJ-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CC[N@H+]1C ZINC000630925806 440983719 /nfs/dbraw/zinc/98/37/19/440983719.db2.gz PWHHVNWKQKAGEJ-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249740 440993339 /nfs/dbraw/zinc/99/33/39/440993339.db2.gz ZDALZXOGXFYVBQ-GXTWGEPZSA-N 1 3 339.461 0.848 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662260799 440997880 /nfs/dbraw/zinc/99/78/80/440997880.db2.gz QMHWBWIALXBPBA-FGTMMUONSA-N 1 3 336.524 0.998 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662260799 440997884 /nfs/dbraw/zinc/99/78/84/440997884.db2.gz QMHWBWIALXBPBA-FGTMMUONSA-N 1 3 336.524 0.998 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296007 441008118 /nfs/dbraw/zinc/00/81/18/441008118.db2.gz JVDUWVIOVBZOLD-MRXNPFEDSA-N 1 3 347.525 0.654 20 0 ECADHO COC[C@H](CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)OC ZINC000662335957 441017477 /nfs/dbraw/zinc/01/74/77/441017477.db2.gz BJUKWJZALYGBHS-GJZGRUSLSA-N 1 3 337.468 0.660 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662406249 441031591 /nfs/dbraw/zinc/03/15/91/441031591.db2.gz WOHZABNTHHHFJB-ZBFHGGJFSA-N 1 3 330.432 0.535 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000652225410 441035815 /nfs/dbraw/zinc/03/58/15/441035815.db2.gz YSJVDHWHGDDUPY-JKSUJKDBSA-N 1 3 336.484 0.834 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000652225410 441035822 /nfs/dbraw/zinc/03/58/22/441035822.db2.gz YSJVDHWHGDDUPY-JKSUJKDBSA-N 1 3 336.484 0.834 20 0 ECADHO COCCCN1CCC(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662439540 441041252 /nfs/dbraw/zinc/04/12/52/441041252.db2.gz OQOUWRJVWLEKFZ-ZDUSSCGKSA-N 1 3 335.452 0.717 20 0 ECADHO C[C@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)CN1CCN(C)CC1 ZINC000662480931 441051962 /nfs/dbraw/zinc/05/19/62/441051962.db2.gz ZYHINSVYQZQEIU-CQSZACIVSA-N 1 3 349.479 0.755 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCn3nc4ccccn4c3=O)C2)C1 ZINC000652347533 441058810 /nfs/dbraw/zinc/05/88/10/441058810.db2.gz DBINEZFUHPPVOA-ARFHVFGLSA-N 1 3 345.447 0.714 20 0 ECADHO CCNCc1ccn(Cc2cn(C[C@H](O)C[N@H+](C)C(C)C)nn2)n1 ZINC000641221843 441079131 /nfs/dbraw/zinc/07/91/31/441079131.db2.gz LMSYMPYRCKKXAQ-MRXNPFEDSA-N 1 3 335.456 0.334 20 0 ECADHO CCNCc1ccn(Cc2cn(C[C@H](O)C[N@@H+](C)C(C)C)nn2)n1 ZINC000641221843 441079133 /nfs/dbraw/zinc/07/91/33/441079133.db2.gz LMSYMPYRCKKXAQ-MRXNPFEDSA-N 1 3 335.456 0.334 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340256216 321030320 /nfs/dbraw/zinc/03/03/20/321030320.db2.gz PDAFDNURTZVZLE-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)NCCNc2ccncc2)CC1 ZINC000340258358 321030629 /nfs/dbraw/zinc/03/06/29/321030629.db2.gz UHVKQMKGPJRTRN-UHFFFAOYSA-N 1 3 334.468 0.241 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000340258511 321030708 /nfs/dbraw/zinc/03/07/08/321030708.db2.gz VQWGTWIGHWQPBO-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000340258511 321030710 /nfs/dbraw/zinc/03/07/10/321030710.db2.gz VQWGTWIGHWQPBO-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340258907 321031039 /nfs/dbraw/zinc/03/10/39/321031039.db2.gz IJXGXDLIJVTNOO-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000340258992 321031292 /nfs/dbraw/zinc/03/12/92/321031292.db2.gz JETIQQDFRXGIOW-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000340258992 321031293 /nfs/dbraw/zinc/03/12/93/321031293.db2.gz JETIQQDFRXGIOW-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000340264187 321032199 /nfs/dbraw/zinc/03/21/99/321032199.db2.gz ZUHLAXAIUXYOCY-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000340264187 321032200 /nfs/dbraw/zinc/03/22/00/321032200.db2.gz ZUHLAXAIUXYOCY-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1)C[NH+]1CCCCC1 ZINC000342054169 321074035 /nfs/dbraw/zinc/07/40/35/321074035.db2.gz IZKZYEDOPCHDCO-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+](CC)CCOC1CCN(CCC(=O)NC(=O)NC)CC1 ZINC000342148292 321076098 /nfs/dbraw/zinc/07/60/98/321076098.db2.gz MGWFRJGKYMMXPP-UHFFFAOYSA-N 1 3 328.457 0.655 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000342366550 321086930 /nfs/dbraw/zinc/08/69/30/321086930.db2.gz QQHXKQGUUDAQBJ-WMLDXEAASA-N 1 3 338.496 0.957 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000342366550 321086931 /nfs/dbraw/zinc/08/69/31/321086931.db2.gz QQHXKQGUUDAQBJ-WMLDXEAASA-N 1 3 338.496 0.957 20 0 ECADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000342439502 321092389 /nfs/dbraw/zinc/09/23/89/321092389.db2.gz ZDTAZPLLCRFBKX-UHFFFAOYSA-N 1 3 342.484 0.012 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000343179114 321126426 /nfs/dbraw/zinc/12/64/26/321126426.db2.gz WYUQLBRJSSONSK-KBUPBQIOSA-N 1 3 326.485 0.535 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000343315770 321132810 /nfs/dbraw/zinc/13/28/10/321132810.db2.gz YYQFBRFERWSWRD-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000343315770 321132811 /nfs/dbraw/zinc/13/28/11/321132811.db2.gz YYQFBRFERWSWRD-PBHICJAKSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346158029 321216453 /nfs/dbraw/zinc/21/64/53/321216453.db2.gz AYLJSQPQILUFLX-KLHDSHLOSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CCN1C ZINC000347957388 321259247 /nfs/dbraw/zinc/25/92/47/321259247.db2.gz APOYVSCGWVDYHU-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[N@@H+]1C ZINC000347980570 321262374 /nfs/dbraw/zinc/26/23/74/321262374.db2.gz RUBMLJOSEPWFMP-ILXRZTDVSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[N@H+]1C ZINC000347980570 321262375 /nfs/dbraw/zinc/26/23/75/321262375.db2.gz RUBMLJOSEPWFMP-ILXRZTDVSA-N 1 3 338.496 0.822 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1=O ZINC000349052504 321296248 /nfs/dbraw/zinc/29/62/48/321296248.db2.gz LPYBEVOEJWKUJW-KGLIPLIRSA-N 1 3 345.447 0.246 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1=O ZINC000349052505 321296355 /nfs/dbraw/zinc/29/63/55/321296355.db2.gz LPYBEVOEJWKUJW-UONOGXRCSA-N 1 3 345.447 0.246 20 0 ECADHO CN(Cc1ccc(C[N@H+](C)[C@H]2COC[C@@H]2O)cc1)[C@@H]1COC[C@@H]1O ZINC000352802730 321373129 /nfs/dbraw/zinc/37/31/29/321373129.db2.gz WJDZKJZFLZEBAN-MHORFTMASA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccc(C[N@@H+](C)[C@H]2COC[C@@H]2O)cc1)[C@@H]1COC[C@@H]1O ZINC000352802730 321373131 /nfs/dbraw/zinc/37/31/31/321373131.db2.gz WJDZKJZFLZEBAN-MHORFTMASA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccc(C[N@H+](C)[C@@H]2COC[C@@H]2O)cc1)[C@H]1COC[C@@H]1O ZINC000352802730 321373132 /nfs/dbraw/zinc/37/31/32/321373132.db2.gz WJDZKJZFLZEBAN-MHORFTMASA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)cc1)[C@H]1COC[C@@H]1O ZINC000352802730 321373134 /nfs/dbraw/zinc/37/31/34/321373134.db2.gz WJDZKJZFLZEBAN-MHORFTMASA-N 1 3 336.432 0.070 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)C(C)(C)C[NH+](C)C ZINC000358830660 321576405 /nfs/dbraw/zinc/57/64/05/321576405.db2.gz QQFJSFVWGDLCLF-KBPBESRZSA-N 1 3 326.485 0.632 20 0 ECADHO Cn1ncc2c1ncnc2N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359211525 321588357 /nfs/dbraw/zinc/58/83/57/321588357.db2.gz DAJWHWKPMUSXNG-UHFFFAOYSA-N 1 3 329.452 0.875 20 0 ECADHO O=C1CNC(=O)N1CC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000562741047 322283205 /nfs/dbraw/zinc/28/32/05/322283205.db2.gz CLZMREHMQNBAKW-SJORKVTESA-N 1 3 342.443 0.992 20 0 ECADHO O=C1CNC(=O)N1CC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000562741047 322283206 /nfs/dbraw/zinc/28/32/06/322283206.db2.gz CLZMREHMQNBAKW-SJORKVTESA-N 1 3 342.443 0.992 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH2+]C2CC2)CC1=O ZINC000563206022 322304113 /nfs/dbraw/zinc/30/41/13/322304113.db2.gz ITMRUBBQGYBBNH-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000563303056 322308332 /nfs/dbraw/zinc/30/83/32/322308332.db2.gz MUYLJOLRAVKFOV-INIZCTEOSA-N 1 3 336.480 0.661 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)nn1 ZINC000565529864 322461130 /nfs/dbraw/zinc/46/11/30/322461130.db2.gz ZNSRRFREBVLBPM-CVEARBPZSA-N 1 3 349.483 0.991 20 0 ECADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000568491664 322629855 /nfs/dbraw/zinc/62/98/55/322629855.db2.gz YCFHKUDTBAZUKY-MGPQQGTHSA-N 1 3 346.422 0.912 20 0 ECADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCN(c2cnccn2)CC1 ZINC000569847177 322666945 /nfs/dbraw/zinc/66/69/45/322666945.db2.gz FPLVHIBUHVDMJG-UHFFFAOYSA-N 1 3 344.463 0.201 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000572383505 322743831 /nfs/dbraw/zinc/74/38/31/322743831.db2.gz XZZBCFKFIHHJME-OAGGEKHMSA-N 1 3 336.480 0.578 20 0 ECADHO CO[C@@H]1COCC[C@@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576601289 322811077 /nfs/dbraw/zinc/81/10/77/322811077.db2.gz QZWOHPMWIBDSSU-HUUCEWRRSA-N 1 3 330.473 0.173 20 0 ECADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C(C)(C)C ZINC000579093700 322885750 /nfs/dbraw/zinc/88/57/50/322885750.db2.gz DIGVZVIMOIONNF-AWEZNQCLSA-N 1 3 328.501 0.879 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000339584174 517637886 /nfs/dbraw/zinc/63/78/86/517637886.db2.gz VTNDOFOOZVDFQX-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000579935795 517651845 /nfs/dbraw/zinc/65/18/45/517651845.db2.gz COZMLAGVZXMUBI-INIZCTEOSA-N 1 3 338.496 0.858 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000342983250 546087950 /nfs/dbraw/zinc/08/79/50/546087950.db2.gz ANIQJEOTTPWTCB-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000342991987 546090650 /nfs/dbraw/zinc/09/06/50/546090650.db2.gz RPFPFUUDYMVQIM-ZNMIVQPWSA-N 1 3 326.485 0.774 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000343013921 546092721 /nfs/dbraw/zinc/09/27/21/546092721.db2.gz NNTCHSXVJFUUSE-RRFJBIMHSA-N 1 3 326.485 0.822 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000343019186 546093904 /nfs/dbraw/zinc/09/39/04/546093904.db2.gz YKZOUDPWXMAHSP-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000343019185 546094145 /nfs/dbraw/zinc/09/41/45/546094145.db2.gz YKZOUDPWXMAHSP-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415650272 546206894 /nfs/dbraw/zinc/20/68/94/546206894.db2.gz PYVOSMMNYPTUCT-KGLIPLIRSA-N 1 3 348.447 0.952 20 0 ECADHO CN(CCC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccncc1 ZINC000620480573 546432479 /nfs/dbraw/zinc/43/24/79/546432479.db2.gz GJVWAFOZOMKPLA-KRWDZBQOSA-N 1 3 332.448 0.966 20 0 ECADHO CN(CCC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccncc1 ZINC000620480573 546432483 /nfs/dbraw/zinc/43/24/83/546432483.db2.gz GJVWAFOZOMKPLA-KRWDZBQOSA-N 1 3 332.448 0.966 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@H]1CCN(C3CCCCC3)C1)C2 ZINC000621849238 546577221 /nfs/dbraw/zinc/57/72/21/546577221.db2.gz PUFNGOIWIJLKLC-VCBZYWHSSA-N 1 3 348.491 0.849 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1)C2 ZINC000622027016 546608519 /nfs/dbraw/zinc/60/85/19/546608519.db2.gz WLJHTLVZRZHSIT-BXWFABGCSA-N 1 3 348.491 0.803 20 0 ECADHO CC[NH+](CC)CCOc1ccc(CNc2nc(N)nc(N)n2)cc1 ZINC000623859697 546850498 /nfs/dbraw/zinc/85/04/98/546850498.db2.gz XJBBAOBYUKROGJ-UHFFFAOYSA-N 1 3 331.424 0.451 20 0 ECADHO Nc1nc(N)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000623960907 546861735 /nfs/dbraw/zinc/86/17/35/546861735.db2.gz LZGYKPYZKAQFSU-AGUYFDCRSA-N 1 3 325.420 0.726 20 0 ECADHO Nc1nc(N)nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000623960907 546861737 /nfs/dbraw/zinc/86/17/37/546861737.db2.gz LZGYKPYZKAQFSU-AGUYFDCRSA-N 1 3 325.420 0.726 20 0 ECADHO Nc1nc(N)nc(NCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000623962904 546863130 /nfs/dbraw/zinc/86/31/30/546863130.db2.gz RUPJGLIAKOGXHY-UHFFFAOYSA-N 1 3 329.408 0.205 20 0 ECADHO Nc1nc(N)nc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000624234015 546892635 /nfs/dbraw/zinc/89/26/35/546892635.db2.gz NPNBRICIGJFZMF-AWEZNQCLSA-N 1 3 327.436 0.833 20 0 ECADHO Nc1nc(N)nc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000624234015 546892636 /nfs/dbraw/zinc/89/26/36/546892636.db2.gz NPNBRICIGJFZMF-AWEZNQCLSA-N 1 3 327.436 0.833 20 0 ECADHO Cc1cncn1CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000624953032 546996408 /nfs/dbraw/zinc/99/64/08/546996408.db2.gz WZBSHMIJJQJFLI-UHFFFAOYSA-N 1 3 342.447 0.915 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634643572 547381625 /nfs/dbraw/zinc/38/16/25/547381625.db2.gz DUGMZVHKTJUQRR-WMZOPIPTSA-N 1 3 341.496 0.288 20 0 ECADHO CN1CCC[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000644900696 547412432 /nfs/dbraw/zinc/41/24/32/547412432.db2.gz ZAYPPLSVMRRTGI-OAHLLOKOSA-N 1 3 339.484 0.372 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645209538 547413127 /nfs/dbraw/zinc/41/31/27/547413127.db2.gz NZEIXBYNIGSAMF-KGLIPLIRSA-N 1 3 327.473 0.478 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645209538 547413134 /nfs/dbraw/zinc/41/31/34/547413134.db2.gz NZEIXBYNIGSAMF-KGLIPLIRSA-N 1 3 327.473 0.478 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667266470 547492649 /nfs/dbraw/zinc/49/26/49/547492649.db2.gz YWBBZHWQVLFQIL-CQSZACIVSA-N 1 3 348.447 0.954 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000667514289 547527087 /nfs/dbraw/zinc/52/70/87/547527087.db2.gz IUCQFSCSNRXRAS-UHFFFAOYSA-N 1 3 348.447 0.905 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](C)[NH3+])cc2)CC1 ZINC000667559123 547530237 /nfs/dbraw/zinc/53/02/37/547530237.db2.gz CJXXIFZABFQOSI-AWEZNQCLSA-N 1 3 347.463 0.226 20 0 ECADHO CN1CCC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000669402937 547885554 /nfs/dbraw/zinc/88/55/54/547885554.db2.gz BEICQFXDRWCZMS-NEPJUHHUSA-N 1 3 337.390 0.216 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670442034 548011605 /nfs/dbraw/zinc/01/16/05/548011605.db2.gz CCYAPGPHCNDZNG-LUYZLQTOSA-N 1 3 334.464 0.280 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670442034 548011608 /nfs/dbraw/zinc/01/16/08/548011608.db2.gz CCYAPGPHCNDZNG-LUYZLQTOSA-N 1 3 334.464 0.280 20 0 ECADHO Cc1nc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000670748064 548043649 /nfs/dbraw/zinc/04/36/49/548043649.db2.gz CGEJJGSJPPVNJH-UHFFFAOYSA-N 1 3 341.481 0.020 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100926 548091374 /nfs/dbraw/zinc/09/13/74/548091374.db2.gz QREFXKVMWHWINT-OAGGEKHMSA-N 1 3 334.464 0.330 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100926 548091379 /nfs/dbraw/zinc/09/13/79/548091379.db2.gz QREFXKVMWHWINT-OAGGEKHMSA-N 1 3 334.464 0.330 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000671099681 548091621 /nfs/dbraw/zinc/09/16/21/548091621.db2.gz GHXJFCAATXZNOF-BZUAXINKSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000671099681 548091624 /nfs/dbraw/zinc/09/16/24/548091624.db2.gz GHXJFCAATXZNOF-BZUAXINKSA-N 1 3 334.464 0.426 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000672690212 548370510 /nfs/dbraw/zinc/37/05/10/548370510.db2.gz PLQBHHQWSIXACN-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000685047994 549649315 /nfs/dbraw/zinc/64/93/15/549649315.db2.gz JNRXSHUQBIZRHZ-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO CN1CCN(CCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000685047994 549649318 /nfs/dbraw/zinc/64/93/18/549649318.db2.gz JNRXSHUQBIZRHZ-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000685310142 549676943 /nfs/dbraw/zinc/67/69/43/549676943.db2.gz AWVLIARRAGGAKB-LUYZLQTOSA-N 1 3 336.480 0.384 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000685310142 549676947 /nfs/dbraw/zinc/67/69/47/549676947.db2.gz AWVLIARRAGGAKB-LUYZLQTOSA-N 1 3 336.480 0.384 20 0 ECADHO CN1CCN(CC[NH2+]Cc2ccc(OCC(N)=O)cc2)CC1(C)C ZINC000799346317 578663871 /nfs/dbraw/zinc/66/38/71/578663871.db2.gz IXNOLVPZDNNOOS-UHFFFAOYSA-N 1 3 334.464 0.666 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000793696506 578935257 /nfs/dbraw/zinc/93/52/57/578935257.db2.gz AVQUVAHDULYDTA-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000793697802 578935443 /nfs/dbraw/zinc/93/54/43/578935443.db2.gz HVFHBVZTSWTTMJ-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000793697802 578935444 /nfs/dbraw/zinc/93/54/44/578935444.db2.gz HVFHBVZTSWTTMJ-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000793722060 578937601 /nfs/dbraw/zinc/93/76/01/578937601.db2.gz UQNLYDCLPKCXRH-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000793722060 578937602 /nfs/dbraw/zinc/93/76/02/578937602.db2.gz UQNLYDCLPKCXRH-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)N1CCCCC1 ZINC000793723285 578937860 /nfs/dbraw/zinc/93/78/60/578937860.db2.gz MFWPWVHJCWIBEY-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841006752 588976116 /nfs/dbraw/zinc/97/61/16/588976116.db2.gz HKQYUGQGGZKZOD-UHFFFAOYSA-N 1 3 348.447 0.811 20 0 ECADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000841051622 588976777 /nfs/dbraw/zinc/97/67/77/588976777.db2.gz SSHTYYQYSCOTEQ-ZDUSSCGKSA-N 1 3 334.420 0.563 20 0 ECADHO O=C(C[C@@H]1CNCCO1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847000 589002560 /nfs/dbraw/zinc/00/25/60/589002560.db2.gz FQPPONFKTBILOC-MRXNPFEDSA-N 1 3 347.415 0.912 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000842014540 589008168 /nfs/dbraw/zinc/00/81/68/589008168.db2.gz CMBZRCVOHIVAJL-QKPAOTATSA-N 1 3 336.480 0.481 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000842223605 589021911 /nfs/dbraw/zinc/02/19/11/589021911.db2.gz LXHWRXHZFWHBBY-QGZVFWFLSA-N 1 3 346.475 0.488 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842232545 589023243 /nfs/dbraw/zinc/02/32/43/589023243.db2.gz YEYPXPMXAUTGTQ-MRXNPFEDSA-N 1 3 332.448 0.405 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891355906 586165261 /nfs/dbraw/zinc/16/52/61/586165261.db2.gz BQEORVKWWGQBCO-AEFFLSMTSA-N 1 3 337.512 0.988 20 0 ECADHO COCCC1(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[NH2+]CC1 ZINC000891514452 586173298 /nfs/dbraw/zinc/17/32/98/586173298.db2.gz RUVBTBOKEIGQSX-HUUCEWRRSA-N 1 3 340.468 0.308 20 0 ECADHO C[C@H](CNC(=O)NC1(C[NH3+])CCCCC1)CN1CCN(C)CC1 ZINC000891600302 586180487 /nfs/dbraw/zinc/18/04/87/586180487.db2.gz AMLDLOILIDTBLN-OAHLLOKOSA-N 1 3 325.501 0.831 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1C1OCCO1 ZINC000895665813 586197054 /nfs/dbraw/zinc/19/70/54/586197054.db2.gz HBDGSBNBRIRBEI-LSDHHAIUSA-N 1 3 342.484 0.805 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1C1OCCO1 ZINC000895665813 586197056 /nfs/dbraw/zinc/19/70/56/586197056.db2.gz HBDGSBNBRIRBEI-LSDHHAIUSA-N 1 3 342.484 0.805 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000892015375 586215285 /nfs/dbraw/zinc/21/52/85/586215285.db2.gz ARCBDCOVVYXTQA-AWEZNQCLSA-N 1 3 337.468 0.254 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000892076200 586220180 /nfs/dbraw/zinc/22/01/80/586220180.db2.gz UBDVZIDZRGWASS-GDBMZVCRSA-N 1 3 326.485 0.984 20 0 ECADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CNCCC1(F)F ZINC000892157527 586225080 /nfs/dbraw/zinc/22/50/80/586225080.db2.gz YAKGIGPQBMGYLC-RYUDHWBXSA-N 1 3 332.395 0.442 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)CC1 ZINC000892188113 586228507 /nfs/dbraw/zinc/22/85/07/586228507.db2.gz OVZDREBDNOVABH-GVDBMIGSSA-N 1 3 349.523 0.796 20 0 ECADHO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000892190085 586228877 /nfs/dbraw/zinc/22/88/77/586228877.db2.gz TXNNWCFVNXWWJL-AWEZNQCLSA-N 1 3 326.828 0.799 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000896682435 586266833 /nfs/dbraw/zinc/26/68/33/586266833.db2.gz SQIINTLMXQGXOZ-INIZCTEOSA-N 1 3 332.448 0.813 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000897343010 586301624 /nfs/dbraw/zinc/30/16/24/586301624.db2.gz ZIBZFYRMXAUECW-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CC[NH+](CCC(C)(C)NC(=O)C2CN([C@H]3CCOC3)C2)CC1 ZINC000897423177 586312878 /nfs/dbraw/zinc/31/28/78/586312878.db2.gz LLKYYTNAJOOQKM-INIZCTEOSA-N 1 3 338.496 0.239 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897557985 586344602 /nfs/dbraw/zinc/34/46/02/586344602.db2.gz CRHYZGXUXUTIAT-HNNXBMFYSA-N 1 3 341.500 0.380 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897557985 586344603 /nfs/dbraw/zinc/34/46/03/586344603.db2.gz CRHYZGXUXUTIAT-HNNXBMFYSA-N 1 3 341.500 0.380 20 0 ECADHO C[C@H]1C[NH2+]C[C@H](NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000843126674 589051699 /nfs/dbraw/zinc/05/16/99/589051699.db2.gz SOULZNSJBSAIBJ-ZYHUDNBSSA-N 1 3 325.425 0.838 20 0 ECADHO CN1C[C@@H](O)C[C@]1(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000900446609 586631908 /nfs/dbraw/zinc/63/19/08/586631908.db2.gz QAHGTLAIUDBDTF-FUHWJXTLSA-N 1 3 338.496 0.116 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000843265696 589058621 /nfs/dbraw/zinc/05/86/21/589058621.db2.gz UQYRJQMIPMXBCN-UONOGXRCSA-N 1 3 334.464 0.949 20 0 ECADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000900685407 586656142 /nfs/dbraw/zinc/65/61/42/586656142.db2.gz RTCASNBRHUFECQ-WMZOPIPTSA-N 1 3 339.480 0.593 20 0 ECADHO C[N@H+]1CCC[C@](O)(CC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000900685407 586656144 /nfs/dbraw/zinc/65/61/44/586656144.db2.gz RTCASNBRHUFECQ-WMZOPIPTSA-N 1 3 339.480 0.593 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000901137683 586697324 /nfs/dbraw/zinc/69/73/24/586697324.db2.gz LDCZJIUWRABMBG-NVXWUHKLSA-N 1 3 327.469 0.186 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000901137683 586697327 /nfs/dbraw/zinc/69/73/27/586697327.db2.gz LDCZJIUWRABMBG-NVXWUHKLSA-N 1 3 327.469 0.186 20 0 ECADHO COc1cn(C[NH+]2C[C@@H](CN(C)C)[C@H](CN(C)C)C2)c(C)cc1=O ZINC000902347254 586733926 /nfs/dbraw/zinc/73/39/26/586733926.db2.gz IFGVOBWMWPAPPJ-HZPDHXFCSA-N 1 3 336.480 0.794 20 0 ECADHO NS(=O)(=O)c1ccc(N2CCN(C[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000903442083 586776664 /nfs/dbraw/zinc/77/66/64/586776664.db2.gz IYFHRLWIVUKFAX-UONOGXRCSA-N 1 3 338.477 0.583 20 0 ECADHO COCCCNC(=O)[C@@H](C)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903443626 586776696 /nfs/dbraw/zinc/77/66/96/586776696.db2.gz FVYCVLYBWMPNIR-OAGGEKHMSA-N 1 3 326.485 0.273 20 0 ECADHO CCCCCCNC(=O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491959 586779348 /nfs/dbraw/zinc/77/93/48/586779348.db2.gz HOFURNZQGNMJBW-VBQJREDUSA-N 1 3 325.453 0.895 20 0 ECADHO CC(C)(N)c1noc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000903512802 586781500 /nfs/dbraw/zinc/78/15/00/586781500.db2.gz IYINCLMDFKGVRG-OKILXGFUSA-N 1 3 334.468 0.664 20 0 ECADHO COCCCNC(=O)C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723317 586801614 /nfs/dbraw/zinc/80/16/14/586801614.db2.gz VDHYDNOFWCUTQI-WMZOPIPTSA-N 1 3 339.480 0.620 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@@H]1CCN(c2ccccn2)C1 ZINC000903923132 586826277 /nfs/dbraw/zinc/82/62/77/586826277.db2.gz MCUQUNJEOJSEJJ-CABCVRRESA-N 1 3 327.436 0.966 20 0 ECADHO COCC(C)(C)N1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903929788 586826447 /nfs/dbraw/zinc/82/64/47/586826447.db2.gz LMIWFZHGJKHILY-MRXNPFEDSA-N 1 3 337.512 0.889 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000903932032 586827006 /nfs/dbraw/zinc/82/70/06/586827006.db2.gz LJFNKVSFOABFNZ-IAGOWNOFSA-N 1 3 348.495 0.889 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3CC[C@]32CN)C1 ZINC000904970072 586851020 /nfs/dbraw/zinc/85/10/20/586851020.db2.gz FZHRQZQHCXJNHI-DAYGRLMNSA-N 1 3 336.480 0.705 20 0 ECADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CCC[C@@H](N3CCCC3)C1)C2 ZINC000904996695 586856563 /nfs/dbraw/zinc/85/65/63/586856563.db2.gz XVRRUSBBAOBWOU-JONQDZQNSA-N 1 3 334.464 0.411 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32CN)CC1 ZINC000905010169 586859845 /nfs/dbraw/zinc/85/98/45/586859845.db2.gz UBLDDTJBQXVVQZ-BEFAXECRSA-N 1 3 348.491 0.803 20 0 ECADHO CN1CCC(C[NH2+]C[C@@H](O)C2(O)CCCC2)(N2CCOCC2)CC1 ZINC000905286701 586882980 /nfs/dbraw/zinc/88/29/80/586882980.db2.gz QPYHFBLOZJHGLK-MRXNPFEDSA-N 1 3 341.496 0.039 20 0 ECADHO C[C@H](NCCN1CC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817943989 587393007 /nfs/dbraw/zinc/39/30/07/587393007.db2.gz UPTIGPFRKYDMQL-PKOBYXMFSA-N 1 3 332.492 0.771 20 0 ECADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000827936987 588147664 /nfs/dbraw/zinc/14/76/64/588147664.db2.gz ZIWBAJVMKMYANE-MSOLQXFVSA-N 1 3 329.444 0.968 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000827936573 588147716 /nfs/dbraw/zinc/14/77/16/588147716.db2.gz PAFDLMFYVJLXOL-HRCADAONSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000846151732 589189026 /nfs/dbraw/zinc/18/90/26/589189026.db2.gz FYZPAYJRCMBPMZ-STQMWFEESA-N 1 3 330.473 0.898 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC[C@@H]21 ZINC000867428401 589210390 /nfs/dbraw/zinc/21/03/90/589210390.db2.gz JXWVYVNHXLZWBR-OAGGEKHMSA-N 1 3 334.464 0.236 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC[C@@H]21 ZINC000867428401 589210391 /nfs/dbraw/zinc/21/03/91/589210391.db2.gz JXWVYVNHXLZWBR-OAGGEKHMSA-N 1 3 334.464 0.236 20 0 ECADHO COc1ccc(CCNC(=[NH2+])NC[C@]2(O)CCN(C)C2)cc1OC ZINC000849085734 589319575 /nfs/dbraw/zinc/31/95/75/589319575.db2.gz ZKHXNFWZTXKBRO-QGZVFWFLSA-N 1 3 336.436 0.427 20 0 ECADHO C[C@@H]1CN(C(=[NH2+])NCCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000849094072 589319970 /nfs/dbraw/zinc/31/99/70/589319970.db2.gz ANPWKHBHDSZLFL-KGLIPLIRSA-N 1 3 325.457 0.174 20 0 ECADHO C[C@@H]1CN(CCCNC(=[NH2+])NCCCN2CCOCC2)CCCO1 ZINC000849103814 589320320 /nfs/dbraw/zinc/32/03/20/589320320.db2.gz BPYHHUXIYRFINJ-MRXNPFEDSA-N 1 3 341.500 0.324 20 0 ECADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(OCCOC)CCOCC1 ZINC000849112796 589320719 /nfs/dbraw/zinc/32/07/19/589320719.db2.gz CTPRTTNNBBGKAG-HNNXBMFYSA-N 1 3 342.484 0.797 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000851682508 589412931 /nfs/dbraw/zinc/41/29/31/589412931.db2.gz UCVUKYOJJPDFSI-YJBOKZPZSA-N 1 3 334.464 0.873 20 0 ECADHO Cc1cc(NC(=O)CCN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)no1 ZINC000866706929 589760225 /nfs/dbraw/zinc/76/02/25/589760225.db2.gz DCLWHXCVIFEAOU-UPJWGTAASA-N 1 3 349.391 0.179 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867518482 589798160 /nfs/dbraw/zinc/79/81/60/589798160.db2.gz AHDRUMVGAXSWKT-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000867518482 589798163 /nfs/dbraw/zinc/79/81/63/589798163.db2.gz AHDRUMVGAXSWKT-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868047866 589870721 /nfs/dbraw/zinc/87/07/21/589870721.db2.gz DHZCZVZZQCYHNT-SJORKVTESA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868047866 589870723 /nfs/dbraw/zinc/87/07/23/589870723.db2.gz DHZCZVZZQCYHNT-SJORKVTESA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000861765128 589889544 /nfs/dbraw/zinc/88/95/44/589889544.db2.gz LTDSTAFFFFYVIQ-UXLLHSPISA-N 1 3 346.475 0.961 20 0 ECADHO CN1CCN(C2CCN(C(=O)NC[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000868367944 589897037 /nfs/dbraw/zinc/89/70/37/589897037.db2.gz YQVJBTNYMYRTTD-INIZCTEOSA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCN(C2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000868367944 589897040 /nfs/dbraw/zinc/89/70/40/589897040.db2.gz YQVJBTNYMYRTTD-INIZCTEOSA-N 1 3 337.512 0.750 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000868368417 589897387 /nfs/dbraw/zinc/89/73/87/589897387.db2.gz KELJQTMVQXPWGR-KSSFIOAISA-N 1 3 338.496 0.763 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868392185 589901205 /nfs/dbraw/zinc/90/12/05/589901205.db2.gz UQLBMMIIPAJCOI-KSSFIOAISA-N 1 3 338.496 0.763 20 0 ECADHO CCn1cc(CCN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cn1 ZINC000863547857 590021860 /nfs/dbraw/zinc/02/18/60/590021860.db2.gz LUSKKJMESUQJKM-CVEARBPZSA-N 1 3 333.436 0.703 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000863761142 590035421 /nfs/dbraw/zinc/03/54/21/590035421.db2.gz DMWIKMOMYIHPJE-ZBFHGGJFSA-N 1 3 332.448 0.525 20 0 ECADHO COCCN(C)CCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870879268 590037211 /nfs/dbraw/zinc/03/72/11/590037211.db2.gz BNRMBSHCCCEIRW-UHFFFAOYSA-N 1 3 326.466 0.918 20 0 ECADHO CN1CCN(C2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)CC1 ZINC000870981635 590042616 /nfs/dbraw/zinc/04/26/16/590042616.db2.gz NIIGNYSHXFUIHC-SFHVURJKSA-N 1 3 330.476 0.967 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1=O ZINC000871358494 590060963 /nfs/dbraw/zinc/06/09/63/590060963.db2.gz VLBXBILOVMWBNA-KSTDHSDQSA-N 1 3 338.496 0.776 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000872254421 590108511 /nfs/dbraw/zinc/10/85/11/590108511.db2.gz CPNWIRPSGQXDFO-CWRNSKLLSA-N 1 3 327.388 0.930 20 0 ECADHO NC1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC2(CCC2)C1 ZINC000872303657 590112765 /nfs/dbraw/zinc/11/27/65/590112765.db2.gz ASIFIBJUBMZOCX-XQQFMLRXSA-N 1 3 334.420 0.042 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+](C)C1CC1 ZINC000865003243 590119758 /nfs/dbraw/zinc/11/97/58/590119758.db2.gz HINHAONOJIAYBF-ZDUSSCGKSA-N 1 3 328.457 0.652 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000865003243 590119760 /nfs/dbraw/zinc/11/97/60/590119760.db2.gz HINHAONOJIAYBF-ZDUSSCGKSA-N 1 3 328.457 0.652 20 0 ECADHO C[N@@H+]1CCCN(CCCNCc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865450309 590145821 /nfs/dbraw/zinc/14/58/21/590145821.db2.gz KWFQPYBPMWIGCP-KRWDZBQOSA-N 1 3 336.484 0.574 20 0 ECADHO C[N@H+]1CCCN(CCCNCc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865450309 590145823 /nfs/dbraw/zinc/14/58/23/590145823.db2.gz KWFQPYBPMWIGCP-KRWDZBQOSA-N 1 3 336.484 0.574 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1(C)C ZINC000875225606 590284072 /nfs/dbraw/zinc/28/40/72/590284072.db2.gz PEVBKOPIKUYXCA-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO CN1CC[NH+](C2CCN(C[C@H](O)COCc3ccco3)CC2)CC1 ZINC000879590770 590326983 /nfs/dbraw/zinc/32/69/83/590326983.db2.gz DJECBFFAUIFZSV-KRWDZBQOSA-N 1 3 337.464 0.869 20 0 ECADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](N)CN(C)C)CCOCC1)c1ccccc1 ZINC000876766233 590411560 /nfs/dbraw/zinc/41/15/60/590411560.db2.gz FVSRBFFQGDDIOZ-WBVHZDCISA-N 1 3 348.491 0.892 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793974 590415911 /nfs/dbraw/zinc/41/59/11/590415911.db2.gz JYWDMSQYXSOEHJ-UHFFFAOYSA-N 1 3 327.469 0.573 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1=O ZINC000877258556 590450964 /nfs/dbraw/zinc/45/09/64/590450964.db2.gz OUYXJKWVEQAKNJ-KDOFPFPSSA-N 1 3 338.496 0.620 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1(C)C ZINC000877332284 590458197 /nfs/dbraw/zinc/45/81/97/590458197.db2.gz XPQAPSKPWBWRBH-LBTNJELSSA-N 1 3 339.480 0.794 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000877343189 590459564 /nfs/dbraw/zinc/45/95/64/590459564.db2.gz JTYFBNUQPHGDLL-GJZGRUSLSA-N 1 3 325.416 0.931 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CCN1c1ccncc1 ZINC000883639955 590638597 /nfs/dbraw/zinc/63/85/97/590638597.db2.gz CPLOEQXCBQEMLK-AWEZNQCLSA-N 1 3 345.447 0.459 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC000883643646 590639392 /nfs/dbraw/zinc/63/93/92/590639392.db2.gz QPGIANMFQQBEGN-CABCVRRESA-N 1 3 345.447 0.329 20 0 ECADHO CN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C1(CN)CCCCC1 ZINC000883655199 590643860 /nfs/dbraw/zinc/64/38/60/590643860.db2.gz XUKQBXMJJVJIIK-LSDHHAIUSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C1(CN)CCCCC1 ZINC000883655199 590643863 /nfs/dbraw/zinc/64/38/63/590643863.db2.gz XUKQBXMJJVJIIK-LSDHHAIUSA-N 1 3 336.480 0.659 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885012568 590669229 /nfs/dbraw/zinc/66/92/29/590669229.db2.gz DTHAZQNIJKMZRH-JONQDZQNSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CCSC1 ZINC000884192098 590769497 /nfs/dbraw/zinc/76/94/97/590769497.db2.gz VWJOCTSMSXQPDA-KRWDZBQOSA-N 1 3 349.504 0.658 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884232969 590783536 /nfs/dbraw/zinc/78/35/36/590783536.db2.gz FCEONMHBUMOVNU-CJNGLKHVSA-N 1 3 329.448 0.704 20 0 ECADHO COCC[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000884343730 590810786 /nfs/dbraw/zinc/81/07/86/590810786.db2.gz JYZACIPQBKNPQY-INIZCTEOSA-N 1 3 334.464 0.460 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000884502127 590844688 /nfs/dbraw/zinc/84/46/88/590844688.db2.gz BMDFZOCDDXNVNS-HZPDHXFCSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884576104 590861507 /nfs/dbraw/zinc/86/15/07/590861507.db2.gz AAOKBTZJTALDHG-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884576824 590861609 /nfs/dbraw/zinc/86/16/09/590861609.db2.gz RCNFSWJBVBRTEH-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCNCCC12CCC2 ZINC000884626553 590875583 /nfs/dbraw/zinc/87/55/83/590875583.db2.gz OOHNHMTYRWDUCB-HUUCEWRRSA-N 1 3 334.464 0.474 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCNCCC12CCC2 ZINC000884626553 590875586 /nfs/dbraw/zinc/87/55/86/590875586.db2.gz OOHNHMTYRWDUCB-HUUCEWRRSA-N 1 3 334.464 0.474 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884702782 590901831 /nfs/dbraw/zinc/90/18/31/590901831.db2.gz KUPVCQGBSCHXFF-DZGCQCFKSA-N 1 3 333.436 0.218 20 0 ECADHO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000884706679 590903283 /nfs/dbraw/zinc/90/32/83/590903283.db2.gz KRJPPQXNKITVAJ-HNNXBMFYSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CCN1c1ccncc1 ZINC000884715663 590906111 /nfs/dbraw/zinc/90/61/11/590906111.db2.gz AMPQGHLRQQBDHX-CABCVRRESA-N 1 3 345.447 0.377 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCN(C3CCCCC3)C1)C2 ZINC000884782152 590921491 /nfs/dbraw/zinc/92/14/91/590921491.db2.gz BUFFIMKMNOHGKX-YZVOILCLSA-N 1 3 348.491 0.578 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000884782703 590921632 /nfs/dbraw/zinc/92/16/32/590921632.db2.gz KHKPEINWISNEQC-ZBFHGGJFSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000887076191 590939179 /nfs/dbraw/zinc/93/91/79/590939179.db2.gz ZZCYKXZMAMCKAI-UHFFFAOYSA-N 1 3 340.855 0.647 20 0 ECADHO COCCOCCOCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000930137343 611393839 /nfs/dbraw/zinc/39/38/39/611393839.db2.gz RVFMEPVZFMGBHX-QZTJIDSGSA-N 1 3 343.512 0.624 20 0 ECADHO COCCOCCOCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000930137343 611393842 /nfs/dbraw/zinc/39/38/42/611393842.db2.gz RVFMEPVZFMGBHX-QZTJIDSGSA-N 1 3 343.512 0.624 20 0 ECADHO COCCOCCOCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000930137343 611393843 /nfs/dbraw/zinc/39/38/43/611393843.db2.gz RVFMEPVZFMGBHX-QZTJIDSGSA-N 1 3 343.512 0.624 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946689722 611415203 /nfs/dbraw/zinc/41/52/03/611415203.db2.gz HPKWXMGRSIXRPW-FNYPPERVSA-N 1 3 349.475 0.012 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946689722 611415204 /nfs/dbraw/zinc/41/52/04/611415204.db2.gz HPKWXMGRSIXRPW-FNYPPERVSA-N 1 3 349.475 0.012 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2CC1)N(C)C ZINC000946784900 611476552 /nfs/dbraw/zinc/47/65/52/611476552.db2.gz ZSHKAIOVIHQVKG-BBWFWOEESA-N 1 3 348.495 0.789 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]2CC1)N(C)C ZINC000946784900 611476555 /nfs/dbraw/zinc/47/65/55/611476555.db2.gz ZSHKAIOVIHQVKG-BBWFWOEESA-N 1 3 348.495 0.789 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1 ZINC000925331304 611470838 /nfs/dbraw/zinc/47/08/38/611470838.db2.gz IIXNGKBRSDWNFQ-LZWOXQAQSA-N 1 3 326.485 0.813 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2CC1 ZINC000946800797 611490270 /nfs/dbraw/zinc/49/02/70/611490270.db2.gz LSXPYIFWZVGPIO-GASCZTMLSA-N 1 3 343.435 0.414 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]2CC1 ZINC000946800797 611490272 /nfs/dbraw/zinc/49/02/72/611490272.db2.gz LSXPYIFWZVGPIO-GASCZTMLSA-N 1 3 343.435 0.414 20 0 ECADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCN[C@@H]2C)N(c2cc(N(C)C)ncn2)C1 ZINC000925730863 611495794 /nfs/dbraw/zinc/49/57/94/611495794.db2.gz RDWKPOWMSKNURI-FXUDXRNXSA-N 1 3 348.495 0.866 20 0 ECADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCC1(S(=O)(=O)N(C)C)CC1 ZINC000925773931 611499570 /nfs/dbraw/zinc/49/95/70/611499570.db2.gz IEXLJNPYPZRZDN-NSHDSACASA-N 1 3 326.466 0.923 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000948411139 611578258 /nfs/dbraw/zinc/57/82/58/611578258.db2.gz YKVSLJLCZXTHJO-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000948411139 611578262 /nfs/dbraw/zinc/57/82/62/611578262.db2.gz YKVSLJLCZXTHJO-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000931898322 611583986 /nfs/dbraw/zinc/58/39/86/611583986.db2.gz FOKQSPZNGXVBHG-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000931898322 611583989 /nfs/dbraw/zinc/58/39/89/611583989.db2.gz FOKQSPZNGXVBHG-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)CC[C@H]21 ZINC000927628540 611620215 /nfs/dbraw/zinc/62/02/15/611620215.db2.gz CIMBWPPPAVLUNM-DJIMGWMZSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)CC[C@H]21 ZINC000927628540 611620218 /nfs/dbraw/zinc/62/02/18/611620218.db2.gz CIMBWPPPAVLUNM-DJIMGWMZSA-N 1 3 336.480 0.975 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000927639453 611623422 /nfs/dbraw/zinc/62/34/22/611623422.db2.gz BFRRXJFNTKOSFO-IAGOWNOFSA-N 1 3 334.464 0.895 20 0 ECADHO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000927639453 611623423 /nfs/dbraw/zinc/62/34/23/611623423.db2.gz BFRRXJFNTKOSFO-IAGOWNOFSA-N 1 3 334.464 0.895 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000936908955 608644388 /nfs/dbraw/zinc/64/43/88/608644388.db2.gz DKFMGFJXEJSABL-CABCVRRESA-N 1 3 334.464 0.236 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCn1cncn1 ZINC000947684358 611650548 /nfs/dbraw/zinc/65/05/48/611650548.db2.gz IAFCNNJMZULSEO-GDBMZVCRSA-N 1 3 334.468 0.589 20 0 ECADHO CC[C@@H](C(=O)N1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000947522693 608856747 /nfs/dbraw/zinc/85/67/47/608856747.db2.gz ZTIZACVIFNHPGS-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000947522693 608856749 /nfs/dbraw/zinc/85/67/49/608856749.db2.gz ZTIZACVIFNHPGS-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000936336233 609080973 /nfs/dbraw/zinc/08/09/73/609080973.db2.gz FPPVHHKMIGDHBX-MELADBBJSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000936336233 609080975 /nfs/dbraw/zinc/08/09/75/609080975.db2.gz FPPVHHKMIGDHBX-MELADBBJSA-N 1 3 333.436 0.400 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CCC1 ZINC000938007339 609456314 /nfs/dbraw/zinc/45/63/14/609456314.db2.gz GYPGVADZZKXZDM-JKSUJKDBSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H](C(=O)N[C@H]1CCC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000907734413 609617705 /nfs/dbraw/zinc/61/77/05/609617705.db2.gz WYXBRJNJYFUSHR-AJNGGQMLSA-N 1 3 326.485 0.820 20 0 ECADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000908202573 609647205 /nfs/dbraw/zinc/64/72/05/609647205.db2.gz JNBDEYHQCQQWGA-IEBWSBKVSA-N 1 3 347.459 0.196 20 0 ECADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000908202573 609647206 /nfs/dbraw/zinc/64/72/06/609647206.db2.gz JNBDEYHQCQQWGA-IEBWSBKVSA-N 1 3 347.459 0.196 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000910596565 609737331 /nfs/dbraw/zinc/73/73/31/609737331.db2.gz GUDXARDZYYBVHB-MAUKXSAKSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000910596565 609737333 /nfs/dbraw/zinc/73/73/33/609737333.db2.gz GUDXARDZYYBVHB-MAUKXSAKSA-N 1 3 336.480 0.339 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000910976323 609787193 /nfs/dbraw/zinc/78/71/93/609787193.db2.gz HYGHVPYSRYWZOT-APHBMKBZSA-N 1 3 332.448 0.574 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)N(C)Cc1ccccc1 ZINC000911010999 609793843 /nfs/dbraw/zinc/79/38/43/609793843.db2.gz ZZQCTDUXZYKBGP-GDBMZVCRSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000911161240 609817878 /nfs/dbraw/zinc/81/78/78/609817878.db2.gz JJDZMWDIKIGILM-RVKKMQEKSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[C@H]1C[NH3+] ZINC000911258598 609837989 /nfs/dbraw/zinc/83/79/89/609837989.db2.gz SBVRDANQVVKDEX-ILXRZTDVSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[C@H]1C[NH3+] ZINC000911324746 609847722 /nfs/dbraw/zinc/84/77/22/609847722.db2.gz KPPOVZNCVLKSOA-QXSJWSMHSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543739 609851329 /nfs/dbraw/zinc/85/13/29/609851329.db2.gz BASUFKNOYXJQSS-OAHLLOKOSA-N 1 3 334.464 0.237 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938545441 609860098 /nfs/dbraw/zinc/86/00/98/609860098.db2.gz FDTCOPONQHCLOE-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938545441 609860099 /nfs/dbraw/zinc/86/00/99/609860099.db2.gz FDTCOPONQHCLOE-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563086 609897332 /nfs/dbraw/zinc/89/73/32/609897332.db2.gz JGSHRLCBLARIEU-HDJSIYSDSA-N 1 3 338.477 0.492 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939544770 610233031 /nfs/dbraw/zinc/23/30/31/610233031.db2.gz MODUVHHVFBQKSU-UKRRQHHQSA-N 1 3 346.479 0.639 20 0 ECADHO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000940842519 610395903 /nfs/dbraw/zinc/39/59/03/610395903.db2.gz IPXONLZEWPWVDV-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000940842519 610395905 /nfs/dbraw/zinc/39/59/05/610395905.db2.gz IPXONLZEWPWVDV-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C(=O)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842519 610395907 /nfs/dbraw/zinc/39/59/07/610395907.db2.gz IPXONLZEWPWVDV-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)C(=O)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842519 610395911 /nfs/dbraw/zinc/39/59/11/610395911.db2.gz IPXONLZEWPWVDV-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000940902218 610426858 /nfs/dbraw/zinc/42/68/58/610426858.db2.gz ZKXSHBZYHZKAMR-NWPKHEMWSA-N 1 3 337.464 0.059 20 0 ECADHO CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000940902218 610426860 /nfs/dbraw/zinc/42/68/60/610426860.db2.gz ZKXSHBZYHZKAMR-NWPKHEMWSA-N 1 3 337.464 0.059 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000941643178 610436600 /nfs/dbraw/zinc/43/66/00/610436600.db2.gz LSBPQJBEJLYPPB-CABCVRRESA-N 1 3 334.464 0.426 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000941691052 610465721 /nfs/dbraw/zinc/46/57/21/610465721.db2.gz IGYWGSYHFXKYNE-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC000941102917 610537615 /nfs/dbraw/zinc/53/76/15/610537615.db2.gz XMHDSONGJFVCIC-JKSUJKDBSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC000941102917 610537616 /nfs/dbraw/zinc/53/76/16/610537616.db2.gz XMHDSONGJFVCIC-JKSUJKDBSA-N 1 3 336.480 0.339 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000941931934 610569544 /nfs/dbraw/zinc/56/95/44/610569544.db2.gz PLQZSZZRGHHMOR-MGPQQGTHSA-N 1 3 333.436 0.318 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000941931934 610569546 /nfs/dbraw/zinc/56/95/46/610569546.db2.gz PLQZSZZRGHHMOR-MGPQQGTHSA-N 1 3 333.436 0.318 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000942798943 610626589 /nfs/dbraw/zinc/62/65/89/610626589.db2.gz QKSKYSODYNSNNI-HIFRSBDPSA-N 1 3 333.436 0.353 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000942798943 610626590 /nfs/dbraw/zinc/62/65/90/610626590.db2.gz QKSKYSODYNSNNI-HIFRSBDPSA-N 1 3 333.436 0.353 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000941305284 610657488 /nfs/dbraw/zinc/65/74/88/610657488.db2.gz IMAXXNHFZZSBTD-GDBMZVCRSA-N 1 3 336.480 0.387 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000944300544 610827994 /nfs/dbraw/zinc/82/79/94/610827994.db2.gz OFSDUDZHCPFOPW-FPCVCCKLSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000944300544 610827996 /nfs/dbraw/zinc/82/79/96/610827996.db2.gz OFSDUDZHCPFOPW-FPCVCCKLSA-N 1 3 338.496 0.774 20 0 ECADHO CN(C(=O)NCCCc1nc[nH]n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000923136923 611207310 /nfs/dbraw/zinc/20/73/10/611207310.db2.gz GSXOWMWICOWXLF-HNNXBMFYSA-N 1 3 349.483 0.547 20 0 ECADHO CN(C(=O)NCCCc1nc[nH]n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000923136923 611207313 /nfs/dbraw/zinc/20/73/13/611207313.db2.gz GSXOWMWICOWXLF-HNNXBMFYSA-N 1 3 349.483 0.547 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000923200921 611214007 /nfs/dbraw/zinc/21/40/07/611214007.db2.gz GMHSHOGFFSPAKQ-GJZGRUSLSA-N 1 3 341.500 0.426 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000923200921 611214008 /nfs/dbraw/zinc/21/40/08/611214008.db2.gz GMHSHOGFFSPAKQ-GJZGRUSLSA-N 1 3 341.500 0.426 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H](O)c2ccc(F)cc2F)C1 ZINC000923282445 611224325 /nfs/dbraw/zinc/22/43/25/611224325.db2.gz WEGQRZGUSCZQFC-ABAIWWIYSA-N 1 3 327.375 0.785 20 0 ECADHO COC(=O)[C@@H]1CCN(CCN2CC[NH2+]CC2)[C@H]([C@H]2CCCO2)C1 ZINC000923554752 611260052 /nfs/dbraw/zinc/26/00/52/611260052.db2.gz OXVWUNBPXBAYJE-OWCLPIDISA-N 1 3 325.453 0.324 20 0 ECADHO COC(=O)[C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]([C@H]2CCCO2)C1 ZINC000923550979 611260687 /nfs/dbraw/zinc/26/06/87/611260687.db2.gz IQFGOZHMKPJPAT-FXUDXRNXSA-N 1 3 338.448 0.798 20 0 ECADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2C[NH2+]CCCO2)cc(Cl)n1 ZINC000834860541 611304645 /nfs/dbraw/zinc/30/46/45/611304645.db2.gz BSRDDQYIUMXMFR-OLZOCXBDSA-N 1 3 326.828 0.928 20 0 ECADHO O=S(=O)(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CCNCC1 ZINC000923655280 611336767 /nfs/dbraw/zinc/33/67/67/611336767.db2.gz QFQRIWQCAUENJK-GJZGRUSLSA-N 1 3 342.440 0.011 20 0 ECADHO CN(CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CCOCCO ZINC000922119195 611336997 /nfs/dbraw/zinc/33/69/97/611336997.db2.gz OETPKJDWZVQVHA-MRXNPFEDSA-N 1 3 327.469 0.450 20 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/nfs/dbraw/zinc/01/26/28/612012628.db2.gz OSYOFHNPCYGMBS-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000951926870 612137654 /nfs/dbraw/zinc/13/76/54/612137654.db2.gz XAYNHPBPFAJORX-INIZCTEOSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000952153584 612252169 /nfs/dbraw/zinc/25/21/69/612252169.db2.gz RPPIUVCEOJMZSZ-UMVBOHGHSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000952153584 612252172 /nfs/dbraw/zinc/25/21/72/612252172.db2.gz RPPIUVCEOJMZSZ-UMVBOHGHSA-N 1 3 333.436 0.400 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000953817646 612314482 /nfs/dbraw/zinc/31/44/82/612314482.db2.gz CVDJQXJRAJGBGD-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000953817646 612314486 /nfs/dbraw/zinc/31/44/86/612314486.db2.gz CVDJQXJRAJGBGD-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000955342480 612466783 /nfs/dbraw/zinc/46/67/83/612466783.db2.gz ZRQDQNDCNQNQPV-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000955342480 612466787 /nfs/dbraw/zinc/46/67/87/612466787.db2.gz ZRQDQNDCNQNQPV-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@@H](C(=O)N1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000953949441 612480241 /nfs/dbraw/zinc/48/02/41/612480241.db2.gz DQVGMAIMTHROLE-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000953949441 612480243 /nfs/dbraw/zinc/48/02/43/612480243.db2.gz DQVGMAIMTHROLE-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000955926446 612491218 /nfs/dbraw/zinc/49/12/18/612491218.db2.gz CSWNHZAJPSYSCH-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000955443418 612590042 /nfs/dbraw/zinc/59/00/42/612590042.db2.gz FZXDTXQHZURHLV-UKRRQHHQSA-N 1 3 347.463 0.742 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC(N(C)C(=O)Cc3c[nH]cn3)C2)C1 ZINC000955444204 612591914 /nfs/dbraw/zinc/59/19/14/612591914.db2.gz SCKFSOZZLHXKQQ-AWEZNQCLSA-N 1 3 347.463 0.599 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC(N(C)C(=O)Cc3c[nH]cn3)C2)C1 ZINC000955444204 612591916 /nfs/dbraw/zinc/59/19/16/612591916.db2.gz SCKFSOZZLHXKQQ-AWEZNQCLSA-N 1 3 347.463 0.599 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788314 782210004 /nfs/dbraw/zinc/21/00/04/782210004.db2.gz BQXPQWJTSZJXRD-MAUKXSAKSA-N 1 3 348.491 0.483 20 0 ECADHO O=C(N1CC[C@@]2(CCN([C@H]3CCCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001041789183 782212860 /nfs/dbraw/zinc/21/28/60/782212860.db2.gz NEKZIMZGHWPKFV-MAUKXSAKSA-N 1 3 346.475 0.285 20 0 ECADHO CC[C@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041789966 782213747 /nfs/dbraw/zinc/21/37/47/782213747.db2.gz WOEWQRINVHETQE-RHSMWYFYSA-N 1 3 334.464 0.271 20 0 ECADHO CN1CC[C@@H](NC[C@@H]2CCCCN2C(=O)C23CCC[NH+]2CCC3)C1=O ZINC001025011073 738490751 /nfs/dbraw/zinc/49/07/51/738490751.db2.gz SWPMAZGOHUMYNJ-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2cccc(C(N)=O)c2)C1 ZINC000969952076 732556271 /nfs/dbraw/zinc/55/62/71/732556271.db2.gz VDWZYDLZMGBVFF-RHSMWYFYSA-N 1 3 344.459 0.960 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2cccc(C(N)=O)c2)C1 ZINC000969952076 732556276 /nfs/dbraw/zinc/55/62/76/732556276.db2.gz VDWZYDLZMGBVFF-RHSMWYFYSA-N 1 3 344.459 0.960 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2cccc(C(N)=O)c2)C1 ZINC000969952079 732556325 /nfs/dbraw/zinc/55/63/25/732556325.db2.gz VDWZYDLZMGBVFF-WMLDXEAASA-N 1 3 344.459 0.960 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2cccc(C(N)=O)c2)C1 ZINC000969952079 732556329 /nfs/dbraw/zinc/55/63/29/732556329.db2.gz VDWZYDLZMGBVFF-WMLDXEAASA-N 1 3 344.459 0.960 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1CNCc1cnnn1C ZINC001025084812 738621329 /nfs/dbraw/zinc/62/13/29/738621329.db2.gz IKFPJDUKPYLINR-HUUCEWRRSA-N 1 3 334.468 0.770 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1CNCc1cnnn1C ZINC001025084812 738621331 /nfs/dbraw/zinc/62/13/31/738621331.db2.gz IKFPJDUKPYLINR-HUUCEWRRSA-N 1 3 334.468 0.770 20 0 ECADHO CN1CCC[C@H]([N@@H+]2CC[C@@]3(CCN(C(=O)CN4CCCC4)C3)C2)C1=O ZINC001041831542 782297392 /nfs/dbraw/zinc/29/73/92/782297392.db2.gz NPYBACULMSDIFX-QFBILLFUSA-N 1 3 348.491 0.627 20 0 ECADHO CN1CCC[C@H]([N@H+]2CC[C@@]3(CCN(C(=O)CN4CCCC4)C3)C2)C1=O ZINC001041831542 782297402 /nfs/dbraw/zinc/29/74/02/782297402.db2.gz NPYBACULMSDIFX-QFBILLFUSA-N 1 3 348.491 0.627 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCN2CCCC2=O)CC1)N(C)C ZINC001167251580 733095831 /nfs/dbraw/zinc/09/58/31/733095831.db2.gz WYCOPFVZMUYDIZ-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC001167260678 733104840 /nfs/dbraw/zinc/10/48/40/733104840.db2.gz DLJGYRXDBACMDM-STQMWFEESA-N 1 3 338.452 0.008 20 0 ECADHO Cn1cncc1CN[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970231623 733246949 /nfs/dbraw/zinc/24/69/49/733246949.db2.gz VVIALLIXFQSTKN-OAHLLOKOSA-N 1 3 345.451 0.183 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)CC1 ZINC000970333890 733376255 /nfs/dbraw/zinc/37/62/55/733376255.db2.gz CJZBBQNBXJGZTI-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC1 ZINC000970333900 733376548 /nfs/dbraw/zinc/37/65/48/733376548.db2.gz CUXLLTJQNZCLEV-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC000970478087 733592529 /nfs/dbraw/zinc/59/25/29/733592529.db2.gz HLNJLARFZAYSHG-GDBMZVCRSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC000970478087 733592532 /nfs/dbraw/zinc/59/25/32/733592532.db2.gz HLNJLARFZAYSHG-GDBMZVCRSA-N 1 3 347.463 0.826 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970866981 734027184 /nfs/dbraw/zinc/02/71/84/734027184.db2.gz AMRVAVYTRQNCLP-UKRRQHHQSA-N 1 3 332.448 0.274 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970866981 734027186 /nfs/dbraw/zinc/02/71/86/734027186.db2.gz AMRVAVYTRQNCLP-UKRRQHHQSA-N 1 3 332.448 0.274 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001211286526 734250567 /nfs/dbraw/zinc/25/05/67/734250567.db2.gz VPDCLBWACDMWKR-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCCCN2C(C)C)C1=O ZINC001167635695 736186942 /nfs/dbraw/zinc/18/69/42/736186942.db2.gz NOCGGRZWIBERID-JKSUJKDBSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001167636703 736189729 /nfs/dbraw/zinc/18/97/29/736189729.db2.gz YQLFPKRRDGKOLD-GJZGRUSLSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](CNCc2cnnn2C)C1 ZINC001087236321 736481568 /nfs/dbraw/zinc/48/15/68/736481568.db2.gz QWPHNHIZEHEZGR-PMPSAXMXSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](CNCc2cnnn2C)C1 ZINC001087236321 736481570 /nfs/dbraw/zinc/48/15/70/736481570.db2.gz QWPHNHIZEHEZGR-PMPSAXMXSA-N 1 3 348.495 0.874 20 0 ECADHO CN1CCC[C@@H](N2CCC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001023703678 737213766 /nfs/dbraw/zinc/21/37/66/737213766.db2.gz QHFBHXWUEZVNOV-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023707189 737224305 /nfs/dbraw/zinc/22/43/05/737224305.db2.gz LTOWSKJRPVTYOI-CYBMUJFWSA-N 1 3 333.436 0.335 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023707189 737224308 /nfs/dbraw/zinc/22/43/08/737224308.db2.gz LTOWSKJRPVTYOI-CYBMUJFWSA-N 1 3 333.436 0.335 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001023891506 737461294 /nfs/dbraw/zinc/46/12/94/737461294.db2.gz QSBTUSAEGHJZEC-ZBFHGGJFSA-N 1 3 347.463 0.908 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001023890237 737465002 /nfs/dbraw/zinc/46/50/02/737465002.db2.gz WHNBRLXJPSPELI-HOCLYGCPSA-N 1 3 347.463 0.908 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000972734070 737563612 /nfs/dbraw/zinc/56/36/12/737563612.db2.gz VHLMMUQAFGHOQX-DLBZAZTESA-N 1 3 348.495 0.769 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000972734070 737563615 /nfs/dbraw/zinc/56/36/15/737563615.db2.gz VHLMMUQAFGHOQX-DLBZAZTESA-N 1 3 348.495 0.769 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001023986123 737583073 /nfs/dbraw/zinc/58/30/73/737583073.db2.gz CKQGCBAXPDKTDC-WMLDXEAASA-N 1 3 346.479 0.485 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001024016371 737616042 /nfs/dbraw/zinc/61/60/42/737616042.db2.gz DPHOQFJWSZOLJT-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO Cn1cc(CNC[C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001024017555 737621463 /nfs/dbraw/zinc/62/14/63/737621463.db2.gz FXYAQFPHZXFNNT-CZUORRHYSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](CNCc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001024120030 737736729 /nfs/dbraw/zinc/73/67/29/737736729.db2.gz JKQYFZVATWLHMO-XHSDSOJGSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](CNCc3cn(C)nn3)C2)CC[N@H+]1C ZINC001024120030 737736733 /nfs/dbraw/zinc/73/67/33/737736733.db2.gz JKQYFZVATWLHMO-XHSDSOJGSA-N 1 3 348.495 0.874 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001024211651 737816052 /nfs/dbraw/zinc/81/60/52/737816052.db2.gz FQXOEDSYIGDMNK-HZPDHXFCSA-N 1 3 336.480 0.435 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024264432 737871212 /nfs/dbraw/zinc/87/12/12/737871212.db2.gz QSUJDDLBXFEULX-GJZGRUSLSA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024264432 737871216 /nfs/dbraw/zinc/87/12/16/737871216.db2.gz QSUJDDLBXFEULX-GJZGRUSLSA-N 1 3 334.468 0.578 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000973488665 739387190 /nfs/dbraw/zinc/38/71/90/739387190.db2.gz XQDCAYQBSGFIGM-ZRJCITRHSA-N 1 3 333.436 0.222 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000973488665 739387192 /nfs/dbraw/zinc/38/71/92/739387192.db2.gz XQDCAYQBSGFIGM-ZRJCITRHSA-N 1 3 333.436 0.222 20 0 ECADHO CC(C)N1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](n2ccnn2)C1 ZINC001070009098 790312803 /nfs/dbraw/zinc/31/28/03/790312803.db2.gz JTMRICVHRKXVKY-CABCVRRESA-N 1 3 346.435 0.996 20 0 ECADHO CC(C)[N@@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](n2ccnn2)C1 ZINC001070009098 790312807 /nfs/dbraw/zinc/31/28/07/790312807.db2.gz JTMRICVHRKXVKY-CABCVRRESA-N 1 3 346.435 0.996 20 0 ECADHO CC(C)[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](n2ccnn2)C1 ZINC001070009098 790312813 /nfs/dbraw/zinc/31/28/13/790312813.db2.gz JTMRICVHRKXVKY-CABCVRRESA-N 1 3 346.435 0.996 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026040851 740326700 /nfs/dbraw/zinc/32/67/00/740326700.db2.gz LOTIWNLYIVFKFK-KDEOKCCVSA-N 1 3 334.464 0.138 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026040851 740326705 /nfs/dbraw/zinc/32/67/05/740326705.db2.gz LOTIWNLYIVFKFK-KDEOKCCVSA-N 1 3 334.464 0.138 20 0 ECADHO CC(C)N1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001026043291 740334598 /nfs/dbraw/zinc/33/45/98/740334598.db2.gz JMSJUJSMBNRIKD-LFRCEIEQSA-N 1 3 348.491 0.384 20 0 ECADHO CC(C)N1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001026043291 740334607 /nfs/dbraw/zinc/33/46/07/740334607.db2.gz JMSJUJSMBNRIKD-LFRCEIEQSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026043493 740335852 /nfs/dbraw/zinc/33/58/52/740335852.db2.gz CANOZYQOKXDUOM-XHWCBRGXSA-N 1 3 348.491 0.291 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026043493 740335857 /nfs/dbraw/zinc/33/58/57/740335857.db2.gz CANOZYQOKXDUOM-XHWCBRGXSA-N 1 3 348.491 0.291 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001026086878 740364736 /nfs/dbraw/zinc/36/47/36/740364736.db2.gz XZTYLIPAFPEYHZ-JJTUDDRGSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001026086878 740364742 /nfs/dbraw/zinc/36/47/42/740364742.db2.gz XZTYLIPAFPEYHZ-JJTUDDRGSA-N 1 3 348.491 0.526 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099859 740372959 /nfs/dbraw/zinc/37/29/59/740372959.db2.gz IUEHEEZINUVLNH-ZBRFXRBCSA-N 1 3 343.475 0.946 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099859 740372964 /nfs/dbraw/zinc/37/29/64/740372964.db2.gz IUEHEEZINUVLNH-ZBRFXRBCSA-N 1 3 343.475 0.946 20 0 ECADHO Cc1nnc(CN[C@@H]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]23)[nH]1 ZINC001026400585 741235771 /nfs/dbraw/zinc/23/57/71/741235771.db2.gz LVVPHZNIUWAIIE-QLFBSQMISA-N 1 3 344.463 0.536 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000974326537 741322087 /nfs/dbraw/zinc/32/20/87/741322087.db2.gz QRKPXCKITURMDH-KFWWJZLASA-N 1 3 334.464 0.330 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105243152 741544421 /nfs/dbraw/zinc/54/44/21/741544421.db2.gz YAWISJSOTWEPDT-MRXNPFEDSA-N 1 3 332.452 0.503 20 0 ECADHO COc1coc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1=O ZINC001026734249 741739039 /nfs/dbraw/zinc/73/90/39/741739039.db2.gz LVLFNLABIXAHOV-ZFWWWQNUSA-N 1 3 349.431 0.681 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105326991 741806519 /nfs/dbraw/zinc/80/65/19/741806519.db2.gz NZMOXWZPMXITJB-AWEZNQCLSA-N 1 3 334.468 0.891 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105326991 741806523 /nfs/dbraw/zinc/80/65/23/741806523.db2.gz NZMOXWZPMXITJB-AWEZNQCLSA-N 1 3 334.468 0.891 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001026888206 742046167 /nfs/dbraw/zinc/04/61/67/742046167.db2.gz AHEDNVHKUTYXRX-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027064919 742434569 /nfs/dbraw/zinc/43/45/69/742434569.db2.gz MWXFWJKUJMCWGA-CABCVRRESA-N 1 3 334.468 0.578 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cncc(OC)n2)C1)N(C)C ZINC001027069873 742481898 /nfs/dbraw/zinc/48/18/98/742481898.db2.gz DGFYZMKWGQWFLD-HIFRSBDPSA-N 1 3 335.452 0.764 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027139548 742720522 /nfs/dbraw/zinc/72/05/22/742720522.db2.gz LSSKIHPFMKVPFW-INIZCTEOSA-N 1 3 348.495 0.968 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccn(C)c(=O)c3)CC2)C1 ZINC000996996143 743107479 /nfs/dbraw/zinc/10/74/79/743107479.db2.gz VEVUUTQFBDHFOW-HNNXBMFYSA-N 1 3 346.475 0.808 20 0 ECADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1)C(N)=O ZINC000996996944 743108716 /nfs/dbraw/zinc/10/87/16/743108716.db2.gz AVSOUQHLRXNIGE-PXAZEXFGSA-N 1 3 342.459 0.653 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997289923 743452040 /nfs/dbraw/zinc/45/20/40/743452040.db2.gz ONLIHSMICFKZFK-CJNGLKHVSA-N 1 3 338.496 0.809 20 0 ECADHO O=C(CN1CCCC1)N1CCC([NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000997304234 743467011 /nfs/dbraw/zinc/46/70/11/743467011.db2.gz ZUKWSOZFGMRKRW-QGZVFWFLSA-N 1 3 348.491 0.816 20 0 ECADHO COc1coc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cc1=O ZINC000997306334 743468743 /nfs/dbraw/zinc/46/87/43/743468743.db2.gz DMMVWTQUTDQMLZ-UHFFFAOYSA-N 1 3 349.431 0.825 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001020586019 751841654 /nfs/dbraw/zinc/84/16/54/751841654.db2.gz CHKHEQOGLGCWOE-ANQUJSFKSA-N 1 3 348.491 0.861 20 0 ECADHO CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020588821 751851238 /nfs/dbraw/zinc/85/12/38/751851238.db2.gz NMVYVDISSQLKHC-BPLDGKMQSA-N 1 3 334.468 0.685 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCN2CCCC2=O)C1 ZINC001027334907 743772165 /nfs/dbraw/zinc/77/21/65/743772165.db2.gz XTDSYKKGHWLGEK-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCN2CCCC2=O)C1 ZINC001027334907 743772167 /nfs/dbraw/zinc/77/21/67/743772167.db2.gz XTDSYKKGHWLGEK-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@]12CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@@]1(C)C[N@H+](CCO)C2 ZINC000982282773 751860525 /nfs/dbraw/zinc/86/05/25/751860525.db2.gz HJBMOJSHFZWIQY-AHCXZYCDSA-N 1 3 337.464 0.012 20 0 ECADHO C[C@]12CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982282773 751860537 /nfs/dbraw/zinc/86/05/37/751860537.db2.gz HJBMOJSHFZWIQY-AHCXZYCDSA-N 1 3 337.464 0.012 20 0 ECADHO CN(CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCO)C1)C1CCC1 ZINC000998271390 744090394 /nfs/dbraw/zinc/09/03/94/744090394.db2.gz XAEHGVHKUDFWHR-STQMWFEESA-N 1 3 337.386 0.832 20 0 ECADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC000976868357 744424398 /nfs/dbraw/zinc/42/43/98/744424398.db2.gz NCNKDSNJMULTOO-KDEOKCCVSA-N 1 3 336.480 0.241 20 0 ECADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000976868357 744424403 /nfs/dbraw/zinc/42/44/03/744424403.db2.gz NCNKDSNJMULTOO-KDEOKCCVSA-N 1 3 336.480 0.241 20 0 ECADHO CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000976935789 744490890 /nfs/dbraw/zinc/49/08/90/744490890.db2.gz WMDFFGOKKIQJBS-XUWVNRHRSA-N 1 3 348.491 0.528 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000976929012 744502149 /nfs/dbraw/zinc/50/21/49/744502149.db2.gz ZVJBUDSHNOPOPI-MAKQCAJESA-N 1 3 345.447 0.174 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000976929012 744502151 /nfs/dbraw/zinc/50/21/51/744502151.db2.gz ZVJBUDSHNOPOPI-MAKQCAJESA-N 1 3 345.447 0.174 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000999188819 744557806 /nfs/dbraw/zinc/55/78/06/744557806.db2.gz DGXYOZGCGKUAMZ-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000999188819 744557807 /nfs/dbraw/zinc/55/78/07/744557807.db2.gz DGXYOZGCGKUAMZ-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCN3CCCC3=O)C2)C1 ZINC000999410369 744682403 /nfs/dbraw/zinc/68/24/03/744682403.db2.gz WAZFJJXGTOQQPW-FHERZECASA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC000999481089 744717259 /nfs/dbraw/zinc/71/72/59/744717259.db2.gz AIPXJLQVJUGDSP-JKSUJKDBSA-N 1 3 336.484 0.816 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000977196538 744748321 /nfs/dbraw/zinc/74/83/21/744748321.db2.gz MOCKHGQOMZDFIV-LJIGWXMPSA-N 1 3 346.475 0.140 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000977203260 744783163 /nfs/dbraw/zinc/78/31/63/744783163.db2.gz MLQTVQFMIOWTQA-PVWIJFIWSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000977203260 744783165 /nfs/dbraw/zinc/78/31/65/744783165.db2.gz MLQTVQFMIOWTQA-PVWIJFIWSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999850930 744944760 /nfs/dbraw/zinc/94/47/60/744944760.db2.gz CCVJBCMKEQHZOF-BBRMVZONSA-N 1 3 334.464 0.140 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN3CC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000999875558 744982711 /nfs/dbraw/zinc/98/27/11/744982711.db2.gz BJHBZQWMBMEIBA-VNQPRFMTSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN3CC[C@@H](C)C3)C2)CC[N@H+]1C ZINC000999875558 744982715 /nfs/dbraw/zinc/98/27/15/744982715.db2.gz BJHBZQWMBMEIBA-VNQPRFMTSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000999890054 745014638 /nfs/dbraw/zinc/01/46/38/745014638.db2.gz XIXCCFYLSOHNBJ-DZGCQCFKSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000999890054 745014642 /nfs/dbraw/zinc/01/46/42/745014642.db2.gz XIXCCFYLSOHNBJ-DZGCQCFKSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029107589 745099453 /nfs/dbraw/zinc/09/94/53/745099453.db2.gz POZOSQYNFTVSLH-SUMWQHHRSA-N 1 3 348.495 0.872 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001029165846 745192702 /nfs/dbraw/zinc/19/27/02/745192702.db2.gz QQVCLKBFRFMBSS-CQSZACIVSA-N 1 3 346.479 0.628 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(C2(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001000319052 745424333 /nfs/dbraw/zinc/42/43/33/745424333.db2.gz PQCUNHIZLKAKJY-HNNXBMFYSA-N 1 3 348.491 0.707 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001020720169 752028878 /nfs/dbraw/zinc/02/88/78/752028878.db2.gz WPOBKTGVLAYDGE-RZLSGREXSA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001020720169 752028884 /nfs/dbraw/zinc/02/88/84/752028884.db2.gz WPOBKTGVLAYDGE-RZLSGREXSA-N 1 3 332.452 0.569 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H](NCc3ccccn3)C2)cn1 ZINC001020720480 752029577 /nfs/dbraw/zinc/02/95/77/752029577.db2.gz DDYOBLROLUWKOR-QAQDUYKDSA-N 1 3 342.447 0.890 20 0 ECADHO COc1ncc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001000917145 745896152 /nfs/dbraw/zinc/89/61/52/745896152.db2.gz KEARBZTVUJCLFY-GOEBONIOSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001000917145 745896153 /nfs/dbraw/zinc/89/61/53/745896153.db2.gz KEARBZTVUJCLFY-GOEBONIOSA-N 1 3 347.463 0.826 20 0 ECADHO O=C(NCC1=CC[N@H+](CCCF)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001000975485 745945857 /nfs/dbraw/zinc/94/58/57/745945857.db2.gz ILQPRLIMYMTDLH-UPTPFMHGSA-N 1 3 337.439 0.958 20 0 ECADHO O=C(NCC1=CC[N@@H+](CCCF)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001000975485 745945863 /nfs/dbraw/zinc/94/58/63/745945863.db2.gz ILQPRLIMYMTDLH-UPTPFMHGSA-N 1 3 337.439 0.958 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001001007391 745972420 /nfs/dbraw/zinc/97/24/20/745972420.db2.gz JFRUIBNSIGTOMI-CVEARBPZSA-N 1 3 334.468 0.733 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603647 746106138 /nfs/dbraw/zinc/10/61/38/746106138.db2.gz JIJMFVKRWGJDTH-KRWDZBQOSA-N 1 3 348.495 0.933 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CCN(CCc2cnn(C)c2)CC1 ZINC001001153498 746119939 /nfs/dbraw/zinc/11/99/39/746119939.db2.gz VZYPAHDRSPWXMW-CRAIPNDOSA-N 1 3 345.491 0.909 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(CCc2cnn(C)c2)CC1 ZINC001001153498 746119940 /nfs/dbraw/zinc/11/99/40/746119940.db2.gz VZYPAHDRSPWXMW-CRAIPNDOSA-N 1 3 345.491 0.909 20 0 ECADHO O=C(NCC1CCN([C@H]2CCCNC2=O)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001001413099 746353312 /nfs/dbraw/zinc/35/33/12/746353312.db2.gz JIEWTODWVXRXNA-IRXDYDNUSA-N 1 3 348.491 0.435 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCn3cncn3)C2)CC1 ZINC001027628445 746368003 /nfs/dbraw/zinc/36/80/03/746368003.db2.gz BLGFXOJVZBHUCR-KRWDZBQOSA-N 1 3 348.495 0.933 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)CC1 ZINC001027628445 746368007 /nfs/dbraw/zinc/36/80/07/746368007.db2.gz BLGFXOJVZBHUCR-KRWDZBQOSA-N 1 3 348.495 0.933 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000984408988 746409134 /nfs/dbraw/zinc/40/91/34/746409134.db2.gz RUUCVLHCEIHEAL-ZBFHGGJFSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000984408988 746409141 /nfs/dbraw/zinc/40/91/41/746409141.db2.gz RUUCVLHCEIHEAL-ZBFHGGJFSA-N 1 3 347.463 0.743 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)n1 ZINC000984801072 746956753 /nfs/dbraw/zinc/95/67/53/746956753.db2.gz XVGHEKDQTRHUCR-DZKIICNBSA-N 1 3 347.463 0.954 20 0 ECADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cn1 ZINC000984807666 746964225 /nfs/dbraw/zinc/96/42/25/746964225.db2.gz JBOHXSODWMQNHT-MMTVNHQJSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000984807666 746964228 /nfs/dbraw/zinc/96/42/28/746964228.db2.gz JBOHXSODWMQNHT-MMTVNHQJSA-N 1 3 331.464 0.967 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccn(C)c(=O)c1 ZINC001088577662 752155209 /nfs/dbraw/zinc/15/52/09/752155209.db2.gz HZVKAHIUAUDNRG-SRABZTEZSA-N 1 3 346.475 0.805 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccn(C)c(=O)c1 ZINC001088577662 752155211 /nfs/dbraw/zinc/15/52/11/752155211.db2.gz HZVKAHIUAUDNRG-SRABZTEZSA-N 1 3 346.475 0.805 20 0 ECADHO O=C(N[C@H]1C[C@H](CNCc2cc3n(n2)CCC3)C1)C12CC[NH+](CC1)C2 ZINC000985041118 747295672 /nfs/dbraw/zinc/29/56/72/747295672.db2.gz VOZRNINFJOAOER-SHTZXODSSA-N 1 3 343.475 0.910 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)C1 ZINC001088106821 747398952 /nfs/dbraw/zinc/39/89/52/747398952.db2.gz SJLVOBFFTARHOP-VKJFTORMSA-N 1 3 341.471 0.972 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)C1 ZINC001088106821 747398957 /nfs/dbraw/zinc/39/89/57/747398957.db2.gz SJLVOBFFTARHOP-VKJFTORMSA-N 1 3 341.471 0.972 20 0 ECADHO CN1CCC[C@H](N2[C@@H]3CC[C@H]2CN(C(=O)C[C@H]2CC[N@H+](C)C2)C3)C1=O ZINC001029552984 747452648 /nfs/dbraw/zinc/45/26/48/747452648.db2.gz HNIXYLMXGMHBTB-NCOADZHNSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCC[C@H](N2[C@@H]3CC[C@H]2CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C3)C1=O ZINC001029552984 747452651 /nfs/dbraw/zinc/45/26/51/747452651.db2.gz HNIXYLMXGMHBTB-NCOADZHNSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCN2CCNC2=O)CC1 ZINC000985331141 747726157 /nfs/dbraw/zinc/72/61/57/747726157.db2.gz CVKNSFFCJWGBRJ-HNNXBMFYSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCN2CCNC2=O)CC1 ZINC000985331141 747726162 /nfs/dbraw/zinc/72/61/62/747726162.db2.gz CVKNSFFCJWGBRJ-HNNXBMFYSA-N 1 3 337.468 0.029 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001002795596 747798181 /nfs/dbraw/zinc/79/81/81/747798181.db2.gz LVIKAYFXRPKDRP-FPCVCCKLSA-N 1 3 334.464 0.282 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001002795596 747798186 /nfs/dbraw/zinc/79/81/86/747798186.db2.gz LVIKAYFXRPKDRP-FPCVCCKLSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H](NCc1ccccn1)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979443063 747849426 /nfs/dbraw/zinc/84/94/26/747849426.db2.gz GYUXZWZRHOSSHG-WBVHZDCISA-N 1 3 344.459 0.883 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001002888122 747922787 /nfs/dbraw/zinc/92/27/87/747922787.db2.gz NELFOODIULDMSI-IRXDYDNUSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001002888122 747922791 /nfs/dbraw/zinc/92/27/91/747922791.db2.gz NELFOODIULDMSI-IRXDYDNUSA-N 1 3 348.491 0.674 20 0 ECADHO CN1CC[C@@H](N2CCC(NC(=O)c3ccn4c[nH+]cc4c3)CC2)C1=O ZINC001003250943 748344918 /nfs/dbraw/zinc/34/49/18/748344918.db2.gz OXKUODDOMZAEHN-MRXNPFEDSA-N 1 3 341.415 0.759 20 0 ECADHO CN(CC(=O)N1CCCCC[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001088327070 748735965 /nfs/dbraw/zinc/73/59/65/748735965.db2.gz FNBXSERXEMHRIN-GOEBONIOSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001003635374 748748089 /nfs/dbraw/zinc/74/80/89/748748089.db2.gz PFBLJWUAFIYXMX-PBHICJAKSA-N 1 3 333.480 0.741 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001003635374 748748091 /nfs/dbraw/zinc/74/80/91/748748091.db2.gz PFBLJWUAFIYXMX-PBHICJAKSA-N 1 3 333.480 0.741 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1)[NH+](C)C ZINC000985629717 748763431 /nfs/dbraw/zinc/76/34/31/748763431.db2.gz AGRUHXOSVDWJMB-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO C[N@H+](C[C@H]1CCc2ncnn21)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675507 748851285 /nfs/dbraw/zinc/85/12/85/748851285.db2.gz VUIXBJBGYYZKJL-OAHLLOKOSA-N 1 3 343.435 0.654 20 0 ECADHO C[N@@H+](C[C@H]1CCc2ncnn21)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675507 748851290 /nfs/dbraw/zinc/85/12/90/748851290.db2.gz VUIXBJBGYYZKJL-OAHLLOKOSA-N 1 3 343.435 0.654 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001088390658 749014436 /nfs/dbraw/zinc/01/44/36/749014436.db2.gz RYRNICUDGOIGSO-CQSZACIVSA-N 1 3 348.451 0.338 20 0 ECADHO Cn1cc(CCN2CCC[C@H]2CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001027885936 749105749 /nfs/dbraw/zinc/10/57/49/749105749.db2.gz LFPYCVXPPTTXID-ROUUACIJSA-N 1 3 345.491 0.885 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)C1=O ZINC001051348744 761927705 /nfs/dbraw/zinc/92/77/05/761927705.db2.gz WWVRWFNANJRORM-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001004357602 749422291 /nfs/dbraw/zinc/42/22/91/749422291.db2.gz BZVLZHFKSXKDNY-HZMVEIRTSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001004357602 749422297 /nfs/dbraw/zinc/42/22/97/749422297.db2.gz BZVLZHFKSXKDNY-HZMVEIRTSA-N 1 3 348.491 0.672 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000980550731 749738720 /nfs/dbraw/zinc/73/87/20/749738720.db2.gz UFLOWOCPVVBQSY-NMFUWQPSSA-N 1 3 347.463 0.469 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000980550731 749738725 /nfs/dbraw/zinc/73/87/25/749738725.db2.gz UFLOWOCPVVBQSY-NMFUWQPSSA-N 1 3 347.463 0.469 20 0 ECADHO Cc1nnc(CNC[C@H]2C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000980691509 749977842 /nfs/dbraw/zinc/97/78/42/749977842.db2.gz DXCWDWMIJTVJFC-TZMCWYRMSA-N 1 3 334.468 0.782 20 0 ECADHO C[C@@H]1C[C@@H](C[NH2+]Cc2cnnn2C)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980699897 749982203 /nfs/dbraw/zinc/98/22/03/749982203.db2.gz GRKNTMAWPJTKOH-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[C@H](CNCc2nccn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766629 750118850 /nfs/dbraw/zinc/11/88/50/750118850.db2.gz FDCVEZFVKOUVCI-LSDHHAIUSA-N 1 3 331.464 0.843 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1)C1CC1 ZINC001029971244 750155773 /nfs/dbraw/zinc/15/57/73/750155773.db2.gz SPHHXPQCBZHPHJ-JKSUJKDBSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1)C1CC1 ZINC001029971244 750155777 /nfs/dbraw/zinc/15/57/77/750155777.db2.gz SPHHXPQCBZHPHJ-JKSUJKDBSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](NCC(=O)N2CCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986811021 750378487 /nfs/dbraw/zinc/37/84/87/750378487.db2.gz MVMMPJHFZBBZME-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987275051 750684143 /nfs/dbraw/zinc/68/41/43/750684143.db2.gz BKYVXJHANBPSBX-RHSMWYFYSA-N 1 3 349.479 0.610 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000981646628 750930054 /nfs/dbraw/zinc/93/00/54/750930054.db2.gz PHQKHMMHNUSTQW-WPZCVXBKSA-N 1 3 349.475 0.420 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000981646628 750930056 /nfs/dbraw/zinc/93/00/56/750930056.db2.gz PHQKHMMHNUSTQW-WPZCVXBKSA-N 1 3 349.475 0.420 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CCN(CCn2cncn2)CC1 ZINC001006291633 751207437 /nfs/dbraw/zinc/20/74/37/751207437.db2.gz CVNHFPBXYAMJOS-OAHLLOKOSA-N 1 3 334.468 0.543 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCN(CCn2cncn2)CC1 ZINC001006291633 751207441 /nfs/dbraw/zinc/20/74/41/751207441.db2.gz CVNHFPBXYAMJOS-OAHLLOKOSA-N 1 3 334.468 0.543 20 0 ECADHO CC[C@H](C(=O)N1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001006342905 751267205 /nfs/dbraw/zinc/26/72/05/751267205.db2.gz HVVIJXVBIZSPCE-CZUORRHYSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001021088072 752528162 /nfs/dbraw/zinc/52/81/62/752528162.db2.gz LKXVGXKWUUZCGS-ZHZCFWQKSA-N 1 3 346.475 0.995 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000938039443 752736913 /nfs/dbraw/zinc/73/69/13/752736913.db2.gz NGNZPFOIDCUCRO-QXSJWSMHSA-N 1 3 338.496 0.630 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000938039443 752736916 /nfs/dbraw/zinc/73/69/16/752736916.db2.gz NGNZPFOIDCUCRO-QXSJWSMHSA-N 1 3 338.496 0.630 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)CC1 ZINC001008287447 753550863 /nfs/dbraw/zinc/55/08/63/753550863.db2.gz CKMQNZKMDYWYSP-HNNXBMFYSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449316 753944837 /nfs/dbraw/zinc/94/48/37/753944837.db2.gz GOOSIVXXDWDYGK-HUUCEWRRSA-N 1 3 334.468 0.589 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001075942797 753952176 /nfs/dbraw/zinc/95/21/76/753952176.db2.gz RPWZZPMEPOTEFU-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO COC[C@@H](C)N1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008827173 754166593 /nfs/dbraw/zinc/16/65/93/754166593.db2.gz JKMWSMWTYUVCMS-ZBFHGGJFSA-N 1 3 337.468 0.674 20 0 ECADHO CCN1CC[C@H](N2CC[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028657242 754328669 /nfs/dbraw/zinc/32/86/69/754328669.db2.gz XPWCFQAWKYDGQW-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO COC[C@H](C)N1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983048258 754505081 /nfs/dbraw/zinc/50/50/81/754505081.db2.gz YBKZPRPSAJWRFX-HNNXBMFYSA-N 1 3 327.469 0.666 20 0 ECADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001168335678 754646902 /nfs/dbraw/zinc/64/69/02/754646902.db2.gz PGZGVRUGVXZPLS-OAHLLOKOSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000990279549 754936086 /nfs/dbraw/zinc/93/60/86/754936086.db2.gz WXTLMZJHOOUBAU-HZPDHXFCSA-N 1 3 336.480 0.671 20 0 ECADHO NC(=O)c1ccc(CN2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001009532115 754982599 /nfs/dbraw/zinc/98/25/99/754982599.db2.gz WGMYNRUYWWNJEB-QGZVFWFLSA-N 1 3 344.459 0.962 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)n1 ZINC000983322709 755208570 /nfs/dbraw/zinc/20/85/70/755208570.db2.gz MJLAKKGMZUAVHU-UMVBOHGHSA-N 1 3 333.436 0.564 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001076241233 756252351 /nfs/dbraw/zinc/25/23/51/756252351.db2.gz HZHLXUQBQPRETR-IXDOHACOSA-N 1 3 331.464 0.900 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001076241233 756252354 /nfs/dbraw/zinc/25/23/54/756252354.db2.gz HZHLXUQBQPRETR-IXDOHACOSA-N 1 3 331.464 0.900 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001010661814 756364562 /nfs/dbraw/zinc/36/45/62/756364562.db2.gz HOICDGXJUAQRNV-CQSZACIVSA-N 1 3 345.447 0.355 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001010661814 756364566 /nfs/dbraw/zinc/36/45/66/756364566.db2.gz HOICDGXJUAQRNV-CQSZACIVSA-N 1 3 345.447 0.355 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCc3ccnn3C)C2)CC[N@@H+]1C ZINC001051623320 762498796 /nfs/dbraw/zinc/49/87/96/762498796.db2.gz FAYGJDPXOOTKKB-IXDOHACOSA-N 1 3 349.479 0.467 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCc3ccnn3C)C2)CC[N@H+]1C ZINC001051623320 762498802 /nfs/dbraw/zinc/49/88/02/762498802.db2.gz FAYGJDPXOOTKKB-IXDOHACOSA-N 1 3 349.479 0.467 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCc3cncn3C)C2)CC[N@@H+]1C ZINC001051624998 762503514 /nfs/dbraw/zinc/50/35/14/762503514.db2.gz WWPCSYCIAZUKLC-YESZJQIVSA-N 1 3 349.479 0.467 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCc3cncn3C)C2)CC[N@H+]1C ZINC001051624998 762503518 /nfs/dbraw/zinc/50/35/18/762503518.db2.gz WWPCSYCIAZUKLC-YESZJQIVSA-N 1 3 349.479 0.467 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001011138068 757007485 /nfs/dbraw/zinc/00/74/85/757007485.db2.gz DYXDYIOLDBDUAO-ZBFHGGJFSA-N 1 3 345.447 0.497 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001011138068 757007496 /nfs/dbraw/zinc/00/74/96/757007496.db2.gz DYXDYIOLDBDUAO-ZBFHGGJFSA-N 1 3 345.447 0.497 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001011162964 757082542 /nfs/dbraw/zinc/08/25/42/757082542.db2.gz YEAZYYQORVUUCS-IAGOWNOFSA-N 1 3 348.491 0.770 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001011162964 757082553 /nfs/dbraw/zinc/08/25/53/757082553.db2.gz YEAZYYQORVUUCS-IAGOWNOFSA-N 1 3 348.491 0.770 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC001011208937 757192425 /nfs/dbraw/zinc/19/24/25/757192425.db2.gz VUGGZOJGJUNVNX-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC[N@H+]1C ZINC001011208937 757192429 /nfs/dbraw/zinc/19/24/29/757192429.db2.gz VUGGZOJGJUNVNX-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864638 757222018 /nfs/dbraw/zinc/22/20/18/757222018.db2.gz LTINEWZCHGHMOC-SOUVJXGZSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864638 757222021 /nfs/dbraw/zinc/22/20/21/757222021.db2.gz LTINEWZCHGHMOC-SOUVJXGZSA-N 1 3 336.480 0.338 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C1)C1CCC1 ZINC001048864939 757223360 /nfs/dbraw/zinc/22/33/60/757223360.db2.gz RAMBUHRHXVXFRJ-IYBDPMFKSA-N 1 3 348.491 0.483 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2C1)C1CCC1 ZINC001048864939 757223361 /nfs/dbraw/zinc/22/33/61/757223361.db2.gz RAMBUHRHXVXFRJ-IYBDPMFKSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996302067 757311824 /nfs/dbraw/zinc/31/18/24/757311824.db2.gz VYVNTXWJWPCRMI-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001011406590 757643735 /nfs/dbraw/zinc/64/37/35/757643735.db2.gz WAMQINAXQQBDTI-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001011406590 757643741 /nfs/dbraw/zinc/64/37/41/757643741.db2.gz WAMQINAXQQBDTI-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@H](C1CC1)[NH+](C)C)N(C)C ZINC001076957845 757749990 /nfs/dbraw/zinc/74/99/90/757749990.db2.gz NPNTZAKVQVCWRH-QEJZJMRPSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001076971130 757781654 /nfs/dbraw/zinc/78/16/54/757781654.db2.gz QPLWOUWRZCEDRL-ZOBUZTSGSA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001076971130 757781662 /nfs/dbraw/zinc/78/16/62/757781662.db2.gz QPLWOUWRZCEDRL-ZOBUZTSGSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001049057211 757803154 /nfs/dbraw/zinc/80/31/54/757803154.db2.gz MVIBGJREEKQDQG-FPCVCCKLSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001049057211 757803167 /nfs/dbraw/zinc/80/31/67/757803167.db2.gz MVIBGJREEKQDQG-FPCVCCKLSA-N 1 3 348.491 0.528 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001049083806 757916315 /nfs/dbraw/zinc/91/63/15/757916315.db2.gz UAGFEWLTFNDPSL-SOUVJXGZSA-N 1 3 345.447 0.259 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001049083806 757916325 /nfs/dbraw/zinc/91/63/25/757916325.db2.gz UAGFEWLTFNDPSL-SOUVJXGZSA-N 1 3 345.447 0.259 20 0 ECADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015127 757927211 /nfs/dbraw/zinc/92/72/11/757927211.db2.gz CQEOMIUXLLNAQI-VQHPVUNQSA-N 1 3 339.480 0.303 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049131014 758067919 /nfs/dbraw/zinc/06/79/19/758067919.db2.gz CXUGJDYEHAFPEQ-XHSDSOJGSA-N 1 3 336.480 0.372 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049131014 758067930 /nfs/dbraw/zinc/06/79/30/758067930.db2.gz CXUGJDYEHAFPEQ-XHSDSOJGSA-N 1 3 336.480 0.372 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001051654705 762603826 /nfs/dbraw/zinc/60/38/26/762603826.db2.gz RLDOYWNEXOPXQA-KRWDZBQOSA-N 1 3 349.479 0.530 20 0 ECADHO Cn1cc(CN2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)cn1 ZINC001049173005 758214696 /nfs/dbraw/zinc/21/46/96/758214696.db2.gz DHLNKVCESYMRBQ-IYBDPMFKSA-N 1 3 329.448 0.406 20 0 ECADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N1CCCCC1 ZINC001022076966 758240569 /nfs/dbraw/zinc/24/05/69/758240569.db2.gz GWDOUJQPBTZAAU-ZNMIVQPWSA-N 1 3 336.480 0.766 20 0 ECADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)ncn1 ZINC001022120986 758305530 /nfs/dbraw/zinc/30/55/30/758305530.db2.gz VCLMTLWKJTXRII-YALNPMBYSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)ncn1 ZINC001022120986 758305541 /nfs/dbraw/zinc/30/55/41/758305541.db2.gz VCLMTLWKJTXRII-YALNPMBYSA-N 1 3 345.447 0.385 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049232743 758395475 /nfs/dbraw/zinc/39/54/75/758395475.db2.gz DDSCPTBJXWFENA-XUWVNRHRSA-N 1 3 334.464 0.140 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049232743 758395482 /nfs/dbraw/zinc/39/54/82/758395482.db2.gz DDSCPTBJXWFENA-XUWVNRHRSA-N 1 3 334.464 0.140 20 0 ECADHO CCN(CC)CC(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060320472 762631981 /nfs/dbraw/zinc/63/19/81/762631981.db2.gz SZYSRQFQIJMEFA-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN1CCCC1 ZINC001011769972 758531677 /nfs/dbraw/zinc/53/16/77/758531677.db2.gz AZZXMBBZHIMUMI-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1)N(C)C ZINC000996710960 758557594 /nfs/dbraw/zinc/55/75/94/758557594.db2.gz HSZUMTLQEPJICO-LSDHHAIUSA-N 1 3 334.468 0.686 20 0 ECADHO Cc1nsc(C)c1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780429 758659062 /nfs/dbraw/zinc/65/90/62/758659062.db2.gz YVEAACLLNRVZPB-UKRRQHHQSA-N 1 3 338.477 0.829 20 0 ECADHO Cc1nsc(C)c1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780429 758659071 /nfs/dbraw/zinc/65/90/71/758659071.db2.gz YVEAACLLNRVZPB-UKRRQHHQSA-N 1 3 338.477 0.829 20 0 ECADHO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)C12CCCN1CCC2 ZINC001077299539 758742251 /nfs/dbraw/zinc/74/22/51/758742251.db2.gz GHXLCSBZTYHXFK-HZPDHXFCSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)C12CCCN1CCC2 ZINC001077299539 758742257 /nfs/dbraw/zinc/74/22/57/758742257.db2.gz GHXLCSBZTYHXFK-HZPDHXFCSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(N[C@@H]1CN(CC2CCOCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299539 758742259 /nfs/dbraw/zinc/74/22/59/758742259.db2.gz GHXLCSBZTYHXFK-HZPDHXFCSA-N 1 3 337.464 0.203 20 0 ECADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785614 758770347 /nfs/dbraw/zinc/77/03/47/758770347.db2.gz OURJEMUPEOIKDP-IAGOWNOFSA-N 1 3 349.479 0.841 20 0 ECADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785614 758770355 /nfs/dbraw/zinc/77/03/55/758770355.db2.gz OURJEMUPEOIKDP-IAGOWNOFSA-N 1 3 349.479 0.841 20 0 ECADHO COCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049609723 758990011 /nfs/dbraw/zinc/99/00/11/758990011.db2.gz HWGBLODZFZMUDH-RWBIUQBRSA-N 1 3 349.475 0.561 20 0 ECADHO COCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049609723 758990017 /nfs/dbraw/zinc/99/00/17/758990017.db2.gz HWGBLODZFZMUDH-RWBIUQBRSA-N 1 3 349.475 0.561 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001022712974 759027861 /nfs/dbraw/zinc/02/78/61/759027861.db2.gz FICRVZCORAPOKQ-LVQVYYBASA-N 1 3 336.480 0.574 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]3[C@@H]2CCN3CCn2cncn2)C1 ZINC001049841350 759283090 /nfs/dbraw/zinc/28/30/90/759283090.db2.gz RTQKORAIGUGCDA-IKGGRYGDSA-N 1 3 346.479 0.685 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]3[C@@H]2CCN3CCn2cncn2)C1 ZINC001049841350 759283098 /nfs/dbraw/zinc/28/30/98/759283098.db2.gz RTQKORAIGUGCDA-IKGGRYGDSA-N 1 3 346.479 0.685 20 0 ECADHO CCn1nncc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058820 759899135 /nfs/dbraw/zinc/89/91/35/759899135.db2.gz KEDKPXPXKILBGB-LSDHHAIUSA-N 1 3 334.468 0.720 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC001050202168 759929862 /nfs/dbraw/zinc/92/98/62/759929862.db2.gz MJLIERLDGWWONH-GVDBMIGSSA-N 1 3 348.491 0.483 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC001050202168 759929867 /nfs/dbraw/zinc/92/98/67/759929867.db2.gz MJLIERLDGWWONH-GVDBMIGSSA-N 1 3 348.491 0.483 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001054296287 767904339 /nfs/dbraw/zinc/90/43/39/767904339.db2.gz MLGLXJQFXZGYNP-INMHGKMJSA-N 1 3 348.495 0.932 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001050390267 760220000 /nfs/dbraw/zinc/22/00/00/760220000.db2.gz NFUAJCCCKXSMLK-RBSFLKMASA-N 1 3 334.468 0.531 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001050390267 760220016 /nfs/dbraw/zinc/22/00/16/760220016.db2.gz NFUAJCCCKXSMLK-RBSFLKMASA-N 1 3 334.468 0.531 20 0 ECADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H](O)C(C)(C)O)CC2)CC1 ZINC000911191083 760231818 /nfs/dbraw/zinc/23/18/18/760231818.db2.gz YHQXKYGINQDJLX-OAHLLOKOSA-N 1 3 327.469 0.137 20 0 ECADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@@H](O)C(C)(C)O)CC2)CC1 ZINC000911191083 760231823 /nfs/dbraw/zinc/23/18/23/760231823.db2.gz YHQXKYGINQDJLX-OAHLLOKOSA-N 1 3 327.469 0.137 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CNCc1nncn1C ZINC001048302705 760260427 /nfs/dbraw/zinc/26/04/27/760260427.db2.gz FIRGAGJHMWURRE-GJZGRUSLSA-N 1 3 346.479 0.628 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001050462522 760305844 /nfs/dbraw/zinc/30/58/44/760305844.db2.gz UOVYQTPZBZUTTH-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO Cc1nnc(CNC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)[nH]1 ZINC001048371297 760392201 /nfs/dbraw/zinc/39/22/01/760392201.db2.gz XFFZEYSLTZMRKH-DOMZBBRYSA-N 1 3 334.468 0.639 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001048392945 760430417 /nfs/dbraw/zinc/43/04/17/760430417.db2.gz NDPDQUWURVCWQX-DZGCQCFKSA-N 1 3 343.431 0.535 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001048397315 760437680 /nfs/dbraw/zinc/43/76/80/760437680.db2.gz KGGWWBLPBLMOTM-GXTWGEPZSA-N 1 3 330.436 0.878 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNCc1nncn1C ZINC001048437509 760527055 /nfs/dbraw/zinc/52/70/55/760527055.db2.gz CSWHXZCAMJGGOS-KGLIPLIRSA-N 1 3 332.452 0.095 20 0 ECADHO C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598343 760550839 /nfs/dbraw/zinc/55/08/39/760550839.db2.gz CDCWCZYDOVCWFQ-UYFTZEKXSA-N 1 3 349.475 0.155 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CN(C(=O)CN3CCCC3)C[C@H]2C)n1 ZINC001048476291 760588286 /nfs/dbraw/zinc/58/82/86/760588286.db2.gz RHBJRNYAPKXNKK-CABCVRRESA-N 1 3 347.463 0.765 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050663106 760637911 /nfs/dbraw/zinc/63/79/11/760637911.db2.gz QRLPXIHXFUXPJC-HUUCEWRRSA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050663106 760637918 /nfs/dbraw/zinc/63/79/18/760637918.db2.gz QRLPXIHXFUXPJC-HUUCEWRRSA-N 1 3 336.480 0.517 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](NCCF)C(C)(C)C2)n1 ZINC000995812344 760638546 /nfs/dbraw/zinc/63/85/46/760638546.db2.gz LJWFHCLHDCUGNZ-CQSZACIVSA-N 1 3 325.432 0.854 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN(CC(=O)N(C)C)CC2 ZINC001050663391 760639960 /nfs/dbraw/zinc/63/99/60/760639960.db2.gz SOTQBNVGBIVARN-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(CC(=O)N(C)C)CC2 ZINC001050663391 760639970 /nfs/dbraw/zinc/63/99/70/760639970.db2.gz SOTQBNVGBIVARN-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)CN(C)C1CCC1 ZINC001012920420 760816113 /nfs/dbraw/zinc/81/61/13/760816113.db2.gz AWQSMXVAKGXGLS-HUUCEWRRSA-N 1 3 348.491 0.672 20 0 ECADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082256 761019671 /nfs/dbraw/zinc/01/96/71/761019671.db2.gz NRQFXJSBCNWMFD-GJZGRUSLSA-N 1 3 326.485 0.822 20 0 ECADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082256 761019681 /nfs/dbraw/zinc/01/96/81/761019681.db2.gz NRQFXJSBCNWMFD-GJZGRUSLSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082778 761027550 /nfs/dbraw/zinc/02/75/50/761027550.db2.gz YONWZDQFAVKFSS-GJZGRUSLSA-N 1 3 326.485 0.820 20 0 ECADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082778 761027558 /nfs/dbraw/zinc/02/75/58/761027558.db2.gz YONWZDQFAVKFSS-GJZGRUSLSA-N 1 3 326.485 0.820 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282069 768065654 /nfs/dbraw/zinc/06/56/54/768065654.db2.gz RQMQBCPFWNJGRW-INMHGKMJSA-N 1 3 340.512 0.735 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001051700284 762729201 /nfs/dbraw/zinc/72/92/01/762729201.db2.gz WZPNPUYODPGBNY-MRXNPFEDSA-N 1 3 347.463 0.366 20 0 ECADHO CC(C)[C@H](C(=O)N1CCO[C@H](CNCc2cncn2C)C1)[NH+](C)C ZINC001051808086 763016369 /nfs/dbraw/zinc/01/63/69/763016369.db2.gz ZSKFNOJPYVQADO-HZPDHXFCSA-N 1 3 337.468 0.323 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](CNCc3cccnc3)C2)C1 ZINC001051901850 763275436 /nfs/dbraw/zinc/27/54/36/763275436.db2.gz POYPFKIFQHJWLH-RDJZCZTQSA-N 1 3 332.448 0.740 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](CNCc3cccnc3)C2)C1 ZINC001051901850 763275441 /nfs/dbraw/zinc/27/54/41/763275441.db2.gz POYPFKIFQHJWLH-RDJZCZTQSA-N 1 3 332.448 0.740 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNCc3cncs3)C2)C1 ZINC001051903076 763282929 /nfs/dbraw/zinc/28/29/29/763282929.db2.gz OSNSQOPTYMUDRG-ZIAGYGMSSA-N 1 3 338.477 0.802 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNCc3cncs3)C2)C1 ZINC001051903076 763282931 /nfs/dbraw/zinc/28/29/31/763282931.db2.gz OSNSQOPTYMUDRG-ZIAGYGMSSA-N 1 3 338.477 0.802 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)CC[N@@H+]1C ZINC001127701726 763599734 /nfs/dbraw/zinc/59/97/34/763599734.db2.gz XJSJGJBANOJRGB-ARFHVFGLSA-N 1 3 336.480 0.576 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)CC[N@H+]1C ZINC001127701726 763599740 /nfs/dbraw/zinc/59/97/40/763599740.db2.gz XJSJGJBANOJRGB-ARFHVFGLSA-N 1 3 336.480 0.576 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](N3CCN(CCC4CC4)CC3)C2)C1 ZINC001052117703 763930650 /nfs/dbraw/zinc/93/06/50/763930650.db2.gz XOOXIDYNLRUYTC-MSOLQXFVSA-N 1 3 334.508 0.957 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](N3CCN(CCC4CC4)CC3)C2)C1 ZINC001052117703 763930655 /nfs/dbraw/zinc/93/06/55/763930655.db2.gz XOOXIDYNLRUYTC-MSOLQXFVSA-N 1 3 334.508 0.957 20 0 ECADHO CCCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384248 764179125 /nfs/dbraw/zinc/17/91/25/764179125.db2.gz OJNXMLVTTLHBTL-HOTGVXAUSA-N 1 3 337.468 0.362 20 0 ECADHO CN1CC[C@@H](N2CCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)CC2)C1=O ZINC001052527587 764696430 /nfs/dbraw/zinc/69/64/30/764696430.db2.gz FNZNDVVLEBIVIF-HZPDHXFCSA-N 1 3 348.491 0.816 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(CC2CC(F)(F)C2)C[C@@H]1O ZINC001047629300 764933508 /nfs/dbraw/zinc/93/35/08/764933508.db2.gz XDDSVQXUZFJEDX-RDBSUJKOSA-N 1 3 331.407 0.487 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CC2CC(F)(F)C2)C[C@@H]1O ZINC001047629300 764933515 /nfs/dbraw/zinc/93/35/15/764933515.db2.gz XDDSVQXUZFJEDX-RDBSUJKOSA-N 1 3 331.407 0.487 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CCC1 ZINC000992011168 765149374 /nfs/dbraw/zinc/14/93/74/765149374.db2.gz QLORCZJPUWUOLB-CVEARBPZSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CCC1 ZINC000992011168 765149379 /nfs/dbraw/zinc/14/93/79/765149379.db2.gz QLORCZJPUWUOLB-CVEARBPZSA-N 1 3 348.491 0.815 20 0 ECADHO Cn1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001015998033 765692601 /nfs/dbraw/zinc/69/26/01/765692601.db2.gz LFUBRBYPALIFTP-GDBMZVCRSA-N 1 3 332.448 0.418 20 0 ECADHO Cn1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001015998033 765692607 /nfs/dbraw/zinc/69/26/07/765692607.db2.gz LFUBRBYPALIFTP-GDBMZVCRSA-N 1 3 332.448 0.418 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001053350014 766013185 /nfs/dbraw/zinc/01/31/85/766013185.db2.gz JDIXPYQDHDQVIS-GXTWGEPZSA-N 1 3 335.452 0.423 20 0 ECADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN1CC[C@H](C)C1 ZINC001077508959 766060283 /nfs/dbraw/zinc/06/02/83/766060283.db2.gz XTCXBYIWDOHJRX-GJZGRUSLSA-N 1 3 336.480 0.435 20 0 ECADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001053437559 766133596 /nfs/dbraw/zinc/13/35/96/766133596.db2.gz QUMMDMUOIFMARJ-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001053437559 766133598 /nfs/dbraw/zinc/13/35/98/766133598.db2.gz QUMMDMUOIFMARJ-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC001016532483 766451485 /nfs/dbraw/zinc/45/14/85/766451485.db2.gz LRKVJVZNHQKGDN-PRLABOORSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC001016532483 766451490 /nfs/dbraw/zinc/45/14/90/766451490.db2.gz LRKVJVZNHQKGDN-PRLABOORSA-N 1 3 336.480 0.528 20 0 ECADHO NC(=O)c1ccc(CNCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC001127254171 766509736 /nfs/dbraw/zinc/50/97/36/766509736.db2.gz CLOJOTNYAKYTPZ-IAGOWNOFSA-N 1 3 344.459 0.866 20 0 ECADHO NC(=O)c1ccc(CNCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC001127254171 766509742 /nfs/dbraw/zinc/50/97/42/766509742.db2.gz CLOJOTNYAKYTPZ-IAGOWNOFSA-N 1 3 344.459 0.866 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCCF)C2)CC1 ZINC001046009935 766631532 /nfs/dbraw/zinc/63/15/32/766631532.db2.gz GHXNRRKLQQVROH-HOTGVXAUSA-N 1 3 326.460 0.659 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001046009935 766631538 /nfs/dbraw/zinc/63/15/38/766631538.db2.gz GHXNRRKLQQVROH-HOTGVXAUSA-N 1 3 326.460 0.659 20 0 ECADHO COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035187 766719558 /nfs/dbraw/zinc/71/95/58/766719558.db2.gz GIIKTUFEJUCWKI-QGZVFWFLSA-N 1 3 338.496 0.336 20 0 ECADHO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035187 766719561 /nfs/dbraw/zinc/71/95/61/766719561.db2.gz GIIKTUFEJUCWKI-QGZVFWFLSA-N 1 3 338.496 0.336 20 0 ECADHO CO[C@H](C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046065911 766851687 /nfs/dbraw/zinc/85/16/87/766851687.db2.gz GGRDPHKEERAQAV-ZBFHGGJFSA-N 1 3 335.452 0.206 20 0 ECADHO CO[C@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046065911 766851693 /nfs/dbraw/zinc/85/16/93/766851693.db2.gz GGRDPHKEERAQAV-ZBFHGGJFSA-N 1 3 335.452 0.206 20 0 ECADHO COC[C@@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067463 766859297 /nfs/dbraw/zinc/85/92/97/766859297.db2.gz ZZOGMCFUOVOZEE-ZBFHGGJFSA-N 1 3 335.452 0.206 20 0 ECADHO COC[C@@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067463 766859307 /nfs/dbraw/zinc/85/93/07/766859307.db2.gz ZZOGMCFUOVOZEE-ZBFHGGJFSA-N 1 3 335.452 0.206 20 0 ECADHO COC[C@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081701 766920098 /nfs/dbraw/zinc/92/00/98/766920098.db2.gz JGMVWQDIZPNFGV-IRXDYDNUSA-N 1 3 338.496 0.336 20 0 ECADHO COC[C@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081701 766920100 /nfs/dbraw/zinc/92/01/00/766920100.db2.gz JGMVWQDIZPNFGV-IRXDYDNUSA-N 1 3 338.496 0.336 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106907797 767104442 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ECADHO CC(C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070208911 783660284 /nfs/dbraw/zinc/66/02/84/783660284.db2.gz DODYLPTWEXDRHS-CABCVRRESA-N 1 3 334.468 0.760 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001070217887 783678945 /nfs/dbraw/zinc/67/89/45/783678945.db2.gz XCWDLBQNVISECO-OAGGEKHMSA-N 1 3 334.468 0.760 20 0 ECADHO CCCN(C)CC(=O)NCC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001070239059 783721753 /nfs/dbraw/zinc/72/17/53/783721753.db2.gz SOPRQPHMBGJTQZ-UHFFFAOYSA-N 1 3 342.484 0.062 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001071016407 784426536 /nfs/dbraw/zinc/42/65/36/784426536.db2.gz MJJBPFFRXRLMIC-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001071018729 784433856 /nfs/dbraw/zinc/43/38/56/784433856.db2.gz GBTBAPRUKGWOLA-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCCF)CC2)C1 ZINC001071103883 784541248 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ECADHO Cc1noc(CCC[N@H+]2CCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)n1 ZINC001072553774 786360456 /nfs/dbraw/zinc/36/04/56/786360456.db2.gz KDWLZLBUQQKAPY-HNNXBMFYSA-N 1 3 347.463 0.939 20 0 ECADHO Cc1noc(CCC[N@@H+]2CCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)n1 ZINC001072553774 786360459 /nfs/dbraw/zinc/36/04/59/786360459.db2.gz KDWLZLBUQQKAPY-HNNXBMFYSA-N 1 3 347.463 0.939 20 0 ECADHO C[C@H](O)CN1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677596 786949135 /nfs/dbraw/zinc/94/91/35/786949135.db2.gz LTRXPVZASLVUNS-GJZGRUSLSA-N 1 3 325.453 0.203 20 0 ECADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073712476 787025423 /nfs/dbraw/zinc/02/54/23/787025423.db2.gz COFSERHONIYXMY-QGZVFWFLSA-N 1 3 349.475 0.604 20 0 ECADHO CO[C@H](C)CN1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073756217 787136675 /nfs/dbraw/zinc/13/66/75/787136675.db2.gz WOFBPRBUQAJRDU-ZBFHGGJFSA-N 1 3 327.469 0.570 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN(CCO)CCCO2)CC1 ZINC001073841982 787329695 /nfs/dbraw/zinc/32/96/95/787329695.db2.gz YKLQFQSYBHCFEX-MRXNPFEDSA-N 1 3 327.469 0.306 20 0 ECADHO CO[C@@H](C)CN1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861473 787385856 /nfs/dbraw/zinc/38/58/56/787385856.db2.gz CVLAZFKMPCMJJV-GJZGRUSLSA-N 1 3 325.453 0.324 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)CCN1C(=O)CN(C)C1CCC1 ZINC001074687723 787599072 /nfs/dbraw/zinc/59/90/72/787599072.db2.gz BOXYWSRKBPOKCN-BPUTZDHNSA-N 1 3 346.479 0.829 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001074769498 787790319 /nfs/dbraw/zinc/79/03/19/787790319.db2.gz FQYMHEFKFGDRNB-QILLFSRXSA-N 1 3 348.491 0.672 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001074089602 787852875 /nfs/dbraw/zinc/85/28/75/787852875.db2.gz FQLFOHKXDPVAKV-HIFRSBDPSA-N 1 3 349.479 0.956 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@H]2CCN(C)C2=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001074885356 788487139 /nfs/dbraw/zinc/48/71/39/788487139.db2.gz ZFSRMLUGFIQLNY-KKUMJFAQSA-N 1 3 336.480 0.528 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001072742203 788690357 /nfs/dbraw/zinc/69/03/57/788690357.db2.gz NVTVXILSWKDFNB-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001072742203 788690364 /nfs/dbraw/zinc/69/03/64/788690364.db2.gz NVTVXILSWKDFNB-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001072801461 788833175 /nfs/dbraw/zinc/83/31/75/788833175.db2.gz SUBLNHGUQYCVIT-HIFRSBDPSA-N 1 3 335.452 0.647 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001072801461 788833183 /nfs/dbraw/zinc/83/31/83/788833183.db2.gz SUBLNHGUQYCVIT-HIFRSBDPSA-N 1 3 335.452 0.647 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2)C1CCC1 ZINC001072816220 788875666 /nfs/dbraw/zinc/87/56/66/788875666.db2.gz SRPJWTDWQSCLLE-UHFFFAOYSA-N 1 3 331.464 0.902 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2)C1CCC1 ZINC001072816220 788875677 /nfs/dbraw/zinc/87/56/77/788875677.db2.gz SRPJWTDWQSCLLE-UHFFFAOYSA-N 1 3 331.464 0.902 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001075155880 788994845 /nfs/dbraw/zinc/99/48/45/788994845.db2.gz OFKGAHRQCJZJCK-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001072979750 789204401 /nfs/dbraw/zinc/20/44/01/789204401.db2.gz KJYHJEMAENMSNF-INIZCTEOSA-N 1 3 331.464 0.902 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001072979750 789204407 /nfs/dbraw/zinc/20/44/07/789204407.db2.gz KJYHJEMAENMSNF-INIZCTEOSA-N 1 3 331.464 0.902 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN([C@@H]1CCCN(C)C1=O)C2 ZINC001072982118 789213504 /nfs/dbraw/zinc/21/35/04/789213504.db2.gz ZVVBFKGNIWRYHL-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN([C@@H]1CCCN(C)C1=O)C2 ZINC001072982118 789213510 /nfs/dbraw/zinc/21/35/10/789213510.db2.gz ZVVBFKGNIWRYHL-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]Cc1cncn1C ZINC001075336125 789230390 /nfs/dbraw/zinc/23/03/90/789230390.db2.gz YCKIXIXPRZWCIJ-KBPBESRZSA-N 1 3 330.436 0.960 20 0 ECADHO Cc1nnc(CNC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)[nH]1 ZINC001075356243 789264248 /nfs/dbraw/zinc/26/42/48/789264248.db2.gz WPSCRKMCUOWFGS-DZGCQCFKSA-N 1 3 346.479 0.783 20 0 ECADHO CCCN(C)CC(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001073038340 789319751 /nfs/dbraw/zinc/31/97/51/789319751.db2.gz DLJHRZXHNGKCDG-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073038340 789319761 /nfs/dbraw/zinc/31/97/61/789319761.db2.gz DLJHRZXHNGKCDG-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N(C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073040625 789327984 /nfs/dbraw/zinc/32/79/84/789327984.db2.gz NXFAHBOYUWJEPB-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073040625 789327990 /nfs/dbraw/zinc/32/79/90/789327990.db2.gz NXFAHBOYUWJEPB-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1nc(C)n(CC[N@@H+]2CCC3(CN(C(=O)CN4CCCC4)C3)C2)n1 ZINC001073431249 789833251 /nfs/dbraw/zinc/83/32/51/789833251.db2.gz USOUETHFDPJAGD-UHFFFAOYSA-N 1 3 346.479 0.525 20 0 ECADHO Cc1nc(C)n(CC[N@H+]2CCC3(CN(C(=O)CN4CCCC4)C3)C2)n1 ZINC001073431249 789833256 /nfs/dbraw/zinc/83/32/56/789833256.db2.gz USOUETHFDPJAGD-UHFFFAOYSA-N 1 3 346.479 0.525 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001068168936 792775364 /nfs/dbraw/zinc/77/53/64/792775364.db2.gz ZULIDNNKOQYEDW-DZGCQCFKSA-N 1 3 335.452 0.457 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001068168936 792775373 /nfs/dbraw/zinc/77/53/73/792775373.db2.gz ZULIDNNKOQYEDW-DZGCQCFKSA-N 1 3 335.452 0.457 20 0 ECADHO COc1coc(CNCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cc1=O ZINC001267424958 837397704 /nfs/dbraw/zinc/39/77/04/837397704.db2.gz IVSSKBMDXGWNPX-MRXNPFEDSA-N 1 3 339.436 0.783 20 0 ECADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267456163 837441641 /nfs/dbraw/zinc/44/16/41/837441641.db2.gz NIJSVGAYFMVHEF-HUUCEWRRSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001408631977 837584023 /nfs/dbraw/zinc/58/40/23/837584023.db2.gz OJRCJHZQFHHEOV-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CCOCCCN1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267575754 837827565 /nfs/dbraw/zinc/82/75/65/837827565.db2.gz KTRFJPAPIYBIPI-KRWDZBQOSA-N 1 3 340.512 0.441 20 0 ECADHO CCOCCCN1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267575754 837827578 /nfs/dbraw/zinc/82/75/78/837827578.db2.gz KTRFJPAPIYBIPI-KRWDZBQOSA-N 1 3 340.512 0.441 20 0 ECADHO C[C@H]1CCCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001266808594 836330790 /nfs/dbraw/zinc/33/07/90/836330790.db2.gz KUHPOQSRTKCUET-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CN(CCNCC(=O)N1CCCC1)C(=O)CCC[NH+]1CCCCC1 ZINC001267088949 836739642 /nfs/dbraw/zinc/73/96/42/836739642.db2.gz DYSOQSOIIWOGHG-UHFFFAOYSA-N 1 3 338.496 0.923 20 0 ECADHO Cc1nnc(CNCCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001267918959 838790991 /nfs/dbraw/zinc/79/09/91/838790991.db2.gz JLRZKFUHCHFPLJ-OAHLLOKOSA-N 1 3 334.468 0.783 20 0 ECADHO Cc1nnc(CNCCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001267918959 838790994 /nfs/dbraw/zinc/79/09/94/838790994.db2.gz JLRZKFUHCHFPLJ-OAHLLOKOSA-N 1 3 334.468 0.783 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCN2CCCC2=O)C1 ZINC001267963942 838878597 /nfs/dbraw/zinc/87/85/97/838878597.db2.gz XSQBSXUPZCOXOC-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423194862 282092604 /nfs/dbraw/zinc/09/26/04/282092604.db2.gz RYARCBBUBMUVIP-INIZCTEOSA-N 1 3 338.496 0.764 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1=O ZINC000423981622 282102705 /nfs/dbraw/zinc/10/27/05/282102705.db2.gz TYIHNEZXQNRFPO-OAGGEKHMSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354668220 299090625 /nfs/dbraw/zinc/09/06/25/299090625.db2.gz AADZDMHQQJSJIQ-CQSZACIVSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000354689324 299096905 /nfs/dbraw/zinc/09/69/05/299096905.db2.gz KLNZKEXCZLVKTR-DLBZAZTESA-N 1 3 346.475 0.972 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC[NH+](C)CC1 ZINC000102051269 219183060 /nfs/dbraw/zinc/18/30/60/219183060.db2.gz KZYVSNJPIHPERU-HNNXBMFYSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)CN1CCN(C)CC1 ZINC000425676087 210077031 /nfs/dbraw/zinc/07/70/31/210077031.db2.gz HHVDDJKLSVWCHU-YESZJQIVSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)CN1CCN(C)CC1 ZINC000425676087 210077035 /nfs/dbraw/zinc/07/70/35/210077035.db2.gz HHVDDJKLSVWCHU-YESZJQIVSA-N 1 3 337.512 0.606 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000354950717 299169781 /nfs/dbraw/zinc/16/97/81/299169781.db2.gz WMSZBNNGKVTNDT-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000354950717 299169782 /nfs/dbraw/zinc/16/97/82/299169782.db2.gz WMSZBNNGKVTNDT-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000354960064 299173155 /nfs/dbraw/zinc/17/31/55/299173155.db2.gz NNFNHYVXWUUPJA-LSDHHAIUSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000354960064 299173160 /nfs/dbraw/zinc/17/31/60/299173160.db2.gz NNFNHYVXWUUPJA-LSDHHAIUSA-N 1 3 326.485 0.863 20 0 ECADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000355231647 299222492 /nfs/dbraw/zinc/22/24/92/299222492.db2.gz ZJHKMYGSYYSSCU-RCDICMHDSA-N 1 3 332.514 0.422 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000355267956 299228049 /nfs/dbraw/zinc/22/80/49/299228049.db2.gz SANYTUTWJXRKCF-ZBFHGGJFSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419427687 295901292 /nfs/dbraw/zinc/90/12/92/295901292.db2.gz SIEBNEBXMIJSLI-INIZCTEOSA-N 1 3 346.475 0.965 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420022912 283217990 /nfs/dbraw/zinc/21/79/90/283217990.db2.gz AFFBGHVHMVBGGG-ZIAGYGMSSA-N 1 3 342.484 0.406 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)N1CCN(C)CC1 ZINC000355485206 299258743 /nfs/dbraw/zinc/25/87/43/299258743.db2.gz YKQAMKXKVBAOMT-DLBZAZTESA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)N1CCN(C)CC1 ZINC000355485206 299258746 /nfs/dbraw/zinc/25/87/46/299258746.db2.gz YKQAMKXKVBAOMT-DLBZAZTESA-N 1 3 339.528 0.994 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420430098 209364862 /nfs/dbraw/zinc/36/48/62/209364862.db2.gz VJWZXKIVXPKPBW-ZIAGYGMSSA-N 1 3 343.497 0.610 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000420424734 209364688 /nfs/dbraw/zinc/36/46/88/209364688.db2.gz OQKJYAGRTIOVNE-ZDUSSCGKSA-N 1 3 329.470 0.077 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000420424732 209364545 /nfs/dbraw/zinc/36/45/45/209364545.db2.gz OQKJYAGRTIOVNE-CYBMUJFWSA-N 1 3 329.470 0.077 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000420392388 209359933 /nfs/dbraw/zinc/35/99/33/209359933.db2.gz PLNMHNXEWOUQBA-IAGOWNOFSA-N 1 3 334.464 0.455 20 0 ECADHO O=S(=O)([C@H]1CCCN(CCC2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000420359436 209357519 /nfs/dbraw/zinc/35/75/19/209357519.db2.gz KNHIHZVQGVIEEV-INIZCTEOSA-N 1 3 345.509 0.503 20 0 ECADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172047 209329822 /nfs/dbraw/zinc/32/98/22/209329822.db2.gz VCOLSDURZADAGE-QLFBSQMISA-N 1 3 338.496 0.726 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000420129010 209315723 /nfs/dbraw/zinc/31/57/23/209315723.db2.gz UQWMYUDGJXUBEE-RRFJBIMHSA-N 1 3 326.485 0.857 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000420114199 209310518 /nfs/dbraw/zinc/31/05/18/209310518.db2.gz DBHQVRVKOGRCJI-CABCVRRESA-N 1 3 326.485 0.858 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000420102648 209306140 /nfs/dbraw/zinc/30/61/40/209306140.db2.gz ODGUYTMOXBZDIR-HNNXBMFYSA-N 1 3 344.459 0.706 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000420102648 209306144 /nfs/dbraw/zinc/30/61/44/209306144.db2.gz ODGUYTMOXBZDIR-HNNXBMFYSA-N 1 3 344.459 0.706 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420052532 209290868 /nfs/dbraw/zinc/29/08/68/209290868.db2.gz IBZNCPAPPXOGPE-UHFFFAOYSA-N 1 3 334.464 0.950 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000420009162 209275858 /nfs/dbraw/zinc/27/58/58/209275858.db2.gz VMHJCASXWMMRJM-CYBMUJFWSA-N 1 3 338.427 0.569 20 0 ECADHO CCOC[C@@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000356044375 299340256 /nfs/dbraw/zinc/34/02/56/299340256.db2.gz YPOCHUOMGYMGRO-INIZCTEOSA-N 1 3 342.484 0.242 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419901924 209244819 /nfs/dbraw/zinc/24/48/19/209244819.db2.gz VHKCEKXBHFLMFO-ZIAGYGMSSA-N 1 3 336.436 0.556 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419886477 209238976 /nfs/dbraw/zinc/23/89/76/209238976.db2.gz PLXQLLBNCDSJHD-INIZCTEOSA-N 1 3 332.448 0.575 20 0 ECADHO C[C@@H](NC(=O)NCCN1CC[NH2+]CC1)[C@@H](c1ccccc1)N(C)C ZINC000418161566 296080203 /nfs/dbraw/zinc/08/02/03/296080203.db2.gz BYAHZYFWRCTULE-WBVHZDCISA-N 1 3 333.480 0.882 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419735429 209191267 /nfs/dbraw/zinc/19/12/67/209191267.db2.gz QKVVRETVDNFPMW-JKSUJKDBSA-N 1 3 332.448 0.398 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@@H](C[NH3+])OC)cc2)CC1 ZINC000262774381 245172585 /nfs/dbraw/zinc/17/25/85/245172585.db2.gz BOJNVXMOUWWZPG-SFHVURJKSA-N 1 3 348.491 0.804 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(C4CCCC4)C3)C[C@H]12 ZINC000419697215 209175945 /nfs/dbraw/zinc/17/59/45/209175945.db2.gz QJHXFRFTRMOEIS-BFJAYTPKSA-N 1 3 334.464 0.315 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419690865 209172965 /nfs/dbraw/zinc/17/29/65/209172965.db2.gz FDKORVLUCIMTMY-XHSDSOJGSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419641031 209153396 /nfs/dbraw/zinc/15/33/96/209153396.db2.gz KTYWYEGMWQYGAL-XJKSGUPXSA-N 1 3 332.448 0.560 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](C)CC)C1 ZINC000246702588 284337216 /nfs/dbraw/zinc/33/72/16/284337216.db2.gz IUSRSKOEEDZFJK-HZPDHXFCSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC)C1 ZINC000246702588 284337221 /nfs/dbraw/zinc/33/72/21/284337221.db2.gz IUSRSKOEEDZFJK-HZPDHXFCSA-N 1 3 340.512 0.929 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)CCSC1 ZINC000419580280 209132556 /nfs/dbraw/zinc/13/25/56/209132556.db2.gz IDULBXRMRCWTRD-MRXNPFEDSA-N 1 3 342.509 0.046 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CC1 ZINC000444381844 211073833 /nfs/dbraw/zinc/07/38/33/211073833.db2.gz CXAHDQBWTNFFBQ-MRXNPFEDSA-N 1 3 340.512 0.318 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444267439 211065159 /nfs/dbraw/zinc/06/51/59/211065159.db2.gz GPDCRQHJZZEVIT-PKOBYXMFSA-N 1 3 343.475 0.710 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410911209 208020808 /nfs/dbraw/zinc/02/08/08/208020808.db2.gz COPMEGJSKMZUEL-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410911209 208020814 /nfs/dbraw/zinc/02/08/14/208020814.db2.gz COPMEGJSKMZUEL-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CC[C@@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@@H]2CC[N@H+](CC)C2)C1 ZINC000412879744 208263711 /nfs/dbraw/zinc/26/37/11/208263711.db2.gz PJUMRMBONDFXRN-KLHDSHLOSA-N 1 3 336.480 0.289 20 0 ECADHO CCN1CC[C@@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000412879744 208263718 /nfs/dbraw/zinc/26/37/18/208263718.db2.gz PJUMRMBONDFXRN-KLHDSHLOSA-N 1 3 336.480 0.289 20 0 ECADHO CCN1CC[C@@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000413538702 208339965 /nfs/dbraw/zinc/33/99/65/208339965.db2.gz AGVJQJLMTFWPLB-OAHLLOKOSA-N 1 3 335.452 0.915 20 0 ECADHO CC(C)N(C(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1)C1CCCC1 ZINC000430626233 210393117 /nfs/dbraw/zinc/39/31/17/210393117.db2.gz LDKSYTMURMJCPK-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000357586251 299595541 /nfs/dbraw/zinc/59/55/41/299595541.db2.gz XMJOOACHAOKWNP-ZDUSSCGKSA-N 1 3 336.436 0.632 20 0 ECADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCC[NH3+] ZINC000419828931 285283612 /nfs/dbraw/zinc/28/36/12/285283612.db2.gz DGUIXLDKIFJXPR-INIZCTEOSA-N 1 3 347.463 0.360 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419170201 209010846 /nfs/dbraw/zinc/01/08/46/209010846.db2.gz NLNNDJFBNPJUQS-OAGGEKHMSA-N 1 3 336.480 0.578 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419176175 209013765 /nfs/dbraw/zinc/01/37/65/209013765.db2.gz YXGNOEKAXBPOMJ-MAUKXSAKSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000419195695 209019975 /nfs/dbraw/zinc/01/99/75/209019975.db2.gz VNFBDYVOIFZCFI-HNNXBMFYSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N[C@@H](CN)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000419200043 209020791 /nfs/dbraw/zinc/02/07/91/209020791.db2.gz LRYYOWVVVUHMHC-PBHICJAKSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N[C@@H](CN)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000419200043 209020792 /nfs/dbraw/zinc/02/07/92/209020792.db2.gz LRYYOWVVVUHMHC-PBHICJAKSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419231503 209035454 /nfs/dbraw/zinc/03/54/54/209035454.db2.gz RZWVPCJPJDNXKI-HOCLYGCPSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419336565 209063069 /nfs/dbraw/zinc/06/30/69/209063069.db2.gz PQRYNWYFQLNWLK-RHSMWYFYSA-N 1 3 344.459 0.573 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)N(C)CC[NH3+])CC1 ZINC000416985591 285323547 /nfs/dbraw/zinc/32/35/47/285323547.db2.gz IIVJNJREVDUSDI-UHFFFAOYSA-N 1 3 333.480 0.924 20 0 ECADHO O=C(C[C@H]1CNCCO1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000296340704 258011466 /nfs/dbraw/zinc/01/14/66/258011466.db2.gz YSXMELAWGKJAFP-IRXDYDNUSA-N 1 3 332.448 0.931 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000419373157 209072781 /nfs/dbraw/zinc/07/27/81/209072781.db2.gz NRJXOBWJFUZVRT-HNNXBMFYSA-N 1 3 326.485 0.537 20 0 ECADHO NC[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000358744353 299757098 /nfs/dbraw/zinc/75/70/98/299757098.db2.gz OFYLNWDHVONPPY-HIFRSBDPSA-N 1 3 336.411 0.182 20 0 ECADHO CNS(=O)(=O)CCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000336859682 297167120 /nfs/dbraw/zinc/16/71/20/297167120.db2.gz JUBFBCULQSBIPE-UHFFFAOYSA-N 1 3 333.498 0.503 20 0 ECADHO Cn1c2ccc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cc2sc1=O ZINC000261927626 165263942 /nfs/dbraw/zinc/26/39/42/165263942.db2.gz LDLBQHRILJXJET-ZDUSSCGKSA-N 1 3 348.472 0.887 20 0 ECADHO c1nc(N2CCOCC2)cc(N2CCN(CC3CC[NH2+]CC3)CC2)n1 ZINC000261986509 165272796 /nfs/dbraw/zinc/27/27/96/165272796.db2.gz RWUUCUNRRIGSFK-UHFFFAOYSA-N 1 3 346.479 0.435 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2CCNC[C@@H]2c2cccnc2)CC1 ZINC000262184902 165304857 /nfs/dbraw/zinc/30/48/57/165304857.db2.gz JCBZRLYJFLURLX-QGZVFWFLSA-N 1 3 331.464 0.628 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000195125263 263169884 /nfs/dbraw/zinc/16/98/84/263169884.db2.gz JFFBFBPHQXMLHU-JKSUJKDBSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000195125263 263169885 /nfs/dbraw/zinc/16/98/85/263169885.db2.gz JFFBFBPHQXMLHU-JKSUJKDBSA-N 1 3 325.501 0.652 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000285082352 264276963 /nfs/dbraw/zinc/27/69/63/264276963.db2.gz MKDJMHMNOCDRRK-WBVHZDCISA-N 1 3 348.491 0.732 20 0 ECADHO COc1cc(CNC(=O)[C@H](CN)OC)ccc1OCC[NH+](C)C ZINC000289970935 264579952 /nfs/dbraw/zinc/57/99/52/264579952.db2.gz NIXIHRVKPXYGAG-HNNXBMFYSA-N 1 3 325.409 0.226 20 0 ECADHO CN(C)[C@H](CNC(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000416852570 273813541 /nfs/dbraw/zinc/81/35/41/273813541.db2.gz SGXVXHHKDWNHKZ-KRWDZBQOSA-N 1 3 333.480 0.364 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419648836 274216215 /nfs/dbraw/zinc/21/62/15/274216215.db2.gz BHGHIHJWWQHABE-OFQRWUPVSA-N 1 3 332.448 0.619 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N(C)Cc1ccccc1 ZINC000418949884 278197122 /nfs/dbraw/zinc/19/71/22/278197122.db2.gz QEWXEWSDXBNYCX-BFYDXBDKSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419697165 278233910 /nfs/dbraw/zinc/23/39/10/278233910.db2.gz QEZHKOIGAXCPPN-SOUVJXGZSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCC[NH2+]C1 ZINC000420105320 279159841 /nfs/dbraw/zinc/15/98/41/279159841.db2.gz QGLPLIHNKKKQEA-MAUKXSAKSA-N 1 3 336.480 0.579 20 0 ECADHO CCN(CCNC(=O)N1CCC([N@H+](C)CCCO)CC1)C1CC1 ZINC000154487373 279193642 /nfs/dbraw/zinc/19/36/42/279193642.db2.gz PCZBDZCNMLBUFJ-UHFFFAOYSA-N 1 3 326.485 0.959 20 0 ECADHO CCN(CCNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CC1 ZINC000154487373 279193643 /nfs/dbraw/zinc/19/36/43/279193643.db2.gz PCZBDZCNMLBUFJ-UHFFFAOYSA-N 1 3 326.485 0.959 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCN2C)CC1=O ZINC000246329535 279304510 /nfs/dbraw/zinc/30/45/10/279304510.db2.gz AVGYVIHBTDVHAN-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCN2C)CC1=O ZINC000246329535 279304511 /nfs/dbraw/zinc/30/45/11/279304511.db2.gz AVGYVIHBTDVHAN-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC([NH2+]C)CC2)CC1=O ZINC000179134528 279330495 /nfs/dbraw/zinc/33/04/95/279330495.db2.gz JRCYOMFNFXBNKU-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H]1CN(CC)CCN1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000458422204 281162795 /nfs/dbraw/zinc/16/27/95/281162795.db2.gz BOPUZBBFUWPQQA-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCSC1 ZINC000458518733 289342265 /nfs/dbraw/zinc/34/22/65/289342265.db2.gz RIWFSECZGRSHSZ-GOEBONIOSA-N 1 3 344.525 0.570 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419156880 289633337 /nfs/dbraw/zinc/63/33/37/289633337.db2.gz KDJGVNIZNCBNQQ-OAGGEKHMSA-N 1 3 338.496 0.666 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C[C@@H]21 ZINC000410954623 290160633 /nfs/dbraw/zinc/16/06/33/290160633.db2.gz PJRDSGWYXVLEFM-FPCVCCKLSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C[C@@H]21 ZINC000410954623 290160634 /nfs/dbraw/zinc/16/06/34/290160634.db2.gz PJRDSGWYXVLEFM-FPCVCCKLSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000418754157 290182963 /nfs/dbraw/zinc/18/29/63/290182963.db2.gz ASJSQNBCQUIOAH-IWZRMPOGSA-N 1 3 336.480 0.506 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332182952 297013931 /nfs/dbraw/zinc/01/39/31/297013931.db2.gz VYYKAMZJMLSERA-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332182952 297013932 /nfs/dbraw/zinc/01/39/32/297013932.db2.gz VYYKAMZJMLSERA-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H](C)C[NH+](C)C ZINC000359653817 299874869 /nfs/dbraw/zinc/87/48/69/299874869.db2.gz QUMOPZNMOGMNHM-MRXNPFEDSA-N 1 3 327.517 0.996 20 0 ECADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000333598832 297144115 /nfs/dbraw/zinc/14/41/15/297144115.db2.gz QCDQZBFGNCZZOJ-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1(C)C ZINC000333854814 297152110 /nfs/dbraw/zinc/15/21/10/297152110.db2.gz YAYHOBNWZINEOS-GOSISDBHSA-N 1 3 337.512 0.798 20 0 ECADHO CC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000334126767 297164697 /nfs/dbraw/zinc/16/46/97/297164697.db2.gz PZAVWWITPFRCSS-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO CC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000334126767 297164700 /nfs/dbraw/zinc/16/47/00/297164700.db2.gz PZAVWWITPFRCSS-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@](F)(CO)C3)CC2)CC1 ZINC000338702314 297290150 /nfs/dbraw/zinc/29/01/50/297290150.db2.gz AENWSDWKNRFYLK-QGZVFWFLSA-N 1 3 342.459 0.661 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000339579229 297361437 /nfs/dbraw/zinc/36/14/37/297361437.db2.gz NIBAFGGFXYIVAT-HRCADAONSA-N 1 3 340.512 0.927 20 0 ECADHO CC(C)[C@H](C(=O)NCCCNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC000342951294 297797906 /nfs/dbraw/zinc/79/79/06/297797906.db2.gz LJYLZTNYHOQSEA-HUUCEWRRSA-N 1 3 328.501 0.781 20 0 ECADHO CC[NH+](CC)CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000344480661 298026425 /nfs/dbraw/zinc/02/64/25/298026425.db2.gz FNGNROHQBZPXRL-UHFFFAOYSA-N 1 3 341.500 0.570 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)C(C)(C)CCC(=O)N[C@@H](C)C[NH+](C)C ZINC000346135104 298231416 /nfs/dbraw/zinc/23/14/16/298231416.db2.gz CIYVWVGDZVCAFP-KBPBESRZSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)CCC(C)(C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000346135104 298231419 /nfs/dbraw/zinc/23/14/19/298231419.db2.gz CIYVWVGDZVCAFP-KBPBESRZSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000346550503 298291993 /nfs/dbraw/zinc/29/19/93/298291993.db2.gz WAXFWUYSNIMZSA-DJIMGWMZSA-N 1 3 348.491 0.672 20 0 ECADHO Cc1nn(-c2ccncc2)cc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347028765 298389850 /nfs/dbraw/zinc/38/98/50/298389850.db2.gz WDIFHSTWCAPHQW-HNNXBMFYSA-N 1 3 342.447 0.863 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351537718 298780028 /nfs/dbraw/zinc/78/00/28/298780028.db2.gz JCNBHQLGIRIHQU-JKSUJKDBSA-N 1 3 332.448 0.144 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC000353446125 299049105 /nfs/dbraw/zinc/04/91/05/299049105.db2.gz ZHYGGOWHARLZQN-CVEARBPZSA-N 1 3 336.480 0.245 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000073904934 436097986 /nfs/dbraw/zinc/09/79/86/436097986.db2.gz SSEMPDWNDMAPFX-HZPDHXFCSA-N 1 3 327.517 0.899 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074491362 436130148 /nfs/dbraw/zinc/13/01/48/436130148.db2.gz ZBNMHZFLOIBUFU-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074491362 436130154 /nfs/dbraw/zinc/13/01/54/436130154.db2.gz ZBNMHZFLOIBUFU-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000075007730 436147061 /nfs/dbraw/zinc/14/70/61/436147061.db2.gz RSRYYSMKCWYESL-QGZVFWFLSA-N 1 3 343.512 0.502 20 0 ECADHO CN(C)C/C=C/C(=O)N(C1CC1)[C@@H]1CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000374474314 301110295 /nfs/dbraw/zinc/11/02/95/301110295.db2.gz WLBBAONNPZFIFB-QGIGQLMMSA-N 1 3 348.491 0.814 20 0 ECADHO CN(C)C/C=C/C(=O)N1CC[C@@H](N(C(=O)/C=C/C[NH+](C)C)C2CC2)C1 ZINC000374474314 301110296 /nfs/dbraw/zinc/11/02/96/301110296.db2.gz WLBBAONNPZFIFB-QGIGQLMMSA-N 1 3 348.491 0.814 20 0 ECADHO CN1CC[C@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)[C@H]2C1 ZINC000376823331 301295408 /nfs/dbraw/zinc/29/54/08/301295408.db2.gz OMUQFZUIZZJBCZ-RDJZCZTQSA-N 1 3 337.512 0.748 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](N)Cc3ccccc3)C2)CC1 ZINC000377195458 301329464 /nfs/dbraw/zinc/32/94/64/301329464.db2.gz FIUYOUQHDJGRBE-WMZOPIPTSA-N 1 3 330.476 0.841 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](N)Cc3ccccc3)C2)CC1 ZINC000377195458 301329467 /nfs/dbraw/zinc/32/94/67/301329467.db2.gz FIUYOUQHDJGRBE-WMZOPIPTSA-N 1 3 330.476 0.841 20 0 ECADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000377807573 301377956 /nfs/dbraw/zinc/37/79/56/301377956.db2.gz SOLCXSTVMFGASF-RDJZCZTQSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCN(CC(F)F)CC1 ZINC000077801260 436252747 /nfs/dbraw/zinc/25/27/47/436252747.db2.gz WYKNWLQTFGOHEF-UHFFFAOYSA-N 1 3 349.470 0.851 20 0 ECADHO CN(C)C1(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000521411018 301788245 /nfs/dbraw/zinc/78/82/45/301788245.db2.gz SWCZLLQJLMRIQI-KRWDZBQOSA-N 1 3 346.475 0.845 20 0 ECADHO CCN1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000050798801 436478242 /nfs/dbraw/zinc/47/82/42/436478242.db2.gz MVVHZSMKEOJQRU-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CC[NH+]1CCN(CCCCNC(=O)N2CCN(C3CC3)CC2)CC1 ZINC000105135054 436570557 /nfs/dbraw/zinc/57/05/57/436570557.db2.gz YYUOHWJXIRZAPX-UHFFFAOYSA-N 1 3 337.512 0.894 20 0 ECADHO O=C(CCCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000060470515 436633119 /nfs/dbraw/zinc/63/31/19/436633119.db2.gz UJBNQLWCAXHFQW-GJZGRUSLSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(CCCC(=O)N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000060470515 436633121 /nfs/dbraw/zinc/63/31/21/436633121.db2.gz UJBNQLWCAXHFQW-GJZGRUSLSA-N 1 3 348.491 0.863 20 0 ECADHO CCO[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1OC ZINC000548523949 302306347 /nfs/dbraw/zinc/30/63/47/302306347.db2.gz LEVWVAOLUUMNPZ-RRFJBIMHSA-N 1 3 330.473 0.314 20 0 ECADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H]3CNCCO3)nc2)CC1 ZINC000269306627 436656279 /nfs/dbraw/zinc/65/62/79/436656279.db2.gz UAAQJZPGAPYYSX-INIZCTEOSA-N 1 3 347.463 0.929 20 0 ECADHO CC(C)[C@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[NH+](C)C ZINC000152739097 436739665 /nfs/dbraw/zinc/73/96/65/436739665.db2.gz CBMJSJOOVXNSEZ-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000153210537 436750145 /nfs/dbraw/zinc/75/01/45/436750145.db2.gz HYHWVMHHHZYICW-INIZCTEOSA-N 1 3 327.469 0.450 20 0 ECADHO CCN(CCO)CCNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000248989607 436813270 /nfs/dbraw/zinc/81/32/70/436813270.db2.gz KVNNYACTKZXHMZ-HRCADAONSA-N 1 3 328.501 0.966 20 0 ECADHO COc1ccccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130535423 436838897 /nfs/dbraw/zinc/83/88/97/436838897.db2.gz YFYXEPXORIGZDO-UHFFFAOYSA-N 1 3 336.436 0.586 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000420425563 302805544 /nfs/dbraw/zinc/80/55/44/302805544.db2.gz UZDQNSOHNRVEQF-AWEZNQCLSA-N 1 3 343.497 0.563 20 0 ECADHO CN1CCN(CC[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1(C)C ZINC000282509331 437014497 /nfs/dbraw/zinc/01/44/97/437014497.db2.gz YUOMREJDYRBHOC-UHFFFAOYSA-N 1 3 344.459 0.898 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000331491754 437105520 /nfs/dbraw/zinc/10/55/20/437105520.db2.gz JQIXDSTYPCBTBE-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000331491754 437105522 /nfs/dbraw/zinc/10/55/22/437105522.db2.gz JQIXDSTYPCBTBE-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276663489 437144540 /nfs/dbraw/zinc/14/45/40/437144540.db2.gz PZGLMOWZZGKZJH-KZNAEPCWSA-N 1 3 347.459 0.271 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331725149 437151794 /nfs/dbraw/zinc/15/17/94/437151794.db2.gz WPWFKRHSSMNVPI-WCVJEAGWSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331725149 437151797 /nfs/dbraw/zinc/15/17/97/437151797.db2.gz WPWFKRHSSMNVPI-WCVJEAGWSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000331932070 437182514 /nfs/dbraw/zinc/18/25/14/437182514.db2.gz LKVMNRVIAOGGSC-KKUMJFAQSA-N 1 3 336.480 0.291 20 0 ECADHO CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000287586849 437208818 /nfs/dbraw/zinc/20/88/18/437208818.db2.gz NVQJIYPSIYGKLW-QGZVFWFLSA-N 1 3 346.475 0.787 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332653651 437240500 /nfs/dbraw/zinc/24/05/00/437240500.db2.gz KUXXVXYHNLSXQO-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO COC(=O)C[C@]1([NH2+]CCCN2CCN(C(C)C)CC2)CCOC1 ZINC000337321358 437350575 /nfs/dbraw/zinc/35/05/75/437350575.db2.gz QAIVSBYGFGDJOJ-QGZVFWFLSA-N 1 3 327.469 0.714 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CSCC1=O ZINC000337582706 437366404 /nfs/dbraw/zinc/36/64/04/437366404.db2.gz PAHMVLXYAYVZRV-AWEZNQCLSA-N 1 3 342.509 0.394 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CSCC1=O ZINC000337582706 437366409 /nfs/dbraw/zinc/36/64/09/437366409.db2.gz PAHMVLXYAYVZRV-AWEZNQCLSA-N 1 3 342.509 0.394 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000337627240 437372110 /nfs/dbraw/zinc/37/21/10/437372110.db2.gz BAFPXVPDBQOQQF-HOTGVXAUSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000337627240 437372115 /nfs/dbraw/zinc/37/21/15/437372115.db2.gz BAFPXVPDBQOQQF-HOTGVXAUSA-N 1 3 336.480 0.341 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 ZINC000185203620 437429617 /nfs/dbraw/zinc/42/96/17/437429617.db2.gz KHEFHYOPBVZNML-KGLIPLIRSA-N 1 3 326.441 0.265 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 ZINC000185203620 437429621 /nfs/dbraw/zinc/42/96/21/437429621.db2.gz KHEFHYOPBVZNML-KGLIPLIRSA-N 1 3 326.441 0.265 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000339580800 437473588 /nfs/dbraw/zinc/47/35/88/437473588.db2.gz JQKRIBCNHCQVNV-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000187023710 437492569 /nfs/dbraw/zinc/49/25/69/437492569.db2.gz YUXSXCNMMJAVRG-LSDHHAIUSA-N 1 3 342.484 0.949 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000187010239 437492125 /nfs/dbraw/zinc/49/21/25/437492125.db2.gz CGPMREDIADDJJF-SOUVJXGZSA-N 1 3 342.484 0.947 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000340509002 437678121 /nfs/dbraw/zinc/67/81/21/437678121.db2.gz CUHYQHJXKHOTHG-WBVHZDCISA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000340509002 437678125 /nfs/dbraw/zinc/67/81/25/437678125.db2.gz CUHYQHJXKHOTHG-WBVHZDCISA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C)C[NH+]1CCCC1 ZINC000340775683 437730556 /nfs/dbraw/zinc/73/05/56/437730556.db2.gz NIAXJQATLRAPQL-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000340785354 437731688 /nfs/dbraw/zinc/73/16/88/437731688.db2.gz YFALUQBLIZLJQG-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO COCC[C@]1(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)CC[NH2+]C1 ZINC000370656905 437816764 /nfs/dbraw/zinc/81/67/64/437816764.db2.gz FZQGDVVWIXGLDU-QGZVFWFLSA-N 1 3 344.419 0.885 20 0 ECADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423747030 437822943 /nfs/dbraw/zinc/82/29/43/437822943.db2.gz OOUVOGOTLGAFSQ-CABCVRRESA-N 1 3 325.453 0.862 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCCC[C@H]1CN)C(C)C ZINC000423622463 437782630 /nfs/dbraw/zinc/78/26/30/437782630.db2.gz MRQADHLZEHJQHX-HNNXBMFYSA-N 1 3 326.485 0.903 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363425634 437789994 /nfs/dbraw/zinc/78/99/94/437789994.db2.gz FHGVAVDEPUAVQX-DLBZAZTESA-N 1 3 348.491 0.627 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363425634 437789998 /nfs/dbraw/zinc/78/99/98/437789998.db2.gz FHGVAVDEPUAVQX-DLBZAZTESA-N 1 3 348.491 0.627 20 0 ECADHO CCCN(C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423670072 437797115 /nfs/dbraw/zinc/79/71/15/437797115.db2.gz YWYZSCVPKRHNNJ-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)CN(C)[C@@H]1CCSC1 ZINC000356644670 437805894 /nfs/dbraw/zinc/80/58/94/437805894.db2.gz MTMWQPUIDOECMR-OAHLLOKOSA-N 1 3 330.542 0.766 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)CN(C)[C@@H]1CCSC1 ZINC000356644670 437805898 /nfs/dbraw/zinc/80/58/98/437805898.db2.gz MTMWQPUIDOECMR-OAHLLOKOSA-N 1 3 330.542 0.766 20 0 ECADHO CN(CCCN(C)C(=O)CN(C)[C@@H]1CCSC1)CC[NH+](C)C ZINC000356644670 437805902 /nfs/dbraw/zinc/80/59/02/437805902.db2.gz MTMWQPUIDOECMR-OAHLLOKOSA-N 1 3 330.542 0.766 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423771727 437829458 /nfs/dbraw/zinc/82/94/58/437829458.db2.gz IWNHAAZDEHWLKG-CQSZACIVSA-N 1 3 338.477 0.507 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)CC[NH3+])c(C)c2)CC1 ZINC000415881661 437876638 /nfs/dbraw/zinc/87/66/38/437876638.db2.gz VPNZFPTXZLUVDM-UHFFFAOYSA-N 1 3 347.463 0.493 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000415627133 437833410 /nfs/dbraw/zinc/83/34/10/437833410.db2.gz WTEWYBWWSLXCPX-CQSZACIVSA-N 1 3 348.447 0.824 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000415686455 437841758 /nfs/dbraw/zinc/84/17/58/437841758.db2.gz HSKBKBZHFXCQMW-GOSISDBHSA-N 1 3 348.447 0.763 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415747983 437853699 /nfs/dbraw/zinc/85/36/99/437853699.db2.gz PFKJGNUMFLEIIK-CABCVRRESA-N 1 3 330.432 0.755 20 0 ECADHO CCOCCNC(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426439 437933828 /nfs/dbraw/zinc/93/38/28/437933828.db2.gz XLIOSFGVWHWGAM-MRXNPFEDSA-N 1 3 326.485 0.239 20 0 ECADHO CCN1CCO[C@H](C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000365748769 437962971 /nfs/dbraw/zinc/96/29/71/437962971.db2.gz BWUPRFJRMMKMRA-IRXDYDNUSA-N 1 3 338.496 0.334 20 0 ECADHO CCN1CCO[C@H](C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000365748770 437963171 /nfs/dbraw/zinc/96/31/71/437963171.db2.gz BWUPRFJRMMKMRA-SJORKVTESA-N 1 3 338.496 0.334 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342089705 437964913 /nfs/dbraw/zinc/96/49/13/437964913.db2.gz RUCSEHVNLNFVKK-GJZGRUSLSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342089705 437964917 /nfs/dbraw/zinc/96/49/17/437964917.db2.gz RUCSEHVNLNFVKK-GJZGRUSLSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)N(C)C1CC1 ZINC000342094443 437967035 /nfs/dbraw/zinc/96/70/35/437967035.db2.gz YPMYZGDKAKYUGG-IIAWOOMASA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)N(C)C1CC1 ZINC000342094443 437967039 /nfs/dbraw/zinc/96/70/39/437967039.db2.gz YPMYZGDKAKYUGG-IIAWOOMASA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425395480 438024369 /nfs/dbraw/zinc/02/43/69/438024369.db2.gz XUQCJHUIQAPJQK-QKPAOTATSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425395480 438024377 /nfs/dbraw/zinc/02/43/77/438024377.db2.gz XUQCJHUIQAPJQK-QKPAOTATSA-N 1 3 336.480 0.338 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000357625741 438028329 /nfs/dbraw/zinc/02/83/29/438028329.db2.gz JJSUDLWIDUJFTH-ZBFHGGJFSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417359465 438041696 /nfs/dbraw/zinc/04/16/96/438041696.db2.gz IQZIXKYCYXLMPM-IYBDPMFKSA-N 1 3 332.448 0.988 20 0 ECADHO [NH3+]C1(CNC(=O)NCCCN2CCN(c3ccncc3)CC2)CCC1 ZINC000417371467 438043441 /nfs/dbraw/zinc/04/34/41/438043441.db2.gz VWLDYIPRRQCFGE-UHFFFAOYSA-N 1 3 346.479 0.774 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H]1CNCCO1 ZINC000417371800 438044637 /nfs/dbraw/zinc/04/46/37/438044637.db2.gz VZAKOCLREILGAZ-HNNXBMFYSA-N 1 3 336.436 0.415 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417428377 438048023 /nfs/dbraw/zinc/04/80/23/438048023.db2.gz KVDMMCOMTIKTCJ-ZIAGYGMSSA-N 1 3 327.473 0.212 20 0 ECADHO C[C@@H](CCCC[NH3+])NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417428747 438049034 /nfs/dbraw/zinc/04/90/34/438049034.db2.gz LSOVQZQFOONTOJ-LSDHHAIUSA-N 1 3 341.500 0.746 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000417813181 438080307 /nfs/dbraw/zinc/08/03/07/438080307.db2.gz MCWOTDBGPJJGCZ-HNNXBMFYSA-N 1 3 337.472 0.815 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000417813181 438080310 /nfs/dbraw/zinc/08/03/10/438080310.db2.gz MCWOTDBGPJJGCZ-HNNXBMFYSA-N 1 3 337.472 0.815 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CN1C1CC1 ZINC000417861151 438084583 /nfs/dbraw/zinc/08/45/83/438084583.db2.gz XFQFXEDYNOFXJO-RDBSUJKOSA-N 1 3 337.468 0.108 20 0 ECADHO C[C@@H]1NCCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H]1C ZINC000417951844 438094930 /nfs/dbraw/zinc/09/49/30/438094930.db2.gz NMKQWJVHXKDNTF-KBPBESRZSA-N 1 3 335.452 0.914 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417949556 438095206 /nfs/dbraw/zinc/09/52/06/438095206.db2.gz KMUSIJUNRAFILB-HIFRSBDPSA-N 1 3 335.452 0.819 20 0 ECADHO Cn1ccnc1[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C1CC1 ZINC000342802996 438066179 /nfs/dbraw/zinc/06/61/79/438066179.db2.gz SRPFGXIEJWEBOC-KRWDZBQOSA-N 1 3 335.496 0.851 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417702126 438069051 /nfs/dbraw/zinc/06/90/51/438069051.db2.gz INCIQQJDJQKESA-INIZCTEOSA-N 1 3 335.452 0.581 20 0 ECADHO COCC[C@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)CC[NH2+]C1 ZINC000366412302 438069476 /nfs/dbraw/zinc/06/94/76/438069476.db2.gz AVGBPBCGBFYZNW-QGZVFWFLSA-N 1 3 333.436 0.446 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccncc1OCCN(C)C ZINC000418195338 438117057 /nfs/dbraw/zinc/11/70/57/438117057.db2.gz PRGVFXGGUGUBMC-HNNXBMFYSA-N 1 3 335.452 0.915 20 0 ECADHO C[C@@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)[C@H](C)CN1 ZINC000418198949 438118191 /nfs/dbraw/zinc/11/81/91/438118191.db2.gz WFGPBZAIVBCADS-ZIAGYGMSSA-N 1 3 335.452 0.914 20 0 ECADHO CN(C)CCOc1cnccc1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418196521 438118504 /nfs/dbraw/zinc/11/85/04/438118504.db2.gz RDXVMNNGWCLKAI-HNNXBMFYSA-N 1 3 335.452 0.963 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)COC3CNC3)cc2)C1 ZINC000430867996 438127049 /nfs/dbraw/zinc/12/70/49/438127049.db2.gz MKOQWMNUOLZWOD-CQSZACIVSA-N 1 3 346.431 0.311 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)COC3CNC3)cc2)C1 ZINC000430867996 438127053 /nfs/dbraw/zinc/12/70/53/438127053.db2.gz MKOQWMNUOLZWOD-CQSZACIVSA-N 1 3 346.431 0.311 20 0 ECADHO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000358049871 438131281 /nfs/dbraw/zinc/13/12/81/438131281.db2.gz SFJTYJXLGCPEBM-AWEZNQCLSA-N 1 3 332.448 0.866 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000418397902 438141451 /nfs/dbraw/zinc/14/14/51/438141451.db2.gz VXEXYVVRPAFSLF-AWEZNQCLSA-N 1 3 327.473 0.038 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000358094641 438148275 /nfs/dbraw/zinc/14/82/75/438148275.db2.gz KBXWPWWZFPHGKB-JKSUJKDBSA-N 1 3 347.525 0.749 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1 ZINC000358094631 438148316 /nfs/dbraw/zinc/14/83/16/438148316.db2.gz KBXWPWWZFPHGKB-CVEARBPZSA-N 1 3 347.525 0.749 20 0 ECADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@@H]1CCCN(CCCO)C1 ZINC000418677437 438175203 /nfs/dbraw/zinc/17/52/03/438175203.db2.gz AQMJDHXILSNWMZ-FGTMMUONSA-N 1 3 346.475 0.888 20 0 ECADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000367181236 438179247 /nfs/dbraw/zinc/17/92/47/438179247.db2.gz XKJVOTWHQPCNBW-OWYFMNJBSA-N 1 3 325.453 0.498 20 0 ECADHO C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)CCCC1 ZINC000418805949 438193504 /nfs/dbraw/zinc/19/35/04/438193504.db2.gz NWGZGMVIEXKUOC-HNNXBMFYSA-N 1 3 338.496 0.858 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418574273 438162398 /nfs/dbraw/zinc/16/23/98/438162398.db2.gz GDZZDGHDNQDSEQ-HUUCEWRRSA-N 1 3 325.501 0.972 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)C(=O)NCCN(C)C ZINC000418599341 438163965 /nfs/dbraw/zinc/16/39/65/438163965.db2.gz JKKRLHRUAYUECF-ILXRZTDVSA-N 1 3 341.500 0.519 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418855818 438221202 /nfs/dbraw/zinc/22/12/02/438221202.db2.gz VOTYPUYRKUGSNR-ZBFHGGJFSA-N 1 3 334.464 0.247 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000418862983 438224793 /nfs/dbraw/zinc/22/47/93/438224793.db2.gz GPSHXLNSGCJBBJ-ZBFHGGJFSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@H]1CN(C(=O)CCCN2CCC([NH3+])CC2)CCN1C[C@H](C)O ZINC000433138190 438226455 /nfs/dbraw/zinc/22/64/55/438226455.db2.gz RIPYJDIHTROBLR-RDJZCZTQSA-N 1 3 340.512 0.493 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000418866229 438227563 /nfs/dbraw/zinc/22/75/63/438227563.db2.gz SJUQNPUEOQKUKS-INIZCTEOSA-N 1 3 332.448 0.521 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418876763 438231744 /nfs/dbraw/zinc/23/17/44/438231744.db2.gz MOQLOLMMVRLIJK-PVAVHDDUSA-N 1 3 346.475 0.390 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)C1=CCN(C)CC1 ZINC000358312396 438197830 /nfs/dbraw/zinc/19/78/30/438197830.db2.gz APYIHBXCGZIQJT-ODIFPOPNSA-N 1 3 348.491 0.886 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N(C)Cc1ccccc1 ZINC000418937437 438255736 /nfs/dbraw/zinc/25/57/36/438255736.db2.gz CNDVXXVZTBEFJS-BFYDXBDKSA-N 1 3 346.475 0.880 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418967937 438268267 /nfs/dbraw/zinc/26/82/67/438268267.db2.gz SUCMBXNQQWQIFE-HOCLYGCPSA-N 1 3 332.448 0.430 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418981467 438271576 /nfs/dbraw/zinc/27/15/76/438271576.db2.gz GQQIVJGNYWZRHL-ZBFHGGJFSA-N 1 3 332.448 0.651 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418981467 438271579 /nfs/dbraw/zinc/27/15/79/438271579.db2.gz GQQIVJGNYWZRHL-ZBFHGGJFSA-N 1 3 332.448 0.651 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000368009151 438274535 /nfs/dbraw/zinc/27/45/35/438274535.db2.gz WQWXDKQJMSESTE-HRCADAONSA-N 1 3 349.431 0.537 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000358676606 438278841 /nfs/dbraw/zinc/27/88/41/438278841.db2.gz DSYRNBDMUOAAPY-BFYDXBDKSA-N 1 3 326.485 0.720 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000351527239 438279292 /nfs/dbraw/zinc/27/92/92/438279292.db2.gz YYUCTYVGLLVSDG-OIISXLGYSA-N 1 3 344.459 0.634 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419003608 438280678 /nfs/dbraw/zinc/28/06/78/438280678.db2.gz DGAXQSXFUFJJNL-CQSZACIVSA-N 1 3 332.448 0.752 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCN1CCc2ccccc2C1 ZINC000351536951 438283355 /nfs/dbraw/zinc/28/33/55/438283355.db2.gz HHUDRMWIBHUPSN-QGZVFWFLSA-N 1 3 344.459 0.419 20 0 ECADHO CC1CCC(N2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000351553559 438286960 /nfs/dbraw/zinc/28/69/60/438286960.db2.gz FMZBQNLSZPQZNA-GPANFISMSA-N 1 3 336.480 0.578 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419024481 438292813 /nfs/dbraw/zinc/29/28/13/438292813.db2.gz KWSZZIWCMLZCBH-UONOGXRCSA-N 1 3 326.485 0.857 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419024911 438293456 /nfs/dbraw/zinc/29/34/56/438293456.db2.gz LGXMPAUYIUFSAL-FZKCQIBNSA-N 1 3 338.496 0.727 20 0 ECADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCNCC1)CC(C)C ZINC000419126507 438334119 /nfs/dbraw/zinc/33/41/19/438334119.db2.gz NGASKXSKWNCGPS-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO NC[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000434672072 438312174 /nfs/dbraw/zinc/31/21/74/438312174.db2.gz XLJXLFWAOMKBMI-IRXDYDNUSA-N 1 3 340.427 0.824 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419080875 438313104 /nfs/dbraw/zinc/31/31/04/438313104.db2.gz QKDOYUQXJMFQEP-YJBOKZPZSA-N 1 3 338.496 0.873 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420120322 438388450 /nfs/dbraw/zinc/38/84/50/438388450.db2.gz JVHJWBPPEPVHQB-GJZGRUSLSA-N 1 3 342.484 0.060 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420107302 438388847 /nfs/dbraw/zinc/38/88/47/438388847.db2.gz VUTVULVIOJDNFY-UHFFFAOYSA-N 1 3 330.432 0.460 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419695294 438367220 /nfs/dbraw/zinc/36/72/20/438367220.db2.gz KUEZIHLQACNTRW-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CN1CC[C@H](N2CCC3(CC[N@@H+]([C@H]4CCN(C)C4=O)C3)CC2)C1=O ZINC000368764564 438377555 /nfs/dbraw/zinc/37/75/55/438377555.db2.gz HSZQTFMLXDTVDI-GJZGRUSLSA-N 1 3 334.464 0.236 20 0 ECADHO CN1CC[C@H](N2CCC3(CC[N@H+]([C@H]4CCN(C)C4=O)C3)CC2)C1=O ZINC000368764564 438377560 /nfs/dbraw/zinc/37/75/60/438377560.db2.gz HSZQTFMLXDTVDI-GJZGRUSLSA-N 1 3 334.464 0.236 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000420023545 438381661 /nfs/dbraw/zinc/38/16/61/438381661.db2.gz AQVGRCRZKAFMHL-IHRRRGAJSA-N 1 3 340.468 0.016 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000420023545 438381667 /nfs/dbraw/zinc/38/16/67/438381667.db2.gz AQVGRCRZKAFMHL-IHRRRGAJSA-N 1 3 340.468 0.016 20 0 ECADHO Cc1cc(NC(=O)CN2CCN(CCC3CC[NH2+]CC3)CC2)no1 ZINC000359222019 438382426 /nfs/dbraw/zinc/38/24/26/438382426.db2.gz PIRRMHIIDUVQRF-UHFFFAOYSA-N 1 3 335.452 0.929 20 0 ECADHO CCN(C[C@@H](C)O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000352416102 438421551 /nfs/dbraw/zinc/42/15/51/438421551.db2.gz DIYWMPDWFFZKSO-CQSZACIVSA-N 1 3 326.485 0.957 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359375101 438423103 /nfs/dbraw/zinc/42/31/03/438423103.db2.gz RCFNMGIRISYXRP-UYSNPLJNSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000359265171 438398235 /nfs/dbraw/zinc/39/82/35/438398235.db2.gz QRBGRZBNVMKZRV-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000359265171 438398237 /nfs/dbraw/zinc/39/82/37/438398237.db2.gz QRBGRZBNVMKZRV-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420326027 438399364 /nfs/dbraw/zinc/39/93/64/438399364.db2.gz JAHVDZOCHWPSIH-UAGQMJEPSA-N 1 3 336.480 0.387 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422230192 438534795 /nfs/dbraw/zinc/53/47/95/438534795.db2.gz CLDLQUTYXGDDKN-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000422495642 438580465 /nfs/dbraw/zinc/58/04/65/438580465.db2.gz SOESBJDNUVXJKZ-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000422495642 438580467 /nfs/dbraw/zinc/58/04/67/438580467.db2.gz SOESBJDNUVXJKZ-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)[C@@H](C)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000441465767 438586027 /nfs/dbraw/zinc/58/60/27/438586027.db2.gz QJQCNYZBGUBYDQ-QKPAOTATSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)[C@@H](C)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000441465767 438586029 /nfs/dbraw/zinc/58/60/29/438586029.db2.gz QJQCNYZBGUBYDQ-QKPAOTATSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H](C)CN1C(=O)[C@H]1CCCN1C ZINC000441465767 438586030 /nfs/dbraw/zinc/58/60/30/438586030.db2.gz QJQCNYZBGUBYDQ-QKPAOTATSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H](C)CN1C(=O)[C@H]1CCCN1C ZINC000441465767 438586032 /nfs/dbraw/zinc/58/60/32/438586032.db2.gz QJQCNYZBGUBYDQ-QKPAOTATSA-N 1 3 336.480 0.623 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000410471468 438588869 /nfs/dbraw/zinc/58/88/69/438588869.db2.gz QHMUSMONQWVNFY-OAGGEKHMSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000410471468 438588871 /nfs/dbraw/zinc/58/88/71/438588871.db2.gz QHMUSMONQWVNFY-OAGGEKHMSA-N 1 3 336.480 0.482 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422371720 438559975 /nfs/dbraw/zinc/55/99/75/438559975.db2.gz AAYCDWCEDCDFDU-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422371720 438559978 /nfs/dbraw/zinc/55/99/78/438559978.db2.gz AAYCDWCEDCDFDU-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000422841996 438611648 /nfs/dbraw/zinc/61/16/48/438611648.db2.gz DXBXVGCCZHHWGR-QZTJIDSGSA-N 1 3 347.507 0.950 20 0 ECADHO COC[C@H](CCC[NH3+])NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000422938057 438618626 /nfs/dbraw/zinc/61/86/26/438618626.db2.gz PDVFGALJLYJWRD-AWEZNQCLSA-N 1 3 329.466 0.617 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422975990 438623230 /nfs/dbraw/zinc/62/32/30/438623230.db2.gz CMCSSFSDVUPWLK-HNNXBMFYSA-N 1 3 336.480 0.722 20 0 ECADHO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)cc1S(N)(=O)=O ZINC000423018077 438628819 /nfs/dbraw/zinc/62/88/19/438628819.db2.gz QCCSDTDTQRWEBH-KBPBESRZSA-N 1 3 341.477 0.992 20 0 ECADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443064814 438638143 /nfs/dbraw/zinc/63/81/43/438638143.db2.gz YXYRFQBJZNQKMY-HOTGVXAUSA-N 1 3 346.479 0.575 20 0 ECADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](NCCN1CC[NH2+]CC1)CCC2 ZINC000423203437 438648686 /nfs/dbraw/zinc/64/86/86/438648686.db2.gz MSABKHXPLIKIDL-INIZCTEOSA-N 1 3 338.477 0.206 20 0 ECADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000423219233 438650385 /nfs/dbraw/zinc/65/03/85/438650385.db2.gz SYWCGTKGAAPMJT-GOSISDBHSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@H]1CC[NH2+][C@H](C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000423353896 438665323 /nfs/dbraw/zinc/66/53/23/438665323.db2.gz FFNFOPZIZIXZBO-YOEHRIQHSA-N 1 3 346.475 0.982 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000410881861 438666575 /nfs/dbraw/zinc/66/65/75/438666575.db2.gz CUJKWYYVVYIJFN-SFHVURJKSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000410881861 438666576 /nfs/dbraw/zinc/66/65/76/438666576.db2.gz CUJKWYYVVYIJFN-SFHVURJKSA-N 1 3 338.496 0.729 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423388230 438671597 /nfs/dbraw/zinc/67/15/97/438671597.db2.gz NIBTUHHJJXXAKT-HZPDHXFCSA-N 1 3 338.496 0.988 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423388230 438671600 /nfs/dbraw/zinc/67/16/00/438671600.db2.gz NIBTUHHJJXXAKT-HZPDHXFCSA-N 1 3 338.496 0.988 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)CC[NH3+])c1 ZINC000423478970 438680397 /nfs/dbraw/zinc/68/03/97/438680397.db2.gz NKSCUVBRSUTHPD-UHFFFAOYSA-N 1 3 336.436 0.003 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423498135 438680890 /nfs/dbraw/zinc/68/08/90/438680890.db2.gz GNJWLLQXCGBOJX-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414693510 438715472 /nfs/dbraw/zinc/71/54/72/438715472.db2.gz BXWQXAHWJOTAGG-UHFFFAOYSA-N 1 3 348.447 0.954 20 0 ECADHO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414693510 438715474 /nfs/dbraw/zinc/71/54/74/438715474.db2.gz BXWQXAHWJOTAGG-UHFFFAOYSA-N 1 3 348.447 0.954 20 0 ECADHO CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414703141 438715612 /nfs/dbraw/zinc/71/56/12/438715612.db2.gz XSLXKDGZLAYGAS-HZPDHXFCSA-N 1 3 338.496 0.812 20 0 ECADHO CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414703141 438715613 /nfs/dbraw/zinc/71/56/13/438715613.db2.gz XSLXKDGZLAYGAS-HZPDHXFCSA-N 1 3 338.496 0.812 20 0 ECADHO CNC(=O)c1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414989601 438724466 /nfs/dbraw/zinc/72/44/66/438724466.db2.gz QRPYCJWJKAPNOL-AWEZNQCLSA-N 1 3 344.381 0.972 20 0 ECADHO C[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000574928367 438729032 /nfs/dbraw/zinc/72/90/32/438729032.db2.gz SZZMJXZEPICZED-HOTGVXAUSA-N 1 3 345.447 0.072 20 0 ECADHO C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000574928367 438729035 /nfs/dbraw/zinc/72/90/35/438729035.db2.gz SZZMJXZEPICZED-HOTGVXAUSA-N 1 3 345.447 0.072 20 0 ECADHO CNC[C@@H](O)C[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496054071 438738252 /nfs/dbraw/zinc/73/82/52/438738252.db2.gz UQAHSNWYCLOIIC-CZUORRHYSA-N 1 3 331.457 0.308 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000575780102 438754909 /nfs/dbraw/zinc/75/49/09/438754909.db2.gz VVMODDSKZSACGT-RDJZCZTQSA-N 1 3 332.448 0.893 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000575780102 438754912 /nfs/dbraw/zinc/75/49/12/438754912.db2.gz VVMODDSKZSACGT-RDJZCZTQSA-N 1 3 332.448 0.893 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@@H](O)CNCCC[NH+]1CCCC1 ZINC000557185353 438795160 /nfs/dbraw/zinc/79/51/60/438795160.db2.gz QBYCIGXYGDBNBW-AWEZNQCLSA-N 1 3 331.416 0.719 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]CCCN1CCCC1 ZINC000557185353 438795165 /nfs/dbraw/zinc/79/51/65/438795165.db2.gz QBYCIGXYGDBNBW-AWEZNQCLSA-N 1 3 331.416 0.719 20 0 ECADHO COC[C@H](O)CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000576100898 438767819 /nfs/dbraw/zinc/76/78/19/438767819.db2.gz HYRCRNUOLJCTCN-IAGOWNOFSA-N 1 3 335.448 0.481 20 0 ECADHO COC[C@H](O)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000576100898 438767822 /nfs/dbraw/zinc/76/78/22/438767822.db2.gz HYRCRNUOLJCTCN-IAGOWNOFSA-N 1 3 335.448 0.481 20 0 ECADHO CC[C@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576308786 438777511 /nfs/dbraw/zinc/77/75/11/438777511.db2.gz CYBATQQQUUTWLK-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000576412530 438782477 /nfs/dbraw/zinc/78/24/77/438782477.db2.gz XFTPTXHHIJBYNW-ROUUACIJSA-N 1 3 346.475 0.933 20 0 ECADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000576412530 438782480 /nfs/dbraw/zinc/78/24/80/438782480.db2.gz XFTPTXHHIJBYNW-ROUUACIJSA-N 1 3 346.475 0.933 20 0 ECADHO CC1CCN(CCNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457680270 438818967 /nfs/dbraw/zinc/81/89/67/438818967.db2.gz BWOXQYVCGZKGGB-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO CC1CCN(CCNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000457680270 438818973 /nfs/dbraw/zinc/81/89/73/438818973.db2.gz BWOXQYVCGZKGGB-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCNC[C@H]1c1ccncc1 ZINC000514728537 438827505 /nfs/dbraw/zinc/82/75/05/438827505.db2.gz TUBBZCRKWMWHLX-BBRMVZONSA-N 1 3 326.404 0.668 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)C[C@H]2N)cn1 ZINC000514855333 438834756 /nfs/dbraw/zinc/83/47/56/438834756.db2.gz JYSNIWYILSBXOK-YQVWRLOYSA-N 1 3 339.443 0.605 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1CCO)C[NH+]1CCCC1 ZINC000457871164 438836098 /nfs/dbraw/zinc/83/60/98/438836098.db2.gz BKFXAHZYFNROQC-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CNCc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000564951623 438894751 /nfs/dbraw/zinc/89/47/51/438894751.db2.gz POBNPNIZOVZFQU-IXDOHACOSA-N 1 3 325.416 0.560 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000578185448 438902789 /nfs/dbraw/zinc/90/27/89/438902789.db2.gz FGKQVQQHCFZQTQ-JONQDZQNSA-N 1 3 334.464 0.140 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)C1 ZINC000577643807 438859173 /nfs/dbraw/zinc/85/91/73/438859173.db2.gz QLIOLKUFKURDJA-GOSISDBHSA-N 1 3 336.480 0.518 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000515387009 438866982 /nfs/dbraw/zinc/86/69/82/438866982.db2.gz WAUGBIGGSZOHOU-OSDKZWGASA-N 1 3 336.480 0.622 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595904617 438882246 /nfs/dbraw/zinc/88/22/46/438882246.db2.gz IUKZBFCRNGJMTH-HZSPNIEDSA-N 1 3 328.457 0.687 20 0 ECADHO COC(=O)CCN1CC[C@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1=O ZINC000595900925 438882889 /nfs/dbraw/zinc/88/28/89/438882889.db2.gz PFXVVDQLZRAKRH-CVEARBPZSA-N 1 3 337.464 0.862 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000564923168 438887516 /nfs/dbraw/zinc/88/75/16/438887516.db2.gz LMGQERUPXBWZLN-KGLIPLIRSA-N 1 3 335.452 0.309 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516091593 438890351 /nfs/dbraw/zinc/89/03/51/438890351.db2.gz NTPYYXZIAPVNSP-XIRDDKMYSA-N 1 3 344.459 0.491 20 0 ECADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000516490694 438909466 /nfs/dbraw/zinc/90/94/66/438909466.db2.gz VNSQPGSFHIJGRR-CQSZACIVSA-N 1 3 337.468 0.362 20 0 ECADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000516490694 438909470 /nfs/dbraw/zinc/90/94/70/438909470.db2.gz VNSQPGSFHIJGRR-CQSZACIVSA-N 1 3 337.468 0.362 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000578444966 438923784 /nfs/dbraw/zinc/92/37/84/438923784.db2.gz LWIUKSKHPDOYLJ-CQSZACIVSA-N 1 3 348.447 0.954 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CN1C1CC1 ZINC000516811989 438928429 /nfs/dbraw/zinc/92/84/29/438928429.db2.gz GTNZNZVLGRZJJV-YCPHGPKFSA-N 1 3 334.464 0.425 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000578767977 438951087 /nfs/dbraw/zinc/95/10/87/438951087.db2.gz JTJPROQANFGRRX-KFWWJZLASA-N 1 3 337.468 0.060 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000459322037 438958637 /nfs/dbraw/zinc/95/86/37/438958637.db2.gz SYLAAOWYOIBCGM-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000459322037 438958641 /nfs/dbraw/zinc/95/86/41/438958641.db2.gz SYLAAOWYOIBCGM-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000578985835 438969221 /nfs/dbraw/zinc/96/92/21/438969221.db2.gz ZSWQJBVHBZXDJR-IXDOHACOSA-N 1 3 343.475 0.789 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000566066976 439000304 /nfs/dbraw/zinc/00/03/04/439000304.db2.gz YBOQSTAPIQJXPD-MJBXVCDLSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000566066973 439001420 /nfs/dbraw/zinc/00/14/20/439001420.db2.gz YBOQSTAPIQJXPD-BFHYXJOUSA-N 1 3 325.457 0.060 20 0 ECADHO CC(C)N1CCC(N(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000579358516 439002044 /nfs/dbraw/zinc/00/20/44/439002044.db2.gz PDJNJVGNZYEPHR-AWEZNQCLSA-N 1 3 334.468 0.975 20 0 ECADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000519591750 439042427 /nfs/dbraw/zinc/04/24/27/439042427.db2.gz DEKWZRLTLSDZMU-UONOGXRCSA-N 1 3 333.436 0.920 20 0 ECADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C[C@H]3CSCCN3)CC2)C1 ZINC000519643617 439050599 /nfs/dbraw/zinc/05/05/99/439050599.db2.gz KENBMXULWCGCKE-ILXRZTDVSA-N 1 3 327.494 0.826 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCNC3=O)CC2)CC1 ZINC000518792317 439011252 /nfs/dbraw/zinc/01/12/52/439011252.db2.gz FXZSPGYLOFVTBU-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000459904328 439028638 /nfs/dbraw/zinc/02/86/38/439028638.db2.gz ZXPQSBRZOQDCEY-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000459904328 439028640 /nfs/dbraw/zinc/02/86/40/439028640.db2.gz ZXPQSBRZOQDCEY-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000459911753 439031105 /nfs/dbraw/zinc/03/11/05/439031105.db2.gz UQAFXBWEBVPREC-OAHLLOKOSA-N 1 3 326.485 0.443 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000459911753 439031108 /nfs/dbraw/zinc/03/11/08/439031108.db2.gz UQAFXBWEBVPREC-OAHLLOKOSA-N 1 3 326.485 0.443 20 0 ECADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000566245376 439031389 /nfs/dbraw/zinc/03/13/89/439031389.db2.gz OOZIBGNGSPLBTO-RDJZCZTQSA-N 1 3 338.475 0.170 20 0 ECADHO CCN1CC[C@H](N(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@@H]1C ZINC000566296405 439037515 /nfs/dbraw/zinc/03/75/15/439037515.db2.gz MJBKHSMAQDQCHO-KKUMJFAQSA-N 1 3 334.468 0.975 20 0 ECADHO CCN(C(=O)C(=O)NC1C[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000566787648 439089505 /nfs/dbraw/zinc/08/95/05/439089505.db2.gz YQFAHUMKQUUKAI-YOEHRIQHSA-N 1 3 344.459 0.758 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@]3(C[NH3+])CCCOC3)C2)CC1 ZINC000602480683 439096330 /nfs/dbraw/zinc/09/63/30/439096330.db2.gz IPKMULOJEZLWOU-SJLPKXTDSA-N 1 3 338.496 0.369 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC1 ZINC000602573588 439114223 /nfs/dbraw/zinc/11/42/23/439114223.db2.gz SGWAVAHNLGLOMV-AWEZNQCLSA-N 1 3 341.452 0.370 20 0 ECADHO CN1CCN(CCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000479298892 439114342 /nfs/dbraw/zinc/11/43/42/439114342.db2.gz WORQEJVTVAHQLD-KZNAEPCWSA-N 1 3 346.475 0.204 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000460084655 439078878 /nfs/dbraw/zinc/07/88/78/439078878.db2.gz VUGHMMLEKVFWDD-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000460084655 439078887 /nfs/dbraw/zinc/07/88/87/439078887.db2.gz VUGHMMLEKVFWDD-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CCOC(=O)CC[C@H](O)CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000566733464 439085468 /nfs/dbraw/zinc/08/54/68/439085468.db2.gz UFFGTTONALJPQI-ZBFHGGJFSA-N 1 3 328.453 0.781 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)NCCC[NH+](C)C)CC1 ZINC000597366891 439085481 /nfs/dbraw/zinc/08/54/81/439085481.db2.gz IOXMHBDNGMBVQE-UHFFFAOYSA-N 1 3 327.473 0.180 20 0 ECADHO CN1CCN(c2ncc(CNCc3ccc(C[NH3+])cc3)cn2)CC1 ZINC000581131621 439173277 /nfs/dbraw/zinc/17/32/77/439173277.db2.gz NBEMMKHVBBXPOP-UHFFFAOYSA-N 1 3 326.448 0.977 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000580887100 439141744 /nfs/dbraw/zinc/14/17/44/439141744.db2.gz AGXYAJJSSCEZNP-RKVPGOIHSA-N 1 3 334.464 0.284 20 0 ECADHO NC(=O)NC(=O)CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000581126718 439173681 /nfs/dbraw/zinc/17/36/81/439173681.db2.gz BSIUKLNKVBNGQU-UHFFFAOYSA-N 1 3 334.420 0.836 20 0 ECADHO CC(C)[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CCN1C ZINC000487643922 439158907 /nfs/dbraw/zinc/15/89/07/439158907.db2.gz XOFPREZUNRUGFK-QGZVFWFLSA-N 1 3 339.528 0.994 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000567639334 439159055 /nfs/dbraw/zinc/15/90/55/439159055.db2.gz HYYIFFQJRNLDHF-HNNXBMFYSA-N 1 3 342.484 0.001 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000581543199 439224206 /nfs/dbraw/zinc/22/42/06/439224206.db2.gz RPLRKFRVUVYIIQ-HRCADAONSA-N 1 3 334.468 0.731 20 0 ECADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000581543199 439224212 /nfs/dbraw/zinc/22/42/12/439224212.db2.gz RPLRKFRVUVYIIQ-HRCADAONSA-N 1 3 334.468 0.731 20 0 ECADHO COC(=O)C[C@H](C)N1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000592197723 439177202 /nfs/dbraw/zinc/17/72/02/439177202.db2.gz IGFWUPIVAJIOGB-QWHCGFSZSA-N 1 3 349.435 0.196 20 0 ECADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567926431 439198190 /nfs/dbraw/zinc/19/81/90/439198190.db2.gz ITFCIHFEHZTSDF-ATGSNQNLSA-N 1 3 337.468 0.107 20 0 ECADHO Cc1nn(C)c(N2CCOCC2)c1CNCC1(O)CC[NH+](C)CC1 ZINC000525402473 439210496 /nfs/dbraw/zinc/21/04/96/439210496.db2.gz MDDBGKWWEDZOST-UHFFFAOYSA-N 1 3 337.468 0.111 20 0 ECADHO COCCNCCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000568160898 439217573 /nfs/dbraw/zinc/21/75/73/439217573.db2.gz DENCSEOYTMXNJQ-LSDHHAIUSA-N 1 3 325.840 0.995 20 0 ECADHO CN1CCN(CCCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000568756763 439274212 /nfs/dbraw/zinc/27/42/12/439274212.db2.gz QACKPMMKBGRGJM-KRWDZBQOSA-N 1 3 348.495 0.565 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000528057468 439315055 /nfs/dbraw/zinc/31/50/55/439315055.db2.gz WOFIESBRDKLAMJ-UHFFFAOYSA-N 1 3 327.450 0.534 20 0 ECADHO CC[NH+]1CCC(NC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC1 ZINC000604633136 439322456 /nfs/dbraw/zinc/32/24/56/439322456.db2.gz UUMIDYPPPUFELP-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592960660 439324690 /nfs/dbraw/zinc/32/46/90/439324690.db2.gz BNOKDZSUBBYFKN-CABCVRRESA-N 1 3 348.495 0.475 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)C(=O)NCCN1CCCCC1 ZINC000582723902 439372334 /nfs/dbraw/zinc/37/23/34/439372334.db2.gz VVHIXQQAZSUHBM-HUUCEWRRSA-N 1 3 336.480 0.483 20 0 ECADHO COc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cc1S(N)(=O)=O ZINC000569988513 439380976 /nfs/dbraw/zinc/38/09/76/439380976.db2.gz QYNLWGVHMPGRBH-STQMWFEESA-N 1 3 327.450 0.745 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000571073258 439472819 /nfs/dbraw/zinc/47/28/19/439472819.db2.gz NLLIQXMENMKPEY-OWCLPIDISA-N 1 3 334.464 0.141 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000608008239 439483012 /nfs/dbraw/zinc/48/30/12/439483012.db2.gz TZQDHDLTAUMJPT-OAHLLOKOSA-N 1 3 345.447 0.140 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000571420179 439503024 /nfs/dbraw/zinc/50/30/24/439503024.db2.gz FWQNHPWAUMXABA-SJORKVTESA-N 1 3 332.448 0.796 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000571420179 439503028 /nfs/dbraw/zinc/50/30/28/439503028.db2.gz FWQNHPWAUMXABA-SJORKVTESA-N 1 3 332.448 0.796 20 0 ECADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C(=O)NC1C[NH2+]C1 ZINC000572467383 439585798 /nfs/dbraw/zinc/58/57/98/439585798.db2.gz JCISYCGFFRDDDZ-GFCCVEGCSA-N 1 3 336.461 0.164 20 0 ECADHO O=C1NCC[C@@]12CCCN2CCCCC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000573217764 439635071 /nfs/dbraw/zinc/63/50/71/439635071.db2.gz PRHYJCRXDVPYQB-OALUTQOASA-N 1 3 348.491 0.866 20 0 ECADHO O=C1NCC[C@@]12CCCN2CCCCC[N@H+]1CCC[C@@]12CCNC2=O ZINC000573217764 439635076 /nfs/dbraw/zinc/63/50/76/439635076.db2.gz PRHYJCRXDVPYQB-OALUTQOASA-N 1 3 348.491 0.866 20 0 ECADHO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCN3Cc3ccccc3)CCN2C1=O ZINC000594881768 439638665 /nfs/dbraw/zinc/63/86/65/439638665.db2.gz JOYRAKOCYKIASP-BRWVUGGUSA-N 1 3 342.443 0.421 20 0 ECADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C)C[C@H]1CN ZINC000573346257 439641616 /nfs/dbraw/zinc/64/16/16/439641616.db2.gz FSTFMTQJHHCJEV-JKSUJKDBSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000574340414 439698892 /nfs/dbraw/zinc/69/88/92/439698892.db2.gz DPXBZHAJUPFVRD-GDBMZVCRSA-N 1 3 332.448 0.225 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000574385905 439701440 /nfs/dbraw/zinc/70/14/40/439701440.db2.gz KVMBVFUVGDZLTK-OXGONZEZSA-N 1 3 334.464 0.186 20 0 ECADHO C[C@@H]1C[C@H](NC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC[N@@H+]1C ZINC000574512726 439710036 /nfs/dbraw/zinc/71/00/36/439710036.db2.gz UWEOVNVZRIPHJA-FVQBIDKESA-N 1 3 346.431 0.937 20 0 ECADHO C[C@@H]1C[C@H](NC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC[N@H+]1C ZINC000574512726 439710041 /nfs/dbraw/zinc/71/00/41/439710041.db2.gz UWEOVNVZRIPHJA-FVQBIDKESA-N 1 3 346.431 0.937 20 0 ECADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1cscn1 ZINC000612136977 439677645 /nfs/dbraw/zinc/67/76/45/439677645.db2.gz DZCWXWVPTXOOGO-LBPRGKRZSA-N 1 3 341.481 0.272 20 0 ECADHO [NH3+]C/C=C\CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923479 439746238 /nfs/dbraw/zinc/74/62/38/439746238.db2.gz CKJICSPBEQPHSI-DDGIKZQJSA-N 1 3 347.467 0.223 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612965509 439747704 /nfs/dbraw/zinc/74/77/04/439747704.db2.gz YZKDJPRQSXGXQX-MRXNPFEDSA-N 1 3 337.512 0.845 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000612550994 439729180 /nfs/dbraw/zinc/72/91/80/439729180.db2.gz KPJNPGNGKXZAIV-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000612550993 439729226 /nfs/dbraw/zinc/72/92/26/439729226.db2.gz KPJNPGNGKXZAIV-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@]3(C2)CCCN(C)C3)C1=O ZINC000595505287 439735687 /nfs/dbraw/zinc/73/56/87/439735687.db2.gz PQLCRSWECMVNDE-MAUKXSAKSA-N 1 3 337.464 0.958 20 0 ECADHO COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@]3(C2)CCCN(C)C3)C1=O ZINC000595505287 439735690 /nfs/dbraw/zinc/73/56/90/439735690.db2.gz PQLCRSWECMVNDE-MAUKXSAKSA-N 1 3 337.464 0.958 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612915281 439746025 /nfs/dbraw/zinc/74/60/25/439746025.db2.gz QSOMLYYBXBSZNB-KBPBESRZSA-N 1 3 347.467 0.070 20 0 ECADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000614847435 439788516 /nfs/dbraw/zinc/78/85/16/439788516.db2.gz LJKDCPJEKOCUSH-QJPTWQEYSA-N 1 3 339.402 0.934 20 0 ECADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000614847435 439788517 /nfs/dbraw/zinc/78/85/17/439788517.db2.gz LJKDCPJEKOCUSH-QJPTWQEYSA-N 1 3 339.402 0.934 20 0 ECADHO CCN1CCN(CCC(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000615261513 439797486 /nfs/dbraw/zinc/79/74/86/439797486.db2.gz DDLKOIMUUNNDIF-IAGOWNOFSA-N 1 3 338.496 0.336 20 0 ECADHO CCN1CCN(CCC(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000615261513 439797487 /nfs/dbraw/zinc/79/74/87/439797487.db2.gz DDLKOIMUUNNDIF-IAGOWNOFSA-N 1 3 338.496 0.336 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1(C)C ZINC000646675476 439861143 /nfs/dbraw/zinc/86/11/43/439861143.db2.gz AVCBTZKDQCHABR-RDTXWAMCSA-N 1 3 347.463 0.962 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000662743486 439867941 /nfs/dbraw/zinc/86/79/41/439867941.db2.gz NTVMJRFUBCVJSS-KRWDZBQOSA-N 1 3 346.475 0.836 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636441382 439878677 /nfs/dbraw/zinc/87/86/77/439878677.db2.gz FESIHSJEOUQCBI-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCO[C@H]1C[C@@](N)(C(=O)NCCN(C)CCC[NH+](C)C)C1(C)C ZINC000662632171 439829486 /nfs/dbraw/zinc/82/94/86/439829486.db2.gz NPFJYXXGRDXKQU-WMLDXEAASA-N 1 3 328.501 0.519 20 0 ECADHO C[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000662658995 439838600 /nfs/dbraw/zinc/83/86/00/439838600.db2.gz HIELZGOMDOLGCP-WMLDXEAASA-N 1 3 334.464 0.801 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662687429 439846611 /nfs/dbraw/zinc/84/66/11/439846611.db2.gz XXZVYZGWTHJHTM-HUUCEWRRSA-N 1 3 332.404 0.154 20 0 ECADHO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652700928 439929193 /nfs/dbraw/zinc/92/91/93/439929193.db2.gz WVAGBGJOMXUCJC-KBPBESRZSA-N 1 3 340.468 0.160 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@@H]2CCc3ncnn32)C1)[C@@H]1CCC[NH2+]1 ZINC000631822401 439932199 /nfs/dbraw/zinc/93/21/99/439932199.db2.gz BJRMWDUNZFSKJU-KKUMJFAQSA-N 1 3 332.452 0.346 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000652704001 439933425 /nfs/dbraw/zinc/93/34/25/439933425.db2.gz DEEASZCWZIYADS-HRCADAONSA-N 1 3 336.480 0.435 20 0 ECADHO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCCNC4)C[C@H]2C1 ZINC000626821258 439896048 /nfs/dbraw/zinc/89/60/48/439896048.db2.gz APIBZMHJNONYJG-OKILXGFUSA-N 1 3 344.415 0.127 20 0 ECADHO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCCNC4)C[C@H]2C1 ZINC000626821258 439896055 /nfs/dbraw/zinc/89/60/55/439896055.db2.gz APIBZMHJNONYJG-OKILXGFUSA-N 1 3 344.415 0.127 20 0 ECADHO CCCN1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000617502540 439899486 /nfs/dbraw/zinc/89/94/86/439899486.db2.gz SZKIBZDTFLDBPL-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000617502540 439899492 /nfs/dbraw/zinc/89/94/92/439899492.db2.gz SZKIBZDTFLDBPL-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)nnn2C ZINC000617505790 439899517 /nfs/dbraw/zinc/89/95/17/439899517.db2.gz QDIGNGHYZJDSAX-ZDUSSCGKSA-N 1 3 332.452 0.970 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)nnn2C ZINC000617505790 439899523 /nfs/dbraw/zinc/89/95/23/439899523.db2.gz QDIGNGHYZJDSAX-ZDUSSCGKSA-N 1 3 332.452 0.970 20 0 ECADHO CNC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000617505422 439900190 /nfs/dbraw/zinc/90/01/90/439900190.db2.gz BQVOBEZFWQJYSD-ZDUSSCGKSA-N 1 3 335.452 0.443 20 0 ECADHO CNC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000617505422 439900197 /nfs/dbraw/zinc/90/01/97/439900197.db2.gz BQVOBEZFWQJYSD-ZDUSSCGKSA-N 1 3 335.452 0.443 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1ccccc1 ZINC000617503391 439900332 /nfs/dbraw/zinc/90/03/32/439900332.db2.gz HGKHAJLSPDXYOA-HNNXBMFYSA-N 1 3 334.464 0.805 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1ccccc1 ZINC000617503391 439900339 /nfs/dbraw/zinc/90/03/39/439900339.db2.gz HGKHAJLSPDXYOA-HNNXBMFYSA-N 1 3 334.464 0.805 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626839270 439907268 /nfs/dbraw/zinc/90/72/68/439907268.db2.gz FPWPSURCFCLIFA-OAHLLOKOSA-N 1 3 346.431 0.660 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000652679771 439914525 /nfs/dbraw/zinc/91/45/25/439914525.db2.gz MUYCOPBOPZRWGF-UHFFFAOYSA-N 1 3 332.448 0.623 20 0 ECADHO CC1(OCC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CNC1 ZINC000662860682 439915730 /nfs/dbraw/zinc/91/57/30/439915730.db2.gz UCDUOIMUDCVURT-INIZCTEOSA-N 1 3 333.432 0.248 20 0 ECADHO CC1(OCC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CNC1 ZINC000662860682 439915736 /nfs/dbraw/zinc/91/57/36/439915736.db2.gz UCDUOIMUDCVURT-INIZCTEOSA-N 1 3 333.432 0.248 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000658407542 439916998 /nfs/dbraw/zinc/91/69/98/439916998.db2.gz VCYLHWCFIIFZQJ-UHFFFAOYSA-N 1 3 341.481 0.092 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642330460 439972004 /nfs/dbraw/zinc/97/20/04/439972004.db2.gz LOXCVAYEBUTOGJ-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000626964008 439973962 /nfs/dbraw/zinc/97/39/62/439973962.db2.gz HGLZPUUPRIWMRN-RRFJBIMHSA-N 1 3 339.484 0.369 20 0 ECADHO C[NH2+]CCOCCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000626971274 439975037 /nfs/dbraw/zinc/97/50/37/439975037.db2.gz CLTROHLHKVATHR-UHFFFAOYSA-N 1 3 330.473 0.411 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000658526652 439978470 /nfs/dbraw/zinc/97/84/70/439978470.db2.gz OLXOWHWLLUDKEP-MRXNPFEDSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000631916870 439978741 /nfs/dbraw/zinc/97/87/41/439978741.db2.gz BMJBFTDEAOWCDW-INIZCTEOSA-N 1 3 344.525 0.865 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000626986318 439980867 /nfs/dbraw/zinc/98/08/67/439980867.db2.gz FYPFQXTVPAQGGC-HNNXBMFYSA-N 1 3 341.500 0.067 20 0 ECADHO CN(C)C1(CNC(=O)NC2(C[NH3+])CCOCC2)Cc2ccccc2C1 ZINC000626985484 439980999 /nfs/dbraw/zinc/98/09/99/439980999.db2.gz WCHAFQYRSPHXFI-UHFFFAOYSA-N 1 3 346.475 0.893 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000642439458 439981459 /nfs/dbraw/zinc/98/14/59/439981459.db2.gz HPCMLOTZCQJUSY-HOTGVXAUSA-N 1 3 332.448 0.793 20 0 ECADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1CNC1 ZINC000642424988 439982037 /nfs/dbraw/zinc/98/20/37/439982037.db2.gz DPBLAVZSPMULTR-UHFFFAOYSA-N 1 3 330.432 0.103 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCCC[C@@H]2CC)CC[C@H]1[NH3+] ZINC000642431160 439982137 /nfs/dbraw/zinc/98/21/37/439982137.db2.gz HLFWYYULETXOMI-OWCLPIDISA-N 1 3 338.496 0.953 20 0 ECADHO CN(C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000641999472 439940004 /nfs/dbraw/zinc/94/00/04/439940004.db2.gz MURKKXSYMHOETL-MSOLQXFVSA-N 1 3 345.491 0.806 20 0 ECADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000652725618 439947250 /nfs/dbraw/zinc/94/72/50/439947250.db2.gz OBAAOGUJAPRYBE-UHFFFAOYSA-N 1 3 345.447 0.236 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642104411 439948561 /nfs/dbraw/zinc/94/85/61/439948561.db2.gz HUAVPWCLFBMSHX-INIZCTEOSA-N 1 3 346.475 0.615 20 0 ECADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)ccc1OCCN(C)C ZINC000626914208 439957422 /nfs/dbraw/zinc/95/74/22/439957422.db2.gz LCFQKGXUGTYOPY-CQSZACIVSA-N 1 3 334.420 0.352 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000642262603 439964016 /nfs/dbraw/zinc/96/40/16/439964016.db2.gz KJWXIZOJXQNLMM-DOTOQJQBSA-N 1 3 346.475 0.881 20 0 ECADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015761 439988904 /nfs/dbraw/zinc/98/89/04/439988904.db2.gz YIWGUFMCIQQVJG-VBQJREDUSA-N 1 3 348.495 0.899 20 0 ECADHO [NH3+]C1(CC(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC1 ZINC000663014940 439989358 /nfs/dbraw/zinc/98/93/58/439989358.db2.gz JAIFRZSZDZHJCP-CQSZACIVSA-N 1 3 346.479 0.797 20 0 ECADHO CC(C)[C@@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015120 439989453 /nfs/dbraw/zinc/98/94/53/439989453.db2.gz QRUWLHPCEDHDSQ-XJKSGUPXSA-N 1 3 334.468 0.509 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000647180232 440014497 /nfs/dbraw/zinc/01/44/97/440014497.db2.gz OHTWFBJOZIQASD-ZDUSSCGKSA-N 1 3 329.470 0.173 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000642785882 440037173 /nfs/dbraw/zinc/03/71/73/440037173.db2.gz OUAVSXNOMRRLGT-DLBZAZTESA-N 1 3 348.491 0.578 20 0 ECADHO [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000663016609 439988282 /nfs/dbraw/zinc/98/82/82/439988282.db2.gz HACKXQVIZPBWSK-MELADBBJSA-N 1 3 332.452 0.263 20 0 ECADHO CN(Cc1ccccc1)C[C@H](O)CNC[C@H](O)C[NH+]1CCCCC1 ZINC000647517947 440062234 /nfs/dbraw/zinc/06/22/34/440062234.db2.gz WGPMACCPYVSCHK-MOPGFXCFSA-N 1 3 335.492 0.916 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000636873100 440078288 /nfs/dbraw/zinc/07/82/88/440078288.db2.gz JVTOIWIXJIEYBM-OAHLLOKOSA-N 1 3 339.484 0.324 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000643013409 440081986 /nfs/dbraw/zinc/08/19/86/440081986.db2.gz NNELXXUTUOMSNT-IRJKRNAASA-N 1 3 348.491 0.419 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000643014598 440082655 /nfs/dbraw/zinc/08/26/55/440082655.db2.gz IVSGKYPJBPVJNO-VQHPVUNQSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653156372 440085246 /nfs/dbraw/zinc/08/52/46/440085246.db2.gz ZJTGAZJTOLMHHC-ALKREAHSSA-N 1 3 344.459 0.959 20 0 ECADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663510691 440090346 /nfs/dbraw/zinc/09/03/46/440090346.db2.gz HDROEUTXBVZUOE-RKVPGOIHSA-N 1 3 330.480 0.608 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642809758 440048294 /nfs/dbraw/zinc/04/82/94/440048294.db2.gz MDFNPYBRJIWNQN-IZGVIRRGSA-N 1 3 336.480 0.622 20 0 ECADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642900722 440051863 /nfs/dbraw/zinc/05/18/63/440051863.db2.gz QLAHPCPJBSPDDC-YKUJZXIWSA-N 1 3 334.464 0.471 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642901995 440052039 /nfs/dbraw/zinc/05/20/39/440052039.db2.gz HXMQWFMVXNDEBY-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CN(CC(=O)N1CCNCC1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000647486079 440052066 /nfs/dbraw/zinc/05/20/66/440052066.db2.gz HLYPTABTANPCMM-UHFFFAOYSA-N 1 3 334.464 0.491 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000647489656 440053403 /nfs/dbraw/zinc/05/34/03/440053403.db2.gz VFUGWUMAKOZMLC-MRXNPFEDSA-N 1 3 344.459 0.866 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC1CCN(C3CC3)CC1)C2 ZINC000627322738 440120380 /nfs/dbraw/zinc/12/03/80/440120380.db2.gz DDCSRLULFJPUTJ-HDICACEKSA-N 1 3 334.464 0.187 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000618551028 440131866 /nfs/dbraw/zinc/13/18/66/440131866.db2.gz NHSSZUSBWMHCPR-HOTGVXAUSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000618551028 440131874 /nfs/dbraw/zinc/13/18/74/440131874.db2.gz NHSSZUSBWMHCPR-HOTGVXAUSA-N 1 3 325.501 0.652 20 0 ECADHO CC1CC[NH+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000663631235 440133226 /nfs/dbraw/zinc/13/32/26/440133226.db2.gz VHFIFNVXYZBDEL-UHFFFAOYSA-N 1 3 341.500 0.380 20 0 ECADHO C[NH+](C)C1CCC(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000643394363 440136993 /nfs/dbraw/zinc/13/69/93/440136993.db2.gz CIGHGDOJLBKKJC-PCKAHOCUSA-N 1 3 336.480 0.576 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000653373679 440138628 /nfs/dbraw/zinc/13/86/28/440138628.db2.gz QPACEXBVNFUJSP-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000653373679 440138633 /nfs/dbraw/zinc/13/86/33/440138633.db2.gz QPACEXBVNFUJSP-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1)[C@@H]1CCN(CC)C1 ZINC000658826351 440143058 /nfs/dbraw/zinc/14/30/58/440143058.db2.gz PFEUTZPQQOLYJR-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1)[C@@H]1CCN(CC)C1 ZINC000658826351 440143064 /nfs/dbraw/zinc/14/30/64/440143064.db2.gz PFEUTZPQQOLYJR-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663656616 440143878 /nfs/dbraw/zinc/14/38/78/440143878.db2.gz VXEAUBJTZMLKIR-JYJNAYRXSA-N 1 3 326.485 0.815 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663656616 440143885 /nfs/dbraw/zinc/14/38/85/440143885.db2.gz VXEAUBJTZMLKIR-JYJNAYRXSA-N 1 3 326.485 0.815 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000627287101 440097392 /nfs/dbraw/zinc/09/73/92/440097392.db2.gz KFCFZRVFPULOBM-LJQANCHMSA-N 1 3 346.475 0.965 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000627291115 440099356 /nfs/dbraw/zinc/09/93/56/440099356.db2.gz KSYDQQMNARGKRQ-UHFFFAOYSA-N 1 3 342.484 0.062 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[NH2+]1 ZINC000627292961 440101500 /nfs/dbraw/zinc/10/15/00/440101500.db2.gz IETWWDPSCCKOFE-DJIMGWMZSA-N 1 3 346.475 0.532 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CCO1 ZINC000647865370 440174277 /nfs/dbraw/zinc/17/42/77/440174277.db2.gz HNXXZTDYHUONTG-XIRDDKMYSA-N 1 3 334.464 0.454 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663829717 440181274 /nfs/dbraw/zinc/18/12/74/440181274.db2.gz JXMCETCVXCCUJZ-CQSZACIVSA-N 1 3 329.489 0.378 20 0 ECADHO Cn1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1=O ZINC000647905735 440189228 /nfs/dbraw/zinc/18/92/28/440189228.db2.gz IMSNEJBKCWIUDV-HZPDHXFCSA-N 1 3 332.448 0.466 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643503540 440190844 /nfs/dbraw/zinc/19/08/44/440190844.db2.gz SKSFIPKRSRGGLJ-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000643516709 440195291 /nfs/dbraw/zinc/19/52/91/440195291.db2.gz MLAAMBAKUSUGPK-HYVNUMGLSA-N 1 3 348.491 0.530 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000627423722 440195937 /nfs/dbraw/zinc/19/59/37/440195937.db2.gz UZHBAFPUFPQJEU-UHFFFAOYSA-N 1 3 326.485 0.955 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000627423722 440195943 /nfs/dbraw/zinc/19/59/43/440195943.db2.gz UZHBAFPUFPQJEU-UHFFFAOYSA-N 1 3 326.485 0.955 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000632382156 440200158 /nfs/dbraw/zinc/20/01/58/440200158.db2.gz DWHRZBSQTUSSCH-UHFFFAOYSA-N 1 3 343.497 0.244 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000627358079 440149955 /nfs/dbraw/zinc/14/99/55/440149955.db2.gz ABNJIOBBZYXXBA-INIZCTEOSA-N 1 3 332.448 0.747 20 0 ECADHO CC[N@H+](CCO)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659037397 440212163 /nfs/dbraw/zinc/21/21/63/440212163.db2.gz IHJXSUISBYBYQZ-MRXNPFEDSA-N 1 3 336.436 0.783 20 0 ECADHO CC[N@@H+](CCO)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659037397 440212168 /nfs/dbraw/zinc/21/21/68/440212168.db2.gz IHJXSUISBYBYQZ-MRXNPFEDSA-N 1 3 336.436 0.783 20 0 ECADHO O=C(C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000643593785 440217253 /nfs/dbraw/zinc/21/72/53/440217253.db2.gz QPDLFJQRGDNTQV-GVDBMIGSSA-N 1 3 348.491 0.674 20 0 ECADHO COCC[N@H+](C)C[C@@H](O)CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000653624089 440218981 /nfs/dbraw/zinc/21/89/81/440218981.db2.gz XFRNDFBERALDBN-KDOFPFPSSA-N 1 3 333.432 0.521 20 0 ECADHO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000653624089 440218984 /nfs/dbraw/zinc/21/89/84/440218984.db2.gz XFRNDFBERALDBN-KDOFPFPSSA-N 1 3 333.432 0.521 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@H](O)C(F)(F)F ZINC000637265902 440221604 /nfs/dbraw/zinc/22/16/04/440221604.db2.gz SSCJGFYZVKLCGV-SRVKXCTJSA-N 1 3 342.406 0.869 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@H](O)C(F)(F)F ZINC000637265902 440221609 /nfs/dbraw/zinc/22/16/09/440221609.db2.gz SSCJGFYZVKLCGV-SRVKXCTJSA-N 1 3 342.406 0.869 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+](C)C ZINC000659073048 440225748 /nfs/dbraw/zinc/22/57/48/440225748.db2.gz ANNQFTNNSZZEEG-WFASDCNBSA-N 1 3 334.420 0.352 20 0 ECADHO C[NH+](C)CCCS(=O)(=O)N1CCC(N2CCCOCC2)CC1 ZINC000632451266 440226252 /nfs/dbraw/zinc/22/62/52/440226252.db2.gz GYIAFATTYLUXAR-UHFFFAOYSA-N 1 3 333.498 0.455 20 0 ECADHO O=C(NCCN1CCCC1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659081254 440233967 /nfs/dbraw/zinc/23/39/67/440233967.db2.gz VNIOQMGLCMJRQC-INIZCTEOSA-N 1 3 346.431 0.498 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2)[NH+](C)C ZINC000659094991 440243083 /nfs/dbraw/zinc/24/30/83/440243083.db2.gz VAUVDQNURGZUJD-NSHDSACASA-N 1 3 336.411 0.866 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)c2)CC1 ZINC000659114530 440261416 /nfs/dbraw/zinc/26/14/16/440261416.db2.gz XKKCGSHMLCJIIH-AWEZNQCLSA-N 1 3 347.463 0.491 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664406530 440305320 /nfs/dbraw/zinc/30/53/20/440305320.db2.gz SXTGHXWMYFCERR-GDBMZVCRSA-N 1 3 325.501 0.652 20 0 ECADHO CCC(=O)N1CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000664447183 440309683 /nfs/dbraw/zinc/30/96/83/440309683.db2.gz ITFXBFFVXVKHOI-GJZGRUSLSA-N 1 3 341.500 0.569 20 0 ECADHO CCC(=O)N1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000664447183 440309688 /nfs/dbraw/zinc/30/96/88/440309688.db2.gz ITFXBFFVXVKHOI-GJZGRUSLSA-N 1 3 341.500 0.569 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664499397 440320585 /nfs/dbraw/zinc/32/05/85/440320585.db2.gz XDPHGJGAMXWNBT-PMPSAXMXSA-N 1 3 326.485 0.671 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664499397 440320589 /nfs/dbraw/zinc/32/05/89/440320589.db2.gz XDPHGJGAMXWNBT-PMPSAXMXSA-N 1 3 326.485 0.671 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC3CC2(C[NH3+])C3)ccn1 ZINC000659476483 440339520 /nfs/dbraw/zinc/33/95/20/440339520.db2.gz WLGAWDWFNISODA-UHFFFAOYSA-N 1 3 333.436 0.655 20 0 ECADHO CC(C)(CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C[NH+]1CCCC1 ZINC000659484999 440342003 /nfs/dbraw/zinc/34/20/03/440342003.db2.gz DRUIDQHCBOWCAH-UHFFFAOYSA-N 1 3 336.440 0.562 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000659490340 440342300 /nfs/dbraw/zinc/34/23/00/440342300.db2.gz UCYJASJBLBKLHI-UHFFFAOYSA-N 1 3 334.424 0.457 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000659515519 440353571 /nfs/dbraw/zinc/35/35/71/440353571.db2.gz KGWYIQHUMRQINI-DLBZAZTESA-N 1 3 332.448 0.804 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ncnn1C ZINC000664738009 440365616 /nfs/dbraw/zinc/36/56/16/440365616.db2.gz QRWKLFPECMMUON-QWHCGFSZSA-N 1 3 325.461 0.447 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ncnn1C ZINC000664738009 440365619 /nfs/dbraw/zinc/36/56/19/440365619.db2.gz QRWKLFPECMMUON-QWHCGFSZSA-N 1 3 325.461 0.447 20 0 ECADHO CN1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](CN)C1 ZINC000659589340 440369162 /nfs/dbraw/zinc/36/91/62/440369162.db2.gz OIQAABUGANUFMP-BRWVUGGUSA-N 1 3 349.454 0.556 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659441302 440324507 /nfs/dbraw/zinc/32/45/07/440324507.db2.gz DJCURGJVAIBOQJ-RYUDHWBXSA-N 1 3 336.440 0.561 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659441302 440324510 /nfs/dbraw/zinc/32/45/10/440324510.db2.gz DJCURGJVAIBOQJ-RYUDHWBXSA-N 1 3 336.440 0.561 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c(OCCN(C)C)c1 ZINC000633040305 440418833 /nfs/dbraw/zinc/41/88/33/440418833.db2.gz WMJXBDPQQFRPIE-KBPBESRZSA-N 1 3 348.447 0.822 20 0 ECADHO CN1CCC[C@H]1CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638075168 440427382 /nfs/dbraw/zinc/42/73/82/440427382.db2.gz CNCMMDOZKJMQTD-UWVGGRQHSA-N 1 3 328.367 0.574 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630470 440381708 /nfs/dbraw/zinc/38/17/08/440381708.db2.gz JEFQOVDWFLYWHJ-WCQYABFASA-N 1 3 334.424 0.267 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630470 440381711 /nfs/dbraw/zinc/38/17/11/440381711.db2.gz JEFQOVDWFLYWHJ-WCQYABFASA-N 1 3 334.424 0.267 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000659646930 440392068 /nfs/dbraw/zinc/39/20/68/440392068.db2.gz KAYHKYYQSRDCQN-UAGQMJEPSA-N 1 3 334.464 0.777 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000659646931 440392366 /nfs/dbraw/zinc/39/23/66/440392366.db2.gz KAYHKYYQSRDCQN-USXIJHARSA-N 1 3 334.464 0.777 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)Cc1ccccc1 ZINC000659674183 440410955 /nfs/dbraw/zinc/41/09/55/440410955.db2.gz LFEMBARTFTZLTJ-KOHRHEQBSA-N 1 3 344.459 0.225 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638050193 440411116 /nfs/dbraw/zinc/41/11/16/440411116.db2.gz SRDYHGLPLDMQGU-MNOVXSKESA-N 1 3 342.394 0.964 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000659675450 440411337 /nfs/dbraw/zinc/41/13/37/440411337.db2.gz UZIQACXIIDUHMZ-IAGOWNOFSA-N 1 3 348.491 0.765 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH2+]C)C1 ZINC000659729608 440467906 /nfs/dbraw/zinc/46/79/06/440467906.db2.gz TWNVRRZTFCYFHS-MRXNPFEDSA-N 1 3 332.448 0.623 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC3CCC(C[NH+](C)C)CC3)C[C@H]2N)cn1 ZINC000644197821 440469042 /nfs/dbraw/zinc/46/90/42/440469042.db2.gz QQEXOWQXLSLUMF-MHVXSEJMSA-N 1 3 348.495 0.977 20 0 ECADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CNCCC1(F)F ZINC000649336642 440473416 /nfs/dbraw/zinc/47/34/16/440473416.db2.gz KMTNDRSHIJRNFN-TZMCWYRMSA-N 1 3 331.407 0.848 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659736323 440473763 /nfs/dbraw/zinc/47/37/63/440473763.db2.gz MQBDKGOODKLZJG-KXBFYZLASA-N 1 3 348.491 0.722 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659736317 440473976 /nfs/dbraw/zinc/47/39/76/440473976.db2.gz MQBDKGOODKLZJG-DNVCBOLYSA-N 1 3 348.491 0.722 20 0 ECADHO CN(C)C[C@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)c2ccccc2O1 ZINC000649347299 440478236 /nfs/dbraw/zinc/47/82/36/440478236.db2.gz PBOJVHMCRMUOGR-ZDUSSCGKSA-N 1 3 344.419 0.596 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000659699268 440431009 /nfs/dbraw/zinc/43/10/09/440431009.db2.gz UZZRUEXZTWHNMK-AWEZNQCLSA-N 1 3 332.448 0.275 20 0 ECADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000633091805 440438096 /nfs/dbraw/zinc/43/80/96/440438096.db2.gz YCAMWUOXWPVABK-CVEARBPZSA-N 1 3 336.480 0.803 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000638110170 440444836 /nfs/dbraw/zinc/44/48/36/440444836.db2.gz BSKFJTRKFZRNBF-QGZVFWFLSA-N 1 3 348.491 0.673 20 0 ECADHO COC[C@@]1(C(=O)NCCN2CCC([NH+](C)C)CC2)CCCCN1 ZINC000638129326 440453270 /nfs/dbraw/zinc/45/32/70/440453270.db2.gz ZQYWVDRYLFLKRF-QGZVFWFLSA-N 1 3 326.485 0.287 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2(N)Cc3ccccc3C2)C1 ZINC000649313284 440455991 /nfs/dbraw/zinc/45/59/91/440455991.db2.gz XZDBYZBLAQKFRR-INIZCTEOSA-N 1 3 344.459 0.186 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2(N)Cc3ccccc3C2)C1 ZINC000649313284 440455996 /nfs/dbraw/zinc/45/59/96/440455996.db2.gz XZDBYZBLAQKFRR-INIZCTEOSA-N 1 3 344.459 0.186 20 0 ECADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649320218 440459571 /nfs/dbraw/zinc/45/95/71/440459571.db2.gz PJLBXCQFRRCVSY-PIIMJCKOSA-N 1 3 329.444 0.725 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N(CC)CC ZINC000649364515 440487268 /nfs/dbraw/zinc/48/72/68/440487268.db2.gz YZDRWGPWJVNBAG-VYDXJSESSA-N 1 3 338.496 0.870 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000659749564 440488506 /nfs/dbraw/zinc/48/85/06/440488506.db2.gz ILIBFSUGGODLET-GOEBONIOSA-N 1 3 332.448 0.443 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)nn1 ZINC000638339003 440515986 /nfs/dbraw/zinc/51/59/86/440515986.db2.gz BZZFXFWPCRLBOY-HNNXBMFYSA-N 1 3 332.452 0.776 20 0 ECADHO CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665757256 440522252 /nfs/dbraw/zinc/52/22/52/440522252.db2.gz DFBSCOAKPIXHFG-LSDHHAIUSA-N 1 3 341.500 0.424 20 0 ECADHO CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665757256 440522262 /nfs/dbraw/zinc/52/22/62/440522262.db2.gz DFBSCOAKPIXHFG-LSDHHAIUSA-N 1 3 341.500 0.424 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000665761535 440525015 /nfs/dbraw/zinc/52/50/15/440525015.db2.gz GZFHOYBROGYNGU-QWHCGFSZSA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000665761535 440525020 /nfs/dbraw/zinc/52/50/20/440525020.db2.gz GZFHOYBROGYNGU-QWHCGFSZSA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)C1CCOCC1 ZINC000665761150 440525452 /nfs/dbraw/zinc/52/54/52/440525452.db2.gz YSMGQSKERYRXCC-GOEBONIOSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)C1CCOCC1 ZINC000665761150 440525458 /nfs/dbraw/zinc/52/54/58/440525458.db2.gz YSMGQSKERYRXCC-GOEBONIOSA-N 1 3 344.500 0.345 20 0 ECADHO COC[C@@]1(CO)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763435 440527076 /nfs/dbraw/zinc/52/70/76/440527076.db2.gz ALJQKMQJIOIRRI-RDJZCZTQSA-N 1 3 344.500 0.299 20 0 ECADHO COC[C@@]1(CO)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763435 440527081 /nfs/dbraw/zinc/52/70/81/440527081.db2.gz ALJQKMQJIOIRRI-RDJZCZTQSA-N 1 3 344.500 0.299 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@H](CO)C1 ZINC000665763924 440529976 /nfs/dbraw/zinc/52/99/76/440529976.db2.gz PCNGMYFEDXSMQG-PMPSAXMXSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@H](CO)C1 ZINC000665763924 440529980 /nfs/dbraw/zinc/52/99/80/440529980.db2.gz PCNGMYFEDXSMQG-PMPSAXMXSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2nccnc2C1 ZINC000665764887 440530968 /nfs/dbraw/zinc/53/09/68/440530968.db2.gz SOHPMKKDMZGJFJ-AWEZNQCLSA-N 1 3 334.468 0.816 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2nccnc2C1 ZINC000665764887 440530974 /nfs/dbraw/zinc/53/09/74/440530974.db2.gz SOHPMKKDMZGJFJ-AWEZNQCLSA-N 1 3 334.468 0.816 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000638527501 440562993 /nfs/dbraw/zinc/56/29/93/440562993.db2.gz USKARMPJCDQVIT-MAUKXSAKSA-N 1 3 330.432 0.916 20 0 ECADHO C[NH+](C)CCOc1ccccc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655300186 440533325 /nfs/dbraw/zinc/53/33/25/440533325.db2.gz ZPKZFEMCNASFFB-LSDHHAIUSA-N 1 3 333.432 0.518 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cn1 ZINC000633658708 440534331 /nfs/dbraw/zinc/53/43/31/440534331.db2.gz ZXOPIPRVYTYNMG-MRXNPFEDSA-N 1 3 337.468 0.628 20 0 ECADHO CC[NH2+][C@@H](C)C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638439402 440539201 /nfs/dbraw/zinc/53/92/01/440539201.db2.gz HYGGWHIJOSAHSG-KBPBESRZSA-N 1 3 334.468 0.523 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N(C)C ZINC000638440732 440541553 /nfs/dbraw/zinc/54/15/53/440541553.db2.gz PPYYMLVOHGXAEY-GDBMZVCRSA-N 1 3 348.495 0.866 20 0 ECADHO C[C@@H]1CN(CC[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)C[C@H](C)O1 ZINC000660120039 440601657 /nfs/dbraw/zinc/60/16/57/440601657.db2.gz BQPABRDUBALBKP-HLLBOEOZSA-N 1 3 338.496 0.510 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000660152606 440612841 /nfs/dbraw/zinc/61/28/41/440612841.db2.gz AVWONERQLAOJOH-KZNAEPCWSA-N 1 3 326.529 0.645 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000660152606 440612848 /nfs/dbraw/zinc/61/28/48/440612848.db2.gz AVWONERQLAOJOH-KZNAEPCWSA-N 1 3 326.529 0.645 20 0 ECADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655714345 440618691 /nfs/dbraw/zinc/61/86/91/440618691.db2.gz AYONCGXJNFBULK-NVXWUHKLSA-N 1 3 338.496 0.417 20 0 ECADHO CC[C@@H](CNS(C)(=O)=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772757 440622871 /nfs/dbraw/zinc/62/28/71/440622871.db2.gz MALWQTXCSQZWQO-ZFWWWQNUSA-N 1 3 333.498 0.547 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000660304738 440630935 /nfs/dbraw/zinc/63/09/35/440630935.db2.gz GUUAPCOUYOTDRA-HUUCEWRRSA-N 1 3 340.468 0.607 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000660304738 440630938 /nfs/dbraw/zinc/63/09/38/440630938.db2.gz GUUAPCOUYOTDRA-HUUCEWRRSA-N 1 3 340.468 0.607 20 0 ECADHO CCc1nn(C)cc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000666407153 440635775 /nfs/dbraw/zinc/63/57/75/440635775.db2.gz KHGAOHIPULKVBL-UHFFFAOYSA-N 1 3 335.496 0.869 20 0 ECADHO C[NH+](C)C1CCN(CCNCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638875484 440637567 /nfs/dbraw/zinc/63/75/67/440637567.db2.gz AAXLMPJSQHKSEY-UHFFFAOYSA-N 1 3 340.493 0.450 20 0 ECADHO C[NH+](C)C1CCN(CCNCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638876630 440637936 /nfs/dbraw/zinc/63/79/36/440637936.db2.gz KEDMHICRIFKBCZ-UHFFFAOYSA-N 1 3 346.522 0.511 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)CC1=O ZINC000639066953 440670096 /nfs/dbraw/zinc/67/00/96/440670096.db2.gz GNXHOGBTDJIPIY-GJZGRUSLSA-N 1 3 344.459 0.876 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000650688331 440672394 /nfs/dbraw/zinc/67/23/94/440672394.db2.gz FFAMRRSFHARZTE-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000650688331 440672401 /nfs/dbraw/zinc/67/24/01/440672401.db2.gz FFAMRRSFHARZTE-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561935 440640937 /nfs/dbraw/zinc/64/09/37/440640937.db2.gz JQJZTBYTTAAJOM-YQQAZPJKSA-N 1 3 329.485 0.157 20 0 ECADHO Cc1nnsc1CNCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000639261696 440696930 /nfs/dbraw/zinc/69/69/30/440696930.db2.gz RFQOFYTTWVRIRN-UHFFFAOYSA-N 1 3 325.482 0.733 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000656028529 440700856 /nfs/dbraw/zinc/70/08/56/440700856.db2.gz MAIWIQKOMMESKF-LVQVYYBASA-N 1 3 334.464 0.330 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000656028716 440699450 /nfs/dbraw/zinc/69/94/50/440699450.db2.gz PIBQYGPKQNVBBY-VKJFTORMSA-N 1 3 334.464 0.332 20 0 ECADHO CO[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCOC1 ZINC000639262310 440700064 /nfs/dbraw/zinc/70/00/64/440700064.db2.gz XNYNPPRNJBMWRG-DLBZAZTESA-N 1 3 341.496 0.424 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000656028534 440700400 /nfs/dbraw/zinc/70/04/00/440700400.db2.gz MDBSXBHFFWXAMW-FXUDXRNXSA-N 1 3 334.464 0.472 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000656065845 440704888 /nfs/dbraw/zinc/70/48/88/440704888.db2.gz OIPLQFHAWGISKH-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](NCCOCCC[NH3+])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000629535795 440720311 /nfs/dbraw/zinc/72/03/11/440720311.db2.gz FFBBXMHPWOUERZ-ZDUSSCGKSA-N 1 3 329.466 0.953 20 0 ECADHO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCN1CC[C@H](O)C1 ZINC000629913526 440802736 /nfs/dbraw/zinc/80/27/36/440802736.db2.gz FFIPVSGJGJPOMW-SFHVURJKSA-N 1 3 346.475 0.382 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000635280293 440805388 /nfs/dbraw/zinc/80/53/88/440805388.db2.gz TUUKOKPHSFQUMS-UHFFFAOYSA-N 1 3 340.512 0.489 20 0 ECADHO Cc1ncc2n1C[C@@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)CC2 ZINC000651335160 440805873 /nfs/dbraw/zinc/80/58/73/440805873.db2.gz DNGSKKPESIEVME-INIZCTEOSA-N 1 3 333.480 0.898 20 0 ECADHO Cc1ncc2n1C[C@@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)CC2 ZINC000651335160 440805878 /nfs/dbraw/zinc/80/58/78/440805878.db2.gz DNGSKKPESIEVME-INIZCTEOSA-N 1 3 333.480 0.898 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645273396 440776161 /nfs/dbraw/zinc/77/61/61/440776161.db2.gz IHGHXXZIWPNCRG-IPYPFGDCSA-N 1 3 337.468 0.231 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645273396 440776166 /nfs/dbraw/zinc/77/61/66/440776166.db2.gz IHGHXXZIWPNCRG-IPYPFGDCSA-N 1 3 337.468 0.231 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639760642 440786303 /nfs/dbraw/zinc/78/63/03/440786303.db2.gz YQPDXUDJSPCTHE-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656359154 440790811 /nfs/dbraw/zinc/79/08/11/440790811.db2.gz OFDYAOMVVFHEFV-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[C@](C)(O)C2CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000630044955 440847581 /nfs/dbraw/zinc/84/75/81/440847581.db2.gz PEPOFEBLXGXZGD-YSHGAJCASA-N 1 3 339.524 0.856 20 0 ECADHO NCC(=O)N1CCC[C@@H](CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000656793926 440848865 /nfs/dbraw/zinc/84/88/65/440848865.db2.gz WNVXQIZJOHEEHS-YOEHRIQHSA-N 1 3 332.448 0.957 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635532753 440885367 /nfs/dbraw/zinc/88/53/67/440885367.db2.gz OJEOYESGPUARDZ-UHFFFAOYSA-N 1 3 346.475 0.936 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000657091120 440948549 /nfs/dbraw/zinc/94/85/49/440948549.db2.gz LXARODQOBJQYEM-GFCCVEGCSA-N 1 3 345.513 0.680 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000640568947 440952441 /nfs/dbraw/zinc/95/24/41/440952441.db2.gz BOVXYNUEICQIFI-SJLPKXTDSA-N 1 3 337.512 0.798 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)C1 ZINC000646003002 440967073 /nfs/dbraw/zinc/96/70/73/440967073.db2.gz MYZNJZLDGHFCGG-LSDHHAIUSA-N 1 3 346.479 0.339 20 0 ECADHO CC(C)C[N@H+](CCN(C)C)CCn1cc([C@@H](N)[C@@H]2CCCO2)nn1 ZINC000630610295 440923855 /nfs/dbraw/zinc/92/38/55/440923855.db2.gz IWZRTMUGBMZNNL-DLBZAZTESA-N 1 3 338.500 0.977 20 0 ECADHO CC(C)C[N@@H+](CCN(C)C)CCn1cc([C@@H](N)[C@@H]2CCCO2)nn1 ZINC000630610295 440923862 /nfs/dbraw/zinc/92/38/62/440923862.db2.gz IWZRTMUGBMZNNL-DLBZAZTESA-N 1 3 338.500 0.977 20 0 ECADHO CC(C)CN(CCn1cc([C@@H](N)[C@@H]2CCCO2)nn1)CC[NH+](C)C ZINC000630610295 440923866 /nfs/dbraw/zinc/92/38/66/440923866.db2.gz IWZRTMUGBMZNNL-DLBZAZTESA-N 1 3 338.500 0.977 20 0 ECADHO CN(C)CCn1cc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cn1 ZINC000645803254 440923999 /nfs/dbraw/zinc/92/39/99/440923999.db2.gz KNWKZNCJGBELQU-CYBMUJFWSA-N 1 3 332.412 0.213 20 0 ECADHO CC(C)C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(=O)NCCN(C)C ZINC000635756155 440975591 /nfs/dbraw/zinc/97/55/91/440975591.db2.gz BKEPOYUFTVLEJH-AWEZNQCLSA-N 1 3 326.485 0.537 20 0 ECADHO CN(C(=O)c1ccc(NC(=O)COCC[NH3+])cc1)[C@H]1CCCN(C)C1 ZINC000646075438 440989769 /nfs/dbraw/zinc/98/97/69/440989769.db2.gz RNUOGFHNDCXPEH-INIZCTEOSA-N 1 3 348.447 0.767 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000646105933 440995810 /nfs/dbraw/zinc/99/58/10/440995810.db2.gz MMKSJMGUZOGMGU-MRXNPFEDSA-N 1 3 342.447 0.973 20 0 ECADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000662336350 441014806 /nfs/dbraw/zinc/01/48/06/441014806.db2.gz CPMKUYDRPBNIOL-MRXNPFEDSA-N 1 3 348.495 0.331 20 0 ECADHO C[C@@H](CNC(=O)NCCC1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000652158829 441020666 /nfs/dbraw/zinc/02/06/66/441020666.db2.gz LJXIQKFPANGJCG-HNNXBMFYSA-N 1 3 325.501 0.559 20 0 ECADHO CCO[C@@H]1CN(C(=O)NCCCN2CCCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652183009 441025112 /nfs/dbraw/zinc/02/51/12/441025112.db2.gz KSMYMOYMVQJEEN-ARFHVFGLSA-N 1 3 342.484 0.493 20 0 ECADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)n1cc(CC[NH3+])nn1 ZINC000641005675 441043423 /nfs/dbraw/zinc/04/34/23/441043423.db2.gz VCMIHGBBWBSQSL-GDBMZVCRSA-N 1 3 342.447 0.731 20 0 ECADHO O=C(c1cnnn1C1CC[NH2+]CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000662453451 441043484 /nfs/dbraw/zinc/04/34/84/441043484.db2.gz ZLCGJZILPLFKSK-HNNXBMFYSA-N 1 3 332.452 0.903 20 0 ECADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348932 441058079 /nfs/dbraw/zinc/05/80/79/441058079.db2.gz WGENNEFVXHASIK-ULQDDVLXSA-N 1 3 349.479 0.597 20 0 ECADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCCC[C@@H]3CN)C2)CC1 ZINC000332724023 320911733 /nfs/dbraw/zinc/91/17/33/320911733.db2.gz XYRCVSOEUPHNRU-JKSUJKDBSA-N 1 3 336.480 0.517 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000339580798 320987134 /nfs/dbraw/zinc/98/71/34/320987134.db2.gz JQKRIBCNHCQVNV-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000340214231 321023437 /nfs/dbraw/zinc/02/34/37/321023437.db2.gz ZTEGLGXCWPOUIM-INIZCTEOSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000340214231 321023439 /nfs/dbraw/zinc/02/34/39/321023439.db2.gz ZTEGLGXCWPOUIM-INIZCTEOSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C(C)C ZINC000340253178 321029793 /nfs/dbraw/zinc/02/97/93/321029793.db2.gz HWTNQEJVIKTEJN-HNNXBMFYSA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C(C)C ZINC000340253178 321029794 /nfs/dbraw/zinc/02/97/94/321029794.db2.gz HWTNQEJVIKTEJN-HNNXBMFYSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000340266985 321033177 /nfs/dbraw/zinc/03/31/77/321033177.db2.gz GSYCAFHKQMJLKV-IIAWOOMASA-N 1 3 336.480 0.576 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000347065226 321229492 /nfs/dbraw/zinc/22/94/92/321229492.db2.gz WFSQBFGKBJWNJK-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000347958286 321259026 /nfs/dbraw/zinc/25/90/26/321259026.db2.gz DWWJAXNCXYWTLP-MCIONIFRSA-N 1 3 326.485 0.678 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1=O ZINC000349052502 321296280 /nfs/dbraw/zinc/29/62/80/321296280.db2.gz LPYBEVOEJWKUJW-KBPBESRZSA-N 1 3 345.447 0.246 20 0 ECADHO CO[C@@H](CN)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000353471021 321393094 /nfs/dbraw/zinc/39/30/94/321393094.db2.gz RJSPNDHVSPNTKF-KRWDZBQOSA-N 1 3 340.512 0.615 20 0 ECADHO C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531118230 322035513 /nfs/dbraw/zinc/03/55/13/322035513.db2.gz DPJMSQUEZOQVJH-CVEARBPZSA-N 1 3 329.485 0.912 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000559397988 322219233 /nfs/dbraw/zinc/21/92/33/322219233.db2.gz ZBCJZNIFOBQPIU-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000559397988 322219235 /nfs/dbraw/zinc/21/92/35/322219235.db2.gz ZBCJZNIFOBQPIU-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO C[N@H+](CCNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C1CCCC1 ZINC000562797837 322284925 /nfs/dbraw/zinc/28/49/25/322284925.db2.gz NMJOXCLTFYKUQX-INIZCTEOSA-N 1 3 349.483 0.958 20 0 ECADHO C[N@@H+](CCNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C1CCCC1 ZINC000562797837 322284926 /nfs/dbraw/zinc/28/49/26/322284926.db2.gz NMJOXCLTFYKUQX-INIZCTEOSA-N 1 3 349.483 0.958 20 0 ECADHO CC(C)C[C@H](NC(=O)NCC1CC[NH2+]CC1)C(=O)NCCN(C)C ZINC000562812232 322285484 /nfs/dbraw/zinc/28/54/84/322285484.db2.gz AENZKRYSKCQFMT-HNNXBMFYSA-N 1 3 341.500 0.378 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@H](C)C1 ZINC000562956211 322289486 /nfs/dbraw/zinc/28/94/86/322289486.db2.gz OLQBJHYPJHNYBG-CVEARBPZSA-N 1 3 326.485 0.145 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCC(=O)N2CCNCC2)[C@H](C)C1 ZINC000562956211 322289487 /nfs/dbraw/zinc/28/94/87/322289487.db2.gz OLQBJHYPJHNYBG-CVEARBPZSA-N 1 3 326.485 0.145 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000563088532 322296917 /nfs/dbraw/zinc/29/69/17/322296917.db2.gz KZGBBYCUKIILAH-BASYENTBSA-N 1 3 336.480 0.025 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000564347123 322371994 /nfs/dbraw/zinc/37/19/94/322371994.db2.gz GUGHQIAJJAODRF-BARDWOONSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000564347123 322371997 /nfs/dbraw/zinc/37/19/97/322371997.db2.gz GUGHQIAJJAODRF-BARDWOONSA-N 1 3 337.468 0.060 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000564923164 322408070 /nfs/dbraw/zinc/40/80/70/322408070.db2.gz LMGQERUPXBWZLN-KBPBESRZSA-N 1 3 335.452 0.309 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000567863253 322602015 /nfs/dbraw/zinc/60/20/15/322602015.db2.gz GYANRSZYKJBIAP-FZMZJTMJSA-N 1 3 343.497 0.419 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NCC2CC[NH2+]CC2)ccn1 ZINC000569215151 322646514 /nfs/dbraw/zinc/64/65/14/322646514.db2.gz HHKOGYSCYXTRLH-UHFFFAOYSA-N 1 3 335.452 0.821 20 0 ECADHO CC(C)[NH+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)C ZINC000570106537 322676303 /nfs/dbraw/zinc/67/63/03/322676303.db2.gz DGXVYQYIQQLFQM-HUUCEWRRSA-N 1 3 339.484 0.449 20 0 ECADHO CC(C)[C@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)N1CCCCC1 ZINC000574788945 322785526 /nfs/dbraw/zinc/78/55/26/322785526.db2.gz HNMSMSAFCZESRG-HUUCEWRRSA-N 1 3 326.485 0.679 20 0 ECADHO CC1CCC(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)CC1 ZINC000578981201 322881855 /nfs/dbraw/zinc/88/18/55/322881855.db2.gz SASFJCDRPPWFJY-JCYILVPMSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000333791407 546064182 /nfs/dbraw/zinc/06/41/82/546064182.db2.gz GGCFXGLPVAVYQF-KKUMJFAQSA-N 1 3 337.468 0.075 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415650274 546206980 /nfs/dbraw/zinc/20/69/80/546206980.db2.gz PYVOSMMNYPTUCT-ZIAGYGMSSA-N 1 3 348.447 0.952 20 0 ECADHO C[NH+](C)CCCC1CN(C(=O)C(=O)NC2C3C2C2CCC3C2)CCO1 ZINC000611696781 546304314 /nfs/dbraw/zinc/30/43/14/546304314.db2.gz VTRYZMCPHQYQNJ-YHPRMOQLSA-N 1 3 349.475 0.716 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(Cn2cncn2)c1 ZINC000625290894 547063389 /nfs/dbraw/zinc/06/33/89/547063389.db2.gz WVYYDKXQZJSKMH-UHFFFAOYSA-N 1 3 344.463 0.892 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000636494919 547387960 /nfs/dbraw/zinc/38/79/60/547387960.db2.gz YDXMOYCSZQTCHK-KRWDZBQOSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656297863 547439364 /nfs/dbraw/zinc/43/93/64/547439364.db2.gz JTBJCSKEXPCZPV-BHYGNILZSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656297863 547439366 /nfs/dbraw/zinc/43/93/66/547439366.db2.gz JTBJCSKEXPCZPV-BHYGNILZSA-N 1 3 348.491 0.720 20 0 ECADHO CC1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000668329711 547619368 /nfs/dbraw/zinc/61/93/68/547619368.db2.gz AXCWXQZJGUHPPF-WCVJEAGWSA-N 1 3 336.480 0.289 20 0 ECADHO CC1[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000668329711 547619372 /nfs/dbraw/zinc/61/93/72/547619372.db2.gz AXCWXQZJGUHPPF-WCVJEAGWSA-N 1 3 336.480 0.289 20 0 ECADHO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000668506568 547672911 /nfs/dbraw/zinc/67/29/11/547672911.db2.gz KPZIFOAARYXMRG-LSDHHAIUSA-N 1 3 325.434 0.452 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCO1 ZINC000668649630 547711830 /nfs/dbraw/zinc/71/18/30/547711830.db2.gz YIFGFRVEYNEBGI-XIRDDKMYSA-N 1 3 334.464 0.917 20 0 ECADHO CCC[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000669484234 547894870 /nfs/dbraw/zinc/89/48/70/547894870.db2.gz LIPKWVRDBPHXPN-DOTOQJQBSA-N 1 3 337.512 0.938 20 0 ECADHO CCC[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669484234 547894873 /nfs/dbraw/zinc/89/48/73/547894873.db2.gz LIPKWVRDBPHXPN-DOTOQJQBSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)N4)C2)CC1 ZINC000669484288 547895277 /nfs/dbraw/zinc/89/52/77/547895277.db2.gz NWIUUEOMASCOFO-XHSDSOJGSA-N 1 3 335.496 0.691 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)N4)C2)CC1 ZINC000669484288 547895278 /nfs/dbraw/zinc/89/52/78/547895278.db2.gz NWIUUEOMASCOFO-XHSDSOJGSA-N 1 3 335.496 0.691 20 0 ECADHO C[NH+]1CCC(N2CC[C@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)N4)C2)CC1 ZINC000669484288 547895280 /nfs/dbraw/zinc/89/52/80/547895280.db2.gz NWIUUEOMASCOFO-XHSDSOJGSA-N 1 3 335.496 0.691 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670442035 548011536 /nfs/dbraw/zinc/01/15/36/548011536.db2.gz CCYAPGPHCNDZNG-VDERGJSUSA-N 1 3 334.464 0.280 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670442035 548011539 /nfs/dbraw/zinc/01/15/39/548011539.db2.gz CCYAPGPHCNDZNG-VDERGJSUSA-N 1 3 334.464 0.280 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671182603 548108350 /nfs/dbraw/zinc/10/83/50/548108350.db2.gz WKPBGVBQGZVCED-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671182603 548108353 /nfs/dbraw/zinc/10/83/53/548108353.db2.gz WKPBGVBQGZVCED-CVEARBPZSA-N 1 3 348.491 0.816 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000671963690 548247234 /nfs/dbraw/zinc/24/72/34/548247234.db2.gz SNGRBTVMJNPEGJ-HNNXBMFYSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672012016 548255199 /nfs/dbraw/zinc/25/51/99/548255199.db2.gz YZRIIOAQAWLZRM-ZBFHGGJFSA-N 1 3 338.496 0.824 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672304265 548299799 /nfs/dbraw/zinc/29/97/99/548299799.db2.gz PEVLOGVUMBGVMI-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672311946 548309994 /nfs/dbraw/zinc/30/99/94/548309994.db2.gz WGVAPMFFBZGTLL-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672311946 548309998 /nfs/dbraw/zinc/30/99/98/548309998.db2.gz WGVAPMFFBZGTLL-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000672593556 548358085 /nfs/dbraw/zinc/35/80/85/548358085.db2.gz XWQMTLHSGSRPOS-JJXSEGSLSA-N 1 3 336.480 0.671 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000672593556 548358087 /nfs/dbraw/zinc/35/80/87/548358087.db2.gz XWQMTLHSGSRPOS-JJXSEGSLSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000672698246 548374728 /nfs/dbraw/zinc/37/47/28/548374728.db2.gz NJIVGMRYFADFLA-HOTGVXAUSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000672699727 548376051 /nfs/dbraw/zinc/37/60/51/548376051.db2.gz DOBLCGTUIJFDIJ-OAHLLOKOSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000680010963 549143910 /nfs/dbraw/zinc/14/39/10/549143910.db2.gz PWXBMIHRCSWISH-HZPDHXFCSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000680010963 549143915 /nfs/dbraw/zinc/14/39/15/549143915.db2.gz PWXBMIHRCSWISH-HZPDHXFCSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680010963 549143920 /nfs/dbraw/zinc/14/39/20/549143920.db2.gz PWXBMIHRCSWISH-HZPDHXFCSA-N 1 3 338.496 0.239 20 0 ECADHO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000733997023 578351282 /nfs/dbraw/zinc/35/12/82/578351282.db2.gz PHYCQEVXMMPIRR-GULXKOIASA-N 1 3 341.477 0.850 20 0 ECADHO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000733997023 578351285 /nfs/dbraw/zinc/35/12/85/578351285.db2.gz PHYCQEVXMMPIRR-GULXKOIASA-N 1 3 341.477 0.850 20 0 ECADHO C[NH+]1CCC(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736849622 578456864 /nfs/dbraw/zinc/45/68/64/578456864.db2.gz USIULNVWDAZVPY-LBPRGKRZSA-N 1 3 331.428 0.036 20 0 ECADHO C[NH+]1CCC(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736849622 578456865 /nfs/dbraw/zinc/45/68/65/578456865.db2.gz USIULNVWDAZVPY-LBPRGKRZSA-N 1 3 331.428 0.036 20 0 ECADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000795702189 578619159 /nfs/dbraw/zinc/61/91/59/578619159.db2.gz DOGXPJIVJRWUAC-LSDHHAIUSA-N 1 3 349.479 0.519 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793703745 578936046 /nfs/dbraw/zinc/93/60/46/578936046.db2.gz XBRFBBCCOYUVQP-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793714423 578936975 /nfs/dbraw/zinc/93/69/75/578936975.db2.gz SCLLUCDZFQVZLJ-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793714423 578936977 /nfs/dbraw/zinc/93/69/77/578936977.db2.gz SCLLUCDZFQVZLJ-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CN1CCCN(CCNC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760478463 579511089 /nfs/dbraw/zinc/51/10/89/579511089.db2.gz KQWNHCVDOXKMSK-UHFFFAOYSA-N 1 3 327.542 0.430 20 0 ECADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000764271990 579574284 /nfs/dbraw/zinc/57/42/84/579574284.db2.gz WNEUNYMENKEYBE-IRXDYDNUSA-N 1 3 336.480 0.136 20 0 ECADHO O=C(C[C@H]1CNCCO1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847859 589003102 /nfs/dbraw/zinc/00/31/02/589003102.db2.gz WJHFGMSEROYAHV-INIZCTEOSA-N 1 3 347.415 0.912 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000842016797 589008644 /nfs/dbraw/zinc/00/86/44/589008644.db2.gz YKXDQHZERBMSNX-MELADBBJSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@]1(CNC(=O)C(=O)NCCC[NH3+])CCN(Cc2ccccc2)C1 ZINC000842187844 589018988 /nfs/dbraw/zinc/01/89/88/589018988.db2.gz BBPIEXDFXWUUQA-GOSISDBHSA-N 1 3 332.448 0.480 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000842188838 589019252 /nfs/dbraw/zinc/01/92/52/589019252.db2.gz KYIKMJBGYBAJJX-DNVCBOLYSA-N 1 3 346.475 0.726 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842199998 589020158 /nfs/dbraw/zinc/02/01/58/589020158.db2.gz BBUCZNQRELRJRF-MAUKXSAKSA-N 1 3 334.464 0.189 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)CCC1 ZINC000842232057 589023179 /nfs/dbraw/zinc/02/31/79/589023179.db2.gz VXKQBBBFRWUXHW-UHFFFAOYSA-N 1 3 346.475 0.747 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(C)CC(C)(C)C[NH+](C)C)CC1=O ZINC000890883023 586068575 /nfs/dbraw/zinc/06/85/75/586068575.db2.gz GMVPVPNQJGOFBC-CQSZACIVSA-N 1 3 326.485 0.443 20 0 ECADHO COC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCOC1 ZINC000891181001 586086800 /nfs/dbraw/zinc/08/68/00/586086800.db2.gz KPHYDPKTMSIZFD-HOTGVXAUSA-N 1 3 344.500 0.563 20 0 ECADHO CCN1CCN(CCCCNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000891356746 586165151 /nfs/dbraw/zinc/16/51/51/586165151.db2.gz QHEZSKJHGBXTBY-FUHWJXTLSA-N 1 3 337.512 0.655 20 0 ECADHO CCN1CCN(CCCCNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891357175 586165241 /nfs/dbraw/zinc/16/52/41/586165241.db2.gz ZRQALMVKZSSXQC-IAGOWNOFSA-N 1 3 337.512 0.940 20 0 ECADHO COCCN(C)CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891493576 586171466 /nfs/dbraw/zinc/17/14/66/586171466.db2.gz VGUFJXCEKPANKR-CQSZACIVSA-N 1 3 328.457 0.023 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000891577399 586179068 /nfs/dbraw/zinc/17/90/68/586179068.db2.gz ROJUWXDHYSXMOS-DLBZAZTESA-N 1 3 334.464 0.966 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000891766706 586195625 /nfs/dbraw/zinc/19/56/25/586195625.db2.gz XKBVTLCESVZNAK-XOKHGSTOSA-N 1 3 332.448 0.884 20 0 ECADHO CCC1([NH3+])CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000891880446 586202816 /nfs/dbraw/zinc/20/28/16/586202816.db2.gz HVYGQUZSDPBWEU-UHFFFAOYSA-N 1 3 325.501 0.925 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000896010588 586217623 /nfs/dbraw/zinc/21/76/23/586217623.db2.gz GIYFFWLCDSECCT-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000896010588 586217625 /nfs/dbraw/zinc/21/76/25/586217625.db2.gz GIYFFWLCDSECCT-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCC1C[NH2+]C1 ZINC000892047268 586218199 /nfs/dbraw/zinc/21/81/99/586218199.db2.gz MKVCLJDTIWZRTN-GOSISDBHSA-N 1 3 332.448 0.484 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892069240 586219795 /nfs/dbraw/zinc/21/97/95/586219795.db2.gz GTWPFSIZADVLCX-VQHPVUNQSA-N 1 3 336.480 0.854 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892069240 586219796 /nfs/dbraw/zinc/21/97/96/586219796.db2.gz GTWPFSIZADVLCX-VQHPVUNQSA-N 1 3 336.480 0.854 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)CC1 ZINC000892091131 586220926 /nfs/dbraw/zinc/22/09/26/586220926.db2.gz ITNYHRGDZPYHBK-QGZVFWFLSA-N 1 3 337.512 0.925 20 0 ECADHO O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@@H]1CCCCN1CCO ZINC000892332008 586252335 /nfs/dbraw/zinc/25/23/35/586252335.db2.gz HTGZHDGEBSDBKK-KRWDZBQOSA-N 1 3 346.475 0.978 20 0 ECADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000892576518 586274631 /nfs/dbraw/zinc/27/46/31/586274631.db2.gz RAOARKYCWWCIJR-BQFCYCMXSA-N 1 3 332.448 0.660 20 0 ECADHO O=C(NCCCN1CCC(O)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896933009 586278627 /nfs/dbraw/zinc/27/86/27/586278627.db2.gz NRWQYSOQGLODJQ-UHFFFAOYSA-N 1 3 325.453 0.060 20 0 ECADHO C[N@H+]1C[C@H]2CN(C(=O)NC3CCN(C[C@H]4CCCO4)CC3)C[C@H]2C1 ZINC000893014007 586305722 /nfs/dbraw/zinc/30/57/22/586305722.db2.gz VAWUGGJJOXNTMX-HLLBOEOZSA-N 1 3 336.480 0.833 20 0 ECADHO C[N@@H+]1C[C@H]2CN(C(=O)NC3CCN(C[C@H]4CCCO4)CC3)C[C@H]2C1 ZINC000893014007 586305724 /nfs/dbraw/zinc/30/57/24/586305724.db2.gz VAWUGGJJOXNTMX-HLLBOEOZSA-N 1 3 336.480 0.833 20 0 ECADHO C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000897567805 586345393 /nfs/dbraw/zinc/34/53/93/586345393.db2.gz NGVPBUMRGSSWRW-BRWVUGGUSA-N 1 3 338.496 0.959 20 0 ECADHO C[N@H+]1CCCC[C@H](CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000897567805 586345396 /nfs/dbraw/zinc/34/53/96/586345396.db2.gz NGVPBUMRGSSWRW-BRWVUGGUSA-N 1 3 338.496 0.959 20 0 ECADHO CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1CCCN(C)C1 ZINC000893864533 586364742 /nfs/dbraw/zinc/36/47/42/586364742.db2.gz BORSSVMNRWMTLH-INIZCTEOSA-N 1 3 325.501 0.748 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000898437316 586423586 /nfs/dbraw/zinc/42/35/86/586423586.db2.gz NKHJHFOYHIWERD-MHORFTMASA-N 1 3 329.444 0.957 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000898437316 586423587 /nfs/dbraw/zinc/42/35/87/586423587.db2.gz NKHJHFOYHIWERD-MHORFTMASA-N 1 3 329.444 0.957 20 0 ECADHO O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000898634503 586439184 /nfs/dbraw/zinc/43/91/84/586439184.db2.gz ZAKCGCBDRZCWCH-QGZVFWFLSA-N 1 3 336.480 0.136 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000900023185 586519182 /nfs/dbraw/zinc/51/91/82/586519182.db2.gz IBTBYVVSENJAIN-SFHVURJKSA-N 1 3 338.496 0.073 20 0 ECADHO C=CC(=O)N(CC)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000900481997 586635249 /nfs/dbraw/zinc/63/52/49/586635249.db2.gz WRVKRKJEHFRGKA-INIZCTEOSA-N 1 3 338.496 0.895 20 0 ECADHO C=CC(=O)N(CC)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000900481997 586635250 /nfs/dbraw/zinc/63/52/50/586635250.db2.gz WRVKRKJEHFRGKA-INIZCTEOSA-N 1 3 338.496 0.895 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\Cn1cncn1 ZINC000900481654 586635310 /nfs/dbraw/zinc/63/53/10/586635310.db2.gz SVVUMSINJFKYBF-QKIRZYONSA-N 1 3 334.468 0.709 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\Cn1cncn1 ZINC000900481654 586635311 /nfs/dbraw/zinc/63/53/11/586635311.db2.gz SVVUMSINJFKYBF-QKIRZYONSA-N 1 3 334.468 0.709 20 0 ECADHO CCN1CCN(CCCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900688432 586656575 /nfs/dbraw/zinc/65/65/75/586656575.db2.gz IDSOHEUUWNNJDM-SFHVURJKSA-N 1 3 340.512 0.367 20 0 ECADHO CCN1CCN(CCCCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900688432 586656577 /nfs/dbraw/zinc/65/65/77/586656577.db2.gz IDSOHEUUWNNJDM-SFHVURJKSA-N 1 3 340.512 0.367 20 0 ECADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000900761296 586660211 /nfs/dbraw/zinc/66/02/11/586660211.db2.gz QRKPSCJOLDIBKV-SFHVURJKSA-N 1 3 339.480 0.404 20 0 ECADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000900761296 586660212 /nfs/dbraw/zinc/66/02/12/586660212.db2.gz QRKPSCJOLDIBKV-SFHVURJKSA-N 1 3 339.480 0.404 20 0 ECADHO CN(C)CCn1nccc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000900953874 586676737 /nfs/dbraw/zinc/67/67/37/586676737.db2.gz GVTPQXBNNJWVMC-UHFFFAOYSA-N 1 3 336.484 0.201 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)N1CCC(C)CC1)C2 ZINC000903491853 586779520 /nfs/dbraw/zinc/77/95/20/586779520.db2.gz DADQTSIVBAURJE-FSZRXZPDSA-N 1 3 337.464 0.846 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NCc1cccnc1 ZINC000903508426 586780638 /nfs/dbraw/zinc/78/06/38/586780638.db2.gz GLKPOCYEQAZLFU-HDICACEKSA-N 1 3 343.475 0.598 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NCc1cccnc1 ZINC000903508426 586780640 /nfs/dbraw/zinc/78/06/40/586780640.db2.gz GLKPOCYEQAZLFU-HDICACEKSA-N 1 3 343.475 0.598 20 0 ECADHO C[C@H](C(=O)NC(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510520 586781024 /nfs/dbraw/zinc/78/10/24/586781024.db2.gz RTCKCJHOBMVJTP-WQVCFCJDSA-N 1 3 349.479 0.264 20 0 ECADHO C[C@H](C(=O)NC(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510520 586781025 /nfs/dbraw/zinc/78/10/25/586781025.db2.gz RTCKCJHOBMVJTP-WQVCFCJDSA-N 1 3 349.479 0.264 20 0 ECADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)CC1 ZINC000903720468 586801498 /nfs/dbraw/zinc/80/14/98/586801498.db2.gz NEZSXHDPZKMUCP-HNNXBMFYSA-N 1 3 338.496 0.763 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903750952 586804555 /nfs/dbraw/zinc/80/45/55/586804555.db2.gz YXYOGINJOMBWNC-AWEZNQCLSA-N 1 3 326.485 0.763 20 0 ECADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790334 586812888 /nfs/dbraw/zinc/81/28/88/586812888.db2.gz CGPKZPCMKIVXAG-UONOGXRCSA-N 1 3 338.496 0.796 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCOC2CCSCC2)C1 ZINC000903777702 586814029 /nfs/dbraw/zinc/81/40/29/586814029.db2.gz CNQUPGDXPHUYSY-VHDGCEQUSA-N 1 3 341.477 0.766 20 0 ECADHO Nc1nc(C2CC2)nc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000903824184 586817847 /nfs/dbraw/zinc/81/78/47/586817847.db2.gz MTUYFOBCKCNUQO-ZDUSSCGKSA-N 1 3 331.468 0.843 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1)C(C)C ZINC000903821335 586818024 /nfs/dbraw/zinc/81/80/24/586818024.db2.gz YQKGFMAMTYIVLK-OAHLLOKOSA-N 1 3 347.463 0.575 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CC[C@@H](CN3CCOCC3)C2)cnn1C ZINC000903896313 586823826 /nfs/dbraw/zinc/82/38/26/586823826.db2.gz ARFUBFRCEJYXEV-IRXDYDNUSA-N 1 3 335.496 0.500 20 0 ECADHO CCn1ncc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000838922931 586829280 /nfs/dbraw/zinc/82/92/80/586829280.db2.gz YOVLKWCGCOLMQO-UHFFFAOYSA-N 1 3 329.452 0.995 20 0 ECADHO [NH3+][C@H]1C[C@@H](CN2CCN(CCNC(=O)c3ccccc3F)CC2)C1 ZINC000904337552 586834596 /nfs/dbraw/zinc/83/45/96/586834596.db2.gz CSJJWTFCVSVZBK-GASCZTMLSA-N 1 3 334.439 0.910 20 0 ECADHO COc1ccccc1NC(=O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904359653 586835905 /nfs/dbraw/zinc/83/59/05/586835905.db2.gz RGEAFRPRKRTHCL-GASCZTMLSA-N 1 3 332.448 0.989 20 0 ECADHO COc1ccc(CN2CC[C@H](NC3CCN(CC[NH3+])CC3)C2=O)cc1 ZINC000904366155 586836588 /nfs/dbraw/zinc/83/65/88/586836588.db2.gz GCUFCXLHIIVNKW-SFHVURJKSA-N 1 3 346.475 0.809 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904948306 586847998 /nfs/dbraw/zinc/84/79/98/586847998.db2.gz WXKKJGGEGDDJHI-UHFFFAOYSA-N 1 3 346.475 0.526 20 0 ECADHO NC[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000905004894 586858157 /nfs/dbraw/zinc/85/81/57/586858157.db2.gz CAIHGDXKHNDGJG-RVKKMQEKSA-N 1 3 334.464 0.271 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[C@]43CN)CC[C@@H]21 ZINC000905007451 586859490 /nfs/dbraw/zinc/85/94/90/586859490.db2.gz IBYNODKWOGOFNF-LLDVTBCESA-N 1 3 334.464 0.269 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[C@]43CN)CC[C@@H]21 ZINC000905007451 586859493 /nfs/dbraw/zinc/85/94/93/586859493.db2.gz IBYNODKWOGOFNF-LLDVTBCESA-N 1 3 334.464 0.269 20 0 ECADHO C[NH+]1CCC2(CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@]43CN)CC2)CC1 ZINC000905007827 586859556 /nfs/dbraw/zinc/85/95/56/586859556.db2.gz KPQJUQQSTWNBDG-DNVCBOLYSA-N 1 3 348.491 0.661 20 0 ECADHO CCN1CCN(C[C@H](C)CNS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905337296 586887929 /nfs/dbraw/zinc/88/79/29/586887929.db2.gz DVMSNMYXFWGACS-OAHLLOKOSA-N 1 3 346.541 0.179 20 0 ECADHO N[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1c1cccc(F)c1 ZINC000905342592 586888788 /nfs/dbraw/zinc/88/87/88/586888788.db2.gz CFUNYQVTRRBUCJ-JKSUJKDBSA-N 1 3 341.452 0.882 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)N2CCC(CN3CCOCC3)CC2)C1 ZINC000906219519 586935408 /nfs/dbraw/zinc/93/54/08/586935408.db2.gz RBBLLPJHPMOTNR-UHFFFAOYSA-N 1 3 338.496 0.051 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)N2CCC(CN3CCOCC3)CC2)C1 ZINC000906219519 586935411 /nfs/dbraw/zinc/93/54/11/586935411.db2.gz RBBLLPJHPMOTNR-UHFFFAOYSA-N 1 3 338.496 0.051 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(=O)N1C ZINC000906489038 586950659 /nfs/dbraw/zinc/95/06/59/586950659.db2.gz RMYOXMHMWDHGNJ-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(=O)N1C ZINC000906489038 586950661 /nfs/dbraw/zinc/95/06/61/586950661.db2.gz RMYOXMHMWDHGNJ-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO NC1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000906697389 586967664 /nfs/dbraw/zinc/96/76/64/586967664.db2.gz NODCXIGZSFUYNR-UHFFFAOYSA-N 1 3 330.432 0.871 20 0 ECADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000808194206 587148680 /nfs/dbraw/zinc/14/86/80/587148680.db2.gz ZJJNZOAPMUUWFO-LSDHHAIUSA-N 1 3 349.479 0.519 20 0 ECADHO CN(C)CCNC(=S)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000814207433 587271619 /nfs/dbraw/zinc/27/16/19/587271619.db2.gz YQTYPDZILKADIQ-UHFFFAOYSA-N 1 3 329.514 0.004 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)N1CCCCC1 ZINC000817767324 587383390 /nfs/dbraw/zinc/38/33/90/587383390.db2.gz QYIMZQJPTBHGOA-FHERZECASA-N 1 3 338.496 0.966 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817942878 587392934 /nfs/dbraw/zinc/39/29/34/587392934.db2.gz GXVJPJUIVYRBEV-QAPCUYQASA-N 1 3 334.464 0.428 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(CN(C)C)cc2)C1 ZINC000817954304 587393390 /nfs/dbraw/zinc/39/33/90/587393390.db2.gz YGOQPJUALPRMDF-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000817988221 587394752 /nfs/dbraw/zinc/39/47/52/587394752.db2.gz LCJGYMMEXBKWDH-CQSZACIVSA-N 1 3 334.420 0.515 20 0 ECADHO [NH3+]CCNC(=O)c1ccccc1NC(=O)[C@H]1CNCCC1(F)F ZINC000818583540 587439304 /nfs/dbraw/zinc/43/93/04/587439304.db2.gz ZHBIYIMLGIEDEH-LLVKDONJSA-N 1 3 326.347 0.558 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000818638021 587442072 /nfs/dbraw/zinc/44/20/72/587442072.db2.gz OJUCADFQXYOJMW-JKSUJKDBSA-N 1 3 346.431 0.372 20 0 ECADHO [NH3+][C@H](CC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000828021090 588153339 /nfs/dbraw/zinc/15/33/39/588153339.db2.gz JOYWRNZBBGVXFR-QGZVFWFLSA-N 1 3 331.464 0.837 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN(C)C2CCC([NH3+])CC2)C1 ZINC000844220360 589103722 /nfs/dbraw/zinc/10/37/22/589103722.db2.gz DPYNICMJVDVAFX-JCYILVPMSA-N 1 3 340.512 0.661 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000845045305 589129518 /nfs/dbraw/zinc/12/95/18/589129518.db2.gz RKPBKPOWJVNTHE-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO C[C@@H](CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)N(C)C ZINC000845183969 589136051 /nfs/dbraw/zinc/13/60/51/589136051.db2.gz ALVCVYBNUNZPJF-STQMWFEESA-N 1 3 330.473 0.898 20 0 ECADHO CCOCCCNC(=[NH2+])NCC(=O)NCCN1CCCCCC1 ZINC000849103086 589320018 /nfs/dbraw/zinc/32/00/18/589320018.db2.gz GNTXHMSCSNZLFC-UHFFFAOYSA-N 1 3 327.473 0.519 20 0 ECADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccccn2)n[nH]1 ZINC000849116509 589320747 /nfs/dbraw/zinc/32/07/47/589320747.db2.gz LUCMPBLIZBUIQE-GFCCVEGCSA-N 1 3 328.424 0.965 20 0 ECADHO CON(C)C(=O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849117896 589321064 /nfs/dbraw/zinc/32/10/64/589321064.db2.gz AGKRKMWEQDIHAW-UHFFFAOYSA-N 1 3 333.436 0.785 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000851682504 589412960 /nfs/dbraw/zinc/41/29/60/589412960.db2.gz UCVUKYOJJPDFSI-QAPCUYQASA-N 1 3 334.464 0.873 20 0 ECADHO [NH3+]C[C@H]1CC(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)=NO1 ZINC000852859449 589518653 /nfs/dbraw/zinc/51/86/53/589518653.db2.gz TVDQRFYBYFUVFO-OAHLLOKOSA-N 1 3 332.404 0.685 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1COC(C)(C)O1 ZINC000853976834 589566675 /nfs/dbraw/zinc/56/66/75/589566675.db2.gz IXCIBCLPYUCCDH-KBPBESRZSA-N 1 3 330.473 0.709 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1COC(C)(C)O1 ZINC000853976834 589566677 /nfs/dbraw/zinc/56/66/77/589566677.db2.gz IXCIBCLPYUCCDH-KBPBESRZSA-N 1 3 330.473 0.709 20 0 ECADHO CN1CCN(CC2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC000854644798 589597623 /nfs/dbraw/zinc/59/76/23/589597623.db2.gz STXGFHLZAWPMKD-GOSISDBHSA-N 1 3 340.487 0.905 20 0 ECADHO CN1CCN(CC2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC1 ZINC000854644798 589597624 /nfs/dbraw/zinc/59/76/24/589597624.db2.gz STXGFHLZAWPMKD-GOSISDBHSA-N 1 3 340.487 0.905 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H](CC[N@@H+]3C)C1)CC2 ZINC000867514777 589796809 /nfs/dbraw/zinc/79/68/09/589796809.db2.gz FHBOCJYLFARYTC-LVQVYYBASA-N 1 3 334.464 0.234 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H](CC[N@H+]3C)C1)CC2 ZINC000867514777 589796811 /nfs/dbraw/zinc/79/68/11/589796811.db2.gz FHBOCJYLFARYTC-LVQVYYBASA-N 1 3 334.464 0.234 20 0 ECADHO CN(CC[Si](C)(C)CCN(C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000859209880 589808113 /nfs/dbraw/zinc/80/81/13/589808113.db2.gz NYJHLIBGNBVJBV-OKILXGFUSA-N 1 3 340.544 0.335 20 0 ECADHO CN(CC[Si](C)(C)CC[N@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000859209880 589808114 /nfs/dbraw/zinc/80/81/14/589808114.db2.gz NYJHLIBGNBVJBV-OKILXGFUSA-N 1 3 340.544 0.335 20 0 ECADHO CN(CC[Si](C)(C)CC[N@@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000859209880 589808116 /nfs/dbraw/zinc/80/81/16/589808116.db2.gz NYJHLIBGNBVJBV-OKILXGFUSA-N 1 3 340.544 0.335 20 0 ECADHO CN(CC[Si](C)(C)CC[N@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000859209880 589808117 /nfs/dbraw/zinc/80/81/17/589808117.db2.gz NYJHLIBGNBVJBV-OKILXGFUSA-N 1 3 340.544 0.335 20 0 ECADHO CN(CC[Si](C)(C)CC[N@@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000859209880 589808118 /nfs/dbraw/zinc/80/81/18/589808118.db2.gz NYJHLIBGNBVJBV-OKILXGFUSA-N 1 3 340.544 0.335 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC000861719430 589880201 /nfs/dbraw/zinc/88/02/01/589880201.db2.gz IDIZWQKPLPLVFE-MKXGPGLRSA-N 1 3 343.471 0.999 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC000861719430 589880203 /nfs/dbraw/zinc/88/02/03/589880203.db2.gz IDIZWQKPLPLVFE-MKXGPGLRSA-N 1 3 343.471 0.999 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868253359 589885844 /nfs/dbraw/zinc/88/58/44/589885844.db2.gz MTAFUHFGYZUCNX-OWCLPIDISA-N 1 3 330.432 0.992 20 0 ECADHO CNCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000868310474 589891834 /nfs/dbraw/zinc/89/18/34/589891834.db2.gz VOTFMXSBYBEJKB-ZBFHGGJFSA-N 1 3 330.432 0.897 20 0 ECADHO CNCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000868310474 589891837 /nfs/dbraw/zinc/89/18/37/589891837.db2.gz VOTFMXSBYBEJKB-ZBFHGGJFSA-N 1 3 330.432 0.897 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(CN(C)C)cc2)C[NH2+]1 ZINC000861805976 589894085 /nfs/dbraw/zinc/89/40/85/589894085.db2.gz RSVDTHNBPSIQFV-YOEHRIQHSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(CN(C)C)cc2)C[NH2+]1 ZINC000861805975 589894185 /nfs/dbraw/zinc/89/41/85/589894185.db2.gz RSVDTHNBPSIQFV-WMLDXEAASA-N 1 3 346.475 0.963 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868407483 589902578 /nfs/dbraw/zinc/90/25/78/589902578.db2.gz VTSTXTZJUALCRB-AWEZNQCLSA-N 1 3 326.485 0.761 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868511662 589911088 /nfs/dbraw/zinc/91/10/88/589911088.db2.gz JVNNHBNZAJIPMH-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868511662 589911090 /nfs/dbraw/zinc/91/10/90/589911090.db2.gz JVNNHBNZAJIPMH-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO C[N@H+](C[C@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C1CC1 ZINC000872225517 590106055 /nfs/dbraw/zinc/10/60/55/590106055.db2.gz KNXWZMCIQWCJSA-RBSFLKMASA-N 1 3 343.468 0.401 20 0 ECADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C1CC1 ZINC000872225517 590106057 /nfs/dbraw/zinc/10/60/57/590106057.db2.gz KNXWZMCIQWCJSA-RBSFLKMASA-N 1 3 343.468 0.401 20 0 ECADHO CCO[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1CCOCC1 ZINC000865177559 590129378 /nfs/dbraw/zinc/12/93/78/590129378.db2.gz KCWCDTDICUPHGI-MRXNPFEDSA-N 1 3 329.485 0.770 20 0 ECADHO COCCn1cc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cn1 ZINC000873218663 590186948 /nfs/dbraw/zinc/18/69/48/590186948.db2.gz NGDHVCDPCLLHTI-UHFFFAOYSA-N 1 3 341.419 0.859 20 0 ECADHO O=C1COC[C@]2(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)COCCN12 ZINC000873266785 590187475 /nfs/dbraw/zinc/18/74/75/590187475.db2.gz QKBPGMAPGAXGBX-LHHMISFZSA-N 1 3 337.464 0.515 20 0 ECADHO O=C(CN1CCCC1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000874258985 590228675 /nfs/dbraw/zinc/22/86/75/590228675.db2.gz WHORLRFRBIBETM-UHFFFAOYSA-N 1 3 331.464 0.806 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875168751 590277571 /nfs/dbraw/zinc/27/75/71/590277571.db2.gz AHFUZSIESIVQSW-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875168751 590277573 /nfs/dbraw/zinc/27/75/73/590277573.db2.gz AHFUZSIESIVQSW-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CC[NH+](C2CCN(C[C@@H](O)C[C@](C)(O)C3CC3)CC2)CC1 ZINC000879594193 590326922 /nfs/dbraw/zinc/32/69/22/590326922.db2.gz AQZIRXMEMKEFHM-ROUUACIJSA-N 1 3 325.497 0.610 20 0 ECADHO CN(C)C[C@H](N)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876520456 590384906 /nfs/dbraw/zinc/38/49/06/590384906.db2.gz LQPIMSVXZIVXKB-AWEZNQCLSA-N 1 3 334.420 0.423 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2c(CN)cnn2C)CC1 ZINC000876746385 590407776 /nfs/dbraw/zinc/40/77/76/590407776.db2.gz LFLFHDDHSSIBQO-GJZGRUSLSA-N 1 3 348.495 0.509 20 0 ECADHO Cn1ncc(C[NH3+])c1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000876780335 590413851 /nfs/dbraw/zinc/41/38/51/590413851.db2.gz FGZIWCKXBJYICP-UHFFFAOYSA-N 1 3 342.447 0.879 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876781171 590414687 /nfs/dbraw/zinc/41/46/87/590414687.db2.gz DMGXVEWQKDPJGO-DOTOQJQBSA-N 1 3 349.454 0.658 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876880827 590422471 /nfs/dbraw/zinc/42/24/71/590422471.db2.gz NTKMUCHXQNWUSR-KBPBESRZSA-N 1 3 325.453 0.751 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1 ZINC000877009462 590433285 /nfs/dbraw/zinc/43/32/85/590433285.db2.gz NEXCRVMWHRLFTG-STQMWFEESA-N 1 3 340.374 0.757 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877343095 590459691 /nfs/dbraw/zinc/45/96/91/590459691.db2.gz ILLRPCJBBXEJTK-HOTGVXAUSA-N 1 3 330.432 0.075 20 0 ECADHO CN1C(=O)[C@H]2CN(Cc3ccc(OCC[NH+](C)C)cc3)C[C@H]2C1=O ZINC000877720304 590479503 /nfs/dbraw/zinc/47/95/03/590479503.db2.gz NJNXJMGRDPMUGG-IYBDPMFKSA-N 1 3 331.416 0.674 20 0 ECADHO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)NC2CCN(C)CC2)C1 ZINC000878453105 590522362 /nfs/dbraw/zinc/52/23/62/590522362.db2.gz GTBQIROPEKAVEG-ZIAGYGMSSA-N 1 3 340.468 0.653 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000883642007 590639134 /nfs/dbraw/zinc/63/91/34/590639134.db2.gz AWXRPCFRODSAGS-MGPQQGTHSA-N 1 3 331.420 0.067 20 0 ECADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884876434 590639173 /nfs/dbraw/zinc/63/91/73/590639173.db2.gz BFFYXTIUTAYJDZ-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCNCCC12CCC2 ZINC000883657979 590645574 /nfs/dbraw/zinc/64/55/74/590645574.db2.gz PNQDSKMLKBROOO-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCNCCC12CCC2 ZINC000883657979 590645577 /nfs/dbraw/zinc/64/55/77/590645577.db2.gz PNQDSKMLKBROOO-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@H]21 ZINC000883659247 590646555 /nfs/dbraw/zinc/64/65/55/590646555.db2.gz BURBYSIZCLRSIQ-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@H]21 ZINC000883659247 590646557 /nfs/dbraw/zinc/64/65/57/590646557.db2.gz BURBYSIZCLRSIQ-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CO[C@@H]1COCC[C@@H]1N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000883770458 590664082 /nfs/dbraw/zinc/66/40/82/590664082.db2.gz REHRFNXRPSKXBG-HRCADAONSA-N 1 3 344.500 0.704 20 0 ECADHO CO[C@@H]1COCC[C@@H]1N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000883770458 590664085 /nfs/dbraw/zinc/66/40/85/590664085.db2.gz REHRFNXRPSKXBG-HRCADAONSA-N 1 3 344.500 0.704 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000884012607 590704511 /nfs/dbraw/zinc/70/45/11/590704511.db2.gz PGULIPNKZLWJCM-UHFFFAOYSA-N 1 3 329.448 0.848 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884230795 590783581 /nfs/dbraw/zinc/78/35/81/590783581.db2.gz ZXQKOQBTPMTJPZ-MRXNPFEDSA-N 1 3 349.479 0.578 20 0 ECADHO COCC[C@@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000884342008 590810824 /nfs/dbraw/zinc/81/08/24/590810824.db2.gz NRJCKATWVGIBSK-CQSZACIVSA-N 1 3 336.436 0.273 20 0 ECADHO N[C@@H](CC1CC1)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884423560 590824736 /nfs/dbraw/zinc/82/47/36/590824736.db2.gz ZAKZJEAEUFRGJA-CABCVRRESA-N 1 3 346.479 0.653 20 0 ECADHO N[C@H](CC1CC1)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884423563 590825235 /nfs/dbraw/zinc/82/52/35/590825235.db2.gz ZAKZJEAEUFRGJA-LSDHHAIUSA-N 1 3 346.479 0.653 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000884587266 590864751 /nfs/dbraw/zinc/86/47/51/590864751.db2.gz DWODYYKGMRZCEP-UHFFFAOYSA-N 1 3 342.484 0.191 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884601347 590867848 /nfs/dbraw/zinc/86/78/48/590867848.db2.gz IILQUXSUDCDADS-ZIAGYGMSSA-N 1 3 326.485 0.727 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)C1=CCN(C)CC1 ZINC000884623998 590875651 /nfs/dbraw/zinc/87/56/51/590875651.db2.gz VEEZQGAIXSCZRT-DNVCBOLYSA-N 1 3 348.491 0.745 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)C1=CCN(C)CC1 ZINC000884624148 590875771 /nfs/dbraw/zinc/87/57/71/590875771.db2.gz ZMGHQJNROKYYPD-DZGCQCFKSA-N 1 3 336.480 0.647 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)C1=CCN(C)CC1 ZINC000884624150 590875887 /nfs/dbraw/zinc/87/58/87/590875887.db2.gz ZMGHQJNROKYYPD-UKRRQHHQSA-N 1 3 336.480 0.647 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000884664372 590885886 /nfs/dbraw/zinc/88/58/86/590885886.db2.gz JYEGQOBCAPUEST-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCN1c1ccncc1 ZINC000884694850 590900306 /nfs/dbraw/zinc/90/03/06/590900306.db2.gz ZATHVERDPCSXFU-GJZGRUSLSA-N 1 3 345.447 0.377 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884834108 590931451 /nfs/dbraw/zinc/93/14/51/590931451.db2.gz SXQFWOXUPPIHAU-NVXWUHKLSA-N 1 3 346.475 0.678 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884834108 590931453 /nfs/dbraw/zinc/93/14/53/590931453.db2.gz SXQFWOXUPPIHAU-NVXWUHKLSA-N 1 3 346.475 0.678 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC12OCCO2 ZINC000889516300 591059517 /nfs/dbraw/zinc/05/95/17/591059517.db2.gz QRXAPRLFKCRAOY-AWEZNQCLSA-N 1 3 328.457 0.417 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946591508 611357622 /nfs/dbraw/zinc/35/76/22/611357622.db2.gz WQSCNITUAVEYRK-YYIAUSFCSA-N 1 3 348.491 0.517 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591508 611357623 /nfs/dbraw/zinc/35/76/23/611357623.db2.gz WQSCNITUAVEYRK-YYIAUSFCSA-N 1 3 348.491 0.517 20 0 ECADHO CN1C[C@@H](O)C[C@@H]1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000924983860 611445815 /nfs/dbraw/zinc/44/58/15/611445815.db2.gz KOVRSWUQCLJCBC-CABCVRRESA-N 1 3 325.453 0.203 20 0 ECADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925543089 611486465 /nfs/dbraw/zinc/48/64/65/611486465.db2.gz QHFBKLVVHNDOPR-OAHLLOKOSA-N 1 3 326.485 0.191 20 0 ECADHO CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)CC[C@@H]3C2)C1=O ZINC000946801055 611490722 /nfs/dbraw/zinc/49/07/22/611490722.db2.gz XNBKHTRIIQXEDL-IJEWVQPXSA-N 1 3 345.447 0.353 20 0 ECADHO CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)CC[C@@H]3C2)C1=O ZINC000946801055 611490724 /nfs/dbraw/zinc/49/07/24/611490724.db2.gz XNBKHTRIIQXEDL-IJEWVQPXSA-N 1 3 345.447 0.353 20 0 ECADHO CCO[C@@H](CNC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C)C[NH+](C)C ZINC000926844668 611572165 /nfs/dbraw/zinc/57/21/65/611572165.db2.gz MEWIBNSVUVQSQH-KKUMJFAQSA-N 1 3 330.473 0.314 20 0 ECADHO O=C(CNC(=O)C[NH2+]C1CCN(C2CC2)CC1)NCc1ccccc1 ZINC000926966087 611577095 /nfs/dbraw/zinc/57/70/95/611577095.db2.gz XWVXHCMEIYVSMV-UHFFFAOYSA-N 1 3 344.459 0.635 20 0 ECADHO O=C(CCCC[NH+]1CCCC1)NCC(=O)NCCN1CCCCC1 ZINC000909326344 608607485 /nfs/dbraw/zinc/60/74/85/608607485.db2.gz WJIBWEDMEKMHQM-UHFFFAOYSA-N 1 3 338.496 0.971 20 0 ECADHO C[C@H](Cc1cccnc1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000933743994 608771257 /nfs/dbraw/zinc/77/12/57/608771257.db2.gz SATKDKKMVYUOFF-OAHLLOKOSA-N 1 3 349.479 0.081 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000937486635 608813689 /nfs/dbraw/zinc/81/36/89/608813689.db2.gz ZUINLEDXCNFSRK-HIFRSBDPSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000937486635 608813693 /nfs/dbraw/zinc/81/36/93/608813693.db2.gz ZUINLEDXCNFSRK-HIFRSBDPSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@@H]1[C@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C ZINC000928437793 611687407 /nfs/dbraw/zinc/68/74/07/611687407.db2.gz DENCLQOSPXEGJR-AAVRWANBSA-N 1 3 342.509 0.137 20 0 ECADHO C[C@@H]1[C@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C ZINC000928437793 611687408 /nfs/dbraw/zinc/68/74/08/611687408.db2.gz DENCLQOSPXEGJR-AAVRWANBSA-N 1 3 342.509 0.137 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000938318295 609732166 /nfs/dbraw/zinc/73/21/66/609732166.db2.gz CPZJXLZRJGWRPP-ZOBUZTSGSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000938318295 609732167 /nfs/dbraw/zinc/73/21/67/609732167.db2.gz CPZJXLZRJGWRPP-ZOBUZTSGSA-N 1 3 338.496 0.632 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000938385371 609767250 /nfs/dbraw/zinc/76/72/50/609767250.db2.gz GVRPZYHIDUAOEU-HNNXBMFYSA-N 1 3 347.463 0.854 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000910970275 609785664 /nfs/dbraw/zinc/78/56/64/609785664.db2.gz KCTJYHMEOVZWCO-HYVNUMGLSA-N 1 3 346.475 0.247 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C 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/nfs/dbraw/zinc/63/39/68/731633968.db2.gz ASJLQRPELSHNIS-OIISXLGYSA-N 1 3 348.491 0.624 20 0 ECADHO CO[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342329 731666064 /nfs/dbraw/zinc/66/60/64/731666064.db2.gz RHUJQEGXUNCJNO-RRFJBIMHSA-N 1 3 325.453 0.180 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C1CN(CCCO)C1 ZINC000969834301 732422035 /nfs/dbraw/zinc/42/20/35/732422035.db2.gz WPLVGEKSFCAZEQ-YOEHRIQHSA-N 1 3 339.480 0.449 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C1CN(CCCO)C1 ZINC000969834301 732422036 /nfs/dbraw/zinc/42/20/36/732422036.db2.gz WPLVGEKSFCAZEQ-YOEHRIQHSA-N 1 3 339.480 0.449 20 0 ECADHO CC(C)(C(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001208917823 732427880 /nfs/dbraw/zinc/42/78/80/732427880.db2.gz BQFHVWCZBJETRY-HNNXBMFYSA-N 1 3 336.480 0.720 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(C)n1 ZINC000969955575 732560495 /nfs/dbraw/zinc/56/04/95/732560495.db2.gz PZYSYUDKWSYIIB-CZUORRHYSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(C)n1 ZINC000969955575 732560499 /nfs/dbraw/zinc/56/04/99/732560499.db2.gz PZYSYUDKWSYIIB-CZUORRHYSA-N 1 3 347.463 0.826 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CC(=O)NC3CC3)CC2)C1 ZINC001167232704 733077587 /nfs/dbraw/zinc/07/75/87/733077587.db2.gz NAYNZMBFMFLGBX-CQSZACIVSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(CCCN2CCCC2=O)C1 ZINC000970743585 733899899 /nfs/dbraw/zinc/89/98/99/733899899.db2.gz BGQXCVQMFMSEQY-OAHLLOKOSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C[C@@H]2CCc3ncnn32)C1 ZINC000970744607 733901392 /nfs/dbraw/zinc/90/13/92/733901392.db2.gz GMVLIDPAGLZKSN-ZFWWWQNUSA-N 1 3 344.463 0.298 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)c1 ZINC000970785816 733938766 /nfs/dbraw/zinc/93/87/66/733938766.db2.gz GHTVFQNHHBJSFS-CVEARBPZSA-N 1 3 330.432 0.441 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC000970801281 733951181 /nfs/dbraw/zinc/95/11/81/733951181.db2.gz WDMIJBJPZYPENQ-SJORKVTESA-N 1 3 348.495 0.960 20 0 ECADHO Cc1nn(C)cc1CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678695 733957485 /nfs/dbraw/zinc/95/74/85/733957485.db2.gz VLNUZGUCFMRSNB-MRXNPFEDSA-N 1 3 337.468 0.387 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291338 734004127 /nfs/dbraw/zinc/00/41/27/734004127.db2.gz MUJIYGTVSOPEOL-FRFSOERESA-N 1 3 338.496 0.537 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970866979 734026996 /nfs/dbraw/zinc/02/69/96/734026996.db2.gz AMRVAVYTRQNCLP-DZGCQCFKSA-N 1 3 332.448 0.274 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970866979 734027000 /nfs/dbraw/zinc/02/70/00/734027000.db2.gz AMRVAVYTRQNCLP-DZGCQCFKSA-N 1 3 332.448 0.274 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000971204513 734357726 /nfs/dbraw/zinc/35/77/26/734357726.db2.gz LQSTUQLEGRUFFU-CVEARBPZSA-N 1 3 334.468 0.522 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000971204513 734357732 /nfs/dbraw/zinc/35/77/32/734357732.db2.gz LQSTUQLEGRUFFU-CVEARBPZSA-N 1 3 334.468 0.522 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971543524 734732463 /nfs/dbraw/zinc/73/24/63/734732463.db2.gz RFKSWYMJRXXQAW-IAGOWNOFSA-N 1 3 348.491 0.483 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971678095 734941845 /nfs/dbraw/zinc/94/18/45/734941845.db2.gz MCIILGJKNKBDDP-DOTOQJQBSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001087175227 735117161 /nfs/dbraw/zinc/11/71/61/735117161.db2.gz BWSNHESXBDEVFT-KBMXLJTQSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001006408627 751359623 /nfs/dbraw/zinc/35/96/23/751359623.db2.gz UUQUHMMZOSIJLV-INIZCTEOSA-N 1 3 346.479 0.784 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001022976843 736351213 /nfs/dbraw/zinc/35/12/13/736351213.db2.gz KUXYIFBTJAMACB-MCIONIFRSA-N 1 3 349.431 0.727 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001022976843 736351215 /nfs/dbraw/zinc/35/12/15/736351215.db2.gz KUXYIFBTJAMACB-MCIONIFRSA-N 1 3 349.431 0.727 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)c1 ZINC001023126192 736521704 /nfs/dbraw/zinc/52/17/04/736521704.db2.gz MBRHLVRXOOZNDX-CALCHBBNSA-N 1 3 344.459 0.831 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN(CCn3cncn3)C2)CC[N@@H+]1C ZINC001023554558 736999128 /nfs/dbraw/zinc/99/91/28/736999128.db2.gz OAKRVROXKKQGBM-BBWFWOEESA-N 1 3 348.495 0.837 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN(CCn3cncn3)C2)CC[N@H+]1C ZINC001023554558 736999131 /nfs/dbraw/zinc/99/91/31/736999131.db2.gz OAKRVROXKKQGBM-BBWFWOEESA-N 1 3 348.495 0.837 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001023559912 737010933 /nfs/dbraw/zinc/01/09/33/737010933.db2.gz GUEGHJIZJYCOQG-ZFWWWQNUSA-N 1 3 348.447 0.672 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001023559912 737010935 /nfs/dbraw/zinc/01/09/35/737010935.db2.gz GUEGHJIZJYCOQG-ZFWWWQNUSA-N 1 3 348.447 0.672 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001067462574 737304629 /nfs/dbraw/zinc/30/46/29/737304629.db2.gz MKTGFIFCPKJUOZ-HZPDHXFCSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001067462574 737304630 /nfs/dbraw/zinc/30/46/30/737304630.db2.gz MKTGFIFCPKJUOZ-HZPDHXFCSA-N 1 3 338.496 0.587 20 0 ECADHO CN(CC(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001024017516 737620932 /nfs/dbraw/zinc/62/09/32/737620932.db2.gz FQICZNAKIKNKQO-CQSZACIVSA-N 1 3 334.468 0.628 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001024017582 737621382 /nfs/dbraw/zinc/62/13/82/737621382.db2.gz GSKQFEBHMZGYBR-RHSMWYFYSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNCc3nncn3C)C2)C1 ZINC001024157042 737787929 /nfs/dbraw/zinc/78/79/29/737787929.db2.gz WIRUQDWPRCPWMJ-GJZGRUSLSA-N 1 3 334.468 0.485 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNCc3nncn3C)C2)C1 ZINC001024157042 737787931 /nfs/dbraw/zinc/78/79/31/737787931.db2.gz WIRUQDWPRCPWMJ-GJZGRUSLSA-N 1 3 334.468 0.485 20 0 ECADHO CC[C@@H]([NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001100681434 738085666 /nfs/dbraw/zinc/08/56/66/738085666.db2.gz JJHXHCVEQCZOPZ-JXQTWKCFSA-N 1 3 326.485 0.713 20 0 ECADHO O=C(NC[C@H]1CCCC[N@H+]1CCCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001024561576 738108629 /nfs/dbraw/zinc/10/86/29/738108629.db2.gz SFOPUDLUPUALOK-GARNVTTQSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(NC[C@H]1CCCC[N@@H+]1CCCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001024561576 738108632 /nfs/dbraw/zinc/10/86/32/738108632.db2.gz SFOPUDLUPUALOK-GARNVTTQSA-N 1 3 337.464 0.203 20 0 ECADHO COCCN1CCCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024701756 738231202 /nfs/dbraw/zinc/23/12/02/738231202.db2.gz JRJBJMRWIKMAEF-INIZCTEOSA-N 1 3 337.468 0.675 20 0 ECADHO Cn1nccc1CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024800398 738305819 /nfs/dbraw/zinc/30/58/19/738305819.db2.gz DUXILXZLWZCSGU-DOTOQJQBSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024800398 738305820 /nfs/dbraw/zinc/30/58/20/738305820.db2.gz DUXILXZLWZCSGU-DOTOQJQBSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024800400 738306167 /nfs/dbraw/zinc/30/61/67/738306167.db2.gz DUXILXZLWZCSGU-NVXWUHKLSA-N 1 3 333.480 0.885 20 0 ECADHO Cn1nccc1CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024800400 738306170 /nfs/dbraw/zinc/30/61/70/738306170.db2.gz DUXILXZLWZCSGU-NVXWUHKLSA-N 1 3 333.480 0.885 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000973313007 739090048 /nfs/dbraw/zinc/09/00/48/739090048.db2.gz ZXBWKPLQWFDTOC-DZUCGIPZSA-N 1 3 348.491 0.576 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000973488506 739386164 /nfs/dbraw/zinc/38/61/64/739386164.db2.gz CYMIAGGVTLPNEY-MXAVVETBSA-N 1 3 347.463 0.754 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000973488506 739386168 /nfs/dbraw/zinc/38/61/68/739386168.db2.gz CYMIAGGVTLPNEY-MXAVVETBSA-N 1 3 347.463 0.754 20 0 ECADHO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001026043247 740334413 /nfs/dbraw/zinc/33/44/13/740334413.db2.gz GSYQPPRURWDTCV-CNUKPYSBSA-N 1 3 327.444 0.626 20 0 ECADHO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001026043247 740334416 /nfs/dbraw/zinc/33/44/16/740334416.db2.gz GSYQPPRURWDTCV-CNUKPYSBSA-N 1 3 327.444 0.626 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026043465 740335825 /nfs/dbraw/zinc/33/58/25/740335825.db2.gz ZBWPAXZGGMBULK-POORBHPNSA-N 1 3 348.491 0.433 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026043465 740335829 /nfs/dbraw/zinc/33/58/29/740335829.db2.gz ZBWPAXZGGMBULK-POORBHPNSA-N 1 3 348.491 0.433 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001026148647 740423484 /nfs/dbraw/zinc/42/34/84/740423484.db2.gz WYNJLAOYTBQTPY-QZIVSUOLSA-N 1 3 345.491 0.882 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001026148647 740423488 /nfs/dbraw/zinc/42/34/88/740423488.db2.gz WYNJLAOYTBQTPY-QZIVSUOLSA-N 1 3 345.491 0.882 20 0 ECADHO C[C@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC2(CC[NH+](CCO)CC2)O1 ZINC001098607130 740440233 /nfs/dbraw/zinc/44/02/33/740440233.db2.gz YWMGWZLSOYIUQE-HOCLYGCPSA-N 1 3 339.480 0.401 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001104812548 740555827 /nfs/dbraw/zinc/55/58/27/740555827.db2.gz RTXDTVOZXXAHKO-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001104813118 740564960 /nfs/dbraw/zinc/56/49/60/740564960.db2.gz YZKLJIIGXYGRJL-HZPDHXFCSA-N 1 3 336.484 0.694 20 0 ECADHO CC1CCN(CC(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CC1 ZINC001087398643 740776291 /nfs/dbraw/zinc/77/62/91/740776291.db2.gz DLRYVQSGQZVODU-FJIDUMEYSA-N 1 3 335.492 0.879 20 0 ECADHO CC1CCN(CC(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)CC1 ZINC001087398643 740776294 /nfs/dbraw/zinc/77/62/94/740776294.db2.gz DLRYVQSGQZVODU-FJIDUMEYSA-N 1 3 335.492 0.879 20 0 ECADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CCNCc1cnnn1C ZINC001104907974 740900307 /nfs/dbraw/zinc/90/03/07/740900307.db2.gz CLTMJBPLOBRROZ-OWCLPIDISA-N 1 3 348.495 0.731 20 0 ECADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CCNCc1cnnn1C ZINC001104907974 740900313 /nfs/dbraw/zinc/90/03/13/740900313.db2.gz CLTMJBPLOBRROZ-OWCLPIDISA-N 1 3 348.495 0.731 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@H]([NH2+]CCn3cncn3)[C@H]2C1 ZINC001026366221 741068844 /nfs/dbraw/zinc/06/88/44/741068844.db2.gz IBZZUEQZWZQZCX-QEJZJMRPSA-N 1 3 329.408 0.071 20 0 ECADHO Cn1ccnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]12 ZINC001026401101 741237627 /nfs/dbraw/zinc/23/76/27/741237627.db2.gz UXMBEVGEDUNKGX-OWCLPIDISA-N 1 3 343.475 0.843 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)[C@@H]1CCCN1C ZINC000988148885 751618872 /nfs/dbraw/zinc/61/88/72/751618872.db2.gz TVPUZKRSUKSBCW-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001105064302 741272711 /nfs/dbraw/zinc/27/27/11/741272711.db2.gz IMVHOXLUDZDCGY-HUUCEWRRSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064361 741273557 /nfs/dbraw/zinc/27/35/57/741273557.db2.gz LFLXPVVJJAZOBY-HZPDHXFCSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000974322875 741310725 /nfs/dbraw/zinc/31/07/25/741310725.db2.gz DJQHDJFVUFTMJK-OAGGEKHMSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000974326472 741321732 /nfs/dbraw/zinc/32/17/32/741321732.db2.gz KHBSLCHHCWIZNJ-KFWWJZLASA-N 1 3 334.464 0.187 20 0 ECADHO Cn1ccnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCCC3)C[C@@H]21 ZINC001026421576 741338059 /nfs/dbraw/zinc/33/80/59/741338059.db2.gz UPOYWKHTCYXWNW-HRCADAONSA-N 1 3 331.464 0.843 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)Cc1c[nH]cn1 ZINC000988187562 751642453 /nfs/dbraw/zinc/64/24/53/751642453.db2.gz CVCWFCGUHRRLHH-KCXAZCMYSA-N 1 3 345.447 0.400 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)C1 ZINC000982150774 751657511 /nfs/dbraw/zinc/65/75/11/751657511.db2.gz UXDXQUSTBACLBV-HNNXBMFYSA-N 1 3 332.452 0.154 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)C1 ZINC000982150774 751657514 /nfs/dbraw/zinc/65/75/14/751657514.db2.gz UXDXQUSTBACLBV-HNNXBMFYSA-N 1 3 332.452 0.154 20 0 ECADHO COc1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)n1 ZINC001026734776 741741175 /nfs/dbraw/zinc/74/11/75/741741175.db2.gz SZUBUNYMCRFYBC-HOCLYGCPSA-N 1 3 347.463 0.826 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000974579620 741917219 /nfs/dbraw/zinc/91/72/19/741917219.db2.gz DGKWREVLFAVWIY-IIAWOOMASA-N 1 3 345.447 0.353 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000974579620 741917225 /nfs/dbraw/zinc/91/72/25/741917225.db2.gz DGKWREVLFAVWIY-IIAWOOMASA-N 1 3 345.447 0.353 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001026885276 742025491 /nfs/dbraw/zinc/02/54/91/742025491.db2.gz HSUIZLUZRLJZJM-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001026887037 742042401 /nfs/dbraw/zinc/04/24/01/742042401.db2.gz KIDBGXHITMHOQT-CJNGLKHVSA-N 1 3 334.468 0.576 20 0 ECADHO O=C(c1ccn2cncc2c1)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001026941276 742148607 /nfs/dbraw/zinc/14/86/07/742148607.db2.gz DVTJKLYOQQQFKQ-LBPRGKRZSA-N 1 3 326.360 0.969 20 0 ECADHO CCn1c(C)nnc1CNC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001027065096 742435310 /nfs/dbraw/zinc/43/53/10/742435310.db2.gz QYECJRGNXLWBFM-GOEBONIOSA-N 1 3 348.495 0.886 20 0 ECADHO CCn1c(C)nnc1CNC[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001027065096 742435313 /nfs/dbraw/zinc/43/53/13/742435313.db2.gz QYECJRGNXLWBFM-GOEBONIOSA-N 1 3 348.495 0.886 20 0 ECADHO Cn1cc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001027065924 742438564 /nfs/dbraw/zinc/43/85/64/742438564.db2.gz HJIMYNYYZIUOLQ-AWEZNQCLSA-N 1 3 334.468 0.485 20 0 ECADHO Cn1cc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC001027065924 742438567 /nfs/dbraw/zinc/43/85/67/742438567.db2.gz HJIMYNYYZIUOLQ-AWEZNQCLSA-N 1 3 334.468 0.485 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000975306017 742707691 /nfs/dbraw/zinc/70/76/91/742707691.db2.gz DZHHOYMCMCZLLZ-IIAWOOMASA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000975306017 742707698 /nfs/dbraw/zinc/70/76/98/742707698.db2.gz DZHHOYMCMCZLLZ-IIAWOOMASA-N 1 3 347.463 0.647 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170084 742960603 /nfs/dbraw/zinc/96/06/03/742960603.db2.gz BTWISTMREKCIFC-LSDHHAIUSA-N 1 3 347.463 0.765 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170084 742960607 /nfs/dbraw/zinc/96/06/07/742960607.db2.gz BTWISTMREKCIFC-LSDHHAIUSA-N 1 3 347.463 0.765 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000996966158 743078874 /nfs/dbraw/zinc/07/88/74/743078874.db2.gz QQVZEOMBKJUDRV-HZPDHXFCSA-N 1 3 338.496 0.774 20 0 ECADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC000997188033 743331535 /nfs/dbraw/zinc/33/15/35/743331535.db2.gz OBGSKPOCCTXVFW-GFCCVEGCSA-N 1 3 332.452 0.851 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997314375 743479540 /nfs/dbraw/zinc/47/95/40/743479540.db2.gz XHJDHQUDNJTGEQ-HNNXBMFYSA-N 1 3 347.463 0.526 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CC1 ZINC000997393813 743565754 /nfs/dbraw/zinc/56/57/54/743565754.db2.gz QNDNKSDNRHVHBW-HNNXBMFYSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976663909 744196351 /nfs/dbraw/zinc/19/63/51/744196351.db2.gz UQLKRRJIIFUFOS-FYVBOJDISA-N 1 3 348.491 0.528 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976663909 744196355 /nfs/dbraw/zinc/19/63/55/744196355.db2.gz UQLKRRJIIFUFOS-FYVBOJDISA-N 1 3 348.491 0.528 20 0 ECADHO O=C(CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC000999167633 744545526 /nfs/dbraw/zinc/54/55/26/744545526.db2.gz BMWKGMZJZULVTE-HOTGVXAUSA-N 1 3 334.464 0.141 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC000999363140 744654855 /nfs/dbraw/zinc/65/48/55/744654855.db2.gz CELLXTTYEYLZMA-IRXDYDNUSA-N 1 3 348.495 0.816 20 0 ECADHO C[N@H+]([C@@H]1CCNC1=O)[C@@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC001027481471 744730500 /nfs/dbraw/zinc/73/05/00/744730500.db2.gz RYOPBETVXAWSRH-GDBMZVCRSA-N 1 3 341.415 0.759 20 0 ECADHO C[N@@H+]([C@@H]1CCNC1=O)[C@@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC001027481471 744730503 /nfs/dbraw/zinc/73/05/03/744730503.db2.gz RYOPBETVXAWSRH-GDBMZVCRSA-N 1 3 341.415 0.759 20 0 ECADHO C[N@H+]([C@H]1CCNC1=O)[C@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC001027481473 744730652 /nfs/dbraw/zinc/73/06/52/744730652.db2.gz RYOPBETVXAWSRH-HOCLYGCPSA-N 1 3 341.415 0.759 20 0 ECADHO C[N@@H+]([C@H]1CCNC1=O)[C@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC001027481473 744730655 /nfs/dbraw/zinc/73/06/55/744730655.db2.gz RYOPBETVXAWSRH-HOCLYGCPSA-N 1 3 341.415 0.759 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)CC[N@@H+]1C ZINC000977209090 744781850 /nfs/dbraw/zinc/78/18/50/744781850.db2.gz PCHXXMJWBDDIPZ-PTENTFFRSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)CC[N@H+]1C ZINC000977209090 744781851 /nfs/dbraw/zinc/78/18/51/744781851.db2.gz PCHXXMJWBDDIPZ-PTENTFFRSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999846000 744938252 /nfs/dbraw/zinc/93/82/52/744938252.db2.gz JXDMIAFSYMYTFW-CQSZACIVSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000999868177 744968131 /nfs/dbraw/zinc/96/81/31/744968131.db2.gz DLOADFJAGCZXID-AWEZNQCLSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000999906179 745044848 /nfs/dbraw/zinc/04/48/48/745044848.db2.gz UOBTXZIFOQJLSM-HIFRSBDPSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000999906179 745044854 /nfs/dbraw/zinc/04/48/54/745044854.db2.gz UOBTXZIFOQJLSM-HIFRSBDPSA-N 1 3 336.480 0.243 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@@H](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC001029152811 745174972 /nfs/dbraw/zinc/17/49/72/745174972.db2.gz JXCOCVXLLNIFTQ-XJKSGUPXSA-N 1 3 347.463 0.790 20 0 ECADHO CCN1CC[C@@H](N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000079068 745247790 /nfs/dbraw/zinc/24/77/90/745247790.db2.gz TWJWBWAJDMOUEN-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001000193342 745328957 /nfs/dbraw/zinc/32/89/57/745328957.db2.gz PMYQHEVTXIYSDD-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO NC(=O)CN1CCC(C2(NC(=O)c3ccn4c[nH+]cc4c3)CC2)CC1 ZINC001000203063 745343747 /nfs/dbraw/zinc/34/37/47/745343747.db2.gz PLMGDXWWAQHOHP-UHFFFAOYSA-N 1 3 341.415 0.794 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001000204714 745345538 /nfs/dbraw/zinc/34/55/38/745345538.db2.gz NHZWPUJQODIJOE-UHFFFAOYSA-N 1 3 345.447 0.401 20 0 ECADHO CN(C[C@H]1CCN1C(=O)CN(C)C1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000977778664 745498824 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CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001050144876 759796319 /nfs/dbraw/zinc/79/63/19/759796319.db2.gz QVUJOYRABJNGIR-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001050144876 759796325 /nfs/dbraw/zinc/79/63/25/759796325.db2.gz QVUJOYRABJNGIR-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048040316 759871599 /nfs/dbraw/zinc/87/15/99/759871599.db2.gz SBBNUXZWYJDJGX-UONOGXRCSA-N 1 3 332.452 0.238 20 0 ECADHO Cn1cc(CNC[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001050386718 760214579 /nfs/dbraw/zinc/21/45/79/760214579.db2.gz UOBRYXCPKAKEJO-JYJNAYRXSA-N 1 3 348.495 0.922 20 0 ECADHO Cn1cc(CNC[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001050386718 760214583 /nfs/dbraw/zinc/21/45/83/760214583.db2.gz UOBRYXCPKAKEJO-JYJNAYRXSA-N 1 3 348.495 0.922 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)CC[N@@H+]1C ZINC001050523402 760427092 /nfs/dbraw/zinc/42/70/92/760427092.db2.gz BVWBHTPWPDSBMX-OAGGEKHMSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)CC[N@H+]1C ZINC001050523402 760427095 /nfs/dbraw/zinc/42/70/95/760427095.db2.gz BVWBHTPWPDSBMX-OAGGEKHMSA-N 1 3 348.491 0.530 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2)C1CC1 ZINC001050545929 760466602 /nfs/dbraw/zinc/46/66/02/760466602.db2.gz IEOMSDBYZJWEDS-CABCVRRESA-N 1 3 334.464 0.140 20 0 ECADHO Cc1nnc(CNC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)[nH]1 ZINC001048437088 760526507 /nfs/dbraw/zinc/52/65/07/760526507.db2.gz ACUMAYNFQXZOPC-OCCSQVGLSA-N 1 3 332.452 0.393 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)CC1 ZINC001050643683 760620195 /nfs/dbraw/zinc/62/01/95/760620195.db2.gz LCOGVUIJQXEPBB-INIZCTEOSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)C1 ZINC001050661839 760636942 /nfs/dbraw/zinc/63/69/42/760636942.db2.gz DISLCKMUVQSBNC-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)C1 ZINC001050661839 760636944 /nfs/dbraw/zinc/63/69/44/760636944.db2.gz DISLCKMUVQSBNC-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CC[C@H](N2CCC3(CN(C(=O)C[C@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050729775 760743538 /nfs/dbraw/zinc/74/35/38/760743538.db2.gz BNGBHTUZTAFTSQ-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CC[C@H](N2CCC3(CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050729775 760743543 /nfs/dbraw/zinc/74/35/43/760743543.db2.gz BNGBHTUZTAFTSQ-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CCn3cncn3)C(C)(C)C2)CCC1 ZINC000995889943 760770513 /nfs/dbraw/zinc/77/05/13/760770513.db2.gz XHFSRPVDDWISKY-CQSZACIVSA-N 1 3 334.468 0.589 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1)C1CC1 ZINC000991440817 760957837 /nfs/dbraw/zinc/95/78/37/760957837.db2.gz LELSSDAFNXTYPR-QGZVFWFLSA-N 1 3 336.480 0.386 20 0 ECADHO CC[C@@H](CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)OC ZINC001014460823 762717173 /nfs/dbraw/zinc/71/71/73/762717173.db2.gz NNUFHOZYZHPGCT-GJZGRUSLSA-N 1 3 337.468 0.674 20 0 ECADHO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CCO2)cn1 ZINC001051824686 763051529 /nfs/dbraw/zinc/05/15/29/763051529.db2.gz MLTLJFCABUHORP-MRXNPFEDSA-N 1 3 349.479 0.469 20 0 ECADHO CC(C)(C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)N1CCCCC1 ZINC001127317773 768105000 /nfs/dbraw/zinc/10/50/00/768105000.db2.gz WVHWNJZOHMMEQG-UHFFFAOYSA-N 1 3 338.452 0.106 20 0 ECADHO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001089850081 763178578 /nfs/dbraw/zinc/17/85/78/763178578.db2.gz LVDHDTDAXICJSU-QAETUUGQSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2ccccc2)CC[N@@H+]1C ZINC001127686288 763455241 /nfs/dbraw/zinc/45/52/41/763455241.db2.gz YHRYZDPOUSJDJZ-GDBMZVCRSA-N 1 3 332.448 0.349 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2ccccc2)CC[N@H+]1C ZINC001127686288 763455245 /nfs/dbraw/zinc/45/52/45/763455245.db2.gz YHRYZDPOUSJDJZ-GDBMZVCRSA-N 1 3 332.448 0.349 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@H](N3CCN(CC4CC4)CC3)C2)CC1 ZINC001052073967 763778380 /nfs/dbraw/zinc/77/83/80/763778380.db2.gz QLSILFOOXCRLQZ-SFHVURJKSA-N 1 3 334.508 0.957 20 0 ECADHO O=C(N1CC[C@H](N2CCN(CC3CC3)CC2)C1)C12CC[NH+](CC1)C2 ZINC001052108217 763890672 /nfs/dbraw/zinc/89/06/72/763890672.db2.gz KYIPCSNDOGVPKY-KRWDZBQOSA-N 1 3 332.492 0.711 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CCC1 ZINC000991886940 764330623 /nfs/dbraw/zinc/33/06/23/764330623.db2.gz DSIACKUTCBQBOD-HNNXBMFYSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001054739389 768215393 /nfs/dbraw/zinc/21/53/93/768215393.db2.gz SFUVUQVFDDJSAU-GDBMZVCRSA-N 1 3 333.480 0.883 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CCC1 ZINC000991894892 764458272 /nfs/dbraw/zinc/45/82/72/764458272.db2.gz QUGHQPYEUZZFOI-MRXNPFEDSA-N 1 3 334.464 0.140 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001047539775 764633127 /nfs/dbraw/zinc/63/31/27/764633127.db2.gz LPIXADAXMSDPDD-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](CN1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1)OC ZINC001047553459 764675556 /nfs/dbraw/zinc/67/55/56/764675556.db2.gz HGMPGVDYTSFSED-ULQDDVLXSA-N 1 3 341.496 0.647 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)C1 ZINC001060408251 764738023 /nfs/dbraw/zinc/73/80/23/764738023.db2.gz GCEDDBFDJUEHGO-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO O=C(NCC1CN(C[C@@H](O)Cc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001032130011 764760791 /nfs/dbraw/zinc/76/07/91/764760791.db2.gz DELSHIODYYAQHE-SFHVURJKSA-N 1 3 343.471 0.734 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001052662963 764958672 /nfs/dbraw/zinc/95/86/72/764958672.db2.gz XYQDXBLRYAQBPO-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO CN1CC[C@H](N2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001052680331 764986552 /nfs/dbraw/zinc/98/65/52/764986552.db2.gz JBJXVDWBOLFJTG-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cc(CCN2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001015796929 765336101 /nfs/dbraw/zinc/33/61/01/765336101.db2.gz TWIYMOFFNXBLRH-QGZVFWFLSA-N 1 3 333.480 0.885 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001077496648 765662283 /nfs/dbraw/zinc/66/22/83/765662283.db2.gz DEVRGJFVIPJDCP-JSGCOSHPSA-N 1 3 335.452 0.613 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077496648 765662287 /nfs/dbraw/zinc/66/22/87/765662287.db2.gz DEVRGJFVIPJDCP-JSGCOSHPSA-N 1 3 335.452 0.613 20 0 ECADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001053349520 766012212 /nfs/dbraw/zinc/01/22/12/766012212.db2.gz BXOJZPHNUDIHHA-HUUCEWRRSA-N 1 3 326.485 0.491 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001053442184 766138929 /nfs/dbraw/zinc/13/89/29/766138929.db2.gz GSQBDZTZUUMVPR-HZPDHXFCSA-N 1 3 340.512 0.879 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001053442184 766138931 /nfs/dbraw/zinc/13/89/31/766138931.db2.gz GSQBDZTZUUMVPR-HZPDHXFCSA-N 1 3 340.512 0.879 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC000992400150 766484451 /nfs/dbraw/zinc/48/44/51/766484451.db2.gz MHJDYZNCCURKCF-XHSDSOJGSA-N 1 3 336.480 0.384 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC000992400150 766484454 /nfs/dbraw/zinc/48/44/54/766484454.db2.gz MHJDYZNCCURKCF-XHSDSOJGSA-N 1 3 336.480 0.384 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089593781 766576048 /nfs/dbraw/zinc/57/60/48/766576048.db2.gz SYJQTQSXGFPLPD-GOEBONIOSA-N 1 3 332.452 0.503 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089593781 766576057 /nfs/dbraw/zinc/57/60/57/766576057.db2.gz SYJQTQSXGFPLPD-GOEBONIOSA-N 1 3 332.452 0.503 20 0 ECADHO O=C(C[NH+]1CCCC1)N[C@@]12CCC[C@H]1N(CC(=O)N1CCC1)CC2 ZINC000992483622 766683921 /nfs/dbraw/zinc/68/39/21/766683921.db2.gz FZUSULSFOUJVTL-CRAIPNDOSA-N 1 3 334.464 0.428 20 0 ECADHO COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046036685 766728108 /nfs/dbraw/zinc/72/81/08/766728108.db2.gz DXXLXLMOTOGWNL-SJORKVTESA-N 1 3 340.512 0.438 20 0 ECADHO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046036685 766728119 /nfs/dbraw/zinc/72/81/19/766728119.db2.gz DXXLXLMOTOGWNL-SJORKVTESA-N 1 3 340.512 0.438 20 0 ECADHO CC[C@H](C(=O)N1CCN([C@H]2CC[N@H+](CCCF)C2)CC1)N(C)C ZINC001046039091 766740492 /nfs/dbraw/zinc/74/04/92/766740492.db2.gz RMRQLHGKAJLQKR-JKSUJKDBSA-N 1 3 328.476 0.905 20 0 ECADHO CC[C@H](C(=O)N1CCN([C@H]2CC[N@@H+](CCCF)C2)CC1)N(C)C ZINC001046039091 766740495 /nfs/dbraw/zinc/74/04/95/766740495.db2.gz RMRQLHGKAJLQKR-JKSUJKDBSA-N 1 3 328.476 0.905 20 0 ECADHO COC[C@@H](C)[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081700 766920210 /nfs/dbraw/zinc/92/02/10/766920210.db2.gz JGMVWQDIZPNFGV-IAGOWNOFSA-N 1 3 338.496 0.336 20 0 ECADHO COC[C@@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081700 766920212 /nfs/dbraw/zinc/92/02/12/766920212.db2.gz JGMVWQDIZPNFGV-IAGOWNOFSA-N 1 3 338.496 0.336 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CCC1 ZINC000994854862 767036963 /nfs/dbraw/zinc/03/69/63/767036963.db2.gz NHJWRMGMKJUPBO-CVEARBPZSA-N 1 3 348.491 0.815 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CCC1 ZINC000994854862 767036973 /nfs/dbraw/zinc/03/69/73/767036973.db2.gz NHJWRMGMKJUPBO-CVEARBPZSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000938825202 767123837 /nfs/dbraw/zinc/12/38/37/767123837.db2.gz RDEUNLITWZUSIM-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)[NH+](C)C ZINC000938827243 767125668 /nfs/dbraw/zinc/12/56/68/767125668.db2.gz QUNQQOXHUKTUBO-HLLBOEOZSA-N 1 3 338.496 0.632 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106910779 767151667 /nfs/dbraw/zinc/15/16/67/767151667.db2.gz OHSLNZRIBFVJDW-HUUCEWRRSA-N 1 3 326.485 0.539 20 0 ECADHO CCCCNCc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780176 767260619 /nfs/dbraw/zinc/26/06/19/767260619.db2.gz RJKOYJLGSKFHPW-HOCLYGCPSA-N 1 3 334.468 0.893 20 0 ECADHO CCCCNCc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780176 767260622 /nfs/dbraw/zinc/26/06/22/767260622.db2.gz RJKOYJLGSKFHPW-HOCLYGCPSA-N 1 3 334.468 0.893 20 0 ECADHO CC(C)CN(C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001127643629 767389355 /nfs/dbraw/zinc/38/93/55/767389355.db2.gz DSPYGFBFNNBHPN-GDBMZVCRSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)CN(C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001127643629 767389366 /nfs/dbraw/zinc/38/93/66/767389366.db2.gz DSPYGFBFNNBHPN-GDBMZVCRSA-N 1 3 338.496 0.679 20 0 ECADHO CN(C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC001017198634 767715559 /nfs/dbraw/zinc/71/55/59/767715559.db2.gz WFRIWWAKWBZFHW-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCn3cncn3)C2)C1)N(C)C ZINC001054152447 767747195 /nfs/dbraw/zinc/74/71/95/767747195.db2.gz DVOCITYEPFUWAX-SJLPKXTDSA-N 1 3 348.495 0.933 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1)N(C)C ZINC001054152447 767747198 /nfs/dbraw/zinc/74/71/98/767747198.db2.gz DVOCITYEPFUWAX-SJLPKXTDSA-N 1 3 348.495 0.933 20 0 ECADHO Cn1cnnc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000992909454 767780203 /nfs/dbraw/zinc/78/02/03/767780203.db2.gz QTTFOQOIFICAKX-BZUAXINKSA-N 1 3 346.479 0.628 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NC1CC1 ZINC001127357102 768464902 /nfs/dbraw/zinc/46/49/02/768464902.db2.gz ROMQYESBLZWYBY-CQSZACIVSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NC1CC1 ZINC001127357102 768464905 /nfs/dbraw/zinc/46/49/05/768464905.db2.gz ROMQYESBLZWYBY-CQSZACIVSA-N 1 3 336.480 0.625 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1)N(C)C ZINC001106635229 768537871 /nfs/dbraw/zinc/53/78/71/768537871.db2.gz USQRKWVUNVFXCN-CKEIUWERSA-N 1 3 338.496 0.535 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCn3cccn3)[C@H](C)C2)C1 ZINC001106666562 768579602 /nfs/dbraw/zinc/57/96/02/768579602.db2.gz OPKYVUCQPPXHDD-BRWVUGGUSA-N 1 3 333.480 0.909 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106704842 768693396 /nfs/dbraw/zinc/69/33/96/768693396.db2.gz FAYRKCFJCRSSRB-UKRRQHHQSA-N 1 3 347.463 0.553 20 0 ECADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779781 768937587 /nfs/dbraw/zinc/93/75/87/768937587.db2.gz VZFZVXJTSRZVHN-BZUAXINKSA-N 1 3 340.512 0.927 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1 ZINC000993499927 769179651 /nfs/dbraw/zinc/17/96/51/769179651.db2.gz CQVRWMLCNKCFBW-QWQRMKEZSA-N 1 3 345.447 0.211 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1 ZINC000993499927 769179655 /nfs/dbraw/zinc/17/96/55/769179655.db2.gz CQVRWMLCNKCFBW-QWQRMKEZSA-N 1 3 345.447 0.211 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000993806766 769651281 /nfs/dbraw/zinc/65/12/81/769651281.db2.gz NZWDKHZERYVJEA-IAGOWNOFSA-N 1 3 348.491 0.530 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000993806773 769651681 /nfs/dbraw/zinc/65/16/81/769651681.db2.gz NZWDKHZERYVJEA-SJORKVTESA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000993863400 769714819 /nfs/dbraw/zinc/71/48/19/769714819.db2.gz IRQREZQUACUCLS-OAHLLOKOSA-N 1 3 334.464 0.284 20 0 ECADHO CN(C)Cc1ccccc1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000993872319 769768905 /nfs/dbraw/zinc/76/89/05/769768905.db2.gz DMJFPZDHCULXGQ-OAHLLOKOSA-N 1 3 344.459 0.641 20 0 ECADHO CN(C)Cc1ccccc1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993872319 769768911 /nfs/dbraw/zinc/76/89/11/769768911.db2.gz DMJFPZDHCULXGQ-OAHLLOKOSA-N 1 3 344.459 0.641 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000993866968 769817676 /nfs/dbraw/zinc/81/76/76/769817676.db2.gz SBDFQUFYPGSYOF-INIZCTEOSA-N 1 3 348.491 0.816 20 0 ECADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001018857296 770109538 /nfs/dbraw/zinc/10/95/38/770109538.db2.gz SYAWIRVKNLORKK-DLBZAZTESA-N 1 3 331.464 0.761 20 0 ECADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H](NCCF)C2)CC1 ZINC001018858901 770115599 /nfs/dbraw/zinc/11/55/99/770115599.db2.gz NHIBSEVKKOYDKR-XHSDSOJGSA-N 1 3 327.444 0.893 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)CCC1 ZINC001018963298 770412289 /nfs/dbraw/zinc/41/22/89/770412289.db2.gz IVZQYOLIIVZOEN-KBPBESRZSA-N 1 3 332.452 0.440 20 0 ECADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)C1CCC1 ZINC001018971512 770432433 /nfs/dbraw/zinc/43/24/33/770432433.db2.gz DJPSLCJPGWTVPX-HNNXBMFYSA-N 1 3 332.448 0.560 20 0 ECADHO CN(CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C2)C1CCC1 ZINC001019121768 770858671 /nfs/dbraw/zinc/85/86/71/770858671.db2.gz JDLCDFVMNRUXBJ-HNNXBMFYSA-N 1 3 348.491 0.483 20 0 ECADHO CN(CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2)C1CCC1 ZINC001019121768 770858684 /nfs/dbraw/zinc/85/86/84/770858684.db2.gz JDLCDFVMNRUXBJ-HNNXBMFYSA-N 1 3 348.491 0.483 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001019274809 771086814 /nfs/dbraw/zinc/08/68/14/771086814.db2.gz QAPOVZXAWJXVFS-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001019274809 771086819 /nfs/dbraw/zinc/08/68/19/771086819.db2.gz QAPOVZXAWJXVFS-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1=O ZINC001019381855 771229057 /nfs/dbraw/zinc/22/90/57/771229057.db2.gz YWWPNNUGUDQKAU-KBPBESRZSA-N 1 3 349.431 0.823 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1=O ZINC001019381855 771229061 /nfs/dbraw/zinc/22/90/61/771229061.db2.gz YWWPNNUGUDQKAU-KBPBESRZSA-N 1 3 349.431 0.823 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)n1 ZINC001019382894 771230146 /nfs/dbraw/zinc/23/01/46/771230146.db2.gz OEUMQDCYXJDTJC-CJNGLKHVSA-N 1 3 334.468 0.427 20 0 ECADHO C[C@@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)N1CCCCC1 ZINC001127466512 771284658 /nfs/dbraw/zinc/28/46/58/771284658.db2.gz TXJVAOYZTYWUKZ-GDBMZVCRSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)N(C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001127475137 771305668 /nfs/dbraw/zinc/30/56/68/771305668.db2.gz RIWUHXZWUYWPAC-INIZCTEOSA-N 1 3 338.496 0.679 20 0 ECADHO Cn1cc(CN[C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)cn1 ZINC001019496044 771364350 /nfs/dbraw/zinc/36/43/50/771364350.db2.gz KQHSPGDYLBMXIG-INIZCTEOSA-N 1 3 345.451 0.183 20 0 ECADHO CN(C)Cc1ccsc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001020207577 772283877 /nfs/dbraw/zinc/28/38/77/772283877.db2.gz JLMFELILOHYBDN-JOCQHMNTSA-N 1 3 348.476 0.989 20 0 ECADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001078472763 783017827 /nfs/dbraw/zinc/01/78/27/783017827.db2.gz GZDWDDYOMVZGQW-CABCVRRESA-N 1 3 336.480 0.435 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001040638783 783154802 /nfs/dbraw/zinc/15/48/02/783154802.db2.gz QUMJTLJRGRKKHT-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001045039817 774883392 /nfs/dbraw/zinc/88/33/92/774883392.db2.gz OVZMDDWBUDDJFZ-DLBZAZTESA-N 1 3 331.464 0.843 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001045187069 775108506 /nfs/dbraw/zinc/10/85/06/775108506.db2.gz BTSXNXAFVZAHCR-GOEBONIOSA-N 1 3 336.484 0.965 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001045200329 775127633 /nfs/dbraw/zinc/12/76/33/775127633.db2.gz UWORBUOMUIBFIM-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001079945830 777127860 /nfs/dbraw/zinc/12/78/60/777127860.db2.gz XDYRUEFEWVHLOP-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001080147562 777466214 /nfs/dbraw/zinc/46/62/14/777466214.db2.gz DWEMZBYIDWJYFX-HNNXBMFYSA-N 1 3 326.485 0.728 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNCc3cccnc3)C2)C1 ZINC001078508561 780050923 /nfs/dbraw/zinc/05/09/23/780050923.db2.gz SIDWJZCQMZCWPX-IAGOWNOFSA-N 1 3 332.448 0.740 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNCc3cccnc3)C2)C1 ZINC001078508561 780050933 /nfs/dbraw/zinc/05/09/33/780050933.db2.gz SIDWJZCQMZCWPX-IAGOWNOFSA-N 1 3 332.448 0.740 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)c1 ZINC001078820682 780536460 /nfs/dbraw/zinc/53/64/60/780536460.db2.gz YWBNTFNFDUHJMB-HOTGVXAUSA-N 1 3 344.459 0.864 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001079092683 780757326 /nfs/dbraw/zinc/75/73/26/780757326.db2.gz IQNVHVRNSZFXRW-OAHLLOKOSA-N 1 3 335.452 0.743 20 0 ECADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001070191914 783625400 /nfs/dbraw/zinc/62/54/00/783625400.db2.gz ZTECBKJKUXTWRJ-OAGGEKHMSA-N 1 3 334.468 0.902 20 0 ECADHO CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1NCc1nncn1C ZINC001037924851 783705713 /nfs/dbraw/zinc/70/57/13/783705713.db2.gz MAIRVUQZPRTZQG-ZBFHGGJFSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070273879 783778257 /nfs/dbraw/zinc/77/82/57/783778257.db2.gz JRRTXIDQJAOCRA-BMFZPTHFSA-N 1 3 332.452 0.514 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001070926849 784130144 /nfs/dbraw/zinc/13/01/44/784130144.db2.gz QGEVRARGXFSNGA-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001070926849 784130141 /nfs/dbraw/zinc/13/01/41/784130141.db2.gz QGEVRARGXFSNGA-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CN(CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001070756624 784657526 /nfs/dbraw/zinc/65/75/26/784657526.db2.gz XAOOKOQZIUBFIA-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001070756624 784657531 /nfs/dbraw/zinc/65/75/31/784657531.db2.gz XAOOKOQZIUBFIA-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@]2(CCN(CCO)C2)O1 ZINC001071186280 784691208 /nfs/dbraw/zinc/69/12/08/784691208.db2.gz TWWOBSULVLRXSP-NVXWUHKLSA-N 1 3 337.464 0.299 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@]2(CCN(CCO)C2)O1 ZINC001071186282 784692160 /nfs/dbraw/zinc/69/21/60/784692160.db2.gz TWWOBSULVLRXSP-WBVHZDCISA-N 1 3 337.464 0.299 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001072290118 785991583 /nfs/dbraw/zinc/99/15/83/785991583.db2.gz JUOGRWMKOPUPNT-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001072290118 785991586 /nfs/dbraw/zinc/99/15/86/785991586.db2.gz JUOGRWMKOPUPNT-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073632106 786821923 /nfs/dbraw/zinc/82/19/23/786821923.db2.gz XYEFFXIRCVIRBY-IAGOWNOFSA-N 1 3 341.496 0.818 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001073632106 786821933 /nfs/dbraw/zinc/82/19/33/786821933.db2.gz XYEFFXIRCVIRBY-IAGOWNOFSA-N 1 3 341.496 0.818 20 0 ECADHO CO[C@H](C)CN1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861474 787385612 /nfs/dbraw/zinc/38/56/12/787385612.db2.gz CVLAZFKMPCMJJV-HUUCEWRRSA-N 1 3 325.453 0.324 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCOC3CCC3)CCCO2)C1 ZINC001073890436 787448417 /nfs/dbraw/zinc/44/84/17/787448417.db2.gz CVNLLXKJGMERKS-DOTOQJQBSA-N 1 3 339.480 0.714 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCOC3CCC3)CCCO2)C1 ZINC001073890436 787448424 /nfs/dbraw/zinc/44/84/24/787448424.db2.gz CVNLLXKJGMERKS-DOTOQJQBSA-N 1 3 339.480 0.714 20 0 ECADHO Cn1nccc1CCN1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073892205 787454690 /nfs/dbraw/zinc/45/46/90/787454690.db2.gz YFOOPLTWHPAKRC-WBVHZDCISA-N 1 3 349.479 0.121 20 0 ECADHO Cn1nccc1CCN1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073892205 787454693 /nfs/dbraw/zinc/45/46/93/787454693.db2.gz YFOOPLTWHPAKRC-WBVHZDCISA-N 1 3 349.479 0.121 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001074028122 787720778 /nfs/dbraw/zinc/72/07/78/787720778.db2.gz ZKMXRHHZQOISGY-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001074091224 787858680 /nfs/dbraw/zinc/85/86/80/787858680.db2.gz USHNNWDZGVSVHT-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832285 788400061 /nfs/dbraw/zinc/40/00/61/788400061.db2.gz AUQJBWIBAKDIDA-QXKUPLGCSA-N 1 3 336.480 0.526 20 0 ECADHO C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832285 788400072 /nfs/dbraw/zinc/40/00/72/788400072.db2.gz AUQJBWIBAKDIDA-QXKUPLGCSA-N 1 3 336.480 0.526 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001072669290 788551889 /nfs/dbraw/zinc/55/18/89/788551889.db2.gz VOCWJEBGPIONMP-HOCLYGCPSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H]1[C@@H](NCc2n[nH]c(C3CC3)n2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075106769 788914078 /nfs/dbraw/zinc/91/40/78/788914078.db2.gz LYSQKEQQSPPHBC-UBHSHLNASA-N 1 3 332.452 0.713 20 0 ECADHO C[C@H]1[C@@H](NCc2n[nH]c(C3CC3)n2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075106769 788914084 /nfs/dbraw/zinc/91/40/84/788914084.db2.gz LYSQKEQQSPPHBC-UBHSHLNASA-N 1 3 332.452 0.713 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001075156325 788995435 /nfs/dbraw/zinc/99/54/35/788995435.db2.gz USTGCKYPJOTTEQ-HUUCEWRRSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001075167196 789012003 /nfs/dbraw/zinc/01/20/03/789012003.db2.gz LGKDGGNURZYFNR-ZXFNITATSA-N 1 3 338.496 0.535 20 0 ECADHO O=C(CN1CCCC1)N1CCC([C@H]2C[C@@H]([NH2+]CCO)CCO2)CC1 ZINC001075396983 789323914 /nfs/dbraw/zinc/32/39/14/789323914.db2.gz GDVTUABAYJFKPE-DLBZAZTESA-N 1 3 339.480 0.450 20 0 ECADHO CCN(CC)CC(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001073047158 789342108 /nfs/dbraw/zinc/34/21/08/789342108.db2.gz XCIFDWIERKDAGX-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073047158 789342114 /nfs/dbraw/zinc/34/21/14/789342114.db2.gz XCIFDWIERKDAGX-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)C1(C(=O)N2CCC(C)(NC(=O)CC[NH+](C)C)CC2)CCC1 ZINC001073095006 789432155 /nfs/dbraw/zinc/43/21/55/789432155.db2.gz GOKGXUHFOGETJS-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001067712912 792171166 /nfs/dbraw/zinc/17/11/66/792171166.db2.gz HXRVIILCNACVAO-OAHLLOKOSA-N 1 3 340.512 0.975 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1CCCCN1C)C(=O)CC[NH+](C)C ZINC001067736767 792202225 /nfs/dbraw/zinc/20/22/25/792202225.db2.gz GGBREXZTYYLRIG-OAHLLOKOSA-N 1 3 326.485 0.729 20 0 ECADHO CC[N@H+](C)CCC(=O)N(C)CCNCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001267451993 837431441 /nfs/dbraw/zinc/43/14/41/837431441.db2.gz YZTGNWSYNOTMDA-GASCZTMLSA-N 1 3 342.484 0.012 20 0 ECADHO CC[N@@H+](C)CCC(=O)N(C)CCNCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001267451993 837431447 /nfs/dbraw/zinc/43/14/47/837431447.db2.gz YZTGNWSYNOTMDA-GASCZTMLSA-N 1 3 342.484 0.012 20 0 ECADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001408643963 837716341 /nfs/dbraw/zinc/71/63/41/837716341.db2.gz SISFQCHCPXTIGU-HZPDHXFCSA-N 1 3 338.496 0.489 20 0 ECADHO CC[C@@H](C(=O)NCCCN1CC[NH+](C[C@H]2CCOC2)CC1)N(C)C ZINC001266274020 835596794 /nfs/dbraw/zinc/59/67/94/835596794.db2.gz WVQBGQKKOOQEAH-SJORKVTESA-N 1 3 340.512 0.487 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001266733610 836214895 /nfs/dbraw/zinc/21/48/95/836214895.db2.gz XPHNQPRXWZRGKI-CABCVRRESA-N 1 3 347.525 0.445 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC2CC2)C1)N(C)C ZINC001267000957 836589401 /nfs/dbraw/zinc/58/94/01/836589401.db2.gz HQMGALKTFFGUCF-HZPDHXFCSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)C[NH2+]CCc1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001267096051 836756439 /nfs/dbraw/zinc/75/64/39/836756439.db2.gz DKISTUMOKLSYCN-UHFFFAOYSA-N 1 3 346.475 0.665 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001408593485 837088919 /nfs/dbraw/zinc/08/89/19/837088919.db2.gz KKUKNOCBJNVJCJ-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCOCCO)C1 ZINC001267597712 837904656 /nfs/dbraw/zinc/90/46/56/837904656.db2.gz ZPZXYVYHXFFQHM-SJORKVTESA-N 1 3 341.496 0.650 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCOCCO)C1 ZINC001267597712 837904665 /nfs/dbraw/zinc/90/46/65/837904665.db2.gz ZPZXYVYHXFFQHM-SJORKVTESA-N 1 3 341.496 0.650 20 0 ECADHO CCN(CCNC(=O)[C@H](C(C)C)N(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001408754851 838271824 /nfs/dbraw/zinc/27/18/24/838271824.db2.gz KQDZTARRFJGFLJ-OAGGEKHMSA-N 1 3 340.512 0.878 20 0 ECADHO CCN(CCNC(=O)[C@H](C(C)C)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001408754851 838271830 /nfs/dbraw/zinc/27/18/30/838271830.db2.gz KQDZTARRFJGFLJ-OAGGEKHMSA-N 1 3 340.512 0.878 20 0 ECADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)[C@@H]1CCCCN1C ZINC001408800298 838460162 /nfs/dbraw/zinc/46/01/62/838460162.db2.gz TZKWJMFJSTVXTN-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)[C@@H]1CCCCN1C ZINC001408800298 838460167 /nfs/dbraw/zinc/46/01/67/838460167.db2.gz TZKWJMFJSTVXTN-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001408845122 838640432 /nfs/dbraw/zinc/64/04/32/838640432.db2.gz OZNLBVRYOCDLNO-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001267961063 838870572 /nfs/dbraw/zinc/87/05/72/838870572.db2.gz VDWFSSYWJNTIGA-BZUAXINKSA-N 1 3 338.496 0.966 20 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/nfs/dbraw/zinc/23/00/10/210230010.db2.gz HZVBVZXFJFXKLQ-RDJZCZTQSA-N 1 3 336.480 0.088 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000427903230 210230016 /nfs/dbraw/zinc/23/00/16/210230016.db2.gz HZVBVZXFJFXKLQ-RDJZCZTQSA-N 1 3 336.480 0.088 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410464541 282251811 /nfs/dbraw/zinc/25/18/11/282251811.db2.gz DNCLJIHYRBPFKN-MAUKXSAKSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410464541 282251812 /nfs/dbraw/zinc/25/18/12/282251812.db2.gz DNCLJIHYRBPFKN-MAUKXSAKSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000127641583 222866484 /nfs/dbraw/zinc/86/64/84/222866484.db2.gz LQHDELULWCQBRM-KBPBESRZSA-N 1 3 343.493 0.948 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410463432 283057613 /nfs/dbraw/zinc/05/76/13/283057613.db2.gz BFCGGFCDLNXUHO-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410463432 283057614 /nfs/dbraw/zinc/05/76/14/283057614.db2.gz BFCGGFCDLNXUHO-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C[C@@H]21 ZINC000410931229 283079591 /nfs/dbraw/zinc/07/95/91/283079591.db2.gz SVLJTTDGMSLGIF-ZACQAIPSSA-N 1 3 348.491 0.339 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420022903 283217840 /nfs/dbraw/zinc/21/78/40/283217840.db2.gz AFFBGHVHMVBGGG-KBPBESRZSA-N 1 3 342.484 0.406 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420122603 283232728 /nfs/dbraw/zinc/23/27/28/283232728.db2.gz LKIQKRMXOVFADU-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CNC(=O)NC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304341 283346064 /nfs/dbraw/zinc/34/60/64/283346064.db2.gz LVCQONLJQAKKDP-OKILXGFUSA-N 1 3 340.468 0.653 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000419161224 291196160 /nfs/dbraw/zinc/19/61/60/291196160.db2.gz RIAFCTSHUSNZTC-OCCSQVGLSA-N 1 3 340.468 0.064 20 0 ECADHO C[NH2+]C[C@H](C)CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420467404 209372792 /nfs/dbraw/zinc/37/27/92/209372792.db2.gz XFELTXJCXAWTDA-NSHDSACASA-N 1 3 331.486 0.195 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420085576 209302129 /nfs/dbraw/zinc/30/21/29/209302129.db2.gz NQQXVSFBJQTBFQ-HOCLYGCPSA-N 1 3 338.496 0.714 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420085576 209302130 /nfs/dbraw/zinc/30/21/30/209302130.db2.gz NQQXVSFBJQTBFQ-HOCLYGCPSA-N 1 3 338.496 0.714 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCc2cccc(C[NH+](C)C)c2)CC1=O ZINC000072859624 216318783 /nfs/dbraw/zinc/31/87/83/216318783.db2.gz BTJBMFOMPJOLHN-KRWDZBQOSA-N 1 3 346.475 0.775 20 0 ECADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420029690 209283282 /nfs/dbraw/zinc/28/32/82/209283282.db2.gz OJXQTQMLFTXXRR-HOCLYGCPSA-N 1 3 347.463 0.358 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000419952012 209257944 /nfs/dbraw/zinc/25/79/44/209257944.db2.gz OCVZANOVJNRJBX-ZDUSSCGKSA-N 1 3 340.493 0.610 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000419943268 209256074 /nfs/dbraw/zinc/25/60/74/209256074.db2.gz HAZYYRMJOSVAEY-MRXNPFEDSA-N 1 3 348.491 0.857 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419917437 209249558 /nfs/dbraw/zinc/24/95/58/209249558.db2.gz SATOQWHQMKJTTE-RDJZCZTQSA-N 1 3 346.475 0.897 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419917437 209249561 /nfs/dbraw/zinc/24/95/61/209249561.db2.gz SATOQWHQMKJTTE-RDJZCZTQSA-N 1 3 346.475 0.897 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419913984 209248076 /nfs/dbraw/zinc/24/80/76/209248076.db2.gz NKRKJDFZOXVXAM-HZPDHXFCSA-N 1 3 332.448 0.745 20 0 ECADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419892718 209241623 /nfs/dbraw/zinc/24/16/23/209241623.db2.gz URLIOCZNRDZJEM-KRWDZBQOSA-N 1 3 346.475 0.488 20 0 ECADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419858175 209227971 /nfs/dbraw/zinc/22/79/71/209227971.db2.gz WDNSVNSHJOJBJA-INIZCTEOSA-N 1 3 336.480 0.722 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000419823633 209215076 /nfs/dbraw/zinc/21/50/76/209215076.db2.gz MDQAGSVZEZTLQZ-OWCLPIDISA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000419823633 209215078 /nfs/dbraw/zinc/21/50/78/209215078.db2.gz MDQAGSVZEZTLQZ-OWCLPIDISA-N 1 3 336.480 0.753 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000419781520 209202854 /nfs/dbraw/zinc/20/28/54/209202854.db2.gz SGIHAFXBJMRJQA-UKRRQHHQSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419729171 209189995 /nfs/dbraw/zinc/18/99/95/209189995.db2.gz NXZPKZXJCXZMPV-PBHICJAKSA-N 1 3 344.459 0.806 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000419724548 209189215 /nfs/dbraw/zinc/18/92/15/209189215.db2.gz QDRVTVDGPAOLJY-KRWDZBQOSA-N 1 3 344.459 0.588 20 0 ECADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419698432 209175993 /nfs/dbraw/zinc/17/59/93/209175993.db2.gz SLJYMSLIYZIVLZ-LSDHHAIUSA-N 1 3 336.480 0.625 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000419669853 209165860 /nfs/dbraw/zinc/16/58/60/209165860.db2.gz VVGPJBSODGIUDG-UHFFFAOYSA-N 1 3 347.463 0.530 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419657040 209160288 /nfs/dbraw/zinc/16/02/88/209160288.db2.gz VAVGJNNWWNPQGG-INIZCTEOSA-N 1 3 344.459 0.574 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419657040 209160292 /nfs/dbraw/zinc/16/02/92/209160292.db2.gz VAVGJNNWWNPQGG-INIZCTEOSA-N 1 3 344.459 0.574 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419578534 209131813 /nfs/dbraw/zinc/13/18/13/209131813.db2.gz FAIKCIXJGNRZKM-KRWDZBQOSA-N 1 3 344.459 0.897 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000419555743 209125848 /nfs/dbraw/zinc/12/58/48/209125848.db2.gz HUGDHYCDOUJZQN-BZPMIXESSA-N 1 3 338.477 0.711 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000339579700 297361469 /nfs/dbraw/zinc/36/14/69/297361469.db2.gz FBPXNKMHNCUPTK-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000447437444 211189543 /nfs/dbraw/zinc/18/95/43/211189543.db2.gz DHQSVNLNQRBWHV-KRWDZBQOSA-N 1 3 335.448 0.623 20 0 ECADHO CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NC1CC[NH+](CC)CC1 ZINC000411797067 208147786 /nfs/dbraw/zinc/14/77/86/208147786.db2.gz SWHPBYGHICQTRO-CABCVRRESA-N 1 3 325.453 0.908 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000430710982 210399238 /nfs/dbraw/zinc/39/92/38/210399238.db2.gz CIWWNGBIXSBXJD-QGZVFWFLSA-N 1 3 346.475 0.788 20 0 ECADHO COC1CC[NH+](C2(CNC(=O)C[C@@H]3CNCCO3)CCCC2)CC1 ZINC000430709410 210399053 /nfs/dbraw/zinc/39/90/53/210399053.db2.gz XLIPGHMUMIAJND-MRXNPFEDSA-N 1 3 339.480 0.905 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419157354 209005547 /nfs/dbraw/zinc/00/55/47/209005547.db2.gz KUEUYGRCUYPKGC-GJZGRUSLSA-N 1 3 326.485 0.857 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000419171269 209011003 /nfs/dbraw/zinc/01/10/03/209011003.db2.gz OSDXUDWYELFZAC-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419174816 209012336 /nfs/dbraw/zinc/01/23/36/209012336.db2.gz WQSIUXZGIWKCPQ-IRXDYDNUSA-N 1 3 346.475 0.819 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419175907 209013366 /nfs/dbraw/zinc/01/33/66/209013366.db2.gz YGAGOGCTSOSYIX-ARFHVFGLSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000419195696 209020305 /nfs/dbraw/zinc/02/03/05/209020305.db2.gz VNFBDYVOIFZCFI-OAHLLOKOSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N[C@H](CN)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000419200046 209020593 /nfs/dbraw/zinc/02/05/93/209020593.db2.gz LRYYOWVVVUHMHC-WMLDXEAASA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N[C@H](CN)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000419200046 209020595 /nfs/dbraw/zinc/02/05/95/209020595.db2.gz LRYYOWVVVUHMHC-WMLDXEAASA-N 1 3 346.475 0.867 20 0 ECADHO CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)N(C)CCN)c2)CC1 ZINC000419206983 209024928 /nfs/dbraw/zinc/02/49/28/209024928.db2.gz NXFYABMXEMXTQZ-UHFFFAOYSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419267858 209046577 /nfs/dbraw/zinc/04/65/77/209046577.db2.gz KSAVCNKJRMVXSB-AWEZNQCLSA-N 1 3 332.448 0.704 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CCCC4)C3)C[C@H]12 ZINC000419225775 209031601 /nfs/dbraw/zinc/03/16/01/209031601.db2.gz HVJUICURZRPQBS-LTIDMASMSA-N 1 3 348.491 0.563 20 0 ECADHO C[C@@H](O)C[NH+]1CCC(CN(C)CCN2CCCS2(=O)=O)CC1 ZINC000336858573 297167161 /nfs/dbraw/zinc/16/71/61/297167161.db2.gz ZPUXIDRXTOYHOE-CQSZACIVSA-N 1 3 333.498 0.047 20 0 ECADHO COCCNCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188985666 165004355 /nfs/dbraw/zinc/00/43/55/165004355.db2.gz GQYHGLYNNHSEDI-DOMZBBRYSA-N 1 3 327.375 0.763 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000248871357 165189155 /nfs/dbraw/zinc/18/91/55/165189155.db2.gz KHEFHYOPBVZNML-UONOGXRCSA-N 1 3 326.441 0.265 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000248871357 165189158 /nfs/dbraw/zinc/18/91/58/165189158.db2.gz KHEFHYOPBVZNML-UONOGXRCSA-N 1 3 326.441 0.265 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N(C)C ZINC000261662579 165224121 /nfs/dbraw/zinc/22/41/21/165224121.db2.gz BDJPIQDTRVPEPO-OAGGEKHMSA-N 1 3 338.496 0.679 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000261672800 165225821 /nfs/dbraw/zinc/22/58/21/165225821.db2.gz ATNDGEUSXNVSAF-OAHLLOKOSA-N 1 3 346.475 0.984 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCN2C(=O)c3ccccc3C2=O)C1 ZINC000261686356 165226955 /nfs/dbraw/zinc/22/69/55/165226955.db2.gz NEDKHOXDIYFGON-CYBMUJFWSA-N 1 3 344.415 0.070 20 0 ECADHO Cn1ccnc1[C@H]1CNCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000261834110 165249597 /nfs/dbraw/zinc/24/95/97/165249597.db2.gz VUOULZOYEXWMDK-MRXNPFEDSA-N 1 3 346.479 0.109 20 0 ECADHO COC[C@]1(CNS(=O)(=O)c2ccc(CN(C)C)cc2)CCC[NH2+]1 ZINC000262210376 165308544 /nfs/dbraw/zinc/30/85/44/165308544.db2.gz DWKMWVDHXQCKCD-MRXNPFEDSA-N 1 3 341.477 0.795 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])Cc1ccccc1 ZINC000419392895 209077901 /nfs/dbraw/zinc/07/79/01/209077901.db2.gz MBMDHRMEDKSHJF-DOTOQJQBSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419407994 209084970 /nfs/dbraw/zinc/08/49/70/209084970.db2.gz LEKYWPKLEJKWMB-HOCLYGCPSA-N 1 3 338.496 0.858 20 0 ECADHO COCC[N@H+](C)CCCC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000122048826 222003030 /nfs/dbraw/zinc/00/30/30/222003030.db2.gz GZDQOKGHRJVNOR-UHFFFAOYSA-N 1 3 340.468 0.609 20 0 ECADHO COCC[N@@H+](C)CCCC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000122048826 222003032 /nfs/dbraw/zinc/00/30/32/222003032.db2.gz GZDQOKGHRJVNOR-UHFFFAOYSA-N 1 3 340.468 0.609 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000359457105 299852820 /nfs/dbraw/zinc/85/28/20/299852820.db2.gz ALNVQOVPYBUKEI-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCC[NH3+])CCN1Cc1ccccc1 ZINC000419832043 274386073 /nfs/dbraw/zinc/38/60/73/274386073.db2.gz ITPOQKQSNRACCI-WBVHZDCISA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000418857076 274504059 /nfs/dbraw/zinc/50/40/59/274504059.db2.gz YACFHUPKQRNKRZ-UAGQMJEPSA-N 1 3 346.475 0.471 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340207470 437595861 /nfs/dbraw/zinc/59/58/61/437595861.db2.gz VWGSOSVLJSGLNK-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340207470 437595869 /nfs/dbraw/zinc/59/58/69/437595869.db2.gz VWGSOSVLJSGLNK-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419024368 278256462 /nfs/dbraw/zinc/25/64/62/278256462.db2.gz KRFIWFDGKUHNRP-QXSJWSMHSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420013216 278856937 /nfs/dbraw/zinc/85/69/37/278856937.db2.gz JANHSPBWHWDIKF-CABCVRRESA-N 1 3 326.485 0.666 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000419973855 279135447 /nfs/dbraw/zinc/13/54/47/279135447.db2.gz HHZYAWBRXMSCED-SOUVJXGZSA-N 1 3 326.485 0.713 20 0 ECADHO COC(=O)[C@@](C)(O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330734103 437601137 /nfs/dbraw/zinc/60/11/37/437601137.db2.gz LDXPPRPILKXXNX-VBQJREDUSA-N 1 3 328.453 0.732 20 0 ECADHO C[NH+](C)C1CCN(CCN[C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000183075476 289070049 /nfs/dbraw/zinc/07/00/49/289070049.db2.gz JYRCPQXNBFHUTI-JKSUJKDBSA-N 1 3 331.526 0.958 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1=O ZINC000245435922 289157534 /nfs/dbraw/zinc/15/75/34/289157534.db2.gz QSNHNPUASCNOIW-HNSVSWJLSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1=O ZINC000245435922 289157536 /nfs/dbraw/zinc/15/75/36/289157536.db2.gz QSNHNPUASCNOIW-HNSVSWJLSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)[C@@H]1CN ZINC000423733471 290421047 /nfs/dbraw/zinc/42/10/47/290421047.db2.gz NQYNYXNZJGFNDY-GOEBONIOSA-N 1 3 338.496 0.763 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1CN ZINC000419531804 290422760 /nfs/dbraw/zinc/42/27/60/290422760.db2.gz LMGBXYGYYQWZSK-LBDPXKHJSA-N 1 3 336.480 0.705 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345283 293026206 /nfs/dbraw/zinc/02/62/06/293026206.db2.gz VQDUCIIJQFLZDQ-MJBXVCDLSA-N 1 3 326.441 0.169 20 0 ECADHO COC[C@]1(CNC(=O)NC[C@H](O)CN2CCC(C)CC2)CCC[NH2+]1 ZINC000418641717 293290289 /nfs/dbraw/zinc/29/02/89/293290289.db2.gz SKUDSTSTYZDIST-DOTOQJQBSA-N 1 3 342.484 0.147 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332113041 297003629 /nfs/dbraw/zinc/00/36/29/297003629.db2.gz CNQIYNFXZAOSKS-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332113041 297003630 /nfs/dbraw/zinc/00/36/30/297003630.db2.gz CNQIYNFXZAOSKS-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)CC1 ZINC000332602446 297056979 /nfs/dbraw/zinc/05/69/79/297056979.db2.gz JJSHXIFUXOZPAI-GDBMZVCRSA-N 1 3 336.480 0.671 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000419800687 295205345 /nfs/dbraw/zinc/20/53/45/295205345.db2.gz IQVRTHRTWFMINQ-OAHLLOKOSA-N 1 3 336.480 0.851 20 0 ECADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000419414002 295301537 /nfs/dbraw/zinc/30/15/37/295301537.db2.gz DRUBUQKDUBZGEN-SJORKVTESA-N 1 3 344.459 0.889 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CCC[C@@H](C)C1 ZINC000333946771 297156597 /nfs/dbraw/zinc/15/65/97/297156597.db2.gz UZVDQFCEVGYVOO-IKGGRYGDSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419024335 297248911 /nfs/dbraw/zinc/24/89/11/297248911.db2.gz KOATZWQMCHXRNY-KFWWJZLASA-N 1 3 338.496 0.809 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000339578579 297361388 /nfs/dbraw/zinc/36/13/88/297361388.db2.gz PMKCFXGDPLFKNK-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339635601 297367044 /nfs/dbraw/zinc/36/70/44/297367044.db2.gz BXPPPACGUTWCMI-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339635601 297367046 /nfs/dbraw/zinc/36/70/46/297367046.db2.gz BXPPPACGUTWCMI-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CCN(C)CC1 ZINC000339638761 297367878 /nfs/dbraw/zinc/36/78/78/297367878.db2.gz PZWSDDXROYJRBU-ZNMIVQPWSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CCN(C)CC1 ZINC000339638761 297367879 /nfs/dbraw/zinc/36/78/79/297367879.db2.gz PZWSDDXROYJRBU-ZNMIVQPWSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1)N(C)C1CC1 ZINC000339742782 297376325 /nfs/dbraw/zinc/37/63/25/297376325.db2.gz OPVLLPJTLUDCBO-AWEZNQCLSA-N 1 3 346.475 0.963 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000340210171 297454611 /nfs/dbraw/zinc/45/46/11/297454611.db2.gz ZKTORPGTCJYWOZ-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000344635479 298047407 /nfs/dbraw/zinc/04/74/07/298047407.db2.gz LJTJNWVOQJWBER-SJLPKXTDSA-N 1 3 346.475 0.285 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345718287 298187103 /nfs/dbraw/zinc/18/71/03/298187103.db2.gz OHDMZQISPSAOIN-VKJFTORMSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000346531725 298287856 /nfs/dbraw/zinc/28/78/56/298287856.db2.gz FREKLAPQELNUHQ-WWGRRREGSA-N 1 3 334.464 0.352 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000346531725 298287857 /nfs/dbraw/zinc/28/78/57/298287857.db2.gz FREKLAPQELNUHQ-WWGRRREGSA-N 1 3 334.464 0.352 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422980300 298578750 /nfs/dbraw/zinc/57/87/50/298578750.db2.gz LJPOCIBNPWNKBX-OAHLLOKOSA-N 1 3 336.480 0.722 20 0 ECADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CCOC2CNC2)cc1 ZINC000348990636 298641313 /nfs/dbraw/zinc/64/13/13/298641313.db2.gz MEWLKLSCSPCUSJ-UHFFFAOYSA-N 1 3 334.420 0.894 20 0 ECADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000352758024 298973430 /nfs/dbraw/zinc/97/34/30/298973430.db2.gz XLSWDPOQIBIMJN-HZPDHXFCSA-N 1 3 331.526 0.959 20 0 ECADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1-n1cncn1 ZINC000364129714 300328202 /nfs/dbraw/zinc/32/82/02/300328202.db2.gz ZWRAAZNVJYRJAX-CQSZACIVSA-N 1 3 328.424 0.761 20 0 ECADHO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](N)CCC(N)=O)CC2)cc1 ZINC000365559692 300460011 /nfs/dbraw/zinc/46/00/11/300460011.db2.gz WGMBIBLEHFBTLX-KRWDZBQOSA-N 1 3 346.475 0.916 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000073246578 436072399 /nfs/dbraw/zinc/07/23/99/436072399.db2.gz CAZRPCWRMAEBHH-CYBMUJFWSA-N 1 3 334.482 0.769 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073216931 436073208 /nfs/dbraw/zinc/07/32/08/436073208.db2.gz FKHSLGYOPAKPJE-HNNXBMFYSA-N 1 3 342.484 0.507 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074253841 436117233 /nfs/dbraw/zinc/11/72/33/436117233.db2.gz GBRWRDSYMVMHBR-OAHLLOKOSA-N 1 3 338.496 0.633 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000373358866 301060988 /nfs/dbraw/zinc/06/09/88/301060988.db2.gz LYLWBGBVRRWGJC-HNNXBMFYSA-N 1 3 342.484 0.459 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000373358866 301060990 /nfs/dbraw/zinc/06/09/90/301060990.db2.gz LYLWBGBVRRWGJC-HNNXBMFYSA-N 1 3 342.484 0.459 20 0 ECADHO C[N@@H+]1CC[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@H]2CCC[C@@H]21 ZINC000375889343 301218861 /nfs/dbraw/zinc/21/88/61/301218861.db2.gz ONTGFZMTPNQKGL-IKGGRYGDSA-N 1 3 344.459 0.864 20 0 ECADHO C[N@H+]1CC[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@H]2CCC[C@@H]21 ZINC000375889343 301218864 /nfs/dbraw/zinc/21/88/64/301218864.db2.gz ONTGFZMTPNQKGL-IKGGRYGDSA-N 1 3 344.459 0.864 20 0 ECADHO CN1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)[C@H]2CCC[C@@H]21 ZINC000375889343 301218867 /nfs/dbraw/zinc/21/88/67/301218867.db2.gz ONTGFZMTPNQKGL-IKGGRYGDSA-N 1 3 344.459 0.864 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](N)Cc3ccccc3)C2)CC1 ZINC000377195455 301329530 /nfs/dbraw/zinc/32/95/30/301329530.db2.gz FIUYOUQHDJGRBE-SJLPKXTDSA-N 1 3 330.476 0.841 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](N)Cc3ccccc3)C2)CC1 ZINC000377195455 301329533 /nfs/dbraw/zinc/32/95/33/301329533.db2.gz FIUYOUQHDJGRBE-SJLPKXTDSA-N 1 3 330.476 0.841 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000077787707 436252775 /nfs/dbraw/zinc/25/27/75/436252775.db2.gz YKKCNIAIPKTYCX-HUUCEWRRSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000077787707 436252780 /nfs/dbraw/zinc/25/27/80/436252780.db2.gz YKKCNIAIPKTYCX-HUUCEWRRSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000516173608 301658490 /nfs/dbraw/zinc/65/84/90/301658490.db2.gz LWNNRPKHRGHMGK-RBSFLKMASA-N 1 3 332.514 0.625 20 0 ECADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519660430 301752978 /nfs/dbraw/zinc/75/29/78/301752978.db2.gz ZIQDZXGNILLKND-FVQBIDKESA-N 1 3 345.447 0.202 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)CC1 ZINC000050799132 436477685 /nfs/dbraw/zinc/47/76/85/436477685.db2.gz TUILWTUCJABJTG-CQSZACIVSA-N 1 3 348.491 0.672 20 0 ECADHO Cn1nccc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760500 436496411 /nfs/dbraw/zinc/49/64/11/436496411.db2.gz ODXIDMJMZJQEPO-UHFFFAOYSA-N 1 3 334.468 0.778 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(CO)CC3)CC2)CC1 ZINC000051758771 436496813 /nfs/dbraw/zinc/49/68/13/436496813.db2.gz NREZQOBJQALKGX-UHFFFAOYSA-N 1 3 338.496 0.959 20 0 ECADHO O=C(CN1CCCC[C@H]1[C@@H]1CNC(=O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000535014630 302116349 /nfs/dbraw/zinc/11/63/49/302116349.db2.gz OSYVJIACTHEDHD-YOEHRIQHSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[NH+]1CCC(C)CC1 ZINC000114182126 436640073 /nfs/dbraw/zinc/64/00/73/436640073.db2.gz YKDGPYJXWKDPFS-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000549583759 302339992 /nfs/dbraw/zinc/33/99/92/302339992.db2.gz IFYDQPMNISWZET-HNNXBMFYSA-N 1 3 336.484 0.932 20 0 ECADHO CC1CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000153014777 436744397 /nfs/dbraw/zinc/74/43/97/436744397.db2.gz IBTWXVNQZPWUEG-MRXNPFEDSA-N 1 3 336.480 0.483 20 0 ECADHO CC1CCN(CC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000153014777 436744400 /nfs/dbraw/zinc/74/44/00/436744400.db2.gz IBTWXVNQZPWUEG-MRXNPFEDSA-N 1 3 336.480 0.483 20 0 ECADHO CC1CCN(CC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000153014777 436744403 /nfs/dbraw/zinc/74/44/03/436744403.db2.gz IBTWXVNQZPWUEG-MRXNPFEDSA-N 1 3 336.480 0.483 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000245837981 436768099 /nfs/dbraw/zinc/76/80/99/436768099.db2.gz CYKUFMHSWPZQEI-HOTGVXAUSA-N 1 3 327.469 0.572 20 0 ECADHO C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126458606 436787400 /nfs/dbraw/zinc/78/74/00/436787400.db2.gz XBDZAEQXXMAINK-DOTOQJQBSA-N 1 3 340.512 0.628 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000130579736 436838390 /nfs/dbraw/zinc/83/83/90/436838390.db2.gz XNXYYSHVJKUXBZ-UHFFFAOYSA-N 1 3 342.390 0.855 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000262306218 436922944 /nfs/dbraw/zinc/92/29/44/436922944.db2.gz AXCQIHNRXPRURK-DLBZAZTESA-N 1 3 332.448 0.485 20 0 ECADHO CO[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000261619431 436878965 /nfs/dbraw/zinc/87/89/65/436878965.db2.gz BSSZNCSMGZKVKZ-HUUCEWRRSA-N 1 3 341.477 0.875 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000261696416 436882268 /nfs/dbraw/zinc/88/22/68/436882268.db2.gz OFNGZATUNGJFHK-INIZCTEOSA-N 1 3 336.436 0.665 20 0 ECADHO COCC[N@H+](C)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172460830 437015621 /nfs/dbraw/zinc/01/56/21/437015621.db2.gz SNSGIKXWYZIQRO-UHFFFAOYSA-N 1 3 342.484 0.318 20 0 ECADHO COCC[N@@H+](C)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172460830 437015624 /nfs/dbraw/zinc/01/56/24/437015624.db2.gz SNSGIKXWYZIQRO-UHFFFAOYSA-N 1 3 342.484 0.318 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)N(C)C1CC1 ZINC000303987640 437156355 /nfs/dbraw/zinc/15/63/55/437156355.db2.gz JIGQLQOETXXPTL-GOEBONIOSA-N 1 3 326.485 0.861 20 0 ECADHO C[C@@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)N(C)C1CC1 ZINC000175732803 437114473 /nfs/dbraw/zinc/11/44/73/437114473.db2.gz FKJIVKFDHHOLOW-AWEZNQCLSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000331674352 437140215 /nfs/dbraw/zinc/14/02/15/437140215.db2.gz SGZCSDMUMBNXPC-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCC[C@H](N2CCC(C(=O)NCC[NH+](C)C)CC2)C1=O ZINC000177699053 437195958 /nfs/dbraw/zinc/19/59/58/437195958.db2.gz BFZIXWAOBRBSOT-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333362626 437268654 /nfs/dbraw/zinc/26/86/54/437268654.db2.gz LHMWRFKCOQUORP-SJORKVTESA-N 1 3 337.512 0.940 20 0 ECADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCCN2CCN(C)CC2)C1(C)C ZINC000323165103 437221522 /nfs/dbraw/zinc/22/15/22/437221522.db2.gz KMFDKQZBCJIJNS-RHSMWYFYSA-N 1 3 326.485 0.273 20 0 ECADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000183293201 437380286 /nfs/dbraw/zinc/38/02/86/437380286.db2.gz OFJMOXDHOGNOCW-QGZVFWFLSA-N 1 3 338.496 0.384 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339608814 437477396 /nfs/dbraw/zinc/47/73/96/437477396.db2.gz SUEULYXRLVUMGG-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCC(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000339633010 437481191 /nfs/dbraw/zinc/48/11/91/437481191.db2.gz BUFCTBSPSPSESA-CQSZACIVSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339637735 437481527 /nfs/dbraw/zinc/48/15/27/437481527.db2.gz SYNWOHPKUYNDKD-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339637735 437481529 /nfs/dbraw/zinc/48/15/29/437481529.db2.gz SYNWOHPKUYNDKD-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339637115 437481604 /nfs/dbraw/zinc/48/16/04/437481604.db2.gz VOHLONNOSYALLO-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339651399 437484187 /nfs/dbraw/zinc/48/41/87/437484187.db2.gz NKBQHPCHBQXHOQ-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)N1CCOCC1 ZINC000339703595 437501215 /nfs/dbraw/zinc/50/12/15/437501215.db2.gz YIRXNVWXMDLBSY-OAHLLOKOSA-N 1 3 338.496 0.382 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343453653 437586276 /nfs/dbraw/zinc/58/62/76/437586276.db2.gz UVYGDMCAUXRJEK-NUJGCVRESA-N 1 3 349.523 0.891 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000343686019 437627344 /nfs/dbraw/zinc/62/73/44/437627344.db2.gz IYUAIYBUBUKLBK-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000343686019 437627350 /nfs/dbraw/zinc/62/73/50/437627350.db2.gz IYUAIYBUBUKLBK-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCN1C ZINC000343776177 437654605 /nfs/dbraw/zinc/65/46/05/437654605.db2.gz CUZDIZUAYNVUHT-KFWWJZLASA-N 1 3 339.484 0.356 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCN1C ZINC000343776177 437654608 /nfs/dbraw/zinc/65/46/08/437654608.db2.gz CUZDIZUAYNVUHT-KFWWJZLASA-N 1 3 339.484 0.356 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000340507422 437678613 /nfs/dbraw/zinc/67/86/13/437678613.db2.gz UJKXJWQTIOUPBE-XJKSGUPXSA-N 1 3 336.480 0.576 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000343895339 437685992 /nfs/dbraw/zinc/68/59/92/437685992.db2.gz VYXPCNCDZBWWSU-SNVBAGLBSA-N 1 3 326.422 0.829 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)C[C@H](C)O1 ZINC000344028199 437720912 /nfs/dbraw/zinc/72/09/12/437720912.db2.gz MIBAJLXYUYNHEG-HOTGVXAUSA-N 1 3 328.501 0.438 20 0 ECADHO CN(CCCN(C)CC(=O)NC(=O)NC(C)(C)C)CC[NH+](C)C ZINC000344009598 437717040 /nfs/dbraw/zinc/71/70/40/437717040.db2.gz BECURWLEFIWTMJ-UHFFFAOYSA-N 1 3 329.489 0.426 20 0 ECADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H](O)CN1CCCC1=O ZINC000344174672 437742888 /nfs/dbraw/zinc/74/28/88/437742888.db2.gz WRJVCAWLSCSUMS-KRWDZBQOSA-N 1 3 340.512 0.319 20 0 ECADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H](O)CN1CCCC1=O ZINC000344174672 437742893 /nfs/dbraw/zinc/74/28/93/437742893.db2.gz WRJVCAWLSCSUMS-KRWDZBQOSA-N 1 3 340.512 0.319 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000362751358 437752407 /nfs/dbraw/zinc/75/24/07/437752407.db2.gz FSOBJRCTXOCBIJ-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000362751358 437752410 /nfs/dbraw/zinc/75/24/10/437752410.db2.gz FSOBJRCTXOCBIJ-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000423746393 437822633 /nfs/dbraw/zinc/82/26/33/437822633.db2.gz REKSECRHXOLPIR-IRXDYDNUSA-N 1 3 338.496 0.384 20 0 ECADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000423746393 437822635 /nfs/dbraw/zinc/82/26/35/437822635.db2.gz REKSECRHXOLPIR-IRXDYDNUSA-N 1 3 338.496 0.384 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000423755681 437827257 /nfs/dbraw/zinc/82/72/57/437827257.db2.gz FJPXIMGMXYTKEX-INIZCTEOSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000423755681 437827262 /nfs/dbraw/zinc/82/72/62/437827262.db2.gz FJPXIMGMXYTKEX-INIZCTEOSA-N 1 3 326.485 0.809 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000423609577 437777781 /nfs/dbraw/zinc/77/77/81/437777781.db2.gz MBPDETCKKNFCGV-AWEZNQCLSA-N 1 3 338.477 0.459 20 0 ECADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423618088 437778714 /nfs/dbraw/zinc/77/87/14/437778714.db2.gz HDGCQFLSWABUKE-HZPDHXFCSA-N 1 3 336.480 0.517 20 0 ECADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423618088 437778718 /nfs/dbraw/zinc/77/87/18/437778718.db2.gz HDGCQFLSWABUKE-HZPDHXFCSA-N 1 3 336.480 0.517 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c2)CC1 ZINC000415385651 437794621 /nfs/dbraw/zinc/79/46/21/437794621.db2.gz VVMPNHZVAJWODZ-UHFFFAOYSA-N 1 3 347.463 0.621 20 0 ECADHO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423712392 437810304 /nfs/dbraw/zinc/81/03/04/437810304.db2.gz OFDOKGOJZFZOQY-JKSUJKDBSA-N 1 3 333.432 1.000 20 0 ECADHO NC1(CNC(=O)C(=O)NC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000424019563 437878917 /nfs/dbraw/zinc/87/89/17/437878917.db2.gz MJNIMARQGXWSSS-UHFFFAOYSA-N 1 3 330.432 0.375 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000415623738 437833713 /nfs/dbraw/zinc/83/37/13/437833713.db2.gz HNQHEHWIKOVEJT-CQSZACIVSA-N 1 3 348.447 0.824 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]2(CCOC)CC[NH2+]C2)CC1 ZINC000370773869 437835076 /nfs/dbraw/zinc/83/50/76/437835076.db2.gz PPQVYNOXDSDBIQ-AEFFLSMTSA-N 1 3 340.512 0.392 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000415692592 437841977 /nfs/dbraw/zinc/84/19/77/437841977.db2.gz ORUHMGVZEYSKNM-SFHVURJKSA-N 1 3 348.447 0.763 20 0 ECADHO CC[N@H+](CCNC(=O)Nc1cnc(N2CCNCC2)nc1)C1CC1 ZINC000415948887 437879629 /nfs/dbraw/zinc/87/96/29/437879629.db2.gz DWZFOXCRUBWSMQ-UHFFFAOYSA-N 1 3 333.440 0.492 20 0 ECADHO CC[N@@H+](CCNC(=O)Nc1cnc(N2CCNCC2)nc1)C1CC1 ZINC000415948887 437879634 /nfs/dbraw/zinc/87/96/34/437879634.db2.gz DWZFOXCRUBWSMQ-UHFFFAOYSA-N 1 3 333.440 0.492 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCCCCC[NH+]2CCCC2)CC1=O ZINC000357038299 437894263 /nfs/dbraw/zinc/89/42/63/437894263.db2.gz CBWOGLPSXWMAOO-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347529703 437905373 /nfs/dbraw/zinc/90/53/73/437905373.db2.gz NKHAKNGASCPAQO-UHFFFAOYSA-N 1 3 342.443 0.670 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000342024545 437944633 /nfs/dbraw/zinc/94/46/33/437944633.db2.gz PYKPOIJOLGUWMS-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@H](CCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1)[NH+]1CCCCC1 ZINC000342055060 437953710 /nfs/dbraw/zinc/95/37/10/437953710.db2.gz LPDVFCRBEZKQMP-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)N(C)C1CC1 ZINC000342065399 437956355 /nfs/dbraw/zinc/95/63/55/437956355.db2.gz RDLASSPXVLDCJP-CYBMUJFWSA-N 1 3 336.480 0.576 20 0 ECADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000357307913 437961289 /nfs/dbraw/zinc/96/12/89/437961289.db2.gz ODSAIXBKLZTWJL-MSOLQXFVSA-N 1 3 346.475 0.804 20 0 ECADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000357307913 437961296 /nfs/dbraw/zinc/96/12/96/437961296.db2.gz ODSAIXBKLZTWJL-MSOLQXFVSA-N 1 3 346.475 0.804 20 0 ECADHO CC(C)([NH3+])CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424544457 437970838 /nfs/dbraw/zinc/97/08/38/437970838.db2.gz KYJBZGFYKRMRAU-JKSUJKDBSA-N 1 3 344.459 0.573 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417426959 438050152 /nfs/dbraw/zinc/05/01/52/438050152.db2.gz HUYVXKSFMAVIFT-KFWWJZLASA-N 1 3 339.484 0.226 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN(CCN(C)C)CC1 ZINC000416984849 438011778 /nfs/dbraw/zinc/01/17/78/438011778.db2.gz YAVUZMWYWIYMEF-GOEBONIOSA-N 1 3 325.501 0.924 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000416977047 438011835 /nfs/dbraw/zinc/01/18/35/438011835.db2.gz PHEQMXVAMJQXRP-QGZVFWFLSA-N 1 3 325.501 0.701 20 0 ECADHO C[C@H]1CCC[C@](CNC(=O)C(=O)NCCN(C)C2CC2)([NH+](C)C)C1 ZINC000342987074 438098143 /nfs/dbraw/zinc/09/81/43/438098143.db2.gz DSPCJOVGRNAYFV-KSSFIOAISA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417473157 438054011 /nfs/dbraw/zinc/05/40/11/438054011.db2.gz JXFDYXYIBLYJOQ-CQSZACIVSA-N 1 3 349.479 0.775 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000417755288 438076041 /nfs/dbraw/zinc/07/60/41/438076041.db2.gz XJMJUAKZJAWYBI-FUHWJXTLSA-N 1 3 339.528 0.949 20 0 ECADHO C[C@@H]1CCN[C@@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1 ZINC000417783409 438080049 /nfs/dbraw/zinc/08/00/49/438080049.db2.gz NDINDVQSJRQADW-BXUZGUMPSA-N 1 3 340.449 0.250 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC000348924943 438115925 /nfs/dbraw/zinc/11/59/25/438115925.db2.gz XAPIKLOWLQCUPP-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC000348924943 438115928 /nfs/dbraw/zinc/11/59/28/438115928.db2.gz XAPIKLOWLQCUPP-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418289639 438126053 /nfs/dbraw/zinc/12/60/53/438126053.db2.gz OZQDRIRNURONFD-GVDBMIGSSA-N 1 3 337.512 0.653 20 0 ECADHO NC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000430893052 438126698 /nfs/dbraw/zinc/12/66/98/438126698.db2.gz HNQVNQASFRCPHN-JKSUJKDBSA-N 1 3 332.448 0.433 20 0 ECADHO NC[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000430893052 438126703 /nfs/dbraw/zinc/12/67/03/438126703.db2.gz HNQVNQASFRCPHN-JKSUJKDBSA-N 1 3 332.448 0.433 20 0 ECADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000430878087 438127297 /nfs/dbraw/zinc/12/72/97/438127297.db2.gz GZVVSACZYIITMF-ZFWWWQNUSA-N 1 3 330.432 0.932 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418431463 438145215 /nfs/dbraw/zinc/14/52/15/438145215.db2.gz XMZCEPDILDIDRC-CQSZACIVSA-N 1 3 339.484 0.452 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)C(=O)NCCN(C)C ZINC000418465090 438148661 /nfs/dbraw/zinc/14/86/61/438148661.db2.gz NDTIJPNYDOMZFJ-UONOGXRCSA-N 1 3 327.473 0.115 20 0 ECADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000418757172 438183297 /nfs/dbraw/zinc/18/32/97/438183297.db2.gz DLKCVLXGZJSJRP-JKSUJKDBSA-N 1 3 336.436 0.586 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2C[NH2+]CCN2C)o1 ZINC000418765858 438184463 /nfs/dbraw/zinc/18/44/63/438184463.db2.gz PENAXRHJGARDJJ-HNNXBMFYSA-N 1 3 337.468 0.565 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000418799188 438192049 /nfs/dbraw/zinc/19/20/49/438192049.db2.gz TYZSLCFHRGUWFL-YYIAUSFCSA-N 1 3 338.496 0.767 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000358118949 438158251 /nfs/dbraw/zinc/15/82/51/438158251.db2.gz YUIPMERAUQWQRG-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000358118949 438158255 /nfs/dbraw/zinc/15/82/55/438158255.db2.gz YUIPMERAUQWQRG-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C(=O)NCCN(C)C ZINC000418571275 438160453 /nfs/dbraw/zinc/16/04/53/438160453.db2.gz RHQWOROYBZQNIN-ZNMIVQPWSA-N 1 3 341.500 0.648 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418842322 438211703 /nfs/dbraw/zinc/21/17/03/438211703.db2.gz BJSKQIZJEADBIS-DLBZAZTESA-N 1 3 348.491 0.765 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418848745 438213971 /nfs/dbraw/zinc/21/39/71/438213971.db2.gz CDRKCDSTPTZEGH-ZBFHGGJFSA-N 1 3 334.464 0.390 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000418873751 438229691 /nfs/dbraw/zinc/22/96/91/438229691.db2.gz YQSJJAXPABLNLU-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@H]1[NH3+] ZINC000418875578 438230133 /nfs/dbraw/zinc/23/01/33/438230133.db2.gz KULWBSBNEXHLBH-FVQBIDKESA-N 1 3 332.448 0.081 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418941017 438257558 /nfs/dbraw/zinc/25/75/58/438257558.db2.gz HMLXZYJMFCCWJX-HNNXBMFYSA-N 1 3 334.464 0.691 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418946192 438260120 /nfs/dbraw/zinc/26/01/20/438260120.db2.gz MRWCLCUNBAGLRO-HOCLYGCPSA-N 1 3 332.448 0.491 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)Cc1ccccc1 ZINC000418950672 438262615 /nfs/dbraw/zinc/26/26/15/438262615.db2.gz QZRIZJJKHCCZNT-BHYGNILZSA-N 1 3 344.459 0.301 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N(C)Cc1ccccc1 ZINC000418954426 438264237 /nfs/dbraw/zinc/26/42/37/438264237.db2.gz WGAAZGCFFQETNT-CZUORRHYSA-N 1 3 332.448 0.477 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000418981947 438270605 /nfs/dbraw/zinc/27/06/05/438270605.db2.gz BNLFXKCSIVTEIA-GOSISDBHSA-N 1 3 332.448 0.562 20 0 ECADHO CN(CCCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Cc1ccccc1 ZINC000418989791 438274366 /nfs/dbraw/zinc/27/43/66/438274366.db2.gz BZVMTNGVOPKKIE-SJORKVTESA-N 1 3 344.459 0.445 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000418990577 438274674 /nfs/dbraw/zinc/27/46/74/438274674.db2.gz CXJREDZLOVCNJL-WBVHZDCISA-N 1 3 346.475 0.820 20 0 ECADHO CC1=CCN(CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000358671858 438275596 /nfs/dbraw/zinc/27/55/96/438275596.db2.gz UXSATVVQCSDPLA-UHFFFAOYSA-N 1 3 337.512 0.964 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCCN(Cc2ccccc2)CC1 ZINC000351517530 438276079 /nfs/dbraw/zinc/27/60/79/438276079.db2.gz AQTYMGNLTXEZFR-QGZVFWFLSA-N 1 3 344.459 0.589 20 0 ECADHO N[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000419000174 438279390 /nfs/dbraw/zinc/27/93/90/438279390.db2.gz OADKZZNFGBNBPX-MRXNPFEDSA-N 1 3 332.448 0.795 20 0 ECADHO NC[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000419016031 438287371 /nfs/dbraw/zinc/28/73/71/438287371.db2.gz LUEKNIAGYRTVHO-KRWDZBQOSA-N 1 3 344.459 0.752 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419022832 438290659 /nfs/dbraw/zinc/29/06/59/438290659.db2.gz IULHTINRMCQRJO-KFWWJZLASA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000419021899 438290911 /nfs/dbraw/zinc/29/09/11/438290911.db2.gz HJPTZBHZPKCKHL-RBSFLKMASA-N 1 3 338.496 0.870 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)CC1 ZINC000419097653 438320021 /nfs/dbraw/zinc/32/00/21/438320021.db2.gz FLYBCRXPRYFRTD-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000368391410 438325074 /nfs/dbraw/zinc/32/50/74/438325074.db2.gz BEJQSYKKIJZKFH-MQVJKMGUSA-N 1 3 339.480 0.618 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419117940 438329891 /nfs/dbraw/zinc/32/98/91/438329891.db2.gz HZPDVKUMTCTJKV-BZUAXINKSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420166386 438391397 /nfs/dbraw/zinc/39/13/97/438391397.db2.gz HYZQMKKZBDBSGQ-HUUCEWRRSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419377614 438355753 /nfs/dbraw/zinc/35/57/53/438355753.db2.gz UYSJIHPYSBEKDG-CVEARBPZSA-N 1 3 338.496 0.727 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCCc3cc(C[NH3+])ccc32)CC1=O ZINC000378191235 438360175 /nfs/dbraw/zinc/36/01/75/438360175.db2.gz SLCRRIHBJRVGAE-MRXNPFEDSA-N 1 3 344.459 0.835 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000352096918 438382437 /nfs/dbraw/zinc/38/24/37/438382437.db2.gz LZFHPGIKBLDAJV-GOSISDBHSA-N 1 3 346.475 0.651 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000352096918 438382442 /nfs/dbraw/zinc/38/24/42/438382442.db2.gz LZFHPGIKBLDAJV-GOSISDBHSA-N 1 3 346.475 0.651 20 0 ECADHO CC1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC[NH2+]CC1 ZINC000420096433 438387540 /nfs/dbraw/zinc/38/75/40/438387540.db2.gz ZQYNVCYNPWVJAZ-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391027452 438436676 /nfs/dbraw/zinc/43/66/76/438436676.db2.gz SWJRSGLYRLRWLU-SJORKVTESA-N 1 3 335.448 0.758 20 0 ECADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000420210015 438394839 /nfs/dbraw/zinc/39/48/39/438394839.db2.gz RZTKLOAMCWSTTI-OAGGEKHMSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000420336109 438398809 /nfs/dbraw/zinc/39/88/09/438398809.db2.gz VKQILRZAJKGAFF-IAGOWNOFSA-N 1 3 348.491 0.389 20 0 ECADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000359334663 438414577 /nfs/dbraw/zinc/41/45/77/438414577.db2.gz WKSURXRWDKOCBQ-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN(C)C2CC2)CC1=O ZINC000369035257 438415418 /nfs/dbraw/zinc/41/54/18/438415418.db2.gz DRKXQQCCAJCMAZ-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN(C)C2CC2)CC1=O ZINC000369035257 438415422 /nfs/dbraw/zinc/41/54/22/438415422.db2.gz DRKXQQCCAJCMAZ-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422265125 438538552 /nfs/dbraw/zinc/53/85/52/438538552.db2.gz VBPHQHDALNNGFC-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422265125 438538556 /nfs/dbraw/zinc/53/85/56/438538556.db2.gz VBPHQHDALNNGFC-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000422317469 438552415 /nfs/dbraw/zinc/55/24/15/438552415.db2.gz GAEYWLLHZATTNR-XHSDSOJGSA-N 1 3 338.496 0.917 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000422419377 438564797 /nfs/dbraw/zinc/56/47/97/438564797.db2.gz XZODXXLMNKKMDD-LZWOXQAQSA-N 1 3 336.480 0.669 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000422419377 438564799 /nfs/dbraw/zinc/56/47/99/438564799.db2.gz XZODXXLMNKKMDD-LZWOXQAQSA-N 1 3 336.480 0.669 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000422433011 438569504 /nfs/dbraw/zinc/56/95/04/438569504.db2.gz YBBUBPWKDYNCPC-FVQBIDKESA-N 1 3 336.480 0.526 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000422433011 438569505 /nfs/dbraw/zinc/56/95/05/438569505.db2.gz YBBUBPWKDYNCPC-FVQBIDKESA-N 1 3 336.480 0.526 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000440976858 438572914 /nfs/dbraw/zinc/57/29/14/438572914.db2.gz IRLVZEMVGFTOIT-HOTGVXAUSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000440976858 438572917 /nfs/dbraw/zinc/57/29/17/438572917.db2.gz IRLVZEMVGFTOIT-HOTGVXAUSA-N 1 3 337.512 0.938 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[C@@H](N(C)C)C1)C(C)C ZINC000410492920 438592030 /nfs/dbraw/zinc/59/20/30/438592030.db2.gz ZLLRIZMWVJMVAX-OAHLLOKOSA-N 1 3 326.485 0.726 20 0 ECADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000422841997 438611630 /nfs/dbraw/zinc/61/16/30/438611630.db2.gz DXBXVGCCZHHWGR-ROUUACIJSA-N 1 3 347.507 0.950 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000422970517 438622543 /nfs/dbraw/zinc/62/25/43/438622543.db2.gz GNFCFJVFGSSVMU-CZUORRHYSA-N 1 3 332.448 0.875 20 0 ECADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1CCCCN1 ZINC000422980463 438624503 /nfs/dbraw/zinc/62/45/03/438624503.db2.gz PSUGESZMSZBSTJ-MSOLQXFVSA-N 1 3 326.529 0.887 20 0 ECADHO COC[C@@H](CCC[NH3+])NCCN(C)S(=O)(=O)c1cccs1 ZINC000422995152 438625853 /nfs/dbraw/zinc/62/58/53/438625853.db2.gz JMBOTSXBXXDJDX-GFCCVEGCSA-N 1 3 335.495 0.712 20 0 ECADHO COC[C@@H](CCC[NH3+])N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000423123014 438639132 /nfs/dbraw/zinc/63/91/32/438639132.db2.gz KQJYDCGGKZPZNZ-LSDHHAIUSA-N 1 3 341.477 0.793 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423170176 438645241 /nfs/dbraw/zinc/64/52/41/438645241.db2.gz LEPGYXPULCFXDD-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423164782 438645867 /nfs/dbraw/zinc/64/58/67/438645867.db2.gz AGFXIKYSZHERDG-CRAIPNDOSA-N 1 3 336.480 0.661 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423185948 438646880 /nfs/dbraw/zinc/64/68/80/438646880.db2.gz KGRLMDSMPDKUBP-IIAWOOMASA-N 1 3 338.496 0.618 20 0 ECADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423207921 438647684 /nfs/dbraw/zinc/64/76/84/438647684.db2.gz SMABLNLEBADREF-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCN2CC[NH2+]CC2)c1 ZINC000423201962 438649082 /nfs/dbraw/zinc/64/90/82/438649082.db2.gz JTWNRZDFMFHNKP-CYBMUJFWSA-N 1 3 326.466 0.151 20 0 ECADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000423226090 438650429 /nfs/dbraw/zinc/65/04/29/438650429.db2.gz PJGPQISAUSYKFP-YJBOKZPZSA-N 1 3 336.480 0.661 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(C)c2)C1 ZINC000423255270 438652843 /nfs/dbraw/zinc/65/28/43/438652843.db2.gz BLEMIOBTFWVKQA-KRWDZBQOSA-N 1 3 346.475 0.706 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000423488402 438680935 /nfs/dbraw/zinc/68/09/35/438680935.db2.gz YUCKJQBFTCYIOP-OAHLLOKOSA-N 1 3 348.447 0.145 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000410805180 438659398 /nfs/dbraw/zinc/65/93/98/438659398.db2.gz KBLHNWSBIWXQNY-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000410805180 438659401 /nfs/dbraw/zinc/65/94/01/438659401.db2.gz KBLHNWSBIWXQNY-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000575073823 438735662 /nfs/dbraw/zinc/73/56/62/438735662.db2.gz XZLHBMHDSZONBE-IAGOWNOFSA-N 1 3 337.512 0.796 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)C1CC1 ZINC000553094884 438745350 /nfs/dbraw/zinc/74/53/50/438745350.db2.gz VPJRJQOECRCTPN-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)C1CC1 ZINC000553094884 438745352 /nfs/dbraw/zinc/74/53/52/438745352.db2.gz VPJRJQOECRCTPN-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)N(C)C ZINC000455432962 438746036 /nfs/dbraw/zinc/74/60/36/438746036.db2.gz OJAXILYVUHLKKA-PMRDEQMMSA-N 1 3 337.512 0.889 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)N(C)C ZINC000455432962 438746039 /nfs/dbraw/zinc/74/60/39/438746039.db2.gz OJAXILYVUHLKKA-PMRDEQMMSA-N 1 3 337.512 0.889 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000557227001 438795942 /nfs/dbraw/zinc/79/59/42/438795942.db2.gz CBNBVJUUKAEYMY-HUUCEWRRSA-N 1 3 337.468 0.077 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000576094133 438767808 /nfs/dbraw/zinc/76/78/08/438767808.db2.gz RRYIPWZJIDCPKL-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000576090469 438768190 /nfs/dbraw/zinc/76/81/90/438768190.db2.gz NOSLBKQBMFVQDI-AWEZNQCLSA-N 1 3 348.447 0.763 20 0 ECADHO O[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)Cn1cccn1 ZINC000576101451 438769423 /nfs/dbraw/zinc/76/94/23/438769423.db2.gz UQKUIQBCDUBOJB-SFHVURJKSA-N 1 3 344.463 0.441 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000576307869 438777345 /nfs/dbraw/zinc/77/73/45/438777345.db2.gz UYROIFBHCVLLIR-UHFFFAOYSA-N 1 3 337.468 0.089 20 0 ECADHO CN1CCN(C[C@@H](O)CNCCC[N@H+](C)C2CCCCC2)CC1 ZINC000556866321 438792730 /nfs/dbraw/zinc/79/27/30/438792730.db2.gz JDJKQIAVPWMUCV-SFHVURJKSA-N 1 3 326.529 0.839 20 0 ECADHO CN1CCN(C[C@@H](O)CNCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000556866321 438792733 /nfs/dbraw/zinc/79/27/33/438792733.db2.gz JDJKQIAVPWMUCV-SFHVURJKSA-N 1 3 326.529 0.839 20 0 ECADHO CN(C(=O)NCCN1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000577270161 438828929 /nfs/dbraw/zinc/82/89/29/438828929.db2.gz QTMHTPDBSVTPAK-SFHVURJKSA-N 1 3 345.491 0.808 20 0 ECADHO CS[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@H]1N1CCCC1 ZINC000601397327 438874141 /nfs/dbraw/zinc/87/41/41/438874141.db2.gz LLILRAYHLNAIJG-ZIAGYGMSSA-N 1 3 335.539 0.780 20 0 ECADHO CN1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000564861646 438879477 /nfs/dbraw/zinc/87/94/77/438879477.db2.gz FXQQKGIEFKHYHG-VQTJNVASSA-N 1 3 346.519 0.706 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564861646 438879480 /nfs/dbraw/zinc/87/94/80/438879480.db2.gz FXQQKGIEFKHYHG-VQTJNVASSA-N 1 3 346.519 0.706 20 0 ECADHO CN1CCN(C[C@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564861646 438879484 /nfs/dbraw/zinc/87/94/84/438879484.db2.gz FXQQKGIEFKHYHG-VQTJNVASSA-N 1 3 346.519 0.706 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000564937956 438890553 /nfs/dbraw/zinc/89/05/53/438890553.db2.gz QOVBZWMUTRKUJE-HIFRSBDPSA-N 1 3 334.468 0.832 20 0 ECADHO C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C1(CN)CCC1 ZINC000578511829 438928832 /nfs/dbraw/zinc/92/88/32/438928832.db2.gz GYVDWEYZUNQPFU-UHFFFAOYSA-N 1 3 331.464 0.934 20 0 ECADHO C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C1(CN)CCC1 ZINC000578511829 438928836 /nfs/dbraw/zinc/92/88/36/438928836.db2.gz GYVDWEYZUNQPFU-UHFFFAOYSA-N 1 3 331.464 0.934 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000565256043 438937236 /nfs/dbraw/zinc/93/72/36/438937236.db2.gz YQOBSEBPGCOIMF-DOTOQJQBSA-N 1 3 346.475 0.963 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000459322036 438956768 /nfs/dbraw/zinc/95/67/68/438956768.db2.gz SYLAAOWYOIBCGM-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000459322036 438956775 /nfs/dbraw/zinc/95/67/75/438956775.db2.gz SYLAAOWYOIBCGM-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000517233244 438957036 /nfs/dbraw/zinc/95/70/36/438957036.db2.gz MAPGESWMJMUGQE-NVXWUHKLSA-N 1 3 344.459 0.577 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000517233244 438957043 /nfs/dbraw/zinc/95/70/43/438957043.db2.gz MAPGESWMJMUGQE-NVXWUHKLSA-N 1 3 344.459 0.577 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC000517359663 438960359 /nfs/dbraw/zinc/96/03/59/438960359.db2.gz LHLZNGGSNBVIKN-BDXSIMOUSA-N 1 3 343.512 0.547 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC000517359663 438960363 /nfs/dbraw/zinc/96/03/63/438960363.db2.gz LHLZNGGSNBVIKN-BDXSIMOUSA-N 1 3 343.512 0.547 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000566370140 439047369 /nfs/dbraw/zinc/04/73/69/439047369.db2.gz ZQWSSJQWRVEFFS-MRXNPFEDSA-N 1 3 338.496 0.955 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[C@H]3CSCCN3)CC2)C1 ZINC000519643627 439050061 /nfs/dbraw/zinc/05/00/61/439050061.db2.gz KENBMXULWCGCKE-QLFBSQMISA-N 1 3 327.494 0.826 20 0 ECADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000566436597 439054440 /nfs/dbraw/zinc/05/44/40/439054440.db2.gz CMWRXRNCQJDBNN-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000566436597 439054443 /nfs/dbraw/zinc/05/44/43/439054443.db2.gz CMWRXRNCQJDBNN-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000579691925 439030039 /nfs/dbraw/zinc/03/00/39/439030039.db2.gz ZCJIRDGQNTZHRB-GDBMZVCRSA-N 1 3 349.483 0.958 20 0 ECADHO CCN(C(=O)C(=O)NC1C[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000566787643 439088267 /nfs/dbraw/zinc/08/82/67/439088267.db2.gz YQFAHUMKQUUKAI-PBHICJAKSA-N 1 3 344.459 0.758 20 0 ECADHO C[S@@](=O)C1(C(=O)N2CC[C@H](CN3CCCCC3)C2)CC[NH2+]CC1 ZINC000602485048 439098604 /nfs/dbraw/zinc/09/86/04/439098604.db2.gz MZCLAVYWDMYICR-IQMFZBJNSA-N 1 3 341.521 0.822 20 0 ECADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000521044952 439105108 /nfs/dbraw/zinc/10/51/08/439105108.db2.gz CXGREQSRFZNTDY-RHSMWYFYSA-N 1 3 344.459 0.481 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000580163816 439067880 /nfs/dbraw/zinc/06/78/80/439067880.db2.gz WZJDGBAFGHTXOD-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000460083959 439075472 /nfs/dbraw/zinc/07/54/72/439075472.db2.gz SLUNHTUBNOFPJL-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000521986746 439136164 /nfs/dbraw/zinc/13/61/64/439136164.db2.gz SKHNFPNPDPMNFM-ZDUSSCGKSA-N 1 3 347.454 0.699 20 0 ECADHO C[C@H](C(=O)N1CCOCC1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000581551274 439226475 /nfs/dbraw/zinc/22/64/75/439226475.db2.gz HQBMWODMOGCSTK-SJORKVTESA-N 1 3 338.496 0.241 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000568867434 439283577 /nfs/dbraw/zinc/28/35/77/439283577.db2.gz XGZVUIUEPCPMHQ-STQMWFEESA-N 1 3 340.493 0.880 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CC[NH2+]C2CC2)cc1 ZINC000581735747 439249196 /nfs/dbraw/zinc/24/91/96/439249196.db2.gz ARHCAXNBWYORAI-UHFFFAOYSA-N 1 3 332.448 0.736 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000569433453 439330614 /nfs/dbraw/zinc/33/06/14/439330614.db2.gz KRUCQCHIEYVCPP-JKSUJKDBSA-N 1 3 325.501 0.606 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccsc1 ZINC000569832108 439366328 /nfs/dbraw/zinc/36/63/28/439366328.db2.gz UXUALHAGJGPIAM-UHFFFAOYSA-N 1 3 326.466 0.316 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000582716029 439371510 /nfs/dbraw/zinc/37/15/10/439371510.db2.gz WETDOVDZASBLON-KSSFIOAISA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000606699728 439421395 /nfs/dbraw/zinc/42/13/95/439421395.db2.gz TXQHKKGNQCYSLZ-GOEBONIOSA-N 1 3 326.485 0.863 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000570500987 439425986 /nfs/dbraw/zinc/42/59/86/439425986.db2.gz ADMYKIDMOBUVRY-SJORKVTESA-N 1 3 331.464 0.464 20 0 ECADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000583216132 439437001 /nfs/dbraw/zinc/43/70/01/439437001.db2.gz BAGGCGJJUNHVSD-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000583216132 439437003 /nfs/dbraw/zinc/43/70/03/439437003.db2.gz BAGGCGJJUNHVSD-YOEHRIQHSA-N 1 3 348.491 0.672 20 0 ECADHO CCOC(=O)C[C@@H](O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000599371739 439450287 /nfs/dbraw/zinc/45/02/87/439450287.db2.gz QDRQBYAMIVMZPC-MRXNPFEDSA-N 1 3 341.496 0.650 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000571063138 439473725 /nfs/dbraw/zinc/47/37/25/439473725.db2.gz FMGXMUZXOBNIPQ-GOSISDBHSA-N 1 3 336.480 0.437 20 0 ECADHO [NH3+]CCCOC1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000583563512 439480266 /nfs/dbraw/zinc/48/02/66/439480266.db2.gz DEWLSBCYZPSJMY-KRWDZBQOSA-N 1 3 339.480 0.986 20 0 ECADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/C[NH+](C)C ZINC000492208824 439509485 /nfs/dbraw/zinc/50/94/85/439509485.db2.gz PJDXRNXGNNNXGM-YRYLYKBFSA-N 1 3 346.475 0.510 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000571746644 439526512 /nfs/dbraw/zinc/52/65/12/439526512.db2.gz CAQYPNGEJAOWFT-HUUCEWRRSA-N 1 3 336.480 0.707 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000594435426 439559118 /nfs/dbraw/zinc/55/91/18/439559118.db2.gz CGVJWRAGGSFRDU-MAUKXSAKSA-N 1 3 337.464 0.767 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000572824797 439610987 /nfs/dbraw/zinc/61/09/87/439610987.db2.gz XNMBLLJILCQFMJ-BRWVUGGUSA-N 1 3 337.512 0.938 20 0 ECADHO [NH3+]CCCn1cc(C(=O)NCC2CCN(c3ccncc3)CC2)nn1 ZINC000572833729 439612093 /nfs/dbraw/zinc/61/20/93/439612093.db2.gz HLIQLEHORVITTC-UHFFFAOYSA-N 1 3 343.435 0.668 20 0 ECADHO N[C@@H]1C[C@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CCN2C1=O ZINC000594873689 439636527 /nfs/dbraw/zinc/63/65/27/439636527.db2.gz KYHRELXJUNJNJK-JKSUJKDBSA-N 1 3 342.443 0.078 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3C[N@H+](CC)C[C@@H]3C)C2)CC1 ZINC000610678931 439638892 /nfs/dbraw/zinc/63/88/92/439638892.db2.gz GTLCVZZPZGMWDZ-BBWFWOEESA-N 1 3 337.512 0.748 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3C[N@@H+](CC)C[C@@H]3C)C2)CC1 ZINC000610678931 439638896 /nfs/dbraw/zinc/63/88/96/439638896.db2.gz GTLCVZZPZGMWDZ-BBWFWOEESA-N 1 3 337.512 0.748 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000573696257 439661495 /nfs/dbraw/zinc/66/14/95/439661495.db2.gz KJOGOJDUVCFYRD-WBVHZDCISA-N 1 3 346.475 0.691 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000573696257 439661497 /nfs/dbraw/zinc/66/14/97/439661497.db2.gz KJOGOJDUVCFYRD-WBVHZDCISA-N 1 3 346.475 0.691 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000573696254 439661759 /nfs/dbraw/zinc/66/17/59/439661759.db2.gz KJOGOJDUVCFYRD-NVXWUHKLSA-N 1 3 346.475 0.691 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000573696254 439661763 /nfs/dbraw/zinc/66/17/63/439661763.db2.gz KJOGOJDUVCFYRD-NVXWUHKLSA-N 1 3 346.475 0.691 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000573711583 439663663 /nfs/dbraw/zinc/66/36/63/439663663.db2.gz PQYRUWKRHNBCJF-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000612486928 439716672 /nfs/dbraw/zinc/71/66/72/439716672.db2.gz UQDNLHSMNVICLJ-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)C1 ZINC000612546838 439727202 /nfs/dbraw/zinc/72/72/02/439727202.db2.gz WCQMMISNRSMJNW-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC000612546838 439727205 /nfs/dbraw/zinc/72/72/05/439727205.db2.gz WCQMMISNRSMJNW-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000612547023 439727463 /nfs/dbraw/zinc/72/74/63/439727463.db2.gz YBAPMTYYQMFRQG-HOTGVXAUSA-N 1 3 338.496 0.681 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000612547023 439727465 /nfs/dbraw/zinc/72/74/65/439727465.db2.gz YBAPMTYYQMFRQG-HOTGVXAUSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@]1(NC(=O)NCCCN2CCN(c3ccncc3)CC2)CC[NH2+]C1 ZINC000612874916 439744100 /nfs/dbraw/zinc/74/41/00/439744100.db2.gz HVNOHJHAOHJIPO-SFHVURJKSA-N 1 3 346.479 0.645 20 0 ECADHO C[NH2+]CCCNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612911096 439745680 /nfs/dbraw/zinc/74/56/80/439745680.db2.gz DXFYCLZDGIQUOF-CQSZACIVSA-N 1 3 349.483 0.318 20 0 ECADHO CN(CCC(=O)N1CC(CN2CCN(C)CC2)C1)c1cc[nH+]cc1 ZINC000615273646 439797726 /nfs/dbraw/zinc/79/77/26/439797726.db2.gz WJXFENLOLBPJQO-UHFFFAOYSA-N 1 3 331.464 0.614 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O ZINC000616995546 439828506 /nfs/dbraw/zinc/82/85/06/439828506.db2.gz UIIXGERKOYIORY-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1=O ZINC000616995546 439828513 /nfs/dbraw/zinc/82/85/13/439828513.db2.gz UIIXGERKOYIORY-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO O=C(CCOC1C[NH2+]C1)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638264 439828754 /nfs/dbraw/zinc/82/87/54/439828754.db2.gz PUELKWSMXFPMNC-UHFFFAOYSA-N 1 3 332.448 0.788 20 0 ECADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662710142 439853551 /nfs/dbraw/zinc/85/35/51/439853551.db2.gz DKEGOELGGMETKH-WKILWMFISA-N 1 3 335.448 0.997 20 0 ECADHO CN(C(=O)CNC[C@H]1CCCO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900724 439931948 /nfs/dbraw/zinc/93/19/48/439931948.db2.gz PAQMSVFDIFFAFT-IAGOWNOFSA-N 1 3 338.496 0.382 20 0 ECADHO CN(C(=O)CNC[C@H]1CCCO1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900724 439931957 /nfs/dbraw/zinc/93/19/57/439931957.db2.gz PAQMSVFDIFFAFT-IAGOWNOFSA-N 1 3 338.496 0.382 20 0 ECADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC2(CN)CCOCC2)cc1 ZINC000626883609 439933504 /nfs/dbraw/zinc/93/35/04/439933504.db2.gz BJOIRVXVVFBDHQ-UHFFFAOYSA-N 1 3 348.447 0.353 20 0 ECADHO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626804425 439885322 /nfs/dbraw/zinc/88/53/22/439885322.db2.gz PTBYUAQFDCEWGO-CYBMUJFWSA-N 1 3 346.431 0.565 20 0 ECADHO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626804425 439885329 /nfs/dbraw/zinc/88/53/29/439885329.db2.gz PTBYUAQFDCEWGO-CYBMUJFWSA-N 1 3 346.431 0.565 20 0 ECADHO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626804427 439887073 /nfs/dbraw/zinc/88/70/73/439887073.db2.gz PTBYUAQFDCEWGO-ZDUSSCGKSA-N 1 3 346.431 0.565 20 0 ECADHO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626804427 439887079 /nfs/dbraw/zinc/88/70/79/439887079.db2.gz PTBYUAQFDCEWGO-ZDUSSCGKSA-N 1 3 346.431 0.565 20 0 ECADHO CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504852 439899983 /nfs/dbraw/zinc/89/99/83/439899983.db2.gz MYAZUIRNMGTQFM-GOEBONIOSA-N 1 3 326.485 0.776 20 0 ECADHO CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504852 439899988 /nfs/dbraw/zinc/89/99/88/439899988.db2.gz MYAZUIRNMGTQFM-GOEBONIOSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(C(N)=O)cc1 ZINC000617507011 439900933 /nfs/dbraw/zinc/90/09/33/439900933.db2.gz FHIUJLABJIUASX-AWEZNQCLSA-N 1 3 334.464 0.716 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(C(N)=O)cc1 ZINC000617507011 439900940 /nfs/dbraw/zinc/90/09/40/439900940.db2.gz FHIUJLABJIUASX-AWEZNQCLSA-N 1 3 334.464 0.716 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)C[C@H]2N)cn1 ZINC000662821118 439903573 /nfs/dbraw/zinc/90/35/73/439903573.db2.gz WFMDLJMNJWLJOT-DMDPSCGWSA-N 1 3 331.342 0.215 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)C[C@H]2N)cn1 ZINC000662821119 439904600 /nfs/dbraw/zinc/90/46/00/439904600.db2.gz WFMDLJMNJWLJOT-LOWVWBTDSA-N 1 3 331.342 0.215 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626839269 439906991 /nfs/dbraw/zinc/90/69/91/439906991.db2.gz FPWPSURCFCLIFA-HNNXBMFYSA-N 1 3 346.431 0.660 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652673420 439911568 /nfs/dbraw/zinc/91/15/68/439911568.db2.gz OWTAZIPZDLQWNE-QLFBSQMISA-N 1 3 338.496 0.714 20 0 ECADHO CC1(OCC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CNC1 ZINC000662845632 439912728 /nfs/dbraw/zinc/91/27/28/439912728.db2.gz ARCSNATWWOQZCI-UHFFFAOYSA-N 1 3 325.453 0.372 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000652678027 439915045 /nfs/dbraw/zinc/91/50/45/439915045.db2.gz PZDOSOGWIDRPAS-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000626859397 439918447 /nfs/dbraw/zinc/91/84/47/439918447.db2.gz UPRCUARLTZTMAV-UHFFFAOYSA-N 1 3 348.447 0.619 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652687728 439920533 /nfs/dbraw/zinc/92/05/33/439920533.db2.gz LCLNONYJTWVLJS-UHFFFAOYSA-N 1 3 332.448 0.610 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C)C(C)(C)C2)CC1 ZINC000641809922 439921281 /nfs/dbraw/zinc/92/12/81/439921281.db2.gz VZTLGHVQFPBUMI-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662954389 439968241 /nfs/dbraw/zinc/96/82/41/439968241.db2.gz SFAMLAJUOBESRE-RDJZCZTQSA-N 1 3 346.475 0.567 20 0 ECADHO CC(C)N1CCC(N(C)S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631911173 439972069 /nfs/dbraw/zinc/97/20/69/439972069.db2.gz XRWOYXAWYVPVLT-UHFFFAOYSA-N 1 3 332.514 0.720 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)[C@H](CN)C1 ZINC000662983665 439978523 /nfs/dbraw/zinc/97/85/23/439978523.db2.gz KYANQWMJEFVSBE-UGUYLWEFSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)[C@H](CN)C1 ZINC000662983665 439978529 /nfs/dbraw/zinc/97/85/29/439978529.db2.gz KYANQWMJEFVSBE-UGUYLWEFSA-N 1 3 336.480 0.515 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000641988311 439938283 /nfs/dbraw/zinc/93/82/83/439938283.db2.gz WGNCKYXYMNDITJ-IRXDYDNUSA-N 1 3 337.512 0.940 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000658538808 439986761 /nfs/dbraw/zinc/98/67/61/439986761.db2.gz OSFIHZOTPFLKCL-UHFFFAOYSA-N 1 3 332.448 0.749 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000642048651 439942667 /nfs/dbraw/zinc/94/26/67/439942667.db2.gz ATQBMEPCLKCZCS-KDOFPFPSSA-N 1 3 332.448 0.621 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCC23CC(C2)C[NH2+]3)CC1=O ZINC000662923755 439944828 /nfs/dbraw/zinc/94/48/28/439944828.db2.gz ZOCANCLOYILUTO-DGSCNEQVSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725848 439948018 /nfs/dbraw/zinc/94/80/18/439948018.db2.gz VPEPOEDLJQLKEZ-GASCZTMLSA-N 1 3 338.496 0.871 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636598444 439952063 /nfs/dbraw/zinc/95/20/63/439952063.db2.gz KLWZTRWJPVLSEL-ZBFHGGJFSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000626908866 439952653 /nfs/dbraw/zinc/95/26/53/439952653.db2.gz HQJKTKNQTCDNIG-SWLSCSKDSA-N 1 3 334.420 0.432 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000642785897 440037835 /nfs/dbraw/zinc/03/78/35/440037835.db2.gz PCQYXEGPGOCOGE-SUMWQHHRSA-N 1 3 344.459 0.923 20 0 ECADHO CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016710 439989511 /nfs/dbraw/zinc/98/95/11/439989511.db2.gz HVHWSLIAXHTPKJ-ZIAGYGMSSA-N 1 3 334.468 0.523 20 0 ECADHO COCCNCC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094135 439999060 /nfs/dbraw/zinc/99/90/60/439999060.db2.gz DEFKJTWPUKGPQV-UHFFFAOYSA-N 1 3 349.479 0.819 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000631954862 440009596 /nfs/dbraw/zinc/00/95/96/440009596.db2.gz YRQOIWHBRLJODP-GHMZBOCLSA-N 1 3 331.404 0.727 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627150995 440021706 /nfs/dbraw/zinc/02/17/06/440021706.db2.gz YEVGQNQYSBWJBS-UHFFFAOYSA-N 1 3 341.500 0.210 20 0 ECADHO C[C@H](CNC(=O)NCCN1CC[C@H](O)C1)[N@@H+](C)Cc1ccccc1 ZINC000636768623 440032110 /nfs/dbraw/zinc/03/21/10/440032110.db2.gz YHRFHOLHADIPAY-WBVHZDCISA-N 1 3 334.464 0.873 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@@H](CNC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000663372543 440061358 /nfs/dbraw/zinc/06/13/58/440061358.db2.gz NAKNSQJQDUAVQM-VQTJNVASSA-N 1 3 346.519 0.847 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000663372543 440061362 /nfs/dbraw/zinc/06/13/62/440061362.db2.gz NAKNSQJQDUAVQM-VQTJNVASSA-N 1 3 346.519 0.847 20 0 ECADHO CN(C[C@H](O)C[NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1)C1CC1 ZINC000663372543 440061366 /nfs/dbraw/zinc/06/13/66/440061366.db2.gz NAKNSQJQDUAVQM-VQTJNVASSA-N 1 3 346.519 0.847 20 0 ECADHO CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCCN1CCC(O)CC1 ZINC000647517984 440062911 /nfs/dbraw/zinc/06/29/11/440062911.db2.gz ZLSACZMCLLLQOD-LJQANCHMSA-N 1 3 335.492 0.916 20 0 ECADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111733 440066763 /nfs/dbraw/zinc/06/67/63/440066763.db2.gz YNIMXVVHXWDCAC-YOEHRIQHSA-N 1 3 339.505 0.700 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000642940142 440068358 /nfs/dbraw/zinc/06/83/58/440068358.db2.gz NFJHPHJTBFZNJO-CQSZACIVSA-N 1 3 326.485 0.809 20 0 ECADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642956710 440069681 /nfs/dbraw/zinc/06/96/81/440069681.db2.gz PWBYVVZEHICDOM-ZBFHGGJFSA-N 1 3 345.447 0.364 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643015067 440081598 /nfs/dbraw/zinc/08/15/98/440081598.db2.gz AMVLWSGKFLECFD-FIDHJVLJSA-N 1 3 348.491 0.576 20 0 ECADHO C[C@@H]1C[C@@H](N(C)S(=O)(=O)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000632026364 440045973 /nfs/dbraw/zinc/04/59/73/440045973.db2.gz DQARFSLDMMXJRJ-CVEARBPZSA-N 1 3 346.541 0.368 20 0 ECADHO C[C@@H]1C[C@@H](N(C)S(=O)(=O)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC000632026364 440045977 /nfs/dbraw/zinc/04/59/77/440045977.db2.gz DQARFSLDMMXJRJ-CVEARBPZSA-N 1 3 346.541 0.368 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642809741 440048499 /nfs/dbraw/zinc/04/84/99/440048499.db2.gz CUQPTKWNVOQMSQ-ILXRZTDVSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(=O)NCC[NH+](C)C ZINC000647717215 440127986 /nfs/dbraw/zinc/12/79/86/440127986.db2.gz CXFXKRZJFYARPU-GOEBONIOSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)CCC[NH+](C)C ZINC000632231704 440129543 /nfs/dbraw/zinc/12/95/43/440129543.db2.gz BOPJIVRAJXFYMD-UHFFFAOYSA-N 1 3 334.530 0.226 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000663628003 440130571 /nfs/dbraw/zinc/13/05/71/440130571.db2.gz BWGKVDFKJWZVTC-INIZCTEOSA-N 1 3 327.517 0.901 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H]1O ZINC000663631811 440131434 /nfs/dbraw/zinc/13/14/34/440131434.db2.gz BJNSYJGHTTUMKO-HOTGVXAUSA-N 1 3 326.485 0.957 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H]1O ZINC000663631811 440131438 /nfs/dbraw/zinc/13/14/38/440131438.db2.gz BJNSYJGHTTUMKO-HOTGVXAUSA-N 1 3 326.485 0.957 20 0 ECADHO CCN(C(=O)C(=O)N(C)CC1CC[NH+](C)CC1)[C@@H]1CCN(CC)C1 ZINC000658827917 440142245 /nfs/dbraw/zinc/14/22/45/440142245.db2.gz YILJGSVFVRIDOW-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000627293699 440102045 /nfs/dbraw/zinc/10/20/45/440102045.db2.gz ZUDFUTMLJILVQT-YESZJQIVSA-N 1 3 346.475 0.532 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[NH2+]1 ZINC000627292186 440102266 /nfs/dbraw/zinc/10/22/66/440102266.db2.gz NZCIUHJRZGJGJY-PVAVHDDUSA-N 1 3 346.475 0.532 20 0 ECADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000618988977 440185094 /nfs/dbraw/zinc/18/50/94/440185094.db2.gz IQDLIXOFXGKSFT-CVEARBPZSA-N 1 3 338.496 0.633 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494617 440186828 /nfs/dbraw/zinc/18/68/28/440186828.db2.gz OAPBZPYHJVOCSK-IXDOHACOSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643503481 440190459 /nfs/dbraw/zinc/19/04/59/440190459.db2.gz FDQKICKNGUSPRH-GJZGRUSLSA-N 1 3 336.480 0.659 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663941082 440200108 /nfs/dbraw/zinc/20/01/08/440200108.db2.gz JFDIXBUJLZLSMU-CQSZACIVSA-N 1 3 329.489 0.378 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663941082 440200113 /nfs/dbraw/zinc/20/01/13/440200113.db2.gz JFDIXBUJLZLSMU-CQSZACIVSA-N 1 3 329.489 0.378 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000653391982 440150763 /nfs/dbraw/zinc/15/07/63/440150763.db2.gz PJFHJTMGIZKUKX-INIZCTEOSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000653391982 440150770 /nfs/dbraw/zinc/15/07/70/440150770.db2.gz PJFHJTMGIZKUKX-INIZCTEOSA-N 1 3 338.496 0.681 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627366328 440157338 /nfs/dbraw/zinc/15/73/38/440157338.db2.gz PDQNNXSSPYSJJY-MRXNPFEDSA-N 1 3 332.448 0.432 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627366328 440157345 /nfs/dbraw/zinc/15/73/45/440157345.db2.gz PDQNNXSSPYSJJY-MRXNPFEDSA-N 1 3 332.448 0.432 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)[C@H]1C[NH3+] ZINC000643593332 440217649 /nfs/dbraw/zinc/21/76/49/440217649.db2.gz FBVGBGOHPULDOS-HOCLYGCPSA-N 1 3 345.447 0.316 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C[NH2+]1 ZINC000627483506 440236113 /nfs/dbraw/zinc/23/61/13/440236113.db2.gz HEEGAOHSKSPDGO-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000643545398 440208248 /nfs/dbraw/zinc/20/82/48/440208248.db2.gz LHELIZWXTGCZFG-NPJQDHAYSA-N 1 3 334.464 0.267 20 0 ECADHO C[C@H](CCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2)[NH+](C)C ZINC000659094990 440242042 /nfs/dbraw/zinc/24/20/42/440242042.db2.gz VAUVDQNURGZUJD-LLVKDONJSA-N 1 3 336.411 0.866 20 0 ECADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000648129761 440238872 /nfs/dbraw/zinc/23/88/72/440238872.db2.gz KKLIIOTXEGMUPG-GFCCVEGCSA-N 1 3 331.482 0.048 20 0 ECADHO C[C@H](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)[NH+](C)C ZINC000659093795 440240368 /nfs/dbraw/zinc/24/03/68/440240368.db2.gz DCVDUGRAYDYPJN-GFCCVEGCSA-N 1 3 334.420 0.564 20 0 ECADHO NC1(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)Cc2ccccc2C1 ZINC000648147481 440245075 /nfs/dbraw/zinc/24/50/75/440245075.db2.gz FJIHBDBTGJCBNT-MRXNPFEDSA-N 1 3 329.444 0.697 20 0 ECADHO Cc1cc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)ccc1CN(C)C ZINC000659103841 440250564 /nfs/dbraw/zinc/25/05/64/440250564.db2.gz BKTLYXIVXDTFHN-UHFFFAOYSA-N 1 3 330.432 0.863 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000664220683 440261445 /nfs/dbraw/zinc/26/14/45/440261445.db2.gz XRRJBPDOCIVJIO-ZIAGYGMSSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[N@H+]1C ZINC000664220683 440261452 /nfs/dbraw/zinc/26/14/52/440261452.db2.gz XRRJBPDOCIVJIO-ZIAGYGMSSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664409085 440306456 /nfs/dbraw/zinc/30/64/56/440306456.db2.gz SOMOFPSWDULHDA-XOKHGSTOSA-N 1 3 336.480 0.710 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664409085 440306460 /nfs/dbraw/zinc/30/64/60/440306460.db2.gz SOMOFPSWDULHDA-XOKHGSTOSA-N 1 3 336.480 0.710 20 0 ECADHO N[C@@H]1CCCCN(CC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1=O ZINC000643800993 440324055 /nfs/dbraw/zinc/32/40/55/440324055.db2.gz OPGIRSMDAYOEND-HZPDHXFCSA-N 1 3 332.448 0.923 20 0 ECADHO C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@@H+]1CCC[C@H](C)C1 ZINC000659435304 440325150 /nfs/dbraw/zinc/32/51/50/440325150.db2.gz XMCKGNZKSJRBGV-NWDGAFQWSA-N 1 3 336.440 0.561 20 0 ECADHO C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@H+]1CCC[C@H](C)C1 ZINC000659435304 440325156 /nfs/dbraw/zinc/32/51/56/440325156.db2.gz XMCKGNZKSJRBGV-NWDGAFQWSA-N 1 3 336.440 0.561 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659449048 440328002 /nfs/dbraw/zinc/32/80/02/440328002.db2.gz PAPXUIUTTGTDEG-MRXNPFEDSA-N 1 3 326.485 0.986 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659446460 440328909 /nfs/dbraw/zinc/32/89/09/440328909.db2.gz DWDWVVADYYDENP-UHFFFAOYSA-N 1 3 336.440 0.562 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659447492 440329543 /nfs/dbraw/zinc/32/95/43/440329543.db2.gz PSYWRZCXXHWPCQ-UHFFFAOYSA-N 1 3 336.440 0.705 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000659466436 440333881 /nfs/dbraw/zinc/33/38/81/440333881.db2.gz PWCMHSRAOGVUHX-UHFFFAOYSA-N 1 3 348.451 0.847 20 0 ECADHO CN1CCC(n2cc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000633030510 440414898 /nfs/dbraw/zinc/41/48/98/440414898.db2.gz INPYRPMMUIDJGH-BETUJISGSA-N 1 3 346.435 0.051 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)ccc1OCCN(C)C ZINC000633039432 440418262 /nfs/dbraw/zinc/41/82/62/440418262.db2.gz KOKYFKYTNKIHPS-ZIAGYGMSSA-N 1 3 348.447 0.822 20 0 ECADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)C1 ZINC000659629575 440382157 /nfs/dbraw/zinc/38/21/57/440382157.db2.gz HFGBJXVDEDYXFN-MRXNPFEDSA-N 1 3 334.424 0.268 20 0 ECADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)C1 ZINC000659629575 440382162 /nfs/dbraw/zinc/38/21/62/440382162.db2.gz HFGBJXVDEDYXFN-MRXNPFEDSA-N 1 3 334.424 0.268 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CN1CCC(C)(C)C1 ZINC000654693688 440382635 /nfs/dbraw/zinc/38/26/35/440382635.db2.gz KQYZJWHLXYZDKA-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN1CCC(C)(C)C1 ZINC000654693688 440382641 /nfs/dbraw/zinc/38/26/41/440382641.db2.gz KQYZJWHLXYZDKA-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631872 440383828 /nfs/dbraw/zinc/38/38/28/440383828.db2.gz JEXIYVJJZDBFNQ-LBPRGKRZSA-N 1 3 336.440 0.514 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631872 440383836 /nfs/dbraw/zinc/38/38/36/440383836.db2.gz JEXIYVJJZDBFNQ-LBPRGKRZSA-N 1 3 336.440 0.514 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000649072813 440386586 /nfs/dbraw/zinc/38/65/86/440386586.db2.gz JHVBJOFBVXXENJ-GDBMZVCRSA-N 1 3 336.480 0.972 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000649072813 440386591 /nfs/dbraw/zinc/38/65/91/440386591.db2.gz JHVBJOFBVXXENJ-GDBMZVCRSA-N 1 3 336.480 0.972 20 0 ECADHO Cc1cc(N)cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000632995622 440401556 /nfs/dbraw/zinc/40/15/56/440401556.db2.gz QJXAHIIVMKHUMY-UHFFFAOYSA-N 1 3 335.452 0.468 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)Cc1ccccc1 ZINC000659673757 440409176 /nfs/dbraw/zinc/40/91/76/440409176.db2.gz GZKGZTUNOHADRU-INIZCTEOSA-N 1 3 346.475 0.663 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659675605 440409391 /nfs/dbraw/zinc/40/93/91/440409391.db2.gz RWPQSPQQDJMFLU-UONOGXRCSA-N 1 3 326.485 0.727 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659675140 440410804 /nfs/dbraw/zinc/41/08/04/440410804.db2.gz ZFOGYRFTJCBEFD-OAHLLOKOSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000649321199 440461505 /nfs/dbraw/zinc/46/15/05/440461505.db2.gz OCUZAQSNJFHCEQ-UHOFOFEASA-N 1 3 333.436 0.158 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000649327807 440465181 /nfs/dbraw/zinc/46/51/81/440465181.db2.gz LITUUOPMRIDNBR-ZSHCYNCHSA-N 1 3 330.432 0.060 20 0 ECADHO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000638227152 440480333 /nfs/dbraw/zinc/48/03/33/440480333.db2.gz OBLJGRYNYHCWNS-ULQDDVLXSA-N 1 3 332.448 0.035 20 0 ECADHO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000638227152 440480339 /nfs/dbraw/zinc/48/03/39/440480339.db2.gz OBLJGRYNYHCWNS-ULQDDVLXSA-N 1 3 332.448 0.035 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659699016 440431901 /nfs/dbraw/zinc/43/19/01/440431901.db2.gz NITCQBRPEICQPB-SYJJWHGVSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659699016 440431906 /nfs/dbraw/zinc/43/19/06/440431906.db2.gz NITCQBRPEICQPB-SYJJWHGVSA-N 1 3 336.480 0.564 20 0 ECADHO CN(C)CCn1ccc(NC(=O)Cc2cccc3c2CC[NH2+]C3)n1 ZINC000638088859 440433614 /nfs/dbraw/zinc/43/36/14/440433614.db2.gz LFPOYXQFOVPZBB-UHFFFAOYSA-N 1 3 327.432 1.272 20 0 ECADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000633109463 440450241 /nfs/dbraw/zinc/45/02/41/440450241.db2.gz ODCAZKBSAKOAIP-UHFFFAOYSA-N 1 3 334.464 0.413 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659716742 440450995 /nfs/dbraw/zinc/45/09/95/440450995.db2.gz XVDJANOKCPFXOC-RBSFLKMASA-N 1 3 336.480 0.896 20 0 ECADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000638135800 440454999 /nfs/dbraw/zinc/45/49/99/440454999.db2.gz WFRIQDIXOKIUSA-RDJZCZTQSA-N 1 3 327.469 0.759 20 0 ECADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000655295803 440526114 /nfs/dbraw/zinc/52/61/14/440526114.db2.gz AWUOPAXPWKJGAB-DLBZAZTESA-N 1 3 344.459 0.884 20 0 ECADHO CC1[C@H](C(=O)NC[C@H]2CCCN2C)[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000628648190 440526562 /nfs/dbraw/zinc/52/65/62/440526562.db2.gz HBIJCIVGAMPIQP-WCVJEAGWSA-N 1 3 336.480 0.289 20 0 ECADHO CC1[C@H](C(=O)NC[C@H]2CCCN2C)[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000628648190 440526567 /nfs/dbraw/zinc/52/65/67/440526567.db2.gz HBIJCIVGAMPIQP-WCVJEAGWSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000665762553 440527584 /nfs/dbraw/zinc/52/75/84/440527584.db2.gz IIXFCPGULGFDMM-BBRMVZONSA-N 1 3 327.473 0.165 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000665762553 440527588 /nfs/dbraw/zinc/52/75/88/440527588.db2.gz IIXFCPGULGFDMM-BBRMVZONSA-N 1 3 327.473 0.165 20 0 ECADHO O=C(CN1CCNCC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000638410497 440528641 /nfs/dbraw/zinc/52/86/41/440528641.db2.gz DDKHEVKKRIONEF-BBRMVZONSA-N 1 3 338.402 0.432 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000659742775 440480563 /nfs/dbraw/zinc/48/05/63/440480563.db2.gz VVZCCLRYEPAQAG-LSDHHAIUSA-N 1 3 342.484 0.045 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000638527506 440562588 /nfs/dbraw/zinc/56/25/88/440562588.db2.gz USKARMPJCDQVIT-QAPCUYQASA-N 1 3 330.432 0.916 20 0 ECADHO C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C1CC[NH+](C)CC1 ZINC000655576479 440593155 /nfs/dbraw/zinc/59/31/55/440593155.db2.gz OKFJJXXJPLNHIW-HOCLYGCPSA-N 1 3 326.485 0.863 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000638729536 440609459 /nfs/dbraw/zinc/60/94/59/440609459.db2.gz QPNUMPPCNIPOEF-HNNXBMFYSA-N 1 3 325.453 0.468 20 0 ECADHO O=C(C[C@H]1CSCCN1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638785188 440624174 /nfs/dbraw/zinc/62/41/74/440624174.db2.gz ZYJUCLSHUMMQRN-GJZGRUSLSA-N 1 3 327.494 0.699 20 0 ECADHO C[NH+]1CCC(n2cc(NC(=O)CN3CCCC[C@H](N)C3=O)cn2)CC1 ZINC000638976852 440657052 /nfs/dbraw/zinc/65/70/52/440657052.db2.gz FIHUOPQJWBIKNM-HNNXBMFYSA-N 1 3 348.451 0.428 20 0 ECADHO Cc1cc(NC(=O)CC[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)no1 ZINC000644570848 440644364 /nfs/dbraw/zinc/64/43/64/440644364.db2.gz CJHWYKSNRMJURN-AWEZNQCLSA-N 1 3 336.436 1.402 20 0 ECADHO C[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CN1CCN(C)CC1 ZINC000655920996 440644533 /nfs/dbraw/zinc/64/45/33/440644533.db2.gz VJJCHFKDOSVYTR-QWRGUYRKSA-N 1 3 325.379 0.059 20 0 ECADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C3CC3)C2)CC1 ZINC000634704867 440691504 /nfs/dbraw/zinc/69/15/04/440691504.db2.gz QPSBGZMNTSDPDC-CGTJXYLNSA-N 1 3 325.497 0.657 20 0 ECADHO CO[C@@H](CNCC(=O)NCC[NH+]1CCCCCC1)[C@H]1CCOC1 ZINC000639204944 440693351 /nfs/dbraw/zinc/69/33/51/440693351.db2.gz GHTDNGIVUZACSL-HOTGVXAUSA-N 1 3 327.469 0.620 20 0 ECADHO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000634709819 440694228 /nfs/dbraw/zinc/69/42/28/440694228.db2.gz ONAXVXDHQDAFEE-WDSOQIARSA-N 1 3 333.476 0.932 20 0 ECADHO C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000634709819 440694234 /nfs/dbraw/zinc/69/42/34/440694234.db2.gz ONAXVXDHQDAFEE-WDSOQIARSA-N 1 3 333.476 0.932 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656023227 440694274 /nfs/dbraw/zinc/69/42/74/440694274.db2.gz YVWRVLWSDLEJGG-VGWMRTNUSA-N 1 3 336.480 0.753 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656028247 440697515 /nfs/dbraw/zinc/69/75/15/440697515.db2.gz JKAZEYSMPGCGRK-PMPSAXMXSA-N 1 3 338.496 0.951 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4COC[C@@H]4C3)CC2)CC1 ZINC000634843592 440717187 /nfs/dbraw/zinc/71/71/87/440717187.db2.gz QVASKDDBZKDOAN-GASCZTMLSA-N 1 3 336.480 0.833 20 0 ECADHO CN(C)S(=O)(=O)c1ccc(OCCN(C)CCOCC[NH3+])cc1 ZINC000629579421 440738338 /nfs/dbraw/zinc/73/83/38/440738338.db2.gz MTVOYZMZNIMZGI-UHFFFAOYSA-N 1 3 345.465 0.223 20 0 ECADHO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000629584353 440739095 /nfs/dbraw/zinc/73/90/95/440739095.db2.gz SLKDUDXGJJMOLI-SLFFLAALSA-N 1 3 347.503 0.916 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591872 440740949 /nfs/dbraw/zinc/74/09/49/440740949.db2.gz PUNBENRFOSDQFX-OAHLLOKOSA-N 1 3 333.498 0.406 20 0 ECADHO CN1CC[NH+](CCCCNC(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000635278781 440805736 /nfs/dbraw/zinc/80/57/36/440805736.db2.gz NSIWPXSTTYQGIY-UHFFFAOYSA-N 1 3 340.512 0.489 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000629795082 440763013 /nfs/dbraw/zinc/76/30/13/440763013.db2.gz YRBBTDDPEFMFJS-JKSUJKDBSA-N 1 3 338.496 0.907 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000629795082 440763017 /nfs/dbraw/zinc/76/30/17/440763017.db2.gz YRBBTDDPEFMFJS-JKSUJKDBSA-N 1 3 338.496 0.907 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)C2 ZINC000629796671 440764320 /nfs/dbraw/zinc/76/43/20/440764320.db2.gz RQRONNSWISMPAH-OLMNPRSZSA-N 1 3 334.464 0.141 20 0 ECADHO CCN(CCN)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629795362 440764854 /nfs/dbraw/zinc/76/48/54/440764854.db2.gz CASAOFZZFPJCLS-QGZVFWFLSA-N 1 3 346.475 0.774 20 0 ECADHO CCN(CCN)C(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629795362 440764857 /nfs/dbraw/zinc/76/48/57/440764857.db2.gz CASAOFZZFPJCLS-QGZVFWFLSA-N 1 3 346.475 0.774 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000645263185 440773052 /nfs/dbraw/zinc/77/30/52/440773052.db2.gz MBJFULHWDBXORT-CABCVRRESA-N 1 3 339.484 0.480 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000645263185 440773054 /nfs/dbraw/zinc/77/30/54/440773054.db2.gz MBJFULHWDBXORT-CABCVRRESA-N 1 3 339.484 0.480 20 0 ECADHO CC(C)N1CCN(CCC[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CC1 ZINC000639944088 440834383 /nfs/dbraw/zinc/83/43/83/440834383.db2.gz IRRGJRUYORAEPZ-QZTJIDSGSA-N 1 3 336.480 0.387 20 0 ECADHO CN1c2ccccc2C[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)C1=O ZINC000656787179 440849022 /nfs/dbraw/zinc/84/90/22/440849022.db2.gz FWHBNOZQNXQZNC-DZGCQCFKSA-N 1 3 330.432 0.361 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000635549225 440892630 /nfs/dbraw/zinc/89/26/30/440892630.db2.gz FIEIKPVJXPDNKT-MRXNPFEDSA-N 1 3 327.469 0.524 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000635549225 440892635 /nfs/dbraw/zinc/89/26/35/440892635.db2.gz FIEIKPVJXPDNKT-MRXNPFEDSA-N 1 3 327.469 0.524 20 0 ECADHO O=C(N[C@H](CO)CN1CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000640322818 440902156 /nfs/dbraw/zinc/90/21/56/440902156.db2.gz XRKVNVDMTFFXLD-JKSUJKDBSA-N 1 3 341.521 0.777 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000661946636 440942017 /nfs/dbraw/zinc/94/20/17/440942017.db2.gz KYLMNXJKSGEPRL-UONOGXRCSA-N 1 3 325.457 0.232 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000661946636 440942022 /nfs/dbraw/zinc/94/20/22/440942022.db2.gz KYLMNXJKSGEPRL-UONOGXRCSA-N 1 3 325.457 0.232 20 0 ECADHO Cc1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000645953177 440954541 /nfs/dbraw/zinc/95/45/41/440954541.db2.gz GQMZIPGFOYCUQH-CQSZACIVSA-N 1 3 332.452 0.725 20 0 ECADHO CN(C)[C@@H](CNC(=O)Cn1cc(COCC[NH3+])nn1)c1ccccc1 ZINC000640837546 441003284 /nfs/dbraw/zinc/00/32/84/441003284.db2.gz ULRSMJIWISEIBL-INIZCTEOSA-N 1 3 346.435 0.173 20 0 ECADHO CC[C@@H](NC(C)=O)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000630880015 440973804 /nfs/dbraw/zinc/97/38/04/440973804.db2.gz PDKWJHHFICMHNJ-JKSUJKDBSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](NC(C)=O)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000630880015 440973813 /nfs/dbraw/zinc/97/38/13/440973813.db2.gz PDKWJHHFICMHNJ-JKSUJKDBSA-N 1 3 326.485 0.776 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641041449 441051104 /nfs/dbraw/zinc/05/11/04/441051104.db2.gz CBPGMYJNKSQGDH-OAHLLOKOSA-N 1 3 339.484 0.324 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCn3nc4ccccn4c3=O)C2)C1 ZINC000652347535 441057230 /nfs/dbraw/zinc/05/72/30/441057230.db2.gz DBINEZFUHPPVOA-OAGGEKHMSA-N 1 3 345.447 0.714 20 0 ECADHO CCS(=O)(=O)NCCCN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363940 441059793 /nfs/dbraw/zinc/05/97/93/441059793.db2.gz SQBNFTVJULVYQQ-RRFJBIMHSA-N 1 3 333.498 0.677 20 0 ECADHO CN(Cc1ccccc1)C[C@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641215145 441077198 /nfs/dbraw/zinc/07/71/98/441077198.db2.gz NXXYUEBUZNXVNT-WMZOPIPTSA-N 1 3 329.448 0.923 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641215143 441077386 /nfs/dbraw/zinc/07/73/86/441077386.db2.gz NXXYUEBUZNXVNT-FUHWJXTLSA-N 1 3 329.448 0.923 20 0 ECADHO COC[C@@H](CC1CCOCC1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000657870471 441079514 /nfs/dbraw/zinc/07/95/14/441079514.db2.gz DQQUMBTUWVFGML-DLBZAZTESA-N 1 3 341.496 0.995 20 0 ECADHO COC[C@@H](CC1CCOCC1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000657870471 441079518 /nfs/dbraw/zinc/07/95/18/441079518.db2.gz DQQUMBTUWVFGML-DLBZAZTESA-N 1 3 341.496 0.995 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000641279240 441086842 /nfs/dbraw/zinc/08/68/42/441086842.db2.gz ULWSJGOSDOSKMS-IAGOWNOFSA-N 1 3 337.512 0.925 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284742114 320634988 /nfs/dbraw/zinc/63/49/88/320634988.db2.gz HQOWCWRJYYLPAD-QGZVFWFLSA-N 1 3 346.475 0.486 20 0 ECADHO CN(CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000340103936 321016730 /nfs/dbraw/zinc/01/67/30/321016730.db2.gz GSOLDXBBXQRLQE-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)CN1C1CC1 ZINC000340203393 321021248 /nfs/dbraw/zinc/02/12/48/321021248.db2.gz MTOFSBVYXNEWFM-HUUCEWRRSA-N 1 3 336.480 0.576 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000340219744 321024593 /nfs/dbraw/zinc/02/45/93/321024593.db2.gz YYHJLFAOYRSFEA-JKSUJKDBSA-N 1 3 338.496 0.683 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000340219744 321024594 /nfs/dbraw/zinc/02/45/94/321024594.db2.gz YYHJLFAOYRSFEA-JKSUJKDBSA-N 1 3 338.496 0.683 20 0 ECADHO CN(CCN1CCCC1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340248637 321028786 /nfs/dbraw/zinc/02/87/86/321028786.db2.gz DXWHSYUJDUPFLJ-UHFFFAOYSA-N 1 3 325.501 0.750 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340260072 321031213 /nfs/dbraw/zinc/03/12/13/321031213.db2.gz PIPHXJAZNMXNPX-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340260072 321031214 /nfs/dbraw/zinc/03/12/14/321031214.db2.gz PIPHXJAZNMXNPX-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000343634108 321140296 /nfs/dbraw/zinc/14/02/96/321140296.db2.gz GBPAODYAYHRBHW-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000347380900 321238038 /nfs/dbraw/zinc/23/80/38/321238038.db2.gz ABSWQSGBHJPSEL-UHFFFAOYSA-N 1 3 326.485 0.779 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCN1C ZINC000347974935 321261333 /nfs/dbraw/zinc/26/13/33/321261333.db2.gz WPCIWLRZWNPMCT-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCN1C ZINC000347974935 321261335 /nfs/dbraw/zinc/26/13/35/321261335.db2.gz WPCIWLRZWNPMCT-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347977409 321261976 /nfs/dbraw/zinc/26/19/76/321261976.db2.gz OJEIULYEMCXGTR-XHSDSOJGSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347977409 321261977 /nfs/dbraw/zinc/26/19/77/321261977.db2.gz OJEIULYEMCXGTR-XHSDSOJGSA-N 1 3 338.496 0.679 20 0 ECADHO CN1CCC(CNC(=O)C(N)C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000353501931 321395771 /nfs/dbraw/zinc/39/57/71/321395771.db2.gz BGHGSZBHLFENFE-LBPRGKRZSA-N 1 3 336.402 0.943 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)C(C)(C)C[NH+](C)C ZINC000358830662 321576527 /nfs/dbraw/zinc/57/65/27/321576527.db2.gz QQFJSFVWGDLCLF-KGLIPLIRSA-N 1 3 326.485 0.632 20 0 ECADHO CC1C[C@@H](C(=O)N(C)CCN(C)C)[C@H](C(=O)N(C)CC[NH+](C)C)C1 ZINC000360751937 321611219 /nfs/dbraw/zinc/61/12/19/321611219.db2.gz CHDKFZAIWOYYGG-HZPDHXFCSA-N 1 3 340.512 0.689 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528416163 322024518 /nfs/dbraw/zinc/02/45/18/322024518.db2.gz URBINBYCSABZLO-OAHLLOKOSA-N 1 3 327.469 0.042 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000531811330 322045703 /nfs/dbraw/zinc/04/57/03/322045703.db2.gz KKOUMGGPLZISSO-USXIJHARSA-N 1 3 338.496 0.861 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000532790163 322061001 /nfs/dbraw/zinc/06/10/01/322061001.db2.gz GBMNKXFXPMJEPU-FUHWJXTLSA-N 1 3 334.464 0.722 20 0 ECADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545883555 322111232 /nfs/dbraw/zinc/11/12/32/322111232.db2.gz MNROPLSHYXHANY-IVSAIRAKSA-N 1 3 326.485 0.719 20 0 ECADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545883555 322111234 /nfs/dbraw/zinc/11/12/34/322111234.db2.gz MNROPLSHYXHANY-IVSAIRAKSA-N 1 3 326.485 0.719 20 0 ECADHO CCO[C@@H]1COCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000546121844 322116390 /nfs/dbraw/zinc/11/63/90/322116390.db2.gz LFXWWOJVEJLOFG-HUUCEWRRSA-N 1 3 330.473 0.315 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CCN(CC(F)F)CC1 ZINC000554579101 322174325 /nfs/dbraw/zinc/17/43/25/322174325.db2.gz DASQNQQPHXABSC-UHFFFAOYSA-N 1 3 334.455 0.915 20 0 ECADHO C[C@H](OCC(=O)N(CCN(C)C)CC[NH+](C)C)c1nccn1C ZINC000554579268 322174378 /nfs/dbraw/zinc/17/43/78/322174378.db2.gz ZRRJVLBNDLKLLS-AWEZNQCLSA-N 1 3 325.457 0.450 20 0 ECADHO CN1CCC[C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000561152522 322254537 /nfs/dbraw/zinc/25/45/37/322254537.db2.gz IRNIIYIVMCRDHQ-NWDGAFQWSA-N 1 3 337.390 0.216 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000561243400 322257542 /nfs/dbraw/zinc/25/75/42/322257542.db2.gz KFRVASYCVNGABC-RBSFLKMASA-N 1 3 326.485 0.585 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000563088533 322297005 /nfs/dbraw/zinc/29/70/05/322297005.db2.gz KZGBBYCUKIILAH-FSZRXZPDSA-N 1 3 336.480 0.025 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563303956 322308579 /nfs/dbraw/zinc/30/85/79/322308579.db2.gz UGBLHGQKAKQRJQ-UHFFFAOYSA-N 1 3 326.485 0.620 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000564739555 322391082 /nfs/dbraw/zinc/39/10/82/322391082.db2.gz JPDMMIICVYSUPO-XIRDDKMYSA-N 1 3 344.459 0.634 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000564935913 322410342 /nfs/dbraw/zinc/41/03/42/322410342.db2.gz GJJXWIJUOMNFKI-STQMWFEESA-N 1 3 327.473 0.354 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1(C)C ZINC000565715905 322472853 /nfs/dbraw/zinc/47/28/53/322472853.db2.gz VLMBDXVSDYPJRK-PMUMKWKESA-N 1 3 339.480 0.733 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000566236685 322516622 /nfs/dbraw/zinc/51/66/22/322516622.db2.gz INAMSNQTXNJODY-SQWLQELKSA-N 1 3 334.464 0.518 20 0 ECADHO CCOCC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000567377852 322581430 /nfs/dbraw/zinc/58/14/30/322581430.db2.gz FSJFRLKTBUEXSV-MRXNPFEDSA-N 1 3 329.485 0.160 20 0 ECADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000575749594 322795714 /nfs/dbraw/zinc/79/57/14/322795714.db2.gz CHDZVNFKDARJNF-YOEHRIQHSA-N 1 3 340.431 0.728 20 0 ECADHO CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001078010851 782130584 /nfs/dbraw/zinc/13/05/84/782130584.db2.gz NTZKJQJNAVRVFG-QDIHITRGSA-N 1 3 337.464 0.059 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CN1Cc1ccccc1 ZINC000398171121 546194971 /nfs/dbraw/zinc/19/49/71/546194971.db2.gz UUCDJKWNKPDUJR-HIFRSBDPSA-N 1 3 328.420 0.630 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622026545 546608053 /nfs/dbraw/zinc/60/80/53/546608053.db2.gz MFDKNXJZBRGMQC-XUWXXGDYSA-N 1 3 336.480 0.515 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C2 ZINC000622027217 546609462 /nfs/dbraw/zinc/60/94/62/546609462.db2.gz ZCKBBFXBBRPAMM-MPGHIAIKSA-N 1 3 334.464 0.413 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000625285809 547062097 /nfs/dbraw/zinc/06/20/97/547062097.db2.gz GXIHIIMXVSGPKJ-MRXNPFEDSA-N 1 3 332.448 0.465 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)[NH3+])c(C)c2)CC1 ZINC000667557638 547530623 /nfs/dbraw/zinc/53/06/23/547530623.db2.gz BMNNADCRDNFKEL-AWEZNQCLSA-N 1 3 347.463 0.539 20 0 ECADHO O=C(Nc1cnc(N2CCNCC2)nc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000667820603 547560773 /nfs/dbraw/zinc/56/07/73/547560773.db2.gz QRKVQFPWVUOFEK-AWEZNQCLSA-N 1 3 345.451 0.492 20 0 ECADHO O=C(Nc1cnc(N2CCNCC2)nc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000667820603 547560776 /nfs/dbraw/zinc/56/07/76/547560776.db2.gz QRKVQFPWVUOFEK-AWEZNQCLSA-N 1 3 345.451 0.492 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000668584739 547693151 /nfs/dbraw/zinc/69/31/51/547693151.db2.gz DTBNRHLMGQCSOU-RRFJBIMHSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000668584739 547693155 /nfs/dbraw/zinc/69/31/55/547693155.db2.gz DTBNRHLMGQCSOU-RRFJBIMHSA-N 1 3 336.480 0.718 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000668776306 547746099 /nfs/dbraw/zinc/74/60/99/547746099.db2.gz DNQRSSDZGVVTER-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000668776306 547746102 /nfs/dbraw/zinc/74/61/02/547746102.db2.gz DNQRSSDZGVVTER-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000668794867 547750849 /nfs/dbraw/zinc/75/08/49/547750849.db2.gz SIYVTSQDUSBVAX-HUUCEWRRSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000668794867 547750854 /nfs/dbraw/zinc/75/08/54/547750854.db2.gz SIYVTSQDUSBVAX-HUUCEWRRSA-N 1 3 338.496 0.822 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000669183281 547847338 /nfs/dbraw/zinc/84/73/38/547847338.db2.gz MVHCMUPWQXCKMO-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000670472241 548017888 /nfs/dbraw/zinc/01/78/88/548017888.db2.gz YTXSCZSHYTVKKF-UHFFFAOYSA-N 1 3 333.436 0.188 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000672307909 548304421 /nfs/dbraw/zinc/30/44/21/548304421.db2.gz RIZBCQZRUUMOHM-SJORKVTESA-N 1 3 348.491 0.531 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672310305 548307659 /nfs/dbraw/zinc/30/76/59/548307659.db2.gz OEASVLJPFGHEFL-SJORKVTESA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000672698824 548375516 /nfs/dbraw/zinc/37/55/16/548375516.db2.gz IHGCBAYCTJQDJR-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000672698824 548375519 /nfs/dbraw/zinc/37/55/19/548375519.db2.gz IHGCBAYCTJQDJR-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000675783751 548762243 /nfs/dbraw/zinc/76/22/43/548762243.db2.gz SJOBUEOOJOBFBD-GASCZTMLSA-N 1 3 347.525 0.889 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CCC[C@@H]1NC(=O)C[NH+](CC)CC ZINC000683368139 549481761 /nfs/dbraw/zinc/48/17/61/549481761.db2.gz KUNKDUUYOCGVOL-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO COC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000684004308 549547232 /nfs/dbraw/zinc/54/72/32/549547232.db2.gz ZAIBYQWCZCXIES-CABCVRRESA-N 1 3 330.473 0.315 20 0 ECADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000729507446 578296538 /nfs/dbraw/zinc/29/65/38/578296538.db2.gz UOJUDLGHYZGFJU-IRXDYDNUSA-N 1 3 345.447 0.776 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)N1CCCCC1 ZINC000785516802 578770455 /nfs/dbraw/zinc/77/04/55/578770455.db2.gz KKXAAGJKCWMFTJ-INIZCTEOSA-N 1 3 338.496 0.969 20 0 ECADHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000791139013 578886886 /nfs/dbraw/zinc/88/68/86/578886886.db2.gz WHHMAQQZZAPJIF-HOTGVXAUSA-N 1 3 331.526 0.959 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CSC(=O)N1 ZINC000746194053 579832447 /nfs/dbraw/zinc/83/24/47/579832447.db2.gz XHDCAGXIZSAFTD-QWHCGFSZSA-N 1 3 328.482 0.686 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CSC(=O)N1 ZINC000746194053 579832449 /nfs/dbraw/zinc/83/24/49/579832449.db2.gz XHDCAGXIZSAFTD-QWHCGFSZSA-N 1 3 328.482 0.686 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1)N1CCCC1 ZINC000841007856 588976009 /nfs/dbraw/zinc/97/60/09/588976009.db2.gz SMSPYZRTIJXVKM-CYBMUJFWSA-N 1 3 334.420 0.563 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841155970 588979969 /nfs/dbraw/zinc/97/99/69/588979969.db2.gz GUNWYTVIIWLHNQ-OAHLLOKOSA-N 1 3 345.447 0.245 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842015934 589008160 /nfs/dbraw/zinc/00/81/60/589008160.db2.gz PJJXRRJPXPEXIS-HUUCEWRRSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842174764 589016974 /nfs/dbraw/zinc/01/69/74/589016974.db2.gz KCCVEQNQBWSTDG-HNNXBMFYSA-N 1 3 346.475 0.652 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842200001 589020065 /nfs/dbraw/zinc/02/00/65/589020065.db2.gz BBUCZNQRELRJRF-YJBOKZPZSA-N 1 3 334.464 0.189 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000891355903 586165145 /nfs/dbraw/zinc/16/51/45/586165145.db2.gz BMSNYCRQVPEYSA-JKSUJKDBSA-N 1 3 325.501 0.973 20 0 ECADHO O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000891514208 586172855 /nfs/dbraw/zinc/17/28/55/586172855.db2.gz OANDFSXENQHBOZ-IRXDYDNUSA-N 1 3 344.459 0.995 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000891577401 586178837 /nfs/dbraw/zinc/17/88/37/586178837.db2.gz ROJUWXDHYSXMOS-IRXDYDNUSA-N 1 3 334.464 0.966 20 0 ECADHO C[C@@H](CNC(=O)N1CCCCC[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000891603940 586181042 /nfs/dbraw/zinc/18/10/42/586181042.db2.gz TUFDNMQRYAHTAV-JKSUJKDBSA-N 1 3 325.501 0.783 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892099309 586221296 /nfs/dbraw/zinc/22/12/96/586221296.db2.gz JGKFFZJBQHZUGY-CQSZACIVSA-N 1 3 339.484 0.500 20 0 ECADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000892576521 586274587 /nfs/dbraw/zinc/27/45/87/586274587.db2.gz RAOARKYCWWCIJR-JFIYKMOQSA-N 1 3 332.448 0.660 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000897493723 586333806 /nfs/dbraw/zinc/33/38/06/586333806.db2.gz AVPHVNPIKPIXOO-JKSUJKDBSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000897493723 586333809 /nfs/dbraw/zinc/33/38/09/586333809.db2.gz AVPHVNPIKPIXOO-JKSUJKDBSA-N 1 3 325.501 0.796 20 0 ECADHO O=C(C1CN(C2CCOCC2)C1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000898985680 586460614 /nfs/dbraw/zinc/46/06/14/586460614.db2.gz XWKDMYORDTYBJS-QGZVFWFLSA-N 1 3 337.464 0.155 20 0 ECADHO O=C(C1CN(C2CCOCC2)C1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000898985680 586460615 /nfs/dbraw/zinc/46/06/15/586460615.db2.gz XWKDMYORDTYBJS-QGZVFWFLSA-N 1 3 337.464 0.155 20 0 ECADHO O=C(NCCN(C(=O)C12CCN(CC1)C2)C1CC1)C12CC[NH+](CC1)C2 ZINC000900488975 586635534 /nfs/dbraw/zinc/63/55/34/586635534.db2.gz RDJBVCJEQZFERI-UHFFFAOYSA-N 1 3 346.475 0.285 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)C[C@]2(O)CCCN(C)C2)CC1 ZINC000900517712 586639061 /nfs/dbraw/zinc/63/90/61/586639061.db2.gz JXWOHUNOTIHJSM-QGZVFWFLSA-N 1 3 327.469 0.450 20 0 ECADHO CC[NH+](CC)CCN(CCOC)C(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900587034 586644039 /nfs/dbraw/zinc/64/40/39/586644039.db2.gz JVVQHTXOFKMATK-KRWDZBQOSA-N 1 3 329.485 0.650 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCCCCC[NH3+])N1CCC[C@@H](C)C1 ZINC000843262363 589058426 /nfs/dbraw/zinc/05/84/26/589058426.db2.gz PMMNXTPIEUVMKT-CABCVRRESA-N 1 3 326.485 0.858 20 0 ECADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C(=O)C12CCN(CC1)C2 ZINC000900648482 586651218 /nfs/dbraw/zinc/65/12/18/586651218.db2.gz HVXXQPYEYPPKOT-AWEZNQCLSA-N 1 3 334.464 0.141 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903498830 586778176 /nfs/dbraw/zinc/77/81/76/586778176.db2.gz FQTFXCKIZNOQFY-ZIAGYGMSSA-N 1 3 326.441 0.204 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N([C@@H](C)C1CC1)C1CC1)C2 ZINC000903493154 586779584 /nfs/dbraw/zinc/77/95/84/586779584.db2.gz VRQMYGXMFSDODN-FIIQBIKZSA-N 1 3 349.475 0.988 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903746545 586804206 /nfs/dbraw/zinc/80/42/06/586804206.db2.gz CMSPHRLXMGNEAM-CQSZACIVSA-N 1 3 336.436 0.366 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[C@@H]1[NH3+] ZINC000903735293 586805894 /nfs/dbraw/zinc/80/58/94/586805894.db2.gz JZBMOGRJIMXGEZ-HNNXBMFYSA-N 1 3 336.480 0.659 20 0 ECADHO CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903764729 586808738 /nfs/dbraw/zinc/80/87/38/586808738.db2.gz VMKNOJPPZBYQCP-UBHSHLNASA-N 1 3 335.370 0.755 20 0 ECADHO CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903764731 586808745 /nfs/dbraw/zinc/80/87/45/586808745.db2.gz VMKNOJPPZBYQCP-XBFCOCLRSA-N 1 3 335.370 0.755 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[C@H](CN2CCOCC2)C1 ZINC000903898485 586824474 /nfs/dbraw/zinc/82/44/74/586824474.db2.gz NUEPQOQLMFGPTK-CVEARBPZSA-N 1 3 334.468 0.357 20 0 ECADHO COC(=O)CN(CCN1CCN(C)CC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903913951 586825938 /nfs/dbraw/zinc/82/59/38/586825938.db2.gz GKWMRNRLWBLDDK-ALOPSCKCSA-N 1 3 338.496 0.239 20 0 ECADHO CCOC(=O)N1CCC(NCc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903921599 586826142 /nfs/dbraw/zinc/82/61/42/586826142.db2.gz QFYMWBHKYLWESN-AWEZNQCLSA-N 1 3 336.440 0.913 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCC[C@]12CC[NH2+]C2 ZINC000905010399 586860533 /nfs/dbraw/zinc/86/05/33/586860533.db2.gz GYCGTDQXIBRCGO-MAUKXSAKSA-N 1 3 334.464 0.428 20 0 ECADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CCN(c3ccncc3)CC1)C2 ZINC000904994193 586863776 /nfs/dbraw/zinc/86/37/76/586863776.db2.gz KIXIUAGCKPUUHX-DZKIICNBSA-N 1 3 343.431 0.068 20 0 ECADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)C3(O)CCC3)cc2)CC1 ZINC000905050843 586865194 /nfs/dbraw/zinc/86/51/94/586865194.db2.gz XIFWFKXJGATAPX-GOSISDBHSA-N 1 3 333.476 0.800 20 0 ECADHO CN1CCC([NH+]2CCC(NC[C@@H](O)C3(O)CCCC3)CC2)CC1 ZINC000905078598 586866895 /nfs/dbraw/zinc/86/68/95/586866895.db2.gz AGMOHBNYUAVCFZ-QGZVFWFLSA-N 1 3 325.497 0.801 20 0 ECADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)C[C@]1(O)CCOC1 ZINC000905196137 586876028 /nfs/dbraw/zinc/87/60/28/586876028.db2.gz QGJGGNXOKFBCJZ-QZTJIDSGSA-N 1 3 335.448 0.790 20 0 ECADHO O[C@@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)C1(O)CCOCC1 ZINC000905173346 586876821 /nfs/dbraw/zinc/87/68/21/586876821.db2.gz GGAQMRSMLQTFFH-BBWFWOEESA-N 1 3 342.480 0.246 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000906250668 586936353 /nfs/dbraw/zinc/93/63/53/586936353.db2.gz OGWOOAFHQPXDBA-UHFFFAOYSA-N 1 3 345.491 0.656 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000906250668 586936355 /nfs/dbraw/zinc/93/63/55/586936355.db2.gz OGWOOAFHQPXDBA-UHFFFAOYSA-N 1 3 345.491 0.656 20 0 ECADHO COC(=O)c1nc(C(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000906580450 586957293 /nfs/dbraw/zinc/95/72/93/586957293.db2.gz NZQBWPJTQLDCIZ-UHFFFAOYSA-N 1 3 328.438 0.495 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906727856 586972099 /nfs/dbraw/zinc/97/20/99/586972099.db2.gz UEWDJQWWOAKZHW-NUEKZKHPSA-N 1 3 330.432 0.738 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)Nc2cccc(OCC[NH3+])c2)CC1=O ZINC000844164065 589097251 /nfs/dbraw/zinc/09/72/51/589097251.db2.gz ZACDLPHXCJNLBY-ZDUSSCGKSA-N 1 3 334.420 0.373 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C1/SCC(=O)N1C ZINC000824400791 587872241 /nfs/dbraw/zinc/87/22/41/587872241.db2.gz DXYLUYVUXVTKDO-DGGAMASNSA-N 1 3 328.482 0.421 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C1/SCC(=O)N1C ZINC000824400791 587872243 /nfs/dbraw/zinc/87/22/43/587872243.db2.gz DXYLUYVUXVTKDO-DGGAMASNSA-N 1 3 328.482 0.421 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NCCCCCC[NH3+])CC2)C1 ZINC000831264120 588417539 /nfs/dbraw/zinc/41/75/39/588417539.db2.gz UIHYKNYSCPKQBN-MRXNPFEDSA-N 1 3 325.501 0.927 20 0 ECADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)NC(C)(C)C ZINC000849070373 589319212 /nfs/dbraw/zinc/31/92/12/589319212.db2.gz PXYHJIQWYPHYDE-GFCCVEGCSA-N 1 3 333.502 0.303 20 0 ECADHO CN1CC[C@](O)(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000849085535 589319450 /nfs/dbraw/zinc/31/94/50/589319450.db2.gz RTPQWASMRTVBRZ-KRWDZBQOSA-N 1 3 335.427 0.539 20 0 ECADHO C[C@@H]1CN(C(=[NH2+])NCc2ccccc2CN2CC[C@H](O)C2)CCO1 ZINC000849093643 589319975 /nfs/dbraw/zinc/31/99/75/589319975.db2.gz DCLDFPYMNDTAFL-PBHICJAKSA-N 1 3 332.448 0.998 20 0 ECADHO CN1CCCN(c2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000851627372 589409221 /nfs/dbraw/zinc/40/92/21/589409221.db2.gz WMOJNQIBBGZNJS-UHFFFAOYSA-N 1 3 343.435 0.631 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000851690197 589415343 /nfs/dbraw/zinc/41/53/43/589415343.db2.gz BCJZYCFILHYLPU-YESZJQIVSA-N 1 3 344.459 0.540 20 0 ECADHO CN1CCN(CCCCCC[N@H+]2CCC(=O)N(C)CC2)CCC1=O ZINC000852578267 589502407 /nfs/dbraw/zinc/50/24/07/589502407.db2.gz ZRNVBNSDKWWFFF-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO CN1CCN(CCCCCC[N@@H+]2CCC(=O)N(C)CC2)CCC1=O ZINC000852578267 589502408 /nfs/dbraw/zinc/50/24/08/589502408.db2.gz ZRNVBNSDKWWFFF-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO NC[C@@H]1CC(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)=NO1 ZINC000852793701 589512477 /nfs/dbraw/zinc/51/24/77/589512477.db2.gz DFPKAMIKXSYSGL-AWEZNQCLSA-N 1 3 346.387 0.638 20 0 ECADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000852864191 589519401 /nfs/dbraw/zinc/51/94/01/589519401.db2.gz ZFUKBFISKAPXGY-CYBMUJFWSA-N 1 3 333.392 0.619 20 0 ECADHO C[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[NH+]1CCCCC1 ZINC000853465247 589543295 /nfs/dbraw/zinc/54/32/95/589543295.db2.gz DGYIAYDCUOKAJO-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000853682348 589555102 /nfs/dbraw/zinc/55/51/02/589555102.db2.gz CAZNORWOEXHCMW-JKSUJKDBSA-N 1 3 341.500 0.032 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCN1C ZINC000867521978 589798653 /nfs/dbraw/zinc/79/86/53/589798653.db2.gz FYMQVNQFVKQEAD-QKPAOTATSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCN1C ZINC000867521978 589798656 /nfs/dbraw/zinc/79/86/56/589798656.db2.gz FYMQVNQFVKQEAD-QKPAOTATSA-N 1 3 336.480 0.480 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)[C@H]1CCN(CC)C1 ZINC000867628506 589817336 /nfs/dbraw/zinc/81/73/36/589817336.db2.gz CHKIXYIEUMQVLN-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)[C@H]1CCN(CC)C1 ZINC000867628506 589817340 /nfs/dbraw/zinc/81/73/40/589817340.db2.gz CHKIXYIEUMQVLN-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@@H]21 ZINC000868388580 589900312 /nfs/dbraw/zinc/90/03/12/589900312.db2.gz JEENATKIXXDPBZ-SJORKVTESA-N 1 3 344.459 0.527 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@@H]21 ZINC000868388580 589900314 /nfs/dbraw/zinc/90/03/14/589900314.db2.gz JEENATKIXXDPBZ-SJORKVTESA-N 1 3 344.459 0.527 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000863754936 590034926 /nfs/dbraw/zinc/03/49/26/590034926.db2.gz JVDJZGZUVCZKGI-HNNXBMFYSA-N 1 3 346.475 0.915 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870884736 590037786 /nfs/dbraw/zinc/03/77/86/590037786.db2.gz HQFAZDKJPLUKKT-UHFFFAOYSA-N 1 3 337.464 0.910 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C2 ZINC000872187834 590100825 /nfs/dbraw/zinc/10/08/25/590100825.db2.gz KEKATQWACMQXGA-HDMKZQKVSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303082 590112270 /nfs/dbraw/zinc/11/22/70/590112270.db2.gz BOLBMZCDLBASRB-KHMAMNHCSA-N 1 3 336.436 0.253 20 0 ECADHO CC(C)[N@H+](C)CCNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000865819105 590159829 /nfs/dbraw/zinc/15/98/29/590159829.db2.gz CEHFHPUFKOVWOE-ZDUSSCGKSA-N 1 3 330.473 0.898 20 0 ECADHO CC(C)[N@@H+](C)CCNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000865819105 590159830 /nfs/dbraw/zinc/15/98/30/590159830.db2.gz CEHFHPUFKOVWOE-ZDUSSCGKSA-N 1 3 330.473 0.898 20 0 ECADHO CCn1ncc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000873822818 590203715 /nfs/dbraw/zinc/20/37/15/590203715.db2.gz JTIGJXSLYFIMIM-UHFFFAOYSA-N 1 3 338.456 0.102 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000875061517 590266572 /nfs/dbraw/zinc/26/65/72/590266572.db2.gz LYIIJYULHCBYGG-BZUAXINKSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000875061517 590266574 /nfs/dbraw/zinc/26/65/74/590266574.db2.gz LYIIJYULHCBYGG-BZUAXINKSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875074096 590268072 /nfs/dbraw/zinc/26/80/72/590268072.db2.gz QCVVPBREYQZIHZ-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875074096 590268074 /nfs/dbraw/zinc/26/80/74/590268074.db2.gz QCVVPBREYQZIHZ-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC[C@@H]21 ZINC000875179054 590278741 /nfs/dbraw/zinc/27/87/41/590278741.db2.gz ZHTFKVDHVKNRRK-PMPSAXMXSA-N 1 3 334.464 0.140 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC[C@@H]21 ZINC000875179054 590278743 /nfs/dbraw/zinc/27/87/43/590278743.db2.gz ZHTFKVDHVKNRRK-PMPSAXMXSA-N 1 3 334.464 0.140 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875262858 590288272 /nfs/dbraw/zinc/28/82/72/590288272.db2.gz GTEIAOIBDPVXIA-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875262858 590288274 /nfs/dbraw/zinc/28/82/74/590288274.db2.gz GTEIAOIBDPVXIA-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875330655 590293494 /nfs/dbraw/zinc/29/34/94/590293494.db2.gz NWBWQCUJPYMRPZ-UKRRQHHQSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875330655 590293496 /nfs/dbraw/zinc/29/34/96/590293496.db2.gz NWBWQCUJPYMRPZ-UKRRQHHQSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)C[N@@H+](Cc1cc(=O)n2nc(N)[n-]c2n1)CC1CC[NH+](C)CC1 ZINC000879703467 590336493 /nfs/dbraw/zinc/33/64/93/590336493.db2.gz NQDYSMQKXIHSCM-UHFFFAOYSA-N 1 3 347.467 0.800 20 0 ECADHO CC(C)C[N@H+](Cc1cc(=O)n2nc(N)[n-]c2n1)CC1CC[NH+](C)CC1 ZINC000879703467 590336494 /nfs/dbraw/zinc/33/64/94/590336494.db2.gz NQDYSMQKXIHSCM-UHFFFAOYSA-N 1 3 347.467 0.800 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2c(CN)cnn2C)CC1 ZINC000876746386 590407883 /nfs/dbraw/zinc/40/78/83/590407883.db2.gz LFLFHDDHSSIBQO-HUUCEWRRSA-N 1 3 348.495 0.509 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000876761435 590411084 /nfs/dbraw/zinc/41/10/84/590411084.db2.gz WVZJPALDPUJOOX-JKSUJKDBSA-N 1 3 346.475 0.968 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)COC1CC[NH2+]CC1 ZINC000877132319 590439833 /nfs/dbraw/zinc/43/98/33/590439833.db2.gz AFBBMGPJCHVBNM-UHFFFAOYSA-N 1 3 327.469 0.572 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000877134597 590440443 /nfs/dbraw/zinc/44/04/43/590440443.db2.gz VCNXQAQAKVKOMZ-VNQPRFMTSA-N 1 3 330.432 0.974 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000877134597 590440446 /nfs/dbraw/zinc/44/04/46/590440446.db2.gz VCNXQAQAKVKOMZ-VNQPRFMTSA-N 1 3 330.432 0.974 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000877339717 590459044 /nfs/dbraw/zinc/45/90/44/590459044.db2.gz GIOCTKZZSIWRCN-HUUCEWRRSA-N 1 3 325.416 0.931 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ncncc2C1 ZINC000883770202 590664131 /nfs/dbraw/zinc/66/41/31/590664131.db2.gz MEUDKZYCOVHJQV-AWEZNQCLSA-N 1 3 334.468 0.816 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ncncc2C1 ZINC000883770202 590664132 /nfs/dbraw/zinc/66/41/32/590664132.db2.gz MEUDKZYCOVHJQV-AWEZNQCLSA-N 1 3 334.468 0.816 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000889332743 590683276 /nfs/dbraw/zinc/68/32/76/590683276.db2.gz JYRRLWGWRFYLDD-JONQDZQNSA-N 1 3 326.485 0.671 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000889332743 590683279 /nfs/dbraw/zinc/68/32/79/590683279.db2.gz JYRRLWGWRFYLDD-JONQDZQNSA-N 1 3 326.485 0.671 20 0 ECADHO COCC[C@H](N)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000884206598 590775104 /nfs/dbraw/zinc/77/51/04/590775104.db2.gz ZEXFGKDDNJUXRN-XHSDSOJGSA-N 1 3 326.485 0.367 20 0 ECADHO COCC[C@H](N)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000884206598 590775108 /nfs/dbraw/zinc/77/51/08/590775108.db2.gz ZEXFGKDDNJUXRN-XHSDSOJGSA-N 1 3 326.485 0.367 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)NC[C@H]2CCN2C2CCOCC2)cn1 ZINC000885888199 590777304 /nfs/dbraw/zinc/77/73/04/590777304.db2.gz DNLVUEFJEWOEHI-MRXNPFEDSA-N 1 3 335.452 0.428 20 0 ECADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccnc(N3CCNCC3)c1)C2 ZINC000884382384 590817104 /nfs/dbraw/zinc/81/71/04/590817104.db2.gz IAGYYQNQUAMNRR-YJBOKZPZSA-N 1 3 329.448 0.692 20 0 ECADHO CN(CC(=O)NC1CC1)[C@H]1CC[C@H]([N@H+](C)CC(=O)NC2CC2)CC1 ZINC000886393914 590838536 /nfs/dbraw/zinc/83/85/36/590838536.db2.gz IEZFDOXPCUAEHB-WKILWMFISA-N 1 3 336.480 0.718 20 0 ECADHO CN(CC(=O)NC1CC1)[C@H]1CC[C@H]([N@@H+](C)CC(=O)NC2CC2)CC1 ZINC000886393914 590838540 /nfs/dbraw/zinc/83/85/40/590838540.db2.gz IEZFDOXPCUAEHB-WKILWMFISA-N 1 3 336.480 0.718 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000884502340 590844501 /nfs/dbraw/zinc/84/45/01/590844501.db2.gz HTLMOEGRXUQAEI-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000884529206 590851474 /nfs/dbraw/zinc/85/14/74/590851474.db2.gz JJWMJXQPIPZLCF-KRWDZBQOSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)([NH3+])CCNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000884577367 590862581 /nfs/dbraw/zinc/86/25/81/590862581.db2.gz DIGUKHZUXWJYAZ-UHFFFAOYSA-N 1 3 346.475 0.795 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884578213 590862764 /nfs/dbraw/zinc/86/27/64/590862764.db2.gz VYXPFQFLLCVKMK-OAHLLOKOSA-N 1 3 336.480 0.722 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1CC1 ZINC000884601452 590867698 /nfs/dbraw/zinc/86/76/98/590867698.db2.gz LVRFJQSPZCFWIA-SFHVURJKSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)C1=CCN(C)CC1 ZINC000884623878 590874770 /nfs/dbraw/zinc/87/47/70/590874770.db2.gz QPQBQCRPOSDEKN-UKRRQHHQSA-N 1 3 336.480 0.647 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)[NH2+]C1 ZINC000884631581 590878789 /nfs/dbraw/zinc/87/87/89/590878789.db2.gz PDTUDDCSBKWXIM-HUUCEWRRSA-N 1 3 336.480 0.481 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884729390 590913523 /nfs/dbraw/zinc/91/35/23/590913523.db2.gz OBIMSSFWCTVUGH-BFHYXJOUSA-N 1 3 333.436 0.361 20 0 ECADHO CCN(C(=O)C(=O)Nc1cccc(OCCN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000886990684 590913597 /nfs/dbraw/zinc/91/35/97/590913597.db2.gz RZARNQBREOCCGH-OAHLLOKOSA-N 1 3 348.447 0.776 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C[NH2+]1 ZINC000884818209 590928045 /nfs/dbraw/zinc/92/80/45/590928045.db2.gz YHFQZTOGHOKYBD-QLFBSQMISA-N 1 3 345.447 0.375 20 0 ECADHO COC(=O)c1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nn1C ZINC000889072998 591038953 /nfs/dbraw/zinc/03/89/53/591038953.db2.gz FYZPERCSDHFJNV-UHFFFAOYSA-N 1 3 340.428 0.164 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])N1CCSCC1 ZINC000104191949 591053272 /nfs/dbraw/zinc/05/32/72/591053272.db2.gz VDKKPRFZMCCIDJ-ZDUSSCGKSA-N 1 3 327.498 0.293 20 0 ECADHO CCN1CC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000890065835 591124241 /nfs/dbraw/zinc/12/42/41/591124241.db2.gz NPHLTEXOLXYGTI-IRXDYDNUSA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000890065835 591124244 /nfs/dbraw/zinc/12/42/44/591124244.db2.gz NPHLTEXOLXYGTI-IRXDYDNUSA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CC[C@H]1CNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000890065835 591124248 /nfs/dbraw/zinc/12/42/48/591124248.db2.gz NPHLTEXOLXYGTI-IRXDYDNUSA-N 1 3 337.512 0.891 20 0 ECADHO COCC[N@@H+]1CCC[C@H]1CN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924583132 611416497 /nfs/dbraw/zinc/41/64/97/611416497.db2.gz XHCOCYJCHFUKKZ-LSDHHAIUSA-N 1 3 338.452 0.504 20 0 ECADHO COCC[N@H+]1CCC[C@H]1CN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924583132 611416500 /nfs/dbraw/zinc/41/65/00/611416500.db2.gz XHCOCYJCHFUKKZ-LSDHHAIUSA-N 1 3 338.452 0.504 20 0 ECADHO CC1(C)[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925498760 611485765 /nfs/dbraw/zinc/48/57/65/611485765.db2.gz SDTNBXUAMMLOFQ-ZJPYXAASSA-N 1 3 336.524 0.759 20 0 ECADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857478 611504457 /nfs/dbraw/zinc/50/44/57/611504457.db2.gz ZWXXUTNOZQFCRS-MGPQQGTHSA-N 1 3 344.477 0.617 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C2)C1 ZINC000927635656 611622815 /nfs/dbraw/zinc/62/28/15/611622815.db2.gz UBLPDQKFBZBCJO-WMZOPIPTSA-N 1 3 336.480 0.977 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C2)C1 ZINC000927635656 611622819 /nfs/dbraw/zinc/62/28/19/611622819.db2.gz UBLPDQKFBZBCJO-WMZOPIPTSA-N 1 3 336.480 0.977 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949251452 608598327 /nfs/dbraw/zinc/59/83/27/608598327.db2.gz NRGZDZKQHLBLGG-IYBDPMFKSA-N 1 3 339.480 0.545 20 0 ECADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000936904109 608722237 /nfs/dbraw/zinc/72/22/37/608722237.db2.gz FCWUCDSZRNWQDR-CVEARBPZSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933852228 608777678 /nfs/dbraw/zinc/77/76/78/608777678.db2.gz JXQZMGMYRBHKLZ-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933852228 608777681 /nfs/dbraw/zinc/77/76/81/608777681.db2.gz JXQZMGMYRBHKLZ-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](NC[C@]1(O)CCS(=O)(=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926510043 608879677 /nfs/dbraw/zinc/87/96/77/608879677.db2.gz XZHFVWGZQSALDV-CZUORRHYSA-N 1 3 326.462 0.948 20 0 ECADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000925765126 608888645 /nfs/dbraw/zinc/88/86/45/608888645.db2.gz JLSHRIQRMCHCMC-YNEHKIRRSA-N 1 3 333.498 0.579 20 0 ECADHO O=S1(=O)CCNC[C@@H]1CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925789763 608969669 /nfs/dbraw/zinc/96/96/69/608969669.db2.gz XKPUJXSOPBJQBB-XHSDSOJGSA-N 1 3 329.510 0.521 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CCC1 ZINC000938007336 609456259 /nfs/dbraw/zinc/45/62/59/609456259.db2.gz GYPGVADZZKXZDM-HOTGVXAUSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)(C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1)[NH+]1CCCC1 ZINC000938402112 609778711 /nfs/dbraw/zinc/77/87/11/609778711.db2.gz MWBQVZNOPWIYLH-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000910973564 609786529 /nfs/dbraw/zinc/78/65/29/609786529.db2.gz VMQCDTVDSGIVBF-YLFCFFPRSA-N 1 3 344.459 0.285 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)N(C)Cc1ccccc1 ZINC000911009463 609793975 /nfs/dbraw/zinc/79/39/75/609793975.db2.gz RJFHCWNGPNOFMG-WBVHZDCISA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)N(C)Cc1ccccc1 ZINC000911009461 609794040 /nfs/dbraw/zinc/79/40/40/609794040.db2.gz RJFHCWNGPNOFMG-NVXWUHKLSA-N 1 3 346.475 0.820 20 0 ECADHO O=C(CCCCCC(=O)NC12CC[NH+](CC1)C2)NC12CCN(CC1)C2 ZINC000913629744 609806305 /nfs/dbraw/zinc/80/63/05/609806305.db2.gz KYGKMBIQBKIDQM-UHFFFAOYSA-N 1 3 348.491 0.866 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)N1CCC(C)CC1 ZINC000911089891 609807846 /nfs/dbraw/zinc/80/78/46/609807846.db2.gz GKLSNEYCBMFHTI-CVEARBPZSA-N 1 3 338.496 0.871 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000911269558 609834326 /nfs/dbraw/zinc/83/43/26/609834326.db2.gz LRGVHRHUBRMOHE-VVLHAWIVSA-N 1 3 342.443 0.470 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000911269558 609834328 /nfs/dbraw/zinc/83/43/28/609834328.db2.gz LRGVHRHUBRMOHE-VVLHAWIVSA-N 1 3 342.443 0.470 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911298680 609841615 /nfs/dbraw/zinc/84/16/15/609841615.db2.gz STWQLFYSYGDDDM-CHWSQXEVSA-N 1 3 342.484 0.262 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CC1)N1CCN(C)CC1 ZINC000913998592 609842157 /nfs/dbraw/zinc/84/21/57/609842157.db2.gz OAAFXVOQHJDGLH-HNNXBMFYSA-N 1 3 325.501 0.652 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000911305226 609843750 /nfs/dbraw/zinc/84/37/50/609843750.db2.gz ZRCORFNXMZKKGM-UHFFFAOYSA-N 1 3 344.459 0.754 20 0 ECADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000911488922 609882918 /nfs/dbraw/zinc/88/29/18/609882918.db2.gz LMVVYLWAJGPJAT-ARFHVFGLSA-N 1 3 336.480 0.707 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911517522 609889789 /nfs/dbraw/zinc/88/97/89/609889789.db2.gz VINVWIRCHUUSMF-HZPDHXFCSA-N 1 3 332.448 0.526 20 0 ECADHO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000911557436 609894782 /nfs/dbraw/zinc/89/47/82/609894782.db2.gz OPHUNZKUEYXLNZ-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000911557437 609894816 /nfs/dbraw/zinc/89/48/16/609894816.db2.gz OPHUNZKUEYXLNZ-HOTGVXAUSA-N 1 3 336.480 0.722 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000938761698 609979679 /nfs/dbraw/zinc/97/96/79/609979679.db2.gz KGOTURLLKFPIQZ-CVEARBPZSA-N 1 3 347.463 0.886 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000938761698 609979681 /nfs/dbraw/zinc/97/96/81/609979681.db2.gz KGOTURLLKFPIQZ-CVEARBPZSA-N 1 3 347.463 0.886 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000938911597 610038884 /nfs/dbraw/zinc/03/88/84/610038884.db2.gz LDGOVMKQXGRZEW-DZGCQCFKSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938911597 610038885 /nfs/dbraw/zinc/03/88/85/610038885.db2.gz LDGOVMKQXGRZEW-DZGCQCFKSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939911364 610166151 /nfs/dbraw/zinc/16/61/51/610166151.db2.gz TVAJTGNXXANZAU-HZPDHXFCSA-N 1 3 345.447 0.353 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC000941645506 610438594 /nfs/dbraw/zinc/43/85/94/610438594.db2.gz MRJHCLZUNUMXES-HZPDHXFCSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCCN(C(=O)CN3CCCC3)CC2)C1 ZINC000941112083 610556507 /nfs/dbraw/zinc/55/65/07/610556507.db2.gz XDDXNVLXRVQKPV-INIZCTEOSA-N 1 3 336.480 0.485 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)CN3CCCC3)CC2)C1 ZINC000941112083 610556509 /nfs/dbraw/zinc/55/65/09/610556509.db2.gz XDDXNVLXRVQKPV-INIZCTEOSA-N 1 3 336.480 0.485 20 0 ECADHO CC(C)(C(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCCC1 ZINC000941994575 610603866 /nfs/dbraw/zinc/60/38/66/610603866.db2.gz JEJXDRHMRMBHDH-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CN(CCn2cncn2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942257100 610713992 /nfs/dbraw/zinc/71/39/92/610713992.db2.gz JBLSBRNUTNGKHG-JKSUJKDBSA-N 1 3 346.479 0.733 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000943285686 610780786 /nfs/dbraw/zinc/78/07/86/610780786.db2.gz OJKATZHXAVRRLF-IJEWVQPXSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000943285686 610780789 /nfs/dbraw/zinc/78/07/89/610780789.db2.gz OJKATZHXAVRRLF-IJEWVQPXSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)c1ccnn1C ZINC000923199822 611213711 /nfs/dbraw/zinc/21/37/11/611213711.db2.gz XDVFNPJGFSDEIN-ZFWWWQNUSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)c1ccnn1C ZINC000923199822 611213712 /nfs/dbraw/zinc/21/37/12/611213712.db2.gz XDVFNPJGFSDEIN-ZFWWWQNUSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946902651 611245839 /nfs/dbraw/zinc/24/58/39/611245839.db2.gz TTZNZECISRFVNC-FPCVCCKLSA-N 1 3 336.480 0.515 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923499896 611252048 /nfs/dbraw/zinc/25/20/48/611252048.db2.gz MVAFOWLNHPTGLV-KGLIPLIRSA-N 1 3 326.441 0.204 20 0 ECADHO C[C@@H]1CN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923501811 611252409 /nfs/dbraw/zinc/25/24/09/611252409.db2.gz WAJYLVSYOAPSNY-WBVHZDCISA-N 1 3 346.475 0.807 20 0 ECADHO C[C@H]1C[C@H](NC(=O)c2cnccc2N(C)C)CCN1CC(=O)N(C)C ZINC000947940415 611257571 /nfs/dbraw/zinc/25/75/71/611257571.db2.gz PWJUAGXUBWAFEP-UONOGXRCSA-N 1 3 347.463 0.819 20 0 ECADHO C[C@H]1C[C@H](NC(=O)c2cnccc2N(C)C)CC[N@@H+]1CC(=O)N(C)C ZINC000947940415 611257574 /nfs/dbraw/zinc/25/75/74/611257574.db2.gz PWJUAGXUBWAFEP-UONOGXRCSA-N 1 3 347.463 0.819 20 0 ECADHO C[C@H]1C[C@H](NC(=O)c2cnccc2N(C)C)CC[N@H+]1CC(=O)N(C)C ZINC000947940415 611257576 /nfs/dbraw/zinc/25/75/76/611257576.db2.gz PWJUAGXUBWAFEP-UONOGXRCSA-N 1 3 347.463 0.819 20 0 ECADHO CN(C)CCN1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1=O ZINC000844569297 611320764 /nfs/dbraw/zinc/32/07/64/611320764.db2.gz JQBLQWZVDUJAGC-UHFFFAOYSA-N 1 3 343.541 0.155 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000950390239 611995921 /nfs/dbraw/zinc/99/59/21/611995921.db2.gz RCXROOCEJMVKQD-IIAWOOMASA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000950390239 611995923 /nfs/dbraw/zinc/99/59/23/611995923.db2.gz RCXROOCEJMVKQD-IIAWOOMASA-N 1 3 336.480 0.386 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1[C@@H]2CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC000952718437 612082594 /nfs/dbraw/zinc/08/25/94/612082594.db2.gz ZYSNKNXUIUKLGT-MWDXBVQZSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1[C@@H]2CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC000952718437 612082596 /nfs/dbraw/zinc/08/25/96/612082596.db2.gz ZYSNKNXUIUKLGT-MWDXBVQZSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000952032463 612190769 /nfs/dbraw/zinc/19/07/69/612190769.db2.gz XIZHKQYFVHYFSS-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952149823 612249324 /nfs/dbraw/zinc/24/93/24/612249324.db2.gz ZHFFIURRJZLODM-KGLIPLIRSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952149823 612249326 /nfs/dbraw/zinc/24/93/26/612249326.db2.gz ZHFFIURRJZLODM-KGLIPLIRSA-N 1 3 333.436 0.401 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000954502506 612338300 /nfs/dbraw/zinc/33/83/00/612338300.db2.gz FVLQSGZFYQOOTC-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954502506 612338305 /nfs/dbraw/zinc/33/83/05/612338305.db2.gz FVLQSGZFYQOOTC-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000955341089 612464799 /nfs/dbraw/zinc/46/47/99/612464799.db2.gz QXBGHMVGYDMOCS-SQWLQELKSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000955341089 612464802 /nfs/dbraw/zinc/46/48/02/612464802.db2.gz QXBGHMVGYDMOCS-SQWLQELKSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC000955346032 612474275 /nfs/dbraw/zinc/47/42/75/612474275.db2.gz IMVWOLYCQDDDKD-CZUORRHYSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC000955346032 612474276 /nfs/dbraw/zinc/47/42/76/612474276.db2.gz IMVWOLYCQDDDKD-CZUORRHYSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788315 782209619 /nfs/dbraw/zinc/20/96/19/782209619.db2.gz BQXPQWJTSZJXRD-QAPCUYQASA-N 1 3 348.491 0.483 20 0 ECADHO O=C(N1CCCC[C@@H]1CN[C@H]1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001025010882 738489330 /nfs/dbraw/zinc/48/93/30/738489330.db2.gz LDUMTFIMEPFSTJ-CABCVRRESA-N 1 3 334.464 0.474 20 0 ECADHO Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCc4nccn4C3)C2)n1 ZINC000969135481 731517648 /nfs/dbraw/zinc/51/76/48/731517648.db2.gz KTQCUAROBJFJLX-DZGCQCFKSA-N 1 3 328.420 0.570 20 0 ECADHO CC(C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167051273 731559690 /nfs/dbraw/zinc/55/96/90/731559690.db2.gz CEOIQRGRHAIXFZ-MRXNPFEDSA-N 1 3 340.512 0.973 20 0 ECADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC001167051458 731561036 /nfs/dbraw/zinc/56/10/36/731561036.db2.gz NEKREHGMBICSHR-LSDHHAIUSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H](N[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1)C(N)=O ZINC000969458446 731904216 /nfs/dbraw/zinc/90/42/16/731904216.db2.gz PJXCVXDVTNCFGT-DZGCQCFKSA-N 1 3 332.448 0.469 20 0 ECADHO CO[C@@H](C)CN1CC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969686330 732047935 /nfs/dbraw/zinc/04/79/35/732047935.db2.gz AOVKXWOVPJWQSB-UONOGXRCSA-N 1 3 337.468 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000969949839 732551814 /nfs/dbraw/zinc/55/18/14/732551814.db2.gz ZMUCQMRDAXKPCR-WMLDXEAASA-N 1 3 344.459 0.960 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000969948910 732554255 /nfs/dbraw/zinc/55/42/55/732554255.db2.gz NGSZXUDXHKRDKA-GDBMZVCRSA-N 1 3 332.448 0.560 20 0 ECADHO CCn1cc(CC[NH2+][C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cn1 ZINC000969954168 732554636 /nfs/dbraw/zinc/55/46/36/732554636.db2.gz APNNBAFNYBITRN-DOTOQJQBSA-N 1 3 333.480 0.978 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)C1)N(C)C ZINC000969992289 732599935 /nfs/dbraw/zinc/59/99/35/732599935.db2.gz UWNJLZHPAZZCQL-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CN1CCC[C@H]([N@@H+]2CC[C@]3(CCN(C(=O)CN4CCCC4)C3)C2)C1=O ZINC001041831539 782297187 /nfs/dbraw/zinc/29/71/87/782297187.db2.gz NPYBACULMSDIFX-LPHOPBHVSA-N 1 3 348.491 0.627 20 0 ECADHO CN1CCC[C@H]([N@H+]2CC[C@]3(CCN(C(=O)CN4CCCC4)C3)C2)C1=O ZINC001041831539 782297190 /nfs/dbraw/zinc/29/71/90/782297190.db2.gz NPYBACULMSDIFX-LPHOPBHVSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001167223818 733067647 /nfs/dbraw/zinc/06/76/47/733067647.db2.gz ATAVJXSPIDFYJD-AWEZNQCLSA-N 1 3 345.509 0.391 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001167225764 733069676 /nfs/dbraw/zinc/06/96/76/733069676.db2.gz ZWNAYUQPWQOJQI-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@H]2CCN(CC)C2=O)CC1)N(C)C ZINC001167261196 733104961 /nfs/dbraw/zinc/10/49/61/733104961.db2.gz YXLUGZMCNVMCKY-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@H]2CCCN(C)C2=O)CC1)N(C)C ZINC001167260896 733105080 /nfs/dbraw/zinc/10/50/80/733105080.db2.gz OSRSSENOJZUJCP-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC000970336203 733369406 /nfs/dbraw/zinc/36/94/06/733369406.db2.gz ZZOFWKOZMXRYGS-QGZVFWFLSA-N 1 3 333.480 0.885 20 0 ECADHO CCn1nncc1CNC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025140793 738711997 /nfs/dbraw/zinc/71/19/97/738711997.db2.gz UDFKJDFNGCTIHH-OAHLLOKOSA-N 1 3 346.479 0.865 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)c(C)n1 ZINC000970489440 733608550 /nfs/dbraw/zinc/60/85/50/733608550.db2.gz CEOMYKZHTLCMRF-OAHLLOKOSA-N 1 3 345.447 0.580 20 0 ECADHO COC[C@H](C)N1CC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970558450 733673690 /nfs/dbraw/zinc/67/36/90/733673690.db2.gz CZVHNTKVIBTPLD-KBPBESRZSA-N 1 3 337.468 0.530 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000970712273 733860159 /nfs/dbraw/zinc/86/01/59/733860159.db2.gz LKLRSZIXLQLGPG-HZPDHXFCSA-N 1 3 330.432 0.428 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC000970712273 733860163 /nfs/dbraw/zinc/86/01/63/733860163.db2.gz LKLRSZIXLQLGPG-HZPDHXFCSA-N 1 3 330.432 0.428 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)c1 ZINC000970786081 733938591 /nfs/dbraw/zinc/93/85/91/733938591.db2.gz MWDPTTPEIFQFBE-QGZVFWFLSA-N 1 3 342.447 0.844 20 0 ECADHO CCn1cc(CCN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970874658 734034247 /nfs/dbraw/zinc/03/42/47/734034247.db2.gz LQXKPPQTKZXGTP-GOEBONIOSA-N 1 3 333.480 0.834 20 0 ECADHO CCn1cc(CCN2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970874658 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332.448 0.512 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000971205015 734360750 /nfs/dbraw/zinc/36/07/50/734360750.db2.gz RRILJMCIZVTLPA-HOTGVXAUSA-N 1 3 332.448 0.512 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971526532 734713463 /nfs/dbraw/zinc/71/34/63/734713463.db2.gz XOIGSCXQLUTSDH-HOTGVXAUSA-N 1 3 334.468 0.684 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000971526532 734713470 /nfs/dbraw/zinc/71/34/70/734713470.db2.gz XOIGSCXQLUTSDH-HOTGVXAUSA-N 1 3 334.468 0.684 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC000971677341 734941330 /nfs/dbraw/zinc/94/13/30/734941330.db2.gz ISZBPJCANXYEBK-MRXNPFEDSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC000971677341 734941333 /nfs/dbraw/zinc/94/13/33/734941333.db2.gz ISZBPJCANXYEBK-MRXNPFEDSA-N 1 3 348.495 0.912 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000971843063 735224417 /nfs/dbraw/zinc/22/44/17/735224417.db2.gz FPXYFHCXXMGRMF-IAGOWNOFSA-N 1 3 348.495 0.931 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000971843063 735224422 /nfs/dbraw/zinc/22/44/22/735224422.db2.gz FPXYFHCXXMGRMF-IAGOWNOFSA-N 1 3 348.495 0.931 20 0 ECADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(CCc2cnn(C)c2)CC1 ZINC001006398523 751349030 /nfs/dbraw/zinc/34/90/30/751349030.db2.gz DNXQVYDBAPMMRU-INIZCTEOSA-N 1 3 333.480 0.837 20 0 ECADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(CCc2cnn(C)c2)CC1 ZINC001006398523 751349041 /nfs/dbraw/zinc/34/90/41/751349041.db2.gz DNXQVYDBAPMMRU-INIZCTEOSA-N 1 3 333.480 0.837 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000972155959 735724794 /nfs/dbraw/zinc/72/47/94/735724794.db2.gz JUTCBBVYBXVYOU-IRXDYDNUSA-N 1 3 348.495 0.933 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000972155959 735724797 /nfs/dbraw/zinc/72/47/97/735724797.db2.gz JUTCBBVYBXVYOU-IRXDYDNUSA-N 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737132556 /nfs/dbraw/zinc/13/25/56/737132556.db2.gz CNSKQGSQTPYIDY-BZUAXINKSA-N 1 3 329.485 0.959 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](CC)OC)C[C@H]1OC ZINC001213764788 737132561 /nfs/dbraw/zinc/13/25/61/737132561.db2.gz CNSKQGSQTPYIDY-BZUAXINKSA-N 1 3 329.485 0.959 20 0 ECADHO O=C(N1CC[C@]2(C1)CN(C[C@@H]1CCOC1)CCO2)C12CC[NH+](CC1)C2 ZINC000972640918 737204948 /nfs/dbraw/zinc/20/49/48/737204948.db2.gz OVDNFHPHBSKAQK-QFBILLFUSA-N 1 3 349.475 0.422 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001024026425 737639976 /nfs/dbraw/zinc/63/99/76/737639976.db2.gz CYRLVCROWXRVDL-ZBFHGGJFSA-N 1 3 336.484 0.730 20 0 ECADHO COc1cc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001024263287 737870144 /nfs/dbraw/zinc/87/01/44/737870144.db2.gz BYKNNNLCMZOMKU-KGLIPLIRSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001024263287 737870149 /nfs/dbraw/zinc/87/01/49/737870149.db2.gz BYKNNNLCMZOMKU-KGLIPLIRSA-N 1 3 336.436 0.963 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024264434 737871285 /nfs/dbraw/zinc/87/12/85/737871285.db2.gz QSUJDDLBXFEULX-LSDHHAIUSA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024264434 737871288 /nfs/dbraw/zinc/87/12/88/737871288.db2.gz QSUJDDLBXFEULX-LSDHHAIUSA-N 1 3 334.468 0.578 20 0 ECADHO CCN(CC)C(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678548 738015889 /nfs/dbraw/zinc/01/58/89/738015889.db2.gz OFUKKLHVWDQSRJ-QQFBHYJXSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001006460163 751410225 /nfs/dbraw/zinc/41/02/25/751410225.db2.gz ZLSYTNIIVKVXNV-GJZGRUSLSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000973423582 739251769 /nfs/dbraw/zinc/25/17/69/739251769.db2.gz RQAFAGRUKOKFRI-BPUTZDHNSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)NC1CC1 ZINC001104732142 739574374 /nfs/dbraw/zinc/57/43/74/739574374.db2.gz PUXVCZKIZZZNCC-MGPQQGTHSA-N 1 3 347.463 0.694 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CCCC2)C1 ZINC000973615091 739586529 /nfs/dbraw/zinc/58/65/29/739586529.db2.gz RLYKXQKPHKBQLG-MGNMYUMUSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CCCC2)C1 ZINC000973615091 739586532 /nfs/dbraw/zinc/58/65/32/739586532.db2.gz RLYKXQKPHKBQLG-MGNMYUMUSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025780047 739938055 /nfs/dbraw/zinc/93/80/55/739938055.db2.gz NIIKMGFWZGYBCW-XFIYOXNOSA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025780047 739938060 /nfs/dbraw/zinc/93/80/60/739938060.db2.gz NIIKMGFWZGYBCW-XFIYOXNOSA-N 1 3 334.464 0.184 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025809018 739976042 /nfs/dbraw/zinc/97/60/42/739976042.db2.gz MVWAGNLVTOALRB-XFIYOXNOSA-N 1 3 334.464 0.186 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025809018 739976045 /nfs/dbraw/zinc/97/60/45/739976045.db2.gz MVWAGNLVTOALRB-XFIYOXNOSA-N 1 3 334.464 0.186 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3C[C@]34CCOC4)C[C@H]21 ZINC001026142856 740416329 /nfs/dbraw/zinc/41/63/29/740416329.db2.gz ZHZUIEQYDODMEX-ZVPUSRDESA-N 1 3 330.432 0.734 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3C[C@]34CCOC4)C[C@H]21 ZINC001026142856 740416331 /nfs/dbraw/zinc/41/63/31/740416331.db2.gz ZHZUIEQYDODMEX-ZVPUSRDESA-N 1 3 330.432 0.734 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COC)C1 ZINC001104937531 740971820 /nfs/dbraw/zinc/97/18/20/740971820.db2.gz CTTFOSFAASNCLZ-BZUAXINKSA-N 1 3 329.485 0.410 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000974164143 741040071 /nfs/dbraw/zinc/04/00/71/741040071.db2.gz YJFNHGCNZMOKGA-MXASKKJJSA-N 1 3 348.491 0.433 20 0 ECADHO O=C(N1CC2(C1)CCCN(CCn1cccn1)C2)C12CC[NH+](CC1)C2 ZINC000982118293 751612546 /nfs/dbraw/zinc/61/25/46/751612546.db2.gz MFXQMBFXGSNYPH-UHFFFAOYSA-N 1 3 343.475 0.903 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000974327277 741327673 /nfs/dbraw/zinc/32/76/73/741327673.db2.gz SFEVLFKPUJJUBV-YHUYYLMFSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000974327277 741327678 /nfs/dbraw/zinc/32/76/78/741327678.db2.gz SFEVLFKPUJJUBV-YHUYYLMFSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]CCn2cncn2)CC1 ZINC001026560918 741556461 /nfs/dbraw/zinc/55/64/61/741556461.db2.gz JRDDRXNSDTVHFK-FHERZECASA-N 1 3 334.468 0.779 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105265061 741602972 /nfs/dbraw/zinc/60/29/72/741602972.db2.gz WJLYQOIKIZULHO-INIZCTEOSA-N 1 3 336.484 0.993 20 0 ECADHO COc1ccc(CNC2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001026605602 741606577 /nfs/dbraw/zinc/60/65/77/741606577.db2.gz VEGMMBVFZDYGOP-WLYUNCDWSA-N 1 3 347.463 0.954 20 0 ECADHO COc1ccc(CNC2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001026605602 741606578 /nfs/dbraw/zinc/60/65/78/741606578.db2.gz VEGMMBVFZDYGOP-WLYUNCDWSA-N 1 3 347.463 0.954 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001026735103 741734036 /nfs/dbraw/zinc/73/40/36/741734036.db2.gz YOIOGMCKPSLNPR-WBVHZDCISA-N 1 3 344.459 0.818 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001105318822 741764683 /nfs/dbraw/zinc/76/46/83/741764683.db2.gz PROKQDSKQXRCRM-UHFFFAOYSA-N 1 3 334.468 0.893 20 0 ECADHO CO[C@@H](C)CN1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982165486 751669551 /nfs/dbraw/zinc/66/95/51/751669551.db2.gz ISOGFZPJACTWNB-HNNXBMFYSA-N 1 3 337.468 0.628 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001026841452 741947974 /nfs/dbraw/zinc/94/79/74/741947974.db2.gz IBFDXUQSAJGRFU-HOCLYGCPSA-N 1 3 334.468 0.626 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001026841452 741947975 /nfs/dbraw/zinc/94/79/75/741947975.db2.gz IBFDXUQSAJGRFU-HOCLYGCPSA-N 1 3 334.468 0.626 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC001026884736 742023961 /nfs/dbraw/zinc/02/39/61/742023961.db2.gz BHQHLLQYKHIGPJ-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001026885267 742025318 /nfs/dbraw/zinc/02/53/18/742025318.db2.gz HSUIZLUZRLJZJM-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC001027022033 742315274 /nfs/dbraw/zinc/31/52/74/742315274.db2.gz ZOVPMBPIPZNYKH-XHSDSOJGSA-N 1 3 348.495 0.966 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001027022033 742315278 /nfs/dbraw/zinc/31/52/78/742315278.db2.gz ZOVPMBPIPZNYKH-XHSDSOJGSA-N 1 3 348.495 0.966 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)on1 ZINC001027037290 742350257 /nfs/dbraw/zinc/35/02/57/742350257.db2.gz RYUFKDUYHCGBSU-CYBMUJFWSA-N 1 3 336.436 0.963 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091093 742523878 /nfs/dbraw/zinc/52/38/78/742523878.db2.gz DCLYVUSWARDVCD-DZGCQCFKSA-N 1 3 333.436 0.400 20 0 ECADHO COc1ncc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)n1 ZINC001027091620 742526114 /nfs/dbraw/zinc/52/61/14/742526114.db2.gz QSIJFYSGDVKAOY-CYBMUJFWSA-N 1 3 344.419 0.698 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000975306018 742707827 /nfs/dbraw/zinc/70/78/27/742707827.db2.gz DZHHOYMCMCZLLZ-IJEWVQPXSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000975306018 742707830 /nfs/dbraw/zinc/70/78/30/742707830.db2.gz DZHHOYMCMCZLLZ-IJEWVQPXSA-N 1 3 347.463 0.647 20 0 ECADHO COC(=O)[C@@H](CCC[NH3+])Nc1cncc(OCCN2CCCC2)n1 ZINC001167896472 751775504 /nfs/dbraw/zinc/77/55/04/751775504.db2.gz WGOYHVWLIPURGS-CYBMUJFWSA-N 1 3 337.424 0.644 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020541506 751778602 /nfs/dbraw/zinc/77/86/02/751778602.db2.gz AFQKAGGIYHRJLX-SHTZXODSSA-N 1 3 334.468 0.685 20 0 ECADHO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524601 743046618 /nfs/dbraw/zinc/04/66/18/743046618.db2.gz XRMJBHWWXGZCJV-LESCRADOSA-N 1 3 338.496 0.537 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000996999269 743110842 /nfs/dbraw/zinc/11/08/42/743110842.db2.gz NALKERBPFLRJTH-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]C[C@H]3CCc4ncnn43)CC2)C1 ZINC000997004755 743118714 /nfs/dbraw/zinc/11/87/14/743118714.db2.gz GMZAIGYEFCTFSZ-GOEBONIOSA-N 1 3 346.479 0.688 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997011511 743128202 /nfs/dbraw/zinc/12/82/02/743128202.db2.gz VZKAUFGMWAVMQM-CJNGLKHVSA-N 1 3 347.463 0.764 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997011511 743128206 /nfs/dbraw/zinc/12/82/06/743128206.db2.gz VZKAUFGMWAVMQM-CJNGLKHVSA-N 1 3 347.463 0.764 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CNCc3cn(CC4CC4)nn3)C2)C1 ZINC001027216090 743190934 /nfs/dbraw/zinc/19/09/34/743190934.db2.gz QYPSITWQOBKTJW-HOTGVXAUSA-N 1 3 346.479 0.578 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CNCc3cn(CC4CC4)nn3)C2)C1 ZINC001027216090 743190938 /nfs/dbraw/zinc/19/09/38/743190938.db2.gz QYPSITWQOBKTJW-HOTGVXAUSA-N 1 3 346.479 0.578 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CNCc3cc4n(n3)CCC4)C2)C1 ZINC001027216137 743191268 /nfs/dbraw/zinc/19/12/68/743191268.db2.gz RRFUTIAFNBDAMJ-CABCVRRESA-N 1 3 331.464 0.719 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CNCc3cc4n(n3)CCC4)C2)C1 ZINC001027216137 743191273 /nfs/dbraw/zinc/19/12/73/743191273.db2.gz RRFUTIAFNBDAMJ-CABCVRRESA-N 1 3 331.464 0.719 20 0 ECADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001020587717 751847856 /nfs/dbraw/zinc/84/78/56/751847856.db2.gz RQNUVCFIIRYFRT-CENBSLRLSA-N 1 3 328.432 0.310 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)C1 ZINC001020590103 751854123 /nfs/dbraw/zinc/85/41/23/751854123.db2.gz MJXFPFWBBJBUCN-AJNGGQMLSA-N 1 3 332.452 0.344 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001020589850 751854418 /nfs/dbraw/zinc/85/44/18/751854418.db2.gz FICRVZCORAPOKQ-KLHDSHLOSA-N 1 3 336.480 0.574 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCN2CCCC2=O)C1 ZINC001027334906 743771967 /nfs/dbraw/zinc/77/19/67/743771967.db2.gz XTDSYKKGHWLGEK-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCN2CCCC2=O)C1 ZINC001027334906 743771971 /nfs/dbraw/zinc/77/19/71/743771971.db2.gz XTDSYKKGHWLGEK-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998083591 743968868 /nfs/dbraw/zinc/96/88/68/743968868.db2.gz WOMVUDGXKRFKBX-GOEBONIOSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998083591 743968870 /nfs/dbraw/zinc/96/88/70/743968870.db2.gz WOMVUDGXKRFKBX-GOEBONIOSA-N 1 3 333.480 0.946 20 0 ECADHO Cn1nncc1C[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000998083560 743969169 /nfs/dbraw/zinc/96/91/69/743969169.db2.gz WCPDAVNMZUZLIK-UHFFFAOYSA-N 1 3 348.495 0.875 20 0 ECADHO CN1CCC[C@H]([NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000998117245 743986668 /nfs/dbraw/zinc/98/66/68/743986668.db2.gz YKFQDTBXCXBODP-HNNXBMFYSA-N 1 3 333.436 0.401 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000998122215 743989169 /nfs/dbraw/zinc/98/91/69/743989169.db2.gz YKBAQMBAGAZBCW-MRXNPFEDSA-N 1 3 347.463 0.790 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976509639 744039258 /nfs/dbraw/zinc/03/92/58/744039258.db2.gz UJJKNUUOYXCBPY-HPFXQQBRSA-N 1 3 348.491 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976509639 744039262 /nfs/dbraw/zinc/03/92/62/744039262.db2.gz UJJKNUUOYXCBPY-HPFXQQBRSA-N 1 3 348.491 0.528 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NCCO)C2)CC1 ZINC000998282516 744096876 /nfs/dbraw/zinc/09/68/76/744096876.db2.gz AMYADBYGXIIMJM-OLZOCXBDSA-N 1 3 337.386 0.690 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]21 ZINC000976656257 744170427 /nfs/dbraw/zinc/17/04/27/744170427.db2.gz IOCOYOMRDFWSHG-ALYAQQCSSA-N 1 3 348.491 0.528 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]21 ZINC000976656257 744170431 /nfs/dbraw/zinc/17/04/31/744170431.db2.gz IOCOYOMRDFWSHG-ALYAQQCSSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000976663911 744196294 /nfs/dbraw/zinc/19/62/94/744196294.db2.gz UQLKRRJIIFUFOS-XHWCBRGXSA-N 1 3 348.491 0.528 20 0 ECADHO CC[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1)C(N)=O ZINC001211669178 744388016 /nfs/dbraw/zinc/38/80/16/744388016.db2.gz MDALTTFAJYWJOR-YESZJQIVSA-N 1 3 346.475 0.786 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477476 744704918 /nfs/dbraw/zinc/70/49/18/744704918.db2.gz HMTRHCMLSQFPBC-MRXNPFEDSA-N 1 3 346.479 0.829 20 0 ECADHO CC1CCN(CC(=O)N(C)C2CC([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC000999598378 744782773 /nfs/dbraw/zinc/78/27/73/744782773.db2.gz MWMCAFHSWCNOIZ-UYSNPLJNSA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)c1ccncc1C(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000999700131 744851479 /nfs/dbraw/zinc/85/14/79/744851479.db2.gz XJUKUPADRNPKMH-UHFFFAOYSA-N 1 3 343.435 0.669 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC000999834120 744929046 /nfs/dbraw/zinc/92/90/46/744929046.db2.gz RWVBWTJJMFBZEA-SHARSMKWSA-N 1 3 332.452 0.440 20 0 ECADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001100378393 751960883 /nfs/dbraw/zinc/96/08/83/751960883.db2.gz XVHKHVQEUPAJEF-NRXISQOPSA-N 1 3 344.475 0.629 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000999880340 744992080 /nfs/dbraw/zinc/99/20/80/744992080.db2.gz ZTNMFDQFGBCQDZ-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000999880340 744992084 /nfs/dbraw/zinc/99/20/84/744992084.db2.gz ZTNMFDQFGBCQDZ-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001029145968 745164834 /nfs/dbraw/zinc/16/48/34/745164834.db2.gz GCJGAYJLPIGPLW-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001029145968 745164840 /nfs/dbraw/zinc/16/48/40/745164840.db2.gz GCJGAYJLPIGPLW-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535795 745212377 /nfs/dbraw/zinc/21/23/77/745212377.db2.gz ASWNCVLQQVVXFA-DCGLDWPTSA-N 1 3 333.436 0.305 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000690500 745702521 /nfs/dbraw/zinc/70/25/21/745702521.db2.gz VTCCDWHONWPQQC-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000690500 745702525 /nfs/dbraw/zinc/70/25/25/745702525.db2.gz VTCCDWHONWPQQC-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(N1CCC[C@@H](NCc2n[nH]c(C3CC3)n2)C1)C12CC[NH+](CC1)C2 ZINC001000700974 745708897 /nfs/dbraw/zinc/70/88/97/745708897.db2.gz GQNUWDNKBJSDOY-CQSZACIVSA-N 1 3 344.463 0.859 20 0 ECADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001000710280 745715076 /nfs/dbraw/zinc/71/50/76/745715076.db2.gz KJIMFEZIDKQFRC-MRXNPFEDSA-N 1 3 329.448 0.961 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]2CN(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000978073262 745881371 /nfs/dbraw/zinc/88/13/71/745881371.db2.gz VROJNESDDMDNFW-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001000926457 745906741 /nfs/dbraw/zinc/90/67/41/745906741.db2.gz ONARENBTBKEKNZ-RDJZCZTQSA-N 1 3 349.479 0.469 20 0 ECADHO C[N@H+](C[C@H]1CCNC(=O)CC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027595154 746029159 /nfs/dbraw/zinc/02/91/59/746029159.db2.gz VWAIDBRYQDCNNT-GDBMZVCRSA-N 1 3 347.463 0.791 20 0 ECADHO C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027595154 746029161 /nfs/dbraw/zinc/02/91/61/746029161.db2.gz VWAIDBRYQDCNNT-GDBMZVCRSA-N 1 3 347.463 0.791 20 0 ECADHO CN1CC[C@@H](N2CCC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1=O ZINC001001414543 746354563 /nfs/dbraw/zinc/35/45/63/746354563.db2.gz NIAMSVHEBGFBNF-DLBZAZTESA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H](O)C[NH+]1CCC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001645771 746567577 /nfs/dbraw/zinc/56/75/77/746567577.db2.gz LLAMOXGQOUJEEZ-ZFRYHDOHSA-N 1 3 337.464 0.059 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC001002085706 746963238 /nfs/dbraw/zinc/96/32/38/746963238.db2.gz 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ZINC001003302036 748398553 /nfs/dbraw/zinc/39/85/53/748398553.db2.gz SMJCDFDKIUEUDG-INIZCTEOSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000979773404 748399808 /nfs/dbraw/zinc/39/98/08/748399808.db2.gz NCKMQSJZVZMIMZ-JONQDZQNSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000979773404 748399815 /nfs/dbraw/zinc/39/98/15/748399815.db2.gz NCKMQSJZVZMIMZ-JONQDZQNSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088325328 748726739 /nfs/dbraw/zinc/72/67/39/748726739.db2.gz NQWBMDJFPUKHRW-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088325328 748726743 /nfs/dbraw/zinc/72/67/43/748726743.db2.gz NQWBMDJFPUKHRW-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC001003630036 748743163 /nfs/dbraw/zinc/74/31/63/748743163.db2.gz 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CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985803073 749137406 /nfs/dbraw/zinc/13/74/06/749137406.db2.gz APASXCGRGDAGEU-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO COC[C@@H](C)N1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889545 749150808 /nfs/dbraw/zinc/15/08/08/749150808.db2.gz CADYGSBJYFVQCE-HUUCEWRRSA-N 1 3 337.468 0.674 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001051356860 761932625 /nfs/dbraw/zinc/93/26/25/761932625.db2.gz STGXGGGCVHOXMW-MCIONIFRSA-N 1 3 338.452 0.103 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059673529 749328456 /nfs/dbraw/zinc/32/84/56/749328456.db2.gz ATOABHDPTOPDND-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001059673529 749328464 /nfs/dbraw/zinc/32/84/64/749328464.db2.gz ATOABHDPTOPDND-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059676959 749372552 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ECADHO COc1cncc(CNCC2(CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001168138708 749537997 /nfs/dbraw/zinc/53/79/97/749537997.db2.gz VJXPPYLDPUXDLM-AWEZNQCLSA-N 1 3 347.463 0.813 20 0 ECADHO COc1cncc(CNCC2(CCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001168138708 749538001 /nfs/dbraw/zinc/53/80/01/749538001.db2.gz VJXPPYLDPUXDLM-AWEZNQCLSA-N 1 3 347.463 0.813 20 0 ECADHO C[C@@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)CN(C)C1CCC1 ZINC000986353805 749810429 /nfs/dbraw/zinc/81/04/29/749810429.db2.gz JKFDJDWACTWDEG-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351541 749839015 /nfs/dbraw/zinc/83/90/15/749839015.db2.gz CJRDHZAEMBFKAB-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCN2CCCC2=O)CC1 ZINC001167836323 750514779 /nfs/dbraw/zinc/51/47/79/750514779.db2.gz UAPCAVCWSPAINF-UHFFFAOYSA-N 1 3 338.496 0.827 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000987168087 750561710 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KHHJRGTWJQSEBG-OAHLLOKOSA-N 1 3 334.464 0.143 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989337095 753647271 /nfs/dbraw/zinc/64/72/71/753647271.db2.gz SXDBFQLIUSEIFY-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989337095 753647279 /nfs/dbraw/zinc/64/72/79/753647279.db2.gz SXDBFQLIUSEIFY-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001075942798 753952569 /nfs/dbraw/zinc/95/25/69/753952569.db2.gz RPWZZPMEPOTEFU-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO O=C(NC[C@H]1CCN([C@@H]2CCCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001028624561 753965427 /nfs/dbraw/zinc/96/54/27/753965427.db2.gz BRLXJXXFWJDUQI-HZPDHXFCSA-N 1 3 348.491 0.579 20 0 ECADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051515724 762261871 /nfs/dbraw/zinc/26/18/71/762261871.db2.gz MJLNEAQXQGDMKE-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](O)COC)CC1 ZINC001168335672 754647403 /nfs/dbraw/zinc/64/74/03/754647403.db2.gz PEPPBYJFHLSSFQ-HOTGVXAUSA-N 1 3 341.496 0.744 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC000990276356 754931799 /nfs/dbraw/zinc/93/17/99/754931799.db2.gz ICAFVRWFVBVSML-CABCVRRESA-N 1 3 332.452 0.440 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000990278385 754933966 /nfs/dbraw/zinc/93/39/66/754933966.db2.gz QSXOBRMIOFNZAJ-UKRRQHHQSA-N 1 3 343.493 0.096 20 0 ECADHO Cc1noc(CCCN2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001009518714 754970161 /nfs/dbraw/zinc/97/01/61/754970161.db2.gz SSIHAVLVJNVGTA-HNNXBMFYSA-N 1 3 335.452 0.987 20 0 ECADHO CCN1CC[C@H](N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778892 755085739 /nfs/dbraw/zinc/08/57/39/755085739.db2.gz NVDSRZZUWIYSMS-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@@H]1N(C(=O)CN(C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105673029 755791138 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CNTRBYBXZJUEJR-ZNMIVQPWSA-N 1 3 326.485 0.535 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001076587925 756692976 /nfs/dbraw/zinc/69/29/76/756692976.db2.gz GVRALBDAFBVXGC-LSDHHAIUSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001076587925 756692982 /nfs/dbraw/zinc/69/29/82/756692982.db2.gz GVRALBDAFBVXGC-LSDHHAIUSA-N 1 3 340.512 0.927 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001011158893 757058742 /nfs/dbraw/zinc/05/87/42/757058742.db2.gz IIIFOSPPKJOTRS-OAHLLOKOSA-N 1 3 336.480 0.341 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001011158893 757058747 /nfs/dbraw/zinc/05/87/47/757058747.db2.gz IIIFOSPPKJOTRS-OAHLLOKOSA-N 1 3 336.480 0.341 20 0 ECADHO Cn1cc(CN2C[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)cn1 ZINC001048823798 757112423 /nfs/dbraw/zinc/11/24/23/757112423.db2.gz KDVKOLGBFGLLGF-FGTMMUONSA-N 1 3 343.475 0.652 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001011262428 757322029 /nfs/dbraw/zinc/32/20/29/757322029.db2.gz GXINJMGZPCEHLV-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001011262428 757322041 /nfs/dbraw/zinc/32/20/41/757322041.db2.gz GXINJMGZPCEHLV-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996310086 757336499 /nfs/dbraw/zinc/33/64/99/757336499.db2.gz KAZGIERUKYQWHP-CVEARBPZSA-N 1 3 334.464 0.282 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@H]([NH2+][C@H]3CCNC3=O)C(C)(C)C2)C1 ZINC000996311183 757338808 /nfs/dbraw/zinc/33/88/08/757338808.db2.gz QMCWCATZMJFQQS-KBPBESRZSA-N 1 3 336.480 0.433 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)N(C)C ZINC001011321314 757509385 /nfs/dbraw/zinc/50/93/85/757509385.db2.gz JPQWMKFTMCSDFH-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048959355 757518353 /nfs/dbraw/zinc/51/83/53/757518353.db2.gz GIJHYEFICHFMGV-YVSFHVDLSA-N 1 3 348.491 0.515 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N2C[C@@H](NCCF)C(C)(C)C2)cn1 ZINC000996401139 757553972 /nfs/dbraw/zinc/55/39/72/757553972.db2.gz KFCCOXGKBDMODF-CQSZACIVSA-N 1 3 325.432 0.854 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001076924271 757610968 /nfs/dbraw/zinc/61/09/68/757610968.db2.gz HLPGSQHLKGSYJH-LSDHHAIUSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001076924271 757610973 /nfs/dbraw/zinc/61/09/73/757610973.db2.gz HLPGSQHLKGSYJH-LSDHHAIUSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@H](C1CC1)N(C)C)[NH+](C)C ZINC001076956341 757742647 /nfs/dbraw/zinc/74/26/47/757742647.db2.gz LMGDIBLTQIPZRI-IMJJTQAJSA-N 1 3 340.512 0.924 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]2CN(Cc3cncn3C)C[C@H]2C1)[NH+](C)C ZINC001049038596 757755276 /nfs/dbraw/zinc/75/52/76/757755276.db2.gz JWWRMSBFMKNOKY-HLLBOEOZSA-N 1 3 333.480 0.897 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1)[NH+](C)C ZINC001049038394 757755305 /nfs/dbraw/zinc/75/53/05/757755305.db2.gz GQECUFOBIDVZCS-IXDOHACOSA-N 1 3 333.480 0.897 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001049038021 757755360 /nfs/dbraw/zinc/75/53/60/757755360.db2.gz DICBKFVYZUDDEY-XUWVNRHRSA-N 1 3 336.480 0.194 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001049038021 757755364 /nfs/dbraw/zinc/75/53/64/757755364.db2.gz DICBKFVYZUDDEY-XUWVNRHRSA-N 1 3 336.480 0.194 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2C1)N(C)C ZINC001049039945 757759590 /nfs/dbraw/zinc/75/95/90/757759590.db2.gz WHYAAEMHGBRQOB-SOLBZPMBSA-N 1 3 347.507 0.939 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2C1)N(C)C ZINC001049039945 757759596 /nfs/dbraw/zinc/75/95/96/757759596.db2.gz WHYAAEMHGBRQOB-SOLBZPMBSA-N 1 3 347.507 0.939 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1 ZINC001049057337 757804404 /nfs/dbraw/zinc/80/44/04/757804404.db2.gz OJVGGCGSROOZAP-NCOADZHNSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1 ZINC001049057337 757804419 /nfs/dbraw/zinc/80/44/19/757804419.db2.gz OJVGGCGSROOZAP-NCOADZHNSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCn4cccn4)C[C@@H]3C2)C1 ZINC001049058509 757814569 /nfs/dbraw/zinc/81/45/69/757814569.db2.gz FNBXNOULENDUJE-YESZJQIVSA-N 1 3 331.464 0.615 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]3C2)C1 ZINC001049058509 757814579 /nfs/dbraw/zinc/81/45/79/757814579.db2.gz FNBXNOULENDUJE-YESZJQIVSA-N 1 3 331.464 0.615 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC001049059170 757818513 /nfs/dbraw/zinc/81/85/13/757818513.db2.gz BSWZLJSYOLJJNQ-WCXIOVBPSA-N 1 3 348.491 0.197 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC001049059170 757818527 /nfs/dbraw/zinc/81/85/27/757818527.db2.gz BSWZLJSYOLJJNQ-WCXIOVBPSA-N 1 3 348.491 0.197 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC001049059167 757819982 /nfs/dbraw/zinc/81/99/82/757819982.db2.gz BSWZLJSYOLJJNQ-MWDXBVQZSA-N 1 3 348.491 0.197 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC001049059167 757819996 /nfs/dbraw/zinc/81/99/96/757819996.db2.gz BSWZLJSYOLJJNQ-MWDXBVQZSA-N 1 3 348.491 0.197 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)C1 ZINC001049060026 757827205 /nfs/dbraw/zinc/82/72/05/757827205.db2.gz LSWIBYLWFHLION-DAYGRLMNSA-N 1 3 341.471 0.972 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)C1 ZINC001049060026 757827213 /nfs/dbraw/zinc/82/72/13/757827213.db2.gz LSWIBYLWFHLION-DAYGRLMNSA-N 1 3 341.471 0.972 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996519005 757927795 /nfs/dbraw/zinc/92/77/95/757927795.db2.gz MCBCJEICZHWZBE-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996519005 757927801 /nfs/dbraw/zinc/92/78/01/757927801.db2.gz MCBCJEICZHWZBE-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CC(CN2C[C@@H](O)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC001077014256 757941838 /nfs/dbraw/zinc/94/18/38/757941838.db2.gz MIPRLEKMLKWNHB-GMGZGELVSA-N 1 3 349.479 0.266 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616546 758249893 /nfs/dbraw/zinc/24/98/93/758249893.db2.gz SYOMCANCSOXTHY-GDBMZVCRSA-N 1 3 348.495 0.885 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616546 758249903 /nfs/dbraw/zinc/24/99/03/758249903.db2.gz SYOMCANCSOXTHY-GDBMZVCRSA-N 1 3 348.495 0.885 20 0 ECADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001022089883 758262558 /nfs/dbraw/zinc/26/25/58/758262558.db2.gz NJIUMFDPTUPQFD-XHSDSOJGSA-N 1 3 345.447 0.564 20 0 ECADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)n1 ZINC000996623177 758268516 /nfs/dbraw/zinc/26/85/16/758268516.db2.gz VFYAMGDQZUAZJR-SJORKVTESA-N 1 3 347.463 0.364 20 0 ECADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)n1 ZINC000996623177 758268526 /nfs/dbraw/zinc/26/85/26/758268526.db2.gz VFYAMGDQZUAZJR-SJORKVTESA-N 1 3 347.463 0.364 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H](NCc3cncs3)C2)n1 ZINC001022097261 758272407 /nfs/dbraw/zinc/27/24/07/758272407.db2.gz QSGXYONMBLLYII-BETUJISGSA-N 1 3 348.476 0.952 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001022105235 758283343 /nfs/dbraw/zinc/28/33/43/758283343.db2.gz VRZATDWPXHAGBI-DMRZNYOFSA-N 1 3 347.463 0.871 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001022105235 758283348 /nfs/dbraw/zinc/28/33/48/758283348.db2.gz VRZATDWPXHAGBI-DMRZNYOFSA-N 1 3 347.463 0.871 20 0 ECADHO CC[C@@H](N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C)C(N)=O ZINC000996668470 758403528 /nfs/dbraw/zinc/40/35/28/758403528.db2.gz DKSSIWWXHXOEBU-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1)C1CC1 ZINC000996674189 758423344 /nfs/dbraw/zinc/42/33/44/758423344.db2.gz ASBVNXAKGPHASW-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CCC[C@@H]1C ZINC001077182304 758433759 /nfs/dbraw/zinc/43/37/59/758433759.db2.gz JTKZZOJNQXVAHH-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)nn1 ZINC000996677464 758447534 /nfs/dbraw/zinc/44/75/34/758447534.db2.gz JTDVJBQKPQPBBM-QGZVFWFLSA-N 1 3 347.463 0.906 20 0 ECADHO C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN1CCCC1 ZINC001011769977 758531940 /nfs/dbraw/zinc/53/19/40/758531940.db2.gz AZZXMBBZHIMUMI-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@@H](C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001060320109 762635885 /nfs/dbraw/zinc/63/58/85/762635885.db2.gz LVUKFMWJECUCSN-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO Cc1ccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1 ZINC001127779702 758626671 /nfs/dbraw/zinc/62/66/71/758626671.db2.gz QKCVGORHHNJTOB-DLBZAZTESA-N 1 3 332.448 0.767 20 0 ECADHO Cc1ccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)c(C)n1 ZINC001127779702 758626676 /nfs/dbraw/zinc/62/66/76/758626676.db2.gz QKCVGORHHNJTOB-DLBZAZTESA-N 1 3 332.448 0.767 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022452282 758743137 /nfs/dbraw/zinc/74/31/37/758743137.db2.gz LHEFNCLOWWUPPH-ZMTXJHKBSA-N 1 3 349.475 0.656 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022455064 758746248 /nfs/dbraw/zinc/74/62/48/758746248.db2.gz FIFKCJIAUMGKJU-FNYPPERVSA-N 1 3 349.475 0.513 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022455098 758746482 /nfs/dbraw/zinc/74/64/82/758746482.db2.gz GZCDADAEJUFTTR-BUYXHREJSA-N 1 3 335.448 0.123 20 0 ECADHO CC(C)(C)n1cc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC001127785206 758778153 /nfs/dbraw/zinc/77/81/53/758778153.db2.gz GTGZERIWSMUUEF-CVEARBPZSA-N 1 3 349.479 0.707 20 0 ECADHO CC(C)(C)n1cc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC001127785206 758778155 /nfs/dbraw/zinc/77/81/55/758778155.db2.gz GTGZERIWSMUUEF-CVEARBPZSA-N 1 3 349.479 0.707 20 0 ECADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001022711056 759024086 /nfs/dbraw/zinc/02/40/86/759024086.db2.gz RQNUVCFIIRYFRT-OVZMXSCWSA-N 1 3 328.432 0.310 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107038951 759489337 /nfs/dbraw/zinc/48/93/37/759489337.db2.gz IBMBCYRCGDMGSW-HUUCEWRRSA-N 1 3 326.485 0.489 20 0 ECADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042418 759503038 /nfs/dbraw/zinc/50/30/38/759503038.db2.gz LYDSNZLEHLKSRW-HZPDHXFCSA-N 1 3 340.512 0.783 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001054298343 767907608 /nfs/dbraw/zinc/90/76/08/767907608.db2.gz VJZVIPGNLJXLHM-PMPSAXMXSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2nncn2C)CC1 ZINC001050366179 760186910 /nfs/dbraw/zinc/18/69/10/760186910.db2.gz QJKILTCAAQTVAD-KLHDSHLOSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNCc2nncn2C)CC1 ZINC001050366179 760186919 /nfs/dbraw/zinc/18/69/19/760186919.db2.gz QJKILTCAAQTVAD-KLHDSHLOSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@H](NC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1nnnn1C ZINC001050390067 760219755 /nfs/dbraw/zinc/21/97/55/760219755.db2.gz LGFOQJSIBDFJNC-AJNGGQMLSA-N 1 3 349.483 0.487 20 0 ECADHO C[C@H](NC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1nnnn1C ZINC001050390067 760219762 /nfs/dbraw/zinc/21/97/62/760219762.db2.gz LGFOQJSIBDFJNC-AJNGGQMLSA-N 1 3 349.483 0.487 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000911163808 760224548 /nfs/dbraw/zinc/22/45/48/760224548.db2.gz ZJTXFWQUWYZTNA-QAPCUYQASA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CNCc1cn(C)nn1 ZINC001048339480 760336897 /nfs/dbraw/zinc/33/68/97/760336897.db2.gz UQSIHCUFVURDEK-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cn1 ZINC001048398425 760440287 /nfs/dbraw/zinc/44/02/87/760440287.db2.gz QISQZKNLJJTYGC-WFASDCNBSA-N 1 3 328.420 0.935 20 0 ECADHO COc1cc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)on1 ZINC001048441904 760537661 /nfs/dbraw/zinc/53/76/61/760537661.db2.gz SYQONLJLEQUTEP-UONOGXRCSA-N 1 3 348.447 0.963 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995799050 760622858 /nfs/dbraw/zinc/62/28/58/760622858.db2.gz QWDBHYIHPJCORL-JKSUJKDBSA-N 1 3 348.495 0.978 20 0 ECADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CCn1cncn1)CC2)N(C)C ZINC001050650052 760627734 /nfs/dbraw/zinc/62/77/34/760627734.db2.gz BZVZRGKYABKXKL-MRXNPFEDSA-N 1 3 348.495 0.789 20 0 ECADHO O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001083655155 760643697 /nfs/dbraw/zinc/64/36/97/760643697.db2.gz ZHNJVMJBKJFPBO-XFHVWQCUSA-N 1 3 349.475 0.201 20 0 ECADHO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001083655155 760643707 /nfs/dbraw/zinc/64/37/07/760643707.db2.gz ZHNJVMJBKJFPBO-XFHVWQCUSA-N 1 3 349.475 0.201 20 0 ECADHO C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048526092 760662161 /nfs/dbraw/zinc/66/21/61/760662161.db2.gz OGKZYIOMFBEXJD-LZDOMEQBSA-N 1 3 348.491 0.561 20 0 ECADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2(C)C)n[nH]1 ZINC000995819239 760686975 /nfs/dbraw/zinc/68/69/75/760686975.db2.gz FCQMOPBVRGPQOL-HUUCEWRRSA-N 1 3 346.479 0.782 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001050732071 760749520 /nfs/dbraw/zinc/74/95/20/760749520.db2.gz CUALIXBXQFVCJP-CQSZACIVSA-N 1 3 334.464 0.271 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753378 760778834 /nfs/dbraw/zinc/77/88/34/760778834.db2.gz KBHZZWXWNARRNE-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753378 760778839 /nfs/dbraw/zinc/77/88/39/760778839.db2.gz KBHZZWXWNARRNE-HUUCEWRRSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001127077695 760821920 /nfs/dbraw/zinc/82/19/20/760821920.db2.gz HXJJHFLAEKIEKH-AWEZNQCLSA-N 1 3 326.485 0.727 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001127077695 760821928 /nfs/dbraw/zinc/82/19/28/760821928.db2.gz HXJJHFLAEKIEKH-AWEZNQCLSA-N 1 3 326.485 0.727 20 0 ECADHO CN1CC[C@H](N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)C1=O ZINC000995993662 760917090 /nfs/dbraw/zinc/91/70/90/760917090.db2.gz CEESHAZAFYOUAN-LSDHHAIUSA-N 1 3 348.491 0.672 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001017459901 768005903 /nfs/dbraw/zinc/00/59/03/768005903.db2.gz PSIBFGMYVOQJGS-HZPDHXFCSA-N 1 3 334.464 0.307 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001017459901 768005910 /nfs/dbraw/zinc/00/59/10/768005910.db2.gz PSIBFGMYVOQJGS-HZPDHXFCSA-N 1 3 334.464 0.307 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991478284 761132371 /nfs/dbraw/zinc/13/23/71/761132371.db2.gz KINQFWXKSRMRMO-CVEARBPZSA-N 1 3 338.496 0.772 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000991478284 761132374 /nfs/dbraw/zinc/13/23/74/761132374.db2.gz KINQFWXKSRMRMO-CVEARBPZSA-N 1 3 338.496 0.772 20 0 ECADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249576 768014506 /nfs/dbraw/zinc/01/45/06/768014506.db2.gz LDNWUTYEULVWPT-DJIMGWMZSA-N 1 3 341.496 0.674 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001017463889 768010729 /nfs/dbraw/zinc/01/07/29/768010729.db2.gz CCTHNRLAOUZJDB-DLBZAZTESA-N 1 3 348.491 0.697 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001017463889 768010735 /nfs/dbraw/zinc/01/07/35/768010735.db2.gz CCTHNRLAOUZJDB-DLBZAZTESA-N 1 3 348.491 0.697 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001017464518 768012696 /nfs/dbraw/zinc/01/26/96/768012696.db2.gz IVYYIEAAQXVKJO-AWEZNQCLSA-N 1 3 331.420 0.179 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001017464518 768012704 /nfs/dbraw/zinc/01/27/04/768012704.db2.gz IVYYIEAAQXVKJO-AWEZNQCLSA-N 1 3 331.420 0.179 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]Cc3cccnc3)C2)C1 ZINC001051825132 763053939 /nfs/dbraw/zinc/05/39/39/763053939.db2.gz QWJHUBFAUVBWHF-RDJZCZTQSA-N 1 3 332.448 0.740 20 0 ECADHO C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001046777796 763110231 /nfs/dbraw/zinc/11/02/31/763110231.db2.gz XVLOPHSGJMVJFJ-YOEHRIQHSA-N 1 3 344.463 0.442 20 0 ECADHO Cc1ccncc1CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904104 763287514 /nfs/dbraw/zinc/28/75/14/763287514.db2.gz APEPPULZFSIUBD-KRWDZBQOSA-N 1 3 344.459 0.803 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001046891827 763316135 /nfs/dbraw/zinc/31/61/35/763316135.db2.gz KJBUZBZVXVBAEB-YOEHRIQHSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](O)CN1CCC(F)(F)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046990215 763523310 /nfs/dbraw/zinc/52/33/10/763523310.db2.gz NUJVVFMILHLVMY-STQMWFEESA-N 1 3 331.407 0.536 20 0 ECADHO CCCN(CCC)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127691049 763544753 /nfs/dbraw/zinc/54/47/53/763544753.db2.gz ZFMTWPDWKWXJLL-HUUCEWRRSA-N 1 3 326.485 0.681 20 0 ECADHO CCCN(CCC)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127691049 763544756 /nfs/dbraw/zinc/54/47/56/763544756.db2.gz ZFMTWPDWKWXJLL-HUUCEWRRSA-N 1 3 326.485 0.681 20 0 ECADHO Cc1noc(CCC[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001014964271 763559789 /nfs/dbraw/zinc/55/97/89/763559789.db2.gz QOPLDVLPZFBGJY-CABCVRRESA-N 1 3 335.452 0.985 20 0 ECADHO Cc1noc(CCC[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001014964271 763559795 /nfs/dbraw/zinc/55/97/95/763559795.db2.gz QOPLDVLPZFBGJY-CABCVRRESA-N 1 3 335.452 0.985 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@H](C)C(C)C)CC[N@@H+]1C ZINC001127695655 763563777 /nfs/dbraw/zinc/56/37/77/763563777.db2.gz RZAOWMCVAGRKGM-QLFBSQMISA-N 1 3 326.485 0.583 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@H](C)C(C)C)CC[N@H+]1C ZINC001127695655 763563780 /nfs/dbraw/zinc/56/37/80/763563780.db2.gz RZAOWMCVAGRKGM-QLFBSQMISA-N 1 3 326.485 0.583 20 0 ECADHO CC(C)(C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1)N1CCCCC1 ZINC001127322179 768147088 /nfs/dbraw/zinc/14/70/88/768147088.db2.gz NECVMFRJMDQNTB-OAHLLOKOSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C[C@@H](O)Cn3cccn3)C2)CC[N@@H+]1C ZINC001031925805 763604461 /nfs/dbraw/zinc/60/44/61/763604461.db2.gz OHZVMQUFWUJLNB-BHYGNILZSA-N 1 3 349.479 0.022 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C[C@@H](O)Cn3cccn3)C2)CC[N@H+]1C ZINC001031925805 763604466 /nfs/dbraw/zinc/60/44/66/763604466.db2.gz OHZVMQUFWUJLNB-BHYGNILZSA-N 1 3 349.479 0.022 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)Cc1c[nH]cn1 ZINC001015034068 763712357 /nfs/dbraw/zinc/71/23/57/763712357.db2.gz JECJFWNROOQWLH-CJNGLKHVSA-N 1 3 347.463 0.790 20 0 ECADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106339800 768164749 /nfs/dbraw/zinc/16/47/49/768164749.db2.gz AUFSFNOMONYQAA-ZIAGYGMSSA-N 1 3 326.485 0.537 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106339822 768164994 /nfs/dbraw/zinc/16/49/94/768164994.db2.gz BOCGGGTXNUKVNQ-ZIAGYGMSSA-N 1 3 326.485 0.489 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106340487 768165369 /nfs/dbraw/zinc/16/53/69/768165369.db2.gz ZUBGZCZOBVUMPT-HUUCEWRRSA-N 1 3 340.512 0.927 20 0 ECADHO Cn1ccc(CNC[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995164596 763827061 /nfs/dbraw/zinc/82/70/61/763827061.db2.gz AXIZVEGMYMJTGZ-HUUCEWRRSA-N 1 3 331.464 0.890 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1CCc1ccnn1C ZINC001088980625 764685601 /nfs/dbraw/zinc/68/56/01/764685601.db2.gz NGUZGVJORULXNW-INMHGKMJSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1CCc1ccnn1C ZINC001088980625 764685608 /nfs/dbraw/zinc/68/56/08/764685608.db2.gz NGUZGVJORULXNW-INMHGKMJSA-N 1 3 333.480 0.883 20 0 ECADHO CN1CC[C@@H](N2CCC[C@H](NC(=O)C34CCC[NH+]3CCC4)CC2)C1=O ZINC001052527588 764696416 /nfs/dbraw/zinc/69/64/16/764696416.db2.gz FNZNDVVLEBIVIF-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CC[C@@H](N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001052870229 765264757 /nfs/dbraw/zinc/26/47/57/765264757.db2.gz RMQFLYHQADHARE-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO CCN1CC[C@H](N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001052871631 765266496 /nfs/dbraw/zinc/26/64/96/765266496.db2.gz LWBMXIPRJUDDKZ-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCN(C[C@@H]3CCCCO3)C2)cn1 ZINC001015828280 765391357 /nfs/dbraw/zinc/39/13/57/765391357.db2.gz ZQXFIWMKWLHBLX-SJORKVTESA-N 1 3 349.479 0.818 20 0 ECADHO COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453576 768323648 /nfs/dbraw/zinc/32/36/48/768323648.db2.gz PEEYFQQKYDWJNM-HCBPCCMXSA-N 1 3 337.464 0.180 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001053355385 766021130 /nfs/dbraw/zinc/02/11/30/766021130.db2.gz GFPIAFXYEKFNCM-HUUCEWRRSA-N 1 3 326.485 0.489 20 0 ECADHO CC[C@H](CN1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1)OC ZINC001031677750 766438033 /nfs/dbraw/zinc/43/80/33/766438033.db2.gz XCEIAZNOQUPOKF-OAHLLOKOSA-N 1 3 337.468 0.531 20 0 ECADHO O=C(NCC1CN(CC2CC(F)(F)C2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688328 766467246 /nfs/dbraw/zinc/46/72/46/766467246.db2.gz CWYYFPOEXAAFRN-HUUCEWRRSA-N 1 3 343.418 0.943 20 0 ECADHO O=C(NCC1CN(CC2CC(F)(F)C2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688328 766467252 /nfs/dbraw/zinc/46/72/52/766467252.db2.gz CWYYFPOEXAAFRN-HUUCEWRRSA-N 1 3 343.418 0.943 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)NCc1ccco1 ZINC001127254354 766508532 /nfs/dbraw/zinc/50/85/32/766508532.db2.gz DOHRQCOFIQMRRK-HUUCEWRRSA-N 1 3 348.447 0.476 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)NCc1ccco1 ZINC001127254354 766508536 /nfs/dbraw/zinc/50/85/36/766508536.db2.gz DOHRQCOFIQMRRK-HUUCEWRRSA-N 1 3 348.447 0.476 20 0 ECADHO COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035277 766720182 /nfs/dbraw/zinc/72/01/82/766720182.db2.gz INQUNYOHWLFNNO-IAGOWNOFSA-N 1 3 338.496 0.192 20 0 ECADHO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035277 766720190 /nfs/dbraw/zinc/72/01/90/766720190.db2.gz INQUNYOHWLFNNO-IAGOWNOFSA-N 1 3 338.496 0.192 20 0 ECADHO COCC[N@@H+]1CC[C@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035755 766722334 /nfs/dbraw/zinc/72/23/34/766722334.db2.gz RZRDMIJNYROHLV-INIZCTEOSA-N 1 3 338.496 0.336 20 0 ECADHO COCC[N@H+]1CC[C@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035755 766722337 /nfs/dbraw/zinc/72/23/37/766722337.db2.gz RZRDMIJNYROHLV-INIZCTEOSA-N 1 3 338.496 0.336 20 0 ECADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC2)C1 ZINC001046047494 766777327 /nfs/dbraw/zinc/77/73/27/766777327.db2.gz RIRPFMNDNRJDLP-VIHIWDAPSA-N 1 3 348.491 0.088 20 0 ECADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC2)C1 ZINC001046047494 766777330 /nfs/dbraw/zinc/77/73/30/766777330.db2.gz RIRPFMNDNRJDLP-VIHIWDAPSA-N 1 3 348.491 0.088 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016798794 766948647 /nfs/dbraw/zinc/94/86/47/766948647.db2.gz DLABIGIKRXDSDH-CABCVRRESA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001046328567 767151746 /nfs/dbraw/zinc/15/17/46/767151746.db2.gz FYDAHUSUYQYFLD-QGPMSJSTSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001046328567 767151747 /nfs/dbraw/zinc/15/17/47/767151747.db2.gz FYDAHUSUYQYFLD-QGPMSJSTSA-N 1 3 333.480 0.883 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001017104388 767591490 /nfs/dbraw/zinc/59/14/90/767591490.db2.gz BESVTSCWJZQVDF-BCLQGDPASA-N 1 3 345.447 0.400 20 0 ECADHO CN(C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CCNC1=O ZINC001017163381 767669051 /nfs/dbraw/zinc/66/90/51/767669051.db2.gz ZCYXBEKHVVZTCX-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356878 768462242 /nfs/dbraw/zinc/46/22/42/768462242.db2.gz QRWLTVCLIKPAHM-HNNXBMFYSA-N 1 3 338.496 0.871 20 0 ECADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356878 768462250 /nfs/dbraw/zinc/46/22/50/768462250.db2.gz QRWLTVCLIKPAHM-HNNXBMFYSA-N 1 3 338.496 0.871 20 0 ECADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633571 768530943 /nfs/dbraw/zinc/53/09/43/768530943.db2.gz MYHZQLHRTQQHDF-BRWVUGGUSA-N 1 3 343.512 0.920 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666055 768578286 /nfs/dbraw/zinc/57/82/86/768578286.db2.gz GIAUQCOQJHDLDR-ARFHVFGLSA-N 1 3 338.496 0.491 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001106666700 768579458 /nfs/dbraw/zinc/57/94/58/768579458.db2.gz RBENLSIWLIOXNT-BZUAXINKSA-N 1 3 336.480 0.245 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106669027 768583995 /nfs/dbraw/zinc/58/39/95/768583995.db2.gz UWWOQWBIQORKAQ-HZPDHXFCSA-N 1 3 348.495 0.694 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001055372895 768825285 /nfs/dbraw/zinc/82/52/85/768825285.db2.gz OKFJSHPHTVVLKR-IYBDPMFKSA-N 1 3 338.496 0.585 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)CCC1 ZINC001055374391 768827837 /nfs/dbraw/zinc/82/78/37/768827837.db2.gz FYEDRLQKURSXSJ-GASCZTMLSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106783780 768951046 /nfs/dbraw/zinc/95/10/46/768951046.db2.gz WRSKZIIUROBQJN-HUUCEWRRSA-N 1 3 339.484 0.038 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC000993804379 769645573 /nfs/dbraw/zinc/64/55/73/769645573.db2.gz DFNYTNPSAUJORK-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC000993804379 769645577 /nfs/dbraw/zinc/64/55/77/769645577.db2.gz DFNYTNPSAUJORK-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000993813821 769667821 /nfs/dbraw/zinc/66/78/21/769667821.db2.gz FFSYCHIMUQPYQP-FVQBIDKESA-N 1 3 336.480 0.528 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000993813821 769667824 /nfs/dbraw/zinc/66/78/24/769667824.db2.gz FFSYCHIMUQPYQP-FVQBIDKESA-N 1 3 336.480 0.528 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001018880640 770181356 /nfs/dbraw/zinc/18/13/56/770181356.db2.gz UTZHIHGTCWJKBO-HZPDHXFCSA-N 1 3 348.491 0.482 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CCC2(CN(C(=O)CN3CCCC3)C2)C1)C1CC1 ZINC001019040421 770637686 /nfs/dbraw/zinc/63/76/86/770637686.db2.gz ARCUXDJPLWJFBI-KRWDZBQOSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)N1CCCCC1 ZINC001019241508 771049337 /nfs/dbraw/zinc/04/93/37/771049337.db2.gz CTSOXFVHHYVRDP-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001019343029 771185832 /nfs/dbraw/zinc/18/58/32/771185832.db2.gz UYVOMSUXACMCQL-HLLBOEOZSA-N 1 3 338.496 0.679 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001019397124 771247806 /nfs/dbraw/zinc/24/78/06/771247806.db2.gz JXJLGHKVEZGLPX-KKUMJFAQSA-N 1 3 345.509 0.342 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC[NH+](C)C ZINC001056487657 771326581 /nfs/dbraw/zinc/32/65/81/771326581.db2.gz CORNDDSZWXZUDO-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001078420507 782916957 /nfs/dbraw/zinc/91/69/57/782916957.db2.gz QTFJLZASKUEKGQ-JKSUJKDBSA-N 1 3 337.468 0.467 20 0 ECADHO Cn1cncc1CN[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001019496480 771364337 /nfs/dbraw/zinc/36/43/37/771364337.db2.gz VVIALLIXFQSTKN-HNNXBMFYSA-N 1 3 345.451 0.183 20 0 ECADHO CNC(=O)c1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001019774761 771783714 /nfs/dbraw/zinc/78/37/14/771783714.db2.gz HJVATBAEXIJXAV-KRWDZBQOSA-N 1 3 344.459 0.833 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CCCO2)cn1 ZINC001078460159 782987408 /nfs/dbraw/zinc/98/74/08/782987408.db2.gz MBNUWFZMUXALIU-QGZVFWFLSA-N 1 3 349.479 0.469 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC001020346131 772475550 /nfs/dbraw/zinc/47/55/50/772475550.db2.gz CDDUVNWSRIAYSU-DZKIICNBSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC001020346131 772475552 /nfs/dbraw/zinc/47/55/52/772475552.db2.gz CDDUVNWSRIAYSU-DZKIICNBSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)NC(=O)CCC[NH+](C)C ZINC001078473259 783020136 /nfs/dbraw/zinc/02/01/36/783020136.db2.gz VLRBLIAMNBBFBT-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cncn3)C[C@H]2C)CC1 ZINC001044794718 774618964 /nfs/dbraw/zinc/61/89/64/774618964.db2.gz YIZRJLBAOUHQQB-SJORKVTESA-N 1 3 348.495 0.979 20 0 ECADHO C[C@H]1C[C@H](NCc2nccn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044822470 774651168 /nfs/dbraw/zinc/65/11/68/774651168.db2.gz KMZFBTZRHPUVDD-LSDHHAIUSA-N 1 3 331.464 0.985 20 0 ECADHO CCn1nncc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044857608 774681063 /nfs/dbraw/zinc/68/10/63/774681063.db2.gz LRIVUBSPHBJKTE-LSDHHAIUSA-N 1 3 334.468 0.863 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001045067525 774925765 /nfs/dbraw/zinc/92/57/65/774925765.db2.gz OKNIXLVZWWOJDB-HOCLYGCPSA-N 1 3 334.468 0.719 20 0 ECADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001045070651 774930990 /nfs/dbraw/zinc/93/09/90/774930990.db2.gz PRAHEWAJLTZVEM-HOTGVXAUSA-N 1 3 346.479 0.830 20 0 ECADHO CC(C)c1nc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001045309042 775375571 /nfs/dbraw/zinc/37/55/71/775375571.db2.gz NCYUHNQZESKPRT-KBPBESRZSA-N 1 3 334.468 0.960 20 0 ECADHO CC(C)c1nc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001045309042 775375580 /nfs/dbraw/zinc/37/55/80/775375580.db2.gz NCYUHNQZESKPRT-KBPBESRZSA-N 1 3 334.468 0.960 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001079806955 776910614 /nfs/dbraw/zinc/91/06/14/776910614.db2.gz DRDLDOPEKKWJFE-UHFFFAOYSA-N 1 3 348.491 0.770 20 0 ECADHO CCN(C(=O)[C@H](C(C)C)N(C)C)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001079951955 777139349 /nfs/dbraw/zinc/13/93/49/777139349.db2.gz NKGHLUNZELLUNI-KRWDZBQOSA-N 1 3 340.512 0.974 20 0 ECADHO CCN(C(=O)[C@H](C(C)C)N(C)C)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079951955 777139353 /nfs/dbraw/zinc/13/93/53/777139353.db2.gz NKGHLUNZELLUNI-KRWDZBQOSA-N 1 3 340.512 0.974 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070076861 790525000 /nfs/dbraw/zinc/52/50/00/790525000.db2.gz YOAKAPIWWNNQSF-OAGGEKHMSA-N 1 3 332.452 0.371 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070076861 790525013 /nfs/dbraw/zinc/52/50/13/790525013.db2.gz YOAKAPIWWNNQSF-OAGGEKHMSA-N 1 3 332.452 0.371 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001080141232 777452205 /nfs/dbraw/zinc/45/22/05/777452205.db2.gz AYTGYKSGOCGDKH-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080141232 777452210 /nfs/dbraw/zinc/45/22/10/777452210.db2.gz AYTGYKSGOCGDKH-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001080192325 777532850 /nfs/dbraw/zinc/53/28/50/777532850.db2.gz NWXNSAGDRQBPCZ-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080192325 777532854 /nfs/dbraw/zinc/53/28/54/777532854.db2.gz NWXNSAGDRQBPCZ-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001080378961 777768739 /nfs/dbraw/zinc/76/87/39/777768739.db2.gz FJWNEBORJQYIIY-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001078481048 779954552 /nfs/dbraw/zinc/95/45/52/779954552.db2.gz JFGACIDMASGJGB-AWEZNQCLSA-N 1 3 328.501 0.927 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CCCO2)cn1 ZINC001078498866 780021870 /nfs/dbraw/zinc/02/18/70/780021870.db2.gz QPIZCZQOBCUQNH-DOTOQJQBSA-N 1 3 349.479 0.469 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CCCO2)cn1 ZINC001078498866 780021878 /nfs/dbraw/zinc/02/18/78/780021878.db2.gz QPIZCZQOBCUQNH-DOTOQJQBSA-N 1 3 349.479 0.469 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCCO2)cn1 ZINC001078508144 780047361 /nfs/dbraw/zinc/04/73/61/780047361.db2.gz LBTOEOWVQOHQKO-JKSUJKDBSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCCO2)cn1 ZINC001078508144 780047365 /nfs/dbraw/zinc/04/73/65/780047365.db2.gz LBTOEOWVQOHQKO-JKSUJKDBSA-N 1 3 335.452 0.079 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c1 ZINC001078820684 780536752 /nfs/dbraw/zinc/53/67/52/780536752.db2.gz YWBNTFNFDUHJMB-HZPDHXFCSA-N 1 3 344.459 0.864 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070208918 783660102 /nfs/dbraw/zinc/66/01/02/783660102.db2.gz DTQZEHBUZPRENR-IXDOHACOSA-N 1 3 346.479 0.760 20 0 ECADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001037935112 783713155 /nfs/dbraw/zinc/71/31/55/783713155.db2.gz PAIFPPUCBBILOX-DZGCQCFKSA-N 1 3 348.451 0.194 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070332469 783840357 /nfs/dbraw/zinc/84/03/57/783840357.db2.gz FWNMVFIHDFRLMJ-IKGGRYGDSA-N 1 3 346.479 0.904 20 0 ECADHO C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001071091703 784534649 /nfs/dbraw/zinc/53/46/49/784534649.db2.gz RFNSWUCQYJCMAS-VMGRFDJRSA-N 1 3 336.436 0.319 20 0 ECADHO C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001071104458 784542056 /nfs/dbraw/zinc/54/20/56/784542056.db2.gz YAXHHCMGQSEAIC-LESCRADOSA-N 1 3 339.480 0.449 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@]2(CCN(CCO)C2)O1 ZINC001071203483 784726741 /nfs/dbraw/zinc/72/67/41/784726741.db2.gz BMGZXKWYRQSAAJ-RHSMWYFYSA-N 1 3 325.453 0.012 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001070873544 784778060 /nfs/dbraw/zinc/77/80/60/784778060.db2.gz ONJMZKJFAMMCHF-NVXWUHKLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@]2(CCN(CCO)C2)O1 ZINC001071244676 784823299 /nfs/dbraw/zinc/82/32/99/784823299.db2.gz ZOMOIQZLEXVJIU-SJLPKXTDSA-N 1 3 339.480 0.547 20 0 ECADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001071415244 785063016 /nfs/dbraw/zinc/06/30/16/785063016.db2.gz CCMWVVGNFYWBSS-CYBMUJFWSA-N 1 3 333.436 0.401 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001072286540 785979679 /nfs/dbraw/zinc/97/96/79/785979679.db2.gz LPGRNICTYFTJLF-LSDHHAIUSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001072291128 785995228 /nfs/dbraw/zinc/99/52/28/785995228.db2.gz WVUPKOPXQCHXRW-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1NC(=O)CCC[NH+](C)C ZINC001072316859 786030424 /nfs/dbraw/zinc/03/04/24/786030424.db2.gz HIKRKWWGBYPUBB-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001072431753 786174376 /nfs/dbraw/zinc/17/43/76/786174376.db2.gz AFGJZJWQGWWOJA-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001072432427 786175421 /nfs/dbraw/zinc/17/54/21/786175421.db2.gz IZNSXCAYBNTJLK-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001072480273 786250894 /nfs/dbraw/zinc/25/08/94/786250894.db2.gz BRACODSMWUSIOP-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001072480273 786250896 /nfs/dbraw/zinc/25/08/96/786250896.db2.gz BRACODSMWUSIOP-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001073627450 786806615 /nfs/dbraw/zinc/80/66/15/786806615.db2.gz USKBPPOSSOXSCU-HOTGVXAUSA-N 1 3 327.469 0.450 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073627450 786806621 /nfs/dbraw/zinc/80/66/21/786806621.db2.gz USKBPPOSSOXSCU-HOTGVXAUSA-N 1 3 327.469 0.450 20 0 ECADHO COCCN1CCCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073652396 786877492 /nfs/dbraw/zinc/87/74/92/786877492.db2.gz YKJVJHHCEAOJDU-MRXNPFEDSA-N 1 3 339.480 0.716 20 0 ECADHO COC[C@H](C)N1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755989 787135136 /nfs/dbraw/zinc/13/51/36/787135136.db2.gz PMPDEFQQGXFFBS-GOEBONIOSA-N 1 3 327.469 0.570 20 0 ECADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001074655161 787517184 /nfs/dbraw/zinc/51/71/84/787517184.db2.gz UMLAUOASWAWVBE-XKQJLSEDSA-N 1 3 331.464 0.841 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001073978073 787626282 /nfs/dbraw/zinc/62/62/82/787626282.db2.gz YETFADSPDSMTEG-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001072623896 788455911 /nfs/dbraw/zinc/45/59/11/788455911.db2.gz FZBMKHCVLBYFOQ-SWLSCSKDSA-N 1 3 335.452 0.566 20 0 ECADHO C[C@@H](N[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C)C(N)=O ZINC001074884909 788486064 /nfs/dbraw/zinc/48/60/64/788486064.db2.gz NXSVXAHXVXDVEE-KEYYUXOJSA-N 1 3 346.475 0.857 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001072743087 788694363 /nfs/dbraw/zinc/69/43/63/788694363.db2.gz ZKAXAYFHTWUCND-HUUCEWRRSA-N 1 3 326.485 0.632 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001072743087 788694364 /nfs/dbraw/zinc/69/43/64/788694364.db2.gz ZKAXAYFHTWUCND-HUUCEWRRSA-N 1 3 326.485 0.632 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2)C1CC1 ZINC001072814433 788869992 /nfs/dbraw/zinc/86/99/92/788869992.db2.gz DRVJZMRXAGJXOY-INIZCTEOSA-N 1 3 331.464 0.758 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2)C1CC1 ZINC001072814433 788870002 /nfs/dbraw/zinc/87/00/02/788870002.db2.gz DRVJZMRXAGJXOY-INIZCTEOSA-N 1 3 331.464 0.758 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CCc1ccnn1C)C2)C1CCC1 ZINC001072815657 788874591 /nfs/dbraw/zinc/87/45/91/788874591.db2.gz AMTZDYRIEBHWRM-UHFFFAOYSA-N 1 3 345.491 0.981 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCc1ccnn1C)C2)C1CCC1 ZINC001072815657 788874603 /nfs/dbraw/zinc/87/46/03/788874603.db2.gz AMTZDYRIEBHWRM-UHFFFAOYSA-N 1 3 345.491 0.981 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001075087984 788882498 /nfs/dbraw/zinc/88/24/98/788882498.db2.gz FJSDTGGQGOIVIB-OCCSQVGLSA-N 1 3 335.452 0.708 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075106624 788914814 /nfs/dbraw/zinc/91/48/14/788914814.db2.gz FXAGCWOXKKNXOB-ZNMIVQPWSA-N 1 3 334.468 0.637 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075106624 788914821 /nfs/dbraw/zinc/91/48/21/788914821.db2.gz FXAGCWOXKKNXOB-ZNMIVQPWSA-N 1 3 334.468 0.637 20 0 ECADHO C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001075128653 788946158 /nfs/dbraw/zinc/94/61/58/788946158.db2.gz RWUNVBBSNMDDEH-HRCADAONSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001075156735 788996724 /nfs/dbraw/zinc/99/67/24/788996724.db2.gz ZELUHUBSFZXKJJ-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001075167188 789012193 /nfs/dbraw/zinc/01/21/93/789012193.db2.gz LGKDGGNURZYFNR-LDDOYCOJSA-N 1 3 338.496 0.535 20 0 ECADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1CNCc1cn(C)nn1 ZINC001075322270 789211057 /nfs/dbraw/zinc/21/10/57/789211057.db2.gz TVUWQIFQVFBGSC-GOEBONIOSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001072983039 789215574 /nfs/dbraw/zinc/21/55/74/789215574.db2.gz JOVPCTWZYROHSG-MRXNPFEDSA-N 1 3 348.491 0.485 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)C1 ZINC001072983039 789215583 /nfs/dbraw/zinc/21/55/83/789215583.db2.gz JOVPCTWZYROHSG-MRXNPFEDSA-N 1 3 348.491 0.485 20 0 ECADHO CCC1(NC(=O)CC[NH+](C)C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001069252890 789705427 /nfs/dbraw/zinc/70/54/27/789705427.db2.gz GKSAPUOUTVGFHA-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930503 790203334 /nfs/dbraw/zinc/20/33/34/790203334.db2.gz MYKGSUFRYXGFFS-DZUCGIPZSA-N 1 3 346.479 0.760 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930503 790203337 /nfs/dbraw/zinc/20/33/37/790203337.db2.gz MYKGSUFRYXGFFS-DZUCGIPZSA-N 1 3 346.479 0.760 20 0 ECADHO CCCNC(=O)CNCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456278 837441512 /nfs/dbraw/zinc/44/15/12/837441512.db2.gz RTULUHFJEQCCOU-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N[C@H](C)C2CC2)CC[N@@H+]1C ZINC001266706195 836174158 /nfs/dbraw/zinc/17/41/58/836174158.db2.gz GLUBLMFMJZFZIV-VNQPRFMTSA-N 1 3 338.496 0.679 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N[C@H](C)C2CC2)CC[N@H+]1C ZINC001266706195 836174164 /nfs/dbraw/zinc/17/41/64/836174164.db2.gz GLUBLMFMJZFZIV-VNQPRFMTSA-N 1 3 338.496 0.679 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC1CCCC1 ZINC001266718080 836193763 /nfs/dbraw/zinc/19/37/63/836193763.db2.gz AUUWMCYJEBPWAW-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC1CCCC1 ZINC001266718080 836193768 /nfs/dbraw/zinc/19/37/68/836193768.db2.gz AUUWMCYJEBPWAW-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CCCCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001266778216 836292767 /nfs/dbraw/zinc/29/27/67/836292767.db2.gz JTCRRKDSYSZNOG-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001266807192 836329360 /nfs/dbraw/zinc/32/93/60/836329360.db2.gz FUONVROEXUZMHO-HZPDHXFCSA-N 1 3 327.469 0.165 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001267058573 836695914 /nfs/dbraw/zinc/69/59/14/836695914.db2.gz SRUGUACFGLTYFE-DOTOQJQBSA-N 1 3 335.496 0.987 20 0 ECADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001408568685 836852750 /nfs/dbraw/zinc/85/27/50/836852750.db2.gz HIPWRWYVZMNDOW-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001408593987 837092045 /nfs/dbraw/zinc/09/20/45/837092045.db2.gz AJQXYWUVBMFLIX-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCN2CCOCCO)CC1 ZINC001267279785 837126719 /nfs/dbraw/zinc/12/67/19/837126719.db2.gz LDHDSPBOKHMACP-QGZVFWFLSA-N 1 3 341.496 0.696 20 0 ECADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(=O)[C@@H]1CCCN1C ZINC001408742477 838215784 /nfs/dbraw/zinc/21/57/84/838215784.db2.gz BLFRBVGAYFVRRX-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(=O)[C@@H]1CCCN1C ZINC001408742477 838215794 /nfs/dbraw/zinc/21/57/94/838215794.db2.gz BLFRBVGAYFVRRX-CVEARBPZSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(CCOCCO)C2)CC[N@@H+]1C ZINC001267770833 838518891 /nfs/dbraw/zinc/51/88/91/838518891.db2.gz SRRGKUWSGQDLJB-HRCADAONSA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(CCOCCO)C2)CC[N@H+]1C ZINC001267770833 838518895 /nfs/dbraw/zinc/51/88/95/838518895.db2.gz SRRGKUWSGQDLJB-HRCADAONSA-N 1 3 327.469 0.258 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001267894081 838706233 /nfs/dbraw/zinc/70/62/33/838706233.db2.gz STYOFYTUHRFKJF-CQSZACIVSA-N 1 3 348.451 0.196 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCNC(=O)NC(C)C)N(C)C ZINC001267963456 838875963 /nfs/dbraw/zinc/87/59/63/838875963.db2.gz OQIICMUZJSPWKU-CABCVRRESA-N 1 3 341.500 0.615 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000354694000 299098257 /nfs/dbraw/zinc/09/82/57/299098257.db2.gz PSRBTEOGBZHFOM-INIZCTEOSA-N 1 3 348.447 0.824 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354798921 299130794 /nfs/dbraw/zinc/13/07/94/299130794.db2.gz VGQPVCMCZMLYFU-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CCC1 ZINC000354799995 299131851 /nfs/dbraw/zinc/13/18/51/299131851.db2.gz WGZKVKRHRSSGBA-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425395482 210050435 /nfs/dbraw/zinc/05/04/35/210050435.db2.gz XUQCJHUIQAPJQK-YHUYYLMFSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425395482 210050439 /nfs/dbraw/zinc/05/04/39/210050439.db2.gz XUQCJHUIQAPJQK-YHUYYLMFSA-N 1 3 336.480 0.338 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425398007 210050450 /nfs/dbraw/zinc/05/04/50/210050450.db2.gz HGSIVTIATQCVSN-GOEBONIOSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425394238 210049012 /nfs/dbraw/zinc/04/90/12/210049012.db2.gz VZZQQAIOLNYSGD-JKSUJKDBSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425394238 210049017 /nfs/dbraw/zinc/04/90/17/210049017.db2.gz VZZQQAIOLNYSGD-JKSUJKDBSA-N 1 3 336.480 0.482 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000354950720 299169861 /nfs/dbraw/zinc/16/98/61/299169861.db2.gz WMSZBNNGKVTNDT-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000354950720 299169862 /nfs/dbraw/zinc/16/98/62/299169862.db2.gz WMSZBNNGKVTNDT-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000355070069 299195556 /nfs/dbraw/zinc/19/55/56/299195556.db2.gz YKKCNIAIPKTYCX-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000355070069 299195559 /nfs/dbraw/zinc/19/55/59/299195559.db2.gz YKKCNIAIPKTYCX-CABCVRRESA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419377712 295860372 /nfs/dbraw/zinc/86/03/72/295860372.db2.gz UIYJXHLZSVOYCJ-ZDUSSCGKSA-N 1 3 332.448 0.055 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000423571702 209766972 /nfs/dbraw/zinc/76/69/72/209766972.db2.gz WJQZOIAVTLUBNX-CQSZACIVSA-N 1 3 334.420 0.515 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410881897 283062688 /nfs/dbraw/zinc/06/26/88/283062688.db2.gz DCQNNAYFEITLSA-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410881897 283062690 /nfs/dbraw/zinc/06/26/90/283062690.db2.gz DCQNNAYFEITLSA-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000355273913 299228591 /nfs/dbraw/zinc/22/85/91/299228591.db2.gz CGIWCHROWMVLPG-CABCVRRESA-N 1 3 342.484 0.060 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000355278676 299229966 /nfs/dbraw/zinc/22/99/66/299229966.db2.gz LDMXPXANBVPBIO-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111819012 295904788 /nfs/dbraw/zinc/90/47/88/295904788.db2.gz FZSJGRCWURFBQZ-HNNXBMFYSA-N 1 3 326.485 0.864 20 0 ECADHO CN(C)[C@@H](CNC(=O)CN1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420392390 209360575 /nfs/dbraw/zinc/36/05/75/209360575.db2.gz PLNMHNXEWOUQBA-IRXDYDNUSA-N 1 3 334.464 0.455 20 0 ECADHO COC(=O)c1cccc(OCCN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000420293606 209349870 /nfs/dbraw/zinc/34/98/70/209349870.db2.gz NKDPWHDPHRFNJF-HNNXBMFYSA-N 1 3 349.431 0.639 20 0 ECADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420286872 209348344 /nfs/dbraw/zinc/34/83/44/209348344.db2.gz FWAXADHNQMNGEV-GJZGRUSLSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000420146249 209320104 /nfs/dbraw/zinc/32/01/04/209320104.db2.gz QLIPWIWKQLDELA-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000423224974 283601945 /nfs/dbraw/zinc/60/19/45/283601945.db2.gz KSYPLUODGICZAY-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420070604 209297323 /nfs/dbraw/zinc/29/73/23/209297323.db2.gz JXOVQIATHIJGLL-MRXNPFEDSA-N 1 3 338.496 0.955 20 0 ECADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000420016656 209277118 /nfs/dbraw/zinc/27/71/18/209277118.db2.gz SVDIILPHLJVCIW-CQSZACIVSA-N 1 3 342.484 0.047 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419997646 209272676 /nfs/dbraw/zinc/27/26/76/209272676.db2.gz KGPMICBTWSPIBO-XHSDSOJGSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419982106 209268720 /nfs/dbraw/zinc/26/87/20/209268720.db2.gz SRHQTUDPMYJADE-JKSUJKDBSA-N 1 3 336.480 0.579 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000419952009 209258193 /nfs/dbraw/zinc/25/81/93/209258193.db2.gz OCVZANOVJNRJBX-CYBMUJFWSA-N 1 3 340.493 0.610 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419942071 209255782 /nfs/dbraw/zinc/25/57/82/209255782.db2.gz YXYZBUNUEMCWMB-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000419935007 209253277 /nfs/dbraw/zinc/25/32/77/209253277.db2.gz RNCZVYNRUWSHSS-XIRDDKMYSA-N 1 3 346.475 0.991 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000419935007 209253280 /nfs/dbraw/zinc/25/32/80/209253280.db2.gz RNCZVYNRUWSHSS-XIRDDKMYSA-N 1 3 346.475 0.991 20 0 ECADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419915837 209248193 /nfs/dbraw/zinc/24/81/93/209248193.db2.gz PVSLWLRENQYLPX-JKSUJKDBSA-N 1 3 336.480 0.579 20 0 ECADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419908738 209246194 /nfs/dbraw/zinc/24/61/94/209246194.db2.gz FGMOVHGRBVUZAB-HOTGVXAUSA-N 1 3 336.480 0.579 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419845523 209223454 /nfs/dbraw/zinc/22/34/54/209223454.db2.gz PVEHCKWITMGDRL-OAHLLOKOSA-N 1 3 326.485 0.681 20 0 ECADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCN ZINC000419813135 209211575 /nfs/dbraw/zinc/21/15/75/209211575.db2.gz GHJRKEVBIVMWNM-INIZCTEOSA-N 1 3 332.448 0.432 20 0 ECADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCN ZINC000419813135 209211578 /nfs/dbraw/zinc/21/15/78/209211578.db2.gz GHJRKEVBIVMWNM-INIZCTEOSA-N 1 3 332.448 0.432 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419802204 209208587 /nfs/dbraw/zinc/20/85/87/209208587.db2.gz AMDOYELCWXUWLU-DLBZAZTESA-N 1 3 344.459 0.717 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419802204 209208590 /nfs/dbraw/zinc/20/85/90/209208590.db2.gz AMDOYELCWXUWLU-DLBZAZTESA-N 1 3 344.459 0.717 20 0 ECADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000419764424 209200431 /nfs/dbraw/zinc/20/04/31/209200431.db2.gz PIBFLWRGDMSONZ-DLBZAZTESA-N 1 3 344.459 0.491 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000419697220 209175152 /nfs/dbraw/zinc/17/51/52/209175152.db2.gz QJLPHXRHZGCJGT-HIFRSBDPSA-N 1 3 336.480 0.705 20 0 ECADHO N[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000419694759 209174327 /nfs/dbraw/zinc/17/43/27/209174327.db2.gz LITANXYGBYTXEO-RDJZCZTQSA-N 1 3 344.459 0.936 20 0 ECADHO N[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000419694759 209174333 /nfs/dbraw/zinc/17/43/33/209174333.db2.gz LITANXYGBYTXEO-RDJZCZTQSA-N 1 3 344.459 0.936 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419694492 209173545 /nfs/dbraw/zinc/17/35/45/209173545.db2.gz JOXPKYRFJPQZCQ-OAGGEKHMSA-N 1 3 338.496 0.727 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000419655314 209159485 /nfs/dbraw/zinc/15/94/85/209159485.db2.gz SQBXEZMDMRFODG-CJNGLKHVSA-N 1 3 336.480 0.611 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000419655314 209159489 /nfs/dbraw/zinc/15/94/89/209159489.db2.gz SQBXEZMDMRFODG-CJNGLKHVSA-N 1 3 336.480 0.611 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000419645769 209155508 /nfs/dbraw/zinc/15/55/08/209155508.db2.gz PZEZMGOARQLOPV-CVEARBPZSA-N 1 3 330.432 0.185 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419641028 209153247 /nfs/dbraw/zinc/15/32/47/209153247.db2.gz KTYWYEGMWQYGAL-CZUORRHYSA-N 1 3 332.448 0.560 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419577841 209131086 /nfs/dbraw/zinc/13/10/86/209131086.db2.gz FBUSIKIMHDKFRP-CZUORRHYSA-N 1 3 344.525 0.372 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000419585918 209133891 /nfs/dbraw/zinc/13/38/91/209133891.db2.gz NMVFGUVGGNCCQF-MLGOLLRUSA-N 1 3 342.509 0.126 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419589835 209132863 /nfs/dbraw/zinc/13/28/63/209132863.db2.gz SODPUPLSLXYTIO-SWLSCSKDSA-N 1 3 330.498 0.174 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419578033 209132312 /nfs/dbraw/zinc/13/23/12/209132312.db2.gz DQHGZCHALCSHIH-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO CCN(CCNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000419524495 209115585 /nfs/dbraw/zinc/11/55/85/209115585.db2.gz PUWDUNDPZDXHBW-UHFFFAOYSA-N 1 3 330.432 0.507 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000420004566 209274509 /nfs/dbraw/zinc/27/45/09/209274509.db2.gz ZFLIJLKRNHHCCA-CQSZACIVSA-N 1 3 326.485 0.810 20 0 ECADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000420016656 209277121 /nfs/dbraw/zinc/27/71/21/209277121.db2.gz SVDIILPHLJVCIW-CQSZACIVSA-N 1 3 342.484 0.047 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423139188 284610603 /nfs/dbraw/zinc/61/06/03/284610603.db2.gz ZDXFAYFIJJHSMA-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422176254 284659056 /nfs/dbraw/zinc/65/90/56/284659056.db2.gz BGPOTYCQVKFZOC-WLYUNCDWSA-N 1 3 326.485 0.822 20 0 ECADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3C[NH2+]CCCO3)cc2)CC1 ZINC000449712933 211294409 /nfs/dbraw/zinc/29/44/09/211294409.db2.gz VBPAPRQPUGPMGY-SFHVURJKSA-N 1 3 346.475 0.937 20 0 ECADHO CN(C)CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000092605153 218153285 /nfs/dbraw/zinc/15/32/85/218153285.db2.gz FYMJEBBHVYCBQN-UHFFFAOYSA-N 1 3 332.448 0.941 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000446258458 211136151 /nfs/dbraw/zinc/13/61/51/211136151.db2.gz LRQRLLNTERLYQD-RKVPGOIHSA-N 1 3 339.480 0.482 20 0 ECADHO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H](N2CCCC2)C1 ZINC000433371605 296306710 /nfs/dbraw/zinc/30/67/10/296306710.db2.gz BSOGCWCEZYOGEH-CABCVRRESA-N 1 3 332.452 0.903 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000411016654 208053604 /nfs/dbraw/zinc/05/36/04/208053604.db2.gz ARQVHRGDZXPGMJ-HZPDHXFCSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000411020585 208054590 /nfs/dbraw/zinc/05/45/90/208054590.db2.gz GOLLGMRDMBOFCH-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430651836 210395536 /nfs/dbraw/zinc/39/55/36/210395536.db2.gz MGZFPAXZQQEYFC-NVXWUHKLSA-N 1 3 346.475 0.820 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415494382 208535967 /nfs/dbraw/zinc/53/59/67/208535967.db2.gz MHDIAEIMSGUIBI-OAHLLOKOSA-N 1 3 332.448 0.940 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1Cc2ccccc2OC1=O ZINC000496223889 255082585 /nfs/dbraw/zinc/08/25/85/255082585.db2.gz FPSJMCKBXSGIJR-UHFFFAOYSA-N 1 3 348.447 0.953 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419174681 209011799 /nfs/dbraw/zinc/01/17/99/209011799.db2.gz WDISPDZMWODDAI-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419174353 209011959 /nfs/dbraw/zinc/01/19/59/209011959.db2.gz VIYRRONVILRKOB-BZUAXINKSA-N 1 3 338.496 0.727 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419176177 209013435 /nfs/dbraw/zinc/01/34/35/209013435.db2.gz YXGNOEKAXBPOMJ-YJBOKZPZSA-N 1 3 338.496 0.955 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419187637 209017669 /nfs/dbraw/zinc/01/76/69/209017669.db2.gz JFWBLFVCKXZDBN-UHFFFAOYSA-N 1 3 346.475 0.535 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])c1 ZINC000419216417 209029244 /nfs/dbraw/zinc/02/92/44/209029244.db2.gz PKZNHGQKRDWELB-UHFFFAOYSA-N 1 3 336.436 0.097 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419227516 209033966 /nfs/dbraw/zinc/03/39/66/209033966.db2.gz KQFMNODNKHVNSG-WBVHZDCISA-N 1 3 346.475 0.691 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419232352 209036125 /nfs/dbraw/zinc/03/61/25/209036125.db2.gz UONUHVJUJWSTMW-IXDOHACOSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000419412591 209087278 /nfs/dbraw/zinc/08/72/78/209087278.db2.gz RAMDIXYXWCWHLG-LVQVYYBASA-N 1 3 336.480 0.339 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)C1 ZINC000419370824 209070879 /nfs/dbraw/zinc/07/08/79/209070879.db2.gz KEUQBRXCZNEUMF-HZPDHXFCSA-N 1 3 338.496 0.679 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000103212341 296634774 /nfs/dbraw/zinc/63/47/74/296634774.db2.gz BKMDJBLSGLWLJX-INIZCTEOSA-N 1 3 338.496 0.587 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419967548 292473162 /nfs/dbraw/zinc/47/31/62/292473162.db2.gz OIGSWECMHWDVIF-OAHLLOKOSA-N 1 3 342.484 0.047 20 0 ECADHO COCCNCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188985683 165004553 /nfs/dbraw/zinc/00/45/53/165004553.db2.gz GQYHGLYNNHSEDI-SWLSCSKDSA-N 1 3 327.375 0.763 20 0 ECADHO CCN(CC)C(=O)[C@@H](C)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519252 165083480 /nfs/dbraw/zinc/08/34/80/165083480.db2.gz BSAUAWWHEUNTEA-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO CN(C/C=C\C[N@H+](C)CCN1CCOCC1)CCN1CCOCC1 ZINC000254943728 165210715 /nfs/dbraw/zinc/21/07/15/165210715.db2.gz OSZLTNHIGLCQFH-ARJAWSKDSA-N 1 3 340.512 0.071 20 0 ECADHO CN(C/C=C\C[N@@H+](C)CCN1CCOCC1)CCN1CCOCC1 ZINC000254943728 165210719 /nfs/dbraw/zinc/21/07/19/165210719.db2.gz OSZLTNHIGLCQFH-ARJAWSKDSA-N 1 3 340.512 0.071 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419407272 209084336 /nfs/dbraw/zinc/08/43/36/209084336.db2.gz JYOMPCVQBMRNBS-HUUCEWRRSA-N 1 3 326.485 0.666 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000166452199 226158343 /nfs/dbraw/zinc/15/83/43/226158343.db2.gz NCTHEKMFUUPNJY-MRXNPFEDSA-N 1 3 332.448 0.594 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCNC2=O)[C@H](C)C1 ZINC000190006305 263163543 /nfs/dbraw/zinc/16/35/43/263163543.db2.gz LDUDYSNSIAFWAY-KGLIPLIRSA-N 1 3 326.441 0.265 20 0 ECADHO CN(C)C1(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)Cc2ccccc2C1 ZINC000269941387 263214039 /nfs/dbraw/zinc/21/40/39/263214039.db2.gz WDNPCDJWSGUSGW-GOSISDBHSA-N 1 3 348.491 0.697 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000284534393 264224785 /nfs/dbraw/zinc/22/47/85/264224785.db2.gz BYPWGTXBJCBHAS-UHFFFAOYSA-N 1 3 346.475 0.919 20 0 ECADHO CN1CCC(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000284799253 264239332 /nfs/dbraw/zinc/23/93/32/264239332.db2.gz KXSHNUWCVVMPTG-UHFFFAOYSA-N 1 3 332.448 0.575 20 0 ECADHO CC(C)NS(=O)(=O)NCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298169228 265226342 /nfs/dbraw/zinc/22/63/42/265226342.db2.gz UAWQDKBVZUQUNA-UHFFFAOYSA-N 1 3 341.481 0.472 20 0 ECADHO CC(C)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N1CCc2ccccc2C1 ZINC000236668421 276018213 /nfs/dbraw/zinc/01/82/13/276018213.db2.gz NKLKNQMVDXKGQE-KURKYZTESA-N 1 3 331.460 0.908 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418834262 276242293 /nfs/dbraw/zinc/24/22/93/276242293.db2.gz XUBDDYHPTUWBMT-CQSZACIVSA-N 1 3 326.485 0.858 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)C(=O)N1c1ccccc1 ZINC000415099680 278026278 /nfs/dbraw/zinc/02/62/78/278026278.db2.gz GZFBVIFQYVYBMO-VYDXJSESSA-N 1 3 344.459 0.967 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000418865414 279161799 /nfs/dbraw/zinc/16/17/99/279161799.db2.gz RVGOPVWEMBTNQL-NVXWUHKLSA-N 1 3 346.475 0.993 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000419481343 279294159 /nfs/dbraw/zinc/29/41/59/279294159.db2.gz WZKZDXIHZKELOK-HLLBOEOZSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419481343 279294161 /nfs/dbraw/zinc/29/41/61/279294161.db2.gz WZKZDXIHZKELOK-HLLBOEOZSA-N 1 3 346.475 0.867 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N(C)C2CC[NH2+]CC2)CC1=O ZINC000262474803 279330477 /nfs/dbraw/zinc/33/04/77/279330477.db2.gz MOBWPBGKUWCMKT-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000130147060 279361365 /nfs/dbraw/zinc/36/13/65/279361365.db2.gz RWMFJUWKPOBOGW-SJORKVTESA-N 1 3 339.528 0.853 20 0 ECADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262115893 280086781 /nfs/dbraw/zinc/08/67/81/280086781.db2.gz VDHYEPWSQWWCDW-SJORKVTESA-N 1 3 336.480 0.136 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171777 288306807 /nfs/dbraw/zinc/30/68/07/288306807.db2.gz UOXIDEUPDWCZBF-ILXRZTDVSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423185946 289405485 /nfs/dbraw/zinc/40/54/85/289405485.db2.gz KGRLMDSMPDKUBP-FMKPAKJESA-N 1 3 338.496 0.618 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000423714575 289539043 /nfs/dbraw/zinc/53/90/43/289539043.db2.gz GKEOXSXYSZQWHG-HZPDHXFCSA-N 1 3 338.496 0.907 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000332440755 297041011 /nfs/dbraw/zinc/04/10/11/297041011.db2.gz AWQLEEFZOBGRQS-YMAMQOFZSA-N 1 3 337.468 0.204 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCN1C ZINC000332485712 297044167 /nfs/dbraw/zinc/04/41/67/297044167.db2.gz NQNZXMZVHOHMQO-QKPAOTATSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCN1C ZINC000332485712 297044168 /nfs/dbraw/zinc/04/41/68/297044168.db2.gz NQNZXMZVHOHMQO-QKPAOTATSA-N 1 3 336.480 0.528 20 0 ECADHO Cc1nc2cncc(N3CCN(C[C@H]4CC[NH2+][C@@H](C)C4)CC3)n2n1 ZINC000333183277 297116693 /nfs/dbraw/zinc/11/66/93/297116693.db2.gz QEZSOGSHVLXNHR-ZFWWWQNUSA-N 1 3 329.452 0.943 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2N)cn1 ZINC000333568948 297142504 /nfs/dbraw/zinc/14/25/04/297142504.db2.gz MDRNPVTXESQNHQ-LVQVYYBASA-N 1 3 334.468 0.729 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CC1CCN(C)CC1)C[NH+]1CCCC1 ZINC000340771943 297539232 /nfs/dbraw/zinc/53/92/32/297539232.db2.gz JAARGQVQFBCCOY-HNNXBMFYSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)C1)N(C)C ZINC000343190437 297841901 /nfs/dbraw/zinc/84/19/01/297841901.db2.gz BJMAGDAQMVGDPW-KLHDSHLOSA-N 1 3 340.512 0.925 20 0 ECADHO CS[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1N(C)C ZINC000343679344 297908348 /nfs/dbraw/zinc/90/83/48/297908348.db2.gz VNWAXKZVGVXNOA-JKSUJKDBSA-N 1 3 340.537 0.707 20 0 ECADHO CC(C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000435361064 298000812 /nfs/dbraw/zinc/00/08/12/298000812.db2.gz CWZHFSRINONQBO-HIFRSBDPSA-N 1 3 339.461 0.985 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C1=CC[N@H+](C)CC1 ZINC000346109795 298227921 /nfs/dbraw/zinc/22/79/21/298227921.db2.gz MTNGIEFOMUUHGH-KCQAQPDRSA-N 1 3 334.464 0.494 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000346109795 298227923 /nfs/dbraw/zinc/22/79/23/298227923.db2.gz MTNGIEFOMUUHGH-KCQAQPDRSA-N 1 3 334.464 0.494 20 0 ECADHO C[C@H](CN(C)C)NC(=O)c1ccoc1CC(=O)N[C@H](C)C[NH+](C)C ZINC000346235899 298242416 /nfs/dbraw/zinc/24/24/16/298242416.db2.gz YCRDAAYBGSRKLW-CHWSQXEVSA-N 1 3 338.452 0.568 20 0 ECADHO C[C@H](CN(C)C)NC(=O)Cc1occc1C(=O)N[C@H](C)C[NH+](C)C ZINC000346235899 298242421 /nfs/dbraw/zinc/24/24/21/298242421.db2.gz YCRDAAYBGSRKLW-CHWSQXEVSA-N 1 3 338.452 0.568 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000352015786 298870783 /nfs/dbraw/zinc/87/07/83/298870783.db2.gz SBNCZYZXQZPGDR-WBVHZDCISA-N 1 3 334.464 0.375 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000353447032 299049558 /nfs/dbraw/zinc/04/95/58/299049558.db2.gz KUSRYUHKZQUSQG-XQQFMLRXSA-N 1 3 336.402 0.893 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000353447032 299049560 /nfs/dbraw/zinc/04/95/60/299049560.db2.gz KUSRYUHKZQUSQG-XQQFMLRXSA-N 1 3 336.402 0.893 20 0 ECADHO CCC[N@@H+]1CCCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000360886697 300037398 /nfs/dbraw/zinc/03/73/98/300037398.db2.gz AAIPSHOZGRWDGO-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CCC[N@H+]1CCCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000360886697 300037401 /nfs/dbraw/zinc/03/74/01/300037401.db2.gz AAIPSHOZGRWDGO-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1)CN1CCN(C)CC1 ZINC000362027877 300155217 /nfs/dbraw/zinc/15/52/17/300155217.db2.gz ZLENKLSNFVRNBP-IKGGRYGDSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1)CN1CCN(C)CC1 ZINC000362027877 300155218 /nfs/dbraw/zinc/15/52/18/300155218.db2.gz ZLENKLSNFVRNBP-IKGGRYGDSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1)CN1CCN(C)CC1 ZINC000362027878 300155398 /nfs/dbraw/zinc/15/53/98/300155398.db2.gz ZLENKLSNFVRNBP-IXDOHACOSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1)CN1CCN(C)CC1 ZINC000362027878 300155401 /nfs/dbraw/zinc/15/54/01/300155401.db2.gz ZLENKLSNFVRNBP-IXDOHACOSA-N 1 3 337.512 0.606 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362565347 300199269 /nfs/dbraw/zinc/19/92/69/300199269.db2.gz BAZLWRQVQDBCGM-HUUCEWRRSA-N 1 3 348.495 0.490 20 0 ECADHO O=C(NCCCN1CC[NH2+]CC1)c1cnn(CCN2CCCCC2)c1 ZINC000363105374 300247185 /nfs/dbraw/zinc/24/71/85/300247185.db2.gz VEPMZARFSYPGPJ-UHFFFAOYSA-N 1 3 348.495 0.394 20 0 ECADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCc1ccncc1OCCN(C)C ZINC000418185840 300575526 /nfs/dbraw/zinc/57/55/26/300575526.db2.gz BMLPOCJJTXUBBQ-UKRRQHHQSA-N 1 3 335.452 0.962 20 0 ECADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000074096818 436105936 /nfs/dbraw/zinc/10/59/36/436105936.db2.gz GUKQUZSYFAQRPL-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000074096818 436105941 /nfs/dbraw/zinc/10/59/41/436105941.db2.gz GUKQUZSYFAQRPL-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1=O ZINC000074249887 436118189 /nfs/dbraw/zinc/11/81/89/436118189.db2.gz ALKVELCWMHXOKY-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CS(=O)(=O)C1(C(=O)NCCCN2CCCCCC2)CC[NH2+]CC1 ZINC000375827735 301214036 /nfs/dbraw/zinc/21/40/36/301214036.db2.gz ZQLNWBFOCHDZFX-UHFFFAOYSA-N 1 3 345.509 0.536 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)CC1=O ZINC000376022633 301228585 /nfs/dbraw/zinc/22/85/85/301228585.db2.gz UEFZNZQYFFNPNP-BZUAXINKSA-N 1 3 336.480 0.387 20 0 ECADHO CS(=O)(=O)C1(C(=O)NCC2([NH3+])CCCCCC2)CCNCC1 ZINC000377142608 301324685 /nfs/dbraw/zinc/32/46/85/301324685.db2.gz UTMBRYWIBGJRNE-UHFFFAOYSA-N 1 3 331.482 0.321 20 0 ECADHO CN(CCCN(C)[C@@H]1CCN(c2ccn(C)n2)C1=O)CC[NH+](C)C ZINC000377531217 301356493 /nfs/dbraw/zinc/35/64/93/301356493.db2.gz ULCZJABGCQZAIQ-OAHLLOKOSA-N 1 3 336.484 0.341 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000377582573 301361407 /nfs/dbraw/zinc/36/14/07/301361407.db2.gz GBSSXKVVDZHZBJ-LSDHHAIUSA-N 1 3 325.453 0.991 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(C(N)=O)c1 ZINC000077774829 436253509 /nfs/dbraw/zinc/25/35/09/436253509.db2.gz LAGNDASPKRSVGJ-UHFFFAOYSA-N 1 3 335.452 0.420 20 0 ECADHO C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCN1CCCC1)CC[NH2+]CC2 ZINC000517557124 301706586 /nfs/dbraw/zinc/70/65/86/301706586.db2.gz YPGKHAKHQHLMKA-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CNC2 ZINC000519826322 301762476 /nfs/dbraw/zinc/76/24/76/301762476.db2.gz QJJCPTDMIDZAFV-INIZCTEOSA-N 1 3 330.432 0.750 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCCn3ccnc3)CC2)CC1 ZINC000051674628 436493619 /nfs/dbraw/zinc/49/36/19/436493619.db2.gz IGNLQHUTJSEAFS-UHFFFAOYSA-N 1 3 334.468 0.741 20 0 ECADHO C[C@@H]1C(=O)NCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000106551025 436598141 /nfs/dbraw/zinc/59/81/41/436598141.db2.gz UEYBGUOBYAJZLS-CYBMUJFWSA-N 1 3 337.468 0.075 20 0 ECADHO CC(C)CN1C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000530880639 302033040 /nfs/dbraw/zinc/03/30/40/302033040.db2.gz IKGBFINWKUIRNA-HNNXBMFYSA-N 1 3 326.485 0.443 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000530881340 302033340 /nfs/dbraw/zinc/03/33/40/302033340.db2.gz UXXVAVCVUWWODC-UHFFFAOYSA-N 1 3 331.424 0.228 20 0 ECADHO CC(C)N1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000531425180 302053571 /nfs/dbraw/zinc/05/35/71/302053571.db2.gz SYKBOPFDGDRANB-CQSZACIVSA-N 1 3 327.473 0.131 20 0 ECADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCCN1CC[NH2+]CC1 ZINC000423201354 302127453 /nfs/dbraw/zinc/12/74/53/302127453.db2.gz IHWYOSGBCPFDNT-LJQANCHMSA-N 1 3 332.492 0.863 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000547297632 302254660 /nfs/dbraw/zinc/25/46/60/302254660.db2.gz FZRCRYKYOFRWLU-NVXWUHKLSA-N 1 3 326.485 0.863 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000550732365 302348842 /nfs/dbraw/zinc/34/88/42/302348842.db2.gz PJQMJFAYUNJTBS-INIZCTEOSA-N 1 3 334.464 0.426 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000137444365 436658016 /nfs/dbraw/zinc/65/80/16/436658016.db2.gz AABCFYPEXGUCHU-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000137444365 436658020 /nfs/dbraw/zinc/65/80/20/436658020.db2.gz AABCFYPEXGUCHU-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000269314413 436658698 /nfs/dbraw/zinc/65/86/98/436658698.db2.gz YQEQWNRXQDTEPF-MRXNPFEDSA-N 1 3 331.464 0.710 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)N1CCC(C)CC1 ZINC000552690120 302396148 /nfs/dbraw/zinc/39/61/48/302396148.db2.gz MKJLMMCPQOYNBC-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO C[NH2+]CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000237209245 436727266 /nfs/dbraw/zinc/72/72/66/436727266.db2.gz XLUNZEZDRMAVII-MRXNPFEDSA-N 1 3 331.464 0.662 20 0 ECADHO CCN1CCN(CCCCNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000121887465 436727526 /nfs/dbraw/zinc/72/75/26/436727526.db2.gz COWUWGZJVVBFMU-KRWDZBQOSA-N 1 3 343.516 0.016 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC2(C)CC[NH2+]CC2)CC1=O ZINC000248868791 436812446 /nfs/dbraw/zinc/81/24/46/436812446.db2.gz NXVVYPYVVWLMDA-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1noc(C)c1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000154838988 436785202 /nfs/dbraw/zinc/78/52/02/436785202.db2.gz OWZWRRKGCAWRNA-UHFFFAOYSA-N 1 3 325.457 0.969 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000155028992 436788453 /nfs/dbraw/zinc/78/84/53/436788453.db2.gz ZJLQQYWXXWHMLO-MRXNPFEDSA-N 1 3 326.485 0.585 20 0 ECADHO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2C2CCOCC2)CCOCC1 ZINC000155365667 436794718 /nfs/dbraw/zinc/79/47/18/436794718.db2.gz JPLRVQVVOKYERY-INIZCTEOSA-N 1 3 339.480 0.857 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)CN1CC[C@@](C)(C(N)=O)C1)c1ccccc1 ZINC000280854081 436927710 /nfs/dbraw/zinc/92/77/10/436927710.db2.gz YIAKWFHPFCUWMJ-CRAIPNDOSA-N 1 3 332.448 0.603 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1Cl ZINC000262443118 436933743 /nfs/dbraw/zinc/93/37/43/436933743.db2.gz TVMSVWRZVKRXNT-DGCLKSJQSA-N 1 3 327.812 0.942 20 0 ECADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262436684 436933950 /nfs/dbraw/zinc/93/39/50/436933950.db2.gz CHIHMCSPVGHPQA-IAGOWNOFSA-N 1 3 333.432 0.552 20 0 ECADHO OCCCN(CCO)Cc1ccc(C[N@H+](CCO)CCCO)cc1 ZINC000264625568 437056686 /nfs/dbraw/zinc/05/66/86/437056686.db2.gz PLKHURCMOIVUEN-UHFFFAOYSA-N 1 3 340.464 0.040 20 0 ECADHO OCCCN(CCO)Cc1ccc(C[N@@H+](CCO)CCCO)cc1 ZINC000264625568 437056689 /nfs/dbraw/zinc/05/66/89/437056689.db2.gz PLKHURCMOIVUEN-UHFFFAOYSA-N 1 3 340.464 0.040 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000331522419 437112459 /nfs/dbraw/zinc/11/24/59/437112459.db2.gz FDQXJCUAVHTQPZ-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000331522419 437112460 /nfs/dbraw/zinc/11/24/60/437112460.db2.gz FDQXJCUAVHTQPZ-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCCCC1 ZINC000419810586 303357251 /nfs/dbraw/zinc/35/72/51/303357251.db2.gz XKTOPHAVNNXRHU-OAHLLOKOSA-N 1 3 336.480 0.851 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccccc1=O ZINC000299713132 437104558 /nfs/dbraw/zinc/10/45/58/437104558.db2.gz JGISZBJKSQHSAH-INIZCTEOSA-N 1 3 334.464 0.723 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccccc1=O ZINC000299713132 437104561 /nfs/dbraw/zinc/10/45/61/437104561.db2.gz JGISZBJKSQHSAH-INIZCTEOSA-N 1 3 334.464 0.723 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331502134 437106795 /nfs/dbraw/zinc/10/67/95/437106795.db2.gz LCLPJWNMNYDUDO-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000175551848 437110432 /nfs/dbraw/zinc/11/04/32/437110432.db2.gz ZHKWFCRNEGXTCU-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000175551848 437110437 /nfs/dbraw/zinc/11/04/37/437110437.db2.gz ZHKWFCRNEGXTCU-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO NC[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000331871196 437173811 /nfs/dbraw/zinc/17/38/11/437173811.db2.gz MZDTWIRQGPBCNG-MRXNPFEDSA-N 1 3 336.480 0.849 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331987120 437191345 /nfs/dbraw/zinc/19/13/45/437191345.db2.gz UDBUCYPSGFRJLH-ZJIFWQFVSA-N 1 3 336.480 0.563 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331852914 437169163 /nfs/dbraw/zinc/16/91/63/437169163.db2.gz OTQKSVIBNLVZQB-SOUVJXGZSA-N 1 3 337.468 0.062 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000332546101 437230076 /nfs/dbraw/zinc/23/00/76/437230076.db2.gz GKOMONFMFLZRMK-SLTXQBBLSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000332553035 437230138 /nfs/dbraw/zinc/23/01/38/437230138.db2.gz KTHJUEKEVBWBGS-LVQVYYBASA-N 1 3 336.480 0.671 20 0 ECADHO CN1CCN(CCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000277711742 437247734 /nfs/dbraw/zinc/24/77/34/437247734.db2.gz WORQEJVTVAHQLD-RCCFBDPRSA-N 1 3 346.475 0.204 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nncn2C1 ZINC000339655626 437485127 /nfs/dbraw/zinc/48/51/27/437485127.db2.gz RLFSTLKVOONBPU-JKSUJKDBSA-N 1 3 348.495 0.715 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nncn2C1 ZINC000339655626 437485130 /nfs/dbraw/zinc/48/51/30/437485130.db2.gz RLFSTLKVOONBPU-JKSUJKDBSA-N 1 3 348.495 0.715 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](CN)OC)cc1 ZINC000289983447 437455132 /nfs/dbraw/zinc/45/51/32/437455132.db2.gz OEWUBYZKWFBTIY-HNNXBMFYSA-N 1 3 336.436 0.670 20 0 ECADHO CN(C)c1ccncc1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000354003341 437501003 /nfs/dbraw/zinc/50/10/03/437501003.db2.gz RWMUAGSPKJIKFA-UHFFFAOYSA-N 1 3 349.479 0.268 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000354108425 437533005 /nfs/dbraw/zinc/53/30/05/437533005.db2.gz VQVXJSXCJRMSCY-HNNXBMFYSA-N 1 3 338.452 0.017 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC)CC2)C1 ZINC000339672807 437490220 /nfs/dbraw/zinc/49/02/20/437490220.db2.gz VCCGTUNEMXYQHY-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC)CC2)C1 ZINC000339672807 437490225 /nfs/dbraw/zinc/49/02/25/437490225.db2.gz VCCGTUNEMXYQHY-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343695794 437629905 /nfs/dbraw/zinc/62/99/05/437629905.db2.gz QRAYBASYCCEMSC-IAGOWNOFSA-N 1 3 336.480 0.136 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CN(C)CCN2C)[C@@H](C)C1 ZINC000361342927 437660721 /nfs/dbraw/zinc/66/07/21/437660721.db2.gz YUWZHUPDIKOPEL-BZSNNMDCSA-N 1 3 326.529 0.959 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CN(C)CCN2C)[C@@H](C)C1 ZINC000361342927 437660725 /nfs/dbraw/zinc/66/07/25/437660725.db2.gz YUWZHUPDIKOPEL-BZSNNMDCSA-N 1 3 326.529 0.959 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2CN(C)CCN2C)[C@@H](C)C1 ZINC000361342927 437660729 /nfs/dbraw/zinc/66/07/29/437660729.db2.gz YUWZHUPDIKOPEL-BZSNNMDCSA-N 1 3 326.529 0.959 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340482894 437663513 /nfs/dbraw/zinc/66/35/13/437663513.db2.gz GGSYFQFPDYOQMS-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340482894 437663517 /nfs/dbraw/zinc/66/35/17/437663517.db2.gz GGSYFQFPDYOQMS-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000343837224 437670878 /nfs/dbraw/zinc/67/08/78/437670878.db2.gz SAKSKEZMUMGZNB-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000340509000 437676257 /nfs/dbraw/zinc/67/62/57/437676257.db2.gz CUHYQHJXKHOTHG-NVXWUHKLSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000340509000 437676262 /nfs/dbraw/zinc/67/62/62/437676262.db2.gz CUHYQHJXKHOTHG-NVXWUHKLSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340509479 437677483 /nfs/dbraw/zinc/67/74/83/437677483.db2.gz RBQDTVZYLAWVBB-OAHLLOKOSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340509479 437677485 /nfs/dbraw/zinc/67/74/85/437677485.db2.gz RBQDTVZYLAWVBB-OAHLLOKOSA-N 1 3 338.496 0.633 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000340513271 437679239 /nfs/dbraw/zinc/67/92/39/437679239.db2.gz XQHHQAGHGCCMRG-DOTOQJQBSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000340513271 437679244 /nfs/dbraw/zinc/67/92/44/437679244.db2.gz XQHHQAGHGCCMRG-DOTOQJQBSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000423582840 437768969 /nfs/dbraw/zinc/76/89/69/437768969.db2.gz BCSOPSMDMVSUJI-LSDHHAIUSA-N 1 3 326.485 0.759 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423619582 437782068 /nfs/dbraw/zinc/78/20/68/437782068.db2.gz YTBOEQNMBAFXEY-CQSZACIVSA-N 1 3 338.477 0.588 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)ccc1OCCN(C)C ZINC000415349041 437788676 /nfs/dbraw/zinc/78/86/76/437788676.db2.gz CJSDMYOHZRPILK-CQSZACIVSA-N 1 3 348.447 0.681 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c2)CC1 ZINC000415358721 437790052 /nfs/dbraw/zinc/79/00/52/437790052.db2.gz JNQAEMRQAJWQDO-AWEZNQCLSA-N 1 3 347.463 0.621 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000423666914 437796870 /nfs/dbraw/zinc/79/68/70/437796870.db2.gz NFCOBZBPUVIISS-KRWDZBQOSA-N 1 3 346.475 0.774 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000423666914 437796873 /nfs/dbraw/zinc/79/68/73/437796873.db2.gz NFCOBZBPUVIISS-KRWDZBQOSA-N 1 3 346.475 0.774 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)CC1 ZINC000423667265 437798133 /nfs/dbraw/zinc/79/81/33/437798133.db2.gz NHAIBLZMZDOVJF-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])c(OCCN(C)C)c1 ZINC000415461352 437806024 /nfs/dbraw/zinc/80/60/24/437806024.db2.gz CMLXTRBCCRPPEJ-UHFFFAOYSA-N 1 3 336.436 0.727 20 0 ECADHO COCCN1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000341173938 437807652 /nfs/dbraw/zinc/80/76/52/437807652.db2.gz WOLPIKBBZDXYQV-HZPDHXFCSA-N 1 3 342.484 0.459 20 0 ECADHO CN(C)CCN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CCCC1 ZINC000423709771 437808375 /nfs/dbraw/zinc/80/83/75/437808375.db2.gz JCIKOIGVMFIMCB-CQSZACIVSA-N 1 3 334.468 0.977 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000371046525 437874943 /nfs/dbraw/zinc/87/49/43/437874943.db2.gz XIJXEXOEAPXJGI-MRXNPFEDSA-N 1 3 326.485 0.938 20 0 ECADHO COCCOc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347134456 437838068 /nfs/dbraw/zinc/83/80/68/437838068.db2.gz RZPPPLGFHOBCGE-INIZCTEOSA-N 1 3 335.448 0.999 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415770897 437857013 /nfs/dbraw/zinc/85/70/13/437857013.db2.gz ZEGGGVCKYFZIDB-JKSUJKDBSA-N 1 3 344.459 0.797 20 0 ECADHO C[C@H]1[C@H](NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCCN1C ZINC000415952212 437881858 /nfs/dbraw/zinc/88/18/58/437881858.db2.gz KJKUJKUAOALIFN-GXTWGEPZSA-N 1 3 333.440 0.490 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)COC[C@@H]3CCOC3)CC2)CC1 ZINC000365328231 437894680 /nfs/dbraw/zinc/89/46/80/437894680.db2.gz TWDKLTBNHCRHCE-OAHLLOKOSA-N 1 3 339.480 0.714 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C1CC1 ZINC000341992402 437934471 /nfs/dbraw/zinc/93/44/71/437934471.db2.gz IYDLYSMOOPNRBL-STQMWFEESA-N 1 3 326.485 0.678 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347543074 437906883 /nfs/dbraw/zinc/90/68/83/437906883.db2.gz XXRGWLGEQMASOY-QGZVFWFLSA-N 1 3 344.459 0.962 20 0 ECADHO CC1CC[NH+](CCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424457381 437944085 /nfs/dbraw/zinc/94/40/85/437944085.db2.gz ZIELTDHAXBOEKO-DLBZAZTESA-N 1 3 348.495 0.978 20 0 ECADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424493616 437957970 /nfs/dbraw/zinc/95/79/70/437957970.db2.gz LCZPCCLSVBQKLX-YESZJQIVSA-N 1 3 342.443 0.279 20 0 ECADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000357307917 437962848 /nfs/dbraw/zinc/96/28/48/437962848.db2.gz ODSAIXBKLZTWJL-ROUUACIJSA-N 1 3 346.475 0.804 20 0 ECADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000357307917 437962853 /nfs/dbraw/zinc/96/28/53/437962853.db2.gz ODSAIXBKLZTWJL-ROUUACIJSA-N 1 3 346.475 0.804 20 0 ECADHO [NH3+][C@@H](CNC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000417365914 438044851 /nfs/dbraw/zinc/04/48/51/438044851.db2.gz JWYNNMCMNBNJQT-KRWDZBQOSA-N 1 3 346.479 0.630 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417429264 438048683 /nfs/dbraw/zinc/04/86/83/438048683.db2.gz MSBMTINGAXPDDH-HUUCEWRRSA-N 1 3 341.500 0.746 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417429583 438049710 /nfs/dbraw/zinc/04/97/10/438049710.db2.gz NHQCPAXRWYRUIJ-GJZGRUSLSA-N 1 3 339.484 0.452 20 0 ECADHO CN(C)[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416798267 437994001 /nfs/dbraw/zinc/99/40/01/437994001.db2.gz BVWPLNGWQFRJJZ-MSOLQXFVSA-N 1 3 345.491 0.978 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000416986512 438010085 /nfs/dbraw/zinc/01/00/85/438010085.db2.gz ZTHGYZJRERTPCZ-OAHLLOKOSA-N 1 3 325.501 0.844 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000416980489 438010932 /nfs/dbraw/zinc/01/09/32/438010932.db2.gz UJXDOUOACWJAJH-LSDHHAIUSA-N 1 3 325.501 0.829 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NCCN(C)C2CC2)([NH+](C)C)C1 ZINC000342987073 438099157 /nfs/dbraw/zinc/09/91/57/438099157.db2.gz DSPCJOVGRNAYFV-KDOFPFPSSA-N 1 3 338.496 0.824 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000417616837 438062901 /nfs/dbraw/zinc/06/29/01/438062901.db2.gz ZNZOQNRUKKHROD-OAHLLOKOSA-N 1 3 337.472 0.815 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000417616837 438062905 /nfs/dbraw/zinc/06/29/05/438062905.db2.gz ZNZOQNRUKKHROD-OAHLLOKOSA-N 1 3 337.472 0.815 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000417761444 438075936 /nfs/dbraw/zinc/07/59/36/438075936.db2.gz ZBRGYXIUQQPJBL-INIZCTEOSA-N 1 3 337.512 0.869 20 0 ECADHO O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)NC1CC[NH2+]CC1 ZINC000418308784 438129293 /nfs/dbraw/zinc/12/92/93/438129293.db2.gz MYOBAODPPXLHKS-SFHVURJKSA-N 1 3 332.448 0.675 20 0 ECADHO O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCC[NH2+]C1 ZINC000418373820 438138666 /nfs/dbraw/zinc/13/86/66/438138666.db2.gz CAEGKVOUWSZVJP-FUHWJXTLSA-N 1 3 332.448 0.675 20 0 ECADHO [NH3+]C[C@@H](NC(=O)NCC(=O)NCCN1CCCCCC1)C1CC1 ZINC000418390561 438139056 /nfs/dbraw/zinc/13/90/56/438139056.db2.gz BEWYTOLXIKGORU-CQSZACIVSA-N 1 3 325.457 0.015 20 0 ECADHO CC(C)([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418427693 438142536 /nfs/dbraw/zinc/14/25/36/438142536.db2.gz LKNLSEHUEQMYRA-HZPDHXFCSA-N 1 3 334.464 0.906 20 0 ECADHO C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CN3CCN2CCC3)ccn1 ZINC000367271329 438190637 /nfs/dbraw/zinc/19/06/37/438190637.db2.gz RKUAPXCXAIKJIM-INIZCTEOSA-N 1 3 347.463 0.028 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000418686260 438174278 /nfs/dbraw/zinc/17/42/78/438174278.db2.gz OFKMQUSGOWBQDH-JYJNAYRXSA-N 1 3 326.485 0.898 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418849127 438214821 /nfs/dbraw/zinc/21/48/21/438214821.db2.gz CPYKKLCIUCLFAV-SJORKVTESA-N 1 3 346.475 0.486 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)Cc1ccccc1 ZINC000418850442 438215999 /nfs/dbraw/zinc/21/59/99/438215999.db2.gz NWZINSGNBPCFID-QGZVFWFLSA-N 1 3 344.459 0.311 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418849803 438216139 /nfs/dbraw/zinc/21/61/39/438216139.db2.gz DJVJTRIZUCOMCR-HZPDHXFCSA-N 1 3 332.448 0.144 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])c1ccccc1 ZINC000418859806 438221663 /nfs/dbraw/zinc/22/16/63/438221663.db2.gz KZTFEOZKBKLQHM-ZBFHGGJFSA-N 1 3 334.464 0.897 20 0 ECADHO Cc1ccc(NCCCNC(=O)CCCN2CCC([NH3+])CC2)nc1 ZINC000433129005 438225316 /nfs/dbraw/zinc/22/53/16/438225316.db2.gz YBPRQTNWDSLVBP-UHFFFAOYSA-N 1 3 333.480 1.512 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000418877562 438232682 /nfs/dbraw/zinc/23/26/82/438232682.db2.gz PEBNJQYPWQBCSM-DLBZAZTESA-N 1 3 344.459 0.540 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418883166 438235458 /nfs/dbraw/zinc/23/54/58/438235458.db2.gz ZZLYLEYPAQGHNB-ZBFHGGJFSA-N 1 3 334.464 0.247 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418885234 438236149 /nfs/dbraw/zinc/23/61/49/438236149.db2.gz YGEZVVRQUSWCTK-GJZGRUSLSA-N 1 3 342.484 0.093 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418811804 438197514 /nfs/dbraw/zinc/19/75/14/438197514.db2.gz IIKNCPZDLPGOCB-SFHVURJKSA-N 1 3 332.448 0.493 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418829274 438204096 /nfs/dbraw/zinc/20/40/96/438204096.db2.gz DJSNLMLTJYNUMI-IKGGRYGDSA-N 1 3 346.475 0.519 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418842328 438210685 /nfs/dbraw/zinc/21/06/85/438210685.db2.gz BJSKQIZJEADBIS-SJORKVTESA-N 1 3 348.491 0.765 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)COCC(F)(F)F ZINC000432780884 438211091 /nfs/dbraw/zinc/21/10/91/438211091.db2.gz JDOVQDPIXMUQHP-AWEZNQCLSA-N 1 3 341.418 0.884 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)COCC(F)(F)F ZINC000432780884 438211095 /nfs/dbraw/zinc/21/10/95/438211095.db2.gz JDOVQDPIXMUQHP-AWEZNQCLSA-N 1 3 341.418 0.884 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000418962643 438265494 /nfs/dbraw/zinc/26/54/94/438265494.db2.gz KZVYRNZNGDKCKP-GOEBONIOSA-N 1 3 332.448 0.491 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000418991110 438275882 /nfs/dbraw/zinc/27/58/82/438275882.db2.gz DNSCJLNJNFTCKN-JKSUJKDBSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419029221 438296439 /nfs/dbraw/zinc/29/64/39/438296439.db2.gz RHFRDSGCVBBGLX-QKPAOTATSA-N 1 3 338.496 0.585 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000351558721 438289035 /nfs/dbraw/zinc/28/90/35/438289035.db2.gz SGFFAMVPLGIACD-JKSUJKDBSA-N 1 3 330.432 0.245 20 0 ECADHO COCCN(CCN(C)C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433447905 438249727 /nfs/dbraw/zinc/24/97/27/438249727.db2.gz RNUDLIXJWVQXGH-MRXNPFEDSA-N 1 3 344.500 0.707 20 0 ECADHO COCCN(CCN(C)C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433447905 438249729 /nfs/dbraw/zinc/24/97/29/438249729.db2.gz RNUDLIXJWVQXGH-MRXNPFEDSA-N 1 3 344.500 0.707 20 0 ECADHO CN(CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CC1 ZINC000419113586 438326408 /nfs/dbraw/zinc/32/64/08/438326408.db2.gz WONHHJLXKLXIOB-JKSUJKDBSA-N 1 3 330.432 0.150 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000419122323 438332080 /nfs/dbraw/zinc/33/20/80/438332080.db2.gz SYTWMULQMIXUIA-HNNXBMFYSA-N 1 3 326.485 0.857 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC000351762827 438335144 /nfs/dbraw/zinc/33/51/44/438335144.db2.gz NRXHQUSZTSSBCV-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000368183316 438298377 /nfs/dbraw/zinc/29/83/77/438298377.db2.gz HESJWHANEKNGAL-CAOSSQGBSA-N 1 3 334.464 0.140 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000368290969 438311135 /nfs/dbraw/zinc/31/11/35/438311135.db2.gz QHEWKBVBBGAIHS-QGZVFWFLSA-N 1 3 328.476 0.953 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368290969 438311138 /nfs/dbraw/zinc/31/11/38/438311138.db2.gz QHEWKBVBBGAIHS-QGZVFWFLSA-N 1 3 328.476 0.953 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419072534 438311656 /nfs/dbraw/zinc/31/16/56/438311656.db2.gz BIRFEGGQTMQJGV-HRCADAONSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419076969 438313374 /nfs/dbraw/zinc/31/33/74/438313374.db2.gz IJTGQBCBPIKICD-CVEARBPZSA-N 1 3 338.496 0.955 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419078247 438314024 /nfs/dbraw/zinc/31/40/24/438314024.db2.gz KSULSDREDLKMBR-MRXNPFEDSA-N 1 3 336.480 0.793 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000420143693 438390596 /nfs/dbraw/zinc/39/05/96/438390596.db2.gz KCTPVXGRWUPNFL-RRFJBIMHSA-N 1 3 326.485 0.809 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000420143693 438390602 /nfs/dbraw/zinc/39/06/02/438390602.db2.gz KCTPVXGRWUPNFL-RRFJBIMHSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000419145880 438346916 /nfs/dbraw/zinc/34/69/16/438346916.db2.gz ASXCNCUCWGVEFL-HUUCEWRRSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000419145880 438346921 /nfs/dbraw/zinc/34/69/21/438346921.db2.gz ASXCNCUCWGVEFL-HUUCEWRRSA-N 1 3 326.485 0.713 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419230725 438351101 /nfs/dbraw/zinc/35/11/01/438351101.db2.gz QJMJLTLOBHSFQS-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419365076 438355279 /nfs/dbraw/zinc/35/52/79/438355279.db2.gz FMROITRPRLARMJ-INIZCTEOSA-N 1 3 344.459 0.022 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420220169 438394334 /nfs/dbraw/zinc/39/43/34/438394334.db2.gz XYVFNOBKWQSNBH-ARFHVFGLSA-N 1 3 338.496 0.537 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000419968060 438379367 /nfs/dbraw/zinc/37/93/67/438379367.db2.gz CVHZIUUPVNSDNW-HOTGVXAUSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419967647 438379482 /nfs/dbraw/zinc/37/94/82/438379482.db2.gz BMWILXAWJVATDR-OAHLLOKOSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000352097102 438380873 /nfs/dbraw/zinc/38/08/73/438380873.db2.gz NFABNRPFBFYSQD-HOCLYGCPSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000352097102 438380881 /nfs/dbraw/zinc/38/08/81/438380881.db2.gz NFABNRPFBFYSQD-HOCLYGCPSA-N 1 3 326.485 0.714 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038611 438383387 /nfs/dbraw/zinc/38/33/87/438383387.db2.gz NCWSOXHAJREGGV-BFHYXJOUSA-N 1 3 340.468 0.157 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038611 438383392 /nfs/dbraw/zinc/38/33/92/438383392.db2.gz NCWSOXHAJREGGV-BFHYXJOUSA-N 1 3 340.468 0.157 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000420031638 438383785 /nfs/dbraw/zinc/38/37/85/438383785.db2.gz HKXWPKDCFDDWRS-JSGCOSHPSA-N 1 3 340.468 0.016 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000420058753 438386874 /nfs/dbraw/zinc/38/68/74/438386874.db2.gz IWESGTTWZVAYQW-QGZVFWFLSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CC[NH2+]1 ZINC000420115419 438387522 /nfs/dbraw/zinc/38/75/22/438387522.db2.gz GPQZRYVFKMYZFQ-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1C ZINC000359450894 438438400 /nfs/dbraw/zinc/43/84/00/438438400.db2.gz ZCUCFJPHAFOHFU-LBDPXKHJSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000420784749 438439548 /nfs/dbraw/zinc/43/95/48/438439548.db2.gz BWWLCIYBMKDYPR-INIZCTEOSA-N 1 3 338.496 0.917 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000420790699 438440074 /nfs/dbraw/zinc/44/00/74/438440074.db2.gz GYPJDKQKWOAKFY-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000359475293 438443140 /nfs/dbraw/zinc/44/31/40/438443140.db2.gz RPJXCBBVOSYKBA-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000359475293 438443143 /nfs/dbraw/zinc/44/31/43/438443143.db2.gz RPJXCBBVOSYKBA-HNNXBMFYSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)C(=O)N1CCCCC1 ZINC000420336391 438399202 /nfs/dbraw/zinc/39/92/02/438399202.db2.gz MGFWNPHQPAFGQH-OAGGEKHMSA-N 1 3 336.480 0.435 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN(CC)C2CC2)C1 ZINC000359276651 438400317 /nfs/dbraw/zinc/40/03/17/438400317.db2.gz QRHGSGUPYODRHF-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN(CC)C2CC2)C1 ZINC000359276651 438400322 /nfs/dbraw/zinc/40/03/22/438400322.db2.gz QRHGSGUPYODRHF-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CC1 ZINC000359284232 438402658 /nfs/dbraw/zinc/40/26/58/438402658.db2.gz ZKQBXQYYEOYORK-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CC1 ZINC000359284232 438402660 /nfs/dbraw/zinc/40/26/60/438402660.db2.gz ZKQBXQYYEOYORK-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000422117161 438523079 /nfs/dbraw/zinc/52/30/79/438523079.db2.gz OUEXFMSMCYGBQN-MAUKXSAKSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000422117161 438523083 /nfs/dbraw/zinc/52/30/83/438523083.db2.gz OUEXFMSMCYGBQN-MAUKXSAKSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000422121927 438523759 /nfs/dbraw/zinc/52/37/59/438523759.db2.gz VWENYUQKPNQVRW-JYJNAYRXSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000422121927 438523762 /nfs/dbraw/zinc/52/37/62/438523762.db2.gz VWENYUQKPNQVRW-JYJNAYRXSA-N 1 3 336.480 0.482 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000422457543 438574103 /nfs/dbraw/zinc/57/41/03/438574103.db2.gz SYVBCEMQWBLRPE-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000422457543 438574105 /nfs/dbraw/zinc/57/41/05/438574105.db2.gz SYVBCEMQWBLRPE-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422488558 438579466 /nfs/dbraw/zinc/57/94/66/438579466.db2.gz KHEVQPDKRHQFGZ-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422488558 438579468 /nfs/dbraw/zinc/57/94/68/438579468.db2.gz KHEVQPDKRHQFGZ-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C)[NH+]1CCCCC1 ZINC000422382633 438561123 /nfs/dbraw/zinc/56/11/23/438561123.db2.gz PDEPUXAJYVIGOU-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@@H](C)[C@H](N(C)C)C1)C(C)C ZINC000410677350 438627755 /nfs/dbraw/zinc/62/77/55/438627755.db2.gz RHCRZAXACPVDSK-HZPDHXFCSA-N 1 3 340.512 0.972 20 0 ECADHO CC(C)C[C@H]([NH2+][C@H](C)C[C@@H]1COCCN1)C(=O)NCCN(C)C ZINC000423024999 438629046 /nfs/dbraw/zinc/62/90/46/438629046.db2.gz KONBAXHOJPMAHB-OAGGEKHMSA-N 1 3 328.501 0.436 20 0 ECADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423096400 438637209 /nfs/dbraw/zinc/63/72/09/438637209.db2.gz OTTIBFLMZBKBHI-CQSZACIVSA-N 1 3 336.411 0.276 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC[C@@H](CC[NH3+])C2)C1 ZINC000443069737 438639705 /nfs/dbraw/zinc/63/97/05/438639705.db2.gz KJXYUNIBUYVAGC-DLBZAZTESA-N 1 3 340.512 0.520 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000423171562 438644994 /nfs/dbraw/zinc/64/49/94/438644994.db2.gz OYCDOGGXIMYGBC-CQSZACIVSA-N 1 3 336.436 0.299 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)o1 ZINC000423165173 438645681 /nfs/dbraw/zinc/64/56/81/438645681.db2.gz ARDGMWNZTFGJPS-AWEZNQCLSA-N 1 3 336.436 0.428 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423237615 438651304 /nfs/dbraw/zinc/65/13/04/438651304.db2.gz QBJPFCFEAQJXLM-IXDOHACOSA-N 1 3 344.459 0.492 20 0 ECADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410752724 438652145 /nfs/dbraw/zinc/65/21/45/438652145.db2.gz IJJMRCKAQAXFBP-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410752724 438652147 /nfs/dbraw/zinc/65/21/47/438652147.db2.gz IJJMRCKAQAXFBP-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO CS(=O)(=O)NCCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422802631 438607667 /nfs/dbraw/zinc/60/76/67/438607667.db2.gz HRVZRZSHNAZFOD-HOCLYGCPSA-N 1 3 339.461 0.771 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423360645 438666466 /nfs/dbraw/zinc/66/64/66/438666466.db2.gz GCDWPTYGOZRFAL-SFHVURJKSA-N 1 3 348.447 0.382 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1=O ZINC000453035018 438681473 /nfs/dbraw/zinc/68/14/73/438681473.db2.gz LSMPWAFAYLCIRP-YLFCFFPRSA-N 1 3 348.491 0.482 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1=O ZINC000453035018 438681477 /nfs/dbraw/zinc/68/14/77/438681477.db2.gz LSMPWAFAYLCIRP-YLFCFFPRSA-N 1 3 348.491 0.482 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)N1CCCCC1 ZINC000574788943 438721742 /nfs/dbraw/zinc/72/17/42/438721742.db2.gz HNMSMSAFCZESRG-CABCVRRESA-N 1 3 326.485 0.679 20 0 ECADHO COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C2 ZINC000415102144 438730239 /nfs/dbraw/zinc/73/02/39/438730239.db2.gz JLRHQKMTVBJZCY-HIFRSBDPSA-N 1 3 333.432 0.786 20 0 ECADHO COc1ccc2c(c1)OC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000415102141 438730471 /nfs/dbraw/zinc/73/04/71/438730471.db2.gz JLRHQKMTVBJZCY-DZGCQCFKSA-N 1 3 333.432 0.786 20 0 ECADHO CNC[C@H](O)C[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496054068 438738197 /nfs/dbraw/zinc/73/81/97/438738197.db2.gz UQAHSNWYCLOIIC-BBRMVZONSA-N 1 3 331.457 0.308 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC(=O)N(C)C3)CC2)CC1 ZINC000553425306 438750981 /nfs/dbraw/zinc/75/09/81/438750981.db2.gz LPCIMYARDGUZRN-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000557186147 438795088 /nfs/dbraw/zinc/79/50/88/438795088.db2.gz NLNKOSCVLPWCSO-CVEARBPZSA-N 1 3 347.463 0.915 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000575973977 438763547 /nfs/dbraw/zinc/76/35/47/438763547.db2.gz GHALJGPVDQZAGX-OWCLPIDISA-N 1 3 340.512 0.973 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)CC(C)C1 ZINC000456709529 438778075 /nfs/dbraw/zinc/77/80/75/438778075.db2.gz YQDJPNQHYYSEMM-UHFFFAOYSA-N 1 3 340.512 0.974 20 0 ECADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)CC(C)C1 ZINC000456709529 438778078 /nfs/dbraw/zinc/77/80/78/438778078.db2.gz YQDJPNQHYYSEMM-UHFFFAOYSA-N 1 3 340.512 0.974 20 0 ECADHO C[C@@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000576514792 438786667 /nfs/dbraw/zinc/78/66/67/438786667.db2.gz BBCAMYJVCBLZCD-PXNSSMCTSA-N 1 3 344.503 0.917 20 0 ECADHO CNC[C@H](O)C[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497277050 438788140 /nfs/dbraw/zinc/78/81/40/438788140.db2.gz ICXWBVUNLWFJRO-KBPBESRZSA-N 1 3 331.457 0.164 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000577214564 438824771 /nfs/dbraw/zinc/82/47/71/438824771.db2.gz KZWBNQUBOZGADS-OWCLPIDISA-N 1 3 334.464 0.141 20 0 ECADHO CCOC(=O)C1(C)CC(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000601266554 438838262 /nfs/dbraw/zinc/83/82/62/438838262.db2.gz BXXXQWQFHXEDAT-TUBUQKNSSA-N 1 3 325.453 0.895 20 0 ECADHO CCOC(=O)C1(C)CC(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000601266554 438838264 /nfs/dbraw/zinc/83/82/64/438838264.db2.gz BXXXQWQFHXEDAT-TUBUQKNSSA-N 1 3 325.453 0.895 20 0 ECADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000577607171 438855975 /nfs/dbraw/zinc/85/59/75/438855975.db2.gz AMFALUXZUXUVBO-CABCVRRESA-N 1 3 332.448 0.623 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595967268 438904384 /nfs/dbraw/zinc/90/43/84/438904384.db2.gz QMILAMUANIIASL-QLFBSQMISA-N 1 3 337.395 0.668 20 0 ECADHO COCCCNC(=O)[C@@H](C)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000578196459 438905869 /nfs/dbraw/zinc/90/58/69/438905869.db2.gz IWLINZFHWVSNAD-HZPDHXFCSA-N 1 3 326.485 0.145 20 0 ECADHO C[NH2+]CCC1CCN([C@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC000595890149 438877932 /nfs/dbraw/zinc/87/79/32/438877932.db2.gz YNEXLCABNJJFIE-HNNXBMFYSA-N 1 3 325.453 0.862 20 0 ECADHO CN1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000578488654 438927219 /nfs/dbraw/zinc/92/72/19/438927219.db2.gz DQGDPPKBVYULKM-DLBZAZTESA-N 1 3 331.464 0.545 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000565256128 438938618 /nfs/dbraw/zinc/93/86/18/438938618.db2.gz WXDKDTAWFIFMJF-AWEZNQCLSA-N 1 3 326.485 0.666 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000565416999 438949078 /nfs/dbraw/zinc/94/90/78/438949078.db2.gz KZSZSXLXGXIGOK-LJQANCHMSA-N 1 3 334.508 0.836 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000565416999 438949079 /nfs/dbraw/zinc/94/90/79/438949079.db2.gz KZSZSXLXGXIGOK-LJQANCHMSA-N 1 3 334.508 0.836 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000459299061 438958096 /nfs/dbraw/zinc/95/80/96/438958096.db2.gz JZLXDRTYVUNUDP-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000459299061 438958101 /nfs/dbraw/zinc/95/81/01/438958101.db2.gz JZLXDRTYVUNUDP-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H](CNC[C@H](O)CN1C(=O)c2ccccc2C1=O)C[NH+]1CCCC1 ZINC000517556474 438968507 /nfs/dbraw/zinc/96/85/07/438968507.db2.gz KWHSHTYPIUVBBQ-CABCVRRESA-N 1 3 345.443 0.965 20 0 ECADHO C[C@H](C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)CN1CCCC1 ZINC000517556474 438968512 /nfs/dbraw/zinc/96/85/12/438968512.db2.gz KWHSHTYPIUVBBQ-CABCVRRESA-N 1 3 345.443 0.965 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000565823688 438980404 /nfs/dbraw/zinc/98/04/04/438980404.db2.gz PBCKZBWEWXXFSE-HZPDHXFCSA-N 1 3 325.501 0.639 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000565823688 438980407 /nfs/dbraw/zinc/98/04/07/438980407.db2.gz PBCKZBWEWXXFSE-HZPDHXFCSA-N 1 3 325.501 0.639 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000565786697 438980680 /nfs/dbraw/zinc/98/06/80/438980680.db2.gz MEUIITBNFDBOHP-ULQDDVLXSA-N 1 3 332.448 0.531 20 0 ECADHO COC(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596693012 438989264 /nfs/dbraw/zinc/98/92/64/438989264.db2.gz PVGHPAJBYHREIR-GJZGRUSLSA-N 1 3 342.484 0.996 20 0 ECADHO COC(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596693012 438989269 /nfs/dbraw/zinc/98/92/69/438989269.db2.gz PVGHPAJBYHREIR-GJZGRUSLSA-N 1 3 342.484 0.996 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(Cn2cncn2)CC1 ZINC000566069166 439002964 /nfs/dbraw/zinc/00/29/64/439002964.db2.gz XTTAUKLHEVDRNZ-ROUUACIJSA-N 1 3 329.448 0.921 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000566069166 439002971 /nfs/dbraw/zinc/00/29/71/439002971.db2.gz XTTAUKLHEVDRNZ-ROUUACIJSA-N 1 3 329.448 0.921 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)C[C@@H]21 ZINC000519699343 439055589 /nfs/dbraw/zinc/05/55/89/439055589.db2.gz XGLKZJHYJMMOHW-OAGGEKHMSA-N 1 3 334.464 0.140 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000519707032 439058001 /nfs/dbraw/zinc/05/80/01/439058001.db2.gz BJUQXHJOZHOWDL-GJZGRUSLSA-N 1 3 337.468 0.075 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000460026363 439059033 /nfs/dbraw/zinc/05/90/33/439059033.db2.gz KJLDWLLGIZMFRU-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000566213040 439026413 /nfs/dbraw/zinc/02/64/13/439026413.db2.gz IUAUHXYBZPRTQN-ZMSDIMECSA-N 1 3 325.453 0.500 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCn4nncc4C3)CC2)CC1 ZINC000566745593 439086291 /nfs/dbraw/zinc/08/62/91/439086291.db2.gz CWBDYPZRDYETKE-UHFFFAOYSA-N 1 3 347.467 0.362 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000580541200 439101336 /nfs/dbraw/zinc/10/13/36/439101336.db2.gz MOMLTWSWCVIPSQ-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@@H]2CN(C(=O)C3([S@](C)=O)CC[NH2+]CC3)CC[C@@H]21 ZINC000602515401 439102007 /nfs/dbraw/zinc/10/20/07/439102007.db2.gz XJQMLVNJWIVVHB-QLEMLULZSA-N 1 3 327.494 0.430 20 0 ECADHO COCCN(C)CC[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000479283367 439115893 /nfs/dbraw/zinc/11/58/93/439115893.db2.gz OUJLATXLQGYENN-BRWVUGGUSA-N 1 3 335.448 0.535 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000580658114 439116294 /nfs/dbraw/zinc/11/62/94/439116294.db2.gz BXLJTPHQFVCVBH-HUUCEWRRSA-N 1 3 332.452 0.375 20 0 ECADHO N[C@@H]1CCC[C@@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000580658114 439116302 /nfs/dbraw/zinc/11/63/02/439116302.db2.gz BXLJTPHQFVCVBH-HUUCEWRRSA-N 1 3 332.452 0.375 20 0 ECADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000460061980 439070133 /nfs/dbraw/zinc/07/01/33/439070133.db2.gz NDQXYTIOMBOOSS-AWEZNQCLSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)C[C@H](O)C[NH3+] ZINC000567276506 439129041 /nfs/dbraw/zinc/12/90/41/439129041.db2.gz LFWDAFBEYXMZHF-MAUKXSAKSA-N 1 3 348.491 0.407 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000521875246 439132635 /nfs/dbraw/zinc/13/26/35/439132635.db2.gz WFAPEYNHIXNEMO-QWHCGFSZSA-N 1 3 340.493 0.880 20 0 ECADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000522002532 439136956 /nfs/dbraw/zinc/13/69/56/439136956.db2.gz ZGCRKGSAQMJPOB-XJKSGUPXSA-N 1 3 332.452 0.759 20 0 ECADHO C[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC(C)CC1 ZINC000580949668 439151115 /nfs/dbraw/zinc/15/11/15/439151115.db2.gz STEFYTDOZLNJLB-HUUCEWRRSA-N 1 3 334.468 0.880 20 0 ECADHO C[C@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)CN1CCN(C)CC1 ZINC000581069584 439166287 /nfs/dbraw/zinc/16/62/87/439166287.db2.gz JOLBGXDISQPIJY-WBVHZDCISA-N 1 3 348.495 0.421 20 0 ECADHO COC(=O)c1cnn(C)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000603024453 439185070 /nfs/dbraw/zinc/18/50/70/439185070.db2.gz LZANTQROHHGHQH-UHFFFAOYSA-N 1 3 340.428 0.164 20 0 ECADHO O=C1N[C@@H]2CN(C[C@@H]3CCCC[C@H]3O)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000568051652 439209083 /nfs/dbraw/zinc/20/90/83/439209083.db2.gz WEBMTTHJTIZOGD-RKTXRCNFSA-N 1 3 336.480 0.758 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000581440967 439213970 /nfs/dbraw/zinc/21/39/70/439213970.db2.gz XRYSALAETAZIOE-AWEZNQCLSA-N 1 3 326.485 0.810 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000581482743 439217888 /nfs/dbraw/zinc/21/78/88/439217888.db2.gz YULOPGWZSLIHEN-PMPSAXMXSA-N 1 3 334.464 0.141 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)C[C@H]2N)cn1 ZINC000581998029 439277245 /nfs/dbraw/zinc/27/72/45/439277245.db2.gz PYFXDUHLOJHJES-CWRNSKLLSA-N 1 3 334.468 0.588 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)C[C@H]2N)cn1 ZINC000581998029 439277247 /nfs/dbraw/zinc/27/72/47/439277247.db2.gz PYFXDUHLOJHJES-CWRNSKLLSA-N 1 3 334.468 0.588 20 0 ECADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592558813 439255189 /nfs/dbraw/zinc/25/51/89/439255189.db2.gz OXBLLCLJVPPLGX-LJIGWXMPSA-N 1 3 337.464 0.718 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569334070 439322691 /nfs/dbraw/zinc/32/26/91/439322691.db2.gz WLLLXZUXVPETIQ-KBPBESRZSA-N 1 3 347.454 0.556 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000569344460 439326526 /nfs/dbraw/zinc/32/65/26/439326526.db2.gz MCPMGLFVAJRWAA-WBVHZDCISA-N 1 3 348.495 0.563 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000582369765 439327007 /nfs/dbraw/zinc/32/70/07/439327007.db2.gz VMDMDGSBGSWKFX-LSDHHAIUSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)NC2(CNC(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000582369765 439327013 /nfs/dbraw/zinc/32/70/13/439327013.db2.gz VMDMDGSBGSWKFX-LSDHHAIUSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000604166462 439297916 /nfs/dbraw/zinc/29/79/16/439297916.db2.gz XDDXSZFDUAAMJG-DOTOQJQBSA-N 1 3 337.512 0.794 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000604166462 439297923 /nfs/dbraw/zinc/29/79/23/439297923.db2.gz XDDXSZFDUAAMJG-DOTOQJQBSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000569621618 439350175 /nfs/dbraw/zinc/35/01/75/439350175.db2.gz UTCVNHZTFAQXHB-FVQBIDKESA-N 1 3 334.464 0.282 20 0 ECADHO O=C(C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000583558701 439480796 /nfs/dbraw/zinc/48/07/96/439480796.db2.gz PXYJGNBLLVTAPR-YJBOKZPZSA-N 1 3 334.464 0.285 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000583572064 439482340 /nfs/dbraw/zinc/48/23/40/439482340.db2.gz QDGDFQOVZRAFCI-HDMKZQKVSA-N 1 3 339.480 0.746 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN2CCC[C@@H]2C1 ZINC000571312851 439493693 /nfs/dbraw/zinc/49/36/93/439493693.db2.gz IOSUNTQTWZLBLY-BZUAXINKSA-N 1 3 334.464 0.141 20 0 ECADHO C[N@H+]1C[C@H]2CN(C(=O)[C@]3(O)CCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000571975938 439546157 /nfs/dbraw/zinc/54/61/57/439546157.db2.gz ZGLDGFNJGTUWHY-SCTDSRPQSA-N 1 3 329.444 0.643 20 0 ECADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@]3(O)CCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000571975938 439546162 /nfs/dbraw/zinc/54/61/62/439546162.db2.gz ZGLDGFNJGTUWHY-SCTDSRPQSA-N 1 3 329.444 0.643 20 0 ECADHO O=S1(=O)CCN(C2CCN(CCC3CC[NH2+]CC3)CC2)CC1 ZINC000572405548 439581668 /nfs/dbraw/zinc/58/16/68/439581668.db2.gz WGZGYWAHBSXMNG-UHFFFAOYSA-N 1 3 329.510 0.571 20 0 ECADHO [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCCO1 ZINC000572600867 439594032 /nfs/dbraw/zinc/59/40/32/439594032.db2.gz QGWRIIDXSJSDQE-IRXDYDNUSA-N 1 3 332.448 0.870 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCC(=O)NC)CC2)CC1 ZINC000572897379 439614673 /nfs/dbraw/zinc/61/46/73/439614673.db2.gz JNIMCMBGNAXJFG-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO Cn1cc(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000573340626 439642090 /nfs/dbraw/zinc/64/20/90/439642090.db2.gz LFQIUYOEBVHMGE-UHFFFAOYSA-N 1 3 335.452 0.474 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000611641360 439714344 /nfs/dbraw/zinc/71/43/44/439714344.db2.gz QYOOINADWWUMAH-LZWOXQAQSA-N 1 3 336.480 0.671 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000611641360 439714348 /nfs/dbraw/zinc/71/43/48/439714348.db2.gz QYOOINADWWUMAH-LZWOXQAQSA-N 1 3 336.480 0.671 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)CCN2C1=O ZINC000595270245 439687177 /nfs/dbraw/zinc/68/71/77/439687177.db2.gz PCDPQJUPYCXEEE-NUEKZKHPSA-N 1 3 349.479 0.347 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CCCCC4)C3)CCN2C1=O ZINC000595270245 439687181 /nfs/dbraw/zinc/68/71/81/439687181.db2.gz PCDPQJUPYCXEEE-NUEKZKHPSA-N 1 3 349.479 0.347 20 0 ECADHO C[C@H]1CC2(CN1C(=O)C(=O)N1C[C@@H]3CCN(C)[C@@H]3C1)CC[NH2+]CC2 ZINC000574192226 439688866 /nfs/dbraw/zinc/68/88/66/439688866.db2.gz VYADVXWLWAKYGQ-SOUVJXGZSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916073 439746133 /nfs/dbraw/zinc/74/61/33/439746133.db2.gz VCTCOHSHNSUHJX-KGLIPLIRSA-N 1 3 349.483 0.303 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)ccn1 ZINC000612974281 439747526 /nfs/dbraw/zinc/74/75/26/439747526.db2.gz FFRQJKSXADGOML-HNNXBMFYSA-N 1 3 347.463 0.963 20 0 ECADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000613956746 439766678 /nfs/dbraw/zinc/76/66/78/439766678.db2.gz NODHKABACSRZFQ-QKPAOTATSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000613956746 439766679 /nfs/dbraw/zinc/76/66/79/439766679.db2.gz NODHKABACSRZFQ-QKPAOTATSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000613956746 439766680 /nfs/dbraw/zinc/76/66/80/439766680.db2.gz NODHKABACSRZFQ-QKPAOTATSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000613956746 439766681 /nfs/dbraw/zinc/76/66/81/439766681.db2.gz NODHKABACSRZFQ-QKPAOTATSA-N 1 3 338.496 0.679 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(CCC)C1 ZINC000612541733 439725076 /nfs/dbraw/zinc/72/50/76/439725076.db2.gz FVKHCKFNRBZOCL-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000612547389 439726896 /nfs/dbraw/zinc/72/68/96/439726896.db2.gz CQBGIPRQXCNMOT-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000612547389 439726899 /nfs/dbraw/zinc/72/68/99/439726899.db2.gz CQBGIPRQXCNMOT-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)C2CC[NH+](CCC)CC2)C1 ZINC000612552358 439729106 /nfs/dbraw/zinc/72/91/06/439729106.db2.gz VOJMQTGJQASLBO-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN(C)CC(=O)N[C@@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC000614986006 439791608 /nfs/dbraw/zinc/79/16/08/439791608.db2.gz ZHSCRKXMCMBODG-KRWDZBQOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)N[C@@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC000614986006 439791609 /nfs/dbraw/zinc/79/16/09/439791609.db2.gz ZHSCRKXMCMBODG-KRWDZBQOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)N[C@@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC000614986006 439791610 /nfs/dbraw/zinc/79/16/10/439791610.db2.gz ZHSCRKXMCMBODG-KRWDZBQOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[C@H](C(=O)N[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000614985221 439791693 /nfs/dbraw/zinc/79/16/93/439791693.db2.gz QAOMYNJFYRCVHR-KEYYUXOJSA-N 1 3 326.485 0.774 20 0 ECADHO CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000615277654 439798132 /nfs/dbraw/zinc/79/81/32/439798132.db2.gz XNUKTEBIUQMTAZ-HOTGVXAUSA-N 1 3 335.452 0.380 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)C1 ZINC000662757199 439877474 /nfs/dbraw/zinc/87/74/74/439877474.db2.gz KVHXYACXLPUUAD-HIFRSBDPSA-N 1 3 348.413 0.767 20 0 ECADHO C[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000662658994 439836549 /nfs/dbraw/zinc/83/65/49/439836549.db2.gz HIELZGOMDOLGCP-RHSMWYFYSA-N 1 3 334.464 0.801 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652399784 439838443 /nfs/dbraw/zinc/83/84/43/439838443.db2.gz FFJPKKMSOPJKOH-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662710696 439854329 /nfs/dbraw/zinc/85/43/29/439854329.db2.gz JDUSBLJJLXCUKS-CQSZACIVSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652459334 439856009 /nfs/dbraw/zinc/85/60/09/439856009.db2.gz IZJCKJXWKVMQFW-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652459334 439856013 /nfs/dbraw/zinc/85/60/13/439856013.db2.gz IZJCKJXWKVMQFW-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504853 439900894 /nfs/dbraw/zinc/90/08/94/439900894.db2.gz MYAZUIRNMGTQFM-HOCLYGCPSA-N 1 3 326.485 0.776 20 0 ECADHO CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504853 439900900 /nfs/dbraw/zinc/90/09/00/439900900.db2.gz MYAZUIRNMGTQFM-HOCLYGCPSA-N 1 3 326.485 0.776 20 0 ECADHO N[C@H](CC(F)F)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662859450 439917050 /nfs/dbraw/zinc/91/70/50/439917050.db2.gz MYTCODIKPMXWOD-UONOGXRCSA-N 1 3 327.375 0.852 20 0 ECADHO N[C@H](CC(F)F)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662859450 439917055 /nfs/dbraw/zinc/91/70/55/439917055.db2.gz MYTCODIKPMXWOD-UONOGXRCSA-N 1 3 327.375 0.852 20 0 ECADHO C[NH2+]CCOCCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000626868842 439921344 /nfs/dbraw/zinc/92/13/44/439921344.db2.gz IFIXTALLCUPNQM-UHFFFAOYSA-N 1 3 336.436 0.347 20 0 ECADHO CN(CCCNC(=O)C(=O)N1CCC(C)([NH3+])CC1)Cc1ccccc1 ZINC000642302699 439968926 /nfs/dbraw/zinc/96/89/26/439968926.db2.gz YITKNPUAZLBIDN-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000662963563 439969970 /nfs/dbraw/zinc/96/99/70/439969970.db2.gz VNTMUHBQRYODOJ-DLBZAZTESA-N 1 3 344.459 0.527 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000631913964 439975162 /nfs/dbraw/zinc/97/51/62/439975162.db2.gz RIGJCPPGCBAWDA-UHFFFAOYSA-N 1 3 344.525 0.865 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000631919314 439979562 /nfs/dbraw/zinc/97/95/62/439979562.db2.gz HQILQJNUOGLEQG-MRXNPFEDSA-N 1 3 346.541 0.370 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000631919314 439979567 /nfs/dbraw/zinc/97/95/67/439979567.db2.gz HQILQJNUOGLEQG-MRXNPFEDSA-N 1 3 346.541 0.370 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626992813 439982629 /nfs/dbraw/zinc/98/26/29/439982629.db2.gz GVDHHVKPYJIABY-UHFFFAOYSA-N 1 3 330.473 0.493 20 0 ECADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000642009064 439940135 /nfs/dbraw/zinc/94/01/35/439940135.db2.gz NMJYOEUDFYESDQ-LSDHHAIUSA-N 1 3 337.468 0.063 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000652718896 439941031 /nfs/dbraw/zinc/94/10/31/439941031.db2.gz OXRFMPIPIWVOEE-MRXNPFEDSA-N 1 3 332.448 0.575 20 0 ECADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662925416 439944872 /nfs/dbraw/zinc/94/48/72/439944872.db2.gz PXCSPLBQMOILMT-UHFFFAOYSA-N 1 3 338.427 0.523 20 0 ECADHO C[C@H]([NH2+]C1(CNC(=O)C(=O)NC2CNC2)CCCC1)c1ccccc1 ZINC000642178877 439954223 /nfs/dbraw/zinc/95/42/23/439954223.db2.gz BZTQTVHQVXIVIQ-AWEZNQCLSA-N 1 3 344.459 0.854 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000642253894 439961141 /nfs/dbraw/zinc/96/11/41/439961141.db2.gz PBMOBXPQHGWPEX-RDJZCZTQSA-N 1 3 346.475 0.726 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631926336 439989745 /nfs/dbraw/zinc/98/97/45/439989745.db2.gz UXLICPVDCOLXMP-KFWWJZLASA-N 1 3 346.541 0.871 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631926339 439989857 /nfs/dbraw/zinc/98/98/57/439989857.db2.gz UXLICPVDCOLXMP-ZNMIVQPWSA-N 1 3 346.541 0.871 20 0 ECADHO CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017744 439992587 /nfs/dbraw/zinc/99/25/87/439992587.db2.gz KSKXUQBROMNHSB-CJNGLKHVSA-N 1 3 346.479 0.523 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000642761508 440027442 /nfs/dbraw/zinc/02/74/42/440027442.db2.gz XBBWDPGXMWSUMO-OUCADQQQSA-N 1 3 338.477 0.711 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000627240610 440061941 /nfs/dbraw/zinc/06/19/41/440061941.db2.gz SZPBWSYJMSKISE-OWLYRPNTSA-N 1 3 346.475 0.919 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642948166 440066866 /nfs/dbraw/zinc/06/68/66/440066866.db2.gz DJNQGSYQIKTLEY-SJORKVTESA-N 1 3 346.475 0.819 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000642958569 440069649 /nfs/dbraw/zinc/06/96/49/440069649.db2.gz UMEOHTHUUOQQHF-BFHYXJOUSA-N 1 3 340.468 0.205 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cn1 ZINC000653121953 440075713 /nfs/dbraw/zinc/07/57/13/440075713.db2.gz HRMODGKEOYHEDX-CABCVRRESA-N 1 3 348.451 0.030 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NCc2cccc(C(N)=O)c2)CC1 ZINC000663503743 440086043 /nfs/dbraw/zinc/08/60/43/440086043.db2.gz LMLRWGVBYWCEFE-UHFFFAOYSA-N 1 3 332.448 0.866 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)C1=CC[N@H+](C)CC1 ZINC000636908934 440088664 /nfs/dbraw/zinc/08/86/64/440088664.db2.gz QMFVCRQOPYEAIH-YOEHRIQHSA-N 1 3 348.491 0.886 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000636908934 440088670 /nfs/dbraw/zinc/08/86/70/440088670.db2.gz QMFVCRQOPYEAIH-YOEHRIQHSA-N 1 3 348.491 0.886 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000642908448 440056852 /nfs/dbraw/zinc/05/68/52/440056852.db2.gz RSDCWENNJBBMKN-ZMSDIMECSA-N 1 3 346.475 0.961 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000642908446 440057244 /nfs/dbraw/zinc/05/72/44/440057244.db2.gz RSDCWENNJBBMKN-UXLLHSPISA-N 1 3 346.475 0.961 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000627320051 440119532 /nfs/dbraw/zinc/11/95/32/440119532.db2.gz OZYIMWBRMGEVLT-UHFFFAOYSA-N 1 3 346.475 0.822 20 0 ECADHO CCN(C(=O)C(=O)N(C)CCC[NH+]1CCCC1)[C@@H]1CCN(CC)C1 ZINC000658826342 440140973 /nfs/dbraw/zinc/14/09/73/440140973.db2.gz PCQOVNNJJIGAQX-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653426049 440167036 /nfs/dbraw/zinc/16/70/36/440167036.db2.gz ITALFEOADYMGOG-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1=O ZINC000647905733 440187290 /nfs/dbraw/zinc/18/72/90/440187290.db2.gz IMSNEJBKCWIUDV-CVEARBPZSA-N 1 3 332.448 0.466 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000643513412 440192522 /nfs/dbraw/zinc/19/25/22/440192522.db2.gz QDJXPXAGXXAQBQ-HZPDHXFCSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000643518541 440194424 /nfs/dbraw/zinc/19/44/24/440194424.db2.gz VSBKKPOTQAGWFU-OTJKEOIZSA-N 1 3 334.464 0.267 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000643524346 440197654 /nfs/dbraw/zinc/19/76/54/440197654.db2.gz JRQGCNDBNOWKLZ-AWEZNQCLSA-N 1 3 336.436 0.367 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453365 440215229 /nfs/dbraw/zinc/21/52/29/440215229.db2.gz LFTGVFFISUXEHT-UHFFFAOYSA-N 1 3 342.484 0.191 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000643594590 440218157 /nfs/dbraw/zinc/21/81/57/440218157.db2.gz VLFNDRKYRAYXDO-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643531960 440203012 /nfs/dbraw/zinc/20/30/12/440203012.db2.gz HVQZZPUMDZJZOX-HUUCEWRRSA-N 1 3 342.484 0.141 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000627440091 440206019 /nfs/dbraw/zinc/20/60/19/440206019.db2.gz BPWUARHWEOYEKG-GJZGRUSLSA-N 1 3 334.464 0.474 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000643545399 440208413 /nfs/dbraw/zinc/20/84/13/440208413.db2.gz LHELIZWXTGCZFG-QRJUGERDSA-N 1 3 334.464 0.267 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000659159304 440265746 /nfs/dbraw/zinc/26/57/46/440265746.db2.gz NIFJYODVHXIFKO-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@]3(O)CCN(Cc4ccccc4)C3)C[C@H]21 ZINC000627650235 440284467 /nfs/dbraw/zinc/28/44/67/440284467.db2.gz CMZMSLIOZDRCFP-FAJBIJEISA-N 1 3 329.444 0.642 20 0 ECADHO CN(C)CCn1cc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cn1 ZINC000637824665 440343287 /nfs/dbraw/zinc/34/32/87/440343287.db2.gz OXICJAGDTCODFE-UHFFFAOYSA-N 1 3 343.435 0.502 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000659525102 440352616 /nfs/dbraw/zinc/35/26/16/440352616.db2.gz WCCMNCGSIYFCOY-KGLIPLIRSA-N 1 3 327.473 0.165 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000659518600 440353882 /nfs/dbraw/zinc/35/38/82/440353882.db2.gz YRXAVZOWYKLHEA-OAHLLOKOSA-N 1 3 341.500 0.555 20 0 ECADHO C[C@H](CCN1CC[C@@H](C(=O)N(C)C)C1)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000664780210 440373472 /nfs/dbraw/zinc/37/34/72/440373472.db2.gz NSSKYURXWRACRS-BZUAXINKSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CCN1CC[C@@H](C(=O)N(C)C)C1)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000664780210 440373477 /nfs/dbraw/zinc/37/34/77/440373477.db2.gz NSSKYURXWRACRS-BZUAXINKSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CC[N@@H+]1CC[C@@H](C(=O)N(C)C)C1)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000664780210 440373482 /nfs/dbraw/zinc/37/34/82/440373482.db2.gz NSSKYURXWRACRS-BZUAXINKSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CC[N@H+]1CC[C@@H](C(=O)N(C)C)C1)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000664780210 440373486 /nfs/dbraw/zinc/37/34/86/440373486.db2.gz NSSKYURXWRACRS-BZUAXINKSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(C)C(=O)[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664735957 440365522 /nfs/dbraw/zinc/36/55/22/440365522.db2.gz BIMAXAJNZXVKLH-UONOGXRCSA-N 1 3 329.489 0.424 20 0 ECADHO CCN(C)C(=O)[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664735957 440365526 /nfs/dbraw/zinc/36/55/26/440365526.db2.gz BIMAXAJNZXVKLH-UONOGXRCSA-N 1 3 329.489 0.424 20 0 ECADHO CN1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)[C@@H](CN)C1 ZINC000659576760 440367576 /nfs/dbraw/zinc/36/75/76/440367576.db2.gz KZRFGNJTERWVMC-GVDBMIGSSA-N 1 3 331.464 0.416 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659466766 440334113 /nfs/dbraw/zinc/33/41/13/440334113.db2.gz JYHRKIUDEGQPLW-LBPRGKRZSA-N 1 3 336.440 0.418 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659466766 440334118 /nfs/dbraw/zinc/33/41/18/440334118.db2.gz JYHRKIUDEGQPLW-LBPRGKRZSA-N 1 3 336.440 0.418 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000633037411 440415988 /nfs/dbraw/zinc/41/59/88/440415988.db2.gz PFBHEADPUOJCCZ-CHWSQXEVSA-N 1 3 334.420 0.514 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000633038985 440417413 /nfs/dbraw/zinc/41/74/13/440417413.db2.gz RKMOAWLXDIVCFQ-CHWSQXEVSA-N 1 3 334.420 0.514 20 0 ECADHO C[C@H](CCN1CC[C@H](C(=O)N(C)C)C1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000664780213 440374581 /nfs/dbraw/zinc/37/45/81/440374581.db2.gz NSSKYURXWRACRS-PMPSAXMXSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CCN1CC[C@H](C(=O)N(C)C)C1)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000664780213 440374586 /nfs/dbraw/zinc/37/45/86/440374586.db2.gz NSSKYURXWRACRS-PMPSAXMXSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CC[N@@H+]1CC[C@H](C(=O)N(C)C)C1)N1CC[C@H](C(=O)N(C)C)C1 ZINC000664780213 440374590 /nfs/dbraw/zinc/37/45/90/440374590.db2.gz NSSKYURXWRACRS-PMPSAXMXSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@H](CC[N@H+]1CC[C@H](C(=O)N(C)C)C1)N1CC[C@H](C(=O)N(C)C)C1 ZINC000664780213 440374595 /nfs/dbraw/zinc/37/45/95/440374595.db2.gz NSSKYURXWRACRS-PMPSAXMXSA-N 1 3 338.496 0.585 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000659637503 440388114 /nfs/dbraw/zinc/38/81/14/440388114.db2.gz PIRJFUSEVCICBA-OAHLLOKOSA-N 1 3 325.501 0.794 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)c1ccccc1 ZINC000659674072 440409091 /nfs/dbraw/zinc/40/90/91/440409091.db2.gz KLBTYQUHFKKKDR-GOEBONIOSA-N 1 3 334.464 0.910 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638050194 440410688 /nfs/dbraw/zinc/41/06/88/440410688.db2.gz SRDYHGLPLDMQGU-QWRGUYRKSA-N 1 3 342.394 0.964 20 0 ECADHO O=C(CCC1C[NH2+]C1)NCCCN1CCN(c2ccncc2)CC1 ZINC000638142130 440464483 /nfs/dbraw/zinc/46/44/83/440464483.db2.gz YLGSUWOUEXGKBH-UHFFFAOYSA-N 1 3 331.464 0.710 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000659727029 440464967 /nfs/dbraw/zinc/46/49/67/440464967.db2.gz NYJHALYNFOWLBL-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659738047 440476036 /nfs/dbraw/zinc/47/60/36/440476036.db2.gz YJWNKUPOUINVKO-KDOFPFPSSA-N 1 3 336.480 0.707 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000659741574 440479020 /nfs/dbraw/zinc/47/90/20/440479020.db2.gz OWIAMXFEKPOOFA-ARFHVFGLSA-N 1 3 338.496 0.809 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347425 440479351 /nfs/dbraw/zinc/47/93/51/440479351.db2.gz WHQZLHNNOLRQTA-ZIAGYGMSSA-N 1 3 346.431 0.210 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659703238 440437295 /nfs/dbraw/zinc/43/72/95/440437295.db2.gz YDKJJQWAYLZQBR-UHFFFAOYSA-N 1 3 330.432 0.314 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633093988 440439261 /nfs/dbraw/zinc/43/92/61/440439261.db2.gz GWMKYWNXLPGOSY-HNNXBMFYSA-N 1 3 336.480 0.803 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638136745 440456848 /nfs/dbraw/zinc/45/68/48/440456848.db2.gz AQFKVHDZGDLRMZ-BFYDXBDKSA-N 1 3 326.485 0.143 20 0 ECADHO C[NH+](C)CCOc1ccc(CCNC(=O)COC2(C)CNC2)cc1 ZINC000649321959 440459901 /nfs/dbraw/zinc/45/99/01/440459901.db2.gz ZVTWFDUCMFOUJX-UHFFFAOYSA-N 1 3 335.448 0.664 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)c3csc(CC[NH3+])n3)CC2)C1 ZINC000649352958 440485716 /nfs/dbraw/zinc/48/57/16/440485716.db2.gz XEEUKKHTQAWLMO-CYBMUJFWSA-N 1 3 337.493 0.496 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N(C)C3CC([NH3+])C3)ccc2[nH]c1=O ZINC000638254448 440489992 /nfs/dbraw/zinc/48/99/92/440489992.db2.gz AOKBIDHGPZHLJL-UHFFFAOYSA-N 1 3 331.420 0.865 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000659751623 440491117 /nfs/dbraw/zinc/49/11/17/440491117.db2.gz WCFCNWQXBIRHFN-HNNXBMFYSA-N 1 3 346.475 0.834 20 0 ECADHO COCCN1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638274213 440491332 /nfs/dbraw/zinc/49/13/32/440491332.db2.gz MHXDNWNQWOVJQH-GOSISDBHSA-N 1 3 348.491 0.626 20 0 ECADHO COCCN1CCCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638274213 440491335 /nfs/dbraw/zinc/49/13/35/440491335.db2.gz MHXDNWNQWOVJQH-GOSISDBHSA-N 1 3 348.491 0.626 20 0 ECADHO CC1(C)CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCN1 ZINC000638271083 440493966 /nfs/dbraw/zinc/49/39/66/440493966.db2.gz RKGPNWYTYMWEGF-VIFPVBQESA-N 1 3 328.367 0.574 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638366943 440520553 /nfs/dbraw/zinc/52/05/53/440520553.db2.gz AZXNLHKCQCTDRD-OAHLLOKOSA-N 1 3 327.469 0.762 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000665758847 440523749 /nfs/dbraw/zinc/52/37/49/440523749.db2.gz RADQZVPBCLAKFI-HNNXBMFYSA-N 1 3 343.516 0.014 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000665762554 440527674 /nfs/dbraw/zinc/52/76/74/440527674.db2.gz IIXFCPGULGFDMM-XJKSGUPXSA-N 1 3 327.473 0.165 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000665762554 440527685 /nfs/dbraw/zinc/52/76/85/440527685.db2.gz IIXFCPGULGFDMM-XJKSGUPXSA-N 1 3 327.473 0.165 20 0 ECADHO Cc1nnc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000665764250 440531677 /nfs/dbraw/zinc/53/16/77/440531677.db2.gz ZFOXETYBZBXMKQ-LBPRGKRZSA-N 1 3 326.445 0.791 20 0 ECADHO Cc1nnc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000665764250 440531684 /nfs/dbraw/zinc/53/16/84/440531684.db2.gz ZFOXETYBZBXMKQ-LBPRGKRZSA-N 1 3 326.445 0.791 20 0 ECADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CN1CC[NH2+]CC1 ZINC000638231796 440483761 /nfs/dbraw/zinc/48/37/61/440483761.db2.gz OKLGFZKWRIWFKW-UHFFFAOYSA-N 1 3 340.418 0.760 20 0 ECADHO C[C@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)CN1CCN(C)CC1 ZINC000638551393 440567961 /nfs/dbraw/zinc/56/79/61/440567961.db2.gz KMCGVRHUYKAOLC-MRXNPFEDSA-N 1 3 326.529 0.695 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000655551661 440585354 /nfs/dbraw/zinc/58/53/54/440585354.db2.gz ACURWHDPOQUZLE-JKSUJKDBSA-N 1 3 337.512 0.891 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000655551661 440585358 /nfs/dbraw/zinc/58/53/58/440585358.db2.gz ACURWHDPOQUZLE-JKSUJKDBSA-N 1 3 337.512 0.891 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000655551661 440585364 /nfs/dbraw/zinc/58/53/64/440585364.db2.gz ACURWHDPOQUZLE-JKSUJKDBSA-N 1 3 337.512 0.891 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N(C)C ZINC000638440734 440540871 /nfs/dbraw/zinc/54/08/71/440540871.db2.gz PPYYMLVOHGXAEY-GOEBONIOSA-N 1 3 348.495 0.866 20 0 ECADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@H]2CNC(=O)C2)CC1 ZINC000660076171 440592122 /nfs/dbraw/zinc/59/21/22/440592122.db2.gz GYIKATVHLXRFQW-MRXNPFEDSA-N 1 3 346.475 0.885 20 0 ECADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)C1CC[NH+](C)CC1 ZINC000655576639 440592585 /nfs/dbraw/zinc/59/25/85/440592585.db2.gz ORSRSMUICCNXKS-HOCLYGCPSA-N 1 3 326.485 0.863 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000634271041 440630369 /nfs/dbraw/zinc/63/03/69/440630369.db2.gz QSPIBVRTJBDNJB-HNNXBMFYSA-N 1 3 325.501 0.844 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCc2cccc3c2CC[NH2+]C3)CC1=O ZINC000638843800 440632370 /nfs/dbraw/zinc/63/23/70/440632370.db2.gz OJEBQMJIPUWDTE-INIZCTEOSA-N 1 3 344.459 0.359 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000660349171 440639085 /nfs/dbraw/zinc/63/90/85/440639085.db2.gz WAIXZAQCLVIHRQ-BZUAXINKSA-N 1 3 338.496 0.917 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000639006246 440662101 /nfs/dbraw/zinc/66/21/01/440662101.db2.gz UDCLCHBWWOCLHB-AEFFLSMTSA-N 1 3 346.475 0.785 20 0 ECADHO C[C@H]1NC(=O)CC[C@@H]1NCC1(C[NH2+][C@H]2CCC(=O)N[C@H]2C)CCC1 ZINC000660477053 440662269 /nfs/dbraw/zinc/66/22/69/440662269.db2.gz ILAFVZUICZCQOR-XGUBFFRZSA-N 1 3 336.480 0.670 20 0 ECADHO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC1(CN[C@H]2CCC(=O)N[C@H]2C)CCC1 ZINC000660477053 440662276 /nfs/dbraw/zinc/66/22/76/440662276.db2.gz ILAFVZUICZCQOR-XGUBFFRZSA-N 1 3 336.480 0.670 20 0 ECADHO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000650724787 440675372 /nfs/dbraw/zinc/67/53/72/440675372.db2.gz MMOAVCZUMIUDLZ-HIFRSBDPSA-N 1 3 332.448 0.550 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCC[NH2+]C1 ZINC000656024355 440695423 /nfs/dbraw/zinc/69/54/23/440695423.db2.gz KZHHHFCSYJHUGR-DAYGRLMNSA-N 1 3 336.480 0.625 20 0 ECADHO CN(C)CCN1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1=O ZINC000650841269 440696003 /nfs/dbraw/zinc/69/60/03/440696003.db2.gz JUCYCPCWIDMUHU-UHFFFAOYSA-N 1 3 339.484 0.134 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656027175 440696532 /nfs/dbraw/zinc/69/65/32/440696532.db2.gz BSKHOECXCTUJRJ-XHSDSOJGSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656028246 440697867 /nfs/dbraw/zinc/69/78/67/440697867.db2.gz JKAZEYSMPGCGRK-OWCLPIDISA-N 1 3 338.496 0.951 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[C@H]1[NH3+] ZINC000656028706 440701221 /nfs/dbraw/zinc/70/12/21/440701221.db2.gz PEZIKTPIWVAKLV-KLHDSHLOSA-N 1 3 336.480 0.705 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000656040581 440699155 /nfs/dbraw/zinc/69/91/55/440699155.db2.gz LRNODPYGQQCODA-UKPHBRMFSA-N 1 3 344.459 0.528 20 0 ECADHO CCCN1CC[C@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000666926860 440710030 /nfs/dbraw/zinc/71/00/30/440710030.db2.gz ZQOIHMMADDSRCT-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO CCCN1CC[C@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000666926860 440710037 /nfs/dbraw/zinc/71/00/37/440710037.db2.gz ZQOIHMMADDSRCT-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCOC2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC000629516914 440716534 /nfs/dbraw/zinc/71/65/34/440716534.db2.gz UIOLYJBBVMAUJH-DOTOQJQBSA-N 1 3 339.480 0.762 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591871 440741477 /nfs/dbraw/zinc/74/14/77/440741477.db2.gz PUNBENRFOSDQFX-HNNXBMFYSA-N 1 3 333.498 0.406 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645260969 440770219 /nfs/dbraw/zinc/77/02/19/440770219.db2.gz RRJHWTHUNIHTEB-KGLIPLIRSA-N 1 3 327.473 0.478 20 0 ECADHO C[C@@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C[NH+]1CCCC1 ZINC000645263336 440772903 /nfs/dbraw/zinc/77/29/03/440772903.db2.gz XLWPTRHVFXYAJZ-GJZGRUSLSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1=CC[N@H+](C)CC1 ZINC000656336218 440774662 /nfs/dbraw/zinc/77/46/62/440774662.db2.gz XRXUFQZWNVTOEL-USXIJHARSA-N 1 3 348.491 0.886 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1=CC[N@@H+](C)CC1 ZINC000656336218 440774666 /nfs/dbraw/zinc/77/46/66/440774666.db2.gz XRXUFQZWNVTOEL-USXIJHARSA-N 1 3 348.491 0.886 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356838 440786724 /nfs/dbraw/zinc/78/67/24/440786724.db2.gz HGTJTLNRCSXWLO-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356838 440786730 /nfs/dbraw/zinc/78/67/30/440786730.db2.gz HGTJTLNRCSXWLO-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656359158 440790129 /nfs/dbraw/zinc/79/01/29/440790129.db2.gz OFDYAOMVVFHEFV-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)[NH+](C)C ZINC000635254247 440796634 /nfs/dbraw/zinc/79/66/34/440796634.db2.gz AMWCZVBNNXQSQV-GFCCVEGCSA-N 1 3 333.436 0.983 20 0 ECADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC000645624804 440870863 /nfs/dbraw/zinc/87/08/63/440870863.db2.gz FURDJGOOMLJZAX-ZBFHGGJFSA-N 1 3 330.432 0.849 20 0 ECADHO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@@H](N2CCCC2)C1 ZINC000645635268 440877499 /nfs/dbraw/zinc/87/74/99/440877499.db2.gz MQKXUIKNIKJGQQ-LSDHHAIUSA-N 1 3 332.452 0.731 20 0 ECADHO CN(CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)CC(C)(C)C ZINC000635557637 440902503 /nfs/dbraw/zinc/90/25/03/440902503.db2.gz AYLPKAYAHHITFM-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO CC(C)[C@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@H](C)[NH3+] ZINC000646075322 440987719 /nfs/dbraw/zinc/98/77/19/440987719.db2.gz BFDSBOLQWBCSNA-WFASDCNBSA-N 1 3 338.456 0.119 20 0 ECADHO CC[C@H](NC(C)=O)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000630880009 440974261 /nfs/dbraw/zinc/97/42/61/440974261.db2.gz PDKWJHHFICMHNJ-CVEARBPZSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](NC(C)=O)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000630880009 440974267 /nfs/dbraw/zinc/97/42/67/440974267.db2.gz PDKWJHHFICMHNJ-CVEARBPZSA-N 1 3 326.485 0.776 20 0 ECADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cccc2c1CNC2 ZINC000662560824 441070604 /nfs/dbraw/zinc/07/06/04/441070604.db2.gz HWGSLICBVFOTLK-CQSZACIVSA-N 1 3 330.432 0.750 20 0 ECADHO CCN1CCN(CCCNC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662384879 441024847 /nfs/dbraw/zinc/02/48/47/441024847.db2.gz ZVJZFYYCGYFDLH-UHFFFAOYSA-N 1 3 349.479 0.899 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652182022 441026378 /nfs/dbraw/zinc/02/63/78/441026378.db2.gz XWORVWKFNWKORF-HRCADAONSA-N 1 3 342.484 0.493 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662444001 441040551 /nfs/dbraw/zinc/04/05/51/441040551.db2.gz CWMOPCKGKCMUCB-UHFFFAOYSA-N 1 3 344.459 0.916 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662437674 441040606 /nfs/dbraw/zinc/04/06/06/441040606.db2.gz GWUPMJQVRRONAQ-AWEZNQCLSA-N 1 3 330.432 0.607 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662437674 441040615 /nfs/dbraw/zinc/04/06/15/441040615.db2.gz GWUPMJQVRRONAQ-AWEZNQCLSA-N 1 3 330.432 0.607 20 0 ECADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000646433279 441061256 /nfs/dbraw/zinc/06/12/56/441061256.db2.gz RHMVUULVLKFQRA-CJNGLKHVSA-N 1 3 332.448 0.592 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)NCCN2CCCCC2)CC1 ZINC000175559771 320519439 /nfs/dbraw/zinc/51/94/39/320519439.db2.gz SJZQUCVJSXAKKO-UHFFFAOYSA-N 1 3 325.501 0.798 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000340213655 321023046 /nfs/dbraw/zinc/02/30/46/321023046.db2.gz CUWUFFDIIZKQDL-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000340258988 321031163 /nfs/dbraw/zinc/03/11/63/321031163.db2.gz JETIQQDFRXGIOW-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000340258988 321031165 /nfs/dbraw/zinc/03/11/65/321031165.db2.gz JETIQQDFRXGIOW-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000340322451 321034807 /nfs/dbraw/zinc/03/48/07/321034807.db2.gz DNHIQBYQFGNEHZ-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)N(C)C1CC1 ZINC000342054172 321074003 /nfs/dbraw/zinc/07/40/03/321074003.db2.gz IZKZYEDOPCHDCO-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000343141356 321124564 /nfs/dbraw/zinc/12/45/64/321124564.db2.gz HCLAPXJJBMVEGJ-KFWWJZLASA-N 1 3 326.485 0.679 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000343634109 321140525 /nfs/dbraw/zinc/14/05/25/321140525.db2.gz GBPAODYAYHRBHW-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCCCCC1 ZINC000346058438 321212453 /nfs/dbraw/zinc/21/24/53/321212453.db2.gz MUWQQRFURIHZRE-HZPDHXFCSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCCCCC1 ZINC000346058438 321212454 /nfs/dbraw/zinc/21/24/54/321212454.db2.gz MUWQQRFURIHZRE-HZPDHXFCSA-N 1 3 338.496 0.955 20 0 ECADHO O[C@@H](CN1CCOCC1)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348324241 321272976 /nfs/dbraw/zinc/27/29/76/321272976.db2.gz RSQJPZRVTMUTDK-ZCNNSNEGSA-N 1 3 345.487 0.743 20 0 ECADHO O[C@@H](CN1CCOCC1)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348324241 321272977 /nfs/dbraw/zinc/27/29/77/321272977.db2.gz RSQJPZRVTMUTDK-ZCNNSNEGSA-N 1 3 345.487 0.743 20 0 ECADHO CN(Cc1ccc(C[N@H+](C)[C@H]2COC[C@H]2O)cc1)[C@@H]1COC[C@@H]1O ZINC000352802729 321373356 /nfs/dbraw/zinc/37/33/56/321373356.db2.gz WJDZKJZFLZEBAN-FZDBZEDMSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccc(C[N@@H+](C)[C@H]2COC[C@H]2O)cc1)[C@@H]1COC[C@@H]1O ZINC000352802729 321373358 /nfs/dbraw/zinc/37/33/58/321373358.db2.gz WJDZKJZFLZEBAN-FZDBZEDMSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccc(C[N@H+](C)[C@@H]2COC[C@@H]2O)cc1)[C@H]1COC[C@H]1O ZINC000352802729 321373360 /nfs/dbraw/zinc/37/33/60/321373360.db2.gz WJDZKJZFLZEBAN-FZDBZEDMSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)cc1)[C@H]1COC[C@H]1O ZINC000352802729 321373362 /nfs/dbraw/zinc/37/33/62/321373362.db2.gz WJDZKJZFLZEBAN-FZDBZEDMSA-N 1 3 336.432 0.070 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)C(C)(C)C[NH+](C)C ZINC000358830664 321576475 /nfs/dbraw/zinc/57/64/75/321576475.db2.gz QQFJSFVWGDLCLF-ZIAGYGMSSA-N 1 3 326.485 0.632 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000526912485 322000548 /nfs/dbraw/zinc/00/05/48/322000548.db2.gz VHDCHQOMYNKHHB-IEBWSBKVSA-N 1 3 346.475 0.874 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000526912485 322000549 /nfs/dbraw/zinc/00/05/49/322000549.db2.gz VHDCHQOMYNKHHB-IEBWSBKVSA-N 1 3 346.475 0.874 20 0 ECADHO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000532790162 322061252 /nfs/dbraw/zinc/06/12/52/322061252.db2.gz GBMNKXFXPMJEPU-AEFFLSMTSA-N 1 3 334.464 0.722 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000545883745 322111093 /nfs/dbraw/zinc/11/10/93/322111093.db2.gz ZRYRWBDTXFJVSX-DOTOQJQBSA-N 1 3 326.485 0.720 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000545883745 322111096 /nfs/dbraw/zinc/11/10/96/322111096.db2.gz ZRYRWBDTXFJVSX-DOTOQJQBSA-N 1 3 326.485 0.720 20 0 ECADHO CCO[C@H]1COCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000546121843 322116486 /nfs/dbraw/zinc/11/64/86/322116486.db2.gz LFXWWOJVEJLOFG-GJZGRUSLSA-N 1 3 330.473 0.315 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000562815860 322285605 /nfs/dbraw/zinc/28/56/05/322285605.db2.gz FMPHZPMJBAKQMS-FUHWJXTLSA-N 1 3 343.475 0.563 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000563139893 322300522 /nfs/dbraw/zinc/30/05/22/322300522.db2.gz LBHIZIMEOCYFFJ-DLBZAZTESA-N 1 3 348.491 0.770 20 0 ECADHO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)CN1CCN(C)CC1 ZINC000563385242 322313343 /nfs/dbraw/zinc/31/33/43/322313343.db2.gz SWDQVJAYDFJRDM-HNNXBMFYSA-N 1 3 336.484 0.058 20 0 ECADHO CN1CCN(c2cc(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)ccn2)CC1 ZINC000566089698 322499084 /nfs/dbraw/zinc/49/90/84/322499084.db2.gz LDBOJKMESPHTFF-PKOBYXMFSA-N 1 3 345.491 0.690 20 0 ECADHO C[NH+](C)CCc1ccccc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566504562 322539833 /nfs/dbraw/zinc/53/98/33/322539833.db2.gz KOMLAJMXJLWORI-CABCVRRESA-N 1 3 345.447 0.566 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN[C@H](C)[C@H]2C)CC1 ZINC000566507683 322540131 /nfs/dbraw/zinc/54/01/31/322540131.db2.gz LFMVLOVJHFCULL-ZIAGYGMSSA-N 1 3 339.484 0.369 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000566724271 322550655 /nfs/dbraw/zinc/55/06/55/322550655.db2.gz DUGJMANNDOJOGY-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572850900 322752254 /nfs/dbraw/zinc/75/22/54/322752254.db2.gz VFXWVODQMVGYEO-CQSZACIVSA-N 1 3 335.452 0.782 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000576814998 322816677 /nfs/dbraw/zinc/81/66/77/322816677.db2.gz PXEWGQZYFZBPNL-CRAIPNDOSA-N 1 3 334.464 0.285 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000577214562 322828654 /nfs/dbraw/zinc/82/86/54/322828654.db2.gz KZWBNQUBOZGADS-BZUAXINKSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)N1CCC(C)CC1 ZINC000578122496 322855314 /nfs/dbraw/zinc/85/53/14/322855314.db2.gz XOKKTDISOYIZPI-FXUDXRNXSA-N 1 3 336.480 0.419 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000310995009 545988456 /nfs/dbraw/zinc/98/84/56/545988456.db2.gz ILFFJFDVISLDLZ-INIZCTEOSA-N 1 3 342.447 0.879 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000343002447 546091406 /nfs/dbraw/zinc/09/14/06/546091406.db2.gz BMCODEMSJBZYCZ-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621838256 546571152 /nfs/dbraw/zinc/57/11/52/546571152.db2.gz AULAJDFPWPNNRL-IIDMSEBBSA-N 1 3 336.480 0.707 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028486 546610445 /nfs/dbraw/zinc/61/04/45/546610445.db2.gz RAJSJQFWQMVJOQ-RDTXWAMCSA-N 1 3 334.464 0.413 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)C2)C1 ZINC000622031026 546611884 /nfs/dbraw/zinc/61/18/84/546611884.db2.gz FSJBJAAOXZGABH-WBAXXEDZSA-N 1 3 334.464 0.271 20 0 ECADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000666978836 547471461 /nfs/dbraw/zinc/47/14/61/547471461.db2.gz GMIPOERJUDJBJT-USXIJHARSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000666978836 547471464 /nfs/dbraw/zinc/47/14/64/547471464.db2.gz GMIPOERJUDJBJT-USXIJHARSA-N 1 3 336.480 0.975 20 0 ECADHO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CC2)cc1 ZINC000667362279 547505283 /nfs/dbraw/zinc/50/52/83/547505283.db2.gz XPFUYFHNNMOBBM-INIZCTEOSA-N 1 3 348.447 0.809 20 0 ECADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000667404187 547516421 /nfs/dbraw/zinc/51/64/21/547516421.db2.gz FGVUVNVWRVKUOT-BBRMVZONSA-N 1 3 348.447 0.570 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000668672312 547720509 /nfs/dbraw/zinc/72/05/09/547720509.db2.gz NCAVCLMGYJZLGR-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)NC[C@@H](C)[NH3+])CC1 ZINC000669236505 547857312 /nfs/dbraw/zinc/85/73/12/547857312.db2.gz OMPADPQLBKAICN-OAHLLOKOSA-N 1 3 333.480 0.971 20 0 ECADHO CN1CCC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000669402938 547886159 /nfs/dbraw/zinc/88/61/59/547886159.db2.gz BEICQFXDRWCZMS-NWDGAFQWSA-N 1 3 337.390 0.216 20 0 ECADHO CCC[C@H]1CNCCN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000669484236 547895317 /nfs/dbraw/zinc/89/53/17/547895317.db2.gz LIPKWVRDBPHXPN-RDJZCZTQSA-N 1 3 337.512 0.938 20 0 ECADHO CCC[C@H]1CNCCN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669484236 547895320 /nfs/dbraw/zinc/89/53/20/547895320.db2.gz LIPKWVRDBPHXPN-RDJZCZTQSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C1CC[NH+](C)CC1 ZINC000670433299 548008585 /nfs/dbraw/zinc/00/85/85/548008585.db2.gz RAEOTYVAADMTHM-IMJJTQAJSA-N 1 3 336.480 0.528 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000670431085 548008718 /nfs/dbraw/zinc/00/87/18/548008718.db2.gz RGUALYSTPYWXNH-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000670431085 548008721 /nfs/dbraw/zinc/00/87/21/548008721.db2.gz RGUALYSTPYWXNH-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C1CC1 ZINC000670442117 548011496 /nfs/dbraw/zinc/01/14/96/548011496.db2.gz MNUXEBMXLIEXOC-CTASWTNQSA-N 1 3 334.464 0.423 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C1CC1 ZINC000670442117 548011498 /nfs/dbraw/zinc/01/14/98/548011498.db2.gz MNUXEBMXLIEXOC-CTASWTNQSA-N 1 3 334.464 0.423 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000670983956 548075863 /nfs/dbraw/zinc/07/58/63/548075863.db2.gz CRRYQVRAMIBOBL-GDBMZVCRSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000670983956 548075866 /nfs/dbraw/zinc/07/58/66/548075866.db2.gz CRRYQVRAMIBOBL-GDBMZVCRSA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100085 548091495 /nfs/dbraw/zinc/09/14/95/548091495.db2.gz JVLOXSLHJHHDLB-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100085 548091499 /nfs/dbraw/zinc/09/14/99/548091499.db2.gz JVLOXSLHJHHDLB-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671181180 548106506 /nfs/dbraw/zinc/10/65/06/548106506.db2.gz UTLBRJYULLDCOY-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671181180 548106508 /nfs/dbraw/zinc/10/65/08/548106508.db2.gz UTLBRJYULLDCOY-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672011379 548254943 /nfs/dbraw/zinc/25/49/43/548254943.db2.gz RXAJIMKFYNNTIA-GDBMZVCRSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672310687 548308018 /nfs/dbraw/zinc/30/80/18/548308018.db2.gz DBQGUSITPMWMJN-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672310687 548308021 /nfs/dbraw/zinc/30/80/21/548308021.db2.gz DBQGUSITPMWMJN-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000677896082 548968424 /nfs/dbraw/zinc/96/84/24/548968424.db2.gz INEPTAUPDKIWJT-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO CN1CC[NH+](CC2CCN(C(=O)N[C@H]3CCCN(C)C3)CC2)CC1 ZINC000683375127 549483210 /nfs/dbraw/zinc/48/32/10/549483210.db2.gz WYRFCRRUCUBARD-KRWDZBQOSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H](Cc1ccco1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000787933327 578822310 /nfs/dbraw/zinc/82/23/10/578822310.db2.gz OTLRJWPGVVNQFH-CQSZACIVSA-N 1 3 338.452 0.279 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793696098 578935339 /nfs/dbraw/zinc/93/53/39/578935339.db2.gz FHBBUIWWCDNJTL-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=S)NC1CC[NH+](C)CC1 ZINC000769761448 579151229 /nfs/dbraw/zinc/15/12/29/579151229.db2.gz YXCLORYXLCHFGX-CQSZACIVSA-N 1 3 327.542 0.571 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000774182311 579242330 /nfs/dbraw/zinc/24/23/30/579242330.db2.gz YMZIDFHAANJSQI-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000774182311 579242331 /nfs/dbraw/zinc/24/23/31/579242331.db2.gz YMZIDFHAANJSQI-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCCN1CCC(O)CC1 ZINC000761575507 579529897 /nfs/dbraw/zinc/52/98/97/579529897.db2.gz XQKQPGUKWFQYCB-KRWDZBQOSA-N 1 3 341.496 0.743 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747557833 579853096 /nfs/dbraw/zinc/85/30/96/579853096.db2.gz RCWQNWATBKGYGN-HNNXBMFYSA-N 1 3 338.456 0.677 20 0 ECADHO [NH3+]CCOc1cccc(NC(=O)C(=O)NCCN2CCCCCC2)c1 ZINC000841008367 588976128 /nfs/dbraw/zinc/97/61/28/588976128.db2.gz ZAOIADHUHQLILY-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841107650 588978126 /nfs/dbraw/zinc/97/81/26/588978126.db2.gz JXHADCHZUYFCNZ-CQSZACIVSA-N 1 3 348.447 0.953 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000104533573 589003563 /nfs/dbraw/zinc/00/35/63/589003563.db2.gz ZLDCOJQBJMKGDZ-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000841941687 589006475 /nfs/dbraw/zinc/00/64/75/589006475.db2.gz OPGPGSKNTUQOPU-AEFFLSMTSA-N 1 3 332.448 0.627 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000842188776 589019265 /nfs/dbraw/zinc/01/92/65/589019265.db2.gz KIPSXUDJBKPXTQ-GOSISDBHSA-N 1 3 332.448 0.350 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000842201088 589020113 /nfs/dbraw/zinc/02/01/13/589020113.db2.gz HEQAUTQCTWLFDF-QGZVFWFLSA-N 1 3 344.459 0.405 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000842226307 589022277 /nfs/dbraw/zinc/02/22/77/589022277.db2.gz OADHENSDNLWNIW-MRXNPFEDSA-N 1 3 332.448 0.097 20 0 ECADHO CN(C)CCOc1ccc(CCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000891514217 586172836 /nfs/dbraw/zinc/17/28/36/586172836.db2.gz OFLYNBMNVSUPOJ-HOTGVXAUSA-N 1 3 332.448 0.925 20 0 ECADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CCN(CC2CC2)C1 ZINC000891575101 586178804 /nfs/dbraw/zinc/17/88/04/586178804.db2.gz DMYPIVYNQCAZSF-HOTGVXAUSA-N 1 3 336.480 0.929 20 0 ECADHO CN(C)[C@]1(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000891641700 586184353 /nfs/dbraw/zinc/18/43/53/586184353.db2.gz PVXLJYDXDMQWBX-YPMHNXCESA-N 1 3 336.452 0.968 20 0 ECADHO CN1CCN(CCNC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1(C)C ZINC000891881196 586203140 /nfs/dbraw/zinc/20/31/40/586203140.db2.gz UBYJTPXTTKIQRB-OAHLLOKOSA-N 1 3 325.501 0.925 20 0 ECADHO CN1CCN(C2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)CC1 ZINC000892091130 586220785 /nfs/dbraw/zinc/22/07/85/586220785.db2.gz ITNYHRGDZPYHBK-KRWDZBQOSA-N 1 3 337.512 0.925 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000892090494 586220821 /nfs/dbraw/zinc/22/08/21/586220821.db2.gz ALSDPXXOWKNCHV-GOEBONIOSA-N 1 3 326.485 0.984 20 0 ECADHO CN1CC[C@@]2(CCN(C(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)C1 ZINC000892759462 586288462 /nfs/dbraw/zinc/28/84/62/586288462.db2.gz ONIUIPPNHBVGOG-MAUKXSAKSA-N 1 3 336.480 0.882 20 0 ECADHO CS[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1N(C)C ZINC000897237430 586290449 /nfs/dbraw/zinc/29/04/49/586290449.db2.gz INKBMVZTSXUYPW-HUUCEWRRSA-N 1 3 327.494 0.601 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897421687 586312659 /nfs/dbraw/zinc/31/26/59/586312659.db2.gz MAFSRSLLVPDMDE-HNNXBMFYSA-N 1 3 338.496 0.239 20 0 ECADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000897469985 586327595 /nfs/dbraw/zinc/32/75/95/586327595.db2.gz VGFYSQNSRBZQBL-MRXNPFEDSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000897469985 586327597 /nfs/dbraw/zinc/32/75/97/586327597.db2.gz VGFYSQNSRBZQBL-MRXNPFEDSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000897518069 586337571 /nfs/dbraw/zinc/33/75/71/586337571.db2.gz CATZFYKQZJLXIJ-ZIAGYGMSSA-N 1 3 325.457 0.232 20 0 ECADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000897518069 586337573 /nfs/dbraw/zinc/33/75/73/586337573.db2.gz CATZFYKQZJLXIJ-ZIAGYGMSSA-N 1 3 325.457 0.232 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897551085 586342541 /nfs/dbraw/zinc/34/25/41/586342541.db2.gz GIFQYKNIZQUKET-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897551085 586342543 /nfs/dbraw/zinc/34/25/43/586342543.db2.gz GIFQYKNIZQUKET-KRWDZBQOSA-N 1 3 339.528 0.997 20 0 ECADHO C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000897567808 586345562 /nfs/dbraw/zinc/34/55/62/586345562.db2.gz NGVPBUMRGSSWRW-ZACQAIPSSA-N 1 3 338.496 0.959 20 0 ECADHO C[N@H+]1CCCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000897567808 586345563 /nfs/dbraw/zinc/34/55/63/586345563.db2.gz NGVPBUMRGSSWRW-ZACQAIPSSA-N 1 3 338.496 0.959 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894925829 586419530 /nfs/dbraw/zinc/41/95/30/586419530.db2.gz OUSQXXNRHFRRNQ-JYJNAYRXSA-N 1 3 326.485 0.956 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894925829 586419532 /nfs/dbraw/zinc/41/95/32/586419532.db2.gz OUSQXXNRHFRRNQ-JYJNAYRXSA-N 1 3 326.485 0.956 20 0 ECADHO NC(=O)COc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000843125334 589051863 /nfs/dbraw/zinc/05/18/63/589051863.db2.gz SNWGCCYFDAWPRZ-AEFFLSMTSA-N 1 3 333.432 0.879 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023136 586519012 /nfs/dbraw/zinc/51/90/12/586519012.db2.gz HFNOPRPZFWCDSE-UHFFFAOYSA-N 1 3 348.495 0.298 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900622535 586648988 /nfs/dbraw/zinc/64/89/88/586648988.db2.gz FBFUEUVZEBHFID-GOSISDBHSA-N 1 3 341.496 0.839 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900622535 586648990 /nfs/dbraw/zinc/64/89/90/586648990.db2.gz FBFUEUVZEBHFID-GOSISDBHSA-N 1 3 341.496 0.839 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900686566 586656482 /nfs/dbraw/zinc/65/64/82/586656482.db2.gz NDRHNZMNAWHRQP-OAHLLOKOSA-N 1 3 336.484 0.201 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000900725134 586659081 /nfs/dbraw/zinc/65/90/81/586659081.db2.gz HJPLRFRGHQREJT-INIZCTEOSA-N 1 3 348.495 0.297 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000900725134 586659083 /nfs/dbraw/zinc/65/90/83/586659083.db2.gz HJPLRFRGHQREJT-INIZCTEOSA-N 1 3 348.495 0.297 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000901079026 586690099 /nfs/dbraw/zinc/69/00/99/586690099.db2.gz UIZANAFJFCTDCF-MRXNPFEDSA-N 1 3 349.479 0.772 20 0 ECADHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)C12CCN(CC1)C2 ZINC000907573807 586738513 /nfs/dbraw/zinc/73/85/13/586738513.db2.gz DDEQXNJJIQLNRN-UHFFFAOYSA-N 1 3 334.464 0.143 20 0 ECADHO CN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)C1CCC([NH3+])CC1 ZINC000843355729 589063317 /nfs/dbraw/zinc/06/33/17/589063317.db2.gz VRLSAPBSFSXWED-UHFFFAOYSA-N 1 3 347.398 0.942 20 0 ECADHO CC(C)(C)n1nnc(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000903506208 586778598 /nfs/dbraw/zinc/77/85/98/586778598.db2.gz OYTDWVKFIFFBES-IYBDPMFKSA-N 1 3 347.511 0.871 20 0 ECADHO CC(C)(C)n1nnc(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000903506208 586778599 /nfs/dbraw/zinc/77/85/99/586778599.db2.gz OYTDWVKFIFFBES-IYBDPMFKSA-N 1 3 347.511 0.871 20 0 ECADHO CC(C)(C)n1nnc(CCN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000903506208 586778601 /nfs/dbraw/zinc/77/86/01/586778601.db2.gz OYTDWVKFIFFBES-IYBDPMFKSA-N 1 3 347.511 0.871 20 0 ECADHO CCCN(CCC)C(=O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493481 586779660 /nfs/dbraw/zinc/77/96/60/586779660.db2.gz YJABAPMEJAAPSO-VBQJREDUSA-N 1 3 325.453 0.847 20 0 ECADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](N)C(C)(C)C1 ZINC000903753134 586805301 /nfs/dbraw/zinc/80/53/01/586805301.db2.gz LODDTLJZXIRPNQ-CQSZACIVSA-N 1 3 326.485 0.763 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H]1C(F)(F)F ZINC000903736697 586805987 /nfs/dbraw/zinc/80/59/87/586805987.db2.gz ZLRUMUNCAPVTJY-IJLUTSLNSA-N 1 3 348.369 0.031 20 0 ECADHO CS(=O)(=O)NCC1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903755562 586811701 /nfs/dbraw/zinc/81/17/01/586811701.db2.gz JKIFYMLYESJNJA-HUUCEWRRSA-N 1 3 331.482 0.016 20 0 ECADHO CCOC(=O)CNC(=O)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903755763 586812092 /nfs/dbraw/zinc/81/20/92/586812092.db2.gz LIXPKXRYUBQCTL-AWEZNQCLSA-N 1 3 325.453 0.767 20 0 ECADHO CN(C[C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000903758776 586813128 /nfs/dbraw/zinc/81/31/28/586813128.db2.gz MJLGZGWMCYREHM-JYJNAYRXSA-N 1 3 345.509 0.358 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C[C@H]1N ZINC000903779195 586814817 /nfs/dbraw/zinc/81/48/17/586814817.db2.gz WSYOYLAPMXDDOR-CQSZACIVSA-N 1 3 345.447 0.362 20 0 ECADHO CN1CCC[C@@H](N2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000903893850 586823731 /nfs/dbraw/zinc/82/37/31/586823731.db2.gz ZWJGMJFLUWQPKB-DLBZAZTESA-N 1 3 347.511 0.414 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(Cn3ccnn3)CC2)cnn1C ZINC000903896930 586824307 /nfs/dbraw/zinc/82/43/07/586824307.db2.gz BPFISJCMEUGBJO-INIZCTEOSA-N 1 3 331.468 0.850 20 0 ECADHO CNC(=O)c1cccc(CCNCc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903926827 586826427 /nfs/dbraw/zinc/82/64/27/586826427.db2.gz UNKJRVJSDBIJAU-MRXNPFEDSA-N 1 3 342.447 0.895 20 0 ECADHO CNC(=O)c1cccc(CCNCc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903926526 586826463 /nfs/dbraw/zinc/82/64/63/586826463.db2.gz UNKJRVJSDBIJAU-INIZCTEOSA-N 1 3 342.447 0.895 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CCC[C@@H](N3CCCC3)C1)C2 ZINC000904996693 586856652 /nfs/dbraw/zinc/85/66/52/586856652.db2.gz XVRRUSBBAOBWOU-JJXSEGSLSA-N 1 3 334.464 0.411 20 0 ECADHO C[C@@H](Cn1ccnc1)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000905004648 586858204 /nfs/dbraw/zinc/85/82/04/586858204.db2.gz QFGYATIYWNFZPA-BHYGNILZSA-N 1 3 346.479 0.882 20 0 ECADHO C[C@@H](Cn1ccnc1)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000905004648 586858207 /nfs/dbraw/zinc/85/82/07/586858207.db2.gz QFGYATIYWNFZPA-BHYGNILZSA-N 1 3 346.479 0.882 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32CN)C1 ZINC000905011572 586861370 /nfs/dbraw/zinc/86/13/70/586861370.db2.gz XWGDPPZUDZPRRK-RLFYNMQTSA-N 1 3 336.480 0.517 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32CN)C1 ZINC000905011572 586861372 /nfs/dbraw/zinc/86/13/72/586861372.db2.gz XWGDPPZUDZPRRK-RLFYNMQTSA-N 1 3 336.480 0.517 20 0 ECADHO CN1CCN(CC2CCN(C(=O)CO[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000843486256 589071399 /nfs/dbraw/zinc/07/13/99/589071399.db2.gz CAVCOFOLFISREY-QGZVFWFLSA-N 1 3 338.496 0.241 20 0 ECADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)CC3(O)CCCC3)C2)CC1 ZINC000905110519 586871263 /nfs/dbraw/zinc/87/12/63/586871263.db2.gz QRUIRVMKCSAMMV-WBVHZDCISA-N 1 3 325.497 0.801 20 0 ECADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)CCC3(O)CCC3)C2)CC1 ZINC000905109679 586871303 /nfs/dbraw/zinc/87/13/03/586871303.db2.gz MZOAMHDLQOFKGM-RDJZCZTQSA-N 1 3 325.497 0.801 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC000905927861 586923203 /nfs/dbraw/zinc/92/32/03/586923203.db2.gz VIKPVXDUAOMVNA-MRXNPFEDSA-N 1 3 341.496 0.432 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906648459 586960883 /nfs/dbraw/zinc/96/08/83/586960883.db2.gz KYZXSSASJQQJTF-HNNXBMFYSA-N 1 3 348.447 0.653 20 0 ECADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN)CCO1 ZINC000906677366 586965266 /nfs/dbraw/zinc/96/52/66/586965266.db2.gz CCQUYTRJJLGBTP-HNNXBMFYSA-N 1 3 348.447 0.653 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)c(OCCN(C)C)c1 ZINC000906738213 586973175 /nfs/dbraw/zinc/97/31/75/586973175.db2.gz CILDIANQXIXTSU-HDJSIYSDSA-N 1 3 348.447 0.727 20 0 ECADHO CC[NH2+]CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000844185701 589100765 /nfs/dbraw/zinc/10/07/65/589100765.db2.gz RQILQPCZWKQYPV-UHFFFAOYSA-N 1 3 332.448 0.738 20 0 ECADHO CC[NH2+]CC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000844191430 589101803 /nfs/dbraw/zinc/10/18/03/589101803.db2.gz AVTRINVCSDJQFD-UHFFFAOYSA-N 1 3 334.464 0.885 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CC(C)(C)OC1=O ZINC000820086353 587508308 /nfs/dbraw/zinc/50/83/08/587508308.db2.gz ABIIIIOMGMKCDD-UONOGXRCSA-N 1 3 342.484 0.994 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CC(C)(C)OC1=O ZINC000820086353 587508310 /nfs/dbraw/zinc/50/83/10/587508310.db2.gz ABIIIIOMGMKCDD-UONOGXRCSA-N 1 3 342.484 0.994 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cnn(C)n1 ZINC000822952465 587693064 /nfs/dbraw/zinc/69/30/64/587693064.db2.gz RZRXSYGYLKMAAG-MRXNPFEDSA-N 1 3 336.484 0.622 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cnn(C)n1 ZINC000822952465 587693065 /nfs/dbraw/zinc/69/30/65/587693065.db2.gz RZRXSYGYLKMAAG-MRXNPFEDSA-N 1 3 336.484 0.622 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827220822 588105292 /nfs/dbraw/zinc/10/52/92/588105292.db2.gz VBPBHFWWEGUWPD-CVEARBPZSA-N 1 3 327.469 0.524 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827220822 588105293 /nfs/dbraw/zinc/10/52/93/588105293.db2.gz VBPBHFWWEGUWPD-CVEARBPZSA-N 1 3 327.469 0.524 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000827936715 588147702 /nfs/dbraw/zinc/14/77/02/588147702.db2.gz ULZASPSINWLMGC-ZHALLVOQSA-N 1 3 329.444 0.897 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000831916557 588456636 /nfs/dbraw/zinc/45/66/36/588456636.db2.gz RURKHDIXWFSCSW-MRXNPFEDSA-N 1 3 332.448 0.722 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000831916556 588456693 /nfs/dbraw/zinc/45/66/93/588456693.db2.gz RURKHDIXWFSCSW-INIZCTEOSA-N 1 3 332.448 0.722 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000846144953 589188613 /nfs/dbraw/zinc/18/86/13/589188613.db2.gz LHAHEMGTDOIHMD-CVEARBPZSA-N 1 3 340.468 0.260 20 0 ECADHO COCC[NH2+]C1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000846144955 589188691 /nfs/dbraw/zinc/18/86/91/589188691.db2.gz LHAHEMGTDOIHMD-HOTGVXAUSA-N 1 3 340.468 0.260 20 0 ECADHO C=CC(=O)NCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000847477390 589250483 /nfs/dbraw/zinc/25/04/83/589250483.db2.gz WXKJARUBMWFBEZ-UHFFFAOYSA-N 1 3 336.480 0.601 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000848616014 589303911 /nfs/dbraw/zinc/30/39/11/589303911.db2.gz FQEJNWAYUILGDZ-IIDMSEBBSA-N 1 3 334.464 0.474 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849524470 589339704 /nfs/dbraw/zinc/33/97/04/589339704.db2.gz IEAJTRFUICXACI-BBWFWOEESA-N 1 3 349.479 0.292 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849524470 589339707 /nfs/dbraw/zinc/33/97/07/589339707.db2.gz IEAJTRFUICXACI-BBWFWOEESA-N 1 3 349.479 0.292 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000851691309 589415306 /nfs/dbraw/zinc/41/53/06/589415306.db2.gz GVKYDQMXMFSTIN-HNNXBMFYSA-N 1 3 334.464 0.343 20 0 ECADHO [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)=NO1 ZINC000852887367 589522046 /nfs/dbraw/zinc/52/20/46/589522046.db2.gz LYOHGCGESACFFX-HOTGVXAUSA-N 1 3 346.431 0.497 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000855345761 589627645 /nfs/dbraw/zinc/62/76/45/589627645.db2.gz HYTMBKGNAPRSPT-JWJUJFCLSA-N 1 3 336.436 0.780 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000855345761 589627646 /nfs/dbraw/zinc/62/76/46/589627646.db2.gz HYTMBKGNAPRSPT-JWJUJFCLSA-N 1 3 336.436 0.780 20 0 ECADHO COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000855346303 589627765 /nfs/dbraw/zinc/62/77/65/589627765.db2.gz VSFHZSCOLQJZNJ-SOUVJXGZSA-N 1 3 327.469 0.964 20 0 ECADHO COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000855346303 589627767 /nfs/dbraw/zinc/62/77/67/589627767.db2.gz VSFHZSCOLQJZNJ-SOUVJXGZSA-N 1 3 327.469 0.964 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000857111615 589687000 /nfs/dbraw/zinc/68/70/00/589687000.db2.gz PYBZHNINIAQUHS-HOCLYGCPSA-N 1 3 349.479 0.312 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000861542335 589862099 /nfs/dbraw/zinc/86/20/99/589862099.db2.gz ODRFTOOMIFLAGV-CYBMUJFWSA-N 1 3 336.436 0.680 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868047855 589870883 /nfs/dbraw/zinc/87/08/83/589870883.db2.gz DHZCZVZZQCYHNT-DLBZAZTESA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868047855 589870885 /nfs/dbraw/zinc/87/08/85/589870885.db2.gz DHZCZVZZQCYHNT-DLBZAZTESA-N 1 3 337.512 0.750 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868238023 589883928 /nfs/dbraw/zinc/88/39/28/589883928.db2.gz NWIWALDMJWFYOD-JKSUJKDBSA-N 1 3 330.432 0.992 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000861751378 589886984 /nfs/dbraw/zinc/88/69/84/589886984.db2.gz RRRXTXMKASPEEB-YQQAZPJKSA-N 1 3 346.475 0.819 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000868302851 589890788 /nfs/dbraw/zinc/89/07/88/589890788.db2.gz NVNMLHSJNCKULU-OKILXGFUSA-N 1 3 348.447 0.727 20 0 ECADHO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000868567689 589914200 /nfs/dbraw/zinc/91/42/00/589914200.db2.gz WKSSQOMTZXCDAP-MELADBBJSA-N 1 3 342.484 0.992 20 0 ECADHO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000863580208 590024755 /nfs/dbraw/zinc/02/47/55/590024755.db2.gz FNFQWNACRJUKCL-HUUCEWRRSA-N 1 3 343.468 0.669 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000863752692 590033905 /nfs/dbraw/zinc/03/39/05/590033905.db2.gz WUHHVKHGODDLOR-HNNXBMFYSA-N 1 3 334.464 0.425 20 0 ECADHO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCCN2CC[C@H](O)C2)cc1 ZINC000863832581 590041508 /nfs/dbraw/zinc/04/15/08/590041508.db2.gz ARUHJMNGHMEZMH-AFCDSYGPSA-N 1 3 347.459 0.823 20 0 ECADHO NC[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000870998082 590044067 /nfs/dbraw/zinc/04/40/67/590044067.db2.gz UCKMOEPXRKVDNI-JJXSEGSLSA-N 1 3 344.415 0.122 20 0 ECADHO C[NH+](C)CC1(O)CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000864076114 590054808 /nfs/dbraw/zinc/05/48/08/590054808.db2.gz HSWSUMCDMJTSPO-UHFFFAOYSA-N 1 3 325.453 0.012 20 0 ECADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](CC)CC)CCO1 ZINC000871461552 590071504 /nfs/dbraw/zinc/07/15/04/590071504.db2.gz KDSCXKRJAXZKKK-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CCN(CC)CC(=O)N1CCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC000871461552 590071507 /nfs/dbraw/zinc/07/15/07/590071507.db2.gz KDSCXKRJAXZKKK-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000872146419 590097614 /nfs/dbraw/zinc/09/76/14/590097614.db2.gz NCEPBCRVTBTNRC-ANQUJSFKSA-N 1 3 327.469 0.089 20 0 ECADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000872146419 590097615 /nfs/dbraw/zinc/09/76/15/590097615.db2.gz NCEPBCRVTBTNRC-ANQUJSFKSA-N 1 3 327.469 0.089 20 0 ECADHO CC(C)CC[C@@H](N)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872253725 590107927 /nfs/dbraw/zinc/10/79/27/590107927.db2.gz FFUIQFSIEHXBHO-KFWWJZLASA-N 1 3 338.452 0.534 20 0 ECADHO O=C(N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1(NC2CC2)CCC1 ZINC000872305041 590112914 /nfs/dbraw/zinc/11/29/14/590112914.db2.gz RCKIKJVGENEIBH-MCIONIFRSA-N 1 3 334.420 0.055 20 0 ECADHO NC(=O)c1cn(C2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)nn1 ZINC000873211852 590187017 /nfs/dbraw/zinc/18/70/17/590187017.db2.gz CMDOCFZFCOWWPI-UHFFFAOYSA-N 1 3 346.460 0.921 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875061243 590266646 /nfs/dbraw/zinc/26/66/46/590266646.db2.gz YGWCHJLLWIUWNN-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000875061243 590266648 /nfs/dbraw/zinc/26/66/48/590266648.db2.gz YGWCHJLLWIUWNN-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CNC(=O)N1CC[N@H+](C)C(C)(C)CC1)CN1CCN(C)CC1 ZINC000875314091 590292230 /nfs/dbraw/zinc/29/22/30/590292230.db2.gz WJKAQZQUENBBAO-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)CN1CCN(C)CC1 ZINC000875314091 590292233 /nfs/dbraw/zinc/29/22/33/590292233.db2.gz WJKAQZQUENBBAO-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO COCCNCCNC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876792555 590415680 /nfs/dbraw/zinc/41/56/80/590415680.db2.gz RHCZEXCJBFHOCP-UHFFFAOYSA-N 1 3 326.466 0.884 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876866806 590420422 /nfs/dbraw/zinc/42/04/22/590420422.db2.gz XQUJLVMAVFMUIO-ZIAGYGMSSA-N 1 3 326.391 0.559 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)CC2(O)CCCC2)CC1 ZINC000878229919 590508321 /nfs/dbraw/zinc/50/83/21/590508321.db2.gz ABFZNRFLKIGDHT-MRXNPFEDSA-N 1 3 341.496 0.432 20 0 ECADHO C[NH+]1CCC(NC(=O)CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000878868761 590548004 /nfs/dbraw/zinc/54/80/04/590548004.db2.gz VVLXGQAWFAZYHX-NVXWUHKLSA-N 1 3 339.480 0.497 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885009072 590667847 /nfs/dbraw/zinc/66/78/47/590667847.db2.gz WFESGDVIORHUSE-MUJYYYPQSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885275769 590702048 /nfs/dbraw/zinc/70/20/48/590702048.db2.gz IEKQZFJRJCQNSD-CHWSQXEVSA-N 1 3 346.422 0.289 20 0 ECADHO O=C(NC1CCN(C2CC2)CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884183520 590765937 /nfs/dbraw/zinc/76/59/37/590765937.db2.gz PPTVDYULVICERN-UHFFFAOYSA-N 1 3 329.448 0.848 20 0 ECADHO C[NH2+]CCOc1ccccc1C(=O)NCCCN1CCC(O)CC1 ZINC000884189432 590768584 /nfs/dbraw/zinc/76/85/84/590768584.db2.gz GBGJAOAGCQIXET-UHFFFAOYSA-N 1 3 335.448 0.861 20 0 ECADHO C[NH+]1CCC(OCC(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000885895764 590779784 /nfs/dbraw/zinc/77/97/84/590779784.db2.gz MHOGTKXSIAOQTL-OAHLLOKOSA-N 1 3 325.453 0.467 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884618009 590873498 /nfs/dbraw/zinc/87/34/98/590873498.db2.gz VQPPRTLWKNQXAB-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000884631727 590878810 /nfs/dbraw/zinc/87/88/10/590878810.db2.gz VMLVSMNMCMXXND-CABCVRRESA-N 1 3 336.480 0.481 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CCN1c1ccncc1 ZINC000884691900 590898343 /nfs/dbraw/zinc/89/83/43/590898343.db2.gz XJYWYERNHNKBFA-HUUCEWRRSA-N 1 3 345.447 0.235 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884717733 590907059 /nfs/dbraw/zinc/90/70/59/590907059.db2.gz KHIBCXAKHJEMAJ-IJEWVQPXSA-N 1 3 345.447 0.233 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884720143 590908374 /nfs/dbraw/zinc/90/83/74/590908374.db2.gz GWADOSOTBQADOM-YCPHGPKFSA-N 1 3 345.447 0.233 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884723106 590910638 /nfs/dbraw/zinc/91/06/38/590910638.db2.gz YHOISHAQEZWKJS-KGLIPLIRSA-N 1 3 333.436 0.233 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884776627 590919862 /nfs/dbraw/zinc/91/98/62/590919862.db2.gz WPZFKENXROURJK-ZJIFWQFVSA-N 1 3 334.464 0.472 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884787258 590923521 /nfs/dbraw/zinc/92/35/21/590923521.db2.gz LYDNTRKLGBPXFR-IRXDYDNUSA-N 1 3 346.475 0.663 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884838701 590932360 /nfs/dbraw/zinc/93/23/60/590932360.db2.gz OBSZOPDRPGLDMW-MRXNPFEDSA-N 1 3 344.459 0.501 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)CC[C@H]1[NH3+] ZINC000887091565 590942248 /nfs/dbraw/zinc/94/22/48/590942248.db2.gz OBJHOFFIEMDZOL-IJEWVQPXSA-N 1 3 345.447 0.314 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000889032438 591038597 /nfs/dbraw/zinc/03/85/97/591038597.db2.gz HDACHJMHEJAAAD-GJZGRUSLSA-N 1 3 339.484 0.622 20 0 ECADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000889032438 591038600 /nfs/dbraw/zinc/03/86/00/591038600.db2.gz HDACHJMHEJAAAD-GJZGRUSLSA-N 1 3 339.484 0.622 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623522 611370512 /nfs/dbraw/zinc/37/05/12/611370512.db2.gz LHFQTTRKDTWMLZ-UXLLHSPISA-N 1 3 336.480 0.243 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623522 611370516 /nfs/dbraw/zinc/37/05/16/611370516.db2.gz LHFQTTRKDTWMLZ-UXLLHSPISA-N 1 3 336.480 0.243 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000929956595 611371587 /nfs/dbraw/zinc/37/15/87/611371587.db2.gz VFRHELBHIJTGHV-RLFYNMQTSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000929956595 611371592 /nfs/dbraw/zinc/37/15/92/611371592.db2.gz VFRHELBHIJTGHV-RLFYNMQTSA-N 1 3 336.480 0.387 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638655 611381440 /nfs/dbraw/zinc/38/14/40/611381440.db2.gz WLUPUFATOSUTEN-IYBDPMFKSA-N 1 3 348.491 0.518 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000930503107 611436057 /nfs/dbraw/zinc/43/60/57/611436057.db2.gz QCVJWTBCMWMUBQ-INIZCTEOSA-N 1 3 336.484 0.381 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000930503107 611436058 /nfs/dbraw/zinc/43/60/58/611436058.db2.gz QCVJWTBCMWMUBQ-INIZCTEOSA-N 1 3 336.484 0.381 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000930934971 611484336 /nfs/dbraw/zinc/48/43/36/611484336.db2.gz QWWKOKUTMXSUIG-UHFFFAOYSA-N 1 3 340.512 0.929 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000930934971 611484337 /nfs/dbraw/zinc/48/43/37/611484337.db2.gz QWWKOKUTMXSUIG-UHFFFAOYSA-N 1 3 340.512 0.929 20 0 ECADHO N[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)C12CCC2 ZINC000925544672 611486557 /nfs/dbraw/zinc/48/65/57/611486557.db2.gz UKFDLEKAODRDCD-HZPDHXFCSA-N 1 3 343.475 0.980 20 0 ECADHO N[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)C12CCC2 ZINC000925555420 611487123 /nfs/dbraw/zinc/48/71/23/611487123.db2.gz FWGXZBFXJKIWCJ-LSDHHAIUSA-N 1 3 344.463 0.375 20 0 ECADHO N[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)C12CCC2 ZINC000925555417 611487348 /nfs/dbraw/zinc/48/73/48/611487348.db2.gz FWGXZBFXJKIWCJ-CABCVRRESA-N 1 3 344.463 0.375 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000936915445 608732512 /nfs/dbraw/zinc/73/25/12/608732512.db2.gz ZDHUPSUKYMYPDQ-JKSUJKDBSA-N 1 3 348.491 0.768 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933852229 608777983 /nfs/dbraw/zinc/77/79/83/608777983.db2.gz JXQZMGMYRBHKLZ-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933852229 608777985 /nfs/dbraw/zinc/77/79/85/608777985.db2.gz JXQZMGMYRBHKLZ-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCN(CC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000928097026 611674016 /nfs/dbraw/zinc/67/40/16/611674016.db2.gz ULCNAMVUZFQIOV-LSDHHAIUSA-N 1 3 326.510 0.320 20 0 ECADHO CCN1CCN(CC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000928097026 611674019 /nfs/dbraw/zinc/67/40/19/611674019.db2.gz ULCNAMVUZFQIOV-LSDHHAIUSA-N 1 3 326.510 0.320 20 0 ECADHO CCO[C@H](CNC(=O)NCCN1CCC(OC)CC1)C[NH+](C)C ZINC000926838680 609044640 /nfs/dbraw/zinc/04/46/40/609044640.db2.gz FWFATWXCVTUYLX-OAHLLOKOSA-N 1 3 330.473 0.363 20 0 ECADHO CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CN2CCCC2)C1 ZINC000936084006 609070382 /nfs/dbraw/zinc/07/03/82/609070382.db2.gz NWJLPOMXYICGRY-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO Cc1cccc(NCCNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000920459255 609683570 /nfs/dbraw/zinc/68/35/70/609683570.db2.gz BEMSEXNOAFIHQY-OAHLLOKOSA-N 1 3 348.495 0.985 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000910732285 609754083 /nfs/dbraw/zinc/75/40/83/609754083.db2.gz YDGIHHDIVPZBNU-AWEZNQCLSA-N 1 3 326.485 0.585 20 0 ECADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000910831690 609768290 /nfs/dbraw/zinc/76/82/90/609768290.db2.gz YLFXXWFGEDUXRX-CQSZACIVSA-N 1 3 345.447 0.139 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000938402580 609779076 /nfs/dbraw/zinc/77/90/76/609779076.db2.gz YFHNFBQKIVYFLH-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO 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CCCCOC[C@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397471 611237929 /nfs/dbraw/zinc/23/79/29/611237929.db2.gz CANYTLRXYVFCTO-OAGGEKHMSA-N 1 3 341.452 0.421 20 0 ECADHO C[C@@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)CC[C@@H]1C[NH3+] ZINC000923498543 611251967 /nfs/dbraw/zinc/25/19/67/611251967.db2.gz ORUPXBIYORSFTG-HUUCEWRRSA-N 1 3 332.452 0.042 20 0 ECADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923611927 611329304 /nfs/dbraw/zinc/32/93/04/611329304.db2.gz ZDAPWYSEPBMEIX-HOTGVXAUSA-N 1 3 344.525 0.723 20 0 ECADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923611927 611329307 /nfs/dbraw/zinc/32/93/07/611329307.db2.gz ZDAPWYSEPBMEIX-HOTGVXAUSA-N 1 3 344.525 0.723 20 0 ECADHO CO[C@@H]1CC[C@@H]1N(C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000934126737 611770842 /nfs/dbraw/zinc/77/08/42/611770842.db2.gz KYUCXJDIMGZULG-OWCLPIDISA-N 1 3 327.469 0.569 20 0 ECADHO CO[C@@H]1CC[C@@H]1N(C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000934126737 611770843 /nfs/dbraw/zinc/77/08/43/611770843.db2.gz KYUCXJDIMGZULG-OWCLPIDISA-N 1 3 327.469 0.569 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@@H+]1C ZINC000949552411 612029840 /nfs/dbraw/zinc/02/98/40/612029840.db2.gz DTROPBUZMQFGTJ-CZUORRHYSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@H+]1C ZINC000949552411 612029842 /nfs/dbraw/zinc/02/98/42/612029842.db2.gz DTROPBUZMQFGTJ-CZUORRHYSA-N 1 3 347.463 0.647 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000951239429 612097894 /nfs/dbraw/zinc/09/78/94/612097894.db2.gz VXGPPMLUXBNURY-LSDHHAIUSA-N 1 3 334.464 0.140 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC000953171653 612190982 /nfs/dbraw/zinc/19/09/82/612190982.db2.gz ABVWFMNYZPVWDB-RDTXWAMCSA-N 1 3 345.447 0.355 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC000953171653 612190983 /nfs/dbraw/zinc/19/09/83/612190983.db2.gz ABVWFMNYZPVWDB-RDTXWAMCSA-N 1 3 345.447 0.355 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952149825 612249302 /nfs/dbraw/zinc/24/93/02/612249302.db2.gz ZHFFIURRJZLODM-ZIAGYGMSSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952149825 612249304 /nfs/dbraw/zinc/24/93/04/612249304.db2.gz ZHFFIURRJZLODM-ZIAGYGMSSA-N 1 3 333.436 0.401 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000952153665 612252647 /nfs/dbraw/zinc/25/26/47/612252647.db2.gz ZVUQDTDUTXIZKD-VNQPRFMTSA-N 1 3 347.463 0.790 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000952153665 612252649 /nfs/dbraw/zinc/25/26/49/612252649.db2.gz ZVUQDTDUTXIZKD-VNQPRFMTSA-N 1 3 347.463 0.790 20 0 ECADHO CN(C(=O)C12CCC[NH+](CCC1)C2)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954643593 612484067 /nfs/dbraw/zinc/48/40/67/612484067.db2.gz HFOPYBYHMXDTMR-UHFFFAOYSA-N 1 3 345.447 0.497 20 0 ECADHO CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CN(C(=O)CN2CCCC2)C1 ZINC000954651468 612493524 /nfs/dbraw/zinc/49/35/24/612493524.db2.gz GHAXQDGWARASPC-DOTOQJQBSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CN(C(=O)CN2CCCC2)C1 ZINC000954651468 612493530 /nfs/dbraw/zinc/49/35/30/612493530.db2.gz GHAXQDGWARASPC-DOTOQJQBSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000954096266 612655007 /nfs/dbraw/zinc/65/50/07/612655007.db2.gz LMEAZWLPXKGXFI-INIZCTEOSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000956255855 612803222 /nfs/dbraw/zinc/80/32/22/612803222.db2.gz IZCWCTYYRDLDGL-VHDGCEQUSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000956255855 612803223 /nfs/dbraw/zinc/80/32/23/612803223.db2.gz IZCWCTYYRDLDGL-VHDGCEQUSA-N 1 3 333.436 0.400 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000954325340 612856612 /nfs/dbraw/zinc/85/66/12/612856612.db2.gz HIYRABQHLFSAHP-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000954325340 612856614 /nfs/dbraw/zinc/85/66/14/612856614.db2.gz HIYRABQHLFSAHP-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000954325339 612856747 /nfs/dbraw/zinc/85/67/47/612856747.db2.gz HIYRABQHLFSAHP-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000954325339 612856749 /nfs/dbraw/zinc/85/67/49/612856749.db2.gz HIYRABQHLFSAHP-HZPDHXFCSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000956378155 612863198 /nfs/dbraw/zinc/86/31/98/612863198.db2.gz IKXOBWSDCSOOSF-CYBMUJFWSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000956378155 612863199 /nfs/dbraw/zinc/86/31/99/612863199.db2.gz IKXOBWSDCSOOSF-CYBMUJFWSA-N 1 3 333.436 0.401 20 0 ECADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)CN2CCCC2)C1 ZINC000954357681 612874687 /nfs/dbraw/zinc/87/46/87/612874687.db2.gz ZVHZLGCRIZRRMM-MRXNPFEDSA-N 1 3 334.464 0.093 20 0 ECADHO CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954384888 612887090 /nfs/dbraw/zinc/88/70/90/612887090.db2.gz DBUOHOQLFCDRRV-WBVHZDCISA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954384888 612887092 /nfs/dbraw/zinc/88/70/92/612887092.db2.gz DBUOHOQLFCDRRV-WBVHZDCISA-N 1 3 348.491 0.768 20 0 ECADHO Cn1cc(CN2CC[C@@]3(CCN(C(=O)C45CC[NH+](CC4)C5)C3)C2)cn1 ZINC001041789011 782211214 /nfs/dbraw/zinc/21/12/14/782211214.db2.gz MAKVNRRDGMWVRD-GOSISDBHSA-N 1 3 343.475 0.940 20 0 ECADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001024985428 738463002 /nfs/dbraw/zinc/46/30/02/738463002.db2.gz QNPCRSCHLKPRCF-LSDHHAIUSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CC[C@H](NC[C@@H]2CCCCN2C(=O)C23CCC[NH+]2CCC3)C1=O ZINC001025011071 738490682 /nfs/dbraw/zinc/49/06/82/738490682.db2.gz SWPMAZGOHUMYNJ-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC001167051457 731561089 /nfs/dbraw/zinc/56/10/89/731561089.db2.gz NEKREHGMBICSHR-HUUCEWRRSA-N 1 3 338.496 0.727 20 0 ECADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208457475 731799829 /nfs/dbraw/zinc/79/98/29/731799829.db2.gz WELZSKFPGHYKQS-OAHLLOKOSA-N 1 3 347.463 0.625 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CCc2ccnn2C)C1 ZINC000969698377 732058024 /nfs/dbraw/zinc/05/80/24/732058024.db2.gz CXQPZAQUKMBRMZ-JJRVBVJISA-N 1 3 333.480 0.739 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CCc2ccnn2C)C1 ZINC000969698377 732058030 /nfs/dbraw/zinc/05/80/30/732058030.db2.gz CXQPZAQUKMBRMZ-JJRVBVJISA-N 1 3 333.480 0.739 20 0 ECADHO CN1CCC[C@@H]([N@@H+]2CC[C@@]3(CCN(C(=O)CN4CCCC4)C3)C2)C1=O ZINC001041831544 782297007 /nfs/dbraw/zinc/29/70/07/782297007.db2.gz NPYBACULMSDIFX-VQIMIIECSA-N 1 3 348.491 0.627 20 0 ECADHO CN1CCC[C@@H]([N@H+]2CC[C@@]3(CCN(C(=O)CN4CCCC4)C3)C2)C1=O ZINC001041831544 782297015 /nfs/dbraw/zinc/29/70/15/782297015.db2.gz NPYBACULMSDIFX-VQIMIIECSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001167225763 733069315 /nfs/dbraw/zinc/06/93/15/733069315.db2.gz ZWNAYUQPWQOJQI-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1)C(=O)N(C)C ZINC001167225724 733069400 /nfs/dbraw/zinc/06/94/00/733069400.db2.gz YJENJJAWOMHXQK-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)NC(=O)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232990 733077383 /nfs/dbraw/zinc/07/73/83/733077383.db2.gz XEXRBSMGDDFJLM-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC001100444565 733133145 /nfs/dbraw/zinc/13/31/45/733133145.db2.gz QMQMONPQQFORGL-UYSNPLJNSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1C[NH+](CCCF)C1 ZINC000970190052 733154478 /nfs/dbraw/zinc/15/44/78/733154478.db2.gz KRWCIBMQPHGXHD-RXAYYZCOSA-N 1 3 325.428 0.646 20 0 ECADHO CC(C)(C)N1CC[C@H](N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000970494267 733612822 /nfs/dbraw/zinc/61/28/22/733612822.db2.gz ODZIQEIKYCFQRH-CABCVRRESA-N 1 3 348.491 0.672 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)C[C@H](C)OC)CC1 ZINC001098540708 733857537 /nfs/dbraw/zinc/85/75/37/733857537.db2.gz VWGJQYALCJXATN-HNNXBMFYSA-N 1 3 329.485 0.648 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)C[C@H](C)OC)CC1 ZINC001098540708 733857539 /nfs/dbraw/zinc/85/75/39/733857539.db2.gz VWGJQYALCJXATN-HNNXBMFYSA-N 1 3 329.485 0.648 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C1 ZINC000971203808 734357462 /nfs/dbraw/zinc/35/74/62/734357462.db2.gz HZSLYPDKNGQAFI-IRXDYDNUSA-N 1 3 344.459 0.912 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2)C1 ZINC000971203808 734357467 /nfs/dbraw/zinc/35/74/67/734357467.db2.gz HZSLYPDKNGQAFI-IRXDYDNUSA-N 1 3 344.459 0.912 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(CCc2cnn(C)c2)CC1 ZINC001006398528 751348647 /nfs/dbraw/zinc/34/86/47/751348647.db2.gz DNXQVYDBAPMMRU-MRXNPFEDSA-N 1 3 333.480 0.837 20 0 ECADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(CCc2cnn(C)c2)CC1 ZINC001006398528 751348653 /nfs/dbraw/zinc/34/86/53/751348653.db2.gz DNXQVYDBAPMMRU-MRXNPFEDSA-N 1 3 333.480 0.837 20 0 ECADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CNCc2cnnn2C)C1 ZINC001087208285 735744437 /nfs/dbraw/zinc/74/44/37/735744437.db2.gz XAQQVIIQFYORHI-ZBFHGGJFSA-N 1 3 348.495 0.874 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC000972331422 735957393 /nfs/dbraw/zinc/95/73/93/735957393.db2.gz KQSGLOXOUIPSHS-PBHICJAKSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC000972331422 735957396 /nfs/dbraw/zinc/95/73/96/735957396.db2.gz KQSGLOXOUIPSHS-PBHICJAKSA-N 1 3 348.495 0.912 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCn2nc(C)nc2C)C1)N(C)C ZINC000972354788 735998270 /nfs/dbraw/zinc/99/82/70/735998270.db2.gz PFBXYOXCGYXICA-HOTGVXAUSA-N 1 3 336.484 0.768 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCn2nc(C)nc2C)C1)N(C)C ZINC000972354788 735998273 /nfs/dbraw/zinc/99/82/73/735998273.db2.gz PFBXYOXCGYXICA-HOTGVXAUSA-N 1 3 336.484 0.768 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001167627517 736149004 /nfs/dbraw/zinc/14/90/04/736149004.db2.gz OYDPPXLNXUSANC-CQSZACIVSA-N 1 3 333.498 0.390 20 0 ECADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnccc2N(C)C)C1)c1nncn1C ZINC001022984893 736358367 /nfs/dbraw/zinc/35/83/67/736358367.db2.gz VCYMECXUSSEBHT-RWMBFGLXSA-N 1 3 343.435 0.888 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001023025161 736405781 /nfs/dbraw/zinc/40/57/81/736405781.db2.gz YDYWVJOBZDNIIJ-FRRDWIJNSA-N 1 3 329.408 0.276 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(=O)[n-]c(C4CC4)n3)C2)C1 ZINC001023086227 736479459 /nfs/dbraw/zinc/47/94/59/736479459.db2.gz FOQXAWPKJSHKSO-MCIONIFRSA-N 1 3 345.447 0.748 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(=O)[n-]c(C4CC4)n3)C2)C1 ZINC001023086227 736479460 /nfs/dbraw/zinc/47/94/60/736479460.db2.gz FOQXAWPKJSHKSO-MCIONIFRSA-N 1 3 345.447 0.748 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)c1 ZINC001023126399 736522226 /nfs/dbraw/zinc/52/22/26/736522226.db2.gz VFGIZNBTKPWGFD-XHSDSOJGSA-N 1 3 330.432 0.487 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067466714 737630071 /nfs/dbraw/zinc/63/00/71/737630071.db2.gz GKSKIFPCVRDYHK-HOTGVXAUSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067466714 737630072 /nfs/dbraw/zinc/63/00/72/737630072.db2.gz GKSKIFPCVRDYHK-HOTGVXAUSA-N 1 3 338.496 0.587 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001024157288 737788382 /nfs/dbraw/zinc/78/83/82/737788382.db2.gz YVFVIDQNWGBWMU-CVEARBPZSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001024157288 737788385 /nfs/dbraw/zinc/78/83/85/737788385.db2.gz YVFVIDQNWGBWMU-CVEARBPZSA-N 1 3 348.495 0.968 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001078228653 782527630 /nfs/dbraw/zinc/52/76/30/782527630.db2.gz ZCWBYXLOZHWXMX-ZTFGCOKTSA-N 1 3 347.459 0.560 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001078228653 782527640 /nfs/dbraw/zinc/52/76/40/782527640.db2.gz ZCWBYXLOZHWXMX-ZTFGCOKTSA-N 1 3 347.459 0.560 20 0 ECADHO CN(C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000988006659 751425583 /nfs/dbraw/zinc/42/55/83/751425583.db2.gz CQZVCHFLAPNQFS-CVEARBPZSA-N 1 3 336.480 0.341 20 0 ECADHO CN(C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000988006659 751425589 /nfs/dbraw/zinc/42/55/89/751425589.db2.gz CQZVCHFLAPNQFS-CVEARBPZSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000973466597 739336008 /nfs/dbraw/zinc/33/60/08/739336008.db2.gz SFEVLFKPUJJUBV-QKPAOTATSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973466597 739336014 /nfs/dbraw/zinc/33/60/14/739336014.db2.gz SFEVLFKPUJJUBV-QKPAOTATSA-N 1 3 336.480 0.576 20 0 ECADHO COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104641601 739350682 /nfs/dbraw/zinc/35/06/82/739350682.db2.gz WFASGKVGNKHKSX-QBPKDAKJSA-N 1 3 343.512 0.654 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104680047 739455923 /nfs/dbraw/zinc/45/59/23/739455923.db2.gz ONBDAUGKJVYTJT-ARFHVFGLSA-N 1 3 338.496 0.539 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001104690737 739489169 /nfs/dbraw/zinc/48/91/69/739489169.db2.gz JCJJIWQZLMONGB-FMKPAKJESA-N 1 3 336.484 0.730 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001104691872 739490590 /nfs/dbraw/zinc/49/05/90/739490590.db2.gz YKWDRNMGSSUGOX-OAGGEKHMSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000973550030 739513177 /nfs/dbraw/zinc/51/31/77/739513177.db2.gz SZOIELMUQLAUIF-KLHDSHLOSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000973550030 739513181 /nfs/dbraw/zinc/51/31/81/739513181.db2.gz SZOIELMUQLAUIF-KLHDSHLOSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](NC(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCCN(CC(N)=O)C1 ZINC001025473593 739628310 /nfs/dbraw/zinc/62/83/10/739628310.db2.gz GWCCAIDQEGJENK-JSGCOSHPSA-N 1 3 329.404 0.650 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCN2C(C)C)C1=O ZINC001025778804 739936706 /nfs/dbraw/zinc/93/67/06/739936706.db2.gz DBEYBHSMJIXUIT-ALYAQQCSSA-N 1 3 348.491 0.526 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCN2C(C)C)C1=O ZINC001025778804 739936709 /nfs/dbraw/zinc/93/67/09/739936709.db2.gz DBEYBHSMJIXUIT-ALYAQQCSSA-N 1 3 348.491 0.526 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001025809056 739976335 /nfs/dbraw/zinc/97/63/35/739976335.db2.gz WHGHSKMMOMPRJL-JKJDWNRSSA-N 1 3 334.464 0.138 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001025809056 739976337 /nfs/dbraw/zinc/97/63/37/739976337.db2.gz WHGHSKMMOMPRJL-JKJDWNRSSA-N 1 3 334.464 0.138 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001025850685 740020764 /nfs/dbraw/zinc/02/07/64/740020764.db2.gz ABXPZAQSVCRLMN-JKJDWNRSSA-N 1 3 334.464 0.042 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001025850685 740020767 /nfs/dbraw/zinc/02/07/67/740020767.db2.gz ABXPZAQSVCRLMN-JKJDWNRSSA-N 1 3 334.464 0.042 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC2(CC[NH+](CCO)CC2)O1 ZINC001098606626 740403208 /nfs/dbraw/zinc/40/32/08/740403208.db2.gz UDBOTMYWYMLARM-HNNXBMFYSA-N 1 3 339.480 0.545 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC2(CC[NH+](CCO)CC2)O1 ZINC001098606627 740403239 /nfs/dbraw/zinc/40/32/39/740403239.db2.gz UDBOTMYWYMLARM-OAHLLOKOSA-N 1 3 339.480 0.545 20 0 ECADHO Cn1cc(CC[NH2+][C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]32)cn1 ZINC001026366515 741067140 /nfs/dbraw/zinc/06/71/40/741067140.db2.gz MFAIKMDYTDMSSA-BHYGNILZSA-N 1 3 342.447 0.755 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001105066673 741284767 /nfs/dbraw/zinc/28/47/67/741284767.db2.gz BBMVDFIJKQGHKK-BZUAXINKSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000974327276 741327269 /nfs/dbraw/zinc/32/72/69/741327269.db2.gz SFEVLFKPUJJUBV-XUWVNRHRSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000974327276 741327274 /nfs/dbraw/zinc/32/72/74/741327274.db2.gz SFEVLFKPUJJUBV-XUWVNRHRSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243940 741543173 /nfs/dbraw/zinc/54/31/73/741543173.db2.gz LZWUZZOUTOUIRW-CZUORRHYSA-N 1 3 334.468 0.747 20 0 ECADHO CC(C)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243940 741543175 /nfs/dbraw/zinc/54/31/75/741543175.db2.gz LZWUZZOUTOUIRW-CZUORRHYSA-N 1 3 334.468 0.747 20 0 ECADHO COc1cncc(CNC2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001026605494 741606071 /nfs/dbraw/zinc/60/60/71/741606071.db2.gz QSISNNBTWFUCLJ-WLYUNCDWSA-N 1 3 347.463 0.954 20 0 ECADHO COc1cncc(CNC2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001026605494 741606074 /nfs/dbraw/zinc/60/60/74/741606074.db2.gz QSISNNBTWFUCLJ-WLYUNCDWSA-N 1 3 347.463 0.954 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)nn1 ZINC001026734240 741738419 /nfs/dbraw/zinc/73/84/19/741738419.db2.gz LRBPIOBETWZTEZ-UKRRQHHQSA-N 1 3 333.436 0.518 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001026734618 741740178 /nfs/dbraw/zinc/74/01/78/741740178.db2.gz QPMIORGHKNFNGB-UKRRQHHQSA-N 1 3 333.436 0.518 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC001026887976 742044762 /nfs/dbraw/zinc/04/47/62/742044762.db2.gz YWXLGZVTPZIBMI-MAUKXSAKSA-N 1 3 346.475 0.664 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)n1 ZINC001026920538 742087436 /nfs/dbraw/zinc/08/74/36/742087436.db2.gz CZWBPKXNOPDQKD-GOEBONIOSA-N 1 3 347.463 0.908 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cncc(OC)n2)C1)N(C)C ZINC001026916197 742091954 /nfs/dbraw/zinc/09/19/54/742091954.db2.gz DGFYZMKWGQWFLD-DZGCQCFKSA-N 1 3 335.452 0.764 20 0 ECADHO COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)n1 ZINC001027064200 742433055 /nfs/dbraw/zinc/43/30/55/742433055.db2.gz ZDPADCNHYJKTFC-GJZGRUSLSA-N 1 3 347.463 0.908 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001027091410 742525182 /nfs/dbraw/zinc/52/51/82/742525182.db2.gz MFLVOXNLTGTBQE-UONOGXRCSA-N 1 3 333.436 0.307 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001020519536 751748766 /nfs/dbraw/zinc/74/87/66/751748766.db2.gz LNDQVKVMTZCKOS-JOCQHMNTSA-N 1 3 332.408 0.520 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCCN(C)C3=O)CC2)C1 ZINC000997005718 743119348 /nfs/dbraw/zinc/11/93/48/743119348.db2.gz JJBVVTTUZMLZOU-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCCN(C)C3=O)CC2)C1 ZINC000997005715 743119460 /nfs/dbraw/zinc/11/94/60/743119460.db2.gz JJBVVTTUZMLZOU-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001029003787 743160387 /nfs/dbraw/zinc/16/03/87/743160387.db2.gz PWSRMXWARAYLRF-JKSUJKDBSA-N 1 3 334.468 0.591 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001029003787 743160389 /nfs/dbraw/zinc/16/03/89/743160389.db2.gz PWSRMXWARAYLRF-JKSUJKDBSA-N 1 3 334.468 0.591 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027215482 743186820 /nfs/dbraw/zinc/18/68/20/743186820.db2.gz JKVRGGOIXAGOIP-KGLIPLIRSA-N 1 3 333.436 0.375 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027215482 743186821 /nfs/dbraw/zinc/18/68/21/743186821.db2.gz JKVRGGOIXAGOIP-KGLIPLIRSA-N 1 3 333.436 0.375 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001027216602 743192816 /nfs/dbraw/zinc/19/28/16/743192816.db2.gz BOQHPJCNANPQQI-LSDHHAIUSA-N 1 3 332.452 0.299 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217569 743194260 /nfs/dbraw/zinc/19/42/60/743194260.db2.gz LZIQLQMKMTXULR-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001027217877 743195386 /nfs/dbraw/zinc/19/53/86/743195386.db2.gz RDOHGUYDLOCYKY-RDJZCZTQSA-N 1 3 348.491 0.674 20 0 ECADHO Cn1cc(CNC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)nn1 ZINC001027234491 743247293 /nfs/dbraw/zinc/24/72/93/743247293.db2.gz XPLTXGOYYSNQNI-HNNXBMFYSA-N 1 3 334.468 0.629 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000997238677 743392345 /nfs/dbraw/zinc/39/23/45/743392345.db2.gz PADWPIPGFTWIJN-HIFRSBDPSA-N 1 3 345.447 0.462 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000997238677 743392352 /nfs/dbraw/zinc/39/23/52/743392352.db2.gz PADWPIPGFTWIJN-HIFRSBDPSA-N 1 3 345.447 0.462 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000997243025 743399462 /nfs/dbraw/zinc/39/94/62/743399462.db2.gz RWSTYVAHOARBCL-ZBFHGGJFSA-N 1 3 345.447 0.605 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000997243025 743399469 /nfs/dbraw/zinc/39/94/69/743399469.db2.gz RWSTYVAHOARBCL-ZBFHGGJFSA-N 1 3 345.447 0.605 20 0 ECADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC000997301239 743464522 /nfs/dbraw/zinc/46/45/22/743464522.db2.gz CYZMIUWHRTXEHF-OAHLLOKOSA-N 1 3 332.452 0.442 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000997306666 743469496 /nfs/dbraw/zinc/46/94/96/743469496.db2.gz HVFKOPOPVOULQX-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC000997388059 743562073 /nfs/dbraw/zinc/56/20/73/743562073.db2.gz XEJQJQXXXHZGGO-HNNXBMFYSA-N 1 3 338.496 0.774 20 0 ECADHO CN1CCC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001020591335 751858868 /nfs/dbraw/zinc/85/88/68/751858868.db2.gz LEEJAIGQSVIFES-KKUMJFAQSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC000997844360 743848842 /nfs/dbraw/zinc/84/88/42/743848842.db2.gz NHFFVDPGFISVJL-CVEARBPZSA-N 1 3 338.496 0.679 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@H](C(F)(F)F)[C@H](NCCO)C2)CC1 ZINC000998282517 744097042 /nfs/dbraw/zinc/09/70/42/744097042.db2.gz AMYADBYGXIIMJM-QWHCGFSZSA-N 1 3 337.386 0.690 20 0 ECADHO COc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)c(C)n1 ZINC000998724483 744299102 /nfs/dbraw/zinc/29/91/02/744299102.db2.gz UEIWGNQTRPWPHC-JKSUJKDBSA-N 1 3 347.463 0.968 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)C1 ZINC000976761854 744302453 /nfs/dbraw/zinc/30/24/53/744302453.db2.gz TWAPZXVUUBNQJD-KMANFZQXSA-N 1 3 348.491 0.243 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000976871604 744429678 /nfs/dbraw/zinc/42/96/78/744429678.db2.gz QLJYLCMZSYWFQB-LJIGWXMPSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000976871604 744429679 /nfs/dbraw/zinc/42/96/79/744429679.db2.gz QLJYLCMZSYWFQB-LJIGWXMPSA-N 1 3 348.491 0.386 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@H]21 ZINC000976927815 744500057 /nfs/dbraw/zinc/50/00/57/744500057.db2.gz RADPUMUJDGZNIQ-FWGRZNJNSA-N 1 3 345.447 0.031 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@H]21 ZINC000976927815 744500060 /nfs/dbraw/zinc/50/00/60/744500060.db2.gz RADPUMUJDGZNIQ-FWGRZNJNSA-N 1 3 345.447 0.031 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC000999145296 744534621 /nfs/dbraw/zinc/53/46/21/744534621.db2.gz QHRRBWYJNDOOGL-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC000999145296 744534622 /nfs/dbraw/zinc/53/46/22/744534622.db2.gz QHRRBWYJNDOOGL-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO O=C(CN[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC000999167636 744545489 /nfs/dbraw/zinc/54/54/89/744545489.db2.gz BMWKGMZJZULVTE-HZPDHXFCSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H](C(N)=O)N(C)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480072 744724905 /nfs/dbraw/zinc/72/49/05/744724905.db2.gz XSRWVDMNAOYKRQ-JSGCOSHPSA-N 1 3 329.404 0.745 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC000999832257 744928041 /nfs/dbraw/zinc/92/80/41/744928041.db2.gz BKNZNZCBUAZPDF-WLYUNCDWSA-N 1 3 343.493 0.096 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999850936 744944878 /nfs/dbraw/zinc/94/48/78/744944878.db2.gz CCVJBCMKEQHZOF-XJKSGUPXSA-N 1 3 334.464 0.140 20 0 ECADHO Cn1nncc1CN[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999873066 744977724 /nfs/dbraw/zinc/97/77/24/744977724.db2.gz RWGLNFMNEAVLGX-CQSZACIVSA-N 1 3 334.468 0.770 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCC(C)CC2)C1 ZINC000999885343 745002778 /nfs/dbraw/zinc/00/27/78/745002778.db2.gz NVFYRRWWVVAXLO-GDBMZVCRSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCC(C)CC2)C1 ZINC000999885343 745002784 /nfs/dbraw/zinc/00/27/84/745002784.db2.gz NVFYRRWWVVAXLO-GDBMZVCRSA-N 1 3 336.480 0.243 20 0 ECADHO CC1(C)CCN(CC(=O)NC2CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000999895471 745027734 /nfs/dbraw/zinc/02/77/34/745027734.db2.gz CFNNOUSSEPDTQK-UHFFFAOYSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001029165845 745192913 /nfs/dbraw/zinc/19/29/13/745192913.db2.gz QQVCLKBFRFMBSS-AWEZNQCLSA-N 1 3 346.479 0.628 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001000533801 745572041 /nfs/dbraw/zinc/57/20/41/745572041.db2.gz TUMZPYQYRVCODP-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C[C@H]1CCN1C(=O)[C@H]1CCCN1C)C(=O)C1CC[NH+](C)CC1 ZINC000977928069 745682786 /nfs/dbraw/zinc/68/27/86/745682786.db2.gz RFUAOLYHXBGIMB-HZPDHXFCSA-N 1 3 336.480 0.482 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000709245 745713919 /nfs/dbraw/zinc/71/39/19/745713919.db2.gz IAZZNCFMMFQDAV-HNNXBMFYSA-N 1 3 346.479 0.783 20 0 ECADHO CC(C)N1CC[C@@H](N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000713253 745716280 /nfs/dbraw/zinc/71/62/80/745716280.db2.gz WIKMEYNPONIQLB-HZPDHXFCSA-N 1 3 348.491 0.672 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001020720168 752029555 /nfs/dbraw/zinc/02/95/55/752029555.db2.gz WPOBKTGVLAYDGE-KQTLUZQSSA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001020720168 752029559 /nfs/dbraw/zinc/02/95/59/752029559.db2.gz WPOBKTGVLAYDGE-KQTLUZQSSA-N 1 3 332.452 0.569 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC000978037538 745813503 /nfs/dbraw/zinc/81/35/03/745813503.db2.gz RWIHDQSGGASREQ-INIZCTEOSA-N 1 3 348.491 0.770 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000917637 745897389 /nfs/dbraw/zinc/89/73/89/745897389.db2.gz LRPRMIOYLWGACI-HUUCEWRRSA-N 1 3 334.468 0.639 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000917637 745897393 /nfs/dbraw/zinc/89/73/93/745897393.db2.gz LRPRMIOYLWGACI-HUUCEWRRSA-N 1 3 334.468 0.639 20 0 ECADHO COC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978237 745947689 /nfs/dbraw/zinc/94/76/89/745947689.db2.gz TYKZABLLLWMRCM-HCMQPCSISA-N 1 3 349.475 0.633 20 0 ECADHO COC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978237 745947692 /nfs/dbraw/zinc/94/76/92/745947692.db2.gz TYKZABLLLWMRCM-HCMQPCSISA-N 1 3 349.475 0.633 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001001152997 746119205 /nfs/dbraw/zinc/11/92/05/746119205.db2.gz VETYIDLNVKDNRG-DOTOQJQBSA-N 1 3 331.464 0.829 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001001152997 746119209 /nfs/dbraw/zinc/11/92/09/746119209.db2.gz VETYIDLNVKDNRG-DOTOQJQBSA-N 1 3 331.464 0.829 20 0 ECADHO CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978394564 746274766 /nfs/dbraw/zinc/27/47/66/746274766.db2.gz DGSXZXLQEXMNMC-XQLPTFJDSA-N 1 3 334.464 0.173 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001001584656 746514191 /nfs/dbraw/zinc/51/41/91/746514191.db2.gz HFZWYDCFPAUUDR-HNNXBMFYSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(CNCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)Nc1ccon1 ZINC001168030873 746525398 /nfs/dbraw/zinc/52/53/98/746525398.db2.gz SQUYKQWWIHUZSB-ZIAGYGMSSA-N 1 3 349.435 0.726 20 0 ECADHO O=C(CNCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)Nc1ccon1 ZINC001168030873 746525402 /nfs/dbraw/zinc/52/54/02/746525402.db2.gz SQUYKQWWIHUZSB-ZIAGYGMSSA-N 1 3 349.435 0.726 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001794600 746728943 /nfs/dbraw/zinc/72/89/43/746728943.db2.gz IZLYJCCXGOQQEU-CQSZACIVSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC000984697101 746850436 /nfs/dbraw/zinc/85/04/36/746850436.db2.gz NXVRPJZFBXPEFI-AULYBMBSSA-N 1 3 347.423 0.163 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984708457 746857991 /nfs/dbraw/zinc/85/79/91/746857991.db2.gz ZMWIWXLQZJSMGR-HOCLYGCPSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984708457 746857997 /nfs/dbraw/zinc/85/79/97/746857997.db2.gz ZMWIWXLQZJSMGR-HOCLYGCPSA-N 1 3 347.463 0.743 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC000984808695 746965213 /nfs/dbraw/zinc/96/52/13/746965213.db2.gz NSTOVNWGEWTDTN-RBSFLKMASA-N 1 3 336.480 0.481 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC000984809877 746966301 /nfs/dbraw/zinc/96/63/01/746966301.db2.gz SVIOPRWYLFACOO-DARAHFNDSA-N 1 3 347.463 0.667 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC000984809877 746966305 /nfs/dbraw/zinc/96/63/05/746966305.db2.gz SVIOPRWYLFACOO-DARAHFNDSA-N 1 3 347.463 0.667 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCC1CC[NH+](CCn2cncn2)CC1 ZINC001002159379 747039240 /nfs/dbraw/zinc/03/92/40/747039240.db2.gz RTWFIAMDINCJPP-KRWDZBQOSA-N 1 3 348.495 0.981 20 0 ECADHO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3CN(C)C)C[C@@H]2C1 ZINC001088083639 747297205 /nfs/dbraw/zinc/29/72/05/747297205.db2.gz BXRLQNXTPDKQBW-HIFRSBDPSA-N 1 3 348.447 0.481 20 0 ECADHO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3occc3CN(C)C)C[C@@H]2C1 ZINC001088083639 747297207 /nfs/dbraw/zinc/29/72/07/747297207.db2.gz BXRLQNXTPDKQBW-HIFRSBDPSA-N 1 3 348.447 0.481 20 0 ECADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN([C@H]4CCCNC4=O)C[C@H]3C2)CC1 ZINC001088090378 747348590 /nfs/dbraw/zinc/34/85/90/747348590.db2.gz KXOXMGKDSBKNTG-IKGGRYGDSA-N 1 3 348.491 0.387 20 0 ECADHO Cn1cc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)cn1 ZINC001088199248 747724310 /nfs/dbraw/zinc/72/43/10/747724310.db2.gz HTOYQGWCIUVALS-ZACQAIPSSA-N 1 3 331.464 0.652 20 0 ECADHO Cn1cc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)cn1 ZINC001088199248 747724315 /nfs/dbraw/zinc/72/43/15/747724315.db2.gz HTOYQGWCIUVALS-ZACQAIPSSA-N 1 3 331.464 0.652 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001002811546 747817619 /nfs/dbraw/zinc/81/76/19/747817619.db2.gz OQMRWFHSYMDYHP-WBVHZDCISA-N 1 3 346.479 0.733 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001002811546 747817623 /nfs/dbraw/zinc/81/76/23/747817623.db2.gz OQMRWFHSYMDYHP-WBVHZDCISA-N 1 3 346.479 0.733 20 0 ECADHO C[C@@H](NCc1cccnc1)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979437203 747837118 /nfs/dbraw/zinc/83/71/18/747837118.db2.gz AIQVOQNTUJYATN-WBVHZDCISA-N 1 3 344.459 0.883 20 0 ECADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985431929 748001230 /nfs/dbraw/zinc/00/12/30/748001230.db2.gz AVWKKOSATLNEFK-CVEARBPZSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000979781770 748382395 /nfs/dbraw/zinc/38/23/95/748382395.db2.gz ADYUVLAUVMKBJQ-KLHDSHLOSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000979781770 748382401 /nfs/dbraw/zinc/38/24/01/748382401.db2.gz ADYUVLAUVMKBJQ-KLHDSHLOSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979773416 748400037 /nfs/dbraw/zinc/40/00/37/748400037.db2.gz NCKMQSJZVZMIMZ-LVQVYYBASA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000979773416 748400043 /nfs/dbraw/zinc/40/00/43/748400043.db2.gz NCKMQSJZVZMIMZ-LVQVYYBASA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985552061 748471437 /nfs/dbraw/zinc/47/14/37/748471437.db2.gz CICAYTAGJVNNRD-CZUORRHYSA-N 1 3 336.480 0.657 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCc3cnn(C)c3)CC2)C1 ZINC001003626090 748740124 /nfs/dbraw/zinc/74/01/24/748740124.db2.gz LKXZNMFCFLLSMH-OAHLLOKOSA-N 1 3 333.480 0.885 20 0 ECADHO C[N@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@H]1CCNC(=O)CC1 ZINC001029852898 748830404 /nfs/dbraw/zinc/83/04/04/748830404.db2.gz JKHNSWJMFSVPNL-CABCVRRESA-N 1 3 347.463 0.649 20 0 ECADHO C[N@@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@H]1CCNC(=O)CC1 ZINC001029852898 748830410 /nfs/dbraw/zinc/83/04/10/748830410.db2.gz JKHNSWJMFSVPNL-CABCVRRESA-N 1 3 347.463 0.649 20 0 ECADHO CC[C@@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC001003791740 748898748 /nfs/dbraw/zinc/89/87/48/748898748.db2.gz XFNROXHJLWJMFF-BPUTZDHNSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC001003791740 748898754 /nfs/dbraw/zinc/89/87/54/748898754.db2.gz XFNROXHJLWJMFF-BPUTZDHNSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CCC(N(C)[C@@H](C)C(N)=O)CC2)CC1 ZINC000985735020 748979614 /nfs/dbraw/zinc/97/96/14/748979614.db2.gz OQEXNDDWZDLEAE-AWEZNQCLSA-N 1 3 338.496 0.903 20 0 ECADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985802525 749134295 /nfs/dbraw/zinc/13/42/95/749134295.db2.gz SRGHVLXAHKISDE-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO CCn1cc(CCN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001004142177 749252349 /nfs/dbraw/zinc/25/23/49/749252349.db2.gz HWSFIFDGVQGPGO-MRXNPFEDSA-N 1 3 333.480 0.978 20 0 ECADHO CCn1cc(CCN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001004142177 749252355 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SQBDRWAEUGZWGW-BBRMVZONSA-N 1 3 336.480 0.243 20 0 ECADHO Cc1cc(C)n(CCN(C)[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000980406744 749508116 /nfs/dbraw/zinc/50/81/16/749508116.db2.gz ROKONIOKFKMKCA-IRXDYDNUSA-N 1 3 333.480 0.984 20 0 ECADHO Cc1cc(C)n(CCN(C)[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000980406744 749508117 /nfs/dbraw/zinc/50/81/17/749508117.db2.gz ROKONIOKFKMKCA-IRXDYDNUSA-N 1 3 333.480 0.984 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1)N(C)C ZINC001004540069 749605954 /nfs/dbraw/zinc/60/59/54/749605954.db2.gz PUHFHOWFVBFDLT-DOTOQJQBSA-N 1 3 338.496 0.761 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1)N(C)C ZINC001004540069 749605958 /nfs/dbraw/zinc/60/59/58/749605958.db2.gz PUHFHOWFVBFDLT-DOTOQJQBSA-N 1 3 338.496 0.761 20 0 ECADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)[C@H]2CCN(C)C2=O)CC1)N(C)C ZINC001029972779 750162153 /nfs/dbraw/zinc/16/21/53/750162153.db2.gz NTNWKYFEHMMJOJ-CVEARBPZSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)[C@H]2CCN(C)C2=O)CC1)N(C)C ZINC001029972779 750162157 /nfs/dbraw/zinc/16/21/57/750162157.db2.gz NTNWKYFEHMMJOJ-CVEARBPZSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)[C@@H]2CCCNC2=O)CC1)N(C)C ZINC001029973266 750167967 /nfs/dbraw/zinc/16/79/67/750167967.db2.gz YFVFZGIGSZZPBA-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCCNC2=O)CC1)N(C)C ZINC001029973266 750167970 /nfs/dbraw/zinc/16/79/70/750167970.db2.gz YFVFZGIGSZZPBA-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001005186203 750344165 /nfs/dbraw/zinc/34/41/65/750344165.db2.gz YSCKOULMIIQFTE-SJORKVTESA-N 1 3 349.479 0.261 20 0 ECADHO C[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005742709 750581242 /nfs/dbraw/zinc/58/12/42/750581242.db2.gz SXHOYJKMBAZZHN-QBPRILJRSA-N 1 3 337.464 0.153 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059790240 750674645 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ZINC001009076946 754514236 /nfs/dbraw/zinc/51/42/36/754514236.db2.gz QSJGNLPNEVCSTG-QSPRXWTASA-N 1 3 348.491 0.243 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1 ZINC001168335503 754629135 /nfs/dbraw/zinc/62/91/35/754629135.db2.gz LFEHFUXRLBMSRU-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001168335677 754647104 /nfs/dbraw/zinc/64/71/04/754647104.db2.gz PGZGVRUGVXZPLS-HNNXBMFYSA-N 1 3 338.496 0.873 20 0 ECADHO CCN(C(=O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1)C1CC1 ZINC001101037770 755580156 /nfs/dbraw/zinc/58/01/56/755580156.db2.gz WNFZJRYGUMUDNE-UHFFFAOYSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)c2occc2CN(C)C)CC[N@@H+]1CCn1cncn1 ZINC001088822689 755908067 /nfs/dbraw/zinc/90/80/67/755908067.db2.gz CVOMDRXUGPPWRZ-HIFRSBDPSA-N 1 3 346.435 0.826 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)c2occc2CN(C)C)CC[N@H+]1CCn1cncn1 ZINC001088822689 755908071 /nfs/dbraw/zinc/90/80/71/755908071.db2.gz CVOMDRXUGPPWRZ-HIFRSBDPSA-N 1 3 346.435 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Cc1ncc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)cn1 ZINC001051624197 762501146 /nfs/dbraw/zinc/50/11/46/762501146.db2.gz MSGOGOWQTGSMME-KBRIMQKVSA-N 1 3 347.463 0.442 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001076748341 756958810 /nfs/dbraw/zinc/95/88/10/756958810.db2.gz SXALQZVMQDIOFI-JJXSEGSLSA-N 1 3 340.512 0.924 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001076748341 756958817 /nfs/dbraw/zinc/95/88/17/756958817.db2.gz SXALQZVMQDIOFI-JJXSEGSLSA-N 1 3 340.512 0.924 20 0 ECADHO CC(C)(C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1)N1CCCCC1 ZINC001048820113 757102439 /nfs/dbraw/zinc/10/24/39/757102439.db2.gz CMNXWCGKLLRMHP-XHSDSOJGSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)(C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1)N1CCCCC1 ZINC001048820113 757102444 /nfs/dbraw/zinc/10/24/44/757102444.db2.gz CMNXWCGKLLRMHP-XHSDSOJGSA-N 1 3 348.491 0.530 20 0 ECADHO 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ZINC001048860264 757205611 /nfs/dbraw/zinc/20/56/11/757205611.db2.gz MWYAJHNWPPEAHU-IYBDPMFKSA-N 1 3 348.491 0.483 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2C1)C1CCC1 ZINC001048865176 757223404 /nfs/dbraw/zinc/22/34/04/757223404.db2.gz YJEPFCBDEKHXMV-CALCHBBNSA-N 1 3 345.491 0.837 20 0 ECADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2C1)C1CCC1 ZINC001048865176 757223406 /nfs/dbraw/zinc/22/34/06/757223406.db2.gz YJEPFCBDEKHXMV-CALCHBBNSA-N 1 3 345.491 0.837 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2C1)N(C)C ZINC001048888500 757303353 /nfs/dbraw/zinc/30/33/53/757303353.db2.gz QUKWDKMNUDGBEQ-QKPAOTATSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2C1)N(C)C ZINC001048888500 757303359 /nfs/dbraw/zinc/30/33/59/757303359.db2.gz QUKWDKMNUDGBEQ-QKPAOTATSA-N 1 3 336.480 0.338 20 0 ECADHO CN(C)C1(C(=O)N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CCC1 ZINC001011262949 757326202 /nfs/dbraw/zinc/32/62/02/757326202.db2.gz ZCEILPMXLDTYTP-UHFFFAOYSA-N 1 3 334.464 0.237 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001011282322 757403806 /nfs/dbraw/zinc/40/38/06/757403806.db2.gz FWIJEBULJPZQKC-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001011282322 757403809 /nfs/dbraw/zinc/40/38/09/757403809.db2.gz FWIJEBULJPZQKC-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000996342715 757414398 /nfs/dbraw/zinc/41/43/98/757414398.db2.gz HFHRCAXMYYGNFV-AWEZNQCLSA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1)N(C)C ZINC001011317376 757498876 /nfs/dbraw/zinc/49/88/76/757498876.db2.gz KYOMNAATYBXCJN-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1)N(C)C ZINC001011317376 757498879 /nfs/dbraw/zinc/49/88/79/757498879.db2.gz KYOMNAATYBXCJN-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001076925791 757641223 /nfs/dbraw/zinc/64/12/23/757641223.db2.gz ZGCJSANKNVDDHW-XJKSGUPXSA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001076971298 757782629 /nfs/dbraw/zinc/78/26/29/757782629.db2.gz YHILOTVDRUTTSY-ZNMIVQPWSA-N 1 3 328.501 0.924 20 0 ECADHO Cc1nn(C)cc1C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059523 757823445 /nfs/dbraw/zinc/82/34/45/757823445.db2.gz SNVDOUHVYLQPNZ-OLMNPRSZSA-N 1 3 345.491 0.961 20 0 ECADHO Cc1nn(C)cc1C[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059523 757823457 /nfs/dbraw/zinc/82/34/57/757823457.db2.gz SNVDOUHVYLQPNZ-OLMNPRSZSA-N 1 3 345.491 0.961 20 0 ECADHO CN1CC[C@@H](N[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1=O ZINC000996521426 757931971 /nfs/dbraw/zinc/93/19/71/757931971.db2.gz SDDAIAHKWIPOQV-KGLIPLIRSA-N 1 3 334.464 0.140 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(NCc2cnns2)CC1 ZINC000996561523 758051204 /nfs/dbraw/zinc/05/12/04/758051204.db2.gz PZQAQFPCUZLADT-HNNXBMFYSA-N 1 3 335.477 0.961 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001011623783 758157230 /nfs/dbraw/zinc/15/72/30/758157230.db2.gz JSYREHIVQFFXJN-UHFFFAOYSA-N 1 3 331.420 0.251 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CCO2)cn1 ZINC001051654863 762604509 /nfs/dbraw/zinc/60/45/09/762604509.db2.gz VYSSPWFYWUKSJJ-IAGOWNOFSA-N 1 3 347.463 0.442 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001011648366 758208012 /nfs/dbraw/zinc/20/80/12/758208012.db2.gz WALYVRXKNYIUPG-JKSUJKDBSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001011648366 758208023 /nfs/dbraw/zinc/20/80/23/758208023.db2.gz WALYVRXKNYIUPG-JKSUJKDBSA-N 1 3 336.480 0.341 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022077319 758243080 /nfs/dbraw/zinc/24/30/80/758243080.db2.gz OJCVRSBABPSPJR-BYNSBNAKSA-N 1 3 332.452 0.426 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001022077319 758243088 /nfs/dbraw/zinc/24/30/88/758243088.db2.gz OJCVRSBABPSPJR-BYNSBNAKSA-N 1 3 332.452 0.426 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001022090040 758262579 /nfs/dbraw/zinc/26/25/79/758262579.db2.gz SDOGQRBQIWTDMP-UXLLHSPISA-N 1 3 329.448 0.864 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022119345 758299003 /nfs/dbraw/zinc/29/90/03/758299003.db2.gz DSXQUNIDLNTZPG-IVSAIRAKSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022119345 758299013 /nfs/dbraw/zinc/29/90/13/758299013.db2.gz DSXQUNIDLNTZPG-IVSAIRAKSA-N 1 3 345.447 0.385 20 0 ECADHO CN(CC(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1)C1CCC1 ZINC000996667481 758396703 /nfs/dbraw/zinc/39/67/03/758396703.db2.gz ZKDMXOIHSZEBHW-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060320471 762631563 /nfs/dbraw/zinc/63/15/63/762631563.db2.gz SZYSRQFQIJMEFA-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671846 762655996 /nfs/dbraw/zinc/65/59/96/762655996.db2.gz MZIRZMKTPFBWBL-KGLIPLIRSA-N 1 3 347.463 0.647 20 0 ECADHO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001077366349 758916117 /nfs/dbraw/zinc/91/61/17/758916117.db2.gz CXROMZZIRJHHIL-DAXOMENPSA-N 1 3 345.403 0.077 20 0 ECADHO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001077366349 758916119 /nfs/dbraw/zinc/91/61/19/758916119.db2.gz CXROMZZIRJHHIL-DAXOMENPSA-N 1 3 345.403 0.077 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCO ZINC001049609454 758987999 /nfs/dbraw/zinc/98/79/99/758987999.db2.gz GROYXFQMZBKWBG-FNYPPERVSA-N 1 3 349.475 0.297 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049609454 758988007 /nfs/dbraw/zinc/98/80/07/758988007.db2.gz GROYXFQMZBKWBG-FNYPPERVSA-N 1 3 349.475 0.297 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001022710237 759021641 /nfs/dbraw/zinc/02/16/41/759021641.db2.gz ABRDNUYHHIFKSJ-BMFZPTHFSA-N 1 3 332.448 0.606 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)C1 ZINC001022713781 759028543 /nfs/dbraw/zinc/02/85/43/759028543.db2.gz MJXFPFWBBJBUCN-KBXIAJHMSA-N 1 3 332.452 0.344 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)C1 ZINC001022716124 759031030 /nfs/dbraw/zinc/03/10/30/759031030.db2.gz QURATMHTQSWYEK-XYPHTWIQSA-N 1 3 344.459 0.864 20 0 ECADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC001051683706 762682788 /nfs/dbraw/zinc/68/27/88/762682788.db2.gz NMEGMXGNNGCHSI-HZPDHXFCSA-N 1 3 337.468 0.386 20 0 ECADHO Cc1nnc(CN[C@@H](C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC001048037550 759867494 /nfs/dbraw/zinc/86/74/94/759867494.db2.gz INXIJRJJFDUJHU-GXTWGEPZSA-N 1 3 332.452 0.536 20 0 ECADHO CN1CCC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050234950 760014730 /nfs/dbraw/zinc/01/47/30/760014730.db2.gz JJKMUMVLEJOOIP-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO Cn1cnnc1CNC[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001050362083 760182323 /nfs/dbraw/zinc/18/23/23/760182323.db2.gz GBGRBOCSNUCSNC-KOMQPUFPSA-N 1 3 348.495 0.922 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2cn(C)nn2)CC1 ZINC001050368131 760191508 /nfs/dbraw/zinc/19/15/08/760191508.db2.gz SYGZUMOTNKXIJA-ANQUJSFKSA-N 1 3 348.495 0.777 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2cn(C)nn2)CC1 ZINC001050368131 760191513 /nfs/dbraw/zinc/19/15/13/760191513.db2.gz SYGZUMOTNKXIJA-ANQUJSFKSA-N 1 3 348.495 0.777 20 0 ECADHO Cn1nnnc1CNC[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001050385947 760213087 /nfs/dbraw/zinc/21/30/87/760213087.db2.gz CPAVZPVYWZCJRO-RBSFLKMASA-N 1 3 349.483 0.317 20 0 ECADHO Cn1nnnc1CNC[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001050385947 760213093 /nfs/dbraw/zinc/21/30/93/760213093.db2.gz CPAVZPVYWZCJRO-RBSFLKMASA-N 1 3 349.483 0.317 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNCc1cn(C)nn1 ZINC001048368187 760388180 /nfs/dbraw/zinc/38/81/80/760388180.db2.gz JTHQQNZFMZKABM-HIFRSBDPSA-N 1 3 334.468 0.341 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050524659 760429564 /nfs/dbraw/zinc/42/95/64/760429564.db2.gz JZXCQJWWLJKHAY-QLFBSQMISA-N 1 3 336.480 0.386 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524659 760429571 /nfs/dbraw/zinc/42/95/71/760429571.db2.gz JZXCQJWWLJKHAY-QLFBSQMISA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001050525585 760431171 /nfs/dbraw/zinc/43/11/71/760431171.db2.gz ZPXOJEQCFIUZQF-OAGGEKHMSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)CC[N@H+]1C ZINC001050525585 760431174 /nfs/dbraw/zinc/43/11/74/760431174.db2.gz ZPXOJEQCFIUZQF-OAGGEKHMSA-N 1 3 348.491 0.482 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050542662 760461062 /nfs/dbraw/zinc/46/10/62/760461062.db2.gz IUASUQHYBFTGLL-UKRRQHHQSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNCc1nccn1C ZINC001048441523 760536342 /nfs/dbraw/zinc/53/63/42/760536342.db2.gz QDYNFMAMYVCIGO-GJZGRUSLSA-N 1 3 331.464 0.700 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050598743 760551557 /nfs/dbraw/zinc/55/15/57/760551557.db2.gz SWTKJWLHSGIJNJ-WUJZJPHMSA-N 1 3 349.475 0.156 20 0 ECADHO CC(C)[C@H](C(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2)[NH+](C)C ZINC001050652674 760629827 /nfs/dbraw/zinc/62/98/27/760629827.db2.gz XQOJPZVOEXNECE-HUUCEWRRSA-N 1 3 336.480 0.386 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995868175 760699038 /nfs/dbraw/zinc/69/90/38/760699038.db2.gz BALOXBPFANJNGT-HOTGVXAUSA-N 1 3 348.495 0.979 20 0 ECADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066787 760706687 /nfs/dbraw/zinc/70/66/87/760706687.db2.gz SEGGZCUBPGZPCZ-LSDHHAIUSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066787 760706693 /nfs/dbraw/zinc/70/66/93/760706693.db2.gz SEGGZCUBPGZPCZ-LSDHHAIUSA-N 1 3 326.485 0.726 20 0 ECADHO CN(CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1)C1CCC1 ZINC000995917667 760773447 /nfs/dbraw/zinc/77/34/47/760773447.db2.gz LOJBFVNHQCBOJX-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001048624139 760807701 /nfs/dbraw/zinc/80/77/01/760807701.db2.gz IFPTUMHHWCGIDP-JYJNAYRXSA-N 1 3 348.495 0.779 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001048624139 760807711 /nfs/dbraw/zinc/80/77/11/760807711.db2.gz IFPTUMHHWCGIDP-JYJNAYRXSA-N 1 3 348.495 0.779 20 0 ECADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995987419 760938320 /nfs/dbraw/zinc/93/83/20/760938320.db2.gz RCQGQXPNPPEXRA-CQSZACIVSA-N 1 3 338.496 0.951 20 0 ECADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995987419 760938322 /nfs/dbraw/zinc/93/83/22/760938322.db2.gz RCQGQXPNPPEXRA-CQSZACIVSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)N(C)C ZINC001106246828 768011076 /nfs/dbraw/zinc/01/10/76/768011076.db2.gz REGGQWRHWZYALM-RBSFLKMASA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC=C(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001017464498 768012398 /nfs/dbraw/zinc/01/23/98/768012398.db2.gz IISNEWISNOFRBA-WBVHZDCISA-N 1 3 348.491 0.555 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC=C(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001017464498 768012405 /nfs/dbraw/zinc/01/24/05/768012405.db2.gz IISNEWISNOFRBA-WBVHZDCISA-N 1 3 348.491 0.555 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCO[C@@H](C[NH2+]CC2CCC2)C1 ZINC001051722570 762796673 /nfs/dbraw/zinc/79/66/73/762796673.db2.gz OKAWHHCQBFXINK-VIHIWDAPSA-N 1 3 349.475 0.467 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1)N(C)C ZINC001112118086 762941729 /nfs/dbraw/zinc/94/17/29/762941729.db2.gz RUJKASIHTIZOQO-UPJWGTAASA-N 1 3 339.402 0.934 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](CNCc3cncn3C)C2)CC[N@@H+]1C ZINC001051787207 762958388 /nfs/dbraw/zinc/95/83/88/762958388.db2.gz OBIATQAJTVVUSI-YQQAZPJKSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](CNCc3cncn3C)C2)CC[N@H+]1C ZINC001051787207 762958397 /nfs/dbraw/zinc/95/83/97/762958397.db2.gz OBIATQAJTVVUSI-YQQAZPJKSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]Cc3cccnc3)C2)C1 ZINC001051825130 763054251 /nfs/dbraw/zinc/05/42/51/763054251.db2.gz QWJHUBFAUVBWHF-DOTOQJQBSA-N 1 3 332.448 0.740 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051902207 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O=C(N[C@@H]1CC[N@@H+](CCOCCO)C1)c1ccn(-c2ccncc2)n1 ZINC001267745225 838450072 /nfs/dbraw/zinc/45/00/72/838450072.db2.gz WCMHRZBNWZDVDS-CQSZACIVSA-N 1 3 345.403 0.080 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CCOCCO)C1)c1ccn(-c2ccncc2)n1 ZINC001267745225 838450075 /nfs/dbraw/zinc/45/00/75/838450075.db2.gz WCMHRZBNWZDVDS-CQSZACIVSA-N 1 3 345.403 0.080 20 0 ECADHO COCCOCCN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267762175 838489673 /nfs/dbraw/zinc/48/96/73/838489673.db2.gz DSOVEVMPVGNBKB-OWCLPIDISA-N 1 3 327.469 0.522 20 0 ECADHO COCCOCCN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267762175 838489675 /nfs/dbraw/zinc/48/96/75/838489675.db2.gz DSOVEVMPVGNBKB-OWCLPIDISA-N 1 3 327.469 0.522 20 0 ECADHO CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCOCCO)C1 ZINC001267786914 838566625 /nfs/dbraw/zinc/56/66/25/838566625.db2.gz RLHBCVWOJGWFAL-DLBZAZTESA-N 1 3 339.480 0.260 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)Cc1ccccc1 ZINC000418854342 282169322 /nfs/dbraw/zinc/16/93/22/282169322.db2.gz SYRWYRJXIMWJTH-VQIMIIECSA-N 1 3 346.475 0.473 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@H]1C ZINC000354661658 299088525 /nfs/dbraw/zinc/08/85/25/299088525.db2.gz LURMGARVCMWDBG-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@H]1C ZINC000354661658 299088529 /nfs/dbraw/zinc/08/85/29/299088529.db2.gz LURMGARVCMWDBG-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)C(C)(C)C[NH+](C)C ZINC000419550818 209124152 /nfs/dbraw/zinc/12/41/52/209124152.db2.gz VFNMCDBINDGQOJ-TZMCWYRMSA-N 1 3 326.485 0.713 20 0 ECADHO N[C@H](CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000262830322 283429139 /nfs/dbraw/zinc/42/91/39/283429139.db2.gz UXNKTJWIRYKZKS-HZPDHXFCSA-N 1 3 332.448 0.923 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000423153693 296015338 /nfs/dbraw/zinc/01/53/38/296015338.db2.gz NYXWGVSWOCITDM-GDBMZVCRSA-N 1 3 336.480 0.659 20 0 ECADHO Cc1nc2c(cnn2C)c(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000420308645 209351505 /nfs/dbraw/zinc/35/15/05/209351505.db2.gz DGTVKYDEZYMHPT-AWEZNQCLSA-N 1 3 329.452 0.793 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420116347 209309714 /nfs/dbraw/zinc/30/97/14/209309714.db2.gz GYRQJCZDMWSBGP-BBRMVZONSA-N 1 3 332.448 0.923 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420083483 209302094 /nfs/dbraw/zinc/30/20/94/209302094.db2.gz LFTGYDANDHCHCX-PMPSAXMXSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000419985776 209269593 /nfs/dbraw/zinc/26/95/93/209269593.db2.gz BCKRIDCEZDNDQR-GFCCVEGCSA-N 1 3 326.466 0.492 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCC1 ZINC000419968562 209264113 /nfs/dbraw/zinc/26/41/13/209264113.db2.gz QGLFOCBYCXUTMV-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000419950827 209258811 /nfs/dbraw/zinc/25/88/11/209258811.db2.gz HUZBAFHOKQMMJR-ZDUSSCGKSA-N 1 3 338.427 0.427 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000419939767 209254223 /nfs/dbraw/zinc/25/42/23/209254223.db2.gz JQPZYTLYUBTREV-GFCCVEGCSA-N 1 3 326.466 0.349 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419897469 209242241 /nfs/dbraw/zinc/24/22/41/209242241.db2.gz YYMKIWJDTGUKKS-OAHLLOKOSA-N 1 3 336.411 0.194 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419873143 209233707 /nfs/dbraw/zinc/23/37/07/209233707.db2.gz YQARZEDULZZKJR-HNNXBMFYSA-N 1 3 326.485 0.683 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000419843684 209222257 /nfs/dbraw/zinc/22/22/57/209222257.db2.gz NEZNUJASGPPJRN-KRWDZBQOSA-N 1 3 346.475 0.753 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000419787766 209204233 /nfs/dbraw/zinc/20/42/33/209204233.db2.gz XXQHOGOLWCTRNQ-OAHLLOKOSA-N 1 3 334.464 0.820 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419763163 209199501 /nfs/dbraw/zinc/19/95/01/209199501.db2.gz NGOJDNXOTVIEQX-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419723084 209188335 /nfs/dbraw/zinc/18/83/35/209188335.db2.gz NJXMREUAYDJQKV-KRWDZBQOSA-N 1 3 344.459 0.635 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@H](C[NH3+])OC)cc2)CC1 ZINC000262774378 245172117 /nfs/dbraw/zinc/17/21/17/245172117.db2.gz BOJNVXMOUWWZPG-GOSISDBHSA-N 1 3 348.491 0.804 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000262895927 245237337 /nfs/dbraw/zinc/23/73/37/245237337.db2.gz PASUOXJGKNSYBK-GOSISDBHSA-N 1 3 348.491 0.674 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(C4CCCC4)C3)C[C@@H]12 ZINC000419697217 209176505 /nfs/dbraw/zinc/17/65/05/209176505.db2.gz QJHXFRFTRMOEIS-OCVGTWLNSA-N 1 3 334.464 0.315 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419653180 209158949 /nfs/dbraw/zinc/15/89/49/209158949.db2.gz FNCSMQFTFVTKBA-RDJZCZTQSA-N 1 3 346.475 0.834 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C(C)C ZINC000419795299 209205382 /nfs/dbraw/zinc/20/53/82/209205382.db2.gz JOARFKOMHQQCHP-UONOGXRCSA-N 1 3 342.484 0.451 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420120325 284616963 /nfs/dbraw/zinc/61/69/63/284616963.db2.gz JVHJWBPPEPVHQB-HUUCEWRRSA-N 1 3 342.484 0.060 20 0 ECADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000449709892 211294254 /nfs/dbraw/zinc/29/42/54/211294254.db2.gz KRTGXBUDZHVVFD-OAHLLOKOSA-N 1 3 325.453 0.516 20 0 ECADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@@H]2CCO[C@@H]21 ZINC000447528342 211193774 /nfs/dbraw/zinc/19/37/74/211193774.db2.gz IMJNGKQQZJSMIM-BBWFWOEESA-N 1 3 325.497 0.780 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420122602 209312367 /nfs/dbraw/zinc/31/23/67/209312367.db2.gz LKIQKRMXOVFADU-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)N(C)C)C1)[NH+](C)C ZINC000411371651 208089974 /nfs/dbraw/zinc/08/99/74/208089974.db2.gz APBXJQIZUKLZHR-PYHGIMPFSA-N 1 3 326.485 0.535 20 0 ECADHO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)C1)N(C)C ZINC000411371651 208089977 /nfs/dbraw/zinc/08/99/77/208089977.db2.gz APBXJQIZUKLZHR-PYHGIMPFSA-N 1 3 326.485 0.535 20 0 ECADHO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cccc(OCCN(C)C)c1 ZINC000414201399 208397103 /nfs/dbraw/zinc/39/71/03/208397103.db2.gz YEEHRDPYZYVWIA-HOCLYGCPSA-N 1 3 333.436 0.930 20 0 ECADHO O=C(COc1ccccc1CNCCN1CC[NH2+]CC1)NCC1CC1 ZINC000414863790 208436589 /nfs/dbraw/zinc/43/65/89/208436589.db2.gz JARPTGGBFOHVER-UHFFFAOYSA-N 1 3 346.475 0.586 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CNCCO2)[C@H](C)C1 ZINC000430708834 210397690 /nfs/dbraw/zinc/39/76/90/210397690.db2.gz VBOQWPNLMRLHHC-PMPSAXMXSA-N 1 3 327.469 0.618 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CNCCO2)[C@H](C)C1 ZINC000430708834 210397691 /nfs/dbraw/zinc/39/76/91/210397691.db2.gz VBOQWPNLMRLHHC-PMPSAXMXSA-N 1 3 327.469 0.618 20 0 ECADHO COCCCN1CCC(NC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000417443122 208730965 /nfs/dbraw/zinc/73/09/65/208730965.db2.gz XJTOTWFVQODBGI-KRWDZBQOSA-N 1 3 342.484 0.555 20 0 ECADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000419024389 208949442 /nfs/dbraw/zinc/94/94/42/208949442.db2.gz XJIGMBVOYMYRKC-KRWDZBQOSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)N1CCC(C)CC1 ZINC000419155940 209004314 /nfs/dbraw/zinc/00/43/14/209004314.db2.gz IZXRAHSUJLJHPU-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(=O)OC ZINC000494119346 285247929 /nfs/dbraw/zinc/24/79/29/285247929.db2.gz HGEGBTKBWMQXHT-UONOGXRCSA-N 1 3 328.457 0.605 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(=O)OC ZINC000494119346 285247930 /nfs/dbraw/zinc/24/79/30/285247930.db2.gz HGEGBTKBWMQXHT-UONOGXRCSA-N 1 3 328.457 0.605 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000419171580 209011224 /nfs/dbraw/zinc/01/12/24/209011224.db2.gz PHTGUTZXWDDRHU-CABCVRRESA-N 1 3 326.485 0.857 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000419171580 209011227 /nfs/dbraw/zinc/01/12/27/209011227.db2.gz PHTGUTZXWDDRHU-CABCVRRESA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419174815 209012107 /nfs/dbraw/zinc/01/21/07/209012107.db2.gz WQSIUXZGIWKCPQ-IAGOWNOFSA-N 1 3 346.475 0.819 20 0 ECADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419225486 209032510 /nfs/dbraw/zinc/03/25/10/209032510.db2.gz HDYJACAUPYTXST-PMPSAXMXSA-N 1 3 336.480 0.611 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419227520 209034032 /nfs/dbraw/zinc/03/40/32/209034032.db2.gz KQMZYBPQGWXVLS-VYDXJSESSA-N 1 3 346.475 0.724 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419227515 209034478 /nfs/dbraw/zinc/03/44/78/209034478.db2.gz KQFMNODNKHVNSG-RDJZCZTQSA-N 1 3 346.475 0.691 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC2(N(C)C)CCC2)cc1 ZINC000419237159 209037296 /nfs/dbraw/zinc/03/72/96/209037296.db2.gz LODZVLRWVLVRFR-CYBMUJFWSA-N 1 3 332.448 0.923 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300578 285346216 /nfs/dbraw/zinc/34/62/16/285346216.db2.gz WUHMWOMESJPBMP-STQMWFEESA-N 1 3 326.441 0.311 20 0 ECADHO O=S(=O)([C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1)N1CCOCC1 ZINC000333654683 297146803 /nfs/dbraw/zinc/14/68/03/297146803.db2.gz KKJVHTNBCCFFRG-HUUCEWRRSA-N 1 3 331.482 0.112 20 0 ECADHO C[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)N1CCC[C@H](C)C1 ZINC000262212396 165308616 /nfs/dbraw/zinc/30/86/16/165308616.db2.gz IXHSSDKNLKCKCY-DIECFANBSA-N 1 3 333.480 0.960 20 0 ECADHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC000122213449 222039074 /nfs/dbraw/zinc/03/90/74/222039074.db2.gz VDMIECVOYCBMTO-CYBMUJFWSA-N 1 3 328.457 0.640 20 0 ECADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC000122213449 222039076 /nfs/dbraw/zinc/03/90/76/222039076.db2.gz VDMIECVOYCBMTO-CYBMUJFWSA-N 1 3 328.457 0.640 20 0 ECADHO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(C)(C)C[NH+](C)C ZINC000085290696 263143250 /nfs/dbraw/zinc/14/32/50/263143250.db2.gz AGPAJFDCEJHICJ-ZIAGYGMSSA-N 1 3 326.485 0.489 20 0 ECADHO COCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000273046812 263390539 /nfs/dbraw/zinc/39/05/39/263390539.db2.gz FQZURBYXOFQVGA-SFHVURJKSA-N 1 3 348.491 0.788 20 0 ECADHO CN(CCOCCO)Cc1cccc(C[N@H+](C)CCOCCO)c1 ZINC000282515630 264049068 /nfs/dbraw/zinc/04/90/68/264049068.db2.gz PCYWAGCLDVOBFB-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO CN(CCOCCO)Cc1cccc(C[N@@H+](C)CCOCCO)c1 ZINC000282515630 264049070 /nfs/dbraw/zinc/04/90/70/264049070.db2.gz PCYWAGCLDVOBFB-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284238710 264190076 /nfs/dbraw/zinc/19/00/76/264190076.db2.gz UYTJMBGZZLWCOP-UHFFFAOYSA-N 1 3 346.475 0.917 20 0 ECADHO C[C@@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)cn1)N(C)C ZINC000298609717 265266899 /nfs/dbraw/zinc/26/68/99/265266899.db2.gz JMENHKZVGCEBKF-STQMWFEESA-N 1 3 335.452 0.441 20 0 ECADHO C[C@@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)nc1)N(C)C ZINC000298609717 265266901 /nfs/dbraw/zinc/26/69/01/265266901.db2.gz JMENHKZVGCEBKF-STQMWFEESA-N 1 3 335.452 0.441 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N(C)C ZINC000299024690 265322750 /nfs/dbraw/zinc/32/27/50/265322750.db2.gz UKNUNFRXESYSAF-CYBMUJFWSA-N 1 3 336.436 0.632 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418829276 273812689 /nfs/dbraw/zinc/81/26/89/273812689.db2.gz DJSNLMLTJYNUMI-ZACQAIPSSA-N 1 3 346.475 0.519 20 0 ECADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N[C@H](CN)C2CC2)c1 ZINC000419266878 276334879 /nfs/dbraw/zinc/33/48/79/276334879.db2.gz IEHVZRGFJLMNGT-QGZVFWFLSA-N 1 3 346.475 0.998 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000343948672 276371674 /nfs/dbraw/zinc/37/16/74/276371674.db2.gz ZUIQYGZUTXETPF-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO COC(=O)N1CCC([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000495753335 277070873 /nfs/dbraw/zinc/07/08/73/277070873.db2.gz LMLSORXYIBUTQR-UHFFFAOYSA-N 1 3 340.468 0.799 20 0 ECADHO CNC(=O)[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000245686499 277241730 /nfs/dbraw/zinc/24/17/30/277241730.db2.gz NBYCHSOIFKFCBR-OAGGEKHMSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCCN(CC[C@@H](C)[N@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000245686499 277241731 /nfs/dbraw/zinc/24/17/31/277241731.db2.gz NBYCHSOIFKFCBR-OAGGEKHMSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCC[N@@H+](CC[C@@H](C)N2CCC[C@H](C(=O)NC)C2)C1 ZINC000245686499 277241732 /nfs/dbraw/zinc/24/17/32/277241732.db2.gz NBYCHSOIFKFCBR-OAGGEKHMSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCC[N@H+](CC[C@@H](C)N2CCC[C@H](C(=O)NC)C2)C1 ZINC000245686499 277241733 /nfs/dbraw/zinc/24/17/33/277241733.db2.gz NBYCHSOIFKFCBR-OAGGEKHMSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)[NH+]1CCCCCC1 ZINC000419125738 277738055 /nfs/dbraw/zinc/73/80/55/277738055.db2.gz KOKJUDACRGZCDB-LSDHHAIUSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C(=O)CN)C2)C(=O)N1c1ccccc1 ZINC000415099677 278920538 /nfs/dbraw/zinc/92/05/38/278920538.db2.gz GZFBVIFQYVYBMO-BFYDXBDKSA-N 1 3 344.459 0.967 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458425188 279358374 /nfs/dbraw/zinc/35/83/74/279358374.db2.gz DDVWCVZEOZYUBI-HNNXBMFYSA-N 1 3 327.517 0.899 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000417743482 279361837 /nfs/dbraw/zinc/36/18/37/279361837.db2.gz CCGLZVHNTIQQID-HZPDHXFCSA-N 1 3 325.501 0.701 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H](CN)C1CC1)[NH+]1CCCCCC1 ZINC000419125131 280239781 /nfs/dbraw/zinc/23/97/81/280239781.db2.gz JFJHEQYYSCGWEV-CVEARBPZSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000423199320 280276068 /nfs/dbraw/zinc/27/60/68/280276068.db2.gz JRAZMXIRIOKPJL-HZPDHXFCSA-N 1 3 338.496 0.905 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCC1 ZINC000419236812 282026807 /nfs/dbraw/zinc/02/68/07/282026807.db2.gz KYTRXJZLHQAECC-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000459904332 289126965 /nfs/dbraw/zinc/12/69/65/289126965.db2.gz ZXPQSBRZOQDCEY-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000459904332 289126969 /nfs/dbraw/zinc/12/69/69/289126969.db2.gz ZXPQSBRZOQDCEY-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418848941 289275611 /nfs/dbraw/zinc/27/56/11/289275611.db2.gz LZOQKVUVMMMVNY-JKSUJKDBSA-N 1 3 332.448 0.144 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C)C1)CC2 ZINC000410727989 290317389 /nfs/dbraw/zinc/31/73/89/290317389.db2.gz CWIZAZINZUUYRS-WCXIOVBPSA-N 1 3 348.491 0.624 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C)C1)CC2 ZINC000410727989 290317390 /nfs/dbraw/zinc/31/73/90/290317390.db2.gz CWIZAZINZUUYRS-WCXIOVBPSA-N 1 3 348.491 0.624 20 0 ECADHO COC[C@H](C)OC[C@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000447295879 293042864 /nfs/dbraw/zinc/04/28/64/293042864.db2.gz MPHUSCDYXDAVTD-XYJFISCASA-N 1 3 343.512 0.499 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC[N@@H+]1C ZINC000332322517 297030912 /nfs/dbraw/zinc/03/09/12/297030912.db2.gz LMUXADFVDKDIQG-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC[N@H+]1C ZINC000332322517 297030913 /nfs/dbraw/zinc/03/09/13/297030913.db2.gz LMUXADFVDKDIQG-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC1 ZINC000332619259 297059262 /nfs/dbraw/zinc/05/92/62/297059262.db2.gz NKEIJLASKQXHAH-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000332660863 297063174 /nfs/dbraw/zinc/06/31/74/297063174.db2.gz WWCDMENCDQEWGE-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000332660872 297063343 /nfs/dbraw/zinc/06/33/43/297063343.db2.gz WWCDMENCDQEWGE-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418176543 295232280 /nfs/dbraw/zinc/23/22/80/295232280.db2.gz UVGFPLRXYNNQMA-UHFFFAOYSA-N 1 3 326.485 0.995 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000333565309 297142328 /nfs/dbraw/zinc/14/23/28/297142328.db2.gz LQDDMEPTOGBHGE-HYVNUMGLSA-N 1 3 348.495 0.977 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000333565309 297142329 /nfs/dbraw/zinc/14/23/29/297142329.db2.gz LQDDMEPTOGBHGE-HYVNUMGLSA-N 1 3 348.495 0.977 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C[C@H]2N)cn1 ZINC000333601255 297144490 /nfs/dbraw/zinc/14/44/90/297144490.db2.gz QNHKDFFSMDUBHS-LZNONINNSA-N 1 3 332.452 0.244 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](CO)[C@@H](c3cnn(C)c3)C2)CC1 ZINC000337446216 297188848 /nfs/dbraw/zinc/18/88/48/297188848.db2.gz CIOZLGHXWAAMTM-RBUKOAKNSA-N 1 3 349.523 0.844 20 0 ECADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](CO)[C@@H](c3cnn(C)c3)C2)CC1 ZINC000337446216 297188849 /nfs/dbraw/zinc/18/88/49/297188849.db2.gz CIOZLGHXWAAMTM-RBUKOAKNSA-N 1 3 349.523 0.844 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000339578679 297361513 /nfs/dbraw/zinc/36/15/13/297361513.db2.gz DKVIFATXBYEWAM-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000339578679 297361514 /nfs/dbraw/zinc/36/15/14/297361514.db2.gz DKVIFATXBYEWAM-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1)N(C)C1CC1 ZINC000339742783 297376387 /nfs/dbraw/zinc/37/63/87/297376387.db2.gz OPVLLPJTLUDCBO-CQSZACIVSA-N 1 3 346.475 0.963 20 0 ECADHO CCN(CCNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000339744297 297377207 /nfs/dbraw/zinc/37/72/07/297377207.db2.gz GQAQUSRIGHMZKY-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000339752753 297378986 /nfs/dbraw/zinc/37/89/86/297378986.db2.gz GNHJSXZPPLVCGN-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000344635481 298047652 /nfs/dbraw/zinc/04/76/52/298047652.db2.gz LJTJNWVOQJWBER-WMZOPIPTSA-N 1 3 346.475 0.285 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCCN(C)[C@H]3C)C2)CC1 ZINC000345744516 298189427 /nfs/dbraw/zinc/18/94/27/298189427.db2.gz KORJCJFJVQTLQS-BBWFWOEESA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[N@H+](C)[C@H]3C)C2)CC1 ZINC000345744516 298189429 /nfs/dbraw/zinc/18/94/29/298189429.db2.gz KORJCJFJVQTLQS-BBWFWOEESA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[N@@H+](C)[C@H]3C)C2)CC1 ZINC000345744516 298189432 /nfs/dbraw/zinc/18/94/32/298189432.db2.gz KORJCJFJVQTLQS-BBWFWOEESA-N 1 3 337.512 0.891 20 0 ECADHO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H](N)CC(F)F)cc1 ZINC000345803155 298194866 /nfs/dbraw/zinc/19/48/66/298194866.db2.gz NEGOEZUNRPYJNP-CYBMUJFWSA-N 1 3 342.390 0.577 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346112393 298228748 /nfs/dbraw/zinc/22/87/48/298228748.db2.gz PXNLCYUCSRVGET-JXFSHQFZSA-N 1 3 334.464 0.327 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346112393 298228751 /nfs/dbraw/zinc/22/87/51/298228751.db2.gz PXNLCYUCSRVGET-JXFSHQFZSA-N 1 3 334.464 0.327 20 0 ECADHO C[C@H](CN(C)C)NC(=O)C(C)(C)CCC(=O)N[C@@H](C)C[NH+](C)C ZINC000346135109 298231681 /nfs/dbraw/zinc/23/16/81/298231681.db2.gz CIYVWVGDZVCAFP-UONOGXRCSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)C(C)(C)CCC(=O)N[C@@H](C)CN(C)C ZINC000346135109 298231682 /nfs/dbraw/zinc/23/16/82/298231682.db2.gz CIYVWVGDZVCAFP-UONOGXRCSA-N 1 3 328.501 0.925 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1=O ZINC000346216884 298239561 /nfs/dbraw/zinc/23/95/61/298239561.db2.gz HVBYWAHVANWPST-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1=O ZINC000346216884 298239566 /nfs/dbraw/zinc/23/95/66/298239566.db2.gz HVBYWAHVANWPST-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000346540114 298290312 /nfs/dbraw/zinc/29/03/12/298290312.db2.gz WYUHKQQBJBBSLY-ZFWWWQNUSA-N 1 3 336.480 0.528 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)CN2CCOCC2)[C@H](C)C1 ZINC000346541917 298290511 /nfs/dbraw/zinc/29/05/11/298290511.db2.gz MVOHNXLVKXHKSD-KURKYZTESA-N 1 3 343.512 0.406 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)CN2CCOCC2)[C@H](C)C1 ZINC000346541917 298290514 /nfs/dbraw/zinc/29/05/14/298290514.db2.gz MVOHNXLVKXHKSD-KURKYZTESA-N 1 3 343.512 0.406 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419425381 298557479 /nfs/dbraw/zinc/55/74/79/298557479.db2.gz PPBDPZBYAIYNQS-MCIONIFRSA-N 1 3 340.468 0.206 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000349758654 298681838 /nfs/dbraw/zinc/68/18/38/298681838.db2.gz NNNDLMVOBOKDNH-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000419907531 299013782 /nfs/dbraw/zinc/01/37/82/299013782.db2.gz XOTGOJDHIHPOMG-XHSDSOJGSA-N 1 3 336.480 0.578 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000362519290 300196338 /nfs/dbraw/zinc/19/63/38/300196338.db2.gz QJOSXHCJGISEOA-JKSUJKDBSA-N 1 3 326.485 0.984 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000362519290 300196341 /nfs/dbraw/zinc/19/63/41/300196341.db2.gz QJOSXHCJGISEOA-JKSUJKDBSA-N 1 3 326.485 0.984 20 0 ECADHO C[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)CN1CCN(C)CC1 ZINC000362571524 300200254 /nfs/dbraw/zinc/20/02/54/300200254.db2.gz YUPXCPRNSYJDHG-KGLIPLIRSA-N 1 3 334.468 0.100 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000362848577 300228037 /nfs/dbraw/zinc/22/80/37/300228037.db2.gz CEUQKVVOZRLJGM-RDJZCZTQSA-N 1 3 345.491 0.990 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000362848577 300228040 /nfs/dbraw/zinc/22/80/40/300228040.db2.gz CEUQKVVOZRLJGM-RDJZCZTQSA-N 1 3 345.491 0.990 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414186324 300235643 /nfs/dbraw/zinc/23/56/43/300235643.db2.gz HOSVBJRGPRIJCA-FUHWJXTLSA-N 1 3 336.524 0.855 20 0 ECADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCCCN2)c1 ZINC000364492515 300361697 /nfs/dbraw/zinc/36/16/97/300361697.db2.gz RWIXOBXWUNFXOJ-AWEZNQCLSA-N 1 3 340.449 0.394 20 0 ECADHO C[NH+](C)C1(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CCOCC1 ZINC000369921326 300778987 /nfs/dbraw/zinc/77/89/87/300778987.db2.gz WFGZYVCOHJBHGL-PMUMKWKESA-N 1 3 339.480 0.746 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000074105005 436106100 /nfs/dbraw/zinc/10/61/00/436106100.db2.gz WSTKLQKOEJKORF-MRXNPFEDSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000074657074 436131817 /nfs/dbraw/zinc/13/18/17/436131817.db2.gz JVALAAOPTKKFIO-HZPDHXFCSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@@H]1CCCCN1CCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000375834739 301214565 /nfs/dbraw/zinc/21/45/65/301214565.db2.gz OHMOJBXFIYKALQ-CQSZACIVSA-N 1 3 345.509 0.534 20 0 ECADHO CC[C@@H](C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1)N(C)C ZINC000376099795 301235301 /nfs/dbraw/zinc/23/53/01/301235301.db2.gz FBBRPYVMEVLPCT-INIZCTEOSA-N 1 3 326.485 0.193 20 0 ECADHO CC[C@@H](C(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1)N(C)C ZINC000376099795 301235303 /nfs/dbraw/zinc/23/53/03/301235303.db2.gz FBBRPYVMEVLPCT-INIZCTEOSA-N 1 3 326.485 0.193 20 0 ECADHO COC(=O)[C@H]1CC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377124089 301323054 /nfs/dbraw/zinc/32/30/54/301323054.db2.gz CPGRMRBLYHXPRD-CVEARBPZSA-N 1 3 337.464 0.860 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C2)CC1 ZINC000377195454 301329509 /nfs/dbraw/zinc/32/95/09/301329509.db2.gz FIUYOUQHDJGRBE-FUHWJXTLSA-N 1 3 330.476 0.841 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C2)CC1 ZINC000377195454 301329511 /nfs/dbraw/zinc/32/95/11/301329511.db2.gz FIUYOUQHDJGRBE-FUHWJXTLSA-N 1 3 330.476 0.841 20 0 ECADHO CCN1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000050798805 436477816 /nfs/dbraw/zinc/47/78/16/436477816.db2.gz MVVHZSMKEOJQRU-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO COC(=O)CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759696 436496100 /nfs/dbraw/zinc/49/61/00/436496100.db2.gz XHIMBXROTCHWJZ-UHFFFAOYSA-N 1 3 340.468 0.797 20 0 ECADHO CN1CCC[C@H]1CNC(=O)C1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000531634767 302060414 /nfs/dbraw/zinc/06/04/14/302060414.db2.gz NCPHIWQILVXZIV-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCC[C@H]1CNC(=O)C1(C(=O)NC[C@@H]2CCC[N@H+]2C)CCC1 ZINC000531634767 302060417 /nfs/dbraw/zinc/06/04/17/302060417.db2.gz NCPHIWQILVXZIV-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)N1CCN(C)CC1 ZINC000112742083 436633924 /nfs/dbraw/zinc/63/39/24/436633924.db2.gz HTBLMPSFOIOORY-QGZVFWFLSA-N 1 3 339.528 0.996 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000535014631 302116145 /nfs/dbraw/zinc/11/61/45/302116145.db2.gz PIOWNFWNODIENE-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000552518440 302394006 /nfs/dbraw/zinc/39/40/06/302394006.db2.gz CKRXKZTVZOTXAL-AWEZNQCLSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C2CC[NH2+]CC2)c1 ZINC000237173047 436725368 /nfs/dbraw/zinc/72/53/68/436725368.db2.gz LRKOUDLIXIORHH-UHFFFAOYSA-N 1 3 332.448 0.594 20 0 ECADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)n1 ZINC000152413319 436729743 /nfs/dbraw/zinc/72/97/43/436729743.db2.gz OUWGECVPARMNHS-CQSZACIVSA-N 1 3 348.451 0.080 20 0 ECADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000237877446 436747366 /nfs/dbraw/zinc/74/73/66/436747366.db2.gz MYAQWDSPTMPQHU-ALOPSCKCSA-N 1 3 348.491 0.674 20 0 ECADHO [NH3+]Cc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000237948019 436750720 /nfs/dbraw/zinc/75/07/20/436750720.db2.gz YHHQAAFJSFOVLL-UHFFFAOYSA-N 1 3 330.432 0.526 20 0 ECADHO CC(C)[C@@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154330462 436776186 /nfs/dbraw/zinc/77/61/86/436776186.db2.gz FLSRVBOHKZGHNF-INIZCTEOSA-N 1 3 326.485 0.861 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246561674 436781589 /nfs/dbraw/zinc/78/15/89/436781589.db2.gz ZBNMHZFLOIBUFU-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246561674 436781591 /nfs/dbraw/zinc/78/15/91/436781591.db2.gz ZBNMHZFLOIBUFU-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO CC(C)n1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000130546829 436839437 /nfs/dbraw/zinc/83/94/37/436839437.db2.gz IMHJXQQVVUDMLS-UHFFFAOYSA-N 1 3 338.456 0.354 20 0 ECADHO C[C@@H]1CC[C@H](C(N)=O)CN1C/C=C\C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000255213742 436852041 /nfs/dbraw/zinc/85/20/41/436852041.db2.gz KRHBODMJWUVXFK-XZBYNNTFSA-N 1 3 336.480 0.714 20 0 ECADHO C[C@@H]1CC[C@H](C(N)=O)CN1C/C=C\C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000255213742 436852044 /nfs/dbraw/zinc/85/20/44/436852044.db2.gz KRHBODMJWUVXFK-XZBYNNTFSA-N 1 3 336.480 0.714 20 0 ECADHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C/C=C\CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000255213742 436852049 /nfs/dbraw/zinc/85/20/49/436852049.db2.gz KRHBODMJWUVXFK-XZBYNNTFSA-N 1 3 336.480 0.714 20 0 ECADHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C/C=C\CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000255213742 436852052 /nfs/dbraw/zinc/85/20/52/436852052.db2.gz KRHBODMJWUVXFK-XZBYNNTFSA-N 1 3 336.480 0.714 20 0 ECADHO CCN(CCO)CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000274701871 436861965 /nfs/dbraw/zinc/86/19/65/436861965.db2.gz YINVGPSAKRYDPN-UHFFFAOYSA-N 1 3 348.491 0.699 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC000128935494 436822900 /nfs/dbraw/zinc/82/29/00/436822900.db2.gz HWDUMSKNGIRANC-HNNXBMFYSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC000128935494 436822901 /nfs/dbraw/zinc/82/29/01/436822901.db2.gz HWDUMSKNGIRANC-HNNXBMFYSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC000128935494 436822905 /nfs/dbraw/zinc/82/29/05/436822905.db2.gz HWDUMSKNGIRANC-HNNXBMFYSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC000128935494 436822907 /nfs/dbraw/zinc/82/29/07/436822907.db2.gz HWDUMSKNGIRANC-HNNXBMFYSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC000128935494 436822910 /nfs/dbraw/zinc/82/29/10/436822910.db2.gz HWDUMSKNGIRANC-HNNXBMFYSA-N 1 3 326.485 0.678 20 0 ECADHO CN(C)[C@]1(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CCSC1 ZINC000262327732 436924651 /nfs/dbraw/zinc/92/46/51/436924651.db2.gz RYYSVKHXPWWABZ-HNNXBMFYSA-N 1 3 337.493 0.515 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000420470116 302805660 /nfs/dbraw/zinc/80/56/60/302805660.db2.gz ZTTCNZPJEYJNAV-UHFFFAOYSA-N 1 3 345.513 0.667 20 0 ECADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1cccc(OC)c1 ZINC000262424866 436931866 /nfs/dbraw/zinc/93/18/66/436931866.db2.gz QZJARUBBJIJMKN-DJIMGWMZSA-N 1 3 335.448 0.917 20 0 ECADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262466484 436935185 /nfs/dbraw/zinc/93/51/85/436935185.db2.gz GHIRCTDGNRCESP-ROUUACIJSA-N 1 3 346.475 0.428 20 0 ECADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262458693 436935385 /nfs/dbraw/zinc/93/53/85/436935385.db2.gz FNHHICFSABTBGL-HZPDHXFCSA-N 1 3 335.473 0.939 20 0 ECADHO NCC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@H]2c2cccc(F)c2)C1 ZINC000414742948 303366337 /nfs/dbraw/zinc/36/63/37/303366337.db2.gz UUQYDOLBXNVJFC-PBHICJAKSA-N 1 3 334.439 0.969 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420021913 303400904 /nfs/dbraw/zinc/40/09/04/303400904.db2.gz UTJANRQYCKAFSE-HRCADAONSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCC[NH2+]C1 ZINC000331628607 437133024 /nfs/dbraw/zinc/13/30/24/437133024.db2.gz LOUCAQOIXGPUPH-QAPCUYQASA-N 1 3 336.480 0.579 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331987115 437191215 /nfs/dbraw/zinc/19/12/15/437191215.db2.gz UDBUCYPSGFRJLH-JJXSEGSLSA-N 1 3 336.480 0.563 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423228401 303532072 /nfs/dbraw/zinc/53/20/72/303532072.db2.gz ZLULHGJPJYLKOP-LPHOPBHVSA-N 1 3 348.491 0.675 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000331854652 437169086 /nfs/dbraw/zinc/16/90/86/437169086.db2.gz PDLNCBPDHRBXBR-QLFBSQMISA-N 1 3 337.468 0.062 20 0 ECADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000332591904 437234220 /nfs/dbraw/zinc/23/42/20/437234220.db2.gz GJTWEAJJVAFEFC-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](N)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000178881194 437236649 /nfs/dbraw/zinc/23/66/49/437236649.db2.gz HCLFINRCYGANPJ-HOTGVXAUSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@H]([NH3+])C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000178881194 437236654 /nfs/dbraw/zinc/23/66/54/437236654.db2.gz HCLFINRCYGANPJ-HOTGVXAUSA-N 1 3 331.464 0.789 20 0 ECADHO NS(=O)(=O)c1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000178978648 437246606 /nfs/dbraw/zinc/24/66/06/437246606.db2.gz IYXSBDDWGLWZRV-UHFFFAOYSA-N 1 3 338.477 0.456 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1(C)C ZINC000333731656 437282970 /nfs/dbraw/zinc/28/29/70/437282970.db2.gz HXKOBMDOQWPBEC-ARFHVFGLSA-N 1 3 337.512 0.700 20 0 ECADHO COc1cc(CNC(=O)C[C@H](C[NH3+])OC)ccc1OCCN(C)C ZINC000278292883 437300492 /nfs/dbraw/zinc/30/04/92/437300492.db2.gz RDZDRYJGPOIFNB-CQSZACIVSA-N 1 3 339.436 0.616 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000182335154 437345475 /nfs/dbraw/zinc/34/54/75/437345475.db2.gz YTUOILNJZABPGM-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182331212 437346623 /nfs/dbraw/zinc/34/66/23/437346623.db2.gz MBEHFYWCMMDKQM-INIZCTEOSA-N 1 3 327.517 0.996 20 0 ECADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000337642747 437373729 /nfs/dbraw/zinc/37/37/29/437373729.db2.gz GUKQUZSYFAQRPL-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000337642747 437373731 /nfs/dbraw/zinc/37/37/31/437373731.db2.gz GUKQUZSYFAQRPL-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCNC(=O)NC ZINC000339655316 437484317 /nfs/dbraw/zinc/48/43/17/437484317.db2.gz LPAKCBYFXUKEJQ-AWEZNQCLSA-N 1 3 327.473 0.180 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCNC(=O)NC ZINC000339655316 437484320 /nfs/dbraw/zinc/48/43/20/437484320.db2.gz LPAKCBYFXUKEJQ-AWEZNQCLSA-N 1 3 327.473 0.180 20 0 ECADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339949418 437527881 /nfs/dbraw/zinc/52/78/81/437527881.db2.gz BDWNJNFYOYSPIW-UHFFFAOYSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000343292116 437547312 /nfs/dbraw/zinc/54/73/12/437547312.db2.gz DSHMJYPOYRPAQH-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000343292116 437547316 /nfs/dbraw/zinc/54/73/16/437547316.db2.gz DSHMJYPOYRPAQH-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000340478544 437656798 /nfs/dbraw/zinc/65/67/98/437656798.db2.gz KNHYGBAHTSWKIR-IXDOHACOSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000340478544 437656804 /nfs/dbraw/zinc/65/68/04/437656804.db2.gz KNHYGBAHTSWKIR-IXDOHACOSA-N 1 3 348.491 0.816 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340479074 437657253 /nfs/dbraw/zinc/65/72/53/437657253.db2.gz OYKBKDZRBPCRQA-HZMVEIRTSA-N 1 3 348.491 0.815 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340479074 437657260 /nfs/dbraw/zinc/65/72/60/437657260.db2.gz OYKBKDZRBPCRQA-HZMVEIRTSA-N 1 3 348.491 0.815 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343789443 437659057 /nfs/dbraw/zinc/65/90/57/437659057.db2.gz WCLBLXAQIZFTKQ-ZBFHGGJFSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000343789443 437659062 /nfs/dbraw/zinc/65/90/62/437659062.db2.gz WCLBLXAQIZFTKQ-ZBFHGGJFSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000340501786 437673229 /nfs/dbraw/zinc/67/32/29/437673229.db2.gz ZOEHECJIJFVDOU-UHFFFAOYSA-N 1 3 338.496 0.776 20 0 ECADHO CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000331045226 437676447 /nfs/dbraw/zinc/67/64/47/437676447.db2.gz FLSMTORMPZLVOJ-BFYDXBDKSA-N 1 3 327.469 0.258 20 0 ECADHO CCOC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000331045226 437676451 /nfs/dbraw/zinc/67/64/51/437676451.db2.gz FLSMTORMPZLVOJ-BFYDXBDKSA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000343920724 437699175 /nfs/dbraw/zinc/69/91/75/437699175.db2.gz HOJYPDXSTAJGJC-HOTGVXAUSA-N 1 3 346.541 0.226 20 0 ECADHO C[C@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000343920724 437699181 /nfs/dbraw/zinc/69/91/81/437699181.db2.gz HOJYPDXSTAJGJC-HOTGVXAUSA-N 1 3 346.541 0.226 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000344001124 437717777 /nfs/dbraw/zinc/71/77/77/437717777.db2.gz WQIUQNBYYUKJNW-ILXRZTDVSA-N 1 3 332.514 0.577 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000344001124 437717780 /nfs/dbraw/zinc/71/77/80/437717780.db2.gz WQIUQNBYYUKJNW-ILXRZTDVSA-N 1 3 332.514 0.577 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)C1CC1 ZINC000356464924 437769171 /nfs/dbraw/zinc/76/91/71/437769171.db2.gz WUXDUAWGIROCFP-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)C1CC1 ZINC000356464924 437769176 /nfs/dbraw/zinc/76/91/76/437769176.db2.gz WUXDUAWGIROCFP-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362566003 437743647 /nfs/dbraw/zinc/74/36/47/437743647.db2.gz WDMSFSITKAPCAE-KGLIPLIRSA-N 1 3 334.468 0.242 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423734790 437818511 /nfs/dbraw/zinc/81/85/11/437818511.db2.gz WKOODHKRPPVEOJ-DLTWYDFYSA-N 1 3 338.496 0.950 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423734790 437818515 /nfs/dbraw/zinc/81/85/15/437818515.db2.gz WKOODHKRPPVEOJ-DLTWYDFYSA-N 1 3 338.496 0.950 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCCN1CCC([NH3+])CC1 ZINC000423751515 437824408 /nfs/dbraw/zinc/82/44/08/437824408.db2.gz VCUKPEHFAIWBNQ-KRWDZBQOSA-N 1 3 340.512 0.759 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423761746 437826062 /nfs/dbraw/zinc/82/60/62/437826062.db2.gz SFNDKIOOASVLLF-HUUCEWRRSA-N 1 3 325.453 0.753 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415430558 437803156 /nfs/dbraw/zinc/80/31/56/437803156.db2.gz CNLLBLJXSXYKCN-HNNXBMFYSA-N 1 3 336.436 0.665 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nccn1C ZINC000341161966 437805035 /nfs/dbraw/zinc/80/50/35/437805035.db2.gz LGGCUNDOGFFKQR-HNNXBMFYSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nccn1C ZINC000341161966 437805041 /nfs/dbraw/zinc/80/50/41/437805041.db2.gz LGGCUNDOGFFKQR-HNNXBMFYSA-N 1 3 336.484 0.978 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)CC[C@H]1[NH3+] ZINC000415463744 437809340 /nfs/dbraw/zinc/80/93/40/437809340.db2.gz QIBHHCMIQDXMSO-XJKSGUPXSA-N 1 3 348.447 0.761 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[C@H]1CN ZINC000423718423 437812018 /nfs/dbraw/zinc/81/20/18/437812018.db2.gz BYXOAYHEGACNCA-OAGGEKHMSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[C@H]1CN ZINC000423718423 437812022 /nfs/dbraw/zinc/81/20/22/437812022.db2.gz BYXOAYHEGACNCA-OAGGEKHMSA-N 1 3 338.496 0.905 20 0 ECADHO CCN1CCN(CCCCNC(=O)[C@]2(CCOC)CC[NH2+]C2)CC1 ZINC000370766929 437831616 /nfs/dbraw/zinc/83/16/16/437831616.db2.gz QHDMCZINBUXAKG-SFHVURJKSA-N 1 3 340.512 0.537 20 0 ECADHO CN(C)CCN(C)C(=O)[C@H]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000341404989 437840485 /nfs/dbraw/zinc/84/04/85/437840485.db2.gz NEMBCWHGZFKLQZ-HOTGVXAUSA-N 1 3 340.512 0.833 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000415772406 437857307 /nfs/dbraw/zinc/85/73/07/437857307.db2.gz TZZKIGHRYJELJF-ZBFHGGJFSA-N 1 3 330.432 0.897 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)[C@H](CC)N(C)C)C1)[NH+](C)C ZINC000357209609 437933494 /nfs/dbraw/zinc/93/34/94/437933494.db2.gz RQMUBQVBUVRZGW-CABCVRRESA-N 1 3 326.485 0.726 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000357209609 437933498 /nfs/dbraw/zinc/93/34/98/437933498.db2.gz RQMUBQVBUVRZGW-CABCVRRESA-N 1 3 326.485 0.726 20 0 ECADHO CCN(C)C(=O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000357002043 437885069 /nfs/dbraw/zinc/88/50/69/437885069.db2.gz OMMJBEIGLWTZCC-UHFFFAOYSA-N 1 3 339.484 0.323 20 0 ECADHO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C(F)(F)F ZINC000416039427 437886678 /nfs/dbraw/zinc/88/66/78/437886678.db2.gz GMARKZGQUKBFHO-MNOVXSKESA-N 1 3 326.363 0.412 20 0 ECADHO C[C@H]1CC2(CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)CC[NH2+]CC2 ZINC000424221007 437903983 /nfs/dbraw/zinc/90/39/83/437903983.db2.gz BDHHMBSWNDXNMV-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000365664973 437948065 /nfs/dbraw/zinc/94/80/65/437948065.db2.gz DIZZTIIBHYOCCH-INIZCTEOSA-N 1 3 328.501 0.438 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000365664973 437948067 /nfs/dbraw/zinc/94/80/67/437948067.db2.gz DIZZTIIBHYOCCH-INIZCTEOSA-N 1 3 328.501 0.438 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000365664973 437948072 /nfs/dbraw/zinc/94/80/72/437948072.db2.gz DIZZTIIBHYOCCH-INIZCTEOSA-N 1 3 328.501 0.438 20 0 ECADHO CC[C@H](CNC(=O)N(CC[NH3+])CCO)N1CCc2ccccc2C1 ZINC000417023234 438017675 /nfs/dbraw/zinc/01/76/75/438017675.db2.gz VSLGDCPWULTUEX-QGZVFWFLSA-N 1 3 334.464 0.786 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417369116 438043846 /nfs/dbraw/zinc/04/38/46/438043846.db2.gz PPFVCJCLCKXUKG-HNNXBMFYSA-N 1 3 334.468 0.630 20 0 ECADHO CCC[NH2+]CCNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417370593 438044897 /nfs/dbraw/zinc/04/48/97/438044897.db2.gz UEBJHWBSPOKHCO-UHFFFAOYSA-N 1 3 348.495 0.893 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417426964 438048244 /nfs/dbraw/zinc/04/82/44/438048244.db2.gz HUYVXKSFMAVIFT-RBSFLKMASA-N 1 3 339.484 0.226 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417430257 438048328 /nfs/dbraw/zinc/04/83/28/438048328.db2.gz PASRNSWOMLGGNL-RUXDESIVSA-N 1 3 325.457 0.060 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417425875 438048343 /nfs/dbraw/zinc/04/83/43/438048343.db2.gz FHMNUGKZVHJTRK-HUUCEWRRSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@H]1NCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H]1C ZINC000417433068 438049262 /nfs/dbraw/zinc/04/92/62/438049262.db2.gz UWPSUOIXMOFWHK-KKUMJFAQSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H]1NCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H]1C ZINC000417433068 438049265 /nfs/dbraw/zinc/04/92/65/438049265.db2.gz UWPSUOIXMOFWHK-KKUMJFAQSA-N 1 3 339.484 0.321 20 0 ECADHO CN(C)[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416798269 437992715 /nfs/dbraw/zinc/99/27/15/437992715.db2.gz BVWPLNGWQFRJJZ-QZTJIDSGSA-N 1 3 345.491 0.978 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCN1C ZINC000348003637 437997677 /nfs/dbraw/zinc/99/76/77/437997677.db2.gz HXKHQVMPECYOAH-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000348015283 437998586 /nfs/dbraw/zinc/99/85/86/437998586.db2.gz NMFYNXDITDIDCZ-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000348021169 438001818 /nfs/dbraw/zinc/00/18/18/438001818.db2.gz QSCSFYZUWJYPKK-CABCVRRESA-N 1 3 342.484 0.060 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000416969556 438007318 /nfs/dbraw/zinc/00/73/18/438007318.db2.gz KVZFZXYJRIEYCV-INIZCTEOSA-N 1 3 349.479 0.330 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000416973515 438010044 /nfs/dbraw/zinc/01/00/44/438010044.db2.gz VEYLRYWRFDLMFE-UHFFFAOYSA-N 1 3 349.479 0.331 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)CC[NH2+]1 ZINC000417947917 438093774 /nfs/dbraw/zinc/09/37/74/438093774.db2.gz IJFUUIZHSOQXNF-UKRRQHHQSA-N 1 3 335.452 0.962 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)C1 ZINC000357903434 438095390 /nfs/dbraw/zinc/09/53/90/438095390.db2.gz GLNUIRYBLLLAME-VNQPRFMTSA-N 1 3 346.431 0.045 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)C1 ZINC000357903434 438095392 /nfs/dbraw/zinc/09/53/92/438095392.db2.gz GLNUIRYBLLLAME-VNQPRFMTSA-N 1 3 346.431 0.045 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417989750 438096985 /nfs/dbraw/zinc/09/69/85/438096985.db2.gz JPDCFIIJDHQTPP-PBHICJAKSA-N 1 3 334.464 0.908 20 0 ECADHO CN(Cc1ccccc1)[C@H](CNC(=O)N(CC[NH3+])CCO)C1CC1 ZINC000418148128 438110967 /nfs/dbraw/zinc/11/09/67/438110967.db2.gz QUYBIBWQPRWXBB-QGZVFWFLSA-N 1 3 334.464 0.860 20 0 ECADHO CN(C)CCOc1cnccc1CNC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418199002 438117123 /nfs/dbraw/zinc/11/71/23/438117123.db2.gz WMCVUJDCFWVIBJ-HIFRSBDPSA-N 1 3 335.452 0.949 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000430780962 438120915 /nfs/dbraw/zinc/12/09/15/438120915.db2.gz QOBXCUHNGJLLKU-HOTGVXAUSA-N 1 3 327.469 0.714 20 0 ECADHO O=C(CNC(=O)NCC[C@@H]1CC[NH2+]C1)NCCN1CCCCCC1 ZINC000418347520 438133016 /nfs/dbraw/zinc/13/30/16/438133016.db2.gz VVKMAEOAAHWTDZ-HNNXBMFYSA-N 1 3 339.484 0.277 20 0 ECADHO O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418388318 438138734 /nfs/dbraw/zinc/13/87/34/438138734.db2.gz UURRPKGJPWHOHM-KSZLIROESA-N 1 3 346.475 0.921 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418373451 438135795 /nfs/dbraw/zinc/13/57/95/438135795.db2.gz BUYXIMOEDFXSOR-FUHWJXTLSA-N 1 3 334.464 0.906 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418373474 438135939 /nfs/dbraw/zinc/13/59/39/438135939.db2.gz BVLZMQDOGBCEMN-INIZCTEOSA-N 1 3 325.501 0.798 20 0 ECADHO C[N@@H+]1CC[C@@](O)(CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000358059059 438137591 /nfs/dbraw/zinc/13/75/91/438137591.db2.gz CWTOUPXDSGCQGV-QGZVFWFLSA-N 1 3 325.453 0.204 20 0 ECADHO C[N@H+]1CC[C@@](O)(CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000358059059 438137593 /nfs/dbraw/zinc/13/75/93/438137593.db2.gz CWTOUPXDSGCQGV-QGZVFWFLSA-N 1 3 325.453 0.204 20 0 ECADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000367181238 438179033 /nfs/dbraw/zinc/17/90/33/438179033.db2.gz XKJVOTWHQPCNBW-SUJAAXHWSA-N 1 3 325.453 0.498 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000418775138 438186504 /nfs/dbraw/zinc/18/65/04/438186504.db2.gz WBWNPPMDYQBRNL-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000358098404 438150575 /nfs/dbraw/zinc/15/05/75/438150575.db2.gz OTLJPTJUOOJDFB-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000358098404 438150578 /nfs/dbraw/zinc/15/05/78/438150578.db2.gz OTLJPTJUOOJDFB-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000358117607 438157538 /nfs/dbraw/zinc/15/75/38/438157538.db2.gz XKVUIECMFLWEHR-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358117607 438157542 /nfs/dbraw/zinc/15/75/42/438157542.db2.gz XKVUIECMFLWEHR-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418585698 438162165 /nfs/dbraw/zinc/16/21/65/438162165.db2.gz DTSQKZSNJWZKJL-KGLIPLIRSA-N 1 3 333.436 0.920 20 0 ECADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000418647595 438171168 /nfs/dbraw/zinc/17/11/68/438171168.db2.gz GTZKALQUEIUZGW-FUHWJXTLSA-N 1 3 345.491 0.938 20 0 ECADHO COC[C@]1(CNC(=O)N(CCN(C)C)Cc2ccccn2)CCC[NH2+]1 ZINC000418646914 438171351 /nfs/dbraw/zinc/17/13/51/438171351.db2.gz XNCVBUZCHSWQCF-GOSISDBHSA-N 1 3 349.479 0.923 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418846366 438215239 /nfs/dbraw/zinc/21/52/39/438215239.db2.gz XUUZGZZQGYFVCY-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418849126 438215409 /nfs/dbraw/zinc/21/54/09/438215409.db2.gz CPYKKLCIUCLFAV-IRXDYDNUSA-N 1 3 346.475 0.486 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000418849332 438215970 /nfs/dbraw/zinc/21/59/70/438215970.db2.gz MOYHOWKUOVKTNK-DLBZAZTESA-N 1 3 346.475 0.343 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000418864658 438224273 /nfs/dbraw/zinc/22/42/73/438224273.db2.gz IKGNOPMDMDDBFT-OAHLLOKOSA-N 1 3 326.485 0.858 20 0 ECADHO C[C@@H](O)CN1CCN(C(=O)CCCN2CCC([NH3+])CC2)C[C@H]1C ZINC000433134635 438227358 /nfs/dbraw/zinc/22/73/58/438227358.db2.gz GZOXXDLRSREREI-HUUCEWRRSA-N 1 3 326.485 0.103 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000418872400 438228832 /nfs/dbraw/zinc/22/88/32/438228832.db2.gz WNIKZZRGKXCFNI-UONOGXRCSA-N 1 3 326.485 0.857 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418832491 438205467 /nfs/dbraw/zinc/20/54/67/438205467.db2.gz ZHWNMAKVUTYBMP-HNAYVOBHSA-N 1 3 346.475 0.868 20 0 ECADHO O[C@@H]1c2ccccc2C[C@@H]1N1CCN(CCN2CCCOCC2)CC1 ZINC000367459828 438210297 /nfs/dbraw/zinc/21/02/97/438210297.db2.gz WMVNKGROKXZOCJ-VQTJNVASSA-N 1 3 345.487 0.985 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418950305 438262044 /nfs/dbraw/zinc/26/20/44/438262044.db2.gz QKSGOONYMRHLCU-NVXWUHKLSA-N 1 3 346.475 0.834 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418995772 438277684 /nfs/dbraw/zinc/27/76/84/438277684.db2.gz MQTFTTBBXISLBV-CZUORRHYSA-N 1 3 332.448 0.560 20 0 ECADHO CCc1ccc([C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000351554484 438286715 /nfs/dbraw/zinc/28/67/15/438286715.db2.gz IPWQMAIWLFUZOH-DLBZAZTESA-N 1 3 346.475 0.836 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419024345 438292705 /nfs/dbraw/zinc/29/27/05/438292705.db2.gz KPFUFONFMGGFNJ-OAGGEKHMSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419024370 438294067 /nfs/dbraw/zinc/29/40/67/438294067.db2.gz KRUPXROZSYHRDD-ILXRZTDVSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419127019 438333693 /nfs/dbraw/zinc/33/36/93/438333693.db2.gz YYDBEEADXFWRAU-CRAIPNDOSA-N 1 3 338.496 0.873 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419132804 438339673 /nfs/dbraw/zinc/33/96/73/438339673.db2.gz FCERAFZNYURDFU-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419132804 438339676 /nfs/dbraw/zinc/33/96/76/438339676.db2.gz FCERAFZNYURDFU-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000419045438 438303501 /nfs/dbraw/zinc/30/35/01/438303501.db2.gz NYEFKVLGBVNGJF-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000419074898 438311228 /nfs/dbraw/zinc/31/12/28/438311228.db2.gz FKENZFQIABJQLC-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419076232 438313725 /nfs/dbraw/zinc/31/37/25/438313725.db2.gz GZARAUNIPGDMKN-OAGGEKHMSA-N 1 3 338.496 0.953 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000419425337 438357582 /nfs/dbraw/zinc/35/75/82/438357582.db2.gz PJDFGPGTHUAOPS-IAGOWNOFSA-N 1 3 344.459 0.793 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2CCCCN2CC)CC1 ZINC000419590417 438362558 /nfs/dbraw/zinc/36/25/58/438362558.db2.gz QJFDIYAAZULLDA-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)C1CC1 ZINC000419527515 438363570 /nfs/dbraw/zinc/36/35/70/438363570.db2.gz VHTPYSWSSUBEOL-UHFFFAOYSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)(O)CN1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000368702264 438370539 /nfs/dbraw/zinc/37/05/39/438370539.db2.gz SSCFOCQFZAOQFV-HNNXBMFYSA-N 1 3 338.496 0.959 20 0 ECADHO CC(C)(O)CN1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000368702264 438370543 /nfs/dbraw/zinc/37/05/43/438370543.db2.gz SSCFOCQFZAOQFV-HNNXBMFYSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000419892382 438375394 /nfs/dbraw/zinc/37/53/94/438375394.db2.gz NYUHGHGSNBBWKE-LVQVYYBASA-N 1 3 338.496 0.870 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419978102 438380166 /nfs/dbraw/zinc/38/01/66/438380166.db2.gz NSIWAZWXKHHIPH-HZPDHXFCSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352097657 438381078 /nfs/dbraw/zinc/38/10/78/438381078.db2.gz VCYYTBPIQQVJNF-UXLLHSPISA-N 1 3 340.512 0.960 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352097657 438381083 /nfs/dbraw/zinc/38/10/83/438381083.db2.gz VCYYTBPIQQVJNF-UXLLHSPISA-N 1 3 340.512 0.960 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)CC1=O ZINC000368814587 438382717 /nfs/dbraw/zinc/38/27/17/438382717.db2.gz UISXAUJTRXAVMS-OVYGPGRDSA-N 1 3 348.491 0.800 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038613 438384037 /nfs/dbraw/zinc/38/40/37/438384037.db2.gz NCWSOXHAJREGGV-IHRRRGAJSA-N 1 3 340.468 0.157 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038613 438384039 /nfs/dbraw/zinc/38/40/39/438384039.db2.gz NCWSOXHAJREGGV-IHRRRGAJSA-N 1 3 340.468 0.157 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C)C(C)C ZINC000420680825 438422972 /nfs/dbraw/zinc/42/29/72/438422972.db2.gz YJTLMCZEFFAXQG-OAHLLOKOSA-N 1 3 326.485 0.774 20 0 ECADHO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000420311590 438397119 /nfs/dbraw/zinc/39/71/19/438397119.db2.gz NRGHTEPZKCNNPM-CABCVRRESA-N 1 3 325.453 0.991 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000359265167 438399487 /nfs/dbraw/zinc/39/94/87/438399487.db2.gz QRBGRZBNVMKZRV-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000359265167 438399490 /nfs/dbraw/zinc/39/94/90/438399490.db2.gz QRBGRZBNVMKZRV-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328848 438400826 /nfs/dbraw/zinc/40/08/26/438400826.db2.gz NCLZOCSBCYBGIH-ILXRZTDVSA-N 1 3 336.480 0.433 20 0 ECADHO CCN(CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)C1CC1 ZINC000359320832 438412871 /nfs/dbraw/zinc/41/28/71/438412871.db2.gz KOQHLLNYLWJKSK-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000394342285 438446842 /nfs/dbraw/zinc/44/68/42/438446842.db2.gz HQTNYJFGSUJEKA-CABCVRRESA-N 1 3 332.452 0.901 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000421783403 438499577 /nfs/dbraw/zinc/49/95/77/438499577.db2.gz GUMVSVNOVOLULS-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422290388 438545508 /nfs/dbraw/zinc/54/55/08/438545508.db2.gz APSZNZRGZBRZJQ-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422290388 438545514 /nfs/dbraw/zinc/54/55/14/438545514.db2.gz APSZNZRGZBRZJQ-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000370300697 438569439 /nfs/dbraw/zinc/56/94/39/438569439.db2.gz PCILJJSSALUSGF-HOTGVXAUSA-N 1 3 342.484 0.195 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000370300697 438569442 /nfs/dbraw/zinc/56/94/42/438569442.db2.gz PCILJJSSALUSGF-HOTGVXAUSA-N 1 3 342.484 0.195 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410432238 438584087 /nfs/dbraw/zinc/58/40/87/438584087.db2.gz JNFOKIBBQJLLCZ-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410432238 438584088 /nfs/dbraw/zinc/58/40/88/438584088.db2.gz JNFOKIBBQJLLCZ-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422989071 438626136 /nfs/dbraw/zinc/62/61/36/438626136.db2.gz LNPMMVSVSVTARC-ARFHVFGLSA-N 1 3 348.495 0.997 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423255675 438653356 /nfs/dbraw/zinc/65/33/56/438653356.db2.gz AMLJCAXHZQBBND-RVKKMQEKSA-N 1 3 336.480 0.517 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1=O ZINC000453035014 438681385 /nfs/dbraw/zinc/68/13/85/438681385.db2.gz LSMPWAFAYLCIRP-LUKYLMHMSA-N 1 3 348.491 0.482 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1=O ZINC000453035014 438681388 /nfs/dbraw/zinc/68/13/88/438681388.db2.gz LSMPWAFAYLCIRP-LUKYLMHMSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)CCn1ccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)n1 ZINC000449340212 438687316 /nfs/dbraw/zinc/68/73/16/438687316.db2.gz NEOMUVKOCJLXMS-GOSISDBHSA-N 1 3 327.432 1.315 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423554155 438687322 /nfs/dbraw/zinc/68/73/22/438687322.db2.gz LDLVKOWELNJQBP-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO COc1ccnc(N2CCN(C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000414692677 438715308 /nfs/dbraw/zinc/71/53/08/438715308.db2.gz KTOAZCJUDNVWEU-HNNXBMFYSA-N 1 3 347.463 0.410 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000575062397 438736278 /nfs/dbraw/zinc/73/62/78/438736278.db2.gz JXLVQSCKQGBKDR-UHFFFAOYSA-N 1 3 332.408 0.820 20 0 ECADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NC1CNC1 ZINC000575775690 438755164 /nfs/dbraw/zinc/75/51/64/438755164.db2.gz FOPGHNMSMUZUAF-UHFFFAOYSA-N 1 3 334.420 0.434 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)NC3CC3)CC2)CC1 ZINC000557457324 438800653 /nfs/dbraw/zinc/80/06/53/438800653.db2.gz PQFTVOQUTRWOTJ-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[N@@H+]1C ZINC000558218235 438805147 /nfs/dbraw/zinc/80/51/47/438805147.db2.gz SQPQZMJOWDPCNN-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[N@H+]1C ZINC000558218235 438805150 /nfs/dbraw/zinc/80/51/50/438805150.db2.gz SQPQZMJOWDPCNN-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000575970809 438761895 /nfs/dbraw/zinc/76/18/95/438761895.db2.gz BTBUGEDXEVPRAK-AAEUAGOBSA-N 1 3 334.420 0.643 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)C2)C1 ZINC000515165082 438852973 /nfs/dbraw/zinc/85/29/73/438852973.db2.gz UNWBGAUPHPYOTR-GGXPGOJBSA-N 1 3 348.491 0.517 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)CCN3CCCC3=O)CC2)CC1 ZINC000589948185 438894927 /nfs/dbraw/zinc/89/49/27/438894927.db2.gz OIHAGPOQVJHLKW-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000515384771 438867484 /nfs/dbraw/zinc/86/74/84/438867484.db2.gz ZDNOJLHTFRUUOL-UHFFFAOYSA-N 1 3 348.495 0.058 20 0 ECADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)CN1CCOCC1 ZINC000564852916 438879655 /nfs/dbraw/zinc/87/96/55/438879655.db2.gz UQGMIRUIAQDEOI-KZNAEPCWSA-N 1 3 341.496 0.037 20 0 ECADHO CCOC(=O)CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910014 438884462 /nfs/dbraw/zinc/88/44/62/438884462.db2.gz FXPRPYNFNPCZGK-AWEZNQCLSA-N 1 3 335.452 0.952 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000578646834 438943426 /nfs/dbraw/zinc/94/34/26/438943426.db2.gz OCZYNGXEOYBCSQ-CQSZACIVSA-N 1 3 325.453 0.767 20 0 ECADHO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[C@H](N2CCCCC2)C1 ZINC000578440088 438924137 /nfs/dbraw/zinc/92/41/37/438924137.db2.gz HHGKHLYYOUJFKG-CABCVRRESA-N 1 3 332.452 0.731 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000459047440 438939672 /nfs/dbraw/zinc/93/96/72/438939672.db2.gz WLKDCZWHPCYPRC-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO C[C@H](CN1CCOCC1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000517373286 438963866 /nfs/dbraw/zinc/96/38/66/438963866.db2.gz XNJBOAOZKFWXDN-ZACQAIPSSA-N 1 3 338.496 0.287 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)CN(C)C)C1 ZINC000459535685 438971198 /nfs/dbraw/zinc/97/11/98/438971198.db2.gz KSRBFNPVQNCVNH-OAHLLOKOSA-N 1 3 328.501 0.389 20 0 ECADHO CC(C)C[C@@H](CN1CCCC1)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000579112161 438981268 /nfs/dbraw/zinc/98/12/68/438981268.db2.gz BIQRIDBOITZJIA-ROUUACIJSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC[C@H](O)CN1CCN(C)CC1 ZINC000579112161 438981272 /nfs/dbraw/zinc/98/12/72/438981272.db2.gz BIQRIDBOITZJIA-ROUUACIJSA-N 1 3 326.529 0.695 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000566058450 439000379 /nfs/dbraw/zinc/00/03/79/439000379.db2.gz MCATYSQNPJGVRB-WBVHZDCISA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000566058476 439000628 /nfs/dbraw/zinc/00/06/28/439000628.db2.gz OZYTUFVQEJRKCK-LSDHHAIUSA-N 1 3 325.501 0.700 20 0 ECADHO CN1CCC[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)[C@@H]1c1cccs1 ZINC000579936316 439048002 /nfs/dbraw/zinc/04/80/02/439048002.db2.gz CRQAHLGHCPJBAY-SMDDNHRTSA-N 1 3 336.461 0.335 20 0 ECADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000519660438 439051679 /nfs/dbraw/zinc/05/16/79/439051679.db2.gz ZIQDZXGNILLKND-NUEKZKHPSA-N 1 3 345.447 0.202 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000459995522 439052390 /nfs/dbraw/zinc/05/23/90/439052390.db2.gz OLUCKMVPLVVDBE-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000459995522 439052394 /nfs/dbraw/zinc/05/23/94/439052394.db2.gz OLUCKMVPLVVDBE-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NCCN(C)C ZINC000579611472 439025327 /nfs/dbraw/zinc/02/53/27/439025327.db2.gz MBRFDNFDKIBGED-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NCCN(C)C ZINC000579611472 439025333 /nfs/dbraw/zinc/02/53/33/439025333.db2.gz MBRFDNFDKIBGED-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO COC1(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)CC[NH2+]CC1 ZINC000566252663 439033339 /nfs/dbraw/zinc/03/33/39/439033339.db2.gz IMENGJKIKOJNTJ-UHFFFAOYSA-N 1 3 330.392 0.638 20 0 ECADHO CC(C)N1CCC[C@@H](CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)C1 ZINC000602469116 439092868 /nfs/dbraw/zinc/09/28/68/439092868.db2.gz AABZEIHZIAHMCD-FPTDNZKUSA-N 1 3 329.510 0.724 20 0 ECADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@]3(C[NH3+])CCCOC3)C2)CC1 ZINC000602480684 439095857 /nfs/dbraw/zinc/09/58/57/439095857.db2.gz IPKMULOJEZLWOU-WMZOPIPTSA-N 1 3 338.496 0.369 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000602509956 439100737 /nfs/dbraw/zinc/10/07/37/439100737.db2.gz QCEIXRSMHYTZIO-YOEHRIQHSA-N 1 3 341.452 0.145 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[N@H+](C)CC)CC1 ZINC000477724932 439106389 /nfs/dbraw/zinc/10/63/89/439106389.db2.gz RMWAMWXUHRDPIX-WKILWMFISA-N 1 3 340.512 0.929 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)CC)CC1 ZINC000477724932 439106394 /nfs/dbraw/zinc/10/63/94/439106394.db2.gz RMWAMWXUHRDPIX-WKILWMFISA-N 1 3 340.512 0.929 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000580768977 439126879 /nfs/dbraw/zinc/12/68/79/439126879.db2.gz MNUVGRLXVUQTHK-CQSZACIVSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000567361739 439135188 /nfs/dbraw/zinc/13/51/88/439135188.db2.gz HLJVOJZOVFXJAO-SFHVURJKSA-N 1 3 345.491 0.808 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000567455472 439143704 /nfs/dbraw/zinc/14/37/04/439143704.db2.gz SQUONRPVZDRMIA-JSGCOSHPSA-N 1 3 346.422 0.878 20 0 ECADHO C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC(C)CC1 ZINC000580949666 439151101 /nfs/dbraw/zinc/15/11/01/439151101.db2.gz STEFYTDOZLNJLB-CABCVRRESA-N 1 3 334.468 0.880 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000524786211 439194972 /nfs/dbraw/zinc/19/49/72/439194972.db2.gz FTLQUEHMWNEOBY-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000524786211 439194980 /nfs/dbraw/zinc/19/49/80/439194980.db2.gz FTLQUEHMWNEOBY-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000581304415 439195663 /nfs/dbraw/zinc/19/56/63/439195663.db2.gz PJLWXMHKSNZPAJ-INIZCTEOSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccccc1 ZINC000525452956 439210357 /nfs/dbraw/zinc/21/03/57/439210357.db2.gz DVVIMKJNKVZEDE-UHFFFAOYSA-N 1 3 349.479 0.551 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000592757654 439274387 /nfs/dbraw/zinc/27/43/87/439274387.db2.gz QEYDAEOCCDGUIO-JKSUJKDBSA-N 1 3 336.480 0.802 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000592757654 439274391 /nfs/dbraw/zinc/27/43/91/439274391.db2.gz QEYDAEOCCDGUIO-JKSUJKDBSA-N 1 3 336.480 0.802 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)NCCCCN1CCN(C)CC1 ZINC000527040507 439251364 /nfs/dbraw/zinc/25/13/64/439251364.db2.gz VMMLGBDDWWQZAI-UHFFFAOYSA-N 1 3 327.517 0.997 20 0 ECADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)C1 ZINC000604656283 439325465 /nfs/dbraw/zinc/32/54/65/439325465.db2.gz LCWDPGMLJNKVOL-RDJZCZTQSA-N 1 3 335.496 0.645 20 0 ECADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)C1 ZINC000604656283 439325468 /nfs/dbraw/zinc/32/54/68/439325468.db2.gz LCWDPGMLJNKVOL-RDJZCZTQSA-N 1 3 335.496 0.645 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CC(=O)NC)CC2)CC1 ZINC000582557527 439353226 /nfs/dbraw/zinc/35/32/26/439353226.db2.gz YOVSPWCKKKVKCC-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569846158 439368855 /nfs/dbraw/zinc/36/88/55/439368855.db2.gz REMHWZFCKSMVKJ-RYUDHWBXSA-N 1 3 336.436 0.937 20 0 ECADHO CN1CCN(CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000570335348 439411445 /nfs/dbraw/zinc/41/14/45/439411445.db2.gz AGEPJIAYWJOVFF-MRXNPFEDSA-N 1 3 334.468 0.175 20 0 ECADHO CN(C[C@H](O)C[NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)C1CC1 ZINC000570332834 439412180 /nfs/dbraw/zinc/41/21/80/439412180.db2.gz XOPVUXGGDVXKEB-IPMKNSEASA-N 1 3 333.476 0.667 20 0 ECADHO CN1CCN(C[C@H](O)C[NH2+]CCCN2CCc3ccccc3C2)CC1 ZINC000570379459 439412730 /nfs/dbraw/zinc/41/27/30/439412730.db2.gz MHTXMDLWHLZJBW-HXUWFJFHSA-N 1 3 346.519 0.633 20 0 ECADHO CCc1ccccc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000570474469 439422965 /nfs/dbraw/zinc/42/29/65/439422965.db2.gz ZDEDRJHDVGBWFB-UHFFFAOYSA-N 1 3 348.491 0.817 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@H](O)CN2CCN(C)CC2)C1 ZINC000583250613 439439542 /nfs/dbraw/zinc/43/95/42/439439542.db2.gz QRAUFITWALRGRE-KURKYZTESA-N 1 3 326.529 0.552 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000583310420 439446714 /nfs/dbraw/zinc/44/67/14/439446714.db2.gz UOPVUEIBJOOYQN-AWEZNQCLSA-N 1 3 348.447 0.906 20 0 ECADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583452453 439466517 /nfs/dbraw/zinc/46/65/17/439466517.db2.gz JUPOMHAVZCRUCU-KKUMJFAQSA-N 1 3 337.468 0.060 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000571063139 439472207 /nfs/dbraw/zinc/47/22/07/439472207.db2.gz FMGXMUZXOBNIPQ-SFHVURJKSA-N 1 3 336.480 0.437 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736968 439459099 /nfs/dbraw/zinc/45/90/99/439459099.db2.gz PATXSJKHKGOXAX-XUXIUFHCSA-N 1 3 326.441 0.439 20 0 ECADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(CC[NH3+])CC1 ZINC000571812102 439534486 /nfs/dbraw/zinc/53/44/86/439534486.db2.gz YEXKBGVUBCAWKS-OAHLLOKOSA-N 1 3 346.479 0.575 20 0 ECADHO C[C@@H](NCC(=O)N1CCNCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000583988423 439535051 /nfs/dbraw/zinc/53/50/51/439535051.db2.gz GHJCFDCKASKEJI-OAHLLOKOSA-N 1 3 334.464 0.709 20 0 ECADHO CN1CCN(C(=O)NCCCN2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000584161826 439555855 /nfs/dbraw/zinc/55/58/55/439555855.db2.gz ZTGNKCGMRZEGSY-GOSISDBHSA-N 1 3 345.491 0.719 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000583820268 439515479 /nfs/dbraw/zinc/51/54/79/439515479.db2.gz VYTACBDWNUTDGZ-GJZGRUSLSA-N 1 3 332.452 0.327 20 0 ECADHO CC(C)(C)OC(=O)[C@@](C)(O)CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594612775 439581493 /nfs/dbraw/zinc/58/14/93/439581493.db2.gz QZFJSQBUQKJSTC-YOEHRIQHSA-N 1 3 328.453 0.922 20 0 ECADHO C[NH+](C)CCOc1ccc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000594736333 439599732 /nfs/dbraw/zinc/59/97/32/439599732.db2.gz AOMAHOGRRPGNCJ-NVXWUHKLSA-N 1 3 332.448 0.371 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000584767893 439613995 /nfs/dbraw/zinc/61/39/95/439613995.db2.gz BAUCZIMZARILEZ-OCCSQVGLSA-N 1 3 348.447 0.891 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)CCN2C1=O ZINC000572901309 439614997 /nfs/dbraw/zinc/61/49/97/439614997.db2.gz JBHFMSMUOYZPKI-OAGGEKHMSA-N 1 3 345.447 0.420 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(=O)OC)CC2)CC1 ZINC000573586764 439655793 /nfs/dbraw/zinc/65/57/93/439655793.db2.gz JLKVZNOAEIELJO-ZDUSSCGKSA-N 1 3 325.453 0.860 20 0 ECADHO CN1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000574384345 439701519 /nfs/dbraw/zinc/70/15/19/439701519.db2.gz CIZFHWGUDKKORV-IAGOWNOFSA-N 1 3 331.464 0.636 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000574510947 439710808 /nfs/dbraw/zinc/71/08/08/439710808.db2.gz DXSDSVQPBJIQAE-OAGGEKHMSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H](NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)[C@H](C)[NH3+] ZINC000612925408 439746215 /nfs/dbraw/zinc/74/62/15/439746215.db2.gz VHRPBPYVWNZIOD-BFHYXJOUSA-N 1 3 349.483 0.444 20 0 ECADHO COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@@]3(C2)CCCN(C)C3)C1=O ZINC000595505289 439735807 /nfs/dbraw/zinc/73/58/07/439735807.db2.gz PQLCRSWECMVNDE-QAPCUYQASA-N 1 3 337.464 0.958 20 0 ECADHO COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C)C3)C1=O ZINC000595505289 439735809 /nfs/dbraw/zinc/73/58/09/439735809.db2.gz PQLCRSWECMVNDE-QAPCUYQASA-N 1 3 337.464 0.958 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000612045597 439745140 /nfs/dbraw/zinc/74/51/40/439745140.db2.gz VIPHNEYIQRDFKK-XHSDSOJGSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000612045597 439745141 /nfs/dbraw/zinc/74/51/41/439745141.db2.gz VIPHNEYIQRDFKK-XHSDSOJGSA-N 1 3 336.480 0.720 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000652378618 439830240 /nfs/dbraw/zinc/83/02/40/439830240.db2.gz UXAIJKYXOHNYQG-UHFFFAOYSA-N 1 3 343.497 0.469 20 0 ECADHO O=C(NC[C@H]1CCN(C2CC2)C1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662682758 439844064 /nfs/dbraw/zinc/84/40/64/439844064.db2.gz UGEPUTQLQFTEER-HIFRSBDPSA-N 1 3 332.452 0.807 20 0 ECADHO O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[C@@H](N2CCCC2)C1 ZINC000662709875 439855332 /nfs/dbraw/zinc/85/53/32/439855332.db2.gz UGZVNESHXLMUJQ-LSDHHAIUSA-N 1 3 332.452 0.903 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000641821009 439923515 /nfs/dbraw/zinc/92/35/15/439923515.db2.gz HXAMCYPUYAPQAV-UHFFFAOYSA-N 1 3 336.436 0.809 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000626790359 439883105 /nfs/dbraw/zinc/88/31/05/439883105.db2.gz MAUIVDAHNUCHNW-UHFFFAOYSA-N 1 3 346.431 0.708 20 0 ECADHO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)C1CC1 ZINC000626803539 439887976 /nfs/dbraw/zinc/88/79/76/439887976.db2.gz HODGJEOMEIFLEN-HNNXBMFYSA-N 1 3 346.431 0.564 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626805751 439890670 /nfs/dbraw/zinc/89/06/70/439890670.db2.gz SSNNYAYNFLIOLA-CYBMUJFWSA-N 1 3 348.447 0.954 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626805751 439890675 /nfs/dbraw/zinc/89/06/75/439890675.db2.gz SSNNYAYNFLIOLA-CYBMUJFWSA-N 1 3 348.447 0.954 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626820762 439894929 /nfs/dbraw/zinc/89/49/29/439894929.db2.gz XPGCGPKOIWRZJM-UHFFFAOYSA-N 1 3 348.447 0.907 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CCC1 ZINC000626815627 439897379 /nfs/dbraw/zinc/89/73/79/439897379.db2.gz VPNRHZXHSXOMHW-UHFFFAOYSA-N 1 3 346.431 0.708 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)c3cccc4c3CC[NH2+]C4)C2)nn1 ZINC000662817003 439903590 /nfs/dbraw/zinc/90/35/90/439903590.db2.gz ZDWFHGRTWDTCOP-HNNXBMFYSA-N 1 3 340.431 0.860 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)[NH+](C)C ZINC000626842086 439908211 /nfs/dbraw/zinc/90/82/11/439908211.db2.gz KYRZZMMESZNXOE-LBPRGKRZSA-N 1 3 334.420 0.564 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N(C)Cc1ccccc1 ZINC000652671530 439909668 /nfs/dbraw/zinc/90/96/68/439909668.db2.gz GHUTXMCGHZRPQS-OAHLLOKOSA-N 1 3 346.475 0.868 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673334 439911925 /nfs/dbraw/zinc/91/19/25/439911925.db2.gz LWANWXARJACAIU-GJZGRUSLSA-N 1 3 338.496 0.729 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000626856353 439918344 /nfs/dbraw/zinc/91/83/44/439918344.db2.gz CJNCXGSUECNAGD-CQSZACIVSA-N 1 3 332.404 0.318 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CCSC1 ZINC000652685635 439918661 /nfs/dbraw/zinc/91/86/61/439918661.db2.gz PVEHLWHQLUWUMX-INIZCTEOSA-N 1 3 342.509 0.046 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642329795 439972800 /nfs/dbraw/zinc/97/28/00/439972800.db2.gz SWSRDJAASQFWCM-QXSJWSMHSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642330567 439974379 /nfs/dbraw/zinc/97/43/79/439974379.db2.gz WWOKYECDXZDMTM-QXSJWSMHSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)CN1CCCCC1 ZINC000631914590 439974949 /nfs/dbraw/zinc/97/49/49/439974949.db2.gz UEKZBNDXXHXAGL-CQSZACIVSA-N 1 3 332.514 0.627 20 0 ECADHO COCC1(CNC(=O)[C@@H]2CCCN2C2CCOCC2)CC[NH2+]CC1 ZINC000647038090 439976865 /nfs/dbraw/zinc/97/68/65/439976865.db2.gz RKVPWVHLRMFPHG-INIZCTEOSA-N 1 3 339.480 0.762 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCCN(C)C)c2)C[NH2+]1 ZINC000626886914 439937987 /nfs/dbraw/zinc/93/79/87/439937987.db2.gz PYFWZUYXIVGEPC-DZGCQCFKSA-N 1 3 348.447 0.822 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000642030958 439940800 /nfs/dbraw/zinc/94/08/00/439940800.db2.gz PRYRAQBTQHUQIY-TVFCKZIOSA-N 1 3 349.523 0.796 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652719478 439941543 /nfs/dbraw/zinc/94/15/43/439941543.db2.gz CCIDDBCMNVLZDH-INIZCTEOSA-N 1 3 332.448 0.623 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@@H]([NH3+])C(C)C)CC1=O ZINC000662925967 439945656 /nfs/dbraw/zinc/94/56/56/439945656.db2.gz HXQYIFTYHCEOGT-ARFHVFGLSA-N 1 3 338.496 0.809 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000652731768 439951468 /nfs/dbraw/zinc/95/14/68/439951468.db2.gz UKDDMVKEEUAGSW-HRCADAONSA-N 1 3 336.480 0.517 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652731893 439952417 /nfs/dbraw/zinc/95/24/17/439952417.db2.gz XWPJHIHZNRBEBB-OAHLLOKOSA-N 1 3 326.485 0.763 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000652737557 439958044 /nfs/dbraw/zinc/95/80/44/439958044.db2.gz NHKBMYVPXDUBEU-UHFFFAOYSA-N 1 3 336.480 0.533 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000642253851 439960373 /nfs/dbraw/zinc/96/03/73/439960373.db2.gz LHCUNHHXPDHLFS-WBVHZDCISA-N 1 3 346.475 0.868 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC1([NH3+])CCOCC1)N1CCN(C)CC1 ZINC000626930002 439963324 /nfs/dbraw/zinc/96/33/24/439963324.db2.gz UMVOCLPZXRWSIO-HNNXBMFYSA-N 1 3 341.500 0.066 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000642262653 439964944 /nfs/dbraw/zinc/96/49/44/439964944.db2.gz ZBWDHEDKRGOZDR-NVXWUHKLSA-N 1 3 346.475 0.881 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000631926724 439989919 /nfs/dbraw/zinc/98/99/19/439989919.db2.gz HBSRGUBXSXRXDP-UKRRQHHQSA-N 1 3 330.498 0.331 20 0 ECADHO C[C@@H](C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)[C@H](C)[NH3+] ZINC000663017809 439992423 /nfs/dbraw/zinc/99/24/23/439992423.db2.gz LXXCTWLEZWIGQA-HZSPNIEDSA-N 1 3 334.468 0.509 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000631947957 440005914 /nfs/dbraw/zinc/00/59/14/440005914.db2.gz RDSNABJNLFTADI-RRFJBIMHSA-N 1 3 333.498 0.486 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627130151 440016136 /nfs/dbraw/zinc/01/61/36/440016136.db2.gz KFBAZJCHKGHPCD-OAHLLOKOSA-N 1 3 337.512 0.986 20 0 ECADHO CN1C[C@@H](C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)[C@H](c2ccccc2)C1 ZINC000647248548 440028993 /nfs/dbraw/zinc/02/89/93/440028993.db2.gz IFGWLKHWMFXTAT-WBVHZDCISA-N 1 3 342.443 0.519 20 0 ECADHO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000642911530 440060143 /nfs/dbraw/zinc/06/01/43/440060143.db2.gz CTYLGCXOVKQTQS-KBPBESRZSA-N 1 3 331.420 0.116 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653116520 440072298 /nfs/dbraw/zinc/07/22/98/440072298.db2.gz KAUQCBKGQRXIDS-HOTGVXAUSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000642985483 440075576 /nfs/dbraw/zinc/07/55/76/440075576.db2.gz WXTPXUFQBUGIEM-LVQVYYBASA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC[NH2+]1 ZINC000642984317 440075672 /nfs/dbraw/zinc/07/56/72/440075672.db2.gz ICVBLOOPTLJDAX-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653151885 440080825 /nfs/dbraw/zinc/08/08/25/440080825.db2.gz WMCIKVKQWREAMR-XZKMEQPCSA-N 1 3 329.444 0.859 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N3CCOC4(C[NH2+]C4)C3)cc2)CC1 ZINC000663490333 440087392 /nfs/dbraw/zinc/08/73/92/440087392.db2.gz URPHNCXGZMIICM-UHFFFAOYSA-N 1 3 344.459 0.643 20 0 ECADHO C[C@H]1C[C@@H](N(C)S(=O)(=O)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000632026365 440046096 /nfs/dbraw/zinc/04/60/96/440046096.db2.gz DQARFSLDMMXJRJ-HOTGVXAUSA-N 1 3 346.541 0.368 20 0 ECADHO C[C@H]1C[C@@H](N(C)S(=O)(=O)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC000632026365 440046102 /nfs/dbraw/zinc/04/61/02/440046102.db2.gz DQARFSLDMMXJRJ-HOTGVXAUSA-N 1 3 346.541 0.368 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000642893324 440050452 /nfs/dbraw/zinc/05/04/52/440050452.db2.gz CLUYJOBYTFLSSP-IRXDYDNUSA-N 1 3 344.459 0.588 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000642898393 440051828 /nfs/dbraw/zinc/05/18/28/440051828.db2.gz VRQUOTFSUWYYIE-IAGOWNOFSA-N 1 3 344.459 0.573 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000636999316 440126543 /nfs/dbraw/zinc/12/65/43/440126543.db2.gz IGHHUDRSZZNGFH-CWRNSKLLSA-N 1 3 336.480 0.576 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000653434582 440173476 /nfs/dbraw/zinc/17/34/76/440173476.db2.gz GHSBCHZWLYAXSV-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643492886 440184416 /nfs/dbraw/zinc/18/44/16/440184416.db2.gz YANMUAQNHHYMNM-JYJNAYRXSA-N 1 3 334.464 0.284 20 0 ECADHO CC1([NH3+])CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CC1 ZINC000643504783 440189349 /nfs/dbraw/zinc/18/93/49/440189349.db2.gz PMZQKQYXBZPJQR-HNNXBMFYSA-N 1 3 336.480 0.803 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000643503555 440190519 /nfs/dbraw/zinc/19/05/19/440190519.db2.gz ZKXIIKPXNLVKBM-WBVHZDCISA-N 1 3 348.491 0.674 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000643503553 440190971 /nfs/dbraw/zinc/19/09/71/440190971.db2.gz ZKXIIKPXNLVKBM-NVXWUHKLSA-N 1 3 348.491 0.674 20 0 ECADHO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000632382418 440197962 /nfs/dbraw/zinc/19/79/62/440197962.db2.gz PZVZTNYTGYIJMG-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[N@H+](C)C1CC1 ZINC000663998188 440211053 /nfs/dbraw/zinc/21/10/53/440211053.db2.gz KJTAEEOYOWHANW-CYBMUJFWSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000663998188 440211062 /nfs/dbraw/zinc/21/10/62/440211062.db2.gz KJTAEEOYOWHANW-CYBMUJFWSA-N 1 3 327.473 0.131 20 0 ECADHO NC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000643591076 440215652 /nfs/dbraw/zinc/21/56/52/440215652.db2.gz DCOGSHWLSFJHPM-CWRNSKLLSA-N 1 3 334.464 0.411 20 0 ECADHO NC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000643591076 440215659 /nfs/dbraw/zinc/21/56/59/440215659.db2.gz DCOGSHWLSFJHPM-CWRNSKLLSA-N 1 3 334.464 0.411 20 0 ECADHO COCC[N@H+](C)C[C@@H](O)CN1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000653624091 440220517 /nfs/dbraw/zinc/22/05/17/440220517.db2.gz XFRNDFBERALDBN-RDTXWAMCSA-N 1 3 333.432 0.521 20 0 ECADHO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000653624091 440220522 /nfs/dbraw/zinc/22/05/22/440220522.db2.gz XFRNDFBERALDBN-RDTXWAMCSA-N 1 3 333.432 0.521 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643594603 440220974 /nfs/dbraw/zinc/22/09/74/440220974.db2.gz XAPLTSOWSMBXIO-PMPSAXMXSA-N 1 3 336.480 0.387 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627482583 440233015 /nfs/dbraw/zinc/23/30/15/440233015.db2.gz RTVUUSDNSZDSNE-LSDHHAIUSA-N 1 3 342.484 0.060 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C[NH2+]1 ZINC000627483508 440235229 /nfs/dbraw/zinc/23/52/29/440235229.db2.gz HEEGAOHSKSPDGO-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000643531767 440203694 /nfs/dbraw/zinc/20/36/94/440203694.db2.gz HEKWHCOSYWMAQI-DJIMGWMZSA-N 1 3 344.459 0.525 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643531949 440204076 /nfs/dbraw/zinc/20/40/76/440204076.db2.gz FEWFATMDDVPRGP-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000627440093 440207054 /nfs/dbraw/zinc/20/70/54/440207054.db2.gz BPWUARHWEOYEKG-LSDHHAIUSA-N 1 3 334.464 0.474 20 0 ECADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507117 440244133 /nfs/dbraw/zinc/24/41/33/440244133.db2.gz AYPGWKWQWHLFRJ-SJORKVTESA-N 1 3 344.459 0.240 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000659111254 440258009 /nfs/dbraw/zinc/25/80/09/440258009.db2.gz DUJSPTBXKWVPTA-ZDUSSCGKSA-N 1 3 336.436 0.598 20 0 ECADHO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)CCCN2CCCC2)CCO1 ZINC000632575790 440290536 /nfs/dbraw/zinc/29/05/36/440290536.db2.gz ASTHKINYVBJDCL-INIZCTEOSA-N 1 3 347.525 0.845 20 0 ECADHO NC1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC2(CCC2)C1 ZINC000659311053 440295012 /nfs/dbraw/zinc/29/50/12/440295012.db2.gz HCIQCKOJYQGUFH-LLVKDONJSA-N 1 3 334.386 0.600 20 0 ECADHO COc1cnccc1N1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000637684172 440320247 /nfs/dbraw/zinc/32/02/47/440320247.db2.gz PDBMRTFFVTZPFZ-CQSZACIVSA-N 1 3 333.436 0.921 20 0 ECADHO N[C@@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC[C@H]1F ZINC000659545120 440359513 /nfs/dbraw/zinc/35/95/13/440359513.db2.gz IKVYFMDQPWOIBX-NEXFUWMNSA-N 1 3 327.448 0.284 20 0 ECADHO COCCN(CCN(C)C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000648770872 440322772 /nfs/dbraw/zinc/32/27/72/440322772.db2.gz IFXCQQFCJPDMAB-MRXNPFEDSA-N 1 3 327.469 0.666 20 0 ECADHO COCCN(CCN(C)C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000648770872 440322778 /nfs/dbraw/zinc/32/27/78/440322778.db2.gz IFXCQQFCJPDMAB-MRXNPFEDSA-N 1 3 327.469 0.666 20 0 ECADHO CN1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H]1c1ccccc1 ZINC000664541716 440329095 /nfs/dbraw/zinc/32/90/95/440329095.db2.gz SBWJZVKIUWFGNU-QAETUUGQSA-N 1 3 332.448 0.748 20 0 ECADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654474872 440330060 /nfs/dbraw/zinc/33/00/60/440330060.db2.gz VTHODRMGEIJPQD-DLBZAZTESA-N 1 3 336.480 0.854 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000659680755 440415234 /nfs/dbraw/zinc/41/52/34/440415234.db2.gz KHNTXCMOGAEDNG-LVQVYYBASA-N 1 3 340.512 0.959 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659680792 440417091 /nfs/dbraw/zinc/41/70/91/440417091.db2.gz LFQVGGREINXRTQ-ZDUSSCGKSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000659689073 440423161 /nfs/dbraw/zinc/42/31/61/440423161.db2.gz RHANQRZXXXLQSM-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000659689073 440423166 /nfs/dbraw/zinc/42/31/66/440423166.db2.gz RHANQRZXXXLQSM-OAGGEKHMSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCC(=O)N1 ZINC000664778807 440374036 /nfs/dbraw/zinc/37/40/36/440374036.db2.gz LWEYZQWCYXTWRH-UONOGXRCSA-N 1 3 327.473 0.226 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCC(=O)N1 ZINC000664778807 440374041 /nfs/dbraw/zinc/37/40/41/440374041.db2.gz LWEYZQWCYXTWRH-UONOGXRCSA-N 1 3 327.473 0.226 20 0 ECADHO C[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[C@@H]1N1CCN(C)CC1 ZINC000659616116 440376560 /nfs/dbraw/zinc/37/65/60/440376560.db2.gz RGBAHNGQOIDUDW-VUGNNNGISA-N 1 3 335.496 0.406 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000649069614 440379703 /nfs/dbraw/zinc/37/97/03/440379703.db2.gz WFHWGXXOEVLFTE-CQSZACIVSA-N 1 3 336.480 0.829 20 0 ECADHO CN1CCC(n2cc(NC(=O)NC[C@H]3C[NH2+]CCCO3)cn2)CC1 ZINC000632961898 440397684 /nfs/dbraw/zinc/39/76/84/440397684.db2.gz VTGZBMDRWDQNCN-OAHLLOKOSA-N 1 3 336.440 0.650 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCNCC2(C)C)CC1=O ZINC000649273811 440428577 /nfs/dbraw/zinc/42/85/77/440428577.db2.gz LWCWWNUEUYLVJN-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCNCC2(C)C)CC1=O ZINC000649273811 440428582 /nfs/dbraw/zinc/42/85/82/440428582.db2.gz LWCWWNUEUYLVJN-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCOc1ccccc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649272197 440428602 /nfs/dbraw/zinc/42/86/02/440428602.db2.gz WUISBFNEMJCIJU-UHFFFAOYSA-N 1 3 334.464 0.604 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCO1 ZINC000649274384 440428614 /nfs/dbraw/zinc/42/86/14/440428614.db2.gz IHLRFXHZERZZLM-SJLPKXTDSA-N 1 3 346.475 0.773 20 0 ECADHO CN(CCN1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1)Cc1ccccc1 ZINC000649323309 440462931 /nfs/dbraw/zinc/46/29/31/440462931.db2.gz VPFSKKHKLQKPAI-BWTSREIZSA-N 1 3 342.487 0.728 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000659735044 440471893 /nfs/dbraw/zinc/47/18/93/440471893.db2.gz CKRUUYMHESWGAW-INMHGKMJSA-N 1 3 348.491 0.720 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3CCO[C@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638173465 440473439 /nfs/dbraw/zinc/47/34/39/440473439.db2.gz HJVBLUYXSRDERU-CYBMUJFWSA-N 1 3 347.419 0.103 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638083713 440431198 /nfs/dbraw/zinc/43/11/98/440431198.db2.gz BPXNURZTXCPQEB-MRXNPFEDSA-N 1 3 330.432 0.642 20 0 ECADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000633080487 440432334 /nfs/dbraw/zinc/43/23/34/440432334.db2.gz GDNRBWNGJSTFKG-CVEARBPZSA-N 1 3 336.480 0.803 20 0 ECADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000633084894 440435870 /nfs/dbraw/zinc/43/58/70/440435870.db2.gz MJCRUPIDTYYWPX-HZPDHXFCSA-N 1 3 336.480 0.803 20 0 ECADHO O=C(C(=O)N1CCCC[C@@H](N2CCCC2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633083846 440435961 /nfs/dbraw/zinc/43/59/61/440435961.db2.gz IIGTYXLGAIYBRX-OWCLPIDISA-N 1 3 334.464 0.426 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638108820 440445303 /nfs/dbraw/zinc/44/53/03/440445303.db2.gz PYEPZSNOOKHNEG-MRXNPFEDSA-N 1 3 330.432 0.642 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000665292301 440445687 /nfs/dbraw/zinc/44/56/87/440445687.db2.gz YMAUFNRHTGDNTI-HIFRSBDPSA-N 1 3 337.468 0.868 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000665292301 440445693 /nfs/dbraw/zinc/44/56/93/440445693.db2.gz YMAUFNRHTGDNTI-HIFRSBDPSA-N 1 3 337.468 0.868 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000649312555 440456636 /nfs/dbraw/zinc/45/66/36/440456636.db2.gz YYQJDGCVHWRYMB-IYBDPMFKSA-N 1 3 338.496 0.382 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000649312555 440456643 /nfs/dbraw/zinc/45/66/43/440456643.db2.gz YYQJDGCVHWRYMB-IYBDPMFKSA-N 1 3 338.496 0.382 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)c3csc(CC[NH3+])n3)CC2)C1 ZINC000649352959 440486052 /nfs/dbraw/zinc/48/60/52/440486052.db2.gz XEEUKKHTQAWLMO-ZDUSSCGKSA-N 1 3 337.493 0.496 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000659749565 440488190 /nfs/dbraw/zinc/48/81/90/440488190.db2.gz ILIBFSUGGODLET-HOCLYGCPSA-N 1 3 332.448 0.443 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638264904 440488222 /nfs/dbraw/zinc/48/82/22/440488222.db2.gz YXVJFYNVZCFQND-IRXDYDNUSA-N 1 3 341.496 0.819 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cn1 ZINC000638340746 440517916 /nfs/dbraw/zinc/51/79/16/440517916.db2.gz SMDRYOZSBUPFLT-IAGOWNOFSA-N 1 3 349.479 0.803 20 0 ECADHO COC[C@@]1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000638341664 440518746 /nfs/dbraw/zinc/51/87/46/440518746.db2.gz OYUFGOPTNCSRQO-GDBMZVCRSA-N 1 3 336.440 0.059 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2)CC1 ZINC000649350216 440480841 /nfs/dbraw/zinc/48/08/41/440480841.db2.gz QKYFDGHATVXJGK-UHFFFAOYSA-N 1 3 346.475 0.429 20 0 ECADHO [NH3+]C1(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCOCC1 ZINC000638540055 440564988 /nfs/dbraw/zinc/56/49/88/440564988.db2.gz XWLSUFRYOFTJCE-MRXNPFEDSA-N 1 3 332.448 0.918 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000634252668 440626968 /nfs/dbraw/zinc/62/69/68/440626968.db2.gz GDFIONSPTSUFJN-QAETUUGQSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000634252668 440626973 /nfs/dbraw/zinc/62/69/73/440626973.db2.gz GDFIONSPTSUFJN-QAETUUGQSA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CCN(CCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638853274 440633166 /nfs/dbraw/zinc/63/31/66/440633166.db2.gz CPJYZBFSRPBOHL-UHFFFAOYSA-N 1 3 340.493 0.451 20 0 ECADHO CCN1CCN(CCC[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638854974 440633540 /nfs/dbraw/zinc/63/35/40/440633540.db2.gz YMFQMDVSOYXFEI-UHFFFAOYSA-N 1 3 326.529 0.839 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1=O ZINC000638877131 440635974 /nfs/dbraw/zinc/63/59/74/440635974.db2.gz HIJHJVZZILTELS-IAGOWNOFSA-N 1 3 346.475 0.473 20 0 ECADHO CN1CCC(n2cc(NC(=O)C(C)(C)N3CC[NH2+]CC3)cn2)CC1 ZINC000638976844 440657073 /nfs/dbraw/zinc/65/70/73/440657073.db2.gz FATUJXVQCXSKBN-UHFFFAOYSA-N 1 3 334.468 0.772 20 0 ECADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000666770607 440687695 /nfs/dbraw/zinc/68/76/95/440687695.db2.gz MWMVZJHXAQHFSO-KRWDZBQOSA-N 1 3 342.443 0.871 20 0 ECADHO O=C(CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000634699035 440688472 /nfs/dbraw/zinc/68/84/72/440688472.db2.gz DMWXWTHZLZGQPO-IBGZPJMESA-N 1 3 347.459 0.462 20 0 ECADHO O=C(CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000634699035 440688478 /nfs/dbraw/zinc/68/84/78/440688478.db2.gz DMWXWTHZLZGQPO-IBGZPJMESA-N 1 3 347.459 0.462 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656023226 440695256 /nfs/dbraw/zinc/69/52/56/440695256.db2.gz YVWRVLWSDLEJGG-JONQDZQNSA-N 1 3 336.480 0.753 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656023228 440695735 /nfs/dbraw/zinc/69/57/35/440695735.db2.gz YVWRVLWSDLEJGG-YHUYYLMFSA-N 1 3 336.480 0.753 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000656028714 440701121 /nfs/dbraw/zinc/70/11/21/440701121.db2.gz PIBQYGPKQNVBBY-RKVPGOIHSA-N 1 3 334.464 0.332 20 0 ECADHO CO[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCOC1 ZINC000639262313 440699547 /nfs/dbraw/zinc/69/95/47/440699547.db2.gz XNYNPPRNJBMWRG-SJORKVTESA-N 1 3 341.496 0.424 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000656028713 440700185 /nfs/dbraw/zinc/70/01/85/440700185.db2.gz PIBQYGPKQNVBBY-IIDMSEBBSA-N 1 3 334.464 0.332 20 0 ECADHO CNS(=O)(=O)CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635004105 440730760 /nfs/dbraw/zinc/73/07/60/440730760.db2.gz CKUKFAWFPPRBHI-ZBFHGGJFSA-N 1 3 339.461 0.771 20 0 ECADHO O=C(NCC[NH2+]C[C@@H](O)CN1CCCC1)c1c(F)cccc1F ZINC000629565790 440730818 /nfs/dbraw/zinc/73/08/18/440730818.db2.gz XFQIJOXORHLXCM-GFCCVEGCSA-N 1 3 327.375 0.741 20 0 ECADHO NCC(=O)N1CCC[C@H](CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629655261 440747277 /nfs/dbraw/zinc/74/72/77/440747277.db2.gz UTWPOMFFMCFJDC-JHJVBQTASA-N 1 3 336.402 0.643 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000645442645 440808849 /nfs/dbraw/zinc/80/88/49/440808849.db2.gz SBQRADIWDUOZDK-FFHGMXDLSA-N 1 3 337.468 0.373 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000645442645 440808851 /nfs/dbraw/zinc/80/88/51/440808851.db2.gz SBQRADIWDUOZDK-FFHGMXDLSA-N 1 3 337.468 0.373 20 0 ECADHO CS(=O)(=O)N1CC[C@@H](CN2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639682893 440760525 /nfs/dbraw/zinc/76/05/25/440760525.db2.gz CSVSZRUHWSUJFG-HNNXBMFYSA-N 1 3 338.477 0.875 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000629797147 440765065 /nfs/dbraw/zinc/76/50/65/440765065.db2.gz WMISTFODTOKPBF-MRXNPFEDSA-N 1 3 338.496 0.908 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000645263180 440773785 /nfs/dbraw/zinc/77/37/85/440773785.db2.gz SIXCWMKATNKLBG-AWEZNQCLSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000645456083 440810937 /nfs/dbraw/zinc/81/09/37/440810937.db2.gz IOUHUQWQJRHIME-GJZGRUSLSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000645456083 440810941 /nfs/dbraw/zinc/81/09/41/440810941.db2.gz IOUHUQWQJRHIME-GJZGRUSLSA-N 1 3 339.484 0.480 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356836 440784684 /nfs/dbraw/zinc/78/46/84/440784684.db2.gz HGTJTLNRCSXWLO-HRCADAONSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356836 440784687 /nfs/dbraw/zinc/78/46/87/440784687.db2.gz HGTJTLNRCSXWLO-HRCADAONSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656355502 440787605 /nfs/dbraw/zinc/78/76/05/440787605.db2.gz KWQXULYKQAXMAV-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656358554 440788972 /nfs/dbraw/zinc/78/89/72/440788972.db2.gz LGCKDJXJBQWDSY-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)COCC[NH3+])cc2)CC1 ZINC000646041108 440979987 /nfs/dbraw/zinc/97/99/87/440979987.db2.gz UCWFKZBSMCLDLS-UHFFFAOYSA-N 1 3 349.435 0.816 20 0 ECADHO [NH3+]CCn1cc(C(=O)NCCCN2CCc3ccccc3C2)nn1 ZINC000662380620 441023749 /nfs/dbraw/zinc/02/37/49/441023749.db2.gz MJXDAEWQCQTOFY-UHFFFAOYSA-N 1 3 328.420 0.415 20 0 ECADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@H]2CNCCO2)CC1 ZINC000662251416 440994397 /nfs/dbraw/zinc/99/43/97/440994397.db2.gz BVNBZNAPVLXBAM-MRXNPFEDSA-N 1 3 340.512 0.391 20 0 ECADHO CC[C@@H]1CN(C)CCCN1C(=O)CC[N@H+](C)CCOCCOC ZINC000635884004 441021419 /nfs/dbraw/zinc/02/14/19/441021419.db2.gz BCPNLWZKABPVPE-MRXNPFEDSA-N 1 3 329.485 0.914 20 0 ECADHO CC[C@@H]1CN(C)CCCN1C(=O)CC[N@@H+](C)CCOCCOC ZINC000635884004 441021422 /nfs/dbraw/zinc/02/14/22/441021422.db2.gz BCPNLWZKABPVPE-MRXNPFEDSA-N 1 3 329.485 0.914 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H]1C[NH3+] ZINC000652163389 441022288 /nfs/dbraw/zinc/02/22/88/441022288.db2.gz MGTWUUVBVSYENU-NFAWXSAZSA-N 1 3 330.498 0.429 20 0 ECADHO O[C@H](CNCc1ccc(OCC[NH+]2CCCC2)cc1)Cn1ccnn1 ZINC000657153029 440975111 /nfs/dbraw/zinc/97/51/11/440975111.db2.gz LRVBHJWHGIOEBG-QGZVFWFLSA-N 1 3 345.447 0.903 20 0 ECADHO O=C(NCc1ccc2c(c1)CNC2)c1cnnn1C1CC[NH2+]CC1 ZINC000662556376 441070469 /nfs/dbraw/zinc/07/04/69/441070469.db2.gz QCBRRUWWLUIAFO-UHFFFAOYSA-N 1 3 326.404 0.736 20 0 ECADHO CN(C)S(=O)(=O)CCCN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362575 441059912 /nfs/dbraw/zinc/05/99/12/441059912.db2.gz KBQIUTMLJWOOLQ-KFWWJZLASA-N 1 3 333.498 0.629 20 0 ECADHO COCC[N@H+](C)C[C@H](O)Cn1cc(CNC2CCCCC2)nn1 ZINC000641224827 441080113 /nfs/dbraw/zinc/08/01/13/441080113.db2.gz WXQNESGAGBYIED-INIZCTEOSA-N 1 3 325.457 0.640 20 0 ECADHO COCC[N@@H+](C)C[C@H](O)Cn1cc(CNC2CCCCC2)nn1 ZINC000641224827 441080117 /nfs/dbraw/zinc/08/01/17/441080117.db2.gz WXQNESGAGBYIED-INIZCTEOSA-N 1 3 325.457 0.640 20 0 ECADHO C[C@@H](CNC(=O)CN(C)[C@H]1CCSC1)C[NH+]1CCN(C)CC1 ZINC000339979896 321007758 /nfs/dbraw/zinc/00/77/58/321007758.db2.gz HUZVXVXMEVOXOE-GJZGRUSLSA-N 1 3 328.526 0.423 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340208625 321022028 /nfs/dbraw/zinc/02/20/28/321022028.db2.gz DDRDRKNGYAVIHC-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340208625 321022030 /nfs/dbraw/zinc/02/20/30/321022030.db2.gz DDRDRKNGYAVIHC-CVEARBPZSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000340211796 321022664 /nfs/dbraw/zinc/02/26/64/321022664.db2.gz DQWXOXWBHKNLSB-MRXNPFEDSA-N 1 3 338.496 0.827 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000340219933 321024740 /nfs/dbraw/zinc/02/47/40/321024740.db2.gz MCTIZMGWLFSQHL-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000340219933 321024741 /nfs/dbraw/zinc/02/47/41/321024741.db2.gz MCTIZMGWLFSQHL-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000340264977 321032777 /nfs/dbraw/zinc/03/27/77/321032777.db2.gz UXSHIBJZGBOHSE-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340348362 321036900 /nfs/dbraw/zinc/03/69/00/321036900.db2.gz SSLAYKILPNKHAO-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000340585670 321045772 /nfs/dbraw/zinc/04/57/72/321045772.db2.gz QHNQOYWRBGEBFX-GJZGRUSLSA-N 1 3 342.484 0.060 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000342032905 321072910 /nfs/dbraw/zinc/07/29/10/321072910.db2.gz IHTRCMSATMBMSL-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000342032905 321072912 /nfs/dbraw/zinc/07/29/12/321072912.db2.gz IHTRCMSATMBMSL-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342053003 321074082 /nfs/dbraw/zinc/07/40/82/321074082.db2.gz HDUZXQHCLITLJG-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342053003 321074084 /nfs/dbraw/zinc/07/40/84/321074084.db2.gz HDUZXQHCLITLJG-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000343141360 321124515 /nfs/dbraw/zinc/12/45/15/321124515.db2.gz HCLAPXJJBMVEGJ-RBSFLKMASA-N 1 3 326.485 0.679 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000343312277 321132700 /nfs/dbraw/zinc/13/27/00/321132700.db2.gz OSFNEFAJHCFQNA-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CC=C(CNC(=O)CCCC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000343334290 321134204 /nfs/dbraw/zinc/13/42/04/321134204.db2.gz IWOMIUOAAKCPKC-UHFFFAOYSA-N 1 3 348.491 0.913 20 0 ECADHO CN1CC=C(CNC(=O)CCCC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000343334290 321134205 /nfs/dbraw/zinc/13/42/05/321134205.db2.gz IWOMIUOAAKCPKC-UHFFFAOYSA-N 1 3 348.491 0.913 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H](N)CC(F)F)CC1 ZINC000345728446 321197947 /nfs/dbraw/zinc/19/79/47/321197947.db2.gz VPILFWPTAFMEDE-MJBXVCDLSA-N 1 3 332.439 0.986 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H](N)CC(F)F)CC1 ZINC000345728446 321197949 /nfs/dbraw/zinc/19/79/49/321197949.db2.gz VPILFWPTAFMEDE-MJBXVCDLSA-N 1 3 332.439 0.986 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@@H](C)C1 ZINC000346415425 321219177 /nfs/dbraw/zinc/21/91/77/321219177.db2.gz QSFKBEQGSUAEQA-JYJNAYRXSA-N 1 3 338.496 0.585 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@@H](C)C1 ZINC000346415425 321219179 /nfs/dbraw/zinc/21/91/79/321219179.db2.gz QSFKBEQGSUAEQA-JYJNAYRXSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347957436 321259115 /nfs/dbraw/zinc/25/91/15/321259115.db2.gz AUITXVYFYJBYGD-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347957436 321259116 /nfs/dbraw/zinc/25/91/16/321259116.db2.gz AUITXVYFYJBYGD-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353508491 321396465 /nfs/dbraw/zinc/39/64/65/321396465.db2.gz GCGBFRRQFFEPRB-PMPSAXMXSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)CN1CCN(C)CC1 ZINC000532317658 322053360 /nfs/dbraw/zinc/05/33/60/322053360.db2.gz ZRDVABOBYQMJPI-VYDXJSESSA-N 1 3 337.512 0.652 20 0 ECADHO C[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)CN1CCN(C)CC1 ZINC000532317658 322053361 /nfs/dbraw/zinc/05/33/61/322053361.db2.gz ZRDVABOBYQMJPI-VYDXJSESSA-N 1 3 337.512 0.652 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1F ZINC000555654951 322186283 /nfs/dbraw/zinc/18/62/83/322186283.db2.gz UHWJQGKRPJPYTG-UHFFFAOYSA-N 1 3 338.427 0.394 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000557159159 322204773 /nfs/dbraw/zinc/20/47/73/322204773.db2.gz OFVXBVGJPCVONJ-CQSZACIVSA-N 1 3 341.500 0.160 20 0 ECADHO C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000560637429 322248247 /nfs/dbraw/zinc/24/82/47/322248247.db2.gz PXCIFRVLYLEQJZ-GASCZTMLSA-N 1 3 326.485 0.443 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000560664502 322248660 /nfs/dbraw/zinc/24/86/60/322248660.db2.gz RBBGRHHIJGIQDM-IKGGRYGDSA-N 1 3 348.491 0.768 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000561256814 322257875 /nfs/dbraw/zinc/25/78/75/322257875.db2.gz PFXNNEKGKNCSHY-GASCZTMLSA-N 1 3 326.485 0.870 20 0 ECADHO CN(CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000562803173 322285047 /nfs/dbraw/zinc/28/50/47/322285047.db2.gz LKTCWVVYQSYVEU-SFHVURJKSA-N 1 3 345.491 0.808 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563089198 322297048 /nfs/dbraw/zinc/29/70/48/322297048.db2.gz XRTYXNBTZXKVDX-AFIMGQEJSA-N 1 3 336.480 0.025 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000563118367 322299347 /nfs/dbraw/zinc/29/93/47/322299347.db2.gz IOEQHHRORFLJHV-UHFFFAOYSA-N 1 3 329.470 0.092 20 0 ECADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCCN2)c1 ZINC000563143064 322300943 /nfs/dbraw/zinc/30/09/43/322300943.db2.gz TZBMTCVBJWYKJL-ZDUSSCGKSA-N 1 3 326.422 0.004 20 0 ECADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000564552549 322379530 /nfs/dbraw/zinc/37/95/30/322379530.db2.gz BHXHBPPBUILQDY-BZZMCLGOSA-N 1 3 346.475 0.839 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566668417 322548055 /nfs/dbraw/zinc/54/80/55/322548055.db2.gz BYOAJAQGATWEAF-JKSUJKDBSA-N 1 3 325.501 0.509 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000567490860 322585333 /nfs/dbraw/zinc/58/53/33/322585333.db2.gz MXZOIRANUWQGCF-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO N[C@@H]1Cc2ccccc2N(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000567925398 322606592 /nfs/dbraw/zinc/60/65/92/322606592.db2.gz KUDNIRUHROQTFT-KGLIPLIRSA-N 1 3 326.404 0.560 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000573267697 322759231 /nfs/dbraw/zinc/75/92/31/322759231.db2.gz PULDIXZALRNESL-SJORKVTESA-N 1 3 337.512 0.796 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000574906281 322787170 /nfs/dbraw/zinc/78/71/70/322787170.db2.gz LDFXQWNDVJLDBE-SFHVURJKSA-N 1 3 345.491 0.937 20 0 ECADHO C[C@@H]1CC2(CN1C(=O)C(=O)NCC1(N(C)C)CCC1)CC[NH2+]CC2 ZINC000574982795 322788547 /nfs/dbraw/zinc/78/85/47/322788547.db2.gz LQGUPUNKSRXWIO-CQSZACIVSA-N 1 3 336.480 0.578 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C[C@@H]21 ZINC000577739806 322844695 /nfs/dbraw/zinc/84/46/95/322844695.db2.gz QJEXJTHXNYZMBG-LTIDMASMSA-N 1 3 348.491 0.659 20 0 ECADHO CN1CCN(C[C@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000579700827 322904110 /nfs/dbraw/zinc/90/41/10/322904110.db2.gz NALLODBMWCHVRW-HXUWFJFHSA-N 1 3 346.519 0.980 20 0 ECADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1cccc(OC)c1 ZINC000163966334 528277440 /nfs/dbraw/zinc/27/74/40/528277440.db2.gz QZJARUBBJIJMKN-BHYGNILZSA-N 1 3 335.448 0.917 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)CN1Cc1ccccc1 ZINC000398171117 546195537 /nfs/dbraw/zinc/19/55/37/546195537.db2.gz UUCDJKWNKPDUJR-DZGCQCFKSA-N 1 3 328.420 0.630 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417436254 546210445 /nfs/dbraw/zinc/21/04/45/546210445.db2.gz ZPQYZTOGRXRWJM-KFWWJZLASA-N 1 3 339.484 0.498 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621643397 546533879 /nfs/dbraw/zinc/53/38/79/546533879.db2.gz FQSDXVQFQKAJAI-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2nc(N)nc(N)n2)C1 ZINC000623861963 546851597 /nfs/dbraw/zinc/85/15/97/546851597.db2.gz HPJCOJVTBLKVDK-GFCCVEGCSA-N 1 3 327.436 0.963 20 0 ECADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2nc(N)nc(N)n2)C1 ZINC000623861963 546851601 /nfs/dbraw/zinc/85/16/01/546851601.db2.gz HPJCOJVTBLKVDK-GFCCVEGCSA-N 1 3 327.436 0.963 20 0 ECADHO Nc1nc(N)nc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000624097960 546878335 /nfs/dbraw/zinc/87/83/35/546878335.db2.gz KRYMDSOVTLAEHZ-QLFBSQMISA-N 1 3 339.447 0.831 20 0 ECADHO Nc1nc(N)nc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000624097960 546878339 /nfs/dbraw/zinc/87/83/39/546878339.db2.gz KRYMDSOVTLAEHZ-QLFBSQMISA-N 1 3 339.447 0.831 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC000625028858 547008487 /nfs/dbraw/zinc/00/84/87/547008487.db2.gz ZKHARVVVVRROBJ-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC000625028858 547008490 /nfs/dbraw/zinc/00/84/90/547008490.db2.gz ZKHARVVVVRROBJ-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000659631232 547447784 /nfs/dbraw/zinc/44/77/84/547447784.db2.gz CJZLRMKRUJZAFC-CQSZACIVSA-N 1 3 348.451 0.801 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000667332994 547502499 /nfs/dbraw/zinc/50/24/99/547502499.db2.gz ZQELRUUTMSAZGK-ZDUSSCGKSA-N 1 3 336.436 0.761 20 0 ECADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000667335854 547503685 /nfs/dbraw/zinc/50/36/85/547503685.db2.gz ONHAVWBBYGLSCD-DLBZAZTESA-N 1 3 336.480 0.569 20 0 ECADHO CN(C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C1CNC1 ZINC000667610240 547536410 /nfs/dbraw/zinc/53/64/10/547536410.db2.gz GKFHTSKQERGHPR-UHFFFAOYSA-N 1 3 334.420 0.386 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC(=O)N1C ZINC000667811391 547559389 /nfs/dbraw/zinc/55/93/89/547559389.db2.gz LFDWERSPYSOGGA-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC(=O)N1C ZINC000667811391 547559393 /nfs/dbraw/zinc/55/93/93/547559393.db2.gz LFDWERSPYSOGGA-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCNC[C@](C)(F)C3)C2)CC1 ZINC000669484161 547895616 /nfs/dbraw/zinc/89/56/16/547895616.db2.gz FTCNHRSLVYOTHY-YOEHRIQHSA-N 1 3 341.475 0.498 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCNC[C@](C)(F)C3)C2)CC1 ZINC000669484161 547895620 /nfs/dbraw/zinc/89/56/20/547895620.db2.gz FTCNHRSLVYOTHY-YOEHRIQHSA-N 1 3 341.475 0.498 20 0 ECADHO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCNC[C@](C)(F)C3)C2)CC1 ZINC000669484161 547895623 /nfs/dbraw/zinc/89/56/23/547895623.db2.gz FTCNHRSLVYOTHY-YOEHRIQHSA-N 1 3 341.475 0.498 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000670983915 548074922 /nfs/dbraw/zinc/07/49/22/548074922.db2.gz SGOUHXRLBVCQNX-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000670997877 548078175 /nfs/dbraw/zinc/07/81/75/548078175.db2.gz JMKLQGMYXVXFQJ-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000671123148 548096270 /nfs/dbraw/zinc/09/62/70/548096270.db2.gz XXJSEFUYYJCNHP-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000671123148 548096275 /nfs/dbraw/zinc/09/62/75/548096275.db2.gz XXJSEFUYYJCNHP-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671181482 548106954 /nfs/dbraw/zinc/10/69/54/548106954.db2.gz KEXDVVOIQNOQIS-VQHPVUNQSA-N 1 3 348.491 0.815 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671181482 548106957 /nfs/dbraw/zinc/10/69/57/548106957.db2.gz KEXDVVOIQNOQIS-VQHPVUNQSA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000672012911 548255876 /nfs/dbraw/zinc/25/58/76/548255876.db2.gz DHPQDSITNBCVDU-IIAWOOMASA-N 1 3 338.496 0.678 20 0 ECADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672305637 548301578 /nfs/dbraw/zinc/30/15/78/548301578.db2.gz WZNXCEYOSUDBTR-INIZCTEOSA-N 1 3 348.491 0.674 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672311944 548309035 /nfs/dbraw/zinc/30/90/35/548309035.db2.gz WGVAPMFFBZGTLL-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672311944 548309040 /nfs/dbraw/zinc/30/90/40/548309040.db2.gz WGVAPMFFBZGTLL-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672312444 548309568 /nfs/dbraw/zinc/30/95/68/548309568.db2.gz NWSOJIVTMYNNFW-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000672699953 548375750 /nfs/dbraw/zinc/37/57/50/548375750.db2.gz RHNOJZDWBNTQAI-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000672698827 548375973 /nfs/dbraw/zinc/37/59/73/548375973.db2.gz IHGCBAYCTJQDJR-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000672698827 548375979 /nfs/dbraw/zinc/37/59/79/548375979.db2.gz IHGCBAYCTJQDJR-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000677896060 548967923 /nfs/dbraw/zinc/96/79/23/548967923.db2.gz INEPTAUPDKIWJT-BRWVUGGUSA-N 1 3 337.512 0.748 20 0 ECADHO C[NH+](C)CCN1C(=O)C[C@H](N2CCC[C@@H](C[C@H]3CCOC3)C2)C1=O ZINC000678611492 549038842 /nfs/dbraw/zinc/03/88/42/549038842.db2.gz QHGYBOPFUWUVKW-XHSDSOJGSA-N 1 3 337.464 0.814 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681161220 549227982 /nfs/dbraw/zinc/22/79/82/549227982.db2.gz QMFOIHSRDDCXJT-NVXWUHKLSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000681161220 549227984 /nfs/dbraw/zinc/22/79/84/549227984.db2.gz QMFOIHSRDDCXJT-NVXWUHKLSA-N 1 3 337.512 0.796 20 0 ECADHO CN(C(=O)N[C@H]1CCCN(C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681211574 549236530 /nfs/dbraw/zinc/23/65/30/549236530.db2.gz UZXIVCZFNLSNQL-RDJZCZTQSA-N 1 3 337.512 0.891 20 0 ECADHO CN(C(=O)N[C@H]1CCCN(C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681211574 549236532 /nfs/dbraw/zinc/23/65/32/549236532.db2.gz UZXIVCZFNLSNQL-RDJZCZTQSA-N 1 3 337.512 0.891 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C[NH+](CC)CC ZINC000683368140 549481647 /nfs/dbraw/zinc/48/16/47/549481647.db2.gz KUNKDUUYOCGVOL-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC000683369337 549482531 /nfs/dbraw/zinc/48/25/31/549482531.db2.gz PBFFHTSGWHGGBZ-HUUCEWRRSA-N 1 3 326.485 0.820 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000683369337 549482532 /nfs/dbraw/zinc/48/25/32/549482532.db2.gz PBFFHTSGWHGGBZ-HUUCEWRRSA-N 1 3 326.485 0.820 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=S)NCC(=O)N(C)C ZINC000751012147 579361853 /nfs/dbraw/zinc/36/18/53/579361853.db2.gz SNLHZINNCOLNRL-CQSZACIVSA-N 1 3 343.541 0.297 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=S)NCC(=O)N(C)C ZINC000751012147 579361855 /nfs/dbraw/zinc/36/18/55/579361855.db2.gz SNLHZINNCOLNRL-CQSZACIVSA-N 1 3 343.541 0.297 20 0 ECADHO CN1CCC(NC(=S)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000732624595 578328212 /nfs/dbraw/zinc/32/82/12/578328212.db2.gz RMAJSWSVSMNZGG-UHFFFAOYSA-N 1 3 328.526 0.998 20 0 ECADHO C[NH+]1CCC(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736848936 578456840 /nfs/dbraw/zinc/45/68/40/578456840.db2.gz PFDUKLJKCVATQW-ZDUSSCGKSA-N 1 3 345.455 0.426 20 0 ECADHO C[NH+]1CCC(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736848936 578456841 /nfs/dbraw/zinc/45/68/41/578456841.db2.gz PFDUKLJKCVATQW-ZDUSSCGKSA-N 1 3 345.455 0.426 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)N1CCCCC1)C[NH+]1CCCC1 ZINC000790187899 578869294 /nfs/dbraw/zinc/86/92/94/578869294.db2.gz LFEACNSCAQEIDG-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1)C(C)C ZINC000793706405 578936566 /nfs/dbraw/zinc/93/65/66/578936566.db2.gz CGPLZSAESXVORD-HNNXBMFYSA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1)C(C)C ZINC000793706405 578936567 /nfs/dbraw/zinc/93/65/67/578936567.db2.gz CGPLZSAESXVORD-HNNXBMFYSA-N 1 3 326.485 0.824 20 0 ECADHO CN(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)C1CCN(C)CC1 ZINC000765236685 579062904 /nfs/dbraw/zinc/06/29/04/579062904.db2.gz QGIGDMKTDQEJCM-UHFFFAOYSA-N 1 3 338.496 0.587 20 0 ECADHO CN1CCN(CCCNC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760467731 579510956 /nfs/dbraw/zinc/51/09/56/579510956.db2.gz JOXVPIMGMRGDNE-UHFFFAOYSA-N 1 3 327.542 0.430 20 0 ECADHO C[C@H](NC[C@]1(O)CC[N@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000762786840 579548306 /nfs/dbraw/zinc/54/83/06/579548306.db2.gz LGWVXYYYTJDGSR-QXAKKESOSA-N 1 3 333.476 0.932 20 0 ECADHO C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000762786840 579548307 /nfs/dbraw/zinc/54/83/07/579548307.db2.gz LGWVXYYYTJDGSR-QXAKKESOSA-N 1 3 333.476 0.932 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C[C@H]1c1ccccc1 ZINC000841790264 589001232 /nfs/dbraw/zinc/00/12/32/589001232.db2.gz BJOYHLNWLKMUPJ-VSZNYVQBSA-N 1 3 344.459 0.986 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000841934309 589006314 /nfs/dbraw/zinc/00/63/14/589006314.db2.gz XHIIRZKKLFNODL-QGZVFWFLSA-N 1 3 334.464 0.834 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)N1CCCCC1 ZINC000842015610 589008057 /nfs/dbraw/zinc/00/80/57/589008057.db2.gz LZIIADYJBGUNPO-HNNXBMFYSA-N 1 3 346.475 0.795 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@@H](C)N1CCCCC1)C1CC[NH2+]CC1 ZINC000842016276 589008532 /nfs/dbraw/zinc/00/85/32/589008532.db2.gz TUJOGUVZKRYQGF-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842088833 589011058 /nfs/dbraw/zinc/01/10/58/589011058.db2.gz VAVFFANLCNBSSB-CQSZACIVSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000842250551 589024377 /nfs/dbraw/zinc/02/43/77/589024377.db2.gz VYRXVNPDXZDEGP-OAHLLOKOSA-N 1 3 334.464 0.330 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804732489 586063213 /nfs/dbraw/zinc/06/32/13/586063213.db2.gz PXQSIZGPHVFMCP-HRCADAONSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000891463623 586170005 /nfs/dbraw/zinc/17/00/05/586170005.db2.gz FWUANEWRVWSILL-JKSUJKDBSA-N 1 3 346.479 0.725 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000891483851 586170766 /nfs/dbraw/zinc/17/07/66/586170766.db2.gz SDORQZTXPDTJFO-MCIONIFRSA-N 1 3 325.457 0.060 20 0 ECADHO COCCC1(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[NH2+]CC1 ZINC000891514453 586173314 /nfs/dbraw/zinc/17/33/14/586173314.db2.gz RUVBTBOKEIGQSX-LSDHHAIUSA-N 1 3 340.468 0.308 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891538185 586174733 /nfs/dbraw/zinc/17/47/33/586174733.db2.gz SHMNZVXVPYYWGD-CHWSQXEVSA-N 1 3 334.411 0.641 20 0 ECADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000896162701 586224194 /nfs/dbraw/zinc/22/41/94/586224194.db2.gz GRSSFCLWLNHPLX-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892584688 586275261 /nfs/dbraw/zinc/27/52/61/586275261.db2.gz AGDLXPVGNWOXLB-QDMKHBRRSA-N 1 3 339.484 0.178 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)CN1CCN(C)CC1 ZINC000893239080 586318653 /nfs/dbraw/zinc/31/86/53/586318653.db2.gz XVGXQAFUTXCXEA-INIZCTEOSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)CN1CCN(C)CC1 ZINC000893239080 586318656 /nfs/dbraw/zinc/31/86/56/586318656.db2.gz XVGXQAFUTXCXEA-INIZCTEOSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H]1CCCN1CCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000897483069 586331793 /nfs/dbraw/zinc/33/17/93/586331793.db2.gz IMMYLOWGRZOGGG-OAHLLOKOSA-N 1 3 326.485 0.959 20 0 ECADHO C[C@@H]1CCCN1CCNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000897483069 586331796 /nfs/dbraw/zinc/33/17/96/586331796.db2.gz IMMYLOWGRZOGGG-OAHLLOKOSA-N 1 3 326.485 0.959 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897582528 586346830 /nfs/dbraw/zinc/34/68/30/586346830.db2.gz AWNDQAYAGCZUIE-ZIFCJYIRSA-N 1 3 346.475 0.698 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897582528 586346833 /nfs/dbraw/zinc/34/68/33/586346833.db2.gz AWNDQAYAGCZUIE-ZIFCJYIRSA-N 1 3 346.475 0.698 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898585962 586435050 /nfs/dbraw/zinc/43/50/50/586435050.db2.gz GREGFGZLAKRKDE-AWEZNQCLSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898585962 586435051 /nfs/dbraw/zinc/43/50/51/586435051.db2.gz GREGFGZLAKRKDE-AWEZNQCLSA-N 1 3 339.484 0.480 20 0 ECADHO CN(C)CCn1nccc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000900684545 586655686 /nfs/dbraw/zinc/65/56/86/586655686.db2.gz BPCUOCWFVBEBBL-MRXNPFEDSA-N 1 3 349.479 0.818 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900926248 586676745 /nfs/dbraw/zinc/67/67/45/586676745.db2.gz PZRRIRNTZYSFCS-SJLPKXTDSA-N 1 3 341.496 0.793 20 0 ECADHO CC(C)OCCOC[C@H](O)CN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726067 586802286 /nfs/dbraw/zinc/80/22/86/586802286.db2.gz JZZSSTBTXJGKMR-IXDOHACOSA-N 1 3 330.469 0.489 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C[C@H]1CC[NH3+] ZINC000903726656 586802490 /nfs/dbraw/zinc/80/24/90/586802490.db2.gz OPDFPUNEFJHQFA-OAGGEKHMSA-N 1 3 336.480 0.517 20 0 ECADHO CCOC(=O)[C@@H]1C[C@H]1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000903744850 586807892 /nfs/dbraw/zinc/80/78/92/586807892.db2.gz XXLAZMCNQZIRTA-QXSJWSMHSA-N 1 3 337.464 0.766 20 0 ECADHO CN(C)S(=O)(=O)CCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792471 586812994 /nfs/dbraw/zinc/81/29/94/586812994.db2.gz BQCAPTIXZRPKGP-UHFFFAOYSA-N 1 3 325.478 0.870 20 0 ECADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@H](N)C(C)(C)C1 ZINC000903775160 586813722 /nfs/dbraw/zinc/81/37/22/586813722.db2.gz ATCSNLOBYJLJBQ-HNNXBMFYSA-N 1 3 338.496 0.907 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000903783486 586815106 /nfs/dbraw/zinc/81/51/06/586815106.db2.gz UUEHTOUSLIDYNN-YJBOKZPZSA-N 1 3 336.480 0.531 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCNC[C@@H]2c2cccnc2)cnn1C ZINC000903906065 586824965 /nfs/dbraw/zinc/82/49/65/586824965.db2.gz RIPFKQNEEHUQOM-MAUKXSAKSA-N 1 3 328.464 0.887 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H](CN3CCOCC3)C2)cnn1C ZINC000903918098 586827402 /nfs/dbraw/zinc/82/74/02/586827402.db2.gz RUECBDZDHDTZNX-ROUUACIJSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cnn1C ZINC000903918098 586827404 /nfs/dbraw/zinc/82/74/04/586827404.db2.gz RUECBDZDHDTZNX-ROUUACIJSA-N 1 3 349.523 0.890 20 0 ECADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cnn1C ZINC000903918098 586827406 /nfs/dbraw/zinc/82/74/06/586827406.db2.gz RUECBDZDHDTZNX-ROUUACIJSA-N 1 3 349.523 0.890 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)C[C@]2(C)C1 ZINC000904511476 586839314 /nfs/dbraw/zinc/83/93/14/586839314.db2.gz TWOXHBVQFODDNJ-DYVFJYSZSA-N 1 3 345.451 0.302 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)C[C@]2(C)C1 ZINC000904511476 586839316 /nfs/dbraw/zinc/83/93/16/586839316.db2.gz TWOXHBVQFODDNJ-DYVFJYSZSA-N 1 3 345.451 0.302 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000839228127 586841203 /nfs/dbraw/zinc/84/12/03/586841203.db2.gz HSINIUOCSVEKNR-UHFFFAOYSA-N 1 3 334.464 0.727 20 0 ECADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)C2 ZINC000904999542 586857120 /nfs/dbraw/zinc/85/71/20/586857120.db2.gz PVQLEQZFRGRGMK-VGWMRTNUSA-N 1 3 334.464 0.411 20 0 ECADHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@H](O)C2(O)CCC2)c1 ZINC000905090097 586867871 /nfs/dbraw/zinc/86/78/71/586867871.db2.gz UQKIXKJOMSGXDU-INIZCTEOSA-N 1 3 335.448 0.344 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905077128 586869920 /nfs/dbraw/zinc/86/99/20/586869920.db2.gz VGXSICAJVPGUEP-WMZOPIPTSA-N 1 3 338.448 0.619 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccccc2C[NH3+])CCSC1 ZINC000906654140 586962276 /nfs/dbraw/zinc/96/22/76/586962276.db2.gz FZMKJMOKAMOXPN-MRXNPFEDSA-N 1 3 336.461 0.637 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906653611 586962286 /nfs/dbraw/zinc/96/22/86/586962286.db2.gz DRWGVPUEEJIVOV-UHFFFAOYSA-N 1 3 347.463 0.226 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000906738260 586972994 /nfs/dbraw/zinc/97/29/94/586972994.db2.gz FIQXDAKMBWBGJQ-MQMHXKEQSA-N 1 3 334.420 0.419 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000818638018 587442105 /nfs/dbraw/zinc/44/21/05/587442105.db2.gz OJUCADFQXYOJMW-CVEARBPZSA-N 1 3 346.431 0.372 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000827327769 588113074 /nfs/dbraw/zinc/11/30/74/588113074.db2.gz QCJLERVIOUIQFA-HNNXBMFYSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccccn2)n[nH]1 ZINC000849116511 589320773 /nfs/dbraw/zinc/32/07/73/589320773.db2.gz LUCMPBLIZBUIQE-LBPRGKRZSA-N 1 3 328.424 0.965 20 0 ECADHO CC(C)NC(=O)CNC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000849276244 589324470 /nfs/dbraw/zinc/32/44/70/589324470.db2.gz DXZUONHJKJDRAR-ZDUSSCGKSA-N 1 3 331.530 0.247 20 0 ECADHO CC(C)NC(=O)CNC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000849276244 589324471 /nfs/dbraw/zinc/32/44/71/589324471.db2.gz DXZUONHJKJDRAR-ZDUSSCGKSA-N 1 3 331.530 0.247 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000851688872 589414856 /nfs/dbraw/zinc/41/48/56/589414856.db2.gz FBILSPWBRRZCPI-BEFAXECRSA-N 1 3 348.491 0.864 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000852744302 589509813 /nfs/dbraw/zinc/50/98/13/589509813.db2.gz YDQQJQKCPAEKRF-UONOGXRCSA-N 1 3 340.468 0.735 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852863873 589519543 /nfs/dbraw/zinc/51/95/43/589519543.db2.gz SOSZQRUXOPYBDQ-ZNMIVQPWSA-N 1 3 337.468 0.107 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852863873 589519544 /nfs/dbraw/zinc/51/95/44/589519544.db2.gz SOSZQRUXOPYBDQ-ZNMIVQPWSA-N 1 3 337.468 0.107 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000853682347 589555122 /nfs/dbraw/zinc/55/51/22/589555122.db2.gz CAZNORWOEXHCMW-HZPDHXFCSA-N 1 3 341.500 0.032 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000858763960 589772651 /nfs/dbraw/zinc/77/26/51/589772651.db2.gz FAFVJJIUTZIDKW-GJZGRUSLSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000858763960 589772653 /nfs/dbraw/zinc/77/26/53/589772653.db2.gz FAFVJJIUTZIDKW-GJZGRUSLSA-N 1 3 339.484 0.480 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000867601300 589813726 /nfs/dbraw/zinc/81/37/26/589813726.db2.gz UOHIDDAHYAYKAJ-OWCLPIDISA-N 1 3 336.480 0.480 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000867601300 589813730 /nfs/dbraw/zinc/81/37/30/589813730.db2.gz UOHIDDAHYAYKAJ-OWCLPIDISA-N 1 3 336.480 0.480 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867741452 589833684 /nfs/dbraw/zinc/83/36/84/589833684.db2.gz DXVXUBBXSKFCKY-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000861568232 589865080 /nfs/dbraw/zinc/86/50/80/589865080.db2.gz RADDTAQXZABSKG-HNNXBMFYSA-N 1 3 334.468 0.582 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000861740640 589884720 /nfs/dbraw/zinc/88/47/20/589884720.db2.gz UFOAJXFCYHBPOH-UHFFFAOYSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000861765129 589889719 /nfs/dbraw/zinc/88/97/19/589889719.db2.gz LTDSTAFFFFYVIQ-YQQAZPJKSA-N 1 3 346.475 0.961 20 0 ECADHO CN1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCC1(C)C ZINC000868407289 589902763 /nfs/dbraw/zinc/90/27/63/589902763.db2.gz UUIIVXNUBSWHKG-HDICACEKSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(F)C(=O)N(C)C[C@H]1CCCN1C ZINC000868928588 589936061 /nfs/dbraw/zinc/93/60/61/589936061.db2.gz ZVZWPWZBTLFCMJ-ZIAGYGMSSA-N 1 3 342.459 0.430 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(F)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000868928588 589936064 /nfs/dbraw/zinc/93/60/64/589936064.db2.gz ZVZWPWZBTLFCMJ-ZIAGYGMSSA-N 1 3 342.459 0.430 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(F)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000868928588 589936067 /nfs/dbraw/zinc/93/60/67/589936067.db2.gz ZVZWPWZBTLFCMJ-ZIAGYGMSSA-N 1 3 342.459 0.430 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/CN1CCOCC1 ZINC000869236805 589954915 /nfs/dbraw/zinc/95/49/15/589954915.db2.gz JPCAGKHDLHLAFA-YERXGYGTSA-N 1 3 326.485 0.263 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/CN1CCOCC1 ZINC000869236805 589954916 /nfs/dbraw/zinc/95/49/16/589954916.db2.gz JPCAGKHDLHLAFA-YERXGYGTSA-N 1 3 326.485 0.263 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998483 590044092 /nfs/dbraw/zinc/04/40/92/590044092.db2.gz CQPCEGCERNBKCM-XQLPTFJDSA-N 1 3 336.436 0.254 20 0 ECADHO CC[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1)N(C)C ZINC000871462142 590071458 /nfs/dbraw/zinc/07/14/58/590071458.db2.gz OARXJXWVZAOHBK-KFWWJZLASA-N 1 3 342.484 0.010 20 0 ECADHO COC(=O)c1ccc(CC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000865178590 590129817 /nfs/dbraw/zinc/12/98/17/590129817.db2.gz ZTMAYDVFKOMDEO-UHFFFAOYSA-N 1 3 336.436 0.363 20 0 ECADHO CN(Cc1cc2c(s1)CC[NH2+]C2)C[C@@H](O)CN1CCOCC1 ZINC000873206110 590186646 /nfs/dbraw/zinc/18/66/46/590186646.db2.gz WBZUVSYMROWWCL-CQSZACIVSA-N 1 3 325.478 0.519 20 0 ECADHO COC(=O)CC[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000873228159 590187176 /nfs/dbraw/zinc/18/71/76/590187176.db2.gz AKNFZHSOWKYETA-CABCVRRESA-N 1 3 325.453 0.849 20 0 ECADHO COC(=O)CC[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000873228159 590187178 /nfs/dbraw/zinc/18/71/78/590187178.db2.gz AKNFZHSOWKYETA-CABCVRRESA-N 1 3 325.453 0.849 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875059668 590266419 /nfs/dbraw/zinc/26/64/19/590266419.db2.gz YMWVEIVCUYQYID-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000875059668 590266421 /nfs/dbraw/zinc/26/64/21/590266421.db2.gz YMWVEIVCUYQYID-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)N1CCCCC1 ZINC000875106660 590271837 /nfs/dbraw/zinc/27/18/37/590271837.db2.gz IGRVPXPPWJQOLU-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)N1CCCCC1 ZINC000875106660 590271838 /nfs/dbraw/zinc/27/18/38/590271838.db2.gz IGRVPXPPWJQOLU-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](C[S@](C)=O)NC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000875486685 590305278 /nfs/dbraw/zinc/30/52/78/590305278.db2.gz YDHNJQLZOPHBAI-PRBDWKGHSA-N 1 3 332.514 0.134 20 0 ECADHO COC(=O)C1=CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000875713865 590324022 /nfs/dbraw/zinc/32/40/22/590324022.db2.gz IINKKDMKJSAGJZ-DZGCQCFKSA-N 1 3 340.468 0.819 20 0 ECADHO COC(=O)C1=CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000875713865 590324024 /nfs/dbraw/zinc/32/40/24/590324024.db2.gz IINKKDMKJSAGJZ-DZGCQCFKSA-N 1 3 340.468 0.819 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC[C@@H]1CCOC1=O ZINC000876365238 590374914 /nfs/dbraw/zinc/37/49/14/590374914.db2.gz RSYQQAHEPUMEFE-CQSZACIVSA-N 1 3 328.457 0.465 20 0 ECADHO COc1cccc([C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)N2CCCC2)c1 ZINC000876709121 590400843 /nfs/dbraw/zinc/40/08/43/590400843.db2.gz JNHGLXBODNWYIE-DLBZAZTESA-N 1 3 334.464 0.837 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000876780976 590414349 /nfs/dbraw/zinc/41/43/49/590414349.db2.gz LHNACLJBXFLZGB-MSOLQXFVSA-N 1 3 348.466 0.998 20 0 ECADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CNCCC1(F)F ZINC000876866681 590420493 /nfs/dbraw/zinc/42/04/93/590420493.db2.gz WENGQBCDQMLNAJ-RYUDHWBXSA-N 1 3 327.379 0.843 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876866803 590420522 /nfs/dbraw/zinc/42/05/22/590420522.db2.gz XQUJLVMAVFMUIO-KBPBESRZSA-N 1 3 326.391 0.559 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000877008849 590433208 /nfs/dbraw/zinc/43/32/08/590433208.db2.gz AODCSNAOWGOTSP-UKRRQHHQSA-N 1 3 336.411 0.864 20 0 ECADHO CN1CCC2(CC1)CCN(C(=O)C1([S@@](C)=O)CC[NH2+]CC1)CC2 ZINC000877192323 590444041 /nfs/dbraw/zinc/44/40/41/590444041.db2.gz LPCGXFTWDZQXOK-HSZRJFAPSA-N 1 3 341.521 0.822 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)c2)nn1 ZINC000877206925 590445165 /nfs/dbraw/zinc/44/51/65/590445165.db2.gz OWYPZLFJMFHXOU-RDJZCZTQSA-N 1 3 326.404 0.342 20 0 ECADHO [NH3+]CCCCn1cc(C(=O)NC[C@H]2Cc3ccccc3CN2)nn1 ZINC000877341038 590459376 /nfs/dbraw/zinc/45/93/76/590459376.db2.gz PDKDHYQONVZOMS-OAHLLOKOSA-N 1 3 328.420 0.461 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000877362259 590460935 /nfs/dbraw/zinc/46/09/35/590460935.db2.gz ZPQSNBIVNVWUNU-STQMWFEESA-N 1 3 336.402 0.610 20 0 ECADHO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC(=O)NC2CCN(C)CC2)cn1 ZINC000878950939 590553798 /nfs/dbraw/zinc/55/37/98/590553798.db2.gz ASJSQAUUYBNCRS-DOTOQJQBSA-N 1 3 333.480 0.931 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883298902 590611981 /nfs/dbraw/zinc/61/19/81/590611981.db2.gz FYZCUYXTFOKBPB-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883637963 590636717 /nfs/dbraw/zinc/63/67/17/590636717.db2.gz ACLHHYIZUSOZFF-LSDHHAIUSA-N 1 3 345.447 0.316 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCN1c1ccncc1 ZINC000883639812 590637588 /nfs/dbraw/zinc/63/75/88/590637588.db2.gz ZHOMGFKKQHNRAC-DZGCQCFKSA-N 1 3 331.420 0.068 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@@H]21 ZINC000883659244 590646314 /nfs/dbraw/zinc/64/63/14/590646314.db2.gz BURBYSIZCLRSIQ-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@@H]21 ZINC000883659244 590646317 /nfs/dbraw/zinc/64/63/17/590646317.db2.gz BURBYSIZCLRSIQ-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CCC[C@H](C)C1 ZINC000884923808 590650094 /nfs/dbraw/zinc/65/00/94/590650094.db2.gz VCYPFGBFMZESGV-FZKCQIBNSA-N 1 3 338.496 0.857 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000884926011 590650823 /nfs/dbraw/zinc/65/08/23/590650823.db2.gz MBNDWGBUXXOHDE-BZUAXINKSA-N 1 3 336.480 0.707 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884969039 590657814 /nfs/dbraw/zinc/65/78/14/590657814.db2.gz YQLMZBIOAUDOQP-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NCCC(C)(C)[NH3+])cc1 ZINC000885205063 590695626 /nfs/dbraw/zinc/69/56/26/590695626.db2.gz WGIZONNKTGKPCX-UHFFFAOYSA-N 1 3 334.464 0.950 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885275774 590702017 /nfs/dbraw/zinc/70/20/17/590702017.db2.gz IEKQZFJRJCQNSD-STQMWFEESA-N 1 3 346.422 0.289 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)c2ccnc(N3CCNCC3)c2)cc1 ZINC000884021314 590706726 /nfs/dbraw/zinc/70/67/26/590706726.db2.gz XQBHOXQHHXRNKO-UHFFFAOYSA-N 1 3 339.443 0.922 20 0 ECADHO C[NH+](C)CC1CCN(C(=O)c2ccnc(N3CCNCC3)c2)CC1 ZINC000884189766 590768173 /nfs/dbraw/zinc/76/81/73/590768173.db2.gz MKXIXMFKFRCNGE-UHFFFAOYSA-N 1 3 331.464 0.905 20 0 ECADHO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000884226550 590782330 /nfs/dbraw/zinc/78/23/30/590782330.db2.gz WGWWHRBJZRBVPS-AWEZNQCLSA-N 1 3 338.456 0.134 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884232968 590783447 /nfs/dbraw/zinc/78/34/47/590783447.db2.gz FCEONMHBUMOVNU-BBRMVZONSA-N 1 3 329.448 0.704 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000884287722 590797206 /nfs/dbraw/zinc/79/72/06/590797206.db2.gz KDROIHQBOLYGCD-GOSISDBHSA-N 1 3 329.448 0.707 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000884576633 590861432 /nfs/dbraw/zinc/86/14/32/590861432.db2.gz MGJPKCMOFUGUOM-UHFFFAOYSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000884577451 590862366 /nfs/dbraw/zinc/86/23/66/590862366.db2.gz FMHDKCDWRXVWOO-OIISXLGYSA-N 1 3 344.459 0.888 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884601344 590867685 /nfs/dbraw/zinc/86/76/85/590867685.db2.gz IILQUXSUDCDADS-KBPBESRZSA-N 1 3 326.485 0.727 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884601441 590867923 /nfs/dbraw/zinc/86/79/23/590867923.db2.gz LQTLCQDTHZVBMU-YOEHRIQHSA-N 1 3 346.475 0.664 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884601441 590867928 /nfs/dbraw/zinc/86/79/28/590867928.db2.gz LQTLCQDTHZVBMU-YOEHRIQHSA-N 1 3 346.475 0.664 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884617048 590872724 /nfs/dbraw/zinc/87/27/24/590872724.db2.gz GXAPESSWJKSSEO-OLZOCXBDSA-N 1 3 346.422 0.338 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884650602 590883411 /nfs/dbraw/zinc/88/34/11/590883411.db2.gz PPFKXDFNSJHQDU-MNOVXSKESA-N 1 3 338.374 0.040 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000884715926 590905855 /nfs/dbraw/zinc/90/58/55/590905855.db2.gz IJPQACSPIIYDGF-CABCVRRESA-N 1 3 345.447 0.377 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884716964 590906684 /nfs/dbraw/zinc/90/66/84/590906684.db2.gz OGJCMGWPHUGLJU-FMKPAKJESA-N 1 3 345.447 0.233 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000884776220 590919977 /nfs/dbraw/zinc/91/99/77/590919977.db2.gz PGACYGCYXSZKHT-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000884776294 590920272 /nfs/dbraw/zinc/92/02/72/590920272.db2.gz QVPSUIRFGJPECV-FPCVCCKLSA-N 1 3 336.480 0.753 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884791008 590924104 /nfs/dbraw/zinc/92/41/04/590924104.db2.gz PXXRLQKQWWXHKF-GOEBONIOSA-N 1 3 347.463 0.608 20 0 ECADHO O=C(C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000887081317 590939910 /nfs/dbraw/zinc/93/99/10/590939910.db2.gz QIECOGKKCFENFC-LPHOPBHVSA-N 1 3 348.491 0.675 20 0 ECADHO C[NH+]1CCC2(CCN2C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000929991554 611376769 /nfs/dbraw/zinc/37/67/69/611376769.db2.gz GTCNYYTVTKCAMO-HNNXBMFYSA-N 1 3 334.464 0.284 20 0 ECADHO COCC[N@H+](C)CCCN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000925287612 611465223 /nfs/dbraw/zinc/46/52/23/611465223.db2.gz RHKRZNYIOJLKHO-AWEZNQCLSA-N 1 3 326.441 0.361 20 0 ECADHO COCC[N@@H+](C)CCCN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000925287612 611465226 /nfs/dbraw/zinc/46/52/26/611465226.db2.gz RHKRZNYIOJLKHO-AWEZNQCLSA-N 1 3 326.441 0.361 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946779259 611472512 /nfs/dbraw/zinc/47/25/12/611472512.db2.gz LTZXYPCEQWQDAK-NCOADZHNSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946779259 611472513 /nfs/dbraw/zinc/47/25/13/611472513.db2.gz LTZXYPCEQWQDAK-NCOADZHNSA-N 1 3 348.491 0.387 20 0 ECADHO C[NH+]1CCC2(CCN2C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000930957699 611489248 /nfs/dbraw/zinc/48/92/48/611489248.db2.gz NCDAWZYKTIDTFE-HZPDHXFCSA-N 1 3 348.491 0.816 20 0 ECADHO C[NH+](C)CC[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1cccnc1 ZINC000925916007 611505485 /nfs/dbraw/zinc/50/54/85/611505485.db2.gz RXTSPAUUFZAAFO-GVDBMIGSSA-N 1 3 347.463 0.535 20 0 ECADHO COC[C@H](C)OC[C@H](O)C[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931286085 611528313 /nfs/dbraw/zinc/52/83/13/611528313.db2.gz ADSJYOWYVPGXMF-DOTOQJQBSA-N 1 3 330.469 0.586 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000931516453 611547687 /nfs/dbraw/zinc/54/76/87/611547687.db2.gz UBCVIAPAGPQFSC-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000931516453 611547689 /nfs/dbraw/zinc/54/76/89/611547689.db2.gz UBCVIAPAGPQFSC-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000948417274 611583862 /nfs/dbraw/zinc/58/38/62/611583862.db2.gz BQAVHKZVCQEZTO-WFASDCNBSA-N 1 3 347.463 0.566 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000948417274 611583864 /nfs/dbraw/zinc/58/38/64/611583864.db2.gz BQAVHKZVCQEZTO-WFASDCNBSA-N 1 3 347.463 0.566 20 0 ECADHO Cc1cccc(NCCNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)n1 ZINC000927484429 611606464 /nfs/dbraw/zinc/60/64/64/611606464.db2.gz VBQIWUJBTBAJOG-CABCVRRESA-N 1 3 335.452 0.898 20 0 ECADHO Cc1cccc(NCCNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)n1 ZINC000927484429 611606465 /nfs/dbraw/zinc/60/64/65/611606465.db2.gz VBQIWUJBTBAJOG-CABCVRRESA-N 1 3 335.452 0.898 20 0 ECADHO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C[C@H]1CN2CCC[C@H]2CO1 ZINC000924560183 608938482 /nfs/dbraw/zinc/93/84/82/608938482.db2.gz LWNJTLQXKFSFMF-RRFJBIMHSA-N 1 3 336.436 0.256 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000937947862 609413508 /nfs/dbraw/zinc/41/35/08/609413508.db2.gz GKICUQMORDKVPN-ARFHVFGLSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000937947862 609413510 /nfs/dbraw/zinc/41/35/10/609413510.db2.gz GKICUQMORDKVPN-ARFHVFGLSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@H](C(=O)N[C@H]1CCC[C@@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000907734414 609617709 /nfs/dbraw/zinc/61/77/09/609617709.db2.gz WYXBRJNJYFUSHR-BYNSBNAKSA-N 1 3 326.485 0.820 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000920421820 609681907 /nfs/dbraw/zinc/68/19/07/609681907.db2.gz RJWMJLCCWPYYMM-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000920421820 609681909 /nfs/dbraw/zinc/68/19/09/609681909.db2.gz RJWMJLCCWPYYMM-INIZCTEOSA-N 1 3 342.484 0.507 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909311310 609693272 /nfs/dbraw/zinc/69/32/72/609693272.db2.gz BKJYQSMLADFEQJ-MRXNPFEDSA-N 1 3 338.496 0.827 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909311310 609693275 /nfs/dbraw/zinc/69/32/75/609693275.db2.gz BKJYQSMLADFEQJ-MRXNPFEDSA-N 1 3 338.496 0.827 20 0 ECADHO CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C[NH+](C)C ZINC000929405205 609739930 /nfs/dbraw/zinc/73/99/30/609739930.db2.gz RCUQJLDVNZSCLZ-LSDHHAIUSA-N 1 3 342.484 0.060 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)Cc1ccccc1 ZINC000910963530 609783835 /nfs/dbraw/zinc/78/38/35/609783835.db2.gz SQMRKGDISOLYIJ-CVEARBPZSA-N 1 3 346.475 0.390 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911027954 609791751 /nfs/dbraw/zinc/79/17/51/609791751.db2.gz GCADWSYKMFHUIB-VKJFTORMSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)N(C)Cc1ccccc1 ZINC000911011001 609793806 /nfs/dbraw/zinc/79/38/06/609793806.db2.gz ZZQCTDUXZYKBGP-GOEBONIOSA-N 1 3 346.475 0.737 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911055720 609795835 /nfs/dbraw/zinc/79/58/35/609795835.db2.gz QOKMKZSNKQXVPX-YJBOKZPZSA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911029755 609796264 /nfs/dbraw/zinc/79/62/64/609796264.db2.gz PFTZURAMBNIKSI-FXUDXRNXSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913692180 609812707 /nfs/dbraw/zinc/81/27/07/609812707.db2.gz ALIFSKKECNVLRV-MRXNPFEDSA-N 1 3 327.469 0.262 20 0 ECADHO O=S(=O)(C[C@@]12CCN(C1)CCC2)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000913913283 609833561 /nfs/dbraw/zinc/83/35/61/609833561.db2.gz YESQYIIYTJUWTG-HOCLYGCPSA-N 1 3 327.494 0.876 20 0 ECADHO O=S(=O)(C[C@@]12CCN(C1)CCC2)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000913913283 609833562 /nfs/dbraw/zinc/83/35/62/609833562.db2.gz YESQYIIYTJUWTG-HOCLYGCPSA-N 1 3 327.494 0.876 20 0 ECADHO O=S(=O)(C[C@@]12CCN(C1)CCC2)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000913913284 609833660 /nfs/dbraw/zinc/83/36/60/609833660.db2.gz YESQYIIYTJUWTG-ZBFHGGJFSA-N 1 3 327.494 0.876 20 0 ECADHO O=S(=O)(C[C@@]12CCN(C1)CCC2)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000913913284 609833661 /nfs/dbraw/zinc/83/36/61/609833661.db2.gz YESQYIIYTJUWTG-ZBFHGGJFSA-N 1 3 327.494 0.876 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911332101 609849946 /nfs/dbraw/zinc/84/99/46/609849946.db2.gz NWWOZLACVVAGRV-DAYGRLMNSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911332142 609849968 /nfs/dbraw/zinc/84/99/68/609849968.db2.gz OAJYXJGGONGLLS-PMPSAXMXSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000911373734 609863943 /nfs/dbraw/zinc/86/39/43/609863943.db2.gz JDFBTKWZWVEYOJ-DJIMGWMZSA-N 1 3 344.459 0.443 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911394601 609866450 /nfs/dbraw/zinc/86/64/50/609866450.db2.gz CUSSZQLZKXECRC-HUUCEWRRSA-N 1 3 326.485 0.394 20 0 ECADHO CN1CC[C@H]1CNC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000914420334 609886604 /nfs/dbraw/zinc/88/66/04/609886604.db2.gz NATINERZLAVUFW-HNNXBMFYSA-N 1 3 332.452 0.337 20 0 ECADHO CN1CCN(c2ncccc2CNC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000914420334 609886606 /nfs/dbraw/zinc/88/66/06/609886606.db2.gz NATINERZLAVUFW-HNNXBMFYSA-N 1 3 332.452 0.337 20 0 ECADHO CN1CCN(c2ncccc2CNC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000914420334 609886609 /nfs/dbraw/zinc/88/66/09/609886609.db2.gz NATINERZLAVUFW-HNNXBMFYSA-N 1 3 332.452 0.337 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517698 609890343 /nfs/dbraw/zinc/89/03/43/609890343.db2.gz KTZMQTFPWBGWKQ-IAGOWNOFSA-N 1 3 344.459 0.672 20 0 ECADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000911883893 609919158 /nfs/dbraw/zinc/91/91/58/609919158.db2.gz RSGFQPPDIYZPEB-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000911883893 609919159 /nfs/dbraw/zinc/91/91/59/609919159.db2.gz RSGFQPPDIYZPEB-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CCO[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C[NH+](C)C ZINC000916841658 609951047 /nfs/dbraw/zinc/95/10/47/609951047.db2.gz GVGXCAMOKSXFSS-KFWWJZLASA-N 1 3 328.457 0.116 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000938825372 610026718 /nfs/dbraw/zinc/02/67/18/610026718.db2.gz UHBDIWIDLLOESY-GJZGRUSLSA-N 1 3 334.464 0.141 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908682 610169008 /nfs/dbraw/zinc/16/90/08/610169008.db2.gz SGJVFQQNZNETGX-DZGCQCFKSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908682 610169009 /nfs/dbraw/zinc/16/90/09/610169009.db2.gz SGJVFQQNZNETGX-DZGCQCFKSA-N 1 3 333.436 0.353 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC000939398358 610185672 /nfs/dbraw/zinc/18/56/72/610185672.db2.gz OWLMAKVJXZWVHL-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000942556958 610515228 /nfs/dbraw/zinc/51/52/28/610515228.db2.gz FQDGZDFQSUKYLZ-ZFWWWQNUSA-N 1 3 333.436 0.211 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000942556958 610515230 /nfs/dbraw/zinc/51/52/30/610515230.db2.gz FQDGZDFQSUKYLZ-ZFWWWQNUSA-N 1 3 333.436 0.211 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@@H+]1C ZINC000941217700 610601264 /nfs/dbraw/zinc/60/12/64/610601264.db2.gz LCLTYGXTLXSILZ-UKRRQHHQSA-N 1 3 333.436 0.353 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@H+]1C ZINC000941217700 610601266 /nfs/dbraw/zinc/60/12/66/610601266.db2.gz LCLTYGXTLXSILZ-UKRRQHHQSA-N 1 3 333.436 0.353 20 0 ECADHO CC1(C)CN(CC(=O)N2CCC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941220839 610605999 /nfs/dbraw/zinc/60/59/99/610605999.db2.gz IQXMPIFEKSFSTQ-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000942244864 610717113 /nfs/dbraw/zinc/71/71/13/610717113.db2.gz DADQJDSRFZIMIU-JONQDZQNSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000942244864 610717114 /nfs/dbraw/zinc/71/71/14/610717114.db2.gz DADQJDSRFZIMIU-JONQDZQNSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H]1CN(CCn2cncn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171144 610764354 /nfs/dbraw/zinc/76/43/54/610764354.db2.gz WVEAQIJALACQTE-CABCVRRESA-N 1 3 332.452 0.201 20 0 ECADHO C[C@H]1CN(CCN2CCCC2=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171487 610764661 /nfs/dbraw/zinc/76/46/61/610764661.db2.gz XSOCLYSDCGFJPO-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000945550063 611074488 /nfs/dbraw/zinc/07/44/88/611074488.db2.gz OMKXXPFECYPLGO-ZFWWWQNUSA-N 1 3 345.447 0.401 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000923347074 611232932 /nfs/dbraw/zinc/23/29/32/611232932.db2.gz UVICBOSKBSYXHL-ROUUACIJSA-N 1 3 345.491 0.806 20 0 ECADHO CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000923347074 611232935 /nfs/dbraw/zinc/23/29/35/611232935.db2.gz UVICBOSKBSYXHL-ROUUACIJSA-N 1 3 345.491 0.806 20 0 ECADHO Cc1ccc([C@@H](O)CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413768 611240701 /nfs/dbraw/zinc/24/07/01/611240701.db2.gz HWELDZIJPGPPMF-YVSFHVDLSA-N 1 3 331.416 0.895 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946902652 611245804 /nfs/dbraw/zinc/24/58/04/611245804.db2.gz TTZNZECISRFVNC-GEEKYZPCSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946902652 611245806 /nfs/dbraw/zinc/24/58/06/611245806.db2.gz TTZNZECISRFVNC-GEEKYZPCSA-N 1 3 336.480 0.515 20 0 ECADHO Cn1c(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)cc(=O)n(C)c1=O ZINC000923502809 611251240 /nfs/dbraw/zinc/25/12/40/611251240.db2.gz BPINVAYMGRBMGT-AWEZNQCLSA-N 1 3 334.464 0.686 20 0 ECADHO CN(C)[C@@H](CNC(=O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000923516850 611253735 /nfs/dbraw/zinc/25/37/35/611253735.db2.gz VUHRGKWBZXVTBT-KSZLIROESA-N 1 3 330.476 0.947 20 0 ECADHO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)C1CNC1 ZINC000923588559 611270093 /nfs/dbraw/zinc/27/00/93/611270093.db2.gz GGFVHWHCNLPNPP-UHFFFAOYSA-N 1 3 341.477 0.798 20 0 ECADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851667334 611322785 /nfs/dbraw/zinc/32/27/85/611322785.db2.gz MDEQGZOTIRBFIS-QWHCGFSZSA-N 1 3 332.395 0.536 20 0 ECADHO C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923615003 611329669 /nfs/dbraw/zinc/32/96/69/611329669.db2.gz IYBRUIZFONMQBN-UKRRQHHQSA-N 1 3 333.498 0.093 20 0 ECADHO [NH3+][C@@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@H]1c1ccc(F)cc1 ZINC000923658347 611337209 /nfs/dbraw/zinc/33/72/09/611337209.db2.gz KHGSZINOFOCMTN-LSDHHAIUSA-N 1 3 342.440 0.092 20 0 ECADHO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923673417 611339700 /nfs/dbraw/zinc/33/97/00/611339700.db2.gz YGMMSZPSZYLGER-UHFFFAOYSA-N 1 3 344.525 0.867 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCN1CCNC1=O ZINC000947935587 611747251 /nfs/dbraw/zinc/74/72/51/611747251.db2.gz RWNDVOMRSDDJOW-LSDHHAIUSA-N 1 3 349.479 0.077 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000929570682 611765934 /nfs/dbraw/zinc/76/59/34/611765934.db2.gz ZHIOGHZHEQBUTO-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000929570682 611765935 /nfs/dbraw/zinc/76/59/35/611765935.db2.gz ZHIOGHZHEQBUTO-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2CCN(CC[C@H]3CCCO3)CC2)C1 ZINC000949840384 611777286 /nfs/dbraw/zinc/77/72/86/611777286.db2.gz AVHBNRBJBKQLSH-SJORKVTESA-N 1 3 339.480 0.809 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2CC[NH+](CC[C@H]3CCCO3)CC2)C1 ZINC000949840384 611777287 /nfs/dbraw/zinc/77/72/87/611777287.db2.gz AVHBNRBJBKQLSH-SJORKVTESA-N 1 3 339.480 0.809 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(CC2CN(S(C)(=O)=O)C2)C1 ZINC000929771622 611792372 /nfs/dbraw/zinc/79/23/72/611792372.db2.gz QXAXBMBXNBKFBG-HNNXBMFYSA-N 1 3 333.498 0.311 20 0 ECADHO C[C@@H](O)C[NH+]1CCC2(CC1)CN(C(=O)CN1CC[C@H](C)C1)CCO2 ZINC000949189420 611894577 /nfs/dbraw/zinc/89/45/77/611894577.db2.gz UVBLNHKHDFXANT-JKSUJKDBSA-N 1 3 339.480 0.402 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950823325 611926149 /nfs/dbraw/zinc/92/61/49/611926149.db2.gz DQKRJIWHYXTKGJ-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC000950825612 611927233 /nfs/dbraw/zinc/92/72/33/611927233.db2.gz STNZLPQOFODJDF-OAHLLOKOSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC000952718438 612082617 /nfs/dbraw/zinc/08/26/17/612082617.db2.gz ZYSNKNXUIUKLGT-NCOADZHNSA-N 1 3 348.491 0.624 20 0 ECADHO CN1CCC[C@H]1C(=O)N1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC000952718438 612082619 /nfs/dbraw/zinc/08/26/19/612082619.db2.gz ZYSNKNXUIUKLGT-NCOADZHNSA-N 1 3 348.491 0.624 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000951238318 612096591 /nfs/dbraw/zinc/09/65/91/612096591.db2.gz HEGBOBMKZBJSPG-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000951239413 612097710 /nfs/dbraw/zinc/09/77/10/612097710.db2.gz VSQMYZDOYLPQDT-LSDHHAIUSA-N 1 3 334.464 0.141 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000953904449 612417583 /nfs/dbraw/zinc/41/75/83/612417583.db2.gz CKLAZCXVCRHHLH-MRXNPFEDSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000955344893 612472461 /nfs/dbraw/zinc/47/24/61/612472461.db2.gz RHWWYRICOCRITO-AWEZNQCLSA-N 1 3 334.464 0.093 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000951731679 612523653 /nfs/dbraw/zinc/52/36/53/612523653.db2.gz GIDWLMVIGPJJJE-JONQDZQNSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000951731679 612523660 /nfs/dbraw/zinc/52/36/60/612523660.db2.gz GIDWLMVIGPJJJE-JONQDZQNSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC000951735741 612531500 /nfs/dbraw/zinc/53/15/00/612531500.db2.gz JWPLFAZUIDJMMD-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC000951735741 612531506 /nfs/dbraw/zinc/53/15/06/612531506.db2.gz JWPLFAZUIDJMMD-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000955443883 612590085 /nfs/dbraw/zinc/59/00/85/612590085.db2.gz MHSYRAMMWPBZRK-GDBMZVCRSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000955443883 612590087 /nfs/dbraw/zinc/59/00/87/612590087.db2.gz MHSYRAMMWPBZRK-GDBMZVCRSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000955445288 612593927 /nfs/dbraw/zinc/59/39/27/612593927.db2.gz XPQMWJFAJJXZSX-UHFFFAOYSA-N 1 3 331.420 0.250 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000956057211 612657149 /nfs/dbraw/zinc/65/71/49/612657149.db2.gz IZRCSPPKWCRSRP-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000956057211 612657150 /nfs/dbraw/zinc/65/71/50/612657150.db2.gz IZRCSPPKWCRSRP-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954270283 612813303 /nfs/dbraw/zinc/81/33/03/612813303.db2.gz YNRCKCNDQIBQGN-INIZCTEOSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000954997261 612842485 /nfs/dbraw/zinc/84/24/85/612842485.db2.gz RDRMHFXWPJTXDW-CJNGLKHVSA-N 1 3 347.463 0.599 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000954997261 612842489 /nfs/dbraw/zinc/84/24/89/612842489.db2.gz RDRMHFXWPJTXDW-CJNGLKHVSA-N 1 3 347.463 0.599 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000954325338 612856781 /nfs/dbraw/zinc/85/67/81/612856781.db2.gz HIYRABQHLFSAHP-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000954325338 612856783 /nfs/dbraw/zinc/85/67/83/612856783.db2.gz HIYRABQHLFSAHP-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CC[C@@H](N2CC[C@]3(CCN(C(=O)C45CC[NH+](CC4)C5)C3)C2)C1=O ZINC001041788319 782209796 /nfs/dbraw/zinc/20/97/96/782209796.db2.gz BSAJPDKBLAPLBZ-QAPCUYQASA-N 1 3 346.475 0.237 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(N(CCO)Cc3ccccn3)CC2)C1 ZINC001098561220 735473753 /nfs/dbraw/zinc/47/37/53/735473753.db2.gz XANXFXVDJIYYRY-INIZCTEOSA-N 1 3 346.475 0.819 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC(N(CCO)Cc3ccccn3)CC2)C1 ZINC001098561220 735473755 /nfs/dbraw/zinc/47/37/55/735473755.db2.gz XANXFXVDJIYYRY-INIZCTEOSA-N 1 3 346.475 0.819 20 0 ECADHO O=C(N1CC[C@]2(CCN([C@@H]3CCCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001041789184 782213093 /nfs/dbraw/zinc/21/30/93/782213093.db2.gz NEKZIMZGHWPKFV-QAPCUYQASA-N 1 3 346.475 0.285 20 0 ECADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000969152484 731535576 /nfs/dbraw/zinc/53/55/76/731535576.db2.gz VTYALHDXRQDIPK-HIFRSBDPSA-N 1 3 336.480 0.718 20 0 ECADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000969152484 731535577 /nfs/dbraw/zinc/53/55/77/731535577.db2.gz VTYALHDXRQDIPK-HIFRSBDPSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001167051357 731560689 /nfs/dbraw/zinc/56/06/89/731560689.db2.gz HSBMOUXXISQAOQ-MRXNPFEDSA-N 1 3 338.496 0.681 20 0 ECADHO O=C(CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1)N1CCC1 ZINC000969458823 731907758 /nfs/dbraw/zinc/90/77/58/731907758.db2.gz ZZIXXBHIELOZTK-NVXWUHKLSA-N 1 3 334.464 0.284 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000969595010 731992795 /nfs/dbraw/zinc/99/27/95/731992795.db2.gz HVJNGPABTKPVEA-RBSFLKMASA-N 1 3 343.493 0.096 20 0 ECADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114984770 732577694 /nfs/dbraw/zinc/57/76/94/732577694.db2.gz NLKQRNRIVZINPK-CBZIJGRNSA-N 1 3 341.496 0.552 20 0 ECADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114984770 732577698 /nfs/dbraw/zinc/57/76/98/732577698.db2.gz NLKQRNRIVZINPK-CBZIJGRNSA-N 1 3 341.496 0.552 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(CNCc2cnnn2C)CC1 ZINC001167236848 733083337 /nfs/dbraw/zinc/08/33/37/733083337.db2.gz QPYMVKSPAXPCLG-ZFWWWQNUSA-N 1 3 334.468 0.389 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(CNCc2cnnn2C)CC1 ZINC001167236848 733083342 /nfs/dbraw/zinc/08/33/42/733083342.db2.gz QPYMVKSPAXPCLG-ZFWWWQNUSA-N 1 3 334.468 0.389 20 0 ECADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001025137973 738707504 /nfs/dbraw/zinc/70/75/04/738707504.db2.gz DBSRVLNJUDCHOK-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001025137973 738707507 /nfs/dbraw/zinc/70/75/07/738707507.db2.gz DBSRVLNJUDCHOK-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC000970716882 733866172 /nfs/dbraw/zinc/86/61/72/733866172.db2.gz HRBVOEFNMWMAAI-ZBFHGGJFSA-N 1 3 334.464 0.426 20 0 ECADHO Cc1csc(=O)n1CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970717318 733867454 /nfs/dbraw/zinc/86/74/54/733867454.db2.gz MYCHDQKKPHIQEV-CQSZACIVSA-N 1 3 338.477 0.505 20 0 ECADHO CNC(=O)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000970720295 733870149 /nfs/dbraw/zinc/87/01/49/733870149.db2.gz PZYWRNASVIWZQK-QGZVFWFLSA-N 1 3 344.459 0.833 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104290971 734001210 /nfs/dbraw/zinc/00/12/10/734001210.db2.gz GXQHWTCVTIHZBQ-FRFSOERESA-N 1 3 338.496 0.489 20 0 ECADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)N2CCC2)CCCCC1)N(C)C ZINC001115592129 734338828 /nfs/dbraw/zinc/33/88/28/734338828.db2.gz UMKGQOKPEFXQRP-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861193 735264764 /nfs/dbraw/zinc/26/47/64/735264764.db2.gz IYEQRUFDMFFFJZ-OAHLLOKOSA-N 1 3 349.479 0.173 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)c1 ZINC001078224609 782518931 /nfs/dbraw/zinc/51/89/31/782518931.db2.gz QAHIJVGGHBTEIS-KBAYOESNSA-N 1 3 347.459 0.560 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)c1 ZINC001078224609 782518936 /nfs/dbraw/zinc/51/89/36/782518936.db2.gz QAHIJVGGHBTEIS-KBAYOESNSA-N 1 3 347.459 0.560 20 0 ECADHO COc1nccc(CNCCCNC(=O)CC2CC[NH+](C)CC2)n1 ZINC001167655657 736317108 /nfs/dbraw/zinc/31/71/08/736317108.db2.gz XAYZUSQBAAALMS-UHFFFAOYSA-N 1 3 335.452 0.813 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001022973402 736342732 /nfs/dbraw/zinc/34/27/32/736342732.db2.gz JQMPGXHKKDFXQJ-BMFZPTHFSA-N 1 3 347.463 0.872 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001022973402 736342737 /nfs/dbraw/zinc/34/27/37/736342737.db2.gz JQMPGXHKKDFXQJ-BMFZPTHFSA-N 1 3 347.463 0.872 20 0 ECADHO CCn1nncc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001023130237 736525431 /nfs/dbraw/zinc/52/54/31/736525431.db2.gz FZNRUYUCNNFSPH-IJEWVQPXSA-N 1 3 334.468 0.909 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]32)CCC1 ZINC000972639237 737202601 /nfs/dbraw/zinc/20/26/01/737202601.db2.gz XGHOVNPBJFUAPC-BZUAXINKSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)CCC1 ZINC000972639237 737202603 /nfs/dbraw/zinc/20/26/03/737202603.db2.gz XGHOVNPBJFUAPC-BZUAXINKSA-N 1 3 348.491 0.482 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCn2cncn2)C1)C12CC[NH+](CC1)C2 ZINC001023703287 737213576 /nfs/dbraw/zinc/21/35/76/737213576.db2.gz GGBZWTQPKDXHHH-HNNXBMFYSA-N 1 3 332.452 0.202 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)n1 ZINC001087257024 737411028 /nfs/dbraw/zinc/41/10/28/737411028.db2.gz WQSHPAFQGMXHGQ-GXTWGEPZSA-N 1 3 333.436 0.782 20 0 ECADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)n1 ZINC001087257024 737411029 /nfs/dbraw/zinc/41/10/29/737411029.db2.gz WQSHPAFQGMXHGQ-GXTWGEPZSA-N 1 3 333.436 0.782 20 0 ECADHO CN(CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001024017324 737620240 /nfs/dbraw/zinc/62/02/40/737620240.db2.gz DOCGJOGUCREPRO-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC001024156967 737784869 /nfs/dbraw/zinc/78/48/69/737784869.db2.gz VVUBGOCBDIQTNL-LSDHHAIUSA-N 1 3 334.468 0.485 20 0 ECADHO Cn1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC001024177591 737799565 /nfs/dbraw/zinc/79/95/65/737799565.db2.gz RZRXUGNADDRZET-HNNXBMFYSA-N 1 3 343.431 0.679 20 0 ECADHO COc1nccc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC001024267158 737863324 /nfs/dbraw/zinc/86/33/24/737863324.db2.gz YKQOPXNWKPUJGZ-OAHLLOKOSA-N 1 3 347.463 0.909 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001006457905 751406993 /nfs/dbraw/zinc/40/69/93/751406993.db2.gz PVPFWHGYCPDONI-GJZGRUSLSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)C1 ZINC000982012705 751461585 /nfs/dbraw/zinc/46/15/85/751461585.db2.gz DYIKSRYCLVQHOQ-MRXNPFEDSA-N 1 3 346.479 0.544 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)C1 ZINC000982012705 751461591 /nfs/dbraw/zinc/46/15/91/751461591.db2.gz DYIKSRYCLVQHOQ-MRXNPFEDSA-N 1 3 346.479 0.544 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025809017 739975622 /nfs/dbraw/zinc/97/56/22/739975622.db2.gz MVWAGNLVTOALRB-LEOABGAYSA-N 1 3 334.464 0.186 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025809017 739975624 /nfs/dbraw/zinc/97/56/24/739975624.db2.gz MVWAGNLVTOALRB-LEOABGAYSA-N 1 3 334.464 0.186 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001025813302 739984606 /nfs/dbraw/zinc/98/46/06/739984606.db2.gz AWHHKINEPGNCQU-GAGVYUBLSA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001025813302 739984608 /nfs/dbraw/zinc/98/46/08/739984608.db2.gz AWHHKINEPGNCQU-GAGVYUBLSA-N 1 3 334.464 0.184 20 0 ECADHO CS(=O)(=O)c1ccc2ncnc(NC(=N)NCCCC[NH3+])c2c1 ZINC001167880214 751519563 /nfs/dbraw/zinc/51/95/63/751519563.db2.gz CAMDNDJWCDKKNI-UHFFFAOYSA-N 1 3 336.421 0.708 20 0 ECADHO CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1)OC ZINC001025908699 740215740 /nfs/dbraw/zinc/21/57/40/740215740.db2.gz VXYHIIFSOWGBKA-JLDYTEKVSA-N 1 3 349.475 0.321 20 0 ECADHO CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1)OC ZINC001025908699 740215742 /nfs/dbraw/zinc/21/57/42/740215742.db2.gz VXYHIIFSOWGBKA-JLDYTEKVSA-N 1 3 349.475 0.321 20 0 ECADHO CC(C)N1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1=O ZINC001026043293 740334984 /nfs/dbraw/zinc/33/49/84/740334984.db2.gz JMSJUJSMBNRIKD-RNGZQALNSA-N 1 3 348.491 0.384 20 0 ECADHO CC(C)N1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1=O ZINC001026043293 740334989 /nfs/dbraw/zinc/33/49/89/740334989.db2.gz JMSJUJSMBNRIKD-RNGZQALNSA-N 1 3 348.491 0.384 20 0 ECADHO Cc1oncc1CNCC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732587 740546221 /nfs/dbraw/zinc/54/62/21/740546221.db2.gz IQEYJEYZQIYGJX-UHFFFAOYSA-N 1 3 338.452 0.937 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4cnnn4C)[C@H]3C2)CCC1 ZINC001026283782 740743852 /nfs/dbraw/zinc/74/38/52/740743852.db2.gz MTMVSBGFQKLMSI-BPUTZDHNSA-N 1 3 346.479 0.626 20 0 ECADHO Cn1cnnc1CN[C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001026347816 740981073 /nfs/dbraw/zinc/98/10/73/740981073.db2.gz ALCRSVCYACJOEH-ARFHVFGLSA-N 1 3 346.479 0.484 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000974164289 741040465 /nfs/dbraw/zinc/04/04/65/741040465.db2.gz ZXBWKPLQWFDTOC-QMCVQRASSA-N 1 3 348.491 0.576 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CCNCc1nccn1C ZINC001105007950 741160104 /nfs/dbraw/zinc/16/01/04/741160104.db2.gz JOSIKHDRIWGJAP-OAGGEKHMSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CCNCc1nccn1C ZINC001105007950 741160106 /nfs/dbraw/zinc/16/01/06/741160106.db2.gz JOSIKHDRIWGJAP-OAGGEKHMSA-N 1 3 333.480 0.946 20 0 ECADHO Cn1ccc(CN[C@@H]2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)n1 ZINC001026400261 741239496 /nfs/dbraw/zinc/23/94/96/741239496.db2.gz HAWPLUCQMMUDIE-BHYGNILZSA-N 1 3 343.475 0.843 20 0 ECADHO C[C@H](O)CN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974591694 741927020 /nfs/dbraw/zinc/92/70/20/741927020.db2.gz DVJDEEFCHJDESY-DZGCQCFKSA-N 1 3 337.468 0.266 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001027036256 742347446 /nfs/dbraw/zinc/34/74/46/742347446.db2.gz WBYNRSKGGCADGP-AWEZNQCLSA-N 1 3 347.463 0.765 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001027042696 742356593 /nfs/dbraw/zinc/35/65/93/742356593.db2.gz LUDRGWGVROHMAU-FUHWJXTLSA-N 1 3 348.491 0.910 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001027062707 742429734 /nfs/dbraw/zinc/42/97/34/742429734.db2.gz AFDNWRBJBJANIP-NVXWUHKLSA-N 1 3 346.475 0.808 20 0 ECADHO Cn1cc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001027065925 742438554 /nfs/dbraw/zinc/43/85/54/742438554.db2.gz HJIMYNYYZIUOLQ-CQSZACIVSA-N 1 3 334.468 0.485 20 0 ECADHO Cn1cc(CNC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC001027065925 742438557 /nfs/dbraw/zinc/43/85/57/742438557.db2.gz HJIMYNYYZIUOLQ-CQSZACIVSA-N 1 3 334.468 0.485 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001027066477 742440024 /nfs/dbraw/zinc/44/00/24/742440024.db2.gz RMVNLLNYYRKYFI-CABCVRRESA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2c(C)nnn2CC)C1)N(C)C ZINC001027070268 742482592 /nfs/dbraw/zinc/48/25/92/742482592.db2.gz NJBYBOWSCUANDH-GJZGRUSLSA-N 1 3 336.484 0.885 20 0 ECADHO NC(=O)c1cccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027091361 742524694 /nfs/dbraw/zinc/52/46/94/742524694.db2.gz LAJPMMPXCZQUQZ-CQSZACIVSA-N 1 3 341.415 0.689 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC2CCC(N3CCN(CCF)CC3)CC2)C1 ZINC000996800440 742887937 /nfs/dbraw/zinc/88/79/37/742887937.db2.gz BWWSHGTVBRVHLI-GTPINHCMSA-N 1 3 340.487 0.953 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC2CCC(N3CCN(CCF)CC3)CC2)C1 ZINC000996800440 742887947 /nfs/dbraw/zinc/88/79/47/742887947.db2.gz BWWSHGTVBRVHLI-GTPINHCMSA-N 1 3 340.487 0.953 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001027173808 743008364 /nfs/dbraw/zinc/00/83/64/743008364.db2.gz WFURISXUNPIDTR-AWEZNQCLSA-N 1 3 345.447 0.519 20 0 ECADHO NC(=O)c1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000997056011 743177896 /nfs/dbraw/zinc/17/78/96/743177896.db2.gz WUOSNOPGRFBLDF-UHFFFAOYSA-N 1 3 341.415 0.832 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001027234690 743247961 /nfs/dbraw/zinc/24/79/61/743247961.db2.gz CEVVPURZXNCVKU-HOCLYGCPSA-N 1 3 334.468 0.628 20 0 ECADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC000997301235 743464555 /nfs/dbraw/zinc/46/45/55/743464555.db2.gz CYZMIUWHRTXEHF-HNNXBMFYSA-N 1 3 332.452 0.442 20 0 ECADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001020587718 751847567 /nfs/dbraw/zinc/84/75/67/751847567.db2.gz RQNUVCFIIRYFRT-DSZLRUIBSA-N 1 3 328.432 0.310 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1)C1CC1 ZINC000997829791 743841487 /nfs/dbraw/zinc/84/14/87/743841487.db2.gz CBLBXSALTYCAQT-HZPDHXFCSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000997835819 743844416 /nfs/dbraw/zinc/84/44/16/743844416.db2.gz BOBKHVWCVRZBGP-GOEBONIOSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000997840015 743846044 /nfs/dbraw/zinc/84/60/44/743846044.db2.gz KHMSUXXIGIBOFK-CVEARBPZSA-N 1 3 338.496 0.632 20 0 ECADHO Cn1nncc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000997866965 743858789 /nfs/dbraw/zinc/85/87/89/743858789.db2.gz XNDHALHMXORJBP-MRXNPFEDSA-N 1 3 334.468 0.628 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000998084599 743969972 /nfs/dbraw/zinc/96/99/72/743969972.db2.gz DNKSGRFVODGQEF-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000998171069 744026896 /nfs/dbraw/zinc/02/68/96/744026896.db2.gz ZPXGFEOTQKLZCP-OFQRWUPVSA-N 1 3 338.496 0.630 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000998171069 744026899 /nfs/dbraw/zinc/02/68/99/744026899.db2.gz ZPXGFEOTQKLZCP-OFQRWUPVSA-N 1 3 338.496 0.630 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC000998633338 744261356 /nfs/dbraw/zinc/26/13/56/744261356.db2.gz WEUWDZZOIDDWRB-OJLVUWQFSA-N 1 3 345.447 0.542 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC000998633338 744261360 /nfs/dbraw/zinc/26/13/60/744261360.db2.gz WEUWDZZOIDDWRB-OJLVUWQFSA-N 1 3 345.447 0.542 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCN2CCNC2=O)C1)N(C)C ZINC001027461854 744604589 /nfs/dbraw/zinc/60/45/89/744604589.db2.gz QOLOWVQODQIYHX-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCN2CCNC2=O)C1)N(C)C ZINC001027461854 744604590 /nfs/dbraw/zinc/60/45/90/744604590.db2.gz QOLOWVQODQIYHX-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999406773 744680366 /nfs/dbraw/zinc/68/03/66/744680366.db2.gz RCGGFOINFMKHQY-NFOMZHRRSA-N 1 3 334.468 0.861 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999406773 744680370 /nfs/dbraw/zinc/68/03/70/744680370.db2.gz RCGGFOINFMKHQY-NFOMZHRRSA-N 1 3 334.468 0.861 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)n1 ZINC000999406142 744680421 /nfs/dbraw/zinc/68/04/21/744680421.db2.gz KPVUNRFUYJXRJX-NVPAJSRCSA-N 1 3 348.495 0.958 20 0 ECADHO COc1ccc(CNC2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000999409234 744681814 /nfs/dbraw/zinc/68/18/14/744681814.db2.gz QITZHYWXJHCVIJ-IUDNXUCKSA-N 1 3 347.463 0.906 20 0 ECADHO COc1ccc(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000999409234 744681816 /nfs/dbraw/zinc/68/18/16/744681816.db2.gz QITZHYWXJHCVIJ-IUDNXUCKSA-N 1 3 347.463 0.906 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477475 744704887 /nfs/dbraw/zinc/70/48/87/744704887.db2.gz HMTRHCMLSQFPBC-INIZCTEOSA-N 1 3 346.479 0.829 20 0 ECADHO Cc1nccnc1CNC1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999700816 744852073 /nfs/dbraw/zinc/85/20/73/744852073.db2.gz ZFHNUBJBTMIQST-UHFFFAOYSA-N 1 3 329.448 0.960 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020676008 751960212 /nfs/dbraw/zinc/96/02/12/751960212.db2.gz NKVUIEWRBSELEM-YHUYYLMFSA-N 1 3 336.480 0.765 20 0 ECADHO COc1nccc(CN[C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001020679288 751961079 /nfs/dbraw/zinc/96/10/79/751961079.db2.gz MAPRMOLOWZXYGP-WKILWMFISA-N 1 3 347.463 0.954 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000999880338 744991813 /nfs/dbraw/zinc/99/18/13/744991813.db2.gz ZTNMFDQFGBCQDZ-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000999880338 744991818 /nfs/dbraw/zinc/99/18/18/744991818.db2.gz ZTNMFDQFGBCQDZ-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC000999895862 745028487 /nfs/dbraw/zinc/02/84/87/745028487.db2.gz LVAUUBDQKXBXGS-UHFFFAOYSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000999906109 745044030 /nfs/dbraw/zinc/04/40/30/745044030.db2.gz RRQVJHKUFBBXNM-CQSZACIVSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000999906109 745044033 /nfs/dbraw/zinc/04/40/33/745044033.db2.gz RRQVJHKUFBBXNM-CQSZACIVSA-N 1 3 336.480 0.387 20 0 ECADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000983714906 745089942 /nfs/dbraw/zinc/08/99/42/745089942.db2.gz CJMRJDDICQUTFD-ANQUJSFKSA-N 1 3 348.447 0.831 20 0 ECADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000983714906 745089948 /nfs/dbraw/zinc/08/99/48/745089948.db2.gz CJMRJDDICQUTFD-ANQUJSFKSA-N 1 3 348.447 0.831 20 0 ECADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000983714911 745090678 /nfs/dbraw/zinc/09/06/78/745090678.db2.gz CJMRJDDICQUTFD-QBYUYEEZSA-N 1 3 348.447 0.831 20 0 ECADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000983714911 745090684 /nfs/dbraw/zinc/09/06/84/745090684.db2.gz CJMRJDDICQUTFD-QBYUYEEZSA-N 1 3 348.447 0.831 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccn3C)C2)C1 ZINC000999998572 745159438 /nfs/dbraw/zinc/15/94/38/745159438.db2.gz MICFFRWFRVVNRK-CVEARBPZSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029170465 745200789 /nfs/dbraw/zinc/20/07/89/745200789.db2.gz PZHJKDOULADHQZ-DZGCQCFKSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001029170465 745200798 /nfs/dbraw/zinc/20/07/98/745200798.db2.gz PZHJKDOULADHQZ-DZGCQCFKSA-N 1 3 334.468 0.484 20 0 ECADHO CCn1cc(CN[C@H](C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001029174285 745218888 /nfs/dbraw/zinc/21/88/88/745218888.db2.gz WIMJODCMZSXWPQ-ZBFHGGJFSA-N 1 3 348.495 0.966 20 0 ECADHO CCn1cc(CN[C@H](C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001029174285 745218892 /nfs/dbraw/zinc/21/88/92/745218892.db2.gz WIMJODCMZSXWPQ-ZBFHGGJFSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCCNC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029174601 745220140 /nfs/dbraw/zinc/22/01/40/745220140.db2.gz ZIPGXALOURTMEJ-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001000186613 745323051 /nfs/dbraw/zinc/32/30/51/745323051.db2.gz UHBYBEWCFZZUFV-KRWDZBQOSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001000189961 745326238 /nfs/dbraw/zinc/32/62/38/745326238.db2.gz FJFNHTZFDNDBKU-LSDHHAIUSA-N 1 3 337.468 0.077 20 0 ECADHO CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001000314470 745422939 /nfs/dbraw/zinc/42/29/39/745422939.db2.gz XLWYRDKQTUXRMQ-HNNXBMFYSA-N 1 3 330.436 0.992 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)cc1 ZINC001000467579 745523475 /nfs/dbraw/zinc/52/34/75/745523475.db2.gz RSAAIBLPUWAWHZ-IAGOWNOFSA-N 1 3 344.459 0.831 20 0 ECADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001075798645 745647985 /nfs/dbraw/zinc/64/79/85/745647985.db2.gz JIQBPDHKNMSVAU-GVDBMIGSSA-N 1 3 344.463 0.153 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)C12CCC[NH+]1CCC2 ZINC000978033884 745807708 /nfs/dbraw/zinc/80/77/08/745807708.db2.gz LPRPJDJMSXCHTH-HNNXBMFYSA-N 1 3 345.447 0.640 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000978058066 745838403 /nfs/dbraw/zinc/83/84/03/745838403.db2.gz RWZZCWMEXMERRW-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC000978069680 745875563 /nfs/dbraw/zinc/87/55/63/745875563.db2.gz PBZYWWMDRCQRFJ-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cnn(C)c4)C[C@H]32)CC[N@@H+]1C ZINC000978182432 746000954 /nfs/dbraw/zinc/00/09/54/746000954.db2.gz QPGWPDYBVQGRAD-NHMWIVBRSA-N 1 3 331.464 0.554 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cnn(C)c4)C[C@H]32)CC[N@H+]1C ZINC000978182432 746000959 /nfs/dbraw/zinc/00/09/59/746000959.db2.gz QPGWPDYBVQGRAD-NHMWIVBRSA-N 1 3 331.464 0.554 20 0 ECADHO CNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978395437 746276270 /nfs/dbraw/zinc/27/62/70/746276270.db2.gz FOWWHBKKRVIULM-TUVASFSCSA-N 1 3 334.464 0.043 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1CCn1cncn1 ZINC001087797398 746354424 /nfs/dbraw/zinc/35/44/24/746354424.db2.gz MDYNWQGDVCDJLE-OWCLPIDISA-N 1 3 334.468 0.589 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1CCn1cncn1 ZINC001087797398 746354430 /nfs/dbraw/zinc/35/44/30/746354430.db2.gz MDYNWQGDVCDJLE-OWCLPIDISA-N 1 3 334.468 0.589 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC2=CCN(C[C@@H]3CCc4ncnn43)CC2)C1 ZINC001001447482 746385558 /nfs/dbraw/zinc/38/55/58/746385558.db2.gz BYMSSGBEWJNIDK-CVEARBPZSA-N 1 3 344.463 0.465 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(C[C@@H]3CCc4ncnn43)CC2)C1 ZINC001001447482 746385565 /nfs/dbraw/zinc/38/55/65/746385565.db2.gz BYMSSGBEWJNIDK-CVEARBPZSA-N 1 3 344.463 0.465 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027649974 746550369 /nfs/dbraw/zinc/55/03/69/746550369.db2.gz XIGAKEIGGQCRBR-MRXNPFEDSA-N 1 3 348.491 0.627 20 0 ECADHO C[NH+](C)CCCC(=O)N1CC[C@@H](n2cc(CNCC3CC3)nn2)C1 ZINC001098711975 746790811 /nfs/dbraw/zinc/79/08/11/746790811.db2.gz ZXXOTEAVBCWEHZ-MRXNPFEDSA-N 1 3 334.468 0.893 20 0 ECADHO Cc1nc(C)n(CCN2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001002119642 746998950 /nfs/dbraw/zinc/99/89/50/746998950.db2.gz CIZIZSKLXFNARE-KRWDZBQOSA-N 1 3 348.495 0.675 20 0 ECADHO Cc1nc(C)n(CCN2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001002119642 746998953 /nfs/dbraw/zinc/99/89/53/746998953.db2.gz CIZIZSKLXFNARE-KRWDZBQOSA-N 1 3 348.495 0.675 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CCc1cnn(C)c1 ZINC001088577256 752147325 /nfs/dbraw/zinc/14/73/25/752147325.db2.gz JJHGHLQRFYXPRS-SRABZTEZSA-N 1 3 333.480 0.882 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CCc1cnn(C)c1 ZINC001088577256 752147328 /nfs/dbraw/zinc/14/73/28/752147328.db2.gz JJHGHLQRFYXPRS-SRABZTEZSA-N 1 3 333.480 0.882 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979054563 747095014 /nfs/dbraw/zinc/09/50/14/747095014.db2.gz VPRJRMLYHHQBFF-QSPRXWTASA-N 1 3 331.464 0.474 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979054563 747095021 /nfs/dbraw/zinc/09/50/21/747095021.db2.gz VPRJRMLYHHQBFF-QSPRXWTASA-N 1 3 331.464 0.474 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000979082699 747148014 /nfs/dbraw/zinc/14/80/14/747148014.db2.gz YDJUMWMPGJKFRH-NXOAAHMSSA-N 1 3 346.479 0.447 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000979082699 747148018 /nfs/dbraw/zinc/14/80/18/747148018.db2.gz YDJUMWMPGJKFRH-NXOAAHMSSA-N 1 3 346.479 0.447 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC000985149256 747468822 /nfs/dbraw/zinc/46/88/22/747468822.db2.gz MZQQUFNXNSHHMO-VGWMRTNUSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]([NH2+]Cc1cncn1C)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000979317481 747630269 /nfs/dbraw/zinc/63/02/69/747630269.db2.gz ORZIAXTXJVJDMW-GOEBONIOSA-N 1 3 349.479 0.610 20 0 ECADHO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001020818561 752208073 /nfs/dbraw/zinc/20/80/73/752208073.db2.gz SINUCTZFNYHQLP-SHTZXODSSA-N 1 3 334.468 0.767 20 0 ECADHO C[C@H](NCc1ccccn1)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979443043 747849830 /nfs/dbraw/zinc/84/98/30/747849830.db2.gz GYUXZWZRHOSSHG-DOTOQJQBSA-N 1 3 344.459 0.883 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001003063965 748132830 /nfs/dbraw/zinc/13/28/30/748132830.db2.gz KEORUKSTANWUQH-VNQPRFMTSA-N 1 3 347.463 0.742 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001003063965 748132832 /nfs/dbraw/zinc/13/28/32/748132832.db2.gz KEORUKSTANWUQH-VNQPRFMTSA-N 1 3 347.463 0.742 20 0 ECADHO C[NH+]1CCC(C(=O)NC2CCN(CCN3CCCC3=O)CC2)CC1 ZINC001003547174 748668738 /nfs/dbraw/zinc/66/87/38/748668738.db2.gz GNQIEDIMLYVHKO-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001003635376 748748350 /nfs/dbraw/zinc/74/83/50/748748350.db2.gz PFBLJWUAFIYXMX-RHSMWYFYSA-N 1 3 333.480 0.741 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001003635376 748748354 /nfs/dbraw/zinc/74/83/54/748748354.db2.gz PFBLJWUAFIYXMX-RHSMWYFYSA-N 1 3 333.480 0.741 20 0 ECADHO CN([C@@H]1CCN(C)C1=O)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985619322 748750843 /nfs/dbraw/zinc/75/08/43/748750843.db2.gz QFVSJSIJFVWWSQ-MRXNPFEDSA-N 1 3 336.480 0.482 20 0 ECADHO NC(=O)CN[C@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001088333229 748773683 /nfs/dbraw/zinc/77/36/83/748773683.db2.gz FAPHQIOTHVTGNW-HNNXBMFYSA-N 1 3 336.480 0.709 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1 ZINC000985652720 748807324 /nfs/dbraw/zinc/80/73/24/748807324.db2.gz HKVJPQXJQFAONL-ZBFHGGJFSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1 ZINC000985652720 748807332 /nfs/dbraw/zinc/80/73/32/748807332.db2.gz HKVJPQXJQFAONL-ZBFHGGJFSA-N 1 3 336.480 0.339 20 0 ECADHO C[N@H+](CCN1CCNC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790087 749106739 /nfs/dbraw/zinc/10/67/39/749106739.db2.gz PECWGIIAPJEVPF-UHFFFAOYSA-N 1 3 337.468 0.030 20 0 ECADHO C[N@@H+](CCN1CCNC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790087 749106743 /nfs/dbraw/zinc/10/67/43/749106743.db2.gz PECWGIIAPJEVPF-UHFFFAOYSA-N 1 3 337.468 0.030 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059688942 749466362 /nfs/dbraw/zinc/46/63/62/749466362.db2.gz LXOTWPRIDVADHY-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001059688942 749466368 /nfs/dbraw/zinc/46/63/68/749466368.db2.gz LXOTWPRIDVADHY-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO C[N@H+](C[C@@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406130 749506716 /nfs/dbraw/zinc/50/67/16/749506716.db2.gz NLAXYJHKWUHMRW-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406130 749506721 /nfs/dbraw/zinc/50/67/21/749506721.db2.gz NLAXYJHKWUHMRW-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO COc1ccc(CNCC2(CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001168136992 749509686 /nfs/dbraw/zinc/50/96/86/749509686.db2.gz KMQZQKIARBUNSZ-AWEZNQCLSA-N 1 3 347.463 0.813 20 0 ECADHO COc1ccc(CNCC2(CCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001168136992 749509693 /nfs/dbraw/zinc/50/96/93/749509693.db2.gz KMQZQKIARBUNSZ-AWEZNQCLSA-N 1 3 347.463 0.813 20 0 ECADHO COc1ccc(C[NH2+]CC2(CCNC(=O)CN3CCCC3)CC2)nn1 ZINC001168145902 749700569 /nfs/dbraw/zinc/70/05/69/749700569.db2.gz ALKKHYMWAUTLAR-UHFFFAOYSA-N 1 3 347.463 0.957 20 0 ECADHO C[C@@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986355258 749812398 /nfs/dbraw/zinc/81/23/98/749812398.db2.gz MIBDOKGNEHHPDF-RHSMWYFYSA-N 1 3 346.475 0.949 20 0 ECADHO C[C@@H]1C[C@H](CNCc2nncn2C)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000980700763 749983470 /nfs/dbraw/zinc/98/34/70/749983470.db2.gz SNTRKQSBYPHMRU-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1C[C@H](CNCc2nncn2C)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000980700763 749983474 /nfs/dbraw/zinc/98/34/74/749983474.db2.gz SNTRKQSBYPHMRU-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1C[C@H](CNCc2cn(C)nn2)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000980711834 750004981 /nfs/dbraw/zinc/00/49/81/750004981.db2.gz APNFNPQPKWWEQO-GDBMZVCRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005994223 750899795 /nfs/dbraw/zinc/89/97/95/750899795.db2.gz BPYCVXIPZAXELE-HOCLYGCPSA-N 1 3 334.468 0.399 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005994223 750899801 /nfs/dbraw/zinc/89/98/01/750899801.db2.gz BPYCVXIPZAXELE-HOCLYGCPSA-N 1 3 334.468 0.399 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006180561 751092806 /nfs/dbraw/zinc/09/28/06/751092806.db2.gz JANXMHXEMJWALX-YWPYICTPSA-N 1 3 333.436 0.256 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006180561 751092814 /nfs/dbraw/zinc/09/28/14/751092814.db2.gz JANXMHXEMJWALX-YWPYICTPSA-N 1 3 333.436 0.256 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)NC[C@H]2CCCN2CCO)[C@@H](c2ccccc2)C1 ZINC001028152148 751264387 /nfs/dbraw/zinc/26/43/87/751264387.db2.gz NVFWZBUQBFLPFA-KURKYZTESA-N 1 3 331.460 0.905 20 0 ECADHO C[N@H+]1C[C@H](C(=O)NC[C@H]2CCCN2CCO)[C@@H](c2ccccc2)C1 ZINC001028152148 751264391 /nfs/dbraw/zinc/26/43/91/751264391.db2.gz NVFWZBUQBFLPFA-KURKYZTESA-N 1 3 331.460 0.905 20 0 ECADHO CO[C@@H](C)CN1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360613 752327756 /nfs/dbraw/zinc/32/77/56/752327756.db2.gz SHZKHDJLIYAVHQ-GJZGRUSLSA-N 1 3 337.468 0.674 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001020928734 752350178 /nfs/dbraw/zinc/35/01/78/752350178.db2.gz KUXYIFBTJAMACB-MGPQQGTHSA-N 1 3 349.431 0.727 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001020928734 752350187 /nfs/dbraw/zinc/35/01/87/752350187.db2.gz KUXYIFBTJAMACB-MGPQQGTHSA-N 1 3 349.431 0.727 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982553995 752883142 /nfs/dbraw/zinc/88/31/42/752883142.db2.gz RCMVYNLZZKESTP-RGCFKVTRSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982553995 752883153 /nfs/dbraw/zinc/88/31/53/752883153.db2.gz RCMVYNLZZKESTP-RGCFKVTRSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+]([C@H]4CCNC4=O)C[C@]3(C)C2)C1 ZINC000982557987 752898533 /nfs/dbraw/zinc/89/85/33/752898533.db2.gz XBHIAQZFAUZWMW-OHQAAIJDSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+]([C@H]4CCNC4=O)C[C@]3(C)C2)C1 ZINC000982557987 752898537 /nfs/dbraw/zinc/89/85/37/752898537.db2.gz XBHIAQZFAUZWMW-OHQAAIJDSA-N 1 3 348.491 0.387 20 0 ECADHO COC1CCN(CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000080116938 753550159 /nfs/dbraw/zinc/55/01/59/753550159.db2.gz GPFKVVUVNYNIDA-ZBFHGGJFSA-N 1 3 340.468 0.260 20 0 ECADHO COC1CCN(CCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000080116938 753550166 /nfs/dbraw/zinc/55/01/66/753550166.db2.gz GPFKVVUVNYNIDA-ZBFHGGJFSA-N 1 3 340.468 0.260 20 0 ECADHO COC1CCN(CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000080116932 753550251 /nfs/dbraw/zinc/55/02/51/753550251.db2.gz GPFKVVUVNYNIDA-GDBMZVCRSA-N 1 3 340.468 0.260 20 0 ECADHO COC1CCN(CCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000080116932 753550259 /nfs/dbraw/zinc/55/02/59/753550259.db2.gz GPFKVVUVNYNIDA-GDBMZVCRSA-N 1 3 340.468 0.260 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105372599 753672159 /nfs/dbraw/zinc/67/21/59/753672159.db2.gz PFPVPMDFJGEPCW-CQSZACIVSA-N 1 3 332.452 0.503 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNCCC4CC4)nn3)C2)C1 ZINC001105372599 753672163 /nfs/dbraw/zinc/67/21/63/753672163.db2.gz PFPVPMDFJGEPCW-CQSZACIVSA-N 1 3 332.452 0.503 20 0 ECADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC(N)=O)CCC1 ZINC001105579022 753859517 /nfs/dbraw/zinc/85/95/17/753859517.db2.gz JPQVYUAZMYXCEP-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO CCn1cc(CC[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC000989493478 754027132 /nfs/dbraw/zinc/02/71/32/754027132.db2.gz UWQHWYYGDFTMOA-CZUORRHYSA-N 1 3 330.436 0.990 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001168335399 754628907 /nfs/dbraw/zinc/62/89/07/754628907.db2.gz HOUKLUHWDSRQCJ-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990279052 754936320 /nfs/dbraw/zinc/93/63/20/754936320.db2.gz UVGGUAKNRUSMKB-HNNXBMFYSA-N 1 3 334.468 0.781 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000983304388 755111515 /nfs/dbraw/zinc/11/15/15/755111515.db2.gz OTFCULJZGFJTLV-HOTGVXAUSA-N 1 3 348.491 0.389 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001060037616 755217698 /nfs/dbraw/zinc/21/76/98/755217698.db2.gz JJLNBKSUQAIYJX-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001030020908 755688011 /nfs/dbraw/zinc/68/80/11/755688011.db2.gz MLGLXJQFXZGYNP-ZMSDIMECSA-N 1 3 348.495 0.932 20 0 ECADHO Cn1nccc1CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076567620 756666340 /nfs/dbraw/zinc/66/63/40/756666340.db2.gz BZNJKHDKMYXANT-ZMSDIMECSA-N 1 3 331.464 0.447 20 0 ECADHO Cn1nccc1CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567620 756666342 /nfs/dbraw/zinc/66/63/42/756666342.db2.gz BZNJKHDKMYXANT-ZMSDIMECSA-N 1 3 331.464 0.447 20 0 ECADHO Cn1cc(CCN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cn1 ZINC001076567860 756667361 /nfs/dbraw/zinc/66/73/61/756667361.db2.gz KZGLHACVDMJRRM-GVDBMIGSSA-N 1 3 331.464 0.447 20 0 ECADHO Cn1cc(CCN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cn1 ZINC001076567860 756667366 /nfs/dbraw/zinc/66/73/66/756667366.db2.gz KZGLHACVDMJRRM-GVDBMIGSSA-N 1 3 331.464 0.447 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001048815503 757085496 /nfs/dbraw/zinc/08/54/96/757085496.db2.gz NDHWRTXOXHKNIZ-QKPAOTATSA-N 1 3 336.480 0.513 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001048815503 757085498 /nfs/dbraw/zinc/08/54/98/757085498.db2.gz NDHWRTXOXHKNIZ-QKPAOTATSA-N 1 3 336.480 0.513 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)N(C)C ZINC001011178164 757131054 /nfs/dbraw/zinc/13/10/54/757131054.db2.gz OBSGHVYBLWKKBY-JKSUJKDBSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC[N@@H+]1C ZINC001011209005 757192953 /nfs/dbraw/zinc/19/29/53/757192953.db2.gz ZPIIMGNFPWFXOH-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC[N@H+]1C ZINC001011209005 757192956 /nfs/dbraw/zinc/19/29/56/757192956.db2.gz ZPIIMGNFPWFXOH-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863631 757219613 /nfs/dbraw/zinc/21/96/13/757219613.db2.gz JEOPJNYCUZAIHQ-OJLVUWQFSA-N 1 3 336.480 0.194 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863631 757219618 /nfs/dbraw/zinc/21/96/18/757219618.db2.gz JEOPJNYCUZAIHQ-OJLVUWQFSA-N 1 3 336.480 0.194 20 0 ECADHO CN(C(=O)CN1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001048864180 757220892 /nfs/dbraw/zinc/22/08/92/757220892.db2.gz SQWVIWCBNKTRFT-RVKKMQEKSA-N 1 3 348.491 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IWTMEYJTZUMHCP-XHSDSOJGSA-N 1 3 348.491 0.339 20 0 ECADHO Cn1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)cc1=O ZINC001049082037 757911146 /nfs/dbraw/zinc/91/11/46/757911146.db2.gz BIUZLBXIJGFAMD-GASCZTMLSA-N 1 3 341.415 0.241 20 0 ECADHO Cn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)cc1=O ZINC001049082037 757911153 /nfs/dbraw/zinc/91/11/53/757911153.db2.gz BIUZLBXIJGFAMD-GASCZTMLSA-N 1 3 341.415 0.241 20 0 ECADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996561467 758050849 /nfs/dbraw/zinc/05/08/49/758050849.db2.gz PKPLEXCQQYJSRH-INIZCTEOSA-N 1 3 331.464 0.843 20 0 ECADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001051653843 762599068 /nfs/dbraw/zinc/59/90/68/762599068.db2.gz ALFYYMRBUKGNPV-INIZCTEOSA-N 1 3 335.452 0.221 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+]Cc3cccnc3)C2)CCC1 ZINC001051654110 762599931 /nfs/dbraw/zinc/59/99/31/762599931.db2.gz HMPBPYPZSGOIDR-MRXNPFEDSA-N 1 3 332.448 0.883 20 0 ECADHO CN(CC(=O)N1CCO[C@H](C[NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001051654912 762604997 /nfs/dbraw/zinc/60/49/97/762604997.db2.gz WOSMZFNHUHTGJU-MRXNPFEDSA-N 1 3 335.452 0.221 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CCO1 ZINC001051655304 762605953 /nfs/dbraw/zinc/60/59/53/762605953.db2.gz ZQLAPXHUSYXKGF-IRXDYDNUSA-N 1 3 349.479 0.386 20 0 ECADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCOC2)C1)C1CCC1 ZINC001051655589 762606922 /nfs/dbraw/zinc/60/69/22/762606922.db2.gz MDLIVIYJJFTENL-HOCLYGCPSA-N 1 3 325.453 0.324 20 0 ECADHO Cn1cc(CN2C[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)cn1 ZINC001049170654 758209358 /nfs/dbraw/zinc/20/93/58/758209358.db2.gz AYNYSTQDPWLEQA-BHYGNILZSA-N 1 3 331.464 0.652 20 0 ECADHO Cn1cc(CN2C[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)cn1 ZINC001049170654 758209366 /nfs/dbraw/zinc/20/93/66/758209366.db2.gz AYNYSTQDPWLEQA-BHYGNILZSA-N 1 3 331.464 0.652 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022077536 758241853 /nfs/dbraw/zinc/24/18/53/758241853.db2.gz QJHRRJBBYCAQOZ-CAOSSQGBSA-N 1 3 346.479 0.909 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001022077536 758241859 /nfs/dbraw/zinc/24/18/59/758241859.db2.gz QJHRRJBBYCAQOZ-CAOSSQGBSA-N 1 3 346.479 0.909 20 0 ECADHO Cc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)C2)c1 ZINC001022119639 758301312 /nfs/dbraw/zinc/30/13/12/758301312.db2.gz GBVJTSOYHDGYNI-XDNAFOTISA-N 1 3 344.459 0.990 20 0 ECADHO COc1cncc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)n1 ZINC000996678381 758449961 /nfs/dbraw/zinc/44/99/61/758449961.db2.gz NDWIZYDOZCXYMU-KRWDZBQOSA-N 1 3 347.463 0.906 20 0 ECADHO Cc1nsc(C)c1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780428 758659354 /nfs/dbraw/zinc/65/93/54/758659354.db2.gz YVEAACLLNRVZPB-HIFRSBDPSA-N 1 3 338.477 0.829 20 0 ECADHO Cc1nsc(C)c1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780428 758659360 /nfs/dbraw/zinc/65/93/60/758659360.db2.gz YVEAACLLNRVZPB-HIFRSBDPSA-N 1 3 338.477 0.829 20 0 ECADHO O=C(N[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308962 758766887 /nfs/dbraw/zinc/76/68/87/758766887.db2.gz UOYYVTQOTJEDOG-GVDBMIGSSA-N 1 3 344.415 0.678 20 0 ECADHO C[C@H](NCc1ncnn1C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047974982 759760327 /nfs/dbraw/zinc/76/03/27/759760327.db2.gz HCSOYSSGMWVZGQ-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1ncnn1C)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047974982 759760332 /nfs/dbraw/zinc/76/03/32/759760332.db2.gz HCSOYSSGMWVZGQ-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1nccn1C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048040408 759870952 /nfs/dbraw/zinc/87/09/52/759870952.db2.gz SJYJJQMNGJNJGP-CABCVRRESA-N 1 3 331.464 0.843 20 0 ECADHO C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063717 759904810 /nfs/dbraw/zinc/90/48/10/759904810.db2.gz FPWOTUVARNZIIG-RDJZCZTQSA-N 1 3 346.475 0.808 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001054298430 767907600 /nfs/dbraw/zinc/90/76/00/767907600.db2.gz PZKHIYUZXIDLFX-XHSDSOJGSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050237535 760025035 /nfs/dbraw/zinc/02/50/35/760025035.db2.gz SBPHOMXVXJLCIW-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001048278568 760207320 /nfs/dbraw/zinc/20/73/20/760207320.db2.gz YUJMZFSHVABVQN-HUUCEWRRSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001048279168 760208837 /nfs/dbraw/zinc/20/88/37/760208837.db2.gz GZPPSJYAGCLEFR-KGLIPLIRSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H](NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1nnnn1C ZINC001050390069 760219869 /nfs/dbraw/zinc/21/98/69/760219869.db2.gz LGFOQJSIBDFJNC-KBUPBQIOSA-N 1 3 349.483 0.487 20 0 ECADHO C[C@@H](NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1nnnn1C ZINC001050390069 760219879 /nfs/dbraw/zinc/21/98/79/760219879.db2.gz LGFOQJSIBDFJNC-KBUPBQIOSA-N 1 3 349.483 0.487 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNCc1nncn1C ZINC001048437508 760527147 /nfs/dbraw/zinc/52/71/47/760527147.db2.gz CSWHXZCAMJGGOS-KBPBESRZSA-N 1 3 332.452 0.095 20 0 ECADHO CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655002 760641497 /nfs/dbraw/zinc/64/14/97/760641497.db2.gz QFOLVQQPVCRFDU-OWQJAQGESA-N 1 3 337.464 0.057 20 0 ECADHO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655002 760641502 /nfs/dbraw/zinc/64/15/02/760641502.db2.gz QFOLVQQPVCRFDU-OWQJAQGESA-N 1 3 337.464 0.057 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001050732205 760749905 /nfs/dbraw/zinc/74/99/05/760749905.db2.gz LRFRPASSPPCQTI-UHFFFAOYSA-N 1 3 331.420 0.171 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050773246 760820311 /nfs/dbraw/zinc/82/03/11/760820311.db2.gz QDXOAJYBCPKPOC-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050773246 760820319 /nfs/dbraw/zinc/82/03/19/760820319.db2.gz QDXOAJYBCPKPOC-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000991421796 760842117 /nfs/dbraw/zinc/84/21/17/760842117.db2.gz QXKNNPJUGISSGP-HOTGVXAUSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000991421796 760842128 /nfs/dbraw/zinc/84/21/28/760842128.db2.gz QXKNNPJUGISSGP-HOTGVXAUSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCN2CCCC2=O)C(C)(C)C1)N(C)C ZINC000995955006 760858025 /nfs/dbraw/zinc/85/80/25/760858025.db2.gz ZKQMIZMGYJDTJL-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127081841 761008120 /nfs/dbraw/zinc/00/81/20/761008120.db2.gz DIHXTZBNYRHGFZ-HUUCEWRRSA-N 1 3 342.484 0.106 20 0 ECADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127081841 761008131 /nfs/dbraw/zinc/00/81/31/761008131.db2.gz DIHXTZBNYRHGFZ-HUUCEWRRSA-N 1 3 342.484 0.106 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000991477630 761126065 /nfs/dbraw/zinc/12/60/65/761126065.db2.gz HIRKOVJXMMXTFR-GDBMZVCRSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000991477630 761126071 /nfs/dbraw/zinc/12/60/71/761126071.db2.gz HIRKOVJXMMXTFR-GDBMZVCRSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCOCCO ZINC001106250266 768017389 /nfs/dbraw/zinc/01/73/89/768017389.db2.gz ZZBZQSHCXHXYDH-FVQBIDKESA-N 1 3 327.469 0.020 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2O)C1 ZINC001083725734 768039619 /nfs/dbraw/zinc/03/96/19/768039619.db2.gz MXLVORLHUSBDMS-SQNIBIBYSA-N 1 3 347.459 0.457 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2O)C1 ZINC001083725734 768039622 /nfs/dbraw/zinc/03/96/22/768039622.db2.gz MXLVORLHUSBDMS-SQNIBIBYSA-N 1 3 347.459 0.457 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](CNCc3ccnn3C)C2)CC[N@@H+]1C ZINC001051787457 762959613 /nfs/dbraw/zinc/95/96/13/762959613.db2.gz UXCBTNHUELBNJT-YQQAZPJKSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](CNCc3ccnn3C)C2)CC[N@H+]1C ZINC001051787457 762959618 /nfs/dbraw/zinc/95/96/18/762959618.db2.gz UXCBTNHUELBNJT-YQQAZPJKSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC001127659815 763142247 /nfs/dbraw/zinc/14/22/47/763142247.db2.gz MBHWVICVQVUJBD-RHSMWYFYSA-N 1 3 346.475 0.934 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCc2cccc(C(=O)N(C)C)c2)CC[N@H+]1C ZINC001127659815 763142252 /nfs/dbraw/zinc/14/22/52/763142252.db2.gz MBHWVICVQVUJBD-RHSMWYFYSA-N 1 3 346.475 0.934 20 0 ECADHO Cc1ccncc1CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904105 763287684 /nfs/dbraw/zinc/28/76/84/763287684.db2.gz APEPPULZFSIUBD-QGZVFWFLSA-N 1 3 344.459 0.803 20 0 ECADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001046892043 763317289 /nfs/dbraw/zinc/31/72/89/763317289.db2.gz KUOGUVJQJAAGIA-QAPCUYQASA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046904890 763354295 /nfs/dbraw/zinc/35/42/95/763354295.db2.gz XEWNDVCGTUXAFU-YOEHRIQHSA-N 1 3 333.436 0.401 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106309492 768133625 /nfs/dbraw/zinc/13/36/25/768133625.db2.gz VBJZCKCATWQNAA-MGPQQGTHSA-N 1 3 333.498 0.055 20 0 ECADHO C[C@H](O)CN1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968390 763484950 /nfs/dbraw/zinc/48/49/50/763484950.db2.gz FTIDKLLCDIOIRG-GXTWGEPZSA-N 1 3 333.423 0.782 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC001106340356 768164890 /nfs/dbraw/zinc/16/48/90/768164890.db2.gz UABXRCRLMBUCEA-QLFBSQMISA-N 1 3 340.512 0.878 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001054734423 768206762 /nfs/dbraw/zinc/20/67/62/768206762.db2.gz ANBOCQZGIRVBRC-PBHICJAKSA-N 1 3 346.475 0.806 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C)n1 ZINC001054734725 768207709 /nfs/dbraw/zinc/20/77/09/768207709.db2.gz CWKNPOKDJQDPNO-SUMWQHHRSA-N 1 3 348.495 0.816 20 0 ECADHO O=C(N[C@H]1CC[N@H+](CC2CCOCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015326179 764375319 /nfs/dbraw/zinc/37/53/19/764375319.db2.gz YGIMDYRFNMSVAT-DHADLLTHSA-N 1 3 349.475 0.467 20 0 ECADHO O=C(N[C@H]1CC[N@@H+](CC2CCOCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015326179 764375324 /nfs/dbraw/zinc/37/53/24/764375324.db2.gz YGIMDYRFNMSVAT-DHADLLTHSA-N 1 3 349.475 0.467 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC001054741123 768217853 /nfs/dbraw/zinc/21/78/53/768217853.db2.gz XXXVNJOZUSJMQA-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCc1cnn(C)c1 ZINC001088983919 764700182 /nfs/dbraw/zinc/70/01/82/764700182.db2.gz WFOPMUGMGGOJJC-ZBFHGGJFSA-N 1 3 331.464 0.637 20 0 ECADHO O=C(N[C@H]1CCC[N@@H+](CCCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001052570445 764776092 /nfs/dbraw/zinc/77/60/92/764776092.db2.gz AUSINPJJXZCQIF-LPMVOBIJSA-N 1 3 337.464 0.203 20 0 ECADHO O=C(N[C@H]1CCC[N@H+](CCCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001052570445 764776099 /nfs/dbraw/zinc/77/60/99/764776099.db2.gz AUSINPJJXZCQIF-LPMVOBIJSA-N 1 3 337.464 0.203 20 0 ECADHO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573130 764782049 /nfs/dbraw/zinc/78/20/49/764782049.db2.gz UCTCDIUUHZYDGB-LPMVOBIJSA-N 1 3 337.464 0.467 20 0 ECADHO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573130 764782057 /nfs/dbraw/zinc/78/20/57/764782057.db2.gz UCTCDIUUHZYDGB-LPMVOBIJSA-N 1 3 337.464 0.467 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000992009929 765144393 /nfs/dbraw/zinc/14/43/93/765144393.db2.gz OKLDRALOWCSXAD-LSDHHAIUSA-N 1 3 331.420 0.296 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000992009929 765144401 /nfs/dbraw/zinc/14/44/01/765144401.db2.gz OKLDRALOWCSXAD-LSDHHAIUSA-N 1 3 331.420 0.296 20 0 ECADHO Cc1nc(CN[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C)n[nH]1 ZINC001054790906 768278166 /nfs/dbraw/zinc/27/81/66/768278166.db2.gz LYGCTMGYWVXFQH-HIFRSBDPSA-N 1 3 346.479 0.926 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001015794440 765331778 /nfs/dbraw/zinc/33/17/78/765331778.db2.gz GTGGPDIYHWKIEW-DLBZAZTESA-N 1 3 349.479 0.166 20 0 ECADHO C[C@@H](F)CCN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826195 765389698 /nfs/dbraw/zinc/38/96/98/765389698.db2.gz BUVDLCKHCLWHJV-UKRRQHHQSA-N 1 3 325.432 0.997 20 0 ECADHO CO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCO)CC1 ZINC001052986254 765462359 /nfs/dbraw/zinc/46/23/59/765462359.db2.gz JSSMEYGGELJYAX-OIISXLGYSA-N 1 3 339.480 0.543 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001077496721 765668932 /nfs/dbraw/zinc/66/89/32/765668932.db2.gz FZCUQLDMVFPUSO-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077496721 765668937 /nfs/dbraw/zinc/66/89/37/765668937.db2.gz FZCUQLDMVFPUSO-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001077496864 765671995 /nfs/dbraw/zinc/67/19/95/765671995.db2.gz KEDJTUUKXBFLCO-RRFJBIMHSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001077496864 765671998 /nfs/dbraw/zinc/67/19/98/765671998.db2.gz KEDJTUUKXBFLCO-RRFJBIMHSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001053291042 765919392 /nfs/dbraw/zinc/91/93/92/765919392.db2.gz YFZHBDHUHNCHCX-HZPDHXFCSA-N 1 3 340.512 0.881 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001031665960 766388369 /nfs/dbraw/zinc/38/83/69/766388369.db2.gz JTCJNHLHHVARQS-HOTGVXAUSA-N 1 3 346.479 0.686 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001031665960 766388376 /nfs/dbraw/zinc/38/83/76/766388376.db2.gz JTCJNHLHHVARQS-HOTGVXAUSA-N 1 3 346.479 0.686 20 0 ECADHO O=C(NCC1CN(CC2CC(F)(F)C2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688326 766467118 /nfs/dbraw/zinc/46/71/18/766467118.db2.gz CWYYFPOEXAAFRN-CABCVRRESA-N 1 3 343.418 0.943 20 0 ECADHO O=C(NCC1CN(CC2CC(F)(F)C2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688326 766467122 /nfs/dbraw/zinc/46/71/22/766467122.db2.gz CWYYFPOEXAAFRN-CABCVRRESA-N 1 3 343.418 0.943 20 0 ECADHO COCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046036683 766727870 /nfs/dbraw/zinc/72/78/70/766727870.db2.gz DXXLXLMOTOGWNL-IRXDYDNUSA-N 1 3 340.512 0.438 20 0 ECADHO COCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046036683 766727876 /nfs/dbraw/zinc/72/78/76/766727876.db2.gz DXXLXLMOTOGWNL-IRXDYDNUSA-N 1 3 340.512 0.438 20 0 ECADHO NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn3cncc3c2)CC1 ZINC001016707830 766768222 /nfs/dbraw/zinc/76/82/22/766768222.db2.gz BHJYBIUAUMKQQK-AWEZNQCLSA-N 1 3 327.388 0.404 20 0 ECADHO NC(=O)CN1CCC2(C[C@@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016707830 766768228 /nfs/dbraw/zinc/76/82/28/766768228.db2.gz BHJYBIUAUMKQQK-AWEZNQCLSA-N 1 3 327.388 0.404 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001046065581 766849137 /nfs/dbraw/zinc/84/91/37/766849137.db2.gz BBHGKFPPRLUUHQ-KRWDZBQOSA-N 1 3 331.464 0.971 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001046065581 766849144 /nfs/dbraw/zinc/84/91/44/766849144.db2.gz BBHGKFPPRLUUHQ-KRWDZBQOSA-N 1 3 331.464 0.971 20 0 ECADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](CNCc2cn(C)nn2)[C@H](C)C1 ZINC001106905330 766939711 /nfs/dbraw/zinc/93/97/11/766939711.db2.gz KPFLXBZNJZXCGV-HUUCEWRRSA-N 1 3 336.484 0.731 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNCc2cn(C)nn2)[C@H](C)C1 ZINC001106905330 766939718 /nfs/dbraw/zinc/93/97/18/766939718.db2.gz KPFLXBZNJZXCGV-HUUCEWRRSA-N 1 3 336.484 0.731 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016808367 766963886 /nfs/dbraw/zinc/96/38/86/766963886.db2.gz RFZGCKPPINQXPO-ZFWWWQNUSA-N 1 3 336.480 0.433 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CC23CCN([C@H]2CCCNC2=O)CC3)CC1 ZINC001016809602 766965992 /nfs/dbraw/zinc/96/59/92/766965992.db2.gz ZEUBELGIVILGIG-HOTGVXAUSA-N 1 3 348.491 0.578 20 0 ECADHO CC(C)CNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780073 766989429 /nfs/dbraw/zinc/98/94/29/766989429.db2.gz QIUZMURRWGUZAZ-GDBMZVCRSA-N 1 3 334.468 0.749 20 0 ECADHO CC(C)CNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780073 766989436 /nfs/dbraw/zinc/98/94/36/766989436.db2.gz QIUZMURRWGUZAZ-GDBMZVCRSA-N 1 3 334.468 0.749 20 0 ECADHO CN(CC(=O)N1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000938717426 767083974 /nfs/dbraw/zinc/08/39/74/767083974.db2.gz RHVFVAUMFAXSKM-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000938717426 767083982 /nfs/dbraw/zinc/08/39/82/767083982.db2.gz RHVFVAUMFAXSKM-HOCLYGCPSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccco1 ZINC001127643591 767389849 /nfs/dbraw/zinc/38/98/49/767389849.db2.gz BZCZLRKFQXJATB-MGPQQGTHSA-N 1 3 336.436 0.503 20 0 ECADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccco1 ZINC001127643591 767389859 /nfs/dbraw/zinc/38/98/59/767389859.db2.gz BZCZLRKFQXJATB-MGPQQGTHSA-N 1 3 336.436 0.503 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC001060463731 767473606 /nfs/dbraw/zinc/47/36/06/767473606.db2.gz FXMQVYDWIMNCIL-IIAWOOMASA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC001060463731 767473612 /nfs/dbraw/zinc/47/36/12/767473612.db2.gz FXMQVYDWIMNCIL-IIAWOOMASA-N 1 3 347.463 0.647 20 0 ECADHO CN(C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCCNC1=O ZINC001017250700 767769634 /nfs/dbraw/zinc/76/96/34/767769634.db2.gz IBBRMWBKIVXYHC-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN2CCCC2)C1)[C@H]1CCCNC1=O ZINC001017259053 767780833 /nfs/dbraw/zinc/78/08/33/767780833.db2.gz BKKWKLGFTGJREU-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN2CCCC2)C1)[C@H]1CCCNC1=O ZINC001017259053 767780839 /nfs/dbraw/zinc/78/08/39/767780839.db2.gz BKKWKLGFTGJREU-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC1 ZINC001127357146 768470742 /nfs/dbraw/zinc/47/07/42/768470742.db2.gz SWRNFFFDPUYYSD-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO O=C(CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC1 ZINC001127357146 768470749 /nfs/dbraw/zinc/47/07/49/768470749.db2.gz SWRNFFFDPUYYSD-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1)N(C)C ZINC001106673147 768588045 /nfs/dbraw/zinc/58/80/45/768588045.db2.gz FHLDMTKKZZKNTF-OAGGEKHMSA-N 1 3 329.485 0.674 20 0 ECADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(N)=O ZINC001106673311 768588239 /nfs/dbraw/zinc/58/82/39/768588239.db2.gz VESSOEHGMVIQQJ-RBSFLKMASA-N 1 3 340.512 0.912 20 0 ECADHO CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704903 768693165 /nfs/dbraw/zinc/69/31/65/768693165.db2.gz ICTOSBTWGIOTEF-HZSPNIEDSA-N 1 3 335.452 0.551 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055344816 768802329 /nfs/dbraw/zinc/80/23/29/768802329.db2.gz DXOYONQKWPVQSZ-HRCADAONSA-N 1 3 336.480 0.197 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055344816 768802337 /nfs/dbraw/zinc/80/23/37/768802337.db2.gz DXOYONQKWPVQSZ-HRCADAONSA-N 1 3 336.480 0.197 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000993870967 769820063 /nfs/dbraw/zinc/82/00/63/769820063.db2.gz UIMRXBDCAWCRLL-CVEARBPZSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000993870971 769822614 /nfs/dbraw/zinc/82/26/14/769822614.db2.gz UIMRXBDCAWCRLL-HOTGVXAUSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001078395505 782858651 /nfs/dbraw/zinc/85/86/51/782858651.db2.gz GVHRZPKLRKXNBF-GOEBONIOSA-N 1 3 328.501 0.925 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001078395505 782858654 /nfs/dbraw/zinc/85/86/54/782858654.db2.gz GVHRZPKLRKXNBF-GOEBONIOSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001078405414 782885481 /nfs/dbraw/zinc/88/54/81/782885481.db2.gz MOXIUPOKMNMFHT-HYVNUMGLSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001078405414 782885486 /nfs/dbraw/zinc/88/54/86/782885486.db2.gz MOXIUPOKMNMFHT-HYVNUMGLSA-N 1 3 349.479 0.467 20 0 ECADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001127473654 771303348 /nfs/dbraw/zinc/30/33/48/771303348.db2.gz BMNLAXAFSIEEIY-GOEBONIOSA-N 1 3 336.480 0.293 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056546642 771371260 /nfs/dbraw/zinc/37/12/60/771371260.db2.gz XRPMOCGTLYVKKI-OWCLPIDISA-N 1 3 338.496 0.870 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001019774766 771783759 /nfs/dbraw/zinc/78/37/59/771783759.db2.gz HRBVOEFNMWMAAI-GOEBONIOSA-N 1 3 334.464 0.426 20 0 ECADHO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)o1 ZINC001019780441 771790696 /nfs/dbraw/zinc/79/06/96/771790696.db2.gz VAWFRNYPDLMRID-ZFWWWQNUSA-N 1 3 336.436 0.642 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001020286242 772399979 /nfs/dbraw/zinc/39/99/79/772399979.db2.gz YAIWQZBPAJETTD-SHTZXODSSA-N 1 3 346.479 0.911 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001078472962 783018822 /nfs/dbraw/zinc/01/88/22/783018822.db2.gz MCKSUXGAOYRENM-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001078472962 783018828 /nfs/dbraw/zinc/01/88/28/783018828.db2.gz MCKSUXGAOYRENM-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C)N(C)C ZINC001020368465 772500867 /nfs/dbraw/zinc/50/08/67/772500867.db2.gz MXKHFIZGNBKDIA-CWRNSKLLSA-N 1 3 338.496 0.774 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020407038 772550982 /nfs/dbraw/zinc/55/09/82/772550982.db2.gz LHEFNCLOWWUPPH-DSRSWSHVSA-N 1 3 349.475 0.656 20 0 ECADHO CC[C@@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001040641628 783161453 /nfs/dbraw/zinc/16/14/53/783161453.db2.gz SFQNHVQAVQYOHL-LSDHHAIUSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044863073 774685855 /nfs/dbraw/zinc/68/58/55/774685855.db2.gz PJVKDOYMWUEVBY-XJKSGUPXSA-N 1 3 332.448 0.816 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045060911 774916207 /nfs/dbraw/zinc/91/62/07/774916207.db2.gz OIRYGHKMDVWGOP-GOEBONIOSA-N 1 3 334.468 0.770 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045060911 774916211 /nfs/dbraw/zinc/91/62/11/774916211.db2.gz OIRYGHKMDVWGOP-GOEBONIOSA-N 1 3 334.468 0.770 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001045217840 775163624 /nfs/dbraw/zinc/16/36/24/775163624.db2.gz ATGSPJXHJZYZSM-HIFRSBDPSA-N 1 3 333.436 0.449 20 0 ECADHO Cn1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)cc1=O ZINC001045218231 775164340 /nfs/dbraw/zinc/16/43/40/775164340.db2.gz LQGQAIYUEBIMLK-HNNXBMFYSA-N 1 3 329.404 0.432 20 0 ECADHO CN1CCC[C@@H](N2CCC(C)(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001045639794 775946673 /nfs/dbraw/zinc/94/66/73/775946673.db2.gz RUONAYFVZDCIPL-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H](N2CCC(C)(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001045639794 775946684 /nfs/dbraw/zinc/94/66/84/775946684.db2.gz RUONAYFVZDCIPL-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080016735 777236643 /nfs/dbraw/zinc/23/66/43/777236643.db2.gz NKKPVWRXOTXITB-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080016735 777236648 /nfs/dbraw/zinc/23/66/48/777236648.db2.gz NKKPVWRXOTXITB-GDBMZVCRSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080144146 777461895 /nfs/dbraw/zinc/46/18/95/777461895.db2.gz PYQIYIAXLQPAHY-UHFFFAOYSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080378856 777768532 /nfs/dbraw/zinc/76/85/32/777768532.db2.gz ATKPWBHYALLQGD-OAHLLOKOSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001080533342 777973482 /nfs/dbraw/zinc/97/34/82/777973482.db2.gz ARACSWGOKORMPV-OAHLLOKOSA-N 1 3 326.485 0.728 20 0 ECADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001080533342 777973488 /nfs/dbraw/zinc/97/34/88/777973488.db2.gz ARACSWGOKORMPV-OAHLLOKOSA-N 1 3 326.485 0.728 20 0 ECADHO CCN(C(=O)C[N@@H+]1CCC[C@H]1C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080554668 778012546 /nfs/dbraw/zinc/01/25/46/778012546.db2.gz AHTIXCKRPLWUFT-GDBMZVCRSA-N 1 3 336.480 0.624 20 0 ECADHO CCN(C(=O)C[N@H+]1CCC[C@H]1C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080554668 778012553 /nfs/dbraw/zinc/01/25/53/778012553.db2.gz AHTIXCKRPLWUFT-GDBMZVCRSA-N 1 3 336.480 0.624 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001080558025 778025857 /nfs/dbraw/zinc/02/58/57/778025857.db2.gz KJRNCQDPGFVXMG-HOCLYGCPSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001080558025 778025868 /nfs/dbraw/zinc/02/58/68/778025868.db2.gz KJRNCQDPGFVXMG-HOCLYGCPSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)CN1CCC(C)(C)C1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080563579 778048713 /nfs/dbraw/zinc/04/87/13/778048713.db2.gz ADPHXZHGSHOWCA-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001079495429 781184637 /nfs/dbraw/zinc/18/46/37/781184637.db2.gz JSGVXVLZBFFBHI-HNNXBMFYSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079495429 781184641 /nfs/dbraw/zinc/18/46/41/781184641.db2.gz JSGVXVLZBFFBHI-HNNXBMFYSA-N 1 3 338.496 0.870 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077664242 781457103 /nfs/dbraw/zinc/45/71/03/781457103.db2.gz VDVHFSXMPZNKOP-GOEBONIOSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001040849674 783557091 /nfs/dbraw/zinc/55/70/91/783557091.db2.gz SUBCDRVYFMWOGV-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001040849674 783557096 /nfs/dbraw/zinc/55/70/96/783557096.db2.gz SUBCDRVYFMWOGV-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001070204795 783652442 /nfs/dbraw/zinc/65/24/42/783652442.db2.gz SPMYNKBDYUQQBP-PMPSAXMXSA-N 1 3 334.468 0.902 20 0 ECADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001037933467 783710603 /nfs/dbraw/zinc/71/06/03/783710603.db2.gz LUABQVTYPIJTQU-DZGCQCFKSA-N 1 3 333.436 0.401 20 0 ECADHO CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1NCc1nncn1C ZINC001037962251 783737646 /nfs/dbraw/zinc/73/76/46/783737646.db2.gz VZVVZSJSNPASEZ-LSDHHAIUSA-N 1 3 346.479 0.628 20 0 ECADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001070557095 784272112 /nfs/dbraw/zinc/27/21/12/784272112.db2.gz ZDKGDCXYSNGZCD-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001070557095 784272117 /nfs/dbraw/zinc/27/21/17/784272117.db2.gz ZDKGDCXYSNGZCD-CABCVRRESA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001071051058 784482107 /nfs/dbraw/zinc/48/21/07/784482107.db2.gz ZORLCBCVSVJODL-GDBMZVCRSA-N 1 3 326.485 0.632 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001071054120 784490110 /nfs/dbraw/zinc/49/01/10/784490110.db2.gz ZRPPEAZBUZFUDO-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCCF)CC2)C1 ZINC001071103884 784541205 /nfs/dbraw/zinc/54/12/05/784541205.db2.gz DUJYTQQBYBGNPN-XHSDSOJGSA-N 1 3 327.444 0.893 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCCF)CC2)C1 ZINC001071103884 784541215 /nfs/dbraw/zinc/54/12/15/784541215.db2.gz DUJYTQQBYBGNPN-XHSDSOJGSA-N 1 3 327.444 0.893 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001070767550 784671086 /nfs/dbraw/zinc/67/10/86/784671086.db2.gz BNUQXBGLUVAJEA-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO COCCN1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071228558 784788186 /nfs/dbraw/zinc/78/81/86/784788186.db2.gz WOKRFPNSLDGRGQ-CRAIPNDOSA-N 1 3 337.464 0.420 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001070890021 784796104 /nfs/dbraw/zinc/79/61/04/784796104.db2.gz QUCINBJIYYCWOC-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001070890021 784796108 /nfs/dbraw/zinc/79/61/08/784796108.db2.gz QUCINBJIYYCWOC-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001071322486 784950168 /nfs/dbraw/zinc/95/01/68/784950168.db2.gz GTCOCAXFRAWHJZ-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001071322486 784950173 /nfs/dbraw/zinc/95/01/73/784950173.db2.gz GTCOCAXFRAWHJZ-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001071323299 784952050 /nfs/dbraw/zinc/95/20/50/784952050.db2.gz FGYAHGSREKTPKI-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001071323299 784952053 /nfs/dbraw/zinc/95/20/53/784952053.db2.gz FGYAHGSREKTPKI-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNCc1cn(C)nn1 ZINC001072355984 786071355 /nfs/dbraw/zinc/07/13/55/786071355.db2.gz DKSRKBUBOUOMAQ-ZBFHGGJFSA-N 1 3 348.495 0.731 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001072480272 786250545 /nfs/dbraw/zinc/25/05/45/786250545.db2.gz BRACODSMWUSIOP-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001072480272 786250550 /nfs/dbraw/zinc/25/05/50/786250550.db2.gz BRACODSMWUSIOP-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1NC(=O)CC[NH+](C)C ZINC001074197573 786426658 /nfs/dbraw/zinc/42/66/58/786426658.db2.gz FNPKTXNRXVNQDO-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](O)CN1CCCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073651867 786876308 /nfs/dbraw/zinc/87/63/08/786876308.db2.gz JCUILJLQJVUZKC-HZPDHXFCSA-N 1 3 339.480 0.450 20 0 ECADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001074654768 787515944 /nfs/dbraw/zinc/51/59/44/787515944.db2.gz CCHQFUHVXDCESU-JQFCIGGWSA-N 1 3 331.464 0.841 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)CCN1C(=O)CN(C)C1CCC1 ZINC001074687835 787599202 /nfs/dbraw/zinc/59/92/02/787599202.db2.gz WFCVLUPJEKVEIJ-CWRNSKLLSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)[C@@H]1C)N(C)C ZINC001074710873 787658244 /nfs/dbraw/zinc/65/82/44/787658244.db2.gz IXCXOIXNVQLVRJ-CWRNSKLLSA-N 1 3 334.464 0.805 20 0 ECADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072756198 788728586 /nfs/dbraw/zinc/72/85/86/788728586.db2.gz MSUZOEMWZFPDBM-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001075031347 788754883 /nfs/dbraw/zinc/75/48/83/788754883.db2.gz FQWBQMYYJLKGKS-GJZGRUSLSA-N 1 3 326.485 0.774 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001072801357 788831688 /nfs/dbraw/zinc/83/16/88/788831688.db2.gz QGNPPUXXLOZFGL-HOCLYGCPSA-N 1 3 347.463 0.791 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)[C@H](C4CC4)[NH+](C)C)C3)C2)C1=O ZINC001072815214 788870716 /nfs/dbraw/zinc/87/07/16/788870716.db2.gz UFFWCADYSNSTTI-CVEARBPZSA-N 1 3 348.491 0.482 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)Cn1cccn1)C2)N(C)C ZINC001072851120 788960491 /nfs/dbraw/zinc/96/04/91/788960491.db2.gz KVGWBCMXJVEPJS-HZPDHXFCSA-N 1 3 349.479 0.119 20 0 ECADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)Cn1cccn1)C2)N(C)C ZINC001072851120 788960502 /nfs/dbraw/zinc/96/05/02/788960502.db2.gz KVGWBCMXJVEPJS-HZPDHXFCSA-N 1 3 349.479 0.119 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001075155646 788993614 /nfs/dbraw/zinc/99/36/14/788993614.db2.gz LIZYFEUXTRWEDE-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001067830431 792336082 /nfs/dbraw/zinc/33/60/82/792336082.db2.gz WLUQOHFAOGZJGJ-HOTGVXAUSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001067830431 792336093 /nfs/dbraw/zinc/33/60/93/792336093.db2.gz WLUQOHFAOGZJGJ-HOTGVXAUSA-N 1 3 340.512 0.975 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001067877822 792410849 /nfs/dbraw/zinc/41/08/49/792410849.db2.gz YNUFWRDLEDNKMQ-HZPDHXFCSA-N 1 3 340.512 0.833 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001067877822 792410856 /nfs/dbraw/zinc/41/08/56/792410856.db2.gz YNUFWRDLEDNKMQ-HZPDHXFCSA-N 1 3 340.512 0.833 20 0 ECADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001067009066 792564922 /nfs/dbraw/zinc/56/49/22/792564922.db2.gz IAUXAKGRJUXPNR-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001067009066 792564931 /nfs/dbraw/zinc/56/49/31/792564931.db2.gz IAUXAKGRJUXPNR-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001067009351 792564972 /nfs/dbraw/zinc/56/49/72/792564972.db2.gz QVTITYUPSLLYLA-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001067009351 792564980 /nfs/dbraw/zinc/56/49/80/792564980.db2.gz QVTITYUPSLLYLA-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001067010646 792572996 /nfs/dbraw/zinc/57/29/96/792572996.db2.gz RSHLODKTBINUOR-CVEARBPZSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001068082005 792649849 /nfs/dbraw/zinc/64/98/49/792649849.db2.gz YQQFOKDMSSPZLI-OAHLLOKOSA-N 1 3 326.485 0.587 20 0 ECADHO CC[C@H]1CCCCN1C(=O)CNCCN(C)C(=O)CC[NH+](C)C ZINC001267424107 837396938 /nfs/dbraw/zinc/39/69/38/837396938.db2.gz DBLVKZIDOLIHGX-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CN(CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(=O)Cc1c[nH]cn1 ZINC001408633832 837598290 /nfs/dbraw/zinc/59/82/90/837598290.db2.gz YPORGCPFPHPBBQ-HIFRSBDPSA-N 1 3 335.452 0.647 20 0 ECADHO CC(C)N(CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC(N)=O ZINC001267510490 837602146 /nfs/dbraw/zinc/60/21/46/837602146.db2.gz RPPFZOCAYNCIQR-HNNXBMFYSA-N 1 3 326.485 0.953 20 0 ECADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001266567438 835995918 /nfs/dbraw/zinc/99/59/18/835995918.db2.gz DGIZTJMZMNHCIR-INIZCTEOSA-N 1 3 338.496 0.969 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCOC[C@H]2CCCO2)C1 ZINC001266634908 836070585 /nfs/dbraw/zinc/07/05/85/836070585.db2.gz LGZQVGYKGMHXSM-RBSFLKMASA-N 1 3 336.436 0.693 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001266807191 836329011 /nfs/dbraw/zinc/32/90/11/836329011.db2.gz FUONVROEXUZMHO-HOTGVXAUSA-N 1 3 327.469 0.165 20 0 ECADHO CC(C)NC(=O)NCC[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001266944921 836505429 /nfs/dbraw/zinc/50/54/29/836505429.db2.gz UOWPARPGMGWHOK-CYBMUJFWSA-N 1 3 327.473 0.273 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CN(C)C1CCC1 ZINC001408601045 837293482 /nfs/dbraw/zinc/29/34/82/837293482.db2.gz ZKKRAESPYWXORQ-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CN(C)C1CCC1 ZINC001408601045 837293491 /nfs/dbraw/zinc/29/34/91/837293491.db2.gz ZKKRAESPYWXORQ-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001408693402 838007283 /nfs/dbraw/zinc/00/72/83/838007283.db2.gz BKHOWDNRQHSYEY-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(=O)[C@H]1CCCN1C ZINC001408742480 838216134 /nfs/dbraw/zinc/21/61/34/838216134.db2.gz BLFRBVGAYFVRRX-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(=O)[C@H]1CCCN1C ZINC001408742480 838216145 /nfs/dbraw/zinc/21/61/45/838216145.db2.gz BLFRBVGAYFVRRX-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CCNC(=O)CN1CC[C@H](C)C1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001408800476 838460336 /nfs/dbraw/zinc/46/03/36/838460336.db2.gz ZZSFXJLDKHCTPC-RDJZCZTQSA-N 1 3 340.512 0.879 20 0 ECADHO Cc1nnc(CNCCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001267918958 838791068 /nfs/dbraw/zinc/79/10/68/838791068.db2.gz JLRZKFUHCHFPLJ-HNNXBMFYSA-N 1 3 334.468 0.783 20 0 ECADHO Cc1nnc(CNCCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001267918958 838791074 /nfs/dbraw/zinc/79/10/74/838791074.db2.gz JLRZKFUHCHFPLJ-HNNXBMFYSA-N 1 3 334.468 0.783 20 0 ECADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC001267933104 838816122 /nfs/dbraw/zinc/81/61/22/838816122.db2.gz CLZLSXSZAMUWAR-XDQVBPFNSA-N 1 3 338.452 0.149 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188749005 290631649 /nfs/dbraw/zinc/63/16/49/290631649.db2.gz YXTFFLVTGHFLKR-YHUYYLMFSA-N 1 3 326.460 0.703 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426491674 210152470 /nfs/dbraw/zinc/15/24/70/210152470.db2.gz IYVFERCNJHIGGY-MRXNPFEDSA-N 1 3 334.464 0.380 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426491674 210152475 /nfs/dbraw/zinc/15/24/75/210152475.db2.gz IYVFERCNJHIGGY-MRXNPFEDSA-N 1 3 334.464 0.380 20 0 ECADHO CNS(=O)(=O)c1ccc([C@@H](C)NCCN2CC[NH2+]CC2)cc1 ZINC000423200855 290792766 /nfs/dbraw/zinc/79/27/66/290792766.db2.gz GSIGWAXDZKBBKF-CYBMUJFWSA-N 1 3 326.466 0.151 20 0 ECADHO CN(C)[C@@H](CNC(=O)C[NH2+]C1(CO)CCOCC1)c1ccccc1 ZINC000354821459 299136910 /nfs/dbraw/zinc/13/69/10/299136910.db2.gz TWAIQEYZYVVAID-INIZCTEOSA-N 1 3 335.448 0.537 20 0 ECADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425379335 210048061 /nfs/dbraw/zinc/04/80/61/210048061.db2.gz APNQJBDYKJIKKB-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000338315617 297255953 /nfs/dbraw/zinc/25/59/53/297255953.db2.gz KGEHSHCGZYBSPG-CVEARBPZSA-N 1 3 347.525 0.701 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000423743209 209819989 /nfs/dbraw/zinc/81/99/89/209819989.db2.gz JSXLFBMYDTYVKS-HOTGVXAUSA-N 1 3 349.479 0.990 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418841184 282949216 /nfs/dbraw/zinc/94/92/16/282949216.db2.gz GMDGNHLIYBYRSY-CQSZACIVSA-N 1 3 326.485 0.999 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000355267952 299228029 /nfs/dbraw/zinc/22/80/29/299228029.db2.gz SANYTUTWJXRKCF-HOCLYGCPSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000355324371 299238809 /nfs/dbraw/zinc/23/88/09/299238809.db2.gz UFYRWWAIDPMXIP-KGLIPLIRSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000418836389 296015298 /nfs/dbraw/zinc/01/52/98/296015298.db2.gz PMJGZMXUAXOEFZ-CQSZACIVSA-N 1 3 338.496 0.953 20 0 ECADHO CCC[NH2+]CCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420436586 209366193 /nfs/dbraw/zinc/36/61/93/209366193.db2.gz OGLCNUCZJGCCQK-UHFFFAOYSA-N 1 3 331.486 0.339 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000420324117 209353612 /nfs/dbraw/zinc/35/36/12/209353612.db2.gz ZDXBNJLYYNHTOP-KZNAEPCWSA-N 1 3 330.476 0.947 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000420096616 209303959 /nfs/dbraw/zinc/30/39/59/209303959.db2.gz GUFRHTACGOAYNX-QGZVFWFLSA-N 1 3 344.459 0.847 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420021915 209280358 /nfs/dbraw/zinc/28/03/58/209280358.db2.gz UTJANRQYCKAFSE-XHSDSOJGSA-N 1 3 336.480 0.707 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000419971365 209266285 /nfs/dbraw/zinc/26/62/85/209266285.db2.gz DOACJRMYYZQBRX-AWEZNQCLSA-N 1 3 340.493 0.738 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000419954330 209259889 /nfs/dbraw/zinc/25/98/89/209259889.db2.gz MDBOFLHOABSZHM-LSDHHAIUSA-N 1 3 342.484 0.045 20 0 ECADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419954589 209259398 /nfs/dbraw/zinc/25/93/98/209259398.db2.gz RKZVLJCTQNKODI-UHFFFAOYSA-N 1 3 346.475 0.693 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419916450 209247762 /nfs/dbraw/zinc/24/77/62/209247762.db2.gz FNRKQOFHWOSOQQ-MRXNPFEDSA-N 1 3 338.496 0.683 20 0 ECADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419907255 209246162 /nfs/dbraw/zinc/24/61/62/209246162.db2.gz BNLJHJOHWVYVFI-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000419876453 209234072 /nfs/dbraw/zinc/23/40/72/209234072.db2.gz PVLWKLSNECHVDA-UHFFFAOYSA-N 1 3 326.466 0.364 20 0 ECADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCCC[NH3+] ZINC000419842708 209221796 /nfs/dbraw/zinc/22/17/96/209221796.db2.gz WGUHUHLFBWQCQS-UHFFFAOYSA-N 1 3 342.390 0.320 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000419832100 209216586 /nfs/dbraw/zinc/21/65/86/209216586.db2.gz RMQDTUWSVHSZEY-GOEBONIOSA-N 1 3 332.448 0.651 20 0 ECADHO CC(C)C[C@H](CNC(=O)C(=O)NCC[NH3+])N[C@@H](C)c1ccccc1 ZINC000419831197 209216455 /nfs/dbraw/zinc/21/64/55/209216455.db2.gz HBTJAPHKOPJQSI-GOEBONIOSA-N 1 3 334.464 0.943 20 0 ECADHO CCN(C(=O)C(=O)NCC[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000419823934 209215208 /nfs/dbraw/zinc/21/52/08/209215208.db2.gz YXKHPZPNUQWICP-GOEBONIOSA-N 1 3 332.448 0.745 20 0 ECADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCN ZINC000419813137 209211436 /nfs/dbraw/zinc/21/14/36/209211436.db2.gz GHJRKEVBIVMWNM-MRXNPFEDSA-N 1 3 332.448 0.432 20 0 ECADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCN ZINC000419813137 209211441 /nfs/dbraw/zinc/21/14/41/209211441.db2.gz GHJRKEVBIVMWNM-MRXNPFEDSA-N 1 3 332.448 0.432 20 0 ECADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419729172 209190385 /nfs/dbraw/zinc/19/03/85/209190385.db2.gz NXZPKZXJCXZMPV-RHSMWYFYSA-N 1 3 344.459 0.806 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419776294 209203659 /nfs/dbraw/zinc/20/36/59/209203659.db2.gz LOLUKYWQPNOPFY-OAHLLOKOSA-N 1 3 336.480 0.649 20 0 ECADHO N[C@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000419768637 209201533 /nfs/dbraw/zinc/20/15/33/209201533.db2.gz CVBJBSXYLYANCB-QGZVFWFLSA-N 1 3 344.459 0.793 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419764345 209200513 /nfs/dbraw/zinc/20/05/13/209200513.db2.gz OZFZLOAJJIGYBN-DLBZAZTESA-N 1 3 346.475 0.788 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419764345 209200517 /nfs/dbraw/zinc/20/05/17/209200517.db2.gz OZFZLOAJJIGYBN-DLBZAZTESA-N 1 3 346.475 0.788 20 0 ECADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C1CC1 ZINC000419761798 209199745 /nfs/dbraw/zinc/19/97/45/209199745.db2.gz KWRIVBXMCHVABJ-IAGOWNOFSA-N 1 3 344.459 0.573 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C(C)C ZINC000419794991 209205582 /nfs/dbraw/zinc/20/55/82/209205582.db2.gz IJRIUAFRUAVCJQ-HNNXBMFYSA-N 1 3 326.485 0.855 20 0 ECADHO COCCN(C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356316446 299376622 /nfs/dbraw/zinc/37/66/22/299376622.db2.gz WBCMDOJLVKCRNA-UHFFFAOYSA-N 1 3 342.484 0.509 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419703878 209179185 /nfs/dbraw/zinc/17/91/85/209179185.db2.gz XCUSSFSHQJYCHP-CRAIPNDOSA-N 1 3 338.496 0.810 20 0 ECADHO CC[N@H+](C)Cc1cccc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)c1 ZINC000263108230 245330033 /nfs/dbraw/zinc/33/00/33/245330033.db2.gz DCHIJGAEANCTPO-KRWDZBQOSA-N 1 3 334.464 0.854 20 0 ECADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)c1 ZINC000263108230 245330043 /nfs/dbraw/zinc/33/00/43/245330043.db2.gz DCHIJGAEANCTPO-KRWDZBQOSA-N 1 3 334.464 0.854 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(C4CCCC4)C3)C[C@H]21 ZINC000419692624 209173144 /nfs/dbraw/zinc/17/31/44/209173144.db2.gz HABQINKTNKPZSX-YALNPMBYSA-N 1 3 348.491 0.705 20 0 ECADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419648993 209157653 /nfs/dbraw/zinc/15/76/53/209157653.db2.gz LTBWWMORGRLZQP-DZGCQCFKSA-N 1 3 332.448 0.792 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419577844 209130423 /nfs/dbraw/zinc/13/04/23/209130423.db2.gz FBUSIKIMHDKFRP-XJKSGUPXSA-N 1 3 344.525 0.372 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000419527046 209116501 /nfs/dbraw/zinc/11/65/01/209116501.db2.gz UTKCGQSDXSQYBS-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111867576 220214504 /nfs/dbraw/zinc/21/45/04/220214504.db2.gz NGHZCYLPLHFFCR-INIZCTEOSA-N 1 3 342.484 0.101 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000446395185 211143916 /nfs/dbraw/zinc/14/39/16/211143916.db2.gz BYIPDWPASGRVGJ-FXUDXRNXSA-N 1 3 336.480 0.705 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419772182 284793128 /nfs/dbraw/zinc/79/31/28/284793128.db2.gz FWCPDQAEOMOQAT-FRRDWIJNSA-N 1 3 328.457 0.062 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000417441443 284895180 /nfs/dbraw/zinc/89/51/80/284895180.db2.gz QAZUCZQVEKINKC-CYBMUJFWSA-N 1 3 334.411 0.784 20 0 ECADHO CN1CCC(CNC(=O)C[C@@H]2COCCN2)([NH+]2CCCCC2)CC1 ZINC000357246079 299546090 /nfs/dbraw/zinc/54/60/90/299546090.db2.gz WZNHISXLRXFNQA-MRXNPFEDSA-N 1 3 338.496 0.431 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000419475111 209104352 /nfs/dbraw/zinc/10/43/52/209104352.db2.gz DFKNZDDQVHALQH-MRXNPFEDSA-N 1 3 338.496 0.955 20 0 ECADHO CN1CCN(c2ncc(CNC3(CCO)CC[NH+](C)CC3)cn2)CC1 ZINC000430008904 210346451 /nfs/dbraw/zinc/34/64/51/210346451.db2.gz XNIRGYQWSQVGBW-UHFFFAOYSA-N 1 3 348.495 0.165 20 0 ECADHO CN1CCN(c2ncc(C[NH2+]C3(CCO)CCN(C)CC3)cn2)CC1 ZINC000430008904 210346454 /nfs/dbraw/zinc/34/64/54/210346454.db2.gz XNIRGYQWSQVGBW-UHFFFAOYSA-N 1 3 348.495 0.165 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419164968 209007851 /nfs/dbraw/zinc/00/78/51/209007851.db2.gz ZVGZEDIBGPXATH-AWEZNQCLSA-N 1 3 326.485 0.857 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(F)(F)CN ZINC000418513014 285277658 /nfs/dbraw/zinc/27/76/58/285277658.db2.gz MBICHYHWGZCNHY-ZDUSSCGKSA-N 1 3 335.443 0.638 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(F)(F)CN ZINC000418513014 285277659 /nfs/dbraw/zinc/27/76/59/285277659.db2.gz MBICHYHWGZCNHY-ZDUSSCGKSA-N 1 3 335.443 0.638 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419173371 209012035 /nfs/dbraw/zinc/01/20/35/209012035.db2.gz SMXFLRXYMXBWLM-LSDHHAIUSA-N 1 3 326.485 0.857 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000419194084 209019948 /nfs/dbraw/zinc/01/99/48/209019948.db2.gz RSOXENWOSWECOP-UHFFFAOYSA-N 1 3 346.475 0.753 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N[C@@H](CN)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000419200048 209020661 /nfs/dbraw/zinc/02/06/61/209020661.db2.gz LRYYOWVVVUHMHC-YOEHRIQHSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N[C@@H](CN)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000419200048 209020662 /nfs/dbraw/zinc/02/06/62/209020662.db2.gz LRYYOWVVVUHMHC-YOEHRIQHSA-N 1 3 346.475 0.867 20 0 ECADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419225452 209032718 /nfs/dbraw/zinc/03/27/18/209032718.db2.gz HBINCOHJPHDRLW-CVEARBPZSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419234705 209036948 /nfs/dbraw/zinc/03/69/48/209036948.db2.gz XYCNGUBEMDOYAE-BMFZPTHFSA-N 1 3 336.480 0.481 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000119776851 221398407 /nfs/dbraw/zinc/39/84/07/221398407.db2.gz XQYGGPJVSNCWLD-GOSISDBHSA-N 1 3 331.460 0.864 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358240157 299705197 /nfs/dbraw/zinc/70/51/97/299705197.db2.gz FNCPABPPXICJJM-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000104533957 296635380 /nfs/dbraw/zinc/63/53/80/296635380.db2.gz HLXGBHAXAKECQQ-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CC(C)COC[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519447 165082885 /nfs/dbraw/zinc/08/28/85/165082885.db2.gz QEBKOLNMBAGLEJ-INIZCTEOSA-N 1 3 329.485 0.410 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1=O ZINC000261660379 165222602 /nfs/dbraw/zinc/22/26/02/165222602.db2.gz FFTRSQCSJIMKCO-ZDUSSCGKSA-N 1 3 348.422 0.820 20 0 ECADHO O=S(=O)([C@H]1CCCN(CC2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000261778047 165242297 /nfs/dbraw/zinc/24/22/97/165242297.db2.gz FEQCYMHHVKQSEM-HNNXBMFYSA-N 1 3 331.482 0.112 20 0 ECADHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000261819272 165247986 /nfs/dbraw/zinc/24/79/86/165247986.db2.gz XPMILIMFPQHVME-HNNXBMFYSA-N 1 3 340.449 0.333 20 0 ECADHO C[C@@]1(CN)CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000261819272 165247989 /nfs/dbraw/zinc/24/79/89/165247989.db2.gz XPMILIMFPQHVME-HNNXBMFYSA-N 1 3 340.449 0.333 20 0 ECADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000261819272 165247990 /nfs/dbraw/zinc/24/79/90/165247990.db2.gz XPMILIMFPQHVME-HNNXBMFYSA-N 1 3 340.449 0.333 20 0 ECADHO NC[C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000261943913 165267508 /nfs/dbraw/zinc/26/75/08/165267508.db2.gz JOPKEJZVFMESHR-UONOGXRCSA-N 1 3 344.381 0.681 20 0 ECADHO CC(C)N(CCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)C(C)C ZINC000262344992 165334546 /nfs/dbraw/zinc/33/45/46/165334546.db2.gz IIFIIXCTGBLINW-UHFFFAOYSA-N 1 3 333.498 0.388 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000262767742 165385046 /nfs/dbraw/zinc/38/50/46/165385046.db2.gz AWVOZJRWQRFHKI-MSOLQXFVSA-N 1 3 349.475 0.912 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)[C@H]1C[NH3+] ZINC000423728409 287322686 /nfs/dbraw/zinc/32/26/86/287322686.db2.gz JQNADYFGRKYVOO-OAGGEKHMSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000359328453 299838967 /nfs/dbraw/zinc/83/89/67/299838967.db2.gz YYVBUGLUKCYVLR-GFCCVEGCSA-N 1 3 327.450 0.441 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCCCC1 ZINC000331617832 296947910 /nfs/dbraw/zinc/94/79/10/296947910.db2.gz KOYCSVVSTFOYLV-OAHLLOKOSA-N 1 3 336.480 0.851 20 0 ECADHO COCCCN(C)CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000173208550 263148309 /nfs/dbraw/zinc/14/83/09/263148309.db2.gz YLSXOEZCPBKEQD-UHFFFAOYSA-N 1 3 330.473 0.365 20 0 ECADHO [NH3+]C[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000238013407 263175724 /nfs/dbraw/zinc/17/57/24/263175724.db2.gz IMVLCXBNBLDDRP-QGZVFWFLSA-N 1 3 344.459 0.496 20 0 ECADHO C[C@@H](Cn1cccn1)NCC1(C[NH2+][C@@H](C)Cn2cccn2)COC1 ZINC000270808567 263274071 /nfs/dbraw/zinc/27/40/71/263274071.db2.gz OZSYQPHVAXZYPQ-HOTGVXAUSA-N 1 3 332.452 0.753 20 0 ECADHO C[C@@H](CNC(=O)c1ccoc1CC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000270842160 263278262 /nfs/dbraw/zinc/27/82/62/263278262.db2.gz WOLYVHGRSSKNOX-STQMWFEESA-N 1 3 338.452 0.568 20 0 ECADHO C[C@@H](CNC(=O)Cc1occc1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000270842160 263278263 /nfs/dbraw/zinc/27/82/63/263278263.db2.gz WOLYVHGRSSKNOX-STQMWFEESA-N 1 3 338.452 0.568 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000283753368 264149398 /nfs/dbraw/zinc/14/93/98/264149398.db2.gz OVZXPAPZMGAZAW-UHFFFAOYSA-N 1 3 338.452 0.628 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000285082342 264276973 /nfs/dbraw/zinc/27/69/73/264276973.db2.gz MKDJMHMNOCDRRK-NVXWUHKLSA-N 1 3 348.491 0.732 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420030747 276096744 /nfs/dbraw/zinc/09/67/44/276096744.db2.gz GUWWQBFCAMMAKP-OLZOCXBDSA-N 1 3 328.457 0.064 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000340200336 437594903 /nfs/dbraw/zinc/59/49/03/437594903.db2.gz ANRAGTGGIJRJAW-GDBMZVCRSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000418876197 276794516 /nfs/dbraw/zinc/79/45/16/276794516.db2.gz LURWPGXYTODEAL-JKSUJKDBSA-N 1 3 332.448 0.225 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419693719 277387895 /nfs/dbraw/zinc/38/78/95/277387895.db2.gz ILRARWYHDSJOKP-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N1CCC[C@@H](C)C1 ZINC000420074582 278197081 /nfs/dbraw/zinc/19/70/81/278197081.db2.gz QTNDMHPWYQXOEJ-IIAWOOMASA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000419968063 279135188 /nfs/dbraw/zinc/13/51/88/279135188.db2.gz CVHZIUUPVNSDNW-JKSUJKDBSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419023932 279135989 /nfs/dbraw/zinc/13/59/89/279135989.db2.gz KLQFKNPCAIYHBL-RBSFLKMASA-N 1 3 326.485 0.713 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000459912731 279148184 /nfs/dbraw/zinc/14/81/84/279148184.db2.gz BKZUWBWODONBJL-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)CC1=O ZINC000449748274 279304572 /nfs/dbraw/zinc/30/45/72/279304572.db2.gz BDDJLOJAEBCTIJ-ZNMIVQPWSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340209418 437601603 /nfs/dbraw/zinc/60/16/03/437601603.db2.gz JLEIQWBVSSJLLV-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000340217191 437606429 /nfs/dbraw/zinc/60/64/29/437606429.db2.gz CUYIFEDLFXOTLE-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171782 288307389 /nfs/dbraw/zinc/30/73/89/288307389.db2.gz UOXIDEUPDWCZBF-QLFBSQMISA-N 1 3 336.480 0.576 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000410777816 289289799 /nfs/dbraw/zinc/28/97/99/289289799.db2.gz CZIJIRUCJPLJDD-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000410777816 289289803 /nfs/dbraw/zinc/28/98/03/289289803.db2.gz CZIJIRUCJPLJDD-ARFHVFGLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC[N@@H+]1C ZINC000332322523 297030896 /nfs/dbraw/zinc/03/08/96/297030896.db2.gz LMUXADFVDKDIQG-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC[N@H+]1C ZINC000332322523 297030897 /nfs/dbraw/zinc/03/08/97/297030897.db2.gz LMUXADFVDKDIQG-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000332692546 297065806 /nfs/dbraw/zinc/06/58/06/297065806.db2.gz UPKXYTDFPHHAFY-ZBFHGGJFSA-N 1 3 336.480 0.659 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](F)C[C@@H]3CO)CC2)CC1 ZINC000333299563 297122393 /nfs/dbraw/zinc/12/23/93/297122393.db2.gz SNEOCOKKSOTUFQ-CZUORRHYSA-N 1 3 342.459 0.659 20 0 ECADHO CN(C)[C@]1(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCSC1 ZINC000333465865 297136667 /nfs/dbraw/zinc/13/66/67/297136667.db2.gz ZWZTUYCTQHQCOC-HOCLYGCPSA-N 1 3 341.525 0.113 20 0 ECADHO CN1CCN(CCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1(C)C ZINC000333854818 297152348 /nfs/dbraw/zinc/15/23/48/297152348.db2.gz YAYHOBNWZINEOS-SFHVURJKSA-N 1 3 337.512 0.798 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cccnc1=O ZINC000337589316 297196839 /nfs/dbraw/zinc/19/68/39/297196839.db2.gz VPZDRJDHTHWDSS-HNNXBMFYSA-N 1 3 335.452 0.118 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cccnc1=O ZINC000337589316 297196841 /nfs/dbraw/zinc/19/68/41/297196841.db2.gz VPZDRJDHTHWDSS-HNNXBMFYSA-N 1 3 335.452 0.118 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[NH2+]1 ZINC000418847953 297268380 /nfs/dbraw/zinc/26/83/80/297268380.db2.gz KIDJHDSINIIBSU-PVAVHDDUSA-N 1 3 346.475 0.532 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC[C@H]1CCOC1 ZINC000344472779 298025914 /nfs/dbraw/zinc/02/59/14/298025914.db2.gz BBUUKVFHOWDCAO-DLBZAZTESA-N 1 3 341.496 0.914 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC[C@H]1CCOC1 ZINC000344472779 298025916 /nfs/dbraw/zinc/02/59/16/298025916.db2.gz BBUUKVFHOWDCAO-DLBZAZTESA-N 1 3 341.496 0.914 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1COCCN1C ZINC000344630847 298046927 /nfs/dbraw/zinc/04/69/27/298046927.db2.gz YLYXOJGRZPKYBY-HOTGVXAUSA-N 1 3 326.485 0.192 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1COCCN1C ZINC000344630847 298046930 /nfs/dbraw/zinc/04/69/30/298046930.db2.gz YLYXOJGRZPKYBY-HOTGVXAUSA-N 1 3 326.485 0.192 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+](CC)CC ZINC000345861177 298197719 /nfs/dbraw/zinc/19/77/19/298197719.db2.gz PDGBAHSBTBUXPC-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CN1CCN(c2ncc(CN3CCC(OCCC[NH3+])CC3)cn2)CC1 ZINC000346662393 298314011 /nfs/dbraw/zinc/31/40/11/298314011.db2.gz BVBKZZXMVUNISJ-UHFFFAOYSA-N 1 3 348.495 0.558 20 0 ECADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353455232 299050520 /nfs/dbraw/zinc/05/05/20/299050520.db2.gz OQQQWVIAWIRZLJ-RDJZCZTQSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353455232 299050522 /nfs/dbraw/zinc/05/05/22/299050522.db2.gz OQQQWVIAWIRZLJ-RDJZCZTQSA-N 1 3 337.512 0.748 20 0 ECADHO CC(C)C[C@H](NC(=O)CC1CC[NH+](C)CC1)C(=O)NCCN(C)C ZINC000362954413 300235659 /nfs/dbraw/zinc/23/56/59/300235659.db2.gz KOXXDRBMRIYXHZ-INIZCTEOSA-N 1 3 340.512 0.927 20 0 ECADHO CO[C@@H]1CN[C@@H](C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)C1 ZINC000365152782 300424135 /nfs/dbraw/zinc/42/41/35/300424135.db2.gz DCXAEBYBBDMOGM-OWCLPIDISA-N 1 3 347.415 0.911 20 0 ECADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000072815120 436058494 /nfs/dbraw/zinc/05/84/94/436058494.db2.gz GLIDLOQIESLIHI-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000072815120 436058500 /nfs/dbraw/zinc/05/85/00/436058500.db2.gz GLIDLOQIESLIHI-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000074676445 436135695 /nfs/dbraw/zinc/13/56/95/436135695.db2.gz JHMATSBRUXWHTQ-HOTGVXAUSA-N 1 3 326.485 0.097 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074227046 436113051 /nfs/dbraw/zinc/11/30/51/436113051.db2.gz CQBLIZZOOHVRIS-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000074200572 436113282 /nfs/dbraw/zinc/11/32/82/436113282.db2.gz HOVVZIOPXOZAIK-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000074200572 436113286 /nfs/dbraw/zinc/11/32/86/436113286.db2.gz HOVVZIOPXOZAIK-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO Cc1c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000373041280 301042019 /nfs/dbraw/zinc/04/20/19/301042019.db2.gz ZKXHZQXRTGWUFL-ABAIWWIYSA-N 1 3 332.452 0.724 20 0 ECADHO CN(CCCN1CCN(C)CC1)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000376210905 301242750 /nfs/dbraw/zinc/24/27/50/301242750.db2.gz OAWNYISOWJSZJL-OAHLLOKOSA-N 1 3 334.468 0.095 20 0 ECADHO CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000376210905 301242752 /nfs/dbraw/zinc/24/27/52/301242752.db2.gz OAWNYISOWJSZJL-OAHLLOKOSA-N 1 3 334.468 0.095 20 0 ECADHO COCCN(C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077662534 436244041 /nfs/dbraw/zinc/24/40/41/436244041.db2.gz ACTZILZHQYATPC-OAHLLOKOSA-N 1 3 342.484 0.365 20 0 ECADHO C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)C[NH+]1CCCCC1 ZINC000077783333 436253155 /nfs/dbraw/zinc/25/31/55/436253155.db2.gz MOXNQCGXPVNWSM-OAHLLOKOSA-N 1 3 326.485 0.864 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1=O ZINC000081410134 436344578 /nfs/dbraw/zinc/34/45/78/436344578.db2.gz QFSAKDBJILPZLP-LSDHHAIUSA-N 1 3 340.512 0.879 20 0 ECADHO C[NH+](C)C[C@](C)(O)CNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091232124 436446083 /nfs/dbraw/zinc/44/60/83/436446083.db2.gz PFBLJVOKISNXRN-GOSISDBHSA-N 1 3 349.479 0.910 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCN(C)C3)CC2)CC1 ZINC000051777726 436496253 /nfs/dbraw/zinc/49/62/53/436496253.db2.gz CVQIFRZBDYSZBP-MRXNPFEDSA-N 1 3 337.512 0.938 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NC[C@H](C)CN2CCOCC2)CC1 ZINC000531300783 302048694 /nfs/dbraw/zinc/04/86/94/302048694.db2.gz AYTDWUIKHLUXDB-INIZCTEOSA-N 1 3 326.485 0.099 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCCn3cccn3)CC2)CC1 ZINC000114949599 436645066 /nfs/dbraw/zinc/64/50/66/436645066.db2.gz QVLYYEYUXKZQGD-UHFFFAOYSA-N 1 3 334.468 0.741 20 0 ECADHO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000551286176 302355849 /nfs/dbraw/zinc/35/58/49/302355849.db2.gz DELKCAKUNNMAQD-QGZVFWFLSA-N 1 3 348.491 0.674 20 0 ECADHO CC1CCN(CC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000137490565 436658469 /nfs/dbraw/zinc/65/84/69/436658469.db2.gz WLRVORWMZRWXSD-INIZCTEOSA-N 1 3 336.480 0.659 20 0 ECADHO CC1CCN(CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000137490565 436658473 /nfs/dbraw/zinc/65/84/73/436658473.db2.gz WLRVORWMZRWXSD-INIZCTEOSA-N 1 3 336.480 0.659 20 0 ECADHO CCC(=O)N1CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000151608104 436707106 /nfs/dbraw/zinc/70/71/06/436707106.db2.gz ZBOWAUZACYCKQA-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO COCCn1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000120042979 436677780 /nfs/dbraw/zinc/67/77/80/436677780.db2.gz PVSMXXWOXPKLEI-UHFFFAOYSA-N 1 3 326.445 0.487 20 0 ECADHO NC1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000122108756 436731129 /nfs/dbraw/zinc/73/11/29/436731129.db2.gz NFFCVQLYAWWRQT-GJZGRUSLSA-N 1 3 336.480 0.755 20 0 ECADHO O=C(CN1CCCC[C@@H]1[C@H]1CNC(=O)C1)NC1CC[NH+](C2CC2)CC1 ZINC000124919584 436759107 /nfs/dbraw/zinc/75/91/07/436759107.db2.gz OSYVJIACTHEDHD-RHSMWYFYSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H](CO)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154331403 436776680 /nfs/dbraw/zinc/77/66/80/436776680.db2.gz BMCUUIRRFVFDQC-KBPBESRZSA-N 1 3 326.485 0.861 20 0 ECADHO CSCC[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000157308623 436826771 /nfs/dbraw/zinc/82/67/71/436826771.db2.gz LGMKDXZTIQZZEM-LSDHHAIUSA-N 1 3 328.526 0.695 20 0 ECADHO CSCC[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000157308623 436826774 /nfs/dbraw/zinc/82/67/74/436826774.db2.gz LGMKDXZTIQZZEM-LSDHHAIUSA-N 1 3 328.526 0.695 20 0 ECADHO CCOC(=O)CNC(=O)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000130282860 436836972 /nfs/dbraw/zinc/83/69/72/436836972.db2.gz WGPFXADCLLYWFT-HNNXBMFYSA-N 1 3 325.453 0.862 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000262300717 436923584 /nfs/dbraw/zinc/92/35/84/436923584.db2.gz XJHUAQAKAVGJGY-ZWKOTPCHSA-N 1 3 330.476 0.967 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000261604038 436879287 /nfs/dbraw/zinc/87/92/87/436879287.db2.gz CGBNGEZZSLNXNS-ZBFHGGJFSA-N 1 3 330.432 0.727 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000262343718 436927201 /nfs/dbraw/zinc/92/72/01/436927201.db2.gz GKJDMRRLAOHYSZ-QZTJIDSGSA-N 1 3 346.475 0.163 20 0 ECADHO C[C@@H]1CN(CC2CC[NH+](CCCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000170779968 436952649 /nfs/dbraw/zinc/95/26/49/436952649.db2.gz XYDSIOGHGGOXRE-OKILXGFUSA-N 1 3 340.468 0.783 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000263278608 436960953 /nfs/dbraw/zinc/96/09/53/436960953.db2.gz ZHCHXQSUWDZQOR-LZWOXQAQSA-N 1 3 340.512 0.959 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000263278608 436960956 /nfs/dbraw/zinc/96/09/56/436960956.db2.gz ZHCHXQSUWDZQOR-LZWOXQAQSA-N 1 3 340.512 0.959 20 0 ECADHO OCCCN(CCO)Cc1cccc(C[N@H+](CCO)CCCO)c1 ZINC000264620515 437054846 /nfs/dbraw/zinc/05/48/46/437054846.db2.gz NSKDFDVMDIDPCD-UHFFFAOYSA-N 1 3 340.464 0.040 20 0 ECADHO OCCCN(CCO)Cc1cccc(C[N@@H+](CCO)CCCO)c1 ZINC000264620515 437054849 /nfs/dbraw/zinc/05/48/49/437054849.db2.gz NSKDFDVMDIDPCD-UHFFFAOYSA-N 1 3 340.464 0.040 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331436053 437096197 /nfs/dbraw/zinc/09/61/97/437096197.db2.gz QXVPDVMSJYVUJG-FXUDXRNXSA-N 1 3 336.480 0.563 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423225843 303531733 /nfs/dbraw/zinc/53/17/33/303531733.db2.gz OLCYEUJUOOLCSC-IKGGRYGDSA-N 1 3 348.491 0.531 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000331854655 437169897 /nfs/dbraw/zinc/16/98/97/437169897.db2.gz PDLNCBPDHRBXBR-SOUVJXGZSA-N 1 3 337.468 0.062 20 0 ECADHO CN(C[C@H](O)C[NH+]1CCC(CCN2CCOCC2)CC1)C1CC1 ZINC000336876597 437304065 /nfs/dbraw/zinc/30/40/65/437304065.db2.gz UAGIKHFTKJCOPU-SFHVURJKSA-N 1 3 325.497 0.876 20 0 ECADHO C[N@H+](C[C@H](O)CN1CCC(CCN2CCOCC2)CC1)C1CC1 ZINC000336876597 437304068 /nfs/dbraw/zinc/30/40/68/437304068.db2.gz UAGIKHFTKJCOPU-SFHVURJKSA-N 1 3 325.497 0.876 20 0 ECADHO C[N@@H+](C[C@H](O)CN1CCC(CCN2CCOCC2)CC1)C1CC1 ZINC000336876597 437304072 /nfs/dbraw/zinc/30/40/72/437304072.db2.gz UAGIKHFTKJCOPU-SFHVURJKSA-N 1 3 325.497 0.876 20 0 ECADHO CN1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000333607967 437277589 /nfs/dbraw/zinc/27/75/89/437277589.db2.gz QFISWHBQPMZARP-JKSUJKDBSA-N 1 3 330.432 0.816 20 0 ECADHO CN1CCN(CCNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1(C)C ZINC000333800707 437287474 /nfs/dbraw/zinc/28/74/74/437287474.db2.gz OBFAHIZUCIYWJU-HRCADAONSA-N 1 3 337.512 0.781 20 0 ECADHO CN(C)C(=O)N1CCC([NH2+]CCCN2CCCN(C)CC2)CC1 ZINC000181765333 437330175 /nfs/dbraw/zinc/33/01/75/437330175.db2.gz RRKYWIMBXHHQCK-UHFFFAOYSA-N 1 3 325.501 0.750 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000269270741 437478051 /nfs/dbraw/zinc/47/80/51/437478051.db2.gz SHAMZDCPSPTIPA-IAGOWNOFSA-N 1 3 346.475 0.983 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000269270741 437478057 /nfs/dbraw/zinc/47/80/57/437478057.db2.gz SHAMZDCPSPTIPA-IAGOWNOFSA-N 1 3 346.475 0.983 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCN1C ZINC000339651403 437484528 /nfs/dbraw/zinc/48/45/28/437484528.db2.gz NLYIVRJZNIUQKJ-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000185462646 437438871 /nfs/dbraw/zinc/43/88/71/437438871.db2.gz UDNBAOIDNXDDNM-OAHLLOKOSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000185462646 437438875 /nfs/dbraw/zinc/43/88/75/437438875.db2.gz UDNBAOIDNXDDNM-OAHLLOKOSA-N 1 3 325.501 0.606 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289992326 437455464 /nfs/dbraw/zinc/45/54/64/437455464.db2.gz RFUNMNZZFQCALD-DLBZAZTESA-N 1 3 347.459 0.948 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289992326 437455469 /nfs/dbraw/zinc/45/54/69/437455469.db2.gz RFUNMNZZFQCALD-DLBZAZTESA-N 1 3 347.459 0.948 20 0 ECADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343144701 437514925 /nfs/dbraw/zinc/51/49/25/437514925.db2.gz JIBCPTHOWGFOCB-ZNMIVQPWSA-N 1 3 326.485 0.489 20 0 ECADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343144701 437514929 /nfs/dbraw/zinc/51/49/29/437514929.db2.gz JIBCPTHOWGFOCB-ZNMIVQPWSA-N 1 3 326.485 0.489 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000343175115 437527901 /nfs/dbraw/zinc/52/79/01/437527901.db2.gz QRQOMJZQGAECID-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000343175115 437527906 /nfs/dbraw/zinc/52/79/06/437527906.db2.gz QRQOMJZQGAECID-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339963358 437528998 /nfs/dbraw/zinc/52/89/98/437528998.db2.gz GKPQTWODXWHFQY-CQSZACIVSA-N 1 3 336.480 0.720 20 0 ECADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H](CO)C1CCOCC1)c1ccccc1 ZINC000355048684 437667275 /nfs/dbraw/zinc/66/72/75/437667275.db2.gz FEKPONNVVOMNOQ-ROUUACIJSA-N 1 3 349.475 0.783 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000340508604 437677854 /nfs/dbraw/zinc/67/78/54/437677854.db2.gz ZPALTIIEBXEPPB-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000340509001 437678074 /nfs/dbraw/zinc/67/80/74/437678074.db2.gz CUHYQHJXKHOTHG-RDJZCZTQSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000340509001 437678081 /nfs/dbraw/zinc/67/80/81/437678081.db2.gz CUHYQHJXKHOTHG-RDJZCZTQSA-N 1 3 348.491 0.674 20 0 ECADHO OCCN1CCN(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000340517113 437683856 /nfs/dbraw/zinc/68/38/56/437683856.db2.gz KYMVOFXYEMFECC-RCCFBDPRSA-N 1 3 337.508 0.924 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)C1CC1 ZINC000356464923 437767313 /nfs/dbraw/zinc/76/73/13/437767313.db2.gz WUXDUAWGIROCFP-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)C1CC1 ZINC000356464923 437767316 /nfs/dbraw/zinc/76/73/16/437767316.db2.gz WUXDUAWGIROCFP-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOCCS(C)(=O)=O ZINC000362302916 437729890 /nfs/dbraw/zinc/72/98/90/437729890.db2.gz GNBIKKFRRLYMBP-OAGGEKHMSA-N 1 3 348.509 0.527 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOCCS(C)(=O)=O ZINC000362302916 437729893 /nfs/dbraw/zinc/72/98/93/437729893.db2.gz GNBIKKFRRLYMBP-OAGGEKHMSA-N 1 3 348.509 0.527 20 0 ECADHO CN(CCCN(C)C(=O)C(=O)N1CCC[NH2+]CC1)Cc1ccco1 ZINC000423602589 437774310 /nfs/dbraw/zinc/77/43/10/437774310.db2.gz DHVOHZKPQMEQMV-UHFFFAOYSA-N 1 3 336.436 0.382 20 0 ECADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415547141 437818059 /nfs/dbraw/zinc/81/80/59/437818059.db2.gz YUACQYBFMMMJAP-UONOGXRCSA-N 1 3 348.447 0.761 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000423753468 437823481 /nfs/dbraw/zinc/82/34/81/437823481.db2.gz DIWKVIXPPXHYTK-LSDHHAIUSA-N 1 3 325.453 0.895 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000423682693 437802448 /nfs/dbraw/zinc/80/24/48/437802448.db2.gz WHWNZIUGYUDBAW-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000423728030 437815939 /nfs/dbraw/zinc/81/59/39/437815939.db2.gz VRMGMHLHEBNMPI-OAGGEKHMSA-N 1 3 338.496 0.905 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000423728030 437815942 /nfs/dbraw/zinc/81/59/42/437815942.db2.gz VRMGMHLHEBNMPI-OAGGEKHMSA-N 1 3 338.496 0.905 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1=O ZINC000423963099 437868035 /nfs/dbraw/zinc/86/80/35/437868035.db2.gz DZOOHCYENYURBR-YESZJQIVSA-N 1 3 344.459 0.268 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000415898272 437878840 /nfs/dbraw/zinc/87/88/40/437878840.db2.gz SXGZRLVNQAUHPH-CABCVRRESA-N 1 3 330.432 0.755 20 0 ECADHO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371302029 437915169 /nfs/dbraw/zinc/91/51/69/437915169.db2.gz IGVYFYWYSKCUHZ-HOTGVXAUSA-N 1 3 346.541 0.274 20 0 ECADHO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371302029 437915174 /nfs/dbraw/zinc/91/51/74/437915174.db2.gz IGVYFYWYSKCUHZ-HOTGVXAUSA-N 1 3 346.541 0.274 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424161636 437896136 /nfs/dbraw/zinc/89/61/36/437896136.db2.gz BZGGHDOGNYHPHK-GDBMZVCRSA-N 1 3 340.431 0.819 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(N(C)C)CC2)CC1=O ZINC000416299471 437910370 /nfs/dbraw/zinc/91/03/70/437910370.db2.gz GFMOJDONBUFWMS-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(N(C)C)CC2)CC1=O ZINC000416299471 437910371 /nfs/dbraw/zinc/91/03/71/437910371.db2.gz GFMOJDONBUFWMS-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO [NH3+]CCCCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424533206 437967404 /nfs/dbraw/zinc/96/74/04/437967404.db2.gz YGMOBBGDFYWRRH-DLBZAZTESA-N 1 3 344.459 0.574 20 0 ECADHO CN(C)S(=O)(=O)c1ccc(OCC[NH2+]CC2(N)CCC2)cc1 ZINC000342104169 437969398 /nfs/dbraw/zinc/96/93/98/437969398.db2.gz NJVIFRKEUKDKFJ-UHFFFAOYSA-N 1 3 327.450 0.787 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417031544 438016600 /nfs/dbraw/zinc/01/66/00/438016600.db2.gz DSHRKSXIVJPBMB-HZPDHXFCSA-N 1 3 325.501 0.701 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000417063687 438020426 /nfs/dbraw/zinc/02/04/26/438020426.db2.gz IWWIBIBNRFGJMI-GOSISDBHSA-N 1 3 345.491 0.937 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417361612 438042013 /nfs/dbraw/zinc/04/20/13/438042013.db2.gz COSBWGICYXQDGY-OAHLLOKOSA-N 1 3 334.468 0.488 20 0 ECADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417362504 438044913 /nfs/dbraw/zinc/04/49/13/438044913.db2.gz ABXZZJLATITQNS-GJZGRUSLSA-N 1 3 334.468 0.629 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)CN1CCN(C)CC1 ZINC000366284697 438046580 /nfs/dbraw/zinc/04/65/80/438046580.db2.gz RCWCSOICPSRJOF-FUHWJXTLSA-N 1 3 337.512 0.607 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)CN1CCN(C)CC1 ZINC000366284697 438046583 /nfs/dbraw/zinc/04/65/83/438046583.db2.gz RCWCSOICPSRJOF-FUHWJXTLSA-N 1 3 337.512 0.607 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417426962 438048811 /nfs/dbraw/zinc/04/88/11/438048811.db2.gz HUYVXKSFMAVIFT-QLFBSQMISA-N 1 3 339.484 0.226 20 0 ECADHO CCCN(C(=O)NC1CCN(CCN(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000416968930 438008022 /nfs/dbraw/zinc/00/80/22/438008022.db2.gz BGPUYYJHLZUQQD-MRXNPFEDSA-N 1 3 325.501 0.796 20 0 ECADHO CN(CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000417621347 438062414 /nfs/dbraw/zinc/06/24/14/438062414.db2.gz FOASMGOEQNQSFH-LBPRGKRZSA-N 1 3 337.390 0.216 20 0 ECADHO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)[C@@H](c1ccccc1)N(C)C ZINC000418189275 438118344 /nfs/dbraw/zinc/11/83/44/438118344.db2.gz VGMIJYKSJQJVNQ-XIRDDKMYSA-N 1 3 333.480 0.881 20 0 ECADHO CN(C)CCOc1cnccc1CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418200874 438119383 /nfs/dbraw/zinc/11/93/83/438119383.db2.gz YZCUMTUMDIABTK-OAHLLOKOSA-N 1 3 335.452 0.963 20 0 ECADHO Cc1c(C(=O)N(C)[C@H]2CCN(C3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000430890456 438127036 /nfs/dbraw/zinc/12/70/36/438127036.db2.gz QNUKHTAUNZJGSH-HNNXBMFYSA-N 1 3 332.452 0.820 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418411620 438141090 /nfs/dbraw/zinc/14/10/90/438141090.db2.gz QFCOJXIXLONNQO-AWEZNQCLSA-N 1 3 327.473 0.261 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418465439 438149060 /nfs/dbraw/zinc/14/90/60/438149060.db2.gz MXHRJJMSIQVMPQ-CABCVRRESA-N 1 3 339.484 0.452 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)C(=O)NCCN(C)C ZINC000418571274 438161048 /nfs/dbraw/zinc/16/10/48/438161048.db2.gz RHQWOROYBZQNIN-KKUMJFAQSA-N 1 3 341.500 0.648 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418624133 438169260 /nfs/dbraw/zinc/16/92/60/438169260.db2.gz OUNRGDYAUFJNNZ-GDBMZVCRSA-N 1 3 325.501 0.829 20 0 ECADHO O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418675671 438174308 /nfs/dbraw/zinc/17/43/08/438174308.db2.gz RVORDOTXRMNDNY-MUQADHOPSA-N 1 3 330.432 0.140 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)Cc1ccccc1 ZINC000418848515 438214896 /nfs/dbraw/zinc/21/48/96/438214896.db2.gz LMYXPEVLHJHSEO-DLBZAZTESA-N 1 3 346.475 0.534 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418873660 438231052 /nfs/dbraw/zinc/23/10/52/438231052.db2.gz IJRYRIRWZPBDPX-OIISXLGYSA-N 1 3 346.475 0.471 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418876519 438232936 /nfs/dbraw/zinc/23/29/36/438232936.db2.gz MLXPUPSIVUFRHR-HZPDHXFCSA-N 1 3 332.448 0.129 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418881832 438234321 /nfs/dbraw/zinc/23/43/21/438234321.db2.gz XZECUYBPRLYWNK-SJORKVTESA-N 1 3 346.475 0.534 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418883109 438234657 /nfs/dbraw/zinc/23/46/57/438234657.db2.gz UPLKXVCQYMBAPP-HUUCEWRRSA-N 1 3 342.484 0.237 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418885235 438236589 /nfs/dbraw/zinc/23/65/89/438236589.db2.gz YGEZVVRQUSWCTK-HUUCEWRRSA-N 1 3 342.484 0.093 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000351007781 438246635 /nfs/dbraw/zinc/24/66/35/438246635.db2.gz PYTFBCPWNKDLBE-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)NCCC[NH3+])CCCN1Cc1ccccc1 ZINC000418818661 438200676 /nfs/dbraw/zinc/20/06/76/438200676.db2.gz NXUPKTUDNPUTNB-SFHVURJKSA-N 1 3 332.448 0.622 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc3c(c2)CNC3)CCCC1 ZINC000418824295 438202166 /nfs/dbraw/zinc/20/21/66/438202166.db2.gz DFHXCHDVFREMIW-UHFFFAOYSA-N 1 3 344.459 0.897 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)[C@H]1C[NH3+] ZINC000418829521 438205338 /nfs/dbraw/zinc/20/53/38/438205338.db2.gz HAGTVFLOOBIAGC-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO CNC(=O)c1ccc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)nn1 ZINC000367460924 438209183 /nfs/dbraw/zinc/20/91/83/438209183.db2.gz MUKIAHWRCBFHLK-CYBMUJFWSA-N 1 3 332.452 0.441 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000418939953 438258234 /nfs/dbraw/zinc/25/82/34/438258234.db2.gz RKYHMHJVORFOHF-OAHLLOKOSA-N 1 3 326.485 0.858 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418941019 438258302 /nfs/dbraw/zinc/25/83/02/438258302.db2.gz HMLXZYJMFCCWJX-OAHLLOKOSA-N 1 3 334.464 0.691 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C[C@H]1C[NH3+] ZINC000418990962 438275953 /nfs/dbraw/zinc/27/59/53/438275953.db2.gz WUURLOKCMPGHNF-RHSMWYFYSA-N 1 3 346.475 0.808 20 0 ECADHO CN(CCCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419006062 438280841 /nfs/dbraw/zinc/28/08/41/438280841.db2.gz SJQVYDXAOJYSBO-IRXDYDNUSA-N 1 3 346.475 0.868 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)N(C)C)cc1 ZINC000358708793 438287282 /nfs/dbraw/zinc/28/72/82/438287282.db2.gz RDONHWBRAJZZQA-AEFFLSMTSA-N 1 3 334.464 0.964 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)N(C)C)cc1 ZINC000358708793 438287284 /nfs/dbraw/zinc/28/72/84/438287284.db2.gz RDONHWBRAJZZQA-AEFFLSMTSA-N 1 3 334.464 0.964 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419027561 438296615 /nfs/dbraw/zinc/29/66/15/438296615.db2.gz OVCCPDHNJRINNL-APIJFGDWSA-N 1 3 326.485 0.441 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419017524 438288203 /nfs/dbraw/zinc/28/82/03/438288203.db2.gz AZNFFVRKVGIHIP-ILXRZTDVSA-N 1 3 338.496 0.999 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419023501 438292880 /nfs/dbraw/zinc/29/28/80/438292880.db2.gz JUBMOUIVETYJDS-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000419136872 438340758 /nfs/dbraw/zinc/34/07/58/438340758.db2.gz OEQXFLTYHJJCLJ-IRXDYDNUSA-N 1 3 344.459 0.895 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419034088 438299698 /nfs/dbraw/zinc/29/96/98/438299698.db2.gz ZFFOAPVXGMPAGV-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000358825116 438309460 /nfs/dbraw/zinc/30/94/60/438309460.db2.gz LEBFGRIUKCNTIH-UONOGXRCSA-N 1 3 338.496 0.846 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420117663 438389250 /nfs/dbraw/zinc/38/92/50/438389250.db2.gz HYFHHCPCNBTEEA-CVEARBPZSA-N 1 3 340.512 0.927 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000419291820 438353298 /nfs/dbraw/zinc/35/32/98/438353298.db2.gz XRFZNSLYXUYNPJ-UHFFFAOYSA-N 1 3 326.485 0.825 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)N(C)C1CC1 ZINC000419595365 438362346 /nfs/dbraw/zinc/36/23/46/438362346.db2.gz WIIVFHXIKGCILF-AWEZNQCLSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000378311274 438372854 /nfs/dbraw/zinc/37/28/54/438372854.db2.gz CZWUAHJAVQEAHD-QGZVFWFLSA-N 1 3 332.448 0.955 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](CN)C1CCCC1)C[NH+]1CCCCC1 ZINC000420073386 438386836 /nfs/dbraw/zinc/38/68/36/438386836.db2.gz ORCBKFGTJFJUPN-GDBMZVCRSA-N 1 3 338.496 0.858 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391027447 438435455 /nfs/dbraw/zinc/43/54/55/438435455.db2.gz SWJRSGLYRLRWLU-IAGOWNOFSA-N 1 3 335.448 0.758 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000420793615 438440640 /nfs/dbraw/zinc/44/06/40/438440640.db2.gz KUXWUDLNKHZKCC-CABCVRRESA-N 1 3 339.484 0.309 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000420793615 438440645 /nfs/dbraw/zinc/44/06/45/438440645.db2.gz KUXWUDLNKHZKCC-CABCVRRESA-N 1 3 339.484 0.309 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420326028 438400077 /nfs/dbraw/zinc/40/00/77/438400077.db2.gz JAHVDZOCHWPSIH-USXIJHARSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327537 438400390 /nfs/dbraw/zinc/40/03/90/438400390.db2.gz LMJUKPMDUGRENR-WCVJEAGWSA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000369401409 438468850 /nfs/dbraw/zinc/46/88/50/438468850.db2.gz MLXLPHWDZUBNCE-JKSUJKDBSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1)[NH+]1CCCCC1 ZINC000359704931 438481416 /nfs/dbraw/zinc/48/14/16/438481416.db2.gz NLAVBZYKLSMBQQ-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000421522696 438489471 /nfs/dbraw/zinc/48/94/71/438489471.db2.gz SGOULLLCVDDQFR-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000421522696 438489476 /nfs/dbraw/zinc/48/94/76/438489476.db2.gz SGOULLLCVDDQFR-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CN1CCN(C[C@@H]2CCCN(C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000369364201 438459586 /nfs/dbraw/zinc/45/95/86/438459586.db2.gz QGMVGDKJNKEJNX-INIZCTEOSA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCN(C[C@@H]2CCCN(C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000369364201 438459590 /nfs/dbraw/zinc/45/95/90/438459590.db2.gz QGMVGDKJNKEJNX-INIZCTEOSA-N 1 3 337.512 0.750 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000422103480 438519414 /nfs/dbraw/zinc/51/94/14/438519414.db2.gz GWHDWCFFSNYDOG-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)N2CCN(C)CC2)CC1 ZINC000353839185 438543446 /nfs/dbraw/zinc/54/34/46/438543446.db2.gz DYKBIHCVZORQSP-SJORKVTESA-N 1 3 339.528 0.012 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422291233 438546226 /nfs/dbraw/zinc/54/62/26/438546226.db2.gz GBBZJHBOFIGNJE-WLYUNCDWSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@H]1CCNC[C@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422722980 438603518 /nfs/dbraw/zinc/60/35/18/438603518.db2.gz ZHRKBILYKQLAHZ-DLBZAZTESA-N 1 3 332.496 0.966 20 0 ECADHO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000422916095 438617574 /nfs/dbraw/zinc/61/75/74/438617574.db2.gz ZXYSXUYVYMMGDV-QKPAOTATSA-N 1 3 327.469 0.759 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000422963403 438620791 /nfs/dbraw/zinc/62/07/91/438620791.db2.gz ILQOBBDQCRSRCG-MRXNPFEDSA-N 1 3 347.463 0.230 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779113 438624926 /nfs/dbraw/zinc/62/49/26/438624926.db2.gz KZCMLZDSGACHAH-HUUCEWRRSA-N 1 3 332.452 0.184 20 0 ECADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779113 438624930 /nfs/dbraw/zinc/62/49/30/438624930.db2.gz KZCMLZDSGACHAH-HUUCEWRRSA-N 1 3 332.452 0.184 20 0 ECADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000442779113 438624933 /nfs/dbraw/zinc/62/49/33/438624933.db2.gz KZCMLZDSGACHAH-HUUCEWRRSA-N 1 3 332.452 0.184 20 0 ECADHO O=C(NCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccn[nH]1 ZINC000423043028 438632643 /nfs/dbraw/zinc/63/26/43/438632643.db2.gz NAYJPMWHCIESHV-CRAIPNDOSA-N 1 3 341.415 0.985 20 0 ECADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423137195 438641800 /nfs/dbraw/zinc/64/18/00/438641800.db2.gz ZVYQQZHKUFNDRD-RRFJBIMHSA-N 1 3 332.514 0.754 20 0 ECADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423137195 438641804 /nfs/dbraw/zinc/64/18/04/438641804.db2.gz ZVYQQZHKUFNDRD-RRFJBIMHSA-N 1 3 332.514 0.754 20 0 ECADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423164784 438645738 /nfs/dbraw/zinc/64/57/38/438645738.db2.gz AGFXIKYSZHERDG-QAPCUYQASA-N 1 3 336.480 0.661 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423349982 438664952 /nfs/dbraw/zinc/66/49/52/438664952.db2.gz YEFWOKULXPQDOU-HNNXBMFYSA-N 1 3 330.436 0.530 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423369863 438666699 /nfs/dbraw/zinc/66/66/99/438666699.db2.gz PCGBLSWHIMYGMV-CABCVRRESA-N 1 3 348.447 0.238 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000423581258 438691810 /nfs/dbraw/zinc/69/18/10/438691810.db2.gz BSTVKVYZCKZGGL-UHFFFAOYSA-N 1 3 326.485 0.763 20 0 ECADHO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000414659956 438714141 /nfs/dbraw/zinc/71/41/41/438714141.db2.gz NSVAEISIBXHJAS-UHFFFAOYSA-N 1 3 336.411 0.866 20 0 ECADHO CN(C)C(=O)COc1ccccc1CNCCCN1CC[NH2+]CC1 ZINC000414775447 438717910 /nfs/dbraw/zinc/71/79/10/438717910.db2.gz CRNGOYFFGOBFGX-UHFFFAOYSA-N 1 3 334.464 0.539 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000454592551 438721600 /nfs/dbraw/zinc/72/16/00/438721600.db2.gz RUKBZJUQPBCCSQ-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000454592551 438721604 /nfs/dbraw/zinc/72/16/04/438721604.db2.gz RUKBZJUQPBCCSQ-HOTGVXAUSA-N 1 3 326.485 0.864 20 0 ECADHO NCC(=O)N1CCC[C@H](C[NH2+]CCc2ccc3c(c2)OCCO3)C1 ZINC000415090594 438729851 /nfs/dbraw/zinc/72/98/51/438729851.db2.gz YDMCOMBHBUBBHA-OAHLLOKOSA-N 1 3 333.432 0.787 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000575139073 438739621 /nfs/dbraw/zinc/73/96/21/438739621.db2.gz WCECTFFSTSVKIG-HZPDHXFCSA-N 1 3 338.496 0.681 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CCC1 ZINC000575826013 438756120 /nfs/dbraw/zinc/75/61/20/438756120.db2.gz UXZUUPYZDJUBNS-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CCC1 ZINC000575826013 438756122 /nfs/dbraw/zinc/75/61/22/438756122.db2.gz UXZUUPYZDJUBNS-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000553355025 438749723 /nfs/dbraw/zinc/74/97/23/438749723.db2.gz UZMNZFCMSKGZRI-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000575932069 438760910 /nfs/dbraw/zinc/76/09/10/438760910.db2.gz AHEQYRICNJPODU-FJIDUMEYSA-N 1 3 343.512 0.499 20 0 ECADHO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000575932069 438760911 /nfs/dbraw/zinc/76/09/11/438760911.db2.gz AHEQYRICNJPODU-FJIDUMEYSA-N 1 3 343.512 0.499 20 0 ECADHO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000576157955 438771461 /nfs/dbraw/zinc/77/14/61/438771461.db2.gz YLRZOFFDZPJUPI-KGLIPLIRSA-N 1 3 342.509 0.188 20 0 ECADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCN(C)C[C@H]2CN)([NH+](C)C)C1 ZINC000576687251 438793472 /nfs/dbraw/zinc/79/34/72/438793472.db2.gz IYGWDAZECKZVDY-BFYDXBDKSA-N 1 3 325.501 0.781 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN(C)C[C@@H]2CN)([NH+](C)C)C1 ZINC000576687254 438793876 /nfs/dbraw/zinc/79/38/76/438793876.db2.gz IYGWDAZECKZVDY-VYDXJSESSA-N 1 3 325.501 0.781 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000514616112 438818765 /nfs/dbraw/zinc/81/87/65/438818765.db2.gz JHTNEOQUHSZELS-KRWDZBQOSA-N 1 3 346.475 0.488 20 0 ECADHO Cn1cc(-c2cc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)on2)cn1 ZINC000514603623 438818963 /nfs/dbraw/zinc/81/89/63/438818963.db2.gz SVNQRJRRTWIKBK-LBPRGKRZSA-N 1 3 332.408 0.362 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577394940 438839147 /nfs/dbraw/zinc/83/91/47/438839147.db2.gz HQVCELXVYNIKST-LSDHHAIUSA-N 1 3 337.468 0.073 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000515224502 438856454 /nfs/dbraw/zinc/85/64/54/438856454.db2.gz MONIMUKWRLGEHU-JJTUDDRGSA-N 1 3 348.491 0.576 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458369280 438875836 /nfs/dbraw/zinc/87/58/36/438875836.db2.gz ODWOJSVMCQLSTI-JKSUJKDBSA-N 1 3 342.484 0.243 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458369280 438875840 /nfs/dbraw/zinc/87/58/40/438875840.db2.gz ODWOJSVMCQLSTI-JKSUJKDBSA-N 1 3 342.484 0.243 20 0 ECADHO CC[NH2+]CC1CCN([C@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC000595892983 438878524 /nfs/dbraw/zinc/87/85/24/438878524.db2.gz SUFOVNZDLZPUMA-HNNXBMFYSA-N 1 3 325.453 0.862 20 0 ECADHO CN1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000564861636 438879921 /nfs/dbraw/zinc/87/99/21/438879921.db2.gz FXQQKGIEFKHYHG-UXHICEINSA-N 1 3 346.519 0.706 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564861636 438879924 /nfs/dbraw/zinc/87/99/24/438879924.db2.gz FXQQKGIEFKHYHG-UXHICEINSA-N 1 3 346.519 0.706 20 0 ECADHO CN1CCN(C[C@@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564861636 438879928 /nfs/dbraw/zinc/87/99/28/438879928.db2.gz FXQQKGIEFKHYHG-UXHICEINSA-N 1 3 346.519 0.706 20 0 ECADHO CC(C)[C@H](C(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@H](C)[NH3+] ZINC000515839628 438880188 /nfs/dbraw/zinc/88/01/88/438880188.db2.gz MCEDYCGAMGOMMR-BBRMVZONSA-N 1 3 326.485 0.665 20 0 ECADHO COC(=O)CCN1CC[C@@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000595900620 438882528 /nfs/dbraw/zinc/88/25/28/438882528.db2.gz ILGWCLBFQQVEPO-HZPDHXFCSA-N 1 3 337.464 0.862 20 0 ECADHO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000565159026 438920877 /nfs/dbraw/zinc/92/08/77/438920877.db2.gz VLCIQFUCUMMTJS-ZWKOTPCHSA-N 1 3 342.528 0.026 20 0 ECADHO COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000565159026 438920882 /nfs/dbraw/zinc/92/08/82/438920882.db2.gz VLCIQFUCUMMTJS-ZWKOTPCHSA-N 1 3 342.528 0.026 20 0 ECADHO N[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@H]1c1ccccc1F ZINC000578506025 438928103 /nfs/dbraw/zinc/92/81/03/438928103.db2.gz ZLOFBBYXHINCRK-DZGCQCFKSA-N 1 3 346.410 0.723 20 0 ECADHO C[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)CN1CCN(C)CC1 ZINC000579004059 438972708 /nfs/dbraw/zinc/97/27/08/438972708.db2.gz XCZNVKFVUGCJEE-HNNXBMFYSA-N 1 3 333.480 0.828 20 0 ECADHO C[NH+]1CCC(CCNC(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000565763626 438976141 /nfs/dbraw/zinc/97/61/41/438976141.db2.gz HWJXHOPVCWJTJB-UHFFFAOYSA-N 1 3 347.467 0.740 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000518514636 439001590 /nfs/dbraw/zinc/00/15/90/439001590.db2.gz DTEKLAFOMZLLMY-MZBWOGCUSA-N 1 3 348.491 0.657 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCN(C)C2)CC1=O ZINC000591642763 439043945 /nfs/dbraw/zinc/04/39/45/439043945.db2.gz JLEHKAWYISCURU-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCN(C)C2)CC1=O ZINC000591642763 439043948 /nfs/dbraw/zinc/04/39/48/439043948.db2.gz JLEHKAWYISCURU-ARFHVFGLSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NC[C@@H]1NCCc2ccccc21)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000519634691 439048454 /nfs/dbraw/zinc/04/84/54/439048454.db2.gz LMCIDJWIOMUWJA-ZBFHGGJFSA-N 1 3 340.431 0.647 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000579607484 439024829 /nfs/dbraw/zinc/02/48/29/439024829.db2.gz LQHZCIPQRSZRBE-ZJIFWQFVSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000566228399 439030418 /nfs/dbraw/zinc/03/04/18/439030418.db2.gz OOOBHWWIUZMDIE-STQMWFEESA-N 1 3 336.436 0.808 20 0 ECADHO Nc1cccc(CN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000566245727 439030971 /nfs/dbraw/zinc/03/09/71/439030971.db2.gz QVQVHZWAWRJTSI-IRXDYDNUSA-N 1 3 329.448 0.989 20 0 ECADHO C[NH+](C)CC1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000579735656 439036383 /nfs/dbraw/zinc/03/63/83/439036383.db2.gz JRUCCZPRXHJWMP-PFSRBDOWSA-N 1 3 337.468 0.060 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000566295613 439038590 /nfs/dbraw/zinc/03/85/90/439038590.db2.gz AWJOCHDUCVPHSW-GOSISDBHSA-N 1 3 345.491 0.219 20 0 ECADHO C[C@@H]1CCCCN1CCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602469439 439093570 /nfs/dbraw/zinc/09/35/70/439093570.db2.gz SZWCOLWAQDOSFH-JLCFBVMHSA-N 1 3 329.510 0.868 20 0 ECADHO C[S@](=O)C1(C(=O)N2CC[C@@H](CN3CCCCC3)C2)CC[NH2+]CC1 ZINC000602485050 439097294 /nfs/dbraw/zinc/09/72/94/439097294.db2.gz MZCLAVYWDMYICR-WNSKOXEYSA-N 1 3 341.521 0.822 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000566667848 439080298 /nfs/dbraw/zinc/08/02/98/439080298.db2.gz MUVOLGBXJURQOH-JKSUJKDBSA-N 1 3 349.483 0.958 20 0 ECADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000566667848 439080302 /nfs/dbraw/zinc/08/03/02/439080302.db2.gz MUVOLGBXJURQOH-JKSUJKDBSA-N 1 3 349.483 0.958 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000580772694 439129680 /nfs/dbraw/zinc/12/96/80/439129680.db2.gz QKDGVIOHOAMOCJ-HUUCEWRRSA-N 1 3 325.501 0.781 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000525882825 439223136 /nfs/dbraw/zinc/22/31/36/439223136.db2.gz REIORPRDUUWPDW-UHFFFAOYSA-N 1 3 348.447 0.512 20 0 ECADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000567801244 439179524 /nfs/dbraw/zinc/17/95/24/439179524.db2.gz JXIYHSNMBKYBOQ-HOTGVXAUSA-N 1 3 336.480 0.661 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568295589 439236739 /nfs/dbraw/zinc/23/67/39/439236739.db2.gz IIECTMKEHVGEMT-SFHVURJKSA-N 1 3 345.491 0.985 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000568867433 439284696 /nfs/dbraw/zinc/28/46/96/439284696.db2.gz XGZVUIUEPCPMHQ-QWHCGFSZSA-N 1 3 340.493 0.880 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CCSC1 ZINC000592957159 439322260 /nfs/dbraw/zinc/32/22/60/439322260.db2.gz LISFIJXONJILBB-LRDDRELGSA-N 1 3 337.493 0.886 20 0 ECADHO Cn1nnc2cc(CNC[C@H](N3CC[NH2+]CC3)C(F)(F)F)ccc21 ZINC000582348054 439324218 /nfs/dbraw/zinc/32/42/18/439324218.db2.gz DBBILAITONQXAX-AWEZNQCLSA-N 1 3 342.369 0.894 20 0 ECADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000569455536 439335335 /nfs/dbraw/zinc/33/53/35/439335335.db2.gz JXNOOZXQZSFHAX-PMPSAXMXSA-N 1 3 338.496 0.727 20 0 ECADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000582087825 439288996 /nfs/dbraw/zinc/28/89/96/439288996.db2.gz BXUBJVYMCHDSFW-WTTBNOFXSA-N 1 3 348.491 0.813 20 0 ECADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000582087825 439289000 /nfs/dbraw/zinc/28/90/00/439289000.db2.gz BXUBJVYMCHDSFW-WTTBNOFXSA-N 1 3 348.491 0.813 20 0 ECADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569003971 439297787 /nfs/dbraw/zinc/29/77/87/439297787.db2.gz WHZONKZXYMBFLW-RDBSUJKOSA-N 1 3 337.468 0.060 20 0 ECADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569003971 439297792 /nfs/dbraw/zinc/29/77/92/439297792.db2.gz WHZONKZXYMBFLW-RDBSUJKOSA-N 1 3 337.468 0.060 20 0 ECADHO CN(C)[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])Cc1ccccc1 ZINC000582230518 439306017 /nfs/dbraw/zinc/30/60/17/439306017.db2.gz ATEMJSWWJOWXJQ-SJORKVTESA-N 1 3 333.480 0.444 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@@H]1CN)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582775044 439378965 /nfs/dbraw/zinc/37/89/65/439378965.db2.gz LSHJXIABCCWJIM-UXLLHSPISA-N 1 3 337.512 0.924 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@@H]1CN)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582775044 439378971 /nfs/dbraw/zinc/37/89/71/439378971.db2.gz LSHJXIABCCWJIM-UXLLHSPISA-N 1 3 337.512 0.924 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)NCc3ccc(C[NH3+])cc3)C2)nn1 ZINC000582784619 439380529 /nfs/dbraw/zinc/38/05/29/439380529.db2.gz NMNITJFRTCLLOP-MRXNPFEDSA-N 1 3 343.435 0.742 20 0 ECADHO [NH3+][C@H]1CCC[C@@H](NCCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000582856660 439389493 /nfs/dbraw/zinc/38/94/93/439389493.db2.gz QRQMOUREARQEQF-JKSUJKDBSA-N 1 3 331.464 0.980 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000570188484 439401010 /nfs/dbraw/zinc/40/10/10/439401010.db2.gz WBFAZCLILZPSBB-UHFFFAOYSA-N 1 3 334.464 0.869 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)nn1 ZINC000529346883 439410180 /nfs/dbraw/zinc/41/01/80/439410180.db2.gz ATEIWAXXJKJULM-KBPBESRZSA-N 1 3 333.440 0.368 20 0 ECADHO CN1CCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@H](CN)C1 ZINC000571058543 439472558 /nfs/dbraw/zinc/47/25/58/439472558.db2.gz FULIKFSBEOWVRO-MRXNPFEDSA-N 1 3 325.501 0.927 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000571284749 439488919 /nfs/dbraw/zinc/48/89/19/439488919.db2.gz OCPHINZRCCJBAH-OAHLLOKOSA-N 1 3 332.448 0.675 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)/C=C\c1cccnc1 ZINC000492084536 439493033 /nfs/dbraw/zinc/49/30/33/439493033.db2.gz MUGPVQPKJVELJX-FPLPWBNLSA-N 1 3 347.463 0.163 20 0 ECADHO CN(C)C/C=C/C(=O)N1CCC[C@@H](CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000492166864 439503898 /nfs/dbraw/zinc/50/38/98/439503898.db2.gz YWBJZZIXISBMNZ-MIHIJDTBSA-N 1 3 336.480 0.577 20 0 ECADHO CN(C)C/C=C\C(=O)NC[C@@H]1CCCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000492166864 439503904 /nfs/dbraw/zinc/50/39/04/439503904.db2.gz YWBJZZIXISBMNZ-MIHIJDTBSA-N 1 3 336.480 0.577 20 0 ECADHO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCN2CCC1CC2 ZINC000571789168 439531502 /nfs/dbraw/zinc/53/15/02/439531502.db2.gz JQMANVNDJCVCGD-DLBZAZTESA-N 1 3 336.480 0.854 20 0 ECADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(CC[NH3+])CC1 ZINC000571812098 439534309 /nfs/dbraw/zinc/53/43/09/439534309.db2.gz YEXKBGVUBCAWKS-HNNXBMFYSA-N 1 3 346.479 0.575 20 0 ECADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584125308 439553952 /nfs/dbraw/zinc/55/39/52/439553952.db2.gz YLMADTUGSAEGTH-MJBXVCDLSA-N 1 3 325.457 0.060 20 0 ECADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584125308 439553955 /nfs/dbraw/zinc/55/39/55/439553955.db2.gz YLMADTUGSAEGTH-MJBXVCDLSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@H](CN1CCN(c2ccccn2)CC1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000584167777 439558233 /nfs/dbraw/zinc/55/82/33/439558233.db2.gz GRKTWRDNLDHJNQ-SJLPKXTDSA-N 1 3 347.507 0.637 20 0 ECADHO C[C@H](CN1CCN(c2ccccn2)CC1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584167777 439558235 /nfs/dbraw/zinc/55/82/35/439558235.db2.gz GRKTWRDNLDHJNQ-SJLPKXTDSA-N 1 3 347.507 0.637 20 0 ECADHO CN(C)C1(CNC(=O)NC[C@H]2C[NH2+]CCN2C)Cc2ccccc2C1 ZINC000584221541 439564213 /nfs/dbraw/zinc/56/42/13/439564213.db2.gz RVHYONCUHMFVHA-QGZVFWFLSA-N 1 3 345.491 0.288 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000572246596 439567829 /nfs/dbraw/zinc/56/78/29/439567829.db2.gz HUKMPFLVTJTTQO-PMACEKPBSA-N 1 3 347.503 0.962 20 0 ECADHO CC(C)(C)OC(=O)[C@](C)(O)CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594612768 439581713 /nfs/dbraw/zinc/58/17/13/439581713.db2.gz QZFJSQBUQKJSTC-RHSMWYFYSA-N 1 3 328.453 0.922 20 0 ECADHO Cc1ccc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000584523812 439596586 /nfs/dbraw/zinc/59/65/86/439596586.db2.gz XQGQBQNKQHCZBE-UHFFFAOYSA-N 1 3 349.479 0.001 20 0 ECADHO C[NH+](C)CCOc1ccc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000594736332 439599103 /nfs/dbraw/zinc/59/91/03/439599103.db2.gz AOMAHOGRRPGNCJ-DOTOQJQBSA-N 1 3 332.448 0.371 20 0 ECADHO COC[C@@]1(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)CC[NH2+]C1 ZINC000572719843 439604514 /nfs/dbraw/zinc/60/45/14/439604514.db2.gz UBLULNFBJOLSEN-MRXNPFEDSA-N 1 3 330.392 0.495 20 0 ECADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000594945943 439642922 /nfs/dbraw/zinc/64/29/22/439642922.db2.gz JIBXXMZDPNGWCL-HRCADAONSA-N 1 3 339.480 0.570 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000573692298 439661905 /nfs/dbraw/zinc/66/19/05/439661905.db2.gz MQNCJDAORZPXMU-RTBURBONSA-N 1 3 334.508 0.357 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000611647974 439714414 /nfs/dbraw/zinc/71/44/14/439714414.db2.gz HIAGUJMCQCGOLY-CWRNSKLLSA-N 1 3 336.480 0.528 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000611647974 439714415 /nfs/dbraw/zinc/71/44/15/439714415.db2.gz HIAGUJMCQCGOLY-CWRNSKLLSA-N 1 3 336.480 0.528 20 0 ECADHO C[N@H+](CCCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)C1CC1 ZINC000611941727 439737899 /nfs/dbraw/zinc/73/78/99/439737899.db2.gz IWFQHJBXZRVKRV-AWEZNQCLSA-N 1 3 338.496 0.966 20 0 ECADHO C[N@@H+](CCCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)C1CC1 ZINC000611941727 439737900 /nfs/dbraw/zinc/73/79/00/439737900.db2.gz IWFQHJBXZRVKRV-AWEZNQCLSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CO)CN(C)C)CC2)CC1 ZINC000614848533 439788609 /nfs/dbraw/zinc/78/86/09/439788609.db2.gz QSHLZROYEPTIBZ-MRXNPFEDSA-N 1 3 340.512 0.221 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000662743488 439868463 /nfs/dbraw/zinc/86/84/63/439868463.db2.gz NTVMJRFUBCVJSS-QGZVFWFLSA-N 1 3 346.475 0.836 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000641860198 439929184 /nfs/dbraw/zinc/92/91/84/439929184.db2.gz RMDNHOSZZYAZLZ-WKILWMFISA-N 1 3 327.517 0.886 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626801693 439887346 /nfs/dbraw/zinc/88/73/46/439887346.db2.gz XUCDKFUAXRPWTD-LBPRGKRZSA-N 1 3 334.420 0.564 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000652547930 439888292 /nfs/dbraw/zinc/88/82/92/439888292.db2.gz WZBLNWIESUQMTN-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000652547930 439888297 /nfs/dbraw/zinc/88/82/97/439888297.db2.gz WZBLNWIESUQMTN-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)[NH+](C)C ZINC000626842085 439907135 /nfs/dbraw/zinc/90/71/35/439907135.db2.gz KYRZZMMESZNXOE-GFCCVEGCSA-N 1 3 334.420 0.564 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858387 439916606 /nfs/dbraw/zinc/91/66/06/439916606.db2.gz GULPNKMHFXNMAJ-IKGGRYGDSA-N 1 3 333.432 0.233 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662954379 439966936 /nfs/dbraw/zinc/96/69/36/439966936.db2.gz SFAMLAJUOBESRE-DOTOQJQBSA-N 1 3 346.475 0.567 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000642330371 439972161 /nfs/dbraw/zinc/97/21/61/439972161.db2.gz BCPJSOJYJPUELA-GJZGRUSLSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[NH2+]1 ZINC000626964752 439972509 /nfs/dbraw/zinc/97/25/09/439972509.db2.gz XAXYXLHOAHZXOH-KFWWJZLASA-N 1 3 339.484 0.369 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[NH2+]1 ZINC000626964754 439972733 /nfs/dbraw/zinc/97/27/33/439972733.db2.gz XAXYXLHOAHZXOH-RBSFLKMASA-N 1 3 339.484 0.369 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC2(COC)CC[NH2+]CC2)C1(C)C ZINC000647037999 439978657 /nfs/dbraw/zinc/97/86/57/439978657.db2.gz LTWLLXICBIJQHI-CXAGYDPISA-N 1 3 327.469 0.651 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@H](CN)C1 ZINC000662985760 439982161 /nfs/dbraw/zinc/98/21/61/439982161.db2.gz ZXUDKDYLHBZMJM-PMPSAXMXSA-N 1 3 336.480 0.517 20 0 ECADHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000646937883 439937613 /nfs/dbraw/zinc/93/76/13/439937613.db2.gz VDXRZKCSFDUJTI-JENIJYKNSA-N 1 3 329.444 0.786 20 0 ECADHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000646937883 439937619 /nfs/dbraw/zinc/93/76/19/439937619.db2.gz VDXRZKCSFDUJTI-JENIJYKNSA-N 1 3 329.444 0.786 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000652723961 439943704 /nfs/dbraw/zinc/94/37/04/439943704.db2.gz QDKRUEFZYSFAEH-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000662925188 439945905 /nfs/dbraw/zinc/94/59/05/439945905.db2.gz OWPNBWYXTXZAMC-UHFFFAOYSA-N 1 3 336.480 0.517 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000652726149 439947866 /nfs/dbraw/zinc/94/78/66/439947866.db2.gz IDRGVAZKBGNCMS-UHFFFAOYSA-N 1 3 345.447 0.318 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000642094923 439949450 /nfs/dbraw/zinc/94/94/50/439949450.db2.gz SPOYRWUQYHGZNB-DLBZAZTESA-N 1 3 346.475 0.534 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@H](O)C(F)F)CC2)CC1 ZINC000636681466 439990323 /nfs/dbraw/zinc/99/03/23/439990323.db2.gz XMZFSFBCEGCLCI-CQSZACIVSA-N 1 3 348.438 0.860 20 0 ECADHO CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016709 439990548 /nfs/dbraw/zinc/99/05/48/439990548.db2.gz HVHWSLIAXHTPKJ-UONOGXRCSA-N 1 3 334.468 0.523 20 0 ECADHO CC(C)[NH2+]CC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016403 439990618 /nfs/dbraw/zinc/99/06/18/439990618.db2.gz CTLZMHGOZPAEDZ-AWEZNQCLSA-N 1 3 334.468 0.523 20 0 ECADHO CN(C)CCOCCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627018839 439990943 /nfs/dbraw/zinc/99/09/43/439990943.db2.gz IANABXXYIJKAPA-NEPJUHHUSA-N 1 3 340.390 0.733 20 0 ECADHO O=C([C@H]1CNCCO1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094196 439997990 /nfs/dbraw/zinc/99/79/90/439997990.db2.gz ZKDJSKSZWGPPKM-QGZVFWFLSA-N 1 3 347.463 0.571 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N3CCC(O)(C[NH3+])CC3)cc2)CC1 ZINC000647095350 439999010 /nfs/dbraw/zinc/99/90/10/439999010.db2.gz NBRFLWQJTPWWAX-UHFFFAOYSA-N 1 3 346.475 0.754 20 0 ECADHO C[NH2+]CCOCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000627113473 440010489 /nfs/dbraw/zinc/01/04/89/440010489.db2.gz YFCKBZBFUMOJEX-UHFFFAOYSA-N 1 3 349.479 0.829 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H](CN)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000642724517 440017459 /nfs/dbraw/zinc/01/74/59/440017459.db2.gz SSUQTCFUSPNFIU-CZUORRHYSA-N 1 3 338.496 0.857 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NCC[NH2+]C2CC2)Cc2ccccc2C1 ZINC000642726139 440018180 /nfs/dbraw/zinc/01/81/80/440018180.db2.gz PRPZQSSCCIBXDR-UHFFFAOYSA-N 1 3 344.459 0.070 20 0 ECADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC1CNC1 ZINC000642924132 440064098 /nfs/dbraw/zinc/06/40/98/440064098.db2.gz VRLUYLJDYLZFAP-INIZCTEOSA-N 1 3 344.459 0.445 20 0 ECADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC1CNC1 ZINC000642924132 440064104 /nfs/dbraw/zinc/06/41/04/440064104.db2.gz VRLUYLJDYLZFAP-INIZCTEOSA-N 1 3 344.459 0.445 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653115431 440072215 /nfs/dbraw/zinc/07/22/15/440072215.db2.gz OSWKBTFOCNKIIT-PMPSAXMXSA-N 1 3 336.480 0.576 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000642968795 440073873 /nfs/dbraw/zinc/07/38/73/440073873.db2.gz YFZGTILFFGMXNN-OAHLLOKOSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)C[NH2+]1 ZINC000627205064 440042204 /nfs/dbraw/zinc/04/22/04/440042204.db2.gz LNCKCPQDYJNMLX-LSDHHAIUSA-N 1 3 325.501 0.842 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccccc2-n2cncn2)C1 ZINC000647489548 440052375 /nfs/dbraw/zinc/05/23/75/440052375.db2.gz MFVKMLIJSYXFDB-HNNXBMFYSA-N 1 3 328.420 0.554 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663630860 440132813 /nfs/dbraw/zinc/13/28/13/440132813.db2.gz QRAXJHZBXDZYCW-RDJZCZTQSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663630860 440132818 /nfs/dbraw/zinc/13/28/18/440132818.db2.gz QRAXJHZBXDZYCW-RDJZCZTQSA-N 1 3 338.496 0.959 20 0 ECADHO C[NH+](C)C1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000643394362 440136028 /nfs/dbraw/zinc/13/60/28/440136028.db2.gz CIGHGDOJLBKKJC-HWOWSKLDSA-N 1 3 336.480 0.576 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000627381625 440167545 /nfs/dbraw/zinc/16/75/45/440167545.db2.gz WWYWGFJEHJIBLD-UHFFFAOYSA-N 1 3 333.436 0.221 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000653432736 440172453 /nfs/dbraw/zinc/17/24/53/440172453.db2.gz RUOCGECIEOYYIB-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000653432736 440172461 /nfs/dbraw/zinc/17/24/61/440172461.db2.gz RUOCGECIEOYYIB-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643470234 440176125 /nfs/dbraw/zinc/17/61/25/440176125.db2.gz XDQIVRGPYOKYBC-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)N1CCC(C)CC1 ZINC000643470519 440176166 /nfs/dbraw/zinc/17/61/66/440176166.db2.gz DILHXJGLPXOMOX-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643478747 440179828 /nfs/dbraw/zinc/17/98/28/440179828.db2.gz ASRFUOIIHFOCNK-INIZCTEOSA-N 1 3 347.463 0.562 20 0 ECADHO CC(C)(O)CN1CCC([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)CC1 ZINC000647908991 440188781 /nfs/dbraw/zinc/18/87/81/440188781.db2.gz DMYSHNKKPIZMBX-OAHLLOKOSA-N 1 3 340.512 0.399 20 0 ECADHO C[C@@H](Cn1cncn1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663888746 440189176 /nfs/dbraw/zinc/18/91/76/440189176.db2.gz CLYAILKHQLVRMV-KBPBESRZSA-N 1 3 325.461 0.238 20 0 ECADHO C[C@@H](Cn1cncn1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663888746 440189178 /nfs/dbraw/zinc/18/91/78/440189178.db2.gz CLYAILKHQLVRMV-KBPBESRZSA-N 1 3 325.461 0.238 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000643500372 440189637 /nfs/dbraw/zinc/18/96/37/440189637.db2.gz MCPKOLQVHIGIAI-SFHVURJKSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H](CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C ZINC000663915720 440195109 /nfs/dbraw/zinc/19/51/09/440195109.db2.gz HZGCJOXRNISORI-LSDHHAIUSA-N 1 3 341.500 0.569 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000663717641 440160151 /nfs/dbraw/zinc/16/01/51/440160151.db2.gz XINPMNJHIDTQGL-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000663717641 440160158 /nfs/dbraw/zinc/16/01/58/440160158.db2.gz XINPMNJHIDTQGL-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000663717644 440160181 /nfs/dbraw/zinc/16/01/81/440160181.db2.gz XINPMNJHIDTQGL-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000663717644 440160190 /nfs/dbraw/zinc/16/01/90/440160190.db2.gz XINPMNJHIDTQGL-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCN1CCOC[C@@H]1C ZINC000663991560 440211261 /nfs/dbraw/zinc/21/12/61/440211261.db2.gz QPVOPDHWNLNOHH-HOTGVXAUSA-N 1 3 343.516 0.278 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCN1CCOC[C@@H]1C ZINC000663991560 440211265 /nfs/dbraw/zinc/21/12/65/440211265.db2.gz QPVOPDHWNLNOHH-HOTGVXAUSA-N 1 3 343.516 0.278 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCN1CCOC[C@H]1C ZINC000663991567 440211388 /nfs/dbraw/zinc/21/13/88/440211388.db2.gz QPVOPDHWNLNOHH-JKSUJKDBSA-N 1 3 343.516 0.278 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCN1CCOC[C@H]1C ZINC000663991567 440211395 /nfs/dbraw/zinc/21/13/95/440211395.db2.gz QPVOPDHWNLNOHH-JKSUJKDBSA-N 1 3 343.516 0.278 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)C[NH+](C)C ZINC000659080459 440231745 /nfs/dbraw/zinc/23/17/45/440231745.db2.gz AUQDSJHZFXCZPV-CZUORRHYSA-N 1 3 348.447 0.600 20 0 ECADHO CC(=O)N1CCN(C(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647976720 440206094 /nfs/dbraw/zinc/20/60/94/440206094.db2.gz SPMYHHRJZQZQFB-DLBZAZTESA-N 1 3 336.480 0.389 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000659097274 440243106 /nfs/dbraw/zinc/24/31/06/440243106.db2.gz YILISPUHUABTAE-UHFFFAOYSA-N 1 3 336.436 0.761 20 0 ECADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000648152936 440246020 /nfs/dbraw/zinc/24/60/20/440246020.db2.gz QBOJOFCZQYZBTJ-GJZGRUSLSA-N 1 3 344.450 0.860 20 0 ECADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000648152936 440246025 /nfs/dbraw/zinc/24/60/25/440246025.db2.gz QBOJOFCZQYZBTJ-GJZGRUSLSA-N 1 3 344.450 0.860 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627505740 440244283 /nfs/dbraw/zinc/24/42/83/440244283.db2.gz DCBFDXWJCLHZFL-CVEARBPZSA-N 1 3 330.432 0.197 20 0 ECADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000648177523 440253023 /nfs/dbraw/zinc/25/30/23/440253023.db2.gz FTVFPVMAAMIMRL-MJBXVCDLSA-N 1 3 331.407 0.976 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000664222446 440262824 /nfs/dbraw/zinc/26/28/24/440262824.db2.gz VOZDFALCBGVZCC-JKSUJKDBSA-N 1 3 327.517 0.899 20 0 ECADHO O=C(CCOC1CNC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659350286 440304009 /nfs/dbraw/zinc/30/40/09/440304009.db2.gz VAJBZEDYKCOPOU-BBRMVZONSA-N 1 3 339.386 0.905 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664409346 440306767 /nfs/dbraw/zinc/30/67/67/440306767.db2.gz UNNPFSOOZLKWTO-UKRRQHHQSA-N 1 3 339.484 0.131 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664409346 440306771 /nfs/dbraw/zinc/30/67/71/440306771.db2.gz UNNPFSOOZLKWTO-UKRRQHHQSA-N 1 3 339.484 0.131 20 0 ECADHO C[C@H]1CCC[C@@](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000654395780 440307760 /nfs/dbraw/zinc/30/77/60/440307760.db2.gz TVRMAKRXCKXNBR-LISAXSMJSA-N 1 3 338.496 0.957 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632528767 440270600 /nfs/dbraw/zinc/27/06/00/440270600.db2.gz JUUDABZMOFCYKT-HNNXBMFYSA-N 1 3 336.484 0.201 20 0 ECADHO COCCNCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659528872 440356021 /nfs/dbraw/zinc/35/60/21/440356021.db2.gz VHAGUHRAMVLJJS-UHFFFAOYSA-N 1 3 342.484 0.413 20 0 ECADHO [NH3+][C@H](CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC1 ZINC000659527444 440356823 /nfs/dbraw/zinc/35/68/23/440356823.db2.gz LBAMOBLLWKSZLL-IAGOWNOFSA-N 1 3 332.448 0.790 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1([NH3+])CCCC1 ZINC000659448266 440327934 /nfs/dbraw/zinc/32/79/34/440327934.db2.gz OZQJUPBMKAGSEU-AWEZNQCLSA-N 1 3 339.484 0.500 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000633038988 440417953 /nfs/dbraw/zinc/41/79/53/440417953.db2.gz RKMOAWLXDIVCFQ-STQMWFEESA-N 1 3 334.420 0.514 20 0 ECADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000659610254 440374149 /nfs/dbraw/zinc/37/41/49/440374149.db2.gz YYPJNUUWUHOBLO-UXLLHSPISA-N 1 3 336.480 0.881 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)NC(N)=O ZINC000654679562 440377841 /nfs/dbraw/zinc/37/78/41/440377841.db2.gz ZFKSLGHIJVPCNK-KGLIPLIRSA-N 1 3 327.473 0.308 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)NC(N)=O ZINC000654679562 440377847 /nfs/dbraw/zinc/37/78/47/440377847.db2.gz ZFKSLGHIJVPCNK-KGLIPLIRSA-N 1 3 327.473 0.308 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000659632618 440386019 /nfs/dbraw/zinc/38/60/19/440386019.db2.gz DGFZAXUWIOPIRF-CYBMUJFWSA-N 1 3 334.424 0.411 20 0 ECADHO COC[C@@]1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCCN1 ZINC000638139877 440461803 /nfs/dbraw/zinc/46/18/03/440461803.db2.gz PPVBOHXHUOSYFK-FUHWJXTLSA-N 1 3 338.496 0.384 20 0 ECADHO COC[C@@]1(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCCN1 ZINC000638139877 440461808 /nfs/dbraw/zinc/46/18/08/440461808.db2.gz PPVBOHXHUOSYFK-FUHWJXTLSA-N 1 3 338.496 0.384 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN ZINC000659729569 440467323 /nfs/dbraw/zinc/46/73/23/440467323.db2.gz SFRRGDNUYBBYNL-CABCVRRESA-N 1 3 326.485 0.666 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN ZINC000659729569 440467329 /nfs/dbraw/zinc/46/73/29/440467329.db2.gz SFRRGDNUYBBYNL-CABCVRRESA-N 1 3 326.485 0.666 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659735071 440470637 /nfs/dbraw/zinc/47/06/37/440470637.db2.gz CPKJQUJQHYODMZ-PMPSAXMXSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)[C@H](CN)C1 ZINC000659703288 440436482 /nfs/dbraw/zinc/43/64/82/440436482.db2.gz ZTVXQTHNPRKTJY-CJNGLKHVSA-N 1 3 336.480 0.563 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000638109614 440444933 /nfs/dbraw/zinc/44/49/33/440444933.db2.gz WDMLTTSCPZYAGE-WMLDXEAASA-N 1 3 327.469 0.759 20 0 ECADHO COc1cccc(C[C@@H](N)C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000638128962 440452001 /nfs/dbraw/zinc/45/20/01/440452001.db2.gz QAYBWBYQBFZJPC-GOSISDBHSA-N 1 3 348.491 0.707 20 0 ECADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)ccc2oc1=O ZINC000649312399 440456325 /nfs/dbraw/zinc/45/63/25/440456325.db2.gz MJPSYRMVYIYLJS-RTXFEEFZSA-N 1 3 330.388 0.845 20 0 ECADHO CCN1CCN(CCCCNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638137963 440461050 /nfs/dbraw/zinc/46/10/50/440461050.db2.gz RMTKIFNTFAVGNC-DOTOQJQBSA-N 1 3 326.485 0.287 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000659749563 440487120 /nfs/dbraw/zinc/48/71/20/440487120.db2.gz ILIBFSUGGODLET-GDBMZVCRSA-N 1 3 332.448 0.443 20 0 ECADHO [NH3+]C[C@@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000649409064 440493587 /nfs/dbraw/zinc/49/35/87/440493587.db2.gz DVXUXZDTQMRSBX-HNNXBMFYSA-N 1 3 332.452 0.186 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CCN(C)C1=O ZINC000665758881 440523642 /nfs/dbraw/zinc/52/36/42/440523642.db2.gz RXWVTOAHRSSFOP-KBPBESRZSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CCN(C)C1=O ZINC000665758881 440523646 /nfs/dbraw/zinc/52/36/46/440523646.db2.gz RXWVTOAHRSSFOP-KBPBESRZSA-N 1 3 327.473 0.131 20 0 ECADHO CO[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H]1OC ZINC000665762031 440524458 /nfs/dbraw/zinc/52/44/58/440524458.db2.gz YHIGGWSHYLFALZ-SOUVJXGZSA-N 1 3 330.473 0.314 20 0 ECADHO CO[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H]1OC ZINC000665762031 440524463 /nfs/dbraw/zinc/52/44/63/440524463.db2.gz YHIGGWSHYLFALZ-SOUVJXGZSA-N 1 3 330.473 0.314 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000638392795 440528408 /nfs/dbraw/zinc/52/84/08/440528408.db2.gz IZXWWGVYYQDLPO-GVDBMIGSSA-N 1 3 349.479 0.946 20 0 ECADHO [NH3+]C[C@@]1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CCCOC1 ZINC000638405436 440531768 /nfs/dbraw/zinc/53/17/68/440531768.db2.gz CPCCOISSCOXIEW-HKUYNNGSSA-N 1 3 347.459 0.625 20 0 ECADHO [NH3+]C1(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCOCC1 ZINC000638540054 440564898 /nfs/dbraw/zinc/56/48/98/440564898.db2.gz XWLSUFRYOFTJCE-INIZCTEOSA-N 1 3 332.448 0.918 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N[C@]3(C)CC[NH2+]C3)ccc2[nH]c1=O ZINC000638438274 440536409 /nfs/dbraw/zinc/53/64/09/440536409.db2.gz ATGVRQYWNSNUDH-QGZVFWFLSA-N 1 3 331.420 0.785 20 0 ECADHO COCCC[NH+]1CCC(NC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000644540806 440638427 /nfs/dbraw/zinc/63/84/27/440638427.db2.gz CGATZDCVQMDVPJ-NUJGCVRESA-N 1 3 343.512 0.547 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638766775 440618234 /nfs/dbraw/zinc/61/82/34/440618234.db2.gz WZMVBWQKECJPHQ-WCQYABFASA-N 1 3 331.420 0.784 20 0 ECADHO CS(=O)(=O)N1CCC[C@@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655702957 440621392 /nfs/dbraw/zinc/62/13/92/440621392.db2.gz HHPLPJWFFRJLEP-HZPDHXFCSA-N 1 3 345.509 0.643 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1)[NH+](C)C ZINC000650400162 440634736 /nfs/dbraw/zinc/63/47/36/440634736.db2.gz QFDJIJCWFQCDKT-GEEKYZPCSA-N 1 3 338.496 0.584 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1)N(C)C ZINC000650400162 440634740 /nfs/dbraw/zinc/63/47/40/440634740.db2.gz QFDJIJCWFQCDKT-GEEKYZPCSA-N 1 3 338.496 0.584 20 0 ECADHO COC[C@H](C)OC[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000644601498 440653456 /nfs/dbraw/zinc/65/34/56/440653456.db2.gz LRXHNISCQQLYTP-XOYOTBSWSA-N 1 3 344.496 0.756 20 0 ECADHO COC[C@H](C)OC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000644601498 440653459 /nfs/dbraw/zinc/65/34/59/440653459.db2.gz LRXHNISCQQLYTP-XOYOTBSWSA-N 1 3 344.496 0.756 20 0 ECADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638985611 440659939 /nfs/dbraw/zinc/65/99/39/440659939.db2.gz MBSLJXJPYCARGP-AWEZNQCLSA-N 1 3 343.353 0.972 20 0 ECADHO COCC1(C(=O)Nc2cc(N3CCNCC3)ccn2)CC[NH2+]CC1 ZINC000638983474 440660418 /nfs/dbraw/zinc/66/04/18/440660418.db2.gz AOEJULDHSVGWIK-UHFFFAOYSA-N 1 3 333.436 0.446 20 0 ECADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000666663698 440670284 /nfs/dbraw/zinc/67/02/84/440670284.db2.gz GLNZWNCUQDTTJS-UHFFFAOYSA-N 1 3 339.399 0.828 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)[C@H]1C[NH3+] ZINC000656027528 440696329 /nfs/dbraw/zinc/69/63/29/440696329.db2.gz CKRBLXZKBFRROM-WCVJEAGWSA-N 1 3 336.480 0.705 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028007 440697825 /nfs/dbraw/zinc/69/78/25/440697825.db2.gz GXWRMGRBIJXCRX-JYJNAYRXSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(N(C)C)ncn1 ZINC000666912081 440707676 /nfs/dbraw/zinc/70/76/76/440707676.db2.gz IJTPSWJATGSRCP-ZDUSSCGKSA-N 1 3 337.472 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(N(C)C)ncn1 ZINC000666912081 440707682 /nfs/dbraw/zinc/70/76/82/440707682.db2.gz IJTPSWJATGSRCP-ZDUSSCGKSA-N 1 3 337.472 0.936 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000629536862 440722954 /nfs/dbraw/zinc/72/29/54/440722954.db2.gz JPPKRFMQIQRVNC-UONOGXRCSA-N 1 3 338.452 0.535 20 0 ECADHO CN1CCN(Cc2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629555468 440727227 /nfs/dbraw/zinc/72/72/27/440727227.db2.gz JSLMVTMFNDQPCE-HXUWFJFHSA-N 1 3 346.519 0.980 20 0 ECADHO COC[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1CCOCC1 ZINC000661158943 440803624 /nfs/dbraw/zinc/80/36/24/440803624.db2.gz QIUXNFNIXBKUGK-QGZVFWFLSA-N 1 3 339.480 0.761 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCC[C@H](C)C1 ZINC000656342729 440779504 /nfs/dbraw/zinc/77/95/04/440779504.db2.gz CNGBPWVEMVUZJH-YHUYYLMFSA-N 1 3 338.496 0.679 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656343143 440780672 /nfs/dbraw/zinc/78/06/72/440780672.db2.gz LJTPMUGMXREVEX-FZKCQIBNSA-N 1 3 336.480 0.576 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656355725 440785132 /nfs/dbraw/zinc/78/51/32/440785132.db2.gz NKWWEFJVXQLXDP-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656355725 440785136 /nfs/dbraw/zinc/78/51/36/440785136.db2.gz NKWWEFJVXQLXDP-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000656358446 440790523 /nfs/dbraw/zinc/79/05/23/440790523.db2.gz KRLFSKLASWZXCI-GVDBMIGSSA-N 1 3 348.491 0.816 20 0 ECADHO COCCN(C)C[C@H](O)CN1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000639880495 440823733 /nfs/dbraw/zinc/82/37/33/440823733.db2.gz PHFUBKDGXSAARX-SJORKVTESA-N 1 3 343.512 0.501 20 0 ECADHO CO[C@@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630375436 440893732 /nfs/dbraw/zinc/89/37/32/440893732.db2.gz OORPCKFXIOGTOT-LZLYRXPVSA-N 1 3 334.464 0.410 20 0 ECADHO O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H]1CC[NH2+]C1 ZINC000646071120 440988380 /nfs/dbraw/zinc/98/83/80/440988380.db2.gz MURFXIBWSSAWNL-MAUKXSAKSA-N 1 3 328.416 0.792 20 0 ECADHO CN(C(=O)c1ccc(NC(=O)COCC[NH3+])cc1)[C@@H]1CCCN(C)C1 ZINC000646075439 440989440 /nfs/dbraw/zinc/98/94/40/440989440.db2.gz RNUOGFHNDCXPEH-MRXNPFEDSA-N 1 3 348.447 0.767 20 0 ECADHO CC[NH+]1CCC(NC(=O)Cn2cc(CNC3CCCC3)nn2)CC1 ZINC000640866554 441011463 /nfs/dbraw/zinc/01/14/63/441011463.db2.gz IRVJGSHCFGYWDE-UHFFFAOYSA-N 1 3 334.468 0.911 20 0 ECADHO O=C1CCCN1CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337037 441014942 /nfs/dbraw/zinc/01/49/42/441014942.db2.gz ILNRKBAHDGAHSD-HNNXBMFYSA-N 1 3 346.479 0.621 20 0 ECADHO COC[C@@H](CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)OC ZINC000662335958 441015375 /nfs/dbraw/zinc/01/53/75/441015375.db2.gz BJUKWJZALYGBHS-HUUCEWRRSA-N 1 3 337.468 0.660 20 0 ECADHO CCc1ccc([C@H](CNC(=O)c2cn(CC[NH3+])nn2)N(C)C)cc1 ZINC000662348051 441019751 /nfs/dbraw/zinc/01/97/51/441019751.db2.gz PUPADWMQEZPOBD-INIZCTEOSA-N 1 3 330.436 0.832 20 0 ECADHO CCO[C@@H]1CN(C(=O)NCCCCN2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652155065 441021641 /nfs/dbraw/zinc/02/16/41/441021641.db2.gz VSADHHHHSPGRJU-HZPDHXFCSA-N 1 3 341.500 0.019 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652182023 441025464 /nfs/dbraw/zinc/02/54/64/441025464.db2.gz XWORVWKFNWKORF-JYJNAYRXSA-N 1 3 342.484 0.493 20 0 ECADHO CC(C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000662479516 441053548 /nfs/dbraw/zinc/05/35/48/441053548.db2.gz KHQNMWOKRJORRK-GDBMZVCRSA-N 1 3 348.495 0.488 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657873580 441081213 /nfs/dbraw/zinc/08/12/13/441081213.db2.gz KZXLJCMNTQLVDD-MRXNPFEDSA-N 1 3 345.447 0.283 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657874152 441081227 /nfs/dbraw/zinc/08/12/27/441081227.db2.gz PGIFKGOIKGBEEC-UHFFFAOYSA-N 1 3 345.447 0.284 20 0 ECADHO CN(CC1CN(C)C1)C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000636180648 441091198 /nfs/dbraw/zinc/09/11/98/441091198.db2.gz GGWOKUNPQPNTHN-UHFFFAOYSA-N 1 3 345.447 0.937 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC1 ZINC000339669057 320995237 /nfs/dbraw/zinc/99/52/37/320995237.db2.gz NKBJLKXJDKWWPK-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000340214100 321023622 /nfs/dbraw/zinc/02/36/22/321023622.db2.gz OCCXVVWPYYIVML-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000340214100 321023624 /nfs/dbraw/zinc/02/36/24/321023624.db2.gz OCCXVVWPYYIVML-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000340219934 321024455 /nfs/dbraw/zinc/02/44/55/321024455.db2.gz MCTIZMGWLFSQHL-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000340219934 321024457 /nfs/dbraw/zinc/02/44/57/321024457.db2.gz MCTIZMGWLFSQHL-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000343141355 321124404 /nfs/dbraw/zinc/12/44/04/321124404.db2.gz HCLAPXJJBMVEGJ-ILXRZTDVSA-N 1 3 326.485 0.679 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000347120905 321232199 /nfs/dbraw/zinc/23/21/99/321232199.db2.gz ZBFQGPZEXWIPKQ-MRXNPFEDSA-N 1 3 331.464 0.969 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CCN1C ZINC000347957385 321259055 /nfs/dbraw/zinc/25/90/55/321259055.db2.gz APOYVSCGWVDYHU-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1=O ZINC000349052507 321296464 /nfs/dbraw/zinc/29/64/64/321296464.db2.gz LPYBEVOEJWKUJW-ZIAGYGMSSA-N 1 3 345.447 0.246 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1=O ZINC000351843023 321337812 /nfs/dbraw/zinc/33/78/12/321337812.db2.gz XZOZDSSUSYVDFL-CAOSSQGBSA-N 1 3 336.480 0.515 20 0 ECADHO CN(Cc1ccc(C[N@H+](C)[C@@H]2COC[C@@H]2O)cc1)[C@@H]1COC[C@@H]1O ZINC000352802728 321373445 /nfs/dbraw/zinc/37/34/45/321373445.db2.gz WJDZKJZFLZEBAN-BDXSIMOUSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)cc1)[C@@H]1COC[C@@H]1O ZINC000352802728 321373447 /nfs/dbraw/zinc/37/34/47/321373447.db2.gz WJDZKJZFLZEBAN-BDXSIMOUSA-N 1 3 336.432 0.070 20 0 ECADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353508489 321396423 /nfs/dbraw/zinc/39/64/23/321396423.db2.gz GCGBFRRQFFEPRB-JYJNAYRXSA-N 1 3 338.496 0.679 20 0 ECADHO O=C(N[C@H]1CCN(C2CC2)C1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532618210 322057510 /nfs/dbraw/zinc/05/75/10/322057510.db2.gz QXHKNFRITXOANG-USXIJHARSA-N 1 3 336.480 0.900 20 0 ECADHO CCN(CCO)CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000545305655 322109058 /nfs/dbraw/zinc/10/90/58/322109058.db2.gz ATKLPTHYYNMBNE-GOSISDBHSA-N 1 3 335.448 0.054 20 0 ECADHO CCN(CCO)CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000545305655 322109060 /nfs/dbraw/zinc/10/90/60/322109060.db2.gz ATKLPTHYYNMBNE-GOSISDBHSA-N 1 3 335.448 0.054 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCCCCC1 ZINC000555606554 322185454 /nfs/dbraw/zinc/18/54/54/322185454.db2.gz GYWMMQMABWRXBG-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000561185816 322255368 /nfs/dbraw/zinc/25/53/68/322255368.db2.gz JZAJOBQFTLZEEB-FUHWJXTLSA-N 1 3 345.491 0.711 20 0 ECADHO CN1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000562793803 322284553 /nfs/dbraw/zinc/28/45/53/322284553.db2.gz FAHOOYWKRXXFHO-MSOLQXFVSA-N 1 3 345.491 0.935 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000563621830 322334255 /nfs/dbraw/zinc/33/42/55/322334255.db2.gz ALMJGPKONYLCKH-ZIAGYGMSSA-N 1 3 346.475 0.444 20 0 ECADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000564586144 322382093 /nfs/dbraw/zinc/38/20/93/322382093.db2.gz PCXRAQIWXIDPCW-CJNGLKHVSA-N 1 3 345.447 0.201 20 0 ECADHO CSCC[C@H](N)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000564936376 322410160 /nfs/dbraw/zinc/41/01/60/322410160.db2.gz FYJXEJVTPZWGKF-OLZOCXBDSA-N 1 3 330.498 0.174 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000564935908 322410294 /nfs/dbraw/zinc/41/02/94/322410294.db2.gz GJJXWIJUOMNFKI-QWHCGFSZSA-N 1 3 327.473 0.354 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000565254563 322446582 /nfs/dbraw/zinc/44/65/82/322446582.db2.gz OZGVVYKBPRSPKZ-INIZCTEOSA-N 1 3 334.464 0.993 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000567337392 322579476 /nfs/dbraw/zinc/57/94/76/322579476.db2.gz KVZMNLWMHQCZNA-JSGCOSHPSA-N 1 3 340.468 0.064 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000569260044 322649302 /nfs/dbraw/zinc/64/93/02/322649302.db2.gz JHWVGRQJGPVBJZ-LSDHHAIUSA-N 1 3 337.468 0.062 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cnn2ccccc12 ZINC000570646298 322694624 /nfs/dbraw/zinc/69/46/24/322694624.db2.gz MEXGRPACQKOBFD-UHFFFAOYSA-N 1 3 332.452 0.969 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000570840203 322701715 /nfs/dbraw/zinc/70/17/15/322701715.db2.gz XVNGLKUJLNZCHY-UHFFFAOYSA-N 1 3 332.408 0.820 20 0 ECADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000572164196 322740475 /nfs/dbraw/zinc/74/04/75/322740475.db2.gz URILBHJEVJPCHW-UAGQMJEPSA-N 1 3 338.496 0.367 20 0 ECADHO CN1CCC(O)(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000575135562 322791542 /nfs/dbraw/zinc/79/15/42/322791542.db2.gz FGELSXNKPJIXIO-HNNXBMFYSA-N 1 3 341.521 0.777 20 0 ECADHO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000575974575 322799260 /nfs/dbraw/zinc/79/92/60/322799260.db2.gz RYKDVACFDPYDRM-INIZCTEOSA-N 1 3 336.480 0.579 20 0 ECADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000577612160 322840573 /nfs/dbraw/zinc/84/05/73/322840573.db2.gz ILAAHOCMRLLTNR-KRWDZBQOSA-N 1 3 340.431 0.901 20 0 ECADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001078018188 782147466 /nfs/dbraw/zinc/14/74/66/782147466.db2.gz RTCSXPNAMMMXQK-YSVLISHTSA-N 1 3 348.447 0.492 20 0 ECADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001078018188 782147472 /nfs/dbraw/zinc/14/74/72/782147472.db2.gz RTCSXPNAMMMXQK-YSVLISHTSA-N 1 3 348.447 0.492 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NC2CCC([NH3+])CC2)CC1=O ZINC000131727047 529103310 /nfs/dbraw/zinc/10/33/10/529103310.db2.gz TWEDGRQPZSMTEY-LMPOIIKSSA-N 1 3 336.480 0.705 20 0 ECADHO CCN1CCN(CCC(=O)Nc2ccccc2C(=O)NCC[NH3+])CC1 ZINC000262923394 535687199 /nfs/dbraw/zinc/68/71/99/535687199.db2.gz FIRVQUMHRKSYTD-UHFFFAOYSA-N 1 3 347.463 0.341 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000352963731 546146188 /nfs/dbraw/zinc/14/61/88/546146188.db2.gz XOIRKADXSRVXGI-ZDUSSCGKSA-N 1 3 327.473 0.178 20 0 ECADHO CN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccnc2)CC1(C)C ZINC000623469061 546792193 /nfs/dbraw/zinc/79/21/93/546792193.db2.gz OOGUNKYFVHYKII-CYBMUJFWSA-N 1 3 326.466 0.822 20 0 ECADHO COc1ccccc1[C@@H](CNc1nc(N)nc(N)n1)[NH+]1CCCC1 ZINC000623799592 546844514 /nfs/dbraw/zinc/84/45/14/546844514.db2.gz DVWLMMXLMAIFMD-GFCCVEGCSA-N 1 3 329.408 0.376 20 0 ECADHO Nc1nc(N)nc(N2CCC([NH2+]CCOc3ccccc3)CC2)n1 ZINC000623983641 546865491 /nfs/dbraw/zinc/86/54/91/546865491.db2.gz HREALRUNERXZLJ-UHFFFAOYSA-N 1 3 329.408 0.334 20 0 ECADHO CN(C)C[C@@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000634645469 547383287 /nfs/dbraw/zinc/38/32/87/547383287.db2.gz NRYCVJADDMMLHH-MOPGFXCFSA-N 1 3 333.476 0.886 20 0 ECADHO CN(C)C[C@@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000634645469 547383291 /nfs/dbraw/zinc/38/32/91/547383291.db2.gz NRYCVJADDMMLHH-MOPGFXCFSA-N 1 3 333.476 0.886 20 0 ECADHO CN(C)C[C@@](C)(O)CNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667337184 547503832 /nfs/dbraw/zinc/50/38/32/547503832.db2.gz ZFZDNKPTVTYTHW-KRWDZBQOSA-N 1 3 326.485 0.720 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000668584738 547692830 /nfs/dbraw/zinc/69/28/30/547692830.db2.gz DTBNRHLMGQCSOU-KKUMJFAQSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000668584738 547692832 /nfs/dbraw/zinc/69/28/32/547692832.db2.gz DTBNRHLMGQCSOU-KKUMJFAQSA-N 1 3 336.480 0.718 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668625079 547705288 /nfs/dbraw/zinc/70/52/88/547705288.db2.gz ZZMCDDXNVSMYGK-KBPBESRZSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CCO1 ZINC000669400959 547886201 /nfs/dbraw/zinc/88/62/01/547886201.db2.gz OPIOQPYDXRMCOJ-USXIJHARSA-N 1 3 334.464 0.917 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669452029 547890859 /nfs/dbraw/zinc/89/08/59/547890859.db2.gz XNHRDJPODWUXLS-HZPDHXFCSA-N 1 3 326.485 0.986 20 0 ECADHO CN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000670545827 548030171 /nfs/dbraw/zinc/03/01/71/548030171.db2.gz OVTCYXVCYDNSIM-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100929 548091156 /nfs/dbraw/zinc/09/11/56/548091156.db2.gz QREFXKVMWHWINT-OWCLPIDISA-N 1 3 334.464 0.330 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100929 548091158 /nfs/dbraw/zinc/09/11/58/548091158.db2.gz QREFXKVMWHWINT-OWCLPIDISA-N 1 3 334.464 0.330 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672013638 548255683 /nfs/dbraw/zinc/25/56/83/548255683.db2.gz FTDDDUVXYZMVRR-OFQRWUPVSA-N 1 3 338.496 0.774 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000672307907 548303434 /nfs/dbraw/zinc/30/34/34/548303434.db2.gz RIZBCQZRUUMOHM-IAGOWNOFSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000674704596 548663877 /nfs/dbraw/zinc/66/38/77/548663877.db2.gz UOQDFKVXFQPRFJ-GJZGRUSLSA-N 1 3 337.512 0.937 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)N2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000674704596 548663882 /nfs/dbraw/zinc/66/38/82/548663882.db2.gz UOQDFKVXFQPRFJ-GJZGRUSLSA-N 1 3 337.512 0.937 20 0 ECADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000675086375 548707268 /nfs/dbraw/zinc/70/72/68/548707268.db2.gz NFGJYVHGCHBCIO-HOCLYGCPSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000675086375 548707274 /nfs/dbraw/zinc/70/72/74/548707274.db2.gz NFGJYVHGCHBCIO-HOCLYGCPSA-N 1 3 337.512 0.794 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676095889 548789134 /nfs/dbraw/zinc/78/91/34/548789134.db2.gz FEGVUEHGLFLZNJ-CYBMUJFWSA-N 1 3 338.456 0.230 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676095889 548789138 /nfs/dbraw/zinc/78/91/38/548789138.db2.gz FEGVUEHGLFLZNJ-CYBMUJFWSA-N 1 3 338.456 0.230 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)CCC2=O)[C@H](C)C1 ZINC000678589449 549038681 /nfs/dbraw/zinc/03/86/81/549038681.db2.gz YKILWPTTWMKNLB-CABCVRRESA-N 1 3 325.453 0.862 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)CCC2=O)[C@H](C)C1 ZINC000678589449 549038686 /nfs/dbraw/zinc/03/86/86/549038686.db2.gz YKILWPTTWMKNLB-CABCVRRESA-N 1 3 325.453 0.862 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000680835314 549196349 /nfs/dbraw/zinc/19/63/49/549196349.db2.gz LNABJMZCSYXAQQ-GOSISDBHSA-N 1 3 347.463 0.664 20 0 ECADHO COC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000684004310 549547847 /nfs/dbraw/zinc/54/78/47/549547847.db2.gz ZAIBYQWCZCXIES-GJZGRUSLSA-N 1 3 330.473 0.315 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000685519274 549703423 /nfs/dbraw/zinc/70/34/23/549703423.db2.gz BQRXVUPUULZRRF-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000758454498 579473410 /nfs/dbraw/zinc/47/34/10/579473410.db2.gz AYWSHPABHWGUMR-HOTGVXAUSA-N 1 3 342.484 0.507 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000790592418 578876045 /nfs/dbraw/zinc/87/60/45/578876045.db2.gz XJFGOJUPVWOXOH-MRXNPFEDSA-N 1 3 333.436 0.526 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000793722066 578937586 /nfs/dbraw/zinc/93/75/86/578937586.db2.gz UQNLYDCLPKCXRH-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000793722066 578937587 /nfs/dbraw/zinc/93/75/87/578937587.db2.gz UQNLYDCLPKCXRH-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO COC(=O)C1CC[NH+](CCCNC(=O)C2(N(C)C)CCC2)CC1 ZINC000763024142 579553623 /nfs/dbraw/zinc/55/36/23/579553623.db2.gz YGTPGFZJKPYRBC-UHFFFAOYSA-N 1 3 325.453 0.862 20 0 ECADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1(O)CCN(C)CC1 ZINC000748363835 579858200 /nfs/dbraw/zinc/85/82/00/579858200.db2.gz CLKMMEITYYHQGY-HNNXBMFYSA-N 1 3 327.469 0.353 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[NH+]1CCCCC1 ZINC000841727383 588999454 /nfs/dbraw/zinc/99/94/54/588999454.db2.gz ZDUDBAUJILFKPD-GOEBONIOSA-N 1 3 349.483 0.958 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC000841933233 589006646 /nfs/dbraw/zinc/00/66/46/589006646.db2.gz LEMMGTVMRRZCRJ-KRWDZBQOSA-N 1 3 334.464 0.834 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCCCC1 ZINC000842016496 589008473 /nfs/dbraw/zinc/00/84/73/589008473.db2.gz WIMUHFXWZLORIG-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCCCC1 ZINC000842016494 589008511 /nfs/dbraw/zinc/00/85/11/589008511.db2.gz WIMUHFXWZLORIG-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CCC(C)CC1 ZINC000842139348 589013133 /nfs/dbraw/zinc/01/31/33/589013133.db2.gz UTHBVMLZOAOMIL-MAUKXSAKSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842194081 589019555 /nfs/dbraw/zinc/01/95/55/589019555.db2.gz QZQQJSHLSYGPIB-QGZVFWFLSA-N 1 3 346.475 0.795 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842232566 589023236 /nfs/dbraw/zinc/02/32/36/589023236.db2.gz ZBHMZQUVVJCFHJ-MRXNPFEDSA-N 1 3 332.448 0.357 20 0 ECADHO CCN1CCN(CCCCNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891357235 586165083 /nfs/dbraw/zinc/16/50/83/586165083.db2.gz ZRQALMVKZSSXQC-SJORKVTESA-N 1 3 337.512 0.940 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000891497887 586171453 /nfs/dbraw/zinc/17/14/53/586171453.db2.gz OYRZPQNLRSSDHD-CZUORRHYSA-N 1 3 347.463 0.609 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891579152 586178998 /nfs/dbraw/zinc/17/89/98/586178998.db2.gz DKYAQYXXUOQRGP-WKILWMFISA-N 1 3 325.501 0.831 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000892001396 586213641 /nfs/dbraw/zinc/21/36/41/586213641.db2.gz YVOGHBIMPBJTAX-AWEZNQCLSA-N 1 3 337.468 0.254 20 0 ECADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CNCCC1(F)F ZINC000892157525 586225115 /nfs/dbraw/zinc/22/51/15/586225115.db2.gz YAKGIGPQBMGYLC-NEPJUHHUSA-N 1 3 332.395 0.442 20 0 ECADHO C[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCN1c1ccncc1 ZINC000892169405 586226686 /nfs/dbraw/zinc/22/66/86/586226686.db2.gz YXINDEWXHCTCEW-HOCLYGCPSA-N 1 3 333.436 0.680 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000892482561 586268632 /nfs/dbraw/zinc/26/86/32/586268632.db2.gz YPDJCSKXFUASKC-GJZGRUSLSA-N 1 3 326.485 0.911 20 0 ECADHO CO[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000892522088 586271306 /nfs/dbraw/zinc/27/13/06/586271306.db2.gz PEEREOGHUWMNEP-INIZCTEOSA-N 1 3 340.468 0.559 20 0 ECADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000892560351 586273552 /nfs/dbraw/zinc/27/35/52/586273552.db2.gz RAOARKYCWWCIJR-JZXOWHBKSA-N 1 3 332.448 0.660 20 0 ECADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@H]1Cc2ccccc2CN1 ZINC000892793588 586290608 /nfs/dbraw/zinc/29/06/08/586290608.db2.gz NVNGGPFHOVRDFL-QZTJIDSGSA-N 1 3 346.475 0.847 20 0 ECADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@H]1Cc2ccccc2CN1 ZINC000892793588 586290609 /nfs/dbraw/zinc/29/06/09/586290609.db2.gz NVNGGPFHOVRDFL-QZTJIDSGSA-N 1 3 346.475 0.847 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000892789690 586291133 /nfs/dbraw/zinc/29/11/33/586291133.db2.gz RRDPJZUOGGJFCH-QZTJIDSGSA-N 1 3 343.475 0.390 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893384774 586327882 /nfs/dbraw/zinc/32/78/82/586327882.db2.gz ZDOZGCSTLCENNN-HZPDHXFCSA-N 1 3 326.485 0.959 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893384774 586327883 /nfs/dbraw/zinc/32/78/83/586327883.db2.gz ZDOZGCSTLCENNN-HZPDHXFCSA-N 1 3 326.485 0.959 20 0 ECADHO CN1c2ccc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cc2CCC1=O ZINC000843048135 589047804 /nfs/dbraw/zinc/04/78/04/589047804.db2.gz OYAUYDQGPLTGCO-INIZCTEOSA-N 1 3 344.459 0.883 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000894515133 586397080 /nfs/dbraw/zinc/39/70/80/586397080.db2.gz RJFWXHALHVABKZ-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000894515133 586397083 /nfs/dbraw/zinc/39/70/83/586397083.db2.gz RJFWXHALHVABKZ-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000894601846 586402883 /nfs/dbraw/zinc/40/28/83/586402883.db2.gz MQRIIMKIHDQGTD-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@H]1CCC[N@H+]1CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000894601846 586402885 /nfs/dbraw/zinc/40/28/85/586402885.db2.gz MQRIIMKIHDQGTD-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO COCCOC[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000894894723 586418179 /nfs/dbraw/zinc/41/81/79/586418179.db2.gz NGVGYVUPUBSESM-INIZCTEOSA-N 1 3 329.485 0.424 20 0 ECADHO C[C@H]1C[NH2+]C[C@@H](NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000843126673 589051860 /nfs/dbraw/zinc/05/18/60/589051860.db2.gz SOULZNSJBSAIBJ-PWSUYJOCSA-N 1 3 325.425 0.838 20 0 ECADHO COC(=O)C1CCCN(Cc2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1=O ZINC000900017175 586519090 /nfs/dbraw/zinc/51/90/90/586519090.db2.gz YDTYRZQGNFFNNF-WVMKXHBISA-N 1 3 348.403 0.979 20 0 ECADHO C[C@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC000900649365 586651341 /nfs/dbraw/zinc/65/13/41/586651341.db2.gz NODAERQBABSBQY-CQSZACIVSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC000900649365 586651342 /nfs/dbraw/zinc/65/13/42/586651342.db2.gz NODAERQBABSBQY-CQSZACIVSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)C(=O)CN(C)C1CCC1 ZINC000900649365 586651344 /nfs/dbraw/zinc/65/13/44/586651344.db2.gz NODAERQBABSBQY-CQSZACIVSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)N(C)C(=O)CN(C)C1CCC1 ZINC000900649365 586651346 /nfs/dbraw/zinc/65/13/46/586651346.db2.gz NODAERQBABSBQY-CQSZACIVSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900694370 586653674 /nfs/dbraw/zinc/65/36/74/586653674.db2.gz GQSBPEPTRKIEDX-SJLPKXTDSA-N 1 3 340.512 0.223 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900694370 586653675 /nfs/dbraw/zinc/65/36/75/586653675.db2.gz GQSBPEPTRKIEDX-SJLPKXTDSA-N 1 3 340.512 0.223 20 0 ECADHO CN1CCC[C@](O)(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000901137686 586697312 /nfs/dbraw/zinc/69/73/12/586697312.db2.gz LDCZJIUWRABMBG-WBVHZDCISA-N 1 3 327.469 0.186 20 0 ECADHO CN1CCC[C@](O)(CC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000901137686 586697315 /nfs/dbraw/zinc/69/73/15/586697315.db2.gz LDCZJIUWRABMBG-WBVHZDCISA-N 1 3 327.469 0.186 20 0 ECADHO CN(C)CCn1nccc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000901141608 586697715 /nfs/dbraw/zinc/69/77/15/586697715.db2.gz YXNWIFQIYQHBRY-OAHLLOKOSA-N 1 3 337.468 0.411 20 0 ECADHO CN(C)CCn1nccc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000901141608 586697717 /nfs/dbraw/zinc/69/77/17/586697717.db2.gz YXNWIFQIYQHBRY-OAHLLOKOSA-N 1 3 337.468 0.411 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000901163221 586699647 /nfs/dbraw/zinc/69/96/47/586699647.db2.gz RWYRQROGUMXZAD-ZMSDIMECSA-N 1 3 349.479 0.768 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NCc1ccc(F)cc1)C2 ZINC000903490619 586778832 /nfs/dbraw/zinc/77/88/32/586778832.db2.gz ADKTYYJYQWYTLP-JOQOYGCGSA-N 1 3 349.406 0.654 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)N1CCCCCC1)C2 ZINC000903491789 586779489 /nfs/dbraw/zinc/77/94/89/586779489.db2.gz AWUAIOOJKXTYIZ-FSZRXZPDSA-N 1 3 337.464 0.990 20 0 ECADHO CCN1CCC(NC(=O)CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903538639 586783650 /nfs/dbraw/zinc/78/36/50/586783650.db2.gz FRAXPNCJENBAAF-STQMWFEESA-N 1 3 336.402 0.798 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903533816 586785482 /nfs/dbraw/zinc/78/54/82/586785482.db2.gz ISAOXJZOWPLGSB-RISCZKNCSA-N 1 3 343.497 0.195 20 0 ECADHO CC(C)OCCOC[C@@H](O)CN(C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903726741 586802318 /nfs/dbraw/zinc/80/23/18/586802318.db2.gz NYZWSWQVANWKJD-DLBZAZTESA-N 1 3 344.496 0.879 20 0 ECADHO COC(=O)c1cn([C@H]2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903759102 586813168 /nfs/dbraw/zinc/81/31/68/586813168.db2.gz OQVDSIOMSPBJCF-UONOGXRCSA-N 1 3 349.435 0.470 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCNC[C@H]2c2nccn2C)cnn1C ZINC000903918426 586825456 /nfs/dbraw/zinc/82/54/56/586825456.db2.gz ZIWAPJFNURWGBY-ZBFHGGJFSA-N 1 3 331.468 0.226 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN(C)C(C)(C)CN2CCOCC2)cnn1C ZINC000903929991 586826493 /nfs/dbraw/zinc/82/64/93/586826493.db2.gz PKXASXXZENOIGS-MRXNPFEDSA-N 1 3 337.512 0.889 20 0 ECADHO Cc1c(C[C@H](CN)C[N@H+](C)C(C)(C)CN2CCOCC2)cnn1C ZINC000903929991 586826494 /nfs/dbraw/zinc/82/64/94/586826494.db2.gz PKXASXXZENOIGS-MRXNPFEDSA-N 1 3 337.512 0.889 20 0 ECADHO Cc1c(C[C@H](CN)C[N@@H+](C)C(C)(C)CN2CCOCC2)cnn1C ZINC000903929991 586826495 /nfs/dbraw/zinc/82/64/95/586826495.db2.gz PKXASXXZENOIGS-MRXNPFEDSA-N 1 3 337.512 0.889 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32CN)C1 ZINC000904976769 586852869 /nfs/dbraw/zinc/85/28/69/586852869.db2.gz YXJKREUQFMLXHQ-HDMKZQKVSA-N 1 3 336.480 0.517 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32CN)C1 ZINC000904976769 586852871 /nfs/dbraw/zinc/85/28/71/586852871.db2.gz YXJKREUQFMLXHQ-HDMKZQKVSA-N 1 3 336.480 0.517 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)C[C@]1(O)CCOC1 ZINC000905077127 586869698 /nfs/dbraw/zinc/86/96/98/586869698.db2.gz VGXSICAJVPGUEP-SJLPKXTDSA-N 1 3 338.448 0.619 20 0 ECADHO Cn1ncc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000805068764 586874883 /nfs/dbraw/zinc/87/48/83/586874883.db2.gz RFBRDSUAUUNTTI-UHFFFAOYSA-N 1 3 335.456 0.173 20 0 ECADHO CC(C)(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCCCC1 ZINC000906514670 586952518 /nfs/dbraw/zinc/95/25/18/586952518.db2.gz BPDSUAOXWADKNE-OAHLLOKOSA-N 1 3 338.496 0.955 20 0 ECADHO CC(C)(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCCCC1 ZINC000906514670 586952519 /nfs/dbraw/zinc/95/25/19/586952519.db2.gz BPDSUAOXWADKNE-OAHLLOKOSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000817766372 587383083 /nfs/dbraw/zinc/38/30/83/587383083.db2.gz FVUCFERNWCWHEP-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000817766372 587383085 /nfs/dbraw/zinc/38/30/85/587383085.db2.gz FVUCFERNWCWHEP-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000817926439 587392145 /nfs/dbraw/zinc/39/21/45/587392145.db2.gz IUQGREVOQKOBHK-KRWDZBQOSA-N 1 3 346.475 0.440 20 0 ECADHO O=C(C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000817957413 587393632 /nfs/dbraw/zinc/39/36/32/587393632.db2.gz MBYVJKGEVXKEFE-CRAIPNDOSA-N 1 3 334.464 0.428 20 0 ECADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1[nH]nc2c1CNCC2 ZINC000844172389 589098675 /nfs/dbraw/zinc/09/86/75/589098675.db2.gz WTRFDIVRSRWDRP-ZDUSSCGKSA-N 1 3 333.436 0.429 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)C(F)(F)F ZINC000820064028 587506546 /nfs/dbraw/zinc/50/65/46/587506546.db2.gz ZDJTVLSHXDDJQH-QWRGUYRKSA-N 1 3 328.379 0.481 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)C(F)(F)F ZINC000820064028 587506547 /nfs/dbraw/zinc/50/65/47/587506547.db2.gz ZDJTVLSHXDDJQH-QWRGUYRKSA-N 1 3 328.379 0.481 20 0 ECADHO CC(=O)OC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000820080596 587507617 /nfs/dbraw/zinc/50/76/17/587507617.db2.gz FTSSJOFSHLECNV-AWEZNQCLSA-N 1 3 342.484 0.996 20 0 ECADHO CC(=O)OC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000820080596 587507619 /nfs/dbraw/zinc/50/76/19/587507619.db2.gz FTSSJOFSHLECNV-AWEZNQCLSA-N 1 3 342.484 0.996 20 0 ECADHO NCc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000825627641 587953888 /nfs/dbraw/zinc/95/38/88/587953888.db2.gz OJEZRWFYCACVFU-NVXWUHKLSA-N 1 3 344.459 0.866 20 0 ECADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000826839602 588086552 /nfs/dbraw/zinc/08/65/52/588086552.db2.gz BMPWRXXDHVCCJK-GJZGRUSLSA-N 1 3 341.500 0.868 20 0 ECADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000826839602 588086554 /nfs/dbraw/zinc/08/65/54/588086554.db2.gz BMPWRXXDHVCCJK-GJZGRUSLSA-N 1 3 341.500 0.868 20 0 ECADHO CCC(C)(C(=O)NC[C@@H]1CCCN1C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000827625973 588132721 /nfs/dbraw/zinc/13/27/21/588132721.db2.gz RZAODSHSONTFHR-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CCC(C)(C(=O)NC[C@@H]1CCCN1C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000827625973 588132722 /nfs/dbraw/zinc/13/27/22/588132722.db2.gz RZAODSHSONTFHR-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCO1 ZINC000846226477 589192339 /nfs/dbraw/zinc/19/23/39/589192339.db2.gz ZBYAXFYJPPHFHC-FXUDXRNXSA-N 1 3 325.453 0.452 20 0 ECADHO COc1ccc(CCNC(=[NH2+])NC[C@@]2(O)CCN(C)C2)cc1OC ZINC000849085733 589319477 /nfs/dbraw/zinc/31/94/77/589319477.db2.gz ZKHXNFWZTXKBRO-KRWDZBQOSA-N 1 3 336.436 0.427 20 0 ECADHO C[C@H]1CN(C(=[NH2+])NCCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000849094073 589319766 /nfs/dbraw/zinc/31/97/66/589319766.db2.gz ANPWKHBHDSZLFL-UONOGXRCSA-N 1 3 325.457 0.174 20 0 ECADHO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCN(C3CC3)C2)cn1 ZINC000849507522 589338534 /nfs/dbraw/zinc/33/85/34/589338534.db2.gz DAJFAFYOILLJDQ-PVAVHDDUSA-N 1 3 331.464 0.808 20 0 ECADHO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCN(C3CC3)C2)cn1 ZINC000849507522 589338537 /nfs/dbraw/zinc/33/85/37/589338537.db2.gz DAJFAFYOILLJDQ-PVAVHDDUSA-N 1 3 331.464 0.808 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000851799836 589424613 /nfs/dbraw/zinc/42/46/13/589424613.db2.gz TXPZTVJYVPZUHF-IEBWSBKVSA-N 1 3 349.475 0.792 20 0 ECADHO N[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000852830334 589516196 /nfs/dbraw/zinc/51/61/96/589516196.db2.gz UPIBKUWNNYPPLH-JKSUJKDBSA-N 1 3 340.431 0.770 20 0 ECADHO O=C(N[C@H]1CNCCC1(F)F)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000852881596 589521374 /nfs/dbraw/zinc/52/13/74/589521374.db2.gz NFJLETHNBDDPGG-JQWIXIFHSA-N 1 3 328.367 0.320 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000853682346 589555038 /nfs/dbraw/zinc/55/50/38/589555038.db2.gz CAZNORWOEXHCMW-HOTGVXAUSA-N 1 3 341.500 0.032 20 0 ECADHO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(C)(C)C1 ZINC000866325959 589733341 /nfs/dbraw/zinc/73/33/41/589733341.db2.gz GKDMAVFAZILLBE-LBPRGKRZSA-N 1 3 328.457 0.652 20 0 ECADHO Cc1cc(NC(=O)CCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)no1 ZINC000866706930 589760119 /nfs/dbraw/zinc/76/01/19/589760119.db2.gz DCLWHXCVIFEAOU-XQQFMLRXSA-N 1 3 349.391 0.179 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCC1(C)C ZINC000867742592 589834723 /nfs/dbraw/zinc/83/47/23/589834723.db2.gz QPCVKMAYXSCITA-GOSISDBHSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCC1(C)C ZINC000867742592 589834726 /nfs/dbraw/zinc/83/47/26/589834726.db2.gz QPCVKMAYXSCITA-GOSISDBHSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000868304614 589890870 /nfs/dbraw/zinc/89/08/70/589890870.db2.gz CKFBKFQVVNAZTA-JOCQHMNTSA-N 1 3 334.420 0.419 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)C2)C1 ZINC000868417356 589904421 /nfs/dbraw/zinc/90/44/21/589904421.db2.gz DTDWXNAXAZBFSJ-RKVPGOIHSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868511660 589910795 /nfs/dbraw/zinc/91/07/95/589910795.db2.gz JVNNHBNZAJIPMH-IKGGRYGDSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868511660 589910797 /nfs/dbraw/zinc/91/07/97/589910797.db2.gz JVNNHBNZAJIPMH-IKGGRYGDSA-N 1 3 337.512 0.748 20 0 ECADHO CC(C)OC(=O)CCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549732 590022198 /nfs/dbraw/zinc/02/21/98/590022198.db2.gz QELUFSBWPCFSHM-KGLIPLIRSA-N 1 3 325.409 0.585 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CC2(CO1)CCOCC2 ZINC000872142886 590097620 /nfs/dbraw/zinc/09/76/20/590097620.db2.gz DKKKUBIAACVEJW-HOTGVXAUSA-N 1 3 339.480 0.892 20 0 ECADHO CN(CCCCCC[NH3+])C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000872196728 590103061 /nfs/dbraw/zinc/10/30/61/590103061.db2.gz SDLNHQKWXDXLEB-UHFFFAOYSA-N 1 3 326.485 0.907 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC[NH+]1CCCC1 ZINC000865159874 590127736 /nfs/dbraw/zinc/12/77/36/590127736.db2.gz SRJOSIUJKFCMHG-AWEZNQCLSA-N 1 3 342.484 0.996 20 0 ECADHO Cn1ncc2cc(C[NH2+]CCCN3CCC[C@H](C(N)=O)C3)cnc21 ZINC000865450324 590145994 /nfs/dbraw/zinc/14/59/94/590145994.db2.gz LERFMMXKGYHYKP-AWEZNQCLSA-N 1 3 330.436 0.645 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875059669 590266426 /nfs/dbraw/zinc/26/64/26/590266426.db2.gz YMWVEIVCUYQYID-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000875059669 590266428 /nfs/dbraw/zinc/26/64/28/590266428.db2.gz YMWVEIVCUYQYID-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC[C@H]21 ZINC000875179049 590278830 /nfs/dbraw/zinc/27/88/30/590278830.db2.gz ZHTFKVDHVKNRRK-BZUAXINKSA-N 1 3 334.464 0.140 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC[C@H]21 ZINC000875179049 590278832 /nfs/dbraw/zinc/27/88/32/590278832.db2.gz ZHTFKVDHVKNRRK-BZUAXINKSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000875712197 590323448 /nfs/dbraw/zinc/32/34/48/590323448.db2.gz CRXKVVDTYROVAP-NQLMQOPMSA-N 1 3 338.496 0.981 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000875712197 590323450 /nfs/dbraw/zinc/32/34/50/590323450.db2.gz CRXKVVDTYROVAP-NQLMQOPMSA-N 1 3 338.496 0.981 20 0 ECADHO C[C@@H]1CN(CC(=O)NC2CCN(C)CC2)CCN1c1cc[nH+]cc1 ZINC000880258138 590379332 /nfs/dbraw/zinc/37/93/32/590379332.db2.gz CULBMTLDLNBORJ-OAHLLOKOSA-N 1 3 331.464 0.803 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)/C=C\[C@@H]3CCC[NH2+]C3)c2)nn1 ZINC000877206551 590444856 /nfs/dbraw/zinc/44/48/56/590444856.db2.gz KFFAJZYZWFQZQT-AFNCTOJWSA-N 1 3 340.431 0.898 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3CCC[NH2+]CC3)c2)nn1 ZINC000877207538 590445154 /nfs/dbraw/zinc/44/51/54/590445154.db2.gz ZZVBKSWMNQZARW-AWEZNQCLSA-N 1 3 328.420 0.732 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@]34CCC[C@H]3[NH2+]CC4)c2)nn1 ZINC000877206758 590445183 /nfs/dbraw/zinc/44/51/83/590445183.db2.gz OXSKIUARYPVRSI-AEFFLSMTSA-N 1 3 340.431 0.874 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)NC[C@H]2Cc3ccccc3CN2)cn1 ZINC000877338878 590458941 /nfs/dbraw/zinc/45/89/41/590458941.db2.gz NUFQXAKUHAHLTH-QGZVFWFLSA-N 1 3 327.432 0.889 20 0 ECADHO CN1CCC(NC(=O)C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1 ZINC000878710222 590537541 /nfs/dbraw/zinc/53/75/41/590537541.db2.gz FBMUFHUCNYIHHK-UHFFFAOYSA-N 1 3 335.492 0.974 20 0 ECADHO COCCN(C)CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883299235 590611685 /nfs/dbraw/zinc/61/16/85/590611685.db2.gz OYKMMEQOKSZZOU-OAHLLOKOSA-N 1 3 335.452 0.880 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883607586 590630237 /nfs/dbraw/zinc/63/02/37/590630237.db2.gz ADODXGBGAFBQOS-BBRMVZONSA-N 1 3 345.447 0.373 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883607586 590630240 /nfs/dbraw/zinc/63/02/40/590630240.db2.gz ADODXGBGAFBQOS-BBRMVZONSA-N 1 3 345.447 0.373 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC000883643648 590638991 /nfs/dbraw/zinc/63/89/91/590638991.db2.gz QPGIANMFQQBEGN-HUUCEWRRSA-N 1 3 345.447 0.329 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000883645695 590640012 /nfs/dbraw/zinc/64/00/12/590640012.db2.gz SSIXVCSVZSQMHI-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884543 590642062 /nfs/dbraw/zinc/64/20/62/590642062.db2.gz DDVWLGDHOQKSEV-HUUCEWRRSA-N 1 3 338.496 0.822 20 0 ECADHO CN(C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C1(CN)CCCCC1 ZINC000883655196 590644386 /nfs/dbraw/zinc/64/43/86/590644386.db2.gz XUKQBXMJJVJIIK-CABCVRRESA-N 1 3 336.480 0.659 20 0 ECADHO CN(C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)C1(CN)CCCCC1 ZINC000883655196 590644388 /nfs/dbraw/zinc/64/43/88/590644388.db2.gz XUKQBXMJJVJIIK-CABCVRRESA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CCN1c1ccncc1 ZINC000885193226 590693896 /nfs/dbraw/zinc/69/38/96/590693896.db2.gz RKZRCPQMTCYFTI-CYBMUJFWSA-N 1 3 333.436 0.362 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885192957 590694009 /nfs/dbraw/zinc/69/40/09/590694009.db2.gz MFSPWKRHGKDXPI-ZDUSSCGKSA-N 1 3 333.436 0.362 20 0 ECADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000885281966 590703477 /nfs/dbraw/zinc/70/34/77/590703477.db2.gz ZDGWEGNIRNSRHR-CHWSQXEVSA-N 1 3 344.406 0.044 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885291282 590705598 /nfs/dbraw/zinc/70/55/98/590705598.db2.gz KJIIFVUZBXXMIT-RYUDHWBXSA-N 1 3 346.422 0.336 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCC1(C)C ZINC000885294244 590706717 /nfs/dbraw/zinc/70/67/17/590706717.db2.gz FDTSSXFHMQVTII-GFCCVEGCSA-N 1 3 346.422 0.290 20 0 ECADHO COCCN1CCC(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884198813 590771709 /nfs/dbraw/zinc/77/17/09/590771709.db2.gz HQJPJOCGHIXKJD-UHFFFAOYSA-N 1 3 347.463 0.332 20 0 ECADHO COCCN1CC[C@@H](NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000884214063 590777048 /nfs/dbraw/zinc/77/70/48/590777048.db2.gz SKLCPFWPPHCRED-GDBMZVCRSA-N 1 3 330.432 0.875 20 0 ECADHO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000884214063 590777049 /nfs/dbraw/zinc/77/70/49/590777049.db2.gz SKLCPFWPPHCRED-GDBMZVCRSA-N 1 3 330.432 0.875 20 0 ECADHO COCC[N@H+]1CC[C@@H](NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000884214063 590777050 /nfs/dbraw/zinc/77/70/50/590777050.db2.gz SKLCPFWPPHCRED-GDBMZVCRSA-N 1 3 330.432 0.875 20 0 ECADHO C[C@@H]1C[C@H](C)N(C(=O)c2ccnc(N3CCNCC3)c2)C[C@H]1C[NH3+] ZINC000884347399 590811882 /nfs/dbraw/zinc/81/18/82/590811882.db2.gz RXEAGQAJTNDZMJ-IJEWVQPXSA-N 1 3 331.464 0.937 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884554910 590856232 /nfs/dbraw/zinc/85/62/32/590856232.db2.gz GFKAMEQRZPMRIM-DZGCQCFKSA-N 1 3 334.464 0.330 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884617250 590872393 /nfs/dbraw/zinc/87/23/93/590872393.db2.gz KJYUEGFGJMAUKY-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)C1=CCN(C)CC1 ZINC000884623766 590875280 /nfs/dbraw/zinc/87/52/80/590875280.db2.gz NSSXRVLGBLIWQC-CQSZACIVSA-N 1 3 336.480 0.873 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000884631221 590878697 /nfs/dbraw/zinc/87/86/97/590878697.db2.gz BZTWGLCPSPRQTG-FZKCQIBNSA-N 1 3 334.464 0.234 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000884664008 590885767 /nfs/dbraw/zinc/88/57/67/590885767.db2.gz AMZQRDLBUWCROV-AWEZNQCLSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)C1(CN)CCCCC1)C[NH+]1CCCC1 ZINC000884669584 590887617 /nfs/dbraw/zinc/88/76/17/590887617.db2.gz AAFKWTQOPCDDOH-OAHLLOKOSA-N 1 3 338.496 0.955 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884676576 590890206 /nfs/dbraw/zinc/89/02/06/590890206.db2.gz QQJXXOYWPPCDGG-CQSZACIVSA-N 1 3 333.436 0.235 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCN1c1ccncc1 ZINC000884685282 590893299 /nfs/dbraw/zinc/89/32/99/590893299.db2.gz CNVZRBIVUTWQIV-QLFBSQMISA-N 1 3 345.447 0.505 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884702785 590901614 /nfs/dbraw/zinc/90/16/14/590901614.db2.gz KUPVCQGBSCHXFF-ZFWWWQNUSA-N 1 3 333.436 0.218 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884704662 590902563 /nfs/dbraw/zinc/90/25/63/590902563.db2.gz ONEYHWXJLMMSOP-OFQRWUPVSA-N 1 3 332.448 0.334 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884704662 590902566 /nfs/dbraw/zinc/90/25/66/590902566.db2.gz ONEYHWXJLMMSOP-OFQRWUPVSA-N 1 3 332.448 0.334 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884776624 590920104 /nfs/dbraw/zinc/92/01/04/590920104.db2.gz WPZFKENXROURJK-FPCVCCKLSA-N 1 3 334.464 0.472 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000884787557 590923407 /nfs/dbraw/zinc/92/34/07/590923407.db2.gz VNPOTCLACDUGDK-IRXDYDNUSA-N 1 3 344.459 0.418 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000884787557 590923409 /nfs/dbraw/zinc/92/34/09/590923409.db2.gz VNPOTCLACDUGDK-IRXDYDNUSA-N 1 3 344.459 0.418 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884793773 590924355 /nfs/dbraw/zinc/92/43/55/590924355.db2.gz ZWGNAWFGBBHIJZ-GDBMZVCRSA-N 1 3 347.463 0.608 20 0 ECADHO CCN(C(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000887070032 590937852 /nfs/dbraw/zinc/93/78/52/590937852.db2.gz CNXZUXGGYRWYSW-GDBMZVCRSA-N 1 3 345.447 0.329 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000887091557 590942112 /nfs/dbraw/zinc/94/21/12/590942112.db2.gz NZQKLRXDMDMAQY-KBXCAEBGSA-N 1 3 345.447 0.316 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000935699100 611395654 /nfs/dbraw/zinc/39/56/54/611395654.db2.gz MIVTYUQKMIBZTJ-OAHLLOKOSA-N 1 3 339.480 0.809 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000930490981 611434686 /nfs/dbraw/zinc/43/46/86/611434686.db2.gz JUTFWAALHVBELT-HIFRSBDPSA-N 1 3 334.464 0.282 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779619 611473033 /nfs/dbraw/zinc/47/30/33/611473033.db2.gz QSROYGKJXCPGMP-OAGGEKHMSA-N 1 3 336.480 0.387 20 0 ECADHO 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/nfs/dbraw/zinc/62/59/29/611625929.db2.gz SEKIMLGUUSXPQM-INIZCTEOSA-N 1 3 333.436 0.468 20 0 ECADHO C[NH+](C)CC(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000927847175 611641685 /nfs/dbraw/zinc/64/16/85/611641685.db2.gz HNDGAWSKNZPEIX-UHFFFAOYSA-N 1 3 328.457 0.653 20 0 ECADHO CCO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)C[NH+](C)C ZINC000927866546 611647347 /nfs/dbraw/zinc/64/73/47/611647347.db2.gz PQWWMOZNRGZQQY-HNNXBMFYSA-N 1 3 334.420 0.311 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000954325660 611679466 /nfs/dbraw/zinc/67/94/66/611679466.db2.gz LMMMMVFLKFOUBF-UHFFFAOYSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCn1cncn1 ZINC000947775920 611685792 /nfs/dbraw/zinc/68/57/92/611685792.db2.gz RTNAAXCJJPIPGG-WBVHZDCISA-N 1 3 348.495 0.979 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000938005839 609455598 /nfs/dbraw/zinc/45/55/98/609455598.db2.gz CJGCHPQDTJUCBJ-HOTGVXAUSA-N 1 3 334.464 0.141 20 0 ECADHO 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/nfs/dbraw/zinc/78/36/01/609783601.db2.gz UAEJURPNXHYZKY-DLBZAZTESA-N 1 3 346.475 0.473 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000910963580 609783663 /nfs/dbraw/zinc/78/36/63/609783663.db2.gz MAWOWVBVINDZJZ-OIISXLGYSA-N 1 3 346.475 0.910 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)Cc1ccccc1 ZINC000910963490 609783692 /nfs/dbraw/zinc/78/36/92/609783692.db2.gz RZIDZHHNKYXKAY-LTIDMASMSA-N 1 3 344.459 0.285 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@H]1C[NH3+] ZINC000910973585 609786584 /nfs/dbraw/zinc/78/65/84/609786584.db2.gz VUOHJCQFVMBFIJ-OIISXLGYSA-N 1 3 346.475 0.329 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@@H+]1C ZINC000911007435 609793592 /nfs/dbraw/zinc/79/35/92/609793592.db2.gz JTDBFIHHIXIHKT-KSZJFAHPSA-N 1 3 330.432 0.326 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[N@H+]1C ZINC000911007435 609793594 /nfs/dbraw/zinc/79/35/94/609793594.db2.gz 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N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000911214600 609827052 /nfs/dbraw/zinc/82/70/52/609827052.db2.gz IMGUOHNSUUDKEJ-XOSAIJSUSA-N 1 3 342.443 0.470 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)C(C)C ZINC000911257265 609837657 /nfs/dbraw/zinc/83/76/57/609837657.db2.gz FVXQQPYZLPHAIZ-AWEZNQCLSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911441028 609873176 /nfs/dbraw/zinc/87/31/76/609873176.db2.gz PVECZQGTGDUMDP-CRAIPNDOSA-N 1 3 338.496 0.681 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000938682012 609937000 /nfs/dbraw/zinc/93/70/00/609937000.db2.gz VJSXTEILTMAFBK-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000938682012 609937002 /nfs/dbraw/zinc/93/70/02/609937002.db2.gz VJSXTEILTMAFBK-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CCn1cc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cn1 ZINC000939208502 610114950 /nfs/dbraw/zinc/11/49/50/610114950.db2.gz CSLOOXZSVVTLLD-CZUORRHYSA-N 1 3 330.436 0.848 20 0 ECADHO CNC(=O)CN1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942289037 610381331 /nfs/dbraw/zinc/38/13/31/610381331.db2.gz USFYSMRJVFPOGR-SWLSCSKDSA-N 1 3 329.404 0.521 20 0 ECADHO CC1CC(C[NH+]2CC(N3CCN(C(=O)CN4CCCC4)CC3)C2)C1 ZINC000941668079 610458684 /nfs/dbraw/zinc/45/86/84/610458684.db2.gz FQKRLNURUPGTKH-UHFFFAOYSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000942556956 610515115 /nfs/dbraw/zinc/51/51/15/610515115.db2.gz FQDGZDFQSUKYLZ-HIFRSBDPSA-N 1 3 333.436 0.211 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000942556956 610515117 /nfs/dbraw/zinc/51/51/17/610515117.db2.gz FQDGZDFQSUKYLZ-HIFRSBDPSA-N 1 3 333.436 0.211 20 0 ECADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000942798949 610626330 /nfs/dbraw/zinc/62/63/30/610626330.db2.gz QKSKYSODYNSNNI-ZFWWWQNUSA-N 1 3 333.436 0.353 20 0 ECADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000942798949 610626333 /nfs/dbraw/zinc/62/63/33/610626333.db2.gz QKSKYSODYNSNNI-ZFWWWQNUSA-N 1 3 333.436 0.353 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000942816786 610639319 /nfs/dbraw/zinc/63/93/19/610639319.db2.gz XJXGNSOJULKQSF-VNQPRFMTSA-N 1 3 347.463 0.742 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000942816786 610639322 /nfs/dbraw/zinc/63/93/22/610639322.db2.gz XJXGNSOJULKQSF-VNQPRFMTSA-N 1 3 347.463 0.742 20 0 ECADHO CC[C@H](C(=O)N1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)N(C)C ZINC000941361526 610692132 /nfs/dbraw/zinc/69/21/32/610692132.db2.gz JZDUOBZAOHNLMP-CVEARBPZSA-N 1 3 340.512 0.974 20 0 ECADHO CN(CC(=O)N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1)C1CCC1 ZINC000941394875 610715505 /nfs/dbraw/zinc/71/55/05/610715505.db2.gz SGPSDOQNOBCCRH-UHFFFAOYSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943380602 610814383 /nfs/dbraw/zinc/81/43/83/610814383.db2.gz FYQOMBBZLOWOHF-HUUCEWRRSA-N 1 3 347.463 0.791 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943380602 610814385 /nfs/dbraw/zinc/81/43/85/610814385.db2.gz FYQOMBBZLOWOHF-HUUCEWRRSA-N 1 3 347.463 0.791 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000944081302 611117179 /nfs/dbraw/zinc/11/71/79/611117179.db2.gz QRPWIOGIUZJLJK-HZPDHXFCSA-N 1 3 348.491 0.530 20 0 ECADHO CO[C@@H]1CC[C@H]1N(C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000934126732 611770669 /nfs/dbraw/zinc/77/06/69/611770669.db2.gz KYUCXJDIMGZULG-BZUAXINKSA-N 1 3 327.469 0.569 20 0 ECADHO CO[C@@H]1CC[C@H]1N(C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000934126732 611770672 /nfs/dbraw/zinc/77/06/72/611770672.db2.gz KYUCXJDIMGZULG-BZUAXINKSA-N 1 3 327.469 0.569 20 0 ECADHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316204 611227977 /nfs/dbraw/zinc/22/79/77/611227977.db2.gz DYTJDBAQWQMVEW-VOAKCMCISA-N 1 3 337.386 0.960 20 0 ECADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@@H](O)Cc2ccccc2)C1 ZINC000923415425 611241066 /nfs/dbraw/zinc/24/10/66/611241066.db2.gz PQIMALWXJNXGBU-NXOAAHMSSA-N 1 3 331.416 0.457 20 0 ECADHO CCN1CCN(C(=O)[C@H](C)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923449059 611244521 /nfs/dbraw/zinc/24/45/21/611244521.db2.gz JXOZASBERJNPNM-HOTGVXAUSA-N 1 3 338.496 0.369 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC000946902636 611245902 /nfs/dbraw/zinc/24/59/02/611245902.db2.gz SLVLGCYIJAGAFJ-XHSDSOJGSA-N 1 3 336.480 0.517 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC000946902636 611245903 /nfs/dbraw/zinc/24/59/03/611245903.db2.gz SLVLGCYIJAGAFJ-XHSDSOJGSA-N 1 3 336.480 0.517 20 0 ECADHO COC(=O)[C@@H]1CCN(CCN2CC[NH2+]CC2)[C@@H]([C@H]2CCCO2)C1 ZINC000923554749 611260046 /nfs/dbraw/zinc/26/00/46/611260046.db2.gz OXVWUNBPXBAYJE-BZUAXINKSA-N 1 3 325.453 0.324 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946517539 611296691 /nfs/dbraw/zinc/29/66/91/611296691.db2.gz IMHDOIACEPOSLK-YVSFHVDLSA-N 1 3 348.491 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946517539 611296693 /nfs/dbraw/zinc/29/66/93/611296693.db2.gz IMHDOIACEPOSLK-YVSFHVDLSA-N 1 3 348.491 0.530 20 0 ECADHO C[NH+](C)CCOCCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922145964 611339529 /nfs/dbraw/zinc/33/95/29/611339529.db2.gz YIORGMOPIKOAKZ-OAHLLOKOSA-N 1 3 328.457 0.117 20 0 ECADHO [NH3+][C@H](C[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1)C1CCCC1 ZINC000923671586 611339772 /nfs/dbraw/zinc/33/97/72/611339772.db2.gz MOTJOEWBQIKHKJ-GDBMZVCRSA-N 1 3 344.525 0.756 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000929509870 611761124 /nfs/dbraw/zinc/76/11/24/611761124.db2.gz KWXPEJCZSZXDHJ-AWEZNQCLSA-N 1 3 336.480 0.435 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000929509870 611761126 /nfs/dbraw/zinc/76/11/26/611761126.db2.gz KWXPEJCZSZXDHJ-AWEZNQCLSA-N 1 3 336.480 0.435 20 0 ECADHO CN(CC(=O)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1)C1CCC1 ZINC000947131932 611800707 /nfs/dbraw/zinc/80/07/07/611800707.db2.gz KMIIRPSKDSUXNG-UHFFFAOYSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000951237751 612096174 /nfs/dbraw/zinc/09/61/74/612096174.db2.gz DOSHTLWTFPFEMC-LSDHHAIUSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000951421381 612222647 /nfs/dbraw/zinc/22/26/47/612222647.db2.gz OCULTUQXIAVHGV-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000953903117 612415113 /nfs/dbraw/zinc/41/51/13/612415113.db2.gz OYECPGBSJVCNPV-JKSUJKDBSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000955341083 612464262 /nfs/dbraw/zinc/46/42/62/612464262.db2.gz QXBGHMVGYDMOCS-IIAWOOMASA-N 1 3 336.480 0.480 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000955341083 612464265 /nfs/dbraw/zinc/46/42/65/612464265.db2.gz QXBGHMVGYDMOCS-IIAWOOMASA-N 1 3 336.480 0.480 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1)[NH+](C)C ZINC000955342695 612468390 /nfs/dbraw/zinc/46/83/90/612468390.db2.gz BLMMBKXUYHSPTN-WMLDXEAASA-N 1 3 338.496 0.584 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000954276738 612818158 /nfs/dbraw/zinc/81/81/58/612818158.db2.gz UQJQTXULHPRDOA-JKSUJKDBSA-N 1 3 338.496 0.869 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000954276738 612818159 /nfs/dbraw/zinc/81/81/59/612818159.db2.gz UQJQTXULHPRDOA-JKSUJKDBSA-N 1 3 338.496 0.869 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC000954411919 612896738 /nfs/dbraw/zinc/89/67/38/612896738.db2.gz XDSBJISAPUITOK-WQVCFCJDSA-N 1 3 336.480 0.336 20 0 ECADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC000954411919 612896741 /nfs/dbraw/zinc/89/67/41/612896741.db2.gz XDSBJISAPUITOK-WQVCFCJDSA-N 1 3 336.480 0.336 20 0 ECADHO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc3c(nn1)CCNC3)CC2 ZINC001164683663 719730065 /nfs/dbraw/zinc/73/00/65/719730065.db2.gz BQRTUAVPKFNLOZ-UHFFFAOYSA-N 1 3 344.463 0.303 20 0 ECADHO CNC(=O)C[N@H+]1CCCC12CCN(c1cc3c(nn1)CCNC3)CC2 ZINC001164683663 719730070 /nfs/dbraw/zinc/73/00/70/719730070.db2.gz BQRTUAVPKFNLOZ-UHFFFAOYSA-N 1 3 344.463 0.303 20 0 ECADHO CC[C@H](F)CN(CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098561033 735457407 /nfs/dbraw/zinc/45/74/07/735457407.db2.gz NOKKWHXXDVXDOP-GJZGRUSLSA-N 1 3 329.460 0.972 20 0 ECADHO CC[C@H](F)CN(CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098561033 735457410 /nfs/dbraw/zinc/45/74/10/735457410.db2.gz NOKKWHXXDVXDOP-GJZGRUSLSA-N 1 3 329.460 0.972 20 0 ECADHO CC(C)(C(=O)N1CCCC[C@H]1CN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001025037475 738522629 /nfs/dbraw/zinc/52/26/29/738522629.db2.gz FVGPZQXYSMWRRP-LSDHHAIUSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CCC[C@@H](N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC000969564286 731972184 /nfs/dbraw/zinc/97/21/84/731972184.db2.gz OUBQYDLZQUSRTM-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@@H]3CCCN(C)C3=O)C2)CC[N@@H+]1C ZINC000969721633 732083217 /nfs/dbraw/zinc/08/32/17/732083217.db2.gz IIAKVXRLBWSJBL-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@@H]3CCCN(C)C3=O)C2)CC[N@H+]1C ZINC000969721633 732083221 /nfs/dbraw/zinc/08/32/21/732083221.db2.gz IIAKVXRLBWSJBL-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO COCCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969832829 732425257 /nfs/dbraw/zinc/42/52/57/732425257.db2.gz JTCIOTIJWRZPBZ-WMLDXEAASA-N 1 3 339.480 0.713 20 0 ECADHO COCCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832829 732425260 /nfs/dbraw/zinc/42/52/60/732425260.db2.gz JTCIOTIJWRZPBZ-WMLDXEAASA-N 1 3 339.480 0.713 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC000969846392 732435660 /nfs/dbraw/zinc/43/56/60/732435660.db2.gz UYVOMSUXACMCQL-BFYDXBDKSA-N 1 3 338.496 0.679 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC000969956050 732561550 /nfs/dbraw/zinc/56/15/50/732561550.db2.gz UYRACZCSZKYKOX-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)cc1 ZINC000969965570 732564494 /nfs/dbraw/zinc/56/44/94/732564494.db2.gz SVBYDMXHMNYIIV-SJORKVTESA-N 1 3 344.459 0.483 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC000969961047 732564805 /nfs/dbraw/zinc/56/48/05/732564805.db2.gz ZIEABSYPWIIEAQ-GOEBONIOSA-N 1 3 332.448 0.418 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)C1 ZINC000969968197 732574295 /nfs/dbraw/zinc/57/42/95/732574295.db2.gz PGAFBIADMGPJLG-HUUCEWRRSA-N 1 3 346.479 0.688 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1)N(C)C ZINC000969985388 732588227 /nfs/dbraw/zinc/58/82/27/732588227.db2.gz GFIKPDYEELBVMT-ILXRZTDVSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@H]([NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1)C(N)=O ZINC001167240514 733086628 /nfs/dbraw/zinc/08/66/28/733086628.db2.gz LKECYUGAKZXJLG-AWEZNQCLSA-N 1 3 338.496 0.858 20 0 ECADHO Cn1cncc1CNC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025140806 738711948 /nfs/dbraw/zinc/71/19/48/738711948.db2.gz UQINDDTYFVCJEY-OAHLLOKOSA-N 1 3 331.464 0.987 20 0 ECADHO Cc1nc(CN[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)n[nH]1 ZINC000970446522 733543900 /nfs/dbraw/zinc/54/39/00/733543900.db2.gz CVFMYMDFJGWNRF-MRXNPFEDSA-N 1 3 346.479 0.926 20 0 ECADHO CN(C)c1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)ccn1 ZINC000970719383 733870777 /nfs/dbraw/zinc/87/07/77/733870777.db2.gz CWUDMFZPGPHRMX-MRXNPFEDSA-N 1 3 331.464 0.934 20 0 ECADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294200 734016134 /nfs/dbraw/zinc/01/61/34/734016134.db2.gz CFIHREHIIBYLLW-INMHGKMJSA-N 1 3 341.496 0.552 20 0 ECADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)C(C)C ZINC001114988433 734738116 /nfs/dbraw/zinc/73/81/16/734738116.db2.gz FJMDCKVRYZYOOX-HZMVEIRTSA-N 1 3 348.495 0.691 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC001167480600 734821824 /nfs/dbraw/zinc/82/18/24/734821824.db2.gz MWLCFBVRAJQUJS-AWEZNQCLSA-N 1 3 338.496 0.871 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC[NH+](CCc2ccnn2C)CC1 ZINC001006405298 751357095 /nfs/dbraw/zinc/35/70/95/751357095.db2.gz DHZXQWWJAWMMEL-UHFFFAOYSA-N 1 3 333.480 0.981 20 0 ECADHO CO[C@@H]1CN(CCCOC(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213368478 735880490 /nfs/dbraw/zinc/88/04/90/735880490.db2.gz BQUSICKWXJPKNK-IAGOWNOFSA-N 1 3 341.496 0.959 20 0 ECADHO O=C(N1CCO[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249453 736024199 /nfs/dbraw/zinc/02/41/99/736024199.db2.gz FVBQDZQDFGHHEM-YESZJQIVSA-N 1 3 349.475 0.420 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001167636794 736189716 /nfs/dbraw/zinc/18/97/16/736189716.db2.gz ZWQOPZQMCRGSRB-MRXNPFEDSA-N 1 3 338.496 0.871 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CCC([NH+](CCO)CCO)CC2)c1 ZINC001098572508 736277762 /nfs/dbraw/zinc/27/77/62/736277762.db2.gz LDKATLWNTUDWCI-UHFFFAOYSA-N 1 3 349.475 0.639 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001067461624 736875793 /nfs/dbraw/zinc/87/57/93/736875793.db2.gz GMCOONAQOLNEKW-HNNXBMFYSA-N 1 3 326.485 0.587 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067461624 736875795 /nfs/dbraw/zinc/87/57/95/736875795.db2.gz GMCOONAQOLNEKW-HNNXBMFYSA-N 1 3 326.485 0.587 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(CCn3cncn3)C2)CC[N@@H+]1C ZINC001023554559 736998831 /nfs/dbraw/zinc/99/88/31/736998831.db2.gz OAKRVROXKKQGBM-ULQDDVLXSA-N 1 3 348.495 0.837 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(CCn3cncn3)C2)CC[N@H+]1C ZINC001023554559 736998835 /nfs/dbraw/zinc/99/88/35/736998835.db2.gz OAKRVROXKKQGBM-ULQDDVLXSA-N 1 3 348.495 0.837 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001023891501 737461356 /nfs/dbraw/zinc/46/13/56/737461356.db2.gz QSBTUSAEGHJZEC-GOEBONIOSA-N 1 3 347.463 0.908 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC000972741818 737583712 /nfs/dbraw/zinc/58/37/12/737583712.db2.gz FGWQBTWIWPOSPX-BBRMVZONSA-N 1 3 345.447 0.525 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC000972741818 737583717 /nfs/dbraw/zinc/58/37/17/737583717.db2.gz FGWQBTWIWPOSPX-BBRMVZONSA-N 1 3 345.447 0.525 20 0 ECADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NCC(C)C)C1)N(C)C ZINC001100685025 738111824 /nfs/dbraw/zinc/11/18/24/738111824.db2.gz XAHAOOLEBPFBCP-NRXISQOPSA-N 1 3 326.485 0.583 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000973330790 739096516 /nfs/dbraw/zinc/09/65/16/739096516.db2.gz AKNKUAVHGMDRIU-OXGONZEZSA-N 1 3 336.480 0.432 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000973330790 739096519 /nfs/dbraw/zinc/09/65/19/739096519.db2.gz AKNKUAVHGMDRIU-OXGONZEZSA-N 1 3 336.480 0.432 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000973488664 739386966 /nfs/dbraw/zinc/38/69/66/739386966.db2.gz XQDCAYQBSGFIGM-PYJNHQTQSA-N 1 3 333.436 0.222 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000973488664 739386972 /nfs/dbraw/zinc/38/69/72/739386972.db2.gz XQDCAYQBSGFIGM-PYJNHQTQSA-N 1 3 333.436 0.222 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104732241 739569223 /nfs/dbraw/zinc/56/92/23/739569223.db2.gz QAKHYJMVGGSREI-HUUCEWRRSA-N 1 3 347.463 0.649 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000982012227 751461223 /nfs/dbraw/zinc/46/12/23/751461223.db2.gz SHIXGXFWMCCVLX-MRXNPFEDSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000982012227 751461225 /nfs/dbraw/zinc/46/12/25/751461225.db2.gz SHIXGXFWMCCVLX-MRXNPFEDSA-N 1 3 346.479 0.687 20 0 ECADHO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908776 740215997 /nfs/dbraw/zinc/21/59/97/740215997.db2.gz YKFLDWCORIIMQQ-LNNSNTBGSA-N 1 3 333.476 0.942 20 0 ECADHO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908776 740216001 /nfs/dbraw/zinc/21/60/01/740216001.db2.gz YKFLDWCORIIMQQ-LNNSNTBGSA-N 1 3 333.476 0.942 20 0 ECADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001100769399 740322089 /nfs/dbraw/zinc/32/20/89/740322089.db2.gz IIMQHODSXQOHQS-UHFFFAOYSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026040848 740326820 /nfs/dbraw/zinc/32/68/20/740326820.db2.gz LOTIWNLYIVFKFK-DEQQHWRFSA-N 1 3 334.464 0.138 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026040848 740326824 /nfs/dbraw/zinc/32/68/24/740326824.db2.gz LOTIWNLYIVFKFK-DEQQHWRFSA-N 1 3 334.464 0.138 20 0 ECADHO Cc1noc(CCCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001026044253 740328992 /nfs/dbraw/zinc/32/89/92/740328992.db2.gz MRHRDFJKRQCPFW-YZVFDVFRSA-N 1 3 347.463 0.555 20 0 ECADHO Cc1noc(CCCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001026044253 740328997 /nfs/dbraw/zinc/32/89/97/740328997.db2.gz MRHRDFJKRQCPFW-YZVFDVFRSA-N 1 3 347.463 0.555 20 0 ECADHO Cc1noc(CCCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001026044252 740329064 /nfs/dbraw/zinc/32/90/64/740329064.db2.gz MRHRDFJKRQCPFW-XMSFWSCYSA-N 1 3 347.463 0.555 20 0 ECADHO Cc1noc(CCCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001026044252 740329068 /nfs/dbraw/zinc/32/90/68/740329068.db2.gz MRHRDFJKRQCPFW-XMSFWSCYSA-N 1 3 347.463 0.555 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001026140089 740410015 /nfs/dbraw/zinc/41/00/15/740410015.db2.gz HFNVBHZNLYGPDG-MTSZKFMLSA-N 1 3 346.479 0.445 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C[C@H](O)c4ccc(F)cc4)C[C@H]32)C1 ZINC001026146001 740419468 /nfs/dbraw/zinc/41/94/68/740419468.db2.gz FETARINPOSEUOB-XEIOYGOASA-N 1 3 347.434 0.857 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C[C@H](O)c4ccc(F)cc4)C[C@H]32)C1 ZINC001026146001 740419469 /nfs/dbraw/zinc/41/94/69/740419469.db2.gz FETARINPOSEUOB-XEIOYGOASA-N 1 3 347.434 0.857 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001026148889 740424034 /nfs/dbraw/zinc/42/40/34/740424034.db2.gz BNIGTOTXEKYYPZ-XHWCBRGXSA-N 1 3 348.491 0.528 20 0 ECADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832521 740634392 /nfs/dbraw/zinc/63/43/92/740634392.db2.gz FERQZUFINBQARO-HZPDHXFCSA-N 1 3 338.496 0.539 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@H]([NH2+]CCn3cccn3)[C@@H]2C1 ZINC001026366469 741070204 /nfs/dbraw/zinc/07/02/04/741070204.db2.gz LIPHDZZFSQLHCC-IMJJTQAJSA-N 1 3 328.420 0.676 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974186888 741075545 /nfs/dbraw/zinc/07/55/45/741075545.db2.gz GBZRKSJBJFLJAM-YIYPIFLZSA-N 1 3 333.436 0.364 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974186888 741075548 /nfs/dbraw/zinc/07/55/48/741075548.db2.gz GBZRKSJBJFLJAM-YIYPIFLZSA-N 1 3 333.436 0.364 20 0 ECADHO O=C(N1C[C@@H]2CC[C@H](NCc3cnns3)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001026400028 741238198 /nfs/dbraw/zinc/23/81/98/741238198.db2.gz CBYKCWKDNZWHGX-QEJZJMRPSA-N 1 3 347.488 0.961 20 0 ECADHO O=C(CN1CCCC1)N1C[C@@H]2CC[C@H]([NH2+]Cc3cnns3)[C@H]2C1 ZINC001026420605 741335900 /nfs/dbraw/zinc/33/59/00/741335900.db2.gz KATZVZXPOYQGBF-QEJZJMRPSA-N 1 3 335.477 0.961 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC(N)=O)[C@@H]2C1 ZINC001026426333 741354352 /nfs/dbraw/zinc/35/43/52/741354352.db2.gz KGZJQRXVQVVTNQ-USXIJHARSA-N 1 3 344.459 0.674 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001026560957 741556346 /nfs/dbraw/zinc/55/63/46/741556346.db2.gz LGISBEOPJRPULD-NFOMZHRRSA-N 1 3 334.468 0.816 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000974410688 741639512 /nfs/dbraw/zinc/63/95/12/741639512.db2.gz SZOIELMUQLAUIF-FPCVCCKLSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000974410688 741639515 /nfs/dbraw/zinc/63/95/15/741639515.db2.gz SZOIELMUQLAUIF-FPCVCCKLSA-N 1 3 336.480 0.718 20 0 ECADHO C[NH+](C)CCCC(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105315650 741749565 /nfs/dbraw/zinc/74/95/65/741749565.db2.gz YVDLZVVJQPYWAG-UHFFFAOYSA-N 1 3 334.468 0.893 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026841450 741948034 /nfs/dbraw/zinc/94/80/34/741948034.db2.gz IBFDXUQSAJGRFU-GDBMZVCRSA-N 1 3 334.468 0.626 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026841450 741948041 /nfs/dbraw/zinc/94/80/41/741948041.db2.gz IBFDXUQSAJGRFU-GDBMZVCRSA-N 1 3 334.468 0.626 20 0 ECADHO Cn1cc(CNC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)nn1 ZINC001026972434 742218261 /nfs/dbraw/zinc/21/82/61/742218261.db2.gz GYZSQCNIFNSYCV-YOEHRIQHSA-N 1 3 346.479 0.628 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001027065375 742437297 /nfs/dbraw/zinc/43/72/97/742437297.db2.gz XJYJOWWORADLAL-CABCVRRESA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001027065375 742437300 /nfs/dbraw/zinc/43/73/00/742437300.db2.gz XJYJOWWORADLAL-CABCVRRESA-N 1 3 334.468 0.578 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001027091412 742525100 /nfs/dbraw/zinc/52/51/00/742525100.db2.gz MFSRXRIVSGFNRW-GXTWGEPZSA-N 1 3 329.408 0.169 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000975402088 742807968 /nfs/dbraw/zinc/80/79/68/742807968.db2.gz KYCLNYHYVOGDOX-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(NC[C@H]1CCN(CCO[C@@H]2CC2(F)F)C1)C12CC[NH+](CC1)C2 ZINC001028931668 742896336 /nfs/dbraw/zinc/89/63/36/742896336.db2.gz VGUHQWVHTHZXAT-ZIAGYGMSSA-N 1 3 343.418 0.945 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170239 742962626 /nfs/dbraw/zinc/96/26/26/742962626.db2.gz GBMNNCKNFUZFJM-HUUCEWRRSA-N 1 3 347.463 0.765 20 0 ECADHO COc1cncc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170239 742962629 /nfs/dbraw/zinc/96/26/29/742962629.db2.gz GBMNNCKNFUZFJM-HUUCEWRRSA-N 1 3 347.463 0.765 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC000997006595 743120795 /nfs/dbraw/zinc/12/07/95/743120795.db2.gz NCKOJYINGMUEIR-OAHLLOKOSA-N 1 3 333.480 0.885 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1)N(C)C ZINC000997014319 743133060 /nfs/dbraw/zinc/13/30/60/743133060.db2.gz HSZUMTLQEPJICO-GJZGRUSLSA-N 1 3 334.468 0.686 20 0 ECADHO CC(C)(C)N1CC[C@H]([NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000997039534 743160235 /nfs/dbraw/zinc/16/02/35/743160235.db2.gz DGPRHSJVRSJHKW-HNNXBMFYSA-N 1 3 347.463 0.932 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+][C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000997042981 743163689 /nfs/dbraw/zinc/16/36/89/743163689.db2.gz SZDRCXJKAVIKCF-INIZCTEOSA-N 1 3 345.447 0.686 20 0 ECADHO NC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001027217716 743195483 /nfs/dbraw/zinc/19/54/83/743195483.db2.gz PHBJIAKHZVUWLY-INIZCTEOSA-N 1 3 344.459 0.819 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000997236470 743386790 /nfs/dbraw/zinc/38/67/90/743386790.db2.gz RLZUGNHIMMTLIL-ZFWWWQNUSA-N 1 3 347.463 0.708 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)Cc3nc[nH]c3C)C2)CC[N@@H+]1C ZINC000997243006 743399801 /nfs/dbraw/zinc/39/98/01/743399801.db2.gz RPAZNAUDYLWOEN-DZGCQCFKSA-N 1 3 333.436 0.318 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)Cc3nc[nH]c3C)C2)CC[N@H+]1C ZINC000997243006 743399808 /nfs/dbraw/zinc/39/98/08/743399808.db2.gz RPAZNAUDYLWOEN-DZGCQCFKSA-N 1 3 333.436 0.318 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000997243021 743400014 /nfs/dbraw/zinc/40/00/14/743400014.db2.gz RWSTYVAHOARBCL-GDBMZVCRSA-N 1 3 345.447 0.605 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000997243021 743400021 /nfs/dbraw/zinc/40/00/21/743400021.db2.gz RWSTYVAHOARBCL-GDBMZVCRSA-N 1 3 345.447 0.605 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000997243582 743400378 /nfs/dbraw/zinc/40/03/78/743400378.db2.gz XWCKWKVCSPDRTH-GOEBONIOSA-N 1 3 345.447 0.605 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000997243582 743400380 /nfs/dbraw/zinc/40/03/80/743400380.db2.gz XWCKWKVCSPDRTH-GOEBONIOSA-N 1 3 345.447 0.605 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997312988 743478632 /nfs/dbraw/zinc/47/86/32/743478632.db2.gz LKQPXURMLSQTMH-ZDUSSCGKSA-N 1 3 337.424 0.119 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001020586515 751845120 /nfs/dbraw/zinc/84/51/20/751845120.db2.gz PRXPNBLCJMOPSK-ZQDZILKHSA-N 1 3 332.452 0.487 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001020586514 751845737 /nfs/dbraw/zinc/84/57/37/751845737.db2.gz PRXPNBLCJMOPSK-TUVASFSCSA-N 1 3 332.452 0.487 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC001020587796 751848823 /nfs/dbraw/zinc/84/88/23/751848823.db2.gz VCNGFFWSNQPNQH-KLHDSHLOSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)C1 ZINC001020588931 751851416 /nfs/dbraw/zinc/85/14/16/751851416.db2.gz QURATMHTQSWYEK-KBRIMQKVSA-N 1 3 344.459 0.864 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020590065 751854170 /nfs/dbraw/zinc/85/41/70/751854170.db2.gz LHPSSMXENVAMNL-ZFRZLUBXSA-N 1 3 340.443 0.324 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCc4ncnn43)C2)C1 ZINC001020590104 751854565 /nfs/dbraw/zinc/85/45/65/751854565.db2.gz MJXFPFWBBJBUCN-KBUPBQIOSA-N 1 3 332.452 0.344 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCc4ncnn43)C2)C1 ZINC001020590106 751855849 /nfs/dbraw/zinc/85/58/49/751855849.db2.gz MJXFPFWBBJBUCN-ZQDZILKHSA-N 1 3 332.452 0.344 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000998049579 743948189 /nfs/dbraw/zinc/94/81/89/743948189.db2.gz CFEZLUZJUDKNRW-ZDUSSCGKSA-N 1 3 333.436 0.401 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000998049579 743948192 /nfs/dbraw/zinc/94/81/92/743948192.db2.gz CFEZLUZJUDKNRW-ZDUSSCGKSA-N 1 3 333.436 0.401 20 0 ECADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCc3ncnn32)CC1)N(C)C ZINC000998086815 743971401 /nfs/dbraw/zinc/97/14/01/743971401.db2.gz UIDRDVQQESHRLF-HOTGVXAUSA-N 1 3 348.495 0.934 20 0 ECADHO CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000998119600 743987802 /nfs/dbraw/zinc/98/78/02/743987802.db2.gz NLNDQXSZYBQALU-OAHLLOKOSA-N 1 3 333.436 0.401 20 0 ECADHO Cn1ccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)cc1=O ZINC000998269376 744088683 /nfs/dbraw/zinc/08/86/83/744088683.db2.gz NPVMHAONDMDHFY-UHFFFAOYSA-N 1 3 346.475 0.809 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000998547854 744219334 /nfs/dbraw/zinc/21/93/34/744219334.db2.gz BCLBJYLRXLBVOA-GPANFISMSA-N 1 3 334.468 0.568 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)CCn3cncn3)C2)CC[N@@H+]1C ZINC001027416214 744267408 /nfs/dbraw/zinc/26/74/08/744267408.db2.gz BPXHRXBFYPDRHH-OWCLPIDISA-N 1 3 334.468 0.541 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)CCn3cncn3)C2)CC[N@H+]1C ZINC001027416214 744267410 /nfs/dbraw/zinc/26/74/10/744267410.db2.gz BPXHRXBFYPDRHH-OWCLPIDISA-N 1 3 334.468 0.541 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998780252 744333416 /nfs/dbraw/zinc/33/34/16/744333416.db2.gz LGYQZMYJFWKSID-DQPZFDDXSA-N 1 3 346.479 0.719 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000976867736 744423299 /nfs/dbraw/zinc/42/32/99/744423299.db2.gz MACNKEZJHRHMDB-IVFVNLKQSA-N 1 3 348.491 0.241 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000976867736 744423302 /nfs/dbraw/zinc/42/33/02/744423302.db2.gz MACNKEZJHRHMDB-IVFVNLKQSA-N 1 3 348.491 0.241 20 0 ECADHO CCn1nncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC000998995898 744456500 /nfs/dbraw/zinc/45/65/00/744456500.db2.gz VXELNKWQHQXXAI-XUJLQICISA-N 1 3 334.468 0.861 20 0 ECADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CCn3cncn3)C[C@]2(C)C1)N(C)C ZINC000982306607 751927613 /nfs/dbraw/zinc/92/76/13/751927613.db2.gz VIPFQHRDMIGYQH-NXHRZFHOSA-N 1 3 348.495 0.789 20 0 ECADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CCn3cncn3)C[C@]2(C)C1)N(C)C ZINC000982306607 751927617 /nfs/dbraw/zinc/92/76/17/751927617.db2.gz VIPFQHRDMIGYQH-NXHRZFHOSA-N 1 3 348.495 0.789 20 0 ECADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC(NCc2cnnn2C)C1 ZINC000999225719 744577213 /nfs/dbraw/zinc/57/72/13/744577213.db2.gz ZZBNVRDUDKSTQO-UHFFFAOYSA-N 1 3 334.468 0.769 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1)C1CC1 ZINC000999371002 744662075 /nfs/dbraw/zinc/66/20/75/744662075.db2.gz MIORAXYGEINGNI-RDJZCZTQSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCc3ccnn3C)C2)C1 ZINC000999409888 744682193 /nfs/dbraw/zinc/68/21/93/744682193.db2.gz ULTHYJVZRMJDPT-UQPPLGOBSA-N 1 3 333.480 0.883 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC000999473272 744715142 /nfs/dbraw/zinc/71/51/42/744715142.db2.gz LINPSRFVHRIIEN-HRDQMINSSA-N 1 3 329.408 0.310 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000977203646 744760588 /nfs/dbraw/zinc/76/05/88/744760588.db2.gz POXBJUSIKGLCPT-LEOABGAYSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000977203646 744760589 /nfs/dbraw/zinc/76/05/89/744760589.db2.gz POXBJUSIKGLCPT-LEOABGAYSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000977203258 744783121 /nfs/dbraw/zinc/78/31/21/744783121.db2.gz MLQTVQFMIOWTQA-KISBBLTOSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000977203258 744783124 /nfs/dbraw/zinc/78/31/24/744783124.db2.gz MLQTVQFMIOWTQA-KISBBLTOSA-N 1 3 348.491 0.241 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999846442 744938949 /nfs/dbraw/zinc/93/89/49/744938949.db2.gz DVLVWZCLAPNKSV-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999846442 744938952 /nfs/dbraw/zinc/93/89/52/744938952.db2.gz DVLVWZCLAPNKSV-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000983693691 745070153 /nfs/dbraw/zinc/07/01/53/745070153.db2.gz WBQWNIZPJDYVFS-BPUTZDHNSA-N 1 3 331.464 0.746 20 0 ECADHO Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CN4CCC[C@H]4CO3)C2)cn1 ZINC000983715507 745091055 /nfs/dbraw/zinc/09/10/55/745091055.db2.gz IEWJJSOILLDGOH-HJWJTTGWSA-N 1 3 347.463 0.268 20 0 ECADHO C[C@H](NCc1nncn1C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001029147593 745167153 /nfs/dbraw/zinc/16/71/53/745167153.db2.gz XLHSPYOTVGMYQM-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1nncn1C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001029147593 745167155 /nfs/dbraw/zinc/16/71/55/745167155.db2.gz XLHSPYOTVGMYQM-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO O=C(NC1(C2CC[NH+](CCO)CC2)CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001000157425 745298224 /nfs/dbraw/zinc/29/82/24/745298224.db2.gz KQHFOFYSKFXTCI-HZPDHXFCSA-N 1 3 337.464 0.203 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)n1 ZINC001000195227 745330898 /nfs/dbraw/zinc/33/08/98/745330898.db2.gz XUDIMKRDVNFRQG-PBHICJAKSA-N 1 3 348.495 0.960 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1CCc1cnn(C)c1 ZINC001088571821 751996723 /nfs/dbraw/zinc/99/67/23/751996723.db2.gz ONPVQWMHAOXRMJ-OLMNPRSZSA-N 1 3 345.491 0.883 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001000262322 745393591 /nfs/dbraw/zinc/39/35/91/745393591.db2.gz UQGIMTPEVTUHEC-BBWFWOEESA-N 1 3 344.459 0.398 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001000262322 745393595 /nfs/dbraw/zinc/39/35/95/745393595.db2.gz UQGIMTPEVTUHEC-BBWFWOEESA-N 1 3 344.459 0.398 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001020720170 752029473 /nfs/dbraw/zinc/02/94/73/752029473.db2.gz WPOBKTGVLAYDGE-YXWQFLTLSA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001020720170 752029478 /nfs/dbraw/zinc/02/94/78/752029478.db2.gz WPOBKTGVLAYDGE-YXWQFLTLSA-N 1 3 332.452 0.569 20 0 ECADHO C[N@H+](CCn1cncn1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577935 745757730 /nfs/dbraw/zinc/75/77/30/745757730.db2.gz XVSBFLFEBLWNDQ-MRXNPFEDSA-N 1 3 348.495 0.933 20 0 ECADHO C[N@@H+](CCn1cncn1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577935 745757737 /nfs/dbraw/zinc/75/77/37/745757737.db2.gz XVSBFLFEBLWNDQ-MRXNPFEDSA-N 1 3 348.495 0.933 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001020722415 752031360 /nfs/dbraw/zinc/03/13/60/752031360.db2.gz ZAEPFRTUPHVQOD-WKILWMFISA-N 1 3 346.435 0.792 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCc4cnn(C)c4)C[C@H]32)CC[N@@H+]1C ZINC001075808978 745834110 /nfs/dbraw/zinc/83/41/10/745834110.db2.gz MXCYVACOHMTADL-BZZMCLGOSA-N 1 3 345.491 0.836 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCc4cnn(C)c4)C[C@H]32)CC[N@H+]1C ZINC001075808978 745834118 /nfs/dbraw/zinc/83/41/18/745834118.db2.gz MXCYVACOHMTADL-BZZMCLGOSA-N 1 3 345.491 0.836 20 0 ECADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001000992588 745957970 /nfs/dbraw/zinc/95/79/70/745957970.db2.gz NTLMYCOJGOUUKC-ZFWWWQNUSA-N 1 3 332.448 0.816 20 0 ECADHO C[NH+]1CCC(C(=O)NCC2=CCN(CCn3cccn3)CC2)CC1 ZINC001001111757 746085359 /nfs/dbraw/zinc/08/53/59/746085359.db2.gz YTEPHFXLEYHQSR-UHFFFAOYSA-N 1 3 331.464 0.973 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001059351950 746179035 /nfs/dbraw/zinc/17/90/35/746179035.db2.gz LYGKNJHFBVIRER-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000984408973 746408920 /nfs/dbraw/zinc/40/89/20/746408920.db2.gz RUUCVLHCEIHEAL-GDBMZVCRSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000984408973 746408924 /nfs/dbraw/zinc/40/89/24/746408924.db2.gz RUUCVLHCEIHEAL-GDBMZVCRSA-N 1 3 347.463 0.743 20 0 ECADHO O=C(NCC1CC[NH+](CCCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001001644684 746566993 /nfs/dbraw/zinc/56/69/93/746566993.db2.gz AMWGIKHDRIXKDD-UPTPFMHGSA-N 1 3 337.464 0.060 20 0 ECADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001075906171 752135606 /nfs/dbraw/zinc/13/56/06/752135606.db2.gz HTCRELHNEUEFFS-YESZJQIVSA-N 1 3 346.479 0.685 20 0 ECADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001075906171 752135611 /nfs/dbraw/zinc/13/56/11/752135611.db2.gz HTCRELHNEUEFFS-YESZJQIVSA-N 1 3 346.479 0.685 20 0 ECADHO CCN1CC[C@H](N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002122250 747003597 /nfs/dbraw/zinc/00/35/97/747003597.db2.gz BFAHJJLUFFOXNC-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CC[C@H](N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002122250 747003601 /nfs/dbraw/zinc/00/36/01/747003601.db2.gz BFAHJJLUFFOXNC-CVEARBPZSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001002170525 747050301 /nfs/dbraw/zinc/05/03/01/747050301.db2.gz QIPOJJQVDVVCTF-JKSUJKDBSA-N 1 3 345.447 0.544 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001002170525 747050308 /nfs/dbraw/zinc/05/03/08/747050308.db2.gz QIPOJJQVDVVCTF-JKSUJKDBSA-N 1 3 345.447 0.544 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000985031277 747288252 /nfs/dbraw/zinc/28/82/52/747288252.db2.gz IKJASXHPUYPZGX-IIAWOOMASA-N 1 3 347.463 0.811 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985031277 747288257 /nfs/dbraw/zinc/28/82/57/747288257.db2.gz IKJASXHPUYPZGX-IIAWOOMASA-N 1 3 347.463 0.811 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000985120838 747410020 /nfs/dbraw/zinc/41/00/20/747410020.db2.gz ZEIZNJAWVDHZAN-YDHLFZDLSA-N 1 3 333.436 0.421 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985120838 747410025 /nfs/dbraw/zinc/41/00/25/747410025.db2.gz ZEIZNJAWVDHZAN-YDHLFZDLSA-N 1 3 333.436 0.421 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccn(C)c(=O)c2)CC1 ZINC000985328949 747719929 /nfs/dbraw/zinc/71/99/29/747719929.db2.gz ZNKXNMZGKBWAKL-QGZVFWFLSA-N 1 3 346.475 0.902 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2ccn(C)c(=O)c2)CC1 ZINC000985328949 747719931 /nfs/dbraw/zinc/71/99/31/747719931.db2.gz ZNKXNMZGKBWAKL-QGZVFWFLSA-N 1 3 346.475 0.902 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001112182061 747796780 /nfs/dbraw/zinc/79/67/80/747796780.db2.gz MLPHPQHRWDLHKF-IJLUTSLNSA-N 1 3 325.375 0.688 20 0 ECADHO CC[C@H](C(=O)N1CCC(CO[C@H]2CC[N@H+](CCO)C2)CC1)N(C)C ZINC001088235324 747814693 /nfs/dbraw/zinc/81/46/93/747814693.db2.gz PDWADRZKTLVWGX-DLBZAZTESA-N 1 3 341.496 0.648 20 0 ECADHO CC[C@H](C(=O)N1CCC(CO[C@H]2CC[N@@H+](CCO)C2)CC1)N(C)C ZINC001088235324 747814702 /nfs/dbraw/zinc/81/47/02/747814702.db2.gz PDWADRZKTLVWGX-DLBZAZTESA-N 1 3 341.496 0.648 20 0 ECADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000985471006 748201611 /nfs/dbraw/zinc/20/16/11/748201611.db2.gz SIZWGGCUOISPGH-KRWDZBQOSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCCNC3=O)C2)CCC1 ZINC001029756201 748265886 /nfs/dbraw/zinc/26/58/86/748265886.db2.gz RTFWZFBBZAUBQI-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)[C@@H]3CCCNC3=O)C2)CCC1 ZINC001029756201 748265892 /nfs/dbraw/zinc/26/58/92/748265892.db2.gz RTFWZFBBZAUBQI-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCCCN3C)CC2)C1=O ZINC000985502673 748331456 /nfs/dbraw/zinc/33/14/56/748331456.db2.gz RNPKPFSIALFVDK-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CCCCN3C)CC2)C1=O ZINC000985502673 748331465 /nfs/dbraw/zinc/33/14/65/748331465.db2.gz RNPKPFSIALFVDK-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518746 748381690 /nfs/dbraw/zinc/38/16/90/748381690.db2.gz WYPPOGMSHVJTSD-INIZCTEOSA-N 1 3 348.491 0.768 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001003336209 748439771 /nfs/dbraw/zinc/43/97/71/748439771.db2.gz CNGODRNRPMKKKD-INIZCTEOSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001003375019 748483214 /nfs/dbraw/zinc/48/32/14/748483214.db2.gz GVPRNDDMVYFCSK-KRWDZBQOSA-N 1 3 346.479 0.733 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)CCC[NH+](C)C ZINC001067626167 748506208 /nfs/dbraw/zinc/50/62/08/748506208.db2.gz AAELUAFZNDGOHD-UHFFFAOYSA-N 1 3 328.501 0.975 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112530479 748622649 /nfs/dbraw/zinc/62/26/49/748622649.db2.gz WTKYUSDTNVEQKG-KSSFIOAISA-N 1 3 336.480 0.422 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088325326 748726834 /nfs/dbraw/zinc/72/68/34/748726834.db2.gz NQWBMDJFPUKHRW-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088325326 748726836 /nfs/dbraw/zinc/72/68/36/748726836.db2.gz NQWBMDJFPUKHRW-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001003627516 748740655 /nfs/dbraw/zinc/74/06/55/748740655.db2.gz FWMCBRWHCGAJKW-GDBMZVCRSA-N 1 3 346.479 0.830 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)CCn2cncn2)CC1 ZINC000985647015 748789818 /nfs/dbraw/zinc/78/98/18/748789818.db2.gz NIHVKKQKHPHLBH-HNNXBMFYSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1 ZINC000985647015 748789819 /nfs/dbraw/zinc/78/98/19/748789819.db2.gz NIHVKKQKHPHLBH-HNNXBMFYSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985646770 748790463 /nfs/dbraw/zinc/79/04/63/748790463.db2.gz KZCOEFZLYCONOA-ZBFHGGJFSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985646770 748790466 /nfs/dbraw/zinc/79/04/66/748790466.db2.gz KZCOEFZLYCONOA-ZBFHGGJFSA-N 1 3 336.480 0.624 20 0 ECADHO C[N@H+](CCN1C(=O)CCC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674436 748850181 /nfs/dbraw/zinc/85/01/81/748850181.db2.gz CSEYUCPWFUWQDP-UHFFFAOYSA-N 1 3 347.419 0.024 20 0 ECADHO C[N@@H+](CCN1C(=O)CCC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674436 748850183 /nfs/dbraw/zinc/85/01/83/748850183.db2.gz CSEYUCPWFUWQDP-UHFFFAOYSA-N 1 3 347.419 0.024 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000980065914 748894396 /nfs/dbraw/zinc/89/43/96/748894396.db2.gz NXPUXIWHXJSRNQ-BZUAXINKSA-N 1 3 348.491 0.435 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC001003786970 748894621 /nfs/dbraw/zinc/89/46/21/748894621.db2.gz KBLYLWDXRSRGOT-BPUTZDHNSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC001003786970 748894622 /nfs/dbraw/zinc/89/46/22/748894622.db2.gz KBLYLWDXRSRGOT-BPUTZDHNSA-N 1 3 336.480 0.386 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088367890 748923176 /nfs/dbraw/zinc/92/31/76/748923176.db2.gz WDELBASSGMGWAV-JKSUJKDBSA-N 1 3 338.496 0.955 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088367890 748923180 /nfs/dbraw/zinc/92/31/80/748923180.db2.gz WDELBASSGMGWAV-JKSUJKDBSA-N 1 3 338.496 0.955 20 0 ECADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@H]2C1)[NH+]1CCCC1 ZINC000980166101 749100461 /nfs/dbraw/zinc/10/04/61/749100461.db2.gz DXASJDRDQUFOMK-RBSFLKMASA-N 1 3 336.480 0.563 20 0 ECADHO O=C(NC[C@@H]1CCCN1CCn1cccn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886681 749113692 /nfs/dbraw/zinc/11/36/92/749113692.db2.gz WACRDKKXYCNRLO-DLBZAZTESA-N 1 3 331.464 0.806 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@@H]3CN(CC(N)=O)C[C@@H]3C2)CC1 ZINC000980183562 749131360 /nfs/dbraw/zinc/13/13/60/749131360.db2.gz HAZQXRUMLAISDS-OWCLPIDISA-N 1 3 336.480 0.420 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCCNC1=O ZINC001029887300 749406102 /nfs/dbraw/zinc/40/61/02/749406102.db2.gz AEXYHCPSTBIPAW-GJZGRUSLSA-N 1 3 334.464 0.141 20 0 ECADHO CN1CCC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029905104 749537960 /nfs/dbraw/zinc/53/79/60/749537960.db2.gz HSHGANFLMDDPAX-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029905104 749537963 /nfs/dbraw/zinc/53/79/63/749537963.db2.gz HSHGANFLMDDPAX-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)[C@@H]1CCNC1=O ZINC001029909686 749564420 /nfs/dbraw/zinc/56/44/20/749564420.db2.gz PNBWZKIKQWZOAM-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)[C@H]1CCNC1=O ZINC001029909682 749564655 /nfs/dbraw/zinc/56/46/55/749564655.db2.gz PNBWZKIKQWZOAM-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001004995033 750117184 /nfs/dbraw/zinc/11/71/84/750117184.db2.gz YSPUNEKBBJWYCN-BBRMVZONSA-N 1 3 347.463 0.647 20 0 ECADHO CN(CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)[C@@H]1CCNC1=O ZINC001029966086 750121946 /nfs/dbraw/zinc/12/19/46/750121946.db2.gz SETXNOCARUHALW-IAGOWNOFSA-N 1 3 348.491 0.387 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1)C1CC1 ZINC001029971242 750155298 /nfs/dbraw/zinc/15/52/98/750155298.db2.gz SPHHXPQCBZHPHJ-HOTGVXAUSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1)C1CC1 ZINC001029971242 750155302 /nfs/dbraw/zinc/15/53/02/750155302.db2.gz SPHHXPQCBZHPHJ-HOTGVXAUSA-N 1 3 336.480 0.386 20 0 ECADHO COCC[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005740740 750577768 /nfs/dbraw/zinc/57/77/68/750577768.db2.gz ILGUXBSADUKIEG-HQVVEAJESA-N 1 3 337.464 0.419 20 0 ECADHO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256487 750635611 /nfs/dbraw/zinc/63/56/11/750635611.db2.gz SPPPAEHEQLRPJH-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256483 750635827 /nfs/dbraw/zinc/63/58/27/750635827.db2.gz SPPPAEHEQLRPJH-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001075887449 750742221 /nfs/dbraw/zinc/74/22/21/750742221.db2.gz NOXHIXSVBCHYQB-NUEKZKHPSA-N 1 3 334.464 0.282 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001075887449 750742227 /nfs/dbraw/zinc/74/22/27/750742227.db2.gz NOXHIXSVBCHYQB-NUEKZKHPSA-N 1 3 334.464 0.282 20 0 ECADHO C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006135475 751059308 /nfs/dbraw/zinc/05/93/08/751059308.db2.gz CFXRGZTTZZNDHG-BLLLJJGKSA-N 1 3 345.447 0.257 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001020928733 752350672 /nfs/dbraw/zinc/35/06/72/752350672.db2.gz KUXYIFBTJAMACB-IHRRRGAJSA-N 1 3 349.431 0.727 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001020928733 752350681 /nfs/dbraw/zinc/35/06/81/752350681.db2.gz KUXYIFBTJAMACB-IHRRRGAJSA-N 1 3 349.431 0.727 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020934178 752359201 /nfs/dbraw/zinc/35/92/01/752359201.db2.gz PCHKBGFMNDDXGD-HDJSIYSDSA-N 1 3 332.452 0.439 20 0 ECADHO CN(CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000988660337 752507528 /nfs/dbraw/zinc/50/75/28/752507528.db2.gz RMKGVKPZENDSKP-OAHLLOKOSA-N 1 3 347.463 0.601 20 0 ECADHO CN(CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000988660337 752507529 /nfs/dbraw/zinc/50/75/29/752507529.db2.gz RMKGVKPZENDSKP-OAHLLOKOSA-N 1 3 347.463 0.601 20 0 ECADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001021094380 752534586 /nfs/dbraw/zinc/53/45/86/752534586.db2.gz PNSBYNWDUFBUTO-DZKIICNBSA-N 1 3 332.448 0.863 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001021094565 752534664 /nfs/dbraw/zinc/53/46/64/752534664.db2.gz TZKYRCALABARRA-DZKIICNBSA-N 1 3 330.432 0.487 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988956287 753075975 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CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049097228 757950569 /nfs/dbraw/zinc/95/05/69/757950569.db2.gz IOXLEXZTZZBHHK-YVSFHVDLSA-N 1 3 348.491 0.528 20 0 ECADHO CN(C)[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1)C1CC1 ZINC001051653934 762599170 /nfs/dbraw/zinc/59/91/70/762599170.db2.gz CDTQYAWOXOPYBV-SJORKVTESA-N 1 3 332.448 0.739 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CCO2)cn1 ZINC001051654870 762604935 /nfs/dbraw/zinc/60/49/35/762604935.db2.gz VYSSPWFYWUKSJJ-SJORKVTESA-N 1 3 347.463 0.442 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011645474 758201468 /nfs/dbraw/zinc/20/14/68/758201468.db2.gz CXQDIZCFIODVED-DOTOQJQBSA-N 1 3 338.496 0.585 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011645474 758201477 /nfs/dbraw/zinc/20/14/77/758201477.db2.gz CXQDIZCFIODVED-DOTOQJQBSA-N 1 3 338.496 0.585 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 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ZINC001012111786 759428254 /nfs/dbraw/zinc/42/82/54/759428254.db2.gz FJGKWFUPGQSCBA-OAHLLOKOSA-N 1 3 347.463 0.745 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001012111786 759428258 /nfs/dbraw/zinc/42/82/58/759428258.db2.gz FJGKWFUPGQSCBA-OAHLLOKOSA-N 1 3 347.463 0.745 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@@H+]1C ZINC001012151171 759457838 /nfs/dbraw/zinc/45/78/38/759457838.db2.gz IQFYHTABUSRHSW-KBPBESRZSA-N 1 3 333.436 0.353 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@H+]1C ZINC001012151171 759457841 /nfs/dbraw/zinc/45/78/41/759457841.db2.gz IQFYHTABUSRHSW-KBPBESRZSA-N 1 3 333.436 0.353 20 0 ECADHO C[C@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047958920 759748731 /nfs/dbraw/zinc/74/87/31/759748731.db2.gz IVOWAYWPBGWFQI-DZGCQCFKSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047960551 759750023 /nfs/dbraw/zinc/75/00/23/759750023.db2.gz UCCZSOJIJFOQLC-UKRRQHHQSA-N 1 3 334.468 0.484 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000911518489 760349038 /nfs/dbraw/zinc/34/90/38/760349038.db2.gz XVANJXJZACECSB-DJIMGWMZSA-N 1 3 342.443 0.424 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050553938 760483969 /nfs/dbraw/zinc/48/39/69/760483969.db2.gz NCMFIWJPUYUQFI-GJZGRUSLSA-N 1 3 338.496 0.761 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNCc1cnns1 ZINC001048442583 760537686 /nfs/dbraw/zinc/53/76/86/760537686.db2.gz WBUYITUFBBMMKQ-OLZOCXBDSA-N 1 3 335.477 0.818 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNCc1ccn(C)n1 ZINC001048442155 760537978 /nfs/dbraw/zinc/53/79/78/760537978.db2.gz ULXAYXJXZXGCOO-GJZGRUSLSA-N 1 3 331.464 0.700 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CNCc1cn(C)nn1 ZINC001048478443 760592226 /nfs/dbraw/zinc/59/22/26/760592226.db2.gz GMDFKVLRDKYMKF-HZPDHXFCSA-N 1 3 348.495 0.875 20 0 ECADHO CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655003 760641291 /nfs/dbraw/zinc/64/12/91/760641291.db2.gz QFOLVQQPVCRFDU-PLQZLIEUSA-N 1 3 337.464 0.057 20 0 ECADHO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655003 760641297 /nfs/dbraw/zinc/64/12/97/760641297.db2.gz QFOLVQQPVCRFDU-PLQZLIEUSA-N 1 3 337.464 0.057 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CCn1cncn1)CC2)N(C)C ZINC001050669347 760649132 /nfs/dbraw/zinc/64/91/32/760649132.db2.gz YGOXSLYYHSTNLF-HNNXBMFYSA-N 1 3 334.468 0.543 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048524888 760662735 /nfs/dbraw/zinc/66/27/35/760662735.db2.gz DNWXVIZKPYOYLC-OVYGPGRDSA-N 1 3 348.491 0.705 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048524888 760662740 /nfs/dbraw/zinc/66/27/40/760662740.db2.gz DNWXVIZKPYOYLC-OVYGPGRDSA-N 1 3 348.491 0.705 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)CC[N@@H+]1C ZINC001048529939 760667402 /nfs/dbraw/zinc/66/74/02/760667402.db2.gz YTKAJEZYTOCZLE-XFIYOXNOSA-N 1 3 336.480 0.561 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)CC[N@H+]1C ZINC001048529939 760667409 /nfs/dbraw/zinc/66/74/09/760667409.db2.gz YTKAJEZYTOCZLE-XFIYOXNOSA-N 1 3 336.480 0.561 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CC3(C2)CCN([C@@H]2CCNC2=O)CC3)CC1 ZINC001050687962 760669852 /nfs/dbraw/zinc/66/98/52/760669852.db2.gz UQLLNEWZMRRNBU-MRXNPFEDSA-N 1 3 348.491 0.531 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001127066789 760706423 /nfs/dbraw/zinc/70/64/23/760706423.db2.gz SEJQKNUJHVKZFP-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001127066789 760706429 /nfs/dbraw/zinc/70/64/29/760706429.db2.gz SEJQKNUJHVKZFP-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(CC(=O)N1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C(C)(C)C1)C1CCC1 ZINC000995921785 760781140 /nfs/dbraw/zinc/78/11/40/760781140.db2.gz YIYGOVBIPJOPFK-CABCVRRESA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000991476285 761114263 /nfs/dbraw/zinc/11/42/63/761114263.db2.gz BRJCUQKPVUFCJN-HNNXBMFYSA-N 1 3 334.464 0.282 20 0 ECADHO CN(C)C1(C(=O)N2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CCC1 ZINC001017464648 768013666 /nfs/dbraw/zinc/01/36/66/768013666.db2.gz JSYJGJHDTACUCC-MRXNPFEDSA-N 1 3 348.491 0.697 20 0 ECADHO CN(C)C1(C(=O)N2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CCC1 ZINC001017464648 768013673 /nfs/dbraw/zinc/01/36/73/768013673.db2.gz JSYJGJHDTACUCC-MRXNPFEDSA-N 1 3 348.491 0.697 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246857 768011480 /nfs/dbraw/zinc/01/14/80/768011480.db2.gz SKHDFDVEZKLFIC-HUUCEWRRSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC001017487351 768052754 /nfs/dbraw/zinc/05/27/54/768052754.db2.gz NKFVZDDAUWEGAK-OIISXLGYSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC001017487351 768052759 /nfs/dbraw/zinc/05/27/59/768052759.db2.gz NKFVZDDAUWEGAK-OIISXLGYSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@H](F)CCN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014475458 762731921 /nfs/dbraw/zinc/73/19/21/762731921.db2.gz WYXFDDZWOIMMIE-KBPBESRZSA-N 1 3 325.432 0.997 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051722489 762795867 /nfs/dbraw/zinc/79/58/67/762795867.db2.gz LXIXBXKAJQGSBX-NDUQDZPOSA-N 1 3 335.448 0.077 20 0 ECADHO C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(CCCN2CCCC2=O)C1 ZINC001046776630 763107356 /nfs/dbraw/zinc/10/73/56/763107356.db2.gz GQYPNVNGPZWUGN-GOSISDBHSA-N 1 3 348.491 0.675 20 0 ECADHO Cc1noc(CCCN2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001046831233 763191278 /nfs/dbraw/zinc/19/12/78/763191278.db2.gz HYMJEVSFTPOKLD-PBHICJAKSA-N 1 3 335.452 0.843 20 0 ECADHO Cc1noc(CCCN2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001046831233 763191280 /nfs/dbraw/zinc/19/12/80/763191280.db2.gz HYMJEVSFTPOKLD-PBHICJAKSA-N 1 3 335.452 0.843 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051902210 763277388 /nfs/dbraw/zinc/27/73/88/763277388.db2.gz XVKRHIDUEPBYFV-ZBFHGGJFSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051902210 763277396 /nfs/dbraw/zinc/27/73/96/763277396.db2.gz XVKRHIDUEPBYFV-ZBFHGGJFSA-N 1 3 335.452 0.079 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051902390 763279760 /nfs/dbraw/zinc/27/97/60/763279760.db2.gz DMZFXUPTFAQNMM-NVXWUHKLSA-N 1 3 347.463 0.444 20 0 ECADHO Cc1ncc(CNC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051902390 763279766 /nfs/dbraw/zinc/27/97/66/763279766.db2.gz DMZFXUPTFAQNMM-NVXWUHKLSA-N 1 3 347.463 0.444 20 0 ECADHO Cc1cc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)sn1 ZINC001051932438 763373896 /nfs/dbraw/zinc/37/38/96/763373896.db2.gz QKQCPZUJNMEVIM-KBPBESRZSA-N 1 3 338.477 0.720 20 0 ECADHO Cc1cc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)sn1 ZINC001051932438 763373906 /nfs/dbraw/zinc/37/39/06/763373906.db2.gz QKQCPZUJNMEVIM-KBPBESRZSA-N 1 3 338.477 0.720 20 0 ECADHO C[C@@H](O)CN1CCC(F)(F)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046990213 763523601 /nfs/dbraw/zinc/52/36/01/763523601.db2.gz NUJVVFMILHLVMY-OLZOCXBDSA-N 1 3 331.407 0.536 20 0 ECADHO C[C@@H](O)CN1CCC(F)(F)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046990212 763523847 /nfs/dbraw/zinc/52/38/47/763523847.db2.gz NUJVVFMILHLVMY-CHWSQXEVSA-N 1 3 331.407 0.536 20 0 ECADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127705754 763660943 /nfs/dbraw/zinc/66/09/43/763660943.db2.gz FFEUZPOFRKBKCM-QLFBSQMISA-N 1 3 326.485 0.727 20 0 ECADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127705754 763660944 /nfs/dbraw/zinc/66/09/44/763660944.db2.gz FFEUZPOFRKBKCM-QLFBSQMISA-N 1 3 326.485 0.727 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC)[C@H](C)C1 ZINC001106340123 768164831 /nfs/dbraw/zinc/16/48/31/768164831.db2.gz MEYDZUUKZCJYQD-MGPQQGTHSA-N 1 3 326.485 0.535 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106340259 768164852 /nfs/dbraw/zinc/16/48/52/768164852.db2.gz QMTDKUPKKDGQPZ-ZIAGYGMSSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1C(=O)Cc1c[nH]cn1 ZINC001015084290 763846452 /nfs/dbraw/zinc/84/64/52/763846452.db2.gz KFOMVAQDKKTYFC-UKRRQHHQSA-N 1 3 345.447 0.544 20 0 ECADHO CC(C)(C(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCCCC1 ZINC000991850750 763981765 /nfs/dbraw/zinc/98/17/65/763981765.db2.gz PPURPPDQJORFIT-UHFFFAOYSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000991891067 764404576 /nfs/dbraw/zinc/40/45/76/764404576.db2.gz SRLHTCMDUIIHRH-HOTGVXAUSA-N 1 3 336.480 0.241 20 0 ECADHO CC(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463322 764419662 /nfs/dbraw/zinc/41/96/62/764419662.db2.gz CORJVHXEQIIZPX-XJADACSNSA-N 1 3 337.464 0.009 20 0 ECADHO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001047463322 764419667 /nfs/dbraw/zinc/41/96/67/764419667.db2.gz CORJVHXEQIIZPX-XJADACSNSA-N 1 3 337.464 0.009 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991893995 764456953 /nfs/dbraw/zinc/45/69/53/764456953.db2.gz NNVFAIBBINALPE-INIZCTEOSA-N 1 3 348.491 0.387 20 0 ECADHO CN1CC[C@@H](N2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001052680338 764987273 /nfs/dbraw/zinc/98/72/73/764987273.db2.gz JBJXVDWBOLFJTG-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001052783818 765114749 /nfs/dbraw/zinc/11/47/49/765114749.db2.gz UHNHTWPONMXFIG-GJZGRUSLSA-N 1 3 326.485 0.489 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001077496942 765674462 /nfs/dbraw/zinc/67/44/62/765674462.db2.gz 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C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001053357383 766026105 /nfs/dbraw/zinc/02/61/05/766026105.db2.gz TWNYDXOILDPOEV-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000992241025 766031731 /nfs/dbraw/zinc/03/17/31/766031731.db2.gz PHWYUCDRZXSQDQ-FHERZECASA-N 1 3 348.491 0.578 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089589022 766354513 /nfs/dbraw/zinc/35/45/13/766354513.db2.gz DGPRKCHXYIFQEG-PBHICJAKSA-N 1 3 346.479 0.893 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](n3cc(CNCC4CC4)nn3)C2)C1 ZINC001089589022 766354524 /nfs/dbraw/zinc/35/45/24/766354524.db2.gz DGPRKCHXYIFQEG-PBHICJAKSA-N 1 3 346.479 0.893 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001016530987 766446565 /nfs/dbraw/zinc/44/65/65/766446565.db2.gz HBDXGMXQSIQSDQ-QQFBHYJXSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001016530987 766446570 /nfs/dbraw/zinc/44/65/70/766446570.db2.gz HBDXGMXQSIQSDQ-QQFBHYJXSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[C@@H](C2)N3CCn2cncn2)C1 ZINC001045878143 766459083 /nfs/dbraw/zinc/45/90/83/766459083.db2.gz JSTGAOUSNZGJQP-ZACQAIPSSA-N 1 3 346.479 0.685 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[C@@H](C2)N3CCn2cncn2)C1 ZINC001045878143 766459089 /nfs/dbraw/zinc/45/90/89/766459089.db2.gz JSTGAOUSNZGJQP-ZACQAIPSSA-N 1 3 346.479 0.685 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)NCc1ccco1 ZINC001127254352 766508243 /nfs/dbraw/zinc/50/82/43/766508243.db2.gz DOHRQCOFIQMRRK-CABCVRRESA-N 1 3 348.447 0.476 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)NCc1ccco1 ZINC001127254352 766508247 /nfs/dbraw/zinc/50/82/47/766508247.db2.gz DOHRQCOFIQMRRK-CABCVRRESA-N 1 3 348.447 0.476 20 0 ECADHO O=C(C[NH+]1CCCC1)N[C@@]12CCC[C@@H]1N(CC(=O)N1CCC1)CC2 ZINC000992483624 766683877 /nfs/dbraw/zinc/68/38/77/766683877.db2.gz FZUSULSFOUJVTL-MAUKXSAKSA-N 1 3 334.464 0.428 20 0 ECADHO CN(C)C1(C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)CCC1 ZINC001046035229 766719528 /nfs/dbraw/zinc/71/95/28/766719528.db2.gz HLERYSGQLGZCJJ-MRXNPFEDSA-N 1 3 338.496 0.072 20 0 ECADHO CN(C)C1(C(=O)N2CCN([C@@H]3CC[N@@H+](CCCO)C3)CC2)CCC1 ZINC001046035229 766719530 /nfs/dbraw/zinc/71/95/30/766719530.db2.gz HLERYSGQLGZCJJ-MRXNPFEDSA-N 1 3 338.496 0.072 20 0 ECADHO O=C(N[C@@H]1CC12CC[NH+](CCCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001016740779 766827048 /nfs/dbraw/zinc/82/70/48/766827048.db2.gz NTRWWMYSVLYVJP-YJTLQXIOSA-N 1 3 349.475 0.203 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046084712 766925899 /nfs/dbraw/zinc/92/58/99/766925899.db2.gz HEXONHXCBMFSKB-IRXDYDNUSA-N 1 3 338.496 0.072 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046084712 766925900 /nfs/dbraw/zinc/92/59/00/766925900.db2.gz HEXONHXCBMFSKB-IRXDYDNUSA-N 1 3 338.496 0.072 20 0 ECADHO CN1CC[C@H](N2CCC3(C[C@@H]3NC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001016799423 766949903 /nfs/dbraw/zinc/94/99/03/766949903.db2.gz JXVGBWBIYCPSLQ-HOTGVXAUSA-N 1 3 348.491 0.530 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000994852300 767018921 /nfs/dbraw/zinc/01/89/21/767018921.db2.gz CKESNYXMZQUFHB-HOTGVXAUSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000994852300 767018933 /nfs/dbraw/zinc/01/89/33/767018933.db2.gz CKESNYXMZQUFHB-HOTGVXAUSA-N 1 3 334.464 0.426 20 0 ECADHO CN1CCN(c2ccccc2-c2noc([C@@H]3NCC[C@@H]3[NH3+])n2)CC1 ZINC001212331227 767229064 /nfs/dbraw/zinc/22/90/64/767229064.db2.gz PVSHZFJUSPCPMB-DZGCQCFKSA-N 1 3 328.420 0.850 20 0 ECADHO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089820758 767318651 /nfs/dbraw/zinc/31/86/51/767318651.db2.gz OPVXQSGCQXGDKL-HJWJTTGWSA-N 1 3 348.491 0.386 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089820758 767318654 /nfs/dbraw/zinc/31/86/54/767318654.db2.gz OPVXQSGCQXGDKL-HJWJTTGWSA-N 1 3 348.491 0.386 20 0 ECADHO NC(=O)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CCC[NH+]1CCC2 ZINC001089830820 767390570 /nfs/dbraw/zinc/39/05/70/767390570.db2.gz HNKARYRHXOFHCC-JONQDZQNSA-N 1 3 346.475 0.269 20 0 ECADHO CC(C)C[C@@H](C)N(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127644271 767397520 /nfs/dbraw/zinc/39/75/20/767397520.db2.gz XOGQUBOUPJOAGW-BZUAXINKSA-N 1 3 340.512 0.925 20 0 ECADHO CC(C)C[C@@H](C)N(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127644271 767397530 /nfs/dbraw/zinc/39/75/30/767397530.db2.gz XOGQUBOUPJOAGW-BZUAXINKSA-N 1 3 340.512 0.925 20 0 ECADHO Cn1cc(CN2CCC3(C[C@@H]3NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001016970015 767413747 /nfs/dbraw/zinc/41/37/47/767413747.db2.gz QRZZMNIFMVGHFY-HOTGVXAUSA-N 1 3 331.464 0.843 20 0 ECADHO Cn1cc(CN2CCC3(C[C@@H]3NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001016970015 767413751 /nfs/dbraw/zinc/41/37/51/767413751.db2.gz QRZZMNIFMVGHFY-HOTGVXAUSA-N 1 3 331.464 0.843 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@@H]([NH2+]CCn3cncn3)[C@H]2C1 ZINC000992829213 767653066 /nfs/dbraw/zinc/65/30/66/767653066.db2.gz DPBXLCDUICTMSJ-CWRNSKLLSA-N 1 3 343.435 0.461 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001054168753 767766994 /nfs/dbraw/zinc/76/69/94/767766994.db2.gz IRFKZARBIHZOJR-TXLGJMDYSA-N 1 3 349.475 0.156 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054168753 767766996 /nfs/dbraw/zinc/76/69/96/767766996.db2.gz IRFKZARBIHZOJR-TXLGJMDYSA-N 1 3 349.475 0.156 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001054168754 767767005 /nfs/dbraw/zinc/76/70/05/767767005.db2.gz IRFKZARBIHZOJR-YDXUJSMASA-N 1 3 349.475 0.156 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054168754 767767007 /nfs/dbraw/zinc/76/70/07/767767007.db2.gz IRFKZARBIHZOJR-YDXUJSMASA-N 1 3 349.475 0.156 20 0 ECADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCc1cnnn1C ZINC001054969753 768485669 /nfs/dbraw/zinc/48/56/69/768485669.db2.gz UIAZNRZOVFNKGW-UKRRQHHQSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]CCO ZINC001106666068 768578763 /nfs/dbraw/zinc/57/87/63/768578763.db2.gz GXYDPNRXVBHBJP-CKEIUWERSA-N 1 3 329.460 0.875 20 0 ECADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705101 768694387 /nfs/dbraw/zinc/69/43/87/768694387.db2.gz QYZLAUUSIVBXAA-ZIAGYGMSSA-N 1 3 335.452 0.409 20 0 ECADHO CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705085 768694515 /nfs/dbraw/zinc/69/45/15/768694515.db2.gz QREQPKWQIHIKLR-RBSFLKMASA-N 1 3 349.479 0.797 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000993806230 769650150 /nfs/dbraw/zinc/65/01/50/769650150.db2.gz KUJASMHLUWCBHV-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000993806230 769650157 /nfs/dbraw/zinc/65/01/57/769650157.db2.gz KUJASMHLUWCBHV-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000993878491 769777110 /nfs/dbraw/zinc/77/71/10/769777110.db2.gz KQJHCOYLTBVUOZ-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000993868401 769817525 /nfs/dbraw/zinc/81/75/25/769817525.db2.gz XZHWLTUYWWELGI-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000993868401 769817538 /nfs/dbraw/zinc/81/75/38/769817538.db2.gz XZHWLTUYWWELGI-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000993929141 769838238 /nfs/dbraw/zinc/83/82/38/769838238.db2.gz HPFIVYAOBKWHIZ-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000993929141 769838251 /nfs/dbraw/zinc/83/82/51/769838251.db2.gz HPFIVYAOBKWHIZ-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001018880641 770180713 /nfs/dbraw/zinc/18/07/13/770180713.db2.gz UTZHIHGTCWJKBO-JKSUJKDBSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1)C1CCC1 ZINC001018971838 770432442 /nfs/dbraw/zinc/43/24/42/770432442.db2.gz WHPXNNRZTKZZEZ-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001078399252 782872704 /nfs/dbraw/zinc/87/27/04/782872704.db2.gz WEWFVKNHCHRYPE-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001078399252 782872708 /nfs/dbraw/zinc/87/27/08/782872708.db2.gz WEWFVKNHCHRYPE-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001019168550 770980898 /nfs/dbraw/zinc/98/08/98/770980898.db2.gz JDHIVOFWPJYXNF-DHADLLTHSA-N 1 3 342.443 0.635 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@@H]2CCN(C(C)C)C2=O)C1)[NH+](C)C ZINC001019337593 771179046 /nfs/dbraw/zinc/17/90/46/771179046.db2.gz QXEZNLIJTGPAFM-ARFHVFGLSA-N 1 3 338.496 0.772 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)n1 ZINC001019386094 771235813 /nfs/dbraw/zinc/23/58/13/771235813.db2.gz BZSAQEOJOBYDDN-INIZCTEOSA-N 1 3 348.495 0.817 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001019397123 771247669 /nfs/dbraw/zinc/24/76/69/771247669.db2.gz JXJLGHKVEZGLPX-ILXRZTDVSA-N 1 3 345.509 0.342 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056456937 771288868 /nfs/dbraw/zinc/28/88/68/771288868.db2.gz WOQWFGSQHJRVKG-BZUAXINKSA-N 1 3 338.496 0.870 20 0 ECADHO CNC(=O)c1cccc(CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001127480860 771318053 /nfs/dbraw/zinc/31/80/53/771318053.db2.gz NLZFZWYMFUFRQH-KRWDZBQOSA-N 1 3 344.459 0.594 20 0 ECADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001078419931 782916416 /nfs/dbraw/zinc/91/64/16/782916416.db2.gz BFOUUWADTSXVFP-JKSUJKDBSA-N 1 3 337.468 0.467 20 0 ECADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001019630589 771632758 /nfs/dbraw/zinc/63/27/58/771632758.db2.gz BRCRRXXKLWOSCZ-DLBZAZTESA-N 1 3 348.491 0.578 20 0 ECADHO CC(C)(C)N1CC[C@H](N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001019660950 771684779 /nfs/dbraw/zinc/68/47/79/771684779.db2.gz ODZIQEIKYCFQRH-GJZGRUSLSA-N 1 3 348.491 0.672 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(CCn4cncn4)[C@@H]3C2)CC1 ZINC001042212993 782947853 /nfs/dbraw/zinc/94/78/53/782947853.db2.gz CVZPJQOXARFCFQ-DOTOQJQBSA-N 1 3 346.479 0.543 20 0 ECADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)on1 ZINC001019779010 771788686 /nfs/dbraw/zinc/78/86/86/771788686.db2.gz HRSWWFUFVGWQMB-ZFWWWQNUSA-N 1 3 336.436 0.642 20 0 ECADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001019815895 771831703 /nfs/dbraw/zinc/83/17/03/771831703.db2.gz NDPSBSNQILKQLW-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001019820728 771838679 /nfs/dbraw/zinc/83/86/79/771838679.db2.gz WDMIJBJPZYPENQ-IRXDYDNUSA-N 1 3 348.495 0.960 20 0 ECADHO Cc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001020178981 772249812 /nfs/dbraw/zinc/24/98/12/772249812.db2.gz KKDONAHJHFDVRD-TVFCKZIOSA-N 1 3 344.459 0.990 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)C1 ZINC001020237132 772330083 /nfs/dbraw/zinc/33/00/83/772330083.db2.gz VKBGQHAUAWPAHD-KKUMJFAQSA-N 1 3 334.468 0.530 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)C1 ZINC001020237132 772330089 /nfs/dbraw/zinc/33/00/89/772330089.db2.gz VKBGQHAUAWPAHD-KKUMJFAQSA-N 1 3 334.468 0.530 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCC[C@@H]1C)N(C)C ZINC001078467784 783005208 /nfs/dbraw/zinc/00/52/08/783005208.db2.gz OCSZDWHRPPMPKL-KKUMJFAQSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC[C@@H]1C)N(C)C ZINC001078467784 783005216 /nfs/dbraw/zinc/00/52/16/783005216.db2.gz OCSZDWHRPPMPKL-KKUMJFAQSA-N 1 3 326.485 0.822 20 0 ECADHO Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc3ccnn3C)C1)CC2 ZINC001020316850 772437952 /nfs/dbraw/zinc/43/79/52/772437952.db2.gz UJIRPXWGDQIYRD-IHRRRGAJSA-N 1 3 342.447 0.994 20 0 ECADHO Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc3ccnn3C)C1)C2 ZINC001020316850 772437957 /nfs/dbraw/zinc/43/79/57/772437957.db2.gz UJIRPXWGDQIYRD-IHRRRGAJSA-N 1 3 342.447 0.994 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751398 774579051 /nfs/dbraw/zinc/57/90/51/774579051.db2.gz SEJYSVHVDGIFLA-LSDHHAIUSA-N 1 3 347.463 0.934 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)CN1CCCC1 ZINC001044856596 774679510 /nfs/dbraw/zinc/67/95/10/774679510.db2.gz ACRRJZFZXXTQBM-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO COc1ncc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001045308364 775374700 /nfs/dbraw/zinc/37/47/00/775374700.db2.gz DBEOHRCAZKXDOX-HOCLYGCPSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001045308364 775374709 /nfs/dbraw/zinc/37/47/09/775374709.db2.gz DBEOHRCAZKXDOX-HOCLYGCPSA-N 1 3 347.463 0.826 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001045312112 775388064 /nfs/dbraw/zinc/38/80/64/775388064.db2.gz WRIVVRZPMZUQRS-GJZGRUSLSA-N 1 3 343.493 0.098 20 0 ECADHO COCC[NH+]1CCC(C)(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001045444726 775616740 /nfs/dbraw/zinc/61/67/40/775616740.db2.gz UXJBQWCMCUQKQU-CABCVRRESA-N 1 3 325.453 0.467 20 0 ECADHO CC1(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC[NH+](CCCO)CC1 ZINC001045444786 775618179 /nfs/dbraw/zinc/61/81/79/775618179.db2.gz WICWSYRKSMTWAB-HUUCEWRRSA-N 1 3 325.453 0.203 20 0 ECADHO C[C@H](O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001045506652 775713214 /nfs/dbraw/zinc/71/32/14/775713214.db2.gz WFOMJXHVWZUJLX-CQDIZWNASA-N 1 3 337.464 0.201 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001079807262 776911251 /nfs/dbraw/zinc/91/12/51/776911251.db2.gz PQRYVBBMHAKVIR-ZBFHGGJFSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001079807262 776911253 /nfs/dbraw/zinc/91/12/53/776911253.db2.gz PQRYVBBMHAKVIR-ZBFHGGJFSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001079807259 776911652 /nfs/dbraw/zinc/91/16/52/776911652.db2.gz PQRYVBBMHAKVIR-GDBMZVCRSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001079807259 776911658 /nfs/dbraw/zinc/91/16/58/776911658.db2.gz PQRYVBBMHAKVIR-GDBMZVCRSA-N 1 3 336.480 0.339 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070076149 790522421 /nfs/dbraw/zinc/52/24/21/790522421.db2.gz JHBYZZUKJPDBID-ZACQAIPSSA-N 1 3 346.479 0.762 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070076149 790522433 /nfs/dbraw/zinc/52/24/33/790522433.db2.gz JHBYZZUKJPDBID-ZACQAIPSSA-N 1 3 346.479 0.762 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C)N(C)C ZINC001078502052 780029494 /nfs/dbraw/zinc/02/94/94/780029494.db2.gz GMBXNONHBPKRST-AEGPPILISA-N 1 3 326.485 0.678 20 0 ECADHO CCC[N@H+](C)CCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCCN2C)C1 ZINC001079494065 781182812 /nfs/dbraw/zinc/18/28/12/781182812.db2.gz QILBAAMKWBIYOG-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCCN2C)C1 ZINC001079494065 781182815 /nfs/dbraw/zinc/18/28/15/781182815.db2.gz QILBAAMKWBIYOG-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC001077618930 781361470 /nfs/dbraw/zinc/36/14/70/781361470.db2.gz VXZHIISJMAGPPC-BRWVUGGUSA-N 1 3 339.480 0.305 20 0 ECADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070209352 783660651 /nfs/dbraw/zinc/66/06/51/783660651.db2.gz ZXMNWUWQGTYULL-OWCLPIDISA-N 1 3 334.468 0.616 20 0 ECADHO O=C(c1ccn2cncc2c1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070227306 783697052 /nfs/dbraw/zinc/69/70/52/783697052.db2.gz XWCQOAAOXBOKEE-CABCVRRESA-N 1 3 343.366 0.551 20 0 ECADHO CC(C)[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1n1ccnn1 ZINC001070247886 783736462 /nfs/dbraw/zinc/73/64/62/783736462.db2.gz JAUKLVZGOAUGKI-CABCVRRESA-N 1 3 334.468 0.902 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001070407218 783990753 /nfs/dbraw/zinc/99/07/53/783990753.db2.gz AHISPEPPZZDPDJ-GDBMZVCRSA-N 1 3 349.479 0.680 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001070407218 783990758 /nfs/dbraw/zinc/99/07/58/783990758.db2.gz AHISPEPPZZDPDJ-GDBMZVCRSA-N 1 3 349.479 0.680 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071086120 784528441 /nfs/dbraw/zinc/52/84/41/784528441.db2.gz QBZMBDDVUSZDGK-KYJSFNMBSA-N 1 3 339.480 0.449 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001070754184 784653822 /nfs/dbraw/zinc/65/38/22/784653822.db2.gz AQJNVDKLHUQJPW-BZUAXINKSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001070754184 784653831 /nfs/dbraw/zinc/65/38/31/784653831.db2.gz AQJNVDKLHUQJPW-BZUAXINKSA-N 1 3 338.496 0.632 20 0 ECADHO COCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN(C)C1CCC1)C[C@H](C)O2 ZINC001071175118 784662649 /nfs/dbraw/zinc/66/26/49/784662649.db2.gz AUFDEMLGYHZYDR-YJBOKZPZSA-N 1 3 339.480 0.809 20 0 ECADHO COCC[N@H+]1CC[C@]2(C1)CN(C(=O)CN(C)C1CCC1)C[C@H](C)O2 ZINC001071175118 784662653 /nfs/dbraw/zinc/66/26/53/784662653.db2.gz AUFDEMLGYHZYDR-YJBOKZPZSA-N 1 3 339.480 0.809 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001070766329 784670660 /nfs/dbraw/zinc/67/06/60/784670660.db2.gz UHCLYIDFAYQWPS-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070766329 784670669 /nfs/dbraw/zinc/67/06/69/784670669.db2.gz UHCLYIDFAYQWPS-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001070767581 784671472 /nfs/dbraw/zinc/67/14/72/784671472.db2.gz DBYIBRDKAOZXLL-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@]2(CCN(CCO)C2)O1 ZINC001071199420 784720716 /nfs/dbraw/zinc/72/07/16/784720716.db2.gz MCOZEYDNJAGBJO-YJBOKZPZSA-N 1 3 339.480 0.545 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001070873119 784777290 /nfs/dbraw/zinc/77/72/90/784777290.db2.gz BAVRFROTIVQSOV-WBVHZDCISA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001070873119 784777297 /nfs/dbraw/zinc/77/72/97/784777297.db2.gz BAVRFROTIVQSOV-WBVHZDCISA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001070873118 784777351 /nfs/dbraw/zinc/77/73/51/784777351.db2.gz BAVRFROTIVQSOV-NVXWUHKLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001070873118 784777357 /nfs/dbraw/zinc/77/73/57/784777357.db2.gz BAVRFROTIVQSOV-NVXWUHKLSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001071346727 784987964 /nfs/dbraw/zinc/98/79/64/784987964.db2.gz ZQASYMCQDUUZQT-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001071346727 784987969 /nfs/dbraw/zinc/98/79/69/784987969.db2.gz ZQASYMCQDUUZQT-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001072316408 786029527 /nfs/dbraw/zinc/02/95/27/786029527.db2.gz BUNPBKFBGTWOFN-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001072316408 786029532 /nfs/dbraw/zinc/02/95/32/786029532.db2.gz BUNPBKFBGTWOFN-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001074244459 786498043 /nfs/dbraw/zinc/49/80/43/786498043.db2.gz UENYQBZPKOIYEO-DZGCQCFKSA-N 1 3 335.452 0.647 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001074244459 786498044 /nfs/dbraw/zinc/49/80/44/786498044.db2.gz UENYQBZPKOIYEO-DZGCQCFKSA-N 1 3 335.452 0.647 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073672446 786933008 /nfs/dbraw/zinc/93/30/08/786933008.db2.gz LVTJVVVNFKRLIH-CVEARBPZSA-N 1 3 327.469 0.306 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073672446 786933016 /nfs/dbraw/zinc/93/30/16/786933016.db2.gz LVTJVVVNFKRLIH-CVEARBPZSA-N 1 3 327.469 0.306 20 0 ECADHO CC(C)[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700767 787002963 /nfs/dbraw/zinc/00/29/63/787002963.db2.gz WITBOAANBDJCPH-GARNVTTQSA-N 1 3 337.464 0.465 20 0 ECADHO CC(C)[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700767 787002973 /nfs/dbraw/zinc/00/29/73/787002973.db2.gz WITBOAANBDJCPH-GARNVTTQSA-N 1 3 337.464 0.465 20 0 ECADHO Cn1cc(CCN2CCCO[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001073892244 787455179 /nfs/dbraw/zinc/45/51/79/787455179.db2.gz ZDXULBGWOULIOM-DLBZAZTESA-N 1 3 349.479 0.121 20 0 ECADHO Cn1cc(CCN2CCCO[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001073892244 787455183 /nfs/dbraw/zinc/45/51/83/787455183.db2.gz ZDXULBGWOULIOM-DLBZAZTESA-N 1 3 349.479 0.121 20 0 ECADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001074653688 787514608 /nfs/dbraw/zinc/51/46/08/787514608.db2.gz AIJXHAXUSJKBJM-XIRDDKMYSA-N 1 3 348.491 0.530 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001074089603 787852120 /nfs/dbraw/zinc/85/21/20/787852120.db2.gz FQLFOHKXDPVAKV-UKRRQHHQSA-N 1 3 349.479 0.956 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001072621623 788451009 /nfs/dbraw/zinc/45/10/09/788451009.db2.gz DAQXRVZZVMPXDA-WFASDCNBSA-N 1 3 347.463 0.566 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001072741797 788688566 /nfs/dbraw/zinc/68/85/66/788688566.db2.gz JAODHOJAEVGOGS-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001072741797 788688569 /nfs/dbraw/zinc/68/85/69/788688569.db2.gz JAODHOJAEVGOGS-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H](C)C1 ZINC001072742494 788691430 /nfs/dbraw/zinc/69/14/30/788691430.db2.gz RDHULHBGIZMLTK-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H](C)C1 ZINC001072742494 788691434 /nfs/dbraw/zinc/69/14/34/788691434.db2.gz RDHULHBGIZMLTK-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1CNCc1cn(C)nn1 ZINC001075322271 789211096 /nfs/dbraw/zinc/21/10/96/789211096.db2.gz TVUWQIFQVFBGSC-HOCLYGCPSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]Cc1cncn1C ZINC001075336126 789230245 /nfs/dbraw/zinc/23/02/45/789230245.db2.gz YCKIXIXPRZWCIJ-KGLIPLIRSA-N 1 3 330.436 0.960 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCc3ncnn31)C2)N(C)C ZINC001072991328 789238055 /nfs/dbraw/zinc/23/80/55/789238055.db2.gz SKSXPIKWESWEHJ-GJZGRUSLSA-N 1 3 346.479 0.640 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCc3ncnn31)C2)N(C)C ZINC001072991328 789238062 /nfs/dbraw/zinc/23/80/62/789238062.db2.gz SKSXPIKWESWEHJ-GJZGRUSLSA-N 1 3 346.479 0.640 20 0 ECADHO CCCN(C)CC(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001073176515 789570752 /nfs/dbraw/zinc/57/07/52/789570752.db2.gz LDTRDVAVVLEHBR-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(C)CC(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001073177310 789572497 /nfs/dbraw/zinc/57/24/97/789572497.db2.gz PAODBLGRZAPBOC-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN(C)CC(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073177310 789572499 /nfs/dbraw/zinc/57/24/99/789572499.db2.gz PAODBLGRZAPBOC-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001067712999 792170418 /nfs/dbraw/zinc/17/04/18/792170418.db2.gz WLUQOHFAOGZJGJ-HZPDHXFCSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001067712999 792170422 /nfs/dbraw/zinc/17/04/22/792170422.db2.gz WLUQOHFAOGZJGJ-HZPDHXFCSA-N 1 3 340.512 0.975 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001067830406 792336033 /nfs/dbraw/zinc/33/60/33/792336033.db2.gz QZWZGGJHWWYFLO-MRXNPFEDSA-N 1 3 340.512 0.977 20 0 ECADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001067830406 792336045 /nfs/dbraw/zinc/33/60/45/792336045.db2.gz QZWZGGJHWWYFLO-MRXNPFEDSA-N 1 3 340.512 0.977 20 0 ECADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001267429385 837401093 /nfs/dbraw/zinc/40/10/93/837401093.db2.gz ZUWMYIMFBLQIAH-AWEZNQCLSA-N 1 3 345.509 0.201 20 0 ECADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001414155008 836119097 /nfs/dbraw/zinc/11/90/97/836119097.db2.gz NYSGGTDLIPYHTC-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](NC(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001266701826 836166973 /nfs/dbraw/zinc/16/69/73/836166973.db2.gz GJUFXZKSKFEFTF-XJKSGUPXSA-N 1 3 336.480 0.291 20 0 ECADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)nnn2C)N(C)C ZINC001266836386 836361243 /nfs/dbraw/zinc/36/12/43/836361243.db2.gz PQYOYZXXPLJRRC-HNNXBMFYSA-N 1 3 332.452 0.857 20 0 ECADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001266879974 836427624 /nfs/dbraw/zinc/42/76/24/836427624.db2.gz DWJNGCVLNVEBDV-KGLIPLIRSA-N 1 3 338.452 0.104 20 0 ECADHO CN(CCNCC(=O)NCc1ccco1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266988976 836570849 /nfs/dbraw/zinc/57/08/49/836570849.db2.gz QSPGSEIQZBGSMC-CQSZACIVSA-N 1 3 336.436 0.286 20 0 ECADHO CN(CCNCC(=O)NCc1ccco1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266988976 836570856 /nfs/dbraw/zinc/57/08/56/836570856.db2.gz QSPGSEIQZBGSMC-CQSZACIVSA-N 1 3 336.436 0.286 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCN2CCCC2=O)C1 ZINC001267035840 836657920 /nfs/dbraw/zinc/65/79/20/836657920.db2.gz PTDKCNHXFGFXKW-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)N(CCCNC(=O)C(C)(C)[NH+]1CCCCC1)CC(N)=O ZINC001267257863 837084247 /nfs/dbraw/zinc/08/42/47/837084247.db2.gz YOBCNFCVJKUUHI-UHFFFAOYSA-N 1 3 326.485 0.953 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)Cc1ccccc1 ZINC000418856075 282236106 /nfs/dbraw/zinc/23/61/06/282236106.db2.gz WIFVLADIXNIQDM-INIZCTEOSA-N 1 3 332.448 0.097 20 0 ECADHO CN(CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000354681876 299095450 /nfs/dbraw/zinc/09/54/50/299095450.db2.gz UPLJWKIOIITRCN-INIZCTEOSA-N 1 3 332.448 0.493 20 0 ECADHO O=C(NCCNc1ccncc1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000426534866 210153793 /nfs/dbraw/zinc/15/37/93/210153793.db2.gz YWCSHEYJMHFEBT-DLBZAZTESA-N 1 3 347.463 0.592 20 0 ECADHO COCC[C@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000354774237 299122794 /nfs/dbraw/zinc/12/27/94/299122794.db2.gz XGPAHTZUADHSMU-OAHLLOKOSA-N 1 3 342.484 0.242 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)[C@@H]2C1 ZINC000425386866 210047794 /nfs/dbraw/zinc/04/77/94/210047794.db2.gz MRWZZHIHMSDBLK-IXDOHACOSA-N 1 3 348.491 0.483 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)[C@@H]2C1 ZINC000425378255 210045973 /nfs/dbraw/zinc/04/59/73/210045973.db2.gz BVXLGPPRCHWSMY-GVDBMIGSSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000423694969 295892344 /nfs/dbraw/zinc/89/23/44/295892344.db2.gz BLWYRFBANXXXTH-HOTGVXAUSA-N 1 3 338.496 0.763 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000355324373 299238388 /nfs/dbraw/zinc/23/83/88/299238388.db2.gz UFYRWWAIDPMXIP-ZIAGYGMSSA-N 1 3 326.485 0.632 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419762535 283166082 /nfs/dbraw/zinc/16/60/82/283166082.db2.gz LYRNSCZNSPGTBR-OLZOCXBDSA-N 1 3 328.457 0.064 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419762535 283166086 /nfs/dbraw/zinc/16/60/86/283166086.db2.gz LYRNSCZNSPGTBR-OLZOCXBDSA-N 1 3 328.457 0.064 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419402339 291195970 /nfs/dbraw/zinc/19/59/70/291195970.db2.gz CHBIXSXESTUJOL-MGPQQGTHSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000419402339 291195972 /nfs/dbraw/zinc/19/59/72/291195972.db2.gz CHBIXSXESTUJOL-MGPQQGTHSA-N 1 3 340.468 0.064 20 0 ECADHO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000420431538 209365209 /nfs/dbraw/zinc/36/52/09/209365209.db2.gz FWGAEEIPTFTUMF-CQSZACIVSA-N 1 3 343.497 0.434 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCC1 ZINC000420171708 209329088 /nfs/dbraw/zinc/32/90/88/209329088.db2.gz ULHGODBCEGYIGW-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000420114201 209310707 /nfs/dbraw/zinc/31/07/07/209310707.db2.gz DBHQVRVKOGRCJI-HUUCEWRRSA-N 1 3 326.485 0.858 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419172431 296026770 /nfs/dbraw/zinc/02/67/70/296026770.db2.gz QWWYBTMALFOTLA-BZUAXINKSA-N 1 3 338.496 0.951 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000420102649 209306197 /nfs/dbraw/zinc/30/61/97/209306197.db2.gz ODGUYTMOXBZDIR-OAHLLOKOSA-N 1 3 344.459 0.706 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000420102649 209306194 /nfs/dbraw/zinc/30/61/94/209306194.db2.gz ODGUYTMOXBZDIR-OAHLLOKOSA-N 1 3 344.459 0.706 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000419955109 209259290 /nfs/dbraw/zinc/25/92/90/209259290.db2.gz NABRDBZMTLOCBV-OAHLLOKOSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000419945910 209256409 /nfs/dbraw/zinc/25/64/09/209256409.db2.gz DHGLITNJPBEYAR-LBPRGKRZSA-N 1 3 326.466 0.349 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC[C@@H]21 ZINC000419925440 209250441 /nfs/dbraw/zinc/25/04/41/209250441.db2.gz IRGWWDQBKUIZAC-IKGGRYGDSA-N 1 3 344.459 0.745 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC[C@@H]21 ZINC000419925440 209250442 /nfs/dbraw/zinc/25/04/42/209250442.db2.gz IRGWWDQBKUIZAC-IKGGRYGDSA-N 1 3 344.459 0.745 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419913796 209247604 /nfs/dbraw/zinc/24/76/04/209247604.db2.gz BFUOIZDUXHNCEA-YESZJQIVSA-N 1 3 344.459 0.745 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419913796 209247606 /nfs/dbraw/zinc/24/76/06/209247606.db2.gz BFUOIZDUXHNCEA-YESZJQIVSA-N 1 3 344.459 0.745 20 0 ECADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419908740 209245962 /nfs/dbraw/zinc/24/59/62/209245962.db2.gz FGMOVHGRBVUZAB-JKSUJKDBSA-N 1 3 336.480 0.579 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838305 209219593 /nfs/dbraw/zinc/21/95/93/209219593.db2.gz FLDQLWLPGOYNOB-AWEZNQCLSA-N 1 3 338.477 0.507 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000419835949 209218011 /nfs/dbraw/zinc/21/80/11/209218011.db2.gz VLGSXXVUJVVJSB-BZUAXINKSA-N 1 3 330.432 0.546 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000419835949 209218016 /nfs/dbraw/zinc/21/80/16/209218016.db2.gz VLGSXXVUJVVJSB-BZUAXINKSA-N 1 3 330.432 0.546 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C(C)C ZINC000419795291 209206368 /nfs/dbraw/zinc/20/63/68/209206368.db2.gz JOARFKOMHQQCHP-KBPBESRZSA-N 1 3 342.484 0.451 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)C(C)C ZINC000419793457 209206175 /nfs/dbraw/zinc/20/61/75/209206175.db2.gz BTZOJPLQWJVOFC-HUUCEWRRSA-N 1 3 326.485 0.807 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419782135 209202896 /nfs/dbraw/zinc/20/28/96/209202896.db2.gz UCRYAOGQQOSZLS-GJZGRUSLSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419777033 209202907 /nfs/dbraw/zinc/20/29/07/209202907.db2.gz MMNQMAHOTLFHQN-KBPBESRZSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419728878 209190700 /nfs/dbraw/zinc/19/07/00/209190700.db2.gz ZEQLJQUNDXFHFS-KRWDZBQOSA-N 1 3 346.475 0.867 20 0 ECADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000356301856 299375437 /nfs/dbraw/zinc/37/54/37/299375437.db2.gz LPBTZBWVQVIVFZ-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CN)cc1 ZINC000419716854 209185921 /nfs/dbraw/zinc/18/59/21/209185921.db2.gz ZKSNMDWDRCUQCZ-MRXNPFEDSA-N 1 3 332.448 0.357 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419667437 209165537 /nfs/dbraw/zinc/16/55/37/209165537.db2.gz AKLNPFWRFAAVPE-BZUAXINKSA-N 1 3 338.496 0.809 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000419645599 209156516 /nfs/dbraw/zinc/15/65/16/209156516.db2.gz PHGLRWCSGXKUMG-IAGOWNOFSA-N 1 3 346.475 0.998 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419587953 209133389 /nfs/dbraw/zinc/13/33/89/209133389.db2.gz NXMAHPZIIRWWOR-KLHDSHLOSA-N 1 3 336.480 0.481 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419589838 209133111 /nfs/dbraw/zinc/13/31/11/209133111.db2.gz SODPUPLSLXYTIO-WFASDCNBSA-N 1 3 330.498 0.174 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000111817999 220198165 /nfs/dbraw/zinc/19/81/65/220198165.db2.gz XPHQYPNXARDZSV-OAHLLOKOSA-N 1 3 326.485 0.722 20 0 ECADHO CC(C)C[C@H](CN(C)C)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111826860 220200458 /nfs/dbraw/zinc/20/04/58/220200458.db2.gz GASYNWZPUGIDSY-MRXNPFEDSA-N 1 3 328.501 0.966 20 0 ECADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1ccc(S(N)(=O)=O)cc1 ZINC000420359234 209357490 /nfs/dbraw/zinc/35/74/90/209357490.db2.gz JPNQDVGNZCDMLS-CQSZACIVSA-N 1 3 327.450 0.691 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000420411390 209362461 /nfs/dbraw/zinc/36/24/61/209362461.db2.gz BXCUSHWGYFQGTK-CQSZACIVSA-N 1 3 343.497 0.339 20 0 ECADHO CC[C@H](C(=O)NCCN(C(=O)[C@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000413319429 208311906 /nfs/dbraw/zinc/31/19/06/208311906.db2.gz DBJZPCAKYVKCEU-CABCVRRESA-N 1 3 326.485 0.774 20 0 ECADHO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(OCCN(C)C)cc1 ZINC000414171936 208394265 /nfs/dbraw/zinc/39/42/65/208394265.db2.gz DMPXAYATLFIZFA-GOEBONIOSA-N 1 3 333.436 0.930 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000430714501 210399070 /nfs/dbraw/zinc/39/90/70/210399070.db2.gz OQSPXQSDNDYUQI-QGZVFWFLSA-N 1 3 346.475 0.615 20 0 ECADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430651841 210395726 /nfs/dbraw/zinc/39/57/26/210395726.db2.gz MGZFPAXZQQEYFC-RDJZCZTQSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@](C[NH3+])(NCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000430588079 210383555 /nfs/dbraw/zinc/38/35/55/210383555.db2.gz BVGSVNGWZHRNAL-GOSISDBHSA-N 1 3 331.464 0.837 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415471392 208533498 /nfs/dbraw/zinc/53/34/98/208533498.db2.gz QHPUARUNRIYTBU-CQSZACIVSA-N 1 3 348.447 0.824 20 0 ECADHO CN(C)[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000416827419 208689868 /nfs/dbraw/zinc/68/98/68/208689868.db2.gz CQEPOILRXGXLSW-SJORKVTESA-N 1 3 334.464 0.919 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)OC ZINC000495581319 255021741 /nfs/dbraw/zinc/02/17/41/255021741.db2.gz AXMBWMQYAXYWKY-CQSZACIVSA-N 1 3 328.457 0.559 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)OC ZINC000495581319 255021743 /nfs/dbraw/zinc/02/17/43/255021743.db2.gz AXMBWMQYAXYWKY-CQSZACIVSA-N 1 3 328.457 0.559 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)N1CCC(C)CC1 ZINC000419167306 209009798 /nfs/dbraw/zinc/00/97/98/209009798.db2.gz IJYVGUJASCXAGU-CABCVRRESA-N 1 3 338.496 0.809 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419170103 209010251 /nfs/dbraw/zinc/01/02/51/209010251.db2.gz NBLZSDSZIUPULK-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419172803 209012125 /nfs/dbraw/zinc/01/21/25/209012125.db2.gz RNMPGUVKOGUPFI-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419229132 209033673 /nfs/dbraw/zinc/03/36/73/209033673.db2.gz NTPYYXZIAPVNSP-PVAVHDDUSA-N 1 3 344.459 0.491 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419229570 209034186 /nfs/dbraw/zinc/03/41/86/209034186.db2.gz OULFPYYPHPWSCC-INIZCTEOSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419232055 209035401 /nfs/dbraw/zinc/03/54/01/209035401.db2.gz UDQKBRRZQWARCN-HZPDHXFCSA-N 1 3 338.496 0.857 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419278451 209048343 /nfs/dbraw/zinc/04/83/43/209048343.db2.gz ATMGCLWORHTJCR-CQSZACIVSA-N 1 3 326.485 0.729 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)[C@H](C)C1 ZINC000422121884 285383024 /nfs/dbraw/zinc/38/30/24/285383024.db2.gz RUFUQRQPLZGHEM-OAGGEKHMSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)[C@H](C)C1 ZINC000422121884 285383025 /nfs/dbraw/zinc/38/30/25/285383025.db2.gz RUFUQRQPLZGHEM-OAGGEKHMSA-N 1 3 338.496 0.728 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(-c2ccccc2)nn1 ZINC000103212914 296634663 /nfs/dbraw/zinc/63/46/63/296634663.db2.gz RRKPNYDUCSUYSX-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1=O ZINC000129159766 296661422 /nfs/dbraw/zinc/66/14/22/296661422.db2.gz UCBYFEBFGXCGRD-QGZVFWFLSA-N 1 3 346.475 0.775 20 0 ECADHO CCN(CC)CCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000195326853 165079802 /nfs/dbraw/zinc/07/98/02/165079802.db2.gz FLNZBYBNGJISLX-UHFFFAOYSA-N 1 3 345.513 0.682 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237027880 165092689 /nfs/dbraw/zinc/09/26/89/165092689.db2.gz UFHUNKCJQGCIKV-LSDHHAIUSA-N 1 3 336.480 0.435 20 0 ECADHO CCN(CC)C(=O)[C@H](C)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261777739 165241998 /nfs/dbraw/zinc/24/19/98/165241998.db2.gz XPFJFSQENXXXNI-ARFHVFGLSA-N 1 3 338.496 0.824 20 0 ECADHO Cc1c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000262645663 165370194 /nfs/dbraw/zinc/37/01/94/165370194.db2.gz NLHCVABSXWQYLR-IUODEOHRSA-N 1 3 332.452 0.820 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1=O ZINC000262848812 165395344 /nfs/dbraw/zinc/39/53/44/165395344.db2.gz JUWIWQYREVRVNZ-XUWVNRHRSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000419412584 209086992 /nfs/dbraw/zinc/08/69/92/209086992.db2.gz RAMDIXYXWCWHLG-FXUDXRNXSA-N 1 3 336.480 0.339 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185452399 545895765 /nfs/dbraw/zinc/89/57/65/545895765.db2.gz VXIRICQHCBZNFM-HOTGVXAUSA-N 1 3 325.501 0.796 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185452399 545895771 /nfs/dbraw/zinc/89/57/71/545895771.db2.gz VXIRICQHCBZNFM-HOTGVXAUSA-N 1 3 325.501 0.796 20 0 ECADHO C[NH+](C)CCCC1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000123333972 222258696 /nfs/dbraw/zinc/25/86/96/222258696.db2.gz JWPRDNKFVHLRAD-MRXNPFEDSA-N 1 3 338.496 0.764 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000331689814 296957456 /nfs/dbraw/zinc/95/74/56/296957456.db2.gz SZACCPVGCFYBBN-ARFHVFGLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)NC[C@H](C)CN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000174111875 263149673 /nfs/dbraw/zinc/14/96/73/263149673.db2.gz AQKGPWOJGXFHHQ-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)NC[C@H](C)CN1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000174734584 263150896 /nfs/dbraw/zinc/15/08/96/263150896.db2.gz KRUCLTNUPZHTQY-LSDHHAIUSA-N 1 3 325.501 0.652 20 0 ECADHO C[C@H](CNC(=O)NC[C@H](C)CN1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000174734584 263150897 /nfs/dbraw/zinc/15/08/97/263150897.db2.gz KRUCLTNUPZHTQY-LSDHHAIUSA-N 1 3 325.501 0.652 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000283407513 264114216 /nfs/dbraw/zinc/11/42/16/264114216.db2.gz KMDVZXXPDZUVPM-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)N(C)Cc1ccccc1 ZINC000285117177 264280844 /nfs/dbraw/zinc/28/08/44/264280844.db2.gz QUYPXNCLUXENBF-HNNXBMFYSA-N 1 3 346.475 0.834 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)N(C)Cc1ccccc1 ZINC000285117177 264280845 /nfs/dbraw/zinc/28/08/45/264280845.db2.gz QUYPXNCLUXENBF-HNNXBMFYSA-N 1 3 346.475 0.834 20 0 ECADHO C[C@H](C[NH3+])C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000286166741 264376215 /nfs/dbraw/zinc/37/62/15/264376215.db2.gz QPYBTHQDSLGBBN-OAHLLOKOSA-N 1 3 334.464 0.870 20 0 ECADHO CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297451074 265151340 /nfs/dbraw/zinc/15/13/40/265151340.db2.gz PBHWSZHTMDHGBW-ZDUSSCGKSA-N 1 3 326.466 0.968 20 0 ECADHO C[C@@H](CNC(=O)c1cncc(C(=O)NC[C@H](C)[NH+](C)C)c1)N(C)C ZINC000298601280 265265672 /nfs/dbraw/zinc/26/56/72/265265672.db2.gz GHSLEIBOBZPQOL-STQMWFEESA-N 1 3 335.452 0.441 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188749027 287684706 /nfs/dbraw/zinc/68/47/06/287684706.db2.gz YXTFFLVTGHFLKR-LVQVYYBASA-N 1 3 326.460 0.703 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418584846 276198449 /nfs/dbraw/zinc/19/84/49/276198449.db2.gz CNVWOCTXNSXHSN-HOTGVXAUSA-N 1 3 326.485 0.896 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236884105 276384673 /nfs/dbraw/zinc/38/46/73/276384673.db2.gz KAPAVZSDJONSKX-HUUCEWRRSA-N 1 3 328.526 0.471 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417425877 277027362 /nfs/dbraw/zinc/02/73/62/277027362.db2.gz FHMNUGKZVHJTRK-LSDHHAIUSA-N 1 3 339.484 0.323 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423760299 277053101 /nfs/dbraw/zinc/05/31/01/277053101.db2.gz QFMFAWPPXOAFPJ-DZGCQCFKSA-N 1 3 327.469 0.997 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000460081264 279037946 /nfs/dbraw/zinc/03/79/46/279037946.db2.gz LPGHPRRLYRFGGN-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000460081264 279037948 /nfs/dbraw/zinc/03/79/48/279037948.db2.gz LPGHPRRLYRFGGN-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418950068 279114050 /nfs/dbraw/zinc/11/40/50/279114050.db2.gz SEWNUIJTZVPIQI-GDBMZVCRSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N[C@H](CN)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000419200045 279265088 /nfs/dbraw/zinc/26/50/88/279265088.db2.gz LRYYOWVVVUHMHC-RHSMWYFYSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N[C@H](CN)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000419200045 279265090 /nfs/dbraw/zinc/26/50/90/279265090.db2.gz LRYYOWVVVUHMHC-RHSMWYFYSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H](C[NH3+])NC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418528135 279295302 /nfs/dbraw/zinc/29/53/02/279295302.db2.gz RLAXKXSRVNAIRG-SJLPKXTDSA-N 1 3 345.491 0.935 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000343948671 279307630 /nfs/dbraw/zinc/30/76/30/279307630.db2.gz ZUIQYGZUTXETPF-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000418969633 279324401 /nfs/dbraw/zinc/32/44/01/279324401.db2.gz VLPAEFRUNSCMQH-CQSZACIVSA-N 1 3 332.448 0.573 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182656498 280098194 /nfs/dbraw/zinc/09/81/94/280098194.db2.gz ZFQJRVKHPVUXQG-MRXNPFEDSA-N 1 3 327.517 0.996 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182656498 280098196 /nfs/dbraw/zinc/09/81/96/280098196.db2.gz ZFQJRVKHPVUXQG-MRXNPFEDSA-N 1 3 327.517 0.996 20 0 ECADHO CN(C)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000416827413 289280523 /nfs/dbraw/zinc/28/05/23/289280523.db2.gz CQEPOILRXGXLSW-IAGOWNOFSA-N 1 3 334.464 0.919 20 0 ECADHO C[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CN1CCN(C)CC1 ZINC000332838248 297080298 /nfs/dbraw/zinc/08/02/98/297080298.db2.gz NQCBZZBFCZITEE-HOTGVXAUSA-N 1 3 337.512 0.820 20 0 ECADHO C[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)CN1CCN(C)CC1 ZINC000332838248 297080299 /nfs/dbraw/zinc/08/02/99/297080299.db2.gz NQCBZZBFCZITEE-HOTGVXAUSA-N 1 3 337.512 0.820 20 0 ECADHO CN(C)CCOc1cnccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000359723587 299884028 /nfs/dbraw/zinc/88/40/28/299884028.db2.gz LJUUTNSCMAQDNK-OAHLLOKOSA-N 1 3 335.452 0.868 20 0 ECADHO [NH3+]CC[C@H](NC(=O)NC[C@H]1CCCN1CCCO)C(F)(F)F ZINC000416042313 295238663 /nfs/dbraw/zinc/23/86/63/295238663.db2.gz JTTITFVLQYENAM-MNOVXSKESA-N 1 3 326.363 0.412 20 0 ECADHO N[C@@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000419768634 295294372 /nfs/dbraw/zinc/29/43/72/295294372.db2.gz CVBJBSXYLYANCB-KRWDZBQOSA-N 1 3 344.459 0.793 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423147206 295416434 /nfs/dbraw/zinc/41/64/34/295416434.db2.gz CDQNGIZTMHHSAE-PMPSAXMXSA-N 1 3 334.464 0.141 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCCCN3C3CC3)C[C@H]2[NH3+])cn1 ZINC000333561419 297141698 /nfs/dbraw/zinc/14/16/98/297141698.db2.gz KZVFXLGSTUXEQB-IXDOHACOSA-N 1 3 346.479 0.873 20 0 ECADHO CN(C)C(=O)CCN1CCC[C@H]([N@H+](C)CCC(=O)N(C)C)CC1 ZINC000338937973 297311170 /nfs/dbraw/zinc/31/11/70/297311170.db2.gz DVUBKSFSAMAXGU-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CN(C)C(=O)CCN1CCC[C@H]([N@@H+](C)CCC(=O)N(C)C)CC1 ZINC000338937973 297311171 /nfs/dbraw/zinc/31/11/71/297311171.db2.gz DVUBKSFSAMAXGU-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CN(C)C(=O)CCN(C)[C@H]1CCC[N@H+](CCC(=O)N(C)C)CC1 ZINC000338937973 297311172 /nfs/dbraw/zinc/31/11/72/297311172.db2.gz DVUBKSFSAMAXGU-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CN(C)C(=O)CCN(C)[C@H]1CCC[N@@H+](CCC(=O)N(C)C)CC1 ZINC000338937973 297311173 /nfs/dbraw/zinc/31/11/73/297311173.db2.gz DVUBKSFSAMAXGU-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CCN(C)CC1 ZINC000339638757 297368019 /nfs/dbraw/zinc/36/80/19/297368019.db2.gz PZWSDDXROYJRBU-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CCN(C)CC1 ZINC000339638757 297368021 /nfs/dbraw/zinc/36/80/21/297368021.db2.gz PZWSDDXROYJRBU-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC[N@@H+]1C ZINC000339746530 297377459 /nfs/dbraw/zinc/37/74/59/297377459.db2.gz UFLVICSYHLKXRK-YOEHRIQHSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)CC[N@H+]1C ZINC000339746530 297377460 /nfs/dbraw/zinc/37/74/60/297377460.db2.gz UFLVICSYHLKXRK-YOEHRIQHSA-N 1 3 346.475 0.963 20 0 ECADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1CCN(CCO)CC1 ZINC000340558514 297511791 /nfs/dbraw/zinc/51/17/91/297511791.db2.gz VGMARXZIKGNWPR-QGZVFWFLSA-N 1 3 341.496 0.600 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC[C@@H]1CCOC1 ZINC000344472785 298025865 /nfs/dbraw/zinc/02/58/65/298025865.db2.gz BBUUKVFHOWDCAO-SJORKVTESA-N 1 3 341.496 0.914 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC[C@@H]1CCOC1 ZINC000344472785 298025868 /nfs/dbraw/zinc/02/58/68/298025868.db2.gz BBUUKVFHOWDCAO-SJORKVTESA-N 1 3 341.496 0.914 20 0 ECADHO CC(C)OCC[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000345196180 298128817 /nfs/dbraw/zinc/12/88/17/298128817.db2.gz JJRQZOPMGOYFFD-MRXNPFEDSA-N 1 3 329.485 0.552 20 0 ECADHO CC(C)OCC[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000345196179 298129095 /nfs/dbraw/zinc/12/90/95/298129095.db2.gz JJRQZOPMGOYFFD-INIZCTEOSA-N 1 3 329.485 0.552 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000347908253 298532429 /nfs/dbraw/zinc/53/24/29/298532429.db2.gz PKNZJOSEWCWNRF-OAHLLOKOSA-N 1 3 326.485 0.587 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423686416 298964833 /nfs/dbraw/zinc/96/48/33/298964833.db2.gz TYTZYFVEDUKXGC-JYJNAYRXSA-N 1 3 336.480 0.802 20 0 ECADHO CSC1(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CCN(C)CC1 ZINC000360693610 300016613 /nfs/dbraw/zinc/01/66/13/300016613.db2.gz KRJIHZKJQHZOPE-CQSZACIVSA-N 1 3 332.514 0.426 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1=O ZINC000361710961 300118315 /nfs/dbraw/zinc/11/83/15/300118315.db2.gz DXJGLMQIZFYEOK-OAGGEKHMSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1=O ZINC000361710961 300118317 /nfs/dbraw/zinc/11/83/17/300118317.db2.gz DXJGLMQIZFYEOK-OAGGEKHMSA-N 1 3 336.480 0.339 20 0 ECADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCCCN2)c1 ZINC000364492516 300361739 /nfs/dbraw/zinc/36/17/39/300361739.db2.gz RWIXOBXWUNFXOJ-CQSZACIVSA-N 1 3 340.449 0.394 20 0 ECADHO O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@H]1C[C@@H](O)CN1 ZINC000365157389 300424615 /nfs/dbraw/zinc/42/46/15/300424615.db2.gz SEFIAXYXCYOZOD-RBSFLKMASA-N 1 3 333.388 0.257 20 0 ECADHO NC(=O)CC[C@H](N)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000365277231 300436944 /nfs/dbraw/zinc/43/69/44/300436944.db2.gz SXQVHERMHGVKII-ZDUSSCGKSA-N 1 3 342.509 0.447 20 0 ECADHO CCCN1CCN(C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC1 ZINC000369158470 300711430 /nfs/dbraw/zinc/71/14/30/300711430.db2.gz XVMFTJSURNIHNA-GOSISDBHSA-N 1 3 335.496 0.736 20 0 ECADHO C[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000074104884 436105002 /nfs/dbraw/zinc/10/50/02/436105002.db2.gz DELRMLWLDVXGHW-HNNXBMFYSA-N 1 3 325.501 0.511 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371231528 300898706 /nfs/dbraw/zinc/89/87/06/300898706.db2.gz WSDWGWVNOVMWSA-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073216933 436072380 /nfs/dbraw/zinc/07/23/80/436072380.db2.gz FKHSLGYOPAKPJE-OAHLLOKOSA-N 1 3 342.484 0.507 20 0 ECADHO CC[NH+](CC)CCOC1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000073246579 436073376 /nfs/dbraw/zinc/07/33/76/436073376.db2.gz CAZRPCWRMAEBHH-ZDUSSCGKSA-N 1 3 334.482 0.769 20 0 ECADHO C[C@@H](CNC(=O)NCC[NH+]1CCC(C)CC1)CN1CCN(C)CC1 ZINC000073659260 436088338 /nfs/dbraw/zinc/08/83/38/436088338.db2.gz HHPZXBGZJXTEQF-KRWDZBQOSA-N 1 3 339.528 0.901 20 0 ECADHO CN(CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)Cc1ccccc1 ZINC000074227799 436113464 /nfs/dbraw/zinc/11/34/64/436113464.db2.gz ZPCRFHAHGOPVMQ-QGZVFWFLSA-N 1 3 346.475 0.645 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1(C)C ZINC000376181980 301240648 /nfs/dbraw/zinc/24/06/48/301240648.db2.gz PHQKVKRHCMKYSE-WBOJAVRRSA-N 1 3 325.453 0.498 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1(C)C ZINC000376181980 301240651 /nfs/dbraw/zinc/24/06/51/301240651.db2.gz PHQKVKRHCMKYSE-WBOJAVRRSA-N 1 3 325.453 0.498 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)[C@]2(CCOC)CC[NH2+]C2)CC1 ZINC000378203999 301420282 /nfs/dbraw/zinc/42/02/82/301420282.db2.gz KENHFLUXVWDTRB-RDJZCZTQSA-N 1 3 326.485 0.145 20 0 ECADHO CN1CCN(C(C)(C)CNC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000078987340 436287416 /nfs/dbraw/zinc/28/74/16/436287416.db2.gz IDIYMTVTNUPJQP-UHFFFAOYSA-N 1 3 325.501 0.798 20 0 ECADHO COC(=O)c1ccnc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000515975512 301653341 /nfs/dbraw/zinc/65/33/41/301653341.db2.gz UVJVWPYJEWMZBW-UHFFFAOYSA-N 1 3 337.424 0.825 20 0 ECADHO CN1CCC(C[NH2+]C[C@@H](O)CC(F)(F)F)(N2CCOCC2)CC1 ZINC000516276518 301662111 /nfs/dbraw/zinc/66/21/11/301662111.db2.gz BUKYFSJIWKUUQS-ZDUSSCGKSA-N 1 3 339.402 0.686 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000085395670 436386993 /nfs/dbraw/zinc/38/69/93/436386993.db2.gz NTWPSSWIXCUGPJ-BZUAXINKSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000519608902 301749138 /nfs/dbraw/zinc/74/91/38/301749138.db2.gz PJHYYKSKVYCRLE-BBRMVZONSA-N 1 3 332.448 0.528 20 0 ECADHO CC(C)NC(=O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759278 436495425 /nfs/dbraw/zinc/49/54/25/436495425.db2.gz KGQFNYUVNNJPRP-UHFFFAOYSA-N 1 3 339.484 0.369 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCCN1CCN(C)CC1 ZINC000531011643 302038533 /nfs/dbraw/zinc/03/85/33/302038533.db2.gz ZGJZRRZTMICPHT-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCCN1CCN(C)CC1 ZINC000531011643 302038536 /nfs/dbraw/zinc/03/85/36/302038536.db2.gz ZGJZRRZTMICPHT-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[NH+]1CCC(C)CC1 ZINC000114182123 436639978 /nfs/dbraw/zinc/63/99/78/436639978.db2.gz YKDGPYJXWKDPFS-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO CN(CCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccncc1 ZINC000542784305 302204370 /nfs/dbraw/zinc/20/43/70/302204370.db2.gz DWEVVRYYOHVIIL-OAHLLOKOSA-N 1 3 347.463 0.612 20 0 ECADHO CN(CCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccncc1 ZINC000542784305 302204373 /nfs/dbraw/zinc/20/43/73/302204373.db2.gz DWEVVRYYOHVIIL-OAHLLOKOSA-N 1 3 347.463 0.612 20 0 ECADHO C[C@H]1CCCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000549882995 302342475 /nfs/dbraw/zinc/34/24/75/302342475.db2.gz YRVQISIWKMICQN-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000551884661 302368293 /nfs/dbraw/zinc/36/82/93/302368293.db2.gz QGRHJXNVADYIEJ-OWCLPIDISA-N 1 3 340.512 0.879 20 0 ECADHO CC[C@]1(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC[NH2+]C1 ZINC000119642771 436669486 /nfs/dbraw/zinc/66/94/86/436669486.db2.gz QJJDSNAXMGSTCY-IBGZPJMESA-N 1 3 346.475 0.984 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)C1 ZINC000558281590 302466270 /nfs/dbraw/zinc/46/62/70/302466270.db2.gz UKJXXDMRAGXLEC-BZUAXINKSA-N 1 3 340.512 0.879 20 0 ECADHO CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120230404 436681792 /nfs/dbraw/zinc/68/17/92/436681792.db2.gz AGVOGWSNABCFFA-MRXNPFEDSA-N 1 3 348.495 0.485 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000236942580 436719783 /nfs/dbraw/zinc/71/97/83/436719783.db2.gz FZZZNTDDEBDHMK-GOSISDBHSA-N 1 3 330.476 0.845 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)CN1CCN(C)CC1 ZINC000246123894 436773035 /nfs/dbraw/zinc/77/30/35/436773035.db2.gz AIWRDMQBBCQVGG-IXDOHACOSA-N 1 3 339.528 0.852 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)CN1CCN(C)CC1 ZINC000246123894 436773040 /nfs/dbraw/zinc/77/30/40/436773040.db2.gz AIWRDMQBBCQVGG-IXDOHACOSA-N 1 3 339.528 0.852 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1)C1CCC1 ZINC000156983006 436822004 /nfs/dbraw/zinc/82/20/04/436822004.db2.gz XAOPAAMBNYBJNI-UHFFFAOYSA-N 1 3 336.480 0.626 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)C1CCC1 ZINC000156983006 436822006 /nfs/dbraw/zinc/82/20/06/436822006.db2.gz XAOPAAMBNYBJNI-UHFFFAOYSA-N 1 3 336.480 0.626 20 0 ECADHO CN(CC(=O)N1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)C1CCC1 ZINC000156983006 436822008 /nfs/dbraw/zinc/82/20/08/436822008.db2.gz XAOPAAMBNYBJNI-UHFFFAOYSA-N 1 3 336.480 0.626 20 0 ECADHO COCCN1CCC(NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173920531 437068131 /nfs/dbraw/zinc/06/81/31/437068131.db2.gz AYGJBQFGIUURES-UHFFFAOYSA-N 1 3 338.456 0.677 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331436065 437095766 /nfs/dbraw/zinc/09/57/66/437095766.db2.gz QXVPDVMSJYVUJG-UGUYLWEFSA-N 1 3 336.480 0.563 20 0 ECADHO CC1=CCN(CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000331486142 437104599 /nfs/dbraw/zinc/10/45/99/437104599.db2.gz ODKYUXMFXTWESS-UHFFFAOYSA-N 1 3 337.512 0.964 20 0 ECADHO CC1=CCN(CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000331486142 437104604 /nfs/dbraw/zinc/10/46/04/437104604.db2.gz ODKYUXMFXTWESS-UHFFFAOYSA-N 1 3 337.512 0.964 20 0 ECADHO CCN1CCN(c2ccccc2CN2CCN(CCO)CC2)CC1 ZINC000305183533 437162800 /nfs/dbraw/zinc/16/28/00/437162800.db2.gz IARGWOXILXFIJA-UHFFFAOYSA-N 1 3 332.492 0.938 20 0 ECADHO CC[NH+]1CCN(c2ccccc2CN2CCN(CCO)CC2)CC1 ZINC000305183533 437162806 /nfs/dbraw/zinc/16/28/06/437162806.db2.gz IARGWOXILXFIJA-UHFFFAOYSA-N 1 3 332.492 0.938 20 0 ECADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCCN2CCN(C)CC2)C1(C)C ZINC000323165102 437221227 /nfs/dbraw/zinc/22/12/27/437221227.db2.gz KMFDKQZBCJIJNS-PBHICJAKSA-N 1 3 326.485 0.273 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H](C[NH3+])C3CCCCC3)C[C@H]2N)cn1 ZINC000333615044 437277638 /nfs/dbraw/zinc/27/76/38/437277638.db2.gz SOFPZBPWSHYMSV-ARFHVFGLSA-N 1 3 334.468 0.764 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333726803 437282387 /nfs/dbraw/zinc/28/23/87/437282387.db2.gz HEHJLVZYPTVQII-ZACQAIPSSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000288724617 437348398 /nfs/dbraw/zinc/34/83/98/437348398.db2.gz TXHIWXWODVVEFG-RDJZCZTQSA-N 1 3 346.475 0.643 20 0 ECADHO C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184965227 437421352 /nfs/dbraw/zinc/42/13/52/437421352.db2.gz DKJPHTASQDVXNF-OIISXLGYSA-N 1 3 346.475 0.991 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000339633888 437481535 /nfs/dbraw/zinc/48/15/35/437481535.db2.gz GNHKKOPVKOQQPV-UHFFFAOYSA-N 1 3 336.480 0.718 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000339669203 437487328 /nfs/dbraw/zinc/48/73/28/437487328.db2.gz TYVYYRRMLLUNQP-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000339669203 437487336 /nfs/dbraw/zinc/48/73/36/437487336.db2.gz TYVYYRRMLLUNQP-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CC(C)C[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000186020694 437458899 /nfs/dbraw/zinc/45/88/99/437458899.db2.gz CXBFYEBCHFDKTF-MQVJKMGUSA-N 1 3 340.512 0.785 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CC(C)C[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000186020694 437458901 /nfs/dbraw/zinc/45/89/01/437458901.db2.gz CXBFYEBCHFDKTF-MQVJKMGUSA-N 1 3 340.512 0.785 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CC(C)C[C@H]1C(=O)NCC[N@H+](C)CC ZINC000186020694 437458905 /nfs/dbraw/zinc/45/89/05/437458905.db2.gz CXBFYEBCHFDKTF-MQVJKMGUSA-N 1 3 340.512 0.785 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CC(C)C[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000186020694 437458909 /nfs/dbraw/zinc/45/89/09/437458909.db2.gz CXBFYEBCHFDKTF-MQVJKMGUSA-N 1 3 340.512 0.785 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C(C)(C)C[NH+](C)C ZINC000339401452 437463017 /nfs/dbraw/zinc/46/30/17/437463017.db2.gz AYNFENICRKABDJ-KFWWJZLASA-N 1 3 338.496 0.774 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000339671882 437491601 /nfs/dbraw/zinc/49/16/01/437491601.db2.gz RFHPRKGGLVZIQE-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000187010280 437492040 /nfs/dbraw/zinc/49/20/40/437492040.db2.gz CGPMREDIADDJJF-KKUMJFAQSA-N 1 3 342.484 0.947 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000343298457 437551002 /nfs/dbraw/zinc/55/10/02/437551002.db2.gz GBXRXRHTTSKTAB-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000343298457 437551008 /nfs/dbraw/zinc/55/10/08/437551008.db2.gz GBXRXRHTTSKTAB-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000354477397 437626533 /nfs/dbraw/zinc/62/65/33/437626533.db2.gz MYEYQZXSICJDQJ-INIZCTEOSA-N 1 3 340.512 0.487 20 0 ECADHO C[C@@H]1CN(CCCS(=O)(=O)N(C)C)CCN1C1CC[NH+](C)CC1 ZINC000343751476 437647038 /nfs/dbraw/zinc/64/70/38/437647038.db2.gz PNKQRFGLQVCMRL-OAHLLOKOSA-N 1 3 346.541 0.368 20 0 ECADHO C[C@@H]1[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCN1C ZINC000343776180 437654574 /nfs/dbraw/zinc/65/45/74/437654574.db2.gz CUZDIZUAYNVUHT-RBSFLKMASA-N 1 3 339.484 0.356 20 0 ECADHO C[C@@H]1[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCN1C ZINC000343776180 437654576 /nfs/dbraw/zinc/65/45/76/437654576.db2.gz CUZDIZUAYNVUHT-RBSFLKMASA-N 1 3 339.484 0.356 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343781008 437655078 /nfs/dbraw/zinc/65/50/78/437655078.db2.gz MJOGYOUNUCZFNM-OAHLLOKOSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000343781008 437655082 /nfs/dbraw/zinc/65/50/82/437655082.db2.gz MJOGYOUNUCZFNM-OAHLLOKOSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340481168 437661774 /nfs/dbraw/zinc/66/17/74/437661774.db2.gz KBFGLICYOSINDB-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340481168 437661778 /nfs/dbraw/zinc/66/17/78/437661778.db2.gz KBFGLICYOSINDB-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(CCC(=O)N2CCOCC2)CC[N@@H+]1C1CCN(C)CC1 ZINC000355032895 437664237 /nfs/dbraw/zinc/66/42/37/437664237.db2.gz PTLTWGCHIRGUEZ-MRXNPFEDSA-N 1 3 338.496 0.336 20 0 ECADHO C[C@@H]1CN(CCC(=O)N2CCOCC2)CC[N@H+]1C1CCN(C)CC1 ZINC000355032895 437664242 /nfs/dbraw/zinc/66/42/42/437664242.db2.gz PTLTWGCHIRGUEZ-MRXNPFEDSA-N 1 3 338.496 0.336 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000340496675 437671781 /nfs/dbraw/zinc/67/17/81/437671781.db2.gz KXUSGZDHQOSLSZ-INIZCTEOSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340507909 437678234 /nfs/dbraw/zinc/67/82/34/437678234.db2.gz GZVZQSXHGHEFNF-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340507909 437678240 /nfs/dbraw/zinc/67/82/40/437678240.db2.gz GZVZQSXHGHEFNF-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1CCN(CCO)CC1 ZINC000340558507 437694573 /nfs/dbraw/zinc/69/45/73/437694573.db2.gz VGMARXZIKGNWPR-KRWDZBQOSA-N 1 3 341.496 0.600 20 0 ECADHO CC(C)COC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343919596 437695583 /nfs/dbraw/zinc/69/55/83/437695583.db2.gz GMCJCONBRFMQFM-KURKYZTESA-N 1 3 327.513 0.978 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000355407955 437706475 /nfs/dbraw/zinc/70/64/75/437706475.db2.gz DJAGRMYTJZZCKX-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000344001127 437716346 /nfs/dbraw/zinc/71/63/46/437716346.db2.gz WQIUQNBYYUKJNW-QLFBSQMISA-N 1 3 332.514 0.577 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000344001127 437716350 /nfs/dbraw/zinc/71/63/50/437716350.db2.gz WQIUQNBYYUKJNW-QLFBSQMISA-N 1 3 332.514 0.577 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000356501857 437772883 /nfs/dbraw/zinc/77/28/83/437772883.db2.gz GQPMFDAVLAIQOD-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000356501857 437772884 /nfs/dbraw/zinc/77/28/84/437772884.db2.gz GQPMFDAVLAIQOD-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340832578 437749122 /nfs/dbraw/zinc/74/91/22/437749122.db2.gz VHCAXTAUWGCRRV-HYVNUMGLSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340832578 437749127 /nfs/dbraw/zinc/74/91/27/437749127.db2.gz VHCAXTAUWGCRRV-HYVNUMGLSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)[C@H]1CN ZINC000423733473 437818203 /nfs/dbraw/zinc/81/82/03/437818203.db2.gz NQYNYXNZJGFNDY-HOCLYGCPSA-N 1 3 338.496 0.763 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423765002 437827291 /nfs/dbraw/zinc/82/72/91/437827291.db2.gz UHPQQHOZSDRVGJ-UHFFFAOYSA-N 1 3 348.426 0.970 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000356522931 437776464 /nfs/dbraw/zinc/77/64/64/437776464.db2.gz LSMSQPWGAIDRPQ-CABCVRRESA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000356522931 437776466 /nfs/dbraw/zinc/77/64/66/437776466.db2.gz LSMSQPWGAIDRPQ-CABCVRRESA-N 1 3 338.496 0.822 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000415303090 437777942 /nfs/dbraw/zinc/77/79/42/437777942.db2.gz DIGDEFDAOCPIPP-UHFFFAOYSA-N 1 3 336.436 0.600 20 0 ECADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423618087 437780313 /nfs/dbraw/zinc/78/03/13/437780313.db2.gz HDGCQFLSWABUKE-HOTGVXAUSA-N 1 3 336.480 0.517 20 0 ECADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423618087 437780317 /nfs/dbraw/zinc/78/03/17/437780317.db2.gz HDGCQFLSWABUKE-HOTGVXAUSA-N 1 3 336.480 0.517 20 0 ECADHO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415313965 437780552 /nfs/dbraw/zinc/78/05/52/437780552.db2.gz FNTSAOPCATYINP-UHFFFAOYSA-N 1 3 334.420 0.387 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000356549026 437786471 /nfs/dbraw/zinc/78/64/71/437786471.db2.gz MTOAYXAPYFGYTM-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000356549026 437786477 /nfs/dbraw/zinc/78/64/77/437786477.db2.gz MTOAYXAPYFGYTM-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c(OCCN(C)C)c1 ZINC000415421776 437799595 /nfs/dbraw/zinc/79/95/95/437799595.db2.gz VPNHHRSGDXYUFL-CYBMUJFWSA-N 1 3 336.436 0.680 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)CC[C@@H]1[NH3+] ZINC000415434071 437803057 /nfs/dbraw/zinc/80/30/57/437803057.db2.gz AOUZHGRTKDVLGN-CJNGLKHVSA-N 1 3 348.447 0.761 20 0 ECADHO COCCN1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000341173936 437809115 /nfs/dbraw/zinc/80/91/15/437809115.db2.gz WOLPIKBBZDXYQV-HOTGVXAUSA-N 1 3 342.484 0.459 20 0 ECADHO C[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000341599720 437872973 /nfs/dbraw/zinc/87/29/73/437872973.db2.gz VPSJFVSPQOAPLP-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)c2)CC1 ZINC000415739582 437851618 /nfs/dbraw/zinc/85/16/18/437851618.db2.gz VNSXPFXYKMBHST-UHFFFAOYSA-N 1 3 345.447 0.197 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000415780521 437858692 /nfs/dbraw/zinc/85/86/92/437858692.db2.gz IOFNAZPYCKKLNE-QWHCGFSZSA-N 1 3 336.436 0.726 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])c2)CC1 ZINC000415803382 437861150 /nfs/dbraw/zinc/86/11/50/437861150.db2.gz IHRVESBNRNFXDZ-UONOGXRCSA-N 1 3 347.463 0.619 20 0 ECADHO NC(=O)CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424335887 437922249 /nfs/dbraw/zinc/92/22/49/437922249.db2.gz PQMPNUKITJNQIQ-HZPDHXFCSA-N 1 3 332.448 0.750 20 0 ECADHO O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@H]1C[C@H](O)CN1 ZINC000365328477 437894064 /nfs/dbraw/zinc/89/40/64/437894064.db2.gz SEFIAXYXCYOZOD-QLFBSQMISA-N 1 3 333.388 0.257 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424161637 437897348 /nfs/dbraw/zinc/89/73/48/437897348.db2.gz BZGGHDOGNYHPHK-GOEBONIOSA-N 1 3 340.431 0.819 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(N(C)C)CC2)CC1=O ZINC000416299475 437908588 /nfs/dbraw/zinc/90/85/88/437908588.db2.gz GFMOJDONBUFWMS-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(N(C)C)CC2)CC1=O ZINC000416299475 437908598 /nfs/dbraw/zinc/90/85/98/437908598.db2.gz GFMOJDONBUFWMS-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000371269747 437908745 /nfs/dbraw/zinc/90/87/45/437908745.db2.gz BNDBGYXZMICLPR-OAHLLOKOSA-N 1 3 348.495 0.629 20 0 ECADHO CN(C)[C@@H]1CCC[C@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000357237110 437940317 /nfs/dbraw/zinc/94/03/17/437940317.db2.gz GGAOJXPPWXHLBI-QWHCGFSZSA-N 1 3 331.482 0.142 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCNC(C)(C)C2)CC1=O ZINC000357319390 437964959 /nfs/dbraw/zinc/96/49/59/437964959.db2.gz HXFYKYWGWMKTQD-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCNC(C)(C)C2)CC1=O ZINC000357319390 437964963 /nfs/dbraw/zinc/96/49/63/437964963.db2.gz HXFYKYWGWMKTQD-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)N(C)C1CC1 ZINC000342094444 437967008 /nfs/dbraw/zinc/96/70/08/437967008.db2.gz YPMYZGDKAKYUGG-IJEWVQPXSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)N(C)C1CC1 ZINC000342094444 437967012 /nfs/dbraw/zinc/96/70/12/437967012.db2.gz YPMYZGDKAKYUGG-IJEWVQPXSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)NCC1C[NH2+]C1 ZINC000417013506 438013088 /nfs/dbraw/zinc/01/30/88/438013088.db2.gz CNJXZDBUDGWCDV-UHFFFAOYSA-N 1 3 345.491 0.713 20 0 ECADHO COCC[NH2+]CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000417014446 438014035 /nfs/dbraw/zinc/01/40/35/438014035.db2.gz DGQZRDSRJYMYKC-UHFFFAOYSA-N 1 3 334.464 0.970 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417031546 438016143 /nfs/dbraw/zinc/01/61/43/438016143.db2.gz DSHRKSXIVJPBMB-JKSUJKDBSA-N 1 3 325.501 0.701 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000342516241 438023696 /nfs/dbraw/zinc/02/36/96/438023696.db2.gz SJHJOIQVBHJTEI-GOSISDBHSA-N 1 3 334.464 0.657 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425389374 438024113 /nfs/dbraw/zinc/02/41/13/438024113.db2.gz PPBWQKIRTKKNTA-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425389374 438024121 /nfs/dbraw/zinc/02/41/21/438024121.db2.gz PPBWQKIRTKKNTA-OWCLPIDISA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000416796890 437994285 /nfs/dbraw/zinc/99/42/85/437994285.db2.gz AFNNJMWSURUUFS-QGZVFWFLSA-N 1 3 333.480 0.884 20 0 ECADHO CN1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416821344 437995795 /nfs/dbraw/zinc/99/57/95/437995795.db2.gz DJTSDRODHAHWJB-LBPRGKRZSA-N 1 3 337.390 0.216 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000366012105 438005360 /nfs/dbraw/zinc/00/53/60/438005360.db2.gz VHKPBILRUHYQDN-INIZCTEOSA-N 1 3 326.485 0.239 20 0 ECADHO COCC1(CNC(=O)NC[C@@]2(N(C)C)CCSC2)CC[NH2+]CC1 ZINC000417813759 438080973 /nfs/dbraw/zinc/08/09/73/438080973.db2.gz GYUUZUULBNPMCV-INIZCTEOSA-N 1 3 344.525 0.739 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)NC[C@H]1CCC[NH2+]1 ZINC000417993039 438098497 /nfs/dbraw/zinc/09/84/97/438098497.db2.gz NJOZUJUSNOGTFU-SJORKVTESA-N 1 3 332.448 0.804 20 0 ECADHO COCCN(C)CC[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000357924829 438101413 /nfs/dbraw/zinc/10/14/13/438101413.db2.gz OUJLATXLQGYENN-IXDOHACOSA-N 1 3 335.448 0.535 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NCC2([NH3+])CCC2)c1 ZINC000417474166 438054403 /nfs/dbraw/zinc/05/44/03/438054403.db2.gz MPKCBSAIOMWNJS-UHFFFAOYSA-N 1 3 347.463 0.659 20 0 ECADHO CC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CCN1CCOC ZINC000357757674 438061132 /nfs/dbraw/zinc/06/11/32/438061132.db2.gz SWBKEKHHICUJMH-TVFCKZIOSA-N 1 3 343.512 0.499 20 0 ECADHO CC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1CCOC ZINC000357757674 438061135 /nfs/dbraw/zinc/06/11/35/438061135.db2.gz SWBKEKHHICUJMH-TVFCKZIOSA-N 1 3 343.512 0.499 20 0 ECADHO CC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC[N@H+]1CCOC ZINC000357757674 438061139 /nfs/dbraw/zinc/06/11/39/438061139.db2.gz SWBKEKHHICUJMH-TVFCKZIOSA-N 1 3 343.512 0.499 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000417758552 438076480 /nfs/dbraw/zinc/07/64/80/438076480.db2.gz VHFXGKDPSXZJBH-PMPSAXMXSA-N 1 3 325.501 0.639 20 0 ECADHO O=C(C[C@@H]1C[NH2+]CCO1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430678754 438120465 /nfs/dbraw/zinc/12/04/65/438120465.db2.gz KESKCBSKPVWKBH-QGZVFWFLSA-N 1 3 333.432 0.960 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000430780961 438122504 /nfs/dbraw/zinc/12/25/04/438122504.db2.gz QOBXCUHNGJLLKU-CVEARBPZSA-N 1 3 327.469 0.714 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)CC1(C)C ZINC000373019263 438126300 /nfs/dbraw/zinc/12/63/00/438126300.db2.gz CXDVCJGKIILXGB-HOTGVXAUSA-N 1 3 337.512 0.748 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)CC1(C)C ZINC000373019263 438126302 /nfs/dbraw/zinc/12/63/02/438126302.db2.gz CXDVCJGKIILXGB-HOTGVXAUSA-N 1 3 337.512 0.748 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)COC3CNC3)cc2)C1 ZINC000430867995 438127477 /nfs/dbraw/zinc/12/74/77/438127477.db2.gz MKOQWMNUOLZWOD-AWEZNQCLSA-N 1 3 346.431 0.311 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)COC3CNC3)cc2)C1 ZINC000430867995 438127479 /nfs/dbraw/zinc/12/74/79/438127479.db2.gz MKOQWMNUOLZWOD-AWEZNQCLSA-N 1 3 346.431 0.311 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000418069511 438105719 /nfs/dbraw/zinc/10/57/19/438105719.db2.gz PMYNPEXTIASXTK-OAHLLOKOSA-N 1 3 326.485 0.984 20 0 ECADHO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C3(N)CC3)cc2)CC1 ZINC000430915660 438128604 /nfs/dbraw/zinc/12/86/04/438128604.db2.gz QTBLRTJIUCXTIU-UHFFFAOYSA-N 1 3 330.432 0.856 20 0 ECADHO O=C(CNC(=O)N[C@@H]1CCC[NH2+]C1)NCCN1CCCCCC1 ZINC000418373973 438138990 /nfs/dbraw/zinc/13/89/90/438138990.db2.gz CHZWTGPLUPVXGM-CQSZACIVSA-N 1 3 325.457 0.030 20 0 ECADHO C[C@@H]1CN(CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@@H]1[NH3+] ZINC000430939125 438134576 /nfs/dbraw/zinc/13/45/76/438134576.db2.gz KGKGPFVQULWBDD-CVEARBPZSA-N 1 3 331.464 0.789 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)[C@H](C)C1 ZINC000358094637 438148704 /nfs/dbraw/zinc/14/87/04/438148704.db2.gz KBXWPWWZFPHGKB-HZPDHXFCSA-N 1 3 347.525 0.749 20 0 ECADHO COCCN(CCN(C)C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418691276 438176621 /nfs/dbraw/zinc/17/66/21/438176621.db2.gz YBNKTPIHXSECNG-DLBZAZTESA-N 1 3 334.464 0.962 20 0 ECADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000349758129 438176818 /nfs/dbraw/zinc/17/68/18/438176818.db2.gz MDMZBWFCKUMKBM-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000349758129 438176821 /nfs/dbraw/zinc/17/68/21/438176821.db2.gz MDMZBWFCKUMKBM-HNNXBMFYSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418749002 438181252 /nfs/dbraw/zinc/18/12/52/438181252.db2.gz LNOGDRLNVXCIFO-CYBMUJFWSA-N 1 3 336.427 0.983 20 0 ECADHO CN(CCCN(C)C(=O)NC[C@H]1C[NH2+]CCN1C)Cc1ccco1 ZINC000418751328 438182904 /nfs/dbraw/zinc/18/29/04/438182904.db2.gz AGAWIXBCFGASQR-OAHLLOKOSA-N 1 3 337.468 0.647 20 0 ECADHO COC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000367263773 438188067 /nfs/dbraw/zinc/18/80/67/438188067.db2.gz HEBKVQAHEKKLGA-UHFFFAOYSA-N 1 3 339.480 0.857 20 0 ECADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000349434298 438153021 /nfs/dbraw/zinc/15/30/21/438153021.db2.gz PGJYHNWWDAOVJJ-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000349434298 438153024 /nfs/dbraw/zinc/15/30/24/438153024.db2.gz PGJYHNWWDAOVJJ-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000418848198 438213892 /nfs/dbraw/zinc/21/38/92/438213892.db2.gz LBNHWFJOKKJYKV-JKSUJKDBSA-N 1 3 332.448 0.129 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000418857075 438219931 /nfs/dbraw/zinc/21/99/31/438219931.db2.gz YACFHUPKQRNKRZ-BHYGNILZSA-N 1 3 346.475 0.471 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418829304 438205186 /nfs/dbraw/zinc/20/51/86/438205186.db2.gz DLYDNGINJDKNBJ-HZPDHXFCSA-N 1 3 332.448 0.083 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000418982948 438270673 /nfs/dbraw/zinc/27/06/73/438270673.db2.gz BPHIQGXXDXSPSC-TZMCWYRMSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000418982948 438270674 /nfs/dbraw/zinc/27/06/74/438270674.db2.gz BPHIQGXXDXSPSC-TZMCWYRMSA-N 1 3 340.468 0.206 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)N3CCN(c4ccccn4)CC3)C[C@H]12 ZINC000351502268 438272586 /nfs/dbraw/zinc/27/25/86/438272586.db2.gz ZMJDJZBQBRMLDG-IXDOHACOSA-N 1 3 343.475 0.789 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000358679149 438278688 /nfs/dbraw/zinc/27/86/88/438278688.db2.gz HEMOUTNUDPSKRV-KRWDZBQOSA-N 1 3 326.485 0.864 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000358679156 438278928 /nfs/dbraw/zinc/27/89/28/438278928.db2.gz HEMOUTNUDPSKRV-QGZVFWFLSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCCCN(C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419000339 438279809 /nfs/dbraw/zinc/27/98/09/438279809.db2.gz OFAKSBXSXQHFRN-RDJZCZTQSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCCCN(C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419000340 438280050 /nfs/dbraw/zinc/28/00/50/438280050.db2.gz OFAKSBXSXQHFRN-WBVHZDCISA-N 1 3 346.475 0.820 20 0 ECADHO CN(CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419006054 438281743 /nfs/dbraw/zinc/28/17/43/438281743.db2.gz SJQVYDXAOJYSBO-DLBZAZTESA-N 1 3 346.475 0.868 20 0 ECADHO O=C(NCc1ccccc1CN1CCCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419004612 438282198 /nfs/dbraw/zinc/28/21/98/438282198.db2.gz FLAPTCBKQVFWAQ-KRWDZBQOSA-N 1 3 344.459 0.767 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)NCCCN(C)Cc2ccccc2)CC1 ZINC000419010676 438285705 /nfs/dbraw/zinc/28/57/05/438285705.db2.gz ZDKRKMRSVREXHH-UHFFFAOYSA-N 1 3 346.475 0.835 20 0 ECADHO CN(CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000419010578 438286115 /nfs/dbraw/zinc/28/61/15/438286115.db2.gz YUVNSUOGAULNQH-INIZCTEOSA-N 1 3 332.448 0.493 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419018634 438289610 /nfs/dbraw/zinc/28/96/10/438289610.db2.gz CMIIOGXWJFJIPP-KFWWJZLASA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000419021284 438291124 /nfs/dbraw/zinc/29/11/24/438291124.db2.gz GRVOQGOOOUQVDD-RDTXWAMCSA-N 1 3 338.496 0.810 20 0 ECADHO CCN(CCO)CCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433462134 438252111 /nfs/dbraw/zinc/25/21/11/438252111.db2.gz XYWWTFKEXOFCLV-HNNXBMFYSA-N 1 3 330.473 0.101 20 0 ECADHO CCN(CCO)CCNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433462134 438252114 /nfs/dbraw/zinc/25/21/14/438252114.db2.gz XYWWTFKEXOFCLV-HNNXBMFYSA-N 1 3 330.473 0.101 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000419106196 438322706 /nfs/dbraw/zinc/32/27/06/438322706.db2.gz CWFBSZUFGODRJK-INIZCTEOSA-N 1 3 336.480 0.753 20 0 ECADHO CCOC(=O)[C@@](C)(O)CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000368389960 438325705 /nfs/dbraw/zinc/32/57/05/438325705.db2.gz LCDAOQDIQFUMJP-WBVHZDCISA-N 1 3 327.469 0.260 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000419034010 438299915 /nfs/dbraw/zinc/29/99/15/438299915.db2.gz YXIHPXCJDCJZEE-LSDHHAIUSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419076970 438312824 /nfs/dbraw/zinc/31/28/24/438312824.db2.gz IJTGQBCBPIKICD-HOTGVXAUSA-N 1 3 338.496 0.955 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419080874 438312927 /nfs/dbraw/zinc/31/29/27/438312927.db2.gz QKDOYUQXJMFQEP-QAPCUYQASA-N 1 3 338.496 0.873 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420096430 438388199 /nfs/dbraw/zinc/38/81/99/438388199.db2.gz INLYUCYAVSYIDV-RVKKMQEKSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)C[C@H]1[NH3+] ZINC000419222035 438351306 /nfs/dbraw/zinc/35/13/06/438351306.db2.gz WQRDUDLOOWCUIB-CZUORRHYSA-N 1 3 348.447 0.049 20 0 ECADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000419429032 438357552 /nfs/dbraw/zinc/35/75/52/438357552.db2.gz UKJATMCQIOCHBW-KRWDZBQOSA-N 1 3 344.459 0.762 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1CN ZINC000419649579 438364604 /nfs/dbraw/zinc/36/46/04/438364604.db2.gz UBWYUVJYODFECM-CJNGLKHVSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C[C@H]1C[NH3+] ZINC000419692767 438366465 /nfs/dbraw/zinc/36/64/65/438366465.db2.gz HFMMQHMHMSEYIZ-KFWWJZLASA-N 1 3 336.480 0.563 20 0 ECADHO C[NH+](C)CCN1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000368692964 438368609 /nfs/dbraw/zinc/36/86/09/438368609.db2.gz QACDCEAKICBFFS-KRWDZBQOSA-N 1 3 328.476 0.905 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419701980 438368777 /nfs/dbraw/zinc/36/87/77/438368777.db2.gz ZREUKQWUSJAFLJ-SQWLQELKSA-N 1 3 336.480 0.848 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419874608 438375118 /nfs/dbraw/zinc/37/51/18/438375118.db2.gz ZYWPTOLHVOBMMM-HOTGVXAUSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000419947766 438378715 /nfs/dbraw/zinc/37/87/15/438378715.db2.gz DIIGUUHUYMSNNW-ZNMIVQPWSA-N 1 3 326.485 0.855 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419967919 438379624 /nfs/dbraw/zinc/37/96/24/438379624.db2.gz CJVBGZLTIFOOBC-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)o1 ZINC000420038116 438384206 /nfs/dbraw/zinc/38/42/06/438384206.db2.gz VXZFESLFYTWAGR-OAHLLOKOSA-N 1 3 336.436 0.332 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000359459044 438439418 /nfs/dbraw/zinc/43/94/18/438439418.db2.gz DUHRKSBTKFMBGT-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000359459044 438439423 /nfs/dbraw/zinc/43/94/23/438439423.db2.gz DUHRKSBTKFMBGT-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000359274635 438402035 /nfs/dbraw/zinc/40/20/35/438402035.db2.gz PBHAWIJEWFBWMU-AWEZNQCLSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000359274635 438402040 /nfs/dbraw/zinc/40/20/40/438402040.db2.gz PBHAWIJEWFBWMU-AWEZNQCLSA-N 1 3 326.485 0.776 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420430995 438406462 /nfs/dbraw/zinc/40/64/62/438406462.db2.gz NSKJWBXKKLQBOS-RISCZKNCSA-N 1 3 343.497 0.338 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000369586679 438492373 /nfs/dbraw/zinc/49/23/73/438492373.db2.gz GRSXDUNRHWKHMA-JKSUJKDBSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000369586679 438492375 /nfs/dbraw/zinc/49/23/75/438492375.db2.gz GRSXDUNRHWKHMA-JKSUJKDBSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000398115864 438452077 /nfs/dbraw/zinc/45/20/77/438452077.db2.gz FQPMXFBVBXCJJM-HOCLYGCPSA-N 1 3 342.447 0.877 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000422083853 438513537 /nfs/dbraw/zinc/51/35/37/438513537.db2.gz JLWXQRVIYGDHAU-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+](CC)CCCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353696144 438524660 /nfs/dbraw/zinc/52/46/60/438524660.db2.gz XFXWYSCLYPQKSY-UHFFFAOYSA-N 1 3 327.517 0.997 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000422297550 438548536 /nfs/dbraw/zinc/54/85/36/438548536.db2.gz QIRNMPVJIFBMFF-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000422297550 438548541 /nfs/dbraw/zinc/54/85/41/438548541.db2.gz QIRNMPVJIFBMFF-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422296575 438547706 /nfs/dbraw/zinc/54/77/06/438547706.db2.gz PAGKYOKPKZYXGU-CABCVRRESA-N 1 3 326.485 0.774 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422296575 438547710 /nfs/dbraw/zinc/54/77/10/438547710.db2.gz PAGKYOKPKZYXGU-CABCVRRESA-N 1 3 326.485 0.774 20 0 ECADHO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cc1S(N)(=O)=O ZINC000423018079 438628720 /nfs/dbraw/zinc/62/87/20/438628720.db2.gz QCCSDTDTQRWEBH-UONOGXRCSA-N 1 3 341.477 0.992 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423058175 438634604 /nfs/dbraw/zinc/63/46/04/438634604.db2.gz BMJQULDJSUBVHZ-GJZGRUSLSA-N 1 3 326.485 0.618 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000443059546 438638930 /nfs/dbraw/zinc/63/89/30/438638930.db2.gz MZBZPQAUPOGMCE-HNNXBMFYSA-N 1 3 348.447 0.625 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423148265 438643676 /nfs/dbraw/zinc/64/36/76/438643676.db2.gz FPFIBIKXVPAOOY-MAUKXSAKSA-N 1 3 334.464 0.285 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[C@@H]1C ZINC000410736549 438649249 /nfs/dbraw/zinc/64/92/49/438649249.db2.gz NZWUSUSLDQGMIG-JYJNAYRXSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[C@@H]1C ZINC000410736549 438649250 /nfs/dbraw/zinc/64/92/50/438649250.db2.gz NZWUSUSLDQGMIG-JYJNAYRXSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423214731 438649560 /nfs/dbraw/zinc/64/95/60/438649560.db2.gz MZTQNGWHICCCPZ-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000423260109 438654673 /nfs/dbraw/zinc/65/46/73/438654673.db2.gz PMXWEKFBMCRNKJ-MRXNPFEDSA-N 1 3 332.448 0.445 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423401160 438671947 /nfs/dbraw/zinc/67/19/47/438671947.db2.gz WXTUZLNQOZRGLV-JKSUJKDBSA-N 1 3 335.452 0.648 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414807837 438717578 /nfs/dbraw/zinc/71/75/78/438717578.db2.gz DHKPGSYFOKHFNJ-ZDUSSCGKSA-N 1 3 336.436 0.681 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000414881866 438718827 /nfs/dbraw/zinc/71/88/27/438718827.db2.gz LGNQKHXVFIEOPL-HNNXBMFYSA-N 1 3 335.452 0.652 20 0 ECADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574771273 438720259 /nfs/dbraw/zinc/72/02/59/438720259.db2.gz RKXAWIFKWVFNQN-QLFBSQMISA-N 1 3 337.468 0.204 20 0 ECADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574771273 438720264 /nfs/dbraw/zinc/72/02/64/438720264.db2.gz RKXAWIFKWVFNQN-QLFBSQMISA-N 1 3 337.468 0.204 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000574986308 438731415 /nfs/dbraw/zinc/73/14/15/438731415.db2.gz CBEPDIPJGVWQQD-UONOGXRCSA-N 1 3 332.452 0.777 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)CC1=O ZINC000456174980 438760514 /nfs/dbraw/zinc/76/05/14/438760514.db2.gz UKGPTDRKZOGNEQ-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000575932070 438760761 /nfs/dbraw/zinc/76/07/61/438760761.db2.gz AHEQYRICNJPODU-MHORFTMASA-N 1 3 343.512 0.499 20 0 ECADHO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000575932070 438760764 /nfs/dbraw/zinc/76/07/64/438760764.db2.gz AHEQYRICNJPODU-MHORFTMASA-N 1 3 343.512 0.499 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOC(N)=O)CC2)CC1 ZINC000497257879 438785950 /nfs/dbraw/zinc/78/59/50/438785950.db2.gz RIJOWWQZKQDCAN-UHFFFAOYSA-N 1 3 326.441 0.808 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000556797056 438789367 /nfs/dbraw/zinc/78/93/67/438789367.db2.gz PJBVOKIUCQYZJU-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000556797056 438789371 /nfs/dbraw/zinc/78/93/71/438789371.db2.gz PJBVOKIUCQYZJU-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000514616431 438817154 /nfs/dbraw/zinc/81/71/54/438817154.db2.gz OZYABBDXPCCUIA-HZSPNIEDSA-N 1 3 325.457 0.060 20 0 ECADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000514616431 438817159 /nfs/dbraw/zinc/81/71/59/438817159.db2.gz OZYABBDXPCCUIA-HZSPNIEDSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NC2CNC2)C[N@@H+]1Cc1ccccc1 ZINC000577209171 438823769 /nfs/dbraw/zinc/82/37/69/438823769.db2.gz SXWPYNOSBWKBDB-GDBMZVCRSA-N 1 3 344.459 0.491 20 0 ECADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NC2CNC2)C[N@H+]1Cc1ccccc1 ZINC000577209171 438823774 /nfs/dbraw/zinc/82/37/74/438823774.db2.gz SXWPYNOSBWKBDB-GDBMZVCRSA-N 1 3 344.459 0.491 20 0 ECADHO CN(C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000577270160 438828544 /nfs/dbraw/zinc/82/85/44/438828544.db2.gz QTMHTPDBSVTPAK-GOSISDBHSA-N 1 3 345.491 0.808 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000578185449 438903730 /nfs/dbraw/zinc/90/37/30/438903730.db2.gz FGKQVQQHCFZQTQ-QXSJWSMHSA-N 1 3 334.464 0.140 20 0 ECADHO Cc1cc(N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)n2ncnc2n1 ZINC000515373714 438864106 /nfs/dbraw/zinc/86/41/06/438864106.db2.gz LHQQLDFRVOKIPM-DZGCQCFKSA-N 1 3 329.452 0.943 20 0 ECADHO C[NH+]1CCC(CCNC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000458287043 438868385 /nfs/dbraw/zinc/86/83/85/438868385.db2.gz PEMIJPDFLAEWKC-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO Cc1c(C(=O)NCCNc2ccncc2)nnn1C1CC[NH2+]CC1 ZINC000564915019 438884851 /nfs/dbraw/zinc/88/48/51/438884851.db2.gz RPMBGTHXUKGHDJ-UHFFFAOYSA-N 1 3 329.408 0.170 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])N(C)Cc1ccccc1 ZINC000578323510 438914399 /nfs/dbraw/zinc/91/43/99/438914399.db2.gz LIBXSPWGMYDJKK-SOUVJXGZSA-N 1 3 334.464 0.865 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H](C)C[C@H](C)[NH3+])C(=O)NCCN(C)C ZINC000517028996 438946529 /nfs/dbraw/zinc/94/65/29/438946529.db2.gz UKBUNTMEZXUTSC-MJBXVCDLSA-N 1 3 329.489 0.504 20 0 ECADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000565383022 438947657 /nfs/dbraw/zinc/94/76/57/438947657.db2.gz FQCCVWLQLRPRNF-UHFFFAOYSA-N 1 3 342.484 0.014 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000517233245 438955326 /nfs/dbraw/zinc/95/53/26/438955326.db2.gz MAPGESWMJMUGQE-RDJZCZTQSA-N 1 3 344.459 0.577 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000517233245 438955332 /nfs/dbraw/zinc/95/53/32/438955332.db2.gz MAPGESWMJMUGQE-RDJZCZTQSA-N 1 3 344.459 0.577 20 0 ECADHO CCNC(=O)CCN1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000565551360 438962725 /nfs/dbraw/zinc/96/27/25/438962725.db2.gz YXEVJMMPFOWLFQ-KRWDZBQOSA-N 1 3 338.496 0.779 20 0 ECADHO CCNC(=O)CCN1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000565551360 438962729 /nfs/dbraw/zinc/96/27/29/438962729.db2.gz YXEVJMMPFOWLFQ-KRWDZBQOSA-N 1 3 338.496 0.779 20 0 ECADHO CCN1CCC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000517577484 438970431 /nfs/dbraw/zinc/97/04/31/438970431.db2.gz ZYLWIYCMYFCYIO-JKSUJKDBSA-N 1 3 326.485 0.863 20 0 ECADHO O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000578979662 438971041 /nfs/dbraw/zinc/97/10/41/438971041.db2.gz PMLODKXRMZQIFR-IAGOWNOFSA-N 1 3 332.448 0.939 20 0 ECADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)Cn1cccn1 ZINC000579223832 438989787 /nfs/dbraw/zinc/98/97/87/438989787.db2.gz XFUBLWBVSJHHKS-ROUUACIJSA-N 1 3 330.432 0.600 20 0 ECADHO COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596692700 438990578 /nfs/dbraw/zinc/99/05/78/438990578.db2.gz LMVHXSQZFOKKRT-UONOGXRCSA-N 1 3 328.457 0.463 20 0 ECADHO COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596692700 438990581 /nfs/dbraw/zinc/99/05/81/438990581.db2.gz LMVHXSQZFOKKRT-UONOGXRCSA-N 1 3 328.457 0.463 20 0 ECADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](O)Cn2ccnn2)CC1 ZINC000459702087 438991033 /nfs/dbraw/zinc/99/10/33/438991033.db2.gz RCUNTDUJBTWXAH-KRWDZBQOSA-N 1 3 344.463 0.571 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000566058338 438999745 /nfs/dbraw/zinc/99/97/45/438999745.db2.gz YPSVJMZFALCVFL-INIZCTEOSA-N 1 3 327.517 0.947 20 0 ECADHO CSCC[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566206068 439025207 /nfs/dbraw/zinc/02/52/07/439025207.db2.gz MONGYGAKGRHQMU-ZJUUUORDSA-N 1 3 328.404 0.019 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459942688 439040662 /nfs/dbraw/zinc/04/06/62/439040662.db2.gz ZQWDVERHBZPUGE-UHFFFAOYSA-N 1 3 336.480 0.626 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000602522575 439105352 /nfs/dbraw/zinc/10/53/52/439105352.db2.gz DUXMWKVVKFLOLA-GVDBMIGSSA-N 1 3 342.443 0.279 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000602522575 439105356 /nfs/dbraw/zinc/10/53/56/439105356.db2.gz DUXMWKVVKFLOLA-GVDBMIGSSA-N 1 3 342.443 0.279 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000580634395 439112880 /nfs/dbraw/zinc/11/28/80/439112880.db2.gz MYDLBYBFWJODPT-ILXRZTDVSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000566508833 439067221 /nfs/dbraw/zinc/06/72/21/439067221.db2.gz LZOJQWWYLHXVMP-TUKIKUTGSA-N 1 3 331.420 0.160 20 0 ECADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000521842772 439129905 /nfs/dbraw/zinc/12/99/05/439129905.db2.gz KQNCHZIPKYJDTO-BDXSIMOUSA-N 1 3 344.459 0.795 20 0 ECADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)CN1CCN(C)CC1 ZINC000567680878 439163365 /nfs/dbraw/zinc/16/33/65/439163365.db2.gz HBMASJYTFJUOIQ-XDNAFOTISA-N 1 3 326.529 0.551 20 0 ECADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)CN1CCN(C)CC1 ZINC000567680878 439163370 /nfs/dbraw/zinc/16/33/70/439163370.db2.gz HBMASJYTFJUOIQ-XDNAFOTISA-N 1 3 326.529 0.551 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000567680878 439163375 /nfs/dbraw/zinc/16/33/75/439163375.db2.gz HBMASJYTFJUOIQ-XDNAFOTISA-N 1 3 326.529 0.551 20 0 ECADHO Cc1cc(NC(=O)CCNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)no1 ZINC000567689279 439164093 /nfs/dbraw/zinc/16/40/93/439164093.db2.gz GTJVQSJADQRMMW-LSDHHAIUSA-N 1 3 336.436 1.279 20 0 ECADHO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC000581071825 439165317 /nfs/dbraw/zinc/16/53/17/439165317.db2.gz JJBOKQDXQUDXIR-IAGOWNOFSA-N 1 3 336.432 0.675 20 0 ECADHO NC(=O)NC(=O)CCNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000592431539 439227170 /nfs/dbraw/zinc/22/71/70/439227170.db2.gz BVPIQIRZEZSZFD-HNNXBMFYSA-N 1 3 334.420 0.318 20 0 ECADHO NC(=O)NC(=O)CCNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000592431539 439227175 /nfs/dbraw/zinc/22/71/75/439227175.db2.gz BVPIQIRZEZSZFD-HNNXBMFYSA-N 1 3 334.420 0.318 20 0 ECADHO N[C@@H]1Cc2ccccc2N(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000567925400 439197694 /nfs/dbraw/zinc/19/76/94/439197694.db2.gz KUDNIRUHROQTFT-ZIAGYGMSSA-N 1 3 326.404 0.560 20 0 ECADHO COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1 ZINC000597942240 439202898 /nfs/dbraw/zinc/20/28/98/439202898.db2.gz IWCUDZRTIJPEGX-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1 ZINC000597942240 439202903 /nfs/dbraw/zinc/20/29/03/439202903.db2.gz IWCUDZRTIJPEGX-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC1 ZINC000581385256 439207769 /nfs/dbraw/zinc/20/77/69/439207769.db2.gz UYGQXNXJRPKBKR-ZBFHGGJFSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568730876 439272489 /nfs/dbraw/zinc/27/24/89/439272489.db2.gz QYNHSZKIQVEXLS-IIAWOOMASA-N 1 3 336.480 0.866 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000582290957 439314637 /nfs/dbraw/zinc/31/46/37/439314637.db2.gz ZWPIRXSBHGPLSS-JKSUJKDBSA-N 1 3 349.483 0.958 20 0 ECADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000582290957 439314640 /nfs/dbraw/zinc/31/46/40/439314640.db2.gz ZWPIRXSBHGPLSS-JKSUJKDBSA-N 1 3 349.483 0.958 20 0 ECADHO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000582300432 439315873 /nfs/dbraw/zinc/31/58/73/439315873.db2.gz FSSPUSDJIPPSRA-CQSZACIVSA-N 1 3 343.497 0.292 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000582063981 439285830 /nfs/dbraw/zinc/28/58/30/439285830.db2.gz OHMFSFBWRDZJRX-INIZCTEOSA-N 1 3 342.484 0.045 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000582112244 439292253 /nfs/dbraw/zinc/29/22/53/439292253.db2.gz IHTBCZQAOBTOQK-UHFFFAOYSA-N 1 3 330.432 0.164 20 0 ECADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569003968 439298602 /nfs/dbraw/zinc/29/86/02/439298602.db2.gz WHZONKZXYMBFLW-MCIONIFRSA-N 1 3 337.468 0.060 20 0 ECADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569003968 439298607 /nfs/dbraw/zinc/29/86/07/439298607.db2.gz WHZONKZXYMBFLW-MCIONIFRSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(CCN(C)C)CC2)C[C@H](C)O1 ZINC000569095879 439304312 /nfs/dbraw/zinc/30/43/12/439304312.db2.gz MTOQDHLOMUHMBW-SOLBZPMBSA-N 1 3 342.528 0.072 20 0 ECADHO O=c1onc(-c2ccccc2)n1C[C@@H](O)CNCCC[NH+]1CCCC1 ZINC000582228570 439306026 /nfs/dbraw/zinc/30/60/26/439306026.db2.gz DJADNSKQNDPDPR-INIZCTEOSA-N 1 3 346.431 0.940 20 0 ECADHO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]CCCN1CCCC1 ZINC000582228570 439306028 /nfs/dbraw/zinc/30/60/28/439306028.db2.gz DJADNSKQNDPDPR-INIZCTEOSA-N 1 3 346.431 0.940 20 0 ECADHO O=C1NCC[C@@]12CCCN2CCCC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000569500432 439340839 /nfs/dbraw/zinc/34/08/39/439340839.db2.gz JHQFEFUTCHQTCP-ROUUACIJSA-N 1 3 334.464 0.476 20 0 ECADHO O=C1NCC[C@@]12CCCN2CCCC[N@H+]1CCC[C@@]12CCNC2=O ZINC000569500432 439340841 /nfs/dbraw/zinc/34/08/41/439340841.db2.gz JHQFEFUTCHQTCP-ROUUACIJSA-N 1 3 334.464 0.476 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000582902423 439395437 /nfs/dbraw/zinc/39/54/37/439395437.db2.gz LMRBLKKCFWMXIK-DLBZAZTESA-N 1 3 335.448 0.663 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000570035833 439386254 /nfs/dbraw/zinc/38/62/54/439386254.db2.gz ZZKKWQWGKPXHMB-CABCVRRESA-N 1 3 338.496 0.905 20 0 ECADHO [NH3+]C1(CNC(=O)C[C@@H]2COCCN2)CCN(Cc2ccccc2)CC1 ZINC000570681625 439442301 /nfs/dbraw/zinc/44/23/01/439442301.db2.gz JSVAOWUMKXYDKJ-QGZVFWFLSA-N 1 3 346.475 0.475 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)N1CCCC1 ZINC000571027240 439468771 /nfs/dbraw/zinc/46/87/71/439468771.db2.gz BGLDERAGYKHJLU-CYBMUJFWSA-N 1 3 330.432 0.871 20 0 ECADHO CN(C)C/C=C\C(=O)N1CCC[C@@H](CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000492166863 439504217 /nfs/dbraw/zinc/50/42/17/439504217.db2.gz YWBJZZIXISBMNZ-LPXOIKNSSA-N 1 3 336.480 0.577 20 0 ECADHO CN(C)C/C=C/C(=O)NC[C@@H]1CCCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000492166863 439504221 /nfs/dbraw/zinc/50/42/21/439504221.db2.gz YWBJZZIXISBMNZ-LPXOIKNSSA-N 1 3 336.480 0.577 20 0 ECADHO CC[NH+](CC)CCSCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000571715529 439525235 /nfs/dbraw/zinc/52/52/35/439525235.db2.gz OOPWNNMNRAKOFZ-MRXNPFEDSA-N 1 3 329.510 0.634 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000583984837 439535188 /nfs/dbraw/zinc/53/51/88/439535188.db2.gz ZLLAHAZDSFSGIG-PBHICJAKSA-N 1 3 344.459 0.586 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000583984837 439535191 /nfs/dbraw/zinc/53/51/91/439535191.db2.gz ZLLAHAZDSFSGIG-PBHICJAKSA-N 1 3 344.459 0.586 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000584114009 439551526 /nfs/dbraw/zinc/55/15/26/439551526.db2.gz WJJLVROMWANOSF-SQWLQELKSA-N 1 3 334.464 0.518 20 0 ECADHO CN(C)C/C=C/C(=O)N[C@H]1CC[C@H](NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000492867497 439582088 /nfs/dbraw/zinc/58/20/88/439582088.db2.gz XLUGQURAADLYNO-YGOWVMGUSA-N 1 3 336.480 0.766 20 0 ECADHO CN(C)C/C=C\C(=O)N[C@H]1CC[C@H](NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000492867497 439582092 /nfs/dbraw/zinc/58/20/92/439582092.db2.gz XLUGQURAADLYNO-YGOWVMGUSA-N 1 3 336.480 0.766 20 0 ECADHO [NH3+]CC1(CC(=O)NCCCN2CCN(c3ccncc3)CC2)CC1 ZINC000584527311 439596825 /nfs/dbraw/zinc/59/68/25/439596825.db2.gz FAHBQBPHDVCOBD-UHFFFAOYSA-N 1 3 331.464 0.839 20 0 ECADHO N[C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000584666785 439606208 /nfs/dbraw/zinc/60/62/08/439606208.db2.gz USTPNDBCWPBTOT-HOTGVXAUSA-N 1 3 349.479 0.347 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594795884 439614753 /nfs/dbraw/zinc/61/47/53/439614753.db2.gz DLIJUWOUZXKKIG-HOTGVXAUSA-N 1 3 334.464 0.187 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594795884 439614754 /nfs/dbraw/zinc/61/47/54/439614754.db2.gz DLIJUWOUZXKKIG-HOTGVXAUSA-N 1 3 334.464 0.187 20 0 ECADHO N[C@H]1C[C@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CCN2C1=O ZINC000594873687 439635248 /nfs/dbraw/zinc/63/52/48/439635248.db2.gz KYHRELXJUNJNJK-HOTGVXAUSA-N 1 3 342.443 0.078 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000573831144 439670728 /nfs/dbraw/zinc/67/07/28/439670728.db2.gz SURLSLIJGKYHIG-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000574191289 439689026 /nfs/dbraw/zinc/68/90/26/439689026.db2.gz BMDZMMXYUDRJON-VNQPRFMTSA-N 1 3 334.468 0.588 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000574191289 439689029 /nfs/dbraw/zinc/68/90/29/439689029.db2.gz BMDZMMXYUDRJON-VNQPRFMTSA-N 1 3 334.468 0.588 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612978851 439748252 /nfs/dbraw/zinc/74/82/52/439748252.db2.gz YHMBTDZTBGHXDY-GJZGRUSLSA-N 1 3 349.479 0.077 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612914249 439745674 /nfs/dbraw/zinc/74/56/74/439745674.db2.gz CSUOQQXTWNDCTE-KBPBESRZSA-N 1 3 349.483 0.446 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612914251 439745676 /nfs/dbraw/zinc/74/56/76/439745676.db2.gz CSUOQQXTWNDCTE-UONOGXRCSA-N 1 3 349.483 0.446 20 0 ECADHO C[C@H]([NH3+])CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612923110 439745753 /nfs/dbraw/zinc/74/57/53/439745753.db2.gz NGJKQAUNUBIEFZ-QWHCGFSZSA-N 1 3 335.456 0.056 20 0 ECADHO CC[NH2+]CCNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612915885 439745944 /nfs/dbraw/zinc/74/59/44/439745944.db2.gz UFPOZXMVZMXBTC-CQSZACIVSA-N 1 3 349.483 0.318 20 0 ECADHO COC(=O)Cc1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000614618392 439782220 /nfs/dbraw/zinc/78/22/20/439782220.db2.gz XRANYFIFVIVRTQ-UHFFFAOYSA-N 1 3 335.448 0.968 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000615225103 439796317 /nfs/dbraw/zinc/79/63/17/439796317.db2.gz AXPDDBQAHNOLLH-XHSDSOJGSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000615225103 439796318 /nfs/dbraw/zinc/79/63/18/439796318.db2.gz AXPDDBQAHNOLLH-XHSDSOJGSA-N 1 3 338.496 0.632 20 0 ECADHO O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000646575461 439828244 /nfs/dbraw/zinc/82/82/44/439828244.db2.gz IIZIOLOZYHJVRW-SFHVURJKSA-N 1 3 345.491 0.705 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758731 439879329 /nfs/dbraw/zinc/87/93/29/439879329.db2.gz SEPXETBRRJCRHZ-OCCSQVGLSA-N 1 3 336.402 0.671 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662685315 439846979 /nfs/dbraw/zinc/84/69/79/439846979.db2.gz BGIFUMMKTFCWCS-HZPDHXFCSA-N 1 3 346.431 0.544 20 0 ECADHO O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[C@H](N2CCCC2)C1 ZINC000662709873 439854928 /nfs/dbraw/zinc/85/49/28/439854928.db2.gz UGZVNESHXLMUJQ-GJZGRUSLSA-N 1 3 332.452 0.903 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626807090 439890800 /nfs/dbraw/zinc/89/08/00/439890800.db2.gz ALXCETBNCCPIRV-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626807090 439890805 /nfs/dbraw/zinc/89/08/05/439890805.db2.gz ALXCETBNCCPIRV-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@]12CCC(=O)N1CCS2 ZINC000617504382 439899252 /nfs/dbraw/zinc/89/92/52/439899252.db2.gz SWOFQGFYOHMJPI-BBRMVZONSA-N 1 3 342.509 0.440 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@]12CCC(=O)N1CCS2 ZINC000617504382 439899255 /nfs/dbraw/zinc/89/92/55/439899255.db2.gz SWOFQGFYOHMJPI-BBRMVZONSA-N 1 3 342.509 0.440 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1ccsc1 ZINC000617506883 439901217 /nfs/dbraw/zinc/90/12/17/439901217.db2.gz BEFFAGJMEKAXNY-ZDUSSCGKSA-N 1 3 340.493 0.866 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1ccsc1 ZINC000617506883 439901223 /nfs/dbraw/zinc/90/12/23/439901223.db2.gz BEFFAGJMEKAXNY-ZDUSSCGKSA-N 1 3 340.493 0.866 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC000617507981 439904456 /nfs/dbraw/zinc/90/44/56/439904456.db2.gz QRSMKFCMUMPLKS-QWHCGFSZSA-N 1 3 329.489 0.458 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC000617507981 439904466 /nfs/dbraw/zinc/90/44/66/439904466.db2.gz QRSMKFCMUMPLKS-QWHCGFSZSA-N 1 3 329.489 0.458 20 0 ECADHO O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858873 439915193 /nfs/dbraw/zinc/91/51/93/439915193.db2.gz JBGXZTUZNDLHDT-SJORKVTESA-N 1 3 349.500 0.965 20 0 ECADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000641803609 439918939 /nfs/dbraw/zinc/91/89/39/439918939.db2.gz UHZPOCPIIPGCEP-KGLIPLIRSA-N 1 3 332.452 0.231 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000652687795 439919174 /nfs/dbraw/zinc/91/91/74/439919174.db2.gz MSCDQUREFJJKMH-KRWDZBQOSA-N 1 3 344.459 0.623 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662974505 439974503 /nfs/dbraw/zinc/97/45/03/439974503.db2.gz KNSQPFFSPFBKPA-KRWDZBQOSA-N 1 3 346.475 0.569 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCCC[C@H]2CC)CC[C@H]1[NH3+] ZINC000642431158 439981026 /nfs/dbraw/zinc/98/10/26/439981026.db2.gz HLFWYYULETXOMI-BZUAXINKSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000642471647 439984027 /nfs/dbraw/zinc/98/40/27/439984027.db2.gz VJXFGZGQJLHHHN-GOEBONIOSA-N 1 3 346.475 0.867 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)N1CCN(C)CC1 ZINC000626930003 439961462 /nfs/dbraw/zinc/96/14/62/439961462.db2.gz UMVOCLPZXRWSIO-OAHLLOKOSA-N 1 3 341.500 0.066 20 0 ECADHO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017150 439992479 /nfs/dbraw/zinc/99/24/79/439992479.db2.gz IFAADMHFRKSVBI-NHIYQJMISA-N 1 3 344.463 0.276 20 0 ECADHO C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663019556 439993073 /nfs/dbraw/zinc/99/30/73/439993073.db2.gz TYCJOBYZONRDPL-ZIAGYGMSSA-N 1 3 334.468 0.653 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000631944538 440002765 /nfs/dbraw/zinc/00/27/65/440002765.db2.gz AARSRGGRGKTJHF-LSDHHAIUSA-N 1 3 333.498 0.486 20 0 ECADHO CN(C)CCn1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000631962339 440011433 /nfs/dbraw/zinc/01/14/33/440011433.db2.gz MJRVEEJMZZJGFO-MRXNPFEDSA-N 1 3 337.468 0.411 20 0 ECADHO CN(C)CCn1cc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cn1 ZINC000631962339 440011441 /nfs/dbraw/zinc/01/14/41/440011441.db2.gz MJRVEEJMZZJGFO-MRXNPFEDSA-N 1 3 337.468 0.411 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000627165452 440025986 /nfs/dbraw/zinc/02/59/86/440025986.db2.gz WJVCBXNRNNSSFQ-NXOAAHMSSA-N 1 3 337.512 0.794 20 0 ECADHO [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000663016607 439987970 /nfs/dbraw/zinc/98/79/70/439987970.db2.gz HACKXQVIZPBWSK-MCIONIFRSA-N 1 3 332.452 0.263 20 0 ECADHO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000642911532 440059621 /nfs/dbraw/zinc/05/96/21/440059621.db2.gz CTYLGCXOVKQTQS-UONOGXRCSA-N 1 3 331.420 0.116 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000663375182 440064029 /nfs/dbraw/zinc/06/40/29/440064029.db2.gz DLVAXESHWVBSHQ-UHFFFAOYSA-N 1 3 346.435 0.225 20 0 ECADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110802 440068037 /nfs/dbraw/zinc/06/80/37/440068037.db2.gz VANBERJGVACSCJ-KXBFYZLASA-N 1 3 345.443 0.818 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000642969712 440072792 /nfs/dbraw/zinc/07/27/92/440072792.db2.gz IDQSSIKHZPIJOK-MRXNPFEDSA-N 1 3 345.447 0.364 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642979922 440073434 /nfs/dbraw/zinc/07/34/34/440073434.db2.gz PVDWZMYYFDLBRE-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC[NH2+]1 ZINC000642984318 440076232 /nfs/dbraw/zinc/07/62/32/440076232.db2.gz ICVBLOOPTLJDAX-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653156373 440083442 /nfs/dbraw/zinc/08/34/42/440083442.db2.gz ZJTGAZJTOLMHHC-QOKNQOGYSA-N 1 3 344.459 0.959 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627198428 440043273 /nfs/dbraw/zinc/04/32/73/440043273.db2.gz VFKPEFZQINSCDC-HUUCEWRRSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)C[NH2+]1 ZINC000627205063 440043307 /nfs/dbraw/zinc/04/33/07/440043307.db2.gz LNCKCPQDYJNMLX-HUUCEWRRSA-N 1 3 325.501 0.842 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000642898349 440051895 /nfs/dbraw/zinc/05/18/95/440051895.db2.gz DCBFDXWJCLHZFL-HOTGVXAUSA-N 1 3 330.432 0.197 20 0 ECADHO C[N@@H+]1CC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)[C@H]1c1ccccc1 ZINC000636984905 440120686 /nfs/dbraw/zinc/12/06/86/440120686.db2.gz MLPMXCRMBVVJRB-IXDOHACOSA-N 1 3 332.448 0.798 20 0 ECADHO C[N@H+]1CC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)[C@H]1c1ccccc1 ZINC000636984905 440120690 /nfs/dbraw/zinc/12/06/90/440120690.db2.gz MLPMXCRMBVVJRB-IXDOHACOSA-N 1 3 332.448 0.798 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N1CCC(C)CC1 ZINC000627331694 440128231 /nfs/dbraw/zinc/12/82/31/440128231.db2.gz FSGJGBIHIKSNNT-CABCVRRESA-N 1 3 336.480 0.624 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000627338874 440132335 /nfs/dbraw/zinc/13/23/35/440132335.db2.gz SIKOMHHTEXTXBA-UHFFFAOYSA-N 1 3 346.475 0.883 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000653361508 440132901 /nfs/dbraw/zinc/13/29/01/440132901.db2.gz QSUKOFLVDQGRBE-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000653361508 440132908 /nfs/dbraw/zinc/13/29/08/440132908.db2.gz QSUKOFLVDQGRBE-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO CCO[C@@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1C[NH3+] ZINC000653247944 440101811 /nfs/dbraw/zinc/10/18/11/440101811.db2.gz YWUCQXVQMUHLCE-MNLSVMLLSA-N 1 3 325.453 0.341 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663941081 440200565 /nfs/dbraw/zinc/20/05/65/440200565.db2.gz JFDIXBUJLZLSMU-AWEZNQCLSA-N 1 3 329.489 0.378 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663941081 440200572 /nfs/dbraw/zinc/20/05/72/440200572.db2.gz JFDIXBUJLZLSMU-AWEZNQCLSA-N 1 3 329.489 0.378 20 0 ECADHO CC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000643478836 440179219 /nfs/dbraw/zinc/17/92/19/440179219.db2.gz LQAVRKCZFTWKPQ-HOCLYGCPSA-N 1 3 345.447 0.316 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643503483 440189830 /nfs/dbraw/zinc/18/98/30/440189830.db2.gz FDQKICKNGUSPRH-LSDHHAIUSA-N 1 3 336.480 0.659 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643504819 440190026 /nfs/dbraw/zinc/19/00/26/440190026.db2.gz UMKKFHZWXLAIMZ-IKGGRYGDSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643500553 440191118 /nfs/dbraw/zinc/19/11/18/440191118.db2.gz ASQSHGZKIWXQSI-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000627425784 440194449 /nfs/dbraw/zinc/19/44/49/440194449.db2.gz ZQNDVBBXKYDMHZ-ILXRZTDVSA-N 1 3 334.464 0.520 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@H]13)C2 ZINC000627425084 440195750 /nfs/dbraw/zinc/19/57/50/440195750.db2.gz DHOKKNUVNOZHPJ-RGCFKVTRSA-N 1 3 348.491 0.578 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643524270 440198338 /nfs/dbraw/zinc/19/83/38/440198338.db2.gz BFZCRMUADDCRTL-GOEBONIOSA-N 1 3 348.447 0.380 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1)[C@@H]1CCN(CC)C1 ZINC000658829257 440146574 /nfs/dbraw/zinc/14/65/74/440146574.db2.gz JANHVNUCOLSXBK-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(CN(C)C)c2)C[NH2+]1 ZINC000627377426 440164294 /nfs/dbraw/zinc/16/42/94/440164294.db2.gz INFJTPOJWHFHNK-BBRMVZONSA-N 1 3 332.448 0.621 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000627460666 440219378 /nfs/dbraw/zinc/21/93/78/440219378.db2.gz QTQOPUAEXLOCJL-LSDHHAIUSA-N 1 3 336.436 0.427 20 0 ECADHO C[C@@H](CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1)[NH+](C)C ZINC000664051322 440222033 /nfs/dbraw/zinc/22/20/33/440222033.db2.gz MQLRRUDJHXFBFT-AWEZNQCLSA-N 1 3 341.500 0.569 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664044298 440222266 /nfs/dbraw/zinc/22/22/66/440222266.db2.gz QMFORPISTVYIDU-JYJNAYRXSA-N 1 3 326.485 0.957 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664044298 440222272 /nfs/dbraw/zinc/22/22/72/440222272.db2.gz QMFORPISTVYIDU-JYJNAYRXSA-N 1 3 326.485 0.957 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643531958 440202010 /nfs/dbraw/zinc/20/20/10/440202010.db2.gz HVQZZPUMDZJZOX-CABCVRRESA-N 1 3 342.484 0.141 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)o1 ZINC000627498158 440241910 /nfs/dbraw/zinc/24/19/10/440241910.db2.gz LBFRPPHNVCQBCW-DZGCQCFKSA-N 1 3 336.436 0.345 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000664189921 440255679 /nfs/dbraw/zinc/25/56/79/440255679.db2.gz BLUSOYSNFDGKCG-RRFJBIMHSA-N 1 3 341.500 0.602 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000664189921 440255681 /nfs/dbraw/zinc/25/56/81/440255681.db2.gz BLUSOYSNFDGKCG-RRFJBIMHSA-N 1 3 341.500 0.602 20 0 ECADHO C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C1=CC[N@H+](C)CC1 ZINC000664628741 440347183 /nfs/dbraw/zinc/34/71/83/440347183.db2.gz IPRCARLEWDKGPL-AWEZNQCLSA-N 1 3 339.484 0.298 20 0 ECADHO C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C1=CC[N@@H+](C)CC1 ZINC000664628741 440347185 /nfs/dbraw/zinc/34/71/85/440347185.db2.gz IPRCARLEWDKGPL-AWEZNQCLSA-N 1 3 339.484 0.298 20 0 ECADHO CN1CCC(O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659580974 440368466 /nfs/dbraw/zinc/36/84/66/440368466.db2.gz XDROKMXEODQHKV-IAGOWNOFSA-N 1 3 346.475 0.888 20 0 ECADHO CCN(CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659579519 440369018 /nfs/dbraw/zinc/36/90/18/440369018.db2.gz REUOEADJBUEQRZ-IAGOWNOFSA-N 1 3 334.464 0.746 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NCC12CC(C1)C[NH2+]2 ZINC000659609980 440372313 /nfs/dbraw/zinc/37/23/13/440372313.db2.gz FHXRZDHVQRWWEL-HFCFLWKCSA-N 1 3 344.459 0.804 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659451348 440329270 /nfs/dbraw/zinc/32/92/70/440329270.db2.gz QKQFZZZXZRHIIL-GFCCVEGCSA-N 1 3 336.440 0.561 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659451348 440329275 /nfs/dbraw/zinc/32/92/75/440329275.db2.gz QKQFZZZXZRHIIL-GFCCVEGCSA-N 1 3 336.440 0.561 20 0 ECADHO Cc1ccccc1CN1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638062325 440418726 /nfs/dbraw/zinc/41/87/26/440418726.db2.gz FERXTWUUZBTZLH-UHFFFAOYSA-N 1 3 330.476 0.981 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000659688586 440423325 /nfs/dbraw/zinc/42/33/25/440423325.db2.gz BTRIUAATOQXPPO-LSDHHAIUSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659687964 440424285 /nfs/dbraw/zinc/42/42/85/440424285.db2.gz QBHGHWFDJKNNJB-SYJJWHGVSA-N 1 3 336.480 0.420 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659687964 440424288 /nfs/dbraw/zinc/42/42/88/440424288.db2.gz QBHGHWFDJKNNJB-SYJJWHGVSA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630248 440380567 /nfs/dbraw/zinc/38/05/67/440380567.db2.gz MNWDMWDZRHXDDG-YPMHNXCESA-N 1 3 334.424 0.409 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000659629200 440382062 /nfs/dbraw/zinc/38/20/62/440382062.db2.gz QQNOTIVIRKTVTC-QWHCGFSZSA-N 1 3 348.451 0.562 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000659628451 440383085 /nfs/dbraw/zinc/38/30/85/440383085.db2.gz DXGATEBPUPUJLH-VXGBXAGGSA-N 1 3 334.424 0.172 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000633000800 440405127 /nfs/dbraw/zinc/40/51/27/440405127.db2.gz PTCIKRNPISXMOT-CYBMUJFWSA-N 1 3 348.451 0.299 20 0 ECADHO CN1CCC(n2cc(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)cn2)CC1 ZINC000633009195 440406792 /nfs/dbraw/zinc/40/67/92/440406792.db2.gz QNAJIPZLLGRFJM-ZDUSSCGKSA-N 1 3 348.451 0.347 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(CC(N)=O)C3)CC2)CC1 ZINC000655045219 440464069 /nfs/dbraw/zinc/46/40/69/440464069.db2.gz QHBMSOXIVBPOAA-UHFFFAOYSA-N 1 3 336.480 0.517 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000659735043 440472261 /nfs/dbraw/zinc/47/22/61/440472261.db2.gz CKRUUYMHESWGAW-BFYDXBDKSA-N 1 3 348.491 0.720 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000659739515 440476382 /nfs/dbraw/zinc/47/63/82/440476382.db2.gz WPPPOGVKRGXGHF-INIZCTEOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659738049 440476420 /nfs/dbraw/zinc/47/64/20/440476420.db2.gz YJWNKUPOUINVKO-RDTXWAMCSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)c2ccccc2O1 ZINC000649347298 440478065 /nfs/dbraw/zinc/47/80/65/440478065.db2.gz PBOJVHMCRMUOGR-CYBMUJFWSA-N 1 3 344.419 0.596 20 0 ECADHO [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000633075867 440430554 /nfs/dbraw/zinc/43/05/54/440430554.db2.gz LPJFSMYFBMRBSU-HNNXBMFYSA-N 1 3 345.447 0.460 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659715188 440449326 /nfs/dbraw/zinc/44/93/26/440449326.db2.gz OWBPPCFDIBLFEQ-LSDHHAIUSA-N 1 3 336.480 0.625 20 0 ECADHO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659715789 440451752 /nfs/dbraw/zinc/45/17/52/440451752.db2.gz QLSBUKNQCRACAW-YMAMQOFZSA-N 1 3 336.480 0.896 20 0 ECADHO O=C(CN1CC[NH2+]CC1)NCc1ccccc1CN1CCC(O)CC1 ZINC000638128740 440453560 /nfs/dbraw/zinc/45/35/60/440453560.db2.gz OJKSNEQQYIGCQT-UHFFFAOYSA-N 1 3 346.475 0.165 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659719950 440456126 /nfs/dbraw/zinc/45/61/26/440456126.db2.gz ZDQYWPFXDRFIAA-INIZCTEOSA-N 1 3 338.496 0.714 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000638249787 440488304 /nfs/dbraw/zinc/48/83/04/440488304.db2.gz VIPFCARKQULCKF-ULQDDVLXSA-N 1 3 337.512 0.925 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665553363 440491273 /nfs/dbraw/zinc/49/12/73/440491273.db2.gz SDLCNAONVBPCIA-AWEZNQCLSA-N 1 3 341.500 0.521 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665553363 440491278 /nfs/dbraw/zinc/49/12/78/440491278.db2.gz SDLCNAONVBPCIA-AWEZNQCLSA-N 1 3 341.500 0.521 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cn1 ZINC000638340748 440518615 /nfs/dbraw/zinc/51/86/15/440518615.db2.gz SMDRYOZSBUPFLT-SJORKVTESA-N 1 3 349.479 0.803 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N3CC4CC3(C[NH3+])C4)ccc2[nH]c1=O ZINC000638417004 440532858 /nfs/dbraw/zinc/53/28/58/440532858.db2.gz CVNFXGGJMBLGDE-UHFFFAOYSA-N 1 3 343.431 0.867 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(CCO)C1CCOCC1 ZINC000665761548 440525699 /nfs/dbraw/zinc/52/56/99/440525699.db2.gz HLQANVIHFPMEBP-HNNXBMFYSA-N 1 3 344.500 0.441 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(CCO)C1CCOCC1 ZINC000665761548 440525706 /nfs/dbraw/zinc/52/57/06/440525706.db2.gz HLQANVIHFPMEBP-HNNXBMFYSA-N 1 3 344.500 0.441 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCNC(=O)N(C)C ZINC000665760981 440527230 /nfs/dbraw/zinc/52/72/30/440527230.db2.gz UDFRUSASWCUUKV-AWEZNQCLSA-N 1 3 344.504 0.171 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCNC(=O)N(C)C ZINC000665760981 440527232 /nfs/dbraw/zinc/52/72/32/440527232.db2.gz UDFRUSASWCUUKV-AWEZNQCLSA-N 1 3 344.504 0.171 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000638571319 440569225 /nfs/dbraw/zinc/56/92/25/440569225.db2.gz JCDBJHFLJQAWOP-LVQVYYBASA-N 1 3 336.480 0.576 20 0 ECADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638416272 440534129 /nfs/dbraw/zinc/53/41/29/440534129.db2.gz PMDHRZNYAPXSNB-GOSISDBHSA-N 1 3 330.476 0.667 20 0 ECADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000660152604 440607773 /nfs/dbraw/zinc/60/77/73/440607773.db2.gz AVWONERQLAOJOH-FGTMMUONSA-N 1 3 326.529 0.645 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000660152604 440607779 /nfs/dbraw/zinc/60/77/79/440607779.db2.gz AVWONERQLAOJOH-FGTMMUONSA-N 1 3 326.529 0.645 20 0 ECADHO CO[C@]1(C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CCOC1 ZINC000638874039 440636162 /nfs/dbraw/zinc/63/61/62/440636162.db2.gz XCOUBUKSPFYYTI-SFHVURJKSA-N 1 3 335.448 0.873 20 0 ECADHO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000650724788 440675032 /nfs/dbraw/zinc/67/50/32/440675032.db2.gz MMOAVCZUMIUDLZ-UKRRQHHQSA-N 1 3 332.448 0.550 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655917840 440643838 /nfs/dbraw/zinc/64/38/38/440643838.db2.gz XWILYOFRYUXQSL-GHMZBOCLSA-N 1 3 326.363 0.628 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656027843 440697534 /nfs/dbraw/zinc/69/75/34/440697534.db2.gz GBAPPEIBVIRKRH-NUEKZKHPSA-N 1 3 336.480 0.705 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000656067251 440704716 /nfs/dbraw/zinc/70/47/16/440704716.db2.gz QZIIUOAJKKRLPT-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645177716 440758922 /nfs/dbraw/zinc/75/89/22/440758922.db2.gz NXNIZHKJTNJURW-UHFFFAOYSA-N 1 3 342.484 0.461 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645177716 440758928 /nfs/dbraw/zinc/75/89/28/440758928.db2.gz NXNIZHKJTNJURW-UHFFFAOYSA-N 1 3 342.484 0.461 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650949406 440713625 /nfs/dbraw/zinc/71/36/25/440713625.db2.gz IKGDDSSFNMKWBV-UHFFFAOYSA-N 1 3 327.473 0.134 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650949406 440713630 /nfs/dbraw/zinc/71/36/30/440713630.db2.gz IKGDDSSFNMKWBV-UHFFFAOYSA-N 1 3 327.473 0.134 20 0 ECADHO CN(C)C(=O)[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000660801440 440732131 /nfs/dbraw/zinc/73/21/31/440732131.db2.gz PWLVYRDQEFGAQJ-AXHPFZFWSA-N 1 3 336.480 0.363 20 0 ECADHO CN(C)C(=O)[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000660801440 440732136 /nfs/dbraw/zinc/73/21/36/440732136.db2.gz PWLVYRDQEFGAQJ-AXHPFZFWSA-N 1 3 336.480 0.363 20 0 ECADHO CN(C)C(=O)[C@@H]1CC[N@@H+](C/C=C/CN2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000660801440 440732141 /nfs/dbraw/zinc/73/21/41/440732141.db2.gz PWLVYRDQEFGAQJ-AXHPFZFWSA-N 1 3 336.480 0.363 20 0 ECADHO CN(C)C(=O)[C@@H]1CC[N@H+](C/C=C/CN2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000660801440 440732148 /nfs/dbraw/zinc/73/21/48/440732148.db2.gz PWLVYRDQEFGAQJ-AXHPFZFWSA-N 1 3 336.480 0.363 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667055266 440734262 /nfs/dbraw/zinc/73/42/62/440734262.db2.gz CQQUCHARSHSMBK-UHFFFAOYSA-N 1 3 335.452 0.036 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@@H](COC)C2CCOCC2)CC1 ZINC000661158360 440803850 /nfs/dbraw/zinc/80/38/50/440803850.db2.gz APULZNOOOGFOJH-INIZCTEOSA-N 1 3 327.469 0.618 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656310752 440761397 /nfs/dbraw/zinc/76/13/97/440761397.db2.gz FBCDQUIRHOQYNR-IXDOHACOSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656310752 440761400 /nfs/dbraw/zinc/76/14/00/440761400.db2.gz FBCDQUIRHOQYNR-IXDOHACOSA-N 1 3 348.491 0.720 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000629793452 440762727 /nfs/dbraw/zinc/76/27/27/440762727.db2.gz GXBAYPAALLJWLV-UHFFFAOYSA-N 1 3 346.475 0.917 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000629795077 440762904 /nfs/dbraw/zinc/76/29/04/440762904.db2.gz YRBBTDDPEFMFJS-CVEARBPZSA-N 1 3 338.496 0.907 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000629795077 440762910 /nfs/dbraw/zinc/76/29/10/440762910.db2.gz YRBBTDDPEFMFJS-CVEARBPZSA-N 1 3 338.496 0.907 20 0 ECADHO CCS(=O)(=O)NCCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639701806 440764434 /nfs/dbraw/zinc/76/44/34/440764434.db2.gz BXOGSKBETMTBGP-UHFFFAOYSA-N 1 3 326.466 0.923 20 0 ECADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645259377 440770114 /nfs/dbraw/zinc/77/01/14/440770114.db2.gz AFOJPOXFOAZRFF-GJZGRUSLSA-N 1 3 341.500 0.724 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000645263637 440773595 /nfs/dbraw/zinc/77/35/95/440773595.db2.gz RXOGWOCEXCNSFP-KGLIPLIRSA-N 1 3 325.457 0.090 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000645263637 440773598 /nfs/dbraw/zinc/77/35/98/440773598.db2.gz RXOGWOCEXCNSFP-KGLIPLIRSA-N 1 3 325.457 0.090 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656355724 440786693 /nfs/dbraw/zinc/78/66/93/440786693.db2.gz NKWWEFJVXQLXDP-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656355724 440786700 /nfs/dbraw/zinc/78/67/00/440786700.db2.gz NKWWEFJVXQLXDP-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635479605 440865778 /nfs/dbraw/zinc/86/57/78/440865778.db2.gz QAMIJLJEVQSTMK-HZPDHXFCSA-N 1 3 325.453 0.467 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000635479606 440866615 /nfs/dbraw/zinc/86/66/15/440866615.db2.gz QAMIJLJEVQSTMK-JKSUJKDBSA-N 1 3 325.453 0.467 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000645471475 440815879 /nfs/dbraw/zinc/81/58/79/440815879.db2.gz SIVGGSUIQRONDN-WLYUNCDWSA-N 1 3 339.484 0.621 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@]1(O)CCCOC1 ZINC000651438984 440828695 /nfs/dbraw/zinc/82/86/95/440828695.db2.gz CWVCCCZDTKNNQB-MRXNPFEDSA-N 1 3 330.473 0.053 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CC2([NH3+])CCC2)c1 ZINC000645896730 440944152 /nfs/dbraw/zinc/94/41/52/440944152.db2.gz TWMQHTZJHPNDLK-UHFFFAOYSA-N 1 3 332.448 0.866 20 0 ECADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000651920007 440971898 /nfs/dbraw/zinc/97/18/98/440971898.db2.gz VDZYQWSNRAJKQL-HNNXBMFYSA-N 1 3 341.477 0.751 20 0 ECADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](CN)c3ccccc3)CC2)C1 ZINC000646002936 440969124 /nfs/dbraw/zinc/96/91/24/440969124.db2.gz KKHHHTAETATTEF-QZTJIDSGSA-N 1 3 330.476 0.967 20 0 ECADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](CN)c3ccccc3)CC2)C1 ZINC000646002936 440969130 /nfs/dbraw/zinc/96/91/30/440969130.db2.gz KKHHHTAETATTEF-QZTJIDSGSA-N 1 3 330.476 0.967 20 0 ECADHO CN(C)CCn1cc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cn1 ZINC000645803320 440922902 /nfs/dbraw/zinc/92/29/02/440922902.db2.gz QEHRHFLGQNZNHK-OAHLLOKOSA-N 1 3 331.424 0.818 20 0 ECADHO CC(C)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NCCN(C)C ZINC000635761681 440978411 /nfs/dbraw/zinc/97/84/11/440978411.db2.gz VTSVEBGCGQSKSQ-GJZGRUSLSA-N 1 3 326.485 0.537 20 0 ECADHO CC(C)C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NCCN(C)C ZINC000635761681 440978417 /nfs/dbraw/zinc/97/84/17/440978417.db2.gz VTSVEBGCGQSKSQ-GJZGRUSLSA-N 1 3 326.485 0.537 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317450 441010691 /nfs/dbraw/zinc/01/06/91/441010691.db2.gz PPRFZGVFQARITD-SQNIBIBYSA-N 1 3 331.460 0.862 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317450 441010699 /nfs/dbraw/zinc/01/06/99/441010699.db2.gz PPRFZGVFQARITD-SQNIBIBYSA-N 1 3 331.460 0.862 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662317450 441010705 /nfs/dbraw/zinc/01/07/05/441010705.db2.gz PPRFZGVFQARITD-SQNIBIBYSA-N 1 3 331.460 0.862 20 0 ECADHO C[C@@H]1CCCN(CCNS(=O)(=O)c2cnn(C)c2)[C@@H]1CCC[NH3+] ZINC000662311191 441010911 /nfs/dbraw/zinc/01/09/11/441010911.db2.gz AATRFMVTNUQQJP-UKRRQHHQSA-N 1 3 343.497 0.538 20 0 ECADHO O=C(Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1)NC1CCN(C2CC2)CC1 ZINC000641005271 441044787 /nfs/dbraw/zinc/04/47/87/441044787.db2.gz WFRQNKUKRUNRRT-AWEZNQCLSA-N 1 3 346.479 0.563 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NCCC3CC[NH2+]CC3)CC2)C1 ZINC000652313024 441049488 /nfs/dbraw/zinc/04/94/88/441049488.db2.gz HDOQMCPTMJTLQB-KRWDZBQOSA-N 1 3 337.512 0.798 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000635974984 441055796 /nfs/dbraw/zinc/05/57/96/441055796.db2.gz GPGODCNVICXBCN-SFHVURJKSA-N 1 3 341.496 0.916 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000635974984 441055802 /nfs/dbraw/zinc/05/58/02/441055802.db2.gz GPGODCNVICXBCN-SFHVURJKSA-N 1 3 341.496 0.916 20 0 ECADHO CN1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)(N2CCOCC2)CC1 ZINC000636023249 441066879 /nfs/dbraw/zinc/06/68/79/441066879.db2.gz DMXNNARWPWZHQN-INIZCTEOSA-N 1 3 338.496 0.241 20 0 ECADHO CN1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)(N2CCOCC2)CC1 ZINC000636023249 441066886 /nfs/dbraw/zinc/06/68/86/441066886.db2.gz DMXNNARWPWZHQN-INIZCTEOSA-N 1 3 338.496 0.241 20 0 ECADHO CC[N@H+](C)C[C@@H](O)Cn1cc(-c2cccc(NC(=O)CNC)c2)nn1 ZINC000641221984 441079662 /nfs/dbraw/zinc/07/96/62/441079662.db2.gz IXVPANCUJNVYDS-OAHLLOKOSA-N 1 3 346.435 0.416 20 0 ECADHO CC[N@@H+](C)C[C@@H](O)Cn1cc(-c2cccc(NC(=O)CNC)c2)nn1 ZINC000641221984 441079666 /nfs/dbraw/zinc/07/96/66/441079666.db2.gz IXVPANCUJNVYDS-OAHLLOKOSA-N 1 3 346.435 0.416 20 0 ECADHO COC(=O)C[C@@]1([NH2+]CCCN2CCN(C(C)C)CC2)CCOC1 ZINC000337321357 320944591 /nfs/dbraw/zinc/94/45/91/320944591.db2.gz QAIVSBYGFGDJOJ-KRWDZBQOSA-N 1 3 327.469 0.714 20 0 ECADHO C[C@H]1CCC[C@](CNC(=O)C(=O)NC2CCN(C)CC2)([NH+](C)C)C1 ZINC000339636762 320992062 /nfs/dbraw/zinc/99/20/62/320992062.db2.gz OHMKAEGTNIIWTQ-KSSFIOAISA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340208651 321021929 /nfs/dbraw/zinc/02/19/29/321021929.db2.gz DWJKMMJUCNVCMA-HNNXBMFYSA-N 1 3 326.485 0.683 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCN1C ZINC000340254171 321029844 /nfs/dbraw/zinc/02/98/44/321029844.db2.gz SWKNJRRXMURPCP-GJZGRUSLSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000340258513 321030759 /nfs/dbraw/zinc/03/07/59/321030759.db2.gz VQWGTWIGHWQPBO-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000340258513 321030761 /nfs/dbraw/zinc/03/07/61/321030761.db2.gz VQWGTWIGHWQPBO-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1CCN(C2CC2)C1 ZINC000340259633 321031003 /nfs/dbraw/zinc/03/10/03/321031003.db2.gz WLALEOAGLJVQEC-KRWDZBQOSA-N 1 3 337.512 0.891 20 0 ECADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000340585671 321046022 /nfs/dbraw/zinc/04/60/22/321046022.db2.gz QHNQOYWRBGEBFX-HUUCEWRRSA-N 1 3 342.484 0.060 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000342900107 321108837 /nfs/dbraw/zinc/10/88/37/321108837.db2.gz YZUGDODOUOTNBH-HNNXBMFYSA-N 1 3 338.496 0.966 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000345432704 321187442 /nfs/dbraw/zinc/18/74/42/321187442.db2.gz LBELZEUHPLEPHJ-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347973700 321261355 /nfs/dbraw/zinc/26/13/55/321261355.db2.gz KDRYYZQKRWCWBX-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347973700 321261357 /nfs/dbraw/zinc/26/13/57/321261357.db2.gz KDRYYZQKRWCWBX-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000351855455 321338472 /nfs/dbraw/zinc/33/84/72/321338472.db2.gz TXMITGMIKJNJRC-NEPJUHHUSA-N 1 3 340.449 0.332 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000531119400 322035418 /nfs/dbraw/zinc/03/54/18/322035418.db2.gz QFTSTPBQOUKUAE-UHFFFAOYSA-N 1 3 349.479 0.816 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(OC(F)F)n(C)n1 ZINC000545954876 322112809 /nfs/dbraw/zinc/11/28/09/322112809.db2.gz TWKVTLPRVMNDKW-UHFFFAOYSA-N 1 3 333.383 0.587 20 0 ECADHO CN1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000547440274 322127389 /nfs/dbraw/zinc/12/73/89/322127389.db2.gz COEQUYWFIPTEFE-OAHLLOKOSA-N 1 3 337.468 0.075 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000548318676 322154837 /nfs/dbraw/zinc/15/48/37/322154837.db2.gz BCKFATMVWBIQHO-UHFFFAOYSA-N 1 3 332.408 0.296 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ncnn1C(C)(C)C ZINC000554652022 322177655 /nfs/dbraw/zinc/17/76/55/322177655.db2.gz IZDLAKPPGPVQCK-UHFFFAOYSA-N 1 3 339.488 0.668 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000561227009 322256891 /nfs/dbraw/zinc/25/68/91/322256891.db2.gz WBQHLKJLSHVNER-HNNXBMFYSA-N 1 3 342.484 0.108 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000561229883 322257052 /nfs/dbraw/zinc/25/70/52/322257052.db2.gz HBWICYMOHHSBTM-DLBZAZTESA-N 1 3 346.475 0.473 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000563214837 322304768 /nfs/dbraw/zinc/30/47/68/322304768.db2.gz DSIRDLJUYSMEEO-FHWLQOOXSA-N 1 3 333.476 0.714 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000563214837 322304770 /nfs/dbraw/zinc/30/47/70/322304770.db2.gz DSIRDLJUYSMEEO-FHWLQOOXSA-N 1 3 333.476 0.714 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H]1CN1CCOCC1 ZINC000563214837 322304771 /nfs/dbraw/zinc/30/47/71/322304771.db2.gz DSIRDLJUYSMEEO-FHWLQOOXSA-N 1 3 333.476 0.714 20 0 ECADHO CCNCc1cccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c1 ZINC000565657996 322470437 /nfs/dbraw/zinc/47/04/37/322470437.db2.gz HUGHEUPAKPSBRP-UHFFFAOYSA-N 1 3 339.461 0.901 20 0 ECADHO CC(C)[NH+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)C ZINC000569472051 322654485 /nfs/dbraw/zinc/65/44/85/322654485.db2.gz FXHCJHIOXYWECR-UONOGXRCSA-N 1 3 325.457 0.059 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000578767979 322874549 /nfs/dbraw/zinc/87/45/49/322874549.db2.gz JTJPROQANFGRRX-RBSFLKMASA-N 1 3 337.468 0.060 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001078006128 782121310 /nfs/dbraw/zinc/12/13/10/782121310.db2.gz SUXWGDKYLAMZAJ-GVDBMIGSSA-N 1 3 339.480 0.306 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001078006128 782121314 /nfs/dbraw/zinc/12/13/14/782121314.db2.gz SUXWGDKYLAMZAJ-GVDBMIGSSA-N 1 3 339.480 0.306 20 0 ECADHO O=C(N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011812 782135110 /nfs/dbraw/zinc/13/51/10/782135110.db2.gz IZDCOAXFLJELCQ-HZPDHXFCSA-N 1 3 333.476 0.824 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333734323 546063513 /nfs/dbraw/zinc/06/35/13/546063513.db2.gz WPMPXOYPYAMHQC-HUUCEWRRSA-N 1 3 325.501 0.842 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000333791409 546064044 /nfs/dbraw/zinc/06/40/44/546064044.db2.gz GGCFXGLPVAVYQF-RRFJBIMHSA-N 1 3 337.468 0.075 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415650273 546206634 /nfs/dbraw/zinc/20/66/34/546206634.db2.gz PYVOSMMNYPTUCT-UONOGXRCSA-N 1 3 348.447 0.952 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028025 546609726 /nfs/dbraw/zinc/60/97/26/546609726.db2.gz KVGPDJJFOULRHR-CRAIPNDOSA-N 1 3 338.496 0.907 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000623395354 546782612 /nfs/dbraw/zinc/78/26/12/546782612.db2.gz IMNNNTRIQFSCAF-KGLIPLIRSA-N 1 3 325.457 0.232 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000623395354 546782618 /nfs/dbraw/zinc/78/26/18/546782618.db2.gz IMNNNTRIQFSCAF-KGLIPLIRSA-N 1 3 325.457 0.232 20 0 ECADHO Nc1nc(N)nc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000624097963 546878314 /nfs/dbraw/zinc/87/83/14/546878314.db2.gz KRYMDSOVTLAEHZ-SOUVJXGZSA-N 1 3 339.447 0.831 20 0 ECADHO Nc1nc(N)nc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000624097963 546878315 /nfs/dbraw/zinc/87/83/15/546878315.db2.gz KRYMDSOVTLAEHZ-SOUVJXGZSA-N 1 3 339.447 0.831 20 0 ECADHO O=C(NCCN1CC[C@@H](O)C1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000625899969 547251537 /nfs/dbraw/zinc/25/15/37/547251537.db2.gz HONLFFLNAVSHKL-HZPDHXFCSA-N 1 3 334.420 0.536 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)NCCN2CC[C@@H](O)C2)[NH+](C)C)cc1 ZINC000636662336 547389661 /nfs/dbraw/zinc/38/96/61/547389661.db2.gz NACUBGGBZCDXEI-IAGOWNOFSA-N 1 3 334.464 0.964 20 0 ECADHO CN1CCN(Cc2ccc(CNC[C@H](O)C[N@H+](C)C3CC3)cc2)CC1 ZINC000644521439 547407833 /nfs/dbraw/zinc/40/78/33/547407833.db2.gz HTMOVMCQNIZFRD-FQEVSTJZSA-N 1 3 346.519 0.979 20 0 ECADHO CN1CCN(Cc2ccc(CNC[C@H](O)C[N@@H+](C)C3CC3)cc2)CC1 ZINC000644521439 547407839 /nfs/dbraw/zinc/40/78/39/547407839.db2.gz HTMOVMCQNIZFRD-FQEVSTJZSA-N 1 3 346.519 0.979 20 0 ECADHO Cc1ncc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(N)n1 ZINC000667641495 547539784 /nfs/dbraw/zinc/53/97/84/547539784.db2.gz WABHLUJZWAHXAF-UHFFFAOYSA-N 1 3 332.452 0.656 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668329351 547619981 /nfs/dbraw/zinc/61/99/81/547619981.db2.gz SXOZVUQGVIPQQI-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668329351 547619984 /nfs/dbraw/zinc/61/99/84/547619984.db2.gz SXOZVUQGVIPQQI-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CCN(C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000668502848 547672010 /nfs/dbraw/zinc/67/20/10/547672010.db2.gz VFDLIBPONMBVLB-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCN(CC)C1 ZINC000668544866 547682453 /nfs/dbraw/zinc/68/24/53/547682453.db2.gz LUOOLZWQSDASSY-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCN(CC)C1 ZINC000668544866 547682459 /nfs/dbraw/zinc/68/24/59/547682459.db2.gz LUOOLZWQSDASSY-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCO1 ZINC000668649628 547711806 /nfs/dbraw/zinc/71/18/06/547711806.db2.gz YIFGFRVEYNEBGI-UAGQMJEPSA-N 1 3 334.464 0.917 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)C1CCCC1 ZINC000668830426 547760957 /nfs/dbraw/zinc/76/09/57/547760957.db2.gz BTYDFIPSPVIKEP-AWEZNQCLSA-N 1 3 338.496 0.966 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)C1CCCC1 ZINC000668830426 547760960 /nfs/dbraw/zinc/76/09/60/547760960.db2.gz BTYDFIPSPVIKEP-AWEZNQCLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000670431013 548008421 /nfs/dbraw/zinc/00/84/21/548008421.db2.gz FAISHXWIMLYASK-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000670431013 548008424 /nfs/dbraw/zinc/00/84/24/548008424.db2.gz FAISHXWIMLYASK-XHSDSOJGSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000670984677 548076095 /nfs/dbraw/zinc/07/60/95/548076095.db2.gz RQJGPNPRWFPCQY-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000671170016 548103541 /nfs/dbraw/zinc/10/35/41/548103541.db2.gz CYQNOXILTFLWGK-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672011215 548254749 /nfs/dbraw/zinc/25/47/49/548254749.db2.gz QSBAXOCHNILNKY-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672203752 548280937 /nfs/dbraw/zinc/28/09/37/548280937.db2.gz BJHYWHVEYDSBJG-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672203752 548280941 /nfs/dbraw/zinc/28/09/41/548280941.db2.gz BJHYWHVEYDSBJG-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672307261 548303668 /nfs/dbraw/zinc/30/36/68/548303668.db2.gz RWZVXAQUKHKUFF-IXDOHACOSA-N 1 3 348.491 0.530 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672307261 548303670 /nfs/dbraw/zinc/30/36/70/548303670.db2.gz RWZVXAQUKHKUFF-IXDOHACOSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CN1C1CC1 ZINC000672310019 548305666 /nfs/dbraw/zinc/30/56/66/548305666.db2.gz CVHDCELRRAYEIM-BPLDGKMQSA-N 1 3 334.464 0.328 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CN1C1CC1 ZINC000672310019 548305668 /nfs/dbraw/zinc/30/56/68/548305668.db2.gz CVHDCELRRAYEIM-BPLDGKMQSA-N 1 3 334.464 0.328 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672310109 548307514 /nfs/dbraw/zinc/30/75/14/548307514.db2.gz HAYHWHQRUOBOSS-HOTGVXAUSA-N 1 3 336.480 0.576 20 0 ECADHO C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673513177 548503728 /nfs/dbraw/zinc/50/37/28/548503728.db2.gz CIPJKALPHFZSAA-HZPDHXFCSA-N 1 3 347.459 0.908 20 0 ECADHO CN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000675964024 548776457 /nfs/dbraw/zinc/77/64/57/548776457.db2.gz WRZUEDBZIBLISB-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000675964024 548776461 /nfs/dbraw/zinc/77/64/61/548776461.db2.gz WRZUEDBZIBLISB-HUUCEWRRSA-N 1 3 337.468 0.029 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000410429140 578132028 /nfs/dbraw/zinc/13/20/28/578132028.db2.gz BYNPMHWSPADDAM-SFHVURJKSA-N 1 3 336.480 0.485 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000410429140 578132029 /nfs/dbraw/zinc/13/20/29/578132029.db2.gz BYNPMHWSPADDAM-SFHVURJKSA-N 1 3 336.480 0.485 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000793722062 578937528 /nfs/dbraw/zinc/93/75/28/578937528.db2.gz UQNLYDCLPKCXRH-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000793722062 578937529 /nfs/dbraw/zinc/93/75/29/578937529.db2.gz UQNLYDCLPKCXRH-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](C)CCN1CCN(C)CC1 ZINC000769759077 579151163 /nfs/dbraw/zinc/15/11/63/579151163.db2.gz DWAKMLBIWOBBRS-CVEARBPZSA-N 1 3 341.569 0.961 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@H](C)CCN1CCN(C)CC1 ZINC000769759077 579151165 /nfs/dbraw/zinc/15/11/65/579151165.db2.gz DWAKMLBIWOBBRS-CVEARBPZSA-N 1 3 341.569 0.961 20 0 ECADHO COCCN1CCC[C@H]1CNC(=S)NCC1CC[NH+](C)CC1 ZINC000760484818 579511275 /nfs/dbraw/zinc/51/12/75/579511275.db2.gz SEKNVCTUPYCXOG-HNNXBMFYSA-N 1 3 328.526 0.903 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1)N1CCCCC1 ZINC000841019075 588976174 /nfs/dbraw/zinc/97/61/74/588976174.db2.gz BODPVLUUQMAOOD-AWEZNQCLSA-N 1 3 348.447 0.953 20 0 ECADHO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000841050627 588976888 /nfs/dbraw/zinc/97/68/88/588976888.db2.gz JJQFXGXMZLVPOT-ZDUSSCGKSA-N 1 3 346.431 0.708 20 0 ECADHO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000841050627 588976890 /nfs/dbraw/zinc/97/68/90/588976890.db2.gz JJQFXGXMZLVPOT-ZDUSSCGKSA-N 1 3 346.431 0.708 20 0 ECADHO CC1(C)CCCN1CCNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841139357 588979376 /nfs/dbraw/zinc/97/93/76/588979376.db2.gz GIIHOPWMMXRQJC-UHFFFAOYSA-N 1 3 348.447 0.953 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000842016277 589008580 /nfs/dbraw/zinc/00/85/80/589008580.db2.gz TVIBRKLREGMKTC-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842053253 589009761 /nfs/dbraw/zinc/00/97/61/589009761.db2.gz REBRQRTXISQRMB-RKVPGOIHSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842088832 589011089 /nfs/dbraw/zinc/01/10/89/589011089.db2.gz VAVFFANLCNBSSB-AWEZNQCLSA-N 1 3 338.496 0.953 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842224527 589022221 /nfs/dbraw/zinc/02/22/21/589022221.db2.gz MOKTVMZOOXPFTN-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000842250549 589024536 /nfs/dbraw/zinc/02/45/36/589024536.db2.gz VYRXVNPDXZDEGP-HNNXBMFYSA-N 1 3 334.464 0.330 20 0 ECADHO CCN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000891481118 586170770 /nfs/dbraw/zinc/17/07/70/586170770.db2.gz CXFDUXCTFWNQQY-LSDHHAIUSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000891497240 586171521 /nfs/dbraw/zinc/17/15/21/586171521.db2.gz HKLGMBZOITUYAR-KOMQPUFPSA-N 1 3 347.463 0.515 20 0 ECADHO CN(C(=O)NCC(C)(C)N1CCN(C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000891749195 586193402 /nfs/dbraw/zinc/19/34/02/586193402.db2.gz WJQMSKIVJMQROL-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO CN(C(=O)NCC(C)(C)N1CCN(C)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000891749195 586193405 /nfs/dbraw/zinc/19/34/05/586193405.db2.gz WJQMSKIVJMQROL-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000892157586 586224989 /nfs/dbraw/zinc/22/49/89/586224989.db2.gz ZGTWOJYNGLPSFN-AWEZNQCLSA-N 1 3 346.422 0.926 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000892166654 586226338 /nfs/dbraw/zinc/22/63/38/586226338.db2.gz KSMXAVFNCSYRAN-GOEBONIOSA-N 1 3 333.436 0.680 20 0 ECADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892780403 586290238 /nfs/dbraw/zinc/29/02/38/586290238.db2.gz RZKCFJSYZJPKPB-HNNXBMFYSA-N 1 3 342.484 0.365 20 0 ECADHO CC(C)C[C@H](NC1CC(S(C)(=O)=O)C1)C(=O)NCC[NH+](C)C ZINC000893260758 586320391 /nfs/dbraw/zinc/32/03/91/586320391.db2.gz PCTVIPCKQWDAAW-RUXDESIVSA-N 1 3 333.498 0.244 20 0 ECADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000897514898 586336775 /nfs/dbraw/zinc/33/67/75/586336775.db2.gz CGKNXHSLIYHDFR-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO C[C@H]1CCC[N@H+]1CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000897514898 586336776 /nfs/dbraw/zinc/33/67/76/586336776.db2.gz CGKNXHSLIYHDFR-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000897560186 586344627 /nfs/dbraw/zinc/34/46/27/586344627.db2.gz JNZATLMMGDVOKL-GJZGRUSLSA-N 1 3 347.463 0.575 20 0 ECADHO CN1C[C@H]2[C@@H](CCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000893742461 586355844 /nfs/dbraw/zinc/35/58/44/586355844.db2.gz JZFLRLMWETWLJM-PQEBFOHHSA-N 1 3 336.480 0.710 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000843048013 589047920 /nfs/dbraw/zinc/04/79/20/589047920.db2.gz IYMULNZPOBXAJF-OAHLLOKOSA-N 1 3 328.420 0.554 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843261972 589058283 /nfs/dbraw/zinc/05/82/83/589058283.db2.gz POGMXJBOWYZQKJ-HUUCEWRRSA-N 1 3 326.485 0.858 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)C1 ZINC000901077808 586690136 /nfs/dbraw/zinc/69/01/36/586690136.db2.gz OMUBRKZAYPOGAA-WMZOPIPTSA-N 1 3 339.480 0.547 20 0 ECADHO CN1CCC[C@](O)(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000901137684 586697381 /nfs/dbraw/zinc/69/73/81/586697381.db2.gz LDCZJIUWRABMBG-RDJZCZTQSA-N 1 3 327.469 0.186 20 0 ECADHO CN1CCC[C@](O)(CC(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000901137684 586697382 /nfs/dbraw/zinc/69/73/82/586697382.db2.gz LDCZJIUWRABMBG-RDJZCZTQSA-N 1 3 327.469 0.186 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000903464454 586776517 /nfs/dbraw/zinc/77/65/17/586776517.db2.gz OBGBJXMFGGLPQC-OAGGEKHMSA-N 1 3 332.496 0.854 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](N)C1 ZINC000903719649 586800997 /nfs/dbraw/zinc/80/09/97/586800997.db2.gz RRCVDNQJMKOPOY-MNOVXSKESA-N 1 3 338.374 0.135 20 0 ECADHO CS(=O)(=O)NC[C@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903724450 586802253 /nfs/dbraw/zinc/80/22/53/586802253.db2.gz NQIGVBIQMFWTFQ-HUUCEWRRSA-N 1 3 345.509 0.406 20 0 ECADHO OCCN(CCOCC(F)(F)F)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728884 586802774 /nfs/dbraw/zinc/80/27/74/586802774.db2.gz GSQGWZWPARBMHL-OLZOCXBDSA-N 1 3 326.359 0.628 20 0 ECADHO CCN1CCC(NC(=O)CN2CC[NH2+]CCC23CCOCC3)CC1 ZINC000903817825 586816393 /nfs/dbraw/zinc/81/63/93/586816393.db2.gz KXZYDWBNEWBTQB-UHFFFAOYSA-N 1 3 338.496 0.431 20 0 ECADHO C[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CS(N)(=O)=O ZINC000903826278 586818609 /nfs/dbraw/zinc/81/86/09/586818609.db2.gz HCJSTIZSUPBISV-RDBSUJKOSA-N 1 3 331.482 0.002 20 0 ECADHO COc1ccc([C@@H](C[NH3+])CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1 ZINC000903827791 586818693 /nfs/dbraw/zinc/81/86/93/586818693.db2.gz XBMRSEKMYFMWLF-SNPRPXQTSA-N 1 3 341.477 0.594 20 0 ECADHO COc1ccc([C@@H](CN)C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1 ZINC000903827791 586818696 /nfs/dbraw/zinc/81/86/96/586818696.db2.gz XBMRSEKMYFMWLF-SNPRPXQTSA-N 1 3 341.477 0.594 20 0 ECADHO COc1ccc([C@@H](CN)C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1 ZINC000903827791 586818697 /nfs/dbraw/zinc/81/86/97/586818697.db2.gz XBMRSEKMYFMWLF-SNPRPXQTSA-N 1 3 341.477 0.594 20 0 ECADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@]32CN)CC1 ZINC000904971745 586851650 /nfs/dbraw/zinc/85/16/50/586851650.db2.gz KCOVDIAXKFQMEA-YJBOKZPZSA-N 1 3 336.480 0.517 20 0 ECADHO C[NH+]1CCC(NC[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905026758 586866659 /nfs/dbraw/zinc/86/66/59/586866659.db2.gz OMIBXKZTLYYLMI-AWEZNQCLSA-N 1 3 347.525 0.672 20 0 ECADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)C2(O)CCOCC2)ccn1 ZINC000905188191 586875782 /nfs/dbraw/zinc/87/57/82/586875782.db2.gz DRMYBNZPJNYTGW-OAHLLOKOSA-N 1 3 339.436 0.014 20 0 ECADHO NS(=O)(=O)c1ccc(CCCNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000905686406 586909737 /nfs/dbraw/zinc/90/97/37/586909737.db2.gz IIJIIWLQCAGKCJ-HNNXBMFYSA-N 1 3 341.477 0.313 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(=O)N1C ZINC000906489039 586950821 /nfs/dbraw/zinc/95/08/21/586950821.db2.gz RMYOXMHMWDHGNJ-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(=O)N1C ZINC000906489039 586950823 /nfs/dbraw/zinc/95/08/23/586950823.db2.gz RMYOXMHMWDHGNJ-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000906740415 586973498 /nfs/dbraw/zinc/97/34/98/586973498.db2.gz UQEGFWFZFFUGTI-JOCQHMNTSA-N 1 3 334.420 0.549 20 0 ECADHO CN1CCN(C)CC(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000906739882 586973546 /nfs/dbraw/zinc/97/35/46/586973546.db2.gz GQMMITZDFJGACK-HNNXBMFYSA-N 1 3 338.496 0.097 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000817912779 587391709 /nfs/dbraw/zinc/39/17/09/587391709.db2.gz RUDFLAWIQDIGLN-PWSUYJOCSA-N 1 3 325.425 0.838 20 0 ECADHO CCS(=O)(=O)CCNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000818988379 587463666 /nfs/dbraw/zinc/46/36/66/587463666.db2.gz JJODBSISRWPUNG-UHFFFAOYSA-N 1 3 340.493 0.618 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000820074369 587507308 /nfs/dbraw/zinc/50/73/08/587507308.db2.gz IEUDZFOSBSOBFV-DZGCQCFKSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000820074369 587507309 /nfs/dbraw/zinc/50/73/09/587507309.db2.gz IEUDZFOSBSOBFV-DZGCQCFKSA-N 1 3 340.472 0.025 20 0 ECADHO COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1C ZINC000820080695 587507601 /nfs/dbraw/zinc/50/76/01/587507601.db2.gz ISEQNDKXBKIDNY-RRFJBIMHSA-N 1 3 342.484 0.851 20 0 ECADHO COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1C ZINC000820080695 587507603 /nfs/dbraw/zinc/50/76/03/587507603.db2.gz ISEQNDKXBKIDNY-RRFJBIMHSA-N 1 3 342.484 0.851 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000825702232 587956774 /nfs/dbraw/zinc/95/67/74/587956774.db2.gz QCLPFGFZRJUUOM-CABCVRRESA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000825702232 587956776 /nfs/dbraw/zinc/95/67/76/587956776.db2.gz QCLPFGFZRJUUOM-CABCVRRESA-N 1 3 339.484 0.480 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000828285518 588169805 /nfs/dbraw/zinc/16/98/05/588169805.db2.gz WAKAWJCGCBOBGX-RBSFLKMASA-N 1 3 338.496 0.964 20 0 ECADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000851689091 589414934 /nfs/dbraw/zinc/41/49/34/589414934.db2.gz JBVCXXCEXAKSFM-CABCVRRESA-N 1 3 336.480 0.707 20 0 ECADHO CN1CCN(Cc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852872359 589520801 /nfs/dbraw/zinc/52/08/01/589520801.db2.gz FCSTVNRDZGZRJT-OAHLLOKOSA-N 1 3 331.420 0.476 20 0 ECADHO [NH2+]=C(NOC[C@@H]1COCCO1)c1ccccc1CN1CCC(O)CC1 ZINC000853665160 589554109 /nfs/dbraw/zinc/55/41/09/589554109.db2.gz ZEGZZNCAXLTUOA-INIZCTEOSA-N 1 3 349.431 0.905 20 0 ECADHO CC(=O)N[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)(C)C ZINC000855346910 589627845 /nfs/dbraw/zinc/62/78/45/589627845.db2.gz OIFXMFHOOBETAV-DZGCQCFKSA-N 1 3 328.501 0.925 20 0 ECADHO CC(=O)N[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)(C)C ZINC000855346910 589627846 /nfs/dbraw/zinc/62/78/46/589627846.db2.gz OIFXMFHOOBETAV-DZGCQCFKSA-N 1 3 328.501 0.925 20 0 ECADHO O=C(CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Nc1cccnc1 ZINC000866714295 589761973 /nfs/dbraw/zinc/76/19/73/589761973.db2.gz LGUATQSYONLRLY-ZNMIVQPWSA-N 1 3 345.403 0.277 20 0 ECADHO NC(=O)c1ccc(CCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712261 589762414 /nfs/dbraw/zinc/76/24/14/589762414.db2.gz RZIAJEFWCIHYNE-XHSDSOJGSA-N 1 3 344.415 0.195 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCC1(C)C ZINC000867743070 589834056 /nfs/dbraw/zinc/83/40/56/589834056.db2.gz HBKWNCYNSQPADY-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCN3C3CCCC3)CC[C@@H]21 ZINC000867800062 589845577 /nfs/dbraw/zinc/84/55/77/589845577.db2.gz SLUJWFBJOIJCDG-OIISXLGYSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCN3C3CCCC3)CC[C@@H]21 ZINC000867800062 589845580 /nfs/dbraw/zinc/84/55/80/589845580.db2.gz SLUJWFBJOIJCDG-OIISXLGYSA-N 1 3 348.491 0.672 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])ccc1OCCN(C)C ZINC000861544495 589862612 /nfs/dbraw/zinc/86/26/12/589862612.db2.gz NGLPVQQDJPBVQM-ZDUSSCGKSA-N 1 3 336.436 0.680 20 0 ECADHO CN1CCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CCC1(C)C ZINC000868297425 589890420 /nfs/dbraw/zinc/89/04/20/589890420.db2.gz IKNRGAURSDAHPF-UHFFFAOYSA-N 1 3 348.447 0.905 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868366101 589897172 /nfs/dbraw/zinc/89/71/72/589897172.db2.gz NGAFSZIFPFOPEM-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cn1 ZINC000861914850 589904292 /nfs/dbraw/zinc/90/42/92/589904292.db2.gz XHFGHFDZBBVXGN-ALYAQQCSSA-N 1 3 331.464 0.474 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[C@@H](N2CCCCC2)C1 ZINC000868417712 589904507 /nfs/dbraw/zinc/90/45/07/589904507.db2.gz GSKKGOOYSUVEFR-PMPSAXMXSA-N 1 3 334.464 0.426 20 0 ECADHO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000863558252 590023661 /nfs/dbraw/zinc/02/36/61/590023661.db2.gz YYJNWMRPMOLHDM-HUUCEWRRSA-N 1 3 343.468 0.669 20 0 ECADHO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCCN2CC[C@H](O)C2)cc1 ZINC000863832582 590041651 /nfs/dbraw/zinc/04/16/51/590041651.db2.gz ARUHJMNGHMEZMH-JZLODUJNSA-N 1 3 347.459 0.823 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000871811756 590088499 /nfs/dbraw/zinc/08/84/99/590088499.db2.gz RMSOCXOXXCPAKB-OAHLLOKOSA-N 1 3 338.477 0.219 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCCC1 ZINC000864610657 590088616 /nfs/dbraw/zinc/08/86/16/590088616.db2.gz NZUDWROVLPADFD-ZDUSSCGKSA-N 1 3 328.457 0.653 20 0 ECADHO CCOC(=O)[C@@H]1CC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000865178553 590129891 /nfs/dbraw/zinc/12/98/91/590129891.db2.gz YULUNQJLRBUEQA-LSDHHAIUSA-N 1 3 327.469 0.918 20 0 ECADHO CN(C)c1ncc(CNCc2cccc(-n3cc(C[NH3+])nn3)c2)cn1 ZINC000873218712 590186984 /nfs/dbraw/zinc/18/69/84/590186984.db2.gz PEQSZHSDQMDNEV-UHFFFAOYSA-N 1 3 338.419 0.872 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000875459787 590303391 /nfs/dbraw/zinc/30/33/91/590303391.db2.gz IVUASSBLYJFAKJ-CSLYMUCUSA-N 1 3 338.496 0.966 20 0 ECADHO CN1CC[NH+](C2CCN(C[C@H](O)C[C@](C)(O)C3CC3)CC2)CC1 ZINC000879594191 590327020 /nfs/dbraw/zinc/32/70/20/590327020.db2.gz AQZIRXMEMKEFHM-MSOLQXFVSA-N 1 3 325.497 0.610 20 0 ECADHO CC(C)CN(CC(=O)N[C@H](C)C(=O)N(C)C)CC1CC[NH+](C)CC1 ZINC000879702637 590336113 /nfs/dbraw/zinc/33/61/13/590336113.db2.gz SUBGILVOORLIAK-OAHLLOKOSA-N 1 3 340.512 0.879 20 0 ECADHO COCCN(C)C[C@H](O)CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206613 590376771 /nfs/dbraw/zinc/37/67/71/590376771.db2.gz HQXKRQWCMMTVMO-IRXDYDNUSA-N 1 3 329.485 0.159 20 0 ECADHO COC[C@]1(CN(C)C)COCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000876474469 590379435 /nfs/dbraw/zinc/37/94/35/590379435.db2.gz COOMPRCCQYETBS-GOSISDBHSA-N 1 3 339.480 0.666 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000876743865 590408093 /nfs/dbraw/zinc/40/80/93/590408093.db2.gz JMZQNNXNWWQIEK-XIRDDKMYSA-N 1 3 333.432 0.544 20 0 ECADHO COc1cccc(C[C@H](N)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000876743865 590408095 /nfs/dbraw/zinc/40/80/95/590408095.db2.gz JMZQNNXNWWQIEK-XIRDDKMYSA-N 1 3 333.432 0.544 20 0 ECADHO C[NH+](C)C[C@H](N)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000876761123 590411211 /nfs/dbraw/zinc/41/12/11/590411211.db2.gz YSWZQACQBMCIRS-HNNXBMFYSA-N 1 3 340.512 0.805 20 0 ECADHO C[NH+](C)C[C@H](N)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000876782154 590414125 /nfs/dbraw/zinc/41/41/25/590414125.db2.gz UKNYDNOPXNZWHQ-SFHVURJKSA-N 1 3 347.507 0.199 20 0 ECADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CNCCC1(F)F ZINC000876866678 590420703 /nfs/dbraw/zinc/42/07/03/590420703.db2.gz WENGQBCDQMLNAJ-NEPJUHHUSA-N 1 3 327.379 0.843 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876880798 590422457 /nfs/dbraw/zinc/42/24/57/590422457.db2.gz NBAKCBRMKFUYSH-UONOGXRCSA-N 1 3 329.416 0.325 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000877132828 590439696 /nfs/dbraw/zinc/43/96/96/590439696.db2.gz OMAZOXSIJOJDAZ-OAHLLOKOSA-N 1 3 349.479 0.917 20 0 ECADHO C[NH+](C)CC1(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000877206060 590444532 /nfs/dbraw/zinc/44/45/32/590444532.db2.gz BFYUFIRTBYKRDC-UHFFFAOYSA-N 1 3 328.420 0.684 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3C[C@]34CCC[NH2+]C4)c2)nn1 ZINC000877207331 590445109 /nfs/dbraw/zinc/44/51/09/590445109.db2.gz SLFSGTNUBZUMBP-AEFFLSMTSA-N 1 3 340.431 0.732 20 0 ECADHO CN1CCC(NC(=O)Cn2cc(C[C@H]([NH3+])c3ccccc3)nn2)CC1 ZINC000881329664 590447000 /nfs/dbraw/zinc/44/70/00/590447000.db2.gz IBBNDGUUWQURMN-KRWDZBQOSA-N 1 3 342.447 0.731 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000878229918 590508473 /nfs/dbraw/zinc/50/84/73/590508473.db2.gz ABFZNRFLKIGDHT-INIZCTEOSA-N 1 3 341.496 0.432 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884849756 590633118 /nfs/dbraw/zinc/63/31/18/590633118.db2.gz TVRYHPVYVUHYNX-UHFFFAOYSA-N 1 3 344.459 0.503 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883637960 590636857 /nfs/dbraw/zinc/63/68/57/590636857.db2.gz ACLHHYIZUSOZFF-CABCVRRESA-N 1 3 345.447 0.316 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CCN1c1ccncc1 ZINC000883639209 590637361 /nfs/dbraw/zinc/63/73/61/590637361.db2.gz JHKNKMGXKJBNNV-CQSZACIVSA-N 1 3 345.447 0.316 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000883645694 590639967 /nfs/dbraw/zinc/63/99/67/590639967.db2.gz SSIXVCSVZSQMHI-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@H]21 ZINC000883659246 590646422 /nfs/dbraw/zinc/64/64/22/590646422.db2.gz BURBYSIZCLRSIQ-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@H]21 ZINC000883659246 590646424 /nfs/dbraw/zinc/64/64/24/590646424.db2.gz BURBYSIZCLRSIQ-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000883659793 590646456 /nfs/dbraw/zinc/64/64/56/590646456.db2.gz SZEWJVZUFIEMQF-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884966142 590656757 /nfs/dbraw/zinc/65/67/57/590656757.db2.gz DJSJATGPJCUZKF-ZIAGYGMSSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974226 590659060 /nfs/dbraw/zinc/65/90/60/590659060.db2.gz PNMDOCRNQYMCGQ-CABCVRRESA-N 1 3 338.496 0.822 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC000885201276 590694881 /nfs/dbraw/zinc/69/48/81/590694881.db2.gz UILJKZFACNVFMW-INIZCTEOSA-N 1 3 346.475 0.963 20 0 ECADHO N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CC[NH2+]CC1 ZINC000884005700 590703313 /nfs/dbraw/zinc/70/33/13/590703313.db2.gz RDMBYJBBKHZDDB-MRXNPFEDSA-N 1 3 329.448 0.449 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885284841 590703562 /nfs/dbraw/zinc/70/35/62/590703562.db2.gz DESWFVOCMIMRTC-CYBMUJFWSA-N 1 3 346.422 0.290 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCC1(C)C ZINC000885294246 590706825 /nfs/dbraw/zinc/70/68/25/590706825.db2.gz FDTSSXFHMQVTII-LBPRGKRZSA-N 1 3 346.422 0.290 20 0 ECADHO N[C@@H](CC1CC1)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884423561 590824847 /nfs/dbraw/zinc/82/48/47/590824847.db2.gz ZAKZJEAEUFRGJA-GJZGRUSLSA-N 1 3 346.479 0.653 20 0 ECADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000884464908 590835589 /nfs/dbraw/zinc/83/55/89/590835589.db2.gz GMNUTIBCBHOQQC-OAHLLOKOSA-N 1 3 328.420 0.588 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000884577070 590862226 /nfs/dbraw/zinc/86/22/26/590862226.db2.gz XBXZUPPNBXPUFP-UHFFFAOYSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884577279 590862481 /nfs/dbraw/zinc/86/24/81/590862481.db2.gz AYHKQJCVEOIIRX-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884577932 590862506 /nfs/dbraw/zinc/86/25/06/590862506.db2.gz PDQTUUNHFAJWIG-CHWSQXEVSA-N 1 3 346.422 0.338 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000884651949 590884466 /nfs/dbraw/zinc/88/44/66/590884466.db2.gz DYMPWUAJVKIHMT-GDBMZVCRSA-N 1 3 344.459 0.715 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000884684619 590893330 /nfs/dbraw/zinc/89/33/30/590893330.db2.gz LGDKQBYINAIXOS-NFOMZHRRSA-N 1 3 345.447 0.505 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000884686459 590894567 /nfs/dbraw/zinc/89/45/67/590894567.db2.gz JVDWSNBSCRWYAC-QGZVFWFLSA-N 1 3 346.475 0.883 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884690874 590897435 /nfs/dbraw/zinc/89/74/35/590897435.db2.gz OOANGIAFIUSPDB-HNNXBMFYSA-N 1 3 347.463 0.623 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000884694822 590900315 /nfs/dbraw/zinc/90/03/15/590900315.db2.gz YOEXPUXYUYXYHF-LSDHHAIUSA-N 1 3 345.447 0.377 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCCC3)CC[C@@H]21 ZINC000884699957 590900790 /nfs/dbraw/zinc/90/07/90/590900790.db2.gz KQVUIEJGSKSIPE-OAGGEKHMSA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCCC3)CC[C@@H]21 ZINC000884699957 590900793 /nfs/dbraw/zinc/90/07/93/590900793.db2.gz KQVUIEJGSKSIPE-OAGGEKHMSA-N 1 3 336.480 0.563 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000884699094 590901113 /nfs/dbraw/zinc/90/11/13/590901113.db2.gz XKPHEEFZRYLJPN-CQSZACIVSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884703061 590901660 /nfs/dbraw/zinc/90/16/60/590901660.db2.gz QVDWMGUJXXANKJ-UKRRQHHQSA-N 1 3 333.436 0.218 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884704663 590902636 /nfs/dbraw/zinc/90/26/36/590902636.db2.gz ONEYHWXJLMMSOP-SQWLQELKSA-N 1 3 332.448 0.334 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884704663 590902638 /nfs/dbraw/zinc/90/26/38/590902638.db2.gz ONEYHWXJLMMSOP-SQWLQELKSA-N 1 3 332.448 0.334 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000884715829 590906433 /nfs/dbraw/zinc/90/64/33/590906433.db2.gz FYECGISTDYGTFU-RDJZCZTQSA-N 1 3 342.443 0.459 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000884715829 590906438 /nfs/dbraw/zinc/90/64/38/590906438.db2.gz FYECGISTDYGTFU-RDJZCZTQSA-N 1 3 342.443 0.459 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)CC[NH2+]1 ZINC000884718322 590907198 /nfs/dbraw/zinc/90/71/98/590907198.db2.gz ATIQEHLAEUJPGB-RBSFLKMASA-N 1 3 345.447 0.375 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884720230 590908388 /nfs/dbraw/zinc/90/83/88/590908388.db2.gz IUVLHFKLVYJLNN-CABCVRRESA-N 1 3 347.463 0.752 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000887059485 590933862 /nfs/dbraw/zinc/93/38/62/590933862.db2.gz XNLLBJBRHFSHPU-OAHLLOKOSA-N 1 3 336.480 0.803 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000887059484 590933875 /nfs/dbraw/zinc/93/38/75/590933875.db2.gz XNLLBJBRHFSHPU-HNNXBMFYSA-N 1 3 336.480 0.803 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC000887091673 590942829 /nfs/dbraw/zinc/94/28/29/590942829.db2.gz SBTQCCXNXCWIEN-GJZGRUSLSA-N 1 3 345.447 0.329 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623364 611370732 /nfs/dbraw/zinc/37/07/32/611370732.db2.gz JISSGZPLTBEKGY-SOUVJXGZSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623364 611370734 /nfs/dbraw/zinc/37/07/34/611370734.db2.gz JISSGZPLTBEKGY-SOUVJXGZSA-N 1 3 336.480 0.515 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2CC1)C1CC1 ZINC000946623181 611370831 /nfs/dbraw/zinc/37/08/31/611370831.db2.gz FXHOAOYNLNRPPZ-YYIAUSFCSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1)C1CC1 ZINC000946623181 611370835 /nfs/dbraw/zinc/37/08/35/611370835.db2.gz FXHOAOYNLNRPPZ-YYIAUSFCSA-N 1 3 348.491 0.386 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2CC1)N(C)C ZINC000946642655 611383625 /nfs/dbraw/zinc/38/36/25/611383625.db2.gz OPNZSPLBRBIKNP-HLLBOEOZSA-N 1 3 348.495 0.826 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]2CC1)N(C)C ZINC000946642655 611383628 /nfs/dbraw/zinc/38/36/28/611383628.db2.gz OPNZSPLBRBIKNP-HLLBOEOZSA-N 1 3 348.495 0.826 20 0 ECADHO CC(C)N1CCN(C2CC[NH+](C[C@@H](O)C3(O)CCC3)CC2)CC1 ZINC000930130724 611393748 /nfs/dbraw/zinc/39/37/48/611393748.db2.gz TZAYQGCKHFBAMH-QGZVFWFLSA-N 1 3 325.497 0.753 20 0 ECADHO CN1CCN(CCNC(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC000935819416 611404225 /nfs/dbraw/zinc/40/42/25/611404225.db2.gz VOORQLUYKGHBEN-UHFFFAOYSA-N 1 3 326.485 0.239 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(CC2([NH+]3CCSCC3)CCCC2)C1=O ZINC000924487734 611408109 /nfs/dbraw/zinc/40/81/09/611408109.db2.gz ONMJOLMNYMRUCI-CYBMUJFWSA-N 1 3 340.493 0.830 20 0 ECADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924655333 611421252 /nfs/dbraw/zinc/42/12/52/611421252.db2.gz IPKBDJVQJHFVSG-LBPRGKRZSA-N 1 3 334.420 0.835 20 0 ECADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924655333 611421255 /nfs/dbraw/zinc/42/12/55/611421255.db2.gz IPKBDJVQJHFVSG-LBPRGKRZSA-N 1 3 334.420 0.835 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)CC(C)(C)O1 ZINC000930498945 611436133 /nfs/dbraw/zinc/43/61/33/611436133.db2.gz BOXFGBISRUYOAG-INIZCTEOSA-N 1 3 342.528 0.828 20 0 ECADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCCN(CCN3CCOCC3)C1)[NH2+]2 ZINC000925768676 611498918 /nfs/dbraw/zinc/49/89/18/611498918.db2.gz LOTDFDXAXAOZAR-RHQZKXFESA-N 1 3 336.524 0.902 20 0 ECADHO Cn1ccnc(N2CCC[C@H]([NH2+]C3[C@@H]4CC[C@H]3CN(C)C4)C2)c1=O ZINC000926322588 611534634 /nfs/dbraw/zinc/53/46/34/611534634.db2.gz VXEYOYFAFKXXJF-QGPPMGRFSA-N 1 3 331.464 0.679 20 0 ECADHO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1CN([C@@H]2CCOC2)C1 ZINC000928072305 608671338 /nfs/dbraw/zinc/67/13/38/608671338.db2.gz FZEPHJOPLMJBJR-KFWWJZLASA-N 1 3 325.478 0.403 20 0 ECADHO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C1CN([C@@H]2CCOC2)C1 ZINC000928072305 608671340 /nfs/dbraw/zinc/67/13/40/608671340.db2.gz FZEPHJOPLMJBJR-KFWWJZLASA-N 1 3 325.478 0.403 20 0 ECADHO O=C(N[C@@H]1CCCN2CCSC[C@@H]12)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000928072305 608671342 /nfs/dbraw/zinc/67/13/42/608671342.db2.gz FZEPHJOPLMJBJR-KFWWJZLASA-N 1 3 325.478 0.403 20 0 ECADHO CN(CCO)CCNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000924999748 608694810 /nfs/dbraw/zinc/69/48/10/608694810.db2.gz NWLXWNVGQDEMMN-SFHVURJKSA-N 1 3 333.476 0.981 20 0 ECADHO CN(CCO)CCNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000924999748 608694812 /nfs/dbraw/zinc/69/48/12/608694812.db2.gz NWLXWNVGQDEMMN-SFHVURJKSA-N 1 3 333.476 0.981 20 0 ECADHO C[NH+]1CCC(NC(=O)CN[C@](C)(CO)Cc2ccc(F)cc2)CC1 ZINC000933440695 608753592 /nfs/dbraw/zinc/75/35/92/608753592.db2.gz FVFLMPCBPAYLKH-SFHVURJKSA-N 1 3 337.439 0.919 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000947512931 608847505 /nfs/dbraw/zinc/84/75/05/608847505.db2.gz ASYOLAMPPYUPTQ-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO CCN(C)C[C@H](O)C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934752340 608857288 /nfs/dbraw/zinc/85/72/88/608857288.db2.gz OADYESFFJQRCFG-OYHNWAKOSA-N 1 3 334.530 0.585 20 0 ECADHO O=S1(=O)CCNC[C@@H]1CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925789762 608969594 /nfs/dbraw/zinc/96/95/94/608969594.db2.gz XKPUJXSOPBJQBB-JYJNAYRXSA-N 1 3 329.510 0.521 20 0 ECADHO C[C@@H]1[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000928429098 611686729 /nfs/dbraw/zinc/68/67/29/611686729.db2.gz ZHNLOCWGYBQRNZ-UPJWGTAASA-N 1 3 328.457 0.650 20 0 ECADHO C[C@@H]1[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000928429098 611686731 /nfs/dbraw/zinc/68/67/31/611686731.db2.gz ZHNLOCWGYBQRNZ-UPJWGTAASA-N 1 3 328.457 0.650 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1=O ZINC000928448327 611689506 /nfs/dbraw/zinc/68/95/06/611689506.db2.gz NIDLWVYPQVFCMW-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1=O ZINC000928448327 611689508 /nfs/dbraw/zinc/68/95/08/611689508.db2.gz NIDLWVYPQVFCMW-KLHDSHLOSA-N 1 3 336.480 0.528 20 0 ECADHO CCO[C@@H](CNC(=O)NC[C@@H](C)CN1CCN(C)CC1)C[NH+](C)C ZINC000920453344 609682880 /nfs/dbraw/zinc/68/28/80/609682880.db2.gz ZFESYVGIFSKALP-CVEARBPZSA-N 1 3 343.516 0.136 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000910601079 609737702 /nfs/dbraw/zinc/73/77/02/609737702.db2.gz BDPFQQJZQQEGON-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[C@@H]1CCN(CC)C1 ZINC000910735869 609754111 /nfs/dbraw/zinc/75/41/11/609754111.db2.gz GUFWFIPPOUTRJW-HDMKZQKVSA-N 1 3 336.480 0.339 20 0 ECADHO CCN(C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[C@@H]1CCN(CC)C1 ZINC000910735869 609754112 /nfs/dbraw/zinc/75/41/12/609754112.db2.gz GUFWFIPPOUTRJW-HDMKZQKVSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)(C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCCC1 ZINC000938401889 609778343 /nfs/dbraw/zinc/77/83/43/609778343.db2.gz JEJXDRHMRMBHDH-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000911055442 609795807 /nfs/dbraw/zinc/79/58/07/609795807.db2.gz OVSYPCZXSQDHFT-DAYGRLMNSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911029757 609796275 /nfs/dbraw/zinc/79/62/75/609796275.db2.gz PFTZURAMBNIKSI-UGUYLWEFSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000911162933 609817965 /nfs/dbraw/zinc/81/79/65/609817965.db2.gz UJKOICDJHSGOKM-RHSMWYFYSA-N 1 3 344.459 0.275 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000911197692 609829387 /nfs/dbraw/zinc/82/93/87/609829387.db2.gz BHZVVJCZYHHYHT-XJKSGUPXSA-N 1 3 342.509 0.140 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[C@@H]1C[NH3+] ZINC000911258818 609837939 /nfs/dbraw/zinc/83/79/39/609837939.db2.gz SBVRDANQVVKDEX-RBSFLKMASA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911332110 609849950 /nfs/dbraw/zinc/84/99/50/609849950.db2.gz NWWOZLACVVAGRV-MPGHIAIKSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911334342 609850409 /nfs/dbraw/zinc/85/04/09/609850409.db2.gz ZXFQMAGGNZLIDZ-BZUAXINKSA-N 1 3 338.496 0.585 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543750 609851459 /nfs/dbraw/zinc/85/14/59/609851459.db2.gz BGRUMUBDSXVOHC-INIZCTEOSA-N 1 3 348.491 0.770 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938545440 609860310 /nfs/dbraw/zinc/86/03/10/609860310.db2.gz FDTCOPONQHCLOE-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938545440 609860311 /nfs/dbraw/zinc/86/03/11/609860311.db2.gz FDTCOPONQHCLOE-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C(C)C ZINC000911516381 609889212 /nfs/dbraw/zinc/88/92/12/609889212.db2.gz BFZRGNJZWMBSDA-HZPDHXFCSA-N 1 3 332.448 0.574 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C(C)C ZINC000911516381 609889213 /nfs/dbraw/zinc/88/92/13/609889213.db2.gz BFZRGNJZWMBSDA-HZPDHXFCSA-N 1 3 332.448 0.574 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911516875 609889592 /nfs/dbraw/zinc/88/95/92/609889592.db2.gz OOKKYGMRWJXVGU-IAGOWNOFSA-N 1 3 346.475 0.774 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517756 609890261 /nfs/dbraw/zinc/89/02/61/609890261.db2.gz LWSXGKSGSZNUHW-USXIJHARSA-N 1 3 344.459 0.716 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000916002271 609928679 /nfs/dbraw/zinc/92/86/79/609928679.db2.gz FWVVDVQVTWWXQL-JKSUJKDBSA-N 1 3 341.569 0.961 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=S)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000916002271 609928680 /nfs/dbraw/zinc/92/86/80/609928680.db2.gz FWVVDVQVTWWXQL-JKSUJKDBSA-N 1 3 341.569 0.961 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)CC1=O ZINC000912600480 609972962 /nfs/dbraw/zinc/97/29/62/609972962.db2.gz MHUTXYYSJRKVNT-QLFBSQMISA-N 1 3 336.480 0.386 20 0 ECADHO CCn1nncc1CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939547222 610233871 /nfs/dbraw/zinc/23/38/71/610233871.db2.gz XBJWACOXZDUODH-UKRRQHHQSA-N 1 3 332.452 0.330 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000940512665 610293752 /nfs/dbraw/zinc/29/37/52/610293752.db2.gz IXXNQDFXIDSQMU-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000940512665 610293753 /nfs/dbraw/zinc/29/37/53/610293753.db2.gz IXXNQDFXIDSQMU-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCn3cncn3)CC2(C)C)CC[N@@H+]1C ZINC000940757308 610359393 /nfs/dbraw/zinc/35/93/93/610359393.db2.gz YTZNIRNTZGHFOP-OAGGEKHMSA-N 1 3 348.495 0.835 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCn3cncn3)CC2(C)C)CC[N@H+]1C ZINC000940757308 610359394 /nfs/dbraw/zinc/35/93/94/610359394.db2.gz YTZNIRNTZGHFOP-OAGGEKHMSA-N 1 3 348.495 0.835 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000941933754 610570231 /nfs/dbraw/zinc/57/02/31/610570231.db2.gz AQXWHZYHDVRYJH-CABCVRRESA-N 1 3 347.463 0.852 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000941933754 610570233 /nfs/dbraw/zinc/57/02/33/610570233.db2.gz AQXWHZYHDVRYJH-CABCVRRESA-N 1 3 347.463 0.852 20 0 ECADHO C[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)c1cnccc1N(C)C ZINC000944171490 610764570 /nfs/dbraw/zinc/76/45/70/610764570.db2.gz XSOFWIMTQMSCKB-DZGCQCFKSA-N 1 3 347.463 0.676 20 0 ECADHO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)c1cnccc1N(C)C ZINC000944171490 610764573 /nfs/dbraw/zinc/76/45/73/610764573.db2.gz XSOFWIMTQMSCKB-DZGCQCFKSA-N 1 3 347.463 0.676 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943264840 610768584 /nfs/dbraw/zinc/76/85/84/610768584.db2.gz MLFJJIOQFGXWPY-UONOGXRCSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943264840 610768586 /nfs/dbraw/zinc/76/85/86/610768586.db2.gz MLFJJIOQFGXWPY-UONOGXRCSA-N 1 3 333.436 0.401 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000944884396 610828830 /nfs/dbraw/zinc/82/88/30/610828830.db2.gz NUHXKHCVEUMSDJ-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000944884396 610828833 /nfs/dbraw/zinc/82/88/33/610828833.db2.gz NUHXKHCVEUMSDJ-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000944328846 610839103 /nfs/dbraw/zinc/83/91/03/610839103.db2.gz KGLYMGWMVSVXOV-OAHLLOKOSA-N 1 3 333.436 0.401 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000923279449 611223799 /nfs/dbraw/zinc/22/37/99/611223799.db2.gz AYFGFDVTFMOZIS-IUODEOHRSA-N 1 3 327.375 0.785 20 0 ECADHO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301426 611226381 /nfs/dbraw/zinc/22/63/81/611226381.db2.gz HIFFESZWEWKNOV-GXTWGEPZSA-N 1 3 339.461 0.705 20 0 ECADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316203 611227723 /nfs/dbraw/zinc/22/77/23/611227723.db2.gz DYTJDBAQWQMVEW-CYDGBPFRSA-N 1 3 337.386 0.960 20 0 ECADHO CCN1CCN(C(=O)CC2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)CC1 ZINC000923323992 611229752 /nfs/dbraw/zinc/22/97/52/611229752.db2.gz NQVVTRRRCCKSPT-ULQDDVLXSA-N 1 3 338.496 0.103 20 0 ECADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCCN(CCO[C@H]2CCOC2)C1 ZINC000923398028 611237810 /nfs/dbraw/zinc/23/78/10/611237810.db2.gz ITTHPSNUJJONAN-HOTGVXAUSA-N 1 3 349.479 0.804 20 0 ECADHO CNC(=O)[C@H](C)N1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948741735 611250467 /nfs/dbraw/zinc/25/04/67/611250467.db2.gz DPJJTDPSUCUQON-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO NC(=O)CCN(Cc1ccccc1)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923489919 611251077 /nfs/dbraw/zinc/25/10/77/611251077.db2.gz ZKEYMPOSIOKGHU-MRXNPFEDSA-N 1 3 332.448 0.561 20 0 ECADHO C[C@@H]1CN(CC(=O)NCCCN2CCCCCC2=O)CC[C@H]1C[NH3+] ZINC000923497139 611252188 /nfs/dbraw/zinc/25/21/88/611252188.db2.gz FPLJFQGUIMBISF-CVEARBPZSA-N 1 3 338.496 0.812 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)c2cnccc2N(C)C)CCN1CC(=O)N(C)C ZINC000947940416 611257773 /nfs/dbraw/zinc/25/77/73/611257773.db2.gz PWJUAGXUBWAFEP-ZIAGYGMSSA-N 1 3 347.463 0.819 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)c2cnccc2N(C)C)CC[N@@H+]1CC(=O)N(C)C ZINC000947940416 611257774 /nfs/dbraw/zinc/25/77/74/611257774.db2.gz PWJUAGXUBWAFEP-ZIAGYGMSSA-N 1 3 347.463 0.819 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)c2cnccc2N(C)C)CC[N@H+]1CC(=O)N(C)C ZINC000947940416 611257776 /nfs/dbraw/zinc/25/77/76/611257776.db2.gz PWJUAGXUBWAFEP-ZIAGYGMSSA-N 1 3 347.463 0.819 20 0 ECADHO COC(=O)[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]([C@@H]2CCCO2)C1 ZINC000923556337 611262288 /nfs/dbraw/zinc/26/22/88/611262288.db2.gz WELBWFZOYRGLJQ-UGUYLWEFSA-N 1 3 338.448 0.940 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2CC1 ZINC000946518092 611297219 /nfs/dbraw/zinc/29/72/19/611297219.db2.gz ODZKLCIWPZFOIN-QKPAOTATSA-N 1 3 334.464 0.140 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1 ZINC000946518092 611297221 /nfs/dbraw/zinc/29/72/21/611297221.db2.gz ODZKLCIWPZFOIN-QKPAOTATSA-N 1 3 334.464 0.140 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC000950824592 611926955 /nfs/dbraw/zinc/92/69/55/611926955.db2.gz NUQVDOBJZPIVKM-HZPDHXFCSA-N 1 3 336.480 0.386 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000952151241 612250289 /nfs/dbraw/zinc/25/02/89/612250289.db2.gz GRDISHDJOSXONO-ZBFHGGJFSA-N 1 3 345.447 0.401 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000952151240 612250502 /nfs/dbraw/zinc/25/05/02/612250502.db2.gz GRDISHDJOSXONO-HOCLYGCPSA-N 1 3 345.447 0.401 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC000954492370 612324434 /nfs/dbraw/zinc/32/44/34/612324434.db2.gz QEEVXHWLINJTTD-HOTGVXAUSA-N 1 3 338.496 0.870 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC000954492370 612324436 /nfs/dbraw/zinc/32/44/36/612324436.db2.gz QEEVXHWLINJTTD-HOTGVXAUSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCCN2C)CC[N@@H+]1C ZINC000951736012 612532320 /nfs/dbraw/zinc/53/23/20/612532320.db2.gz NPSPUJLHCNJVIU-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCCN2C)CC[N@H+]1C ZINC000951736012 612532326 /nfs/dbraw/zinc/53/23/26/612532326.db2.gz NPSPUJLHCNJVIU-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954835978 612729657 /nfs/dbraw/zinc/72/96/57/612729657.db2.gz BTEHYGXFPKJNLS-UKRRQHHQSA-N 1 3 347.463 0.742 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954842595 612737753 /nfs/dbraw/zinc/73/77/53/612737753.db2.gz JZBIGDCUVVMXMQ-INIZCTEOSA-N 1 3 348.491 0.626 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000956256761 612803641 /nfs/dbraw/zinc/80/36/41/612803641.db2.gz RUUQRRRUVVVMMS-HRCADAONSA-N 1 3 347.463 0.790 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000956256761 612803642 /nfs/dbraw/zinc/80/36/42/612803642.db2.gz RUUQRRRUVVVMMS-HRCADAONSA-N 1 3 347.463 0.790 20 0 ECADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954952268 612814543 /nfs/dbraw/zinc/81/45/43/612814543.db2.gz BQRLXOCXIYCMSH-OAHLLOKOSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000954997260 612842759 /nfs/dbraw/zinc/84/27/59/612842759.db2.gz RDRMHFXWPJTXDW-BBRMVZONSA-N 1 3 347.463 0.599 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000954997260 612842761 /nfs/dbraw/zinc/84/27/61/612842761.db2.gz RDRMHFXWPJTXDW-BBRMVZONSA-N 1 3 347.463 0.599 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325315 612856448 /nfs/dbraw/zinc/85/64/48/612856448.db2.gz GSDXUFKHHLYNJN-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325315 612856450 /nfs/dbraw/zinc/85/64/50/612856450.db2.gz GSDXUFKHHLYNJN-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CN([C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)[C@H]1CCN(C)C1=O ZINC000971873033 735291434 /nfs/dbraw/zinc/29/14/34/735291434.db2.gz SVMRCUHCBMRBEK-ZBFHGGJFSA-N 1 3 341.415 0.711 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@H](NCc3cccc(C(N)=O)c3)C2)CC1 ZINC000969799342 732374857 /nfs/dbraw/zinc/37/48/57/732374857.db2.gz FILYKIIPBOUSKQ-QGZVFWFLSA-N 1 3 344.459 0.818 20 0 ECADHO COCCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969832831 732425331 /nfs/dbraw/zinc/42/53/31/732425331.db2.gz JTCIOTIJWRZPBZ-YOEHRIQHSA-N 1 3 339.480 0.713 20 0 ECADHO COCCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832831 732425334 /nfs/dbraw/zinc/42/53/34/732425334.db2.gz JTCIOTIJWRZPBZ-YOEHRIQHSA-N 1 3 339.480 0.713 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)n1 ZINC000969846249 732435370 /nfs/dbraw/zinc/43/53/70/732435370.db2.gz QMGIGUFHIKCGIL-HZPDHXFCSA-N 1 3 336.484 0.672 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000969952494 732556750 /nfs/dbraw/zinc/55/67/50/732556750.db2.gz WXYQHDOTQQTMPG-UKRRQHHQSA-N 1 3 334.468 0.781 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000969952494 732556753 /nfs/dbraw/zinc/55/67/53/732556753.db2.gz WXYQHDOTQQTMPG-UKRRQHHQSA-N 1 3 334.468 0.781 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001025098080 738642683 /nfs/dbraw/zinc/64/26/83/738642683.db2.gz IZOHGHLDEHCJKG-GOEBONIOSA-N 1 3 347.463 0.839 20 0 ECADHO Cn1nccc1CN[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970231528 733246939 /nfs/dbraw/zinc/24/69/39/733246939.db2.gz SIKHKFSKNQPPPA-OAHLLOKOSA-N 1 3 345.451 0.183 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N[C@@H]3CCN(C)C3=O)C2)CC1 ZINC000970383300 733451977 /nfs/dbraw/zinc/45/19/77/733451977.db2.gz SMAMYFYRCVPHKT-HZPDHXFCSA-N 1 3 336.480 0.528 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC000970711583 733858480 /nfs/dbraw/zinc/85/84/80/733858480.db2.gz GCBMBUFUEAKMGF-DZGCQCFKSA-N 1 3 333.436 0.436 20 0 ECADHO COc1ncc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC000970711583 733858490 /nfs/dbraw/zinc/85/84/90/733858490.db2.gz GCBMBUFUEAKMGF-DZGCQCFKSA-N 1 3 333.436 0.436 20 0 ECADHO COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294199 734016160 /nfs/dbraw/zinc/01/61/60/734016160.db2.gz CFIHREHIIBYLLW-BFYDXBDKSA-N 1 3 341.496 0.552 20 0 ECADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322659 734301732 /nfs/dbraw/zinc/30/17/32/734301732.db2.gz WFASGKVGNKHKSX-NCOADZHNSA-N 1 3 343.512 0.654 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000971205016 734360589 /nfs/dbraw/zinc/36/05/89/734360589.db2.gz RRILJMCIZVTLPA-HZPDHXFCSA-N 1 3 332.448 0.512 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000971205016 734360594 /nfs/dbraw/zinc/36/05/94/734360594.db2.gz RRILJMCIZVTLPA-HZPDHXFCSA-N 1 3 332.448 0.512 20 0 ECADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)C(C)C ZINC001114988371 734726203 /nfs/dbraw/zinc/72/62/03/734726203.db2.gz DOFHWJNMRMLGAV-LTIDMASMSA-N 1 3 341.496 0.408 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC2CC2)CC1 ZINC001167480601 734821899 /nfs/dbraw/zinc/82/18/99/734821899.db2.gz MWLCFBVRAJQUJS-CQSZACIVSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1 ZINC000972330326 735955345 /nfs/dbraw/zinc/95/53/45/735955345.db2.gz DYXNSRSIOHZWDC-RDJZCZTQSA-N 1 3 333.480 0.980 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC000972330326 735955349 /nfs/dbraw/zinc/95/53/49/735955349.db2.gz DYXNSRSIOHZWDC-RDJZCZTQSA-N 1 3 333.480 0.980 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC000972331426 735957627 /nfs/dbraw/zinc/95/76/27/735957627.db2.gz KQSGLOXOUIPSHS-YOEHRIQHSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC000972331426 735957630 /nfs/dbraw/zinc/95/76/30/735957630.db2.gz KQSGLOXOUIPSHS-YOEHRIQHSA-N 1 3 348.495 0.912 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)CCN3CCCC3=O)C2)C1 ZINC000972334513 735960284 /nfs/dbraw/zinc/96/02/84/735960284.db2.gz HYDCUDIUBQWWFJ-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)CCN3CCCC3=O)C2)C1 ZINC000972334513 735960287 /nfs/dbraw/zinc/96/02/87/735960287.db2.gz HYDCUDIUBQWWFJ-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001023126398 736522209 /nfs/dbraw/zinc/52/22/09/736522209.db2.gz VFGIZNBTKPWGFD-OWCLPIDISA-N 1 3 330.432 0.487 20 0 ECADHO C[C@@H](C(N)=O)N1CCC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468812 736880299 /nfs/dbraw/zinc/88/02/99/736880299.db2.gz ZSPQSHZYGBFKJH-QWHCGFSZSA-N 1 3 329.404 0.650 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468812 736880301 /nfs/dbraw/zinc/88/03/01/736880301.db2.gz ZSPQSHZYGBFKJH-QWHCGFSZSA-N 1 3 329.404 0.650 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468812 736880303 /nfs/dbraw/zinc/88/03/03/736880303.db2.gz ZSPQSHZYGBFKJH-QWHCGFSZSA-N 1 3 329.404 0.650 20 0 ECADHO COCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023499946 736924871 /nfs/dbraw/zinc/92/48/71/736924871.db2.gz MKSJVZUHLOLJKN-UERKLNTKSA-N 1 3 337.464 0.324 20 0 ECADHO COCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023499946 736924875 /nfs/dbraw/zinc/92/48/75/736924875.db2.gz MKSJVZUHLOLJKN-UERKLNTKSA-N 1 3 337.464 0.324 20 0 ECADHO CN(C)C1(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001067462297 737303591 /nfs/dbraw/zinc/30/35/91/737303591.db2.gz GXOKRZIAUZZKOK-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)C1(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001067462297 737303594 /nfs/dbraw/zinc/30/35/94/737303594.db2.gz GXOKRZIAUZZKOK-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001067463404 737316374 /nfs/dbraw/zinc/31/63/74/737316374.db2.gz ZFRFBAXIKCSZRJ-HNNXBMFYSA-N 1 3 340.512 0.975 20 0 ECADHO CCN(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067463404 737316376 /nfs/dbraw/zinc/31/63/76/737316376.db2.gz ZFRFBAXIKCSZRJ-HNNXBMFYSA-N 1 3 340.512 0.975 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001067463611 737318475 /nfs/dbraw/zinc/31/84/75/737318475.db2.gz KUHQHMBECJEVCF-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001067463611 737318477 /nfs/dbraw/zinc/31/84/77/737318477.db2.gz KUHQHMBECJEVCF-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC000972743025 737584956 /nfs/dbraw/zinc/58/49/56/737584956.db2.gz MZLXVDCFNAKYPT-CJNGLKHVSA-N 1 3 345.447 0.573 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC000972743025 737584957 /nfs/dbraw/zinc/58/49/57/737584957.db2.gz MZLXVDCFNAKYPT-CJNGLKHVSA-N 1 3 345.447 0.573 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](CNCc2cn(C)nn2)C1)[NH+](C)C ZINC001024026688 737640229 /nfs/dbraw/zinc/64/02/29/737640229.db2.gz GZMNJPVVTXELGL-HOCLYGCPSA-N 1 3 336.484 0.730 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001024187746 737805795 /nfs/dbraw/zinc/80/57/95/737805795.db2.gz AUPZPPJWZJZEKI-INIZCTEOSA-N 1 3 348.495 0.875 20 0 ECADHO COCCN1CCCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024701757 738231286 /nfs/dbraw/zinc/23/12/86/738231286.db2.gz JRJBJMRWIKMAEF-MRXNPFEDSA-N 1 3 337.468 0.675 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100729889 739145462 /nfs/dbraw/zinc/14/54/62/739145462.db2.gz UZYCEMZGOTVNQD-GPANFISMSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)(C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC(N)=O)[C@@H]2C1)N1CCCCC1 ZINC001026268124 740696413 /nfs/dbraw/zinc/69/64/13/740696413.db2.gz WBZPWKNINHLFKH-RRFJBIMHSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000974164140 741039972 /nfs/dbraw/zinc/03/99/72/741039972.db2.gz YJFNHGCNZMOKGA-LLLHUVSDSA-N 1 3 348.491 0.433 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000974322874 741311083 /nfs/dbraw/zinc/31/10/83/741311083.db2.gz DJQHDJFVUFTMJK-HRCADAONSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000974323127 741312045 /nfs/dbraw/zinc/31/20/45/741312045.db2.gz NSUJKKALKDIASY-OAGGEKHMSA-N 1 3 348.491 0.720 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001026735101 741734008 /nfs/dbraw/zinc/73/40/08/741734008.db2.gz YOIOGMCKPSLNPR-NVXWUHKLSA-N 1 3 344.459 0.818 20 0 ECADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC001026888804 742028782 /nfs/dbraw/zinc/02/87/82/742028782.db2.gz NWJGSZHMRGNPAM-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001026887036 742042360 /nfs/dbraw/zinc/04/23/60/742042360.db2.gz KIDBGXHITMHOQT-BBRMVZONSA-N 1 3 334.468 0.576 20 0 ECADHO CC(C)N1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091096 742524223 /nfs/dbraw/zinc/52/42/23/742524223.db2.gz DCLYVUSWARDVCD-ZFWWWQNUSA-N 1 3 333.436 0.400 20 0 ECADHO COc1cc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)ccn1 ZINC001027091605 742525623 /nfs/dbraw/zinc/52/56/23/742525623.db2.gz QGJFSXQTRQWTTN-CQSZACIVSA-N 1 3 329.404 0.994 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001027091831 742526126 /nfs/dbraw/zinc/52/61/26/742526126.db2.gz VPEZGPFDUSAXOH-XJKSGUPXSA-N 1 3 345.447 0.544 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1)N(C)C ZINC000996966878 743078511 /nfs/dbraw/zinc/07/85/11/743078511.db2.gz WQYIUZOLODACRN-NVXWUHKLSA-N 1 3 348.495 0.932 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997006292 743119805 /nfs/dbraw/zinc/11/98/05/743119805.db2.gz KQSGUPQVGDUZFA-MRXNPFEDSA-N 1 3 328.432 0.265 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027215938 743189306 /nfs/dbraw/zinc/18/93/06/743189306.db2.gz OYIKZWHVHTUNMV-ZIAGYGMSSA-N 1 3 333.436 0.375 20 0 ECADHO COc1nccc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027215938 743189311 /nfs/dbraw/zinc/18/93/11/743189311.db2.gz OYIKZWHVHTUNMV-ZIAGYGMSSA-N 1 3 333.436 0.375 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001027218173 743197098 /nfs/dbraw/zinc/19/70/98/743197098.db2.gz ZCGAAAWBWSNKLM-CVEARBPZSA-N 1 3 336.480 0.437 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1)[NH+]1CCCC1 ZINC001027236202 743253388 /nfs/dbraw/zinc/25/33/88/743253388.db2.gz JCRLKRUXQAMVNW-DOTOQJQBSA-N 1 3 348.495 0.874 20 0 ECADHO CNC(=O)C[NH+]1CCC([C@@H](C)NC(=O)c2ccn3cncc3c2)CC1 ZINC000997204626 743349791 /nfs/dbraw/zinc/34/97/91/743349791.db2.gz CKBGZICHCAZRFO-CYBMUJFWSA-N 1 3 343.431 0.911 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001020589065 751852954 /nfs/dbraw/zinc/85/29/54/751852954.db2.gz VUZZOSANRPFYAY-KBRIMQKVSA-N 1 3 344.459 0.864 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc1=O ZINC001020590433 751855677 /nfs/dbraw/zinc/85/56/77/751855677.db2.gz WKQFBBNGBVGYTP-PWNZVWSESA-N 1 3 349.431 0.583 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1=O ZINC001020590433 751855684 /nfs/dbraw/zinc/85/56/84/751855684.db2.gz WKQFBBNGBVGYTP-PWNZVWSESA-N 1 3 349.431 0.583 20 0 ECADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000997854441 743852895 /nfs/dbraw/zinc/85/28/95/743852895.db2.gz DNKSGRFVODGQEF-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CCn1cc(CNCC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nn1 ZINC000998081313 743966568 /nfs/dbraw/zinc/96/65/68/743966568.db2.gz ISOKAYQXLJFPBE-HNNXBMFYSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNCC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)nn1 ZINC000998081313 743966569 /nfs/dbraw/zinc/96/65/69/743966569.db2.gz ISOKAYQXLJFPBE-HNNXBMFYSA-N 1 3 348.495 0.968 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1)C1CC1 ZINC000982295784 751897609 /nfs/dbraw/zinc/89/76/09/751897609.db2.gz FEZSLWRTMUMLLC-OHQAAIJDSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1)C1CC1 ZINC000982295784 751897619 /nfs/dbraw/zinc/89/76/19/751897619.db2.gz FEZSLWRTMUMLLC-OHQAAIJDSA-N 1 3 348.491 0.386 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000976697336 744242792 /nfs/dbraw/zinc/24/27/92/744242792.db2.gz PCGTZEFBCIMPCJ-RRFJBIMHSA-N 1 3 347.463 0.756 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976697336 744242796 /nfs/dbraw/zinc/24/27/96/744242796.db2.gz PCGTZEFBCIMPCJ-RRFJBIMHSA-N 1 3 347.463 0.756 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)CCn3cncn3)C2)CC[N@@H+]1C ZINC001027419490 744286616 /nfs/dbraw/zinc/28/66/16/744286616.db2.gz RDLBLDRMEVEARX-YESZJQIVSA-N 1 3 348.495 0.931 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)CCn3cncn3)C2)CC[N@H+]1C ZINC001027419490 744286620 /nfs/dbraw/zinc/28/66/20/744286620.db2.gz RDLBLDRMEVEARX-YESZJQIVSA-N 1 3 348.495 0.931 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)CC[N@@H+]1C ZINC000998794207 744344456 /nfs/dbraw/zinc/34/44/56/744344456.db2.gz NKWOGODCYHUEAU-FPCDFSMTSA-N 1 3 334.468 0.624 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)CC[N@H+]1C ZINC000998794207 744344459 /nfs/dbraw/zinc/34/44/59/744344459.db2.gz NKWOGODCYHUEAU-FPCDFSMTSA-N 1 3 334.468 0.624 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1)C1CC1 ZINC001027443753 744461870 /nfs/dbraw/zinc/46/18/70/744461870.db2.gz NKMALCKNNZICRF-JKSUJKDBSA-N 1 3 334.468 0.541 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1)C1CC1 ZINC001027443753 744461872 /nfs/dbraw/zinc/46/18/72/744461872.db2.gz NKMALCKNNZICRF-JKSUJKDBSA-N 1 3 334.468 0.541 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]C[C@H]3CCc4ncnn43)C2)CCC1 ZINC000999355316 744648506 /nfs/dbraw/zinc/64/85/06/744648506.db2.gz UJOGDWJJUMSGRW-LSDHHAIUSA-N 1 3 346.479 0.830 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC000999833680 744928421 /nfs/dbraw/zinc/92/84/21/744928421.db2.gz PABPUITYVHLKQS-QQFBHYJXSA-N 1 3 336.480 0.578 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000999877430 744985635 /nfs/dbraw/zinc/98/56/35/744985635.db2.gz NZYSVQLGTWECOM-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000999877430 744985637 /nfs/dbraw/zinc/98/56/37/744985637.db2.gz NZYSVQLGTWECOM-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000999880344 744992170 /nfs/dbraw/zinc/99/21/70/744992170.db2.gz ZTNMFDQFGBCQDZ-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000999880344 744992173 /nfs/dbraw/zinc/99/21/73/744992173.db2.gz ZTNMFDQFGBCQDZ-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000999890057 745014914 /nfs/dbraw/zinc/01/49/14/745014914.db2.gz XIXCCFYLSOHNBJ-UKRRQHHQSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000999890057 745014922 /nfs/dbraw/zinc/01/49/22/745014922.db2.gz XIXCCFYLSOHNBJ-UKRRQHHQSA-N 1 3 336.480 0.243 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)on1 ZINC000983714938 745090123 /nfs/dbraw/zinc/09/01/23/745090123.db2.gz DEHJRYSHYWLHAO-ANQUJSFKSA-N 1 3 348.447 0.831 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)on1 ZINC000983714938 745090131 /nfs/dbraw/zinc/09/01/31/745090131.db2.gz DEHJRYSHYWLHAO-ANQUJSFKSA-N 1 3 348.447 0.831 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029164801 745189154 /nfs/dbraw/zinc/18/91/54/745189154.db2.gz QOCLACLNZLTTCI-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001029164801 745189159 /nfs/dbraw/zinc/18/91/59/745189159.db2.gz QOCLACLNZLTTCI-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535782 745212465 /nfs/dbraw/zinc/21/24/65/745212465.db2.gz AFAKMANKUVPSJJ-GUYCJALGSA-N 1 3 333.436 0.307 20 0 ECADHO C[C@H]([NH2+][C@H]1CCCNC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029174602 745220339 /nfs/dbraw/zinc/22/03/39/745220339.db2.gz ZIPGXALOURTMEJ-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535987 745297349 /nfs/dbraw/zinc/29/73/49/745297349.db2.gz LCCXQLDFYCJEGZ-LXZKKBNFSA-N 1 3 336.436 0.178 20 0 ECADHO CN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001000198995 745336155 /nfs/dbraw/zinc/33/61/55/745336155.db2.gz MQPXMLJCIDZZCB-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001000198997 745336197 /nfs/dbraw/zinc/33/61/97/745336197.db2.gz MQPXMLJCIDZZCB-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(N)=O)N1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000333365 745433711 /nfs/dbraw/zinc/43/37/11/745433711.db2.gz OIOXKJLLBGRXMC-UKRRQHHQSA-N 1 3 336.480 0.563 20 0 ECADHO CC[C@H](C(N)=O)N1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000333365 745433713 /nfs/dbraw/zinc/43/37/13/745433713.db2.gz OIOXKJLLBGRXMC-UKRRQHHQSA-N 1 3 336.480 0.563 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)cc1 ZINC001000467583 745523163 /nfs/dbraw/zinc/52/31/63/745523163.db2.gz RSAAIBLPUWAWHZ-IRXDYDNUSA-N 1 3 344.459 0.831 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001000533803 745572213 /nfs/dbraw/zinc/57/22/13/745572213.db2.gz TUMZPYQYRVCODP-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001000660272 745676383 /nfs/dbraw/zinc/67/63/83/745676383.db2.gz QQUMQSWUYSRXKA-IAGOWNOFSA-N 1 3 348.491 0.578 20 0 ECADHO CC(C)N1CC[C@@H](N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000713256 745716228 /nfs/dbraw/zinc/71/62/28/745716228.db2.gz WIKMEYNPONIQLB-JKSUJKDBSA-N 1 3 348.491 0.672 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H](NCc3ccns3)C2)cn1 ZINC001020720613 752029010 /nfs/dbraw/zinc/02/90/10/752029010.db2.gz FIKIPIUHKRYALY-HDJSIYSDSA-N 1 3 348.476 0.952 20 0 ECADHO CO[C@@H](C)CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574580 752041899 /nfs/dbraw/zinc/04/18/99/752041899.db2.gz CXUVWYDDYBGVAU-ZNMIVQPWSA-N 1 3 337.468 0.672 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CCn1cncn1 ZINC001087578332 746088264 /nfs/dbraw/zinc/08/82/64/746088264.db2.gz OIFXOUAJGZBFKU-LVQVYYBASA-N 1 3 334.468 0.587 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CCn1cncn1 ZINC001087578332 746088271 /nfs/dbraw/zinc/08/82/71/746088271.db2.gz OIFXOUAJGZBFKU-LVQVYYBASA-N 1 3 334.468 0.587 20 0 ECADHO COCCN1CC=C(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001253148 746212102 /nfs/dbraw/zinc/21/21/02/746212102.db2.gz RFTUGCDXNJDDFF-UHFFFAOYSA-N 1 3 335.452 0.453 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978394547 746275026 /nfs/dbraw/zinc/27/50/26/746275026.db2.gz DGSXZXLQEXMNMC-APIJFGDWSA-N 1 3 334.464 0.173 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001020752521 752086128 /nfs/dbraw/zinc/08/61/28/752086128.db2.gz GQPMSNZHZNGKCR-WKILWMFISA-N 1 3 342.447 0.927 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN([C@@H](CC)C(N)=O)CC1 ZINC001001465420 746406651 /nfs/dbraw/zinc/40/66/51/746406651.db2.gz AHYJVCRQWCAHIT-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CCN([C@@H](CC)C(N)=O)CC1 ZINC001001465420 746406656 /nfs/dbraw/zinc/40/66/56/746406656.db2.gz AHYJVCRQWCAHIT-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCN2CCCC2=O)CC1 ZINC000985332303 747717107 /nfs/dbraw/zinc/71/71/07/747717107.db2.gz LSYWIYXGPRAJOU-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCN2CCCC2=O)CC1 ZINC000985332303 747717110 /nfs/dbraw/zinc/71/71/10/747717110.db2.gz LSYWIYXGPRAJOU-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC000979405742 747752766 /nfs/dbraw/zinc/75/27/66/747752766.db2.gz NZABMDYSWLDTPP-CJNGLKHVSA-N 1 3 336.436 0.584 20 0 ECADHO O=C(CN1CCCC1)N1CCC(CO[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001088240872 747940961 /nfs/dbraw/zinc/94/09/61/747940961.db2.gz KZPUIMHAWMWASY-QGZVFWFLSA-N 1 3 339.480 0.404 20 0 ECADHO O=C(CN1CCCC1)N1CCC(CO[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001088240872 747940967 /nfs/dbraw/zinc/94/09/67/747940967.db2.gz KZPUIMHAWMWASY-QGZVFWFLSA-N 1 3 339.480 0.404 20 0 ECADHO C[N@H+](CCF)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985542842 748438613 /nfs/dbraw/zinc/43/86/13/748438613.db2.gz CXHZSXBETLGBMC-GULBITTBSA-N 1 3 325.428 0.742 20 0 ECADHO C[N@@H+](CCF)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985542842 748438614 /nfs/dbraw/zinc/43/86/14/748438614.db2.gz CXHZSXBETLGBMC-GULBITTBSA-N 1 3 325.428 0.742 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000979874609 748578940 /nfs/dbraw/zinc/57/89/40/748578940.db2.gz QKTQIZMUAGCLFL-KBUPBQIOSA-N 1 3 347.463 0.612 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000979874609 748578944 /nfs/dbraw/zinc/57/89/44/748578944.db2.gz QKTQIZMUAGCLFL-KBUPBQIOSA-N 1 3 347.463 0.612 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088325325 748727017 /nfs/dbraw/zinc/72/70/17/748727017.db2.gz NQWBMDJFPUKHRW-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088325325 748727022 /nfs/dbraw/zinc/72/70/22/748727022.db2.gz NQWBMDJFPUKHRW-CVEARBPZSA-N 1 3 338.496 0.810 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003633907 748747288 /nfs/dbraw/zinc/74/72/88/748747288.db2.gz IRPJQEJSPOWLGC-GUYCJALGSA-N 1 3 348.495 0.673 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003633907 748747294 /nfs/dbraw/zinc/74/72/94/748747294.db2.gz IRPJQEJSPOWLGC-GUYCJALGSA-N 1 3 348.495 0.673 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC1 ZINC001003744725 748853364 /nfs/dbraw/zinc/85/33/64/748853364.db2.gz AOZHVSGZQVFPTR-OAGGEKHMSA-N 1 3 345.447 0.542 20 0 ECADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985686448 748865141 /nfs/dbraw/zinc/86/51/41/748865141.db2.gz LNEDCBVENGIRNE-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001088384080 748997460 /nfs/dbraw/zinc/99/74/60/748997460.db2.gz VVRGTXYLFPEJLR-HOTGVXAUSA-N 1 3 336.484 0.979 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC001004140943 749250314 /nfs/dbraw/zinc/25/03/14/749250314.db2.gz ARRBVARRJCPWEC-MRXNPFEDSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC001004140943 749250319 /nfs/dbraw/zinc/25/03/19/749250319.db2.gz ARRBVARRJCPWEC-MRXNPFEDSA-N 1 3 344.459 0.818 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC001059678051 749387097 /nfs/dbraw/zinc/38/70/97/749387097.db2.gz NSWHPALYHUAFGI-HOTGVXAUSA-N 1 3 336.480 0.389 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC001059678051 749387103 /nfs/dbraw/zinc/38/71/03/749387103.db2.gz NSWHPALYHUAFGI-HOTGVXAUSA-N 1 3 336.480 0.389 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001004455489 749520795 /nfs/dbraw/zinc/52/07/95/749520795.db2.gz KHCJBKVKXCSPCD-HIFRSBDPSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001004455489 749520797 /nfs/dbraw/zinc/52/07/97/749520797.db2.gz KHCJBKVKXCSPCD-HIFRSBDPSA-N 1 3 336.480 0.243 20 0 ECADHO CN1CCC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029905100 749537834 /nfs/dbraw/zinc/53/78/34/749537834.db2.gz HSHGANFLMDDPAX-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029905100 749537837 /nfs/dbraw/zinc/53/78/37/749537837.db2.gz HSHGANFLMDDPAX-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1C[C@H](CNCc2cn(C)nn2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766625 750119487 /nfs/dbraw/zinc/11/94/87/750119487.db2.gz DWAGUPXJECXCEP-ZIAGYGMSSA-N 1 3 332.452 0.238 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001005182606 750338062 /nfs/dbraw/zinc/33/80/62/750338062.db2.gz DTQKNVXHHOFKIN-HZPDHXFCSA-N 1 3 346.479 0.782 20 0 ECADHO CCn1cc(CC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)cn1 ZINC000987070026 750437775 /nfs/dbraw/zinc/43/77/75/750437775.db2.gz RQSPGLZWKUAQQJ-CZUORRHYSA-N 1 3 330.436 0.990 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1=O ZINC001075886158 750484690 /nfs/dbraw/zinc/48/46/90/750484690.db2.gz FXUMIFOTMDWRGZ-USXIJHARSA-N 1 3 348.491 0.624 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1=O ZINC001075886158 750484693 /nfs/dbraw/zinc/48/46/93/750484693.db2.gz FXUMIFOTMDWRGZ-USXIJHARSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987275054 750684359 /nfs/dbraw/zinc/68/43/59/750684359.db2.gz BKYVXJHANBPSBX-YOEHRIQHSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005995627 750902629 /nfs/dbraw/zinc/90/26/29/750902629.db2.gz IMCSSCKBINDXBX-HNNXBMFYSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005995627 750902634 /nfs/dbraw/zinc/90/26/34/750902634.db2.gz IMCSSCKBINDXBX-HNNXBMFYSA-N 1 3 334.468 0.685 20 0 ECADHO Cn1cc(CC[N@H+]2CCCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)cn1 ZINC000981666265 750934000 /nfs/dbraw/zinc/93/40/00/750934000.db2.gz NSIFLIGOCVMEKU-QGZVFWFLSA-N 1 3 345.491 0.981 20 0 ECADHO Cn1cc(CC[N@@H+]2CCCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)cn1 ZINC000981666265 750934003 /nfs/dbraw/zinc/93/40/03/750934003.db2.gz NSIFLIGOCVMEKU-QGZVFWFLSA-N 1 3 345.491 0.981 20 0 ECADHO COc1ccnc(CN[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001020934664 752359663 /nfs/dbraw/zinc/35/96/63/752359663.db2.gz XJMQSYDZMAGVLP-HDJSIYSDSA-N 1 3 330.432 0.923 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)CN1C(=O)CN(C)C1CCC1 ZINC000988954923 753072860 /nfs/dbraw/zinc/07/28/60/753072860.db2.gz IJSCMPXGXJJXOH-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001030019450 753278768 /nfs/dbraw/zinc/27/87/68/753278768.db2.gz GHVWTXXDIYQMSB-QLFBSQMISA-N 1 3 345.509 0.342 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H]1C ZINC000989193334 753452522 /nfs/dbraw/zinc/45/25/22/753452522.db2.gz MCPFVZMQCRZURX-TUVASFSCSA-N 1 3 347.463 0.706 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H]1C ZINC000989193334 753452526 /nfs/dbraw/zinc/45/25/26/753452526.db2.gz MCPFVZMQCRZURX-TUVASFSCSA-N 1 3 347.463 0.706 20 0 ECADHO CC[C@@H](C)CNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372484 753677355 /nfs/dbraw/zinc/67/73/55/753677355.db2.gz JRBZDLJXBJQGDR-KGLIPLIRSA-N 1 3 334.468 0.749 20 0 ECADHO CC[C@@H](C)CNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372484 753677356 /nfs/dbraw/zinc/67/73/56/753677356.db2.gz JRBZDLJXBJQGDR-KGLIPLIRSA-N 1 3 334.468 0.749 20 0 ECADHO CNC(=O)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566449 753844488 /nfs/dbraw/zinc/84/44/88/753844488.db2.gz MFRYWBLBXZQRBQ-HNNXBMFYSA-N 1 3 347.463 0.839 20 0 ECADHO CN1CC[C@H](N2CC[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001028624618 753966225 /nfs/dbraw/zinc/96/62/25/753966225.db2.gz DCOLQXAEIAHMEP-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1 ZINC000990275992 754930406 /nfs/dbraw/zinc/93/04/06/754930406.db2.gz GMLWMMREJISKSD-HNNXBMFYSA-N 1 3 333.436 0.660 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000983304382 755111400 /nfs/dbraw/zinc/11/14/00/755111400.db2.gz OTFCULJZGFJTLV-CVEARBPZSA-N 1 3 348.491 0.389 20 0 ECADHO C[C@@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)CN1C(=O)CN1CCCC1 ZINC001010180732 755770166 /nfs/dbraw/zinc/77/01/66/755770166.db2.gz XBVDBFAZJPGSBI-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1 ZINC001051612400 762468421 /nfs/dbraw/zinc/46/84/21/762468421.db2.gz RKHOSZTXXOYOGS-IAGOWNOFSA-N 1 3 349.479 0.610 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1 ZINC001051612400 762468423 /nfs/dbraw/zinc/46/84/23/762468423.db2.gz RKHOSZTXXOYOGS-IAGOWNOFSA-N 1 3 349.479 0.610 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1)[NH+](C)C ZINC001048875650 757258160 /nfs/dbraw/zinc/25/81/60/757258160.db2.gz GQECUFOBIDVZCS-BBWFWOEESA-N 1 3 333.480 0.897 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000996343989 757357288 /nfs/dbraw/zinc/35/72/88/757357288.db2.gz QNRHATJXUWCBQZ-CQSZACIVSA-N 1 3 334.464 0.426 20 0 ECADHO CC1CCN(CC(=O)N2CC(NC(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC000996340019 757411679 /nfs/dbraw/zinc/41/16/79/757411679.db2.gz JJPARVXEINFMKO-UHFFFAOYSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)C(=O)CN1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048974834 757570739 /nfs/dbraw/zinc/57/07/39/757570739.db2.gz GQSIDGVXIXPNFJ-GASCZTMLSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001076925732 757641755 /nfs/dbraw/zinc/64/17/55/757641755.db2.gz WUBSNKLARLVGLP-LSDHHAIUSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001076925732 757641759 /nfs/dbraw/zinc/64/17/59/757641759.db2.gz WUBSNKLARLVGLP-LSDHHAIUSA-N 1 3 326.485 0.822 20 0 ECADHO CC1(C)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1NCC(N)=O ZINC000996503337 757806764 /nfs/dbraw/zinc/80/67/64/757806764.db2.gz UOOKIWQKJAMBDR-OAHLLOKOSA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(Cc3cncn3C)C[C@H]2C1 ZINC001049058091 757812817 /nfs/dbraw/zinc/81/28/17/757812817.db2.gz VYWPXTZHPHCZRY-OAGGEKHMSA-N 1 3 331.464 0.795 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(Cc3cncn3C)C[C@H]2C1 ZINC001049058091 757812829 /nfs/dbraw/zinc/81/28/29/757812829.db2.gz VYWPXTZHPHCZRY-OAGGEKHMSA-N 1 3 331.464 0.795 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC001021701815 757820767 /nfs/dbraw/zinc/82/07/67/757820767.db2.gz FIFDWZRNVGTFQZ-HRCADAONSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC001021701815 757820780 /nfs/dbraw/zinc/82/07/80/757820780.db2.gz FIFDWZRNVGTFQZ-HRCADAONSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(CC(=O)N(C)C3CC3)C[C@H]2C1 ZINC001049060008 757828322 /nfs/dbraw/zinc/82/83/22/757828322.db2.gz 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CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C)N(C)C ZINC001077151149 758353267 /nfs/dbraw/zinc/35/32/67/758353267.db2.gz GMBXNONHBPKRST-CFVMTHIKSA-N 1 3 326.485 0.678 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1)N(C)C ZINC000996698505 758511244 /nfs/dbraw/zinc/51/12/44/758511244.db2.gz WQYIUZOLODACRN-WBVHZDCISA-N 1 3 348.495 0.932 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001022716047 759031237 /nfs/dbraw/zinc/03/12/37/759031237.db2.gz QHEZZPSJDDZAAU-BMFZPTHFSA-N 1 3 332.448 0.464 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001022838751 759158888 /nfs/dbraw/zinc/15/88/88/759158888.db2.gz ZAEPFRTUPHVQOD-IYBDPMFKSA-N 1 3 346.435 0.792 20 0 ECADHO C[C@@H](NCc1nncn1C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047958921 759749000 /nfs/dbraw/zinc/74/90/00/759749000.db2.gz IVOWAYWPBGWFQI-HIFRSBDPSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H](NCc1nncn1C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047987505 759778594 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20 0 ECADHO Cn1ncnc1CNC[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001050386527 760214192 /nfs/dbraw/zinc/21/41/92/760214192.db2.gz QOTNOKWCEJVJPA-JYJNAYRXSA-N 1 3 348.495 0.922 20 0 ECADHO CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CCCN4C)C3)CC2)C1=O ZINC001050462081 760304926 /nfs/dbraw/zinc/30/49/26/760304926.db2.gz PGYQQOIIIBCRMS-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048570824 760732416 /nfs/dbraw/zinc/73/24/16/760732416.db2.gz WZIQQSUJMFBGMQ-NQNKBUKLSA-N 1 3 348.491 0.848 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048570824 760732421 /nfs/dbraw/zinc/73/24/21/760732421.db2.gz WZIQQSUJMFBGMQ-NQNKBUKLSA-N 1 3 348.491 0.848 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001050732070 760749621 /nfs/dbraw/zinc/74/96/21/760749621.db2.gz CUALIXBXQFVCJP-AWEZNQCLSA-N 1 3 334.464 0.271 20 0 ECADHO Cn1cc(CN2CCC3(CN(C(=O)C45CC[NH+](CC4)C5)C3)CC2)cn1 ZINC001050732037 760750091 /nfs/dbraw/zinc/75/00/91/760750091.db2.gz AXWMMSWEFBINQT-UHFFFAOYSA-N 1 3 343.475 0.940 20 0 ECADHO CN1CC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)CC2)C1=O ZINC001050753357 760779064 /nfs/dbraw/zinc/77/90/64/760779064.db2.gz JNTPSWCFVHYABB-CABCVRRESA-N 1 3 334.464 0.093 20 0 ECADHO CN1CC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)CC2)C1=O ZINC001050753357 760779069 /nfs/dbraw/zinc/77/90/69/760779069.db2.gz JNTPSWCFVHYABB-CABCVRRESA-N 1 3 334.464 0.093 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050754245 760782430 /nfs/dbraw/zinc/78/24/30/760782430.db2.gz SIHCBMQXYIBCQY-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050754245 760782436 /nfs/dbraw/zinc/78/24/36/760782436.db2.gz SIHCBMQXYIBCQY-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000991440718 760956616 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769655614 /nfs/dbraw/zinc/65/56/14/769655614.db2.gz SBTRGDBAHSFTKR-HZPDHXFCSA-N 1 3 338.496 0.774 20 0 ECADHO CC1CCN(C(=O)C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001018628542 769680021 /nfs/dbraw/zinc/68/00/21/769680021.db2.gz NELZRIHOWZYGBO-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000993961985 769900073 /nfs/dbraw/zinc/90/00/73/769900073.db2.gz VQRRUGRXRFXMRJ-QGZVFWFLSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000993961985 769900082 /nfs/dbraw/zinc/90/00/82/769900082.db2.gz VQRRUGRXRFXMRJ-QGZVFWFLSA-N 1 3 348.491 0.816 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001018880637 770181582 /nfs/dbraw/zinc/18/15/82/770181582.db2.gz UTZHIHGTCWJKBO-CVEARBPZSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)C1CCC1 ZINC001018972704 770437378 /nfs/dbraw/zinc/43/73/78/770437378.db2.gz KRHPYSROCPRLFJ-CABCVRRESA-N 1 3 336.480 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Cn1cc(CN[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC001019574436 771514406 /nfs/dbraw/zinc/51/44/06/771514406.db2.gz CJKMRVYBCHFUCP-HNNXBMFYSA-N 1 3 335.452 0.221 20 0 ECADHO C[NH+]1CCC(OCC(=O)N2CC[C@H](NCc3cncs3)C2)CC1 ZINC001019576242 771518624 /nfs/dbraw/zinc/51/86/24/771518624.db2.gz MFCRFLLKSNZHEW-ZDUSSCGKSA-N 1 3 338.477 0.944 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@H]3CCN(C)C3=O)C2)CC1 ZINC001019593284 771561032 /nfs/dbraw/zinc/56/10/32/771561032.db2.gz SMAMYFYRCVPHKT-HOTGVXAUSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CC[C@H](N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001019661404 771684689 /nfs/dbraw/zinc/68/46/89/771684689.db2.gz ZSBSGUORQXFIIG-GJZGRUSLSA-N 1 3 334.464 0.282 20 0 ECADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)CN3CCOCC3)C2)on1 ZINC001019779009 771788618 /nfs/dbraw/zinc/78/86/18/771788618.db2.gz HRSWWFUFVGWQMB-HIFRSBDPSA-N 1 3 336.436 0.642 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001020144269 772212820 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Cc1ncoc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020406971 772551244 /nfs/dbraw/zinc/55/12/44/772551244.db2.gz IASQRGWGRVPGDE-LRJYCPHFSA-N 1 3 346.431 0.583 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749678 774576172 /nfs/dbraw/zinc/57/61/72/774576172.db2.gz KMJBVTZHZMMCFC-HIFRSBDPSA-N 1 3 330.436 0.898 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044757027 774583657 /nfs/dbraw/zinc/58/36/57/774583657.db2.gz SQIIAHWDLWSEOB-QWHCGFSZSA-N 1 3 347.419 0.070 20 0 ECADHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CCC(C)(C)C2)C1=O ZINC001045202786 775133316 /nfs/dbraw/zinc/13/33/16/775133316.db2.gz WVIZZMPTRJRUKC-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H](N2CCC(C)(NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001045621932 775905785 /nfs/dbraw/zinc/90/57/85/775905785.db2.gz VYYIALYENAFNBW-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO Cc1nc(C)n(CCN2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001045639236 775945932 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777530507 /nfs/dbraw/zinc/53/05/07/777530507.db2.gz GPCGGECISHETQY-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001078500957 780028362 /nfs/dbraw/zinc/02/83/62/780028362.db2.gz SXZGYGSOZTUXOX-ZNMIVQPWSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001078500957 780028364 /nfs/dbraw/zinc/02/83/64/780028364.db2.gz SXZGYGSOZTUXOX-ZNMIVQPWSA-N 1 3 326.485 0.679 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCc3cncs3)C2)C1 ZINC001078507707 780043830 /nfs/dbraw/zinc/04/38/30/780043830.db2.gz GBKCKZGWCMTFGZ-UONOGXRCSA-N 1 3 338.477 0.802 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCc3cncs3)C2)C1 ZINC001078507707 780043839 /nfs/dbraw/zinc/04/38/39/780043839.db2.gz GBKCKZGWCMTFGZ-UONOGXRCSA-N 1 3 338.477 0.802 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001077665140 781458784 /nfs/dbraw/zinc/45/87/84/781458784.db2.gz GAMDDQCWVUAPMI-XJKSGUPXSA-N 1 3 326.485 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ZINC001071016856 784427832 /nfs/dbraw/zinc/42/78/32/784427832.db2.gz VDHOONYLOCJASU-OAHLLOKOSA-N 1 3 342.484 0.012 20 0 ECADHO CN(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001071017846 784430844 /nfs/dbraw/zinc/43/08/44/784430844.db2.gz PHZVOUDVDQMLOF-CVEARBPZSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001071017955 784431024 /nfs/dbraw/zinc/43/10/24/784431024.db2.gz UDOIECRGTWQJDH-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001071019141 784435029 /nfs/dbraw/zinc/43/50/29/784435029.db2.gz VSCQLTFLCKACIH-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001071020109 784437158 /nfs/dbraw/zinc/43/71/58/784437158.db2.gz QGEVRARGXFSNGA-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001071020109 784437163 /nfs/dbraw/zinc/43/71/63/784437163.db2.gz QGEVRARGXFSNGA-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070721574 784595849 /nfs/dbraw/zinc/59/58/49/784595849.db2.gz VHSCDIXZLADQAQ-BZUAXINKSA-N 1 3 349.479 0.171 20 0 ECADHO COCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN(C)C1CCC1)C[C@H](C)O2 ZINC001071175116 784662877 /nfs/dbraw/zinc/66/28/77/784662877.db2.gz AUFDEMLGYHZYDR-MAUKXSAKSA-N 1 3 339.480 0.809 20 0 ECADHO COCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CN(C)C1CCC1)C[C@H](C)O2 ZINC001071175116 784662880 /nfs/dbraw/zinc/66/28/80/784662880.db2.gz AUFDEMLGYHZYDR-MAUKXSAKSA-N 1 3 339.480 0.809 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001070766328 784670505 /nfs/dbraw/zinc/67/05/05/784670505.db2.gz UHCLYIDFAYQWPS-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001070766328 784670512 /nfs/dbraw/zinc/67/05/12/784670512.db2.gz UHCLYIDFAYQWPS-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CN1CCCO ZINC001071890998 785278997 /nfs/dbraw/zinc/27/89/97/785278997.db2.gz VLRJOQRCODUWDZ-ZBFHGGJFSA-N 1 3 337.468 0.410 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001072150662 785749782 /nfs/dbraw/zinc/74/97/82/785749782.db2.gz UEOKHQWNMYRGPS-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001072286538 785978871 /nfs/dbraw/zinc/97/88/71/785978871.db2.gz LPGRNICTYFTJLF-GJZGRUSLSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001074198055 786428532 /nfs/dbraw/zinc/42/85/32/786428532.db2.gz JHFXBVBAYYBSPI-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599322 786741464 /nfs/dbraw/zinc/74/14/64/786741464.db2.gz BBGLXGDAXKQEDF-HOTGVXAUSA-N 1 3 327.469 0.713 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599322 786741472 /nfs/dbraw/zinc/74/14/72/786741472.db2.gz BBGLXGDAXKQEDF-HOTGVXAUSA-N 1 3 327.469 0.713 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001073599757 786743022 /nfs/dbraw/zinc/74/30/22/786743022.db2.gz NBBNNJPSXZOSPE-HZPDHXFCSA-N 1 3 327.469 0.449 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073599757 786743028 /nfs/dbraw/zinc/74/30/28/786743028.db2.gz NBBNNJPSXZOSPE-HZPDHXFCSA-N 1 3 327.469 0.449 20 0 ECADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074562803 787264769 /nfs/dbraw/zinc/26/47/69/787264769.db2.gz JFBSQKJBDRWQHZ-JQFCIGGWSA-N 1 3 344.459 0.959 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)n1 ZINC001074562744 787264993 /nfs/dbraw/zinc/26/49/93/787264993.db2.gz FYJRRDXPKCACJS-VBNZEHGJSA-N 1 3 334.468 0.568 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CN(CCCO)CCCO2)cc1 ZINC001073821578 787267111 /nfs/dbraw/zinc/26/71/11/787267111.db2.gz MTIOMSXSIZHWPM-SFHVURJKSA-N 1 3 349.475 0.951 20 0 ECADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001074655029 787516274 /nfs/dbraw/zinc/51/62/74/787516274.db2.gz RWEVPLQOFPYJPW-XKQJLSEDSA-N 1 3 331.464 0.841 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)[C@@H]1C)N(C)C ZINC001074885834 788488002 /nfs/dbraw/zinc/48/80/02/788488002.db2.gz ZLUYWXNFCKEZPU-AJNGGQMLSA-N 1 3 334.468 0.685 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001075031346 788754990 /nfs/dbraw/zinc/75/49/90/788754990.db2.gz FQWBQMYYJLKGKS-CABCVRRESA-N 1 3 326.485 0.774 20 0 ECADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)C1=O ZINC001075044566 788790277 /nfs/dbraw/zinc/79/02/77/788790277.db2.gz YNLVAZPFMFHBLT-KKUMJFAQSA-N 1 3 334.464 0.282 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001075156326 788995977 /nfs/dbraw/zinc/99/59/77/788995977.db2.gz USTGCKYPJOTTEQ-LSDHHAIUSA-N 1 3 326.485 0.774 20 0 ECADHO O=C(CN1CCCC1)N1CCC([C@H]2C[C@H]([NH2+]CCO)CCO2)CC1 ZINC001075396984 789323738 /nfs/dbraw/zinc/32/37/38/789323738.db2.gz GDVTUABAYJFKPE-IAGOWNOFSA-N 1 3 339.480 0.450 20 0 ECADHO CN(CC(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1)C1CCC1 ZINC001073102789 789445513 /nfs/dbraw/zinc/44/55/13/789445513.db2.gz DUVIYEAFDNVNNW-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425872 789822193 /nfs/dbraw/zinc/82/21/93/789822193.db2.gz KKXNTDXJDOYPHC-GJZGRUSLSA-N 1 3 334.464 0.093 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073425872 789822197 /nfs/dbraw/zinc/82/21/97/789822197.db2.gz KKXNTDXJDOYPHC-GJZGRUSLSA-N 1 3 334.464 0.093 20 0 ECADHO Cc1nc(C)n(CCN2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)n1 ZINC001073425702 789823242 /nfs/dbraw/zinc/82/32/42/789823242.db2.gz FNKJSRULQMNOGP-INIZCTEOSA-N 1 3 346.479 0.381 20 0 ECADHO Cc1nc(C)n(CCN2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)n1 ZINC001073425702 789823246 /nfs/dbraw/zinc/82/32/46/789823246.db2.gz FNKJSRULQMNOGP-INIZCTEOSA-N 1 3 346.479 0.381 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001073442705 789847410 /nfs/dbraw/zinc/84/74/10/789847410.db2.gz RHOIWAUYSOWZKL-OAHLLOKOSA-N 1 3 349.479 0.956 20 0 ECADHO CN(CC[NH2+]CCn1cncn1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267429248 837398843 /nfs/dbraw/zinc/39/88/43/837398843.db2.gz UWNZBHGFYUOTRS-INIZCTEOSA-N 1 3 340.447 0.539 20 0 ECADHO Cc1cc(C[NH2+]CCN(C)C(=O)[C@H](C)CN2CCOCC2)ncn1 ZINC001267468842 837481640 /nfs/dbraw/zinc/48/16/40/837481640.db2.gz DJPFBFWRAOTXIJ-CQSZACIVSA-N 1 3 335.452 0.301 20 0 ECADHO CN(CCNCC(=O)N(C)Cc1ccco1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267469301 837482405 /nfs/dbraw/zinc/48/24/05/837482405.db2.gz ILWAIWAZHNDIBF-CQSZACIVSA-N 1 3 336.436 0.238 20 0 ECADHO CN(CCNCC(=O)N(C)Cc1ccco1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267469301 837482413 /nfs/dbraw/zinc/48/24/13/837482413.db2.gz ILWAIWAZHNDIBF-CQSZACIVSA-N 1 3 336.436 0.238 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN2CCOCCO)CC[N@@H+]1C ZINC001266476837 835878405 /nfs/dbraw/zinc/87/84/05/835878405.db2.gz DBPBBMPNXSPLNP-JYJNAYRXSA-N 1 3 327.469 0.306 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN2CCOCCO)CC[N@H+]1C ZINC001266476837 835878410 /nfs/dbraw/zinc/87/84/10/835878410.db2.gz DBPBBMPNXSPLNP-JYJNAYRXSA-N 1 3 327.469 0.306 20 0 ECADHO CCCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001266531117 835947401 /nfs/dbraw/zinc/94/74/01/835947401.db2.gz SLZXOOUCLVIUOA-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)NC1CCCC1)[NH+](C)C ZINC001266732738 836213430 /nfs/dbraw/zinc/21/34/30/836213430.db2.gz LTGXMQOVUMIFIA-INIZCTEOSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266939775 836498003 /nfs/dbraw/zinc/49/80/03/836498003.db2.gz OHSRLOZPWHESRR-OLZOCXBDSA-N 1 3 338.452 0.150 20 0 ECADHO CC(C)NC(=O)NCC[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001266944922 836505097 /nfs/dbraw/zinc/50/50/97/836505097.db2.gz UOWPARPGMGWHOK-ZDUSSCGKSA-N 1 3 327.473 0.273 20 0 ECADHO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267002444 836597589 /nfs/dbraw/zinc/59/75/89/836597589.db2.gz LUVBERMTXRBULE-LSDHHAIUSA-N 1 3 326.485 0.537 20 0 ECADHO CC(C)[C@@H](C(=O)N(C)CCNC(=O)C1(N(C)C)CCC1)[NH+](C)C ZINC001408595676 837158239 /nfs/dbraw/zinc/15/82/39/837158239.db2.gz FHKCXAGMUJWUFV-AWEZNQCLSA-N 1 3 326.485 0.632 20 0 ECADHO CCN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)CN1CCCC1 ZINC001408754339 838270045 /nfs/dbraw/zinc/27/00/45/838270045.db2.gz RRZKEBLFMAPALM-UHFFFAOYSA-N 1 3 338.496 0.923 20 0 ECADHO CCN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCCN1C ZINC001408760363 838312341 /nfs/dbraw/zinc/31/23/41/838312341.db2.gz CLSBPOFTHCGCOI-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCCN1C ZINC001408760363 838312348 /nfs/dbraw/zinc/31/23/48/838312348.db2.gz CLSBPOFTHCGCOI-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCO[C@H]1CC1(F)F ZINC001267964779 838879329 /nfs/dbraw/zinc/87/93/29/838879329.db2.gz GYBROWJIXMNIPB-OLZOCXBDSA-N 1 3 328.363 0.957 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCC1 ZINC000354663092 299089288 /nfs/dbraw/zinc/08/92/88/299089288.db2.gz UTVBAEUGQOFEAR-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354670564 299092101 /nfs/dbraw/zinc/09/21/01/299092101.db2.gz ZHEBDHUGNYBAJT-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354670564 299092104 /nfs/dbraw/zinc/09/21/04/299092104.db2.gz ZHEBDHUGNYBAJT-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+](CC)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103296208 219286067 /nfs/dbraw/zinc/28/60/67/219286067.db2.gz AWIUHJKHQJPHMA-UHFFFAOYSA-N 1 3 339.484 0.278 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C[C@@H]21 ZINC000410954626 283080064 /nfs/dbraw/zinc/08/00/64/283080064.db2.gz PJRDSGWYXVLEFM-WCVJEAGWSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C[C@@H]21 ZINC000410954626 283080066 /nfs/dbraw/zinc/08/00/66/283080066.db2.gz PJRDSGWYXVLEFM-WCVJEAGWSA-N 1 3 334.464 0.092 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420464495 209372238 /nfs/dbraw/zinc/37/22/38/209372238.db2.gz URPSFCFBUQFSCF-ZDUSSCGKSA-N 1 3 329.470 0.077 20 0 ECADHO Cn1ncc2c1ncnc2N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420304357 209350348 /nfs/dbraw/zinc/35/03/48/209350348.db2.gz OHIVDCLKMFSKLI-AWEZNQCLSA-N 1 3 329.452 0.875 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420207794 209341612 /nfs/dbraw/zinc/34/16/12/209341612.db2.gz FRAZJLRJSJIZDT-OAHLLOKOSA-N 1 3 342.484 0.062 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420060544 209294376 /nfs/dbraw/zinc/29/43/76/209294376.db2.gz QQXUAWCQMASMPG-UHFFFAOYSA-N 1 3 326.485 0.810 20 0 ECADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000420059687 209293310 /nfs/dbraw/zinc/29/33/10/209293310.db2.gz PGVSVLXMAZEGEL-MRXNPFEDSA-N 1 3 338.496 0.810 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420050975 209288216 /nfs/dbraw/zinc/28/82/16/209288216.db2.gz GKBVEPBHUBRAFV-UHFFFAOYSA-N 1 3 338.496 0.969 20 0 ECADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000420032022 209283472 /nfs/dbraw/zinc/28/34/72/209283472.db2.gz SVDIILPHLJVCIW-AWEZNQCLSA-N 1 3 342.484 0.047 20 0 ECADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000420032022 209283476 /nfs/dbraw/zinc/28/34/76/209283476.db2.gz SVDIILPHLJVCIW-AWEZNQCLSA-N 1 3 342.484 0.047 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419980791 209268042 /nfs/dbraw/zinc/26/80/42/209268042.db2.gz RIGLVTDYWFXOHR-OAGGEKHMSA-N 1 3 338.496 0.871 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000419967667 209263952 /nfs/dbraw/zinc/26/39/52/209263952.db2.gz BPXONBKFWMQQFM-CABCVRRESA-N 1 3 326.485 0.714 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419959991 209261864 /nfs/dbraw/zinc/26/18/64/209261864.db2.gz DSOKFWXBIIBRET-GOEBONIOSA-N 1 3 338.496 0.858 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419959991 209261867 /nfs/dbraw/zinc/26/18/67/209261867.db2.gz DSOKFWXBIIBRET-GOEBONIOSA-N 1 3 338.496 0.858 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000419954329 209259899 /nfs/dbraw/zinc/25/98/99/209259899.db2.gz MDBOFLHOABSZHM-HUUCEWRRSA-N 1 3 342.484 0.045 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC[C@@H]21 ZINC000419925442 209250540 /nfs/dbraw/zinc/25/05/40/209250540.db2.gz IRGWWDQBKUIZAC-ZACQAIPSSA-N 1 3 344.459 0.745 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC[C@@H]21 ZINC000419925442 209250542 /nfs/dbraw/zinc/25/05/42/209250542.db2.gz IRGWWDQBKUIZAC-ZACQAIPSSA-N 1 3 344.459 0.745 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419906908 209245692 /nfs/dbraw/zinc/24/56/92/209245692.db2.gz AWPVDGSGQCJJPZ-IKGGRYGDSA-N 1 3 344.459 0.888 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000419778274 209202738 /nfs/dbraw/zinc/20/27/38/209202738.db2.gz OMMWFWAPOPSHDE-CABCVRRESA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H]1C[NH3+] ZINC000419768320 209201755 /nfs/dbraw/zinc/20/17/55/209201755.db2.gz CJDPCLBOQOROEE-ILXRZTDVSA-N 1 3 338.496 0.666 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236839553 242378589 /nfs/dbraw/zinc/37/85/89/242378589.db2.gz QMDQPCORHGXKAN-CQSZACIVSA-N 1 3 342.509 0.094 20 0 ECADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262514161 245012482 /nfs/dbraw/zinc/01/24/82/245012482.db2.gz MQASVAOWMBFFMF-ZWKOTPCHSA-N 1 3 344.459 0.880 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1 ZINC000262554611 245030068 /nfs/dbraw/zinc/03/00/68/245030068.db2.gz UOHIGWZTMLISEE-HZPDHXFCSA-N 1 3 348.447 0.420 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)C1 ZINC000419699739 209177407 /nfs/dbraw/zinc/17/74/07/209177407.db2.gz RNHQDXGSKJDIEM-JKSUJKDBSA-N 1 3 338.496 0.681 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(C4CCCC4)C3)C[C@H]12 ZINC000419697216 209175162 /nfs/dbraw/zinc/17/51/62/209175162.db2.gz QJHXFRFTRMOEIS-LUYZLQTOSA-N 1 3 334.464 0.315 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000419664700 209162227 /nfs/dbraw/zinc/16/22/27/209162227.db2.gz MULHIBJARQOTIX-INIZCTEOSA-N 1 3 347.463 0.514 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000419656733 209160458 /nfs/dbraw/zinc/16/04/58/209160458.db2.gz IQZHYJYSONFKTF-UAGQMJEPSA-N 1 3 344.459 0.715 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH3+])CCN1Cc1ccccc1 ZINC000419656106 209160133 /nfs/dbraw/zinc/16/01/33/209160133.db2.gz IAYARPNDXPYIKD-GOEBONIOSA-N 1 3 332.448 0.621 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419590372 209134860 /nfs/dbraw/zinc/13/48/60/209134860.db2.gz QFAXSICFKQIDGY-HOTGVXAUSA-N 1 3 332.448 0.793 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419585097 209133515 /nfs/dbraw/zinc/13/35/15/209133515.db2.gz LFSDXZMXLUYQSM-MCIONIFRSA-N 1 3 340.468 0.206 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419585097 209133519 /nfs/dbraw/zinc/13/35/19/209133519.db2.gz LFSDXZMXLUYQSM-MCIONIFRSA-N 1 3 340.468 0.206 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)C1CCCC1 ZINC000419538723 209120357 /nfs/dbraw/zinc/12/03/57/209120357.db2.gz XLYPMSHVWOUGPZ-UYSNPLJNSA-N 1 3 336.480 0.753 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419528994 209117218 /nfs/dbraw/zinc/11/72/18/209117218.db2.gz XGMOLHYMNMZBJB-ZBFHGGJFSA-N 1 3 338.496 0.824 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419524166 209115336 /nfs/dbraw/zinc/11/53/36/209115336.db2.gz PLVZJYBCOKCNMS-BHYGNILZSA-N 1 3 346.475 0.786 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419524166 209115338 /nfs/dbraw/zinc/11/53/38/209115338.db2.gz PLVZJYBCOKCNMS-BHYGNILZSA-N 1 3 346.475 0.786 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000419519431 209114615 /nfs/dbraw/zinc/11/46/15/209114615.db2.gz FWYMFMWTDCYBMM-NRXISQOPSA-N 1 3 326.485 0.713 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)CC(C)C)C[C@H]1C ZINC000419945980 209256937 /nfs/dbraw/zinc/25/69/37/209256937.db2.gz ADVAZHXDPJLKJZ-ILXRZTDVSA-N 1 3 326.485 0.807 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)CC(C)C)C[C@H]1C ZINC000419945980 209256943 /nfs/dbraw/zinc/25/69/43/209256943.db2.gz ADVAZHXDPJLKJZ-ILXRZTDVSA-N 1 3 326.485 0.807 20 0 ECADHO COC(=O)[C@@](C)(C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415093650 291657130 /nfs/dbraw/zinc/65/71/30/291657130.db2.gz CMJRUPQFQNIFAN-KXBFYZLASA-N 1 3 347.459 0.904 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000418920242 284703160 /nfs/dbraw/zinc/70/31/60/284703160.db2.gz BIUFVBVHMAASGT-XQQFMLRXSA-N 1 3 328.457 0.062 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000449347981 211280737 /nfs/dbraw/zinc/28/07/37/211280737.db2.gz KFLYPIQILACRQD-CZUORRHYSA-N 1 3 332.448 0.450 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419482284 209106774 /nfs/dbraw/zinc/10/67/74/209106774.db2.gz QACTXCZWEITAPE-KFWWJZLASA-N 1 3 326.485 0.666 20 0 ECADHO OCCN(CCC[N@H+](CCO)C1CCOCC1)C1CCOCC1 ZINC000444772678 211097658 /nfs/dbraw/zinc/09/76/58/211097658.db2.gz XIYCHCHUVFENEW-UHFFFAOYSA-N 1 3 330.469 0.323 20 0 ECADHO OCCN(CCC[N@@H+](CCO)C1CCOCC1)C1CCOCC1 ZINC000444772678 211097663 /nfs/dbraw/zinc/09/76/63/211097663.db2.gz XIYCHCHUVFENEW-UHFFFAOYSA-N 1 3 330.469 0.323 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC001041676458 781969759 /nfs/dbraw/zinc/96/97/59/781969759.db2.gz XMIBWPDPXHSFBS-WMZOPIPTSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC001041676458 781969771 /nfs/dbraw/zinc/96/97/71/781969771.db2.gz XMIBWPDPXHSFBS-WMZOPIPTSA-N 1 3 346.479 0.687 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410884115 208013394 /nfs/dbraw/zinc/01/33/94/208013394.db2.gz JKPITVFICRVCKX-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000410888132 208014147 /nfs/dbraw/zinc/01/41/47/208014147.db2.gz ULENBNVGXGEMMO-UHFFFAOYSA-N 1 3 340.512 0.975 20 0 ECADHO CS[C@@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1N(C)C ZINC000411418200 208099049 /nfs/dbraw/zinc/09/90/49/208099049.db2.gz HEGVONHJBJWPHC-JKSUJKDBSA-N 1 3 342.553 0.953 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000412348685 208225378 /nfs/dbraw/zinc/22/53/78/208225378.db2.gz RKWJXVUBPKUHBD-ZQDZILKHSA-N 1 3 326.485 0.535 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000412348685 208225384 /nfs/dbraw/zinc/22/53/84/208225384.db2.gz RKWJXVUBPKUHBD-ZQDZILKHSA-N 1 3 326.485 0.535 20 0 ECADHO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC(C[NH3+])CC1 ZINC000430637603 210392745 /nfs/dbraw/zinc/39/27/45/210392745.db2.gz CTSMYMCRCWRASO-CQSZACIVSA-N 1 3 348.447 0.623 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(C[NH3+])CC2)C1 ZINC000430601932 210386691 /nfs/dbraw/zinc/38/66/91/210386691.db2.gz FISYMIUCNAYGSF-MRXNPFEDSA-N 1 3 326.485 0.130 20 0 ECADHO NC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430558647 210380570 /nfs/dbraw/zinc/38/05/70/210380570.db2.gz WFDWAFDLWXLJHF-GFCCVEGCSA-N 1 3 326.422 0.086 20 0 ECADHO NC[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430558647 210380573 /nfs/dbraw/zinc/38/05/73/210380573.db2.gz WFDWAFDLWXLJHF-GFCCVEGCSA-N 1 3 326.422 0.086 20 0 ECADHO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415785329 208578967 /nfs/dbraw/zinc/57/89/67/208578967.db2.gz KIAUTKWPTTVQNP-ZDUSSCGKSA-N 1 3 336.436 0.727 20 0 ECADHO CN(C)CCN(Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418774929 208847855 /nfs/dbraw/zinc/84/78/55/208847855.db2.gz ZILLWDMVBKCMRF-QGZVFWFLSA-N 1 3 333.480 0.663 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000173976420 285244258 /nfs/dbraw/zinc/24/42/58/285244258.db2.gz HUJIDJJQOKUFSI-LSDHHAIUSA-N 1 3 341.500 0.521 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000173976420 285244259 /nfs/dbraw/zinc/24/42/59/285244259.db2.gz HUJIDJJQOKUFSI-LSDHHAIUSA-N 1 3 341.500 0.521 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCC1 ZINC000419242575 209039564 /nfs/dbraw/zinc/03/95/64/209039564.db2.gz RKOHZVDDVZDPIG-UHFFFAOYSA-N 1 3 346.475 0.965 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000130146658 285320819 /nfs/dbraw/zinc/32/08/19/285320819.db2.gz RWMFJUWKPOBOGW-IAGOWNOFSA-N 1 3 339.528 0.853 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C(=O)NCCN)C1 ZINC000419364008 209069796 /nfs/dbraw/zinc/06/97/96/209069796.db2.gz WKFGHXCYRXQTPH-GASCZTMLSA-N 1 3 346.475 0.856 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C(=O)NCCN)C1 ZINC000419364008 209069799 /nfs/dbraw/zinc/06/97/99/209069799.db2.gz WKFGHXCYRXQTPH-GASCZTMLSA-N 1 3 346.475 0.856 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)Cc2ccccc2C1 ZINC000419375069 209072530 /nfs/dbraw/zinc/07/25/30/209072530.db2.gz PWYFYSNDVPOTPT-MRXNPFEDSA-N 1 3 344.459 0.055 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000419118319 298578853 /nfs/dbraw/zinc/57/88/53/298578853.db2.gz IKNBJSJXDNAOGC-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188748982 165000578 /nfs/dbraw/zinc/00/05/78/165000578.db2.gz YXTFFLVTGHFLKR-XUWVNRHRSA-N 1 3 326.460 0.703 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188748982 165000579 /nfs/dbraw/zinc/00/05/79/165000579.db2.gz YXTFFLVTGHFLKR-XUWVNRHRSA-N 1 3 326.460 0.703 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCC1CC[NH2+]CC1 ZINC000237027587 165094701 /nfs/dbraw/zinc/09/47/01/165094701.db2.gz QSSIHPMXYDIONP-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000245465929 165107992 /nfs/dbraw/zinc/10/79/92/165107992.db2.gz YRLLVVMAFSKCNV-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000245465929 165107994 /nfs/dbraw/zinc/10/79/94/165107994.db2.gz YRLLVVMAFSKCNV-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)C1C[NH2+]C1 ZINC000262313036 165327485 /nfs/dbraw/zinc/32/74/85/165327485.db2.gz DDFJNGCYWYXDON-HNNXBMFYSA-N 1 3 330.476 0.906 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C2([NH3+])CCCC2)cc1 ZINC000262682095 165374078 /nfs/dbraw/zinc/37/40/78/165374078.db2.gz YCGXCKHITWZRKF-UHFFFAOYSA-N 1 3 332.448 0.866 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])Cc1ccccc1 ZINC000419393187 209078193 /nfs/dbraw/zinc/07/81/93/209078193.db2.gz MBMDHRMEDKSHJF-RDJZCZTQSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419398891 209080110 /nfs/dbraw/zinc/08/01/10/209080110.db2.gz IMARKFPYWQBRAE-HLLBOEOZSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419398891 209080114 /nfs/dbraw/zinc/08/01/14/209080114.db2.gz IMARKFPYWQBRAE-HLLBOEOZSA-N 1 3 346.475 0.819 20 0 ECADHO CN(C)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000331378349 296924986 /nfs/dbraw/zinc/92/49/86/296924986.db2.gz DEELZEJXCFXWTH-INIZCTEOSA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000123429847 222276416 /nfs/dbraw/zinc/27/64/16/222276416.db2.gz RSIQDBLPNKLCMN-ZIAGYGMSSA-N 1 3 328.501 0.925 20 0 ECADHO C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(C)(C)C[NH+](C)C ZINC000085290693 263143296 /nfs/dbraw/zinc/14/32/96/263143296.db2.gz AGPAJFDCEJHICJ-UONOGXRCSA-N 1 3 326.485 0.489 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000189774386 263163499 /nfs/dbraw/zinc/16/34/99/263163499.db2.gz DWRSJUKNMGGHGQ-INIZCTEOSA-N 1 3 327.517 0.853 20 0 ECADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000195125300 263170050 /nfs/dbraw/zinc/17/00/50/263170050.db2.gz JFFBFBPHQXMLHU-CVEARBPZSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000195125300 263170051 /nfs/dbraw/zinc/17/00/51/263170051.db2.gz JFFBFBPHQXMLHU-CVEARBPZSA-N 1 3 325.501 0.652 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419899008 276098228 /nfs/dbraw/zinc/09/82/28/276098228.db2.gz QBXNPBVDTYHHCU-LSDHHAIUSA-N 1 3 342.484 0.189 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)C2CCCC2)C[C@@H]1C ZINC000420092189 276222238 /nfs/dbraw/zinc/22/22/38/276222238.db2.gz VNKDNEMNSXYMAR-CWRNSKLLSA-N 1 3 338.496 0.951 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)C2CCCC2)C[C@@H]1C ZINC000420092189 276222239 /nfs/dbraw/zinc/22/22/39/276222239.db2.gz VNKDNEMNSXYMAR-CWRNSKLLSA-N 1 3 338.496 0.951 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420030749 276325067 /nfs/dbraw/zinc/32/50/67/276325067.db2.gz GUWWQBFCAMMAKP-QWHCGFSZSA-N 1 3 328.457 0.064 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418816060 278181917 /nfs/dbraw/zinc/18/19/17/278181917.db2.gz LLGXEPDVVMHRJV-BEFAXECRSA-N 1 3 346.475 0.963 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417760606 279360803 /nfs/dbraw/zinc/36/08/03/279360803.db2.gz XUBCZLPUSHRCHU-NVXWUHKLSA-N 1 3 337.512 0.796 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N(C)C ZINC000236719860 280148385 /nfs/dbraw/zinc/14/83/85/280148385.db2.gz BDJPIQDTRVPEPO-OWCLPIDISA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419374025 280239460 /nfs/dbraw/zinc/23/94/60/280239460.db2.gz PBHQPUMLZJIQTK-INIZCTEOSA-N 1 3 338.496 0.727 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423366330 280997919 /nfs/dbraw/zinc/99/79/19/280997919.db2.gz CLISVQQTSOWQSO-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000340216180 437608215 /nfs/dbraw/zinc/60/82/15/437608215.db2.gz AVDDZAPFEQVZST-HUUCEWRRSA-N 1 3 340.512 0.927 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420193609 289126577 /nfs/dbraw/zinc/12/65/77/289126577.db2.gz CSCOTJBUJXBJKY-UHFFFAOYSA-N 1 3 336.480 0.276 20 0 ECADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182342370 289153484 /nfs/dbraw/zinc/15/34/84/289153484.db2.gz AGMRQANXCJVYMQ-CVEARBPZSA-N 1 3 331.526 0.958 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420136204 297108064 /nfs/dbraw/zinc/10/80/64/297108064.db2.gz VYEHGBKBWCLAIO-BZUAXINKSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333341151 297126611 /nfs/dbraw/zinc/12/66/11/297126611.db2.gz YAQYAQNFWWQAJP-AWEZNQCLSA-N 1 3 333.440 0.444 20 0 ECADHO C[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC(C)CC1 ZINC000333849219 297152369 /nfs/dbraw/zinc/15/23/69/297152369.db2.gz WWVKBETUHTXEEL-DLBZAZTESA-N 1 3 337.512 0.796 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000337148142 297182287 /nfs/dbraw/zinc/18/22/87/297182287.db2.gz ZZQYSHKLXQJHKT-DLBZAZTESA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000337148142 297182289 /nfs/dbraw/zinc/18/22/89/297182289.db2.gz ZZQYSHKLXQJHKT-DLBZAZTESA-N 1 3 337.512 0.938 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCN1C ZINC000420160828 297256912 /nfs/dbraw/zinc/25/69/12/297256912.db2.gz BPGYRZVPXVRUFP-ILXRZTDVSA-N 1 3 338.496 0.822 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000339577329 297361091 /nfs/dbraw/zinc/36/10/91/297361091.db2.gz XLWDTIFEDLTDRC-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1CCC[N@H+](C)CC1)N1CCN(C)CC1 ZINC000339644566 297368272 /nfs/dbraw/zinc/36/82/72/297368272.db2.gz YUMIMIHAYSHRBV-MRXNPFEDSA-N 1 3 325.501 0.606 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1CCC[N@@H+](C)CC1)N1CCN(C)CC1 ZINC000339644566 297368273 /nfs/dbraw/zinc/36/82/73/297368273.db2.gz YUMIMIHAYSHRBV-MRXNPFEDSA-N 1 3 325.501 0.606 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000344487688 298027770 /nfs/dbraw/zinc/02/77/70/298027770.db2.gz WBISJYFCOXDSII-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000344521021 298032138 /nfs/dbraw/zinc/03/21/38/298032138.db2.gz URYOVELNUXMIQJ-AWEZNQCLSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[NH+]1CCCCC1 ZINC000345744040 298189214 /nfs/dbraw/zinc/18/92/14/298189214.db2.gz CFWDIUBDBFTRJC-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346198400 298237567 /nfs/dbraw/zinc/23/75/67/298237567.db2.gz YVMQUOLDHVFYNU-CABCVRRESA-N 1 3 338.496 0.774 20 0 ECADHO C[C@H](CCCC[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418696715 298387606 /nfs/dbraw/zinc/38/76/06/298387606.db2.gz MORSTTUUHIYUMA-OAHLLOKOSA-N 1 3 341.500 0.795 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419117942 298579581 /nfs/dbraw/zinc/57/95/81/298579581.db2.gz HZPDVKUMTCTJKV-OWCLPIDISA-N 1 3 336.480 0.435 20 0 ECADHO CN(C(=O)CCOC1C[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000348992932 298642753 /nfs/dbraw/zinc/64/27/53/298642753.db2.gz PPUQEZOBLZYDQC-UHFFFAOYSA-N 1 3 335.452 0.184 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000352415891 298925908 /nfs/dbraw/zinc/92/59/08/298925908.db2.gz CNCCDGFOHTZATJ-AWEZNQCLSA-N 1 3 325.501 0.794 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000353261583 299028354 /nfs/dbraw/zinc/02/83/54/299028354.db2.gz KYFZFVIOMGCKNZ-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000353261583 299028357 /nfs/dbraw/zinc/02/83/57/299028357.db2.gz KYFZFVIOMGCKNZ-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO CCOC(=O)[C@](C)(O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000361431393 300093578 /nfs/dbraw/zinc/09/35/78/300093578.db2.gz CVAWKEFMVOHRPU-QGZVFWFLSA-N 1 3 328.453 0.877 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1=O ZINC000361710959 300118411 /nfs/dbraw/zinc/11/84/11/300118411.db2.gz DXJGLMQIZFYEOK-ARFHVFGLSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1=O ZINC000361710959 300118413 /nfs/dbraw/zinc/11/84/13/300118413.db2.gz DXJGLMQIZFYEOK-ARFHVFGLSA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CCN1C[C@H](C)O ZINC000362564474 300199330 /nfs/dbraw/zinc/19/93/30/300199330.db2.gz LBBXPKLCHNJLCN-MELADBBJSA-N 1 3 335.452 0.404 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCN(C2CCOCC2)CC1 ZINC000362571559 300200230 /nfs/dbraw/zinc/20/02/30/300200230.db2.gz ZDWSVMUWRGQCOB-ZDUSSCGKSA-N 1 3 333.436 0.423 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000363581407 300277550 /nfs/dbraw/zinc/27/75/50/300277550.db2.gz XPCIQACLTLNVBL-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCC[NH2+]C1 ZINC000420106370 300797307 /nfs/dbraw/zinc/79/73/07/300797307.db2.gz RTNILWANZUOYJY-YJBOKZPZSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)CN1CCN(C)CC1 ZINC000074656977 436133456 /nfs/dbraw/zinc/13/34/56/436133456.db2.gz BJNNLRHKMGULIN-BBWFWOEESA-N 1 3 337.512 0.748 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)CN1CCN(C)CC1 ZINC000074656977 436133461 /nfs/dbraw/zinc/13/34/61/436133461.db2.gz BJNNLRHKMGULIN-BBWFWOEESA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000375214913 301159213 /nfs/dbraw/zinc/15/92/13/301159213.db2.gz OGDGLFQERQVWOY-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375214913 301159215 /nfs/dbraw/zinc/15/92/15/301159215.db2.gz OGDGLFQERQVWOY-ZACQAIPSSA-N 1 3 337.512 0.748 20 0 ECADHO CC[N@H+](CCO)CCNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000376883715 301299498 /nfs/dbraw/zinc/29/94/98/301299498.db2.gz MIYPLXGXRZEICE-UHFFFAOYSA-N 1 3 334.464 0.724 20 0 ECADHO CC[N@@H+](CCO)CCNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000376883715 301299500 /nfs/dbraw/zinc/29/95/00/301299500.db2.gz MIYPLXGXRZEICE-UHFFFAOYSA-N 1 3 334.464 0.724 20 0 ECADHO Cc1cc(N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)n2ncnc2n1 ZINC000515373715 301639329 /nfs/dbraw/zinc/63/93/29/301639329.db2.gz LHQQLDFRVOKIPM-HIFRSBDPSA-N 1 3 329.452 0.943 20 0 ECADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000516664355 301675923 /nfs/dbraw/zinc/67/59/23/301675923.db2.gz FFJKSTOHQFTDHN-HOTGVXAUSA-N 1 3 345.447 0.202 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCNC(=O)c1ccsc1 ZINC000530641511 302020750 /nfs/dbraw/zinc/02/07/50/302020750.db2.gz PLWDZGWMODVRDQ-UHFFFAOYSA-N 1 3 340.493 0.820 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000535631342 302121904 /nfs/dbraw/zinc/12/19/04/302121904.db2.gz LCQJCQSUCZVXBW-BZSNNMDCSA-N 1 3 331.460 0.937 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000535631342 302121906 /nfs/dbraw/zinc/12/19/06/302121906.db2.gz LCQJCQSUCZVXBW-BZSNNMDCSA-N 1 3 331.460 0.937 20 0 ECADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000114176060 436639730 /nfs/dbraw/zinc/63/97/30/436639730.db2.gz ZQHVBOSZKZTKEH-GJZGRUSLSA-N 1 3 326.485 0.489 20 0 ECADHO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000546568298 302246204 /nfs/dbraw/zinc/24/62/04/302246204.db2.gz KUAXPWAOCCXMKQ-WMZOPIPTSA-N 1 3 332.448 0.476 20 0 ECADHO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000546568298 302246207 /nfs/dbraw/zinc/24/62/07/302246207.db2.gz KUAXPWAOCCXMKQ-WMZOPIPTSA-N 1 3 332.448 0.476 20 0 ECADHO C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000549882994 302342718 /nfs/dbraw/zinc/34/27/18/302342718.db2.gz YRVQISIWKMICQN-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO COc1ccc(CCNC(=[NH2+])NCCN2CCCN(C)CC2)cc1 ZINC000066245660 436681014 /nfs/dbraw/zinc/68/10/14/436681014.db2.gz GATTYEYODPPYPA-UHFFFAOYSA-N 1 3 333.480 0.989 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000121732348 436723497 /nfs/dbraw/zinc/72/34/97/436723497.db2.gz BNRKLXNKOANTAF-INMHGKMJSA-N 1 3 328.501 0.966 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000237172207 436726104 /nfs/dbraw/zinc/72/61/04/436726104.db2.gz CJGGPINYVDDEPR-LJQANCHMSA-N 1 3 346.475 0.984 20 0 ECADHO CCOC(=O)CNC(=O)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000130283047 436835420 /nfs/dbraw/zinc/83/54/20/436835420.db2.gz WGPFXADCLLYWFT-OAHLLOKOSA-N 1 3 325.453 0.862 20 0 ECADHO C[NH+](C)[C@@H](CNC(=O)CN1CC[C@@](C)(C(N)=O)C1)c1ccccc1 ZINC000280854084 436927410 /nfs/dbraw/zinc/92/74/10/436927410.db2.gz YIAKWFHPFCUWMJ-MAUKXSAKSA-N 1 3 332.448 0.603 20 0 ECADHO C[C@H](CNC(=O)c1csc(CC[NH3+])n1)CN1CCN(C)CC1 ZINC000262421017 436931814 /nfs/dbraw/zinc/93/18/14/436931814.db2.gz UZKGVAJCFLWSGS-GFCCVEGCSA-N 1 3 325.482 0.258 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263244338 436957096 /nfs/dbraw/zinc/95/70/96/436957096.db2.gz MIPBSRRQXKYXEM-HOCLYGCPSA-N 1 3 342.484 0.045 20 0 ECADHO CN(CCC[NH+]1CCN(C)CC1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000174730007 437086656 /nfs/dbraw/zinc/08/66/56/437086656.db2.gz HWXLYBCVOFGVHJ-KRWDZBQOSA-N 1 3 348.495 0.485 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417688993 303372284 /nfs/dbraw/zinc/37/22/84/303372284.db2.gz SJCHFULZAXHXGX-HIFRSBDPSA-N 1 3 337.468 0.252 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000175780514 437116922 /nfs/dbraw/zinc/11/69/22/437116922.db2.gz RMCXQTPBQRMOIW-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO CC(C)[C@@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000177468272 437186276 /nfs/dbraw/zinc/18/62/76/437186276.db2.gz IFRUXFVXNVSGHQ-MRXNPFEDSA-N 1 3 326.485 0.861 20 0 ECADHO CC(C)[C@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)N1CCN(C)CC1 ZINC000324649052 437228929 /nfs/dbraw/zinc/22/89/29/437228929.db2.gz AQOMPFJEMXUHRM-ROUUACIJSA-N 1 3 332.492 0.945 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179290985 437258486 /nfs/dbraw/zinc/25/84/86/437258486.db2.gz ZHXMQCDZNNVTGT-UHFFFAOYSA-N 1 3 327.517 0.994 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H](O)CN(C)C2CC2)CC1 ZINC000336880431 437304455 /nfs/dbraw/zinc/30/44/55/437304455.db2.gz QDVLRQCXVUEQNR-LMMKCTJWSA-N 1 3 338.540 0.932 20 0 ECADHO C[C@H](CNC(=O)N(C)CCCN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000182408030 437348494 /nfs/dbraw/zinc/34/84/94/437348494.db2.gz SSXZJPYYTOQXLV-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000279286150 437389318 /nfs/dbraw/zinc/38/93/18/437389318.db2.gz JFWOZPUFMJOQMI-IYBDPMFKSA-N 1 3 344.459 0.749 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000279286150 437389322 /nfs/dbraw/zinc/38/93/22/437389322.db2.gz JFWOZPUFMJOQMI-IYBDPMFKSA-N 1 3 344.459 0.749 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000289640629 437431308 /nfs/dbraw/zinc/43/13/08/437431308.db2.gz BZSLIIOFDZDFSU-HNNXBMFYSA-N 1 3 337.420 0.524 20 0 ECADHO CO[C@@H](C[NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000290281020 437475081 /nfs/dbraw/zinc/47/50/81/437475081.db2.gz ZLWNLOSYNLFTBS-IRXDYDNUSA-N 1 3 334.464 0.455 20 0 ECADHO CCN1CCC(NC(=O)C(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000339670084 437488169 /nfs/dbraw/zinc/48/81/69/437488169.db2.gz KJJURKGCVVZGHZ-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO COC(=O)CNC(=O)CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750331 437449032 /nfs/dbraw/zinc/44/90/32/437449032.db2.gz NPFWDFUYSSJVRQ-KBPBESRZSA-N 1 3 325.453 0.908 20 0 ECADHO COC(=O)CNC(=O)CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750331 437449036 /nfs/dbraw/zinc/44/90/36/437449036.db2.gz NPFWDFUYSSJVRQ-KBPBESRZSA-N 1 3 325.453 0.908 20 0 ECADHO COC(=O)CNC(=O)CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185750331 437449039 /nfs/dbraw/zinc/44/90/39/437449039.db2.gz NPFWDFUYSSJVRQ-KBPBESRZSA-N 1 3 325.453 0.908 20 0 ECADHO CN1CCC(n2ccc(NC(=O)N3CC[C@@H](C[NH+](C)C)C3)n2)CC1 ZINC000330213944 437468989 /nfs/dbraw/zinc/46/89/89/437468989.db2.gz LJKCTIKKKAGZBH-AWEZNQCLSA-N 1 3 334.468 1.565 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339964056 437533085 /nfs/dbraw/zinc/53/30/85/437533085.db2.gz AIXBLNVXSHZGOZ-WBMJQRKESA-N 1 3 334.464 0.328 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000360172428 437545444 /nfs/dbraw/zinc/54/54/44/437545444.db2.gz SPHMLJXBPSHWRP-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000360186126 437550775 /nfs/dbraw/zinc/55/07/75/437550775.db2.gz ZHMBUQKBVUVULL-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000360186126 437550777 /nfs/dbraw/zinc/55/07/77/437550777.db2.gz ZHMBUQKBVUVULL-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340479529 437661175 /nfs/dbraw/zinc/66/11/75/437661175.db2.gz RROAYDTXYJOCCI-IXDOHACOSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340479529 437661178 /nfs/dbraw/zinc/66/11/78/437661178.db2.gz RROAYDTXYJOCCI-IXDOHACOSA-N 1 3 348.491 0.816 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340507906 437677456 /nfs/dbraw/zinc/67/74/56/437677456.db2.gz GZVZQSXHGHEFNF-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340507906 437677459 /nfs/dbraw/zinc/67/74/59/437677459.db2.gz GZVZQSXHGHEFNF-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](CNC(=O)NCCC[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000340989536 437768955 /nfs/dbraw/zinc/76/89/55/437768955.db2.gz IGVYOIHKSZOXCT-INIZCTEOSA-N 1 3 325.501 0.655 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000415266282 437770348 /nfs/dbraw/zinc/77/03/48/437770348.db2.gz GOCYEUSYHGOCHJ-ZDUSSCGKSA-N 1 3 334.420 0.515 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000423599649 437772405 /nfs/dbraw/zinc/77/24/05/437772405.db2.gz XPHDLJWHKNDLDV-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCN(C(=O)[C@H](C)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000344040535 437722917 /nfs/dbraw/zinc/72/29/17/437722917.db2.gz VEWRCWRITDYBIB-KRWDZBQOSA-N 1 3 341.544 0.354 20 0 ECADHO CCN1CCN(C(=O)[C@H](C)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000344040535 437722922 /nfs/dbraw/zinc/72/29/22/437722922.db2.gz VEWRCWRITDYBIB-KRWDZBQOSA-N 1 3 341.544 0.354 20 0 ECADHO CCN1CCN(C(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000344040535 437722926 /nfs/dbraw/zinc/72/29/26/437722926.db2.gz VEWRCWRITDYBIB-KRWDZBQOSA-N 1 3 341.544 0.354 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000340801849 437739080 /nfs/dbraw/zinc/73/90/80/437739080.db2.gz RSDCSPZVANLYGU-LSDHHAIUSA-N 1 3 336.480 0.601 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)C[NH+]1CCCC1 ZINC000340801847 437739116 /nfs/dbraw/zinc/73/91/16/437739116.db2.gz RSDCSPZVANLYGU-HUUCEWRRSA-N 1 3 336.480 0.601 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362526473 437741489 /nfs/dbraw/zinc/74/14/89/437741489.db2.gz ROFFYOABQUTTJX-DZGCQCFKSA-N 1 3 325.453 0.575 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362526473 437741493 /nfs/dbraw/zinc/74/14/93/437741493.db2.gz ROFFYOABQUTTJX-DZGCQCFKSA-N 1 3 325.453 0.575 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000423743206 437820941 /nfs/dbraw/zinc/82/09/41/437820941.db2.gz JSXLFBMYDTYVKS-CVEARBPZSA-N 1 3 349.479 0.990 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423616219 437778369 /nfs/dbraw/zinc/77/83/69/437778369.db2.gz UZFYHJQRKJZQRR-ZDUSSCGKSA-N 1 3 338.477 0.446 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCn2ccnc2C)CC1 ZINC000341043216 437782855 /nfs/dbraw/zinc/78/28/55/437782855.db2.gz AHMYBRMUAJBLIM-HNNXBMFYSA-N 1 3 336.484 0.764 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)CC1 ZINC000415337988 437783662 /nfs/dbraw/zinc/78/36/62/437783662.db2.gz UNRDQGFCPZFLEY-HNNXBMFYSA-N 1 3 345.447 0.245 20 0 ECADHO C[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)N1CCSCC1 ZINC000356637483 437803302 /nfs/dbraw/zinc/80/33/02/437803302.db2.gz DSSJWAIXTGIDBA-OAHLLOKOSA-N 1 3 330.542 0.766 20 0 ECADHO C[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)N1CCSCC1 ZINC000356637483 437803307 /nfs/dbraw/zinc/80/33/07/437803307.db2.gz DSSJWAIXTGIDBA-OAHLLOKOSA-N 1 3 330.542 0.766 20 0 ECADHO C[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)N1CCSCC1 ZINC000356637483 437803313 /nfs/dbraw/zinc/80/33/13/437803313.db2.gz DSSJWAIXTGIDBA-OAHLLOKOSA-N 1 3 330.542 0.766 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)C1 ZINC000423694496 437805741 /nfs/dbraw/zinc/80/57/41/437805741.db2.gz UIOZXOUHPHNESO-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423695317 437806857 /nfs/dbraw/zinc/80/68/57/437806857.db2.gz BRADXJWHYQKFGU-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423712389 437809358 /nfs/dbraw/zinc/80/93/58/437809358.db2.gz OFDOKGOJZFZOQY-CVEARBPZSA-N 1 3 333.432 1.000 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000415898274 437879272 /nfs/dbraw/zinc/87/92/72/437879272.db2.gz SXGZRLVNQAUHPH-HUUCEWRRSA-N 1 3 330.432 0.755 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)c2ccn[nH]2)[C@@H](C)C1 ZINC000356786200 437834983 /nfs/dbraw/zinc/83/49/83/437834983.db2.gz OBXURMBZCSGADC-GJZGRUSLSA-N 1 3 337.468 0.866 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)c2ccn[nH]2)[C@@H](C)C1 ZINC000356786200 437834987 /nfs/dbraw/zinc/83/49/87/437834987.db2.gz OBXURMBZCSGADC-GJZGRUSLSA-N 1 3 337.468 0.866 20 0 ECADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)CN ZINC000415664709 437837809 /nfs/dbraw/zinc/83/78/09/437837809.db2.gz XHRAHSKGNKLOHV-ZDUSSCGKSA-N 1 3 336.436 0.809 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(C)C2C[NH2+]C2)ccc1OCCN(C)C ZINC000415734688 437848941 /nfs/dbraw/zinc/84/89/41/437848941.db2.gz KQKFAGHOKTVTEX-UHFFFAOYSA-N 1 3 334.420 0.304 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(C)C2CNC2)ccc1OCC[NH+](C)C ZINC000415734688 437848945 /nfs/dbraw/zinc/84/89/45/437848945.db2.gz KQKFAGHOKTVTEX-UHFFFAOYSA-N 1 3 334.420 0.304 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415958099 437883623 /nfs/dbraw/zinc/88/36/23/437883623.db2.gz VZORHDIDMHDHSM-CYBMUJFWSA-N 1 3 335.456 0.736 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415958099 437883625 /nfs/dbraw/zinc/88/36/25/437883625.db2.gz VZORHDIDMHDHSM-CYBMUJFWSA-N 1 3 335.456 0.736 20 0 ECADHO O=C(NCC1CCN(Cc2ccccc2F)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365319041 437893226 /nfs/dbraw/zinc/89/32/26/437893226.db2.gz JHHNKDRJQLQVLV-DOTOQJQBSA-N 1 3 335.423 0.877 20 0 ECADHO [NH3+]C1(CNC(=O)[C@H]2COCCN2)CCN(Cc2ccccc2)CC1 ZINC000424188210 437902085 /nfs/dbraw/zinc/90/20/85/437902085.db2.gz BQWZQCHDBKNEHH-MRXNPFEDSA-N 1 3 332.448 0.085 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000371271089 437908051 /nfs/dbraw/zinc/90/80/51/437908051.db2.gz MHABFCAGMALXMG-GJZGRUSLSA-N 1 3 348.495 0.614 20 0 ECADHO COC[C@H](C)OC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365709930 437954134 /nfs/dbraw/zinc/95/41/34/437954134.db2.gz GETGEHLBCJLRND-CGTJXYLNSA-N 1 3 343.512 0.499 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)N(C)C1CC1 ZINC000342058167 437954025 /nfs/dbraw/zinc/95/40/25/437954025.db2.gz QITGFKKVXZMEMO-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO COC[C@H](C)OC[C@H](O)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365709930 437954140 /nfs/dbraw/zinc/95/41/40/437954140.db2.gz GETGEHLBCJLRND-CGTJXYLNSA-N 1 3 343.512 0.499 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000347967442 437986898 /nfs/dbraw/zinc/98/68/98/437986898.db2.gz NFBZMROEQZEASZ-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCNc1nc(NC(C)(C)C)nc(N2CCC([NH2+]CCO)CC2)n1 ZINC000357449113 437990565 /nfs/dbraw/zinc/99/05/65/437990565.db2.gz BNTVMOOATCFTMJ-UHFFFAOYSA-N 1 3 337.472 0.486 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC000342501771 438022550 /nfs/dbraw/zinc/02/25/50/438022550.db2.gz WUNWBRILNADEFG-JZWPEALZSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC000342501771 438022552 /nfs/dbraw/zinc/02/25/52/438022552.db2.gz WUNWBRILNADEFG-JZWPEALZSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417199135 438030917 /nfs/dbraw/zinc/03/09/17/438030917.db2.gz SOGKYMVBTVBFES-IAGOWNOFSA-N 1 3 334.464 0.837 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)N(C)C ZINC000357650712 438036424 /nfs/dbraw/zinc/03/64/24/438036424.db2.gz GTBDHGQHMAEMOA-CYBMUJFWSA-N 1 3 336.436 0.632 20 0 ECADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417362505 438043220 /nfs/dbraw/zinc/04/32/20/438043220.db2.gz ABXZZJLATITQNS-HUUCEWRRSA-N 1 3 334.468 0.629 20 0 ECADHO [NH3+]C[C@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000417366725 438043583 /nfs/dbraw/zinc/04/35/83/438043583.db2.gz KWIRKDLBGUFSRP-KRWDZBQOSA-N 1 3 346.479 0.630 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCN1C ZINC000348003639 437996301 /nfs/dbraw/zinc/99/63/01/437996301.db2.gz HXKHQVMPECYOAH-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000416974496 438010177 /nfs/dbraw/zinc/01/01/77/438010177.db2.gz LMCCRRBYEWXLNU-MRXNPFEDSA-N 1 3 349.479 0.330 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000348759747 438095997 /nfs/dbraw/zinc/09/59/97/438095997.db2.gz CLGDGPSFYVNRRQ-GDBMZVCRSA-N 1 3 336.480 0.696 20 0 ECADHO COC1CCN(C2(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CCCC2)CC1 ZINC000357935979 438102971 /nfs/dbraw/zinc/10/29/71/438102971.db2.gz VKDCPGRSYKYISC-HIFRSBDPSA-N 1 3 325.453 0.249 20 0 ECADHO CC[C@@H]1CN(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CCN1CCOC ZINC000357757675 438061066 /nfs/dbraw/zinc/06/10/66/438061066.db2.gz SWBKEKHHICUJMH-XMTFNYHQSA-N 1 3 343.512 0.499 20 0 ECADHO CC[C@@H]1CN(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000357757675 438061070 /nfs/dbraw/zinc/06/10/70/438061070.db2.gz SWBKEKHHICUJMH-XMTFNYHQSA-N 1 3 343.512 0.499 20 0 ECADHO CC[C@@H]1CN(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC000357757675 438061077 /nfs/dbraw/zinc/06/10/77/438061077.db2.gz SWBKEKHHICUJMH-XMTFNYHQSA-N 1 3 343.512 0.499 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417573574 438061087 /nfs/dbraw/zinc/06/10/87/438061087.db2.gz XBRULQWPHOTZTR-ZBFHGGJFSA-N 1 3 328.457 0.165 20 0 ECADHO C[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000417576870 438062160 /nfs/dbraw/zinc/06/21/60/438062160.db2.gz IKHDHAJHVDROGI-INIZCTEOSA-N 1 3 333.480 0.711 20 0 ECADHO COCC[NH2+]CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417732264 438070796 /nfs/dbraw/zinc/07/07/96/438070796.db2.gz GZTJFFNDSTXPBZ-UHFFFAOYSA-N 1 3 334.464 0.621 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)CC1 ZINC000372365797 438078283 /nfs/dbraw/zinc/07/82/83/438078283.db2.gz LNBJNHUPCWUOBP-SJORKVTESA-N 1 3 338.496 0.384 20 0 ECADHO C[C@H]1CN(CCCNC(=O)NCCCN2CC[NH2+]CC2)CCCO1 ZINC000418115064 438107561 /nfs/dbraw/zinc/10/75/61/438107561.db2.gz NIFGVBRWFJDONO-INIZCTEOSA-N 1 3 341.500 0.082 20 0 ECADHO C[C@H]1C[N@H+](CCCNC(=O)N[C@@H]2CNCCC2(F)F)CCCO1 ZINC000418116434 438108950 /nfs/dbraw/zinc/10/89/50/438108950.db2.gz QEIRBLNLVHMGGF-QWHCGFSZSA-N 1 3 334.411 0.784 20 0 ECADHO C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CNCCC2(F)F)CCCO1 ZINC000418116434 438108951 /nfs/dbraw/zinc/10/89/51/438108951.db2.gz QEIRBLNLVHMGGF-QWHCGFSZSA-N 1 3 334.411 0.784 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418158602 438112858 /nfs/dbraw/zinc/11/28/58/438112858.db2.gz CJHFSIWHXDMEHQ-LSDHHAIUSA-N 1 3 325.501 0.924 20 0 ECADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccco1 ZINC000418168278 438114653 /nfs/dbraw/zinc/11/46/53/438114653.db2.gz NYFCUCUBVBBPPO-ZNMIVQPWSA-N 1 3 337.468 0.912 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418290126 438125220 /nfs/dbraw/zinc/12/52/20/438125220.db2.gz QJJGIKXIYTZOSS-MRXNPFEDSA-N 1 3 341.500 0.034 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418388707 438137689 /nfs/dbraw/zinc/13/76/89/438137689.db2.gz NKXYCYQRERPMCB-AWEZNQCLSA-N 1 3 327.473 0.133 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418411621 438141197 /nfs/dbraw/zinc/14/11/97/438141197.db2.gz QFCOJXIXLONNQO-CQSZACIVSA-N 1 3 327.473 0.261 20 0 ECADHO N[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000418446183 438147508 /nfs/dbraw/zinc/14/75/08/438147508.db2.gz HSWXCPQSJUNUFL-CVEARBPZSA-N 1 3 347.463 0.716 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000418670201 438175238 /nfs/dbraw/zinc/17/52/38/438175238.db2.gz KSIXNIKYTJEYIC-FVQHAEBGSA-N 1 3 332.448 0.986 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418744562 438180482 /nfs/dbraw/zinc/18/04/82/438180482.db2.gz ULDYVKVRJKMISG-HRCADAONSA-N 1 3 326.485 0.896 20 0 ECADHO CC(C)C[C@H](NC(=O)NCC1=CC[NH2+]CC1)C(=O)NCCN(C)C ZINC000418546024 438159630 /nfs/dbraw/zinc/15/96/30/438159630.db2.gz WUYYITXUQBOHHT-HNNXBMFYSA-N 1 3 339.484 0.298 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418574271 438162982 /nfs/dbraw/zinc/16/29/82/438162982.db2.gz GDZZDGHDNQDSEQ-CABCVRRESA-N 1 3 325.501 0.972 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000418592862 438164435 /nfs/dbraw/zinc/16/44/35/438164435.db2.gz QPUDMOOMAZUFQH-CQSZACIVSA-N 1 3 327.473 0.180 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000418858295 438220705 /nfs/dbraw/zinc/22/07/05/438220705.db2.gz JAOLKCFNWQTQOY-JKSUJKDBSA-N 1 3 332.448 0.745 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000418860460 438223083 /nfs/dbraw/zinc/22/30/83/438223083.db2.gz DZMCRVFBOYDGEF-LSDHHAIUSA-N 1 3 340.512 0.975 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000418865089 438224872 /nfs/dbraw/zinc/22/48/72/438224872.db2.gz LOMVUFMLTHOZAQ-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000418877156 438231538 /nfs/dbraw/zinc/23/15/38/438231538.db2.gz NWCZSJHMOLPAHS-USXIJHARSA-N 1 3 346.475 0.471 20 0 ECADHO COCCN1CCC(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433396425 438244722 /nfs/dbraw/zinc/24/47/22/438244722.db2.gz WIEAEMCMXNHCOR-CQSZACIVSA-N 1 3 336.440 0.043 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000358519013 438245153 /nfs/dbraw/zinc/24/51/53/438245153.db2.gz FNLRXFKSOWPXEE-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418825526 438203473 /nfs/dbraw/zinc/20/34/73/438203473.db2.gz BTWXOJKHOUKPCU-MRXNPFEDSA-N 1 3 332.448 0.792 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000418832140 438204993 /nfs/dbraw/zinc/20/49/93/438204993.db2.gz YZYNOWQVITXOTQ-LPHOPBHVSA-N 1 3 344.459 0.717 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000418941838 438258255 /nfs/dbraw/zinc/25/82/55/438258255.db2.gz IPDNZKAVEQERHQ-GDBMZVCRSA-N 1 3 332.448 0.573 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418945742 438259436 /nfs/dbraw/zinc/25/94/36/438259436.db2.gz LUZDEVWJANGTHD-DJIMGWMZSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418969248 438268174 /nfs/dbraw/zinc/26/81/74/438268174.db2.gz VFJFGZKIEZDUMI-WBVHZDCISA-N 1 3 346.475 0.739 20 0 ECADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]12 ZINC000351497093 438270309 /nfs/dbraw/zinc/27/03/09/438270309.db2.gz SPCCIBQQLOFORP-HRCADAONSA-N 1 3 344.463 0.184 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000418982946 438270736 /nfs/dbraw/zinc/27/07/36/438270736.db2.gz BPHIQGXXDXSPSC-OCCSQVGLSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000418982946 438270739 /nfs/dbraw/zinc/27/07/39/438270739.db2.gz BPHIQGXXDXSPSC-OCCSQVGLSA-N 1 3 340.468 0.206 20 0 ECADHO CN(CCCNC(=O)C(=O)NCC1=CC[NH2+]CC1)Cc1ccccc1 ZINC000418991001 438274534 /nfs/dbraw/zinc/27/45/34/438274534.db2.gz DEZQXSOQCWBHQM-UHFFFAOYSA-N 1 3 344.459 0.661 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCN(Cc2ccccc2)CC1 ZINC000351517529 438277425 /nfs/dbraw/zinc/27/74/25/438277425.db2.gz AQTYMGNLTXEZFR-KRWDZBQOSA-N 1 3 344.459 0.589 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000419020843 438290209 /nfs/dbraw/zinc/29/02/09/438290209.db2.gz GEYNVLFPTIAOPA-NPJQDHAYSA-N 1 3 338.496 0.665 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419026799 438293263 /nfs/dbraw/zinc/29/32/63/438293263.db2.gz NWARPJBZCQGGJB-FXUDXRNXSA-N 1 3 338.496 0.809 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419027601 438295349 /nfs/dbraw/zinc/29/53/49/438295349.db2.gz OXZLEOPEMXKMKJ-FPCVCCKLSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1C[N@H+](CCCNC(=O)NCC2(O)CCN(C)CC2)CCCO1 ZINC000433454877 438251381 /nfs/dbraw/zinc/25/13/81/438251381.db2.gz HCRJJGIAERIVOZ-OAHLLOKOSA-N 1 3 342.484 0.243 20 0 ECADHO C[C@@H]1C[N@@H+](CCCNC(=O)NCC2(O)CCN(C)CC2)CCCO1 ZINC000433454877 438251385 /nfs/dbraw/zinc/25/13/85/438251385.db2.gz HCRJJGIAERIVOZ-OAHLLOKOSA-N 1 3 342.484 0.243 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)NC2CCN(C3CC3)CC2)CCCCCC1 ZINC000419122252 438332964 /nfs/dbraw/zinc/33/29/64/438332964.db2.gz WKCBNMSPWWXWLZ-UHFFFAOYSA-N 1 3 336.480 0.897 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000419033673 438299256 /nfs/dbraw/zinc/29/92/56/438299256.db2.gz YOGVHIBSJMIZEN-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419049144 438304941 /nfs/dbraw/zinc/30/49/41/438304941.db2.gz XBQWLFROWVBRLO-UONOGXRCSA-N 1 3 326.485 0.585 20 0 ECADHO CCS(=O)(=O)NCCCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378436100 438388177 /nfs/dbraw/zinc/38/81/77/438388177.db2.gz VGYOJEUWSIJYES-INIZCTEOSA-N 1 3 346.541 0.416 20 0 ECADHO CCS(=O)(=O)NCCCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378436100 438388180 /nfs/dbraw/zinc/38/81/80/438388180.db2.gz VGYOJEUWSIJYES-INIZCTEOSA-N 1 3 346.541 0.416 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000351860945 438350694 /nfs/dbraw/zinc/35/06/94/438350694.db2.gz JRPAHAGYCKVFLU-LSDHHAIUSA-N 1 3 332.452 0.184 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000419375630 438355673 /nfs/dbraw/zinc/35/56/73/438355673.db2.gz RSNUFFCZBOZQLH-CVEARBPZSA-N 1 3 340.512 0.831 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419431693 438357304 /nfs/dbraw/zinc/35/73/04/438357304.db2.gz XQPYKMQYIVANEH-HRCADAONSA-N 1 3 340.512 0.960 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1=O ZINC000378181812 438359278 /nfs/dbraw/zinc/35/92/78/438359278.db2.gz HHRHKNCSSCWBBO-OAGGEKHMSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1=O ZINC000378181812 438359281 /nfs/dbraw/zinc/35/92/81/438359281.db2.gz HHRHKNCSSCWBBO-OAGGEKHMSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419475838 438360400 /nfs/dbraw/zinc/36/04/00/438360400.db2.gz FMGKRKLYWMQFHE-HZPDHXFCSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C1=CCN(C)CC1 ZINC000419632881 438364907 /nfs/dbraw/zinc/36/49/07/438364907.db2.gz YCZRBXXQCQQJMQ-CJNGLKHVSA-N 1 3 336.480 0.777 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419684852 438367007 /nfs/dbraw/zinc/36/70/07/438367007.db2.gz VUYHJNXDCCIOQC-HNNXBMFYSA-N 1 3 338.496 0.955 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419692620 438367270 /nfs/dbraw/zinc/36/72/70/438367270.db2.gz GZNPOKHQLHQKIS-QKPAOTATSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)[C@@H]1C[NH3+] ZINC000419697416 438367359 /nfs/dbraw/zinc/36/73/59/438367359.db2.gz QOOUECJCIHPQNG-IIAWOOMASA-N 1 3 336.480 0.705 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419958200 438380489 /nfs/dbraw/zinc/38/04/89/438380489.db2.gz PPLOPJUHILGQLP-CABCVRRESA-N 1 3 326.485 0.666 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419958200 438380493 /nfs/dbraw/zinc/38/04/93/438380493.db2.gz PPLOPJUHILGQLP-CABCVRRESA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000389914593 438429262 /nfs/dbraw/zinc/42/92/62/438429262.db2.gz KOSSCLJXYJNMGK-WBVHZDCISA-N 1 3 344.459 0.445 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000389889635 438429950 /nfs/dbraw/zinc/42/99/50/438429950.db2.gz UXNFDYNRCRLDSD-HIFRSBDPSA-N 1 3 328.420 0.487 20 0 ECADHO CO[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000420316806 438400129 /nfs/dbraw/zinc/40/01/29/438400129.db2.gz YNSCMWILIAYDPV-KSZLIROESA-N 1 3 348.491 0.844 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000359272961 438400830 /nfs/dbraw/zinc/40/08/30/438400830.db2.gz MUWCAFSGEZUVDC-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000359272961 438400835 /nfs/dbraw/zinc/40/08/35/438400835.db2.gz MUWCAFSGEZUVDC-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000420448051 438409130 /nfs/dbraw/zinc/40/91/30/438409130.db2.gz KVSHIUSMLVVEAN-UHFFFAOYSA-N 1 3 343.497 0.482 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)C1CC1 ZINC000359323010 438411761 /nfs/dbraw/zinc/41/17/61/438411761.db2.gz OLLADPJPOFTAGA-GOEBONIOSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)C1CC1 ZINC000359323010 438411766 /nfs/dbraw/zinc/41/17/66/438411766.db2.gz OLLADPJPOFTAGA-GOEBONIOSA-N 1 3 338.496 0.918 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)C1CC1 ZINC000359324284 438412630 /nfs/dbraw/zinc/41/26/30/438412630.db2.gz QOTAUXXWXWOJSO-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)C1CC1 ZINC000359324284 438412633 /nfs/dbraw/zinc/41/26/33/438412633.db2.gz QOTAUXXWXWOJSO-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN(C)C2CC2)CC1=O ZINC000369035259 438413639 /nfs/dbraw/zinc/41/36/39/438413639.db2.gz DRKXQQCCAJCMAZ-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN(C)C2CC2)CC1=O ZINC000369035259 438413643 /nfs/dbraw/zinc/41/36/43/438413643.db2.gz DRKXQQCCAJCMAZ-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)[NH+]1CCC(C)CC1 ZINC000422262801 438537919 /nfs/dbraw/zinc/53/79/19/438537919.db2.gz ADHPBXRALHJPHZ-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)[C@@H](C)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000441465756 438585977 /nfs/dbraw/zinc/58/59/77/438585977.db2.gz QJQCNYZBGUBYDQ-FZKCQIBNSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)[C@@H](C)CN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000441465756 438585979 /nfs/dbraw/zinc/58/59/79/438585979.db2.gz QJQCNYZBGUBYDQ-FZKCQIBNSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C ZINC000441465756 438585981 /nfs/dbraw/zinc/58/59/81/438585981.db2.gz QJQCNYZBGUBYDQ-FZKCQIBNSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C ZINC000441465756 438585982 /nfs/dbraw/zinc/58/59/82/438585982.db2.gz QJQCNYZBGUBYDQ-FZKCQIBNSA-N 1 3 336.480 0.623 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422380775 438559751 /nfs/dbraw/zinc/55/97/51/438559751.db2.gz RIJATXMWJSXAMT-UHFFFAOYSA-N 1 3 326.485 0.824 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@H](C)[C@H](N(C)C)C1)C(C)C ZINC000410677351 438627223 /nfs/dbraw/zinc/62/72/23/438627223.db2.gz RHCRZAXACPVDSK-JKSUJKDBSA-N 1 3 340.512 0.972 20 0 ECADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423018631 438628559 /nfs/dbraw/zinc/62/85/59/438628559.db2.gz RKVHHGSHQOVXJW-UHFFFAOYSA-N 1 3 340.493 0.836 20 0 ECADHO CC(C)C[C@H]([NH2+][C@@H](C)C[C@@H]1COCCN1)C(=O)NCCN(C)C ZINC000423025001 438629295 /nfs/dbraw/zinc/62/92/95/438629295.db2.gz KONBAXHOJPMAHB-XHSDSOJGSA-N 1 3 328.501 0.436 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000423153694 438643006 /nfs/dbraw/zinc/64/30/06/438643006.db2.gz NYXWGVSWOCITDM-GOEBONIOSA-N 1 3 336.480 0.659 20 0 ECADHO COC[C@@]1(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]C1 ZINC000423348784 438665251 /nfs/dbraw/zinc/66/52/51/438665251.db2.gz UZJYZTBYJUENBC-HLLBOEOZSA-N 1 3 327.469 0.618 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410882388 438666346 /nfs/dbraw/zinc/66/63/46/438666346.db2.gz FMABXGDZSITOJY-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423498132 438680895 /nfs/dbraw/zinc/68/08/95/438680895.db2.gz GNJWLLQXCGBOJX-HOTGVXAUSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423581834 438691555 /nfs/dbraw/zinc/69/15/55/438691555.db2.gz DVEYUNJGGWLDGY-CQSZACIVSA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414886974 438720960 /nfs/dbraw/zinc/72/09/60/438720960.db2.gz WFNXRXPHBIRQPQ-CYBMUJFWSA-N 1 3 348.447 0.954 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414886974 438720962 /nfs/dbraw/zinc/72/09/62/438720962.db2.gz WFNXRXPHBIRQPQ-CYBMUJFWSA-N 1 3 348.447 0.954 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414960855 438724021 /nfs/dbraw/zinc/72/40/21/438724021.db2.gz UQKHSOBLLXBEKZ-SJCJKPOMSA-N 1 3 342.443 0.870 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414960859 438725361 /nfs/dbraw/zinc/72/53/61/438725361.db2.gz UQKHSOBLLXBEKZ-SJKOYZFVSA-N 1 3 342.443 0.870 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415117064 438730770 /nfs/dbraw/zinc/73/07/70/438730770.db2.gz FVGPFHLWWVTEKJ-UHFFFAOYSA-N 1 3 334.420 0.517 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@H](O)CNCCC[NH+]1CCCC1 ZINC000557185355 438796283 /nfs/dbraw/zinc/79/62/83/438796283.db2.gz QBYCIGXYGDBNBW-CQSZACIVSA-N 1 3 331.416 0.719 20 0 ECADHO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]CCCN1CCCC1 ZINC000557185355 438796286 /nfs/dbraw/zinc/79/62/86/438796286.db2.gz QBYCIGXYGDBNBW-CQSZACIVSA-N 1 3 331.416 0.719 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CN1Cc1ccccc1 ZINC000557184662 438796331 /nfs/dbraw/zinc/79/63/31/438796331.db2.gz XPDLQLFNDCYPII-NXHRZFHOSA-N 1 3 345.491 0.934 20 0 ECADHO O=C(NC1C[NH2+]C1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000557297259 438799266 /nfs/dbraw/zinc/79/92/66/438799266.db2.gz CUPXIDLNKCRDBP-UHFFFAOYSA-N 1 3 344.459 0.242 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000576099461 438768030 /nfs/dbraw/zinc/76/80/30/438768030.db2.gz RDLOMNXVUOYHSA-AWEZNQCLSA-N 1 3 338.496 0.905 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000558957751 438830896 /nfs/dbraw/zinc/83/08/96/438830896.db2.gz JWQXFGVOBPQTPN-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO CC(C)[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)N1CCN(C)CC1 ZINC000577830968 438873254 /nfs/dbraw/zinc/87/32/54/438873254.db2.gz LLDKQFUXYUZCOP-KGLIPLIRSA-N 1 3 347.454 0.555 20 0 ECADHO COC(=O)CCN1CCC[C@H](N2CCC(OCCC[NH3+])CC2)C1=O ZINC000595890268 438880065 /nfs/dbraw/zinc/88/00/65/438880065.db2.gz DSMUCTVPQDEZHT-HNNXBMFYSA-N 1 3 341.452 0.370 20 0 ECADHO COC(=O)CCN1CCC[C@@H](N2CCC([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000595895586 438880067 /nfs/dbraw/zinc/88/00/67/438880067.db2.gz PRUQUWDXBUYAOR-HZPDHXFCSA-N 1 3 337.464 0.862 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000564935814 438889620 /nfs/dbraw/zinc/88/96/20/438889620.db2.gz CDGPVXGGMWINCE-KBPBESRZSA-N 1 3 335.452 0.669 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000459322038 438957372 /nfs/dbraw/zinc/95/73/72/438957372.db2.gz SYLAAOWYOIBCGM-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000459322038 438957376 /nfs/dbraw/zinc/95/73/76/438957376.db2.gz SYLAAOWYOIBCGM-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000578857723 438957799 /nfs/dbraw/zinc/95/77/99/438957799.db2.gz SVRIFESRHFCZSN-OAHLLOKOSA-N 1 3 334.464 0.285 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459367035 438959114 /nfs/dbraw/zinc/95/91/14/438959114.db2.gz UYNPVMOCJFZUPU-ZIAGYGMSSA-N 1 3 326.441 0.359 20 0 ECADHO C[C@H](CN1CCOCC1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000517373285 438962521 /nfs/dbraw/zinc/96/25/21/438962521.db2.gz XNJBOAOZKFWXDN-IXDOHACOSA-N 1 3 338.496 0.287 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)N[C@@H](C)C2=O)[C@H](C)C1 ZINC000459412734 438966980 /nfs/dbraw/zinc/96/69/80/438966980.db2.gz RPHHANNCBZTRGV-ILXRZTDVSA-N 1 3 340.468 0.653 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)N[C@@H](C)C2=O)[C@H](C)C1 ZINC000459412734 438966985 /nfs/dbraw/zinc/96/69/85/438966985.db2.gz RPHHANNCBZTRGV-ILXRZTDVSA-N 1 3 340.468 0.653 20 0 ECADHO CCN1CCC[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000517577481 438971031 /nfs/dbraw/zinc/97/10/31/438971031.db2.gz ZYLWIYCMYFCYIO-CVEARBPZSA-N 1 3 326.485 0.863 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000565706130 438971846 /nfs/dbraw/zinc/97/18/46/438971846.db2.gz UTTRQVAUWQNBMK-ZWKOTPCHSA-N 1 3 345.491 0.854 20 0 ECADHO COC(=O)[C@H]1C[C@@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596688891 438990295 /nfs/dbraw/zinc/99/02/95/438990295.db2.gz GHUMVVYPCDUWSY-SOUVJXGZSA-N 1 3 342.484 0.851 20 0 ECADHO COC(=O)[C@H]1C[C@@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596688891 438990298 /nfs/dbraw/zinc/99/02/98/438990298.db2.gz GHUMVVYPCDUWSY-SOUVJXGZSA-N 1 3 342.484 0.851 20 0 ECADHO COc1cnccc1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000566000097 438995716 /nfs/dbraw/zinc/99/57/16/438995716.db2.gz PCRQTDDJJJPTSC-AWEZNQCLSA-N 1 3 349.435 0.300 20 0 ECADHO C[C@@H]1C[C@H](NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@@H+]1C ZINC000518518626 439001194 /nfs/dbraw/zinc/00/11/94/439001194.db2.gz DIYNNFHTEBWLBT-MGPQQGTHSA-N 1 3 331.416 0.716 20 0 ECADHO C[C@@H]1C[C@H](NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC000518518626 439001197 /nfs/dbraw/zinc/00/11/97/439001197.db2.gz DIYNNFHTEBWLBT-MGPQQGTHSA-N 1 3 331.416 0.716 20 0 ECADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)Cn1cccn1 ZINC000519646960 439051170 /nfs/dbraw/zinc/05/11/70/439051170.db2.gz FFNIBVCVZCPZCQ-RBUKOAKNSA-N 1 3 344.459 0.991 20 0 ECADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC[C@@H](O)Cn1cccn1 ZINC000519646960 439051177 /nfs/dbraw/zinc/05/11/77/439051177.db2.gz FFNIBVCVZCPZCQ-RBUKOAKNSA-N 1 3 344.459 0.991 20 0 ECADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000460010918 439055502 /nfs/dbraw/zinc/05/55/02/439055502.db2.gz HOINMACZHZRGNW-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000460010918 439055506 /nfs/dbraw/zinc/05/55/06/439055506.db2.gz HOINMACZHZRGNW-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CCn1ccnc1CN(C(=O)[C@@H](CN)OC)[C@@H]1CC12CC[NH2+]CC2 ZINC000579475242 439011648 /nfs/dbraw/zinc/01/16/48/439011648.db2.gz YLNWVHJFXRMDSJ-ZIAGYGMSSA-N 1 3 335.452 0.347 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000579580868 439020905 /nfs/dbraw/zinc/02/09/05/439020905.db2.gz UEUPAZOBPYXJEZ-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCN(C[C@@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000579700824 439028660 /nfs/dbraw/zinc/02/86/60/439028660.db2.gz NALLODBMWCHVRW-FQEVSTJZSA-N 1 3 346.519 0.980 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000459900031 439028985 /nfs/dbraw/zinc/02/89/85/439028985.db2.gz IKDNNNLIZIODEF-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000459900031 439028995 /nfs/dbraw/zinc/02/89/95/439028995.db2.gz IKDNNNLIZIODEF-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000459897496 439029916 /nfs/dbraw/zinc/02/99/16/439029916.db2.gz GOYINBAQUDWXMV-INIZCTEOSA-N 1 3 340.512 0.975 20 0 ECADHO Nc1cccc(CN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000566245725 439031941 /nfs/dbraw/zinc/03/19/41/439031941.db2.gz QVQVHZWAWRJTSI-DLBZAZTESA-N 1 3 329.448 0.989 20 0 ECADHO CN1CCC(C[NH2+]C[C@H](O)Cc2ccccc2)(N2CCOCC2)CC1 ZINC000519545227 439040831 /nfs/dbraw/zinc/04/08/31/439040831.db2.gz WLLVUMSPGLIDGH-LJQANCHMSA-N 1 3 347.503 0.976 20 0 ECADHO [NH3+][C@@H]1CCC[C@H](NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000580658110 439116488 /nfs/dbraw/zinc/11/64/88/439116488.db2.gz BXLJTPHQFVCVBH-CABCVRRESA-N 1 3 332.452 0.375 20 0 ECADHO N[C@@H]1CCC[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000580658110 439116493 /nfs/dbraw/zinc/11/64/93/439116493.db2.gz BXLJTPHQFVCVBH-CABCVRRESA-N 1 3 332.452 0.375 20 0 ECADHO O=C(CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCNCC1 ZINC000567639151 439158994 /nfs/dbraw/zinc/15/89/94/439158994.db2.gz ZQDPLXQOROAVKS-IPMKNSEASA-N 1 3 342.487 0.918 20 0 ECADHO O=C(CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCNCC1 ZINC000567639151 439158999 /nfs/dbraw/zinc/15/89/99/439158999.db2.gz ZQDPLXQOROAVKS-IPMKNSEASA-N 1 3 342.487 0.918 20 0 ECADHO C[C@H]1CC2(CN1CCNS(=O)(=O)c1cnn(C)c1)CC[NH2+]CC2 ZINC000567890544 439194640 /nfs/dbraw/zinc/19/46/40/439194640.db2.gz DIHHGJHQBFPNKT-ZDUSSCGKSA-N 1 3 341.481 0.162 20 0 ECADHO C[C@H](CN=c1cc(NC[C@H](C)C[NH+](C)C)n2[n-]cnc2n1)C[NH+](C)C ZINC000489005766 439210244 /nfs/dbraw/zinc/21/02/44/439210244.db2.gz CHEZXEPLRBAMHX-KGLIPLIRSA-N 1 3 348.499 0.765 20 0 ECADHO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@@H]1CN1CCCC1 ZINC000581937690 439266183 /nfs/dbraw/zinc/26/61/83/439266183.db2.gz CRWFODREYNCRKC-APWZRJJASA-N 1 3 348.491 0.675 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000592752528 439271890 /nfs/dbraw/zinc/27/18/90/439271890.db2.gz IPGCZFBIUMHOOE-UKRRQHHQSA-N 1 3 325.453 0.718 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000592752528 439271896 /nfs/dbraw/zinc/27/18/96/439271896.db2.gz IPGCZFBIUMHOOE-UKRRQHHQSA-N 1 3 325.453 0.718 20 0 ECADHO CC(C)(C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000582431555 439337030 /nfs/dbraw/zinc/33/70/30/439337030.db2.gz IUOOEILJMMIYLL-ZNMIVQPWSA-N 1 3 330.432 0.483 20 0 ECADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000582087822 439288277 /nfs/dbraw/zinc/28/82/77/439288277.db2.gz BXUBJVYMCHDSFW-ABFRBSLYSA-N 1 3 348.491 0.813 20 0 ECADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000582087822 439288279 /nfs/dbraw/zinc/28/82/79/439288279.db2.gz BXUBJVYMCHDSFW-ABFRBSLYSA-N 1 3 348.491 0.813 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CCSC1 ZINC000582120459 439294528 /nfs/dbraw/zinc/29/45/28/439294528.db2.gz WSUBHMBYQXYKSY-SWLSCSKDSA-N 1 3 338.481 0.197 20 0 ECADHO C[C@H]1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000582136134 439295455 /nfs/dbraw/zinc/29/54/55/439295455.db2.gz BKRKBVAZHUINQA-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000569091388 439303551 /nfs/dbraw/zinc/30/35/51/439303551.db2.gz JXGOZXJVRRUPCB-ZDUSSCGKSA-N 1 3 333.440 0.350 20 0 ECADHO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000569091388 439303556 /nfs/dbraw/zinc/30/35/56/439303556.db2.gz JXGOZXJVRRUPCB-ZDUSSCGKSA-N 1 3 333.440 0.350 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000569699416 439355011 /nfs/dbraw/zinc/35/50/11/439355011.db2.gz YOLJFAFKYRFAJN-HUUCEWRRSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)(CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+]1CCCCC1 ZINC000582616941 439358542 /nfs/dbraw/zinc/35/85/42/439358542.db2.gz IFJARXDQYNUQOC-UONOGXRCSA-N 1 3 337.468 0.204 20 0 ECADHO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc3c(c2)CNCCO3)n1 ZINC000569910203 439373469 /nfs/dbraw/zinc/37/34/69/439373469.db2.gz AFAJTAQBGMXKSF-UHFFFAOYSA-N 1 3 344.419 1.571 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000583018761 439409634 /nfs/dbraw/zinc/40/96/34/439409634.db2.gz RILWJUBESKWXPH-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000570298423 439409761 /nfs/dbraw/zinc/40/97/61/439409761.db2.gz ZMUMHCVVOGQLJU-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000570298423 439409764 /nfs/dbraw/zinc/40/97/64/439409764.db2.gz ZMUMHCVVOGQLJU-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000583133904 439424579 /nfs/dbraw/zinc/42/45/79/439424579.db2.gz ZCUHWQYWJDFIBZ-UHFFFAOYSA-N 1 3 349.479 0.246 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000607419940 439453540 /nfs/dbraw/zinc/45/35/40/439453540.db2.gz DOVJPSQTVBDBNP-RBSFLKMASA-N 1 3 326.485 0.935 20 0 ECADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1nccs1 ZINC000583928418 439528970 /nfs/dbraw/zinc/52/89/70/439528970.db2.gz GUGLNWSDJLGQDY-LBPRGKRZSA-N 1 3 341.481 0.272 20 0 ECADHO O=C(NCCCNCc1cccnc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000584112558 439550935 /nfs/dbraw/zinc/55/09/35/439550935.db2.gz UUYUTWHGDFKNPS-AWEZNQCLSA-N 1 3 328.420 0.791 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000584359847 439580644 /nfs/dbraw/zinc/58/06/44/439580644.db2.gz PIYDEPUTQOJNMP-UHFFFAOYSA-N 1 3 337.468 0.410 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000584530340 439599302 /nfs/dbraw/zinc/59/93/02/439599302.db2.gz WJUWRFWVURQQHH-IHRRRGAJSA-N 1 3 326.485 0.855 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)[C@H](C[NH3+])CCC4)CCN2C1=O ZINC000594880766 439639193 /nfs/dbraw/zinc/63/91/93/439639193.db2.gz XKJMXUMZSGMZGC-ZMSDIMECSA-N 1 3 342.443 0.449 20 0 ECADHO COC[C@]1(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CCC[NH2+]1 ZINC000573562443 439653332 /nfs/dbraw/zinc/65/33/32/439653332.db2.gz IHIBQZGUJUGHGH-NSNWQYSKSA-N 1 3 325.453 0.404 20 0 ECADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000573609989 439656479 /nfs/dbraw/zinc/65/64/79/439656479.db2.gz PPDGNLMXOAXDTI-BMFZPTHFSA-N 1 3 336.480 0.420 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000573665921 439659823 /nfs/dbraw/zinc/65/98/23/439659823.db2.gz HRPBAWNWCCOIOF-OKILXGFUSA-N 1 3 346.431 0.373 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000573983182 439678818 /nfs/dbraw/zinc/67/88/18/439678818.db2.gz MZSVKRXAQKNZSS-JYJNAYRXSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[C@@H]1N1CCN(C)CC1 ZINC000612980282 439748050 /nfs/dbraw/zinc/74/80/50/439748050.db2.gz OLNKPDVJMSSGHK-IXDOHACOSA-N 1 3 349.523 0.796 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000611838359 439731606 /nfs/dbraw/zinc/73/16/06/439731606.db2.gz JTAFJZSUTQLSCX-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000611838359 439731609 /nfs/dbraw/zinc/73/16/09/439731609.db2.gz JTAFJZSUTQLSCX-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000611838359 439731612 /nfs/dbraw/zinc/73/16/12/439731612.db2.gz JTAFJZSUTQLSCX-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO [NH3+]CCCNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612914381 439745539 /nfs/dbraw/zinc/74/55/39/439745539.db2.gz KOHSGMCYXSKFOY-ZDUSSCGKSA-N 1 3 335.456 0.057 20 0 ECADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662637871 439828243 /nfs/dbraw/zinc/82/82/43/439828243.db2.gz KCOCBVLOKYGHMA-HKUYNNGSSA-N 1 3 344.459 0.646 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652486183 439867270 /nfs/dbraw/zinc/86/72/70/439867270.db2.gz NIOHERRXYFNMGS-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000662684526 439845267 /nfs/dbraw/zinc/84/52/67/439845267.db2.gz DMHHCGRIDYTVII-UONOGXRCSA-N 1 3 327.494 0.828 20 0 ECADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])ccc2oc1=O ZINC000662701121 439851492 /nfs/dbraw/zinc/85/14/92/439851492.db2.gz MAWCPNNLTVUSMN-IUODEOHRSA-N 1 3 348.403 0.458 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000662716693 439857970 /nfs/dbraw/zinc/85/79/70/439857970.db2.gz VISZLTLVDLVWLI-MSOLQXFVSA-N 1 3 347.459 0.623 20 0 ECADHO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652700931 439929793 /nfs/dbraw/zinc/92/97/93/439929793.db2.gz WVAGBGJOMXUCJC-UONOGXRCSA-N 1 3 340.468 0.160 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1cccnc1 ZINC000617506208 439899383 /nfs/dbraw/zinc/89/93/83/439899383.db2.gz FOFLTFJRGSHTDI-AWEZNQCLSA-N 1 3 335.452 0.200 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1cccnc1 ZINC000617506208 439899388 /nfs/dbraw/zinc/89/93/88/439899388.db2.gz FOFLTFJRGSHTDI-AWEZNQCLSA-N 1 3 335.452 0.200 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2c(cnn2C)c1 ZINC000617505833 439901924 /nfs/dbraw/zinc/90/19/24/439901924.db2.gz RJQBMSWMFMCWLD-ZDUSSCGKSA-N 1 3 332.452 0.970 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2c(cnn2C)c1 ZINC000617505833 439901932 /nfs/dbraw/zinc/90/19/32/439901932.db2.gz RJQBMSWMFMCWLD-ZDUSSCGKSA-N 1 3 332.452 0.970 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1nnc2c1CCCC2 ZINC000617508146 439903977 /nfs/dbraw/zinc/90/39/77/439903977.db2.gz UNWVVRKSQQWBKZ-AWEZNQCLSA-N 1 3 336.484 0.545 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1nnc2c1CCCC2 ZINC000617508146 439903986 /nfs/dbraw/zinc/90/39/86/439903986.db2.gz UNWVVRKSQQWBKZ-AWEZNQCLSA-N 1 3 336.484 0.545 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cnnn1C1CC[NH2+]CC1 ZINC000662836129 439909722 /nfs/dbraw/zinc/90/97/22/439909722.db2.gz WJMIKBKAGOKHMZ-LSDHHAIUSA-N 1 3 332.452 0.949 20 0 ECADHO CCN(CCN)C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000626854259 439915695 /nfs/dbraw/zinc/91/56/95/439915695.db2.gz HQMLLUUMGQPFPU-UHFFFAOYSA-N 1 3 336.436 0.763 20 0 ECADHO CC1(OCC(=O)NCC2CCN(Cc3ccncc3)CC2)C[NH2+]C1 ZINC000662860444 439918011 /nfs/dbraw/zinc/91/80/11/439918011.db2.gz ZCEYTAGDZZBFPM-UHFFFAOYSA-N 1 3 332.448 0.788 20 0 ECADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000662954155 439968219 /nfs/dbraw/zinc/96/82/19/439968219.db2.gz LXLMQCXQPMQSCQ-DLBZAZTESA-N 1 3 344.459 0.321 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642330596 439972084 /nfs/dbraw/zinc/97/20/84/439972084.db2.gz ZZXJRZNWAOSGNU-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642330491 439973963 /nfs/dbraw/zinc/97/39/63/439973963.db2.gz MQUGFKIOVYRRLX-XUWVNRHRSA-N 1 3 338.496 0.727 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)NCCOCCC[NH3+])CC1 ZINC000626972176 439975752 /nfs/dbraw/zinc/97/57/52/439975752.db2.gz YQZQUSUXZDQOCA-UHFFFAOYSA-N 1 3 330.473 0.540 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000658523184 439976886 /nfs/dbraw/zinc/97/68/86/439976886.db2.gz IPIYFGFCNOBOJA-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000658523184 439976891 /nfs/dbraw/zinc/97/68/91/439976891.db2.gz IPIYFGFCNOBOJA-UHFFFAOYSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000642439757 439981221 /nfs/dbraw/zinc/98/12/21/439981221.db2.gz OHSWTVTYZWWYOT-KLHDSHLOSA-N 1 3 336.480 0.481 20 0 ECADHO CN(C)[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000626922359 439960872 /nfs/dbraw/zinc/96/08/72/439960872.db2.gz UZGZJPQPBPZQRQ-MRXNPFEDSA-N 1 3 334.464 0.966 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019532 439991251 /nfs/dbraw/zinc/99/12/51/439991251.db2.gz SXZNWXIJUGOMMX-OAHLLOKOSA-N 1 3 348.495 0.867 20 0 ECADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017745 439992912 /nfs/dbraw/zinc/99/29/12/439992912.db2.gz KSKXUQBROMNHSB-CZUORRHYSA-N 1 3 346.479 0.523 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663018677 439993027 /nfs/dbraw/zinc/99/30/27/439993027.db2.gz QGZPAHLWAZUXPS-OAHLLOKOSA-N 1 3 348.495 0.866 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000631949118 440005595 /nfs/dbraw/zinc/00/55/95/440005595.db2.gz XYGCQSPPLIXLLB-RRFJBIMHSA-N 1 3 333.498 0.629 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000631954864 440010792 /nfs/dbraw/zinc/01/07/92/440010792.db2.gz YRQOIWHBRLJODP-QWRGUYRKSA-N 1 3 331.404 0.727 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)C[NH2+]1 ZINC000627007497 439987414 /nfs/dbraw/zinc/98/74/14/439987414.db2.gz ZSEUNQDVMXENIL-ZFWWWQNUSA-N 1 3 335.452 0.962 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642920693 440065849 /nfs/dbraw/zinc/06/58/49/440065849.db2.gz HHNNMKCMCIWCCL-UHFFFAOYSA-N 1 3 333.436 0.235 20 0 ECADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653152109 440084173 /nfs/dbraw/zinc/08/41/73/440084173.db2.gz AVKGFYXUHPMICB-YJBOKZPZSA-N 1 3 330.432 0.650 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C[NH2+]1 ZINC000627201458 440042607 /nfs/dbraw/zinc/04/26/07/440042607.db2.gz HUAKMFGMSVDUDP-NCOADZHNSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@@H]1C[C@@H](NS(=O)(=O)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000632029775 440050365 /nfs/dbraw/zinc/05/03/65/440050365.db2.gz JIOMWRJVYXPRBB-CABCVRRESA-N 1 3 332.514 0.026 20 0 ECADHO C[C@@H]1C[C@@H](NS(=O)(=O)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC000632029775 440050371 /nfs/dbraw/zinc/05/03/71/440050371.db2.gz JIOMWRJVYXPRBB-CABCVRRESA-N 1 3 332.514 0.026 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000663615368 440120672 /nfs/dbraw/zinc/12/06/72/440120672.db2.gz ILIWOFRZIDOKTL-QGZVFWFLSA-N 1 3 334.420 0.434 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000627335164 440129589 /nfs/dbraw/zinc/12/95/89/440129589.db2.gz NMARGHTYXKAKNN-HNNXBMFYSA-N 1 3 334.464 0.820 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000627335164 440129594 /nfs/dbraw/zinc/12/95/94/440129594.db2.gz NMARGHTYXKAKNN-HNNXBMFYSA-N 1 3 334.464 0.820 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000637019988 440133219 /nfs/dbraw/zinc/13/32/19/440133219.db2.gz QUOXKQZXTBEMPS-GOEBONIOSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000637019988 440133229 /nfs/dbraw/zinc/13/32/29/440133229.db2.gz QUOXKQZXTBEMPS-GOEBONIOSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000637019989 440134188 /nfs/dbraw/zinc/13/41/88/440134188.db2.gz QUOXKQZXTBEMPS-HOCLYGCPSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000637019989 440134194 /nfs/dbraw/zinc/13/41/94/440134194.db2.gz QUOXKQZXTBEMPS-HOCLYGCPSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000627292124 440100908 /nfs/dbraw/zinc/10/09/08/440100908.db2.gz MAGBTZNOXLFGGY-IXDOHACOSA-N 1 3 346.475 0.532 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)N1CCN(C)CC1 ZINC000663562331 440102211 /nfs/dbraw/zinc/10/22/11/440102211.db2.gz ZFVUYUUWORXKAO-CVEARBPZSA-N 1 3 327.517 0.898 20 0 ECADHO CN(CCC(=O)N1CCc2sccc2C1)CCN1CC[NH2+]CC1 ZINC000647835571 440165256 /nfs/dbraw/zinc/16/52/56/440165256.db2.gz CHUFVZNPWZVYPG-UHFFFAOYSA-N 1 3 336.505 0.860 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CN1C1CC1 ZINC000653426298 440167067 /nfs/dbraw/zinc/16/70/67/440167067.db2.gz NYRPDJGIDNLBHW-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CCO1 ZINC000647865368 440174739 /nfs/dbraw/zinc/17/47/39/440174739.db2.gz HNXXZTDYHUONTG-UAGQMJEPSA-N 1 3 334.464 0.454 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCCCC3)C[C@H]12 ZINC000643494598 440187385 /nfs/dbraw/zinc/18/73/85/440187385.db2.gz HWCNBMOKTQZJBK-LTIDMASMSA-N 1 3 348.491 0.659 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000643504107 440191010 /nfs/dbraw/zinc/19/10/10/440191010.db2.gz BCPVRQHELFDMIQ-MRXNPFEDSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H](CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[NH+](C)C ZINC000663915717 440194438 /nfs/dbraw/zinc/19/44/38/440194438.db2.gz HZGCJOXRNISORI-CABCVRRESA-N 1 3 341.500 0.569 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000627425785 440195187 /nfs/dbraw/zinc/19/51/87/440195187.db2.gz ZQNDVBBXKYDMHZ-KFWWJZLASA-N 1 3 334.464 0.520 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000627364657 440153908 /nfs/dbraw/zinc/15/39/08/440153908.db2.gz UVMZOEWVPCIGIR-GJZGRUSLSA-N 1 3 326.485 0.668 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000643530074 440200425 /nfs/dbraw/zinc/20/04/25/440200425.db2.gz IJUNSUWTXDEGNB-JYJNAYRXSA-N 1 3 348.491 0.659 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000643531839 440202100 /nfs/dbraw/zinc/20/21/00/440202100.db2.gz PBQRPTUJMRNRRX-IRXDYDNUSA-N 1 3 344.459 0.669 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000627440589 440206130 /nfs/dbraw/zinc/20/61/30/440206130.db2.gz OJQBUFTWWREEBA-HOTGVXAUSA-N 1 3 348.491 0.864 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000643545282 440207871 /nfs/dbraw/zinc/20/78/71/440207871.db2.gz VTLWQZBFDILZLI-QXSJWSMHSA-N 1 3 336.480 0.657 20 0 ECADHO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000659021351 440208429 /nfs/dbraw/zinc/20/84/29/440208429.db2.gz VYAAQAWCTCCGHI-UHFFFAOYSA-N 1 3 348.451 0.211 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000648158219 440248689 /nfs/dbraw/zinc/24/86/89/440248689.db2.gz LPZIKADYSCOSPV-KRWDZBQOSA-N 1 3 347.463 0.514 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000664189920 440254019 /nfs/dbraw/zinc/25/40/19/440254019.db2.gz BLUSOYSNFDGKCG-KKUMJFAQSA-N 1 3 341.500 0.602 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000664189920 440254023 /nfs/dbraw/zinc/25/40/23/440254023.db2.gz BLUSOYSNFDGKCG-KKUMJFAQSA-N 1 3 341.500 0.602 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000659102797 440250760 /nfs/dbraw/zinc/25/07/60/440250760.db2.gz IPAISZRZLREPPC-UONOGXRCSA-N 1 3 345.447 0.437 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCN(C)C1=O ZINC000664313566 440287241 /nfs/dbraw/zinc/28/72/41/440287241.db2.gz QEVWZAXWSIZARX-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCN(C)C1=O ZINC000664313566 440287248 /nfs/dbraw/zinc/28/72/48/440287248.db2.gz QEVWZAXWSIZARX-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664406532 440305992 /nfs/dbraw/zinc/30/59/92/440305992.db2.gz SXTGHXWMYFCERR-HOCLYGCPSA-N 1 3 325.501 0.652 20 0 ECADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654399865 440309995 /nfs/dbraw/zinc/30/99/95/440309995.db2.gz UEKSPEQHJFHQAJ-OVYGPGRDSA-N 1 3 338.496 0.813 20 0 ECADHO CO[C@](C)(CO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000654413383 440311871 /nfs/dbraw/zinc/31/18/71/440311871.db2.gz SEURENDKEKVROT-KRWDZBQOSA-N 1 3 342.484 0.242 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NC3CC[NH2+]CC3)ccc2[nH]c1=O ZINC000637797227 440339074 /nfs/dbraw/zinc/33/90/74/440339074.db2.gz APTHBBVXRZTVMQ-UHFFFAOYSA-N 1 3 331.420 0.785 20 0 ECADHO CN(C)CCn1c2cc(C(=O)NC[C@@H]3CCC[NH2+]3)ccc2[nH]c1=O ZINC000637827924 440345969 /nfs/dbraw/zinc/34/59/69/440345969.db2.gz WLIAQBOIWBWOSX-ZDUSSCGKSA-N 1 3 331.420 0.785 20 0 ECADHO C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000659510020 440350930 /nfs/dbraw/zinc/35/09/30/440350930.db2.gz JHJIJFUKOOIIIP-UONOGXRCSA-N 1 3 327.473 0.036 20 0 ECADHO [NH3+][C@@H](CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC1 ZINC000659527446 440357211 /nfs/dbraw/zinc/35/72/11/440357211.db2.gz LBAMOBLLWKSZLL-SJORKVTESA-N 1 3 332.448 0.790 20 0 ECADHO [NH3+]C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCC1 ZINC000659572582 440367236 /nfs/dbraw/zinc/36/72/36/440367236.db2.gz XZHHOFZGDOCNOE-UHFFFAOYSA-N 1 3 337.468 0.208 20 0 ECADHO N[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[C@H]1F ZINC000659470660 440336394 /nfs/dbraw/zinc/33/63/94/440336394.db2.gz GGTLDTWEFIPFOX-LVQVYYBASA-N 1 3 342.459 0.835 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659681303 440417802 /nfs/dbraw/zinc/41/78/02/440417802.db2.gz SZKFVFQRQISBBJ-WRSVWVKZSA-N 1 3 336.480 0.481 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638076718 440426145 /nfs/dbraw/zinc/42/61/45/440426145.db2.gz MJQHDLVJCXHCIE-LLVKDONJSA-N 1 3 342.394 0.964 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCNCC2(C)C)CC1=O ZINC000649273812 440426648 /nfs/dbraw/zinc/42/66/48/440426648.db2.gz LWCWWNUEUYLVJN-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCNCC2(C)C)CC1=O ZINC000649273812 440426650 /nfs/dbraw/zinc/42/66/50/440426650.db2.gz LWCWWNUEUYLVJN-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)CCO1 ZINC000649274672 440427511 /nfs/dbraw/zinc/42/75/11/440427511.db2.gz UKBSEIDYZKGZNG-CABCVRRESA-N 1 3 325.453 0.596 20 0 ECADHO CC(C)C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)C(=O)NCCN(C)C ZINC000659615015 440374692 /nfs/dbraw/zinc/37/46/92/440374692.db2.gz GNYDOCQESZMZJF-UUCFBXCCSA-N 1 3 339.484 0.130 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000659629521 440382180 /nfs/dbraw/zinc/38/21/80/440382180.db2.gz WBTKAWOEQAIJAQ-ZDUSSCGKSA-N 1 3 334.424 0.315 20 0 ECADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649268887 440428499 /nfs/dbraw/zinc/42/84/99/440428499.db2.gz FZRJQOVCNWGHIG-HIFRSBDPSA-N 1 3 348.447 0.221 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[NH2+]1 ZINC000633010129 440407030 /nfs/dbraw/zinc/40/70/30/440407030.db2.gz HERWQWHTRRBUOM-QWHCGFSZSA-N 1 3 348.451 0.345 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000659673349 440407869 /nfs/dbraw/zinc/40/78/69/440407869.db2.gz BDXAPKCLTZSASL-DLBZAZTESA-N 1 3 348.491 0.765 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH2+]C)C1 ZINC000659729607 440467781 /nfs/dbraw/zinc/46/77/81/440467781.db2.gz TWNVRRZTFCYFHS-INIZCTEOSA-N 1 3 332.448 0.623 20 0 ECADHO CC1(OCC(=O)NCC2([NH+]3CCCCC3)CCOCC2)CNC1 ZINC000649333679 440468815 /nfs/dbraw/zinc/46/88/15/440468815.db2.gz MXYQIMALSWOTSP-UHFFFAOYSA-N 1 3 325.453 0.516 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)COC2(C)CNC2)[C@H](C)C1 ZINC000649334450 440470550 /nfs/dbraw/zinc/47/05/50/440470550.db2.gz JILNSRKGLIGOSV-CABCVRRESA-N 1 3 327.469 0.618 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)COC2(C)CNC2)[C@H](C)C1 ZINC000649334450 440470553 /nfs/dbraw/zinc/47/05/53/440470553.db2.gz JILNSRKGLIGOSV-CABCVRRESA-N 1 3 327.469 0.618 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000638092559 440432411 /nfs/dbraw/zinc/43/24/11/440432411.db2.gz JSQUKDNVRJVOBY-SJORKVTESA-N 1 3 333.432 0.946 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633079160 440433311 /nfs/dbraw/zinc/43/33/11/440433311.db2.gz TUBBYYSQXZYMSB-OAHLLOKOSA-N 1 3 326.485 0.763 20 0 ECADHO CN(C)C1(CNC(=O)[C@@]2(C[NH3+])CCCOC2)Cc2ccccc2C1 ZINC000638120868 440447690 /nfs/dbraw/zinc/44/76/90/440447690.db2.gz GSWYUJPRXYPZRD-GOSISDBHSA-N 1 3 331.460 0.957 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000659713940 440448783 /nfs/dbraw/zinc/44/87/83/440448783.db2.gz RRGACDKGWXXYHP-GJZGRUSLSA-N 1 3 332.448 0.792 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000659713940 440448787 /nfs/dbraw/zinc/44/87/87/440448787.db2.gz RRGACDKGWXXYHP-GJZGRUSLSA-N 1 3 332.448 0.792 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)[C@]2(COC)CCCC[NH2+]2)CC1 ZINC000638136542 440456520 /nfs/dbraw/zinc/45/65/20/440456520.db2.gz IKKRYOGNNLYDFC-DOTOQJQBSA-N 1 3 326.485 0.287 20 0 ECADHO C[C@@H](NC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C)C1CC[NH+](C)CC1 ZINC000644165586 440457023 /nfs/dbraw/zinc/45/70/23/440457023.db2.gz CCXNWZZWKGOIJF-IIAWOOMASA-N 1 3 326.485 0.813 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638136746 440457351 /nfs/dbraw/zinc/45/73/51/440457351.db2.gz AQFKVHDZGDLRMZ-HLLBOEOZSA-N 1 3 326.485 0.143 20 0 ECADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659722451 440458990 /nfs/dbraw/zinc/45/89/90/440458990.db2.gz FHAVPHZBJFAUNG-RBSFLKMASA-N 1 3 336.480 0.753 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659721631 440459586 /nfs/dbraw/zinc/45/95/86/440459586.db2.gz KAWUGPNYRXRKRQ-FMKPAKJESA-N 1 3 336.480 0.624 20 0 ECADHO CCN1CCN(CCCCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638138050 440459639 /nfs/dbraw/zinc/45/96/39/440459639.db2.gz UNBVZXYSGQLBNQ-KRWDZBQOSA-N 1 3 326.485 0.276 20 0 ECADHO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2OCCN[C@H]2C1 ZINC000638227153 440484360 /nfs/dbraw/zinc/48/43/60/440484360.db2.gz OBLJGRYNYHCWNS-YESZJQIVSA-N 1 3 332.448 0.035 20 0 ECADHO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2OCCN[C@H]2C1 ZINC000638227153 440484362 /nfs/dbraw/zinc/48/43/62/440484362.db2.gz OBLJGRYNYHCWNS-YESZJQIVSA-N 1 3 332.448 0.035 20 0 ECADHO COC[C@@]1(CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000638231116 440484444 /nfs/dbraw/zinc/48/44/44/440484444.db2.gz NKMYWAIOEIUVSE-WMZOPIPTSA-N 1 3 334.464 0.331 20 0 ECADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CNCCC3(F)F)CC2)C1 ZINC000649352978 440485235 /nfs/dbraw/zinc/48/52/35/440485235.db2.gz ZNODBAXHLKTCIQ-KBPBESRZSA-N 1 3 330.423 0.470 20 0 ECADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CNCCC3(F)F)CC2)C1 ZINC000649352978 440485238 /nfs/dbraw/zinc/48/52/38/440485238.db2.gz ZNODBAXHLKTCIQ-KBPBESRZSA-N 1 3 330.423 0.470 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)nn1 ZINC000638339004 440515407 /nfs/dbraw/zinc/51/54/07/440515407.db2.gz BZZFXFWPCRLBOY-OAHLLOKOSA-N 1 3 332.452 0.776 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)C1CCOCC1 ZINC000665761151 440524938 /nfs/dbraw/zinc/52/49/38/440524938.db2.gz YSMGQSKERYRXCC-HOCLYGCPSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)C1CCOCC1 ZINC000665761151 440524945 /nfs/dbraw/zinc/52/49/45/440524945.db2.gz YSMGQSKERYRXCC-HOCLYGCPSA-N 1 3 344.500 0.345 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCN1CC=CCC1 ZINC000665763019 440525843 /nfs/dbraw/zinc/52/58/43/440525843.db2.gz XIPHTVZZXVEAGC-INIZCTEOSA-N 1 3 325.501 0.820 20 0 ECADHO COC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@H](C)O1 ZINC000665761761 440525864 /nfs/dbraw/zinc/52/58/64/440525864.db2.gz PFKSAHKHELBBPW-HRCADAONSA-N 1 3 344.500 0.704 20 0 ECADHO COC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@H](C)O1 ZINC000665761761 440525869 /nfs/dbraw/zinc/52/58/69/440525869.db2.gz PFKSAHKHELBBPW-HRCADAONSA-N 1 3 344.500 0.704 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)C[C@H]1C ZINC000665758611 440526958 /nfs/dbraw/zinc/52/69/58/440526958.db2.gz KTSBYVZSVMTZGF-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)C[C@H]1C ZINC000665758611 440526966 /nfs/dbraw/zinc/52/69/66/440526966.db2.gz KTSBYVZSVMTZGF-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000665763805 440528448 /nfs/dbraw/zinc/52/84/48/440528448.db2.gz MGQBTWWVZJJHPY-JKSUJKDBSA-N 1 3 327.517 0.994 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000665763894 440531052 /nfs/dbraw/zinc/53/10/52/440531052.db2.gz OEHQAXMNKGDDPH-KFWWJZLASA-N 1 3 328.501 0.917 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000665763894 440531059 /nfs/dbraw/zinc/53/10/59/440531059.db2.gz OEHQAXMNKGDDPH-KFWWJZLASA-N 1 3 328.501 0.917 20 0 ECADHO [NH3+]C[C@]1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CCCOC1 ZINC000638405439 440531502 /nfs/dbraw/zinc/53/15/02/440531502.db2.gz CPCCOISSCOXIEW-PKOBYXMFSA-N 1 3 347.459 0.625 20 0 ECADHO CC(C)CNC(=O)CCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000660056524 440584923 /nfs/dbraw/zinc/58/49/23/440584923.db2.gz OQSRZMIEVIAGAA-UHFFFAOYSA-N 1 3 340.512 0.929 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000634122022 440609126 /nfs/dbraw/zinc/60/91/26/440609126.db2.gz OMMDAXXUYJUPGL-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655923812 440647219 /nfs/dbraw/zinc/64/72/19/440647219.db2.gz BYXOPVPFCZWMBD-GHMZBOCLSA-N 1 3 325.379 0.201 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1(C)C ZINC000655929854 440649065 /nfs/dbraw/zinc/64/90/65/440649065.db2.gz WZZADYNRJSHUJZ-JTQLQIEISA-N 1 3 325.379 0.201 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000655974829 440665143 /nfs/dbraw/zinc/66/51/43/440665143.db2.gz RELOXUWZJQSASB-BBWFWOEESA-N 1 3 335.496 0.692 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020705 440666230 /nfs/dbraw/zinc/66/62/30/440666230.db2.gz LCILDDDBZMVYOK-JKSUJKDBSA-N 1 3 327.469 0.572 20 0 ECADHO COCCC[NH+]1CCC(NC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000644540807 440639497 /nfs/dbraw/zinc/63/94/97/440639497.db2.gz CGATZDCVQMDVPJ-SOLBZPMBSA-N 1 3 343.512 0.547 20 0 ECADHO C[C@H](C[NH2+]C[C@H](O)CN(C)Cc1ccccc1)CN1CCN(C)CC1 ZINC000644562717 440644502 /nfs/dbraw/zinc/64/45/02/440644502.db2.gz MEDWRMLHHINSPN-QUCCMNQESA-N 1 3 348.535 0.952 20 0 ECADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C3CC3)C2)CC1 ZINC000634704870 440691630 /nfs/dbraw/zinc/69/16/30/440691630.db2.gz QPSBGZMNTSDPDC-SZMVWBNQSA-N 1 3 325.497 0.657 20 0 ECADHO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000634709818 440694911 /nfs/dbraw/zinc/69/49/11/440694911.db2.gz ONAXVXDHQDAFEE-UHOSZYNNSA-N 1 3 333.476 0.932 20 0 ECADHO C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000634709818 440694915 /nfs/dbraw/zinc/69/49/15/440694915.db2.gz ONAXVXDHQDAFEE-UHOSZYNNSA-N 1 3 333.476 0.932 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656028195 440698032 /nfs/dbraw/zinc/69/80/32/440698032.db2.gz ILLDXGDNTORCQR-FZKCQIBNSA-N 1 3 336.480 0.848 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000656029065 440699218 /nfs/dbraw/zinc/69/92/18/440699218.db2.gz UZFBEUBDFYEQTD-OAGGEKHMSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656303213 440754892 /nfs/dbraw/zinc/75/48/92/440754892.db2.gz HNSXFXHAFTVLNT-FPCVCCKLSA-N 1 3 338.496 0.679 20 0 ECADHO O=C(NC[C@H]1CCCN(CCOC2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC000629516915 440716848 /nfs/dbraw/zinc/71/68/48/440716848.db2.gz UIOLYJBBVMAUJH-NVXWUHKLSA-N 1 3 339.480 0.762 20 0 ECADHO C[C@H](NCCOCCC[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000629535249 440720346 /nfs/dbraw/zinc/72/03/46/440720346.db2.gz DDRBAAXXUPWZDU-ZDUSSCGKSA-N 1 3 329.466 0.953 20 0 ECADHO CS(=O)(=O)NC1(C[NH2+]C[C@H](O)CN2CCCC2)CCCCC1 ZINC000629554819 440726357 /nfs/dbraw/zinc/72/63/57/440726357.db2.gz SSXHXZFLAOSKTR-AWEZNQCLSA-N 1 3 333.498 0.285 20 0 ECADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000635006256 440730473 /nfs/dbraw/zinc/73/04/73/440730473.db2.gz YCDFCZLNNPDIJD-GFCCVEGCSA-N 1 3 326.466 0.925 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656306195 440759171 /nfs/dbraw/zinc/75/91/71/440759171.db2.gz IZOVPABMSQFSNY-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656306195 440759177 /nfs/dbraw/zinc/75/91/77/440759177.db2.gz IZOVPABMSQFSNY-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656325526 440769875 /nfs/dbraw/zinc/76/98/75/440769875.db2.gz UNAQYGJFKDLESV-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656325526 440769878 /nfs/dbraw/zinc/76/98/78/440769878.db2.gz UNAQYGJFKDLESV-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000639757308 440786329 /nfs/dbraw/zinc/78/63/29/440786329.db2.gz FOSWWRAMYBDWMI-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(C(=O)NCCN(C)C)CC1 ZINC000656697119 440836282 /nfs/dbraw/zinc/83/62/82/440836282.db2.gz PKHXGXWBELOXFY-MRXNPFEDSA-N 1 3 328.501 0.077 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(C(=O)NCCN(C)C)CC1 ZINC000656697119 440836288 /nfs/dbraw/zinc/83/62/88/440836288.db2.gz PKHXGXWBELOXFY-MRXNPFEDSA-N 1 3 328.501 0.077 20 0 ECADHO CN(C)CCn1cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cn1 ZINC000630934972 440987172 /nfs/dbraw/zinc/98/71/72/440987172.db2.gz FFRAVOBKEZINOZ-UHFFFAOYSA-N 1 3 349.479 0.820 20 0 ECADHO CN(C[C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1)S(C)(=O)=O ZINC000662283154 441000947 /nfs/dbraw/zinc/00/09/47/441000947.db2.gz RIVPGPDNWIALFQ-KGLIPLIRSA-N 1 3 331.482 0.111 20 0 ECADHO CCN1CCC(NC(=O)CN2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662315744 441009039 /nfs/dbraw/zinc/00/90/39/441009039.db2.gz GZXODOLMPMPJQP-KRWDZBQOSA-N 1 3 340.512 0.630 20 0 ECADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])C1 ZINC000662313314 441010637 /nfs/dbraw/zinc/01/06/37/441010637.db2.gz KJLFVZJFHVSVTK-HYVNUMGLSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652149191 441018433 /nfs/dbraw/zinc/01/84/33/441018433.db2.gz VRSMNZANGFGUEZ-UHFFFAOYSA-N 1 3 339.484 0.357 20 0 ECADHO CC(C)[C@H](C(=O)N[C@H](C)C(=O)NCCN1CCCCC1)[C@@H](C)[NH3+] ZINC000646557885 441074769 /nfs/dbraw/zinc/07/47/69/441074769.db2.gz AVPWINFOHTVUAO-KFWWJZLASA-N 1 3 326.485 0.713 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662438448 441041067 /nfs/dbraw/zinc/04/10/67/441041067.db2.gz SJCCGSHPMNKMMS-WBVHZDCISA-N 1 3 344.459 0.925 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662438448 441041075 /nfs/dbraw/zinc/04/10/75/441041075.db2.gz SJCCGSHPMNKMMS-WBVHZDCISA-N 1 3 344.459 0.925 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C[C@H](C)O1 ZINC000652345789 441057572 /nfs/dbraw/zinc/05/75/72/441057572.db2.gz LXLYCXTWBLHPRS-QEOTZNIISA-N 1 3 339.480 0.841 20 0 ECADHO COC[C@H](CC1CCOCC1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000657870715 441079970 /nfs/dbraw/zinc/07/99/70/441079970.db2.gz DQQUMBTUWVFGML-IRXDYDNUSA-N 1 3 341.496 0.995 20 0 ECADHO COC[C@H](CC1CCOCC1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000657870715 441079973 /nfs/dbraw/zinc/07/99/73/441079973.db2.gz DQQUMBTUWVFGML-IRXDYDNUSA-N 1 3 341.496 0.995 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000339670927 320995441 /nfs/dbraw/zinc/99/54/41/320995441.db2.gz NFVVMLNDZAVTOT-CYBMUJFWSA-N 1 3 326.485 0.679 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)NC2CCN(CC)CC2)CC1 ZINC000339673807 320996058 /nfs/dbraw/zinc/99/60/58/320996058.db2.gz ZZUMNVGRRXGKBO-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)[NH+](C)C ZINC000340229483 321025863 /nfs/dbraw/zinc/02/58/63/321025863.db2.gz WBTRDEPUNJFXAZ-INIZCTEOSA-N 1 3 328.501 0.079 20 0 ECADHO CCN(CCNC(=O)NCCN1CCC([NH+](C)C)CC1)C1CC1 ZINC000340247789 321028654 /nfs/dbraw/zinc/02/86/54/321028654.db2.gz CTPYAGSOHKTHSN-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000340267348 321033197 /nfs/dbraw/zinc/03/31/97/321033197.db2.gz OQGIUDAKKQTBGH-OWCLPIDISA-N 1 3 338.496 0.966 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000343312276 321132503 /nfs/dbraw/zinc/13/25/03/321132503.db2.gz OSFNEFAJHCFQNA-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000344417418 321150698 /nfs/dbraw/zinc/15/06/98/321150698.db2.gz GWEBJKHEWUUWRX-HNNXBMFYSA-N 1 3 326.485 0.491 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000344417418 321150699 /nfs/dbraw/zinc/15/06/99/321150699.db2.gz GWEBJKHEWUUWRX-HNNXBMFYSA-N 1 3 326.485 0.491 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC[NH+]1CCCC1 ZINC000349051383 321296040 /nfs/dbraw/zinc/29/60/40/321296040.db2.gz JMWQAPUJSADEGC-MRXNPFEDSA-N 1 3 325.501 0.798 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000349903463 321317931 /nfs/dbraw/zinc/31/79/31/321317931.db2.gz GKMPNERUGVTODT-OAHLLOKOSA-N 1 3 328.457 0.117 20 0 ECADHO CN1CCC(CNC(=O)C(N)C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000353501930 321395606 /nfs/dbraw/zinc/39/56/06/321395606.db2.gz BGHGSZBHLFENFE-GFCCVEGCSA-N 1 3 336.402 0.943 20 0 ECADHO C[C@H]1CN(CCC2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000372911963 321791177 /nfs/dbraw/zinc/79/11/77/321791177.db2.gz NTZGVXKOQPINDR-NXNVCVFFSA-N 1 3 339.480 0.447 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000535430683 322079818 /nfs/dbraw/zinc/07/98/18/322079818.db2.gz UCFPUVLOHCROFM-RHSMWYFYSA-N 1 3 337.512 0.794 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000535430682 322079836 /nfs/dbraw/zinc/07/98/36/322079836.db2.gz UCFPUVLOHCROFM-PBHICJAKSA-N 1 3 337.512 0.794 20 0 ECADHO COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000545177051 322106313 /nfs/dbraw/zinc/10/63/13/322106313.db2.gz ZRAYTJUJFPEVMJ-KRWDZBQOSA-N 1 3 342.484 0.242 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000557013335 322202403 /nfs/dbraw/zinc/20/24/03/322202403.db2.gz KDLHAFBDPWFAQL-WFASDCNBSA-N 1 3 348.447 0.810 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000561198673 322255986 /nfs/dbraw/zinc/25/59/86/322255986.db2.gz GGJKGYARHBFTMP-KBAYOESNSA-N 1 3 345.491 0.934 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC(C)C[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000561770162 322263723 /nfs/dbraw/zinc/26/37/23/322263723.db2.gz FZIBBNPRNLBWFC-VGWMRTNUSA-N 1 3 340.512 0.781 20 0 ECADHO CC[NH+]1CCC(CNC(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000562661577 322280446 /nfs/dbraw/zinc/28/04/46/322280446.db2.gz OFVMCQBUVQOOPC-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000562958137 322289630 /nfs/dbraw/zinc/28/96/30/322289630.db2.gz PRBLLTRUHQZDBR-DLBZAZTESA-N 1 3 348.491 0.531 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000563076082 322296378 /nfs/dbraw/zinc/29/63/78/322296378.db2.gz HKSHIAKIBYWUSQ-IRXDYDNUSA-N 1 3 349.479 0.630 20 0 ECADHO COc1cnccc1N1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000569334803 322650745 /nfs/dbraw/zinc/65/07/45/322650745.db2.gz GYPLMENGMFTHBL-UHFFFAOYSA-N 1 3 333.436 0.921 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000572383506 322743898 /nfs/dbraw/zinc/74/38/98/322743898.db2.gz XZZBCFKFIHHJME-OWCLPIDISA-N 1 3 336.480 0.578 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1CN1CCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000576815001 322816782 /nfs/dbraw/zinc/81/67/82/322816782.db2.gz PXEWGQZYFZBPNL-YJBOKZPZSA-N 1 3 334.464 0.285 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000578224708 322858705 /nfs/dbraw/zinc/85/87/05/322858705.db2.gz TYYPSMYLQSOLBF-AWEZNQCLSA-N 1 3 332.448 0.927 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262677707 535889690 /nfs/dbraw/zinc/88/96/90/535889690.db2.gz UHLAHKGPYCAOCO-HZPDHXFCSA-N 1 3 332.448 0.722 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCCn2c3ccccc3[nH]c2=O)C1 ZINC000327582888 546002361 /nfs/dbraw/zinc/00/23/61/546002361.db2.gz GNLFEYXXWVZEFP-CQSZACIVSA-N 1 3 345.447 0.507 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000343013920 546092566 /nfs/dbraw/zinc/09/25/66/546092566.db2.gz NNTCHSXVJFUUSE-KKUMJFAQSA-N 1 3 326.485 0.822 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC[C@@H](C)[N@@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430268018 546222436 /nfs/dbraw/zinc/22/24/36/546222436.db2.gz HZNYLOZJQWRTOV-ZTFGCOKTSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC[C@@H](C)[N@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430268018 546222439 /nfs/dbraw/zinc/22/24/39/546222439.db2.gz HZNYLOZJQWRTOV-ZTFGCOKTSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CCN([C@H](C)CC[N@@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430268018 546222442 /nfs/dbraw/zinc/22/24/42/546222442.db2.gz HZNYLOZJQWRTOV-ZTFGCOKTSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CCN([C@H](C)CC[N@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430268018 546222444 /nfs/dbraw/zinc/22/24/44/546222444.db2.gz HZNYLOZJQWRTOV-ZTFGCOKTSA-N 1 3 338.496 0.681 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621844823 546575496 /nfs/dbraw/zinc/57/54/96/546575496.db2.gz XPVJLDBCILJAMZ-VQIMIIECSA-N 1 3 344.459 0.704 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(c3ccncc3)CC1)C2 ZINC000622025089 546607154 /nfs/dbraw/zinc/60/71/54/546607154.db2.gz KHBLBPYSDPMKIV-KSSFIOAISA-N 1 3 343.431 0.070 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCCC[C@@H](N3CCCC3)C1)C2 ZINC000622027035 546609354 /nfs/dbraw/zinc/60/93/54/546609354.db2.gz WUXIZCPHFRCTDT-FCEWJHQRSA-N 1 3 348.491 0.803 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cn2ccnn2)cc1 ZINC000625285760 547062154 /nfs/dbraw/zinc/06/21/54/547062154.db2.gz GMDJWRCOBMIOFV-UHFFFAOYSA-N 1 3 344.463 0.892 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634643570 547381697 /nfs/dbraw/zinc/38/16/97/547381697.db2.gz DUGMZVHKTJUQRR-FUHWJXTLSA-N 1 3 341.496 0.288 20 0 ECADHO NCc1nnc(-c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)[nH]1 ZINC000653135201 547432395 /nfs/dbraw/zinc/43/23/95/547432395.db2.gz WMZJPHWLXHGZCB-ZBEGNZNMSA-N 1 3 328.376 0.105 20 0 ECADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cnc2c(c1)CNCC2 ZINC000667800297 547558853 /nfs/dbraw/zinc/55/88/53/547558853.db2.gz COJYTRYZLVHJCC-OAHLLOKOSA-N 1 3 333.436 0.696 20 0 ECADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1cnc2c(c1)CNCC2 ZINC000667800297 547558856 /nfs/dbraw/zinc/55/88/56/547558856.db2.gz COJYTRYZLVHJCC-OAHLLOKOSA-N 1 3 333.436 0.696 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000668420463 547651246 /nfs/dbraw/zinc/65/12/46/547651246.db2.gz CZJQLGXAMBQBHN-CQSZACIVSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000668420462 547651507 /nfs/dbraw/zinc/65/15/07/547651507.db2.gz CZJQLGXAMBQBHN-AWEZNQCLSA-N 1 3 336.480 0.718 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000668502849 547672473 /nfs/dbraw/zinc/67/24/73/547672473.db2.gz VFDLIBPONMBVLB-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC000668635842 547707849 /nfs/dbraw/zinc/70/78/49/547707849.db2.gz PKNBEAKAGQOCIZ-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000668876043 547775444 /nfs/dbraw/zinc/77/54/44/547775444.db2.gz LVHPMHMTMSYZQX-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000669583510 547909637 /nfs/dbraw/zinc/90/96/37/547909637.db2.gz PVNNTBWHAMSRPZ-XIRDDKMYSA-N 1 3 333.480 0.962 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C[NH+]1CCCC1 ZINC000671172563 548104202 /nfs/dbraw/zinc/10/42/02/548104202.db2.gz IMSAWQWEDMCDOP-HOCLYGCPSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672007993 548253317 /nfs/dbraw/zinc/25/33/17/548253317.db2.gz OAZJBOZIXOKEOC-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672307048 548304553 /nfs/dbraw/zinc/30/45/53/548304553.db2.gz JPFGZBPCRVHVED-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672307048 548304554 /nfs/dbraw/zinc/30/45/54/548304554.db2.gz JPFGZBPCRVHVED-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672312443 548309912 /nfs/dbraw/zinc/30/99/12/548309912.db2.gz NWSOJIVTMYNNFW-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000672593743 548357952 /nfs/dbraw/zinc/35/79/52/548357952.db2.gz OYNVOLVKYRXKBK-LSDHHAIUSA-N 1 3 345.447 0.329 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000672593743 548357954 /nfs/dbraw/zinc/35/79/54/548357954.db2.gz OYNVOLVKYRXKBK-LSDHHAIUSA-N 1 3 345.447 0.329 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000672690204 548370904 /nfs/dbraw/zinc/37/09/04/548370904.db2.gz PLQBHHQWSIXACN-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000672698247 548374345 /nfs/dbraw/zinc/37/43/45/548374345.db2.gz NJIVGMRYFADFLA-HZPDHXFCSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000672697590 548374711 /nfs/dbraw/zinc/37/47/11/548374711.db2.gz ZKWVEWDSCPHTEW-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000672697590 548374714 /nfs/dbraw/zinc/37/47/14/548374714.db2.gz ZKWVEWDSCPHTEW-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCCO1 ZINC000672976245 548421308 /nfs/dbraw/zinc/42/13/08/548421308.db2.gz IHFWOBPAXKDJDX-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO C[NH+](C)CCN1C(=O)C[C@H](N2CCC[C@H](C[C@H]3CCOC3)C2)C1=O ZINC000678611490 549038604 /nfs/dbraw/zinc/03/86/04/549038604.db2.gz QHGYBOPFUWUVKW-OAGGEKHMSA-N 1 3 337.464 0.814 20 0 ECADHO C[C@@H](NC(=O)N(C)CCCN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000679381235 549086304 /nfs/dbraw/zinc/08/63/04/549086304.db2.gz WVFPBIYSGUGWON-MRXNPFEDSA-N 1 3 339.528 0.996 20 0 ECADHO COC(=O)CN1CCC([NH2+]CCCN2CCCN(C)CC2)CC1 ZINC000775627137 579269076 /nfs/dbraw/zinc/26/90/76/579269076.db2.gz LMRURLFVXOCDRQ-UHFFFAOYSA-N 1 3 326.485 0.241 20 0 ECADHO [NH3+]CCOc1cccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000841281911 588985729 /nfs/dbraw/zinc/98/57/29/588985729.db2.gz MUQQCJFUBLKGQG-OAHLLOKOSA-N 1 3 336.436 0.992 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000842190393 589019279 /nfs/dbraw/zinc/01/92/79/589019279.db2.gz RZAIFXXPWUXWHS-IBGZPJMESA-N 1 3 346.475 0.741 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842229239 589022746 /nfs/dbraw/zinc/02/27/46/589022746.db2.gz DJTLCBVKSJGPKT-KRWDZBQOSA-N 1 3 346.475 0.745 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000842233581 589023572 /nfs/dbraw/zinc/02/35/72/589023572.db2.gz WKJTVJYCVCJQFX-KRWDZBQOSA-N 1 3 346.475 0.488 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000891497884 586171478 /nfs/dbraw/zinc/17/14/78/586171478.db2.gz OYRZPQNLRSSDHD-BBRMVZONSA-N 1 3 347.463 0.609 20 0 ECADHO O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000891514206 586172822 /nfs/dbraw/zinc/17/28/22/586172822.db2.gz OANDFSXENQHBOZ-IAGOWNOFSA-N 1 3 344.459 0.995 20 0 ECADHO O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000891514211 586172937 /nfs/dbraw/zinc/17/29/37/586172937.db2.gz OANDFSXENQHBOZ-SJORKVTESA-N 1 3 344.459 0.995 20 0 ECADHO [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000891766876 586195474 /nfs/dbraw/zinc/19/54/74/586195474.db2.gz YOLQRVHHAQHZGJ-JQFCIGGWSA-N 1 3 332.448 0.790 20 0 ECADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCN1c1ccncc1 ZINC000892169407 586226786 /nfs/dbraw/zinc/22/67/86/586226786.db2.gz YXINDEWXHCTCEW-ZBFHGGJFSA-N 1 3 333.436 0.680 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(C(C)(C)C)C1=O ZINC000896681642 586266518 /nfs/dbraw/zinc/26/65/18/586266518.db2.gz PFDQZVMCVUYAGI-HNNXBMFYSA-N 1 3 340.512 0.975 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892439593 586266653 /nfs/dbraw/zinc/26/66/53/586266653.db2.gz QFRFJSDUUWBRHU-BZUAXINKSA-N 1 3 325.501 0.829 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C2CN([C@H]3CCOC3)C2)CC1 ZINC000896899049 586276973 /nfs/dbraw/zinc/27/69/73/586276973.db2.gz YSXIQBSQKLFLDF-RDJZCZTQSA-N 1 3 338.496 0.097 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892693050 586284063 /nfs/dbraw/zinc/28/40/63/586284063.db2.gz AMCVEAFGGXQRMY-JYJNAYRXSA-N 1 3 326.485 0.957 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892693050 586284065 /nfs/dbraw/zinc/28/40/65/586284065.db2.gz AMCVEAFGGXQRMY-JYJNAYRXSA-N 1 3 326.485 0.957 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893223697 586317215 /nfs/dbraw/zinc/31/72/15/586317215.db2.gz LRVQPHPHJABRMD-HOTGVXAUSA-N 1 3 342.484 0.195 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893223697 586317218 /nfs/dbraw/zinc/31/72/18/586317218.db2.gz LRVQPHPHJABRMD-HOTGVXAUSA-N 1 3 342.484 0.195 20 0 ECADHO O=C(C1CN(C2CCOCC2)C1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000898985679 586460618 /nfs/dbraw/zinc/46/06/18/586460618.db2.gz XWKDMYORDTYBJS-KRWDZBQOSA-N 1 3 337.464 0.155 20 0 ECADHO O=C(C1CN(C2CCOCC2)C1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000898985679 586460619 /nfs/dbraw/zinc/46/06/19/586460619.db2.gz XWKDMYORDTYBJS-KRWDZBQOSA-N 1 3 337.464 0.155 20 0 ECADHO CN1CCC[C@](O)(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000900588088 586644109 /nfs/dbraw/zinc/64/41/09/586644109.db2.gz MAEHZFFLAXWPOF-SFHVURJKSA-N 1 3 339.480 0.594 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)C1 ZINC000901077806 586690379 /nfs/dbraw/zinc/69/03/79/586690379.db2.gz OMUBRKZAYPOGAA-SJLPKXTDSA-N 1 3 339.480 0.547 20 0 ECADHO Cc1cc([C@@H](N)CC(=O)N(C)CCN2CC[NH2+]CC2)cc(Cl)n1 ZINC000843337799 589062494 /nfs/dbraw/zinc/06/24/94/589062494.db2.gz AOQOSEDMPAZCAB-AWEZNQCLSA-N 1 3 339.871 0.797 20 0 ECADHO C[C@@H]1CN(CC(=O)N(CCC(N)=O)Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000903496706 586780068 /nfs/dbraw/zinc/78/00/68/586780068.db2.gz ZMOISUWWHLWLNZ-NVXWUHKLSA-N 1 3 346.475 0.807 20 0 ECADHO C[C@@H](c1nnnn1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507246 586783034 /nfs/dbraw/zinc/78/30/34/586783034.db2.gz SSBUHIWALHZHBZ-VBNZEHGJSA-N 1 3 331.468 0.970 20 0 ECADHO C[C@@H](c1nnnn1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507246 586783035 /nfs/dbraw/zinc/78/30/35/586783035.db2.gz SSBUHIWALHZHBZ-VBNZEHGJSA-N 1 3 331.468 0.970 20 0 ECADHO CN(C)CCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562180 586786445 /nfs/dbraw/zinc/78/64/45/586786445.db2.gz GFXBADPGDIMXGG-IYBDPMFKSA-N 1 3 344.525 0.169 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903564340 586786596 /nfs/dbraw/zinc/78/65/96/586786596.db2.gz WTPLDPLFPKNFBH-HZSPNIEDSA-N 1 3 341.481 0.233 20 0 ECADHO CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903725303 586802305 /nfs/dbraw/zinc/80/23/05/586802305.db2.gz YQHOAMFDCBOCIS-KKUMJFAQSA-N 1 3 331.482 0.016 20 0 ECADHO OCCN(CCOCC(F)(F)F)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728883 586803043 /nfs/dbraw/zinc/80/30/43/586803043.db2.gz GSQGWZWPARBMHL-CHWSQXEVSA-N 1 3 326.359 0.628 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[C@@H]1N ZINC000903747349 586804568 /nfs/dbraw/zinc/80/45/68/586804568.db2.gz MOXIYRXULRXGEW-GJZGRUSLSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903777658 586814312 /nfs/dbraw/zinc/81/43/12/586814312.db2.gz CTODHTGPGUZPRF-HIFRSBDPSA-N 1 3 345.447 0.314 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCN(CC2CCOCC2)CC1 ZINC000903893037 586823837 /nfs/dbraw/zinc/82/38/37/586823837.db2.gz OVSLVNMKAQHQAV-QGZVFWFLSA-N 1 3 348.495 0.747 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCC3(CCN(C)C3=O)CC2)cnn1C ZINC000903910798 586825592 /nfs/dbraw/zinc/82/55/92/586825592.db2.gz RDHKFANMYASTHP-HNNXBMFYSA-N 1 3 333.480 0.790 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCNC[C@@H]2c2nccn2C)cnn1C ZINC000903918423 586825718 /nfs/dbraw/zinc/82/57/18/586825718.db2.gz ZIWAPJFNURWGBY-GDBMZVCRSA-N 1 3 331.468 0.226 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000904952967 586849053 /nfs/dbraw/zinc/84/90/53/586849053.db2.gz MHMJDKKPPPASBN-UHFFFAOYSA-N 1 3 338.496 0.763 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@]34CC[NH2+]C4)C2)C1 ZINC000905010149 586860491 /nfs/dbraw/zinc/86/04/91/586860491.db2.gz FQMXZXGYEHSTHM-MSOLQXFVSA-N 1 3 334.464 0.285 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC[C@H](O)C[C@]2(O)CCOC2)cc1 ZINC000905089769 586868189 /nfs/dbraw/zinc/86/81/89/586868189.db2.gz QMDUKKIWKSQBDO-SJLPKXTDSA-N 1 3 338.448 0.619 20 0 ECADHO NCc1ccc2c(c1)N(S(=O)(=O)CC1CC[NH2+]CC1)CCO2 ZINC000905360482 586886362 /nfs/dbraw/zinc/88/63/62/586886362.db2.gz BNICDSYNUTVBRX-UHFFFAOYSA-N 1 3 325.434 0.674 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906646520 586960954 /nfs/dbraw/zinc/96/09/54/586960954.db2.gz SKNMISLMFDJBCE-AWEZNQCLSA-N 1 3 347.463 0.226 20 0 ECADHO CN1CCN(CCNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1(C)C ZINC000906669712 586963706 /nfs/dbraw/zinc/96/37/06/586963706.db2.gz JOMIXBYIUGGNFE-UHFFFAOYSA-N 1 3 347.463 0.226 20 0 ECADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN)CCO1 ZINC000906677367 586965138 /nfs/dbraw/zinc/96/51/38/586965138.db2.gz CCQUYTRJJLGBTP-OAHLLOKOSA-N 1 3 348.447 0.653 20 0 ECADHO O=C(C[C@@H]1CSCC[NH2+]1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000844169594 589097923 /nfs/dbraw/zinc/09/79/23/589097923.db2.gz ANGDTFVUHVKYBE-CABCVRRESA-N 1 3 327.494 0.841 20 0 ECADHO COC(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1C ZINC000820080694 587507668 /nfs/dbraw/zinc/50/76/68/587507668.db2.gz ISEQNDKXBKIDNY-KKUMJFAQSA-N 1 3 342.484 0.851 20 0 ECADHO COC(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1C ZINC000820080694 587507670 /nfs/dbraw/zinc/50/76/70/587507670.db2.gz ISEQNDKXBKIDNY-KKUMJFAQSA-N 1 3 342.484 0.851 20 0 ECADHO CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000824401038 587872351 /nfs/dbraw/zinc/87/23/51/587872351.db2.gz JTJPTLCCCJPIRT-GJZGRUSLSA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000824401038 587872353 /nfs/dbraw/zinc/87/23/53/587872353.db2.gz JTJPTLCCCJPIRT-GJZGRUSLSA-N 1 3 326.485 0.774 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN(C2CC2)C1=O ZINC000824825446 587896435 /nfs/dbraw/zinc/89/64/35/587896435.db2.gz AFMVDVLEFCDRKI-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN(C2CC2)C1=O ZINC000824825446 587896437 /nfs/dbraw/zinc/89/64/37/587896437.db2.gz AFMVDVLEFCDRKI-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000825701812 587956955 /nfs/dbraw/zinc/95/69/55/587956955.db2.gz FNBRCTMAVFTHFQ-OAHLLOKOSA-N 1 3 339.484 0.480 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000847459376 589248071 /nfs/dbraw/zinc/24/80/71/589248071.db2.gz PFEUMAKXXOKLRF-AWEZNQCLSA-N 1 3 341.456 0.104 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849000573 589318318 /nfs/dbraw/zinc/31/83/18/589318318.db2.gz DLHYRZIMYSTSFL-KGLIPLIRSA-N 1 3 325.457 0.222 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=S)NC1CCN(C)CC1 ZINC000849275377 589324387 /nfs/dbraw/zinc/32/43/87/589324387.db2.gz NBHXZNRKCJAUNO-AWEZNQCLSA-N 1 3 329.558 0.817 20 0 ECADHO CN(C)CCOc1cccc(-c2noc(-c3cn(CC[NH3+])nn3)n2)c1 ZINC000854139427 589572499 /nfs/dbraw/zinc/57/24/99/589572499.db2.gz UVMYYEVJOZQAOH-UHFFFAOYSA-N 1 3 343.391 0.894 20 0 ECADHO CCOC(=O)CCCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712809 589762280 /nfs/dbraw/zinc/76/22/80/589762280.db2.gz XTKAQLIJGHUANS-MJBXVCDLSA-N 1 3 325.409 0.587 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCC1(C)C ZINC000867742593 589834652 /nfs/dbraw/zinc/83/46/52/589834652.db2.gz QPCVKMAYXSCITA-SFHVURJKSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCC1(C)C ZINC000867742593 589834653 /nfs/dbraw/zinc/83/46/53/589834653.db2.gz QPCVKMAYXSCITA-SFHVURJKSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)C2)C1 ZINC000867797975 589843951 /nfs/dbraw/zinc/84/39/51/589843951.db2.gz FAICNISXYMXSRB-MDZRGWNJSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)C2)C1 ZINC000867797975 589843954 /nfs/dbraw/zinc/84/39/54/589843954.db2.gz FAICNISXYMXSRB-MDZRGWNJSA-N 1 3 348.491 0.483 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCN3C3CCCC3)CC[C@H]21 ZINC000867800060 589845440 /nfs/dbraw/zinc/84/54/40/589845440.db2.gz SLUJWFBJOIJCDG-DJIMGWMZSA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCN3C3CCCC3)CC[C@H]21 ZINC000867800060 589845444 /nfs/dbraw/zinc/84/54/44/589845444.db2.gz SLUJWFBJOIJCDG-DJIMGWMZSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000861572839 589865407 /nfs/dbraw/zinc/86/54/07/589865407.db2.gz WMJNQNGHLHGSKL-CYBMUJFWSA-N 1 3 335.452 0.467 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868236837 589883100 /nfs/dbraw/zinc/88/31/00/589883100.db2.gz ZKJHVHMNZGWIQC-JKSUJKDBSA-N 1 3 330.432 0.994 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000861785680 589892244 /nfs/dbraw/zinc/89/22/44/589892244.db2.gz WSMLZYYUTHLXBS-CQSZACIVSA-N 1 3 347.463 0.215 20 0 ECADHO C[C@H](CNC(=O)N1CCC(N2CCN(C)CC2)CC1)[N@H+](C)C1CC1 ZINC000868371344 589897865 /nfs/dbraw/zinc/89/78/65/589897865.db2.gz BNDJYJKKKRTHDS-OAHLLOKOSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@H](CNC(=O)N1CCC(N2CCN(C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000868371344 589897866 /nfs/dbraw/zinc/89/78/66/589897866.db2.gz BNDJYJKKKRTHDS-OAHLLOKOSA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000863580207 590025069 /nfs/dbraw/zinc/02/50/69/590025069.db2.gz FNFQWNACRJUKCL-GJZGRUSLSA-N 1 3 343.468 0.669 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000863752062 590033948 /nfs/dbraw/zinc/03/39/48/590033948.db2.gz AICHASYBJFSITA-ZDUSSCGKSA-N 1 3 338.427 0.522 20 0 ECADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](N3CCCC3)C1)C2 ZINC000872188190 590100546 /nfs/dbraw/zinc/10/05/46/590100546.db2.gz QTIGIZXQXYWJDO-HDMKZQKVSA-N 1 3 334.464 0.141 20 0 ECADHO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000872190021 590101093 /nfs/dbraw/zinc/10/10/93/590101093.db2.gz LYOMYNKBXAVPOH-UHFFFAOYSA-N 1 3 326.485 0.764 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872192460 590101878 /nfs/dbraw/zinc/10/18/78/590101878.db2.gz WRPGGRNRMAEYSO-MAUKXSAKSA-N 1 3 338.496 0.635 20 0 ECADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000864961979 590118589 /nfs/dbraw/zinc/11/85/89/590118589.db2.gz HNKNHULUKHNRBD-KBPBESRZSA-N 1 3 342.484 0.899 20 0 ECADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000864961979 590118590 /nfs/dbraw/zinc/11/85/90/590118590.db2.gz HNKNHULUKHNRBD-KBPBESRZSA-N 1 3 342.484 0.899 20 0 ECADHO COCC[C@H](CNC[C@]1(O)CC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865528988 590149067 /nfs/dbraw/zinc/14/90/67/590149067.db2.gz SZSDHMMKRMPAJK-CZUORRHYSA-N 1 3 331.457 0.572 20 0 ECADHO COCC[C@H](CNC[C@]1(O)CC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865528988 590149069 /nfs/dbraw/zinc/14/90/69/590149069.db2.gz SZSDHMMKRMPAJK-CZUORRHYSA-N 1 3 331.457 0.572 20 0 ECADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000873111228 590183937 /nfs/dbraw/zinc/18/39/37/590183937.db2.gz IMKGFAIGYHAOJY-HOTGVXAUSA-N 1 3 328.416 0.923 20 0 ECADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250110 590187162 /nfs/dbraw/zinc/18/71/62/590187162.db2.gz PCTQQOAYUKPORZ-VBNZEHGJSA-N 1 3 346.431 0.580 20 0 ECADHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875074097 590267933 /nfs/dbraw/zinc/26/79/33/590267933.db2.gz QCVVPBREYQZIHZ-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875074097 590267935 /nfs/dbraw/zinc/26/79/35/590267935.db2.gz QCVVPBREYQZIHZ-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO COC(=O)CCNC(=O)CN(CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702776 590336055 /nfs/dbraw/zinc/33/60/55/590336055.db2.gz YJAUGCXGROLDGI-UHFFFAOYSA-N 1 3 327.469 0.966 20 0 ECADHO COC(=O)CCNC(=O)C[N@H+](CC(C)C)CC1CCN(C)CC1 ZINC000879702776 590336057 /nfs/dbraw/zinc/33/60/57/590336057.db2.gz YJAUGCXGROLDGI-UHFFFAOYSA-N 1 3 327.469 0.966 20 0 ECADHO COC(=O)CCNC(=O)C[N@@H+](CC(C)C)CC1CCN(C)CC1 ZINC000879702776 590336059 /nfs/dbraw/zinc/33/60/59/590336059.db2.gz YJAUGCXGROLDGI-UHFFFAOYSA-N 1 3 327.469 0.966 20 0 ECADHO COCCN(C)C[C@@H](O)CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206611 590376156 /nfs/dbraw/zinc/37/61/56/590376156.db2.gz HQXKRQWCMMTVMO-DLBZAZTESA-N 1 3 329.485 0.159 20 0 ECADHO [NH3+]C[C@]1(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CCCOC1 ZINC000876719978 590403235 /nfs/dbraw/zinc/40/32/35/590403235.db2.gz XVOVBJAPQAQCBB-NVXWUHKLSA-N 1 3 325.453 0.502 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876751848 590408913 /nfs/dbraw/zinc/40/89/13/590408913.db2.gz ZFEHMCNHWXXINW-CVEARBPZSA-N 1 3 349.479 0.957 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000876761432 590411234 /nfs/dbraw/zinc/41/12/34/590411234.db2.gz WVZJPALDPUJOOX-CVEARBPZSA-N 1 3 346.475 0.968 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)cn1 ZINC000876770988 590412340 /nfs/dbraw/zinc/41/23/40/590412340.db2.gz LQIDTARSPUMGDD-GEXIGZQTSA-N 1 3 348.451 0.055 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000876780154 590413589 /nfs/dbraw/zinc/41/35/89/590413589.db2.gz RKJXTQRPFZKSPO-UHFFFAOYSA-N 1 3 331.464 0.672 20 0 ECADHO CCN1CCN(CCC[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877145317 590440644 /nfs/dbraw/zinc/44/06/44/590440644.db2.gz FCMDXWKPWHJVEF-UHFFFAOYSA-N 1 3 340.493 0.451 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000877346490 590459629 /nfs/dbraw/zinc/45/96/29/590459629.db2.gz CTROKYXAOABJKD-HNNXBMFYSA-N 1 3 340.431 0.647 20 0 ECADHO CCN1CCN(CCC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000877362258 590460879 /nfs/dbraw/zinc/46/08/79/590460879.db2.gz ZPQSNBIVNVWUNU-QWHCGFSZSA-N 1 3 336.402 0.610 20 0 ECADHO CN1CCCC[C@@H]1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000881622487 590460886 /nfs/dbraw/zinc/46/08/86/590460886.db2.gz NEHROHQYWWZFEH-OAHLLOKOSA-N 1 3 336.480 0.803 20 0 ECADHO CN(C)CCC[N@H+](C)CCNc1ccc(C(=O)N2CCOCC2)cn1 ZINC000882602710 590563847 /nfs/dbraw/zinc/56/38/47/590563847.db2.gz YUCXMPIXMDWZDJ-UHFFFAOYSA-N 1 3 349.479 0.849 20 0 ECADHO CN(C)CCC[N@@H+](C)CCNc1ccc(C(=O)N2CCOCC2)cn1 ZINC000882602710 590563849 /nfs/dbraw/zinc/56/38/49/590563849.db2.gz YUCXMPIXMDWZDJ-UHFFFAOYSA-N 1 3 349.479 0.849 20 0 ECADHO COCC[N@H+](C[C@H](O)CC1(O)CCOCC1)CC1CCN(C)CC1 ZINC000879127320 590565687 /nfs/dbraw/zinc/56/56/87/590565687.db2.gz VKIVFVONTCWJKA-QGZVFWFLSA-N 1 3 344.496 0.569 20 0 ECADHO COCC[N@@H+](C[C@H](O)CC1(O)CCOCC1)CC1CCN(C)CC1 ZINC000879127320 590565689 /nfs/dbraw/zinc/56/56/89/590565689.db2.gz VKIVFVONTCWJKA-QGZVFWFLSA-N 1 3 344.496 0.569 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000883639853 590637282 /nfs/dbraw/zinc/63/72/82/590637282.db2.gz ACUZWWGFLPZPHR-YCPHGPKFSA-N 1 3 345.447 0.314 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC000883639717 590637491 /nfs/dbraw/zinc/63/74/91/590637491.db2.gz XBRYTZQZVZBDGS-LSDHHAIUSA-N 1 3 345.447 0.187 20 0 ECADHO C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CCN1c1ccncc1 ZINC000883639211 590637575 /nfs/dbraw/zinc/63/75/75/590637575.db2.gz JHNKZGXGZCMWIB-OAHLLOKOSA-N 1 3 335.452 0.880 20 0 ECADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCNCCC12CCC2 ZINC000883658178 590644910 /nfs/dbraw/zinc/64/49/10/590644910.db2.gz UWQCCWQQSXTRTG-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000884973940 590659153 /nfs/dbraw/zinc/65/91/53/590659153.db2.gz JFWLKAOBCUXYJM-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC12OCCO2 ZINC000889333235 590684023 /nfs/dbraw/zinc/68/40/23/590684023.db2.gz XVZIRFAWGXIRKX-LSDHHAIUSA-N 1 3 342.484 0.853 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC12OCCO2 ZINC000889333235 590684025 /nfs/dbraw/zinc/68/40/25/590684025.db2.gz XVZIRFAWGXIRKX-LSDHHAIUSA-N 1 3 342.484 0.853 20 0 ECADHO [NH3+]CCCOC1CCN(C(=O)c2ccnc(N3CCNCC3)c2)CC1 ZINC000884041566 590713498 /nfs/dbraw/zinc/71/34/98/590713498.db2.gz BJDKJXQHNHPYFV-UHFFFAOYSA-N 1 3 347.463 0.461 20 0 ECADHO COCCN(CCN(C)C)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884310292 590801860 /nfs/dbraw/zinc/80/18/60/590801860.db2.gz UIVWLQHXNRBLKD-UHFFFAOYSA-N 1 3 335.452 0.141 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccnc(N2CCNCC2)c1 ZINC000884376523 590815553 /nfs/dbraw/zinc/81/55/53/590815553.db2.gz KGTPXVXNXUMFOQ-OAHLLOKOSA-N 1 3 329.448 0.896 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CCC(C)CC1 ZINC000884503022 590845508 /nfs/dbraw/zinc/84/55/08/590845508.db2.gz ZHBLJNWBZILPJD-OAGGEKHMSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000884566234 590858978 /nfs/dbraw/zinc/85/89/78/590858978.db2.gz DTUITSPSLBTHNW-CJNGLKHVSA-N 1 3 344.459 0.150 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884576822 590861367 /nfs/dbraw/zinc/86/13/67/590861367.db2.gz RCNFSWJBVBRTEH-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884577934 590862490 /nfs/dbraw/zinc/86/24/90/590862490.db2.gz PDQTUUNHFAJWIG-QWHCGFSZSA-N 1 3 346.422 0.338 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CCSC1 ZINC000884612317 590871885 /nfs/dbraw/zinc/87/18/85/590871885.db2.gz JILLAVOBGHIWDP-CZUORRHYSA-N 1 3 342.509 0.270 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCC1(C)C ZINC000884691109 590898323 /nfs/dbraw/zinc/89/83/23/590898323.db2.gz WTDIGPPZCXUBGQ-OAHLLOKOSA-N 1 3 332.448 0.745 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000884694821 590900227 /nfs/dbraw/zinc/90/02/27/590900227.db2.gz YOEXPUXYUYXYHF-HUUCEWRRSA-N 1 3 345.447 0.377 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884699511 590900719 /nfs/dbraw/zinc/90/07/19/590900719.db2.gz DMOIKRHXJVLCSQ-CABCVRRESA-N 1 3 347.463 0.608 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCCC3)CC[C@H]21 ZINC000884699956 590901095 /nfs/dbraw/zinc/90/10/95/590901095.db2.gz KQVUIEJGSKSIPE-BZUAXINKSA-N 1 3 336.480 0.563 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCCC3)CC[C@H]21 ZINC000884699956 590901098 /nfs/dbraw/zinc/90/10/98/590901098.db2.gz KQVUIEJGSKSIPE-BZUAXINKSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000884705495 590902793 /nfs/dbraw/zinc/90/27/93/590902793.db2.gz WNVHJKQJALHMPX-DOTOQJQBSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000884715387 590906077 /nfs/dbraw/zinc/90/60/77/590906077.db2.gz RQMXQYUDGXMJRU-CYBMUJFWSA-N 1 3 331.420 0.116 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884787259 590923289 /nfs/dbraw/zinc/92/32/89/590923289.db2.gz LYDNTRKLGBPXFR-SJORKVTESA-N 1 3 346.475 0.663 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884793774 590924445 /nfs/dbraw/zinc/92/44/45/590924445.db2.gz ZWGNAWFGBBHIJZ-GOEBONIOSA-N 1 3 347.463 0.608 20 0 ECADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000889744312 591076093 /nfs/dbraw/zinc/07/60/93/591076093.db2.gz VBLPWFYSCBTNBA-HZPDHXFCSA-N 1 3 325.453 0.155 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(Cc2ccccc2OCC[NH+](C)C)C1=O ZINC000924531457 611412533 /nfs/dbraw/zinc/41/25/33/611412533.db2.gz GZTIKJXVWOWTJA-AWEZNQCLSA-N 1 3 334.420 0.609 20 0 ECADHO COCC[N@@H+]1CCC[C@@H]1CN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924583131 611416407 /nfs/dbraw/zinc/41/64/07/611416407.db2.gz XHCOCYJCHFUKKZ-HUUCEWRRSA-N 1 3 338.452 0.504 20 0 ECADHO COCC[N@H+]1CCC[C@@H]1CN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924583131 611416411 /nfs/dbraw/zinc/41/64/11/611416411.db2.gz XHCOCYJCHFUKKZ-HUUCEWRRSA-N 1 3 338.452 0.504 20 0 ECADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924655332 611421344 /nfs/dbraw/zinc/42/13/44/611421344.db2.gz IPKBDJVQJHFVSG-GFCCVEGCSA-N 1 3 334.420 0.835 20 0 ECADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924655332 611421345 /nfs/dbraw/zinc/42/13/45/611421345.db2.gz IPKBDJVQJHFVSG-GFCCVEGCSA-N 1 3 334.420 0.835 20 0 ECADHO CN1C[C@@H](O)C[C@H]1CNC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000924982915 611445337 /nfs/dbraw/zinc/44/53/37/611445337.db2.gz YLOMXADICKOTRH-GCZRAQGHSA-N 1 3 347.459 0.821 20 0 ECADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@H+](C)CCO)CC2)c1 ZINC000925007052 611448305 /nfs/dbraw/zinc/44/83/05/611448305.db2.gz HPKXOUWZPNLYKZ-UHFFFAOYSA-N 1 3 348.491 0.547 20 0 ECADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@@H+](C)CCO)CC2)c1 ZINC000925007052 611448306 /nfs/dbraw/zinc/44/83/06/611448306.db2.gz HPKXOUWZPNLYKZ-UHFFFAOYSA-N 1 3 348.491 0.547 20 0 ECADHO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)n1 ZINC000925078216 611452153 /nfs/dbraw/zinc/45/21/53/611452153.db2.gz FPUKJAXVBXGORQ-ZBFHGGJFSA-N 1 3 336.484 0.664 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1 ZINC000925331305 611470615 /nfs/dbraw/zinc/47/06/15/611470615.db2.gz IIXNGKBRSDWNFQ-OFQRWUPVSA-N 1 3 326.485 0.813 20 0 ECADHO CC1(C)C[C@@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C[C@@H]([NH3+])C1 ZINC000925569604 611487973 /nfs/dbraw/zinc/48/79/73/611487973.db2.gz HHTFXTWAZKTKQO-OWCLPIDISA-N 1 3 338.496 0.415 20 0 ECADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000925569603 611488076 /nfs/dbraw/zinc/48/80/76/611488076.db2.gz HHTFXTWAZKTKQO-OAGGEKHMSA-N 1 3 338.496 0.415 20 0 ECADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCN(c3ccc4nncn4n3)C1)[NH2+]2 ZINC000925718849 611495804 /nfs/dbraw/zinc/49/58/04/611495804.db2.gz JQNAQPBVMIFYBT-FQKPHLNHSA-N 1 3 327.436 0.822 20 0 ECADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCCN(CCN3CCOCC3)C1)[NH2+]2 ZINC000925768675 611498867 /nfs/dbraw/zinc/49/88/67/611498867.db2.gz LOTDFDXAXAOZAR-ICBNADEASA-N 1 3 336.524 0.902 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000927857273 611644250 /nfs/dbraw/zinc/64/42/50/611644250.db2.gz YXEVPDYBZGOFHR-OAHLLOKOSA-N 1 3 348.447 0.891 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000937486378 608815493 /nfs/dbraw/zinc/81/54/93/608815493.db2.gz PMUPPAMXWXQZJS-VNQPRFMTSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000937486378 608815496 /nfs/dbraw/zinc/81/54/96/608815496.db2.gz PMUPPAMXWXQZJS-VNQPRFMTSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@H]1[NH2+]CCC[C@@H]1NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000925598939 609126382 /nfs/dbraw/zinc/12/63/82/609126382.db2.gz NWIACBCQBQFMSC-PWSUYJOCSA-N 1 3 325.425 0.981 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000937947954 609413904 /nfs/dbraw/zinc/41/39/04/609413904.db2.gz INPWIYGMCNORHH-JKSUJKDBSA-N 1 3 348.491 0.672 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1=O ZINC000924743935 609505346 /nfs/dbraw/zinc/50/53/46/609505346.db2.gz POKGFOMWNQNQFA-JKSUJKDBSA-N 1 3 346.431 0.235 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1=O ZINC000924743935 609505348 /nfs/dbraw/zinc/50/53/48/609505348.db2.gz POKGFOMWNQNQFA-JKSUJKDBSA-N 1 3 346.431 0.235 20 0 ECADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928559465 611700065 /nfs/dbraw/zinc/70/00/65/611700065.db2.gz YEZHSADBKQASHQ-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928559465 611700066 /nfs/dbraw/zinc/70/00/66/611700066.db2.gz YEZHSADBKQASHQ-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@@H]1CNC(=O)[C@H]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928559465 611700067 /nfs/dbraw/zinc/70/00/67/611700067.db2.gz YEZHSADBKQASHQ-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@@H]1CNC(=O)[C@H]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928559465 611700068 /nfs/dbraw/zinc/70/00/68/611700068.db2.gz YEZHSADBKQASHQ-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909311309 609693424 /nfs/dbraw/zinc/69/34/24/609693424.db2.gz BKJYQSMLADFEQJ-INIZCTEOSA-N 1 3 338.496 0.827 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909311309 609693425 /nfs/dbraw/zinc/69/34/25/609693425.db2.gz BKJYQSMLADFEQJ-INIZCTEOSA-N 1 3 338.496 0.827 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911030489 609796870 /nfs/dbraw/zinc/79/68/70/609796870.db2.gz XPIDNHZKCGDBAX-XUWVNRHRSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCC(C)CC1 ZINC000911090707 609802322 /nfs/dbraw/zinc/80/23/22/609802322.db2.gz KCCVMHGCNNDEPC-HRCADAONSA-N 1 3 336.480 0.291 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)C(C)C ZINC000911093101 609803204 /nfs/dbraw/zinc/80/32/04/609803204.db2.gz WGRQVPBGZKTAME-HNNXBMFYSA-N 1 3 326.485 0.679 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911214386 609827067 /nfs/dbraw/zinc/82/70/67/609827067.db2.gz DBRNTEBRWDCKEH-CSMYWGQOSA-N 1 3 342.443 0.328 20 0 ECADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000911214386 609827069 /nfs/dbraw/zinc/82/70/69/609827069.db2.gz DBRNTEBRWDCKEH-CSMYWGQOSA-N 1 3 342.443 0.328 20 0 ECADHO CN1CC[C@H]1CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000914034441 609845622 /nfs/dbraw/zinc/84/56/22/609845622.db2.gz ZYMRMVMGWPVSRX-HNNXBMFYSA-N 1 3 332.452 0.337 20 0 ECADHO CN1CCN(c2cc(CNC(=O)NC[C@@H]3CC[N@@H+]3C)ccn2)CC1 ZINC000914034441 609845625 /nfs/dbraw/zinc/84/56/25/609845625.db2.gz ZYMRMVMGWPVSRX-HNNXBMFYSA-N 1 3 332.452 0.337 20 0 ECADHO CN1CCN(c2cc(CNC(=O)NC[C@@H]3CC[N@H+]3C)ccn2)CC1 ZINC000914034441 609845626 /nfs/dbraw/zinc/84/56/26/609845626.db2.gz ZYMRMVMGWPVSRX-HNNXBMFYSA-N 1 3 332.452 0.337 20 0 ECADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543876 609851475 /nfs/dbraw/zinc/85/14/75/609851475.db2.gz FALRJRKIOQKUJL-INIZCTEOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)N1CCC[C@H](C)C1 ZINC000911401122 609867579 /nfs/dbraw/zinc/86/75/79/609867579.db2.gz OTIMGYGNQMQUBT-ZJIFWQFVSA-N 1 3 338.496 0.585 20 0 ECADHO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914235030 609868499 /nfs/dbraw/zinc/86/84/99/609868499.db2.gz KEBOWCFVVNDBTL-HOTGVXAUSA-N 1 3 347.525 0.749 20 0 ECADHO O=C(CCCC(=O)N1CC[C@@H]([NH+]2CCC2)C1)N1CC[C@@H](N2CCC2)C1 ZINC000912918499 610021343 /nfs/dbraw/zinc/02/13/43/610021343.db2.gz ZJPRBFFUJIHONZ-IAGOWNOFSA-N 1 3 348.491 0.770 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000938913153 610040632 /nfs/dbraw/zinc/04/06/32/610040632.db2.gz DZTBBPYYZYMKDO-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000919636543 610052513 /nfs/dbraw/zinc/05/25/13/610052513.db2.gz YDMREGAGGDYHQM-HOCLYGCPSA-N 1 3 340.468 0.260 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000919636543 610052516 /nfs/dbraw/zinc/05/25/16/610052516.db2.gz YDMREGAGGDYHQM-HOCLYGCPSA-N 1 3 340.468 0.260 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000940952166 610445538 /nfs/dbraw/zinc/44/55/38/610445538.db2.gz KHALWTAENVPVGX-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000940952166 610445539 /nfs/dbraw/zinc/44/55/39/610445539.db2.gz KHALWTAENVPVGX-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)N(C)C ZINC000941680806 610453585 /nfs/dbraw/zinc/45/35/85/610453585.db2.gz SLNZMZHVJZJRPO-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)N(C)C ZINC000941680806 610453587 /nfs/dbraw/zinc/45/35/87/610453587.db2.gz SLNZMZHVJZJRPO-CVEARBPZSA-N 1 3 338.496 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ZINC001167627078 736152520 /nfs/dbraw/zinc/15/25/20/736152520.db2.gz KANWHCYVTZEUDP-UONOGXRCSA-N 1 3 338.452 0.150 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098572766 736289769 /nfs/dbraw/zinc/28/97/69/736289769.db2.gz ZTBSZHXERGRVSJ-QGZVFWFLSA-N 1 3 341.496 0.529 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098572766 736289772 /nfs/dbraw/zinc/28/97/72/736289772.db2.gz ZTBSZHXERGRVSJ-QGZVFWFLSA-N 1 3 341.496 0.529 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(CCn3cncn3)C2)CC[N@@H+]1C ZINC001023381042 736758520 /nfs/dbraw/zinc/75/85/20/736758520.db2.gz LAQQUHDOAYYHDH-IXDOHACOSA-N 1 3 348.495 0.837 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(CCn3cncn3)C2)CC[N@H+]1C ZINC001023381042 736758523 /nfs/dbraw/zinc/75/85/23/736758523.db2.gz LAQQUHDOAYYHDH-IXDOHACOSA-N 1 3 348.495 0.837 20 0 ECADHO Cc1nc(C)n(CCN2CCC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023746041 737287366 /nfs/dbraw/zinc/28/73/66/737287366.db2.gz LTPDYDOPHCXMOH-IRXDYDNUSA-N 1 3 348.495 0.675 20 0 ECADHO Cc1nc(C)n(CCN2CCC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001023746041 737287371 /nfs/dbraw/zinc/28/73/71/737287371.db2.gz LTPDYDOPHCXMOH-IRXDYDNUSA-N 1 3 348.495 0.675 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001023891503 737461404 /nfs/dbraw/zinc/46/14/04/737461404.db2.gz QSBTUSAEGHJZEC-HOCLYGCPSA-N 1 3 347.463 0.908 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)nn1 ZINC001023889359 737464459 /nfs/dbraw/zinc/46/44/59/737464459.db2.gz NCPZPDOBRCITQZ-ZBFHGGJFSA-N 1 3 347.463 0.908 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNCc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001023993764 737592011 /nfs/dbraw/zinc/59/20/11/737592011.db2.gz PCGLZGARDMNZIN-IIAWOOMASA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNCc3cn(C)nn3)C2)CC[N@H+]1C ZINC001023993764 737592012 /nfs/dbraw/zinc/59/20/12/737592012.db2.gz PCGLZGARDMNZIN-IIAWOOMASA-N 1 3 334.468 0.484 20 0 ECADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001006464742 751415317 /nfs/dbraw/zinc/41/53/17/751415317.db2.gz SNIQHPSEVPWDCN-ZFWWWQNUSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3C)C2)C1 ZINC001104679679 739462202 /nfs/dbraw/zinc/46/22/02/739462202.db2.gz MNQWDLQJLRISNN-ARFHVFGLSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@H](NC(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCCN(CC(N)=O)C1 ZINC001025473592 739628439 /nfs/dbraw/zinc/62/84/39/739628439.db2.gz GWCCAIDQEGJENK-GXTWGEPZSA-N 1 3 329.404 0.650 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001025809057 739976928 /nfs/dbraw/zinc/97/69/28/739976928.db2.gz WHGHSKMMOMPRJL-LEOABGAYSA-N 1 3 334.464 0.138 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001025809057 739976934 /nfs/dbraw/zinc/97/69/34/739976934.db2.gz WHGHSKMMOMPRJL-LEOABGAYSA-N 1 3 334.464 0.138 20 0 ECADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NCC(C)C)C1 ZINC001100770796 740353801 /nfs/dbraw/zinc/35/38/01/740353801.db2.gz OBNDDGYPWBAYSY-QQFBHYJXSA-N 1 3 340.512 0.973 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001026142854 740416508 /nfs/dbraw/zinc/41/65/08/740416508.db2.gz ZHZUIEQYDODMEX-OXQIDUKASA-N 1 3 330.432 0.734 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001026142854 740416511 /nfs/dbraw/zinc/41/65/11/740416511.db2.gz ZHZUIEQYDODMEX-OXQIDUKASA-N 1 3 330.432 0.734 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001104813123 740565001 /nfs/dbraw/zinc/56/50/01/740565001.db2.gz ZCHSNELGPOAGNQ-BZUAXINKSA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCn4cncn4)[C@@H]3C2)CCC1 ZINC001026281618 740733591 /nfs/dbraw/zinc/73/35/91/740733591.db2.gz GMFFIWMPKRFGJU-XHSDSOJGSA-N 1 3 346.479 0.589 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2cnnn2C)C1 ZINC001104872671 740779119 /nfs/dbraw/zinc/77/91/19/740779119.db2.gz SZWBHENLVJRXTJ-HUUCEWRRSA-N 1 3 336.484 0.731 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2cnnn2C)C1 ZINC001104872671 740779121 /nfs/dbraw/zinc/77/91/21/740779121.db2.gz SZWBHENLVJRXTJ-HUUCEWRRSA-N 1 3 336.484 0.731 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C1 ZINC001104938252 740978931 /nfs/dbraw/zinc/97/89/31/740978931.db2.gz QKLQNVLMRNBNOY-HUUCEWRRSA-N 1 3 326.485 0.539 20 0 ECADHO Cn1ncc(CN[C@@H]2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)n1 ZINC001026349189 740987142 /nfs/dbraw/zinc/98/71/42/740987142.db2.gz XLRSJWZLTRRRMH-BHYGNILZSA-N 1 3 346.479 0.484 20 0 ECADHO Cn1nccc1CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC001026368212 741076213 /nfs/dbraw/zinc/07/62/13/741076213.db2.gz YBYZOFCSGBXCFL-RRQGHBQHSA-N 1 3 342.447 0.755 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CCNCc1cnnn1C ZINC001105008230 741160518 /nfs/dbraw/zinc/16/05/18/741160518.db2.gz VGXBXEUAWAVNMD-RBSFLKMASA-N 1 3 334.468 0.341 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CCNCc1cnnn1C ZINC001105008230 741160520 /nfs/dbraw/zinc/16/05/20/741160520.db2.gz VGXBXEUAWAVNMD-RBSFLKMASA-N 1 3 334.468 0.341 20 0 ECADHO Cn1cc(CN[C@@H]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]23)nn1 ZINC001026399910 741237795 /nfs/dbraw/zinc/23/77/95/741237795.db2.gz AOWWRJGPHDVADT-FVQBIDKESA-N 1 3 344.463 0.238 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000974324167 741314548 /nfs/dbraw/zinc/31/45/48/741314548.db2.gz KSGFBEMWVWPVGF-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000974324167 741314552 /nfs/dbraw/zinc/31/45/52/741314552.db2.gz KSGFBEMWVWPVGF-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC(N)=O)[C@H]2C1 ZINC001026426331 741354631 /nfs/dbraw/zinc/35/46/31/741354631.db2.gz KGZJQRXVQVVTNQ-BHYGNILZSA-N 1 3 344.459 0.674 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000974410538 741638783 /nfs/dbraw/zinc/63/87/83/741638783.db2.gz UVSLDBREUKJZMY-FPCVCCKLSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000974410538 741638786 /nfs/dbraw/zinc/63/87/86/741638786.db2.gz UVSLDBREUKJZMY-FPCVCCKLSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105326972 741805953 /nfs/dbraw/zinc/80/59/53/741805953.db2.gz NMMAJEXUKBDELM-CXAGYDPISA-N 1 3 346.479 0.749 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105326972 741805955 /nfs/dbraw/zinc/80/59/55/741805955.db2.gz NMMAJEXUKBDELM-CXAGYDPISA-N 1 3 346.479 0.749 20 0 ECADHO Cn1cc(CNC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001026848309 741957356 /nfs/dbraw/zinc/95/73/56/741957356.db2.gz XYFJZDZSSCKQLM-BBRMVZONSA-N 1 3 332.452 0.095 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC001026884740 742024242 /nfs/dbraw/zinc/02/42/42/742024242.db2.gz BHQHLLQYKHIGPJ-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026885349 742025065 /nfs/dbraw/zinc/02/50/65/742025065.db2.gz IGWQIUGQEWCQAU-AWEZNQCLSA-N 1 3 334.468 0.720 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC001026889207 742028861 /nfs/dbraw/zinc/02/88/61/742028861.db2.gz UCBAGULUNROKMB-DYVFJYSZSA-N 1 3 347.463 0.764 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001026901984 742053367 /nfs/dbraw/zinc/05/33/67/742053367.db2.gz XNOREUBTHJGHLG-ZBFHGGJFSA-N 1 3 336.484 0.822 20 0 ECADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001026938261 742129894 /nfs/dbraw/zinc/12/98/94/742129894.db2.gz BDKSGNFHMOKZOX-HNNXBMFYSA-N 1 3 331.464 0.987 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027042745 742357092 /nfs/dbraw/zinc/35/70/92/742357092.db2.gz MPANYLBHECYBDB-GOEBONIOSA-N 1 3 336.484 0.822 20 0 ECADHO C[C@@H](NC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1nncn1C ZINC001027037662 742364927 /nfs/dbraw/zinc/36/49/27/742364927.db2.gz XLZBQEGEKOGWDS-ZIAGYGMSSA-N 1 3 334.468 0.656 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001027066694 742418444 /nfs/dbraw/zinc/41/84/44/742418444.db2.gz XHRDLOAMLQJZEW-OAHLLOKOSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC001027066694 742418447 /nfs/dbraw/zinc/41/84/47/742418447.db2.gz XHRDLOAMLQJZEW-OAHLLOKOSA-N 1 3 348.495 0.968 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)nn1 ZINC001027063922 742432618 /nfs/dbraw/zinc/43/26/18/742432618.db2.gz VPSSCDNFIADCHI-CABCVRRESA-N 1 3 347.463 0.908 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001027091408 742525162 /nfs/dbraw/zinc/52/51/62/742525162.db2.gz MFLVOXNLTGTBQE-KBPBESRZSA-N 1 3 333.436 0.307 20 0 ECADHO CCN1CC[C@@H](N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028931360 742890873 /nfs/dbraw/zinc/89/08/73/742890873.db2.gz PAQQKQMCYIOPTH-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO Cc1nn(C)cc1CN1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028932668 742895883 /nfs/dbraw/zinc/89/58/83/742895883.db2.gz JPADEHPQTDOADJ-OAHLLOKOSA-N 1 3 331.464 0.762 20 0 ECADHO C[C@H](NC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nncn1C ZINC001027173379 743005990 /nfs/dbraw/zinc/00/59/90/743005990.db2.gz OYSGUHFLMSIUGX-UONOGXRCSA-N 1 3 332.452 0.410 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1)N(C)C ZINC000996964582 743077686 /nfs/dbraw/zinc/07/76/86/743077686.db2.gz LHKDNFCMMJMGPS-QGZVFWFLSA-N 1 3 338.496 0.776 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC([NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC000997004621 743118660 /nfs/dbraw/zinc/11/86/60/743118660.db2.gz FOUKYUDUNSFDFQ-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC000997007025 743121069 /nfs/dbraw/zinc/12/10/69/743121069.db2.gz NXCAARJHLAKFQW-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO COc1cc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)on1 ZINC000997007147 743121259 /nfs/dbraw/zinc/12/12/59/743121259.db2.gz ITJWGVJCRQAVCB-SWLSCSKDSA-N 1 3 336.436 0.962 20 0 ECADHO COc1cc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)on1 ZINC000997007147 743121266 /nfs/dbraw/zinc/12/12/66/743121266.db2.gz ITJWGVJCRQAVCB-SWLSCSKDSA-N 1 3 336.436 0.962 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000997037163 743157381 /nfs/dbraw/zinc/15/73/81/743157381.db2.gz UUCABOGXNZHRIL-OAHLLOKOSA-N 1 3 333.436 0.542 20 0 ECADHO C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)N1CCCCC1 ZINC000997036527 743157791 /nfs/dbraw/zinc/15/77/91/743157791.db2.gz MNDQNEJVAMHIPB-AWEZNQCLSA-N 1 3 347.463 0.934 20 0 ECADHO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)n1 ZINC000997040255 743161175 /nfs/dbraw/zinc/16/11/75/743161175.db2.gz FINAWSUJOFIVOW-UHFFFAOYSA-N 1 3 331.424 0.441 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027235594 743251481 /nfs/dbraw/zinc/25/14/81/743251481.db2.gz SPMGVOULMASBSW-YOEHRIQHSA-N 1 3 344.459 0.688 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CNCc2nncn2C)C1 ZINC001027235854 743252171 /nfs/dbraw/zinc/25/21/71/743252171.db2.gz WYSBSEKQQHVCJT-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CNCc2nncn2C)C1 ZINC001027235854 743252176 /nfs/dbraw/zinc/25/21/76/743252176.db2.gz WYSBSEKQQHVCJT-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1)[NH+]1CCCC1 ZINC001027236204 743253477 /nfs/dbraw/zinc/25/34/77/743253477.db2.gz JCRLKRUXQAMVNW-RDJZCZTQSA-N 1 3 348.495 0.874 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000997185881 743328180 /nfs/dbraw/zinc/32/81/80/743328180.db2.gz TZVMLFWEKOFVKP-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000997185881 743328190 /nfs/dbraw/zinc/32/81/90/743328190.db2.gz TZVMLFWEKOFVKP-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300754 743463308 /nfs/dbraw/zinc/46/33/08/743463308.db2.gz WZJPWBFFVQXYGE-CYBMUJFWSA-N 1 3 333.436 0.518 20 0 ECADHO COc1cncc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300754 743463311 /nfs/dbraw/zinc/46/33/11/743463311.db2.gz WZJPWBFFVQXYGE-CYBMUJFWSA-N 1 3 333.436 0.518 20 0 ECADHO C[C@@H]([NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1)C(N)=O ZINC000997357291 743529295 /nfs/dbraw/zinc/52/92/95/743529295.db2.gz RYKTZRQSGQSOCV-CYBMUJFWSA-N 1 3 332.448 0.816 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001027334620 743771263 /nfs/dbraw/zinc/77/12/63/743771263.db2.gz RIWUIYYEZWQHAP-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC001027334620 743771264 /nfs/dbraw/zinc/77/12/64/743771264.db2.gz RIWUIYYEZWQHAP-GJZGRUSLSA-N 1 3 337.468 0.029 20 0 ECADHO CN(C)C1(C(=O)N2CCC(C[NH2+][C@@H]3CCN(C)C3=O)CC2)CCC1 ZINC000997822271 743836580 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ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNCc3cn(C)nn3)CC2)C1 ZINC000998083895 743969307 /nfs/dbraw/zinc/96/93/07/743969307.db2.gz YJYILUXXWAFZCA-AWEZNQCLSA-N 1 3 334.468 0.485 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(CNCc3cn(C)nn3)CC2)C1 ZINC000998083900 743969664 /nfs/dbraw/zinc/96/96/64/743969664.db2.gz YJYILUXXWAFZCA-CQSZACIVSA-N 1 3 334.468 0.485 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CNCc3cn(C)nn3)CC2)C1 ZINC000998083900 743969666 /nfs/dbraw/zinc/96/96/66/743969666.db2.gz YJYILUXXWAFZCA-CQSZACIVSA-N 1 3 334.468 0.485 20 0 ECADHO Cc1nnc([C@H](C)NCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000998267732 744087674 /nfs/dbraw/zinc/08/76/74/744087674.db2.gz ZOEZKBKIDGDMJT-WFASDCNBSA-N 1 3 334.468 0.954 20 0 ECADHO Cc1nnc([C@H](C)NCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000998267732 744087678 /nfs/dbraw/zinc/08/76/78/744087678.db2.gz ZOEZKBKIDGDMJT-WFASDCNBSA-N 1 3 334.468 0.954 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCN3CCCC3=O)C2)CCC1 ZINC000999352139 744645497 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CNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028191 747104895 /nfs/dbraw/zinc/10/48/95/747104895.db2.gz ZUOVGRSADKKNOE-CABCVRRESA-N 1 3 341.415 0.474 20 0 ECADHO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4cncc4c3)C[C@@H]2C1 ZINC001088028191 747104897 /nfs/dbraw/zinc/10/48/97/747104897.db2.gz ZUOVGRSADKKNOE-CABCVRRESA-N 1 3 341.415 0.474 20 0 ECADHO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4cncc4c3)C[C@@H]2C1 ZINC001088028191 747104900 /nfs/dbraw/zinc/10/49/00/747104900.db2.gz ZUOVGRSADKKNOE-CABCVRRESA-N 1 3 341.415 0.474 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@@H]2CCNC2=O)CC1 ZINC000985429284 747984830 /nfs/dbraw/zinc/98/48/30/747984830.db2.gz ODMYFLIZXQFYHQ-CVEARBPZSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@@H]2CCNC2=O)CC1 ZINC000985429284 747984832 /nfs/dbraw/zinc/98/48/32/747984832.db2.gz ODMYFLIZXQFYHQ-CVEARBPZSA-N 1 3 336.480 0.671 20 0 ECADHO CN(CC(=O)N1CCC([N@H+](C)CCn2cncn2)CC1)C1CCC1 ZINC000985466603 748174027 /nfs/dbraw/zinc/17/40/27/748174027.db2.gz ALVGPOWXFBFXDT-UHFFFAOYSA-N 1 3 334.468 0.685 20 0 ECADHO CN(CC(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1)C1CCC1 ZINC000985466603 748174034 /nfs/dbraw/zinc/17/40/34/748174034.db2.gz ALVGPOWXFBFXDT-UHFFFAOYSA-N 1 3 334.468 0.685 20 0 ECADHO CN(CC(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1)C1CCC1 ZINC000985468673 748196364 /nfs/dbraw/zinc/19/63/64/748196364.db2.gz YTLKQKQITXWBSE-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1)C1CCC1 ZINC000985468673 748196366 /nfs/dbraw/zinc/19/63/66/748196366.db2.gz YTLKQKQITXWBSE-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@H]1CCCNC1=O ZINC001029778051 748351058 /nfs/dbraw/zinc/35/10/58/748351058.db2.gz ZNESRFMOGWRNNK-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001003633901 748746056 /nfs/dbraw/zinc/74/60/56/748746056.db2.gz IRPJQEJSPOWLGC-DYVFJYSZSA-N 1 3 348.495 0.673 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001003633901 748746058 /nfs/dbraw/zinc/74/60/58/748746058.db2.gz IRPJQEJSPOWLGC-DYVFJYSZSA-N 1 3 348.495 0.673 20 0 ECADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@H]2C1)[NH+]1CCCC1 ZINC000980166103 749099823 /nfs/dbraw/zinc/09/98/23/749099823.db2.gz DXASJDRDQUFOMK-RRFJBIMHSA-N 1 3 336.480 0.563 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985803075 749136918 /nfs/dbraw/zinc/13/69/18/749136918.db2.gz APASXCGRGDAGEU-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985803075 749136923 /nfs/dbraw/zinc/13/69/23/749136923.db2.gz APASXCGRGDAGEU-HOTGVXAUSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001059677493 749391642 /nfs/dbraw/zinc/39/16/42/749391642.db2.gz ASKGRQWKTOJYSD-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001059677493 749391652 /nfs/dbraw/zinc/39/16/52/749391652.db2.gz ASKGRQWKTOJYSD-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(=O)NC)CC1)N(C)C ZINC001004473749 749542576 /nfs/dbraw/zinc/54/25/76/749542576.db2.gz LJOTVVFQPVXATC-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(=O)NC)CC1)N(C)C ZINC001004473749 749542583 /nfs/dbraw/zinc/54/25/83/749542583.db2.gz LJOTVVFQPVXATC-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO COc1nccc(C[NH2+]CC2(CCNC(=O)CN3CCCC3)CC2)n1 ZINC001168145911 749700751 /nfs/dbraw/zinc/70/07/51/749700751.db2.gz AVRWXBPYAUAAHK-UHFFFAOYSA-N 1 3 347.463 0.957 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001029973723 750167689 /nfs/dbraw/zinc/16/76/89/750167689.db2.gz LWOJDBOCMKUYHT-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001029973723 750167701 /nfs/dbraw/zinc/16/77/01/750167701.db2.gz LWOJDBOCMKUYHT-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980802019 750183484 /nfs/dbraw/zinc/18/34/84/750183484.db2.gz XHPNXKIFGSHMES-CABCVRRESA-N 1 3 334.468 0.720 20 0 ECADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001005070443 750200428 /nfs/dbraw/zinc/20/04/28/750200428.db2.gz TVRCUMLRDSKXRP-ZFWWWQNUSA-N 1 3 345.447 0.401 20 0 ECADHO CCn1cc(CC[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)cn1 ZINC000987070024 750437176 /nfs/dbraw/zinc/43/71/76/750437176.db2.gz RQSPGLZWKUAQQJ-BBRMVZONSA-N 1 3 330.436 0.990 20 0 ECADHO Cn1cc(CN[C@@H]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC000981311937 750574334 /nfs/dbraw/zinc/57/43/34/750574334.db2.gz PQYAFOIPKZNPGF-CABCVRRESA-N 1 3 334.468 0.674 20 0 ECADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001006347741 751272298 /nfs/dbraw/zinc/27/22/98/751272298.db2.gz XUWROQGCINRXBM-CJNGLKHVSA-N 1 3 336.480 0.386 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000982546188 752857542 /nfs/dbraw/zinc/85/75/42/752857542.db2.gz LMNOTOHJOMZQSB-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088620529 753158877 /nfs/dbraw/zinc/15/88/77/753158877.db2.gz OPHANZUAZQDSCA-HYVNUMGLSA-N 1 3 339.480 0.855 20 0 ECADHO COCCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088620529 753158883 /nfs/dbraw/zinc/15/88/83/753158883.db2.gz OPHANZUAZQDSCA-HYVNUMGLSA-N 1 3 339.480 0.855 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN(C)C1CCC1 ZINC000989060792 753198838 /nfs/dbraw/zinc/19/88/38/753198838.db2.gz GCCTYVIBXTWSMC-ZBFHGGJFSA-N 1 3 348.491 0.672 20 0 ECADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)CC2)C1=O ZINC001167933113 753609279 /nfs/dbraw/zinc/60/92/79/753609279.db2.gz AYOWCVQHTMSQEB-BJWYYQGGSA-N 1 3 334.508 0.955 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CC(N)=O)CCC1)N(C)C ZINC001105544724 753815768 /nfs/dbraw/zinc/81/57/68/753815768.db2.gz RNYVAQUAMXALHW-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624771 753971379 /nfs/dbraw/zinc/97/13/79/753971379.db2.gz GMTKRBRMNKZDNG-CABCVRRESA-N 1 3 336.480 0.564 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000989489051 754029950 /nfs/dbraw/zinc/02/99/50/754029950.db2.gz WFIYZGXZZLGOPX-IUODEOHRSA-N 1 3 329.404 0.430 20 0 ECADHO C[C@H]1C[C@H](NCC(=O)N2CCCC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989681483 754309126 /nfs/dbraw/zinc/30/91/26/754309126.db2.gz CIFBRQRPOUIYFQ-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO CN1CC[C@@H](N2CC[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028655963 754319928 /nfs/dbraw/zinc/31/99/28/754319928.db2.gz BFMCYGLCXOPPED-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001168335687 754646808 /nfs/dbraw/zinc/64/68/08/754646808.db2.gz PZLGDUCZPBSENK-INIZCTEOSA-N 1 3 341.496 0.746 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001168345307 754762731 /nfs/dbraw/zinc/76/27/31/754762731.db2.gz OWFVPBXHQPTIAS-AWEZNQCLSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCNC(=O)C2CC2)CC1 ZINC001168345314 754763358 /nfs/dbraw/zinc/76/33/58/754763358.db2.gz PDKYBDUDTXMBNZ-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469666 755263229 /nfs/dbraw/zinc/26/32/29/755263229.db2.gz CQEOMIUXLLNAQI-NCOADZHNSA-N 1 3 339.480 0.303 20 0 ECADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001076587898 756692725 /nfs/dbraw/zinc/69/27/25/756692725.db2.gz GNSQPQSDLWLVCS-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001076587898 756692727 /nfs/dbraw/zinc/69/27/27/756692727.db2.gz GNSQPQSDLWLVCS-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001076628305 756750241 /nfs/dbraw/zinc/75/02/41/756750241.db2.gz HSDFBICTDWTWLL-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001076628305 756750244 /nfs/dbraw/zinc/75/02/44/756750244.db2.gz HSDFBICTDWTWLL-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001048834023 757140569 /nfs/dbraw/zinc/14/05/69/757140569.db2.gz XUIKKPNDKMDODQ-XUWVNRHRSA-N 1 3 325.428 0.599 20 0 ECADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001048834023 757140574 /nfs/dbraw/zinc/14/05/74/757140574.db2.gz XUIKKPNDKMDODQ-XUWVNRHRSA-N 1 3 325.428 0.599 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN([C@@H](CC)C(N)=O)C[C@H]2C1 ZINC001048849086 757176263 /nfs/dbraw/zinc/17/62/63/757176263.db2.gz AEEDGYKWNYNLBJ-FZKCQIBNSA-N 1 3 336.480 0.515 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN([C@@H](CC)C(N)=O)C[C@H]2C1 ZINC001048849086 757176269 /nfs/dbraw/zinc/17/62/69/757176269.db2.gz AEEDGYKWNYNLBJ-FZKCQIBNSA-N 1 3 336.480 0.515 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001048873070 757247697 /nfs/dbraw/zinc/24/76/97/757247697.db2.gz MVTCBMGDQYWBTE-CAOSSQGBSA-N 1 3 336.480 0.386 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001048873070 757247704 /nfs/dbraw/zinc/24/77/04/757247704.db2.gz MVTCBMGDQYWBTE-CAOSSQGBSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@H]2C1)[NH+](C)C ZINC001048875847 757258627 /nfs/dbraw/zinc/25/86/27/757258627.db2.gz QLRMJSQMHYEICD-JONQDZQNSA-N 1 3 338.496 0.440 20 0 ECADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001048885220 757297221 /nfs/dbraw/zinc/29/72/21/757297221.db2.gz NXKIJRKHCWCZKW-OAGGEKHMSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC000996299855 757308525 /nfs/dbraw/zinc/30/85/25/757308525.db2.gz FOEZWPKTYXMGNB-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCN2CCNC2=O)C(C)(C)C1)N(C)C ZINC000996315924 757350289 /nfs/dbraw/zinc/35/02/89/757350289.db2.gz UQILWZBOWYFKGU-KBPBESRZSA-N 1 3 339.484 0.178 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001049008876 757684702 /nfs/dbraw/zinc/68/47/02/757684702.db2.gz TVKPLDBFOLXDIN-UVPYHEFZSA-N 1 3 336.480 0.241 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001049008876 757684707 /nfs/dbraw/zinc/68/47/07/757684707.db2.gz TVKPLDBFOLXDIN-UVPYHEFZSA-N 1 3 336.480 0.241 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001049057327 757803095 /nfs/dbraw/zinc/80/30/95/757803095.db2.gz DONZTVPLGAMJFX-QXSJWSMHSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001049057327 757803105 /nfs/dbraw/zinc/80/31/05/757803105.db2.gz DONZTVPLGAMJFX-QXSJWSMHSA-N 1 3 348.491 0.386 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1)[NH+](C)C ZINC001076973945 757815068 /nfs/dbraw/zinc/81/50/68/757815068.db2.gz FTJXQWLPHHDLBQ-VYDXJSESSA-N 1 3 340.512 0.925 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)n1 ZINC001077014200 757941557 /nfs/dbraw/zinc/94/15/57/757941557.db2.gz ILHSUCPWILSQGU-HZPDHXFCSA-N 1 3 335.452 0.020 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011647711 758206408 /nfs/dbraw/zinc/20/64/08/758206408.db2.gz JPHAENOMHQZVIK-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001011647711 758206420 /nfs/dbraw/zinc/20/64/20/758206420.db2.gz JPHAENOMHQZVIK-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001022103514 758281493 /nfs/dbraw/zinc/28/14/93/758281493.db2.gz IIIRYJBJYPGHKK-GUIRCDHDSA-N 1 3 349.431 0.725 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001022103514 758281498 /nfs/dbraw/zinc/28/14/98/758281498.db2.gz IIIRYJBJYPGHKK-GUIRCDHDSA-N 1 3 349.431 0.725 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001022118895 758298348 /nfs/dbraw/zinc/29/83/48/758298348.db2.gz ACHHXUKUYPNTRQ-WTTBNOFXSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001022118895 758298355 /nfs/dbraw/zinc/29/83/55/758298355.db2.gz ACHHXUKUYPNTRQ-WTTBNOFXSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1nn(C)cc1C[N@H+]1C[C@H]2CN(C(=O)CN3CCCC3)C[C@H]2C1 ZINC001049215319 758341492 /nfs/dbraw/zinc/34/14/92/758341492.db2.gz SMGKNCPZAFNPSN-CALCHBBNSA-N 1 3 331.464 0.715 20 0 ECADHO Cc1nn(C)cc1C[N@@H+]1C[C@H]2CN(C(=O)CN3CCCC3)C[C@H]2C1 ZINC001049215319 758341499 /nfs/dbraw/zinc/34/14/99/758341499.db2.gz SMGKNCPZAFNPSN-CALCHBBNSA-N 1 3 331.464 0.715 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001077151317 758355156 /nfs/dbraw/zinc/35/51/56/758355156.db2.gz NGMGVVBVLSMBMA-RRFJBIMHSA-N 1 3 328.501 0.924 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001051661526 762621941 /nfs/dbraw/zinc/62/19/41/762621941.db2.gz VLEICCRMLWCLJX-NVXWUHKLSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001051661526 762621942 /nfs/dbraw/zinc/62/19/42/762621942.db2.gz VLEICCRMLWCLJX-NVXWUHKLSA-N 1 3 349.479 0.612 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1)C1CC1 ZINC000996677615 758448221 /nfs/dbraw/zinc/44/82/21/758448221.db2.gz LSDRYRGPCKQCFM-DOTOQJQBSA-N 1 3 346.479 0.686 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)N2CCCCC2)CC1)N(C)C ZINC000996717811 758596316 /nfs/dbraw/zinc/59/63/16/758596316.db2.gz MXGSECSKFARFHK-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022452281 758743013 /nfs/dbraw/zinc/74/30/13/758743013.db2.gz LHEFNCLOWWUPPH-STYQSPRISA-N 1 3 349.475 0.656 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022452478 758743441 /nfs/dbraw/zinc/74/34/41/758743441.db2.gz MWLGAVJFWQJILS-ZXAVKRETSA-N 1 3 349.475 0.513 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022493825 758799196 /nfs/dbraw/zinc/79/91/96/758799196.db2.gz XPEVQYLTXMNRCE-UXLLHSPISA-N 1 3 346.479 0.909 20 0 ECADHO COCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049609722 758989222 /nfs/dbraw/zinc/98/92/22/758989222.db2.gz HWGBLODZFZMUDH-RVKOJVRFSA-N 1 3 349.475 0.561 20 0 ECADHO COCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049609722 758989227 /nfs/dbraw/zinc/98/92/27/758989227.db2.gz HWGBLODZFZMUDH-RVKOJVRFSA-N 1 3 349.475 0.561 20 0 ECADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001022711059 759022988 /nfs/dbraw/zinc/02/29/88/759022988.db2.gz RQNUVCFIIRYFRT-PVTKRXDGSA-N 1 3 328.432 0.310 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001022712379 759026338 /nfs/dbraw/zinc/02/63/38/759026338.db2.gz PRXPNBLCJMOPSK-BYNSBNAKSA-N 1 3 332.452 0.487 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)n1 ZINC001022717003 759031928 /nfs/dbraw/zinc/03/19/28/759031928.db2.gz MCSMYEJLZGUWIU-IYBDPMFKSA-N 1 3 348.495 0.864 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001022838422 759158779 /nfs/dbraw/zinc/15/87/79/759158779.db2.gz NRBZUSPZMOXQRY-IYBDPMFKSA-N 1 3 346.435 0.792 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCO)cn1 ZINC001049783023 759199727 /nfs/dbraw/zinc/19/97/27/759199727.db2.gz SSBDKDZIUVCWNQ-CVEARBPZSA-N 1 3 335.452 0.116 20 0 ECADHO O=C(N[C@@H]1CN(C[C@H]2CCCCO2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607367 759270612 /nfs/dbraw/zinc/27/06/12/759270612.db2.gz UOYYVTQOTJEDOG-ZACQAIPSSA-N 1 3 344.415 0.678 20 0 ECADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001047735558 759469311 /nfs/dbraw/zinc/46/93/11/759469311.db2.gz BOYWYJPXRZZSBN-GUTXKFCHSA-N 1 3 333.436 0.400 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001107042704 759505361 /nfs/dbraw/zinc/50/53/61/759505361.db2.gz ZAIZTJARIQYLPP-HUUCEWRRSA-N 1 3 347.525 0.445 20 0 ECADHO CN1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001017344587 767873557 /nfs/dbraw/zinc/87/35/57/767873557.db2.gz LLAGBZPHEJUMII-HOTGVXAUSA-N 1 3 334.464 0.450 20 0 ECADHO CN1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001017344587 767873565 /nfs/dbraw/zinc/87/35/65/767873565.db2.gz LLAGBZPHEJUMII-HOTGVXAUSA-N 1 3 334.464 0.450 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001050120302 759750573 /nfs/dbraw/zinc/75/05/73/759750573.db2.gz ZNPODVUCPZMQQL-XUWVNRHRSA-N 1 3 336.480 0.657 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001050120302 759750574 /nfs/dbraw/zinc/75/05/74/759750574.db2.gz ZNPODVUCPZMQQL-XUWVNRHRSA-N 1 3 336.480 0.657 20 0 ECADHO C[C@H](NCc1nncn1C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047987502 759778837 /nfs/dbraw/zinc/77/88/37/759778837.db2.gz BWPSPEZHNDPSEG-GOEBONIOSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048007445 759815649 /nfs/dbraw/zinc/81/56/49/759815649.db2.gz MYHVWSVCDKIPGN-HOTGVXAUSA-N 1 3 348.495 0.874 20 0 ECADHO CCn1nncc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058817 759898795 /nfs/dbraw/zinc/89/87/95/759898795.db2.gz KEDKPXPXKILBGB-CABCVRRESA-N 1 3 334.468 0.720 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001054296295 767903956 /nfs/dbraw/zinc/90/39/56/767903956.db2.gz PTDSZOPOOMQLPB-OAGGEKHMSA-N 1 3 338.496 0.774 20 0 ECADHO CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050237533 760024565 /nfs/dbraw/zinc/02/45/65/760024565.db2.gz SBPHOMXVXJLCIW-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001050368110 760190731 /nfs/dbraw/zinc/19/07/31/760190731.db2.gz SAMXDABGPMGRJR-KLHDSHLOSA-N 1 3 336.480 0.624 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001050385339 760211482 /nfs/dbraw/zinc/21/14/82/760211482.db2.gz AJFGRTSSEUZASN-BZUAXINKSA-N 1 3 348.495 0.922 20 0 ECADHO Cn1ncc(CNC[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001050385339 760211490 /nfs/dbraw/zinc/21/14/90/760211490.db2.gz AJFGRTSSEUZASN-BZUAXINKSA-N 1 3 348.495 0.922 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001050389209 760218136 /nfs/dbraw/zinc/21/81/36/760218136.db2.gz OUQSXQXZADXBLN-KKUMJFAQSA-N 1 3 347.463 0.804 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000911163807 760224467 /nfs/dbraw/zinc/22/44/67/760224467.db2.gz ZJTXFWQUWYZTNA-MAUKXSAKSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNCc1cn(C)nn1 ZINC001048305400 760265294 /nfs/dbraw/zinc/26/52/94/760265294.db2.gz SPYURKLVYJRPMJ-HUUCEWRRSA-N 1 3 346.479 0.628 20 0 ECADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001048387929 760420321 /nfs/dbraw/zinc/42/03/21/760420321.db2.gz SZFVRELKNLTSRS-LSDHHAIUSA-N 1 3 348.495 0.731 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)CN1CCCC1 ZINC001012622199 760452884 /nfs/dbraw/zinc/45/28/84/760452884.db2.gz SKQBILGHPDYQFE-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO CN(C)C1(C(=O)N2CC3(C2)CC[NH+]([C@H]2CCCNC2=O)CC3)CCC1 ZINC001050542540 760461377 /nfs/dbraw/zinc/46/13/77/760461377.db2.gz GGVRUGCCDMJSKH-HNNXBMFYSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CCn1cncn1)CC2)N(C)C ZINC001050553396 760482327 /nfs/dbraw/zinc/48/23/27/760482327.db2.gz BZVZRGKYABKXKL-INIZCTEOSA-N 1 3 348.495 0.789 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N2C[C@H](NCCF)C(C)(C)C2)n1 ZINC000995812340 760639144 /nfs/dbraw/zinc/63/91/44/760639144.db2.gz LJWFHCLHDCUGNZ-AWEZNQCLSA-N 1 3 325.432 0.854 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2)N(C)C ZINC001050669081 760648907 /nfs/dbraw/zinc/64/89/07/760648907.db2.gz OXGNZGKKGIDRPE-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1NCC(=O)N1CCC1 ZINC000995824510 760658336 /nfs/dbraw/zinc/65/83/36/760658336.db2.gz PUSCCEJUYDQJJW-HOTGVXAUSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001048527954 760664807 /nfs/dbraw/zinc/66/48/07/760664807.db2.gz QWVXKAREQOUVKV-ZTYXSZCMSA-N 1 3 336.480 0.560 20 0 ECADHO C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048527954 760664810 /nfs/dbraw/zinc/66/48/10/760664810.db2.gz QWVXKAREQOUVKV-ZTYXSZCMSA-N 1 3 336.480 0.560 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538410 760680845 /nfs/dbraw/zinc/68/08/45/760680845.db2.gz UAWAREQBWIFGAP-UUAJXVIYSA-N 1 3 348.491 0.848 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538410 760680851 /nfs/dbraw/zinc/68/08/51/760680851.db2.gz UAWAREQBWIFGAP-UUAJXVIYSA-N 1 3 348.491 0.848 20 0 ECADHO C[C@H](N[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C)C(N)=O ZINC000995972117 760903056 /nfs/dbraw/zinc/90/30/56/760903056.db2.gz YCFYFEXDWAFGDE-KBPBESRZSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC=C(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001017464497 768011855 /nfs/dbraw/zinc/01/18/55/768011855.db2.gz IISNEWISNOFRBA-RDJZCZTQSA-N 1 3 348.491 0.555 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC=C(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001017464497 768011862 /nfs/dbraw/zinc/01/18/62/768011862.db2.gz IISNEWISNOFRBA-RDJZCZTQSA-N 1 3 348.491 0.555 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000991490170 761189059 /nfs/dbraw/zinc/18/90/59/761189059.db2.gz WRYLNVXOVQLCPK-INIZCTEOSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000991490170 761189064 /nfs/dbraw/zinc/18/90/64/761189064.db2.gz WRYLNVXOVQLCPK-INIZCTEOSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106249859 768018165 /nfs/dbraw/zinc/01/81/65/768018165.db2.gz TTXGYULDFFCCOJ-FVQBIDKESA-N 1 3 334.468 0.302 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1)C1CC1 ZINC001112114500 762767925 /nfs/dbraw/zinc/76/79/25/762767925.db2.gz UBCGTJDZGYQKQL-UPJWGTAASA-N 1 3 337.386 0.688 20 0 ECADHO CC(C)(C(=O)N1CCO[C@H](C[NH2+]C[C@H]2CCOC2)C1)N1CCCC1 ZINC001051749652 762869731 /nfs/dbraw/zinc/86/97/31/762869731.db2.gz HVPCJPJHIVQSFL-HZPDHXFCSA-N 1 3 339.480 0.714 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001051824883 763053452 /nfs/dbraw/zinc/05/34/52/763053452.db2.gz OSXFTVKGDPJXHM-DOTOQJQBSA-N 1 3 332.448 0.883 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)CN2CCC[C@@H]2C)CCO1 ZINC001051825892 763058286 /nfs/dbraw/zinc/05/82/86/763058286.db2.gz XEKKAISLQNWFSV-YOEHRIQHSA-N 1 3 349.479 0.530 20 0 ECADHO O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001031857056 763090459 /nfs/dbraw/zinc/09/04/59/763090459.db2.gz PRLNWYPNQRPCNH-RMXPPQQLSA-N 1 3 349.475 0.324 20 0 ECADHO O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031857304 763091500 /nfs/dbraw/zinc/09/15/00/763091500.db2.gz RRHFTDDPUDIMNA-WSIVYLHMSA-N 1 3 349.475 0.467 20 0 ECADHO Cc1noc(CCCN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001046831234 763191399 /nfs/dbraw/zinc/19/13/99/763191399.db2.gz HYMJEVSFTPOKLD-RHSMWYFYSA-N 1 3 335.452 0.843 20 0 ECADHO Cc1noc(CCCN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001046831234 763191403 /nfs/dbraw/zinc/19/14/03/763191403.db2.gz HYMJEVSFTPOKLD-RHSMWYFYSA-N 1 3 335.452 0.843 20 0 ECADHO CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046904988 763353498 /nfs/dbraw/zinc/35/34/98/763353498.db2.gz YGPPIHPTTUJLPR-RHSMWYFYSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCC(C)(C)C)CC[N@@H+]1C ZINC001127689916 763529507 /nfs/dbraw/zinc/52/95/07/763529507.db2.gz BNKWPKAAAQCCIS-ZIAGYGMSSA-N 1 3 326.485 0.585 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCC(C)(C)C)CC[N@H+]1C ZINC001127689916 763529515 /nfs/dbraw/zinc/52/95/15/763529515.db2.gz BNKWPKAAAQCCIS-ZIAGYGMSSA-N 1 3 326.485 0.585 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2ccc(C(=O)NC)cc2)CC[N@@H+]1C ZINC001127690199 763533900 /nfs/dbraw/zinc/53/39/00/763533900.db2.gz GWVPHISPNCYDQS-DLBZAZTESA-N 1 3 346.475 0.982 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2ccc(C(=O)NC)cc2)CC[N@H+]1C ZINC001127690199 763533906 /nfs/dbraw/zinc/53/39/06/763533906.db2.gz GWVPHISPNCYDQS-DLBZAZTESA-N 1 3 346.475 0.982 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1)C1CC1 ZINC001052036348 763647774 /nfs/dbraw/zinc/64/77/74/763647774.db2.gz LZAPLSOQXYBOQH-ROUUACIJSA-N 1 3 334.508 0.955 20 0 ECADHO COCC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cncc3C)C2)CC1 ZINC001052051850 763713299 /nfs/dbraw/zinc/71/32/99/763713299.db2.gz DJEDDHDQSSAJPS-MRXNPFEDSA-N 1 3 335.452 0.056 20 0 ECADHO CC1CCN(CC(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC000991891823 764411303 /nfs/dbraw/zinc/41/13/03/764411303.db2.gz WTFWVEUOBFEUHF-KRWDZBQOSA-N 1 3 348.491 0.387 20 0 ECADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047482688 764480173 /nfs/dbraw/zinc/48/01/73/764480173.db2.gz GSTKFALZRSAGPV-PMPSAXMXSA-N 1 3 339.480 0.401 20 0 ECADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047482688 764480176 /nfs/dbraw/zinc/48/01/76/764480176.db2.gz GSTKFALZRSAGPV-PMPSAXMXSA-N 1 3 339.480 0.401 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CN(CC2CC(F)(F)C2)C[C@@H]1O ZINC001047595460 764821620 /nfs/dbraw/zinc/82/16/20/764821620.db2.gz DTTSDDMNLRHBMW-QEJZJMRPSA-N 1 3 345.434 0.877 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CC2CC(F)(F)C2)C[C@@H]1O ZINC001047595460 764821629 /nfs/dbraw/zinc/82/16/29/764821629.db2.gz DTTSDDMNLRHBMW-QEJZJMRPSA-N 1 3 345.434 0.877 20 0 ECADHO Cn1ccc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1=O ZINC001015649758 765124648 /nfs/dbraw/zinc/12/46/48/765124648.db2.gz ZJGCNAKGSJLVTF-INIZCTEOSA-N 1 3 332.448 0.418 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001052815796 765174499 /nfs/dbraw/zinc/17/44/99/765174499.db2.gz XASXQSCPVGZCQM-LSDHHAIUSA-N 1 3 338.496 0.633 20 0 ECADHO COCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001052984674 765460144 /nfs/dbraw/zinc/46/01/44/765460144.db2.gz TVYDQXHXYPZEGH-OIISXLGYSA-N 1 3 339.480 0.807 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001053290876 765919326 /nfs/dbraw/zinc/91/93/26/765919326.db2.gz WRWXQHIUSCICTG-CVEARBPZSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1cnnn1C ZINC001054854876 768341034 /nfs/dbraw/zinc/34/10/34/768341034.db2.gz ZPIWHGHSQZVSFA-DZGCQCFKSA-N 1 3 332.452 0.380 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(=O)N1CCC1 ZINC001054854728 768341123 /nfs/dbraw/zinc/34/11/23/768341123.db2.gz XNDNKZHWDPHGRN-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001053504560 766251073 /nfs/dbraw/zinc/25/10/73/766251073.db2.gz SZNFVFRGGOTJFQ-KBPBESRZSA-N 1 3 347.463 0.505 20 0 ECADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257327 766766498 /nfs/dbraw/zinc/76/64/98/766766498.db2.gz XTGWDNJGWHSODF-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257327 766766500 /nfs/dbraw/zinc/76/65/00/766766500.db2.gz XTGWDNJGWHSODF-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001046064505 766844169 /nfs/dbraw/zinc/84/41/69/766844169.db2.gz OROBCXOLFZVPAN-DLBZAZTESA-N 1 3 338.496 0.336 20 0 ECADHO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001046064505 766844179 /nfs/dbraw/zinc/84/41/79/766844179.db2.gz OROBCXOLFZVPAN-DLBZAZTESA-N 1 3 338.496 0.336 20 0 ECADHO CO[C@@H](C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082897 766922443 /nfs/dbraw/zinc/92/24/43/766922443.db2.gz XVVBSHXKSSXGBL-DLBZAZTESA-N 1 3 338.496 0.336 20 0 ECADHO CO[C@@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082897 766922445 /nfs/dbraw/zinc/92/24/45/766922445.db2.gz XVVBSHXKSSXGBL-DLBZAZTESA-N 1 3 338.496 0.336 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCn2cncn2)CC3)C1 ZINC001016830097 767006457 /nfs/dbraw/zinc/00/64/57/767006457.db2.gz PPGAGXNLNGBRLG-CVEARBPZSA-N 1 3 346.479 0.591 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1 ZINC001106910675 767149091 /nfs/dbraw/zinc/14/90/91/767149091.db2.gz JLVYBJZPRTWIGG-HZPDHXFCSA-N 1 3 329.485 0.675 20 0 ECADHO C[C@]1(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@H+](CCCF)C1 ZINC001046500377 767265568 /nfs/dbraw/zinc/26/55/68/767265568.db2.gz AVZQEECMALZPLC-HTUOJYHCSA-N 1 3 325.428 0.790 20 0 ECADHO C[C@]1(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@@H+](CCCF)C1 ZINC001046500377 767265570 /nfs/dbraw/zinc/26/55/70/767265570.db2.gz AVZQEECMALZPLC-HTUOJYHCSA-N 1 3 325.428 0.790 20 0 ECADHO O=C(NCC1C[NH+](C[C@H]2CCCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001031856624 767445715 /nfs/dbraw/zinc/44/57/15/767445715.db2.gz DTSZZOFSBPHAOB-RXHUYCNISA-N 1 3 349.475 0.324 20 0 ECADHO C[NH+](C)CCCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060463002 767452190 /nfs/dbraw/zinc/45/21/90/767452190.db2.gz OKAJAPALSGOJHW-CQSZACIVSA-N 1 3 335.452 0.649 20 0 ECADHO CN(C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCNC1=O ZINC001017250721 767769803 /nfs/dbraw/zinc/76/98/03/767769803.db2.gz IMVOTFUODFFHJX-GJZGRUSLSA-N 1 3 334.464 0.141 20 0 ECADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668223 768583243 /nfs/dbraw/zinc/58/32/43/768583243.db2.gz IMLWOLKRUBPQLW-OAGGEKHMSA-N 1 3 341.496 0.410 20 0 ECADHO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705193 768694123 /nfs/dbraw/zinc/69/41/23/768694123.db2.gz WCUOCTVQOGQRMT-RBSFLKMASA-N 1 3 349.479 0.893 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001055348047 768806274 /nfs/dbraw/zinc/80/62/74/768806274.db2.gz VBJCIYZQLOGJQO-IYBDPMFKSA-N 1 3 338.496 0.587 20 0 ECADHO CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1)N(C)C ZINC001055407003 768867770 /nfs/dbraw/zinc/86/77/70/768867770.db2.gz WOUAZOXLFHHVQG-XHSDSOJGSA-N 1 3 338.496 0.585 20 0 ECADHO CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1)N(C)C ZINC001055407003 768867780 /nfs/dbraw/zinc/86/77/80/768867780.db2.gz WOUAZOXLFHHVQG-XHSDSOJGSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106779325 768942755 /nfs/dbraw/zinc/94/27/55/768942755.db2.gz JFYDCAAJAFJLQE-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106785154 768965189 /nfs/dbraw/zinc/96/51/89/768965189.db2.gz YDJDVZKXLWHEJX-GDBMZVCRSA-N 1 3 338.496 0.539 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000993814882 769669877 /nfs/dbraw/zinc/66/98/77/769669877.db2.gz GTXQDFSODAUFOX-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993814882 769669881 /nfs/dbraw/zinc/66/98/81/769669881.db2.gz GTXQDFSODAUFOX-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000993830623 769699996 /nfs/dbraw/zinc/69/99/96/769699996.db2.gz KMEMGBNOURKLBR-GJZGRUSLSA-N 1 3 348.491 0.815 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000993840596 769734979 /nfs/dbraw/zinc/73/49/79/769734979.db2.gz DYQMPBNEFQWGTQ-KBPBESRZSA-N 1 3 336.480 0.671 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000993880698 769778879 /nfs/dbraw/zinc/77/88/79/769778879.db2.gz NTGKKLAYWSTJKL-JKSUJKDBSA-N 1 3 338.496 0.774 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000993871010 769822084 /nfs/dbraw/zinc/82/20/84/769822084.db2.gz VERWCWHGDKCTBO-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000993871010 769822097 /nfs/dbraw/zinc/82/20/97/769822097.db2.gz VERWCWHGDKCTBO-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO COCCN1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993987144 769967253 /nfs/dbraw/zinc/96/72/53/769967253.db2.gz LWGJUWVMPURWGN-GOEBONIOSA-N 1 3 337.468 0.674 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)C1 ZINC001018881126 770184702 /nfs/dbraw/zinc/18/47/02/770184702.db2.gz ZFDIQKWRNAOYFM-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)C1 ZINC001018881126 770184707 /nfs/dbraw/zinc/18/47/07/770184707.db2.gz ZFDIQKWRNAOYFM-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)CCC1 ZINC001018962950 770410728 /nfs/dbraw/zinc/41/07/28/770410728.db2.gz RJOSORZLKRGROD-HNNXBMFYSA-N 1 3 332.448 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C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCCN2C)C3)C1 ZINC001019441604 771290947 /nfs/dbraw/zinc/29/09/47/771290947.db2.gz PCIZTHOYDBFEJR-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001078432469 782940273 /nfs/dbraw/zinc/94/02/73/782940273.db2.gz AJBNJMWGVTWONO-DHADLLTHSA-N 1 3 349.475 0.467 20 0 ECADHO O=C(N1CC[C@H](N[C@H]2CCN(C3CCC3)C2=O)C1)C12CC[NH+](CC1)C2 ZINC001019661035 771684607 /nfs/dbraw/zinc/68/46/07/771684607.db2.gz RVUQAYLLPDBVDY-HOCLYGCPSA-N 1 3 346.475 0.426 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001020144271 772212890 /nfs/dbraw/zinc/21/28/90/772212890.db2.gz XCNIXQIZLCIPNJ-VGWMRTNUSA-N 1 3 346.479 0.875 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001020161995 772231568 /nfs/dbraw/zinc/23/15/68/772231568.db2.gz WGCVFGXFIGFFQE-BZUAXINKSA-N 1 3 346.479 0.685 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccccn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001020178892 772250082 /nfs/dbraw/zinc/25/00/82/772250082.db2.gz IDNIKYHEDYKBCN-QAETUUGQSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@H](NCc2ccccn2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001020178892 772250084 /nfs/dbraw/zinc/25/00/84/772250084.db2.gz IDNIKYHEDYKBCN-QAETUUGQSA-N 1 3 330.432 0.682 20 0 ECADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)ncn1 ZINC001020179275 772250906 /nfs/dbraw/zinc/25/09/06/772250906.db2.gz VCLMTLWKJTXRII-NXNVCVFFSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)ncn1 ZINC001020179275 772250909 /nfs/dbraw/zinc/25/09/09/772250909.db2.gz VCLMTLWKJTXRII-NXNVCVFFSA-N 1 3 345.447 0.385 20 0 ECADHO Cn1cc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CN4CCC[C@H]4CO3)C2)cn1 ZINC001020179390 772251581 /nfs/dbraw/zinc/25/15/81/772251581.db2.gz ZELRKGZUGNZYHZ-LUKYLMHMSA-N 1 3 347.463 0.063 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC[C@H]1C)NC(=O)CCC[NH+](C)C ZINC001078467586 783004203 /nfs/dbraw/zinc/00/42/03/783004203.db2.gz HWGWRQVIZRSGET-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001078472934 783019022 /nfs/dbraw/zinc/01/90/22/783019022.db2.gz LNYWUXQXLVKTJR-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001078472934 783019027 /nfs/dbraw/zinc/01/90/27/783019027.db2.gz LNYWUXQXLVKTJR-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001045148668 775056660 /nfs/dbraw/zinc/05/66/60/775056660.db2.gz DBVSFZGMMNGKAU-AWEZNQCLSA-N 1 3 334.468 0.770 20 0 ECADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001080383193 777775134 /nfs/dbraw/zinc/77/51/34/777775134.db2.gz SZPGXCOQAACGPO-KRWDZBQOSA-N 1 3 340.512 0.974 20 0 ECADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001080384163 777777716 /nfs/dbraw/zinc/77/77/16/777777716.db2.gz NFNZPZKQQMHLLZ-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001080559219 778032525 /nfs/dbraw/zinc/03/25/25/778032525.db2.gz AJPYDINIDKPFHK-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001080559219 778032532 /nfs/dbraw/zinc/03/25/32/778032532.db2.gz AJPYDINIDKPFHK-HOCLYGCPSA-N 1 3 338.496 0.728 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C12CCC2 ZINC001078794635 780499845 /nfs/dbraw/zinc/49/98/45/780499845.db2.gz JQKFFYWVCWMAHQ-CABCVRRESA-N 1 3 343.435 0.569 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)c1 ZINC001078820680 780536713 /nfs/dbraw/zinc/53/67/13/780536713.db2.gz YWBNTFNFDUHJMB-CVEARBPZSA-N 1 3 344.459 0.864 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C2)CCC1 ZINC001070209107 783661051 /nfs/dbraw/zinc/66/10/51/783661051.db2.gz MNTFKBCYIRHFHD-CABCVRRESA-N 1 3 332.452 0.514 20 0 ECADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001037931769 783710059 /nfs/dbraw/zinc/71/00/59/783710059.db2.gz GMYPEMUPDJSOJS-DZGCQCFKSA-N 1 3 331.424 0.461 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@]2(CC[N@H+](CCCO)C2)O1 ZINC001071175566 784663097 /nfs/dbraw/zinc/66/30/97/784663097.db2.gz GWGVSIRNFDMXRE-DOTOQJQBSA-N 1 3 339.480 0.545 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071175566 784663106 /nfs/dbraw/zinc/66/31/06/784663106.db2.gz GWGVSIRNFDMXRE-DOTOQJQBSA-N 1 3 339.480 0.545 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001071199835 784720263 /nfs/dbraw/zinc/72/02/63/784720263.db2.gz RDSAUMDUTCXUPW-CQSZACIVSA-N 1 3 347.463 0.710 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001071343598 784983591 /nfs/dbraw/zinc/98/35/91/784983591.db2.gz ACNCZZMJAZKHOS-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001071343598 784983596 /nfs/dbraw/zinc/98/35/96/784983596.db2.gz ACNCZZMJAZKHOS-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001072151511 785751996 /nfs/dbraw/zinc/75/19/96/785751996.db2.gz CJUHULPPJXGLIM-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001072151511 785751999 /nfs/dbraw/zinc/75/19/99/785751999.db2.gz CJUHULPPJXGLIM-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001072286506 785979376 /nfs/dbraw/zinc/97/93/76/785979376.db2.gz LGFOGXJWERTKDM-GOEBONIOSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073632054 786821651 /nfs/dbraw/zinc/82/16/51/786821651.db2.gz WVQAJLMQRAXGLL-SJORKVTESA-N 1 3 341.496 0.554 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001073632054 786821661 /nfs/dbraw/zinc/82/16/61/786821661.db2.gz WVQAJLMQRAXGLL-SJORKVTESA-N 1 3 341.496 0.554 20 0 ECADHO COCCN1CCCO[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001073841837 787328424 /nfs/dbraw/zinc/32/84/24/787328424.db2.gz UNACOLVINGMMNU-KRWDZBQOSA-N 1 3 341.496 0.960 20 0 ECADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)n[nH]1 ZINC001074654865 787515912 /nfs/dbraw/zinc/51/59/12/787515912.db2.gz HVMSBIWITGKRDJ-CQDKDKBSSA-N 1 3 332.452 0.534 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001072626455 788463100 /nfs/dbraw/zinc/46/31/00/788463100.db2.gz HWTALRKAOKECHS-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001072799333 788823874 /nfs/dbraw/zinc/82/38/74/788823874.db2.gz VVFRZTUJINICFA-DZGCQCFKSA-N 1 3 335.452 0.647 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001072801340 788832247 /nfs/dbraw/zinc/83/22/47/788832247.db2.gz QDBWWBFTULMRDB-GXTWGEPZSA-N 1 3 333.436 0.257 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001072801355 788832712 /nfs/dbraw/zinc/83/27/12/788832712.db2.gz QGNPPUXXLOZFGL-GDBMZVCRSA-N 1 3 347.463 0.791 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001075087982 788883433 /nfs/dbraw/zinc/88/34/33/788883433.db2.gz FJSDTGGQGOIVIB-GXTWGEPZSA-N 1 3 335.452 0.708 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)C1=O ZINC001075108880 788917275 /nfs/dbraw/zinc/91/72/75/788917275.db2.gz VAWLVFHKWSSYRN-HRCADAONSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001075156324 788995678 /nfs/dbraw/zinc/99/56/78/788995678.db2.gz USTGCKYPJOTTEQ-GJZGRUSLSA-N 1 3 326.485 0.774 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C[NH2+]Cc1cnnn1C ZINC001075291162 789176031 /nfs/dbraw/zinc/17/60/31/789176031.db2.gz ZDOACTZCZADNNI-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN([C@@H]1CCCN(C)C1=O)C2 ZINC001072982119 789213791 /nfs/dbraw/zinc/21/37/91/789213791.db2.gz ZVVBFKGNIWRYHL-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN([C@@H]1CCCN(C)C1=O)C2 ZINC001072982119 789213796 /nfs/dbraw/zinc/21/37/96/789213796.db2.gz ZVVBFKGNIWRYHL-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCc2cnn(C)c2)C3)C1 ZINC001072983088 789216556 /nfs/dbraw/zinc/21/65/56/789216556.db2.gz KUTAJQKKOCSPGZ-INIZCTEOSA-N 1 3 345.491 0.839 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCc2cnn(C)c2)C3)C1 ZINC001072983088 789216562 /nfs/dbraw/zinc/21/65/62/789216562.db2.gz KUTAJQKKOCSPGZ-INIZCTEOSA-N 1 3 345.491 0.839 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001075335601 789229066 /nfs/dbraw/zinc/22/90/66/789229066.db2.gz PXMPSQWRSBOBGN-DZGCQCFKSA-N 1 3 330.436 0.960 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001073016102 789276852 /nfs/dbraw/zinc/27/68/52/789276852.db2.gz JBCJOUHKEUJZJL-CQSZACIVSA-N 1 3 345.447 0.403 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001073016102 789276857 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CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC1CCCC1 ZINC001266718081 836193694 /nfs/dbraw/zinc/19/36/94/836193694.db2.gz AUUWMCYJEBPWAW-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CN(CCNCC(=O)N1CCCCCC1)C(=O)CCC[NH+](C)C ZINC001266819199 836344418 /nfs/dbraw/zinc/34/44/18/836344418.db2.gz BRQJGGFURHQMRR-UHFFFAOYSA-N 1 3 326.485 0.779 20 0 ECADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)COC1CC[NH+](C)CC1 ZINC001266928398 836486266 /nfs/dbraw/zinc/48/62/66/836486266.db2.gz IDHPZZCWDBYAJL-UHFFFAOYSA-N 1 3 342.484 0.060 20 0 ECADHO CCCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266966124 836536368 /nfs/dbraw/zinc/53/63/68/836536368.db2.gz ZUTICJYNIFDWMM-ILXRZTDVSA-N 1 3 326.485 0.727 20 0 ECADHO CCCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266966124 836536375 /nfs/dbraw/zinc/53/63/75/836536375.db2.gz ZUTICJYNIFDWMM-ILXRZTDVSA-N 1 3 326.485 0.727 20 0 ECADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266966125 836536490 /nfs/dbraw/zinc/53/64/90/836536490.db2.gz ZUTICJYNIFDWMM-KKUMJFAQSA-N 1 3 326.485 0.727 20 0 ECADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266966125 836536497 /nfs/dbraw/zinc/53/64/97/836536497.db2.gz ZUTICJYNIFDWMM-KKUMJFAQSA-N 1 3 326.485 0.727 20 0 ECADHO CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001267178673 836921455 /nfs/dbraw/zinc/92/14/55/836921455.db2.gz DKGSCTYWCXYXGX-HNNXBMFYSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)N(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001267334431 837218091 /nfs/dbraw/zinc/21/80/91/837218091.db2.gz KUXYGXZKHMEOFK-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CC(C)N(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(=O)N(C)C ZINC001267334431 837218100 /nfs/dbraw/zinc/21/81/00/837218100.db2.gz KUXYGXZKHMEOFK-OAHLLOKOSA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)C1CC[NH+](C)CC1 ZINC001408754871 838272613 /nfs/dbraw/zinc/27/26/13/838272613.db2.gz LAUVMNDVJPVRLM-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCCN1C ZINC001408760364 838312572 /nfs/dbraw/zinc/31/25/72/838312572.db2.gz CLSBPOFTHCGCOI-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCCN1C ZINC001408760364 838312580 /nfs/dbraw/zinc/31/25/80/838312580.db2.gz CLSBPOFTHCGCOI-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001408830614 838582257 /nfs/dbraw/zinc/58/22/57/838582257.db2.gz UMKGJRSOWWSAEQ-XHSDSOJGSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)N1CCN(CCC[NH+]2CCC3(CNC(=O)N3C)CC2)CC1 ZINC000425540292 210069910 /nfs/dbraw/zinc/06/99/10/210069910.db2.gz LKCSFXIOQQUXRZ-UHFFFAOYSA-N 1 3 337.512 0.892 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)[C@@H]2C1 ZINC000425404378 210053378 /nfs/dbraw/zinc/05/33/78/210053378.db2.gz PSMXZJQILDFJDX-VVLHAWIVSA-N 1 3 348.491 0.482 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)[C@@H]2C1 ZINC000425404378 210053381 /nfs/dbraw/zinc/05/33/81/210053381.db2.gz PSMXZJQILDFJDX-VVLHAWIVSA-N 1 3 348.491 0.482 20 0 ECADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000354965001 299173594 /nfs/dbraw/zinc/17/35/94/299173594.db2.gz RRBCNBRMNGFVOX-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422112823 283057644 /nfs/dbraw/zinc/05/76/44/283057644.db2.gz GZZZRKVTROOHBA-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422112823 283057646 /nfs/dbraw/zinc/05/76/46/283057646.db2.gz GZZZRKVTROOHBA-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C1 ZINC000423725534 283057677 /nfs/dbraw/zinc/05/76/77/283057677.db2.gz HRSJXUZFSFCHLC-HRCADAONSA-N 1 3 338.496 0.763 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C1 ZINC000423725534 283057678 /nfs/dbraw/zinc/05/76/78/283057678.db2.gz HRSJXUZFSFCHLC-HRCADAONSA-N 1 3 338.496 0.763 20 0 ECADHO CCOC(=O)C1([C@H](C)NCCS(=O)(=O)NC(C)C)CC[NH2+]CC1 ZINC000422937905 209677346 /nfs/dbraw/zinc/67/73/46/209677346.db2.gz DEIWWJXPUBKIMP-ZDUSSCGKSA-N 1 3 349.497 0.225 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000419118322 295907778 /nfs/dbraw/zinc/90/77/78/295907778.db2.gz IKNBJSJXDNAOGC-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)C2)C1 ZINC000460026767 283165146 /nfs/dbraw/zinc/16/51/46/283165146.db2.gz USUMWCSMBPJRPG-LPHOPBHVSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)C2)C1 ZINC000460026767 283165148 /nfs/dbraw/zinc/16/51/48/283165148.db2.gz USUMWCSMBPJRPG-LPHOPBHVSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000129368617 223049046 /nfs/dbraw/zinc/04/90/46/223049046.db2.gz LQHDELULWCQBRM-KGLIPLIRSA-N 1 3 343.493 0.948 20 0 ECADHO C[C@@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000420402146 209361642 /nfs/dbraw/zinc/36/16/42/209361642.db2.gz JRUNWOWFEMYRFY-HZPDHXFCSA-N 1 3 346.479 0.432 20 0 ECADHO C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C[C@H](O)CN ZINC000420356655 209357600 /nfs/dbraw/zinc/35/76/00/209357600.db2.gz RFWSXIFEWVRPGG-MRXNPFEDSA-N 1 3 338.427 0.116 20 0 ECADHO C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C[C@H](O)CN ZINC000420356655 209357602 /nfs/dbraw/zinc/35/76/02/209357602.db2.gz RFWSXIFEWVRPGG-MRXNPFEDSA-N 1 3 338.427 0.116 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420207606 209341217 /nfs/dbraw/zinc/34/12/17/209341217.db2.gz QICXRYXMPDVGJH-HUUCEWRRSA-N 1 3 326.485 0.810 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000420114202 209310346 /nfs/dbraw/zinc/31/03/46/209310346.db2.gz DBHQVRVKOGRCJI-LSDHHAIUSA-N 1 3 326.485 0.858 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N1CCC[C@@H](C)C1 ZINC000420071231 209297261 /nfs/dbraw/zinc/29/72/61/209297261.db2.gz WLVAGCZBMPSWIS-LVQVYYBASA-N 1 3 338.496 0.857 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000420059587 209291582 /nfs/dbraw/zinc/29/15/82/209291582.db2.gz GLXQBIFEURRGEU-INIZCTEOSA-N 1 3 338.496 0.953 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038013 209285667 /nfs/dbraw/zinc/28/56/67/209285667.db2.gz MPFUDKSDYKFVOW-MJBXVCDLSA-N 1 3 340.468 0.064 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038013 209285669 /nfs/dbraw/zinc/28/56/69/209285669.db2.gz MPFUDKSDYKFVOW-MJBXVCDLSA-N 1 3 340.468 0.064 20 0 ECADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[NH3+])c1 ZINC000419994195 209272482 /nfs/dbraw/zinc/27/24/82/209272482.db2.gz GGYMKHZCSFGKLX-CYBMUJFWSA-N 1 3 336.436 0.049 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000132065861 223296706 /nfs/dbraw/zinc/29/67/06/223296706.db2.gz FLBMHNBATLEWPM-KRWDZBQOSA-N 1 3 336.436 0.116 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419909862 209246693 /nfs/dbraw/zinc/24/66/93/209246693.db2.gz ZLPKHQLCYBRIGH-HUUCEWRRSA-N 1 3 326.485 0.537 20 0 ECADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419898484 209243133 /nfs/dbraw/zinc/24/31/33/209243133.db2.gz ZXTCLMATLAWALA-OAHLLOKOSA-N 1 3 336.411 0.194 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419866149 209231002 /nfs/dbraw/zinc/23/10/02/209231002.db2.gz PRDJSODDGGZGBV-QGZVFWFLSA-N 1 3 346.475 0.950 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419853292 209226856 /nfs/dbraw/zinc/22/68/56/209226856.db2.gz FAHLSIWTYOJBTL-HOTGVXAUSA-N 1 3 336.480 0.579 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000419835952 209218351 /nfs/dbraw/zinc/21/83/51/209218351.db2.gz VLGSXXVUJVVJSB-PMPSAXMXSA-N 1 3 330.432 0.546 20 0 ECADHO N[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000419835952 209218352 /nfs/dbraw/zinc/21/83/52/209218352.db2.gz VLGSXXVUJVVJSB-PMPSAXMXSA-N 1 3 330.432 0.546 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000419823635 209214578 /nfs/dbraw/zinc/21/45/78/209214578.db2.gz MDQAGSVZEZTLQZ-PMPSAXMXSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000419823635 209214580 /nfs/dbraw/zinc/21/45/80/209214580.db2.gz MDQAGSVZEZTLQZ-PMPSAXMXSA-N 1 3 336.480 0.753 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](CN)C1CCCCC1)C[NH+]1CCCC1 ZINC000419818611 209212856 /nfs/dbraw/zinc/21/28/56/209212856.db2.gz JIDURRNZGMCCHU-ZBFHGGJFSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000419781521 209203623 /nfs/dbraw/zinc/20/36/23/209203623.db2.gz SGIHAFXBJMRJQA-ZFWWWQNUSA-N 1 3 338.496 0.809 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419772995 209202087 /nfs/dbraw/zinc/20/20/87/209202087.db2.gz IFWADMCJZGBTNE-CYBMUJFWSA-N 1 3 326.485 0.857 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000419759376 209198718 /nfs/dbraw/zinc/19/87/18/209198718.db2.gz GUCKZAYOWPRABE-BBRMVZONSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419729174 209190260 /nfs/dbraw/zinc/19/02/60/209190260.db2.gz NXZPKZXJCXZMPV-WMLDXEAASA-N 1 3 344.459 0.806 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000262825511 245196934 /nfs/dbraw/zinc/19/69/34/245196934.db2.gz HHAMZVLNTXKYBS-GOSISDBHSA-N 1 3 348.491 0.626 20 0 ECADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419667565 209165494 /nfs/dbraw/zinc/16/54/94/209165494.db2.gz BXZSCCWINWRNTN-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000419656730 209160107 /nfs/dbraw/zinc/16/01/07/209160107.db2.gz IQZHYJYSONFKTF-PVAVHDDUSA-N 1 3 344.459 0.715 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419634223 209151438 /nfs/dbraw/zinc/15/14/38/209151438.db2.gz DWYPALSAGXEVQK-INIZCTEOSA-N 1 3 334.464 0.998 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420049873 284341591 /nfs/dbraw/zinc/34/15/91/284341591.db2.gz YOERLGVKPVMHDY-HZSPNIEDSA-N 1 3 340.468 0.016 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420049873 284341593 /nfs/dbraw/zinc/34/15/93/284341593.db2.gz YOERLGVKPVMHDY-HZSPNIEDSA-N 1 3 340.468 0.016 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419590373 209134985 /nfs/dbraw/zinc/13/49/85/209134985.db2.gz QFAXSICFKQIDGY-HZPDHXFCSA-N 1 3 332.448 0.793 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)C1CCCC1 ZINC000419538721 209121236 /nfs/dbraw/zinc/12/12/36/209121236.db2.gz XLYPMSHVWOUGPZ-GPANFISMSA-N 1 3 336.480 0.753 20 0 ECADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000449339865 211279831 /nfs/dbraw/zinc/27/98/31/211279831.db2.gz ZQBWUWQGLLTKEF-CZUORRHYSA-N 1 3 332.448 0.450 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000447437445 211189293 /nfs/dbraw/zinc/18/92/93/211189293.db2.gz DHQSVNLNQRBWHV-QGZVFWFLSA-N 1 3 335.448 0.623 20 0 ECADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)CN1CCN(C)CC1 ZINC000445847936 211123810 /nfs/dbraw/zinc/12/38/10/211123810.db2.gz UKGDHTDWGHVDSB-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO CN(C)[C@H]1CCC[C@H](NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000357237112 299543967 /nfs/dbraw/zinc/54/39/67/299543967.db2.gz GGAOJXPPWXHLBI-STQMWFEESA-N 1 3 331.482 0.142 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000410997885 208050151 /nfs/dbraw/zinc/05/01/51/208050151.db2.gz PJZHKOCAWHULSY-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](N(C)C)[C@@H](SC)C2)CC1 ZINC000411428293 208101310 /nfs/dbraw/zinc/10/13/10/208101310.db2.gz SFBCBDZQUQJSBU-CABCVRRESA-N 1 3 328.526 0.564 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000411800880 208148282 /nfs/dbraw/zinc/14/82/82/208148282.db2.gz ZMFZLECEFKDVCE-LSDHHAIUSA-N 1 3 325.453 0.908 20 0 ECADHO C[C@@H](C(=O)NCCc1ccccc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430607381 210387904 /nfs/dbraw/zinc/38/79/04/210387904.db2.gz YLTGVRUHLCXOLR-DOTOQJQBSA-N 1 3 346.475 0.521 20 0 ECADHO CC1(C)NC(=O)N(CCCN2CCC(OCCC[NH3+])CC2)C1=O ZINC000430590910 210384984 /nfs/dbraw/zinc/38/49/84/210384984.db2.gz MGDUNHDRWZFZDJ-UHFFFAOYSA-N 1 3 326.441 0.537 20 0 ECADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430651843 210394041 /nfs/dbraw/zinc/39/40/41/210394041.db2.gz MGZFPAXZQQEYFC-WBVHZDCISA-N 1 3 346.475 0.820 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN[C@@](C)(C[NH3+])C2CC2)C1 ZINC000430571422 210382867 /nfs/dbraw/zinc/38/28/67/210382867.db2.gz MFVFBHCSKJCXPM-RDJZCZTQSA-N 1 3 326.485 0.176 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+][C@@](C)(CN)C2CC2)C1 ZINC000430571422 210382870 /nfs/dbraw/zinc/38/28/70/210382870.db2.gz MFVFBHCSKJCXPM-RDJZCZTQSA-N 1 3 326.485 0.176 20 0 ECADHO CCN1CCC(NC(=O)CN2CCC(OCCC[NH3+])CC2)CC1 ZINC000430561348 210382274 /nfs/dbraw/zinc/38/22/74/210382274.db2.gz KKWMWASSROCJSE-UHFFFAOYSA-N 1 3 326.485 0.417 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418608247 208828595 /nfs/dbraw/zinc/82/85/95/208828595.db2.gz RMZZESVEAURTHY-GJZGRUSLSA-N 1 3 339.484 0.323 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000129311818 285187930 /nfs/dbraw/zinc/18/79/30/285187930.db2.gz BIUAOXHTFVGEEI-MRXNPFEDSA-N 1 3 338.496 0.241 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(C)C ZINC000357582638 299594701 /nfs/dbraw/zinc/59/47/01/299594701.db2.gz TYLRKYYZYULUSB-MRXNPFEDSA-N 1 3 340.512 0.974 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419230995 209033273 /nfs/dbraw/zinc/03/32/73/209033273.db2.gz QUPOIOINUQCNGC-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419227517 209034008 /nfs/dbraw/zinc/03/40/08/209034008.db2.gz KQMZYBPQGWXVLS-BFYDXBDKSA-N 1 3 346.475 0.724 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000419367465 209071195 /nfs/dbraw/zinc/07/11/95/209071195.db2.gz DDFGTGGKGDIEQL-OAHLLOKOSA-N 1 3 326.485 0.585 20 0 ECADHO C[C@@H](NC(=O)NCC1CCN(CCO)CC1)C(C)(C)C[NH+](C)C ZINC000120559622 296645600 /nfs/dbraw/zinc/64/56/00/296645600.db2.gz VRSUELSKAPTPPU-CQSZACIVSA-N 1 3 328.501 0.966 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419097279 286833686 /nfs/dbraw/zinc/83/36/86/286833686.db2.gz DMVFHJHWSWKZHH-XHSDSOJGSA-N 1 3 336.480 0.720 20 0 ECADHO CCOC(=O)Cn1nc(C)c(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000262168712 165303626 /nfs/dbraw/zinc/30/36/26/165303626.db2.gz UWDQQNIRAYTXBZ-MRXNPFEDSA-N 1 3 349.479 0.543 20 0 ECADHO CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000262514293 165357385 /nfs/dbraw/zinc/35/73/85/165357385.db2.gz QBTPVINJYZKBNQ-MFKMUULPSA-N 1 3 328.438 0.236 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419401169 209081445 /nfs/dbraw/zinc/08/14/45/209081445.db2.gz OKSPRBLMXIRDKB-DZKIICNBSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401169 209081448 /nfs/dbraw/zinc/08/14/48/209081448.db2.gz OKSPRBLMXIRDKB-DZKIICNBSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000419021282 287343187 /nfs/dbraw/zinc/34/31/87/287343187.db2.gz GRVOQGOOOUQVDD-KDOFPFPSSA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000284287786 264195227 /nfs/dbraw/zinc/19/52/27/264195227.db2.gz XRKLXJWIDHNAOT-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)N(C)Cc1ccccc1 ZINC000285117182 264281099 /nfs/dbraw/zinc/28/10/99/264281099.db2.gz QUYPXNCLUXENBF-OAHLLOKOSA-N 1 3 346.475 0.834 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)N(C)Cc1ccccc1 ZINC000285117182 264281101 /nfs/dbraw/zinc/28/11/01/264281101.db2.gz QUYPXNCLUXENBF-OAHLLOKOSA-N 1 3 346.475 0.834 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415773066 273797226 /nfs/dbraw/zinc/79/72/26/273797226.db2.gz DEKZYHRUPIRCLY-JKSUJKDBSA-N 1 3 344.459 0.940 20 0 ECADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)N(C)C)C1CC1)[NH+](C)C ZINC000360402173 437595688 /nfs/dbraw/zinc/59/56/88/437595688.db2.gz MAGJGQWYBJYYEL-ZNMIVQPWSA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000360402173 437595692 /nfs/dbraw/zinc/59/56/92/437595692.db2.gz MAGJGQWYBJYYEL-ZNMIVQPWSA-N 1 3 326.485 0.678 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000419118607 277281689 /nfs/dbraw/zinc/28/16/89/277281689.db2.gz WZTAUWIJNCHVPD-LSDHHAIUSA-N 1 3 334.464 0.595 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000419377587 277889449 /nfs/dbraw/zinc/88/94/49/277889449.db2.gz UXFWESGKMCHEKL-CVEARBPZSA-N 1 3 338.496 0.727 20 0 ECADHO CC(CC(=O)N1CCCN(C)CC1)CC(=O)N1CCC[N@H+](C)CC1 ZINC000443917301 278155604 /nfs/dbraw/zinc/15/56/04/278155604.db2.gz CLZCYOYUEOCMGD-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CC(CC(=O)N1CCCN(C)CC1)CC(=O)N1CCC[N@@H+](C)CC1 ZINC000443917301 278155605 /nfs/dbraw/zinc/15/56/05/278155605.db2.gz CLZCYOYUEOCMGD-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419732377 279104814 /nfs/dbraw/zinc/10/48/14/279104814.db2.gz MKOONWSASZNKMU-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419143395 279135641 /nfs/dbraw/zinc/13/56/41/279135641.db2.gz DFMJHNDBQDCGIH-LSDHHAIUSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)[C@@H](C[NH3+])C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000433152702 279835745 /nfs/dbraw/zinc/83/57/45/279835745.db2.gz MYXKOWZARHHRMS-MRXNPFEDSA-N 1 3 334.464 0.825 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419084484 280247997 /nfs/dbraw/zinc/24/79/97/280247997.db2.gz YRDGJPXRAZYANH-ARFHVFGLSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000340215600 437604809 /nfs/dbraw/zinc/60/48/09/437604809.db2.gz CBTVMPSZCUAIEL-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO CC[C@H]1CN(C(=O)CCCN2CCC([NH3+])CC2)CCN1CCOC ZINC000433135828 281131529 /nfs/dbraw/zinc/13/15/29/281131529.db2.gz JWNPCKDHFKFSNF-KRWDZBQOSA-N 1 3 340.512 0.759 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000340216181 437607368 /nfs/dbraw/zinc/60/73/68/437607368.db2.gz AVDDZAPFEQVZST-LSDHHAIUSA-N 1 3 340.512 0.927 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000416982981 289153509 /nfs/dbraw/zinc/15/35/09/289153509.db2.gz WTRNHPNQAFSXAA-HOCLYGCPSA-N 1 3 325.501 0.829 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000410474078 289289722 /nfs/dbraw/zinc/28/97/22/289289722.db2.gz WLBSCXHLDNDTFC-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000410474078 289289727 /nfs/dbraw/zinc/28/97/27/289289727.db2.gz WLBSCXHLDNDTFC-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000423224137 289793166 /nfs/dbraw/zinc/79/31/66/289793166.db2.gz IHXAOYXSUNLOMG-HRCADAONSA-N 1 3 336.480 0.659 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C)C1)CC2 ZINC000410727990 290317094 /nfs/dbraw/zinc/31/70/94/290317094.db2.gz CWIZAZINZUUYRS-YVSFHVDLSA-N 1 3 348.491 0.624 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)CC2 ZINC000410727990 290317097 /nfs/dbraw/zinc/31/70/97/290317097.db2.gz CWIZAZINZUUYRS-YVSFHVDLSA-N 1 3 348.491 0.624 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423152271 295416603 /nfs/dbraw/zinc/41/66/03/295416603.db2.gz LLBNBJLFWXKVNR-HRCADAONSA-N 1 3 334.464 0.284 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000332969807 297094770 /nfs/dbraw/zinc/09/47/70/297094770.db2.gz AABCFYPEXGUCHU-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000332969807 297094771 /nfs/dbraw/zinc/09/47/71/297094771.db2.gz AABCFYPEXGUCHU-LSDHHAIUSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000333495661 297138257 /nfs/dbraw/zinc/13/82/57/297138257.db2.gz DTQWJEQVLVZAEH-INIZCTEOSA-N 1 3 349.479 0.244 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333557630 297141336 /nfs/dbraw/zinc/14/13/36/297141336.db2.gz KLEVTNYHOQCPIZ-CAPXZKIUSA-N 1 3 332.452 0.339 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333852904 297152181 /nfs/dbraw/zinc/15/21/81/297152181.db2.gz XQMAMYRZLFRMEN-IXDOHACOSA-N 1 3 337.512 0.796 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333884950 297154105 /nfs/dbraw/zinc/15/41/05/297154105.db2.gz WZQUVGZFVQHPCM-OAHLLOKOSA-N 1 3 339.484 0.324 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000333895998 297154795 /nfs/dbraw/zinc/15/47/95/297154795.db2.gz YGTRVACLCKTCOK-WMLDXEAASA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000337148143 297182226 /nfs/dbraw/zinc/18/22/26/297182226.db2.gz ZZQYSHKLXQJHKT-IAGOWNOFSA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000337148143 297182227 /nfs/dbraw/zinc/18/22/27/297182227.db2.gz ZZQYSHKLXQJHKT-IAGOWNOFSA-N 1 3 337.512 0.938 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1)C(C)C ZINC000339615853 297364995 /nfs/dbraw/zinc/36/49/95/297364995.db2.gz VCEBYNWUVWODEI-CQSZACIVSA-N 1 3 326.485 0.820 20 0 ECADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339632471 297366155 /nfs/dbraw/zinc/36/61/55/297366155.db2.gz RYFYWPQUDYDXPI-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@H](CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[NH+]1CCCCC1 ZINC000345744032 298189614 /nfs/dbraw/zinc/18/96/14/298189614.db2.gz CFWDIUBDBFTRJC-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000346570163 298296155 /nfs/dbraw/zinc/29/61/55/298296155.db2.gz PYBIRVVQNAZJEC-CVEARBPZSA-N 1 3 349.541 0.995 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000346570163 298296157 /nfs/dbraw/zinc/29/61/57/298296157.db2.gz PYBIRVVQNAZJEC-CVEARBPZSA-N 1 3 349.541 0.995 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000350968900 298742929 /nfs/dbraw/zinc/74/29/29/298742929.db2.gz CGTWPRIQJKPIHC-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCC(NC(=O)C2(C(=O)NC3CC[NH+](C)CC3)CCC2)CC1 ZINC000353315170 299036996 /nfs/dbraw/zinc/03/69/96/299036996.db2.gz QXXJFVZTWAOQCL-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)[C@]1(CNC(=O)NCC2CC[NH+](CCO)CC2)CCSC1 ZINC000360668753 300013036 /nfs/dbraw/zinc/01/30/36/300013036.db2.gz KKKKIXHYOAQSSJ-INIZCTEOSA-N 1 3 344.525 0.427 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](CC)CC ZINC000361867240 300135598 /nfs/dbraw/zinc/13/55/98/300135598.db2.gz FYSUOOHTYQCPQY-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000362896572 300231349 /nfs/dbraw/zinc/23/13/49/300231349.db2.gz LJCHNMNLLPEQMB-IRXDYDNUSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000362896572 300231352 /nfs/dbraw/zinc/23/13/52/300231352.db2.gz LJCHNMNLLPEQMB-IRXDYDNUSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000363581406 300277692 /nfs/dbraw/zinc/27/76/92/300277692.db2.gz XPCIQACLTLNVBL-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO COC(=O)[C@H]1CCC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000073428136 436078259 /nfs/dbraw/zinc/07/82/59/436078259.db2.gz BETWRZFCIFBWNY-CABCVRRESA-N 1 3 327.469 0.918 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000372447139 301002463 /nfs/dbraw/zinc/00/24/63/301002463.db2.gz QZWLHVIUXFSIMA-VQIMIIECSA-N 1 3 344.459 0.594 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000377526561 301356367 /nfs/dbraw/zinc/35/63/67/301356367.db2.gz WASYYPVPXHSYPA-CQSZACIVSA-N 1 3 341.452 0.418 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000079072934 436290100 /nfs/dbraw/zinc/29/01/00/436290100.db2.gz UDZTXVIXYBWODN-AWEZNQCLSA-N 1 3 341.500 0.521 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN(C)C(=O)OC(C)(C)C ZINC000493160674 301523882 /nfs/dbraw/zinc/52/38/82/301523882.db2.gz XXQWVELKVSQONQ-UHFFFAOYSA-N 1 3 330.473 0.805 20 0 ECADHO COCCCNC(=O)[C@H](C)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000518381582 301724452 /nfs/dbraw/zinc/72/44/52/301724452.db2.gz WTWLIKKAVVOUPI-IRXDYDNUSA-N 1 3 340.512 0.535 20 0 ECADHO CN(C)C(=O)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760252 436496033 /nfs/dbraw/zinc/49/60/33/436496033.db2.gz ZVWXSILFYNSDOG-UHFFFAOYSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000525885205 301838505 /nfs/dbraw/zinc/83/85/05/301838505.db2.gz BMPBYDWFPZEPBD-UHFFFAOYSA-N 1 3 346.439 0.619 20 0 ECADHO COC(=O)NCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000107578675 436613857 /nfs/dbraw/zinc/61/38/57/436613857.db2.gz ALEWNXPWEDOHBP-UHFFFAOYSA-N 1 3 326.441 0.407 20 0 ECADHO C[C@@H](NC(=O)C1CCCC1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551763119 302363117 /nfs/dbraw/zinc/36/31/17/302363117.db2.gz WZHZYGRXWLAVCW-CQSZACIVSA-N 1 3 326.485 0.633 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccn1 ZINC000557186150 302454979 /nfs/dbraw/zinc/45/49/79/302454979.db2.gz NLNKOSCVLPWCSO-JKSUJKDBSA-N 1 3 347.463 0.915 20 0 ECADHO CN(C)CCNC(=O)CC1(CC(=O)NCC[NH+](C)C)CCCC1 ZINC000120205879 436681727 /nfs/dbraw/zinc/68/17/27/436681727.db2.gz GHIPKIMBGRIDRK-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)n1 ZINC000152413227 436730000 /nfs/dbraw/zinc/73/00/00/436730000.db2.gz OUWGECVPARMNHS-AWEZNQCLSA-N 1 3 348.451 0.080 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)C[NH+]1CCN(C)CC1 ZINC000237448438 436736714 /nfs/dbraw/zinc/73/67/14/436736714.db2.gz HRAAVXHUJOLYMQ-QAPCUYQASA-N 1 3 330.476 0.701 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)CCn3ccccc3=O)CC2)CC1 ZINC000124367539 436749590 /nfs/dbraw/zinc/74/95/90/436749590.db2.gz XAJJVYTYHMABGX-UHFFFAOYSA-N 1 3 346.475 0.913 20 0 ECADHO O=C(CCN1CCN(c2ccccc2)CC1)NCCN1CC[NH2+]CC1 ZINC000238025163 436753493 /nfs/dbraw/zinc/75/34/93/436753493.db2.gz NGDLDNYBVNVTCI-UHFFFAOYSA-N 1 3 345.491 0.220 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000126173794 436783832 /nfs/dbraw/zinc/78/38/32/436783832.db2.gz XEXBXTKGMWXPLJ-UHFFFAOYSA-N 1 3 333.436 0.432 20 0 ECADHO C[C@@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)N(C)C1CC1 ZINC000154728691 436784600 /nfs/dbraw/zinc/78/46/00/436784600.db2.gz KMEAKSSGBJQOIH-AWEZNQCLSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)N(C)C1CC1 ZINC000154728691 436784601 /nfs/dbraw/zinc/78/46/01/436784601.db2.gz KMEAKSSGBJQOIH-AWEZNQCLSA-N 1 3 326.485 0.957 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262341144 436926304 /nfs/dbraw/zinc/92/63/04/436926304.db2.gz GCJMMQMJKNTJGR-ROUUACIJSA-N 1 3 346.475 0.163 20 0 ECADHO C[C@H](NCCN1C(=O)CNC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000134128717 436890939 /nfs/dbraw/zinc/89/09/39/436890939.db2.gz XBDFLXGFGBGCDJ-ZDUSSCGKSA-N 1 3 334.420 0.829 20 0 ECADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164268520 436931269 /nfs/dbraw/zinc/93/12/69/436931269.db2.gz YMGGMEKNERGIRP-IXDOHACOSA-N 1 3 332.496 0.917 20 0 ECADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164268520 436931272 /nfs/dbraw/zinc/93/12/72/436931272.db2.gz YMGGMEKNERGIRP-IXDOHACOSA-N 1 3 332.496 0.917 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000262443212 436934257 /nfs/dbraw/zinc/93/42/57/436934257.db2.gz TWMVBFRDGOKOOV-JKSUJKDBSA-N 1 3 348.447 0.420 20 0 ECADHO COC1(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000165566792 436934911 /nfs/dbraw/zinc/93/49/11/436934911.db2.gz AHAGYOQJPLBXNK-GASCZTMLSA-N 1 3 327.469 0.761 20 0 ECADHO C[C@@H]1CN(CC2CC[NH+](CCCC(=O)NC(N)=O)CC2)C[C@@H](C)O1 ZINC000170779972 436953697 /nfs/dbraw/zinc/95/36/97/436953697.db2.gz XYDSIOGHGGOXRE-ZIAGYGMSSA-N 1 3 340.468 0.783 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263279441 436960726 /nfs/dbraw/zinc/96/07/26/436960726.db2.gz TZKUJTMOIULDLL-YJBOKZPZSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CNC(=O)NCC1CCN(CCO)CC1)C[NH+]1CCCC1 ZINC000171902840 436991757 /nfs/dbraw/zinc/99/17/57/436991757.db2.gz QMOKQFASTGKEEN-OAHLLOKOSA-N 1 3 326.485 0.722 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000331483603 437102753 /nfs/dbraw/zinc/10/27/53/437102753.db2.gz XPGQICLFQPBCIJ-UGUYLWEFSA-N 1 3 336.480 0.420 20 0 ECADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000333644150 437279602 /nfs/dbraw/zinc/27/96/02/437279602.db2.gz IUBLQLRGUTVBFF-STQMWFEESA-N 1 3 349.401 0.312 20 0 ECADHO CN1CCN(CCNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1(C)C ZINC000333731658 437283565 /nfs/dbraw/zinc/28/35/65/437283565.db2.gz HXKOBMDOQWPBEC-HRCADAONSA-N 1 3 337.512 0.700 20 0 ECADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333820552 437289780 /nfs/dbraw/zinc/28/97/80/437289780.db2.gz RAEIPCCWWQNMCX-DLBZAZTESA-N 1 3 335.496 0.692 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN(CC)CC)C1 ZINC000339581116 437473722 /nfs/dbraw/zinc/47/37/22/437473722.db2.gz LMXOZJRWSWYMLU-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN(CC)CC)C1 ZINC000339581116 437473726 /nfs/dbraw/zinc/47/37/26/437473726.db2.gz LMXOZJRWSWYMLU-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO CO[C@H](C[NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000290251338 437474238 /nfs/dbraw/zinc/47/42/38/437474238.db2.gz WLODDFVOUFWTAG-MRXNPFEDSA-N 1 3 339.411 0.759 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(CC)CC)C1 ZINC000339581117 437474311 /nfs/dbraw/zinc/47/43/11/437474311.db2.gz LMXOZJRWSWYMLU-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(CC)CC)C1 ZINC000339581117 437474313 /nfs/dbraw/zinc/47/43/13/437474313.db2.gz LMXOZJRWSWYMLU-OAHLLOKOSA-N 1 3 326.485 0.635 20 0 ECADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CSCN1 ZINC000269243916 437474954 /nfs/dbraw/zinc/47/49/54/437474954.db2.gz CPYZJEVAGQDHMJ-HNNXBMFYSA-N 1 3 335.477 0.372 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339651978 437485598 /nfs/dbraw/zinc/48/55/98/437485598.db2.gz QTSDXVORVOASLC-UHFFFAOYSA-N 1 3 326.485 0.825 20 0 ECADHO CC[C@H](C(=O)N1CCC([NH+](CCOC)CCOC)CC1)N(C)C ZINC000343040266 437485777 /nfs/dbraw/zinc/48/57/77/437485777.db2.gz CJVLAWHOTSMWNT-MRXNPFEDSA-N 1 3 329.485 0.912 20 0 ECADHO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000268964903 437442317 /nfs/dbraw/zinc/44/23/17/437442317.db2.gz GSEDUGJXGIVALL-CYBMUJFWSA-N 1 3 341.477 0.702 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000185812126 437451944 /nfs/dbraw/zinc/45/19/44/437451944.db2.gz CITMHBXCZTYHHO-JKSUJKDBSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000185812126 437451949 /nfs/dbraw/zinc/45/19/49/437451949.db2.gz CITMHBXCZTYHHO-JKSUJKDBSA-N 1 3 337.512 0.796 20 0 ECADHO CO[C@@H](CN)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000290186904 437468725 /nfs/dbraw/zinc/46/87/25/437468725.db2.gz PZGBBUOPHDNTTH-HIFRSBDPSA-N 1 3 334.420 0.296 20 0 ECADHO CO[C@@H](CN)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000290186904 437468727 /nfs/dbraw/zinc/46/87/27/437468727.db2.gz PZGBBUOPHDNTTH-HIFRSBDPSA-N 1 3 334.420 0.296 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339966623 437532011 /nfs/dbraw/zinc/53/20/11/437532011.db2.gz UUVWQXONKSIOKK-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339966623 437532015 /nfs/dbraw/zinc/53/20/15/437532015.db2.gz UUVWQXONKSIOKK-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000339669205 437488754 /nfs/dbraw/zinc/48/87/54/437488754.db2.gz TYVYYRRMLLUNQP-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000339669205 437488760 /nfs/dbraw/zinc/48/87/60/437488760.db2.gz TYVYYRRMLLUNQP-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000339671520 437492005 /nfs/dbraw/zinc/49/20/05/437492005.db2.gz TXTXUGJWUMLCRE-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000343292114 437549339 /nfs/dbraw/zinc/54/93/39/437549339.db2.gz DSHMJYPOYRPAQH-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000343292114 437549346 /nfs/dbraw/zinc/54/93/46/437549346.db2.gz DSHMJYPOYRPAQH-HNNXBMFYSA-N 1 3 336.480 0.387 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000360216674 437556037 /nfs/dbraw/zinc/55/60/37/437556037.db2.gz AQKFMNBOFAQCHR-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000343683195 437625008 /nfs/dbraw/zinc/62/50/08/437625008.db2.gz VBUPZACNNQXXIL-CABCVRRESA-N 1 3 338.496 0.966 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)[C@H]3CN4CCN3CCC4)CC2)CC1 ZINC000343421146 437579620 /nfs/dbraw/zinc/57/96/20/437579620.db2.gz ZKUKVQIHKBLRPW-GOSISDBHSA-N 1 3 349.523 0.051 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000343722868 437638200 /nfs/dbraw/zinc/63/82/00/437638200.db2.gz YQDDOUCXYLWFPZ-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000343722868 437638201 /nfs/dbraw/zinc/63/82/01/437638201.db2.gz YQDDOUCXYLWFPZ-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343781984 437656484 /nfs/dbraw/zinc/65/64/84/437656484.db2.gz NGQPJDJUSGEPSO-CPUCHLNUSA-N 1 3 348.491 0.718 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000343781984 437656487 /nfs/dbraw/zinc/65/64/87/437656487.db2.gz NGQPJDJUSGEPSO-CPUCHLNUSA-N 1 3 348.491 0.718 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NC2(C)CC[NH2+]CC2)CC1=O ZINC000193376239 437709732 /nfs/dbraw/zinc/70/97/32/437709732.db2.gz NXVVYPYVVWLMDA-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1C[C@@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@@H+]1C ZINC000356480485 437770676 /nfs/dbraw/zinc/77/06/76/437770676.db2.gz ZWOUVYVGIKTQMP-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1C[C@@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@H+]1C ZINC000356480485 437770684 /nfs/dbraw/zinc/77/06/84/437770684.db2.gz ZWOUVYVGIKTQMP-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](C(=O)NC(=O)NC1CC1)N(C)CCCN(C)CC[NH+](C)C ZINC000344033240 437721663 /nfs/dbraw/zinc/72/16/63/437721663.db2.gz FHXPFGVDNYTDDR-ZDUSSCGKSA-N 1 3 327.473 0.178 20 0 ECADHO CN(C)CCN(C)CCC[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000344085713 437730155 /nfs/dbraw/zinc/73/01/55/437730155.db2.gz SYTXPVZQYIQFES-MRXNPFEDSA-N 1 3 348.557 0.473 20 0 ECADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000344085713 437730158 /nfs/dbraw/zinc/73/01/58/437730158.db2.gz SYTXPVZQYIQFES-MRXNPFEDSA-N 1 3 348.557 0.473 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340787457 437733946 /nfs/dbraw/zinc/73/39/46/437733946.db2.gz AFRMLIIBVGDYGL-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340787457 437733950 /nfs/dbraw/zinc/73/39/50/437733950.db2.gz AFRMLIIBVGDYGL-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000423604933 437773708 /nfs/dbraw/zinc/77/37/08/437773708.db2.gz GOLNGFCWYRMHJA-UHFFFAOYSA-N 1 3 326.466 0.316 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000340804300 437739716 /nfs/dbraw/zinc/73/97/16/437739716.db2.gz SYBXUOCUJFWGHT-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000340804300 437739717 /nfs/dbraw/zinc/73/97/17/437739717.db2.gz SYBXUOCUJFWGHT-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCCC[NH3+])c(C)c2)CC1 ZINC000415289377 437776050 /nfs/dbraw/zinc/77/60/50/437776050.db2.gz CILXMAUKTVBIMH-UHFFFAOYSA-N 1 3 347.463 0.540 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000423617135 437780397 /nfs/dbraw/zinc/78/03/97/437780397.db2.gz GKADBTHSKQGEPV-YJBOKZPZSA-N 1 3 338.496 0.763 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423619580 437782800 /nfs/dbraw/zinc/78/28/00/437782800.db2.gz YTBOEQNMBAFXEY-AWEZNQCLSA-N 1 3 338.477 0.588 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000370461137 437787561 /nfs/dbraw/zinc/78/75/61/437787561.db2.gz CXCSVSKIHGXWCU-KBAYOESNSA-N 1 3 349.523 0.891 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000370461137 437787566 /nfs/dbraw/zinc/78/75/66/437787566.db2.gz CXCSVSKIHGXWCU-KBAYOESNSA-N 1 3 349.523 0.891 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423717234 437811740 /nfs/dbraw/zinc/81/17/40/437811740.db2.gz AEPWJWAXBBYSRF-IXDOHACOSA-N 1 3 344.459 0.492 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])c(OCCN(C)C)c1 ZINC000415511384 437813777 /nfs/dbraw/zinc/81/37/77/437813777.db2.gz OQPFMXLXYHYRPD-CYBMUJFWSA-N 1 3 336.436 0.585 20 0 ECADHO [NH3+]C1(CNC(=O)[C@H]2C[C@H](F)CN2)CCN(Cc2ccccc2)CC1 ZINC000424025345 437878120 /nfs/dbraw/zinc/87/81/20/437878120.db2.gz ZEIVEJYKTZZAHF-JKSUJKDBSA-N 1 3 334.439 0.796 20 0 ECADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)O1 ZINC000423855736 437843717 /nfs/dbraw/zinc/84/37/17/437843717.db2.gz VZLHJEMSMURXPF-SQNIBIBYSA-N 1 3 347.459 0.900 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000415780520 437858218 /nfs/dbraw/zinc/85/82/18/437858218.db2.gz IOFNAZPYCKKLNE-OLZOCXBDSA-N 1 3 336.436 0.726 20 0 ECADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCC(N)=O ZINC000365566278 437932144 /nfs/dbraw/zinc/93/21/44/437932144.db2.gz LTRNTMDRPLLMBY-IRXDYDNUSA-N 1 3 346.475 0.950 20 0 ECADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCC(N)=O ZINC000365566278 437932149 /nfs/dbraw/zinc/93/21/49/437932149.db2.gz LTRNTMDRPLLMBY-IRXDYDNUSA-N 1 3 346.475 0.950 20 0 ECADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000424438650 437935285 /nfs/dbraw/zinc/93/52/85/437935285.db2.gz LRAATLCIKNJPNA-UHFFFAOYSA-N 1 3 347.463 0.146 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424182199 437900570 /nfs/dbraw/zinc/90/05/70/437900570.db2.gz YYCRQGXKENGKQB-CQSZACIVSA-N 1 3 342.403 0.937 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)N(C)C1CC1 ZINC000424524417 437966616 /nfs/dbraw/zinc/96/66/16/437966616.db2.gz PUTZXNJZONKMPE-KGLIPLIRSA-N 1 3 336.480 0.576 20 0 ECADHO [NH3+]CCCNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417030962 438015633 /nfs/dbraw/zinc/01/56/33/438015633.db2.gz XANYPLPBULEPLP-UHFFFAOYSA-N 1 3 333.480 0.842 20 0 ECADHO CN(CCNC(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000417229287 438032617 /nfs/dbraw/zinc/03/26/17/438032617.db2.gz HVWCFDQJVQYARV-UHFFFAOYSA-N 1 3 333.480 0.713 20 0 ECADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)C1 ZINC000372098824 438032960 /nfs/dbraw/zinc/03/29/60/438032960.db2.gz OATBRRHOBUEAMZ-MSOLQXFVSA-N 1 3 330.476 0.795 20 0 ECADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)C1 ZINC000372098824 438032967 /nfs/dbraw/zinc/03/29/67/438032967.db2.gz OATBRRHOBUEAMZ-MSOLQXFVSA-N 1 3 330.476 0.795 20 0 ECADHO C[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000417304333 438036292 /nfs/dbraw/zinc/03/62/92/438036292.db2.gz FFNULLZKAVSGDQ-INIZCTEOSA-N 1 3 325.501 0.701 20 0 ECADHO C[C@@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)[C@H](C)[NH3+] ZINC000417362506 438044427 /nfs/dbraw/zinc/04/44/27/438044427.db2.gz ABXZZJLATITQNS-LSDHHAIUSA-N 1 3 334.468 0.629 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1(C)C ZINC000366281366 438045485 /nfs/dbraw/zinc/04/54/85/438045485.db2.gz MYAZGJISYPFDNC-GOSISDBHSA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1(C)C ZINC000366281366 438045491 /nfs/dbraw/zinc/04/54/91/438045491.db2.gz MYAZGJISYPFDNC-GOSISDBHSA-N 1 3 337.512 0.750 20 0 ECADHO CCN(CCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000417426720 438048852 /nfs/dbraw/zinc/04/88/52/438048852.db2.gz HLPQHYSFDQEQFX-HNNXBMFYSA-N 1 3 339.484 0.500 20 0 ECADHO CN1CCC[C@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000342314377 437994548 /nfs/dbraw/zinc/99/45/48/437994548.db2.gz ZFWIGBPZBGOJIE-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCC[C@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000342314377 437994554 /nfs/dbraw/zinc/99/45/54/437994554.db2.gz ZFWIGBPZBGOJIE-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCN1C ZINC000348003645 437996544 /nfs/dbraw/zinc/99/65/44/437996544.db2.gz HXKHQVMPECYOAH-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)CC1 ZINC000342341036 438003524 /nfs/dbraw/zinc/00/35/24/438003524.db2.gz AOYSFHMXQILNLB-KBAYOESNSA-N 1 3 349.523 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)C2)CC1 ZINC000342341036 438003529 /nfs/dbraw/zinc/00/35/29/438003529.db2.gz AOYSFHMXQILNLB-KBAYOESNSA-N 1 3 349.523 0.891 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N[C@@H]1CCC[NH2+]C1 ZINC000417993452 438100091 /nfs/dbraw/zinc/10/00/91/438100091.db2.gz OENWMUJTOHELDI-SJORKVTESA-N 1 3 332.448 0.804 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417473791 438054249 /nfs/dbraw/zinc/05/42/49/438054249.db2.gz LLOVYYUJEYPKOQ-ZDUSSCGKSA-N 1 3 335.452 0.515 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)N(C)Cc1ccccc1 ZINC000417577770 438060741 /nfs/dbraw/zinc/06/07/41/438060741.db2.gz KCXVFRDDHUPIKV-NVXWUHKLSA-N 1 3 333.480 0.710 20 0 ECADHO C[C@H](CNC(=O)c1cccc(C(=O)NC[C@@H](C)[NH+](C)C)n1)N(C)C ZINC000357765666 438062361 /nfs/dbraw/zinc/06/23/61/438062361.db2.gz LLPXJKSDHPBASB-CHWSQXEVSA-N 1 3 335.452 0.441 20 0 ECADHO CN(CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000417621346 438064287 /nfs/dbraw/zinc/06/42/87/438064287.db2.gz FOASMGOEQNQSFH-GFCCVEGCSA-N 1 3 337.390 0.216 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000418173117 438113378 /nfs/dbraw/zinc/11/33/78/438113378.db2.gz PYZYKIUMORBNPP-GJZGRUSLSA-N 1 3 325.501 0.829 20 0 ECADHO COC[C@@]1(CNC(=O)NCCN2CCN(C)C(C)(C)C2)CCC[NH2+]1 ZINC000418176416 438114157 /nfs/dbraw/zinc/11/41/57/438114157.db2.gz UNLVPRYOHUDQBY-KRWDZBQOSA-N 1 3 341.500 0.080 20 0 ECADHO COCCN(C)CCCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000430678464 438119912 /nfs/dbraw/zinc/11/99/12/438119912.db2.gz JMZCVLHMTXTEDC-UHFFFAOYSA-N 1 3 338.456 0.209 20 0 ECADHO COc1ccc([C@H](CN(C)C)NC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000418294688 438125749 /nfs/dbraw/zinc/12/57/49/438125749.db2.gz GWDGVJBQLXWCQU-KRWDZBQOSA-N 1 3 349.479 0.502 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000357950786 438105903 /nfs/dbraw/zinc/10/59/03/438105903.db2.gz AOPMUTLPBNCWKX-AWEZNQCLSA-N 1 3 344.525 0.834 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000343014638 438106136 /nfs/dbraw/zinc/10/61/36/438106136.db2.gz KATGXDMGSQCFSJ-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000343014638 438106140 /nfs/dbraw/zinc/10/61/40/438106140.db2.gz KATGXDMGSQCFSJ-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430923172 438129860 /nfs/dbraw/zinc/12/98/60/438129860.db2.gz CNPIQSATFKYIMA-GJZGRUSLSA-N 1 3 346.479 0.573 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418373458 438135637 /nfs/dbraw/zinc/13/56/37/438135637.db2.gz BUYXIMOEDFXSOR-WMZOPIPTSA-N 1 3 334.464 0.906 20 0 ECADHO C[NH2+]CC1CCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430962326 438137338 /nfs/dbraw/zinc/13/73/38/438137338.db2.gz CGWZUMYYEQPZIR-OAHLLOKOSA-N 1 3 346.479 0.445 20 0 ECADHO [NH3+]C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000418477722 438148696 /nfs/dbraw/zinc/14/86/96/438148696.db2.gz UTQJEWBPWKSIOQ-KSZLIROESA-N 1 3 346.475 0.906 20 0 ECADHO C[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)C1=CCN(C)CC1 ZINC000358312399 438196246 /nfs/dbraw/zinc/19/62/46/438196246.db2.gz APYIHBXCGZIQJT-OOHWJJMZSA-N 1 3 348.491 0.886 20 0 ECADHO [NH3+][C@H](CNC(=O)NCC(=O)NCCN1CCCCCC1)C1CC1 ZINC000418483052 438151440 /nfs/dbraw/zinc/15/14/40/438151440.db2.gz FFYRJERQHHRROH-CQSZACIVSA-N 1 3 325.457 0.015 20 0 ECADHO COCCCN1CCCN(C(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000373516840 438154730 /nfs/dbraw/zinc/15/47/30/438154730.db2.gz TVVVFBXZGCDHBX-UHFFFAOYSA-N 1 3 327.469 0.573 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000418537124 438158815 /nfs/dbraw/zinc/15/88/15/438158815.db2.gz CMBLWELCYQMENT-YESZJQIVSA-N 1 3 348.447 0.428 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000418684681 438174323 /nfs/dbraw/zinc/17/43/23/438174323.db2.gz LNOGVENFRSSFND-BZUAXINKSA-N 1 3 326.485 0.898 20 0 ECADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)N1CCC[NH2+]CC1 ZINC000418864474 438224430 /nfs/dbraw/zinc/22/44/30/438224430.db2.gz QUBUJDWPXBNZII-QGZVFWFLSA-N 1 3 344.459 0.762 20 0 ECADHO COCCN1CCN(C(=O)CCCN2CCC([NH3+])CC2)C[C@@H]1C ZINC000433139162 438226726 /nfs/dbraw/zinc/22/67/26/438226726.db2.gz VZPSRMPGFAROKI-HNNXBMFYSA-N 1 3 326.485 0.369 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418883163 438234380 /nfs/dbraw/zinc/23/43/80/438234380.db2.gz ZZLYLEYPAQGHNB-GDBMZVCRSA-N 1 3 334.464 0.247 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418814576 438199670 /nfs/dbraw/zinc/19/96/70/438199670.db2.gz JXZQHRAGRLDZKW-RDTXWAMCSA-N 1 3 332.448 0.621 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(CCCS(=O)(=O)N(C)C)C1 ZINC000350371488 438210610 /nfs/dbraw/zinc/21/06/10/438210610.db2.gz YFMQYMYJSBPKKN-OAHLLOKOSA-N 1 3 335.514 0.701 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N(C)Cc1ccccc1 ZINC000418956298 438263346 /nfs/dbraw/zinc/26/33/46/438263346.db2.gz YZTKJSQEIHBLMA-CZUORRHYSA-N 1 3 332.448 0.477 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCN1C ZINC000418967028 438267637 /nfs/dbraw/zinc/26/76/37/438267637.db2.gz RFCQTEMNGSGYSZ-WBVHZDCISA-N 1 3 346.475 0.963 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418981466 438271803 /nfs/dbraw/zinc/27/18/03/438271803.db2.gz GQQIVJGNYWZRHL-HOCLYGCPSA-N 1 3 332.448 0.651 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418981466 438271806 /nfs/dbraw/zinc/27/18/06/438271806.db2.gz GQQIVJGNYWZRHL-HOCLYGCPSA-N 1 3 332.448 0.651 20 0 ECADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)N3CCN(c4ccccn4)CC3)C[C@@H]12 ZINC000351502266 438272696 /nfs/dbraw/zinc/27/26/96/438272696.db2.gz ZMJDJZBQBRMLDG-BRWVUGGUSA-N 1 3 343.475 0.789 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000368009153 438275532 /nfs/dbraw/zinc/27/55/32/438275532.db2.gz WQWXDKQJMSESTE-OWCLPIDISA-N 1 3 349.431 0.537 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000418993598 438276920 /nfs/dbraw/zinc/27/69/20/438276920.db2.gz HEUUXPJTVYHTBN-WBVHZDCISA-N 1 3 346.475 0.739 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351518805 438276986 /nfs/dbraw/zinc/27/69/86/438276986.db2.gz MWPLWNKLHXFWET-OAHLLOKOSA-N 1 3 348.447 0.111 20 0 ECADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351554416 438287071 /nfs/dbraw/zinc/28/70/71/438287071.db2.gz HXQCQNBFFBZUKN-PVAVHDDUSA-N 1 3 344.459 0.806 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419017525 438289545 /nfs/dbraw/zinc/28/95/45/438289545.db2.gz AZNFFVRKVGIHIP-KFWWJZLASA-N 1 3 338.496 0.999 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419028923 438295617 /nfs/dbraw/zinc/29/56/17/438295617.db2.gz RAXCXSREMKNANN-XFIYOXNOSA-N 1 3 338.496 0.855 20 0 ECADHO Cn1cc(C[N@H+](C)C2CCN(c3ccncc3)CC2)c(=O)n(C)c1=O ZINC000377708278 438323290 /nfs/dbraw/zinc/32/32/90/438323290.db2.gz YJNRJWUOVVCHNR-UHFFFAOYSA-N 1 3 343.431 0.580 20 0 ECADHO Cn1cc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)c(=O)n(C)c1=O ZINC000377708278 438323295 /nfs/dbraw/zinc/32/32/95/438323295.db2.gz YJNRJWUOVVCHNR-UHFFFAOYSA-N 1 3 343.431 0.580 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000434866648 438328852 /nfs/dbraw/zinc/32/88/52/438328852.db2.gz XRCQBWJTALQWCE-KBPBESRZSA-N 1 3 342.509 0.140 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000419119922 438330466 /nfs/dbraw/zinc/33/04/66/438330466.db2.gz KEVQAXCEIDKBOX-QXSJWSMHSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419120415 438331248 /nfs/dbraw/zinc/33/12/48/438331248.db2.gz KXPLFMZSCXMRDE-JKSUJKDBSA-N 1 3 338.496 0.955 20 0 ECADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000419129783 438337035 /nfs/dbraw/zinc/33/70/35/438337035.db2.gz AJJKQVALYDSPCI-MRXNPFEDSA-N 1 3 338.496 0.714 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419129678 438337298 /nfs/dbraw/zinc/33/72/98/438337298.db2.gz BKFZLNAXYXSZGX-ARFHVFGLSA-N 1 3 338.496 0.999 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419133678 438338897 /nfs/dbraw/zinc/33/88/97/438338897.db2.gz GIIRQJZBSZLEHH-OAHLLOKOSA-N 1 3 348.447 0.111 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419030623 438297692 /nfs/dbraw/zinc/29/76/92/438297692.db2.gz UCDGPBJCWPCPQB-LVQVYYBASA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419042318 438303060 /nfs/dbraw/zinc/30/30/60/438303060.db2.gz HJDFUHQLOLEZRA-GJZGRUSLSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419083603 438315343 /nfs/dbraw/zinc/31/53/43/438315343.db2.gz WWQCFZMRVQKQPQ-QAPCUYQASA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172045 438391178 /nfs/dbraw/zinc/39/11/78/438391178.db2.gz VCOLSDURZADAGE-KFWWJZLASA-N 1 3 338.496 0.726 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000419519432 438362821 /nfs/dbraw/zinc/36/28/21/438362821.db2.gz FWYMFMWTDCYBMM-YMAMQOFZSA-N 1 3 326.485 0.713 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419521871 438362837 /nfs/dbraw/zinc/36/28/37/438362837.db2.gz LDLKCKHPBKRKTM-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000378306569 438373706 /nfs/dbraw/zinc/37/37/06/438373706.db2.gz LGTQLDCENKUCHB-GOSISDBHSA-N 1 3 346.475 0.633 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419874617 438376362 /nfs/dbraw/zinc/37/63/62/438376362.db2.gz ZYWPTOLHVOBMMM-JKSUJKDBSA-N 1 3 336.480 0.579 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000419978626 438378517 /nfs/dbraw/zinc/37/85/17/438378517.db2.gz OLIHAWSMTZLQPT-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000419955910 438378623 /nfs/dbraw/zinc/37/86/23/438378623.db2.gz NRYXTOVMHJXAQM-CABCVRRESA-N 1 3 326.485 0.570 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000419955910 438378626 /nfs/dbraw/zinc/37/86/26/438378626.db2.gz NRYXTOVMHJXAQM-CABCVRRESA-N 1 3 326.485 0.570 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420081441 438386451 /nfs/dbraw/zinc/38/64/51/438386451.db2.gz IBKUOJISBJUZGB-ZBFHGGJFSA-N 1 3 338.496 0.810 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420081441 438386456 /nfs/dbraw/zinc/38/64/56/438386456.db2.gz IBKUOJISBJUZGB-ZBFHGGJFSA-N 1 3 338.496 0.810 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000420121354 438387723 /nfs/dbraw/zinc/38/77/23/438387723.db2.gz LONJZOJNUIGPQU-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369375079 438463518 /nfs/dbraw/zinc/46/35/18/438463518.db2.gz VSSSDYPLRNZIQZ-HNNXBMFYSA-N 1 3 341.500 0.032 20 0 ECADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369375079 438463520 /nfs/dbraw/zinc/46/35/20/438463520.db2.gz VSSSDYPLRNZIQZ-HNNXBMFYSA-N 1 3 341.500 0.032 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000359730558 438486536 /nfs/dbraw/zinc/48/65/36/438486536.db2.gz GPFKUJBQDWRUKT-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N(C)CCN(C)C1CC1)[NH+]1CCCCC1 ZINC000359738991 438486604 /nfs/dbraw/zinc/48/66/04/438486604.db2.gz YSZNDBLNMRSTJZ-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000421506003 438489324 /nfs/dbraw/zinc/48/93/24/438489324.db2.gz CCPCHZKGNQEVRI-HOTGVXAUSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000421506003 438489326 /nfs/dbraw/zinc/48/93/26/438489326.db2.gz CCPCHZKGNQEVRI-HOTGVXAUSA-N 1 3 338.496 0.683 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000421522804 438489904 /nfs/dbraw/zinc/48/99/04/438489904.db2.gz SJQLLYGUXBFWTH-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000421522804 438489905 /nfs/dbraw/zinc/48/99/05/438489905.db2.gz SJQLLYGUXBFWTH-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000421518706 438490356 /nfs/dbraw/zinc/49/03/56/438490356.db2.gz PCARQZLOQVNIDH-QQFBHYJXSA-N 1 3 338.496 0.824 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000353641688 438518720 /nfs/dbraw/zinc/51/87/20/438518720.db2.gz GGDLAMNVDCHFCL-QGZVFWFLSA-N 1 3 325.453 0.767 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000422434867 438568903 /nfs/dbraw/zinc/56/89/03/438568903.db2.gz QXQSQMAFLHLDLV-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000422434867 438568906 /nfs/dbraw/zinc/56/89/06/438568906.db2.gz QXQSQMAFLHLDLV-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000422433010 438569389 /nfs/dbraw/zinc/56/93/89/438569389.db2.gz YBBUBPWKDYNCPC-BMFZPTHFSA-N 1 3 336.480 0.526 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000422433010 438569391 /nfs/dbraw/zinc/56/93/91/438569391.db2.gz YBBUBPWKDYNCPC-BMFZPTHFSA-N 1 3 336.480 0.526 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410439618 438584954 /nfs/dbraw/zinc/58/49/54/438584954.db2.gz WAXJGAJFJJTQOJ-MRXNPFEDSA-N 1 3 338.496 0.731 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410439618 438584955 /nfs/dbraw/zinc/58/49/55/438584955.db2.gz WAXJGAJFJJTQOJ-MRXNPFEDSA-N 1 3 338.496 0.731 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422625894 438595464 /nfs/dbraw/zinc/59/54/64/438595464.db2.gz IATZMEXOEQYNED-GPANFISMSA-N 1 3 338.496 0.917 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442630879 438612672 /nfs/dbraw/zinc/61/26/72/438612672.db2.gz YGPSQLXWZXIBLK-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442630879 438612676 /nfs/dbraw/zinc/61/26/76/438612676.db2.gz YGPSQLXWZXIBLK-INIZCTEOSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC2CCCCC2)C[C@@H]1[NH3+] ZINC000423178578 438647536 /nfs/dbraw/zinc/64/75/36/438647536.db2.gz BYCJSMGZWPRPII-HOCLYGCPSA-N 1 3 338.496 0.763 20 0 ECADHO CN(C)C1(CNC(=O)c2cn(CCC[NH3+])nn2)Cc2ccccc2C1 ZINC000423429247 438675289 /nfs/dbraw/zinc/67/52/89/438675289.db2.gz SDUTXNKATQZXJR-UHFFFAOYSA-N 1 3 342.447 0.456 20 0 ECADHO CO[C@@H]1CN(Cc2ccc(C[N@@H+]3C[C@@H](O)[C@H](OC)C3)cc2)C[C@H]1O ZINC000451761078 438713372 /nfs/dbraw/zinc/71/33/72/438713372.db2.gz OMXYTFVHZNFRCZ-BRSBDYLESA-N 1 3 336.432 0.070 20 0 ECADHO CO[C@@H]1CN(Cc2ccc(C[N@H+]3C[C@@H](O)[C@H](OC)C3)cc2)C[C@H]1O ZINC000451761078 438713374 /nfs/dbraw/zinc/71/33/74/438713374.db2.gz OMXYTFVHZNFRCZ-BRSBDYLESA-N 1 3 336.432 0.070 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414666234 438713477 /nfs/dbraw/zinc/71/34/77/438713477.db2.gz GAGUOBGIKSNNJH-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414766176 438716453 /nfs/dbraw/zinc/71/64/53/438716453.db2.gz DGAQSQUCPFPKBP-MRXNPFEDSA-N 1 3 348.447 0.653 20 0 ECADHO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414857781 438718651 /nfs/dbraw/zinc/71/86/51/438718651.db2.gz GAKONWCZPVLPLW-UHFFFAOYSA-N 1 3 339.399 0.316 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414876244 438719314 /nfs/dbraw/zinc/71/93/14/438719314.db2.gz KHZFCPBWHTWHGW-GFCCVEGCSA-N 1 3 334.395 0.620 20 0 ECADHO C[C@H](CCC[NH3+])NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000415021223 438726789 /nfs/dbraw/zinc/72/67/89/438726789.db2.gz KFFYNCIAASCESY-CQSZACIVSA-N 1 3 341.477 0.925 20 0 ECADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000576838148 438802396 /nfs/dbraw/zinc/80/23/96/438802396.db2.gz HKKNQSCVTQLURO-UONOGXRCSA-N 1 3 337.468 0.203 20 0 ECADHO CO[C@@H]1COCC[C@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576601290 438789732 /nfs/dbraw/zinc/78/97/32/438789732.db2.gz QZWOHPMWIBDSSU-LSDHHAIUSA-N 1 3 330.473 0.173 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000558957748 438831622 /nfs/dbraw/zinc/83/16/22/438831622.db2.gz JWQXFGVOBPQTPN-CABCVRRESA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000577386962 438836458 /nfs/dbraw/zinc/83/64/58/438836458.db2.gz XBGMBTNEJBJGRR-ZFWWWQNUSA-N 1 3 334.420 0.794 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000565000784 438903206 /nfs/dbraw/zinc/90/32/06/438903206.db2.gz GTOFCFAVDBILAM-JFIZCJACSA-N 1 3 336.480 0.356 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000565039755 438907590 /nfs/dbraw/zinc/90/75/90/438907590.db2.gz CQDKQEHGLAFHLB-QAPCUYQASA-N 1 3 329.448 0.462 20 0 ECADHO CC(C)OCC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000515347841 438861931 /nfs/dbraw/zinc/86/19/31/438861931.db2.gz ORVUNGOJSRAHKI-KRWDZBQOSA-N 1 3 343.512 0.549 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000577856812 438876734 /nfs/dbraw/zinc/87/67/34/438876734.db2.gz KINIAMGWQIWQDS-BQJWPVKWSA-N 1 3 348.491 0.657 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000458448399 438886529 /nfs/dbraw/zinc/88/65/29/438886529.db2.gz SJEXZHRFIWANSZ-SJORKVTESA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000458448399 438886531 /nfs/dbraw/zinc/88/65/31/438886531.db2.gz SJEXZHRFIWANSZ-SJORKVTESA-N 1 3 339.528 0.994 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000564923170 438889164 /nfs/dbraw/zinc/88/91/64/438889164.db2.gz LMGQERUPXBWZLN-ZIAGYGMSSA-N 1 3 335.452 0.309 20 0 ECADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1CC[NH2+]C1 ZINC000565250417 438938053 /nfs/dbraw/zinc/93/80/53/438938053.db2.gz NEDHPWWLQCQGBN-DLBZAZTESA-N 1 3 332.448 0.939 20 0 ECADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)c1 ZINC000516957974 438939138 /nfs/dbraw/zinc/93/91/38/438939138.db2.gz NWLWRAIUQSBDCN-UHFFFAOYSA-N 1 3 349.479 0.296 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cn2cncn2)cc1 ZINC000590817459 438961371 /nfs/dbraw/zinc/96/13/71/438961371.db2.gz ZCLZVQHGUNSTJJ-UHFFFAOYSA-N 1 3 344.463 0.892 20 0 ECADHO CC(C)C[C@@H](CN1CCCC1)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000579112163 438981129 /nfs/dbraw/zinc/98/11/29/438981129.db2.gz BIQRIDBOITZJIA-ZWKOTPCHSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC[C@@H](O)CN1CCN(C)CC1 ZINC000579112163 438981133 /nfs/dbraw/zinc/98/11/33/438981133.db2.gz BIQRIDBOITZJIA-ZWKOTPCHSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)OC[C@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000566109576 439006758 /nfs/dbraw/zinc/00/67/58/439006758.db2.gz ARHDBPCDXIFXLC-GOSISDBHSA-N 1 3 336.480 0.969 20 0 ECADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)NC1C[NH2+]C1 ZINC000579454337 439008600 /nfs/dbraw/zinc/00/86/00/439008600.db2.gz VNMNIWLZXUMQRQ-UHFFFAOYSA-N 1 3 338.374 0.197 20 0 ECADHO Cc1ccc(NC(=O)CC[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)nc1 ZINC000566108964 439008762 /nfs/dbraw/zinc/00/87/62/439008762.db2.gz HOXZFIAKQBBUKJ-OAHLLOKOSA-N 1 3 347.463 0.896 20 0 ECADHO Cc1ccc(NC(=O)CCNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nc1 ZINC000566108964 439008767 /nfs/dbraw/zinc/00/87/67/439008767.db2.gz HOXZFIAKQBBUKJ-OAHLLOKOSA-N 1 3 347.463 0.896 20 0 ECADHO Cc1ccc(NC(=O)CCNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)nc1 ZINC000566108964 439008773 /nfs/dbraw/zinc/00/87/73/439008773.db2.gz HOXZFIAKQBBUKJ-OAHLLOKOSA-N 1 3 347.463 0.896 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000579454175 439009608 /nfs/dbraw/zinc/00/96/08/439009608.db2.gz SUCPNWYJXBWYSW-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)C2)CC1 ZINC000519642032 439050698 /nfs/dbraw/zinc/05/06/98/439050698.db2.gz ICHTUUUKXJNCAM-MSOLQXFVSA-N 1 3 330.476 0.795 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C[C@@H]1C[NH3+] ZINC000579580913 439020615 /nfs/dbraw/zinc/02/06/15/439020615.db2.gz BHYSSEFQXHYNBW-RVKKMQEKSA-N 1 3 336.480 0.374 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000566295614 439037353 /nfs/dbraw/zinc/03/73/53/439037353.db2.gz AWJOCHDUCVPHSW-SFHVURJKSA-N 1 3 345.491 0.219 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCCOCC[NH+](C)C)N1CCN(C)CC1 ZINC000471635410 439086419 /nfs/dbraw/zinc/08/64/19/439086419.db2.gz JDMOXNREZHMCHY-MRXNPFEDSA-N 1 3 343.516 0.136 20 0 ECADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000580540854 439100838 /nfs/dbraw/zinc/10/08/38/439100838.db2.gz XKEAOKZVQJBLGI-GJZGRUSLSA-N 1 3 349.483 0.862 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000580302516 439077396 /nfs/dbraw/zinc/07/73/96/439077396.db2.gz YLOJPJQWLKAMSV-DJIMGWMZSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C1=CCN(C)CC1 ZINC000567709967 439170244 /nfs/dbraw/zinc/17/02/44/439170244.db2.gz DYFKGXYMDPCGOD-DZGCQCFKSA-N 1 3 343.427 0.884 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH3+])C[C@H]2C)CC1=O ZINC000567286189 439131065 /nfs/dbraw/zinc/13/10/65/439131065.db2.gz DFFQOMMWKUTPGO-LVQVYYBASA-N 1 3 336.480 0.657 20 0 ECADHO O=C(NCc1ccccc1CN1CCC(O)CC1)N[C@H]1CC[NH2+]C1 ZINC000580843321 439137868 /nfs/dbraw/zinc/13/78/68/439137868.db2.gz CJVNLPNHCNPBSC-INIZCTEOSA-N 1 3 332.448 0.804 20 0 ECADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000567572297 439151970 /nfs/dbraw/zinc/15/19/70/439151970.db2.gz PURMUWPZVQHBEL-FZKCQIBNSA-N 1 3 325.501 0.637 20 0 ECADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000567572297 439151973 /nfs/dbraw/zinc/15/19/73/439151973.db2.gz PURMUWPZVQHBEL-FZKCQIBNSA-N 1 3 325.501 0.637 20 0 ECADHO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000581071942 439166107 /nfs/dbraw/zinc/16/61/07/439166107.db2.gz JJBOKQDXQUDXIR-IRXDYDNUSA-N 1 3 336.432 0.675 20 0 ECADHO CN1CC[NH+](CCCCNC(=O)NCCN2CCCOCC2)CC1 ZINC000525853593 439221391 /nfs/dbraw/zinc/22/13/91/439221391.db2.gz QEEOBKKSXLWADB-UHFFFAOYSA-N 1 3 341.500 0.036 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCCNC1=O ZINC000523749409 439176800 /nfs/dbraw/zinc/17/68/00/439176800.db2.gz GKICLSWIEYERFI-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCCNC1=O ZINC000523749409 439176805 /nfs/dbraw/zinc/17/68/05/439176805.db2.gz GKICLSWIEYERFI-HNNXBMFYSA-N 1 3 339.484 0.276 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000581188871 439179952 /nfs/dbraw/zinc/17/99/52/439179952.db2.gz ZSROSZUUBCOKRT-XHSDSOJGSA-N 1 3 338.496 0.953 20 0 ECADHO Cc1noc(CCCN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000567891182 439193985 /nfs/dbraw/zinc/19/39/85/439193985.db2.gz LCEDJZJPFZFOST-CABCVRRESA-N 1 3 335.452 0.891 20 0 ECADHO COC(=O)c1cncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000597941545 439201573 /nfs/dbraw/zinc/20/15/73/439201573.db2.gz BPKSKQOGVLAZNI-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO COC(=O)c1cncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000597941545 439201576 /nfs/dbraw/zinc/20/15/76/439201576.db2.gz BPKSKQOGVLAZNI-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000597941376 439201951 /nfs/dbraw/zinc/20/19/51/439201951.db2.gz ADLBSJBXSLTGRR-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000597941376 439201954 /nfs/dbraw/zinc/20/19/54/439201954.db2.gz ADLBSJBXSLTGRR-ZDUSSCGKSA-N 1 3 336.436 0.870 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@H](O)C3)CC2)CC1 ZINC000568229669 439228084 /nfs/dbraw/zinc/22/80/84/439228084.db2.gz BOXZAFCLPFRWGP-QGZVFWFLSA-N 1 3 339.480 0.402 20 0 ECADHO CN(CCCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000581598103 439233566 /nfs/dbraw/zinc/23/35/66/439233566.db2.gz NFEFOIHLQHQJNP-QGZVFWFLSA-N 1 3 346.475 0.822 20 0 ECADHO CC[C@@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000569481412 439338904 /nfs/dbraw/zinc/33/89/04/439338904.db2.gz HBNWSAUVWICIDG-JKSUJKDBSA-N 1 3 332.448 0.737 20 0 ECADHO CC[C@@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000569481412 439338910 /nfs/dbraw/zinc/33/89/10/439338910.db2.gz HBNWSAUVWICIDG-JKSUJKDBSA-N 1 3 332.448 0.737 20 0 ECADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC1CNC1 ZINC000568858112 439285556 /nfs/dbraw/zinc/28/55/56/439285556.db2.gz IGKRERSWGTVVSK-BBRMVZONSA-N 1 3 330.432 0.101 20 0 ECADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC1CNC1 ZINC000568858112 439285562 /nfs/dbraw/zinc/28/55/62/439285562.db2.gz IGKRERSWGTVVSK-BBRMVZONSA-N 1 3 330.432 0.101 20 0 ECADHO CN(C)CCn1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC000582071413 439287727 /nfs/dbraw/zinc/28/77/27/439287727.db2.gz QXXRVFCKRWJGTA-HNNXBMFYSA-N 1 3 337.468 0.411 20 0 ECADHO CN(C)CCn1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000582071413 439287732 /nfs/dbraw/zinc/28/77/32/439287732.db2.gz QXXRVFCKRWJGTA-HNNXBMFYSA-N 1 3 337.468 0.411 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000569114153 439307533 /nfs/dbraw/zinc/30/75/33/439307533.db2.gz CQVKHKNKPHNUJM-UHFFFAOYSA-N 1 3 346.435 0.497 20 0 ECADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000570271677 439406018 /nfs/dbraw/zinc/40/60/18/439406018.db2.gz QQLBCLFPLDXJNS-HOTGVXAUSA-N 1 3 336.480 0.661 20 0 ECADHO CN1CCN(C[C@@H](O)C[NH2+]CCCN2CCc3ccccc3C2)CC1 ZINC000570379458 439413516 /nfs/dbraw/zinc/41/35/16/439413516.db2.gz MHTXMDLWHLZJBW-FQEVSTJZSA-N 1 3 346.519 0.633 20 0 ECADHO C[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@@H](C)C1 ZINC000583142473 439425848 /nfs/dbraw/zinc/42/58/48/439425848.db2.gz YBCKQFGOXZFXCT-RBSFLKMASA-N 1 3 334.468 0.880 20 0 ECADHO C[NH+](C)CCOc1ccccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583332965 439452443 /nfs/dbraw/zinc/45/24/43/439452443.db2.gz ARMXWFIUMZWJHW-DZGCQCFKSA-N 1 3 346.431 0.011 20 0 ECADHO CO[C@@H]1CN[C@@H](C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000570840386 439455011 /nfs/dbraw/zinc/45/50/11/439455011.db2.gz XEKPPKWMRRKKBJ-JKSUJKDBSA-N 1 3 339.480 0.903 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2(N3CCC(OC)CC3)CCCC2)C1 ZINC000570840386 439455017 /nfs/dbraw/zinc/45/50/17/439455017.db2.gz XEKPPKWMRRKKBJ-JKSUJKDBSA-N 1 3 339.480 0.903 20 0 ECADHO COC[C@@H](O)CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000583019884 439409138 /nfs/dbraw/zinc/40/91/38/439409138.db2.gz HYRCRNUOLJCTCN-SJORKVTESA-N 1 3 335.448 0.481 20 0 ECADHO COC[C@@H](O)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000583019884 439409145 /nfs/dbraw/zinc/40/91/45/439409145.db2.gz HYRCRNUOLJCTCN-SJORKVTESA-N 1 3 335.448 0.481 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000530241836 439493766 /nfs/dbraw/zinc/49/37/66/439493766.db2.gz QVQXMCYLZQEFKH-CQSZACIVSA-N 1 3 338.452 0.407 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000583705096 439503058 /nfs/dbraw/zinc/50/30/58/439503058.db2.gz CZPQKCZYWAFIMA-JYJNAYRXSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000608694527 439535576 /nfs/dbraw/zinc/53/55/76/439535576.db2.gz MWAQBGFHVDAVLS-HOTGVXAUSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC000608694527 439535578 /nfs/dbraw/zinc/53/55/78/439535578.db2.gz MWAQBGFHVDAVLS-HOTGVXAUSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000584114008 439551188 /nfs/dbraw/zinc/55/11/88/439551188.db2.gz WJJLVROMWANOSF-OFQRWUPVSA-N 1 3 334.464 0.518 20 0 ECADHO CCOC(=O)NCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000492632129 439553426 /nfs/dbraw/zinc/55/34/26/439553426.db2.gz FXCUYKTXPDNWLD-CQSZACIVSA-N 1 3 328.457 0.607 20 0 ECADHO CCOC(=O)NCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000492632129 439553435 /nfs/dbraw/zinc/55/34/35/439553435.db2.gz FXCUYKTXPDNWLD-CQSZACIVSA-N 1 3 328.457 0.607 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000572630227 439599080 /nfs/dbraw/zinc/59/90/80/439599080.db2.gz ISPWGXDJDWKRQR-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000572630227 439599085 /nfs/dbraw/zinc/59/90/85/439599085.db2.gz ISPWGXDJDWKRQR-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)C1 ZINC000572699773 439604154 /nfs/dbraw/zinc/60/41/54/439604154.db2.gz QZVWZEFEOBQTIG-APWZRJJASA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)C1 ZINC000572699773 439604157 /nfs/dbraw/zinc/60/41/57/439604157.db2.gz QZVWZEFEOBQTIG-APWZRJJASA-N 1 3 348.491 0.627 20 0 ECADHO CN1CCC[C@@H](NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000594978177 439646595 /nfs/dbraw/zinc/64/65/95/439646595.db2.gz RDVPVUOVQLINRQ-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCC[C@@H](NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000594978177 439646598 /nfs/dbraw/zinc/64/65/98/439646598.db2.gz RDVPVUOVQLINRQ-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CC(C)[C@H](CNC[C@@H](O)CN1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000572968895 439620427 /nfs/dbraw/zinc/62/04/27/439620427.db2.gz IQESRRBRRWIKHA-MOPGFXCFSA-N 1 3 340.556 0.941 20 0 ECADHO CC(C)[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N1CCC(C)CC1 ZINC000572968895 439620431 /nfs/dbraw/zinc/62/04/31/439620431.db2.gz IQESRRBRRWIKHA-MOPGFXCFSA-N 1 3 340.556 0.941 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C[C@H](O)C[N@H+](C)C(C)C)C2)CC1 ZINC000595339105 439707428 /nfs/dbraw/zinc/70/74/28/439707428.db2.gz NUSHODJTXGUHED-QZTJIDSGSA-N 1 3 326.529 0.788 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C[C@H](O)C[N@@H+](C)C(C)C)C2)CC1 ZINC000595339105 439707433 /nfs/dbraw/zinc/70/74/33/439707433.db2.gz NUSHODJTXGUHED-QZTJIDSGSA-N 1 3 326.529 0.788 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCNC[C@@H]1c1cccnc1 ZINC000574571708 439714110 /nfs/dbraw/zinc/71/41/10/439714110.db2.gz XUQSBNFNYSYJOR-MLGOLLRUSA-N 1 3 326.404 0.668 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1cscn1 ZINC000612136968 439677406 /nfs/dbraw/zinc/67/74/06/439677406.db2.gz DZCWXWVPTXOOGO-GFCCVEGCSA-N 1 3 341.481 0.272 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000574025314 439679808 /nfs/dbraw/zinc/67/98/08/439679808.db2.gz SARYGNXENNSARE-UHFFFAOYSA-N 1 3 347.463 0.530 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574268961 439693954 /nfs/dbraw/zinc/69/39/54/439693954.db2.gz NUYVVZSKBRULDA-YJBOKZPZSA-N 1 3 336.480 0.389 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612974184 439747711 /nfs/dbraw/zinc/74/77/11/439747711.db2.gz OZNORFQABQEDJH-CVEARBPZSA-N 1 3 337.512 0.701 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000612545321 439725762 /nfs/dbraw/zinc/72/57/62/439725762.db2.gz JKSCALKSAVGXOG-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000612545321 439725763 /nfs/dbraw/zinc/72/57/63/439725763.db2.gz JKSCALKSAVGXOG-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000612547071 439726775 /nfs/dbraw/zinc/72/67/75/439726775.db2.gz ZDUXBVPVHOTHSP-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000612547071 439726777 /nfs/dbraw/zinc/72/67/77/439726777.db2.gz ZDUXBVPVHOTHSP-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000612552006 439728831 /nfs/dbraw/zinc/72/88/31/439728831.db2.gz RVOBPINDLAICDL-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000611838295 439732257 /nfs/dbraw/zinc/73/22/57/439732257.db2.gz HTTPHQJJGDTSMD-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000612877152 439743970 /nfs/dbraw/zinc/74/39/70/439743970.db2.gz VWBZFNLWFGWBCI-SFHVURJKSA-N 1 3 347.463 0.529 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000615225100 439796231 /nfs/dbraw/zinc/79/62/31/439796231.db2.gz AXPDDBQAHNOLLH-JYJNAYRXSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000615225100 439796232 /nfs/dbraw/zinc/79/62/32/439796232.db2.gz AXPDDBQAHNOLLH-JYJNAYRXSA-N 1 3 338.496 0.632 20 0 ECADHO CC1[C@H](C(=O)NCC2(N(C)C)CC2)[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000616343327 439816049 /nfs/dbraw/zinc/81/60/49/439816049.db2.gz FUTMSXQLGLVUQC-KBPBESRZSA-N 1 3 336.480 0.289 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652486184 439866826 /nfs/dbraw/zinc/86/68/26/439866826.db2.gz NIOHERRXYFNMGS-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCN(CCCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662757724 439876268 /nfs/dbraw/zinc/87/62/68/439876268.db2.gz LSMZEZHTKRKFAY-CQSZACIVSA-N 1 3 336.402 0.672 20 0 ECADHO C[C@@H](Cn1cncn1)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000657953325 439840999 /nfs/dbraw/zinc/84/09/99/439840999.db2.gz OHTMVIJFQGUZCA-RDJZCZTQSA-N 1 3 344.463 0.545 20 0 ECADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCCN1CC[C@H](O)C1 ZINC000636555693 439930176 /nfs/dbraw/zinc/93/01/76/439930176.db2.gz BMSROYMYHBCCFI-SFHVURJKSA-N 1 3 346.475 0.801 20 0 ECADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)NCCN1CC[C@H](O)C1 ZINC000636555693 439930182 /nfs/dbraw/zinc/93/01/82/439930182.db2.gz BMSROYMYHBCCFI-SFHVURJKSA-N 1 3 346.475 0.801 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000652705658 439934144 /nfs/dbraw/zinc/93/41/44/439934144.db2.gz LYQCFSVLUXPWTK-GJZGRUSLSA-N 1 3 326.485 0.666 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000652705658 439934149 /nfs/dbraw/zinc/93/41/49/439934149.db2.gz LYQCFSVLUXPWTK-GJZGRUSLSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1cccs1 ZINC000617503616 439898577 /nfs/dbraw/zinc/89/85/77/439898577.db2.gz QRYZGRBGUGTIJA-ZDUSSCGKSA-N 1 3 340.493 0.866 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNC(=O)c1cccs1 ZINC000617503616 439898583 /nfs/dbraw/zinc/89/85/83/439898583.db2.gz QRYZGRBGUGTIJA-ZDUSSCGKSA-N 1 3 340.493 0.866 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000617505166 439899336 /nfs/dbraw/zinc/89/93/36/439899336.db2.gz XAXKGDBNXGKHLD-KBPBESRZSA-N 1 3 338.452 0.786 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000617505166 439899342 /nfs/dbraw/zinc/89/93/42/439899342.db2.gz XAXKGDBNXGKHLD-KBPBESRZSA-N 1 3 338.452 0.786 20 0 ECADHO Cc1cc(C)n(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(=O)n1 ZINC000617506860 439901423 /nfs/dbraw/zinc/90/14/23/439901423.db2.gz ALJPDGGKABRIHX-AWEZNQCLSA-N 1 3 337.468 0.248 20 0 ECADHO Cc1cc(C)n(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(=O)n1 ZINC000617506860 439901426 /nfs/dbraw/zinc/90/14/26/439901426.db2.gz ALJPDGGKABRIHX-AWEZNQCLSA-N 1 3 337.468 0.248 20 0 ECADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000641803611 439918559 /nfs/dbraw/zinc/91/85/59/439918559.db2.gz UHZPOCPIIPGCEP-ZIAGYGMSSA-N 1 3 332.452 0.231 20 0 ECADHO C[C@@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000631912691 439971279 /nfs/dbraw/zinc/97/12/79/439971279.db2.gz SXAHCELSXKJQLN-KBPBESRZSA-N 1 3 332.514 0.625 20 0 ECADHO Cc1cc(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)ccc1CN(C)C ZINC000626884347 439937182 /nfs/dbraw/zinc/93/71/82/439937182.db2.gz CSCPGOBLHHVVMF-UHFFFAOYSA-N 1 3 348.447 0.619 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626888159 439940797 /nfs/dbraw/zinc/94/07/97/439940797.db2.gz QPXCZSBOMABJFX-OCCSQVGLSA-N 1 3 348.447 0.952 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662925462 439946008 /nfs/dbraw/zinc/94/60/08/439946008.db2.gz QXQWYLSDSJQAHA-UHFFFAOYSA-N 1 3 334.464 0.271 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)Cc1ccccc1 ZINC000642094929 439948726 /nfs/dbraw/zinc/94/87/26/439948726.db2.gz UVOZJLBIWRAOHX-INIZCTEOSA-N 1 3 346.475 0.615 20 0 ECADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000662931042 439950842 /nfs/dbraw/zinc/95/08/42/439950842.db2.gz ZMAQRJYGICKUDJ-CSLYMUCUSA-N 1 3 334.464 0.413 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1F ZINC000626914215 439956479 /nfs/dbraw/zinc/95/64/79/439956479.db2.gz LJFCZPOJGMGONN-GFCCVEGCSA-N 1 3 338.383 0.183 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000662943143 439959659 /nfs/dbraw/zinc/95/96/59/439959659.db2.gz OXBMAVQZOGUCAY-MRXNPFEDSA-N 1 3 326.485 0.679 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000626932350 439962315 /nfs/dbraw/zinc/96/23/15/439962315.db2.gz LMDWACRRNZBSAG-GOSISDBHSA-N 1 3 345.491 0.985 20 0 ECADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000662947163 439963278 /nfs/dbraw/zinc/96/32/78/439963278.db2.gz LXLMQCXQPMQSCQ-SJORKVTESA-N 1 3 344.459 0.321 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000642262654 439963472 /nfs/dbraw/zinc/96/34/72/439963472.db2.gz ZBWDHEDKRGOZDR-RDJZCZTQSA-N 1 3 346.475 0.881 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000627020369 439993173 /nfs/dbraw/zinc/99/31/73/439993173.db2.gz GXGHLEHDUZMOLA-HNNXBMFYSA-N 1 3 330.473 0.365 20 0 ECADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000658568899 440010512 /nfs/dbraw/zinc/01/05/12/440010512.db2.gz SYZZNGXFBHWXHR-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000658568899 440010516 /nfs/dbraw/zinc/01/05/16/440010516.db2.gz SYZZNGXFBHWXHR-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C1CC[NH+](C)CC1 ZINC000642724341 440016934 /nfs/dbraw/zinc/01/69/34/440016934.db2.gz DYIVZWHDMRLPQU-OBJOEFQTSA-N 1 3 340.468 0.062 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000642761510 440027943 /nfs/dbraw/zinc/02/79/43/440027943.db2.gz XBBWDPGXMWSUMO-SGMGOOAPSA-N 1 3 338.477 0.711 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000642783364 440035010 /nfs/dbraw/zinc/03/50/10/440035010.db2.gz VKPSMGGMNNNKQG-OFQRWUPVSA-N 1 3 332.448 0.619 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000642909495 440061077 /nfs/dbraw/zinc/06/10/77/440061077.db2.gz OCBQJTJWQILPOF-HNNXBMFYSA-N 1 3 334.464 0.473 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000627244950 440065003 /nfs/dbraw/zinc/06/50/03/440065003.db2.gz AOKUKFPDYYAZLO-UONOGXRCSA-N 1 3 325.457 0.028 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642940049 440068602 /nfs/dbraw/zinc/06/86/02/440068602.db2.gz IUNNAPMAJFHPAB-GOEBONIOSA-N 1 3 332.448 0.430 20 0 ECADHO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642982492 440075355 /nfs/dbraw/zinc/07/53/55/440075355.db2.gz WADUJMACNKDYSZ-HNNXBMFYSA-N 1 3 336.480 0.722 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643006525 440079101 /nfs/dbraw/zinc/07/91/01/440079101.db2.gz OQIAWCNGLBXDRM-GJZGRUSLSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C[C@@H]21 ZINC000642785900 440039463 /nfs/dbraw/zinc/03/94/63/440039463.db2.gz PFZIQTJETXBUDJ-LVQVYYBASA-N 1 3 334.464 0.173 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627198426 440043414 /nfs/dbraw/zinc/04/34/14/440043414.db2.gz VFKPEFZQINSCDC-GJZGRUSLSA-N 1 3 339.484 0.323 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)[C@H]2C1 ZINC000627231396 440058777 /nfs/dbraw/zinc/05/87/77/440058777.db2.gz LMBUNNUFLIARHE-YUELXQCFSA-N 1 3 333.440 0.048 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627321002 440120033 /nfs/dbraw/zinc/12/00/33/440120033.db2.gz ZYJFHSPAUHYLPP-OLMNPRSZSA-N 1 3 336.480 0.435 20 0 ECADHO CN1CCN(CC2CCN(C(=O)NC[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000636989969 440123777 /nfs/dbraw/zinc/12/37/77/440123777.db2.gz YPDVBRSQAWNLMD-QGZVFWFLSA-N 1 3 337.512 0.798 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000663628005 440129588 /nfs/dbraw/zinc/12/95/88/440129588.db2.gz BWGKVDFKJWZVTC-MRXNPFEDSA-N 1 3 327.517 0.901 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000618551026 440132814 /nfs/dbraw/zinc/13/28/14/440132814.db2.gz NHSSZUSBWMHCPR-CVEARBPZSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000618551026 440132823 /nfs/dbraw/zinc/13/28/23/440132823.db2.gz NHSSZUSBWMHCPR-CVEARBPZSA-N 1 3 325.501 0.652 20 0 ECADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCN1CC[C@H](O)C1 ZINC000637023169 440134848 /nfs/dbraw/zinc/13/48/48/440134848.db2.gz LQXFCEUFKWSRRY-WBVHZDCISA-N 1 3 334.464 0.873 20 0 ECADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCN1CC[C@H](O)C1 ZINC000637023169 440134857 /nfs/dbraw/zinc/13/48/57/440134857.db2.gz LQXFCEUFKWSRRY-WBVHZDCISA-N 1 3 334.464 0.873 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627342715 440138544 /nfs/dbraw/zinc/13/85/44/440138544.db2.gz NTPYYXZIAPVNSP-USXIJHARSA-N 1 3 344.459 0.491 20 0 ECADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000643453451 440167846 /nfs/dbraw/zinc/16/78/46/440167846.db2.gz CKDPWQGFXDUNTG-ARFHVFGLSA-N 1 3 344.525 0.074 20 0 ECADHO CC1([NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000643494591 440184877 /nfs/dbraw/zinc/18/48/77/440184877.db2.gz GDPIABHVIRKEJF-OAHLLOKOSA-N 1 3 336.480 0.803 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC[C@@H]1[NH3+] ZINC000643494644 440186937 /nfs/dbraw/zinc/18/69/37/440186937.db2.gz SDTAYOBLDMIZGS-PMPSAXMXSA-N 1 3 336.480 0.659 20 0 ECADHO Cn1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1=O ZINC000647905736 440188947 /nfs/dbraw/zinc/18/89/47/440188947.db2.gz IMSNEJBKCWIUDV-JKSUJKDBSA-N 1 3 332.448 0.466 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1N(C)C ZINC000643520856 440197495 /nfs/dbraw/zinc/19/74/95/440197495.db2.gz ZSOIVXGRRMWLIT-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1N(C)C ZINC000643520857 440198620 /nfs/dbraw/zinc/19/86/20/440198620.db2.gz ZSOIVXGRRMWLIT-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637069803 440153985 /nfs/dbraw/zinc/15/39/85/440153985.db2.gz UQVLQDTZEMQQAD-GOSISDBHSA-N 1 3 345.491 0.808 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(OCC(F)F)C1 ZINC000637266555 440222650 /nfs/dbraw/zinc/22/26/50/440222650.db2.gz ZDXISHUIVAXTHW-LBPRGKRZSA-N 1 3 336.427 0.934 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(OCC(F)F)C1 ZINC000637266555 440222657 /nfs/dbraw/zinc/22/26/57/440222657.db2.gz ZDXISHUIVAXTHW-LBPRGKRZSA-N 1 3 336.427 0.934 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531913 440202555 /nfs/dbraw/zinc/20/25/55/440202555.db2.gz WIYWVWXPOCMBAC-DLBZAZTESA-N 1 3 344.459 0.540 20 0 ECADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647987278 440208001 /nfs/dbraw/zinc/20/80/01/440208001.db2.gz CCOLIYXAASDKAK-HOTGVXAUSA-N 1 3 336.480 0.437 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643545441 440208151 /nfs/dbraw/zinc/20/81/51/440208151.db2.gz UUZOGIYVPAXPCZ-FZKCQIBNSA-N 1 3 334.464 0.282 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CCF)CC1 ZINC000632487357 440246776 /nfs/dbraw/zinc/24/67/76/440246776.db2.gz HTDLFSVYGQYWIS-UHFFFAOYSA-N 1 3 344.475 0.536 20 0 ECADHO CCn1nc(C)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000627513423 440247182 /nfs/dbraw/zinc/24/71/82/440247182.db2.gz DRQGGINQAYTBRS-UHFFFAOYSA-N 1 3 338.456 0.102 20 0 ECADHO CC(C)N1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000664192085 440255073 /nfs/dbraw/zinc/25/50/73/440255073.db2.gz FSNMKZRBFXEDCW-GJZGRUSLSA-N 1 3 341.500 0.567 20 0 ECADHO CC(C)N1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000664192085 440255077 /nfs/dbraw/zinc/25/50/77/440255077.db2.gz FSNMKZRBFXEDCW-GJZGRUSLSA-N 1 3 341.500 0.567 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CN1C1CC1 ZINC000664367584 440297866 /nfs/dbraw/zinc/29/78/66/440297866.db2.gz LVGXQWLRZBYJRO-JKIFEVAISA-N 1 3 336.480 0.852 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CN1C1CC1 ZINC000664367584 440297874 /nfs/dbraw/zinc/29/78/74/440297874.db2.gz LVGXQWLRZBYJRO-JKIFEVAISA-N 1 3 336.480 0.852 20 0 ECADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654351043 440298154 /nfs/dbraw/zinc/29/81/54/440298154.db2.gz AVIPQBMTPPJVLT-FGTMMUONSA-N 1 3 344.459 0.721 20 0 ECADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654351043 440298160 /nfs/dbraw/zinc/29/81/60/440298160.db2.gz AVIPQBMTPPJVLT-FGTMMUONSA-N 1 3 344.459 0.721 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000664366987 440299235 /nfs/dbraw/zinc/29/92/35/440299235.db2.gz GQOAMJVKIBHBQD-KGLIPLIRSA-N 1 3 339.484 0.273 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000664366987 440299239 /nfs/dbraw/zinc/29/92/39/440299239.db2.gz GQOAMJVKIBHBQD-KGLIPLIRSA-N 1 3 339.484 0.273 20 0 ECADHO C[C@H]1C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)CN1C1CC1 ZINC000664366808 440299536 /nfs/dbraw/zinc/29/95/36/440299536.db2.gz CHNSNSLSADPBIE-GJZGRUSLSA-N 1 3 325.501 0.794 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCOC2CNC2)cc1 ZINC000659353468 440304395 /nfs/dbraw/zinc/30/43/95/440304395.db2.gz FCVWQKZBOQQHAL-IRXDYDNUSA-N 1 3 333.432 0.635 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000659376389 440309679 /nfs/dbraw/zinc/30/96/79/440309679.db2.gz LWKCDAWXPDEARH-OAHLLOKOSA-N 1 3 342.484 0.012 20 0 ECADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000659376388 440310175 /nfs/dbraw/zinc/31/01/75/440310175.db2.gz LWKCDAWXPDEARH-HNNXBMFYSA-N 1 3 342.484 0.012 20 0 ECADHO N[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[C@H]1F ZINC000659470661 440336924 /nfs/dbraw/zinc/33/69/24/440336924.db2.gz GGTLDTWEFIPFOX-WCVJEAGWSA-N 1 3 342.459 0.835 20 0 ECADHO Cc1nnc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000664621899 440343042 /nfs/dbraw/zinc/34/30/42/440343042.db2.gz VFPBAXVYDIDQEA-NSHDSACASA-N 1 3 328.486 0.918 20 0 ECADHO Cc1nnc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000664621899 440343048 /nfs/dbraw/zinc/34/30/48/440343048.db2.gz VFPBAXVYDIDQEA-NSHDSACASA-N 1 3 328.486 0.918 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000637864072 440349623 /nfs/dbraw/zinc/34/96/23/440349623.db2.gz LDGWVEGBTIQJMB-GOSISDBHSA-N 1 3 348.491 0.802 20 0 ECADHO O=C(NC[C@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659555237 440361803 /nfs/dbraw/zinc/36/18/03/440361803.db2.gz PGZMINUAOTWOTK-PMPSAXMXSA-N 1 3 336.411 0.559 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000659603158 440371153 /nfs/dbraw/zinc/37/11/53/440371153.db2.gz UVFOMQAAVCQJFB-GFCCVEGCSA-N 1 3 348.451 0.847 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000659603158 440371157 /nfs/dbraw/zinc/37/11/57/440371157.db2.gz UVFOMQAAVCQJFB-GFCCVEGCSA-N 1 3 348.451 0.847 20 0 ECADHO C[C@@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)[C@H](C[NH3+])C1 ZINC000659457897 440331208 /nfs/dbraw/zinc/33/12/08/440331208.db2.gz LPEILLSAOTZUSB-CVEARBPZSA-N 1 3 325.501 0.783 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000638064255 440422761 /nfs/dbraw/zinc/42/27/61/440422761.db2.gz SPERONPDLDZTKD-GOSISDBHSA-N 1 3 335.448 0.999 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000659688595 440423868 /nfs/dbraw/zinc/42/38/68/440423868.db2.gz BZVHHTRLDNYCLJ-PMPSAXMXSA-N 1 3 338.496 0.809 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000659632990 440387192 /nfs/dbraw/zinc/38/71/92/440387192.db2.gz NXQYZPDGTNDFIO-AWEZNQCLSA-N 1 3 348.451 0.801 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659675611 440411069 /nfs/dbraw/zinc/41/10/69/440411069.db2.gz RWPQSPQQDJMFLU-ZIAGYGMSSA-N 1 3 326.485 0.727 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000659680753 440414042 /nfs/dbraw/zinc/41/40/42/440414042.db2.gz KHNTXCMOGAEDNG-KLHDSHLOSA-N 1 3 340.512 0.959 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000659727030 440464782 /nfs/dbraw/zinc/46/47/82/440464782.db2.gz NYJHALYNFOWLBL-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000659742409 440480395 /nfs/dbraw/zinc/48/03/95/440480395.db2.gz SUBMAYKXLBYNEH-PMPSAXMXSA-N 1 3 338.496 0.809 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000659738253 440476503 /nfs/dbraw/zinc/47/65/03/440476503.db2.gz CJJSLMDSZYVGAP-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000659742213 440478105 /nfs/dbraw/zinc/47/81/05/440478105.db2.gz QFZXDENNPOVKIQ-SOUVJXGZSA-N 1 3 326.485 0.855 20 0 ECADHO CC(C)CC[C@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000638096763 440434384 /nfs/dbraw/zinc/43/43/84/440434384.db2.gz LQCBMUYQLHGDCF-GJZGRUSLSA-N 1 3 326.485 0.809 20 0 ECADHO C[NH+](C)CCCOc1ccc(CNC(=O)CN2CCNCC2)cc1 ZINC000638100929 440438374 /nfs/dbraw/zinc/43/83/74/440438374.db2.gz BGOQQJSWLVGIDH-UHFFFAOYSA-N 1 3 334.464 0.539 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659707804 440441897 /nfs/dbraw/zinc/44/18/97/440441897.db2.gz ZGDCWJFWNKLGSU-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2(N3CCCCC3)CCOCC2)C1 ZINC000638118527 440449159 /nfs/dbraw/zinc/44/91/59/440449159.db2.gz ZYVGADDXSRKGQT-DOTOQJQBSA-N 1 3 339.480 0.905 20 0 ECADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659715512 440451815 /nfs/dbraw/zinc/45/18/15/440451815.db2.gz WRJKFRHSBMPMOY-QGZVFWFLSA-N 1 3 344.459 0.097 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000659718883 440453686 /nfs/dbraw/zinc/45/36/86/440453686.db2.gz RHTJWCVYNGLISX-GJZGRUSLSA-N 1 3 338.496 0.999 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000633148373 440459828 /nfs/dbraw/zinc/45/98/28/440459828.db2.gz UZULBKGXDADVNC-KGLIPLIRSA-N 1 3 336.436 0.508 20 0 ECADHO COC[C@@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000638341665 440519190 /nfs/dbraw/zinc/51/91/90/440519190.db2.gz OYUFGOPTNCSRQO-GOEBONIOSA-N 1 3 336.440 0.059 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000665761064 440523170 /nfs/dbraw/zinc/52/31/70/440523170.db2.gz WABUNKDDOGFMFQ-GVDBMIGSSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000665760056 440523548 /nfs/dbraw/zinc/52/35/48/440523548.db2.gz XWGMOQHPHRKSBJ-LSDHHAIUSA-N 1 3 341.500 0.555 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000665760056 440523553 /nfs/dbraw/zinc/52/35/53/440523553.db2.gz XWGMOQHPHRKSBJ-LSDHHAIUSA-N 1 3 341.500 0.555 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000665761897 440524582 /nfs/dbraw/zinc/52/45/82/440524582.db2.gz TWBOWXFQSWNMNE-KBPBESRZSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000665761897 440524588 /nfs/dbraw/zinc/52/45/88/440524588.db2.gz TWBOWXFQSWNMNE-KBPBESRZSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(N2CCOCC2)CC1 ZINC000633614034 440526957 /nfs/dbraw/zinc/52/69/57/440526957.db2.gz LSGSXUINOOZJKN-HNNXBMFYSA-N 1 3 326.485 0.239 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(N2CCOCC2)CC1 ZINC000633614034 440526965 /nfs/dbraw/zinc/52/69/65/440526965.db2.gz LSGSXUINOOZJKN-HNNXBMFYSA-N 1 3 326.485 0.239 20 0 ECADHO O=C(CN1CC[NH2+]CC1)NCC1CCN(Cc2ccncc2)CC1 ZINC000638406203 440529129 /nfs/dbraw/zinc/52/91/29/440529129.db2.gz RMOCRRGJAKBYTH-UHFFFAOYSA-N 1 3 331.464 0.315 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649351962 440481522 /nfs/dbraw/zinc/48/15/22/440481522.db2.gz AUZNQAYHQOJYTI-FVQHAEBGSA-N 1 3 329.448 0.175 20 0 ECADHO C[C@@H]1CN(CC[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)C[C@@H](C)O1 ZINC000660120038 440601789 /nfs/dbraw/zinc/60/17/89/440601789.db2.gz BQPABRDUBALBKP-BFYDXBDKSA-N 1 3 338.496 0.510 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000638727725 440607839 /nfs/dbraw/zinc/60/78/39/440607839.db2.gz JRYMHTPTENNNIK-UHFFFAOYSA-N 1 3 325.453 0.468 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000638729995 440608415 /nfs/dbraw/zinc/60/84/15/440608415.db2.gz WHPSSGCJBVDCQO-INIZCTEOSA-N 1 3 339.480 0.858 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000660304736 440631163 /nfs/dbraw/zinc/63/11/63/440631163.db2.gz GUUAPCOUYOTDRA-CABCVRRESA-N 1 3 340.468 0.607 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000660304736 440631166 /nfs/dbraw/zinc/63/11/66/440631166.db2.gz GUUAPCOUYOTDRA-CABCVRRESA-N 1 3 340.468 0.607 20 0 ECADHO CO[C@@]1(C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CCOC1 ZINC000638874038 440635593 /nfs/dbraw/zinc/63/55/93/440635593.db2.gz XCOUBUKSPFYYTI-GOSISDBHSA-N 1 3 335.448 0.873 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1(C)C ZINC000655929855 440649230 /nfs/dbraw/zinc/64/92/30/440649230.db2.gz WZZADYNRJSHUJZ-SNVBAGLBSA-N 1 3 325.379 0.201 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000655954718 440659755 /nfs/dbraw/zinc/65/97/55/440659755.db2.gz KORUVYPSGUOING-DRQUAOQDSA-N 1 3 330.432 0.727 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000639004462 440661829 /nfs/dbraw/zinc/66/18/29/440661829.db2.gz IQGSBOTZUANWML-SJORKVTESA-N 1 3 344.459 0.554 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)CC1=O ZINC000639024895 440666780 /nfs/dbraw/zinc/66/67/80/440666780.db2.gz QWBUCWARHPWXRQ-ZBFHGGJFSA-N 1 3 344.459 0.561 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC000639043575 440667512 /nfs/dbraw/zinc/66/75/12/440667512.db2.gz TWEDGRQPZSMTEY-VGWMRTNUSA-N 1 3 336.480 0.705 20 0 ECADHO NC[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(F)(F)F ZINC000655914291 440641026 /nfs/dbraw/zinc/64/10/26/440641026.db2.gz FOWRXMBXHACYRG-LLVKDONJSA-N 1 3 338.374 0.820 20 0 ECADHO C[C@@H](C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1)CN1CCN(C)CC1 ZINC000644562715 440646508 /nfs/dbraw/zinc/64/65/08/440646508.db2.gz MEDWRMLHHINSPN-AZUAARDMSA-N 1 3 348.535 0.952 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCC[NH2+]C1 ZINC000656024356 440695555 /nfs/dbraw/zinc/69/55/55/440695555.db2.gz KZHHHFCSYJHUGR-MPGHIAIKSA-N 1 3 336.480 0.625 20 0 ECADHO COCC1(NCCC[NH2+]C2(COC)CCOCC2)CCOCC1 ZINC000660634225 440699131 /nfs/dbraw/zinc/69/91/31/440699131.db2.gz JOBPWEJDOAQNCJ-UHFFFAOYSA-N 1 3 330.469 0.947 20 0 ECADHO COC[C@]1(CO)CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639665752 440754696 /nfs/dbraw/zinc/75/46/96/440754696.db2.gz IKNCEUHATZSVFM-MOPGFXCFSA-N 1 3 334.460 0.954 20 0 ECADHO COC[C@]1(CO)CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639665752 440754701 /nfs/dbraw/zinc/75/47/01/440754701.db2.gz IKNCEUHATZSVFM-MOPGFXCFSA-N 1 3 334.460 0.954 20 0 ECADHO C[NH2+]CCOCCN[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000629528535 440717652 /nfs/dbraw/zinc/71/76/52/440717652.db2.gz BIDPGQCPALGTHY-ZDUSSCGKSA-N 1 3 329.466 0.824 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656309299 440760733 /nfs/dbraw/zinc/76/07/33/440760733.db2.gz NWKADGJBJCQNMZ-HRCADAONSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656309299 440760734 /nfs/dbraw/zinc/76/07/34/440760734.db2.gz NWKADGJBJCQNMZ-HRCADAONSA-N 1 3 338.496 0.966 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645265165 440773646 /nfs/dbraw/zinc/77/36/46/440773646.db2.gz SOQLQPGCRRFYPT-CQSZACIVSA-N 1 3 327.473 0.480 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645265165 440773647 /nfs/dbraw/zinc/77/36/47/440773647.db2.gz SOQLQPGCRRFYPT-CQSZACIVSA-N 1 3 327.473 0.480 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645273399 440776545 /nfs/dbraw/zinc/77/65/45/440776545.db2.gz IHGHXXZIWPNCRG-VNHYZAJKSA-N 1 3 337.468 0.231 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645273399 440776549 /nfs/dbraw/zinc/77/65/49/440776549.db2.gz IHGHXXZIWPNCRG-VNHYZAJKSA-N 1 3 337.468 0.231 20 0 ECADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757618 440786843 /nfs/dbraw/zinc/78/68/43/440786843.db2.gz JQBJPPQJLYZQMF-CABCVRRESA-N 1 3 336.480 0.517 20 0 ECADHO CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC000645619858 440862479 /nfs/dbraw/zinc/86/24/79/440862479.db2.gz NBIUMHPFZFQKKV-DOTOQJQBSA-N 1 3 344.459 0.892 20 0 ECADHO C[N@H+](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)CC(C)(C)C ZINC000635497794 440869241 /nfs/dbraw/zinc/86/92/41/440869241.db2.gz OMGABEKVTXFTCE-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO C[N@@H+](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)CC(C)(C)C ZINC000635497794 440869246 /nfs/dbraw/zinc/86/92/46/440869246.db2.gz OMGABEKVTXFTCE-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CN(CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CC(C)(C)C ZINC000635489169 440870800 /nfs/dbraw/zinc/87/08/00/440870800.db2.gz XXBGLWISXFQNKB-AWEZNQCLSA-N 1 3 326.485 0.668 20 0 ECADHO CN(CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)CC(C)(C)C ZINC000635489169 440870803 /nfs/dbraw/zinc/87/08/03/440870803.db2.gz XXBGLWISXFQNKB-AWEZNQCLSA-N 1 3 326.485 0.668 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000645959190 440956806 /nfs/dbraw/zinc/95/68/06/440956806.db2.gz FNXGVHGCCXDLEX-CVEARBPZSA-N 1 3 349.479 0.630 20 0 ECADHO CC[C@H](NC(C)=O)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000630880011 440975399 /nfs/dbraw/zinc/97/53/99/440975399.db2.gz PDKWJHHFICMHNJ-HOTGVXAUSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](NC(C)=O)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000630880011 440975403 /nfs/dbraw/zinc/97/54/03/440975403.db2.gz PDKWJHHFICMHNJ-HOTGVXAUSA-N 1 3 326.485 0.776 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000646105932 440995342 /nfs/dbraw/zinc/99/53/42/440995342.db2.gz MMKSJMGUZOGMGU-INIZCTEOSA-N 1 3 342.447 0.973 20 0 ECADHO COCCOCCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338375 441016365 /nfs/dbraw/zinc/01/63/65/441016365.db2.gz RDFVFKXJWHHMAT-OAHLLOKOSA-N 1 3 337.468 0.662 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631279756 441040146 /nfs/dbraw/zinc/04/01/46/441040146.db2.gz GNXKIQFLBFDPEG-OAHLLOKOSA-N 1 3 336.484 0.201 20 0 ECADHO COCCN(C)C[C@H](O)Cn1cc(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000641223604 441078525 /nfs/dbraw/zinc/07/85/25/441078525.db2.gz PEEWPRWFAQXJRT-IRXDYDNUSA-N 1 3 333.436 0.460 20 0 ECADHO CO[C@H](CN)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000290088080 320677897 /nfs/dbraw/zinc/67/78/97/320677897.db2.gz JGDAMPWUIBWBPX-DLBZAZTESA-N 1 3 335.448 0.522 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)CN1C1CC1 ZINC000340203397 321021344 /nfs/dbraw/zinc/02/13/44/321021344.db2.gz MTOFSBVYXNEWFM-LSDHHAIUSA-N 1 3 336.480 0.576 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340219188 321024297 /nfs/dbraw/zinc/02/42/97/321024297.db2.gz ZRIDNQMSYMIYDH-HUUCEWRRSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000340250349 321028967 /nfs/dbraw/zinc/02/89/67/321028967.db2.gz AHPGRPWIBGVQJE-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000340250349 321028968 /nfs/dbraw/zinc/02/89/68/321028968.db2.gz AHPGRPWIBGVQJE-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CCSC1 ZINC000340417980 321042625 /nfs/dbraw/zinc/04/26/25/321042625.db2.gz GAVUNWNXCLACGN-XJKSGUPXSA-N 1 3 342.509 0.093 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C(C)C)CC2)CC1 ZINC000341242664 321052513 /nfs/dbraw/zinc/05/25/13/321052513.db2.gz XIBFBJWICVKWRW-KRWDZBQOSA-N 1 3 339.528 0.996 20 0 ECADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N(C)CCN(C)C)([NH+](C)C)C1 ZINC000343004718 321115672 /nfs/dbraw/zinc/11/56/72/321115672.db2.gz XLFWVZIYVJFOPK-RHSMWYFYSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000344264307 321145830 /nfs/dbraw/zinc/14/58/30/321145830.db2.gz GLIDLOQIESLIHI-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000344264307 321145831 /nfs/dbraw/zinc/14/58/31/321145831.db2.gz GLIDLOQIESLIHI-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000347052837 321228662 /nfs/dbraw/zinc/22/86/62/321228662.db2.gz KOBKVFNSICLHPV-GDBMZVCRSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000347856421 321254808 /nfs/dbraw/zinc/25/48/08/321254808.db2.gz NKIDMTAKKUMCAC-CQSZACIVSA-N 1 3 348.447 0.633 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000347856421 321254809 /nfs/dbraw/zinc/25/48/09/321254809.db2.gz NKIDMTAKKUMCAC-CQSZACIVSA-N 1 3 348.447 0.633 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000347957437 321259250 /nfs/dbraw/zinc/25/92/50/321259250.db2.gz AUITXVYFYJBYGD-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347957437 321259251 /nfs/dbraw/zinc/25/92/51/321259251.db2.gz AUITXVYFYJBYGD-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)[C@@H](C)C1 ZINC000347960965 321259545 /nfs/dbraw/zinc/25/95/45/321259545.db2.gz CLSJFOWJYKAUIE-JJXSEGSLSA-N 1 3 338.496 0.774 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)[C@@H](C)C1 ZINC000347960965 321259547 /nfs/dbraw/zinc/25/95/47/321259547.db2.gz CLSJFOWJYKAUIE-JJXSEGSLSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[N@@H+]1C ZINC000347980572 321262566 /nfs/dbraw/zinc/26/25/66/321262566.db2.gz RUBMLJOSEPWFMP-QLFBSQMISA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[N@H+]1C ZINC000347980572 321262567 /nfs/dbraw/zinc/26/25/67/321262567.db2.gz RUBMLJOSEPWFMP-QLFBSQMISA-N 1 3 338.496 0.822 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000353101923 321381752 /nfs/dbraw/zinc/38/17/52/321381752.db2.gz MDKYNCUFVBXHHT-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000353101923 321381753 /nfs/dbraw/zinc/38/17/53/321381753.db2.gz MDKYNCUFVBXHHT-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000559781667 322224929 /nfs/dbraw/zinc/22/49/29/322224929.db2.gz PFNCVTIMTDLTBM-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000560612560 322247512 /nfs/dbraw/zinc/24/75/12/322247512.db2.gz WQKGCSMNXRVCTP-INIZCTEOSA-N 1 3 344.525 0.864 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NC2CC[NH+](C3CCC3)CC2)CC1=O ZINC000562949863 322289180 /nfs/dbraw/zinc/28/91/80/322289180.db2.gz WYBOIMQAWZEVHX-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000563088531 322296895 /nfs/dbraw/zinc/29/68/95/322296895.db2.gz KZGBBYCUKIILAH-AFIMGQEJSA-N 1 3 336.480 0.025 20 0 ECADHO CCN1CCC(NC(=O)CN2CCC([NH2+]CCOC)CC2)CC1 ZINC000563269824 322307373 /nfs/dbraw/zinc/30/73/73/322307373.db2.gz ZKBDSGNOMNBAHH-UHFFFAOYSA-N 1 3 326.485 0.287 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000563415036 322317014 /nfs/dbraw/zinc/31/70/14/322317014.db2.gz BUTVHCZPKJCDPD-HNNXBMFYSA-N 1 3 335.452 0.734 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000563545573 322327782 /nfs/dbraw/zinc/32/77/82/322327782.db2.gz FBDYVRROVRFISE-OWCLPIDISA-N 1 3 325.501 0.639 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000563545573 322327784 /nfs/dbraw/zinc/32/77/84/322327784.db2.gz FBDYVRROVRFISE-OWCLPIDISA-N 1 3 325.501 0.639 20 0 ECADHO CC[NH+]1CCC(NC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000564844528 322398601 /nfs/dbraw/zinc/39/86/01/322398601.db2.gz ODJLAQSYHCDMLN-MRXNPFEDSA-N 1 3 346.431 0.938 20 0 ECADHO C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@H](N3CCCC3)C1)CC[NH2+]CC2 ZINC000564842579 322398716 /nfs/dbraw/zinc/39/87/16/322398716.db2.gz VQQXUESTYXVZKG-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CC[NH2+]C2CC2)c1 ZINC000565217583 322440670 /nfs/dbraw/zinc/44/06/70/322440670.db2.gz TYVSDJRFDOKRRS-UHFFFAOYSA-N 1 3 332.448 0.736 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000572377136 322743718 /nfs/dbraw/zinc/74/37/18/322743718.db2.gz MKRKWEUUDFMUFQ-OAHLLOKOSA-N 1 3 348.495 0.855 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)S1 ZINC000573067513 322755845 /nfs/dbraw/zinc/75/58/45/322755845.db2.gz LLEZGAIITXRWBH-KBPBESRZSA-N 1 3 344.525 0.291 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000576819332 322817107 /nfs/dbraw/zinc/81/71/07/322817107.db2.gz GEZWDEOMAAMDQM-CQSZACIVSA-N 1 3 343.493 0.473 20 0 ECADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001078012067 782134893 /nfs/dbraw/zinc/13/48/93/782134893.db2.gz TZTGVSDWXREVKX-BZUAXINKSA-N 1 3 337.464 0.059 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000126753935 545771910 /nfs/dbraw/zinc/77/19/10/545771910.db2.gz LHFYVHFURPUMSE-OWCLPIDISA-N 1 3 337.512 0.794 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000126753935 545771916 /nfs/dbraw/zinc/77/19/16/545771916.db2.gz LHFYVHFURPUMSE-OWCLPIDISA-N 1 3 337.512 0.794 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000333791412 546063869 /nfs/dbraw/zinc/06/38/69/546063869.db2.gz GGCFXGLPVAVYQF-ZNMIVQPWSA-N 1 3 337.468 0.075 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C[C@H](C)O1 ZINC000359764180 546171534 /nfs/dbraw/zinc/17/15/34/546171534.db2.gz DZKQTHUMMONBDY-IGKNDFSCSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C[C@H](C)O1 ZINC000359764180 546171542 /nfs/dbraw/zinc/17/15/42/546171542.db2.gz DZKQTHUMMONBDY-IGKNDFSCSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)C[C@H](C)O1 ZINC000359764180 546171547 /nfs/dbraw/zinc/17/15/47/546171547.db2.gz DZKQTHUMMONBDY-IGKNDFSCSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)C[C@H](C)O1 ZINC000359764180 546171551 /nfs/dbraw/zinc/17/15/51/546171551.db2.gz DZKQTHUMMONBDY-IGKNDFSCSA-N 1 3 325.497 0.873 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414771191 546205171 /nfs/dbraw/zinc/20/51/71/546205171.db2.gz ZHUHAWLZOAXTHJ-CYBMUJFWSA-N 1 3 348.447 0.954 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414771193 546205255 /nfs/dbraw/zinc/20/52/55/546205255.db2.gz ZHUHAWLZOAXTHJ-ZDUSSCGKSA-N 1 3 348.447 0.954 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415650271 546206606 /nfs/dbraw/zinc/20/66/06/546206606.db2.gz PYVOSMMNYPTUCT-KBPBESRZSA-N 1 3 348.447 0.952 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000420924809 546211942 /nfs/dbraw/zinc/21/19/42/546211942.db2.gz KNFUZZSZKANMNN-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NCc2c[nH]c3nccnc23)CC1 ZINC000517267587 546261039 /nfs/dbraw/zinc/26/10/39/546261039.db2.gz YWEFTSLQJKXJAE-UHFFFAOYSA-N 1 3 330.436 0.942 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621645406 546534260 /nfs/dbraw/zinc/53/42/60/546534260.db2.gz GMUSLAOABCTIQL-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(c3ccncc3)CC1)C2 ZINC000622025088 546606809 /nfs/dbraw/zinc/60/68/09/546606809.db2.gz KHBLBPYSDPMKIV-KDOFPFPSSA-N 1 3 343.431 0.070 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)C2)C1 ZINC000622031008 546612364 /nfs/dbraw/zinc/61/23/64/546612364.db2.gz FSJBJAAOXZGABH-FHLIZLRMSA-N 1 3 334.464 0.271 20 0 ECADHO CC1[C@H](C(=O)NCCN(C)C2CC2)[C@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000667158968 547480909 /nfs/dbraw/zinc/48/09/09/547480909.db2.gz PCVBRIKLOOFYDR-HOTGVXAUSA-N 1 3 336.480 0.289 20 0 ECADHO CC1[C@H](C(=O)NCCN(C)C2CC2)[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000667158968 547480912 /nfs/dbraw/zinc/48/09/12/547480912.db2.gz PCVBRIKLOOFYDR-HOTGVXAUSA-N 1 3 336.480 0.289 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000667541816 547530498 /nfs/dbraw/zinc/53/04/98/547530498.db2.gz BKTHLYYTBIVXDR-ZBFHGGJFSA-N 1 3 330.432 0.897 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(n1)OCCO2 ZINC000667745899 547553387 /nfs/dbraw/zinc/55/33/87/547553387.db2.gz FMVQBAVKCMBINO-UHFFFAOYSA-N 1 3 337.424 0.810 20 0 ECADHO CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000668361614 547634651 /nfs/dbraw/zinc/63/46/51/547634651.db2.gz GOVFIGGXTBOGCS-HNNXBMFYSA-N 1 3 336.480 0.720 20 0 ECADHO CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000668361614 547634653 /nfs/dbraw/zinc/63/46/53/547634653.db2.gz GOVFIGGXTBOGCS-HNNXBMFYSA-N 1 3 336.480 0.720 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000668373917 547638127 /nfs/dbraw/zinc/63/81/27/547638127.db2.gz NHWFFFSIPTWXRC-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000668547004 547682830 /nfs/dbraw/zinc/68/28/30/547682830.db2.gz ASFBSPXVCWOOTM-KBPBESRZSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000668547004 547682833 /nfs/dbraw/zinc/68/28/33/547682833.db2.gz ASFBSPXVCWOOTM-KBPBESRZSA-N 1 3 336.480 0.576 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000668651403 547712879 /nfs/dbraw/zinc/71/28/79/547712879.db2.gz HQAKNXKOPBPBDT-XHSDSOJGSA-N 1 3 338.496 0.824 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000668651403 547712881 /nfs/dbraw/zinc/71/28/81/547712881.db2.gz HQAKNXKOPBPBDT-XHSDSOJGSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCC[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000669403411 547886108 /nfs/dbraw/zinc/88/61/08/547886108.db2.gz ZZGJLHIBZKCWLB-KBPBESRZSA-N 1 3 325.457 0.110 20 0 ECADHO CCC[C@@H]1CNCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000669484235 547895412 /nfs/dbraw/zinc/89/54/12/547895412.db2.gz LIPKWVRDBPHXPN-NVXWUHKLSA-N 1 3 337.512 0.938 20 0 ECADHO CCC[C@@H]1CNCCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669484235 547895415 /nfs/dbraw/zinc/89/54/15/547895415.db2.gz LIPKWVRDBPHXPN-NVXWUHKLSA-N 1 3 337.512 0.938 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000670997047 548077956 /nfs/dbraw/zinc/07/79/56/548077956.db2.gz UKHLCHBPPAFBQB-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000671091669 548089071 /nfs/dbraw/zinc/08/90/71/548089071.db2.gz AHMJRWKWYMTRFF-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671123246 548095887 /nfs/dbraw/zinc/09/58/87/548095887.db2.gz DXVOVNWTJXHWAI-FMKPAKJESA-N 1 3 334.464 0.282 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000671123246 548095890 /nfs/dbraw/zinc/09/58/90/548095890.db2.gz DXVOVNWTJXHWAI-FMKPAKJESA-N 1 3 334.464 0.282 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000671365744 548128942 /nfs/dbraw/zinc/12/89/42/548128942.db2.gz LVJBTWCEPRYOKH-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672007995 548253472 /nfs/dbraw/zinc/25/34/72/548253472.db2.gz OAZJBOZIXOKEOC-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672013633 548255595 /nfs/dbraw/zinc/25/55/95/548255595.db2.gz FTDDDUVXYZMVRR-IJEWVQPXSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000672098940 548269280 /nfs/dbraw/zinc/26/92/80/548269280.db2.gz QZBVDHIJYICNSA-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000672098940 548269283 /nfs/dbraw/zinc/26/92/83/548269283.db2.gz QZBVDHIJYICNSA-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000672698523 548375849 /nfs/dbraw/zinc/37/58/49/548375849.db2.gz RTLNIDCONHLZQS-ZNMIVQPWSA-N 1 3 336.480 0.718 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000673149129 548452963 /nfs/dbraw/zinc/45/29/63/548452963.db2.gz VIXUSNBBGWHGQO-OAHLLOKOSA-N 1 3 342.484 0.060 20 0 ECADHO CN1CCC[C@@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000677809701 548958397 /nfs/dbraw/zinc/95/83/97/548958397.db2.gz WMQLCTMMNZQNRC-OAHLLOKOSA-N 1 3 335.452 0.915 20 0 ECADHO CN(C(=O)[C@H]1CN2CCN1CCC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000677911839 548973071 /nfs/dbraw/zinc/97/30/71/548973071.db2.gz IGQUFMANPSLTTD-ZWKOTPCHSA-N 1 3 349.523 0.003 20 0 ECADHO CN(C(=O)[C@H]1CN2CCN1CCC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000677911839 548973074 /nfs/dbraw/zinc/97/30/74/548973074.db2.gz IGQUFMANPSLTTD-ZWKOTPCHSA-N 1 3 349.523 0.003 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000685445057 549693770 /nfs/dbraw/zinc/69/37/70/549693770.db2.gz REJUSNHUDOLJBB-HOCLYGCPSA-N 1 3 336.480 0.742 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=S)NCCC[NH+](C)C)CC2)C1 ZINC000734308472 578356088 /nfs/dbraw/zinc/35/60/88/578356088.db2.gz DRPSSNVPPGITIF-HNNXBMFYSA-N 1 3 327.542 0.524 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000793696502 578935253 /nfs/dbraw/zinc/93/52/53/578935253.db2.gz AVQUVAHDULYDTA-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841139091 588979113 /nfs/dbraw/zinc/97/91/13/588979113.db2.gz AZMIUTQCQJEYRT-OAHLLOKOSA-N 1 3 348.447 0.904 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)cc2)CC1 ZINC000841243162 588984484 /nfs/dbraw/zinc/98/44/84/588984484.db2.gz QPXJKDBNEJTCQT-UHFFFAOYSA-N 1 3 345.447 0.197 20 0 ECADHO O=C(C[C@@H]1CNCCO1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847860 589003021 /nfs/dbraw/zinc/00/30/21/589003021.db2.gz WJHFGMSEROYAHV-MRXNPFEDSA-N 1 3 347.415 0.912 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N1CCCCC1 ZINC000842016761 589008484 /nfs/dbraw/zinc/00/84/84/589008484.db2.gz XTJRQXPDDQZPEA-MAUKXSAKSA-N 1 3 336.480 0.579 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000842190395 589019180 /nfs/dbraw/zinc/01/91/80/589019180.db2.gz RZAIFXXPWUXWHS-LJQANCHMSA-N 1 3 346.475 0.741 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000842228811 589022826 /nfs/dbraw/zinc/02/28/26/589022826.db2.gz BFBXBYXMEDBFMU-UHFFFAOYSA-N 1 3 346.475 0.747 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842230263 589023000 /nfs/dbraw/zinc/02/30/00/589023000.db2.gz XTTUMKUNFQLVQQ-KRWDZBQOSA-N 1 3 346.475 0.604 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891340703 586163613 /nfs/dbraw/zinc/16/36/13/586163613.db2.gz SXZLEXFLHVNFSQ-OAHLLOKOSA-N 1 3 325.501 0.925 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891355909 586165161 /nfs/dbraw/zinc/16/51/61/586165161.db2.gz BQEORVKWWGQBCO-WMZOPIPTSA-N 1 3 337.512 0.988 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891538188 586174835 /nfs/dbraw/zinc/17/48/35/586174835.db2.gz SHMNZVXVPYYWGD-STQMWFEESA-N 1 3 334.411 0.641 20 0 ECADHO CN1CCN(CCCCNC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000891578841 586179026 /nfs/dbraw/zinc/17/90/26/586179026.db2.gz BBZDYBOQAAKKRU-UHFFFAOYSA-N 1 3 325.501 0.975 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891765270 586195608 /nfs/dbraw/zinc/19/56/08/586195608.db2.gz KTXVSZNEQJBXMK-KSZLIROESA-N 1 3 344.459 0.899 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1C1OCCO1 ZINC000895665810 586197126 /nfs/dbraw/zinc/19/71/26/586197126.db2.gz HBDGSBNBRIRBEI-GJZGRUSLSA-N 1 3 342.484 0.805 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1C1OCCO1 ZINC000895665810 586197128 /nfs/dbraw/zinc/19/71/28/586197128.db2.gz HBDGSBNBRIRBEI-GJZGRUSLSA-N 1 3 342.484 0.805 20 0 ECADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000891891246 586203461 /nfs/dbraw/zinc/20/34/61/586203461.db2.gz NSUVLXYFRGHAGF-ZACQAIPSSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000891891246 586203463 /nfs/dbraw/zinc/20/34/63/586203463.db2.gz NSUVLXYFRGHAGF-ZACQAIPSSA-N 1 3 338.496 0.959 20 0 ECADHO CN1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1(C)C ZINC000892132386 586223885 /nfs/dbraw/zinc/22/38/85/586223885.db2.gz HKRWQIDCGILWHT-UHFFFAOYSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1(C)C ZINC000892132386 586223887 /nfs/dbraw/zinc/22/38/87/586223887.db2.gz HKRWQIDCGILWHT-UHFFFAOYSA-N 1 3 337.512 0.938 20 0 ECADHO [NH3+][C@H](CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000892409823 586264363 /nfs/dbraw/zinc/26/43/63/586264363.db2.gz CKMLTDLKOGJEHQ-IXDOHACOSA-N 1 3 332.448 0.407 20 0 ECADHO CCO[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C[NH+](C)C ZINC000896682760 586266524 /nfs/dbraw/zinc/26/65/24/586266524.db2.gz NOILXBTYWBSYQX-OWCLPIDISA-N 1 3 342.484 0.194 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892465328 586267763 /nfs/dbraw/zinc/26/77/63/586267763.db2.gz QNZOSBPLPZWEIG-CSLYMUCUSA-N 1 3 349.479 0.301 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000892482560 586268662 /nfs/dbraw/zinc/26/86/62/586268662.db2.gz YPDJCSKXFUASKC-CABCVRRESA-N 1 3 326.485 0.911 20 0 ECADHO CS[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1N(C)C ZINC000897237429 586290314 /nfs/dbraw/zinc/29/03/14/586290314.db2.gz INKBMVZTSXUYPW-GJZGRUSLSA-N 1 3 327.494 0.601 20 0 ECADHO C[C@H]1CC[N@H+](CCNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000894600738 586402930 /nfs/dbraw/zinc/40/29/30/586402930.db2.gz FGMMXVUGRCUQJN-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H]1CC[N@@H+](CCNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000894600738 586402933 /nfs/dbraw/zinc/40/29/33/586402933.db2.gz FGMMXVUGRCUQJN-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO CCO[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@H]1OC ZINC000894897792 586418249 /nfs/dbraw/zinc/41/82/49/586418249.db2.gz YFRZOADOBKJIHX-GVDBMIGSSA-N 1 3 341.496 0.565 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894925830 586419574 /nfs/dbraw/zinc/41/95/74/586419574.db2.gz OUSQXXNRHFRRNQ-XHSDSOJGSA-N 1 3 326.485 0.956 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894925830 586419577 /nfs/dbraw/zinc/41/95/77/586419577.db2.gz OUSQXXNRHFRRNQ-XHSDSOJGSA-N 1 3 326.485 0.956 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894925827 586419588 /nfs/dbraw/zinc/41/95/88/586419588.db2.gz OUSQXXNRHFRRNQ-ARFHVFGLSA-N 1 3 326.485 0.956 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894925827 586419590 /nfs/dbraw/zinc/41/95/90/586419590.db2.gz OUSQXXNRHFRRNQ-ARFHVFGLSA-N 1 3 326.485 0.956 20 0 ECADHO COC[C@H](CCC[NH3+])NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000902514038 586741065 /nfs/dbraw/zinc/74/10/65/586741065.db2.gz LHPYRKWQMSZBCT-AWEZNQCLSA-N 1 3 329.466 0.926 20 0 ECADHO CCN1CC[C@H]2OCCN(C(=S)NCC3CC[NH+](C)CC3)[C@H]2C1 ZINC000840754470 586759437 /nfs/dbraw/zinc/75/94/37/586759437.db2.gz HSSVLRIKDOLWQV-JKSUJKDBSA-N 1 3 340.537 0.998 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903731148 586802680 /nfs/dbraw/zinc/80/26/80/586802680.db2.gz XOPRVZIGRRVYAN-IJEWVQPXSA-N 1 3 338.496 0.618 20 0 ECADHO CN(C[C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000903758777 586812999 /nfs/dbraw/zinc/81/29/99/586812999.db2.gz MJLGZGWMCYREHM-XHSDSOJGSA-N 1 3 345.509 0.358 20 0 ECADHO CNS(=O)(=O)C[C@@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903775206 586813716 /nfs/dbraw/zinc/81/37/16/586813716.db2.gz ITFMVPBRRRZZKH-CABCVRRESA-N 1 3 345.509 0.406 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000903780738 586814774 /nfs/dbraw/zinc/81/47/74/586814774.db2.gz DGAQKDWOEYPZNE-INIZCTEOSA-N 1 3 345.447 0.331 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCC(=O)N1CCN(c3ccccn3)CC1)C2 ZINC000903843249 586819859 /nfs/dbraw/zinc/81/98/59/586819859.db2.gz GPDWQHULMJKZNG-BBWFWOEESA-N 1 3 343.475 0.932 20 0 ECADHO CN1CCC[C@@H](N2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000903893852 586823673 /nfs/dbraw/zinc/82/36/73/586823673.db2.gz ZWJGMJFLUWQPKB-IAGOWNOFSA-N 1 3 347.511 0.414 20 0 ECADHO CC1(N2CCOCC2)CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903934727 586826933 /nfs/dbraw/zinc/82/69/33/586826933.db2.gz JGFLXXDJBYEWAG-MRXNPFEDSA-N 1 3 348.495 0.889 20 0 ECADHO COCCCn1nccc1CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903977533 586828417 /nfs/dbraw/zinc/82/84/17/586828417.db2.gz SEYCPUGEYBATMM-VBQJREDUSA-N 1 3 336.436 0.632 20 0 ECADHO COCCn1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cn1 ZINC000903980063 586828627 /nfs/dbraw/zinc/82/86/27/586828627.db2.gz FSCQIKWXRFQZDV-HDICACEKSA-N 1 3 333.480 0.930 20 0 ECADHO COCCn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cn1 ZINC000903980063 586828630 /nfs/dbraw/zinc/82/86/30/586828630.db2.gz FSCQIKWXRFQZDV-HDICACEKSA-N 1 3 333.480 0.930 20 0 ECADHO COCCn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cn1 ZINC000903980063 586828632 /nfs/dbraw/zinc/82/86/32/586828632.db2.gz FSCQIKWXRFQZDV-HDICACEKSA-N 1 3 333.480 0.930 20 0 ECADHO C[C@]1(C2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)COC(=O)N1 ZINC000903986452 586829456 /nfs/dbraw/zinc/82/94/56/586829456.db2.gz JXDHMKNSAJJBJW-SUMWQHHRSA-N 1 3 338.452 0.394 20 0 ECADHO NC(=O)COc1ccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000904391757 586836723 /nfs/dbraw/zinc/83/67/23/586836723.db2.gz JJCVMLWRQSZKQH-INIZCTEOSA-N 1 3 333.432 0.881 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)C2 ZINC000904999537 586856976 /nfs/dbraw/zinc/85/69/76/586856976.db2.gz PVQLEQZFRGRGMK-FZKCQIBNSA-N 1 3 334.464 0.411 20 0 ECADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000905010809 586860981 /nfs/dbraw/zinc/86/09/81/586860981.db2.gz UQWDWIJVZOTNRW-HDMKZQKVSA-N 1 3 334.464 0.413 20 0 ECADHO O[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)C1(O)CCCC1 ZINC000905079076 586867010 /nfs/dbraw/zinc/86/70/10/586867010.db2.gz DJVYVLHAYCCNRK-SFHVURJKSA-N 1 3 348.491 0.849 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC[C@H](O)C[C@@]2(O)CCOC2)cc1 ZINC000905089767 586868194 /nfs/dbraw/zinc/86/81/94/586868194.db2.gz QMDUKKIWKSQBDO-AEFFLSMTSA-N 1 3 338.448 0.619 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)C1(O)CCOCC1 ZINC000905074334 586869812 /nfs/dbraw/zinc/86/98/12/586869812.db2.gz GRFAIDMDAAZQOS-KRWDZBQOSA-N 1 3 338.448 0.619 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)C[C@@]1(O)CCOC1 ZINC000905077124 586869869 /nfs/dbraw/zinc/86/98/69/586869869.db2.gz VGXSICAJVPGUEP-AEFFLSMTSA-N 1 3 338.448 0.619 20 0 ECADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)C[C@]1(O)CCOC1 ZINC000905196140 586876112 /nfs/dbraw/zinc/87/61/12/586876112.db2.gz QGJGGNXOKFBCJZ-ZWKOTPCHSA-N 1 3 335.448 0.790 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906648083 586960991 /nfs/dbraw/zinc/96/09/91/586960991.db2.gz FAFFWBNAMQCINS-UHFFFAOYSA-N 1 3 348.447 0.701 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000906706633 586968875 /nfs/dbraw/zinc/96/88/75/586968875.db2.gz MXUDQVWIPVFDDL-OAHLLOKOSA-N 1 3 348.447 0.680 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC3([NH3+])CC3)c2)CC1 ZINC000906693166 586971328 /nfs/dbraw/zinc/97/13/28/586971328.db2.gz JEPVBTCORQIVPD-UHFFFAOYSA-N 1 3 345.447 0.375 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)CC[C@H]21 ZINC000867441853 587252759 /nfs/dbraw/zinc/25/27/59/587252759.db2.gz KNCCJWXMXFRTIO-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)CC[C@H]21 ZINC000867441853 587252760 /nfs/dbraw/zinc/25/27/60/587252760.db2.gz KNCCJWXMXFRTIO-BRWVUGGUSA-N 1 3 348.491 0.626 20 0 ECADHO C[NH+](C)CCCNC(=S)NCC(=O)NCCN1CCCCCC1 ZINC000814207307 587271626 /nfs/dbraw/zinc/27/16/26/587271626.db2.gz WJPNMDMMOUITQQ-UHFFFAOYSA-N 1 3 343.541 0.394 20 0 ECADHO CN1CCN(C[C@H](O)CNc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000819453374 587479963 /nfs/dbraw/zinc/47/99/63/587479963.db2.gz UJVBJLKMAXNTRI-QGZVFWFLSA-N 1 3 336.480 0.647 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000845023752 589128642 /nfs/dbraw/zinc/12/86/42/589128642.db2.gz VRXXLMZDYANFDP-HUUCEWRRSA-N 1 3 339.484 0.275 20 0 ECADHO CN(C)CCOc1ccc(N(C)C(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000846671991 589218033 /nfs/dbraw/zinc/21/80/33/589218033.db2.gz CLZONAOSAUIKOQ-KSSFIOAISA-N 1 3 333.432 0.826 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NN3CCCNC3=O)CC2)CC1 ZINC000847675747 589261700 /nfs/dbraw/zinc/26/17/00/589261700.db2.gz CWXHZZYRXATMNV-UHFFFAOYSA-N 1 3 337.468 0.629 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)COC)CC2)CC1 ZINC000848049870 589275423 /nfs/dbraw/zinc/27/54/23/589275423.db2.gz KADSHGUWYWKHOM-INIZCTEOSA-N 1 3 327.469 0.306 20 0 ECADHO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000852902710 589523885 /nfs/dbraw/zinc/52/38/85/589523885.db2.gz LJYOJTFCOGEYBC-QZTJIDSGSA-N 1 3 347.459 0.638 20 0 ECADHO [NH3+]C[C@H]1CC(C(=O)NCC2CCN(Cc3ccncc3)CC2)=NO1 ZINC000852903855 589524106 /nfs/dbraw/zinc/52/41/06/589524106.db2.gz IZWLOTNLPRBZMN-OAHLLOKOSA-N 1 3 331.420 0.513 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCN1CCO[C@H](C)C1 ZINC000853604619 589551314 /nfs/dbraw/zinc/55/13/14/589551314.db2.gz GOFLONYKEGWFCE-JKSUJKDBSA-N 1 3 343.516 0.278 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCN1CCO[C@H](C)C1 ZINC000853604619 589551316 /nfs/dbraw/zinc/55/13/16/589551316.db2.gz GOFLONYKEGWFCE-JKSUJKDBSA-N 1 3 343.516 0.278 20 0 ECADHO CN(CC1CN(C)C1)C(=O)/C=C/C=C\C(=O)N(C)CC1C[NH+](C)C1 ZINC000855640664 589639788 /nfs/dbraw/zinc/63/97/88/589639788.db2.gz BHXBJJUXCYQGAK-CGXWXWIYSA-N 1 3 334.464 0.139 20 0 ECADHO CN(CC1C[NH+](C)C1)C(=O)/C=C/C=C\C(=O)N(C)CC1CN(C)C1 ZINC000855640664 589639789 /nfs/dbraw/zinc/63/97/89/589639789.db2.gz BHXBJJUXCYQGAK-CGXWXWIYSA-N 1 3 334.464 0.139 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCC1(C)C ZINC000867741208 589833470 /nfs/dbraw/zinc/83/34/70/589833470.db2.gz WIWPXFDSWNQQCS-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCC1(C)C ZINC000867741208 589833471 /nfs/dbraw/zinc/83/34/71/589833471.db2.gz WIWPXFDSWNQQCS-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000861749655 589886643 /nfs/dbraw/zinc/88/66/43/589886643.db2.gz GDOLIYWBRCFCMQ-CYBMUJFWSA-N 1 3 336.436 0.049 20 0 ECADHO C[NH+]1CCC2(CCN(C(=O)C(=O)N3CC4CC3(CN)C4)CC2)CC1 ZINC000868394496 589901017 /nfs/dbraw/zinc/90/10/17/589901017.db2.gz UHEWIIGRSJYCLD-UHFFFAOYSA-N 1 3 334.464 0.271 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(C[NH+](C)C)C1 ZINC000868631213 589917898 /nfs/dbraw/zinc/91/78/98/589917898.db2.gz POKGQUGTGYMIAJ-ZDUSSCGKSA-N 1 3 328.457 0.461 20 0 ECADHO COC(=O)CCCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863547116 590021822 /nfs/dbraw/zinc/02/18/22/590021822.db2.gz IHPDLNXPPXQEMQ-KGLIPLIRSA-N 1 3 325.409 0.587 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875142795 590275477 /nfs/dbraw/zinc/27/54/77/590275477.db2.gz RKPHTUPRCMHQNM-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875142795 590275479 /nfs/dbraw/zinc/27/54/79/590275479.db2.gz RKPHTUPRCMHQNM-GJZGRUSLSA-N 1 3 326.485 0.863 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC[C@@H]21 ZINC000875179051 590278916 /nfs/dbraw/zinc/27/89/16/590278916.db2.gz ZHTFKVDHVKNRRK-OAGGEKHMSA-N 1 3 334.464 0.140 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC[C@@H]21 ZINC000875179051 590278918 /nfs/dbraw/zinc/27/89/18/590278918.db2.gz ZHTFKVDHVKNRRK-OAGGEKHMSA-N 1 3 334.464 0.140 20 0 ECADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752715 590408678 /nfs/dbraw/zinc/40/86/78/590408678.db2.gz XFEPLAMEMYYGTQ-IMXYCLITSA-N 1 3 334.464 0.165 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876752759 590409566 /nfs/dbraw/zinc/40/95/66/590409566.db2.gz YCYLBTGJGXONTG-QAPCUYQASA-N 1 3 336.480 0.531 20 0 ECADHO NS(=O)(=O)c1cccc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000877040231 590435825 /nfs/dbraw/zinc/43/58/25/590435825.db2.gz BJOAHEBROIQFIG-OAHLLOKOSA-N 1 3 341.477 0.661 20 0 ECADHO NS(=O)(=O)c1cccc(CNCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000877040231 590435826 /nfs/dbraw/zinc/43/58/26/590435826.db2.gz BJOAHEBROIQFIG-OAHLLOKOSA-N 1 3 341.477 0.661 20 0 ECADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000877205950 590444861 /nfs/dbraw/zinc/44/48/61/590444861.db2.gz BITLDVZPHLFWPH-WBMJQRKESA-N 1 3 328.420 0.730 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)C[C@H]3CSCC[NH2+]3)c2)nn1 ZINC000877206847 590445301 /nfs/dbraw/zinc/44/53/01/590445301.db2.gz NBZHYEQMUMKKMU-ZDUSSCGKSA-N 1 3 346.460 0.437 20 0 ECADHO COc1ccc([C@@H]2CN(C(=O)c3c(CN)cnn3C)C[C@H]2[NH3+])cc1 ZINC000877239225 590448275 /nfs/dbraw/zinc/44/82/75/590448275.db2.gz LZCSRUSNCJEJSB-LSDHHAIUSA-N 1 3 329.404 0.454 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877249019 590449539 /nfs/dbraw/zinc/44/95/39/590449539.db2.gz GUESDDQYDHDBRF-SQNIBIBYSA-N 1 3 330.476 0.998 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877249019 590449541 /nfs/dbraw/zinc/44/95/41/590449541.db2.gz GUESDDQYDHDBRF-SQNIBIBYSA-N 1 3 330.476 0.998 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1=O ZINC000877280240 590452892 /nfs/dbraw/zinc/45/28/92/590452892.db2.gz BRVMXKVSIIDULE-VQHPVUNQSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCN1c1cc[nH+]cc1 ZINC000881632937 590462229 /nfs/dbraw/zinc/46/22/29/590462229.db2.gz RCLSBGOZBZOLBT-NVXWUHKLSA-N 1 3 329.448 0.509 20 0 ECADHO C[NH+]1CCC(NC(=O)CN2CCCN(C[C@H]3CCCO3)CC2)CC1 ZINC000877958725 590488958 /nfs/dbraw/zinc/48/89/58/590488958.db2.gz DWTQRYRXYFHSGP-QGZVFWFLSA-N 1 3 338.496 0.384 20 0 ECADHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)CC(C)(C)O)CC2)CC1 ZINC000878321524 590515655 /nfs/dbraw/zinc/51/56/55/590515655.db2.gz GUHABHBARZENTR-QGZVFWFLSA-N 1 3 327.513 0.999 20 0 ECADHO C[NH+]1CCC(NC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000878552156 590528089 /nfs/dbraw/zinc/52/80/89/590528089.db2.gz MJXQWEARJHJTSY-QGZVFWFLSA-N 1 3 338.496 0.384 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)cn1 ZINC000878847017 590546948 /nfs/dbraw/zinc/54/69/48/590546948.db2.gz OJZOATJDVMAJHO-ZDUSSCGKSA-N 1 3 338.456 0.411 20 0 ECADHO COC[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCCOC1 ZINC000883186035 590608423 /nfs/dbraw/zinc/60/84/23/590608423.db2.gz JINPYOSDCKNRJG-JYJNAYRXSA-N 1 3 327.469 0.605 20 0 ECADHO COC[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCCOC1 ZINC000883186035 590608425 /nfs/dbraw/zinc/60/84/25/590608425.db2.gz JINPYOSDCKNRJG-JYJNAYRXSA-N 1 3 327.469 0.605 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884875305 590638845 /nfs/dbraw/zinc/63/88/45/590638845.db2.gz ATYGOYLLCKXLHM-KGLIPLIRSA-N 1 3 338.496 0.870 20 0 ECADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000883657943 590644965 /nfs/dbraw/zinc/64/49/65/590644965.db2.gz OZHLDKPNCOOIBQ-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO CO[C@H]1COCC[C@@H]1N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000883770459 590663806 /nfs/dbraw/zinc/66/38/06/590663806.db2.gz REHRFNXRPSKXBG-JYJNAYRXSA-N 1 3 344.500 0.704 20 0 ECADHO CO[C@H]1COCC[C@@H]1N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000883770459 590663809 /nfs/dbraw/zinc/66/38/09/590663809.db2.gz REHRFNXRPSKXBG-JYJNAYRXSA-N 1 3 344.500 0.704 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885285769 590704240 /nfs/dbraw/zinc/70/42/40/590704240.db2.gz SWHTUMPOMGNFEK-GFCCVEGCSA-N 1 3 334.411 0.146 20 0 ECADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000884211034 590777065 /nfs/dbraw/zinc/77/70/65/590777065.db2.gz QXHAJPMQTGYMMN-MRXNPFEDSA-N 1 3 338.496 0.763 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000884490864 590842250 /nfs/dbraw/zinc/84/22/50/590842250.db2.gz IQCRYHUIUAIWNZ-HUUCEWRRSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000884597719 590866392 /nfs/dbraw/zinc/86/63/92/590866392.db2.gz IDBOORXSELKIDM-HRCADAONSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884601346 590867479 /nfs/dbraw/zinc/86/74/79/590867479.db2.gz IILQUXSUDCDADS-UONOGXRCSA-N 1 3 326.485 0.727 20 0 ECADHO CN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(CN)CCCCC1 ZINC000884626201 590875531 /nfs/dbraw/zinc/87/55/31/590875531.db2.gz DIHPOFJILYVFMM-HUUCEWRRSA-N 1 3 336.480 0.849 20 0 ECADHO CN(C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(CN)CCCCC1 ZINC000884626201 590875534 /nfs/dbraw/zinc/87/55/34/590875534.db2.gz DIHPOFJILYVFMM-HUUCEWRRSA-N 1 3 336.480 0.849 20 0 ECADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000884631730 590878507 /nfs/dbraw/zinc/87/85/07/590878507.db2.gz VMLVSMNMCMXXND-LSDHHAIUSA-N 1 3 336.480 0.481 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000884632518 590879511 /nfs/dbraw/zinc/87/95/11/590879511.db2.gz PCCLZWGMPMSIKD-ZFWWWQNUSA-N 1 3 345.447 0.362 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCNCCC12CCC2)C(C)C ZINC000884669038 590887038 /nfs/dbraw/zinc/88/70/38/590887038.db2.gz KDRJKNSREQWZEP-UHFFFAOYSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000884685215 590893432 /nfs/dbraw/zinc/89/34/32/590893432.db2.gz BONZUEYPUXPSGY-ILXRZTDVSA-N 1 3 345.447 0.505 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884702783 590901819 /nfs/dbraw/zinc/90/18/19/590901819.db2.gz KUPVCQGBSCHXFF-HIFRSBDPSA-N 1 3 333.436 0.218 20 0 ECADHO CCC1(N2CCC2)CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000886894576 590903465 /nfs/dbraw/zinc/90/34/65/590903465.db2.gz XXTOGOWCICZKJI-UHFFFAOYSA-N 1 3 344.525 0.865 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884720124 590908330 /nfs/dbraw/zinc/90/83/30/590908330.db2.gz GRRSQFFZAAJLHZ-XOYHFGRZSA-N 1 3 326.485 0.999 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000884776672 590920233 /nfs/dbraw/zinc/92/02/33/590920233.db2.gz XRKUKVNZXZGOJS-CABCVRRESA-N 1 3 336.480 0.849 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000884776296 590920357 /nfs/dbraw/zinc/92/03/57/590920357.db2.gz QVPSUIRFGJPECV-VGWMRTNUSA-N 1 3 336.480 0.753 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884785655 590922644 /nfs/dbraw/zinc/92/26/44/590922644.db2.gz BRLUMPVYFCAIHW-XHSDSOJGSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884786860 590923156 /nfs/dbraw/zinc/92/31/56/590923156.db2.gz XSAGAXHRSUUSNX-BZUAXINKSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C1 ZINC000887091247 590942284 /nfs/dbraw/zinc/94/22/84/590942284.db2.gz FTZGWSOTNPDDDL-ILXRZTDVSA-N 1 3 345.447 0.314 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887923223 591020806 /nfs/dbraw/zinc/02/08/06/591020806.db2.gz ROYHDFVQFYEPBC-DOTOQJQBSA-N 1 3 327.469 0.381 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887923223 591020808 /nfs/dbraw/zinc/02/08/08/591020808.db2.gz ROYHDFVQFYEPBC-DOTOQJQBSA-N 1 3 327.469 0.381 20 0 ECADHO CN(CCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1cc[nH+]cc1 ZINC000889760205 591085616 /nfs/dbraw/zinc/08/56/16/591085616.db2.gz CKSMGNQDNRHMFH-IRXDYDNUSA-N 1 3 332.448 0.966 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000929922722 611367719 /nfs/dbraw/zinc/36/77/19/611367719.db2.gz KKPMNPVLVNZILL-IXDOHACOSA-N 1 3 338.496 0.959 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000929922722 611367720 /nfs/dbraw/zinc/36/77/20/611367720.db2.gz KKPMNPVLVNZILL-IXDOHACOSA-N 1 3 338.496 0.959 20 0 ECADHO C[NH+]1CCC2(CCN2C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000930957700 611489076 /nfs/dbraw/zinc/48/90/76/611489076.db2.gz NCDAWZYKTIDTFE-JKSUJKDBSA-N 1 3 348.491 0.816 20 0 ECADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000926327317 611535465 /nfs/dbraw/zinc/53/54/65/611535465.db2.gz UVAKNYMMRSVOSJ-OAHLLOKOSA-N 1 3 336.480 0.661 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926335130 611536696 /nfs/dbraw/zinc/53/66/96/611536696.db2.gz QDWZZFCJQRINPT-MAUKXSAKSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C2)C1 ZINC000927635651 611622700 /nfs/dbraw/zinc/62/27/00/611622700.db2.gz UBLPDQKFBZBCJO-FUHWJXTLSA-N 1 3 336.480 0.977 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C2)C1 ZINC000927635651 611622702 /nfs/dbraw/zinc/62/27/02/611622702.db2.gz UBLPDQKFBZBCJO-FUHWJXTLSA-N 1 3 336.480 0.977 20 0 ECADHO CCO[C@@H](CNC(=O)C(=O)N1CCCN(C(C)C)CC1)C[NH+](C)C ZINC000932471020 611632193 /nfs/dbraw/zinc/63/21/93/611632193.db2.gz DJFXCWIIDWZADG-HNNXBMFYSA-N 1 3 342.484 0.012 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933843739 608776414 /nfs/dbraw/zinc/77/64/14/608776414.db2.gz BXKZVEIRHGJVLY-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(Cc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000924463012 608868677 /nfs/dbraw/zinc/86/86/77/608868677.db2.gz IRZJTPMVVCGCFV-HNNXBMFYSA-N 1 3 334.420 0.609 20 0 ECADHO C[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000909322222 609082273 /nfs/dbraw/zinc/08/22/73/609082273.db2.gz DFIZSIHKZLSESO-BZUAXINKSA-N 1 3 338.496 0.966 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000937976990 609429267 /nfs/dbraw/zinc/42/92/67/609429267.db2.gz YYYPRGWCDBYTOA-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000937976990 609429269 /nfs/dbraw/zinc/42/92/69/609429269.db2.gz YYYPRGWCDBYTOA-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO CN1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000900192187 609526827 /nfs/dbraw/zinc/52/68/27/609526827.db2.gz LJOAWMJRLBZWPU-IEBWSBKVSA-N 1 3 346.475 0.828 20 0 ECADHO CN1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000900192187 609526829 /nfs/dbraw/zinc/52/68/29/609526829.db2.gz LJOAWMJRLBZWPU-IEBWSBKVSA-N 1 3 346.475 0.828 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000907734415 609617893 /nfs/dbraw/zinc/61/78/93/609617893.db2.gz WYXBRJNJYFUSHR-KBXIAJHMSA-N 1 3 326.485 0.820 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000938307170 609662453 /nfs/dbraw/zinc/66/24/53/609662453.db2.gz QEBIEBUNGUSKQP-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CN(CC(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC000938308378 609689336 /nfs/dbraw/zinc/68/93/36/609689336.db2.gz GONZKONSWITXRX-HNNXBMFYSA-N 1 3 348.491 0.816 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)Cc1ccccc1 ZINC000910963633 609783680 /nfs/dbraw/zinc/78/36/80/609783680.db2.gz SQMRKGDISOLYIJ-JKSUJKDBSA-N 1 3 346.475 0.390 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)Cc1ccccc1 ZINC000910963688 609783839 /nfs/dbraw/zinc/78/38/39/609783839.db2.gz UAEJURPNXHYZKY-IAGOWNOFSA-N 1 3 346.475 0.473 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000910973562 609786335 /nfs/dbraw/zinc/78/63/35/609786335.db2.gz VMQCDTVDSGIVBF-WCXIOVBPSA-N 1 3 344.459 0.285 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000910973556 609786445 /nfs/dbraw/zinc/78/64/45/609786445.db2.gz VMQCDTVDSGIVBF-LTIDMASMSA-N 1 3 344.459 0.285 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911027951 609791722 /nfs/dbraw/zinc/79/17/22/609791722.db2.gz GCADWSYKMFHUIB-IIDMSEBBSA-N 1 3 336.480 0.578 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1)C1CC1 ZINC000911053171 609795355 /nfs/dbraw/zinc/79/53/55/609795355.db2.gz NFMUNWVPSULVAY-OAHLLOKOSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911223267 609828906 /nfs/dbraw/zinc/82/89/06/609828906.db2.gz NEEDYLSHRWTWCQ-YJBOKZPZSA-N 1 3 334.464 0.332 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911223264 609829088 /nfs/dbraw/zinc/82/90/88/609829088.db2.gz NEEDYLSHRWTWCQ-CRAIPNDOSA-N 1 3 334.464 0.332 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[C@@H]1C[NH3+] ZINC000911324743 609847711 /nfs/dbraw/zinc/84/77/11/609847711.db2.gz KPPOVZNCVLKSOA-FPCVCCKLSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C[C@H]1CC[NH3+] ZINC000911324477 609847730 /nfs/dbraw/zinc/84/77/30/609847730.db2.gz DFXKZLKQTMASPF-LVQVYYBASA-N 1 3 336.480 0.563 20 0 ECADHO C[NH+](C)C1(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)CCOCC1 ZINC000914112428 609854481 /nfs/dbraw/zinc/85/44/81/609854481.db2.gz 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CN(CCO)CCN(C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000912606755 609977738 /nfs/dbraw/zinc/97/77/38/609977738.db2.gz XAUGRXSQQXEGER-SFHVURJKSA-N 1 3 335.448 0.006 20 0 ECADHO CN(CCO)CCN(C)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000912606755 609977742 /nfs/dbraw/zinc/97/77/42/609977742.db2.gz XAUGRXSQQXEGER-SFHVURJKSA-N 1 3 335.448 0.006 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908383 610168644 /nfs/dbraw/zinc/16/86/44/610168644.db2.gz NXRJOHDOZWESJT-AWEZNQCLSA-N 1 3 331.420 0.107 20 0 ECADHO Cc1ncc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)cn1 ZINC000939550493 610236730 /nfs/dbraw/zinc/23/67/30/610236730.db2.gz LBXWCVFDSMHDGV-CZUORRHYSA-N 1 3 329.448 0.817 20 0 ECADHO CN(CC(=O)N1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CCC1 ZINC000940616992 610319839 /nfs/dbraw/zinc/31/98/39/610319839.db2.gz OAZAKKWEUTWNJG-WBVHZDCISA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)[NH+](C)C ZINC000942432350 610456863 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Cc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C[NH3+])c1 ZINC001164738339 720742264 /nfs/dbraw/zinc/74/22/64/720742264.db2.gz FUNWBMVQMZFPED-HZPDHXFCSA-N 1 3 340.431 0.981 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2cnnn2C)CC[N@@H+]1C ZINC001024967571 738440009 /nfs/dbraw/zinc/44/00/09/738440009.db2.gz WOSZKURJWCUAEX-IIAWOOMASA-N 1 3 334.468 0.626 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2cnnn2C)CC[N@H+]1C ZINC001024967571 738440010 /nfs/dbraw/zinc/44/00/10/738440010.db2.gz WOSZKURJWCUAEX-IIAWOOMASA-N 1 3 334.468 0.626 20 0 ECADHO O=C(CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1)N1CCCC1 ZINC000969451072 731899378 /nfs/dbraw/zinc/89/93/78/731899378.db2.gz HVTNVVHAIJWQOT-SJLPKXTDSA-N 1 3 348.491 0.674 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000969595395 731993050 /nfs/dbraw/zinc/99/30/50/731993050.db2.gz YSPDITJPQBBNSQ-RBSFLKMASA-N 1 3 336.480 0.671 20 0 ECADHO CN(C)[C@H](C(=O)NCC1([NH2+]CCOCCO)CCCCC1)C1CC1 ZINC001115573849 732056022 /nfs/dbraw/zinc/05/60/22/732056022.db2.gz VZBOYMZXFOSPPG-INIZCTEOSA-N 1 3 341.496 0.744 20 0 ECADHO C[C@@H](NC(=O)c1ccn2cncc2c1)C1C[NH+](CCn2cncn2)C1 ZINC000970058329 732697620 /nfs/dbraw/zinc/69/76/20/732697620.db2.gz HTHCRLPVAVBEIG-CYBMUJFWSA-N 1 3 339.403 0.676 20 0 ECADHO C[C@@H](CCNC(=O)CCC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001078084777 782277483 /nfs/dbraw/zinc/27/74/83/782277483.db2.gz IEFXXRHHUPECMH-CABCVRRESA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H](CCNC(=O)CCC[NH+](C)C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001078085157 782278641 /nfs/dbraw/zinc/27/86/41/782278641.db2.gz YMDDMMWECQDJFU-XJKSGUPXSA-N 1 3 326.485 0.679 20 0 ECADHO Cc1nc(CNC[C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001025138246 738708071 /nfs/dbraw/zinc/70/80/71/738708071.db2.gz LOQYZZPCXAQARA-HUUCEWRRSA-N 1 3 334.468 0.926 20 0 ECADHO Cc1nc(CNC[C@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001025138246 738708074 /nfs/dbraw/zinc/70/80/74/738708074.db2.gz LOQYZZPCXAQARA-HUUCEWRRSA-N 1 3 334.468 0.926 20 0 ECADHO Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CN2CCOCC2)C1 ZINC000970726987 733877717 /nfs/dbraw/zinc/87/77/17/733877717.db2.gz CHRWEQWBPWBJMQ-UKRRQHHQSA-N 1 3 336.436 0.642 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001211286842 734250465 /nfs/dbraw/zinc/25/04/65/734250465.db2.gz XZUXFHCNCJEAHJ-CQSZACIVSA-N 1 3 333.498 0.342 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)NCC(C)C)CC1 ZINC001167480488 734821502 /nfs/dbraw/zinc/82/15/02/734821502.db2.gz HOWUUVVRLUVEEW-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971779469 735049734 /nfs/dbraw/zinc/04/97/34/735049734.db2.gz RUKUJIDVBNCWBS-INIZCTEOSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)CC[N@@H+]1C ZINC000972177163 735757281 /nfs/dbraw/zinc/75/72/81/735757281.db2.gz OOMNJJAHVULUJN-HRCADAONSA-N 1 3 334.468 0.541 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)CC[N@H+]1C ZINC000972177163 735757284 /nfs/dbraw/zinc/75/72/84/735757284.db2.gz OOMNJJAHVULUJN-HRCADAONSA-N 1 3 334.468 0.541 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](CCO)CCC[C@@H](C)O)CC1 ZINC001098572542 736279101 /nfs/dbraw/zinc/27/91/01/736279101.db2.gz NNHPUQFYLOVQPS-MRXNPFEDSA-N 1 3 343.512 0.773 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC([N@H+](CCO)CCC[C@@H](C)O)CC1 ZINC001098572542 736279102 /nfs/dbraw/zinc/27/91/02/736279102.db2.gz NNHPUQFYLOVQPS-MRXNPFEDSA-N 1 3 343.512 0.773 20 0 ECADHO CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnccc3N(C)C)C2)nn1 ZINC001022984834 736358483 /nfs/dbraw/zinc/35/84/83/736358483.db2.gz RYMXFWUKJLFLIJ-BETUJISGSA-N 1 3 343.435 0.810 20 0 ECADHO O=C(NC[C@H]1CCCN(CCn2cncn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001023371570 736750566 /nfs/dbraw/zinc/75/05/66/736750566.db2.gz BRNLVPSIWHYDOO-NVXWUHKLSA-N 1 3 346.479 0.448 20 0 ECADHO C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001087245809 737079375 /nfs/dbraw/zinc/07/93/75/737079375.db2.gz LRCRDWIEAQSOLJ-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001067462004 737198656 /nfs/dbraw/zinc/19/86/56/737198656.db2.gz XEDVFQQECZGYAX-HUUCEWRRSA-N 1 3 326.485 0.585 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001067462004 737198659 /nfs/dbraw/zinc/19/86/59/737198659.db2.gz XEDVFQQECZGYAX-HUUCEWRRSA-N 1 3 326.485 0.585 20 0 ECADHO O=C(NC[C@H]1CCCN([C@@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703819 737214323 /nfs/dbraw/zinc/21/43/23/737214323.db2.gz VWILTZXQVXWAPJ-HUUCEWRRSA-N 1 3 334.464 0.189 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC000972741819 737583977 /nfs/dbraw/zinc/58/39/77/737583977.db2.gz FGWQBTWIWPOSPX-CJNGLKHVSA-N 1 3 345.447 0.525 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC000972741819 737583980 /nfs/dbraw/zinc/58/39/80/737583980.db2.gz FGWQBTWIWPOSPX-CJNGLKHVSA-N 1 3 345.447 0.525 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNCc3cn(C)nn3)C2)C1 ZINC001024156493 737783504 /nfs/dbraw/zinc/78/35/04/737783504.db2.gz OWRLPOUPZHEAJG-HUUCEWRRSA-N 1 3 334.468 0.485 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNCc3cn(C)nn3)C2)C1 ZINC001024156493 737783510 /nfs/dbraw/zinc/78/35/10/737783510.db2.gz OWRLPOUPZHEAJG-HUUCEWRRSA-N 1 3 334.468 0.485 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001024157290 737788372 /nfs/dbraw/zinc/78/83/72/737788372.db2.gz YVFVIDQNWGBWMU-HOTGVXAUSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001024157290 737788374 /nfs/dbraw/zinc/78/83/74/737788374.db2.gz YVFVIDQNWGBWMU-HOTGVXAUSA-N 1 3 348.495 0.968 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001024178542 737800286 /nfs/dbraw/zinc/80/02/86/737800286.db2.gz ALVXTWJVOFMSBD-UKRRQHHQSA-N 1 3 343.435 0.559 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001024236343 737843522 /nfs/dbraw/zinc/84/35/22/737843522.db2.gz JWVQNPGJDQSWCO-CABCVRRESA-N 1 3 334.468 0.783 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001024236343 737843525 /nfs/dbraw/zinc/84/35/25/737843525.db2.gz JWVQNPGJDQSWCO-CABCVRRESA-N 1 3 334.468 0.783 20 0 ECADHO O=C(NC[C@H]1CCCCN1CCn1cccn1)C12CC[NH+](CC1)C2 ZINC001024762264 738275102 /nfs/dbraw/zinc/27/51/02/738275102.db2.gz OXHQVHCBNUQHKQ-MRXNPFEDSA-N 1 3 331.464 0.950 20 0 ECADHO CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCN2C(C)C)C1=O ZINC001025778805 739936819 /nfs/dbraw/zinc/93/68/19/739936819.db2.gz DBEYBHSMJIXUIT-BQJWPVKWSA-N 1 3 348.491 0.526 20 0 ECADHO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCN2C(C)C)C1=O ZINC001025778805 739936821 /nfs/dbraw/zinc/93/68/21/739936821.db2.gz DBEYBHSMJIXUIT-BQJWPVKWSA-N 1 3 348.491 0.526 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781849 739940002 /nfs/dbraw/zinc/94/00/02/739940002.db2.gz SRRRLGIFMNDYFC-WKULXVSPSA-N 1 3 343.475 0.804 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781849 739940005 /nfs/dbraw/zinc/94/00/05/739940005.db2.gz SRRRLGIFMNDYFC-WKULXVSPSA-N 1 3 343.475 0.804 20 0 ECADHO CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1=O ZINC001026043294 740335026 /nfs/dbraw/zinc/33/50/26/740335026.db2.gz JMSJUJSMBNRIKD-ZNFSNMQZSA-N 1 3 348.491 0.384 20 0 ECADHO CC(C)N1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1=O ZINC001026043294 740335031 /nfs/dbraw/zinc/33/50/31/740335031.db2.gz JMSJUJSMBNRIKD-ZNFSNMQZSA-N 1 3 348.491 0.384 20 0 ECADHO CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C)C(N)=O ZINC001104812579 740556290 /nfs/dbraw/zinc/55/62/90/740556290.db2.gz SATCEJIYTWHQBP-KFWWJZLASA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000974185031 741069026 /nfs/dbraw/zinc/06/90/26/741069026.db2.gz AKNKUAVHGMDRIU-DGXTUMSLSA-N 1 3 336.480 0.432 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000974185031 741069031 /nfs/dbraw/zinc/06/90/31/741069031.db2.gz AKNKUAVHGMDRIU-DGXTUMSLSA-N 1 3 336.480 0.432 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)[C@H]2C1 ZINC001026366818 741069895 /nfs/dbraw/zinc/06/98/95/741069895.db2.gz QSONIDYFTVJBRT-CWRNSKLLSA-N 1 3 345.447 0.401 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000974327184 741326709 /nfs/dbraw/zinc/32/67/09/741326709.db2.gz ONAIAELXTOLIEI-MELADBBJSA-N 1 3 333.436 0.366 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000974327184 741326711 /nfs/dbraw/zinc/32/67/11/741326711.db2.gz ONAIAELXTOLIEI-MELADBBJSA-N 1 3 333.436 0.366 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCn2cncn2)CC1 ZINC001026598582 741596565 /nfs/dbraw/zinc/59/65/65/741596565.db2.gz NXPLNERFDLXIRE-UHFFFAOYSA-N 1 3 331.424 0.569 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C)[NH+](C)C ZINC001078238331 782539202 /nfs/dbraw/zinc/53/92/02/782539202.db2.gz RTRILSVNJYHWKF-NUEKZKHPSA-N 1 3 340.512 0.924 20 0 ECADHO Cn1cc(CNC[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001026848311 741957134 /nfs/dbraw/zinc/95/71/34/741957134.db2.gz XYFJZDZSSCKQLM-CZUORRHYSA-N 1 3 332.452 0.095 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC001026888943 742029061 /nfs/dbraw/zinc/02/90/61/742029061.db2.gz PMYMFQINHPHCOI-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO Cn1cc(CNC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC001026988675 742263247 /nfs/dbraw/zinc/26/32/47/742263247.db2.gz MLBUYXVNPIAMMG-AWEZNQCLSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](CNCc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001027020861 742312987 /nfs/dbraw/zinc/31/29/87/742312987.db2.gz CNVJRHJCEPOPHG-KKUMJFAQSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](CNCc3cn(C)nn3)C2)CC[N@H+]1C ZINC001027020861 742312988 /nfs/dbraw/zinc/31/29/88/742312988.db2.gz CNVJRHJCEPOPHG-KKUMJFAQSA-N 1 3 334.468 0.484 20 0 ECADHO CCc1nnc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1C ZINC001027064675 742433876 /nfs/dbraw/zinc/43/38/76/742433876.db2.gz IWHPBZMXXNABKY-HUUCEWRRSA-N 1 3 348.495 0.657 20 0 ECADHO CCc1nnc(CNC[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1C ZINC001027064675 742433878 /nfs/dbraw/zinc/43/38/78/742433878.db2.gz IWHPBZMXXNABKY-HUUCEWRRSA-N 1 3 348.495 0.657 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000975291493 742694576 /nfs/dbraw/zinc/69/45/76/742694576.db2.gz HTJVEVLSOYPGKI-KGLIPLIRSA-N 1 3 333.436 0.259 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000975291493 742694578 /nfs/dbraw/zinc/69/45/78/742694578.db2.gz HTJVEVLSOYPGKI-KGLIPLIRSA-N 1 3 333.436 0.259 20 0 ECADHO Cc1cc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1C ZINC001027173482 743005541 /nfs/dbraw/zinc/00/55/41/743005541.db2.gz QIBLMMQLVBKTDC-HNNXBMFYSA-N 1 3 331.464 0.762 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000996966161 743078412 /nfs/dbraw/zinc/07/84/12/743078412.db2.gz QQVZEOMBKJUDRV-JKSUJKDBSA-N 1 3 338.496 0.774 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN(Cc3cccc(C(N)=O)c3)C2)C1 ZINC001028984968 743081917 /nfs/dbraw/zinc/08/19/17/743081917.db2.gz GTPXRMZZRUFYRG-WBVHZDCISA-N 1 3 344.459 0.675 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(Cc3cccc(C(N)=O)c3)C2)C1 ZINC001028984968 743081930 /nfs/dbraw/zinc/08/19/30/743081930.db2.gz GTPXRMZZRUFYRG-WBVHZDCISA-N 1 3 344.459 0.675 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001029003782 743160400 /nfs/dbraw/zinc/16/04/00/743160400.db2.gz PWSRMXWARAYLRF-HOTGVXAUSA-N 1 3 334.468 0.591 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001029003782 743160403 /nfs/dbraw/zinc/16/04/03/743160403.db2.gz PWSRMXWARAYLRF-HOTGVXAUSA-N 1 3 334.468 0.591 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001027234843 743248961 /nfs/dbraw/zinc/24/89/61/743248961.db2.gz GJEWZOCXZPRZTN-HOCLYGCPSA-N 1 3 334.468 0.628 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001027234843 743248967 /nfs/dbraw/zinc/24/89/67/743248967.db2.gz GJEWZOCXZPRZTN-HOCLYGCPSA-N 1 3 334.468 0.628 20 0 ECADHO CNC(=O)C[NH+]1CCC([C@@H](C)NC(=O)c2cnccc2N(C)C)CC1 ZINC000997396056 743567781 /nfs/dbraw/zinc/56/77/81/743567781.db2.gz OXPWPOQGQBNIEV-CYBMUJFWSA-N 1 3 347.463 0.724 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)C1 ZINC001020591440 751858129 /nfs/dbraw/zinc/85/81/29/751858129.db2.gz NUWZPUPBHCOEHJ-KKUMJFAQSA-N 1 3 346.479 0.734 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)n[nH]1 ZINC001020592629 751863281 /nfs/dbraw/zinc/86/32/81/751863281.db2.gz KNDBLVAPFUMDGI-SYQHCUMBSA-N 1 3 334.468 0.863 20 0 ECADHO CC(C)c1nc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)n[nH]1 ZINC001020592629 751863291 /nfs/dbraw/zinc/86/32/91/751863291.db2.gz KNDBLVAPFUMDGI-SYQHCUMBSA-N 1 3 334.468 0.863 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000998049573 743947953 /nfs/dbraw/zinc/94/79/53/743947953.db2.gz CFEZLUZJUDKNRW-CYBMUJFWSA-N 1 3 333.436 0.401 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000998049573 743947956 /nfs/dbraw/zinc/94/79/56/743947956.db2.gz CFEZLUZJUDKNRW-CYBMUJFWSA-N 1 3 333.436 0.401 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000998059984 743954437 /nfs/dbraw/zinc/95/44/37/743954437.db2.gz SAQIACIMNLMLNO-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000998059984 743954440 /nfs/dbraw/zinc/95/44/40/743954440.db2.gz SAQIACIMNLMLNO-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976668816 744202027 /nfs/dbraw/zinc/20/20/27/744202027.db2.gz XPQUBCYEZADYLH-NRKLIOEPSA-N 1 3 348.491 0.386 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976668816 744202029 /nfs/dbraw/zinc/20/20/29/744202029.db2.gz XPQUBCYEZADYLH-NRKLIOEPSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000976867737 744423422 /nfs/dbraw/zinc/42/34/22/744423422.db2.gz MACNKEZJHRHMDB-KATVLWTNSA-N 1 3 348.491 0.241 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000976867737 744423423 /nfs/dbraw/zinc/42/34/23/744423423.db2.gz MACNKEZJHRHMDB-KATVLWTNSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC001020633123 751919655 /nfs/dbraw/zinc/91/96/55/751919655.db2.gz RXBNPWRAZWSSEX-YXWQFLTLSA-N 1 3 347.463 0.788 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC001020633123 751919657 /nfs/dbraw/zinc/91/96/57/751919657.db2.gz RXBNPWRAZWSSEX-YXWQFLTLSA-N 1 3 347.463 0.788 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]32)CC[N@@H+]1C ZINC000977026739 744580002 /nfs/dbraw/zinc/58/00/02/744580002.db2.gz RJTMNCAOAYITLP-JQVOGXOBSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]32)CC[N@H+]1C ZINC000977026739 744580006 /nfs/dbraw/zinc/58/00/06/744580006.db2.gz RJTMNCAOAYITLP-JQVOGXOBSA-N 1 3 348.491 0.384 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC000999350694 744644632 /nfs/dbraw/zinc/64/46/32/744644632.db2.gz AHWAQOLWZWIHAR-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC000999363796 744655361 /nfs/dbraw/zinc/65/53/61/744655361.db2.gz KELXPINGIXBLDG-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@H]32)C1 ZINC000977206386 744766743 /nfs/dbraw/zinc/76/67/43/744766743.db2.gz DIFFCXIRYPEJAY-XHWCBRGXSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@H]32)C1 ZINC000977206386 744766745 /nfs/dbraw/zinc/76/67/45/744766745.db2.gz DIFFCXIRYPEJAY-XHWCBRGXSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21 ZINC000977198066 744773066 /nfs/dbraw/zinc/77/30/66/744773066.db2.gz XTKTXPVKOXSOMA-LCEIHVTHSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21 ZINC000977198066 744773070 /nfs/dbraw/zinc/77/30/70/744773070.db2.gz XTKTXPVKOXSOMA-LCEIHVTHSA-N 1 3 348.491 0.528 20 0 ECADHO O=C(CN[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)N1CCCC1 ZINC000999597053 744781773 /nfs/dbraw/zinc/78/17/73/744781773.db2.gz OMMSTCSZKPPVFC-INIZCTEOSA-N 1 3 348.491 0.818 20 0 ECADHO CC1CCN(CC(=O)N(C)C2CC([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC000999598371 744782702 /nfs/dbraw/zinc/78/27/02/744782702.db2.gz MWMCAFHSWCNOIZ-GPANFISMSA-N 1 3 336.480 0.576 20 0 ECADHO COc1coc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC000999833360 744928581 /nfs/dbraw/zinc/92/85/81/744928581.db2.gz WQFHWZFWOIVZNC-IYXRBSQSSA-N 1 3 349.431 0.679 20 0 ECADHO COc1coc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000999833360 744928585 /nfs/dbraw/zinc/92/85/85/744928585.db2.gz WQFHWZFWOIVZNC-IYXRBSQSSA-N 1 3 349.431 0.679 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999852557 744946817 /nfs/dbraw/zinc/94/68/17/744946817.db2.gz OWSMDYQEBPPJID-GDBMZVCRSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999852557 744946819 /nfs/dbraw/zinc/94/68/19/744946819.db2.gz OWSMDYQEBPPJID-GDBMZVCRSA-N 1 3 336.480 0.671 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000999895478 745027502 /nfs/dbraw/zinc/02/75/02/745027502.db2.gz CLWCCHSHOIWQCB-AWEZNQCLSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000999895478 745027507 /nfs/dbraw/zinc/02/75/07/745027507.db2.gz CLWCCHSHOIWQCB-AWEZNQCLSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001029145971 745165211 /nfs/dbraw/zinc/16/52/11/745165211.db2.gz GCJGAYJLPIGPLW-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001029145971 745165213 /nfs/dbraw/zinc/16/52/13/745165213.db2.gz GCJGAYJLPIGPLW-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCCNC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150835 745172904 /nfs/dbraw/zinc/17/29/04/745172904.db2.gz UQQOPIRAVNHSAD-SWLSCSKDSA-N 1 3 333.436 0.448 20 0 ECADHO C[C@H]([NH2+][C@H]1CCCNC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150836 745173132 /nfs/dbraw/zinc/17/31/32/745173132.db2.gz UQQOPIRAVNHSAD-WFASDCNBSA-N 1 3 333.436 0.448 20 0 ECADHO C[C@@H]([NH2+][C@@H]1CCCNC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029174600 745220315 /nfs/dbraw/zinc/22/03/15/745220315.db2.gz ZIPGXALOURTMEJ-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000978067053 745850760 /nfs/dbraw/zinc/85/07/60/745850760.db2.gz LGSVMEQLMMGSKM-HOTGVXAUSA-N 1 3 348.491 0.482 20 0 ECADHO COc1ncc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001000917147 745896412 /nfs/dbraw/zinc/89/64/12/745896412.db2.gz KEARBZTVUJCLFY-ZBFHGGJFSA-N 1 3 347.463 0.826 20 0 ECADHO COc1ncc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001000917147 745896416 /nfs/dbraw/zinc/89/64/16/745896416.db2.gz KEARBZTVUJCLFY-ZBFHGGJFSA-N 1 3 347.463 0.826 20 0 ECADHO COC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978240 745947602 /nfs/dbraw/zinc/94/76/02/745947602.db2.gz TYKZABLLLWMRCM-JGWYNZBZSA-N 1 3 349.475 0.633 20 0 ECADHO COC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978240 745947604 /nfs/dbraw/zinc/94/76/04/745947604.db2.gz TYKZABLLLWMRCM-JGWYNZBZSA-N 1 3 349.475 0.633 20 0 ECADHO COC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978235 745947660 /nfs/dbraw/zinc/94/76/60/745947660.db2.gz TYKZABLLLWMRCM-BBPFYFEFSA-N 1 3 349.475 0.633 20 0 ECADHO COC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000978235 745947662 /nfs/dbraw/zinc/94/76/62/745947662.db2.gz TYKZABLLLWMRCM-BBPFYFEFSA-N 1 3 349.475 0.633 20 0 ECADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001000988268 745954230 /nfs/dbraw/zinc/95/42/30/745954230.db2.gz MNXNIWDHZUXBED-CZUORRHYSA-N 1 3 332.448 0.816 20 0 ECADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001000988271 745954421 /nfs/dbraw/zinc/95/44/21/745954421.db2.gz MNXNIWDHZUXBED-XJKSGUPXSA-N 1 3 332.448 0.816 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978178732 745997620 /nfs/dbraw/zinc/99/76/20/745997620.db2.gz JNWPPNICSYZGLZ-FGTAOJJYSA-N 1 3 345.491 0.863 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978178732 745997622 /nfs/dbraw/zinc/99/76/22/745997622.db2.gz JNWPPNICSYZGLZ-FGTAOJJYSA-N 1 3 345.491 0.863 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001758479 746694838 /nfs/dbraw/zinc/69/48/38/746694838.db2.gz FPZBCQQTDUNSHJ-BPUTZDHNSA-N 1 3 338.496 0.809 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001758479 746694840 /nfs/dbraw/zinc/69/48/40/746694840.db2.gz FPZBCQQTDUNSHJ-BPUTZDHNSA-N 1 3 338.496 0.809 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001001903438 746795938 /nfs/dbraw/zinc/79/59/38/746795938.db2.gz BGZIXHGRCXEOKO-SJORKVTESA-N 1 3 348.491 0.531 20 0 ECADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001001903438 746795940 /nfs/dbraw/zinc/79/59/40/746795940.db2.gz BGZIXHGRCXEOKO-SJORKVTESA-N 1 3 348.491 0.531 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984708456 746857816 /nfs/dbraw/zinc/85/78/16/746857816.db2.gz ZMWIWXLQZJSMGR-GOEBONIOSA-N 1 3 347.463 0.743 20 0 ECADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984708456 746857823 /nfs/dbraw/zinc/85/78/23/746857823.db2.gz ZMWIWXLQZJSMGR-GOEBONIOSA-N 1 3 347.463 0.743 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001001997622 746874301 /nfs/dbraw/zinc/87/43/01/746874301.db2.gz ATGIYARNCLMJMN-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001001997622 746874308 /nfs/dbraw/zinc/87/43/08/746874308.db2.gz ATGIYARNCLMJMN-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(NCC1CCN([C@H]2CCCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001002042714 746916994 /nfs/dbraw/zinc/91/69/94/746916994.db2.gz HFRNAZIYOOJRMF-HNNXBMFYSA-N 1 3 334.464 0.189 20 0 ECADHO CN1CCC[C@H](N2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001002043300 746918033 /nfs/dbraw/zinc/91/80/33/746918033.db2.gz NEVIDAWLJNREQN-INIZCTEOSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)C1(C(=O)N2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CCC1 ZINC001002084667 746962284 /nfs/dbraw/zinc/96/22/84/746962284.db2.gz SVSPBDGJHVWRMP-INIZCTEOSA-N 1 3 348.491 0.387 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1C ZINC000984807203 746962995 /nfs/dbraw/zinc/96/29/95/746962995.db2.gz GSTLMPJLHJJNGQ-QEWYBTABSA-N 1 3 333.480 0.911 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1C ZINC000984807203 746963001 /nfs/dbraw/zinc/96/30/01/746963001.db2.gz GSTLMPJLHJJNGQ-QEWYBTABSA-N 1 3 333.480 0.911 20 0 ECADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000984807104 746963135 /nfs/dbraw/zinc/96/31/35/746963135.db2.gz CYWOLSCHLCFLBT-DTZQCDIJSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000984807104 746963140 /nfs/dbraw/zinc/96/31/40/746963140.db2.gz CYWOLSCHLCFLBT-DTZQCDIJSA-N 1 3 331.464 0.967 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC001002242718 747119356 /nfs/dbraw/zinc/11/93/56/747119356.db2.gz MDZSWTSDZYZZLB-SQWLQELKSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC001002242718 747119361 /nfs/dbraw/zinc/11/93/61/747119361.db2.gz MDZSWTSDZYZZLB-SQWLQELKSA-N 1 3 336.480 0.386 20 0 ECADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000985040325 747294771 /nfs/dbraw/zinc/29/47/71/747294771.db2.gz MTTFCTFQVDWWBV-CTYIDZIISA-N 1 3 345.447 0.565 20 0 ECADHO C[C@@H]([NH2+]CC1CCOCC1)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC000979405749 747752571 /nfs/dbraw/zinc/75/25/71/747752571.db2.gz NZABMDYSWLDTPP-CZUORRHYSA-N 1 3 336.436 0.584 20 0 ECADHO C[C@H](NCc1ccccn1)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979443055 747849959 /nfs/dbraw/zinc/84/99/59/747849959.db2.gz GYUXZWZRHOSSHG-RDJZCZTQSA-N 1 3 344.459 0.883 20 0 ECADHO C[C@H](NCc1ccnn1C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979449155 747857747 /nfs/dbraw/zinc/85/77/47/747857747.db2.gz MINICNBBABTSMZ-HOCLYGCPSA-N 1 3 347.463 0.221 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001002956139 748005729 /nfs/dbraw/zinc/00/57/29/748005729.db2.gz SMTADBDEGVYLBZ-INIZCTEOSA-N 1 3 334.468 0.733 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001002956139 748005732 /nfs/dbraw/zinc/00/57/32/748005732.db2.gz SMTADBDEGVYLBZ-INIZCTEOSA-N 1 3 334.468 0.733 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001002995166 748044030 /nfs/dbraw/zinc/04/40/30/748044030.db2.gz NHDPAFSUXAHMBV-MRXNPFEDSA-N 1 3 348.495 0.837 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001002995166 748044037 /nfs/dbraw/zinc/04/40/37/748044037.db2.gz NHDPAFSUXAHMBV-MRXNPFEDSA-N 1 3 348.495 0.837 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CCCNC1=O ZINC001029778053 748350794 /nfs/dbraw/zinc/35/07/94/748350794.db2.gz ZNESRFMOGWRNNK-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001003375021 748483240 /nfs/dbraw/zinc/48/32/40/748483240.db2.gz GVPRNDDMVYFCSK-QGZVFWFLSA-N 1 3 346.479 0.733 20 0 ECADHO CN(C)C1(C(=O)N2CCCCC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001088326031 748728271 /nfs/dbraw/zinc/72/82/71/748728271.db2.gz FBCTVQFNEFOIIL-CABCVRRESA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)CCn3cncn3)CC2)C1 ZINC000985656904 748823712 /nfs/dbraw/zinc/82/37/12/748823712.db2.gz ZSXYUZRZAXLRHQ-HNNXBMFYSA-N 1 3 334.468 0.543 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)CCn3cncn3)CC2)C1 ZINC000985656904 748823717 /nfs/dbraw/zinc/82/37/17/748823717.db2.gz ZSXYUZRZAXLRHQ-HNNXBMFYSA-N 1 3 334.468 0.543 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088367888 748923015 /nfs/dbraw/zinc/92/30/15/748923015.db2.gz WDELBASSGMGWAV-HOTGVXAUSA-N 1 3 338.496 0.955 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088367888 748923022 /nfs/dbraw/zinc/92/30/22/748923022.db2.gz WDELBASSGMGWAV-HOTGVXAUSA-N 1 3 338.496 0.955 20 0 ECADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985757292 749023125 /nfs/dbraw/zinc/02/31/25/749023125.db2.gz CSSKSSWXHGGZGW-HNNXBMFYSA-N 1 3 334.464 0.236 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001051356875 761932584 /nfs/dbraw/zinc/93/25/84/761932584.db2.gz ZRSHSYZKHXSSFR-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001004207473 749317282 /nfs/dbraw/zinc/31/72/82/749317282.db2.gz WGWAQBDEKOROFJ-GJZGRUSLSA-N 1 3 334.468 0.732 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001059678561 749396242 /nfs/dbraw/zinc/39/62/42/749396242.db2.gz VYBJKLYLNKBDQB-MRXNPFEDSA-N 1 3 348.491 0.533 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCCNC1=O ZINC001029887304 749406400 /nfs/dbraw/zinc/40/64/00/749406400.db2.gz AEXYHCPSTBIPAW-LSDHHAIUSA-N 1 3 334.464 0.141 20 0 ECADHO CCN1CC[C@H](N(C)C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001029888982 749427779 /nfs/dbraw/zinc/42/77/79/749427779.db2.gz REHJKUINNBNLGP-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004376655 749439993 /nfs/dbraw/zinc/43/99/93/749439993.db2.gz XFQIQHQZTHUVEF-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004376655 749439997 /nfs/dbraw/zinc/43/99/97/749439997.db2.gz XFQIQHQZTHUVEF-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@H+](C[C@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406126 749506825 /nfs/dbraw/zinc/50/68/25/749506825.db2.gz NLAXYJHKWUHMRW-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406126 749506829 /nfs/dbraw/zinc/50/68/29/749506829.db2.gz NLAXYJHKWUHMRW-CVEARBPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001004455488 749520703 /nfs/dbraw/zinc/52/07/03/749520703.db2.gz KHCJBKVKXCSPCD-DZGCQCFKSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001004455488 749520706 /nfs/dbraw/zinc/52/07/06/749520706.db2.gz KHCJBKVKXCSPCD-DZGCQCFKSA-N 1 3 336.480 0.243 20 0 ECADHO CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904402 749538493 /nfs/dbraw/zinc/53/84/93/749538493.db2.gz VDFGNEMNWANUJH-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904402 749538501 /nfs/dbraw/zinc/53/85/01/749538501.db2.gz VDFGNEMNWANUJH-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](N(C)CCn2cncn2)C1)[NH+]1CCCC1 ZINC000980490391 749646850 /nfs/dbraw/zinc/64/68/50/749646850.db2.gz KCIURMBAMQFIOU-IRXDYDNUSA-N 1 3 348.495 0.931 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)N2CCCC2)CC1 ZINC001167815140 749865469 /nfs/dbraw/zinc/86/54/69/749865469.db2.gz PMERTXGDGBOVRJ-UHFFFAOYSA-N 1 3 338.496 0.827 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001167835197 750471980 /nfs/dbraw/zinc/47/19/80/750471980.db2.gz GFRGLBGUTLGADH-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001075886111 750476940 /nfs/dbraw/zinc/47/69/40/750476940.db2.gz CEHIXZNOAPRSGY-NUEKZKHPSA-N 1 3 334.464 0.234 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001075886111 750476942 /nfs/dbraw/zinc/47/69/42/750476942.db2.gz CEHIXZNOAPRSGY-NUEKZKHPSA-N 1 3 334.464 0.234 20 0 ECADHO C[C@H]1[C@H](NCc2cnnn2C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987126528 750512569 /nfs/dbraw/zinc/51/25/69/750512569.db2.gz WALZJDAESJXFQI-XJKSGUPXSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@H]1[C@@H](NCc2cnnn2C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987126520 750512576 /nfs/dbraw/zinc/51/25/76/750512576.db2.gz WALZJDAESJXFQI-BBRMVZONSA-N 1 3 334.468 0.626 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059790241 750674488 /nfs/dbraw/zinc/67/44/88/750674488.db2.gz NOKVTHDMTSSLEI-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001059790241 750674492 /nfs/dbraw/zinc/67/44/92/750674492.db2.gz NOKVTHDMTSSLEI-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO CCn1cc(CN[C@H]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000981462771 750719215 /nfs/dbraw/zinc/71/92/15/750719215.db2.gz ZSUSOHNVJFRGEZ-GJZGRUSLSA-N 1 3 346.479 0.911 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C2CCN(CCn3cncn3)CC2)CC[N@@H+]1C ZINC001005883811 750758405 /nfs/dbraw/zinc/75/84/05/750758405.db2.gz ICPQUFPYHNDXCU-HOTGVXAUSA-N 1 3 348.495 0.931 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N(C)C2CCN(CCn3cncn3)CC2)CC[N@H+]1C ZINC001005883811 750758410 /nfs/dbraw/zinc/75/84/10/750758410.db2.gz ICPQUFPYHNDXCU-HOTGVXAUSA-N 1 3 348.495 0.931 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC001006062420 750978206 /nfs/dbraw/zinc/97/82/06/750978206.db2.gz ZEFDIDUDTCHTGI-AWEZNQCLSA-N 1 3 347.463 0.791 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001020927460 752347887 /nfs/dbraw/zinc/34/78/87/752347887.db2.gz LEWHPZCPPPAZAB-QEJZJMRPSA-N 1 3 333.436 0.564 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001020927460 752347893 /nfs/dbraw/zinc/34/78/93/752347893.db2.gz LEWHPZCPPPAZAB-QEJZJMRPSA-N 1 3 333.436 0.564 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020927700 752349135 /nfs/dbraw/zinc/34/91/35/752349135.db2.gz OQPSZVMOVDWEPT-TUVASFSCSA-N 1 3 334.468 0.672 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2CCCN2CCCC2=O)C1 ZINC001028317365 752369212 /nfs/dbraw/zinc/36/92/12/752369212.db2.gz AHOCDIGBKAPNAE-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2CCCN2CCCC2=O)C1 ZINC001028317365 752369224 /nfs/dbraw/zinc/36/92/24/752369224.db2.gz AHOCDIGBKAPNAE-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C)N(C)C ZINC000988775529 752783202 /nfs/dbraw/zinc/78/32/02/752783202.db2.gz MXKHFIZGNBKDIA-KBMXLJTQSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988960447 753081868 /nfs/dbraw/zinc/08/18/68/753081868.db2.gz MKZNLLVRNPVCED-HOCLYGCPSA-N 1 3 346.475 0.949 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC000989056231 753193253 /nfs/dbraw/zinc/19/32/53/753193253.db2.gz UPDXMYOMTPFZFI-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC000989056231 753193258 /nfs/dbraw/zinc/19/32/58/753193258.db2.gz UPDXMYOMTPFZFI-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)n1 ZINC000989493888 754039404 /nfs/dbraw/zinc/03/94/04/754039404.db2.gz XCIJZQJMIQAEQV-NHYWBVRUSA-N 1 3 331.424 0.440 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCCN(CCCF)C2)cn1 ZINC001008829907 754169732 /nfs/dbraw/zinc/16/97/32/754169732.db2.gz VBQJHDROHRAZHM-HNNXBMFYSA-N 1 3 325.432 0.999 20 0 ECADHO CCn1nnc(C)c1CN[C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989682715 754302043 /nfs/dbraw/zinc/30/20/43/754302043.db2.gz JOMDNKCEUJVVGY-DZGCQCFKSA-N 1 3 346.479 0.781 20 0 ECADHO C[C@@H]1C[C@H](NCC(=O)N2CCCC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989681482 754309257 /nfs/dbraw/zinc/30/92/57/754309257.db2.gz CIFBRQRPOUIYFQ-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000990278387 754934109 /nfs/dbraw/zinc/93/41/09/754934109.db2.gz QSXOBRMIOFNZAJ-ZFWWWQNUSA-N 1 3 343.493 0.096 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083473206 755591330 /nfs/dbraw/zinc/59/13/30/755591330.db2.gz OJKOWTTZMXZEKI-DZUCGIPZSA-N 1 3 339.480 0.305 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)CC[N@H+]1C ZINC001083473206 755591335 /nfs/dbraw/zinc/59/13/35/755591335.db2.gz OJKOWTTZMXZEKI-DZUCGIPZSA-N 1 3 339.480 0.305 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001030021651 755734676 /nfs/dbraw/zinc/73/46/76/755734676.db2.gz PZKHIYUZXIDLFX-PMPSAXMXSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)CN1C(=O)CN1CCCC1 ZINC001010180730 755770064 /nfs/dbraw/zinc/77/00/64/755770064.db2.gz XBVDBFAZJPGSBI-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H](CNCc2cccnc2)C1 ZINC001051615906 762481580 /nfs/dbraw/zinc/48/15/80/762481580.db2.gz DMZAWTOFRNDATN-ROUUACIJSA-N 1 3 344.459 0.740 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001076627554 756748220 /nfs/dbraw/zinc/74/82/20/756748220.db2.gz QJIJOIBKCQAWLH-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001076627554 756748224 /nfs/dbraw/zinc/74/82/24/756748224.db2.gz QJIJOIBKCQAWLH-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CN(C)C1CCC1 ZINC001076747449 756955842 /nfs/dbraw/zinc/95/58/42/756955842.db2.gz ZSYOGIHZFAMCFK-SQWLQELKSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CN(C)C1CCC1 ZINC001076747449 756955846 /nfs/dbraw/zinc/95/58/46/756955846.db2.gz ZSYOGIHZFAMCFK-SQWLQELKSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001048823609 757112541 /nfs/dbraw/zinc/11/25/41/757112541.db2.gz GETVAVRLUHQFEQ-QMCVQRASSA-N 1 3 348.491 0.195 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001011178225 757131150 /nfs/dbraw/zinc/13/11/50/757131150.db2.gz QRVKKSKWTZAWRW-WBVHZDCISA-N 1 3 348.491 0.341 20 0 ECADHO O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1C[C@H]2CN(C/C=C/Cl)C[C@H]2C1 ZINC001048834115 757141099 /nfs/dbraw/zinc/14/10/99/757141099.db2.gz ZSACJUYTYTVXBC-JHVANXJRSA-N 1 3 339.867 0.992 20 0 ECADHO O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1C[C@H]2CN(C/C=C/Cl)C[C@H]2C1 ZINC001048834115 757141100 /nfs/dbraw/zinc/14/11/00/757141100.db2.gz ZSACJUYTYTVXBC-JHVANXJRSA-N 1 3 339.867 0.992 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000996299734 757305583 /nfs/dbraw/zinc/30/55/83/757305583.db2.gz DKRKQTHQYFZBMO-HUUCEWRRSA-N 1 3 334.468 0.589 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)cc1 ZINC000996300040 757309177 /nfs/dbraw/zinc/30/91/77/757309177.db2.gz IYPPYVIQQNHTKR-INIZCTEOSA-N 1 3 346.475 0.716 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1)[NH+]1CCCC1 ZINC001011256683 757310311 /nfs/dbraw/zinc/31/03/11/757310311.db2.gz RAUYDSUNTREIGX-QGZVFWFLSA-N 1 3 347.463 0.743 20 0 ECADHO Cn1cc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)cn1 ZINC000996355891 757458759 /nfs/dbraw/zinc/45/87/59/757458759.db2.gz OLZOBSFBCWYRCP-OAHLLOKOSA-N 1 3 330.436 0.755 20 0 ECADHO CN(C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1CC[N@H+](C)C1)C2)C1CC1 ZINC001021459635 757473451 /nfs/dbraw/zinc/47/34/51/757473451.db2.gz PLGRLJDIIVBEEM-YTTRVJOFSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1CC[N@@H+](C)C1)C2)C1CC1 ZINC001021459635 757473457 /nfs/dbraw/zinc/47/34/57/757473457.db2.gz PLGRLJDIIVBEEM-YTTRVJOFSA-N 1 3 348.491 0.671 20 0 ECADHO C[NH+]1CCC(CC(=O)N2C[C@@H](N[C@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996386047 757514399 /nfs/dbraw/zinc/51/43/99/757514399.db2.gz MFSYXADRSVYLHV-LSDHHAIUSA-N 1 3 336.480 0.433 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001049006599 757672005 /nfs/dbraw/zinc/67/20/05/757672005.db2.gz CDFQJEJATQAEOT-RFBLXINOSA-N 1 3 336.480 0.371 20 0 ECADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001049006599 757672010 /nfs/dbraw/zinc/67/20/10/757672010.db2.gz CDFQJEJATQAEOT-RFBLXINOSA-N 1 3 336.480 0.371 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@@H]2C1 ZINC001049060142 757829491 /nfs/dbraw/zinc/82/94/91/757829491.db2.gz NEXYRECKDKXZLA-ZSGPHXLJSA-N 1 3 345.491 0.816 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@@H]2C1 ZINC001049060142 757829506 /nfs/dbraw/zinc/82/95/06/757829506.db2.gz NEXYRECKDKXZLA-ZSGPHXLJSA-N 1 3 345.491 0.816 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049060600 757835769 /nfs/dbraw/zinc/83/57/69/757835769.db2.gz VIGPPRGFRXBWLI-OWCLPIDISA-N 1 3 348.491 0.387 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049060600 757835783 /nfs/dbraw/zinc/83/57/83/757835783.db2.gz VIGPPRGFRXBWLI-OWCLPIDISA-N 1 3 348.491 0.387 20 0 ECADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001049100492 757957450 /nfs/dbraw/zinc/95/74/50/757957450.db2.gz JOLGXLNAWUUMKK-BMFZPTHFSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001077021388 757959966 /nfs/dbraw/zinc/95/99/66/757959966.db2.gz ZAHAKZOLLFYJKQ-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001077021388 757959969 /nfs/dbraw/zinc/95/99/69/757959969.db2.gz ZAHAKZOLLFYJKQ-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CCO[C@@H](CNCc2cncs2)C1)C1CC1 ZINC001051654408 762602455 /nfs/dbraw/zinc/60/24/55/762602455.db2.gz MQQJHGKNOHABJI-ZFWWWQNUSA-N 1 3 338.477 0.800 20 0 ECADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]C[C@H]2CCCCO2)C1)C1CCC1 ZINC001051656013 762607586 /nfs/dbraw/zinc/60/75/86/762607586.db2.gz YJSYZRBVHFMLHY-SJORKVTESA-N 1 3 339.480 0.857 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616554 758250049 /nfs/dbraw/zinc/25/00/49/758250049.db2.gz SYOMCANCSOXTHY-HOCLYGCPSA-N 1 3 348.495 0.885 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616554 758250067 /nfs/dbraw/zinc/25/00/67/758250067.db2.gz SYOMCANCSOXTHY-HOCLYGCPSA-N 1 3 348.495 0.885 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022090260 758262431 /nfs/dbraw/zinc/26/24/31/758262431.db2.gz WGCVFGXFIGFFQE-OWCLPIDISA-N 1 3 346.479 0.685 20 0 ECADHO O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077128784 758266957 /nfs/dbraw/zinc/26/69/57/758266957.db2.gz DWHOPPRCGBNGKQ-BRWVUGGUSA-N 1 3 337.464 0.201 20 0 ECADHO O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001077128784 758266966 /nfs/dbraw/zinc/26/69/66/758266966.db2.gz DWHOPPRCGBNGKQ-BRWVUGGUSA-N 1 3 337.464 0.201 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(OC)nn3)C2)CC[N@@H+]1C ZINC001022109496 758288809 /nfs/dbraw/zinc/28/88/09/758288809.db2.gz NVKOMFLRKZDTQR-XUWVNRHRSA-N 1 3 347.463 0.952 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(OC)nn3)C2)CC[N@H+]1C ZINC001022109496 758288820 /nfs/dbraw/zinc/28/88/20/758288820.db2.gz NVKOMFLRKZDTQR-XUWVNRHRSA-N 1 3 347.463 0.952 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccccn2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022121663 758307905 /nfs/dbraw/zinc/30/79/05/758307905.db2.gz IDNIKYHEDYKBCN-VVLHAWIVSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccccn2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001022121663 758307912 /nfs/dbraw/zinc/30/79/12/758307912.db2.gz IDNIKYHEDYKBCN-VVLHAWIVSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001022122729 758310210 /nfs/dbraw/zinc/31/02/10/758310210.db2.gz XTGCJVBBZUBPJO-TWMKSMIVSA-N 1 3 330.432 0.682 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049232741 758394749 /nfs/dbraw/zinc/39/47/49/758394749.db2.gz DDSCPTBJXWFENA-QXSJWSMHSA-N 1 3 334.464 0.140 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049232741 758394758 /nfs/dbraw/zinc/39/47/58/758394758.db2.gz DDSCPTBJXWFENA-QXSJWSMHSA-N 1 3 334.464 0.140 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001022360680 758623317 /nfs/dbraw/zinc/62/33/17/758623317.db2.gz FAVDLEVSRDENRG-GASCZTMLSA-N 1 3 346.479 0.972 20 0 ECADHO O=C(NCCNCc1ccc(Cl)nc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780021 758631966 /nfs/dbraw/zinc/63/19/66/758631966.db2.gz UTUICMVEJHAYCN-UONOGXRCSA-N 1 3 338.839 0.804 20 0 ECADHO O=C(NCCNCc1ccc(Cl)nc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780021 758631968 /nfs/dbraw/zinc/63/19/68/758631968.db2.gz UTUICMVEJHAYCN-UONOGXRCSA-N 1 3 338.839 0.804 20 0 ECADHO O=C(N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077300130 758743403 /nfs/dbraw/zinc/74/34/03/758743403.db2.gz ZBIHQOKENLQFGK-ARFHVFGLSA-N 1 3 337.464 0.203 20 0 ECADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671166 762655237 /nfs/dbraw/zinc/65/52/37/762655237.db2.gz DYWRVTJTUVXWFD-KGLIPLIRSA-N 1 3 335.452 0.647 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCO ZINC001049609453 758988225 /nfs/dbraw/zinc/98/82/25/758988225.db2.gz GROYXFQMZBKWBG-CBYDULDESA-N 1 3 349.475 0.297 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049609453 758988232 /nfs/dbraw/zinc/98/82/32/758988232.db2.gz GROYXFQMZBKWBG-CBYDULDESA-N 1 3 349.475 0.297 20 0 ECADHO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001022716576 759031894 /nfs/dbraw/zinc/03/18/94/759031894.db2.gz ACLLFIZDTRUPBF-OKILXGFUSA-N 1 3 334.468 0.767 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c(C)n1 ZINC001022720643 759043013 /nfs/dbraw/zinc/04/30/13/759043013.db2.gz SCSRXSPADRXXNC-DANNLKNASA-N 1 3 347.463 0.728 20 0 ECADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)c(C)n1 ZINC001022720643 759043023 /nfs/dbraw/zinc/04/30/23/759043023.db2.gz SCSRXSPADRXXNC-DANNLKNASA-N 1 3 347.463 0.728 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022720867 759043128 /nfs/dbraw/zinc/04/31/28/759043128.db2.gz SWBKQDLKKNFBCC-MHEUCROKSA-N 1 3 334.468 0.541 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022720867 759043141 /nfs/dbraw/zinc/04/31/41/759043141.db2.gz SWBKQDLKKNFBCC-MHEUCROKSA-N 1 3 334.468 0.541 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3CCO)cn1 ZINC001049783026 759200571 /nfs/dbraw/zinc/20/05/71/759200571.db2.gz SSBDKDZIUVCWNQ-JKSUJKDBSA-N 1 3 335.452 0.116 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047976218 759761696 /nfs/dbraw/zinc/76/16/96/759761696.db2.gz SHGPLONTXMGIGQ-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047976218 759761701 /nfs/dbraw/zinc/76/17/01/759761701.db2.gz SHGPLONTXMGIGQ-HUUCEWRRSA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1)OC ZINC001077582497 759895318 /nfs/dbraw/zinc/89/53/18/759895318.db2.gz JEOGUURINLYIKZ-RRFJBIMHSA-N 1 3 339.436 0.541 20 0 ECADHO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1)OC 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OXGNZGKKGIDRPE-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001050581075 760528575 /nfs/dbraw/zinc/52/85/75/760528575.db2.gz XAVYBHDDIMCINN-HNNXBMFYSA-N 1 3 348.491 0.803 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048524890 760661917 /nfs/dbraw/zinc/66/19/17/760661917.db2.gz DNWXVIZKPYOYLC-UHDSXZAQSA-N 1 3 348.491 0.705 20 0 ECADHO NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048524890 760661923 /nfs/dbraw/zinc/66/19/23/760661923.db2.gz DNWXVIZKPYOYLC-UHDSXZAQSA-N 1 3 348.491 0.705 20 0 ECADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066785 760707114 /nfs/dbraw/zinc/70/71/14/760707114.db2.gz SEGGZCUBPGZPCZ-HUUCEWRRSA-N 1 3 326.485 0.726 20 0 ECADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066785 760707122 /nfs/dbraw/zinc/70/71/22/760707122.db2.gz SEGGZCUBPGZPCZ-HUUCEWRRSA-N 1 3 326.485 0.726 20 0 ECADHO 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763373368 /nfs/dbraw/zinc/37/33/68/763373368.db2.gz MBTZJCZPAVITLC-HOTGVXAUSA-N 1 3 333.436 0.054 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](N3CCN(CC4CC4)CC3)C2)C1 ZINC001052108173 763889851 /nfs/dbraw/zinc/88/98/51/763889851.db2.gz KLVSOTVBTVAZMP-ZWKOTPCHSA-N 1 3 334.508 0.957 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](N3CCN(CC4CC4)CC3)C2)C1 ZINC001052108173 763889858 /nfs/dbraw/zinc/88/98/58/763889858.db2.gz KLVSOTVBTVAZMP-ZWKOTPCHSA-N 1 3 334.508 0.957 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)NCC2CN(CCCO)C2)[C@@H](c2ccccc2)C1 ZINC001031994203 764024899 /nfs/dbraw/zinc/02/48/99/764024899.db2.gz QEULSWFOCHOWOR-MSOLQXFVSA-N 1 3 331.460 0.762 20 0 ECADHO C[N@H+]1C[C@H](C(=O)NCC2CN(CCCO)C2)[C@@H](c2ccccc2)C1 ZINC001031994203 764024907 /nfs/dbraw/zinc/02/49/07/764024907.db2.gz QEULSWFOCHOWOR-MSOLQXFVSA-N 1 3 331.460 0.762 20 0 ECADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CN(CC2CC(F)(F)C2)C[C@@H]1O ZINC001047511627 764553892 /nfs/dbraw/zinc/55/38/92/764553892.db2.gz KWRVJJHBZHBXGL-GJZGRUSLSA-N 1 3 345.434 0.877 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001015655708 765129223 /nfs/dbraw/zinc/12/92/23/765129223.db2.gz XHGAZFNKVOLBOM-CABCVRRESA-N 1 3 332.452 0.298 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000992006996 765136348 /nfs/dbraw/zinc/13/63/48/765136348.db2.gz CIDQGPWVENECDA-HOTGVXAUSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000992006996 765136352 /nfs/dbraw/zinc/13/63/52/765136352.db2.gz CIDQGPWVENECDA-HOTGVXAUSA-N 1 3 334.464 0.426 20 0 ECADHO Cn1ccc(CN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cc1=O ZINC001015792955 765329240 /nfs/dbraw/zinc/32/92/40/765329240.db2.gz ICIHDLYRVQZBLH-KRWDZBQOSA-N 1 3 346.475 0.808 20 0 ECADHO CO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C[C@@H](C)O)CC1 ZINC001052986398 765462285 /nfs/dbraw/zinc/46/22/85/765462285.db2.gz LWVKLAFHKOXCDK-WTTBNOFXSA-N 1 3 339.480 0.542 20 0 ECADHO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)CN(C)C1CCC1 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CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060463604 767468955 /nfs/dbraw/zinc/46/89/55/767468955.db2.gz YXLVHNJOCDWQDP-CQSZACIVSA-N 1 3 335.452 0.649 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060463604 767468958 /nfs/dbraw/zinc/46/89/58/767468958.db2.gz YXLVHNJOCDWQDP-CQSZACIVSA-N 1 3 335.452 0.649 20 0 ECADHO COC[C@H](C)N1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046694902 767496230 /nfs/dbraw/zinc/49/62/30/767496230.db2.gz MKVZPNPYQXPCHM-WMLDXEAASA-N 1 3 337.468 0.674 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC001017107637 767597285 /nfs/dbraw/zinc/59/72/85/767597285.db2.gz WRRMISVPYXPTAG-BNQIPGGESA-N 1 3 333.436 0.398 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC001017107637 767597287 /nfs/dbraw/zinc/59/72/87/767597287.db2.gz WRRMISVPYXPTAG-BNQIPGGESA-N 1 3 333.436 0.398 20 0 ECADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)C1 ZINC000992822580 767638716 /nfs/dbraw/zinc/63/87/16/767638716.db2.gz WSBIDFNDTHENBS-SOUVJXGZSA-N 1 3 336.480 0.420 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001054168751 767765697 /nfs/dbraw/zinc/76/56/97/767765697.db2.gz IRFKZARBIHZOJR-BDFRZKONSA-N 1 3 349.475 0.156 20 0 ECADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054168751 767765701 /nfs/dbraw/zinc/76/57/01/767765701.db2.gz IRFKZARBIHZOJR-BDFRZKONSA-N 1 3 349.475 0.156 20 0 ECADHO CN(C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCNC1=O ZINC001017250723 767769904 /nfs/dbraw/zinc/76/99/04/767769904.db2.gz IMVOTFUODFFHJX-LSDHHAIUSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNCc1nccn1C ZINC001106591170 768472516 /nfs/dbraw/zinc/47/25/16/768472516.db2.gz QIVYXLFYBVZBRY-HUUCEWRRSA-N 1 3 333.480 0.946 20 0 ECADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106662972 768573431 /nfs/dbraw/zinc/57/34/31/768573431.db2.gz LUJZBADPKIBQCN-BZUAXINKSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001106704890 768693066 /nfs/dbraw/zinc/69/30/66/768693066.db2.gz HNMINJLTHBWQGT-HUUCEWRRSA-N 1 3 347.463 0.649 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1 ZINC001106779416 768943690 /nfs/dbraw/zinc/94/36/90/768943690.db2.gz NQZQCJUAZDLZGO-HUUCEWRRSA-N 1 3 340.512 0.927 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC001106779425 768943784 /nfs/dbraw/zinc/94/37/84/768943784.db2.gz NYUVRBISDJVVPJ-HUUCEWRRSA-N 1 3 326.485 0.537 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)[C@H](C)C1 ZINC001106782859 768949017 /nfs/dbraw/zinc/94/90/17/768949017.db2.gz AATYAAVWMMNKKJ-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000993806232 769650589 /nfs/dbraw/zinc/65/05/89/769650589.db2.gz KUJASMHLUWCBHV-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000993806232 769650594 /nfs/dbraw/zinc/65/05/94/769650594.db2.gz KUJASMHLUWCBHV-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH+](C)Cc1cccc(C(=O)NC2CN(C(=O)CN3CCCC3)C2)c1 ZINC000993844982 769742014 /nfs/dbraw/zinc/74/20/14/769742014.db2.gz WFLKJXQOKRUQDS-UHFFFAOYSA-N 1 3 344.459 0.785 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000993960605 769897387 /nfs/dbraw/zinc/89/73/87/769897387.db2.gz RUUAQRBZHLISGX-OAHLLOKOSA-N 1 3 333.436 0.542 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000993960605 769897401 /nfs/dbraw/zinc/89/74/01/769897401.db2.gz RUUAQRBZHLISGX-OAHLLOKOSA-N 1 3 333.436 0.542 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)C1 ZINC001018881129 770184368 /nfs/dbraw/zinc/18/43/68/770184368.db2.gz ZFDIQKWRNAOYFM-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)C1 ZINC001018881129 770184374 /nfs/dbraw/zinc/18/43/74/770184374.db2.gz ZFDIQKWRNAOYFM-JKSUJKDBSA-N 1 3 348.491 0.483 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1)N(C)C ZINC001019032107 770607507 /nfs/dbraw/zinc/60/75/07/770607507.db2.gz GFIKPDYEELBVMT-SOUVJXGZSA-N 1 3 338.496 0.917 20 0 ECADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001019044335 770650227 /nfs/dbraw/zinc/65/02/27/770650227.db2.gz SAEJLASSRUAANW-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001078411261 782895161 /nfs/dbraw/zinc/89/51/61/782895161.db2.gz IYMCTAFLYWYPQF-IRXDYDNUSA-N 1 3 349.479 0.467 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001019342780 771185984 /nfs/dbraw/zinc/18/59/84/771185984.db2.gz HPETUAKTCPETTD-OFQRWUPVSA-N 1 3 334.468 0.542 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC[NH+](C)C ZINC001056442142 771271461 /nfs/dbraw/zinc/27/14/61/771271461.db2.gz AJAGTPWCFBYHDQ-HZPDHXFCSA-N 1 3 338.496 0.870 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC[NH+](C)C ZINC001056487656 771325951 /nfs/dbraw/zinc/32/59/51/771325951.db2.gz CORNDDSZWXZUDO-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001019470014 771332360 /nfs/dbraw/zinc/33/23/60/771332360.db2.gz ZPTOVPMCJWXAQN-HOTGVXAUSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056549236 771374087 /nfs/dbraw/zinc/37/40/87/771374087.db2.gz XRPMOCGTLYVKKI-XHSDSOJGSA-N 1 3 338.496 0.870 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)C2)CC1 ZINC001019560375 771487262 /nfs/dbraw/zinc/48/72/62/771487262.db2.gz CJZBBQNBXJGZTI-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CC[C@@H](N[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC001019632561 771634111 /nfs/dbraw/zinc/63/41/11/771634111.db2.gz RCTNBXJJWQDVBJ-JKSUJKDBSA-N 1 3 336.480 0.563 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001019775010 771783605 /nfs/dbraw/zinc/78/36/05/771783605.db2.gz SEIIDSLTWSDKBQ-CABCVRRESA-N 1 3 343.493 0.098 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001020164903 772234460 /nfs/dbraw/zinc/23/44/60/772234460.db2.gz AQKIKUPWHLWWJW-SHTZXODSSA-N 1 3 346.435 0.792 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179005 772249988 /nfs/dbraw/zinc/24/99/88/772249988.db2.gz KVUGQIJIXPHMOQ-QBYUYEEZSA-N 1 3 348.447 0.891 20 0 ECADHO Cc1noc(C)c1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020179005 772249989 /nfs/dbraw/zinc/24/99/89/772249989.db2.gz KVUGQIJIXPHMOQ-QBYUYEEZSA-N 1 3 348.447 0.891 20 0 ECADHO C[C@@H](CCNC(=O)C[N@@H+]1CCC[C@@H]1C)NC(=O)C1(N(C)C)CCC1 ZINC001078468025 783006159 /nfs/dbraw/zinc/00/61/59/783006159.db2.gz VLFYGHSPHMKBSU-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@@H]1C)NC(=O)C1(N(C)C)CCC1 ZINC001078468025 783006162 /nfs/dbraw/zinc/00/61/62/783006162.db2.gz VLFYGHSPHMKBSU-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO COc1coc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CO[C@H](C)C3)C2)cc1=O ZINC001020316324 772437878 /nfs/dbraw/zinc/43/78/78/772437878.db2.gz KXWMSCNZDVJQGN-FDYHWXHSSA-N 1 3 336.388 0.810 20 0 ECADHO Cn1cncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020405717 772548923 /nfs/dbraw/zinc/54/89/23/772548923.db2.gz BAOPEMKLZNSOOZ-SUAGGUKUSA-N 1 3 345.447 0.020 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020407041 772550817 /nfs/dbraw/zinc/55/08/17/772550817.db2.gz LIJXIWWIHCWDQJ-GUKIMBLNSA-N 1 3 348.472 0.743 20 0 ECADHO CN1CC[C@@H]([NH+]2CCC3(CCN(C(=O)[C@@H]4CCCN4C)C3)CC2)C1=O ZINC001040640557 783159332 /nfs/dbraw/zinc/15/93/32/783159332.db2.gz CBHWKYOADHEVDH-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750063 774576029 /nfs/dbraw/zinc/57/60/29/774576029.db2.gz MNBCXBQVUQCSLV-HIFRSBDPSA-N 1 3 343.431 0.820 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001045043644 774889998 /nfs/dbraw/zinc/88/99/98/774889998.db2.gz KBAMDDRSJVAVIL-IJEWVQPXSA-N 1 3 334.468 0.719 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001045043644 774890007 /nfs/dbraw/zinc/89/00/07/774890007.db2.gz KBAMDDRSJVAVIL-IJEWVQPXSA-N 1 3 334.468 0.719 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001045200421 775127600 /nfs/dbraw/zinc/12/76/00/775127600.db2.gz XVXIZSGASIGSJW-GJZGRUSLSA-N 1 3 334.468 0.720 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001045200421 775127608 /nfs/dbraw/zinc/12/76/08/775127608.db2.gz XVXIZSGASIGSJW-GJZGRUSLSA-N 1 3 334.468 0.720 20 0 ECADHO Cc1nc([C@@H](C)NC[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001045276197 775299798 /nfs/dbraw/zinc/29/97/98/775299798.db2.gz BJDYCXMDCHZAPG-OCCSQVGLSA-N 1 3 332.452 0.851 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN(C)C1CCC1 ZINC001044629265 776542237 /nfs/dbraw/zinc/54/22/37/776542237.db2.gz KZCDHGVMUUNZDA-GJZGRUSLSA-N 1 3 334.468 0.732 20 0 ECADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079707517 776736101 /nfs/dbraw/zinc/73/61/01/776736101.db2.gz IKZDCNMHOUIDPT-FHLIZLRMSA-N 1 3 345.491 0.741 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001079816322 776929232 /nfs/dbraw/zinc/92/92/32/776929232.db2.gz AEMMIXRGQKXLJJ-KRWDZBQOSA-N 1 3 340.512 0.974 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001079816355 776930080 /nfs/dbraw/zinc/93/00/80/776930080.db2.gz BJOAXZIVICHZDR-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080558691 778030817 /nfs/dbraw/zinc/03/08/17/778030817.db2.gz ZAYSPTFFSOHXMQ-HNNXBMFYSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)C[N@H+]1CCC[C@@H]1C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080558691 778030820 /nfs/dbraw/zinc/03/08/20/778030820.db2.gz ZAYSPTFFSOHXMQ-HNNXBMFYSA-N 1 3 338.496 0.870 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001080559232 778034359 /nfs/dbraw/zinc/03/43/59/778034359.db2.gz APYTVSGVIWBSNG-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080559232 778034370 /nfs/dbraw/zinc/03/43/70/778034370.db2.gz APYTVSGVIWBSNG-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCCO2)cn1 ZINC001078508141 780046512 /nfs/dbraw/zinc/04/65/12/780046512.db2.gz LBTOEOWVQOHQKO-CVEARBPZSA-N 1 3 335.452 0.079 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCCO2)cn1 ZINC001078508141 780046518 /nfs/dbraw/zinc/04/65/18/780046518.db2.gz LBTOEOWVQOHQKO-CVEARBPZSA-N 1 3 335.452 0.079 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001077664362 781456933 /nfs/dbraw/zinc/45/69/33/781456933.db2.gz ZXWAYAFPAYCHAS-GOEBONIOSA-N 1 3 328.501 0.925 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001077678862 781492383 /nfs/dbraw/zinc/49/23/83/781492383.db2.gz ZDXPUXMHWZENOH-GXTWGEPZSA-N 1 3 335.452 0.613 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001077678862 781492390 /nfs/dbraw/zinc/49/23/90/781492390.db2.gz ZDXPUXMHWZENOH-GXTWGEPZSA-N 1 3 335.452 0.613 20 0 ECADHO CNC(=O)CN1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041447357 781536031 /nfs/dbraw/zinc/53/60/31/781536031.db2.gz YDQBOXWFRXSKFO-GOSISDBHSA-N 1 3 341.415 0.618 20 0 ECADHO CC[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037848842 783640062 /nfs/dbraw/zinc/64/00/62/783640062.db2.gz CDKCZLCFKBVBNB-LSDHHAIUSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC3CCC3)[C@@H](n3ccnn3)C2)CCC1 ZINC001070209054 783661180 /nfs/dbraw/zinc/66/11/80/783661180.db2.gz KNCLLPNITWYFME-CVEARBPZSA-N 1 3 346.479 0.904 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070284700 783789140 /nfs/dbraw/zinc/78/91/40/783789140.db2.gz QPYKKCRYOOJYBY-CABCVRRESA-N 1 3 329.408 0.386 20 0 ECADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001070500951 784196964 /nfs/dbraw/zinc/19/69/64/784196964.db2.gz PUAQSKQFBKYODD-UKPHBRMFSA-N 1 3 349.479 0.169 20 0 ECADHO CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)N(C)C ZINC001071065302 784506902 /nfs/dbraw/zinc/50/69/02/784506902.db2.gz MRIUULUDTPZEPO-OAGGEKHMSA-N 1 3 327.469 0.305 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070721576 784595501 /nfs/dbraw/zinc/59/55/01/784595501.db2.gz VHSCDIXZLADQAQ-OAGGEKHMSA-N 1 3 349.479 0.171 20 0 ECADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001070767635 784671575 /nfs/dbraw/zinc/67/15/75/784671575.db2.gz GANXIWNOLWBBDB-NVXWUHKLSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001071199067 784719552 /nfs/dbraw/zinc/71/95/52/784719552.db2.gz BUUKVMFSGVPUTR-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001071204084 784729862 /nfs/dbraw/zinc/72/98/62/784729862.db2.gz BJBZJQMBDKBCTL-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001071346297 784987264 /nfs/dbraw/zinc/98/72/64/784987264.db2.gz LNLVQHKNDKKCTM-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001071346297 784987266 /nfs/dbraw/zinc/98/72/66/784987266.db2.gz LNLVQHKNDKKCTM-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072354231 786065607 /nfs/dbraw/zinc/06/56/07/786065607.db2.gz GJRSTDUVWGOJCN-UONOGXRCSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072432329 786175226 /nfs/dbraw/zinc/17/52/26/786175226.db2.gz IAZJQEOXNKLXSX-HUUCEWRRSA-N 1 3 348.491 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCN1CCCC1=O)C2 ZINC001072544725 786349274 /nfs/dbraw/zinc/34/92/74/786349274.db2.gz VNDAPEVVOFUSIS-HNNXBMFYSA-N 1 3 334.464 0.237 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCN1CCCC1=O)C2 ZINC001072544725 786349277 /nfs/dbraw/zinc/34/92/77/786349277.db2.gz VNDAPEVVOFUSIS-HNNXBMFYSA-N 1 3 334.464 0.237 20 0 ECADHO CO[C@H](C)CN1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677255 786947340 /nfs/dbraw/zinc/94/73/40/786947340.db2.gz BOKQEYVJRWKQQD-HZPDHXFCSA-N 1 3 339.480 0.857 20 0 ECADHO CO[C@@H](C)CN1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677256 786947912 /nfs/dbraw/zinc/94/79/12/786947912.db2.gz BOKQEYVJRWKQQD-JKSUJKDBSA-N 1 3 339.480 0.857 20 0 ECADHO CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700874 787002310 /nfs/dbraw/zinc/00/23/10/787002310.db2.gz YDKJRGQBXFUVDZ-BNQMIIOLSA-N 1 3 337.464 0.467 20 0 ECADHO CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073700874 787002323 /nfs/dbraw/zinc/00/23/23/787002323.db2.gz YDKJRGQBXFUVDZ-BNQMIIOLSA-N 1 3 337.464 0.467 20 0 ECADHO CO[C@@H](C)CN1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073756215 787137012 /nfs/dbraw/zinc/13/70/12/787137012.db2.gz WOFBPRBUQAJRDU-GOEBONIOSA-N 1 3 327.469 0.570 20 0 ECADHO C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CN(CCO)CCCO2)c1 ZINC001073899394 787474454 /nfs/dbraw/zinc/47/44/54/787474454.db2.gz SFTSBSBKIFIVGG-KRWDZBQOSA-N 1 3 335.448 0.561 20 0 ECADHO Cc1nc([C@H](C)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)n[nH]1 ZINC001075044448 788790271 /nfs/dbraw/zinc/79/02/71/788790271.db2.gz LOPCNRNFBGSAHY-OBJOEFQTSA-N 1 3 332.452 0.849 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001075136619 788963410 /nfs/dbraw/zinc/96/34/10/788963410.db2.gz FLNRZMINTQXNBQ-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001075170001 789019061 /nfs/dbraw/zinc/01/90/61/789019061.db2.gz PPAHFNOHCDSDOX-ZXFNITATSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCc2ccnn2C)C3)C1 ZINC001072983199 789218230 /nfs/dbraw/zinc/21/82/30/789218230.db2.gz NWFRPPPQARGMCN-INIZCTEOSA-N 1 3 345.491 0.839 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCc2ccnn2C)C3)C1 ZINC001072983199 789218237 /nfs/dbraw/zinc/21/82/37/789218237.db2.gz NWFRPPPQARGMCN-INIZCTEOSA-N 1 3 345.491 0.839 20 0 ECADHO CCN(CC)CC(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001073045697 789340594 /nfs/dbraw/zinc/34/05/94/789340594.db2.gz TVOWWXFSXPYHKE-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CC[N@H+](C)CCC(=O)NC1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001073276913 789692648 /nfs/dbraw/zinc/69/26/48/789692648.db2.gz GMUGNCBNPASLOJ-UHFFFAOYSA-N 1 3 335.452 0.791 20 0 ECADHO CC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001073276913 789692651 /nfs/dbraw/zinc/69/26/51/789692651.db2.gz GMUGNCBNPASLOJ-UHFFFAOYSA-N 1 3 335.452 0.791 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001067010361 792570282 /nfs/dbraw/zinc/57/02/82/792570282.db2.gz JYDQTENKCKNDMQ-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001067010361 792570289 /nfs/dbraw/zinc/57/02/89/792570289.db2.gz JYDQTENKCKNDMQ-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001068145852 792744300 /nfs/dbraw/zinc/74/43/00/792744300.db2.gz DHQCEDHOVIRBOI-MRXNPFEDSA-N 1 3 340.512 0.977 20 0 ECADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001068145852 792744303 /nfs/dbraw/zinc/74/43/03/792744303.db2.gz DHQCEDHOVIRBOI-MRXNPFEDSA-N 1 3 340.512 0.977 20 0 ECADHO CC[C@@H](C(=O)NCCCN1CC[NH+](C[C@@H]2CCOC2)CC1)N(C)C ZINC001266274019 835596911 /nfs/dbraw/zinc/59/69/11/835596911.db2.gz WVQBGQKKOOQEAH-IRXDYDNUSA-N 1 3 340.512 0.487 20 0 ECADHO C[C@H](C[NH+]1CCOCC1)C(=O)NCCCN1CCN(CCF)CC1 ZINC001266277781 835603679 /nfs/dbraw/zinc/60/36/79/835603679.db2.gz PPIFLCAJLIPXBO-MRXNPFEDSA-N 1 3 344.475 0.048 20 0 ECADHO C[C@@H]1C[C@@H](C)CN(C(=O)CNCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001266827053 836352810 /nfs/dbraw/zinc/35/28/10/836352810.db2.gz GYGNRQKQNAKIOO-HUUCEWRRSA-N 1 3 326.485 0.491 20 0 ECADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)[C@H]1CCCCN1C ZINC001408800299 838460230 /nfs/dbraw/zinc/46/02/30/838460230.db2.gz TZKWJMFJSTVXTN-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)[C@H]1CCCCN1C ZINC001408800299 838460234 /nfs/dbraw/zinc/46/02/34/838460234.db2.gz TZKWJMFJSTVXTN-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001408843026 838634936 /nfs/dbraw/zinc/63/49/36/838634936.db2.gz VKQNCCUDDMUYGW-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000354680161 299094787 /nfs/dbraw/zinc/09/47/87/299094787.db2.gz SAJPLLJRCGWQQZ-MRXNPFEDSA-N 1 3 332.448 0.623 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000354713950 299104885 /nfs/dbraw/zinc/10/48/85/299104885.db2.gz NVIDKDRMIDNNLU-DLBZAZTESA-N 1 3 344.459 0.635 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)[C@@H]2C1 ZINC000425404381 210053440 /nfs/dbraw/zinc/05/34/40/210053440.db2.gz PSMXZJQILDFJDX-YLFCFFPRSA-N 1 3 348.491 0.482 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)[C@@H]2C1 ZINC000425404381 210053444 /nfs/dbraw/zinc/05/34/44/210053444.db2.gz PSMXZJQILDFJDX-YLFCFFPRSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425389371 210048447 /nfs/dbraw/zinc/04/84/47/210048447.db2.gz PPBWQKIRTKKNTA-HRCADAONSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425389371 210048449 /nfs/dbraw/zinc/04/84/49/210048449.db2.gz PPBWQKIRTKKNTA-HRCADAONSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@H]1C[NH+](CC2CCN(CCN3C(=O)CCC3=O)CC2)C[C@H](C)O1 ZINC000171304899 290839164 /nfs/dbraw/zinc/83/91/64/290839164.db2.gz BSBVDUAGXZUFQX-GJZGRUSLSA-N 1 3 337.464 0.957 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420156204 209325723 /nfs/dbraw/zinc/32/57/23/209325723.db2.gz FFPGCFWLTFDZMD-CQSZACIVSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000420140562 209318556 /nfs/dbraw/zinc/31/85/56/209318556.db2.gz XVJULRXPNYPDEB-CQSZACIVSA-N 1 3 332.448 0.877 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420137719 209317810 /nfs/dbraw/zinc/31/78/10/209317810.db2.gz WBLSGQPYTCLWFT-UHFFFAOYSA-N 1 3 338.496 0.955 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420104699 209306952 /nfs/dbraw/zinc/30/69/52/209306952.db2.gz RGNGLPLFGIZRPM-INIZCTEOSA-N 1 3 330.432 0.507 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000420017123 209278284 /nfs/dbraw/zinc/27/82/84/209278284.db2.gz UQLGNBQQMMSLOT-LLVKDONJSA-N 1 3 342.390 0.318 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000420009163 209275575 /nfs/dbraw/zinc/27/55/75/209275575.db2.gz VMHJCASXWMMRJM-ZDUSSCGKSA-N 1 3 338.427 0.569 20 0 ECADHO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000419990857 209271226 /nfs/dbraw/zinc/27/12/26/209271226.db2.gz AKRGJXISQIDNPY-CQSZACIVSA-N 1 3 326.485 0.810 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419969260 209264329 /nfs/dbraw/zinc/26/43/29/209264329.db2.gz ROPCZHAOTMPILI-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419929472 209251635 /nfs/dbraw/zinc/25/16/35/209251635.db2.gz MMIPDZBJKDXLMA-KRWDZBQOSA-N 1 3 346.475 0.993 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419899006 209243043 /nfs/dbraw/zinc/24/30/43/209243043.db2.gz QBXNPBVDTYHHCU-HUUCEWRRSA-N 1 3 342.484 0.189 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)o1 ZINC000419893562 209241611 /nfs/dbraw/zinc/24/16/11/209241611.db2.gz MKVBDZYJLCZHBE-AWEZNQCLSA-N 1 3 336.436 0.346 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000419855578 209226436 /nfs/dbraw/zinc/22/64/36/209226436.db2.gz DBQMPZJBGGHMHW-QGZVFWFLSA-N 1 3 346.475 0.739 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419853315 209226325 /nfs/dbraw/zinc/22/63/25/209226325.db2.gz AMBWJSIFRYWLTD-MRXNPFEDSA-N 1 3 338.496 0.810 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419845522 209223086 /nfs/dbraw/zinc/22/30/86/209223086.db2.gz PVEHCKWITMGDRL-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CO[C@@H]1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@H](CN)C1 ZINC000419794108 209205549 /nfs/dbraw/zinc/20/55/49/209205549.db2.gz DPQSXEACKRQGCE-LSDHHAIUSA-N 1 3 342.484 0.186 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419782134 209202424 /nfs/dbraw/zinc/20/24/24/209202424.db2.gz UCRYAOGQQOSZLS-CABCVRRESA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000419771739 209201943 /nfs/dbraw/zinc/20/19/43/209201943.db2.gz GWAZDWGURBBBDR-KKUMJFAQSA-N 1 3 338.496 0.727 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419732375 209191400 /nfs/dbraw/zinc/19/14/00/209191400.db2.gz MKOONWSASZNKMU-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)N1CCC(C)CC1 ZINC000356468823 299392488 /nfs/dbraw/zinc/39/24/88/299392488.db2.gz ZJTRRCBYELXMPL-HUUCEWRRSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N1CCC(C)CC1 ZINC000356468823 299392491 /nfs/dbraw/zinc/39/24/91/299392491.db2.gz ZJTRRCBYELXMPL-HUUCEWRRSA-N 1 3 338.496 0.822 20 0 ECADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)cc1 ZINC000262533446 245020382 /nfs/dbraw/zinc/02/03/82/245020382.db2.gz QAGKBCYHNHHCAI-AEFFLSMTSA-N 1 3 347.459 0.746 20 0 ECADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2)C1 ZINC000262634529 245083624 /nfs/dbraw/zinc/08/36/24/245083624.db2.gz HAVXWSINPFGMSE-LSDHHAIUSA-N 1 3 330.432 0.932 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)NC[C@H](N)c1ccccc1)C1CCCC1 ZINC000419699126 209177215 /nfs/dbraw/zinc/17/72/15/209177215.db2.gz VOYLPQMQISVKAJ-INIZCTEOSA-N 1 3 332.448 0.793 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)NC[C@H](N)c1ccccc1)C1CCCC1 ZINC000419699126 209177219 /nfs/dbraw/zinc/17/72/19/209177219.db2.gz VOYLPQMQISVKAJ-INIZCTEOSA-N 1 3 332.448 0.793 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)C1CCCC1 ZINC000419698175 209175009 /nfs/dbraw/zinc/17/50/09/209175009.db2.gz SCHVBWWKSJZUHX-GDBMZVCRSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000419665444 209164076 /nfs/dbraw/zinc/16/40/76/209164076.db2.gz OHXSBLNJUZMEGV-MRXNPFEDSA-N 1 3 336.480 0.753 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000419656724 209160032 /nfs/dbraw/zinc/16/00/32/209160032.db2.gz IQZHYJYSONFKTF-DJIMGWMZSA-N 1 3 344.459 0.715 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000419656735 209160138 /nfs/dbraw/zinc/16/01/38/209160138.db2.gz IQZHYJYSONFKTF-USXIJHARSA-N 1 3 344.459 0.715 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000419645147 209154173 /nfs/dbraw/zinc/15/41/73/209154173.db2.gz OZZAIYGLPJMVLI-MRXNPFEDSA-N 1 3 336.480 0.611 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@H]1CCCCN1CC)C1CC[NH2+]CC1 ZINC000419577331 209130510 /nfs/dbraw/zinc/13/05/10/209130510.db2.gz CVTSTZFAPKRFPA-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCSC1 ZINC000419576134 209130593 /nfs/dbraw/zinc/13/05/93/209130593.db2.gz BRYPFWGXBHSZNZ-CZUORRHYSA-N 1 3 342.509 0.174 20 0 ECADHO CN(C)CCN1CCC([NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000447819307 211210063 /nfs/dbraw/zinc/21/00/63/211210063.db2.gz YZZJZEDOWIKCKF-UHFFFAOYSA-N 1 3 344.459 0.898 20 0 ECADHO CC1(C)[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@@H]2CCO[C@@H]21 ZINC000447528344 211192496 /nfs/dbraw/zinc/19/24/96/211192496.db2.gz IMJNGKQQZJSMIM-ULQDDVLXSA-N 1 3 325.497 0.780 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419772185 284793324 /nfs/dbraw/zinc/79/33/24/284793324.db2.gz FWCPDQAEOMOQAT-UPJWGTAASA-N 1 3 328.457 0.062 20 0 ECADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357087597 299515922 /nfs/dbraw/zinc/51/59/22/299515922.db2.gz WDBAANQQFSPVCP-KBMXLJTQSA-N 1 3 336.480 0.420 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c1 ZINC000441837285 210911702 /nfs/dbraw/zinc/91/17/02/210911702.db2.gz HUALARBRHLQCQD-UHFFFAOYSA-N 1 3 336.436 0.381 20 0 ECADHO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000433392982 296306720 /nfs/dbraw/zinc/30/67/20/296306720.db2.gz ZXIDJVLVBGHQCY-LSDHHAIUSA-N 1 3 332.452 0.903 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410884117 208014536 /nfs/dbraw/zinc/01/45/36/208014536.db2.gz JKPITVFICRVCKX-MRXNPFEDSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(OCCN(C)C)cc1 ZINC000414171937 208395437 /nfs/dbraw/zinc/39/54/37/208395437.db2.gz DMPXAYATLFIZFA-HOCLYGCPSA-N 1 3 333.436 0.930 20 0 ECADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430606771 210387757 /nfs/dbraw/zinc/38/77/57/210387757.db2.gz WJOXFFIUXPIMJT-QKPAOTATSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@](C)(CN)C2CC2)C1 ZINC000430571420 210383254 /nfs/dbraw/zinc/38/32/54/210383254.db2.gz MFVFBHCSKJCXPM-NVXWUHKLSA-N 1 3 326.485 0.176 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@](C)(C[NH3+])C2CC2)C1 ZINC000430571420 210383252 /nfs/dbraw/zinc/38/32/52/210383252.db2.gz MFVFBHCSKJCXPM-NVXWUHKLSA-N 1 3 326.485 0.176 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419473343 209104016 /nfs/dbraw/zinc/10/40/16/209104016.db2.gz AJBMHSNJGABGER-CVEARBPZSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419473343 209104018 /nfs/dbraw/zinc/10/40/18/209104018.db2.gz AJBMHSNJGABGER-CVEARBPZSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418717013 208839088 /nfs/dbraw/zinc/83/90/88/208839088.db2.gz HSPHEBKFYSKSNK-YCPHGPKFSA-N 1 3 349.479 0.310 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000496167524 255077021 /nfs/dbraw/zinc/07/70/21/255077021.db2.gz KZLWFVFLVXAASI-UHFFFAOYSA-N 1 3 338.452 0.363 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)NCCCN1CCc2ccccc2C1)C1CC1 ZINC000419421074 209091293 /nfs/dbraw/zinc/09/12/93/209091293.db2.gz KTNTVXJUJVTNLB-QGZVFWFLSA-N 1 3 344.459 0.405 20 0 ECADHO CCCN(C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000419165878 209009212 /nfs/dbraw/zinc/00/92/12/209009212.db2.gz GTNRCAPLRKQKNZ-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000419171582 209010744 /nfs/dbraw/zinc/01/07/44/209010744.db2.gz PHTGUTZXWDDRHU-HUUCEWRRSA-N 1 3 326.485 0.857 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000419171582 209010745 /nfs/dbraw/zinc/01/07/45/209010745.db2.gz PHTGUTZXWDDRHU-HUUCEWRRSA-N 1 3 326.485 0.857 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419175452 209012977 /nfs/dbraw/zinc/01/29/77/209012977.db2.gz XPQBNPHGBPBUCI-HUUCEWRRSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419197105 209021506 /nfs/dbraw/zinc/02/15/06/209021506.db2.gz XNAKFUISMOTAAD-OAHLLOKOSA-N 1 3 346.475 0.521 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000419219188 209031359 /nfs/dbraw/zinc/03/13/59/209031359.db2.gz SYPNIVKTEDBFQF-MRXNPFEDSA-N 1 3 348.447 0.097 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419232007 209035628 /nfs/dbraw/zinc/03/56/28/209035628.db2.gz TVTBYPYQDIHCDA-LVYZTWJOSA-N 1 3 348.491 0.766 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C(=O)NCCN)cc2)C1 ZINC000419345598 209063935 /nfs/dbraw/zinc/06/39/35/209063935.db2.gz UFWBVDBMGSLXBU-GJZGRUSLSA-N 1 3 346.475 0.856 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420803708 285317760 /nfs/dbraw/zinc/31/77/60/285317760.db2.gz MNPIXRBNYSUMNI-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000420803708 285317766 /nfs/dbraw/zinc/31/77/66/285317766.db2.gz MNPIXRBNYSUMNI-IRXDYDNUSA-N 1 3 339.528 0.996 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)COC1CCOCC1 ZINC000119315159 221291917 /nfs/dbraw/zinc/29/19/17/221291917.db2.gz UXYDPSGQLFKHFB-KRWDZBQOSA-N 1 3 343.512 0.501 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)COC1CCOCC1 ZINC000119315159 221291921 /nfs/dbraw/zinc/29/19/21/221291921.db2.gz UXYDPSGQLFKHFB-KRWDZBQOSA-N 1 3 343.512 0.501 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000417748305 285321587 /nfs/dbraw/zinc/32/15/87/285321587.db2.gz KEIYZVCSDRUWJM-IKGGRYGDSA-N 1 3 339.528 0.947 20 0 ECADHO CC(=O)NCCCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130683937 296665951 /nfs/dbraw/zinc/66/59/51/296665951.db2.gz MPUDXXPNQQMMBO-UHFFFAOYSA-N 1 3 340.512 0.929 20 0 ECADHO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193618446 165057325 /nfs/dbraw/zinc/05/73/25/165057325.db2.gz HMWBFTURCQNNKJ-UXLLHSPISA-N 1 3 333.432 0.878 20 0 ECADHO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193618446 165057327 /nfs/dbraw/zinc/05/73/27/165057327.db2.gz HMWBFTURCQNNKJ-UXLLHSPISA-N 1 3 333.432 0.878 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000419403038 209081683 /nfs/dbraw/zinc/08/16/83/209081683.db2.gz DCAQKQUKUBFKHS-GJZGRUSLSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000419403037 209081954 /nfs/dbraw/zinc/08/19/54/209081954.db2.gz DCAQKQUKUBFKHS-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO C[C@]1(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCC[NH2+]C1 ZINC000331628612 296949393 /nfs/dbraw/zinc/94/93/93/296949393.db2.gz LOUCAQOIXGPUPH-YJBOKZPZSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)CN1CCN(C)CC1 ZINC000085408277 263142958 /nfs/dbraw/zinc/14/29/58/263142958.db2.gz AIWRDMQBBCQVGG-IKGGRYGDSA-N 1 3 339.528 0.852 20 0 ECADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)CN1CCN(C)CC1 ZINC000085408277 263142959 /nfs/dbraw/zinc/14/29/59/263142959.db2.gz AIWRDMQBBCQVGG-IKGGRYGDSA-N 1 3 339.528 0.852 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000174111864 263149617 /nfs/dbraw/zinc/14/96/17/263149617.db2.gz AQKGPWOJGXFHHQ-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO CCC[NH2+]CCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418486852 276017342 /nfs/dbraw/zinc/01/73/42/276017342.db2.gz GVUMDYITNRFDGO-GOSISDBHSA-N 1 3 334.464 0.922 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423058345 277379303 /nfs/dbraw/zinc/37/93/03/277379303.db2.gz BVUVEOQHQDYFEB-JYJNAYRXSA-N 1 3 338.496 0.618 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425403847 279034067 /nfs/dbraw/zinc/03/40/67/279034067.db2.gz PDXMZNBXNAJVBI-HRCADAONSA-N 1 3 336.480 0.339 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425403847 279034070 /nfs/dbraw/zinc/03/40/70/279034070.db2.gz PDXMZNBXNAJVBI-HRCADAONSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000419115573 279135658 /nfs/dbraw/zinc/13/56/58/279135658.db2.gz JYFGRVDZVGHTEI-OAHLLOKOSA-N 1 3 326.485 0.713 20 0 ECADHO CCO[C@H]1C[C@@](N)(C(=O)NCCN2CCC([NH+](C)C)CC2)C1(C)C ZINC000188247031 279924001 /nfs/dbraw/zinc/92/40/01/279924001.db2.gz FSZHDFQFLWWRDY-MAUKXSAKSA-N 1 3 340.512 0.661 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])N1CCN(C)CC1 ZINC000424450763 280246860 /nfs/dbraw/zinc/24/68/60/280246860.db2.gz BAHRBNZTBVDIBC-OAGGEKHMSA-N 1 3 325.501 0.828 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000340215680 437603595 /nfs/dbraw/zinc/60/35/95/437603595.db2.gz WYPQZZGXMZDLLY-OWCLPIDISA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418854512 288320441 /nfs/dbraw/zinc/32/04/41/288320441.db2.gz TYLIGAWBHILXFV-OIISXLGYSA-N 1 3 346.475 0.390 20 0 ECADHO CN1CCN(CCNC(=O)NCC2([NH+](C)C)CCC2)CC1(C)C ZINC000441055133 282035117 /nfs/dbraw/zinc/03/51/17/282035117.db2.gz YMDPHMCTKCWBCW-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccc(F)cc1 ZINC000418771868 289189022 /nfs/dbraw/zinc/18/90/22/289189022.db2.gz WNIREBZDNVCTDN-JKSUJKDBSA-N 1 3 337.443 0.631 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000418980010 289223970 /nfs/dbraw/zinc/22/39/70/289223970.db2.gz DTEBZPXKRUJRLE-LJQANCHMSA-N 1 3 344.459 0.576 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332113037 297003637 /nfs/dbraw/zinc/00/36/37/297003637.db2.gz CMYBLEITHUEFEK-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332113037 297003638 /nfs/dbraw/zinc/00/36/38/297003638.db2.gz CMYBLEITHUEFEK-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000332756218 297070589 /nfs/dbraw/zinc/07/05/89/297070589.db2.gz NBSFFDXEUZARLW-MAUKXSAKSA-N 1 3 334.464 0.376 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1=O ZINC000360144026 299941156 /nfs/dbraw/zinc/94/11/56/299941156.db2.gz SPQIMJCAPMFGJV-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419984115 295652878 /nfs/dbraw/zinc/65/28/78/295652878.db2.gz VNVTYBQDEJMYBX-JKSUJKDBSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CCS(=O)(=O)CC1 ZINC000333027540 297102373 /nfs/dbraw/zinc/10/23/73/297102373.db2.gz BKWQLPAUVCZTNX-AWEZNQCLSA-N 1 3 331.526 0.815 20 0 ECADHO C[C@H](CC[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000333037374 297103370 /nfs/dbraw/zinc/10/33/70/297103370.db2.gz NUBKXFFIWWPYOP-JLSDUUJJSA-N 1 3 334.464 0.189 20 0 ECADHO C[C@H](CC[N@H+]1CC[C@]2(CNC(=O)C2)C1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000333037374 297103371 /nfs/dbraw/zinc/10/33/71/297103371.db2.gz NUBKXFFIWWPYOP-JLSDUUJJSA-N 1 3 334.464 0.189 20 0 ECADHO CC(C)N1CCCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000333329120 297125345 /nfs/dbraw/zinc/12/53/45/297125345.db2.gz OBAUQQLZVGCIGR-UHFFFAOYSA-N 1 3 347.467 0.834 20 0 ECADHO C[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCC(C)CC1 ZINC000333849222 297152237 /nfs/dbraw/zinc/15/22/37/297152237.db2.gz WWVKBETUHTXEEL-IRXDYDNUSA-N 1 3 337.512 0.796 20 0 ECADHO O=C1c2ccccc2C(=O)N1CCCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000336894469 297169912 /nfs/dbraw/zinc/16/99/12/297169912.db2.gz WJUZLMIGGVRRNR-HNNXBMFYSA-N 1 3 342.443 0.652 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339634829 297366551 /nfs/dbraw/zinc/36/65/51/297366551.db2.gz HVTSXTNVTYUDLU-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339634829 297366553 /nfs/dbraw/zinc/36/65/53/297366553.db2.gz HVTSXTNVTYUDLU-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000339640184 297367897 /nfs/dbraw/zinc/36/78/97/297367897.db2.gz YKMVYUOROGILKL-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339639849 297367930 /nfs/dbraw/zinc/36/79/30/297367930.db2.gz UXMRJPIWJIVYFF-UHFFFAOYSA-N 1 3 326.485 0.774 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000339740283 297376058 /nfs/dbraw/zinc/37/60/58/297376058.db2.gz KMHTUHCVUXMZMQ-MRXNPFEDSA-N 1 3 332.448 0.527 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000339751193 297378691 /nfs/dbraw/zinc/37/86/91/297378691.db2.gz IIDYGNHSCLBOBO-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCCC2)CCN1C ZINC000339754642 297379588 /nfs/dbraw/zinc/37/95/88/297379588.db2.gz TVPHVEYLEKIKAQ-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C[NH+]1CCCC1 ZINC000340766150 297537655 /nfs/dbraw/zinc/53/76/55/297537655.db2.gz HPCDPARZSOPBQB-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000419161223 297557303 /nfs/dbraw/zinc/55/73/03/297557303.db2.gz RIAFCTSHUSNZTC-JSGCOSHPSA-N 1 3 340.468 0.064 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC[C@H]1CCOC1 ZINC000344472783 298025731 /nfs/dbraw/zinc/02/57/31/298025731.db2.gz BBUUKVFHOWDCAO-IRXDYDNUSA-N 1 3 341.496 0.914 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC[C@H]1CCOC1 ZINC000344472783 298025733 /nfs/dbraw/zinc/02/57/33/298025733.db2.gz BBUUKVFHOWDCAO-IRXDYDNUSA-N 1 3 341.496 0.914 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCCN(C)[C@@H]3C)C2)CC1 ZINC000345744518 298189351 /nfs/dbraw/zinc/18/93/51/298189351.db2.gz KORJCJFJVQTLQS-BRWVUGGUSA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000345744518 298189354 /nfs/dbraw/zinc/18/93/54/298189354.db2.gz KORJCJFJVQTLQS-BRWVUGGUSA-N 1 3 337.512 0.891 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000345744518 298189357 /nfs/dbraw/zinc/18/93/57/298189357.db2.gz KORJCJFJVQTLQS-BRWVUGGUSA-N 1 3 337.512 0.891 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346112385 298229126 /nfs/dbraw/zinc/22/91/26/298229126.db2.gz PXNLCYUCSRVGET-FOCJUVANSA-N 1 3 334.464 0.327 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346112385 298229127 /nfs/dbraw/zinc/22/91/27/298229127.db2.gz PXNLCYUCSRVGET-FOCJUVANSA-N 1 3 334.464 0.327 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346198403 298237656 /nfs/dbraw/zinc/23/76/56/298237656.db2.gz YVMQUOLDHVFYNU-HUUCEWRRSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000346547652 298291661 /nfs/dbraw/zinc/29/16/61/298291661.db2.gz STNZVLJXJKEKCZ-GOEBONIOSA-N 1 3 338.496 0.632 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCCCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000346570878 298295596 /nfs/dbraw/zinc/29/55/96/298295596.db2.gz PYBIRVVQNAZJEC-HZPDHXFCSA-N 1 3 349.541 0.995 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCCCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000346570878 298295599 /nfs/dbraw/zinc/29/55/99/298295599.db2.gz PYBIRVVQNAZJEC-HZPDHXFCSA-N 1 3 349.541 0.995 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000361866412 300135572 /nfs/dbraw/zinc/13/55/72/300135572.db2.gz ADQIALYUAQNIKI-XHSDSOJGSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000361866412 300135574 /nfs/dbraw/zinc/13/55/74/300135574.db2.gz ADQIALYUAQNIKI-XHSDSOJGSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000362867518 300229090 /nfs/dbraw/zinc/22/90/90/300229090.db2.gz JHGGMKATHIHLIA-HHXXYDBFSA-N 1 3 331.460 0.937 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000362867518 300229094 /nfs/dbraw/zinc/22/90/94/300229094.db2.gz JHGGMKATHIHLIA-HHXXYDBFSA-N 1 3 331.460 0.937 20 0 ECADHO CC[N@H+](CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1)C1CC1 ZINC000074053350 436101700 /nfs/dbraw/zinc/10/17/00/436101700.db2.gz ITGJVGUUPVLAKJ-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO CC[N@@H+](CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1)C1CC1 ZINC000074053350 436101703 /nfs/dbraw/zinc/10/17/03/436101703.db2.gz ITGJVGUUPVLAKJ-OAHLLOKOSA-N 1 3 325.501 0.653 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH+](C)C)CCCCC2)CC1=O ZINC000072799493 436055621 /nfs/dbraw/zinc/05/56/21/436055621.db2.gz BGGUAAZYGHORTQ-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO COC(=O)[C@H]1CCC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000073428139 436079403 /nfs/dbraw/zinc/07/94/03/436079403.db2.gz BETWRZFCIFBWNY-GJZGRUSLSA-N 1 3 327.469 0.918 20 0 ECADHO C[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000074657252 436132990 /nfs/dbraw/zinc/13/29/90/436132990.db2.gz LJCHNMNLLPEQMB-IAGOWNOFSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000074657252 436132995 /nfs/dbraw/zinc/13/29/95/436132995.db2.gz LJCHNMNLLPEQMB-IAGOWNOFSA-N 1 3 337.512 0.750 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000074676447 436136557 /nfs/dbraw/zinc/13/65/57/436136557.db2.gz JHMATSBRUXWHTQ-CVEARBPZSA-N 1 3 326.485 0.097 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000074657484 436137532 /nfs/dbraw/zinc/13/75/32/436137532.db2.gz UFVLNIXMYZUIRX-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO CN(CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)Cc1ccccc1 ZINC000074227801 436114075 /nfs/dbraw/zinc/11/40/75/436114075.db2.gz ZPCRFHAHGOPVMQ-KRWDZBQOSA-N 1 3 346.475 0.645 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1=O ZINC000074249888 436116441 /nfs/dbraw/zinc/11/64/41/436116441.db2.gz ALKVELCWMHXOKY-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)CN1CCN(C)CC1 ZINC000074350162 436122653 /nfs/dbraw/zinc/12/26/53/436122653.db2.gz YQPBWMBIAZQHSC-RDJZCZTQSA-N 1 3 337.512 0.653 20 0 ECADHO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)CN1CCN(C)CC1 ZINC000074350162 436122660 /nfs/dbraw/zinc/12/26/60/436122660.db2.gz YQPBWMBIAZQHSC-RDJZCZTQSA-N 1 3 337.512 0.653 20 0 ECADHO [NH3+][C@@H](CC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)c1ccccc1 ZINC000376719031 301284914 /nfs/dbraw/zinc/28/49/14/301284914.db2.gz BXBQARIOYGWROX-ROUUACIJSA-N 1 3 346.475 0.599 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000377506014 301355384 /nfs/dbraw/zinc/35/53/84/301355384.db2.gz RYXJKUPPOMQVTL-UKRRQHHQSA-N 1 3 337.464 0.990 20 0 ECADHO COC(=O)CC[C@@H](N)C(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000377506014 301355385 /nfs/dbraw/zinc/35/53/85/301355385.db2.gz RYXJKUPPOMQVTL-UKRRQHHQSA-N 1 3 337.464 0.990 20 0 ECADHO CC(C)[C@H](CNC(=O)NC1CC[NH+](C)CC1)N1CCN(C)CC1 ZINC000079205246 436294088 /nfs/dbraw/zinc/29/40/88/436294088.db2.gz QVFYIRIZORHPLK-INIZCTEOSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077811123 436253969 /nfs/dbraw/zinc/25/39/69/436253969.db2.gz BUIYNRWBPBWNJN-HNNXBMFYSA-N 1 3 326.485 0.863 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077811123 436253970 /nfs/dbraw/zinc/25/39/70/436253970.db2.gz BUIYNRWBPBWNJN-HNNXBMFYSA-N 1 3 326.485 0.863 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000519690250 301754643 /nfs/dbraw/zinc/75/46/43/301754643.db2.gz FYLZFQKEBBNIIV-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 ZINC000050802659 436478018 /nfs/dbraw/zinc/47/80/18/436478018.db2.gz RKHIFAYCKJLHNU-UHFFFAOYSA-N 1 3 332.448 0.523 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000104533000 436559261 /nfs/dbraw/zinc/55/92/61/436559261.db2.gz FEILAARKVWLGEB-UHFFFAOYSA-N 1 3 346.431 0.478 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCN2C)CC1=O ZINC000105328859 436573861 /nfs/dbraw/zinc/57/38/61/436573861.db2.gz AVGYVIHBTDVHAN-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCN2C)CC1=O ZINC000105328859 436573867 /nfs/dbraw/zinc/57/38/67/436573867.db2.gz AVGYVIHBTDVHAN-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000545449205 302237977 /nfs/dbraw/zinc/23/79/77/302237977.db2.gz OCCHVJRHGAWQTC-UHFFFAOYSA-N 1 3 330.436 0.833 20 0 ECADHO CC(C)N(C)CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000066731880 436695169 /nfs/dbraw/zinc/69/51/69/436695169.db2.gz DJRXBFXKIINJJT-UHFFFAOYSA-N 1 3 334.464 0.934 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000237017979 436721670 /nfs/dbraw/zinc/72/16/70/436721670.db2.gz RUDFWXRUCGOGAF-IRXDYDNUSA-N 1 3 346.475 0.788 20 0 ECADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000238053554 436753196 /nfs/dbraw/zinc/75/31/96/436753196.db2.gz MWVGTBNVLQHANI-QGZVFWFLSA-N 1 3 344.459 0.880 20 0 ECADHO CN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000154331057 436775560 /nfs/dbraw/zinc/77/55/60/436775560.db2.gz YGBUMRCGENAOMB-UHFFFAOYSA-N 1 3 337.468 0.029 20 0 ECADHO COC[C@](C)(CCO)NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274157876 436801778 /nfs/dbraw/zinc/80/17/78/436801778.db2.gz YYTSPHNMENDSOI-AEFFLSMTSA-N 1 3 337.464 0.783 20 0 ECADHO COCCc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n(C)n1 ZINC000133035616 436872612 /nfs/dbraw/zinc/87/26/12/436872612.db2.gz NOAFHILETOEOTK-UHFFFAOYSA-N 1 3 340.472 0.566 20 0 ECADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000162371609 436906183 /nfs/dbraw/zinc/90/61/83/436906183.db2.gz HJDHWTKTVKOPDK-MBNYWOFBSA-N 1 3 330.454 0.412 20 0 ECADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164268272 436930301 /nfs/dbraw/zinc/93/03/01/436930301.db2.gz YMGGMEKNERGIRP-IKGGRYGDSA-N 1 3 332.496 0.917 20 0 ECADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164268272 436930305 /nfs/dbraw/zinc/93/03/05/436930305.db2.gz YMGGMEKNERGIRP-IKGGRYGDSA-N 1 3 332.496 0.917 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000168846366 436943419 /nfs/dbraw/zinc/94/34/19/436943419.db2.gz CTGNYEWUYASNCS-INIZCTEOSA-N 1 3 339.480 0.906 20 0 ECADHO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000298725160 437049256 /nfs/dbraw/zinc/04/92/56/437049256.db2.gz KMOSQXMKVKGRDZ-QGZVFWFLSA-N 1 3 334.464 0.874 20 0 ECADHO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000298725160 437049258 /nfs/dbraw/zinc/04/92/58/437049258.db2.gz KMOSQXMKVKGRDZ-QGZVFWFLSA-N 1 3 334.464 0.874 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)N1CCC(C)CC1 ZINC000331394441 437088530 /nfs/dbraw/zinc/08/85/30/437088530.db2.gz KCCVMHGCNNDEPC-BZUAXINKSA-N 1 3 336.480 0.291 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CNCCC1(F)F ZINC000418742526 303372559 /nfs/dbraw/zinc/37/25/59/303372559.db2.gz BZGSXXHVRKAPRN-RYUDHWBXSA-N 1 3 347.410 0.013 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331695678 437145865 /nfs/dbraw/zinc/14/58/65/437145865.db2.gz ZATQWDASLMBORN-XUWVNRHRSA-N 1 3 336.480 0.515 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000419900256 303457830 /nfs/dbraw/zinc/45/78/30/303457830.db2.gz SBNWCCWYBICYKA-BZUAXINKSA-N 1 3 336.480 0.849 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000331932067 437182860 /nfs/dbraw/zinc/18/28/60/437182860.db2.gz LKVMNRVIAOGGSC-KFWWJZLASA-N 1 3 336.480 0.291 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000321701703 437214331 /nfs/dbraw/zinc/21/43/31/437214331.db2.gz NQJPIJFWZKFTKD-INIZCTEOSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000321701703 437214334 /nfs/dbraw/zinc/21/43/34/437214334.db2.gz NQJPIJFWZKFTKD-INIZCTEOSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000332344522 437214555 /nfs/dbraw/zinc/21/45/55/437214555.db2.gz STDMQYAFNBCQKL-HOTGVXAUSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000332646176 437238495 /nfs/dbraw/zinc/23/84/95/437238495.db2.gz SQTHVYKPNXDNOY-BMFZPTHFSA-N 1 3 336.480 0.657 20 0 ECADHO C[C@@H](CC(N)=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267264328 437312265 /nfs/dbraw/zinc/31/22/65/437312265.db2.gz QUWFZMRCOFXWJX-XJKSGUPXSA-N 1 3 332.448 0.737 20 0 ECADHO C[C@@H](CC(N)=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267264328 437312270 /nfs/dbraw/zinc/31/22/70/437312270.db2.gz QUWFZMRCOFXWJX-XJKSGUPXSA-N 1 3 332.448 0.737 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333548435 437275581 /nfs/dbraw/zinc/27/55/81/437275581.db2.gz JBWQQOUQXYCFQW-RBSFLKMASA-N 1 3 332.452 0.901 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000288724621 437349484 /nfs/dbraw/zinc/34/94/84/437349484.db2.gz TXHIWXWODVVEFG-WBVHZDCISA-N 1 3 346.475 0.643 20 0 ECADHO Cc1nccn1CCC[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000268500828 437425790 /nfs/dbraw/zinc/42/57/90/437425790.db2.gz AGHWPPDVULORJF-UHFFFAOYSA-N 1 3 329.452 0.913 20 0 ECADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419997568 303837034 /nfs/dbraw/zinc/83/70/34/303837034.db2.gz KDBBLMXIQIXSFC-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000290061254 437461020 /nfs/dbraw/zinc/46/10/20/437461020.db2.gz USBATRFKEPWIPI-IRXDYDNUSA-N 1 3 346.475 0.982 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000343143683 437515038 /nfs/dbraw/zinc/51/50/38/437515038.db2.gz FTPKFIZRIBRUOU-GASCZTMLSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000343143683 437515044 /nfs/dbraw/zinc/51/50/44/437515044.db2.gz FTPKFIZRIBRUOU-GASCZTMLSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000343175116 437524990 /nfs/dbraw/zinc/52/49/90/437524990.db2.gz QRQOMJZQGAECID-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000343175116 437524994 /nfs/dbraw/zinc/52/49/94/437524994.db2.gz QRQOMJZQGAECID-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000343175114 437525114 /nfs/dbraw/zinc/52/51/14/437525114.db2.gz QRQOMJZQGAECID-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000343175114 437525118 /nfs/dbraw/zinc/52/51/18/437525118.db2.gz QRQOMJZQGAECID-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H](C)N(C)C)C1)[NH+](C)C ZINC000343190439 437528072 /nfs/dbraw/zinc/52/80/72/437528072.db2.gz BJMAGDAQMVGDPW-QKPAOTATSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)C1)N(C)C ZINC000343190439 437528081 /nfs/dbraw/zinc/52/80/81/437528081.db2.gz BJMAGDAQMVGDPW-QKPAOTATSA-N 1 3 340.512 0.925 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CCN(C2CC2)CC1 ZINC000339963145 437529467 /nfs/dbraw/zinc/52/94/67/437529467.db2.gz FQVQLYLEXMSLHK-CYBMUJFWSA-N 1 3 334.464 0.330 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CCN(C2CC2)CC1 ZINC000339963145 437529472 /nfs/dbraw/zinc/52/94/72/437529472.db2.gz FQVQLYLEXMSLHK-CYBMUJFWSA-N 1 3 334.464 0.330 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000360171333 437546832 /nfs/dbraw/zinc/54/68/32/437546832.db2.gz NWTFFVLYIIUBRE-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000360171333 437546836 /nfs/dbraw/zinc/54/68/36/437546836.db2.gz NWTFFVLYIIUBRE-CABCVRRESA-N 1 3 326.485 0.776 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000343291683 437548847 /nfs/dbraw/zinc/54/88/47/437548847.db2.gz BTPWGZVVTMKTCR-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000343424347 437578846 /nfs/dbraw/zinc/57/88/46/437578846.db2.gz IKTJOBSFUCSEMX-QZTJIDSGSA-N 1 3 349.523 0.005 20 0 ECADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000343424347 437578849 /nfs/dbraw/zinc/57/88/49/437578849.db2.gz IKTJOBSFUCSEMX-QZTJIDSGSA-N 1 3 349.523 0.005 20 0 ECADHO CCN1CCN(CC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000343680511 437626151 /nfs/dbraw/zinc/62/61/51/437626151.db2.gz OQSVEWGQROLMOU-QGZVFWFLSA-N 1 3 339.528 0.014 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000340478727 437658443 /nfs/dbraw/zinc/65/84/43/437658443.db2.gz HKUZWPDWLLXDMU-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000340478727 437658446 /nfs/dbraw/zinc/65/84/46/437658446.db2.gz HKUZWPDWLLXDMU-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1=CCN(C)CC1 ZINC000340480193 437662235 /nfs/dbraw/zinc/66/22/35/437662235.db2.gz XTEQUHSHMGBDDY-NUEKZKHPSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1=CCN(C)CC1 ZINC000340480193 437662238 /nfs/dbraw/zinc/66/22/38/437662238.db2.gz XTEQUHSHMGBDDY-NUEKZKHPSA-N 1 3 334.464 0.496 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000340509127 437678742 /nfs/dbraw/zinc/67/87/42/437678742.db2.gz FIPMDKIFGVPOQJ-HUUCEWRRSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000340509127 437678747 /nfs/dbraw/zinc/67/87/47/437678747.db2.gz FIPMDKIFGVPOQJ-HUUCEWRRSA-N 1 3 348.491 0.720 20 0 ECADHO Cn1c(CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cc(=O)n(C)c1=O ZINC000362106210 437718175 /nfs/dbraw/zinc/71/81/75/437718175.db2.gz NFXBMPCWAUALKC-CQSZACIVSA-N 1 3 346.475 0.780 20 0 ECADHO Cn1c(CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cc(=O)n(C)c1=O ZINC000362106210 437718179 /nfs/dbraw/zinc/71/81/79/437718179.db2.gz NFXBMPCWAUALKC-CQSZACIVSA-N 1 3 346.475 0.780 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000356501860 437772155 /nfs/dbraw/zinc/77/21/55/437772155.db2.gz GQPMFDAVLAIQOD-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356501860 437772160 /nfs/dbraw/zinc/77/21/60/437772160.db2.gz GQPMFDAVLAIQOD-JKSUJKDBSA-N 1 3 338.496 0.824 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)CN2CCOCC2)C1 ZINC000355729816 437727661 /nfs/dbraw/zinc/72/76/61/437727661.db2.gz GIDTYKILJYWGPN-IAGOWNOFSA-N 1 3 329.485 0.112 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000340785355 437731851 /nfs/dbraw/zinc/73/18/51/437731851.db2.gz YFALUQBLIZLJQG-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@@H+](CCC(=O)NC(=O)NC)CCN1CCN(CC)CC1 ZINC000344130943 437736811 /nfs/dbraw/zinc/73/68/11/437736811.db2.gz IROLPMZEBDFVJR-UHFFFAOYSA-N 1 3 327.473 0.182 20 0 ECADHO CCC[N@H+](CCC(=O)NC(=O)NC)CCN1CCN(CC)CC1 ZINC000344130943 437736812 /nfs/dbraw/zinc/73/68/12/437736812.db2.gz IROLPMZEBDFVJR-UHFFFAOYSA-N 1 3 327.473 0.182 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)CC1=O ZINC000364774985 437824291 /nfs/dbraw/zinc/82/42/91/437824291.db2.gz HJFZNQYQUUCANJ-HRCADAONSA-N 1 3 336.480 0.578 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423760527 437826893 /nfs/dbraw/zinc/82/68/93/437826893.db2.gz QFMFAWPPXOAFPJ-ZFWWWQNUSA-N 1 3 327.469 0.997 20 0 ECADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000423624018 437781714 /nfs/dbraw/zinc/78/17/14/437781714.db2.gz PEFXSQDSDPIWNW-MRXNPFEDSA-N 1 3 336.480 0.661 20 0 ECADHO COCCN(C)CCNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341091967 437790389 /nfs/dbraw/zinc/79/03/89/437790389.db2.gz DUFJLHJIWUEVMD-UHFFFAOYSA-N 1 3 344.500 0.753 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c(OCCN(C)C)c1 ZINC000415371298 437792019 /nfs/dbraw/zinc/79/20/19/437792019.db2.gz FBDVJRJDXVBLSG-CQSZACIVSA-N 1 3 348.447 0.742 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000341154149 437804492 /nfs/dbraw/zinc/80/44/92/437804492.db2.gz DKMDOVBHASQYFV-CVEARBPZSA-N 1 3 349.479 0.230 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000341154149 437804497 /nfs/dbraw/zinc/80/44/97/437804497.db2.gz DKMDOVBHASQYFV-CVEARBPZSA-N 1 3 349.479 0.230 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000341162933 437804944 /nfs/dbraw/zinc/80/49/44/437804944.db2.gz LXTRYGGOLRLUOO-UONOGXRCSA-N 1 3 337.468 0.110 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000341162933 437804949 /nfs/dbraw/zinc/80/49/49/437804949.db2.gz LXTRYGGOLRLUOO-UONOGXRCSA-N 1 3 337.468 0.110 20 0 ECADHO CO[C@@H]1CN[C@@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000365156529 437868167 /nfs/dbraw/zinc/86/81/67/437868167.db2.gz OBAFJHSHBINVHD-JKSUJKDBSA-N 1 3 347.415 0.911 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415859482 437871435 /nfs/dbraw/zinc/87/14/35/437871435.db2.gz ARTQAYGKEOIJNA-UHFFFAOYSA-N 1 3 332.448 0.988 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N(C)CC[NH3+])cc1Cl ZINC000415878344 437876309 /nfs/dbraw/zinc/87/63/09/437876309.db2.gz MDSXJEIHMXOGCE-UHFFFAOYSA-N 1 3 342.827 0.636 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000341640592 437877351 /nfs/dbraw/zinc/87/73/51/437877351.db2.gz OJYFZARTINPEQM-INIZCTEOSA-N 1 3 340.512 0.345 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000341640592 437877356 /nfs/dbraw/zinc/87/73/56/437877356.db2.gz OJYFZARTINPEQM-INIZCTEOSA-N 1 3 340.512 0.345 20 0 ECADHO [NH3+]C[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCCO1 ZINC000424016865 437878185 /nfs/dbraw/zinc/87/81/85/437878185.db2.gz FUSBJLUJQGDLET-SFHVURJKSA-N 1 3 346.475 0.775 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423776084 437830199 /nfs/dbraw/zinc/83/01/99/437830199.db2.gz NHKSUDQXGGIPHN-OIISXLGYSA-N 1 3 344.459 0.491 20 0 ECADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415613313 437831532 /nfs/dbraw/zinc/83/15/32/437831532.db2.gz LYZMRSDPQHADFB-XJKSGUPXSA-N 1 3 348.447 0.680 20 0 ECADHO O=C(COC1C[NH2+]C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423849867 437841310 /nfs/dbraw/zinc/84/13/10/437841310.db2.gz PHGJXXHLVSMHJX-QGZVFWFLSA-N 1 3 333.432 0.382 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000415686456 437841666 /nfs/dbraw/zinc/84/16/66/437841666.db2.gz HSKBKBZHFXCQMW-SFHVURJKSA-N 1 3 348.447 0.763 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000415780522 437857860 /nfs/dbraw/zinc/85/78/60/437857860.db2.gz IOFNAZPYCKKLNE-STQMWFEESA-N 1 3 336.436 0.726 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000423945441 437866457 /nfs/dbraw/zinc/86/64/57/437866457.db2.gz GXPALQFGJKZWLV-JCYILVPMSA-N 1 3 338.496 0.428 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)NC2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423945441 437866459 /nfs/dbraw/zinc/86/64/59/437866459.db2.gz GXPALQFGJKZWLV-JCYILVPMSA-N 1 3 338.496 0.428 20 0 ECADHO C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCC(N)=O)CCN1Cc1ccccc1 ZINC000365562019 437932692 /nfs/dbraw/zinc/93/26/92/437932692.db2.gz BVHAQLWPVBPTHR-HOCLYGCPSA-N 1 3 332.448 0.702 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415952965 437881594 /nfs/dbraw/zinc/88/15/94/437881594.db2.gz LSEQZVCMOHPFEN-CYBMUJFWSA-N 1 3 335.456 0.738 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415952965 437881598 /nfs/dbraw/zinc/88/15/98/437881598.db2.gz LSEQZVCMOHPFEN-CYBMUJFWSA-N 1 3 335.456 0.738 20 0 ECADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N[C@H]3CCCN(CCCO)C3)cc2C1 ZINC000415961289 437882414 /nfs/dbraw/zinc/88/24/14/437882414.db2.gz OKWYANAOOAAWSW-CABCVRRESA-N 1 3 347.463 0.866 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416005764 437885287 /nfs/dbraw/zinc/88/52/87/437885287.db2.gz KEXCZHRMAZRHIS-GHMZBOCLSA-N 1 3 326.363 0.676 20 0 ECADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)CC[NH2+]CC2 ZINC000424221006 437905271 /nfs/dbraw/zinc/90/52/71/437905271.db2.gz BDHHMBSWNDXNMV-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424531508 437967228 /nfs/dbraw/zinc/96/72/28/437967228.db2.gz XBABYXMPVADJOC-YESZJQIVSA-N 1 3 342.443 0.197 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424549092 437973209 /nfs/dbraw/zinc/97/32/09/437973209.db2.gz QURGHSIOBLLSJI-BHYGNILZSA-N 1 3 344.459 0.430 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417031542 438015964 /nfs/dbraw/zinc/01/59/64/438015964.db2.gz DSHRKSXIVJPBMB-HOTGVXAUSA-N 1 3 325.501 0.701 20 0 ECADHO O=C(Nc1ccc(N2CCNCC2)cn1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000372093085 438030753 /nfs/dbraw/zinc/03/07/53/438030753.db2.gz BBHNXALGOKJVMO-AGUYFDCRSA-N 1 3 343.431 0.244 20 0 ECADHO C[C@@H](NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1)[C@H](C)[NH3+] ZINC000417450213 438051107 /nfs/dbraw/zinc/05/11/07/438051107.db2.gz BGQZWPBHBKXBNY-QWHCGFSZSA-N 1 3 335.452 0.513 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417430814 438049778 /nfs/dbraw/zinc/04/97/78/438049778.db2.gz QCMNSLXSBPYVNW-AWEZNQCLSA-N 1 3 341.500 0.555 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C[C@H]1C ZINC000347997712 437994621 /nfs/dbraw/zinc/99/46/21/437994621.db2.gz FNNIRQNMFWGHMZ-JJXSEGSLSA-N 1 3 338.496 0.917 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C[C@H]1C ZINC000347997712 437994628 /nfs/dbraw/zinc/99/46/28/437994628.db2.gz FNNIRQNMFWGHMZ-JJXSEGSLSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000348761634 438093739 /nfs/dbraw/zinc/09/37/39/438093739.db2.gz JHZKHPSEFXAZRV-WBVHZDCISA-N 1 3 348.491 0.840 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000348761634 438093743 /nfs/dbraw/zinc/09/37/43/438093743.db2.gz JHZKHPSEFXAZRV-WBVHZDCISA-N 1 3 348.491 0.840 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000348759525 438094284 /nfs/dbraw/zinc/09/42/84/438094284.db2.gz BHXQAWYJGORGFZ-HUUCEWRRSA-N 1 3 336.480 0.601 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000348759525 438094286 /nfs/dbraw/zinc/09/42/86/438094286.db2.gz BHXQAWYJGORGFZ-HUUCEWRRSA-N 1 3 336.480 0.601 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417438061 438052880 /nfs/dbraw/zinc/05/28/80/438052880.db2.gz IODSGCACZVCTJV-CVEARBPZSA-N 1 3 342.484 0.493 20 0 ECADHO COC(=O)CC[C@H]([NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000342698466 438052848 /nfs/dbraw/zinc/05/28/48/438052848.db2.gz UBEIIYYKOODWOL-MJBXVCDLSA-N 1 3 329.441 0.273 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC(C)(C)C[NH3+])c1 ZINC000417472394 438053130 /nfs/dbraw/zinc/05/31/30/438053130.db2.gz IPZOEBNYGKPWND-UHFFFAOYSA-N 1 3 335.452 0.515 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417625841 438063794 /nfs/dbraw/zinc/06/37/94/438063794.db2.gz NBFXCTAFRHFOOH-UHFFFAOYSA-N 1 3 344.525 0.701 20 0 ECADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000372354780 438075270 /nfs/dbraw/zinc/07/52/70/438075270.db2.gz FPZHIDTVSLGNTM-SFHVURJKSA-N 1 3 330.476 0.967 20 0 ECADHO COCCCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372367659 438079890 /nfs/dbraw/zinc/07/98/90/438079890.db2.gz HDAUPIVBBFXNAU-NVXWUHKLSA-N 1 3 340.512 0.628 20 0 ECADHO [NH3+]CCNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000418296272 438125986 /nfs/dbraw/zinc/12/59/86/438125986.db2.gz JQEXYBHGYUCYKF-INIZCTEOSA-N 1 3 346.479 0.584 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418326048 438130606 /nfs/dbraw/zinc/13/06/06/438130606.db2.gz XHOWWLMRTOAYHG-OAHLLOKOSA-N 1 3 325.501 0.973 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418406294 438140671 /nfs/dbraw/zinc/14/06/71/438140671.db2.gz KYRKCCFEWMHARK-OAGGEKHMSA-N 1 3 326.485 0.896 20 0 ECADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418678548 438174497 /nfs/dbraw/zinc/17/44/97/438174497.db2.gz VYAWWWOODAZJIC-CABCVRRESA-N 1 3 339.484 0.452 20 0 ECADHO O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418675670 438174746 /nfs/dbraw/zinc/17/47/46/438174746.db2.gz RVORDOTXRMNDNY-LHHMISFZSA-N 1 3 330.432 0.140 20 0 ECADHO C[C@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)F)CCN1C1CCN(C)CC1 ZINC000418742433 438180207 /nfs/dbraw/zinc/18/02/07/438180207.db2.gz RCRPLPYUGRGDPG-GXTWGEPZSA-N 1 3 347.454 0.779 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418805527 438193595 /nfs/dbraw/zinc/19/35/95/438193595.db2.gz BDORXFMEBNQYFE-APWZRJJASA-N 1 3 344.459 0.635 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000431284985 438152646 /nfs/dbraw/zinc/15/26/46/438152646.db2.gz SGRPLPIVBKXMIE-HNNXBMFYSA-N 1 3 341.500 0.618 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358128417 438161511 /nfs/dbraw/zinc/16/15/11/438161511.db2.gz KIDGSYNMVYAQGA-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358128417 438161516 /nfs/dbraw/zinc/16/15/16/438161516.db2.gz KIDGSYNMVYAQGA-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418608910 438165560 /nfs/dbraw/zinc/16/55/60/438165560.db2.gz ZKBSGKJWQINJSS-CRAIPNDOSA-N 1 3 334.464 0.921 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000418851409 438215913 /nfs/dbraw/zinc/21/59/13/438215913.db2.gz PUTOYYNQIQGCTF-CVEARBPZSA-N 1 3 332.448 0.096 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000418867702 438227786 /nfs/dbraw/zinc/22/77/86/438227786.db2.gz MNXSLNQYUNGTOF-MRXNPFEDSA-N 1 3 338.496 0.858 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000418873748 438230490 /nfs/dbraw/zinc/23/04/90/438230490.db2.gz YQSJJAXPABLNLU-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@H]1[NH3+] ZINC000418875580 438230760 /nfs/dbraw/zinc/23/07/60/438230760.db2.gz KULWBSBNEXHLBH-VNQPRFMTSA-N 1 3 332.448 0.081 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418881244 438234487 /nfs/dbraw/zinc/23/44/87/438234487.db2.gz WWWQYRURPLDGIC-SJORKVTESA-N 1 3 346.475 0.534 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418882752 438234904 /nfs/dbraw/zinc/23/49/04/438234904.db2.gz ZKADQXCGRNXRTP-IAGOWNOFSA-N 1 3 346.475 0.391 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000351010630 438246226 /nfs/dbraw/zinc/24/62/26/438246226.db2.gz RIJFPUFYWRQTJU-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000432566117 438202610 /nfs/dbraw/zinc/20/26/10/438202610.db2.gz CBCSGRQMRYNSBW-QGZVFWFLSA-N 1 3 338.496 0.384 20 0 ECADHO CN1CCN(CCCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000432566117 438202614 /nfs/dbraw/zinc/20/26/14/438202614.db2.gz CBCSGRQMRYNSBW-QGZVFWFLSA-N 1 3 338.496 0.384 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000418842803 438210096 /nfs/dbraw/zinc/21/00/96/438210096.db2.gz BVHGYUWIDQTMSR-DLBZAZTESA-N 1 3 346.475 0.343 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCN1C ZINC000418967026 438267860 /nfs/dbraw/zinc/26/78/60/438267860.db2.gz RFCQTEMNGSGYSZ-RDJZCZTQSA-N 1 3 346.475 0.963 20 0 ECADHO C[N@H+](CCCCNC(=O)C(=O)NC[C@H](N)c1ccccc1)C1CC1 ZINC000418996808 438278055 /nfs/dbraw/zinc/27/80/55/438278055.db2.gz SSXFVDIINPXFDT-INIZCTEOSA-N 1 3 332.448 0.793 20 0 ECADHO C[N@@H+](CCCCNC(=O)C(=O)NC[C@H](N)c1ccccc1)C1CC1 ZINC000418996808 438278058 /nfs/dbraw/zinc/27/80/58/438278058.db2.gz SSXFVDIINPXFDT-INIZCTEOSA-N 1 3 332.448 0.793 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419028917 438296444 /nfs/dbraw/zinc/29/64/44/438296444.db2.gz QZOOCJKMQQLHRP-OWCLPIDISA-N 1 3 338.496 0.729 20 0 ECADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000351526955 438278871 /nfs/dbraw/zinc/27/88/71/438278871.db2.gz YCAWZEZVZUFSTH-IAGOWNOFSA-N 1 3 344.459 0.635 20 0 ECADHO Cc1ccc([C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000351539380 438282511 /nfs/dbraw/zinc/28/25/11/438282511.db2.gz MSSLYZFCXRBCPA-JKSUJKDBSA-N 1 3 332.448 0.582 20 0 ECADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000368104124 438288244 /nfs/dbraw/zinc/28/82/44/438288244.db2.gz BIHTVRKZRLMFCG-HNNXBMFYSA-N 1 3 334.464 0.556 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419022860 438291660 /nfs/dbraw/zinc/29/16/60/438291660.db2.gz IVYIVLRBRLQAMW-UGUYLWEFSA-N 1 3 338.496 0.666 20 0 ECADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000358745738 438293967 /nfs/dbraw/zinc/29/39/67/438293967.db2.gz FSDZPDPTKYBBOR-KRWDZBQOSA-N 1 3 335.496 0.777 20 0 ECADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1 ZINC000419024347 438294088 /nfs/dbraw/zinc/29/40/88/438294088.db2.gz KPFUFONFMGGFNJ-XHSDSOJGSA-N 1 3 338.496 0.681 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000419122324 438332538 /nfs/dbraw/zinc/33/25/38/438332538.db2.gz SYTWMULQMIXUIA-OAHLLOKOSA-N 1 3 326.485 0.857 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC000358787799 438301807 /nfs/dbraw/zinc/30/18/07/438301807.db2.gz ONYDKTJJEBVSCP-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[N@@H+](CC)C3)C2)CC1 ZINC000358787799 438301810 /nfs/dbraw/zinc/30/18/10/438301810.db2.gz ONYDKTJJEBVSCP-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419073799 438312013 /nfs/dbraw/zinc/31/20/13/438312013.db2.gz CSFVQQALOTUWNP-HRCADAONSA-N 1 3 338.496 0.871 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419076376 438313656 /nfs/dbraw/zinc/31/36/56/438313656.db2.gz HLIXVMHARZJZGK-CQSZACIVSA-N 1 3 326.485 0.810 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351674948 438315753 /nfs/dbraw/zinc/31/57/53/438315753.db2.gz OKTCGPJZMXMXKG-WCVJEAGWSA-N 1 3 338.496 0.774 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000420117264 438388154 /nfs/dbraw/zinc/38/81/54/438388154.db2.gz HDYTUFJKHPGMQN-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000420117264 438388158 /nfs/dbraw/zinc/38/81/58/438388158.db2.gz HDYTUFJKHPGMQN-HOTGVXAUSA-N 1 3 338.496 0.810 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)C[C@H]21 ZINC000378463126 438389534 /nfs/dbraw/zinc/38/95/34/438389534.db2.gz ZXOSIEFTKNTGEX-NVXWUHKLSA-N 1 3 337.512 0.748 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419143367 438346986 /nfs/dbraw/zinc/34/69/86/438346986.db2.gz WZGWHUVFSSBFNT-XHSDSOJGSA-N 1 3 332.448 0.792 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419175540 438348371 /nfs/dbraw/zinc/34/83/71/438348371.db2.gz XUXVCBXNSHGSJX-RDJZCZTQSA-N 1 3 348.491 0.970 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419175588 438349037 /nfs/dbraw/zinc/34/90/37/438349037.db2.gz XYRUESOFYLNNRH-MRXNPFEDSA-N 1 3 334.464 0.676 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419374152 438355286 /nfs/dbraw/zinc/35/52/86/438355286.db2.gz NWKHVOLAZGZQDY-INIZCTEOSA-N 1 3 346.475 0.301 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])N1CCC(C)CC1 ZINC000419373677 438355324 /nfs/dbraw/zinc/35/53/24/438355324.db2.gz OQQCKPLLLCEUEK-HUUCEWRRSA-N 1 3 326.485 0.713 20 0 ECADHO CCC[NH+]1CCC(N2CCN(C(=O)CNCCOC)CC2)CC1 ZINC000378201513 438361551 /nfs/dbraw/zinc/36/15/51/438361551.db2.gz DQDQHQDBJFUFGX-UHFFFAOYSA-N 1 3 326.485 0.241 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419808123 438370941 /nfs/dbraw/zinc/37/09/41/438370941.db2.gz UJMNWYRPOAPKTC-CQSZACIVSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419848754 438373181 /nfs/dbraw/zinc/37/31/81/438373181.db2.gz WWVMHSSHKYDKBX-ZDUSSCGKSA-N 1 3 338.477 0.507 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419967646 438379322 /nfs/dbraw/zinc/37/93/22/438379322.db2.gz BMWILXAWJVATDR-HNNXBMFYSA-N 1 3 326.485 0.809 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420042482 438384107 /nfs/dbraw/zinc/38/41/07/438384107.db2.gz QUKUTOKZDYEALG-CHWSQXEVSA-N 1 3 328.457 0.016 20 0 ECADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000420337721 438400734 /nfs/dbraw/zinc/40/07/34/438400734.db2.gz WYQJJZJTFVEMKL-YESZJQIVSA-N 1 3 336.480 0.435 20 0 ECADHO Cn1cc(S(=O)(=O)NCCN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000420338939 438401466 /nfs/dbraw/zinc/40/14/66/438401466.db2.gz YINMGXPEPITMIE-KGLIPLIRSA-N 1 3 341.481 0.020 20 0 ECADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NC(=O)NCC(F)(F)F ZINC000420340621 438402070 /nfs/dbraw/zinc/40/20/70/438402070.db2.gz MXGYSNZTLGTPDR-WDEREUQCSA-N 1 3 336.358 0.696 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@H](C[NH3+])C(C)(C)C)C1 ZINC000420356314 438402897 /nfs/dbraw/zinc/40/28/97/438402897.db2.gz GBNCECSJWKNKCP-HUUCEWRRSA-N 1 3 328.501 0.422 20 0 ECADHO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@H](CN)C(C)(C)C)C1 ZINC000420356314 438402902 /nfs/dbraw/zinc/40/29/02/438402902.db2.gz GBNCECSJWKNKCP-HUUCEWRRSA-N 1 3 328.501 0.422 20 0 ECADHO CSC1(CNC(=O)[C@@H]2CN3CCN2CCC3)CC[NH+](C)CC1 ZINC000359297243 438408715 /nfs/dbraw/zinc/40/87/15/438408715.db2.gz RTDREAKCIQXINK-AWEZNQCLSA-N 1 3 326.510 0.320 20 0 ECADHO CC(C)[C@@H](CNC(=O)NCC[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000352655290 438456109 /nfs/dbraw/zinc/45/61/09/438456109.db2.gz HQQAMUHGXHSSLB-MRXNPFEDSA-N 1 3 325.501 0.652 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000369783168 438515110 /nfs/dbraw/zinc/51/51/10/438515110.db2.gz RUJMLDBOQHUTBP-OAHLLOKOSA-N 1 3 334.468 1.537 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000422272128 438541117 /nfs/dbraw/zinc/54/11/17/438541117.db2.gz RMWKORXMGILXOW-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422111687 438521197 /nfs/dbraw/zinc/52/11/97/438521197.db2.gz YLADDGKKFBGLIF-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000423146597 438643040 /nfs/dbraw/zinc/64/30/40/438643040.db2.gz AXWVYCCWBJVSBB-INIZCTEOSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423164785 438644576 /nfs/dbraw/zinc/64/45/76/438644576.db2.gz AGFXIKYSZHERDG-YJBOKZPZSA-N 1 3 336.480 0.661 20 0 ECADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1)N(C)C ZINC000413787444 438696163 /nfs/dbraw/zinc/69/61/63/438696163.db2.gz GHFUPMMXECEZJN-KBPBESRZSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)CCC1)N(C)C ZINC000413787444 438696167 /nfs/dbraw/zinc/69/61/67/438696167.db2.gz GHFUPMMXECEZJN-KBPBESRZSA-N 1 3 326.485 0.822 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](N(C)C)C2)[C@H](C)C1 ZINC000410789066 438657175 /nfs/dbraw/zinc/65/71/75/438657175.db2.gz HBRZIWLRPZUTDU-PMPSAXMXSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](N(C)C)C2)[C@H](C)C1 ZINC000410789066 438657177 /nfs/dbraw/zinc/65/71/77/438657177.db2.gz HBRZIWLRPZUTDU-PMPSAXMXSA-N 1 3 338.496 0.728 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000414881871 438719228 /nfs/dbraw/zinc/71/92/28/438719228.db2.gz LGNQKHXVFIEOPL-OAHLLOKOSA-N 1 3 335.452 0.652 20 0 ECADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000575228115 438743339 /nfs/dbraw/zinc/74/33/39/438743339.db2.gz SRESGNHNFVPBKY-UHFFFAOYSA-N 1 3 326.485 0.585 20 0 ECADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000575228115 438743341 /nfs/dbraw/zinc/74/33/41/438743341.db2.gz SRESGNHNFVPBKY-UHFFFAOYSA-N 1 3 326.485 0.585 20 0 ECADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)CN1CCOCC1 ZINC000576979631 438806943 /nfs/dbraw/zinc/80/69/43/438806943.db2.gz HGVWKZTTZNXPQW-GOSISDBHSA-N 1 3 334.464 0.581 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCCC1 ZINC000555680521 438775957 /nfs/dbraw/zinc/77/59/57/438775957.db2.gz NFIGGDSSRYQVLP-HNNXBMFYSA-N 1 3 336.480 0.674 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000576388794 438781033 /nfs/dbraw/zinc/78/10/33/438781033.db2.gz KBRSBBXCQZMXRB-CAOSSQGBSA-N 1 3 334.464 0.140 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCc4ccccc4[C@@H]3C[NH3+])C[C@@H]21 ZINC000516182369 438896450 /nfs/dbraw/zinc/89/64/50/438896450.db2.gz UPNSYVBSJYCZJR-PVAVHDDUSA-N 1 3 342.443 0.234 20 0 ECADHO COC(=O)CCCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595909782 438883973 /nfs/dbraw/zinc/88/39/73/438883973.db2.gz DHQCWAGQOIRAHU-CQSZACIVSA-N 1 3 335.452 0.952 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)N[C@@H](C)C[NH+](C)C)C2)CC1 ZINC000515899525 438885597 /nfs/dbraw/zinc/88/55/97/438885597.db2.gz FMFZNHGTQOAJLJ-JKSUJKDBSA-N 1 3 325.501 0.746 20 0 ECADHO C[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)CN1CCN(C)CC1 ZINC000565603185 438964445 /nfs/dbraw/zinc/96/44/45/438964445.db2.gz IJXUUYCKJFLHHM-HNNXBMFYSA-N 1 3 325.501 0.640 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000579465442 439010802 /nfs/dbraw/zinc/01/08/02/439010802.db2.gz ZEFPEGOFZQNUSI-QZTJIDSGSA-N 1 3 326.529 0.552 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000579465442 439010806 /nfs/dbraw/zinc/01/08/06/439010806.db2.gz ZEFPEGOFZQNUSI-QZTJIDSGSA-N 1 3 326.529 0.552 20 0 ECADHO O=C(C[C@H]1CNCCO1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000579956951 439050272 /nfs/dbraw/zinc/05/02/72/439050272.db2.gz XZUNDISOFIOTAQ-HNNXBMFYSA-N 1 3 348.447 0.288 20 0 ECADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000519660443 439053299 /nfs/dbraw/zinc/05/32/99/439053299.db2.gz ZIQDZXGNILLKND-VNQPRFMTSA-N 1 3 345.447 0.202 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579462169 439011315 /nfs/dbraw/zinc/01/13/15/439011315.db2.gz MYSKTKFYHAWITH-QBPKDAKJSA-N 1 3 348.491 0.530 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000519548006 439039563 /nfs/dbraw/zinc/03/95/63/439039563.db2.gz POWHBSHWYCWGMB-QGZVFWFLSA-N 1 3 344.459 0.672 20 0 ECADHO C[S@@](=O)C1(C(=O)N2CC[C@@H](CN3CCCCC3)C2)CC[NH2+]CC1 ZINC000602485049 439097998 /nfs/dbraw/zinc/09/79/98/439097998.db2.gz MZCLAVYWDMYICR-NPMXOYFQSA-N 1 3 341.521 0.822 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(=O)OC)CC2)CC1 ZINC000566954800 439101012 /nfs/dbraw/zinc/10/10/12/439101012.db2.gz AXUJUHQOPHNSTD-UHFFFAOYSA-N 1 3 325.453 0.862 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(OC)n(C)n3)CC2)CC1 ZINC000580582196 439109079 /nfs/dbraw/zinc/10/90/79/439109079.db2.gz OTBWHZBMRSPGQZ-UHFFFAOYSA-N 1 3 349.479 1.564 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602577504 439113122 /nfs/dbraw/zinc/11/31/22/439113122.db2.gz VBERADTYQBLDHU-HOTGVXAUSA-N 1 3 333.432 0.905 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602577504 439113128 /nfs/dbraw/zinc/11/31/28/439113128.db2.gz VBERADTYQBLDHU-HOTGVXAUSA-N 1 3 333.432 0.905 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460062493 439069502 /nfs/dbraw/zinc/06/95/02/439069502.db2.gz MNBRGHHZHONOSE-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC(C[NH2+]CCC(=O)NC(N)=O)(N2CCCCC2)CC1 ZINC000591744590 439081039 /nfs/dbraw/zinc/08/10/39/439081039.db2.gz DLVQJWVRALRPCZ-UHFFFAOYSA-N 1 3 325.457 0.111 20 0 ECADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)C1 ZINC000567406948 439140032 /nfs/dbraw/zinc/14/00/32/439140032.db2.gz XJHAOXYQUUXLKS-SJORKVTESA-N 1 3 338.496 0.370 20 0 ECADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](N3CCOCC3)CC2)C1 ZINC000567406948 439140036 /nfs/dbraw/zinc/14/00/36/439140036.db2.gz XJHAOXYQUUXLKS-SJORKVTESA-N 1 3 338.496 0.370 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000567455403 439143317 /nfs/dbraw/zinc/14/33/17/439143317.db2.gz LTVZPEBWCNWDOB-CYBMUJFWSA-N 1 3 347.454 0.699 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000580904582 439145805 /nfs/dbraw/zinc/14/58/05/439145805.db2.gz YHIRIFLLISAVJC-XHSDSOJGSA-N 1 3 338.496 0.809 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000567644339 439162452 /nfs/dbraw/zinc/16/24/52/439162452.db2.gz PHPQSGDLOHMDGE-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO Cc1cc(NC(=O)CCNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)no1 ZINC000567689278 439163528 /nfs/dbraw/zinc/16/35/28/439163528.db2.gz GTJVQSJADQRMMW-HUUCEWRRSA-N 1 3 336.436 1.279 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581203222 439184289 /nfs/dbraw/zinc/18/42/89/439184289.db2.gz ZOXKYQHLTNNMIZ-LXTVHRRPSA-N 1 3 337.468 0.203 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581203222 439184292 /nfs/dbraw/zinc/18/42/92/439184292.db2.gz ZOXKYQHLTNNMIZ-LXTVHRRPSA-N 1 3 337.468 0.203 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000581243100 439187293 /nfs/dbraw/zinc/18/72/93/439187293.db2.gz IFDMVEGVETVGBP-UHFFFAOYSA-N 1 3 340.512 0.929 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000567917281 439195953 /nfs/dbraw/zinc/19/59/53/439195953.db2.gz DMMOYGIMURSSFN-KBPBESRZSA-N 1 3 339.484 0.369 20 0 ECADHO NC(=O)NC(=O)CCNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000592431540 439227354 /nfs/dbraw/zinc/22/73/54/439227354.db2.gz BVPIQIRZEZSZFD-OAHLLOKOSA-N 1 3 334.420 0.318 20 0 ECADHO NC(=O)NC(=O)CCNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000592431540 439227359 /nfs/dbraw/zinc/22/73/59/439227359.db2.gz BVPIQIRZEZSZFD-OAHLLOKOSA-N 1 3 334.420 0.318 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000581385254 439206949 /nfs/dbraw/zinc/20/69/49/439206949.db2.gz UYGQXNXJRPKBKR-GOEBONIOSA-N 1 3 338.496 0.633 20 0 ECADHO CC1CCN(C[C@H](O)C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000568089198 439212675 /nfs/dbraw/zinc/21/26/75/439212675.db2.gz LEHASBIQOVOPTF-XMTFNYHQSA-N 1 3 343.512 0.139 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000581482742 439218161 /nfs/dbraw/zinc/21/81/61/439218161.db2.gz YULOPGWZSLIHEN-OAGGEKHMSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC[NH2+]1 ZINC000568236049 439228108 /nfs/dbraw/zinc/22/81/08/439228108.db2.gz YFAMYJROFWOQPF-HUUCEWRRSA-N 1 3 336.480 0.720 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)COC2CC[NH2+]CC2)CC1 ZINC000568263457 439232147 /nfs/dbraw/zinc/23/21/47/439232147.db2.gz WJIDVFWWADOSFY-OAHLLOKOSA-N 1 3 326.485 0.145 20 0 ECADHO CN1CCN(CCCCNC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000527327664 439266114 /nfs/dbraw/zinc/26/61/14/439266114.db2.gz MKTUHRPTMNZCHB-UHFFFAOYSA-N 1 3 325.501 0.798 20 0 ECADHO CN(C)CCOc1ccc(CCNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000581954562 439271159 /nfs/dbraw/zinc/27/11/59/439271159.db2.gz BWNBAWCHOOIAPK-UHFFFAOYSA-N 1 3 346.435 0.150 20 0 ECADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)NC1CNC1 ZINC000569441562 439332939 /nfs/dbraw/zinc/33/29/39/439332939.db2.gz VHCCOBFZHQKUEY-KBPBESRZSA-N 1 3 344.459 0.347 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582476691 439338450 /nfs/dbraw/zinc/33/84/50/439338450.db2.gz GTJAYTVKJGOGHH-UKRRQHHQSA-N 1 3 330.432 0.101 20 0 ECADHO C[C@@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582476691 439338454 /nfs/dbraw/zinc/33/84/54/439338454.db2.gz GTJAYTVKJGOGHH-UKRRQHHQSA-N 1 3 330.432 0.101 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCNC(=O)[C@@H]3C)CC2)CC1 ZINC000569621459 439349928 /nfs/dbraw/zinc/34/99/28/439349928.db2.gz NCRGCXRWNUIBCM-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000569699414 439355441 /nfs/dbraw/zinc/35/54/41/439355441.db2.gz YOLJFAFKYRFAJN-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](NCC(=O)N1CCNCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570035790 439385318 /nfs/dbraw/zinc/38/53/18/439385318.db2.gz USRGDETYMRYGOF-AEFFLSMTSA-N 1 3 330.476 0.918 20 0 ECADHO C[C@@H](NCC(=O)N1CCNCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570035790 439385322 /nfs/dbraw/zinc/38/53/22/439385322.db2.gz USRGDETYMRYGOF-AEFFLSMTSA-N 1 3 330.476 0.918 20 0 ECADHO C[NH+](C)CCOc1ccccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583332966 439452556 /nfs/dbraw/zinc/45/25/56/439452556.db2.gz ARMXWFIUMZWJHW-HIFRSBDPSA-N 1 3 346.431 0.011 20 0 ECADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000583018762 439408770 /nfs/dbraw/zinc/40/87/70/439408770.db2.gz RILWJUBESKWXPH-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CCOC(=O)C[C@@H](O)CN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000599439900 439466971 /nfs/dbraw/zinc/46/69/71/439466971.db2.gz ANKGULQNHWRLKW-QGZVFWFLSA-N 1 3 341.496 0.793 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000583743169 439505550 /nfs/dbraw/zinc/50/55/50/439505550.db2.gz PMBRKHFTVLTNKH-OAHLLOKOSA-N 1 3 330.498 0.044 20 0 ECADHO C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCCN1 ZINC000583928526 439527791 /nfs/dbraw/zinc/52/77/91/439527791.db2.gz BCQROULVSXSGJZ-HOTGVXAUSA-N 1 3 346.479 0.636 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000584052290 439543621 /nfs/dbraw/zinc/54/36/21/439543621.db2.gz AYHQZJVQUHBIJC-ILXRZTDVSA-N 1 3 337.395 0.749 20 0 ECADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000572630230 439599706 /nfs/dbraw/zinc/59/97/06/439599706.db2.gz ISPWGXDJDWKRQR-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000572630230 439599710 /nfs/dbraw/zinc/59/97/10/439599710.db2.gz ISPWGXDJDWKRQR-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000584711511 439610337 /nfs/dbraw/zinc/61/03/37/439610337.db2.gz VYTHMSJFKUZRKV-XUWVNRHRSA-N 1 3 338.496 0.666 20 0 ECADHO COC(=O)CCCCN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000600711048 439693361 /nfs/dbraw/zinc/69/33/61/439693361.db2.gz QNFANRREJXUOBX-GJZGRUSLSA-N 1 3 338.452 0.550 20 0 ECADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613997243 439767653 /nfs/dbraw/zinc/76/76/53/439767653.db2.gz VKAPEPGVYFVOHK-XGXHKWSGSA-N 1 3 342.487 0.917 20 0 ECADHO CN(C)[C@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1O ZINC000615078847 439793378 /nfs/dbraw/zinc/79/33/78/439793378.db2.gz BVDJQTVHUXOGRF-SQNIBIBYSA-N 1 3 331.460 0.999 20 0 ECADHO CN1CCN(CC2CN(C(=O)C3C[NH+](C4CCCCC4)C3)C2)CC1 ZINC000615280694 439798223 /nfs/dbraw/zinc/79/82/23/439798223.db2.gz HNLMJGKPSOWVFV-UHFFFAOYSA-N 1 3 334.508 0.957 20 0 ECADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1(C)C ZINC000646675473 439859908 /nfs/dbraw/zinc/85/99/08/439859908.db2.gz AVCBTZKDQCHABR-KBXCAEBGSA-N 1 3 347.463 0.962 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652486922 439866955 /nfs/dbraw/zinc/86/69/55/439866955.db2.gz HHCAGMXSLDCWQY-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652486922 439866958 /nfs/dbraw/zinc/86/69/58/439866958.db2.gz HHCAGMXSLDCWQY-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662756474 439879264 /nfs/dbraw/zinc/87/92/64/439879264.db2.gz IBDTWGZXYCPZKV-ROUUACIJSA-N 1 3 346.475 0.414 20 0 ECADHO [NH3+]CCn1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)nn1 ZINC000662638471 439829348 /nfs/dbraw/zinc/82/93/48/439829348.db2.gz QURXWGSSVPQFHY-UHFFFAOYSA-N 1 3 343.435 0.274 20 0 ECADHO CCO[C@H]1C[C@](N)(C(=O)NCCN(C)CCC[NH+](C)C)C1(C)C ZINC000662632172 439829866 /nfs/dbraw/zinc/82/98/66/439829866.db2.gz NPFJYXXGRDXKQU-YOEHRIQHSA-N 1 3 328.501 0.519 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000652408805 439840336 /nfs/dbraw/zinc/84/03/36/439840336.db2.gz ZHTICHSENGPPII-MRXNPFEDSA-N 1 3 340.512 0.881 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000652408805 439840339 /nfs/dbraw/zinc/84/03/39/439840339.db2.gz ZHTICHSENGPPII-MRXNPFEDSA-N 1 3 340.512 0.881 20 0 ECADHO CN(C)CCn1cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cn1 ZINC000631386684 439842543 /nfs/dbraw/zinc/84/25/43/439842543.db2.gz QCHWHKKBGSUTEB-HNNXBMFYSA-N 1 3 349.479 0.675 20 0 ECADHO O=C(NC[C@@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000662760287 439881561 /nfs/dbraw/zinc/88/15/61/439881561.db2.gz GLZSYRQDCXBBKX-HOCLYGCPSA-N 1 3 348.491 0.768 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626804736 439886455 /nfs/dbraw/zinc/88/64/55/439886455.db2.gz UFTHHOMCXRQVND-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626804736 439886460 /nfs/dbraw/zinc/88/64/60/439886460.db2.gz UFTHHOMCXRQVND-UHFFFAOYSA-N 1 3 348.447 0.955 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000617506284 439899554 /nfs/dbraw/zinc/89/95/54/439899554.db2.gz ITLNFEURJWHXEO-CVEARBPZSA-N 1 3 328.501 0.343 20 0 ECADHO CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617505528 439901648 /nfs/dbraw/zinc/90/16/48/439901648.db2.gz GLHZRJVWVHWJPF-WMLDXEAASA-N 1 3 326.485 0.633 20 0 ECADHO CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617505528 439901650 /nfs/dbraw/zinc/90/16/50/439901650.db2.gz GLHZRJVWVHWJPF-WMLDXEAASA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H](CNS(=O)(=O)CCCN1CCN(C)CC1)[NH+]1CCCC1 ZINC000631740801 439905611 /nfs/dbraw/zinc/90/56/11/439905611.db2.gz IHALLAALHZIZBW-OAHLLOKOSA-N 1 3 332.514 0.028 20 0 ECADHO O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858870 439914855 /nfs/dbraw/zinc/91/48/55/439914855.db2.gz JBGXZTUZNDLHDT-DLBZAZTESA-N 1 3 349.500 0.965 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662858663 439915864 /nfs/dbraw/zinc/91/58/64/439915864.db2.gz HEDUOXFNESIYJO-SCTDSRPQSA-N 1 3 345.443 0.105 20 0 ECADHO NC(C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(F)(F)F ZINC000662861184 439916729 /nfs/dbraw/zinc/91/67/29/439916729.db2.gz YAXISHGKZNFWOE-OLZOCXBDSA-N 1 3 331.338 0.759 20 0 ECADHO NC(C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(F)(F)F ZINC000662861184 439916734 /nfs/dbraw/zinc/91/67/34/439916734.db2.gz YAXISHGKZNFWOE-OLZOCXBDSA-N 1 3 331.338 0.759 20 0 ECADHO CN(C)CCCS(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000631765190 439916904 /nfs/dbraw/zinc/91/69/04/439916904.db2.gz CQUOZQQTPFYXJO-UHFFFAOYSA-N 1 3 343.493 0.998 20 0 ECADHO Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCOCC2)ccc1CN(C)C ZINC000626860546 439917275 /nfs/dbraw/zinc/91/72/75/439917275.db2.gz WSDMEACPCJHAQI-UHFFFAOYSA-N 1 3 348.447 0.619 20 0 ECADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000642330373 439971760 /nfs/dbraw/zinc/97/17/60/439971760.db2.gz BCPJSOJYJPUELA-LSDHHAIUSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000626966145 439973916 /nfs/dbraw/zinc/97/39/16/439973916.db2.gz QXWLHKKLOSEXMU-XJKSGUPXSA-N 1 3 347.463 0.528 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC[C@H]1[NH3+] ZINC000642329764 439974432 /nfs/dbraw/zinc/97/44/32/439974432.db2.gz IKDUMDRXQSYVPJ-ZJIFWQFVSA-N 1 3 338.496 0.809 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000636567340 439936894 /nfs/dbraw/zinc/93/68/94/439936894.db2.gz CMMMWPJBICECQX-UAGQMJEPSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000636567340 439936899 /nfs/dbraw/zinc/93/68/99/439936899.db2.gz CMMMWPJBICECQX-UAGQMJEPSA-N 1 3 348.491 0.863 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642104424 439947750 /nfs/dbraw/zinc/94/77/50/439947750.db2.gz JYNXKZAMRGUAII-IAGOWNOFSA-N 1 3 346.475 0.534 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000642094833 439948192 /nfs/dbraw/zinc/94/81/92/439948192.db2.gz ALFSYGWZVMGGRR-IAGOWNOFSA-N 1 3 346.475 0.534 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1=O ZINC000662943735 439961258 /nfs/dbraw/zinc/96/12/58/439961258.db2.gz BNBUBJYPRXCCAZ-GBJTYRQASA-N 1 3 340.443 0.217 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1=O ZINC000662943735 439961262 /nfs/dbraw/zinc/96/12/62/439961262.db2.gz BNBUBJYPRXCCAZ-GBJTYRQASA-N 1 3 340.443 0.217 20 0 ECADHO NC1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC1 ZINC000663017163 439993009 /nfs/dbraw/zinc/99/30/09/439993009.db2.gz IPPGSMMTMZCUQH-CYBMUJFWSA-N 1 3 332.452 0.407 20 0 ECADHO NCCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640844 439998012 /nfs/dbraw/zinc/99/80/12/439998012.db2.gz BFFSKSJAZGBPBA-YESZJQIVSA-N 1 3 344.459 0.478 20 0 ECADHO NCCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640844 439998020 /nfs/dbraw/zinc/99/80/20/439998020.db2.gz BFFSKSJAZGBPBA-YESZJQIVSA-N 1 3 344.459 0.478 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627161373 440026230 /nfs/dbraw/zinc/02/62/30/440026230.db2.gz KMIYLAJLJBLTRL-AWEZNQCLSA-N 1 3 328.457 0.247 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000636672932 439987471 /nfs/dbraw/zinc/98/74/71/439987471.db2.gz OAJSPWBXNWGLJT-WBVHZDCISA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000636672932 439987478 /nfs/dbraw/zinc/98/74/78/439987478.db2.gz OAJSPWBXNWGLJT-WBVHZDCISA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000636672932 439987485 /nfs/dbraw/zinc/98/74/85/439987485.db2.gz OAJSPWBXNWGLJT-WBVHZDCISA-N 1 3 348.491 0.720 20 0 ECADHO NCC(=O)N1CCC[C@H](CN(Cc2cccnc2)C[C@@H]2CC[NH2+]C2)C1 ZINC000647520567 440061109 /nfs/dbraw/zinc/06/11/09/440061109.db2.gz PQHDVRKCMULMBD-QZTJIDSGSA-N 1 3 345.491 0.690 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642940051 440067720 /nfs/dbraw/zinc/06/77/20/440067720.db2.gz IUNNAPMAJFHPAB-ZBFHGGJFSA-N 1 3 332.448 0.430 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653116521 440070751 /nfs/dbraw/zinc/07/07/51/440070751.db2.gz KAUQCBKGQRXIDS-HZPDHXFCSA-N 1 3 334.464 0.284 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000642985485 440075242 /nfs/dbraw/zinc/07/52/42/440075242.db2.gz WXTPXUFQBUGIEM-XUWVNRHRSA-N 1 3 336.480 0.574 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643015069 440081974 /nfs/dbraw/zinc/08/19/74/440081974.db2.gz AMVLWSGKFLECFD-WRQOLXDDSA-N 1 3 348.491 0.576 20 0 ECADHO FC(F)(F)[C@H](CNCc1nc2c(s1)CNCC2)N1CC[NH2+]CC1 ZINC000663499917 440085281 /nfs/dbraw/zinc/08/52/81/440085281.db2.gz XJRUEZYCBGCKIH-LBPRGKRZSA-N 1 3 349.426 0.715 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)C[NH2+]1 ZINC000627205061 440043564 /nfs/dbraw/zinc/04/35/64/440043564.db2.gz LNCKCPQDYJNMLX-CABCVRRESA-N 1 3 325.501 0.842 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000642808203 440047186 /nfs/dbraw/zinc/04/71/86/440047186.db2.gz IEIOPOZRLFEVEU-CJNGLKHVSA-N 1 3 332.448 0.477 20 0 ECADHO CN1CCN(CC2CCN(C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000636989966 440121991 /nfs/dbraw/zinc/12/19/91/440121991.db2.gz YPDVBRSQAWNLMD-KRWDZBQOSA-N 1 3 337.512 0.798 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@H]1CCCC[NH2+]1)C(=O)NCCN(C)C ZINC000637000998 440126250 /nfs/dbraw/zinc/12/62/50/440126250.db2.gz DYYSLGORZFSCQD-CABCVRRESA-N 1 3 341.500 0.520 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663630857 440133155 /nfs/dbraw/zinc/13/31/55/440133155.db2.gz QRAXJHZBXDZYCW-DOTOQJQBSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663630857 440133160 /nfs/dbraw/zinc/13/31/60/440133160.db2.gz QRAXJHZBXDZYCW-DOTOQJQBSA-N 1 3 338.496 0.959 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000658731797 440093321 /nfs/dbraw/zinc/09/33/21/440093321.db2.gz HKNYRVBVZGJZQM-IAGOWNOFSA-N 1 3 348.491 0.770 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C[C@H]2CSCCN2)C1 ZINC000653260725 440104432 /nfs/dbraw/zinc/10/44/32/440104432.db2.gz KGDXVZMGVSLZRL-BARDWOONSA-N 1 3 327.494 0.969 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CNC[C@H]2CCCO2)C1 ZINC000653267004 440104949 /nfs/dbraw/zinc/10/49/49/440104949.db2.gz JFDGBXOUPOHNII-FPCVCCKLSA-N 1 3 325.453 0.642 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653426051 440167380 /nfs/dbraw/zinc/16/73/80/440167380.db2.gz ITALFEOADYMGOG-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CCN1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000653429885 440168303 /nfs/dbraw/zinc/16/83/03/440168303.db2.gz QATCGJRKAWYXFI-OAHLLOKOSA-N 1 3 336.480 0.697 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CCN1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000653429885 440168308 /nfs/dbraw/zinc/16/83/08/440168308.db2.gz QATCGJRKAWYXFI-OAHLLOKOSA-N 1 3 336.480 0.697 20 0 ECADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCCS1(=O)=O ZINC000643468750 440175649 /nfs/dbraw/zinc/17/56/49/440175649.db2.gz RHUWCHJRSUGTOX-GOEBONIOSA-N 1 3 325.478 0.960 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643513905 440192367 /nfs/dbraw/zinc/19/23/67/440192367.db2.gz LMEYRRSFEPETMR-MAUKXSAKSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627428844 440197153 /nfs/dbraw/zinc/19/71/53/440197153.db2.gz PXKDPWJONYBXLL-CABCVRRESA-N 1 3 336.480 0.624 20 0 ECADHO COCCN(C)CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663937236 440197173 /nfs/dbraw/zinc/19/71/73/440197173.db2.gz FJQHFAAYNQBYDJ-OAHLLOKOSA-N 1 3 330.473 0.317 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000653392218 440150221 /nfs/dbraw/zinc/15/02/21/440150221.db2.gz WRFCBTYZBSSGIJ-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000653392218 440150224 /nfs/dbraw/zinc/15/02/24/440150224.db2.gz WRFCBTYZBSSGIJ-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO O=S1(=O)CCN(C2CCN(CCCC3CC[NH2+]CC3)CC2)CC1 ZINC000647991246 440208724 /nfs/dbraw/zinc/20/87/24/440208724.db2.gz PGCCQJWFGHQETC-UHFFFAOYSA-N 1 3 343.537 0.961 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCC1 ZINC000643552850 440211996 /nfs/dbraw/zinc/21/19/96/440211996.db2.gz RPGVOSGDNNCFAV-RRFJBIMHSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643591824 440214234 /nfs/dbraw/zinc/21/42/34/440214234.db2.gz ODBLOKCDXMACGW-ZBFHGGJFSA-N 1 3 345.447 0.459 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](O)C(F)(F)F ZINC000637265903 440219325 /nfs/dbraw/zinc/21/93/25/440219325.db2.gz SSCJGFYZVKLCGV-TUAOUCFPSA-N 1 3 342.406 0.869 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H](O)C(F)(F)F ZINC000637265903 440219329 /nfs/dbraw/zinc/21/93/29/440219329.db2.gz SSCJGFYZVKLCGV-TUAOUCFPSA-N 1 3 342.406 0.869 20 0 ECADHO COCC[N@H+](C)C[C@H](O)CN1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000653624088 440220409 /nfs/dbraw/zinc/22/04/09/440220409.db2.gz XFRNDFBERALDBN-KBXCAEBGSA-N 1 3 333.432 0.521 20 0 ECADHO COCC[N@@H+](C)C[C@H](O)CN1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000653624088 440220416 /nfs/dbraw/zinc/22/04/16/440220416.db2.gz XFRNDFBERALDBN-KBXCAEBGSA-N 1 3 333.432 0.521 20 0 ECADHO O=C(NCC[NH2+]C1CC1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000637307461 440234360 /nfs/dbraw/zinc/23/43/60/440234360.db2.gz SAKHRQWNJSZGHW-FUHWJXTLSA-N 1 3 346.475 0.921 20 0 ECADHO C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H](CN)C(F)(F)F)CCO1 ZINC000659024830 440208501 /nfs/dbraw/zinc/20/85/01/440208501.db2.gz KTCRJTCOUDCGBD-MNOVXSKESA-N 1 3 326.363 0.628 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)C2)nn1 ZINC000648177646 440253368 /nfs/dbraw/zinc/25/33/68/440253368.db2.gz LGNQLKLLOLTNJK-NWDGAFQWSA-N 1 3 328.367 0.145 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000659159309 440264924 /nfs/dbraw/zinc/26/49/24/440264924.db2.gz NIFJYODVHXIFKO-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO COCCCN(C)CCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664218932 440262751 /nfs/dbraw/zinc/26/27/51/440262751.db2.gz KEVIWHMYPVEVBI-INIZCTEOSA-N 1 3 342.484 0.195 20 0 ECADHO COCCCN(C)CCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664218932 440262754 /nfs/dbraw/zinc/26/27/54/440262754.db2.gz KEVIWHMYPVEVBI-INIZCTEOSA-N 1 3 342.484 0.195 20 0 ECADHO CN(C)C[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)c2ccccc2O1 ZINC000659284674 440290418 /nfs/dbraw/zinc/29/04/18/440290418.db2.gz GVQOOUZHXRYDRR-LBPRGKRZSA-N 1 3 330.392 0.206 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664407582 440306518 /nfs/dbraw/zinc/30/65/18/440306518.db2.gz HKMTYIGHMVDVDU-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664409087 440306621 /nfs/dbraw/zinc/30/66/21/440306621.db2.gz SOMOFPSWDULHDA-XYPHTWIQSA-N 1 3 336.480 0.710 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664409087 440306625 /nfs/dbraw/zinc/30/66/25/440306625.db2.gz SOMOFPSWDULHDA-XYPHTWIQSA-N 1 3 336.480 0.710 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000659359233 440307143 /nfs/dbraw/zinc/30/71/43/440307143.db2.gz XDKDZGFIGAWOKK-INIZCTEOSA-N 1 3 334.464 0.945 20 0 ECADHO Cc1cc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000648756897 440319664 /nfs/dbraw/zinc/31/96/64/440319664.db2.gz QCKGURNLXXOCGJ-UHFFFAOYSA-N 1 3 333.480 0.946 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659460513 440331002 /nfs/dbraw/zinc/33/10/02/440331002.db2.gz QCTANIPPRFCOQL-HNNXBMFYSA-N 1 3 325.501 0.831 20 0 ECADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000632665410 440336387 /nfs/dbraw/zinc/33/63/87/440336387.db2.gz PEIAXKHIYVUPOC-AWEZNQCLSA-N 1 3 337.468 0.362 20 0 ECADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000632665410 440336390 /nfs/dbraw/zinc/33/63/90/440336390.db2.gz PEIAXKHIYVUPOC-AWEZNQCLSA-N 1 3 337.468 0.362 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000659678216 440415012 /nfs/dbraw/zinc/41/50/12/440415012.db2.gz VPEJNHMSIFVWOI-HUUCEWRRSA-N 1 3 342.484 0.093 20 0 ECADHO COc1cccc(C[C@@H](N)C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000638069672 440421364 /nfs/dbraw/zinc/42/13/64/440421364.db2.gz LVRRLCKNEUANAH-QGZVFWFLSA-N 1 3 335.448 0.528 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000659629433 440382718 /nfs/dbraw/zinc/38/27/18/440382718.db2.gz SJKNVAASROHAHU-LBPRGKRZSA-N 1 3 334.424 0.172 20 0 ECADHO NC(=O)[C@@H]1CCCN1CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000628421528 440468078 /nfs/dbraw/zinc/46/80/78/440468078.db2.gz DGDHSTXCGZAPPR-KRWDZBQOSA-N 1 3 331.464 0.980 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732936 440468864 /nfs/dbraw/zinc/46/88/64/440468864.db2.gz QEDNAXMQDNJRIZ-UHFFFAOYSA-N 1 3 336.436 0.558 20 0 ECADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000638167030 440470372 /nfs/dbraw/zinc/47/03/72/440470372.db2.gz YHBBBSWMIWUBBM-ARFHVFGLSA-N 1 3 327.469 0.557 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659736219 440474341 /nfs/dbraw/zinc/47/43/41/440474341.db2.gz LTMMJIHXXKQRDF-GDBMZVCRSA-N 1 3 336.480 0.720 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000659738528 440476096 /nfs/dbraw/zinc/47/60/96/440476096.db2.gz FJPUZALOYXIZEY-HZPDHXFCSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)C(C)(C)C[NH+](C)C ZINC000659700516 440434534 /nfs/dbraw/zinc/43/45/34/440434534.db2.gz MOCFHVMHSNQJNC-MCIONIFRSA-N 1 3 326.485 0.665 20 0 ECADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2(N3CCCC3)CCOCC2)C1 ZINC000638103227 440436768 /nfs/dbraw/zinc/43/67/68/440436768.db2.gz ZEXPMTUWTUNJOZ-ZBFHGGJFSA-N 1 3 325.453 0.515 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659710495 440444016 /nfs/dbraw/zinc/44/40/16/440444016.db2.gz RBCBZAQCAFQFIV-UHFFFAOYSA-N 1 3 347.463 0.136 20 0 ECADHO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659709646 440445015 /nfs/dbraw/zinc/44/50/15/440445015.db2.gz GYDHTIRMHPMQDN-HNNXBMFYSA-N 1 3 336.480 0.768 20 0 ECADHO C[C@@H]1CCC[C@@](CNC(=O)CN2CCCC[C@@H](N)C2=O)([NH+](C)C)C1 ZINC000649304967 440448527 /nfs/dbraw/zinc/44/85/27/440448527.db2.gz SJPXOYLKQKVWEE-IIDMSEBBSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659715186 440449064 /nfs/dbraw/zinc/44/90/64/440449064.db2.gz OWBPPCFDIBLFEQ-GJZGRUSLSA-N 1 3 336.480 0.625 20 0 ECADHO CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccco1 ZINC000633113053 440451511 /nfs/dbraw/zinc/45/15/11/440451511.db2.gz JZUXURCUOPYGKG-KBPBESRZSA-N 1 3 334.420 0.133 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)[C@H]3CNCCC3(F)F)CC2)CC1 ZINC000649312118 440458281 /nfs/dbraw/zinc/45/82/81/440458281.db2.gz RBZLQOGDBLOJNK-OAHLLOKOSA-N 1 3 344.450 0.906 20 0 ECADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000655272517 440520048 /nfs/dbraw/zinc/52/00/48/440520048.db2.gz RNFMWBLDFHUUFG-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1CCN([C@H](C)C[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638362538 440521704 /nfs/dbraw/zinc/52/17/04/440521704.db2.gz BDTGYCXUOXXMLK-MRXNPFEDSA-N 1 3 326.529 0.837 20 0 ECADHO CNC(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763425 440524147 /nfs/dbraw/zinc/52/41/47/440524147.db2.gz AFQFVGYGWHAUCF-KBPBESRZSA-N 1 3 327.473 0.036 20 0 ECADHO CNC(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763425 440524153 /nfs/dbraw/zinc/52/41/53/440524153.db2.gz AFQFVGYGWHAUCF-KBPBESRZSA-N 1 3 327.473 0.036 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000665761536 440524611 /nfs/dbraw/zinc/52/46/11/440524611.db2.gz GZFHOYBROGYNGU-STQMWFEESA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000665761536 440524616 /nfs/dbraw/zinc/52/46/16/440524616.db2.gz GZFHOYBROGYNGU-STQMWFEESA-N 1 3 336.427 0.670 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cncc2ncn(C)c21 ZINC000633614021 440525608 /nfs/dbraw/zinc/52/56/08/440525608.db2.gz LCNZQEZAVGTPOO-ZDUSSCGKSA-N 1 3 332.452 0.970 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cncc2ncn(C)c21 ZINC000633614021 440525616 /nfs/dbraw/zinc/52/56/16/440525616.db2.gz LCNZQEZAVGTPOO-ZDUSSCGKSA-N 1 3 332.452 0.970 20 0 ECADHO CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[C@H]1CCN(C)C1 ZINC000665763804 440531166 /nfs/dbraw/zinc/53/11/66/440531166.db2.gz MGQBTWWVZJJHPY-HOTGVXAUSA-N 1 3 327.517 0.994 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000659744339 440481125 /nfs/dbraw/zinc/48/11/25/440481125.db2.gz JGMVCDOOMFJWTR-SOUVJXGZSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000659743172 440481616 /nfs/dbraw/zinc/48/16/16/440481616.db2.gz XWIDJSWORJIQSD-XHSDSOJGSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000659745571 440483692 /nfs/dbraw/zinc/48/36/92/440483692.db2.gz ZSEBDNIGHMICJV-HZPDHXFCSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH2+]CCOCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000638578580 440572533 /nfs/dbraw/zinc/57/25/33/440572533.db2.gz OXKVGQXESTWSRT-UHFFFAOYSA-N 1 3 334.464 0.551 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000650005740 440580057 /nfs/dbraw/zinc/58/00/57/440580057.db2.gz HOTNWYFNBZMKOZ-HNNXBMFYSA-N 1 3 339.484 0.134 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000650005740 440580062 /nfs/dbraw/zinc/58/00/62/440580062.db2.gz HOTNWYFNBZMKOZ-HNNXBMFYSA-N 1 3 339.484 0.134 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000650013358 440580294 /nfs/dbraw/zinc/58/02/94/440580294.db2.gz JVCIOHUBELSOER-HNNXBMFYSA-N 1 3 339.484 0.132 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000650013358 440580299 /nfs/dbraw/zinc/58/02/99/440580299.db2.gz JVCIOHUBELSOER-HNNXBMFYSA-N 1 3 339.484 0.132 20 0 ECADHO CO[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)[C@H]1CCOC1 ZINC000660057029 440587037 /nfs/dbraw/zinc/58/70/37/440587037.db2.gz SLNMQBBJXKSYRB-HOTGVXAUSA-N 1 3 327.469 0.428 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N(C)C ZINC000638440735 440540046 /nfs/dbraw/zinc/54/00/46/440540046.db2.gz PPYYMLVOHGXAEY-HOCLYGCPSA-N 1 3 348.495 0.866 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000638725641 440609673 /nfs/dbraw/zinc/60/96/73/440609673.db2.gz CQRGEWXYMMDLKY-HNNXBMFYSA-N 1 3 326.485 0.369 20 0 ECADHO C[C@@H]1CN(CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)CCCO1 ZINC000655929736 440650277 /nfs/dbraw/zinc/65/02/77/440650277.db2.gz WGGOHKGFBQLVIK-GHMZBOCLSA-N 1 3 326.363 0.676 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650642046 440663209 /nfs/dbraw/zinc/66/32/09/440663209.db2.gz RSBNGLZKMRROTR-CQSZACIVSA-N 1 3 327.473 0.132 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCCN4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000655976361 440665212 /nfs/dbraw/zinc/66/52/12/440665212.db2.gz WSPWAXBVPKYYGU-YVSFHVDLSA-N 1 3 346.479 0.873 20 0 ECADHO C[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CN1CCN(C)CC1 ZINC000655920997 440643115 /nfs/dbraw/zinc/64/31/15/440643115.db2.gz VJJCHFKDOSVYTR-WDEREUQCSA-N 1 3 325.379 0.059 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926342 440645394 /nfs/dbraw/zinc/64/53/94/440645394.db2.gz CVPACVPEAKPCBQ-ZYHUDNBSSA-N 1 3 338.374 0.771 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000656017655 440692998 /nfs/dbraw/zinc/69/29/98/440692998.db2.gz BQROGQLYJBYMBO-GJZGRUSLSA-N 1 3 336.480 0.897 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656028199 440696607 /nfs/dbraw/zinc/69/66/07/440696607.db2.gz ILLDXGDNTORCQR-YHUYYLMFSA-N 1 3 336.480 0.848 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656025627 440697013 /nfs/dbraw/zinc/69/70/13/440697013.db2.gz OSCSHSKDFHAWMB-HZPDHXFCSA-N 1 3 334.464 0.546 20 0 ECADHO C[C@](O)(C[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000634707299 440694127 /nfs/dbraw/zinc/69/41/27/440694127.db2.gz CUACEZLZTKGTHN-MLHJIOFPSA-N 1 3 326.481 0.866 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000656306495 440758131 /nfs/dbraw/zinc/75/81/31/440758131.db2.gz ARBQXPQNDQRSCZ-HUUCEWRRSA-N 1 3 339.484 0.275 20 0 ECADHO O[C@H](C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)CN1CCCC1 ZINC000629612583 440744644 /nfs/dbraw/zinc/74/46/44/440744644.db2.gz FTGPPQSXAVYBOV-QZTJIDSGSA-N 1 3 334.464 0.329 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651107577 440748496 /nfs/dbraw/zinc/74/84/96/440748496.db2.gz KQCDTYMOKAWTFM-CQSZACIVSA-N 1 3 327.473 0.131 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651107577 440748497 /nfs/dbraw/zinc/74/84/97/440748497.db2.gz KQCDTYMOKAWTFM-CQSZACIVSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)C2 ZINC000629796433 440765186 /nfs/dbraw/zinc/76/51/86/440765186.db2.gz QMYORODKCYZKTL-ZYSHUDEJSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656343105 440779433 /nfs/dbraw/zinc/77/94/33/440779433.db2.gz KWVPGVGEYNKCLI-FPCVCCKLSA-N 1 3 338.496 0.822 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000651269622 440781826 /nfs/dbraw/zinc/78/18/26/440781826.db2.gz GXPLFIMRKCNAIC-QLFBSQMISA-N 1 3 339.484 0.308 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000651269622 440781831 /nfs/dbraw/zinc/78/18/31/440781831.db2.gz GXPLFIMRKCNAIC-QLFBSQMISA-N 1 3 339.484 0.308 20 0 ECADHO CN1CCN(CCCCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630729218 440950924 /nfs/dbraw/zinc/95/09/24/440950924.db2.gz IERZSLWDSKIARC-UHFFFAOYSA-N 1 3 336.484 0.202 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000635690638 440951858 /nfs/dbraw/zinc/95/18/58/440951858.db2.gz RVIVGWWVVMJXHW-CRAIPNDOSA-N 1 3 331.460 0.864 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000635690638 440951864 /nfs/dbraw/zinc/95/18/64/440951864.db2.gz RVIVGWWVVMJXHW-CRAIPNDOSA-N 1 3 331.460 0.864 20 0 ECADHO CN(C)CCn1cc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cn1 ZINC000645803369 440924527 /nfs/dbraw/zinc/92/45/27/440924527.db2.gz VHEZTEPRGMUVLG-GFCCVEGCSA-N 1 3 332.412 0.041 20 0 ECADHO C[NH+](C)CCOCCNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631113873 441014755 /nfs/dbraw/zinc/01/47/55/441014755.db2.gz SCMDWMJIJXUCEF-UHFFFAOYSA-N 1 3 335.857 0.655 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652125460 441017382 /nfs/dbraw/zinc/01/73/82/441017382.db2.gz UQGFVUBJDZWPGR-UHFFFAOYSA-N 1 3 325.501 0.701 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)C[C@@H]3NCc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000662580143 441072110 /nfs/dbraw/zinc/07/21/10/441072110.db2.gz NDZTXEBUADEUCM-BBWFWOEESA-N 1 3 325.416 0.908 20 0 ECADHO COCCNCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652212064 441031810 /nfs/dbraw/zinc/03/18/10/441031810.db2.gz UXGAHZLIZUKGKC-ZNMIVQPWSA-N 1 3 328.457 0.150 20 0 ECADHO CN1CCN(CC2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)CC1 ZINC000652236588 441035439 /nfs/dbraw/zinc/03/54/39/441035439.db2.gz RUNGJWPGQRQLIU-UHFFFAOYSA-N 1 3 337.512 0.784 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)C(=O)NCCN(C)C ZINC000641032008 441048722 /nfs/dbraw/zinc/04/87/22/441048722.db2.gz FMOBJPSDOFDRFW-CABCVRRESA-N 1 3 341.500 0.520 20 0 ECADHO CN(C)CCN(CCCc1ccccc1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662474190 441049701 /nfs/dbraw/zinc/04/97/01/441049701.db2.gz VBYVWOJAVWLNBG-UHFFFAOYSA-N 1 3 344.463 0.873 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662492862 441057767 /nfs/dbraw/zinc/05/77/67/441057767.db2.gz AZCSGARCVCCYKC-HUUCEWRRSA-N 1 3 348.495 0.490 20 0 ECADHO O=C(CCOC1CNC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662615106 441077704 /nfs/dbraw/zinc/07/77/04/441077704.db2.gz YIKAUTMAWZLQKT-UHFFFAOYSA-N 1 3 325.453 0.372 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000332672333 320909766 /nfs/dbraw/zinc/90/97/66/320909766.db2.gz PTRCMIZGHSPPBK-BZUAXINKSA-N 1 3 336.480 0.517 20 0 ECADHO CN(CCNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1)C1CC1 ZINC000340218791 321024110 /nfs/dbraw/zinc/02/41/10/321024110.db2.gz UVWXVZCQKUZTCB-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CN(CCNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000340218791 321024112 /nfs/dbraw/zinc/02/41/12/321024112.db2.gz UVWXVZCQKUZTCB-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340267741 321033266 /nfs/dbraw/zinc/03/32/66/321033266.db2.gz KWRCVEFCCDPMGE-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340422046 321043142 /nfs/dbraw/zinc/04/31/42/321043142.db2.gz CBHPLJPCMLSQRU-BBRMVZONSA-N 1 3 344.525 0.386 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340422046 321043143 /nfs/dbraw/zinc/04/31/43/321043143.db2.gz CBHPLJPCMLSQRU-BBRMVZONSA-N 1 3 344.525 0.386 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340422051 321043209 /nfs/dbraw/zinc/04/32/09/321043209.db2.gz CBHPLJPCMLSQRU-XJKSGUPXSA-N 1 3 344.525 0.386 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340422051 321043210 /nfs/dbraw/zinc/04/32/10/321043210.db2.gz CBHPLJPCMLSQRU-XJKSGUPXSA-N 1 3 344.525 0.386 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N(C)C1CC1 ZINC000342062674 321074744 /nfs/dbraw/zinc/07/47/44/321074744.db2.gz MUFLOVQLDUIWLU-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000343315772 321132896 /nfs/dbraw/zinc/13/28/96/321132896.db2.gz YYQFBRFERWSWRD-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000343315772 321132898 /nfs/dbraw/zinc/13/28/98/321132898.db2.gz YYQFBRFERWSWRD-RHSMWYFYSA-N 1 3 348.491 0.672 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000347727188 321248975 /nfs/dbraw/zinc/24/89/75/321248975.db2.gz RRFHZAWHHUYLDF-CVEARBPZSA-N 1 3 338.496 0.587 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000347727188 321248977 /nfs/dbraw/zinc/24/89/77/321248977.db2.gz RRFHZAWHHUYLDF-CVEARBPZSA-N 1 3 338.496 0.587 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000347860969 321255673 /nfs/dbraw/zinc/25/56/73/321255673.db2.gz SZNLUPVWJLLBPY-UHFFFAOYSA-N 1 3 341.415 0.732 20 0 ECADHO C[NH+](C)CCOCCNCc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000349191963 321299512 /nfs/dbraw/zinc/29/95/12/321299512.db2.gz PGWKVENGNPXHIM-OAHLLOKOSA-N 1 3 344.481 0.085 20 0 ECADHO CC(C)[C@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000352120135 321349647 /nfs/dbraw/zinc/34/96/47/321349647.db2.gz IFRUXFVXNVSGHQ-INIZCTEOSA-N 1 3 326.485 0.861 20 0 ECADHO CCn1ncc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000527723888 322014516 /nfs/dbraw/zinc/01/45/16/322014516.db2.gz FRQDSYBULUVYML-UHFFFAOYSA-N 1 3 349.483 0.656 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000557013332 322201743 /nfs/dbraw/zinc/20/17/43/322201743.db2.gz KDLHAFBDPWFAQL-DOMZBBRYSA-N 1 3 348.447 0.810 20 0 ECADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC3C[NH2+]C3)c2)CC1 ZINC000561004768 322252383 /nfs/dbraw/zinc/25/23/83/322252383.db2.gz QBGGIJLDRANMLX-UHFFFAOYSA-N 1 3 345.447 0.244 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000561527986 322261706 /nfs/dbraw/zinc/26/17/06/322261706.db2.gz UMNVMOAVLGSEIZ-HOCLYGCPSA-N 1 3 339.484 0.178 20 0 ECADHO CN1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@H](C[NH3+])C1 ZINC000563102119 322298244 /nfs/dbraw/zinc/29/82/44/322298244.db2.gz WYBIDXKEDCXRMR-QGZVFWFLSA-N 1 3 325.416 0.962 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000563119606 322299288 /nfs/dbraw/zinc/29/92/88/322299288.db2.gz UYPZSAUJMPAZCD-BXUZGUMPSA-N 1 3 343.497 0.419 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCCC[NH2+]C2CC2)CC1=O ZINC000563206027 322304382 /nfs/dbraw/zinc/30/43/82/322304382.db2.gz ITMRUBBQGYBBNH-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H](O)COC)CC2)CC1 ZINC000563388067 322313916 /nfs/dbraw/zinc/31/39/16/322313916.db2.gz ULEXZBRLGISDBX-QGZVFWFLSA-N 1 3 341.496 0.696 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000566508830 322540553 /nfs/dbraw/zinc/54/05/53/322540553.db2.gz LZOJQWWYLHXVMP-GLQYFDAESA-N 1 3 331.420 0.160 20 0 ECADHO CCc1ccnc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000577091621 322825019 /nfs/dbraw/zinc/82/50/19/322825019.db2.gz BJKGOBGLZBRAJM-UHFFFAOYSA-N 1 3 349.479 0.212 20 0 ECADHO C[C@@H](CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C1CC[NH2+]CC1 ZINC000579711576 322904897 /nfs/dbraw/zinc/90/48/97/322904897.db2.gz GDWLJIGWTCLHGB-XJKSGUPXSA-N 1 3 334.468 0.926 20 0 ECADHO C[NH+](C)CC1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000579735657 322905834 /nfs/dbraw/zinc/90/58/34/322905834.db2.gz JRUCCZPRXHJWMP-WUCCLRPBSA-N 1 3 337.468 0.060 20 0 ECADHO O=C(N[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011858 782134940 /nfs/dbraw/zinc/13/49/40/782134940.db2.gz LBGGOVWNBDEVHV-BFHYXJOUSA-N 1 3 343.418 0.679 20 0 ECADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1cccc(OC)c1 ZINC000163966533 528277526 /nfs/dbraw/zinc/27/75/26/528277526.db2.gz QZJARUBBJIJMKN-USXIJHARSA-N 1 3 335.448 0.917 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](O)CN2)cc1 ZINC000262554610 535539143 /nfs/dbraw/zinc/53/91/43/535539143.db2.gz UOHIGWZTMLISEE-HOTGVXAUSA-N 1 3 348.447 0.420 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[NH2+]CC2CC2)c1 ZINC000263257827 535889683 /nfs/dbraw/zinc/88/96/83/535889683.db2.gz LKXMJGNQOTVEFR-UHFFFAOYSA-N 1 3 332.448 0.594 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C[C@H](C)O1 ZINC000162789200 545858185 /nfs/dbraw/zinc/85/81/85/545858185.db2.gz DZKQTHUMMONBDY-CWQOZTLDSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C[C@H](C)O1 ZINC000162789200 545858191 /nfs/dbraw/zinc/85/81/91/545858191.db2.gz DZKQTHUMMONBDY-CWQOZTLDSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)C[C@H](C)O1 ZINC000162789200 545858196 /nfs/dbraw/zinc/85/81/96/545858196.db2.gz DZKQTHUMMONBDY-CWQOZTLDSA-N 1 3 325.497 0.873 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)C[C@H](C)O1 ZINC000162789200 545858199 /nfs/dbraw/zinc/85/81/99/545858199.db2.gz DZKQTHUMMONBDY-CWQOZTLDSA-N 1 3 325.497 0.873 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000342982649 546088038 /nfs/dbraw/zinc/08/80/38/546088038.db2.gz DYWDCEPONGQNHH-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000342997839 546091355 /nfs/dbraw/zinc/09/13/55/546091355.db2.gz XALXDAXPUCDHIP-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000343019536 546093445 /nfs/dbraw/zinc/09/34/45/546093445.db2.gz ZMWRZLREMKIVFD-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000515047053 546259270 /nfs/dbraw/zinc/25/92/70/546259270.db2.gz FAOHUTDSXKBNED-GOSISDBHSA-N 1 3 337.512 0.798 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@@H](CO)C1 ZINC000621531999 546521045 /nfs/dbraw/zinc/52/10/45/546521045.db2.gz OOMGDQRMBKURCL-HRCADAONSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@@H](CO)C1 ZINC000621531999 546521047 /nfs/dbraw/zinc/52/10/47/546521047.db2.gz OOMGDQRMBKURCL-HRCADAONSA-N 1 3 328.501 0.918 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621845052 546575454 /nfs/dbraw/zinc/57/54/54/546575454.db2.gz AZRAYNBTDNSROV-QWQRMKEZSA-N 1 3 336.480 0.563 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028485 546610579 /nfs/dbraw/zinc/61/05/79/546610579.db2.gz RAJSJQFWQMVJOQ-KSSFIOAISA-N 1 3 334.464 0.413 20 0 ECADHO COc1ccc(C[N@@H+]2CCCN(c3nc(N)nc(N)n3)CC2)cc1 ZINC000623827677 546847149 /nfs/dbraw/zinc/84/71/49/546847149.db2.gz QIGHFBMMOSTELW-UHFFFAOYSA-N 1 3 329.408 0.418 20 0 ECADHO COc1ccc(C[N@H+]2CCCN(c3nc(N)nc(N)n3)CC2)cc1 ZINC000623827677 546847151 /nfs/dbraw/zinc/84/71/51/546847151.db2.gz QIGHFBMMOSTELW-UHFFFAOYSA-N 1 3 329.408 0.418 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000642984331 547399605 /nfs/dbraw/zinc/39/96/05/547399605.db2.gz JMLPAESADAYYEL-FPCVCCKLSA-N 1 3 336.480 0.717 20 0 ECADHO CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@@H]1CCN(CC)C1 ZINC000668581867 547692018 /nfs/dbraw/zinc/69/20/18/547692018.db2.gz MVMRJVOQWZZCEX-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000669028158 547815737 /nfs/dbraw/zinc/81/57/37/547815737.db2.gz WDCWYUMFAQZOBN-OAHLLOKOSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)NCC[NH2+]C1CC1 ZINC000669430976 547890063 /nfs/dbraw/zinc/89/00/63/547890063.db2.gz KPGDRHOEQHMUKF-UHFFFAOYSA-N 1 3 346.479 0.645 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCNC[C@@](C)(F)C3)C2)CC1 ZINC000669484160 547895153 /nfs/dbraw/zinc/89/51/53/547895153.db2.gz FTCNHRSLVYOTHY-WMLDXEAASA-N 1 3 341.475 0.498 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCNC[C@@](C)(F)C3)C2)CC1 ZINC000669484160 547895154 /nfs/dbraw/zinc/89/51/54/547895154.db2.gz FTCNHRSLVYOTHY-WMLDXEAASA-N 1 3 341.475 0.498 20 0 ECADHO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCNC[C@@](C)(F)C3)C2)CC1 ZINC000669484160 547895156 /nfs/dbraw/zinc/89/51/56/547895156.db2.gz FTCNHRSLVYOTHY-WMLDXEAASA-N 1 3 341.475 0.498 20 0 ECADHO CN(C)CCOc1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1 ZINC000669831549 547937814 /nfs/dbraw/zinc/93/78/14/547937814.db2.gz DMTFEEAMLWNDIK-UHFFFAOYSA-N 1 3 341.477 0.797 20 0 ECADHO C[C@@H](NC(=O)C(=O)NCCN1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000670983732 548075089 /nfs/dbraw/zinc/07/50/89/548075089.db2.gz CUBSJKBMAZSENO-OAHLLOKOSA-N 1 3 338.496 0.681 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671122319 548095095 /nfs/dbraw/zinc/09/50/95/548095095.db2.gz SQQDNDDLTDIVNZ-HUUCEWRRSA-N 1 3 334.464 0.187 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671122319 548095097 /nfs/dbraw/zinc/09/50/97/548095097.db2.gz SQQDNDDLTDIVNZ-HUUCEWRRSA-N 1 3 334.464 0.187 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671183133 548107839 /nfs/dbraw/zinc/10/78/39/548107839.db2.gz MOAAFCRAOFFXJR-LVQVYYBASA-N 1 3 334.464 0.425 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671183133 548107840 /nfs/dbraw/zinc/10/78/40/548107840.db2.gz MOAAFCRAOFFXJR-LVQVYYBASA-N 1 3 334.464 0.425 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672007991 548253281 /nfs/dbraw/zinc/25/32/81/548253281.db2.gz OAZJBOZIXOKEOC-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=S)NCCC[NH+](C)C ZINC000751039405 579362316 /nfs/dbraw/zinc/36/23/16/579362316.db2.gz PJVZTRXOZCPARJ-CQSZACIVSA-N 1 3 343.541 0.345 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCn1cncn1 ZINC000750735493 579357839 /nfs/dbraw/zinc/35/78/39/579357839.db2.gz XPQOUAPOCCQPLA-MRXNPFEDSA-N 1 3 336.484 0.933 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCn1cncn1 ZINC000750735493 579357840 /nfs/dbraw/zinc/35/78/40/579357840.db2.gz XPQOUAPOCCQPLA-MRXNPFEDSA-N 1 3 336.484 0.933 20 0 ECADHO CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000758454500 579473486 /nfs/dbraw/zinc/47/34/86/579473486.db2.gz AYWSHPABHWGUMR-JKSUJKDBSA-N 1 3 342.484 0.507 20 0 ECADHO CC(C)[N@@H+]1CCCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC000727823930 578284589 /nfs/dbraw/zinc/28/45/89/578284589.db2.gz MPUFEBIXSUXHAI-UHFFFAOYSA-N 1 3 337.468 0.376 20 0 ECADHO CC(C)[N@H+]1CCCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC000727823930 578284590 /nfs/dbraw/zinc/28/45/90/578284590.db2.gz MPUFEBIXSUXHAI-UHFFFAOYSA-N 1 3 337.468 0.376 20 0 ECADHO CN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000796813058 578627823 /nfs/dbraw/zinc/62/78/23/578627823.db2.gz VPECBWCQFPLSON-ILXRZTDVSA-N 1 3 331.482 0.111 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000788574273 578840160 /nfs/dbraw/zinc/84/01/60/578840160.db2.gz RWHKWQYXQDARAG-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000788574273 578840161 /nfs/dbraw/zinc/84/01/61/578840161.db2.gz RWHKWQYXQDARAG-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000788795581 578843903 /nfs/dbraw/zinc/84/39/03/578843903.db2.gz ALDLOXFKUZILQY-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCCCC1 ZINC000788795581 578843904 /nfs/dbraw/zinc/84/39/04/578843904.db2.gz ALDLOXFKUZILQY-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000791139006 578886820 /nfs/dbraw/zinc/88/68/20/578886820.db2.gz WHHMAQQZZAPJIF-CVEARBPZSA-N 1 3 331.526 0.959 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CCCCC1 ZINC000793700092 578935904 /nfs/dbraw/zinc/93/59/04/578935904.db2.gz LNHTUXCKPWYHBA-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CCCCC1 ZINC000793700092 578935906 /nfs/dbraw/zinc/93/59/06/578935906.db2.gz LNHTUXCKPWYHBA-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793714421 578936958 /nfs/dbraw/zinc/93/69/58/578936958.db2.gz SCLLUCDZFQVZLJ-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793714421 578936960 /nfs/dbraw/zinc/93/69/60/578936960.db2.gz SCLLUCDZFQVZLJ-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CCNS(=O)(=O)CC[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000772978501 579218248 /nfs/dbraw/zinc/21/82/48/579218248.db2.gz NKHDKZBHBUHGSK-GJZGRUSLSA-N 1 3 335.514 0.652 20 0 ECADHO COC(=O)N1CCC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000741086262 579765633 /nfs/dbraw/zinc/76/56/33/579765633.db2.gz YIUXEFRZRKROJU-CQSZACIVSA-N 1 3 343.472 0.352 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000841018041 588976110 /nfs/dbraw/zinc/97/61/10/588976110.db2.gz ONMZVZWQKSHYCB-QGZVFWFLSA-N 1 3 347.463 0.938 20 0 ECADHO [NH3+]CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000841030234 588976247 /nfs/dbraw/zinc/97/62/47/588976247.db2.gz LOQWDMCYWDBJRG-OAHLLOKOSA-N 1 3 346.431 0.659 20 0 ECADHO C[C@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)CN1CCN(C)CC1 ZINC000841836994 589002327 /nfs/dbraw/zinc/00/23/27/589002327.db2.gz HGDQABBXNJQKFD-MRXNPFEDSA-N 1 3 347.507 0.871 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842028064 589008795 /nfs/dbraw/zinc/00/87/95/589008795.db2.gz YMDHHGAZBBUJQB-CQSZACIVSA-N 1 3 334.464 0.651 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)NC2CNC2)CC[N@H+](Cc2ccccc2)C1 ZINC000842189118 589019401 /nfs/dbraw/zinc/01/94/01/589019401.db2.gz MXYIXHNXXXRUJD-SFHVURJKSA-N 1 3 330.432 0.103 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)NC2CNC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842189118 589019402 /nfs/dbraw/zinc/01/94/02/589019402.db2.gz MXYIXHNXXXRUJD-SFHVURJKSA-N 1 3 330.432 0.103 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842229943 589022965 /nfs/dbraw/zinc/02/29/65/589022965.db2.gz UOMKWAWYKNYXLG-UHFFFAOYSA-N 1 3 334.464 0.603 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000842233644 589023671 /nfs/dbraw/zinc/02/36/71/589023671.db2.gz YVGFSKARHJKALG-INIZCTEOSA-N 1 3 332.448 0.575 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891538187 586174776 /nfs/dbraw/zinc/17/47/76/586174776.db2.gz SHMNZVXVPYYWGD-QWHCGFSZSA-N 1 3 334.411 0.641 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](C)C1)N1CCN(C)CC1 ZINC000891752924 586193867 /nfs/dbraw/zinc/19/38/67/586193867.db2.gz PVLXTQCKEIDRMO-IRXDYDNUSA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[C@H](CNC(=O)NCC[N@H+]1CC[C@H](C)C1)N1CCN(C)CC1 ZINC000891752924 586193871 /nfs/dbraw/zinc/19/38/71/586193871.db2.gz PVLXTQCKEIDRMO-IRXDYDNUSA-N 1 3 339.528 0.899 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000895666676 586196806 /nfs/dbraw/zinc/19/68/06/586196806.db2.gz QLZAYCIXOXSVSK-HOTGVXAUSA-N 1 3 327.517 0.994 20 0 ECADHO CN(C)CCOCCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891842644 586200519 /nfs/dbraw/zinc/20/05/19/586200519.db2.gz VVVLYAYDGLSPKP-GHMZBOCLSA-N 1 3 326.363 0.343 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892069239 586219805 /nfs/dbraw/zinc/21/98/05/586219805.db2.gz GTWPFSIZADVLCX-QBPKDAKJSA-N 1 3 336.480 0.854 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892069239 586219806 /nfs/dbraw/zinc/21/98/06/586219806.db2.gz GTWPFSIZADVLCX-QBPKDAKJSA-N 1 3 336.480 0.854 20 0 ECADHO CC(C)(C)N1CC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000896156905 586223820 /nfs/dbraw/zinc/22/38/20/586223820.db2.gz VHVLYHUFMMJAPH-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000892378694 586260538 /nfs/dbraw/zinc/26/05/38/586260538.db2.gz UUUZWRILDUUPTO-KGLIPLIRSA-N 1 3 326.485 0.909 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCN(C(C)(C)C)C1=O ZINC000896681643 586266755 /nfs/dbraw/zinc/26/67/55/586266755.db2.gz PFDQZVMCVUYAGI-OAHLLOKOSA-N 1 3 340.512 0.975 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000897447203 586324142 /nfs/dbraw/zinc/32/41/42/586324142.db2.gz NWKKOLFGTIACTR-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000897447203 586324144 /nfs/dbraw/zinc/32/41/44/586324144.db2.gz NWKKOLFGTIACTR-HOTGVXAUSA-N 1 3 325.501 0.653 20 0 ECADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000897557036 586343856 /nfs/dbraw/zinc/34/38/56/586343856.db2.gz DISXMKLVLFGDHI-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000897557036 586343858 /nfs/dbraw/zinc/34/38/58/586343858.db2.gz DISXMKLVLFGDHI-HZPDHXFCSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1C[NH2+]C[C@@H](NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000843126672 589051747 /nfs/dbraw/zinc/05/17/47/589051747.db2.gz SOULZNSJBSAIBJ-JQWIXIFHSA-N 1 3 325.425 0.838 20 0 ECADHO CC1(C)CCN(CCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000898588475 586434118 /nfs/dbraw/zinc/43/41/18/586434118.db2.gz JYJMYNVFHQNLSL-INIZCTEOSA-N 1 3 338.496 0.959 20 0 ECADHO CC1(C)CCN(CCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000898588475 586434120 /nfs/dbraw/zinc/43/41/20/586434120.db2.gz JYJMYNVFHQNLSL-INIZCTEOSA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000898621740 586438618 /nfs/dbraw/zinc/43/86/18/586438618.db2.gz CTQKZLAIMOBHIJ-LVQVYYBASA-N 1 3 338.496 0.347 20 0 ECADHO CN(C(=O)[C@]1(C)C[C@H](O)CN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900668666 586652825 /nfs/dbraw/zinc/65/28/25/586652825.db2.gz FJNOMJWSQSNVJP-BQFCYCMXSA-N 1 3 338.496 0.068 20 0 ECADHO CN(C(=O)[C@]1(C)C[C@H](O)CN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900668666 586652826 /nfs/dbraw/zinc/65/28/26/586652826.db2.gz FJNOMJWSQSNVJP-BQFCYCMXSA-N 1 3 338.496 0.068 20 0 ECADHO CN(C(=O)[C@]1(C)C[C@H](O)CN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900668666 586652828 /nfs/dbraw/zinc/65/28/28/586652828.db2.gz FJNOMJWSQSNVJP-BQFCYCMXSA-N 1 3 338.496 0.068 20 0 ECADHO CC(C)[NH+]1CCN(CCCC(=O)NCCN2CCSCC2)CC1 ZINC000900673323 586654322 /nfs/dbraw/zinc/65/43/22/586654322.db2.gz POVAUEBFSJMQIQ-UHFFFAOYSA-N 1 3 342.553 0.958 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NCc1ccccc1)C2 ZINC000903491104 586779234 /nfs/dbraw/zinc/77/92/34/586779234.db2.gz VIUANWWHTBOYDY-DAYGRLMNSA-N 1 3 331.416 0.515 20 0 ECADHO CCC(C)(C)NC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493664 586779374 /nfs/dbraw/zinc/77/93/74/586779374.db2.gz ZDVXZJDQFSBQAQ-ZHRONYKTSA-N 1 3 325.453 0.892 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000903492642 586779596 /nfs/dbraw/zinc/77/95/96/586779596.db2.gz IELXENQOPHUHBI-MIJXAVMKSA-N 1 3 349.353 0.362 20 0 ECADHO CS(=O)(=O)NC[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903725305 586802157 /nfs/dbraw/zinc/80/21/57/586802157.db2.gz YQHOAMFDCBOCIS-RRFJBIMHSA-N 1 3 331.482 0.016 20 0 ECADHO CC1(C)CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[C@H]1[NH3+] ZINC000903735294 586805798 /nfs/dbraw/zinc/80/57/98/586805798.db2.gz JZBMOGRJIMXGEZ-OAHLLOKOSA-N 1 3 336.480 0.659 20 0 ECADHO CCOC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000903744847 586807845 /nfs/dbraw/zinc/80/78/45/586807845.db2.gz XXLAZMCNQZIRTA-CAOSSQGBSA-N 1 3 337.464 0.766 20 0 ECADHO C[NH+]1CCC2(CCN(C(=O)C(=O)N3C[C@@H](N)C(C)(C)C3)CC2)CC1 ZINC000903791250 586812928 /nfs/dbraw/zinc/81/29/28/586812928.db2.gz DFPJHSLFRHKXKR-CQSZACIVSA-N 1 3 336.480 0.517 20 0 ECADHO COCCOCCOCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903784204 586815262 /nfs/dbraw/zinc/81/52/62/586815262.db2.gz LIIXBRQXIWSPBJ-HDICACEKSA-N 1 3 341.496 0.567 20 0 ECADHO COCCOCCOCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903784204 586815264 /nfs/dbraw/zinc/81/52/64/586815264.db2.gz LIIXBRQXIWSPBJ-HDICACEKSA-N 1 3 341.496 0.567 20 0 ECADHO COCCOCCOCCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903784204 586815266 /nfs/dbraw/zinc/81/52/66/586815266.db2.gz LIIXBRQXIWSPBJ-HDICACEKSA-N 1 3 341.496 0.567 20 0 ECADHO CN(C)[S@](C)(=O)=NCC1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000903870430 586821248 /nfs/dbraw/zinc/82/12/48/586821248.db2.gz HAXDFBDDMQQPJM-IQMFZBJNSA-N 1 3 344.525 0.794 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000903880544 586822616 /nfs/dbraw/zinc/82/26/16/586822616.db2.gz TVFKKLDDTKOUTQ-WMZOPIPTSA-N 1 3 348.495 0.889 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000903898240 586824286 /nfs/dbraw/zinc/82/42/86/586824286.db2.gz MUAKUBGEFWRUEJ-HZPDHXFCSA-N 1 3 334.468 0.357 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908958 586824926 /nfs/dbraw/zinc/82/49/26/586824926.db2.gz QFMPYUKMVNTYSV-WBVHZDCISA-N 1 3 348.495 0.888 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(Cn3cnnc3)CC2)cnn1C ZINC000903933171 586826880 /nfs/dbraw/zinc/82/68/80/586826880.db2.gz ZRKVKHYQEUIEQW-INIZCTEOSA-N 1 3 331.468 0.850 20 0 ECADHO FC1(F)CCNC[C@@H]1C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000903955967 586828070 /nfs/dbraw/zinc/82/80/70/586828070.db2.gz DGWDBVMXPDMTKU-OAHLLOKOSA-N 1 3 346.466 0.617 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cnc(N3CCCC3)nc1)C2 ZINC000903979040 586828620 /nfs/dbraw/zinc/82/86/20/586828620.db2.gz SPJWVHVWDGMZCU-DAYGRLMNSA-N 1 3 345.447 0.789 20 0 ECADHO COc1cc(C[NH2+]CC2(N)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000904450585 586838738 /nfs/dbraw/zinc/83/87/38/586838738.db2.gz SCQINAIJKMNNQN-UHFFFAOYSA-N 1 3 349.431 0.514 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@@]32CN)CC1 ZINC000904971893 586851605 /nfs/dbraw/zinc/85/16/05/586851605.db2.gz KHDZELYMNXVRES-KBXCAEBGSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)[C@@H]1CN ZINC000904965071 586856775 /nfs/dbraw/zinc/85/67/75/586856775.db2.gz PSKUXYMFRWPUOI-ZIAGYGMSSA-N 1 3 326.485 0.618 20 0 ECADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32CN)CC1 ZINC000905010170 586859943 /nfs/dbraw/zinc/85/99/43/586859943.db2.gz UBLDDTJBQXVVQZ-DNVCBOLYSA-N 1 3 348.491 0.803 20 0 ECADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)C[C@]2(O)CCOC2)ccn1 ZINC000905189941 586875725 /nfs/dbraw/zinc/87/57/25/586875725.db2.gz JXNNXTBKFHOUTH-DOTOQJQBSA-N 1 3 339.436 0.014 20 0 ECADHO NS(=O)(=O)c1ccc(CCCNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000905686407 586909621 /nfs/dbraw/zinc/90/96/21/586909621.db2.gz IIJIIWLQCAGKCJ-OAHLLOKOSA-N 1 3 341.477 0.313 20 0 ECADHO CN1CCN(c2ccccc2NC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000905751218 586912889 /nfs/dbraw/zinc/91/28/89/586912889.db2.gz PRDFXRDGZICNCY-UHFFFAOYSA-N 1 3 345.491 0.870 20 0 ECADHO CN1CCN(c2ccccc2NC(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000905751218 586912891 /nfs/dbraw/zinc/91/28/91/586912891.db2.gz PRDFXRDGZICNCY-UHFFFAOYSA-N 1 3 345.491 0.870 20 0 ECADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906654012 586962289 /nfs/dbraw/zinc/96/22/89/586962289.db2.gz UYJWCIWXASRISM-UHFFFAOYSA-N 1 3 348.447 0.653 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000906705482 586968897 /nfs/dbraw/zinc/96/88/97/586968897.db2.gz MHUOXFMLILTKPU-HNNXBMFYSA-N 1 3 332.448 0.843 20 0 ECADHO CCC[C@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CCN1CCOC ZINC000907179545 587023189 /nfs/dbraw/zinc/02/31/89/587023189.db2.gz ITZQSDWGISIMNL-KRWDZBQOSA-N 1 3 340.512 0.439 20 0 ECADHO CCC[C@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCN1CCOC ZINC000907179545 587023190 /nfs/dbraw/zinc/02/31/90/587023190.db2.gz ITZQSDWGISIMNL-KRWDZBQOSA-N 1 3 340.512 0.439 20 0 ECADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000808194199 587148462 /nfs/dbraw/zinc/14/84/62/587148462.db2.gz ZJJNZOAPMUUWFO-CABCVRRESA-N 1 3 349.479 0.519 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000817927202 587392178 /nfs/dbraw/zinc/39/21/78/587392178.db2.gz ZCSCOPOUJWBPPT-UHFFFAOYSA-N 1 3 334.464 0.297 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817966218 587393858 /nfs/dbraw/zinc/39/38/58/587393858.db2.gz IZOCYKLFTZFAHN-RVKKMQEKSA-N 1 3 334.464 0.426 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCCCCCC[NH3+])CC1=O ZINC000844200325 589102651 /nfs/dbraw/zinc/10/26/51/589102651.db2.gz QDDMNXSHBZXSJT-CVEARBPZSA-N 1 3 338.496 0.955 20 0 ECADHO CC(=O)N[C@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C ZINC000824819890 587895788 /nfs/dbraw/zinc/89/57/88/587895788.db2.gz QPGBESNPQLNTKP-YOEHRIQHSA-N 1 3 328.501 0.925 20 0 ECADHO CC(=O)N[C@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C ZINC000824819890 587895789 /nfs/dbraw/zinc/89/57/89/587895789.db2.gz QPGBESNPQLNTKP-YOEHRIQHSA-N 1 3 328.501 0.925 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC[C@@H]21 ZINC000867428403 589210420 /nfs/dbraw/zinc/21/04/20/589210420.db2.gz JXWVYVNHXLZWBR-PMPSAXMXSA-N 1 3 334.464 0.236 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC[C@@H]21 ZINC000867428403 589210422 /nfs/dbraw/zinc/21/04/22/589210422.db2.gz JXWVYVNHXLZWBR-PMPSAXMXSA-N 1 3 334.464 0.236 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000848616016 589304064 /nfs/dbraw/zinc/30/40/64/589304064.db2.gz FQEJNWAYUILGDZ-RVKKMQEKSA-N 1 3 334.464 0.474 20 0 ECADHO CN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CCC([NH3+])CC1 ZINC000848616382 589304073 /nfs/dbraw/zinc/30/40/73/589304073.db2.gz KVCIDMLGYBANJZ-QDIHITRGSA-N 1 3 336.480 0.848 20 0 ECADHO C[C@H]1CN(C(=[NH2+])NCCCN2CCN(c3ccncc3)CC2)CCO1 ZINC000849093931 589319678 /nfs/dbraw/zinc/31/96/78/589319678.db2.gz QBQXNSBWBDRCFI-INIZCTEOSA-N 1 3 346.479 0.839 20 0 ECADHO C[C@@H]1CN(C(=[NH2+])NCCCN2CCN(c3ccncc3)CC2)CCO1 ZINC000849093932 589319730 /nfs/dbraw/zinc/31/97/30/589319730.db2.gz QBQXNSBWBDRCFI-MRXNPFEDSA-N 1 3 346.479 0.839 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000851686097 589413884 /nfs/dbraw/zinc/41/38/84/589413884.db2.gz JCVJCQVVXGPRSP-KXBFYZLASA-N 1 3 346.475 0.739 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851689074 589415054 /nfs/dbraw/zinc/41/50/54/589415054.db2.gz IMRZTNJQYIHBBO-FMKPAKJESA-N 1 3 334.464 0.330 20 0 ECADHO [NH3+][C@@H](CC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000852930238 589527230 /nfs/dbraw/zinc/52/72/30/589527230.db2.gz HEEWMAHVUMEMRF-GJZGRUSLSA-N 1 3 346.479 0.653 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000859220891 589808486 /nfs/dbraw/zinc/80/84/86/589808486.db2.gz BGKOYACXOWHUOB-UHFFFAOYSA-N 1 3 348.451 0.035 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867623272 589816802 /nfs/dbraw/zinc/81/68/02/589816802.db2.gz DDDWNQCZFJETGU-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867623272 589816804 /nfs/dbraw/zinc/81/68/04/589816804.db2.gz DDDWNQCZFJETGU-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868014286 589868696 /nfs/dbraw/zinc/86/86/96/589868696.db2.gz YTOUMWJNURDBKS-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868014286 589868697 /nfs/dbraw/zinc/86/86/97/589868697.db2.gz YTOUMWJNURDBKS-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861731119 589882864 /nfs/dbraw/zinc/88/28/64/589882864.db2.gz QDJIRFKAXAZUKM-KGLIPLIRSA-N 1 3 326.485 0.809 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000868302464 589890766 /nfs/dbraw/zinc/89/07/66/589890766.db2.gz JRCYZNXASMOCQA-BETUJISGSA-N 1 3 334.420 0.419 20 0 ECADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868310020 589891182 /nfs/dbraw/zinc/89/11/82/589891182.db2.gz PXNCJOJLVWTIGK-GOEBONIOSA-N 1 3 330.432 0.897 20 0 ECADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868310020 589891183 /nfs/dbraw/zinc/89/11/83/589891183.db2.gz PXNCJOJLVWTIGK-GOEBONIOSA-N 1 3 330.432 0.897 20 0 ECADHO Cc1noc(CCCN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)n1 ZINC000863547088 590022022 /nfs/dbraw/zinc/02/20/22/590022022.db2.gz HUUWLBMPZJJXHY-KGLIPLIRSA-N 1 3 335.408 0.568 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCOC2CCOCC2)CC1 ZINC000863548382 590022403 /nfs/dbraw/zinc/02/24/03/590022403.db2.gz PTGKKLVVAGKHFT-JKSUJKDBSA-N 1 3 339.436 0.439 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000865125766 590126365 /nfs/dbraw/zinc/12/63/65/590126365.db2.gz KEEUBYKLFZGUPD-KBPBESRZSA-N 1 3 342.484 0.994 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000873106167 590183162 /nfs/dbraw/zinc/18/31/62/590183162.db2.gz IGGZBJYLYPDZCM-KBXCAEBGSA-N 1 3 330.432 0.755 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875055572 590265813 /nfs/dbraw/zinc/26/58/13/590265813.db2.gz ALJJNWIKHROPDP-WBVHZDCISA-N 1 3 337.512 0.748 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000875055572 590265815 /nfs/dbraw/zinc/26/58/15/590265815.db2.gz ALJJNWIKHROPDP-WBVHZDCISA-N 1 3 337.512 0.748 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875167169 590277419 /nfs/dbraw/zinc/27/74/19/590277419.db2.gz JLHLGVIGDLPUCT-AWEZNQCLSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875167169 590277420 /nfs/dbraw/zinc/27/74/20/590277420.db2.gz JLHLGVIGDLPUCT-AWEZNQCLSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)C[C@H](N)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876518932 590384666 /nfs/dbraw/zinc/38/46/66/590384666.db2.gz NEFQLJBABXNTBK-HNNXBMFYSA-N 1 3 334.420 0.423 20 0 ECADHO CN(C)C[C@H](N)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000876521190 590384950 /nfs/dbraw/zinc/38/49/50/590384950.db2.gz SBILCJFSJOAOLI-GJZGRUSLSA-N 1 3 334.420 0.423 20 0 ECADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000876749798 590408717 /nfs/dbraw/zinc/40/87/17/590408717.db2.gz QQXNTDVQUVOFQA-BKBYIFCJSA-N 1 3 336.480 0.457 20 0 ECADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752676 590408723 /nfs/dbraw/zinc/40/87/23/590408723.db2.gz WDKFDYPQAMUZPR-KJPDOMRESA-N 1 3 334.464 0.309 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876752007 590408905 /nfs/dbraw/zinc/40/89/05/590408905.db2.gz DGDYZHXCKRBMCQ-XITLMJRVSA-N 1 3 336.480 0.555 20 0 ECADHO CCN1CCN(CCNC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876781976 590414783 /nfs/dbraw/zinc/41/47/83/590414783.db2.gz TZSGREDIGTYXEQ-INIZCTEOSA-N 1 3 348.495 0.483 20 0 ECADHO CN1CCN(CC2CCN(C(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)CC2)CC1 ZINC000876877214 590420913 /nfs/dbraw/zinc/42/09/13/590420913.db2.gz QGUUKFWYOQKVIA-KBPBESRZSA-N 1 3 330.423 0.312 20 0 ECADHO Cn1ncc(CN)c1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000876925655 590427511 /nfs/dbraw/zinc/42/75/11/590427511.db2.gz AWKBGCQFDKMVGF-CABCVRRESA-N 1 3 331.395 0.975 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)c2)nn1 ZINC000877206921 590445337 /nfs/dbraw/zinc/44/53/37/590445337.db2.gz OWYPZLFJMFHXOU-DOTOQJQBSA-N 1 3 326.404 0.342 20 0 ECADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881474882 590457306 /nfs/dbraw/zinc/45/73/06/590457306.db2.gz TVUJCNLXFLMESV-IRXDYDNUSA-N 1 3 336.480 0.136 20 0 ECADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1(C)C ZINC000877332282 590458050 /nfs/dbraw/zinc/45/80/50/590458050.db2.gz XPQAPSKPWBWRBH-HBUWYVDXSA-N 1 3 339.480 0.794 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000881624187 590461760 /nfs/dbraw/zinc/46/17/60/590461760.db2.gz IPWIYWGPXQGTLH-MRXNPFEDSA-N 1 3 348.491 0.946 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000881624187 590461763 /nfs/dbraw/zinc/46/17/63/590461763.db2.gz IPWIYWGPXQGTLH-MRXNPFEDSA-N 1 3 348.491 0.946 20 0 ECADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000877450778 590466140 /nfs/dbraw/zinc/46/61/40/590466140.db2.gz DZQCQUZLMQMHCU-FVQBIDKESA-N 1 3 332.452 0.901 20 0 ECADHO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NC3CCN(C)CC3)[C@H]2C1 ZINC000878623215 590531434 /nfs/dbraw/zinc/53/14/34/590531434.db2.gz HLIHUFJMNXANRF-BHYGNILZSA-N 1 3 336.480 0.433 20 0 ECADHO CC(C)C[NH2+]C1(CO)CCN(CC(=O)NC2CCN(C)CC2)CC1 ZINC000878670050 590534649 /nfs/dbraw/zinc/53/46/49/590534649.db2.gz GKUDNKSXRZNJEI-UHFFFAOYSA-N 1 3 340.512 0.269 20 0 ECADHO CN1CCC(NC(=O)CN2CCC(CO)([NH2+]CC3CC3)CC2)CC1 ZINC000878693912 590535766 /nfs/dbraw/zinc/53/57/66/590535766.db2.gz JRFKWUJYPWXLFU-UHFFFAOYSA-N 1 3 338.496 0.023 20 0 ECADHO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC(=O)NC2CCN(C)CC2)cn1 ZINC000878950942 590553570 /nfs/dbraw/zinc/55/35/70/590553570.db2.gz ASJSQAUUYBNCRS-WBVHZDCISA-N 1 3 333.480 0.931 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659542 590646653 /nfs/dbraw/zinc/64/66/53/590646653.db2.gz KZWNSQOEIKGGLH-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659542 590646654 /nfs/dbraw/zinc/64/66/54/590646654.db2.gz KZWNSQOEIKGGLH-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974229 590659443 /nfs/dbraw/zinc/65/94/43/590659443.db2.gz PNMDOCRNQYMCGQ-LSDHHAIUSA-N 1 3 338.496 0.822 20 0 ECADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885153097 590688720 /nfs/dbraw/zinc/68/87/20/590688720.db2.gz GDAUYSLNPIIDTK-SJORKVTESA-N 1 3 344.459 0.370 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000884217502 590779053 /nfs/dbraw/zinc/77/90/53/590779053.db2.gz OINWVFKRPRJOJC-MRXNPFEDSA-N 1 3 346.475 0.840 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884314425 590802908 /nfs/dbraw/zinc/80/29/08/590802908.db2.gz JDZYAJLVIWYZSG-ZBFHGGJFSA-N 1 3 331.464 0.903 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884314425 590802912 /nfs/dbraw/zinc/80/29/12/590802912.db2.gz JDZYAJLVIWYZSG-ZBFHGGJFSA-N 1 3 331.464 0.903 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)CN1C1CC1 ZINC000884554426 590856471 /nfs/dbraw/zinc/85/64/71/590856471.db2.gz UDGRDSVCLNSBDG-ZIAGYGMSSA-N 1 3 334.464 0.472 20 0 ECADHO COC(=O)[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000886624847 590866534 /nfs/dbraw/zinc/86/65/34/590866534.db2.gz BGVVLIIBDDMIOB-CVEARBPZSA-N 1 3 339.480 0.714 20 0 ECADHO CN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(CN)CCCCC1 ZINC000884626199 590876147 /nfs/dbraw/zinc/87/61/47/590876147.db2.gz DIHPOFJILYVFMM-CABCVRRESA-N 1 3 336.480 0.849 20 0 ECADHO CN(C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(CN)CCCCC1 ZINC000884626199 590876150 /nfs/dbraw/zinc/87/61/50/590876150.db2.gz DIHPOFJILYVFMM-CABCVRRESA-N 1 3 336.480 0.849 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000884632517 590879475 /nfs/dbraw/zinc/87/94/75/590879475.db2.gz PCCLZWGMPMSIKD-UKRRQHHQSA-N 1 3 345.447 0.362 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884664403 590885864 /nfs/dbraw/zinc/88/58/64/590885864.db2.gz KWDZALHTMVXGCK-ZNMIVQPWSA-N 1 3 336.480 0.576 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884664401 590885992 /nfs/dbraw/zinc/88/59/92/590885992.db2.gz KWDZALHTMVXGCK-KFWWJZLASA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000884675059 590888963 /nfs/dbraw/zinc/88/89/63/590888963.db2.gz QQBWZPDXAFMPFG-AWEZNQCLSA-N 1 3 345.447 0.235 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000884686458 590894549 /nfs/dbraw/zinc/89/45/49/590894549.db2.gz JVDWSNBSCRWYAC-KRWDZBQOSA-N 1 3 346.475 0.883 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884720123 590908571 /nfs/dbraw/zinc/90/85/71/590908571.db2.gz GRRSQFFZAAJLHZ-UUCFBXCCSA-N 1 3 326.485 0.999 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000884751857 590915992 /nfs/dbraw/zinc/91/59/92/590915992.db2.gz PLEZWIUORZJZCR-AWEZNQCLSA-N 1 3 345.447 0.364 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000887091265 590942496 /nfs/dbraw/zinc/94/24/96/590942496.db2.gz GDRDSYNQPPPVTJ-CQSZACIVSA-N 1 3 333.436 0.187 20 0 ECADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000924632999 611419579 /nfs/dbraw/zinc/41/95/79/611419579.db2.gz GSQXFDBXZQPANM-JWTNVVGKSA-N 1 3 344.507 0.919 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924697203 611423736 /nfs/dbraw/zinc/42/37/36/611423736.db2.gz PZDPQFUERRPRBG-FVQBIDKESA-N 1 3 330.432 0.989 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924697203 611423738 /nfs/dbraw/zinc/42/37/38/611423738.db2.gz PZDPQFUERRPRBG-FVQBIDKESA-N 1 3 330.432 0.989 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779352 611472187 /nfs/dbraw/zinc/47/21/87/611472187.db2.gz NPNALYFXDOLXPE-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779352 611472188 /nfs/dbraw/zinc/47/21/88/611472188.db2.gz NPNALYFXDOLXPE-QXSJWSMHSA-N 1 3 336.480 0.515 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCC[C@H]1CN1CCCCC1 ZINC000926316845 611534106 /nfs/dbraw/zinc/53/41/06/611534106.db2.gz XVFNDRNHHIZJKS-YESZJQIVSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@@H]1C[NH3+] ZINC000926325093 611535233 /nfs/dbraw/zinc/53/52/33/611535233.db2.gz YVRBLIBPCMENSO-LSDHHAIUSA-N 1 3 338.496 0.763 20 0 ECADHO C(CN1CC[C@@H](C2OCCO2)C1)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000304 611591869 /nfs/dbraw/zinc/59/18/69/611591869.db2.gz CBTPVKDSSDEXLK-GASCZTMLSA-N 1 3 326.437 0.766 20 0 ECADHO C(CN1CC[C@@H](C2OCCO2)C1)C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000304 611591871 /nfs/dbraw/zinc/59/18/71/611591871.db2.gz CBTPVKDSSDEXLK-GASCZTMLSA-N 1 3 326.437 0.766 20 0 ECADHO C(CN1CC[C@H](C2OCCO2)C1)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000304 611591873 /nfs/dbraw/zinc/59/18/73/611591873.db2.gz CBTPVKDSSDEXLK-GASCZTMLSA-N 1 3 326.437 0.766 20 0 ECADHO C(CN1CC[C@H](C2OCCO2)C1)C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000304 611591875 /nfs/dbraw/zinc/59/18/75/611591875.db2.gz CBTPVKDSSDEXLK-GASCZTMLSA-N 1 3 326.437 0.766 20 0 ECADHO O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CCN1C1CCOCC1 ZINC000927648890 611625860 /nfs/dbraw/zinc/62/58/60/611625860.db2.gz SEKIMLGUUSXPQM-MRXNPFEDSA-N 1 3 333.436 0.468 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000928104585 608677103 /nfs/dbraw/zinc/67/71/03/608677103.db2.gz PCXUFZCHYOXNKN-ILXRZTDVSA-N 1 3 327.494 0.651 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928104585 608677107 /nfs/dbraw/zinc/67/71/07/608677107.db2.gz PCXUFZCHYOXNKN-ILXRZTDVSA-N 1 3 327.494 0.651 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928104585 608677111 /nfs/dbraw/zinc/67/71/11/608677111.db2.gz PCXUFZCHYOXNKN-ILXRZTDVSA-N 1 3 327.494 0.651 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933848908 608777147 /nfs/dbraw/zinc/77/71/47/608777147.db2.gz WQINYFYNZOLQRX-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928559463 611700208 /nfs/dbraw/zinc/70/02/08/611700208.db2.gz YEZHSADBKQASHQ-GEEKYZPCSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928559463 611700211 /nfs/dbraw/zinc/70/02/11/611700211.db2.gz YEZHSADBKQASHQ-GEEKYZPCSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@H]1CNC(=O)[C@H]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928559463 611700213 /nfs/dbraw/zinc/70/02/13/611700213.db2.gz YEZHSADBKQASHQ-GEEKYZPCSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CC[C@H]1CNC(=O)[C@H]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928559463 611700215 /nfs/dbraw/zinc/70/02/15/611700215.db2.gz YEZHSADBKQASHQ-GEEKYZPCSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1C[C@@H](C(=O)NC[C@H]2CCN2C)[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928560978 611700858 /nfs/dbraw/zinc/70/08/58/611700858.db2.gz WYQHPRIYPQKQFU-JGPUMOJJSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H]1C[C@@H](C(=O)NC[C@H]2CCN2C)[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928560978 611700861 /nfs/dbraw/zinc/70/08/61/611700861.db2.gz WYQHPRIYPQKQFU-JGPUMOJJSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)[C@@H](C(=O)NC[C@@H]2CCN2C)C1 ZINC000928560978 611700863 /nfs/dbraw/zinc/70/08/63/611700863.db2.gz WYQHPRIYPQKQFU-JGPUMOJJSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2C)[C@@H](C(=O)NC[C@@H]2CCN2C)C1 ZINC000928560978 611700866 /nfs/dbraw/zinc/70/08/66/611700866.db2.gz WYQHPRIYPQKQFU-JGPUMOJJSA-N 1 3 336.480 0.289 20 0 ECADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H](CO)C[NH+]1CCCC1 ZINC000908203696 609647385 /nfs/dbraw/zinc/64/73/85/609647385.db2.gz NJSKEJSZQHIYOR-INIZCTEOSA-N 1 3 339.480 0.594 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000938307669 609687730 /nfs/dbraw/zinc/68/77/30/609687730.db2.gz BEZJSZSYWSDJMT-HOTGVXAUSA-N 1 3 348.491 0.816 20 0 ECADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909317740 609692119 /nfs/dbraw/zinc/69/21/19/609692119.db2.gz IGWHPFIVGKHOEB-AWEZNQCLSA-N 1 3 326.485 0.871 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000938309170 609714093 /nfs/dbraw/zinc/71/40/93/609714093.db2.gz NIHFYPFCRIOFMW-HNNXBMFYSA-N 1 3 334.464 0.428 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000910366747 609717171 /nfs/dbraw/zinc/71/71/71/609717171.db2.gz ROXJPBTWUZVMAI-UHFFFAOYSA-N 1 3 349.479 0.772 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000910366747 609717172 /nfs/dbraw/zinc/71/71/72/609717172.db2.gz ROXJPBTWUZVMAI-UHFFFAOYSA-N 1 3 349.479 0.772 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+])N1CCCCC1 ZINC000910954507 609782471 /nfs/dbraw/zinc/78/24/71/609782471.db2.gz AHLXWOIHIGZPDH-RDTXWAMCSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911028440 609794696 /nfs/dbraw/zinc/79/46/96/609794696.db2.gz IBTNURWMMMUDHN-ZJIFWQFVSA-N 1 3 338.496 0.585 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911054055 609795154 /nfs/dbraw/zinc/79/51/54/609795154.db2.gz CDVNZPUZBOCHPD-OAGGEKHMSA-N 1 3 338.496 0.810 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911055340 609795919 /nfs/dbraw/zinc/79/59/19/609795919.db2.gz NKWNUKCTEMZCAG-DAYGRLMNSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911332136 609849962 /nfs/dbraw/zinc/84/99/62/609849962.db2.gz OAJYXJGGONGLLS-JYJNAYRXSA-N 1 3 338.496 0.666 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914235029 609868536 /nfs/dbraw/zinc/86/85/36/609868536.db2.gz KEBOWCFVVNDBTL-CVEARBPZSA-N 1 3 347.525 0.749 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000911534739 609887261 /nfs/dbraw/zinc/88/72/61/609887261.db2.gz WXESJWKVIPKPBN-UHFFFAOYSA-N 1 3 346.475 0.822 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911559148 609894889 /nfs/dbraw/zinc/89/48/89/609894889.db2.gz AQEOJKSNFPRXPP-ULQDDVLXSA-N 1 3 344.459 0.573 20 0 ECADHO COC(OC)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500327 609914498 /nfs/dbraw/zinc/91/44/98/609914498.db2.gz JYJFXWLIWNOYHD-CYBMUJFWSA-N 1 3 342.484 0.852 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000912732713 609997393 /nfs/dbraw/zinc/99/73/93/609997393.db2.gz FYUMCNVMANEQSJ-HNNXBMFYSA-N 1 3 337.468 0.628 20 0 ECADHO CN(CC(=O)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC000941645165 610438238 /nfs/dbraw/zinc/43/82/38/610438238.db2.gz GONZKONSWITXRX-OAHLLOKOSA-N 1 3 348.491 0.816 20 0 ECADHO CN(CC(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000941672955 610446542 /nfs/dbraw/zinc/44/65/42/610446542.db2.gz DKMMCJAPPVCTMO-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000941672955 610446543 /nfs/dbraw/zinc/44/65/43/610446543.db2.gz DKMMCJAPPVCTMO-HUUCEWRRSA-N 1 3 336.480 0.530 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000941694886 610467756 /nfs/dbraw/zinc/46/77/56/610467756.db2.gz RIFYWAQZNHREDS-OAHLLOKOSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943264841 610768575 /nfs/dbraw/zinc/76/85/75/610768575.db2.gz MLFJJIOQFGXWPY-ZIAGYGMSSA-N 1 3 333.436 0.401 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000943264841 610768576 /nfs/dbraw/zinc/76/85/76/610768576.db2.gz MLFJJIOQFGXWPY-ZIAGYGMSSA-N 1 3 333.436 0.401 20 0 ECADHO CN(CCN1CC[NH2+]CC1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000923283540 611223483 /nfs/dbraw/zinc/22/34/83/611223483.db2.gz BQCHEUKYTIRRNN-OAHLLOKOSA-N 1 3 327.856 0.917 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000923279451 611223675 /nfs/dbraw/zinc/22/36/75/611223675.db2.gz AYFGFDVTFMOZIS-WFASDCNBSA-N 1 3 327.375 0.785 20 0 ECADHO Cn1ccnc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1=O ZINC000923324791 611229742 /nfs/dbraw/zinc/22/97/42/611229742.db2.gz LCOPPRFIFCQDRE-MQVJKMGUSA-N 1 3 331.464 0.823 20 0 ECADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H]([NH2+]CCO)C1)c1ccccc1 ZINC000923405097 611239263 /nfs/dbraw/zinc/23/92/63/611239263.db2.gz ATCPLZGMDOCNCQ-ZWKOTPCHSA-N 1 3 348.491 0.452 20 0 ECADHO C[C@@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[C@H]1C[NH3+] ZINC000923505528 611252752 /nfs/dbraw/zinc/25/27/52/611252752.db2.gz ASQDBTOEVXWRIP-CABCVRRESA-N 1 3 348.447 0.481 20 0 ECADHO C[C@@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[C@@H]1C[NH3+] ZINC000923505530 611252861 /nfs/dbraw/zinc/25/28/61/611252861.db2.gz ASQDBTOEVXWRIP-HUUCEWRRSA-N 1 3 348.447 0.481 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946517537 611296500 /nfs/dbraw/zinc/29/65/00/611296500.db2.gz IMHDOIACEPOSLK-VVLHAWIVSA-N 1 3 348.491 0.530 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946517537 611296502 /nfs/dbraw/zinc/29/65/02/611296502.db2.gz IMHDOIACEPOSLK-VVLHAWIVSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518436 611297604 /nfs/dbraw/zinc/29/76/04/611297604.db2.gz UKWQKHDHKAUIFT-QKPAOTATSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518436 611297605 /nfs/dbraw/zinc/29/76/05/611297605.db2.gz UKWQKHDHKAUIFT-QKPAOTATSA-N 1 3 336.480 0.515 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000929503934 611759911 /nfs/dbraw/zinc/75/99/11/611759911.db2.gz COEXXJSIOJGNHH-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000929503934 611759912 /nfs/dbraw/zinc/75/99/12/611759912.db2.gz COEXXJSIOJGNHH-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000950786161 611908540 /nfs/dbraw/zinc/90/85/40/611908540.db2.gz PNOWWAWJRLFTNG-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000950420557 612013268 /nfs/dbraw/zinc/01/32/68/612013268.db2.gz WJOYZSLINOJCQQ-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000950460024 612028779 /nfs/dbraw/zinc/02/87/79/612028779.db2.gz DLKAFIBQKFCFLH-GDBMZVCRSA-N 1 3 347.463 0.647 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000950460024 612028780 /nfs/dbraw/zinc/02/87/80/612028780.db2.gz DLKAFIBQKFCFLH-GDBMZVCRSA-N 1 3 347.463 0.647 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000951238861 612096949 /nfs/dbraw/zinc/09/69/49/612096949.db2.gz PVCAZSVJJMWNMI-OAHLLOKOSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000953905220 612422089 /nfs/dbraw/zinc/42/20/89/612422089.db2.gz UHPUSGDNIHQVEQ-IRXDYDNUSA-N 1 3 348.491 0.624 20 0 ECADHO CN(C(=O)C12CCC[NH+](CCC1)C2)C1CN(C(=O)CN2CCCC2)C1 ZINC000954644244 612484877 /nfs/dbraw/zinc/48/48/77/612484877.db2.gz RYIVOOVUGQEZBU-UHFFFAOYSA-N 1 3 348.491 0.627 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000955443889 612592366 /nfs/dbraw/zinc/59/23/66/612592366.db2.gz MHSYRAMMWPBZRK-ZBFHGGJFSA-N 1 3 345.447 0.638 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000955443889 612592370 /nfs/dbraw/zinc/59/23/70/612592370.db2.gz MHSYRAMMWPBZRK-ZBFHGGJFSA-N 1 3 345.447 0.638 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC000954824728 612717330 /nfs/dbraw/zinc/71/73/30/612717330.db2.gz NTRLVWCUHCIVIW-HNNXBMFYSA-N 1 3 336.480 0.624 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000954323293 612853315 /nfs/dbraw/zinc/85/33/15/612853315.db2.gz AGHALTIMBXHTDV-UHFFFAOYSA-N 1 3 348.491 0.627 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000954326329 612857658 /nfs/dbraw/zinc/85/76/58/612857658.db2.gz PUKYRZDRVSSPBG-UHFFFAOYSA-N 1 3 336.480 0.627 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000956374264 612860889 /nfs/dbraw/zinc/86/08/89/612860889.db2.gz BXYLVOBTONODDY-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000956374264 612860892 /nfs/dbraw/zinc/86/08/92/612860892.db2.gz BXYLVOBTONODDY-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000956497033 612903928 /nfs/dbraw/zinc/90/39/28/612903928.db2.gz KJFMSSIBVGOGSG-DZGCQCFKSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000956497033 612903931 /nfs/dbraw/zinc/90/39/31/612903931.db2.gz KJFMSSIBVGOGSG-DZGCQCFKSA-N 1 3 347.463 0.647 20 0 ECADHO [NH3+]Cc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncn1 ZINC001164740160 720665003 /nfs/dbraw/zinc/66/50/03/720665003.db2.gz QKQCEHZGHONUAK-ZIAGYGMSSA-N 1 3 327.392 0.067 20 0 ECADHO COCC[N@@H+]1CCO[C@H]2CN(c3ncc4c(n3)CCNC4)CC[C@@H]2C1 ZINC001164849649 720841169 /nfs/dbraw/zinc/84/11/69/720841169.db2.gz CGEZIGZKYUMPJZ-PBHICJAKSA-N 1 3 347.463 0.296 20 0 ECADHO COCC[N@H+]1CCO[C@H]2CN(c3ncc4c(n3)CCNC4)CC[C@@H]2C1 ZINC001164849649 720841170 /nfs/dbraw/zinc/84/11/70/720841170.db2.gz CGEZIGZKYUMPJZ-PBHICJAKSA-N 1 3 347.463 0.296 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCCN2CCn2cncn2)C1 ZINC000969144798 731523642 /nfs/dbraw/zinc/52/36/42/731523642.db2.gz UGKGGAXORPLJSY-CVEARBPZSA-N 1 3 334.468 0.591 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCCN2CCn2cncn2)C1 ZINC000969144798 731523643 /nfs/dbraw/zinc/52/36/43/731523643.db2.gz UGKGGAXORPLJSY-CVEARBPZSA-N 1 3 334.468 0.591 20 0 ECADHO CCNC(=O)CN[C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208457474 731799540 /nfs/dbraw/zinc/79/95/40/731799540.db2.gz WELZSKFPGHYKQS-HNNXBMFYSA-N 1 3 347.463 0.625 20 0 ECADHO CNC(=O)CN[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208717310 731932617 /nfs/dbraw/zinc/93/26/17/731932617.db2.gz JHHMGRYYOBECRY-INIZCTEOSA-N 1 3 346.475 0.731 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000969594989 731992753 /nfs/dbraw/zinc/99/27/53/731992753.db2.gz FJNLWRIKSQHHOF-FVQBIDKESA-N 1 3 334.464 0.425 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCCC2)C1)N(C)C ZINC000969991158 732598424 /nfs/dbraw/zinc/59/84/24/732598424.db2.gz GDBCBRGDDFBGIE-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](CCNC(=O)CCC[NH+](C)C)NC(=O)CN1CCC[C@@H]1C ZINC001078084675 782277878 /nfs/dbraw/zinc/27/78/78/782277878.db2.gz CRJMHCNOWURLMB-GJZGRUSLSA-N 1 3 326.485 0.824 20 0 ECADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209484741 732993193 /nfs/dbraw/zinc/99/31/93/732993193.db2.gz KHTNWKNSTSHIJF-GOEBONIOSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1)N(C)C ZINC001209668112 733031462 /nfs/dbraw/zinc/03/14/62/733031462.db2.gz BIQLOEKCLLRNIX-CVEARBPZSA-N 1 3 338.496 0.824 20 0 ECADHO CCCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225668 733068820 /nfs/dbraw/zinc/06/88/20/733068820.db2.gz WOCYQEIMLNHDBV-HNNXBMFYSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]Cc3cnnn3C)CC2)C1 ZINC001167232677 733077351 /nfs/dbraw/zinc/07/73/51/733077351.db2.gz MCLRGUBRAGESKT-CQSZACIVSA-N 1 3 334.468 0.533 20 0 ECADHO C[C@H]([NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1)C(N)=O ZINC001167240901 733087292 /nfs/dbraw/zinc/08/72/92/733087292.db2.gz UIXNOCRIPDTZGV-ZDUSSCGKSA-N 1 3 326.485 0.714 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC000970477790 733592289 /nfs/dbraw/zinc/59/22/89/733592289.db2.gz DMPPXWCVEUKRNQ-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC000970477790 733592290 /nfs/dbraw/zinc/59/22/90/733592290.db2.gz DMPPXWCVEUKRNQ-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC)C1 ZINC001104363029 734722972 /nfs/dbraw/zinc/72/29/72/734722972.db2.gz VQCTZNKGRVGXHR-RBSFLKMASA-N 1 3 340.512 0.925 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@@H]2CCN(CC)C2=O)CC1 ZINC001167480843 734823497 /nfs/dbraw/zinc/82/34/97/734823497.db2.gz SZLRYPNAZQLSCL-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC001167480916 734826688 /nfs/dbraw/zinc/82/66/88/734826688.db2.gz XAYWPQQKOABIKL-OAHLLOKOSA-N 1 3 348.495 0.983 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N(C)CCN2CCCC2=O)C1)[NH+](C)C ZINC000971731453 734998978 /nfs/dbraw/zinc/99/89/78/734998978.db2.gz VQTQGUXISUCBMF-WBVHZDCISA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)CN(C)CC(C)(C)C ZINC001078200215 782480179 /nfs/dbraw/zinc/48/01/79/782480179.db2.gz ONUDNXIERYSUMV-AWEZNQCLSA-N 1 3 328.501 0.927 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971862366 735268395 /nfs/dbraw/zinc/26/83/95/735268395.db2.gz ZXDNSHQYZYARPK-HNNXBMFYSA-N 1 3 332.452 0.439 20 0 ECADHO Cc1nc(C)n(CCN2CCC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001006399431 751350288 /nfs/dbraw/zinc/35/02/88/751350288.db2.gz KHWUFUYLMSXOHY-INIZCTEOSA-N 1 3 348.495 0.769 20 0 ECADHO Cc1nc(C)n(CCN2CCC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001006399431 751350295 /nfs/dbraw/zinc/35/02/95/751350295.db2.gz KHWUFUYLMSXOHY-INIZCTEOSA-N 1 3 348.495 0.769 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001167626461 736146768 /nfs/dbraw/zinc/14/67/68/736146768.db2.gz BSVDQJVJKGJHAU-INIZCTEOSA-N 1 3 338.496 0.871 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001167633372 736179090 /nfs/dbraw/zinc/17/90/90/736179090.db2.gz BUUFIWKKJMJJDH-OAHLLOKOSA-N 1 3 347.525 0.780 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001167636702 736189563 /nfs/dbraw/zinc/18/95/63/736189563.db2.gz YQLFPKRRDGKOLD-CABCVRRESA-N 1 3 326.485 0.822 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001023130475 736525998 /nfs/dbraw/zinc/52/59/98/736525998.db2.gz QBAAUBTWHAXUBE-IXDOHACOSA-N 1 3 346.475 0.997 20 0 ECADHO Cn1cnnc1CNC[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001024018213 737623247 /nfs/dbraw/zinc/62/32/47/737623247.db2.gz LRPGIJHUVVNTHW-CZUORRHYSA-N 1 3 334.468 0.484 20 0 ECADHO Cn1cnnc1CNC[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001024018214 737623318 /nfs/dbraw/zinc/62/33/18/737623318.db2.gz LRPGIJHUVVNTHW-XJKSGUPXSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](CNCc2nncn2C)C1 ZINC001024156247 737783243 /nfs/dbraw/zinc/78/32/43/737783243.db2.gz JZFQMOKPTFYXQG-HUUCEWRRSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](CNCc2nncn2C)C1 ZINC001024156247 737783248 /nfs/dbraw/zinc/78/32/48/737783248.db2.gz JZFQMOKPTFYXQG-HUUCEWRRSA-N 1 3 334.468 0.628 20 0 ECADHO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1CCN1CCNC1=O ZINC001024365560 737923501 /nfs/dbraw/zinc/92/35/01/737923501.db2.gz CTOKCAJKKXETGC-HUUCEWRRSA-N 1 3 337.468 0.077 20 0 ECADHO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1CCN1CCNC1=O ZINC001024365560 737923504 /nfs/dbraw/zinc/92/35/04/737923504.db2.gz CTOKCAJKKXETGC-HUUCEWRRSA-N 1 3 337.468 0.077 20 0 ECADHO C[C@H](O)CN1CCCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001024443655 737978132 /nfs/dbraw/zinc/97/81/32/737978132.db2.gz ODIYERSGSFZDQL-LSDHHAIUSA-N 1 3 337.468 0.410 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000973461801 739332539 /nfs/dbraw/zinc/33/25/39/739332539.db2.gz NSUJKKALKDIASY-BZUAXINKSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000973466227 739335164 /nfs/dbraw/zinc/33/51/64/739335164.db2.gz KSGFBEMWVWPVGF-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000973466227 739335169 /nfs/dbraw/zinc/33/51/69/739335169.db2.gz KSGFBEMWVWPVGF-QKPAOTATSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000973467339 739338735 /nfs/dbraw/zinc/33/87/35/739338735.db2.gz KHBSLCHHCWIZNJ-KKUMJFAQSA-N 1 3 334.464 0.187 20 0 ECADHO COCCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729627 739555908 /nfs/dbraw/zinc/55/59/08/739555908.db2.gz XPKUVWRWMSQFFK-HUUCEWRRSA-N 1 3 338.452 0.689 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026043464 740336790 /nfs/dbraw/zinc/33/67/90/740336790.db2.gz ZBWPAXZGGMBULK-LCEIHVTHSA-N 1 3 348.491 0.433 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026043464 740336793 /nfs/dbraw/zinc/33/67/93/740336793.db2.gz ZBWPAXZGGMBULK-LCEIHVTHSA-N 1 3 348.491 0.433 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001026086874 740364591 /nfs/dbraw/zinc/36/45/91/740364591.db2.gz XZTYLIPAFPEYHZ-ALYAQQCSSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001026086874 740364595 /nfs/dbraw/zinc/36/45/95/740364595.db2.gz XZTYLIPAFPEYHZ-ALYAQQCSSA-N 1 3 348.491 0.526 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)C1 ZINC000982116110 751608363 /nfs/dbraw/zinc/60/83/63/751608363.db2.gz GNDJGMZUXVYHOT-INIZCTEOSA-N 1 3 346.479 0.544 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)C1 ZINC000982116110 751608365 /nfs/dbraw/zinc/60/83/65/751608365.db2.gz GNDJGMZUXVYHOT-INIZCTEOSA-N 1 3 346.479 0.544 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000974275488 741217428 /nfs/dbraw/zinc/21/74/28/741217428.db2.gz RQAFAGRUKOKFRI-BMFZPTHFSA-N 1 3 336.480 0.576 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001026726759 741722727 /nfs/dbraw/zinc/72/27/27/741722727.db2.gz FFOSSEOHPFPXAO-JKSUJKDBSA-N 1 3 332.448 0.418 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326838 741802989 /nfs/dbraw/zinc/80/29/89/741802989.db2.gz IWDORUCLZBKZFR-CZUORRHYSA-N 1 3 334.468 0.749 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326838 741802997 /nfs/dbraw/zinc/80/29/97/741802997.db2.gz IWDORUCLZBKZFR-CZUORRHYSA-N 1 3 334.468 0.749 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105326656 741809018 /nfs/dbraw/zinc/80/90/18/741809018.db2.gz APBCWJFQGCJEPM-CQSZACIVSA-N 1 3 334.468 0.893 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105326656 741809023 /nfs/dbraw/zinc/80/90/23/741809023.db2.gz APBCWJFQGCJEPM-CQSZACIVSA-N 1 3 334.468 0.893 20 0 ECADHO CC(C)CCNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326675 741809345 /nfs/dbraw/zinc/80/93/45/741809345.db2.gz BGHWNGVYJMZCLI-WMLDXEAASA-N 1 3 348.495 0.995 20 0 ECADHO CC(C)CCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326675 741809349 /nfs/dbraw/zinc/80/93/49/741809349.db2.gz BGHWNGVYJMZCLI-WMLDXEAASA-N 1 3 348.495 0.995 20 0 ECADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001026847137 741954770 /nfs/dbraw/zinc/95/47/70/741954770.db2.gz IGIYTEIACGLOAV-GDBMZVCRSA-N 1 3 331.464 0.700 20 0 ECADHO Cn1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001026848312 741957213 /nfs/dbraw/zinc/95/72/13/741957213.db2.gz XYFJZDZSSCKQLM-XJKSGUPXSA-N 1 3 332.452 0.095 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026874861 742006924 /nfs/dbraw/zinc/00/69/24/742006924.db2.gz BNMFJGQIMZSVLP-GDBMZVCRSA-N 1 3 334.468 0.628 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001026874861 742006930 /nfs/dbraw/zinc/00/69/30/742006930.db2.gz BNMFJGQIMZSVLP-GDBMZVCRSA-N 1 3 334.468 0.628 20 0 ECADHO COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC001026889208 742029085 /nfs/dbraw/zinc/02/90/85/742029085.db2.gz UCBAGULUNROKMB-GUYCJALGSA-N 1 3 347.463 0.764 20 0 ECADHO Cn1cc(CNC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001027105278 742573661 /nfs/dbraw/zinc/57/36/61/742573661.db2.gz IYKXNGNVHSTVDI-HNNXBMFYSA-N 1 3 334.468 0.485 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001027139539 742719552 /nfs/dbraw/zinc/71/95/52/742719552.db2.gz LBGTVSGGFMAULV-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000996978910 743087508 /nfs/dbraw/zinc/08/75/08/743087508.db2.gz OYOMWUITTHTKQW-MRXNPFEDSA-N 1 3 336.484 0.965 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC000996996951 743108871 /nfs/dbraw/zinc/10/88/71/743108871.db2.gz CKJLBFBDVLHZIM-HOCLYGCPSA-N 1 3 346.479 0.830 20 0 ECADHO CC1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCCNC3=O)CC2)CC1 ZINC000997115306 743252169 /nfs/dbraw/zinc/25/21/69/743252169.db2.gz LSHVZBBZRVSKDY-MRXNPFEDSA-N 1 3 336.480 0.578 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000997185879 743327277 /nfs/dbraw/zinc/32/72/77/743327277.db2.gz TZVMLFWEKOFVKP-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO COc1ccc(CNC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000997185879 743327286 /nfs/dbraw/zinc/32/72/86/743327286.db2.gz TZVMLFWEKOFVKP-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000997238682 743391980 /nfs/dbraw/zinc/39/19/80/743391980.db2.gz PADWPIPGFTWIJN-UKRRQHHQSA-N 1 3 345.447 0.462 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000997238682 743391987 /nfs/dbraw/zinc/39/19/87/743391987.db2.gz PADWPIPGFTWIJN-UKRRQHHQSA-N 1 3 345.447 0.462 20 0 ECADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000997307834 743471152 /nfs/dbraw/zinc/47/11/52/743471152.db2.gz XCRHLQJISWWIFJ-AWEZNQCLSA-N 1 3 343.493 0.098 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001020586209 751843997 /nfs/dbraw/zinc/84/39/97/751843997.db2.gz IDVQKKPSJHAHOM-KLHDSHLOSA-N 1 3 336.480 0.624 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020590064 751853801 /nfs/dbraw/zinc/85/38/01/751853801.db2.gz LHPSSMXENVAMNL-NEULZYRMSA-N 1 3 340.443 0.324 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(CNCc2cn(C)nn2)CC1 ZINC000998080906 743965789 /nfs/dbraw/zinc/96/57/89/743965789.db2.gz FOFKUDVNTGQVSF-CQSZACIVSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(CNCc2cn(C)nn2)CC1 ZINC000998080906 743965790 /nfs/dbraw/zinc/96/57/90/743965790.db2.gz FOFKUDVNTGQVSF-CQSZACIVSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081643 743967344 /nfs/dbraw/zinc/96/73/44/743967344.db2.gz KXXZEDVOTDBSEE-YOEHRIQHSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081643 743967348 /nfs/dbraw/zinc/96/73/48/743967348.db2.gz KXXZEDVOTDBSEE-YOEHRIQHSA-N 1 3 333.480 0.946 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000998082224 743967873 /nfs/dbraw/zinc/96/78/73/743967873.db2.gz OSJGHKLWQMTZAX-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC1CCN(CC(=O)N2CCC(C[NH2+]Cc3cnnn3C)CC2)CC1 ZINC000998175992 744030439 /nfs/dbraw/zinc/03/04/39/744030439.db2.gz UBQMFLHOKIFPAD-UHFFFAOYSA-N 1 3 348.495 0.875 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000976852979 744400425 /nfs/dbraw/zinc/40/04/25/744400425.db2.gz FKDFKPKEHTZQEK-QXSJWSMHSA-N 1 3 346.475 0.282 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)CCn3cncn3)C2)CCC1 ZINC001027442050 744468700 /nfs/dbraw/zinc/46/87/00/744468700.db2.gz ZUQCIYGEJGYQCO-HNNXBMFYSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)CCC1 ZINC001027442050 744468702 /nfs/dbraw/zinc/46/87/02/744468702.db2.gz ZUQCIYGEJGYQCO-HNNXBMFYSA-N 1 3 334.468 0.685 20 0 ECADHO O=C(CN[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC000999167639 744545669 /nfs/dbraw/zinc/54/56/69/744545669.db2.gz BMWKGMZJZULVTE-JKSUJKDBSA-N 1 3 334.464 0.141 20 0 ECADHO Cn1nccc1CN[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999169160 744546436 /nfs/dbraw/zinc/54/64/36/744546436.db2.gz IYDQJPPMYHMRTM-DOTOQJQBSA-N 1 3 331.464 0.843 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)C1CC1 ZINC000999369831 744661083 /nfs/dbraw/zinc/66/10/83/744661083.db2.gz KOUXJLYEFALKCE-WMZOPIPTSA-N 1 3 346.475 0.806 20 0 ECADHO CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC000999381293 744667952 /nfs/dbraw/zinc/66/79/52/744667952.db2.gz YUWFCDMMJDSKLL-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC000999402910 744678503 /nfs/dbraw/zinc/67/85/03/744678503.db2.gz STTDHMABKYZPKK-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC000999402910 744678507 /nfs/dbraw/zinc/67/85/07/744678507.db2.gz STTDHMABKYZPKK-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999408390 744681526 /nfs/dbraw/zinc/68/15/26/744681526.db2.gz JWCRHYVBTUCRSW-WLYUNCDWSA-N 1 3 334.468 0.719 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999408390 744681528 /nfs/dbraw/zinc/68/15/28/744681528.db2.gz JWCRHYVBTUCRSW-WLYUNCDWSA-N 1 3 334.468 0.719 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1 ZINC000977206383 744766774 /nfs/dbraw/zinc/76/67/74/744766774.db2.gz DIFFCXIRYPEJAY-POORBHPNSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1 ZINC000977206383 744766777 /nfs/dbraw/zinc/76/67/77/744766777.db2.gz DIFFCXIRYPEJAY-POORBHPNSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)C1 ZINC000977209087 744782043 /nfs/dbraw/zinc/78/20/43/744782043.db2.gz PCHXXMJWBDDIPZ-OAEZHTQQSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]32)C1 ZINC000977209087 744782045 /nfs/dbraw/zinc/78/20/45/744782045.db2.gz PCHXXMJWBDDIPZ-OAEZHTQQSA-N 1 3 348.491 0.241 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999853157 744946440 /nfs/dbraw/zinc/94/64/40/744946440.db2.gz RZXLTWDMJRNJQJ-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001020675696 751959243 /nfs/dbraw/zinc/95/92/43/751959243.db2.gz BIJYYMYZGASJOS-KLHDSHLOSA-N 1 3 336.480 0.717 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC000999876210 744983771 /nfs/dbraw/zinc/98/37/71/744983771.db2.gz IFAAKHVVDNHSQO-UYSNPLJNSA-N 1 3 336.480 0.672 20 0 ECADHO Cn1nccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000983717191 745094260 /nfs/dbraw/zinc/09/42/60/745094260.db2.gz YWUIKHOHJOAOPR-SRABZTEZSA-N 1 3 347.463 0.268 20 0 ECADHO C[C@H](NCc1nncn1C)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001029108184 745101500 /nfs/dbraw/zinc/10/15/00/745101500.db2.gz XVFHZTVQRNRSKE-GUYCJALGSA-N 1 3 348.495 0.872 20 0 ECADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001000199087 745336779 /nfs/dbraw/zinc/33/67/79/745336779.db2.gz NRSPQFGUZRKDOA-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001000200034 745339158 /nfs/dbraw/zinc/33/91/58/745339158.db2.gz OJTUWIIVMBSOQM-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CCC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001027547392 745351059 /nfs/dbraw/zinc/35/10/59/745351059.db2.gz XWHGHSJVPUYAFH-LSDHHAIUSA-N 1 3 348.447 0.766 20 0 ECADHO CN(C)Cc1ccoc1C(=O)N1CCC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001027547392 745351061 /nfs/dbraw/zinc/35/10/61/745351061.db2.gz XWHGHSJVPUYAFH-LSDHHAIUSA-N 1 3 348.447 0.766 20 0 ECADHO Cn1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC001000315715 745423167 /nfs/dbraw/zinc/42/31/67/745423167.db2.gz CPSMLLDBKWATDI-AWEZNQCLSA-N 1 3 329.404 0.432 20 0 ECADHO C[C@@H](N[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1)C(N)=O ZINC001000462990 745516972 /nfs/dbraw/zinc/51/69/72/745516972.db2.gz ADSQBKDSPBNQMO-CZUORRHYSA-N 1 3 332.448 0.816 20 0 ECADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001000547076 745584070 /nfs/dbraw/zinc/58/40/70/745584070.db2.gz RMRQIWWYGDLDJV-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000978058073 745838373 /nfs/dbraw/zinc/83/83/73/745838373.db2.gz RWZZCWMEXMERRW-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000978067878 745852210 /nfs/dbraw/zinc/85/22/10/745852210.db2.gz LGSVMEQLMMGSKM-HZPDHXFCSA-N 1 3 348.491 0.482 20 0 ECADHO CN1CC[C@@H](N2CCC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1=O ZINC001001414548 746355029 /nfs/dbraw/zinc/35/50/29/746355029.db2.gz NIAMSVHEBGFBNF-IAGOWNOFSA-N 1 3 348.491 0.387 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001001415780 746355403 /nfs/dbraw/zinc/35/54/03/746355403.db2.gz SPBYGKURHZJSQX-HOTGVXAUSA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CCN([C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001001418728 746358059 /nfs/dbraw/zinc/35/80/59/746358059.db2.gz LIBRWYFVHITYNH-FVQBIDKESA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCC2CCN([C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001001418728 746358062 /nfs/dbraw/zinc/35/80/62/746358062.db2.gz LIBRWYFVHITYNH-FVQBIDKESA-N 1 3 336.480 0.386 20 0 ECADHO Cn1nccc1CCN1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001001447900 746386336 /nfs/dbraw/zinc/38/63/36/746386336.db2.gz DTGCFSZPIFCRCG-INIZCTEOSA-N 1 3 331.464 0.663 20 0 ECADHO Cn1nccc1CCN1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001447900 746386342 /nfs/dbraw/zinc/38/63/42/746386342.db2.gz DTGCFSZPIFCRCG-INIZCTEOSA-N 1 3 331.464 0.663 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CCN(CCn2cncn2)CC1 ZINC001001826864 746750816 /nfs/dbraw/zinc/75/08/16/746750816.db2.gz YIEULGBQORWZHK-GDBMZVCRSA-N 1 3 334.468 0.304 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(CCn2cncn2)CC1 ZINC001001826864 746750819 /nfs/dbraw/zinc/75/08/19/746750819.db2.gz YIEULGBQORWZHK-GDBMZVCRSA-N 1 3 334.468 0.304 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001001885133 746784917 /nfs/dbraw/zinc/78/49/17/746784917.db2.gz GDDKPOFHQPAZHY-INIZCTEOSA-N 1 3 348.491 0.530 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000984805517 746961052 /nfs/dbraw/zinc/96/10/52/746961052.db2.gz TZFFZLWNHOYFMP-FVQBIDKESA-N 1 3 348.495 0.933 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)C1 ZINC000984804694 746961300 /nfs/dbraw/zinc/96/13/00/746961300.db2.gz PZYFMXLJBWOYKU-YHUYYLMFSA-N 1 3 336.480 0.433 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)ncn1 ZINC000984806889 746963071 /nfs/dbraw/zinc/96/30/71/746963071.db2.gz BSWWQLXZEZMVJT-QEWYBTABSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)ncn1 ZINC000984806889 746963077 /nfs/dbraw/zinc/96/30/77/746963077.db2.gz BSWWQLXZEZMVJT-QEWYBTABSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)ncn1 ZINC000984806883 746963308 /nfs/dbraw/zinc/96/33/08/746963308.db2.gz BSWWQLXZEZMVJT-DNNBLBMLSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)ncn1 ZINC000984806883 746963312 /nfs/dbraw/zinc/96/33/12/746963312.db2.gz BSWWQLXZEZMVJT-DNNBLBMLSA-N 1 3 331.464 0.967 20 0 ECADHO COc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)on1 ZINC000984810866 746967000 /nfs/dbraw/zinc/96/70/00/746967000.db2.gz 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CN([C@@H]1CCNC1=O)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985482717 748243895 /nfs/dbraw/zinc/24/38/95/748243895.db2.gz YTZLHPVGMRXMPG-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000985482717 748243899 /nfs/dbraw/zinc/24/38/99/748243899.db2.gz YTZLHPVGMRXMPG-GOEBONIOSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001003332276 748435386 /nfs/dbraw/zinc/43/53/86/748435386.db2.gz XLSSKVDKBBLQCV-OAHLLOKOSA-N 1 3 336.480 0.243 20 0 ECADHO C[N@H+](CCF)C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985542840 748437928 /nfs/dbraw/zinc/43/79/28/748437928.db2.gz CXHZSXBETLGBMC-GNHJJJEISA-N 1 3 325.428 0.742 20 0 ECADHO C[N@@H+](CCF)C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985542840 748437930 /nfs/dbraw/zinc/43/79/30/748437930.db2.gz CXHZSXBETLGBMC-GNHJJJEISA-N 1 3 325.428 0.742 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCc3cnn(C)c3)CC2)C1 ZINC001003626089 748739691 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CCN(CC)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059688940 749466856 /nfs/dbraw/zinc/46/68/56/749466856.db2.gz LXOTWPRIDVADHY-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001059688940 749466858 /nfs/dbraw/zinc/46/68/58/749466858.db2.gz LXOTWPRIDVADHY-HOTGVXAUSA-N 1 3 338.496 0.635 20 0 ECADHO O=C(NC[C@H]1CCCN1CCCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027929507 749514564 /nfs/dbraw/zinc/51/45/64/749514564.db2.gz GOUJJGVNWGLOJM-SJORKVTESA-N 1 3 339.480 0.593 20 0 ECADHO O=C(NC[C@H]1CCCN1CCCO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001027929507 749514569 /nfs/dbraw/zinc/51/45/69/749514569.db2.gz GOUJJGVNWGLOJM-SJORKVTESA-N 1 3 339.480 0.593 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1)C1CC1 ZINC001004456338 749523006 /nfs/dbraw/zinc/52/30/06/749523006.db2.gz DOKVRRSWJPABGW-DOTOQJQBSA-N 1 3 336.480 0.515 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1)C1CC1 ZINC001004456338 749523009 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336.480 0.718 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC000938040057 752738272 /nfs/dbraw/zinc/73/82/72/752738272.db2.gz TXPWAKKTDQHUJN-JONQDZQNSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC000938040057 752738275 /nfs/dbraw/zinc/73/82/75/752738275.db2.gz TXPWAKKTDQHUJN-JONQDZQNSA-N 1 3 338.496 0.774 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000925297208 753086253 /nfs/dbraw/zinc/08/62/53/753086253.db2.gz UGYUDNAIMHJYAT-JKSUJKDBSA-N 1 3 330.432 0.991 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000925297208 753086263 /nfs/dbraw/zinc/08/62/63/753086263.db2.gz UGYUDNAIMHJYAT-JKSUJKDBSA-N 1 3 330.432 0.991 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001030019535 753389832 /nfs/dbraw/zinc/38/98/32/753389832.db2.gz VJZVIPGNLJXLHM-ARFHVFGLSA-N 1 3 338.496 0.917 20 0 ECADHO 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ZINC001014284377 762441406 /nfs/dbraw/zinc/44/14/06/762441406.db2.gz BESAMEWGOKDXGM-JCKWVBRZSA-N 1 3 345.447 0.544 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001076658270 756798373 /nfs/dbraw/zinc/79/83/73/756798373.db2.gz PBUCKTKVQVTLRH-BPUTZDHNSA-N 1 3 338.496 0.679 20 0 ECADHO C[NH+](C)CCc1ccccc1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996100506 756951622 /nfs/dbraw/zinc/95/16/22/756951622.db2.gz PABRTROIGAXOEF-MRXNPFEDSA-N 1 3 346.475 0.716 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001048823608 757112076 /nfs/dbraw/zinc/11/20/76/757112076.db2.gz GETVAVRLUHQFEQ-MXASKKJJSA-N 1 3 348.491 0.195 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN([C@@H](C)C(=O)NC)C[C@H]2C1 ZINC001048849999 757178659 /nfs/dbraw/zinc/17/86/59/757178659.db2.gz WSNIEUHHLXGAPO-JONQDZQNSA-N 1 3 336.480 0.386 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN([C@@H](C)C(=O)NC)C[C@H]2C1 ZINC001048849999 757178663 /nfs/dbraw/zinc/17/86/63/757178663.db2.gz WSNIEUHHLXGAPO-JONQDZQNSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001011208130 757191614 /nfs/dbraw/zinc/19/16/14/757191614.db2.gz IQRUVRDTPFCYOX-OAGGEKHMSA-N 1 3 338.496 0.584 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001011208130 757191618 /nfs/dbraw/zinc/19/16/18/757191618.db2.gz IQRUVRDTPFCYOX-OAGGEKHMSA-N 1 3 338.496 0.584 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001011208938 757193134 /nfs/dbraw/zinc/19/31/34/757193134.db2.gz VUGGZOJGJUNVNX-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011208938 757193138 /nfs/dbraw/zinc/19/31/38/757193138.db2.gz VUGGZOJGJUNVNX-BZUAXINKSA-N 1 3 336.480 0.482 20 0 ECADHO Cn1cc(CN2C[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@@H]3C2)cn1 ZINC001048863535 757218484 /nfs/dbraw/zinc/21/84/84/757218484.db2.gz FYKHCPDHIFNOFE-IXDOHACOSA-N 1 3 331.464 0.651 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001048863642 757220124 /nfs/dbraw/zinc/22/01/24/757220124.db2.gz JSOARGMMQCGNJB-JJAZEVLHSA-N 1 3 348.491 0.384 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996302058 757312098 /nfs/dbraw/zinc/31/20/98/757312098.db2.gz VYVNTXWJWPCRMI-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC000996353504 757453308 /nfs/dbraw/zinc/45/33/08/757453308.db2.gz AHNXHQTXCUXIIC-UKRRQHHQSA-N 1 3 347.463 0.695 20 0 ECADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000996356964 757461466 /nfs/dbraw/zinc/46/14/66/757461466.db2.gz UVSOGSNNIYYUHI-AWEZNQCLSA-N 1 3 333.436 0.401 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)N(C)C ZINC001011317377 757498597 /nfs/dbraw/zinc/49/85/97/757498597.db2.gz KYOMNAATYBXCJN-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1)N(C)C ZINC001011317377 757498605 /nfs/dbraw/zinc/49/86/05/757498605.db2.gz KYOMNAATYBXCJN-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001076952191 757717564 /nfs/dbraw/zinc/71/75/64/757717564.db2.gz QCVFWTBGMIFNNQ-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001076952191 757717572 /nfs/dbraw/zinc/71/75/72/757717572.db2.gz QCVFWTBGMIFNNQ-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001076955784 757740428 /nfs/dbraw/zinc/74/04/28/757740428.db2.gz AJMXMLUKZBJZRF-XJKSGUPXSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H](C1CC1)[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC001076957980 757750219 /nfs/dbraw/zinc/75/02/19/757750219.db2.gz RYSJIDWKSLBEAW-DZGCQCFKSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)C[C@@H]3C2)C1 ZINC001049058619 757815988 /nfs/dbraw/zinc/81/59/88/757815988.db2.gz GWIXMFLMFMEHRY-YESZJQIVSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)C[C@@H]3C2)C1 ZINC001049058619 757816004 /nfs/dbraw/zinc/81/60/04/757816004.db2.gz GWIXMFLMFMEHRY-YESZJQIVSA-N 1 3 348.491 0.341 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001011623799 758157338 /nfs/dbraw/zinc/15/73/38/758157338.db2.gz KQCPPOJRLYCCBV-MRXNPFEDSA-N 1 3 348.491 0.770 20 0 ECADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001051654910 762604743 /nfs/dbraw/zinc/60/47/43/762604743.db2.gz WOSMZFNHUHTGJU-INIZCTEOSA-N 1 3 335.452 0.221 20 0 ECADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]CC2CCOCC2)C1)C1CCC1 ZINC001051656026 762608078 /nfs/dbraw/zinc/60/80/78/762608078.db2.gz YQEFREUUPRCXRC-KRWDZBQOSA-N 1 3 339.480 0.714 20 0 ECADHO CN(C)C1(C(=O)N2CCC([NH2+]C[C@H]3CCc4ncnn43)CC2)CCC1 ZINC000996662082 758375881 /nfs/dbraw/zinc/37/58/81/758375881.db2.gz CLSQBWAZJXYOPW-OAHLLOKOSA-N 1 3 346.479 0.830 20 0 ECADHO CN(C)C1(C(=O)N2CCC([NH2+]C[C@@H]3CCc4ncnn43)CC2)CCC1 ZINC000996662075 758376601 /nfs/dbraw/zinc/37/66/01/758376601.db2.gz CLSQBWAZJXYOPW-HNNXBMFYSA-N 1 3 346.479 0.830 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049234187 758399682 /nfs/dbraw/zinc/39/96/82/758399682.db2.gz YMZCKSAMBCKUFG-XUWVNRHRSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049234187 758399694 /nfs/dbraw/zinc/39/96/94/758399694.db2.gz YMZCKSAMBCKUFG-XUWVNRHRSA-N 1 3 336.480 0.515 20 0 ECADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1=O ZINC000996690931 758485750 /nfs/dbraw/zinc/48/57/50/758485750.db2.gz ADLQFBRTWMDNKZ-CVEARBPZSA-N 1 3 338.496 0.774 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2CCn1cncn1)[NH+](C)C ZINC001049533304 758879945 /nfs/dbraw/zinc/87/99/45/758879945.db2.gz NBWYEMFFAJFIGM-ULQDDVLXSA-N 1 3 348.495 0.930 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001022711634 759023642 /nfs/dbraw/zinc/02/36/42/759023642.db2.gz CHKHEQOGLGCWOE-LJIGWXMPSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001022716491 759032731 /nfs/dbraw/zinc/03/27/31/759032731.db2.gz XWFJAPKXXURHNK-HRCADAONSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC001051683707 762682331 /nfs/dbraw/zinc/68/23/31/762682331.db2.gz NMEGMXGNNGCHSI-JKSUJKDBSA-N 1 3 337.468 0.386 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3ccns3)C2)cn1 ZINC001022838161 759157969 /nfs/dbraw/zinc/15/79/69/759157969.db2.gz FIKIPIUHKRYALY-OKILXGFUSA-N 1 3 348.476 0.952 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001022838692 759158972 /nfs/dbraw/zinc/15/89/72/759158972.db2.gz WPOBKTGVLAYDGE-KNCOVGOOSA-N 1 3 332.452 0.569 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001022838692 759158978 /nfs/dbraw/zinc/15/89/78/759158978.db2.gz WPOBKTGVLAYDGE-KNCOVGOOSA-N 1 3 332.452 0.569 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCn2cncn2)C1 ZINC001049898471 759376129 /nfs/dbraw/zinc/37/61/29/759376129.db2.gz YTDPRKOLCPZWGE-JYJNAYRXSA-N 1 3 332.452 0.295 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCn2cncn2)C1 ZINC001049898471 759376140 /nfs/dbraw/zinc/37/61/40/759376140.db2.gz YTDPRKOLCPZWGE-JYJNAYRXSA-N 1 3 332.452 0.295 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107038658 759488045 /nfs/dbraw/zinc/48/80/45/759488045.db2.gz CACKKMAGEWZTQM-HUUCEWRRSA-N 1 3 336.484 0.822 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001107039809 759512562 /nfs/dbraw/zinc/51/25/62/759512562.db2.gz ZLBTYRVVZQARAF-HUUCEWRRSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047958922 759749007 /nfs/dbraw/zinc/74/90/07/759749007.db2.gz IVOWAYWPBGWFQI-UKRRQHHQSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@H](NCc1cnns1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048041108 759871636 /nfs/dbraw/zinc/87/16/36/759871636.db2.gz WJPZCJLAKLXDMF-QWHCGFSZSA-N 1 3 335.477 0.961 20 0 ECADHO CN1CCC[C@H]([NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050234948 760015187 /nfs/dbraw/zinc/01/51/87/760015187.db2.gz JJKMUMVLEJOOIP-HOTGVXAUSA-N 1 3 336.480 0.531 20 0 ECADHO Cn1nnnc1CNC[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001050385374 760213048 /nfs/dbraw/zinc/21/30/48/760213048.db2.gz BQCBYYHSUHDNEZ-HDJSIYSDSA-N 1 3 347.467 0.071 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050542658 760461140 /nfs/dbraw/zinc/46/11/40/760461140.db2.gz IUASUQHYBFTGLL-DZGCQCFKSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2)C1CC1 ZINC001050547177 760470915 /nfs/dbraw/zinc/47/09/15/760470915.db2.gz XAZFSSCTRLFKIV-JKSUJKDBSA-N 1 3 348.491 0.530 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050651855 760628904 /nfs/dbraw/zinc/62/89/04/760628904.db2.gz NCMFIWJPUYUQFI-LSDHHAIUSA-N 1 3 338.496 0.761 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050663100 760638630 /nfs/dbraw/zinc/63/86/30/760638630.db2.gz QRLPXIHXFUXPJC-CABCVRRESA-N 1 3 336.480 0.517 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050663100 760638631 /nfs/dbraw/zinc/63/86/31/760638631.db2.gz QRLPXIHXFUXPJC-CABCVRRESA-N 1 3 336.480 0.517 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CN1C(=O)CN(C)C1CCC1 ZINC001012920423 760816779 /nfs/dbraw/zinc/81/67/79/760816779.db2.gz AWQSMXVAKGXGLS-LSDHHAIUSA-N 1 3 348.491 0.672 20 0 ECADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082257 761019234 /nfs/dbraw/zinc/01/92/34/761019234.db2.gz NRQFXJSBCNWMFD-HUUCEWRRSA-N 1 3 326.485 0.822 20 0 ECADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082257 761019244 /nfs/dbraw/zinc/01/92/44/761019244.db2.gz NRQFXJSBCNWMFD-HUUCEWRRSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106249677 768015445 /nfs/dbraw/zinc/01/54/45/768015445.db2.gz MZMNNEMDSOGPRC-UNEWFSDZSA-N 1 3 336.480 0.243 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050948798 761197577 /nfs/dbraw/zinc/19/75/77/761197577.db2.gz BWKLRSBXTMPTEP-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1)N(C)C ZINC001106281756 768064509 /nfs/dbraw/zinc/06/45/09/768064509.db2.gz AYLRQLAKKXQIJT-OAGGEKHMSA-N 1 3 336.484 0.548 20 0 ECADHO C[C@@H](O)CN1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001051307456 761860476 /nfs/dbraw/zinc/86/04/76/761860476.db2.gz ZNGAKYYWZRLWOL-RHSMWYFYSA-N 1 3 331.460 0.993 20 0 ECADHO C[C@@H](O)CN1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001051307456 761860485 /nfs/dbraw/zinc/86/04/85/761860485.db2.gz ZNGAKYYWZRLWOL-RHSMWYFYSA-N 1 3 331.460 0.993 20 0 ECADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCN(CCCO)C2)CC1 ZINC001014460378 762715853 /nfs/dbraw/zinc/71/58/53/762715853.db2.gz KFAVFDKNINZLPP-BBWFWOEESA-N 1 3 339.480 0.306 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)cn1 ZINC001051801938 762999305 /nfs/dbraw/zinc/99/93/05/762999305.db2.gz RDEIWOHUJXHALS-KRWDZBQOSA-N 1 3 347.463 0.444 20 0 ECADHO CC(C)[C@H](C(=O)N1CCO[C@H](CNCc2cccnc2)C1)[NH+](C)C ZINC001051807015 763011822 /nfs/dbraw/zinc/01/18/22/763011822.db2.gz NLJRMCJOAAQNSF-IAGOWNOFSA-N 1 3 334.464 0.985 20 0 ECADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CCO1 ZINC001051825915 763058876 /nfs/dbraw/zinc/05/88/76/763058876.db2.gz XMZIAIILNXECNS-WMLDXEAASA-N 1 3 349.479 0.387 20 0 ECADHO C[C@H](F)CC[NH+]1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031857484 763093861 /nfs/dbraw/zinc/09/38/61/763093861.db2.gz WHJCAAIXZPDFIX-KKVZTGDRSA-N 1 3 325.428 0.646 20 0 ECADHO Cc1ncccc1CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051905110 763291809 /nfs/dbraw/zinc/29/18/09/763291809.db2.gz YHLWCDFAZOZQNA-KRWDZBQOSA-N 1 3 344.459 0.803 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046904990 763353692 /nfs/dbraw/zinc/35/36/92/763353692.db2.gz YGPPIHPTTUJLPR-WMLDXEAASA-N 1 3 333.436 0.401 20 0 ECADHO Cc1cc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)sn1 ZINC001051932439 763374789 /nfs/dbraw/zinc/37/47/89/763374789.db2.gz QKQCPZUJNMEVIM-KGLIPLIRSA-N 1 3 338.477 0.720 20 0 ECADHO Cc1cc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)sn1 ZINC001051932439 763374800 /nfs/dbraw/zinc/37/48/00/763374800.db2.gz QKQCPZUJNMEVIM-KGLIPLIRSA-N 1 3 338.477 0.720 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC001127695597 763563674 /nfs/dbraw/zinc/56/36/74/763563674.db2.gz QUBHCHFSKDBTJB-OWCLPIDISA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCC[C@@H](C)C2)CC[N@H+]1C ZINC001127695597 763563678 /nfs/dbraw/zinc/56/36/78/763563678.db2.gz QUBHCHFSKDBTJB-OWCLPIDISA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NCCC(C)C)CC[N@@H+]1C ZINC001127705873 763665929 /nfs/dbraw/zinc/66/59/29/763665929.db2.gz HWWGJUKCWVDMHC-HRCADAONSA-N 1 3 340.512 0.973 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NCCC(C)C)CC[N@H+]1C ZINC001127705873 763665931 /nfs/dbraw/zinc/66/59/31/763665931.db2.gz HWWGJUKCWVDMHC-HRCADAONSA-N 1 3 340.512 0.973 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)Cc1c[nH]cn1 ZINC001015034070 763713583 /nfs/dbraw/zinc/71/35/83/763713583.db2.gz JECJFWNROOQWLH-CZUORRHYSA-N 1 3 347.463 0.790 20 0 ECADHO CN1CC[C@@H]([NH+]2CCC3(CCN(C(=O)CN4CCCC4)C3)CC2)C1=O ZINC001040938763 763807544 /nfs/dbraw/zinc/80/75/44/763807544.db2.gz IPIRIJMKXPROHA-MRXNPFEDSA-N 1 3 348.491 0.627 20 0 ECADHO O=C(N[C@@H]1CCN(CCN2CCCC2=O)C1)c1ccn2c[nH+]cc2c1 ZINC001015108345 763897902 /nfs/dbraw/zinc/89/79/02/763897902.db2.gz BDESDSYOJBDTFX-OAHLLOKOSA-N 1 3 341.415 0.761 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001077475261 763977174 /nfs/dbraw/zinc/97/71/74/763977174.db2.gz BNFQNPIIVJNCTH-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001060393379 764260766 /nfs/dbraw/zinc/26/07/66/764260766.db2.gz JEAZJKNFCOSIDM-HNNXBMFYSA-N 1 3 349.479 0.957 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001060393379 764260773 /nfs/dbraw/zinc/26/07/73/764260773.db2.gz JEAZJKNFCOSIDM-HNNXBMFYSA-N 1 3 349.479 0.957 20 0 ECADHO C[C@H](F)CCN1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032043778 764273535 /nfs/dbraw/zinc/27/35/35/764273535.db2.gz LMULZFZEHQGWHK-ZDUSSCGKSA-N 1 3 325.432 0.854 20 0 ECADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CCC1 ZINC000991886942 764330887 /nfs/dbraw/zinc/33/08/87/764330887.db2.gz DSIACKUTCBQBOD-OAHLLOKOSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H](F)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047501082 764525689 /nfs/dbraw/zinc/52/56/89/764525689.db2.gz MSJLFNQXVSQCIV-QXKUPLGCSA-N 1 3 329.460 0.968 20 0 ECADHO C[C@H](F)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047501082 764525693 /nfs/dbraw/zinc/52/56/93/764525693.db2.gz MSJLFNQXVSQCIV-QXKUPLGCSA-N 1 3 329.460 0.968 20 0 ECADHO O=C(N[C@]12CCC[C@H]1[N@H+](CCCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC000991927819 764678482 /nfs/dbraw/zinc/67/84/82/764678482.db2.gz BSGJVQJAPBNBBP-DFDVLACJSA-N 1 3 349.475 0.345 20 0 ECADHO O=C(N[C@]12CCC[C@H]1[N@@H+](CCCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC000991927819 764678489 /nfs/dbraw/zinc/67/84/89/764678489.db2.gz BSGJVQJAPBNBBP-DFDVLACJSA-N 1 3 349.475 0.345 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCCN1CCCC1=O ZINC001088984414 764703016 /nfs/dbraw/zinc/70/30/16/764703016.db2.gz ZHTABQDPVVGWBU-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CNCc1cn(C)nn1 ZINC001107030420 764739392 /nfs/dbraw/zinc/73/93/92/764739392.db2.gz DDVOBOIVYYYBDE-HZPDHXFCSA-N 1 3 348.495 0.875 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN([C@H]3CCCNC3=O)CC2)CC1 ZINC001052676661 764980236 /nfs/dbraw/zinc/98/02/36/764980236.db2.gz IRSRINJHTSAWNJ-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1nc(CN[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C)n[nH]1 ZINC001054790907 768278454 /nfs/dbraw/zinc/27/84/54/768278454.db2.gz LYGCTMGYWVXFQH-UKRRQHHQSA-N 1 3 346.479 0.926 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(C[C@H](O)Cn3cccn3)C2)CC1 ZINC001015794442 765332414 /nfs/dbraw/zinc/33/24/14/765332414.db2.gz GTGGPDIYHWKIEW-IRXDYDNUSA-N 1 3 349.479 0.166 20 0 ECADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001053291043 765919137 /nfs/dbraw/zinc/91/91/37/765919137.db2.gz YFZHBDHUHNCHCX-JKSUJKDBSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN1CCC[C@H]1C ZINC001077507307 765959696 /nfs/dbraw/zinc/95/96/96/765959696.db2.gz CZFHRPCQOKVXPQ-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001053350016 766013032 /nfs/dbraw/zinc/01/30/32/766013032.db2.gz JDIXPYQDHDQVIS-OCCSQVGLSA-N 1 3 335.452 0.423 20 0 ECADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCC(=O)N1CCC1 ZINC001054854726 768341276 /nfs/dbraw/zinc/34/12/76/768341276.db2.gz XNDNKZHWDPHGRN-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCn2cncn2)CC[N@@H+]1C ZINC001045781504 766362589 /nfs/dbraw/zinc/36/25/89/766362589.db2.gz PXHIHECXMHWUTQ-WCXIOVBPSA-N 1 3 346.479 0.684 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCn2cncn2)CC[N@H+]1C ZINC001045781504 766362597 /nfs/dbraw/zinc/36/25/97/766362597.db2.gz PXHIHECXMHWUTQ-WCXIOVBPSA-N 1 3 346.479 0.684 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001077516876 766390957 /nfs/dbraw/zinc/39/09/57/766390957.db2.gz YCOAPOPDVAVUSL-GJZGRUSLSA-N 1 3 338.496 0.966 20 0 ECADHO NC(=O)c1ccc(CNCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC001127254172 766509117 /nfs/dbraw/zinc/50/91/17/766509117.db2.gz CLOJOTNYAKYTPZ-IRXDYDNUSA-N 1 3 344.459 0.866 20 0 ECADHO NC(=O)c1ccc(CNCCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC001127254172 766509125 /nfs/dbraw/zinc/50/91/25/766509125.db2.gz CLOJOTNYAKYTPZ-IRXDYDNUSA-N 1 3 344.459 0.866 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@@H]2N(CCn2cncn2)CC3)C1 ZINC000992426552 766540327 /nfs/dbraw/zinc/54/03/27/766540327.db2.gz JWVACBFLPPNYAE-RYRKJORJSA-N 1 3 346.479 0.733 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@@H]2N(CCn2cncn2)CC3)C1 ZINC000992426552 766540335 /nfs/dbraw/zinc/54/03/35/766540335.db2.gz JWVACBFLPPNYAE-RYRKJORJSA-N 1 3 346.479 0.733 20 0 ECADHO C[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035080 766717494 /nfs/dbraw/zinc/71/74/94/766717494.db2.gz DALXAOVOWBQRNW-DOTOQJQBSA-N 1 3 338.496 0.070 20 0 ECADHO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035080 766717500 /nfs/dbraw/zinc/71/75/00/766717500.db2.gz DALXAOVOWBQRNW-DOTOQJQBSA-N 1 3 338.496 0.070 20 0 ECADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257332 766766424 /nfs/dbraw/zinc/76/64/24/766766424.db2.gz XTGWDNJGWHSODF-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257332 766766429 /nfs/dbraw/zinc/76/64/29/766766429.db2.gz XTGWDNJGWHSODF-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO NC(=O)c1cccc(CNCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC001127257478 766780692 /nfs/dbraw/zinc/78/06/92/766780692.db2.gz YRISHMZQYMTTOM-SJORKVTESA-N 1 3 344.459 0.866 20 0 ECADHO NC(=O)c1cccc(CNCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC001127257478 766780695 /nfs/dbraw/zinc/78/06/95/766780695.db2.gz YRISHMZQYMTTOM-SJORKVTESA-N 1 3 344.459 0.866 20 0 ECADHO COC[C@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067462 766858498 /nfs/dbraw/zinc/85/84/98/766858498.db2.gz ZZOGMCFUOVOZEE-HOCLYGCPSA-N 1 3 335.452 0.206 20 0 ECADHO COC[C@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067462 766858508 /nfs/dbraw/zinc/85/85/08/766858508.db2.gz ZZOGMCFUOVOZEE-HOCLYGCPSA-N 1 3 335.452 0.206 20 0 ECADHO CC(C)(C(=O)N[C@@H]1CC12CCN([C@@H]1CCNC1=O)CC2)[NH+]1CCCC1 ZINC001016762186 766863463 /nfs/dbraw/zinc/86/34/63/766863463.db2.gz XGVOAJOWRSUHBJ-HUUCEWRRSA-N 1 3 348.491 0.720 20 0 ECADHO CCN(C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CC1 ZINC001127263140 767004304 /nfs/dbraw/zinc/00/43/04/767004304.db2.gz SHNWMBSZAFWKNO-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO CCN(C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)C1CC1 ZINC001127263140 767004313 /nfs/dbraw/zinc/00/43/13/767004313.db2.gz SHNWMBSZAFWKNO-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1ccncc1CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575980 767054426 /nfs/dbraw/zinc/05/44/26/767054426.db2.gz GCOMXHGXFYJTGR-UHFFFAOYSA-N 1 3 330.436 0.668 20 0 ECADHO NC(=O)CN1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054159510 767755604 /nfs/dbraw/zinc/75/56/04/767755604.db2.gz KBEMMVXSQRPFFF-SFHVURJKSA-N 1 3 341.415 0.748 20 0 ECADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNCc1cn(C)nn1 ZINC001106592376 768474444 /nfs/dbraw/zinc/47/44/44/768474444.db2.gz QNANLCIJVUPJCZ-ZIAGYGMSSA-N 1 3 334.468 0.341 20 0 ECADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(=O)N1CCC1 ZINC001054969710 768485505 /nfs/dbraw/zinc/48/55/05/768485505.db2.gz STVGMQMSNYQJDR-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106662895 768573650 /nfs/dbraw/zinc/57/36/50/768573650.db2.gz IZHIULHFJVPZOG-BZUAXINKSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCc3cnn(C)c3)[C@H](C)C2)C1 ZINC001106666538 768579042 /nfs/dbraw/zinc/57/90/42/768579042.db2.gz NULSUSSIODMDCO-JFIYKMOQSA-N 1 3 347.507 0.989 20 0 ECADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668432 768583267 /nfs/dbraw/zinc/58/32/67/768583267.db2.gz KHHANBKYUIHQBK-HUUCEWRRSA-N 1 3 338.496 0.539 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC000993804360 769645753 /nfs/dbraw/zinc/64/57/53/769645753.db2.gz DFNYTNPSAUJORK-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC000993804360 769645758 /nfs/dbraw/zinc/64/57/58/769645758.db2.gz DFNYTNPSAUJORK-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000993830627 769700036 /nfs/dbraw/zinc/70/00/36/769700036.db2.gz KMEMGBNOURKLBR-HUUCEWRRSA-N 1 3 348.491 0.815 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000993933385 769852786 /nfs/dbraw/zinc/85/27/86/769852786.db2.gz TUUICXFATSCSAF-GOEBONIOSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000993933385 769852800 /nfs/dbraw/zinc/85/28/00/769852800.db2.gz TUUICXFATSCSAF-GOEBONIOSA-N 1 3 336.480 0.386 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001018966413 770421171 /nfs/dbraw/zinc/42/11/71/770421171.db2.gz HZUNGGRZDSSDDS-GOEBONIOSA-N 1 3 334.468 0.637 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC001018971733 770433222 /nfs/dbraw/zinc/43/32/22/770433222.db2.gz QCBHCWLYPOUZJQ-HNNXBMFYSA-N 1 3 334.468 0.570 20 0 ECADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001018989981 770498360 /nfs/dbraw/zinc/49/83/60/770498360.db2.gz BCEAFWNJTVQNGN-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001018989981 770498366 /nfs/dbraw/zinc/49/83/66/770498366.db2.gz BCEAFWNJTVQNGN-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2)C1CC1 ZINC001019107870 770801310 /nfs/dbraw/zinc/80/13/10/770801310.db2.gz AEZLSYAENCOJQN-CVEARBPZSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2)C1CC1 ZINC001019107870 770801322 /nfs/dbraw/zinc/80/13/22/770801322.db2.gz AEZLSYAENCOJQN-CVEARBPZSA-N 1 3 348.491 0.339 20 0 ECADHO 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C[C@H]1[C@@H](NCc2n[nH]c(C3CC3)n2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075106770 788914673 /nfs/dbraw/zinc/91/46/73/788914673.db2.gz LYSQKEQQSPPHBC-YUTCNCBUSA-N 1 3 332.452 0.713 20 0 ECADHO C[C@H]1[C@@H](NCc2n[nH]c(C3CC3)n2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075106770 788914682 /nfs/dbraw/zinc/91/46/82/788914682.db2.gz LYSQKEQQSPPHBC-YUTCNCBUSA-N 1 3 332.452 0.713 20 0 ECADHO CC(C)c1nc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075107173 788915573 /nfs/dbraw/zinc/91/55/73/788915573.db2.gz VDCIPAXQVMOMJV-MJBXVCDLSA-N 1 3 334.468 0.959 20 0 ECADHO CC(C)c1nc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075107173 788915583 /nfs/dbraw/zinc/91/55/83/788915583.db2.gz VDCIPAXQVMOMJV-MJBXVCDLSA-N 1 3 334.468 0.959 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001072981214 789206545 /nfs/dbraw/zinc/20/65/45/789206545.db2.gz AVJHUNGFNIPIID-HZPDHXFCSA-N 1 3 331.464 0.615 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001072981214 789206553 /nfs/dbraw/zinc/20/65/53/789206553.db2.gz AVJHUNGFNIPIID-HZPDHXFCSA-N 1 3 331.464 0.615 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001072983389 789217978 /nfs/dbraw/zinc/21/79/78/789217978.db2.gz UZAMZEJMSGAXLA-QGZVFWFLSA-N 1 3 327.444 0.726 20 0 ECADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001072983389 789217990 /nfs/dbraw/zinc/21/79/90/789217990.db2.gz UZAMZEJMSGAXLA-QGZVFWFLSA-N 1 3 327.444 0.726 20 0 ECADHO CCC1(NC(=O)CC[NH+](C)C)CCN(C(=O)CN2CCCC2)CC1 ZINC001069387538 789794385 /nfs/dbraw/zinc/79/43/85/789794385.db2.gz UECZOBIKTNWFBK-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO O=C(CC[NH+]1CCCCC1)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001073457287 789864674 /nfs/dbraw/zinc/86/46/74/789864674.db2.gz KDXZZJKRDJHNIA-UHFFFAOYSA-N 1 3 346.479 0.688 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001266732063 836212043 /nfs/dbraw/zinc/21/20/43/836212043.db2.gz APSNZLMFWVKSER-SDSIWUNFSA-N 1 3 336.480 0.622 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@H+](CCOCCO)C2)C1 ZINC001266760807 836261455 /nfs/dbraw/zinc/26/14/55/836261455.db2.gz NAYWTJVQLFILGN-HZPDHXFCSA-N 1 3 327.469 0.165 20 0 ECADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](CCOCCO)C2)C1 ZINC001266760807 836261465 /nfs/dbraw/zinc/26/14/65/836261465.db2.gz NAYWTJVQLFILGN-HZPDHXFCSA-N 1 3 327.469 0.165 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001266817402 836342289 /nfs/dbraw/zinc/34/22/89/836342289.db2.gz QGZJLBXEKJLFOO-UONOGXRCSA-N 1 3 333.498 0.199 20 0 ECADHO CCCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267002423 836597022 /nfs/dbraw/zinc/59/70/22/836597022.db2.gz LLIAZBDUWSIKSL-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001267005155 836604152 /nfs/dbraw/zinc/60/41/52/836604152.db2.gz VBBKIJVILOCMKP-ZIAGYGMSSA-N 1 3 333.498 0.055 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001408595213 837139762 /nfs/dbraw/zinc/13/97/62/837139762.db2.gz QXLMTRMPNLXXHT-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001408595213 837139766 /nfs/dbraw/zinc/13/97/66/837139766.db2.gz QXLMTRMPNLXXHT-OAGGEKHMSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001408595438 837149844 /nfs/dbraw/zinc/14/98/44/837149844.db2.gz XYTALHCEZYFOKD-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001408595438 837149846 /nfs/dbraw/zinc/14/98/46/837149846.db2.gz XYTALHCEZYFOKD-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](C(=O)NCCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001408771413 838384168 /nfs/dbraw/zinc/38/41/68/838384168.db2.gz KJQRPRJDQLRVOK-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000418882490 282116334 /nfs/dbraw/zinc/11/63/34/282116334.db2.gz YZTAEVHGWLAWIY-MRXNPFEDSA-N 1 3 332.448 0.225 20 0 ECADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522632 214378715 /nfs/dbraw/zinc/37/87/15/214378715.db2.gz PNOIPFBJLRPHMX-AWEZNQCLSA-N 1 3 338.496 0.763 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC000354694535 299098606 /nfs/dbraw/zinc/09/86/06/299098606.db2.gz ZPKLAIFBPJUOJV-UHFFFAOYSA-N 1 3 338.496 0.966 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000354713954 299104918 /nfs/dbraw/zinc/10/49/18/299104918.db2.gz NVIDKDRMIDNNLU-IRXDYDNUSA-N 1 3 344.459 0.635 20 0 ECADHO CCCN(C(=O)C(=O)N(C)CC1(N(C)C)CCC1)C1CC[NH2+]CC1 ZINC000423693077 209804368 /nfs/dbraw/zinc/80/43/68/209804368.db2.gz DCFPTZIWHKMEAQ-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CCCC4)CC3)C[C@@H]21 ZINC000459927614 283079608 /nfs/dbraw/zinc/07/96/08/283079608.db2.gz AFMSKAXQOFUUTO-ZBFHGGJFSA-N 1 3 334.464 0.236 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000355272159 299228674 /nfs/dbraw/zinc/22/86/74/299228674.db2.gz BDFUDJIYNXKXOJ-LSDHHAIUSA-N 1 3 342.484 0.012 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000355272157 299228694 /nfs/dbraw/zinc/22/86/94/299228694.db2.gz BDFUDJIYNXKXOJ-GJZGRUSLSA-N 1 3 342.484 0.012 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420431622 209365217 /nfs/dbraw/zinc/36/52/17/209365217.db2.gz GBPSFEUXHGWLBV-SMDDNHRTSA-N 1 3 343.497 0.480 20 0 ECADHO C[C@@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000420402144 209361414 /nfs/dbraw/zinc/36/14/14/209361414.db2.gz JRUNWOWFEMYRFY-CVEARBPZSA-N 1 3 346.479 0.432 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCNC[C@H]1c1cccnc1 ZINC000420305613 209350793 /nfs/dbraw/zinc/35/07/93/209350793.db2.gz GSXVDBOTWGVNFW-FHWLQOOXSA-N 1 3 326.444 0.959 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000420130827 209315506 /nfs/dbraw/zinc/31/55/06/209315506.db2.gz WNXSKZBNBOIZMX-SOUVJXGZSA-N 1 3 326.485 0.999 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420117669 209311278 /nfs/dbraw/zinc/31/12/78/209311278.db2.gz HYFHHCPCNBTEEA-JKSUJKDBSA-N 1 3 340.512 0.927 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420038012 209286057 /nfs/dbraw/zinc/28/60/57/209286057.db2.gz MPFUDKSDYKFVOW-MGPQQGTHSA-N 1 3 340.468 0.064 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420038012 209286058 /nfs/dbraw/zinc/28/60/58/209286058.db2.gz MPFUDKSDYKFVOW-MGPQQGTHSA-N 1 3 340.468 0.064 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000420010778 209275995 /nfs/dbraw/zinc/27/59/95/209275995.db2.gz YASAXSWJCDROKV-OAHLLOKOSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000419991371 209270364 /nfs/dbraw/zinc/27/03/64/209270364.db2.gz BECABKJQYHSFAP-GFCCVEGCSA-N 1 3 340.855 0.694 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CCCCC1)C(C)C ZINC000419976689 209267017 /nfs/dbraw/zinc/26/70/17/209267017.db2.gz LJXLHBJPEWJHKC-HNNXBMFYSA-N 1 3 326.485 0.857 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CCCCC1)C(C)C ZINC000419976689 209267019 /nfs/dbraw/zinc/26/70/19/209267019.db2.gz LJXLHBJPEWJHKC-HNNXBMFYSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000419967668 209264507 /nfs/dbraw/zinc/26/45/07/209264507.db2.gz BPXONBKFWMQQFM-GJZGRUSLSA-N 1 3 326.485 0.714 20 0 ECADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419942072 209255288 /nfs/dbraw/zinc/25/52/88/209255288.db2.gz YXYZBUNUEMCWMB-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419939513 209254620 /nfs/dbraw/zinc/25/46/20/209254620.db2.gz YIAOOSDBMASUBQ-GDBMZVCRSA-N 1 3 332.448 0.651 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419939513 209254621 /nfs/dbraw/zinc/25/46/21/209254621.db2.gz YIAOOSDBMASUBQ-GDBMZVCRSA-N 1 3 332.448 0.651 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419902160 209244890 /nfs/dbraw/zinc/24/48/90/209244890.db2.gz UXVFVABSEWAQEV-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000419892381 209241525 /nfs/dbraw/zinc/24/15/25/209241525.db2.gz NYUHGHGSNBBWKE-FZKCQIBNSA-N 1 3 338.496 0.870 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419892214 209241411 /nfs/dbraw/zinc/24/14/11/209241411.db2.gz KLQBNLMYVASVAY-CYBMUJFWSA-N 1 3 338.477 0.507 20 0 ECADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419868297 209231723 /nfs/dbraw/zinc/23/17/23/209231723.db2.gz CHHRCNMSDUIBQI-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO [NH3+]CCNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000419824455 209215262 /nfs/dbraw/zinc/21/52/62/209215262.db2.gz ZMJHIMNBNXKLIB-UHFFFAOYSA-N 1 3 332.448 0.228 20 0 ECADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCCC[NH3+])C1CC1 ZINC000419772283 209201199 /nfs/dbraw/zinc/20/11/99/209201199.db2.gz YVNNHTHUTOULKN-INIZCTEOSA-N 1 3 332.448 0.478 20 0 ECADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000419729063 209190544 /nfs/dbraw/zinc/19/05/44/209190544.db2.gz ZPXUDABRUABBJQ-INIZCTEOSA-N 1 3 344.459 0.717 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCC(C)CC1 ZINC000356468942 299392774 /nfs/dbraw/zinc/39/27/74/299392774.db2.gz ZSGWJOBHOWARRS-XHSDSOJGSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCC(C)CC1 ZINC000356468942 299392775 /nfs/dbraw/zinc/39/27/75/299392775.db2.gz ZSGWJOBHOWARRS-XHSDSOJGSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000419640620 209153253 /nfs/dbraw/zinc/15/32/53/209153253.db2.gz DGROEOPEUDCSQC-DZGCQCFKSA-N 1 3 332.448 0.710 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419595089 209134186 /nfs/dbraw/zinc/13/41/86/209134186.db2.gz VTTPJBGLUCDBPR-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419581675 209132154 /nfs/dbraw/zinc/13/21/54/209132154.db2.gz JQIRFSGZJGMBFG-ZENOOKHLSA-N 1 3 342.509 0.268 20 0 ECADHO CCN(CCNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)C1CC1 ZINC000419522432 209116045 /nfs/dbraw/zinc/11/60/45/209116045.db2.gz MIFMAXXECCJXQQ-UHFFFAOYSA-N 1 3 332.448 0.574 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000418920238 284703112 /nfs/dbraw/zinc/70/31/12/284703112.db2.gz BIUFVBVHMAASGT-AVGNSLFASA-N 1 3 328.457 0.062 20 0 ECADHO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@H](N2CCCC2)C1 ZINC000424136046 296280091 /nfs/dbraw/zinc/28/00/91/296280091.db2.gz QDCZFFBFYFINTJ-GJZGRUSLSA-N 1 3 332.452 0.903 20 0 ECADHO CC(CC(=O)NC[C@@H]1CCCN1C)CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000444268677 211064116 /nfs/dbraw/zinc/06/41/16/211064116.db2.gz OGLHJYUYOZKNCH-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CC(CC(=O)NC[C@@H]1CCCN1C)CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000444268677 211064121 /nfs/dbraw/zinc/06/41/21/211064121.db2.gz OGLHJYUYOZKNCH-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CC[C@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@H]2CC[N@H+](CC)C2)C1 ZINC000412879741 208264367 /nfs/dbraw/zinc/26/43/67/208264367.db2.gz PJUMRMBONDFXRN-CAOSSQGBSA-N 1 3 336.480 0.289 20 0 ECADHO CCN1CC[C@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@H]2CC[N@@H+](CC)C2)C1 ZINC000412879741 208264373 /nfs/dbraw/zinc/26/43/73/208264373.db2.gz PJUMRMBONDFXRN-CAOSSQGBSA-N 1 3 336.480 0.289 20 0 ECADHO NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@@H](C[NH3+])C2)c1 ZINC000430603249 210387187 /nfs/dbraw/zinc/38/71/87/210387187.db2.gz JLSGGAATTKXERV-LBPRGKRZSA-N 1 3 340.449 0.333 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420458395 209371429 /nfs/dbraw/zinc/37/14/29/209371429.db2.gz PPWGZVGANMSDRC-KBPBESRZSA-N 1 3 343.497 0.467 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419157246 209005998 /nfs/dbraw/zinc/00/59/98/209005998.db2.gz WEUNUJWYIPYRPV-HNNXBMFYSA-N 1 3 348.447 0.111 20 0 ECADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419432174 209094299 /nfs/dbraw/zinc/09/42/99/209094299.db2.gz XWHMUYVDAQSIAW-SJORKVTESA-N 1 3 344.459 0.889 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419163231 209008045 /nfs/dbraw/zinc/00/80/45/209008045.db2.gz VZLXTVOFOZVERZ-INIZCTEOSA-N 1 3 332.448 0.651 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419174354 209011473 /nfs/dbraw/zinc/01/14/73/209011473.db2.gz VIYRRONVILRKOB-OAGGEKHMSA-N 1 3 338.496 0.727 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000419204688 209023269 /nfs/dbraw/zinc/02/32/69/209023269.db2.gz IXMFAVWHWAJFSE-MRXNPFEDSA-N 1 3 348.447 0.097 20 0 ECADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NCCN)cc2)C1 ZINC000419204200 209024038 /nfs/dbraw/zinc/02/40/38/209024038.db2.gz IMACKOUYLYSDNY-CQSZACIVSA-N 1 3 332.448 0.610 20 0 ECADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NCCN)cc2)C1 ZINC000419204200 209024040 /nfs/dbraw/zinc/02/40/40/209024040.db2.gz IMACKOUYLYSDNY-CQSZACIVSA-N 1 3 332.448 0.610 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419422228 209090590 /nfs/dbraw/zinc/09/05/90/209090590.db2.gz MHIFMPARRABDEM-UHFFFAOYSA-N 1 3 332.448 0.277 20 0 ECADHO CN(C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)C1CC[NH2+]CC1 ZINC000419232287 209034836 /nfs/dbraw/zinc/03/48/36/209034836.db2.gz UHAJERHBUNQHAO-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419232574 209034975 /nfs/dbraw/zinc/03/49/75/209034975.db2.gz UWZOBXVXXMVJQE-MRXNPFEDSA-N 1 3 336.480 0.564 20 0 ECADHO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419232807 209035853 /nfs/dbraw/zinc/03/58/53/209035853.db2.gz VFPRLWCPFZVRPW-INIZCTEOSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419424439 209090367 /nfs/dbraw/zinc/09/03/67/209090367.db2.gz OCROZKIXWXUFMA-AWEZNQCLSA-N 1 3 332.448 0.357 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419311216 209056545 /nfs/dbraw/zinc/05/65/45/209056545.db2.gz BKIQQFWHSFHEKI-UHOFOFEASA-N 1 3 336.480 0.609 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419332219 209061991 /nfs/dbraw/zinc/06/19/91/209061991.db2.gz KHXRPFMZQOSNGC-YVEFUNNKSA-N 1 3 342.443 0.505 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000419336752 209062640 /nfs/dbraw/zinc/06/26/40/209062640.db2.gz ANLJKEZWQWZFQB-IAGOWNOFSA-N 1 3 346.475 0.615 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000419415074 209087573 /nfs/dbraw/zinc/08/75/73/209087573.db2.gz UPGQYLIWPFTMPO-UHFFFAOYSA-N 1 3 336.480 0.437 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419365077 209070134 /nfs/dbraw/zinc/07/01/34/209070134.db2.gz FMROITRPRLARMJ-MRXNPFEDSA-N 1 3 344.459 0.022 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)Cc2ccccc2C1 ZINC000419369731 209070916 /nfs/dbraw/zinc/07/09/16/209070916.db2.gz FYPYPDBNEFFVJD-MRXNPFEDSA-N 1 3 344.459 0.055 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358329565 299710103 /nfs/dbraw/zinc/71/01/03/299710103.db2.gz WDYBDSYMAOKPFJ-UHFFFAOYSA-N 1 3 338.496 0.918 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262245316 165316516 /nfs/dbraw/zinc/31/65/16/165316516.db2.gz LEGRYRJMLKAZSZ-VYDXJSESSA-N 1 3 335.423 0.734 20 0 ECADHO CC(C)N1CCC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000262375982 165340237 /nfs/dbraw/zinc/34/02/37/165340237.db2.gz MIMOTLQUOLQJST-AWEZNQCLSA-N 1 3 345.509 0.390 20 0 ECADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000262520605 165358704 /nfs/dbraw/zinc/35/87/04/165358704.db2.gz NTZGVXKOQPINDR-WTTBNOFXSA-N 1 3 339.480 0.447 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)CC1=O ZINC000262598817 165366390 /nfs/dbraw/zinc/36/63/90/165366390.db2.gz WMVKWLQFSKMPBJ-HRCADAONSA-N 1 3 336.480 0.435 20 0 ECADHO CCN1CCN(CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262712858 165376811 /nfs/dbraw/zinc/37/68/11/165376811.db2.gz FWUGEZGZZMUOHS-INIZCTEOSA-N 1 3 348.495 0.565 20 0 ECADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423498988 287264455 /nfs/dbraw/zinc/26/44/55/287264455.db2.gz IWKSFEDLVGISIS-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423498988 287264453 /nfs/dbraw/zinc/26/44/53/287264453.db2.gz IWKSFEDLVGISIS-OAHLLOKOSA-N 1 3 338.496 0.907 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000331394444 296926139 /nfs/dbraw/zinc/92/61/39/296926139.db2.gz KCCVMHGCNNDEPC-PMPSAXMXSA-N 1 3 336.480 0.291 20 0 ECADHO CN(C)[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)Cc1ccccc1 ZINC000120334560 221551102 /nfs/dbraw/zinc/55/11/02/221551102.db2.gz KQDVKLXBAKYVDQ-WMZOPIPTSA-N 1 3 336.480 0.771 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000174111852 263149245 /nfs/dbraw/zinc/14/92/45/263149245.db2.gz AQKGPWOJGXFHHQ-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000174629478 263150916 /nfs/dbraw/zinc/15/09/16/263150916.db2.gz URBKPEMOMYAMQZ-HZPDHXFCSA-N 1 3 327.517 0.899 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000174629478 263150917 /nfs/dbraw/zinc/15/09/17/263150917.db2.gz URBKPEMOMYAMQZ-HZPDHXFCSA-N 1 3 327.517 0.899 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[NH2+]C[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000237501552 263173971 /nfs/dbraw/zinc/17/39/71/263173971.db2.gz QJZWLLSRQCMYDI-OAGGEKHMSA-N 1 3 327.469 0.761 20 0 ECADHO C[NH2+]CCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262421188 263177082 /nfs/dbraw/zinc/17/70/82/263177082.db2.gz RTNGJOSJUVSEST-UHFFFAOYSA-N 1 3 332.448 0.738 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C/CN(C)C)[C@@H](C)CN1C(=O)/C=C/C[NH+](C)C ZINC000269709506 263198335 /nfs/dbraw/zinc/19/83/35/263198335.db2.gz NHOLIRYDJNQVQQ-AANMNFATSA-N 1 3 336.480 0.670 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)[C@@H](C)CN1C(=O)/C=C/CN(C)C ZINC000269709506 263198336 /nfs/dbraw/zinc/19/83/36/263198336.db2.gz NHOLIRYDJNQVQQ-AANMNFATSA-N 1 3 336.480 0.670 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283877327 264162374 /nfs/dbraw/zinc/16/23/74/264162374.db2.gz CATOGJCABDSNJO-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO CNC(=O)[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000245686502 277241685 /nfs/dbraw/zinc/24/16/85/277241685.db2.gz NBYCHSOIFKFCBR-XHSDSOJGSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000245686502 277241688 /nfs/dbraw/zinc/24/16/88/277241688.db2.gz NBYCHSOIFKFCBR-XHSDSOJGSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCC[N@@H+](CC[C@H](C)N2CCC[C@H](C(=O)NC)C2)C1 ZINC000245686502 277241689 /nfs/dbraw/zinc/24/16/89/277241689.db2.gz NBYCHSOIFKFCBR-XHSDSOJGSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@@H]1CCC[N@H+](CC[C@H](C)N2CCC[C@H](C(=O)NC)C2)C1 ZINC000245686502 277241691 /nfs/dbraw/zinc/24/16/91/277241691.db2.gz NBYCHSOIFKFCBR-XHSDSOJGSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419703911 277392625 /nfs/dbraw/zinc/39/26/25/277392625.db2.gz XFBFCGOSSACBGR-OWCLPIDISA-N 1 3 336.480 0.291 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C2CC[NH2+]CC2)CC1=O ZINC000262474800 279304971 /nfs/dbraw/zinc/30/49/71/279304971.db2.gz MOBWPBGKUWCMKT-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N(C)Cc1ccccc1 ZINC000418944754 279325063 /nfs/dbraw/zinc/32/50/63/279325063.db2.gz KICNEKXTLZIBCY-INMHGKMJSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)C[C@@H](C)O1 ZINC000262311730 288152113 /nfs/dbraw/zinc/15/21/13/288152113.db2.gz BMTRKUYUAFCNBR-XOUADPBQSA-N 1 3 325.453 0.057 20 0 ECADHO CN(C)C[C@@](C)(O)CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418755116 289204775 /nfs/dbraw/zinc/20/47/75/289204775.db2.gz BMRWKKOFQVWBAU-HRWDSRQLSA-N 1 3 338.496 0.752 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)C[C@@H]21 ZINC000410777204 290160733 /nfs/dbraw/zinc/16/07/33/290160733.db2.gz BIEZWNYGIQVRPG-JJXSEGSLSA-N 1 3 334.464 0.092 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C[C@@H]21 ZINC000410777204 290160735 /nfs/dbraw/zinc/16/07/35/290160735.db2.gz BIEZWNYGIQVRPG-JJXSEGSLSA-N 1 3 334.464 0.092 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000340296048 437618580 /nfs/dbraw/zinc/61/85/80/437618580.db2.gz SNLJGBMJPJNJPQ-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000332535164 297050173 /nfs/dbraw/zinc/05/01/73/297050173.db2.gz ABPCBUZBVXONFZ-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000332560197 297052582 /nfs/dbraw/zinc/05/25/82/297052582.db2.gz QAERCKTXCMSQJM-FPCVCCKLSA-N 1 3 336.480 0.705 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1 ZINC000332616388 297058887 /nfs/dbraw/zinc/05/88/87/297058887.db2.gz SJPXETVVOYSCGJ-GOEBONIOSA-N 1 3 336.480 0.671 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)CC1 ZINC000332619254 297059220 /nfs/dbraw/zinc/05/92/20/297059220.db2.gz NKEIJLASKQXHAH-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO COC(=O)[C@@](C)(O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000330812447 437621251 /nfs/dbraw/zinc/62/12/51/437621251.db2.gz CBMKVGAVSHKZGH-KRWDZBQOSA-N 1 3 327.469 0.260 20 0 ECADHO [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)C(F)(F)F ZINC000416044135 295238867 /nfs/dbraw/zinc/23/88/67/295238867.db2.gz LTZYUPJQYHHANZ-QWRGUYRKSA-N 1 3 326.363 0.412 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420073046 295249296 /nfs/dbraw/zinc/24/92/96/295249296.db2.gz XWPMAMLUIITFGO-ARFHVFGLSA-N 1 3 336.480 0.707 20 0 ECADHO O[C@H](CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333333335 297125704 /nfs/dbraw/zinc/12/57/04/297125704.db2.gz CZYVVMDXJHALBD-BVODSUOWSA-N 1 3 338.492 0.533 20 0 ECADHO O[C@H](CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333333335 297125707 /nfs/dbraw/zinc/12/57/07/297125707.db2.gz CZYVVMDXJHALBD-BVODSUOWSA-N 1 3 338.492 0.533 20 0 ECADHO O[C@@H](CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000333333335 297125710 /nfs/dbraw/zinc/12/57/10/297125710.db2.gz CZYVVMDXJHALBD-BVODSUOWSA-N 1 3 338.492 0.533 20 0 ECADHO O[C@@H](CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000333333335 297125713 /nfs/dbraw/zinc/12/57/13/297125713.db2.gz CZYVVMDXJHALBD-BVODSUOWSA-N 1 3 338.492 0.533 20 0 ECADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000333598831 297144125 /nfs/dbraw/zinc/14/41/25/297144125.db2.gz QCDQZBFGNCZZOJ-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1C[C@@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC000337568229 297196573 /nfs/dbraw/zinc/19/65/73/297196573.db2.gz BCPTVYYHOLUXGI-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CCN1C[C@@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC000337568229 297196575 /nfs/dbraw/zinc/19/65/75/297196575.db2.gz BCPTVYYHOLUXGI-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO C[N@H+](CCCNC(=O)C(=O)N1CCCNCC1)Cc1ccccc1 ZINC000337769046 297214763 /nfs/dbraw/zinc/21/47/63/297214763.db2.gz CRKYEVBHGZGUFR-UHFFFAOYSA-N 1 3 332.448 0.447 20 0 ECADHO C[N@@H+](CCCNC(=O)C(=O)N1CCCNCC1)Cc1ccccc1 ZINC000337769046 297214765 /nfs/dbraw/zinc/21/47/65/297214765.db2.gz CRKYEVBHGZGUFR-UHFFFAOYSA-N 1 3 332.448 0.447 20 0 ECADHO CC(=O)NCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000338285299 297254414 /nfs/dbraw/zinc/25/44/14/297254414.db2.gz ZAOFGDPJMFJCBQ-UHFFFAOYSA-N 1 3 339.484 0.370 20 0 ECADHO CC[N@H+](C)CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000338528635 297275943 /nfs/dbraw/zinc/27/59/43/297275943.db2.gz BGDYNRLVJDVDKO-AWEZNQCLSA-N 1 3 327.473 0.180 20 0 ECADHO CC[N@@H+](C)CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000338528635 297275944 /nfs/dbraw/zinc/27/59/44/297275944.db2.gz BGDYNRLVJDVDKO-AWEZNQCLSA-N 1 3 327.473 0.180 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000339755256 297379435 /nfs/dbraw/zinc/37/94/35/297379435.db2.gz WMWHPIRLASOOTA-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000339967305 297413239 /nfs/dbraw/zinc/41/32/39/297413239.db2.gz XJAJVKYBZFWQRK-KRWDZBQOSA-N 1 3 348.491 0.816 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000344487687 298027811 /nfs/dbraw/zinc/02/78/11/298027811.db2.gz WBISJYFCOXDSII-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345803156 298194775 /nfs/dbraw/zinc/19/47/75/298194775.db2.gz NEGOEZUNRPYJNP-ZDUSSCGKSA-N 1 3 342.390 0.577 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000346112388 298229084 /nfs/dbraw/zinc/22/90/84/298229084.db2.gz PXNLCYUCSRVGET-IATRGZMQSA-N 1 3 334.464 0.327 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000346112388 298229088 /nfs/dbraw/zinc/22/90/88/298229088.db2.gz PXNLCYUCSRVGET-IATRGZMQSA-N 1 3 334.464 0.327 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1C ZINC000346340434 298261751 /nfs/dbraw/zinc/26/17/51/298261751.db2.gz QMIQFALXFWKLQW-OAGGEKHMSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1C ZINC000346340434 298261752 /nfs/dbraw/zinc/26/17/52/298261752.db2.gz QMIQFALXFWKLQW-OAGGEKHMSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000346550506 298292146 /nfs/dbraw/zinc/29/21/46/298292146.db2.gz WAXFWUYSNIMZSA-HYVNUMGLSA-N 1 3 348.491 0.672 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000353276467 299030873 /nfs/dbraw/zinc/03/08/73/299030873.db2.gz MMGGVLSEXBPBHG-HNNXBMFYSA-N 1 3 342.484 0.242 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000360892434 300038213 /nfs/dbraw/zinc/03/82/13/300038213.db2.gz KWRCHAWQEPEGGG-UHFFFAOYSA-N 1 3 336.436 0.633 20 0 ECADHO COC(=O)CCCN1CCC([NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000361464706 300098540 /nfs/dbraw/zinc/09/85/40/300098540.db2.gz SFMOYFJXAFMBEX-INIZCTEOSA-N 1 3 327.469 0.450 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000362694428 300210782 /nfs/dbraw/zinc/21/07/82/300210782.db2.gz OOSSYFSYXUYOIY-FUHWJXTLSA-N 1 3 345.491 0.908 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000362694428 300210785 /nfs/dbraw/zinc/21/07/85/300210785.db2.gz OOSSYFSYXUYOIY-FUHWJXTLSA-N 1 3 345.491 0.908 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)/C=C/C[NH+](C)C ZINC000363238777 300255595 /nfs/dbraw/zinc/25/55/95/300255595.db2.gz JNEVQHFEWSPLKX-SOFGYWHQSA-N 1 3 348.495 0.604 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000364467899 300360347 /nfs/dbraw/zinc/36/03/47/300360347.db2.gz OQXNLHIPPHQDMD-INIZCTEOSA-N 1 3 338.496 0.779 20 0 ECADHO CS(=O)(=O)C1(C(=O)NCC[NH2+]C2CCCCCC2)CCNCC1 ZINC000367647622 300624256 /nfs/dbraw/zinc/62/42/56/300624256.db2.gz BXWKZSZXLHRVON-UHFFFAOYSA-N 1 3 345.509 0.582 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NC2CC([NH+]3CCCCC3)C2)CC1=O ZINC000368452194 300666071 /nfs/dbraw/zinc/66/60/71/300666071.db2.gz ZTLWNYZIQMQELH-QQFBHYJXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000074655444 436131888 /nfs/dbraw/zinc/13/18/88/436131888.db2.gz WRYQQWVDUNZIES-IAGOWNOFSA-N 1 3 339.528 0.853 20 0 ECADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000074655444 436131894 /nfs/dbraw/zinc/13/18/94/436131894.db2.gz WRYQQWVDUNZIES-IAGOWNOFSA-N 1 3 339.528 0.853 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1noc(C)n1 ZINC000074610891 436133675 /nfs/dbraw/zinc/13/36/75/436133675.db2.gz OFGLZHFHLUQZDA-AWEZNQCLSA-N 1 3 338.456 0.936 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1noc(C)n1 ZINC000074610891 436133680 /nfs/dbraw/zinc/13/36/80/436133680.db2.gz OFGLZHFHLUQZDA-AWEZNQCLSA-N 1 3 338.456 0.936 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000074160780 436110442 /nfs/dbraw/zinc/11/04/42/436110442.db2.gz GEMZAGSMHUEPSB-CVEARBPZSA-N 1 3 325.501 0.511 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000074160780 436110449 /nfs/dbraw/zinc/11/04/49/436110449.db2.gz GEMZAGSMHUEPSB-CVEARBPZSA-N 1 3 325.501 0.511 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1=O ZINC000074249889 436116178 /nfs/dbraw/zinc/11/61/78/436116178.db2.gz ALKVELCWMHXOKY-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[N@@H+]1CC[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@H]2CCC[C@H]21 ZINC000375889346 301219003 /nfs/dbraw/zinc/21/90/03/301219003.db2.gz ONTGFZMTPNQKGL-IXDOHACOSA-N 1 3 344.459 0.864 20 0 ECADHO C[N@H+]1CC[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@H]2CCC[C@H]21 ZINC000375889346 301219007 /nfs/dbraw/zinc/21/90/07/301219007.db2.gz ONTGFZMTPNQKGL-IXDOHACOSA-N 1 3 344.459 0.864 20 0 ECADHO CN1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)[C@H]2CCC[C@H]21 ZINC000375889346 301219009 /nfs/dbraw/zinc/21/90/09/301219009.db2.gz ONTGFZMTPNQKGL-IXDOHACOSA-N 1 3 344.459 0.864 20 0 ECADHO CN(C)CCCN(CCC[NH+](C)C)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000377036256 301315386 /nfs/dbraw/zinc/31/53/86/301315386.db2.gz XZIXTADGYFGUTM-JKSUJKDBSA-N 1 3 346.541 0.226 20 0 ECADHO CN1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000076586647 436210635 /nfs/dbraw/zinc/21/06/35/436210635.db2.gz HBGGHNDUNDCNLK-UHFFFAOYSA-N 1 3 332.448 0.940 20 0 ECADHO C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000077797931 436252854 /nfs/dbraw/zinc/25/28/54/436252854.db2.gz VSDGOYSYYBJKBP-HNNXBMFYSA-N 1 3 326.485 0.863 20 0 ECADHO CCOC(=O)N1CCC(C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000493072418 301519728 /nfs/dbraw/zinc/51/97/28/301519728.db2.gz GBWGEMIFUMRDGU-UHFFFAOYSA-N 1 3 342.484 0.807 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000079491308 436299596 /nfs/dbraw/zinc/29/95/96/436299596.db2.gz CQPIHCUNBRUWLU-UHFFFAOYSA-N 1 3 335.452 0.882 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000079491308 436299601 /nfs/dbraw/zinc/29/96/01/436299601.db2.gz CQPIHCUNBRUWLU-UHFFFAOYSA-N 1 3 335.452 0.882 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000497245817 301580414 /nfs/dbraw/zinc/58/04/14/301580414.db2.gz NLTUQCNXAVOJJL-CYBMUJFWSA-N 1 3 326.441 0.346 20 0 ECADHO CCN1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000080445744 436320536 /nfs/dbraw/zinc/32/05/36/436320536.db2.gz JHCUJDMUJOHYRR-MRXNPFEDSA-N 1 3 325.501 0.607 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1=O ZINC000530814042 302029598 /nfs/dbraw/zinc/02/95/98/302029598.db2.gz JJKGSLDQOYTBMH-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1=O ZINC000530814042 302029601 /nfs/dbraw/zinc/02/96/01/302029601.db2.gz JJKGSLDQOYTBMH-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000530880711 302032949 /nfs/dbraw/zinc/03/29/49/302032949.db2.gz CNXGGQNGQWLWPC-INIZCTEOSA-N 1 3 346.475 0.991 20 0 ECADHO C[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)CN1CCN(C)CC1 ZINC000542786550 302205173 /nfs/dbraw/zinc/20/51/73/302205173.db2.gz MNHDIJYXWIPCSA-INIZCTEOSA-N 1 3 333.480 0.908 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000547297634 302254230 /nfs/dbraw/zinc/25/42/30/302254230.db2.gz FZRCRYKYOFRWLU-WBVHZDCISA-N 1 3 326.485 0.863 20 0 ECADHO C[C@H]1CCCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551720016 302361445 /nfs/dbraw/zinc/36/14/45/302361445.db2.gz SOHUIENFTFHJIF-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)[C@@H]2CCC[C@H]21 ZINC000552043896 302382613 /nfs/dbraw/zinc/38/26/13/302382613.db2.gz FQTLJWZMUQYHCY-SOUVJXGZSA-N 1 3 342.465 0.556 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC2CC[NH2+]CC2)CC1=O ZINC000120478516 436689138 /nfs/dbraw/zinc/68/91/38/436689138.db2.gz ZYHMWNDLYGVKJZ-HZPDHXFCSA-N 1 3 336.480 0.435 20 0 ECADHO CCN1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000067608256 436717378 /nfs/dbraw/zinc/71/73/78/436717378.db2.gz PPJDMTSNVNDEDT-MRXNPFEDSA-N 1 3 326.485 0.863 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)COC2 ZINC000130616102 436841614 /nfs/dbraw/zinc/84/16/14/436841614.db2.gz HKVGHGUVMMZZGP-UHFFFAOYSA-N 1 3 348.447 0.607 20 0 ECADHO CN(CC(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CCSC1 ZINC000135843285 436925719 /nfs/dbraw/zinc/92/57/19/436925719.db2.gz LTZQYVJMDPADPA-OAHLLOKOSA-N 1 3 328.526 0.568 20 0 ECADHO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000298725157 437049861 /nfs/dbraw/zinc/04/98/61/437049861.db2.gz KMOSQXMKVKGRDZ-KRWDZBQOSA-N 1 3 334.464 0.874 20 0 ECADHO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000298725157 437049863 /nfs/dbraw/zinc/04/98/63/437049863.db2.gz KMOSQXMKVKGRDZ-KRWDZBQOSA-N 1 3 334.464 0.874 20 0 ECADHO O[C@@H](CN1CCOCC1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173955547 437069990 /nfs/dbraw/zinc/06/99/90/437069990.db2.gz WKEBWHBIAAEZBN-QGZVFWFLSA-N 1 3 341.496 0.256 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331502139 437107359 /nfs/dbraw/zinc/10/73/59/437107359.db2.gz LCLPJWNMNYDUDO-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423225842 303531876 /nfs/dbraw/zinc/53/18/76/303531876.db2.gz OLCYEUJUOOLCSC-BBWFWOEESA-N 1 3 348.491 0.531 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2COCCN2)CC1 ZINC000178873888 437236578 /nfs/dbraw/zinc/23/65/78/437236578.db2.gz WWFUKIRIYIMHOQ-SFHVURJKSA-N 1 3 346.475 0.429 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C[C@H]2N)cn1 ZINC000333615680 437277329 /nfs/dbraw/zinc/27/73/29/437277329.db2.gz SQAMDJLGNHCWMZ-FZKCQIBNSA-N 1 3 332.452 0.483 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C[C@H]2N)cn1 ZINC000333615680 437277332 /nfs/dbraw/zinc/27/73/32/437277332.db2.gz SQAMDJLGNHCWMZ-FZKCQIBNSA-N 1 3 332.452 0.483 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333726801 437283315 /nfs/dbraw/zinc/28/33/15/437283315.db2.gz HEHJLVZYPTVQII-IXDOHACOSA-N 1 3 337.512 0.796 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000339668194 437488062 /nfs/dbraw/zinc/48/80/62/437488062.db2.gz DYPLEKMZLVLJEB-GOEBONIOSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000339668194 437488066 /nfs/dbraw/zinc/48/80/66/437488066.db2.gz DYPLEKMZLVLJEB-GOEBONIOSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000339669204 437488083 /nfs/dbraw/zinc/48/80/83/437488083.db2.gz TYVYYRRMLLUNQP-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000339669204 437488089 /nfs/dbraw/zinc/48/80/89/437488089.db2.gz TYVYYRRMLLUNQP-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](O)CN(CCO)Cc1cccc(C[N@H+](CCO)C[C@H](C)O)c1 ZINC000289746447 437438766 /nfs/dbraw/zinc/43/87/66/437438766.db2.gz JYGJNOFEGNKWBS-HOTGVXAUSA-N 1 3 340.464 0.037 20 0 ECADHO C[C@H](O)CN(CCO)Cc1cccc(C[N@@H+](CCO)C[C@H](C)O)c1 ZINC000289746447 437438770 /nfs/dbraw/zinc/43/87/70/437438770.db2.gz JYGJNOFEGNKWBS-HOTGVXAUSA-N 1 3 340.464 0.037 20 0 ECADHO CO[C@@H](CN)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000290088085 437463080 /nfs/dbraw/zinc/46/30/80/437463080.db2.gz JGDAMPWUIBWBPX-IRXDYDNUSA-N 1 3 335.448 0.522 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000187971512 437518121 /nfs/dbraw/zinc/51/81/21/437518121.db2.gz GXVMRNABLCQKJF-ZWKOTPCHSA-N 1 3 347.459 0.636 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000360171686 437545983 /nfs/dbraw/zinc/54/59/83/437545983.db2.gz PNNFADVYCPEHML-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000360171686 437545985 /nfs/dbraw/zinc/54/59/85/437545985.db2.gz PNNFADVYCPEHML-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C(C)(C)n1cncn1 ZINC000340472411 437655005 /nfs/dbraw/zinc/65/50/05/437655005.db2.gz ADQSDLWIVSZOMZ-MRXNPFEDSA-N 1 3 338.500 0.381 20 0 ECADHO OCCN1CCN(CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000340517111 437682713 /nfs/dbraw/zinc/68/27/13/437682713.db2.gz KYMVOFXYEMFECC-KZNAEPCWSA-N 1 3 337.508 0.924 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000340519168 437684277 /nfs/dbraw/zinc/68/42/77/437684277.db2.gz VBTUJLXRVUINNA-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000340519168 437684281 /nfs/dbraw/zinc/68/42/81/437684281.db2.gz VBTUJLXRVUINNA-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCC1 ZINC000423583766 437768060 /nfs/dbraw/zinc/76/80/60/437768060.db2.gz ZRMLLGGHWIASOP-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO [NH3+]CCNC(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415274394 437772477 /nfs/dbraw/zinc/77/24/77/437772477.db2.gz UJEMOQVVCXYOLM-UHFFFAOYSA-N 1 3 334.420 0.565 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000340804298 437740171 /nfs/dbraw/zinc/74/01/71/437740171.db2.gz SYBXUOCUJFWGHT-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000340804298 437740175 /nfs/dbraw/zinc/74/01/75/437740175.db2.gz SYBXUOCUJFWGHT-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000362751357 437752345 /nfs/dbraw/zinc/75/23/45/437752345.db2.gz FSOBJRCTXOCBIJ-CABCVRRESA-N 1 3 339.484 0.275 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000362751357 437752348 /nfs/dbraw/zinc/75/23/48/437752348.db2.gz FSOBJRCTXOCBIJ-CABCVRRESA-N 1 3 339.484 0.275 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423775140 437829925 /nfs/dbraw/zinc/82/99/25/437829925.db2.gz LYMSLWJHUBODDX-ZBFHGGJFSA-N 1 3 342.447 0.877 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423603532 437774680 /nfs/dbraw/zinc/77/46/80/437774680.db2.gz DVWACZATKVUUES-UHFFFAOYSA-N 1 3 338.477 0.588 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCCC[NH2+]C)c2)CC1 ZINC000415308936 437781257 /nfs/dbraw/zinc/78/12/57/437781257.db2.gz QRJDGMUQGSWYJV-UHFFFAOYSA-N 1 3 347.463 0.493 20 0 ECADHO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1 ZINC000415318542 437781341 /nfs/dbraw/zinc/78/13/41/437781341.db2.gz MXDLZEIMTPNSTH-UHFFFAOYSA-N 1 3 334.420 0.387 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415363271 437790496 /nfs/dbraw/zinc/79/04/96/437790496.db2.gz DAWSYTCRTKJCJO-UHFFFAOYSA-N 1 3 340.399 0.430 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C[C@@H]21 ZINC000423669454 437798149 /nfs/dbraw/zinc/79/81/49/437798149.db2.gz SGQOGVDWGWTVFA-CVEARBPZSA-N 1 3 330.432 0.136 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423686412 437803399 /nfs/dbraw/zinc/80/33/99/437803399.db2.gz TYTZYFVEDUKXGC-HRCADAONSA-N 1 3 336.480 0.802 20 0 ECADHO C[NH+](C)CC1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000341180757 437810316 /nfs/dbraw/zinc/81/03/16/437810316.db2.gz GQJFLKOBRODPMW-UHFFFAOYSA-N 1 3 341.477 0.986 20 0 ECADHO COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423712390 437810695 /nfs/dbraw/zinc/81/06/95/437810695.db2.gz OFDOKGOJZFZOQY-HOTGVXAUSA-N 1 3 333.432 1.000 20 0 ECADHO CN(C)CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423724964 437815101 /nfs/dbraw/zinc/81/51/01/437815101.db2.gz IUTRKPIERHMXEY-MRXNPFEDSA-N 1 3 332.448 0.445 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCN1C ZINC000341203590 437815346 /nfs/dbraw/zinc/81/53/46/437815346.db2.gz OPASFDSYIZIAEQ-CABCVRRESA-N 1 3 326.485 0.957 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCN1C ZINC000341203590 437815348 /nfs/dbraw/zinc/81/53/48/437815348.db2.gz OPASFDSYIZIAEQ-CABCVRRESA-N 1 3 326.485 0.957 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000415604340 437830394 /nfs/dbraw/zinc/83/03/94/437830394.db2.gz VUYITCIFVFIZQP-SNVBAGLBSA-N 1 3 342.827 0.682 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415686269 437841998 /nfs/dbraw/zinc/84/19/98/437841998.db2.gz VCUYFPYNWHIMAM-BBRMVZONSA-N 1 3 348.447 0.822 20 0 ECADHO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N(C)C2CNC2)cc1 ZINC000415729801 437849281 /nfs/dbraw/zinc/84/92/81/437849281.db2.gz CDJZSTPICCSDRJ-UHFFFAOYSA-N 1 3 348.447 0.776 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000356991692 437881597 /nfs/dbraw/zinc/88/15/97/437881597.db2.gz UKUJEEROUNNQCT-VHRNVKJDSA-N 1 3 336.480 0.671 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000356991692 437881603 /nfs/dbraw/zinc/88/16/03/437881603.db2.gz UKUJEEROUNNQCT-VHRNVKJDSA-N 1 3 336.480 0.671 20 0 ECADHO Cc1c(C(=O)NCC[NH+](C)C)nnn1-c1cccc2c1CCN(C)C2 ZINC000365273277 437885680 /nfs/dbraw/zinc/88/56/80/437885680.db2.gz GQBAJLSJMMIVIT-UHFFFAOYSA-N 1 3 342.447 0.855 20 0 ECADHO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C(F)(F)F ZINC000416039429 437886054 /nfs/dbraw/zinc/88/60/54/437886054.db2.gz GMARKZGQUKBFHO-WDEREUQCSA-N 1 3 326.363 0.412 20 0 ECADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000371270320 437909341 /nfs/dbraw/zinc/90/93/41/437909341.db2.gz DRPOTZLBABPWGE-GOEBONIOSA-N 1 3 348.495 0.614 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424551510 437976067 /nfs/dbraw/zinc/97/60/67/437976067.db2.gz WDWRAWQOYYHRKN-JKSUJKDBSA-N 1 3 330.432 0.055 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365859746 437979886 /nfs/dbraw/zinc/97/98/86/437979886.db2.gz XZWNKNSMAGSBJP-MRXNPFEDSA-N 1 3 336.480 0.483 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357583885 438020763 /nfs/dbraw/zinc/02/07/63/438020763.db2.gz WFMKSBZBQVNIBL-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357583885 438020769 /nfs/dbraw/zinc/02/07/69/438020769.db2.gz WFMKSBZBQVNIBL-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@@H+]1C ZINC000425387271 438024037 /nfs/dbraw/zinc/02/40/37/438024037.db2.gz NCQOYNHBVNAXMJ-CAOSSQGBSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@H+]1C ZINC000425387271 438024041 /nfs/dbraw/zinc/02/40/41/438024041.db2.gz NCQOYNHBVNAXMJ-CAOSSQGBSA-N 1 3 336.480 0.480 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1(NC(N)=O)CC1 ZINC000348230867 438031864 /nfs/dbraw/zinc/03/18/64/438031864.db2.gz RMHWBUKIXIHUHM-CYBMUJFWSA-N 1 3 325.457 0.062 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1(NC(N)=O)CC1 ZINC000348230867 438031869 /nfs/dbraw/zinc/03/18/69/438031869.db2.gz RMHWBUKIXIHUHM-CYBMUJFWSA-N 1 3 325.457 0.062 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)CN1CCN(C)CC1 ZINC000366284694 438045570 /nfs/dbraw/zinc/04/55/70/438045570.db2.gz RCWCSOICPSRJOF-AEFFLSMTSA-N 1 3 337.512 0.607 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)CN1CCN(C)CC1 ZINC000366284694 438045576 /nfs/dbraw/zinc/04/55/76/438045576.db2.gz RCWCSOICPSRJOF-AEFFLSMTSA-N 1 3 337.512 0.607 20 0 ECADHO C[C@@H](CCCC[NH3+])NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417428745 438047896 /nfs/dbraw/zinc/04/78/96/438047896.db2.gz LSOVQZQFOONTOJ-GJZGRUSLSA-N 1 3 341.500 0.746 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417429265 438049333 /nfs/dbraw/zinc/04/93/33/438049333.db2.gz MSBMTINGAXPDDH-LSDHHAIUSA-N 1 3 341.500 0.746 20 0 ECADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417433069 438049578 /nfs/dbraw/zinc/04/95/78/438049578.db2.gz UWPSUOIXMOFWHK-RRFJBIMHSA-N 1 3 339.484 0.321 20 0 ECADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417433069 438049582 /nfs/dbraw/zinc/04/95/82/438049582.db2.gz UWPSUOIXMOFWHK-RRFJBIMHSA-N 1 3 339.484 0.321 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000347990367 437993202 /nfs/dbraw/zinc/99/32/02/437993202.db2.gz ZAMAWTIQECOXQH-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000416852664 437997382 /nfs/dbraw/zinc/99/73/82/437997382.db2.gz SNSZIKVTZUDBQL-GOSISDBHSA-N 1 3 347.507 0.754 20 0 ECADHO COCCCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372367658 438080144 /nfs/dbraw/zinc/08/01/44/438080144.db2.gz HDAUPIVBBFXNAU-DOTOQJQBSA-N 1 3 340.512 0.628 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000348767557 438096359 /nfs/dbraw/zinc/09/63/59/438096359.db2.gz WVGVAJHKSGWWSC-LSDHHAIUSA-N 1 3 336.480 0.553 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000348767557 438096364 /nfs/dbraw/zinc/09/63/64/438096364.db2.gz WVGVAJHKSGWWSC-LSDHHAIUSA-N 1 3 336.480 0.553 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000417474382 438055034 /nfs/dbraw/zinc/05/50/34/438055034.db2.gz NIRLWADBAJURNV-MRXNPFEDSA-N 1 3 347.463 0.529 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000417752129 438072244 /nfs/dbraw/zinc/07/22/44/438072244.db2.gz MFJZGLUCVPTYIO-HOTGVXAUSA-N 1 3 327.517 0.885 20 0 ECADHO C[C@@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000417758547 438075130 /nfs/dbraw/zinc/07/51/30/438075130.db2.gz VHFXGKDPSXZJBH-OWCLPIDISA-N 1 3 325.501 0.639 20 0 ECADHO C[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)CN1CCN(C)CC1 ZINC000417756863 438076417 /nfs/dbraw/zinc/07/64/17/438076417.db2.gz SMSXWSPTGKZEFH-WBVHZDCISA-N 1 3 333.480 0.869 20 0 ECADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000357976452 438115053 /nfs/dbraw/zinc/11/50/53/438115053.db2.gz PWKDAUJMFAJGBX-HZPDHXFCSA-N 1 3 327.517 0.898 20 0 ECADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000357976452 438115056 /nfs/dbraw/zinc/11/50/56/438115056.db2.gz PWKDAUJMFAJGBX-HZPDHXFCSA-N 1 3 327.517 0.898 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCOC2CNC2)[C@H](C)C1 ZINC000349000446 438126083 /nfs/dbraw/zinc/12/60/83/438126083.db2.gz NHRDLQRNPTXRMQ-GDBMZVCRSA-N 1 3 327.469 0.618 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CCOC2CNC2)[C@H](C)C1 ZINC000349000446 438126087 /nfs/dbraw/zinc/12/60/87/438126087.db2.gz NHRDLQRNPTXRMQ-GDBMZVCRSA-N 1 3 327.469 0.618 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000418401942 438140705 /nfs/dbraw/zinc/14/07/05/438140705.db2.gz IGNAVFWDCOSIJL-CQSZACIVSA-N 1 3 327.473 0.165 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418498500 438149991 /nfs/dbraw/zinc/14/99/91/438149991.db2.gz MJHSDHHNZNKRPJ-MRXNPFEDSA-N 1 3 325.501 0.783 20 0 ECADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000418764828 438185463 /nfs/dbraw/zinc/18/54/63/438185463.db2.gz OMOXWQYWDPSQLL-NVXWUHKLSA-N 1 3 349.479 0.501 20 0 ECADHO [NH3+][C@H](CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000418492109 438150499 /nfs/dbraw/zinc/15/04/99/438150499.db2.gz UCZVJHAOSVAHQY-AEFFLSMTSA-N 1 3 332.448 0.660 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C(=O)NCCN(C)C ZINC000418584092 438163069 /nfs/dbraw/zinc/16/30/69/438163069.db2.gz XGNZWQAVSWIGJM-SOUVJXGZSA-N 1 3 341.500 0.376 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418624138 438168556 /nfs/dbraw/zinc/16/85/56/438168556.db2.gz OUNRGDYAUFJNNZ-ZBFHGGJFSA-N 1 3 325.501 0.829 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418850079 438217073 /nfs/dbraw/zinc/21/70/73/438217073.db2.gz DJVJTRIZUCOMCR-JKSUJKDBSA-N 1 3 332.448 0.144 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000418853916 438218367 /nfs/dbraw/zinc/21/83/67/438218367.db2.gz SPFGESCIMDWXNP-HOTGVXAUSA-N 1 3 332.448 0.225 20 0 ECADHO C[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)CN1CCN(C)CC1 ZINC000433162082 438227237 /nfs/dbraw/zinc/22/72/37/438227237.db2.gz LKTNOCLWSDHKRX-INIZCTEOSA-N 1 3 339.528 0.189 20 0 ECADHO [NH3+]C1CCN(CCCC(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000433137640 438227865 /nfs/dbraw/zinc/22/78/65/438227865.db2.gz ULQYHCOHVRETMI-MRXNPFEDSA-N 1 3 338.496 0.370 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418876141 438230416 /nfs/dbraw/zinc/23/04/16/438230416.db2.gz LOBIINMLZHUKLO-DJIMGWMZSA-N 1 3 346.475 0.390 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418876760 438233008 /nfs/dbraw/zinc/23/30/08/438233008.db2.gz MOQLOLMMVRLIJK-DJIMGWMZSA-N 1 3 346.475 0.390 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418881242 438235220 /nfs/dbraw/zinc/23/52/20/438235220.db2.gz WWWQYRURPLDGIC-IAGOWNOFSA-N 1 3 346.475 0.534 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418814575 438198325 /nfs/dbraw/zinc/19/83/25/438198325.db2.gz JXZQHRAGRLDZKW-KSSFIOAISA-N 1 3 332.448 0.621 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418832644 438205151 /nfs/dbraw/zinc/20/51/51/438205151.db2.gz ZNDVXNKNIRPXLG-IBGZPJMESA-N 1 3 346.475 0.883 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418934769 438255791 /nfs/dbraw/zinc/25/57/91/438255791.db2.gz AHXMGVVOQOTLOE-KXBFYZLASA-N 1 3 346.475 0.820 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418957007 438263740 /nfs/dbraw/zinc/26/37/40/438263740.db2.gz DAHPABXLHWQABX-GJZGRUSLSA-N 1 3 334.464 0.595 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCN1CCSCC1 ZINC000358642091 438272348 /nfs/dbraw/zinc/27/23/48/438272348.db2.gz AFGGLXPUASWFGO-UHFFFAOYSA-N 1 3 345.557 0.560 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCCN1CCSCC1 ZINC000358642091 438272351 /nfs/dbraw/zinc/27/23/51/438272351.db2.gz AFGGLXPUASWFGO-UHFFFAOYSA-N 1 3 345.557 0.560 20 0 ECADHO CN(CCCN(C)C(=O)NCCN1CCSCC1)CC[NH+](C)C ZINC000358642091 438272356 /nfs/dbraw/zinc/27/23/56/438272356.db2.gz AFGGLXPUASWFGO-UHFFFAOYSA-N 1 3 345.557 0.560 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000351526968 438279394 /nfs/dbraw/zinc/27/93/94/438279394.db2.gz YCAWZEZVZUFSTH-SJORKVTESA-N 1 3 344.459 0.635 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419018808 438288676 /nfs/dbraw/zinc/28/86/76/438288676.db2.gz CORUFLNHUIQDAS-AUVVZJRPSA-N 1 3 338.496 0.855 20 0 ECADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@]2(O)CCN(C)C2)([NH+](C)C)C1 ZINC000358720908 438291799 /nfs/dbraw/zinc/29/17/99/438291799.db2.gz MSJRDYKRFPSYLB-DJIMGWMZSA-N 1 3 326.485 0.863 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419023505 438294130 /nfs/dbraw/zinc/29/41/30/438294130.db2.gz JUBMOUIVETYJDS-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419111197 438325604 /nfs/dbraw/zinc/32/56/04/438325604.db2.gz SWRHFWWSDZMGOR-HOCLYGCPSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419133234 438339465 /nfs/dbraw/zinc/33/94/65/438339465.db2.gz FOMHVMIWJCNCDZ-LBPRGKRZSA-N 1 3 338.477 0.540 20 0 ECADHO C[C@@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000358864149 438317702 /nfs/dbraw/zinc/31/77/02/438317702.db2.gz JWDFEOMPCYNDLW-WMLDXEAASA-N 1 3 336.455 0.868 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420120476 438389397 /nfs/dbraw/zinc/38/93/97/438389397.db2.gz LUTMVZRBMCUWPT-HUUCEWRRSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000351859229 438350527 /nfs/dbraw/zinc/35/05/27/438350527.db2.gz GCGJWURQEAYBHL-CVEARBPZSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C(=O)NCCN)C1 ZINC000419364009 438354692 /nfs/dbraw/zinc/35/46/92/438354692.db2.gz WKFGHXCYRXQTPH-GJZGRUSLSA-N 1 3 346.475 0.856 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N1CCC(C)CC1 ZINC000419370279 438355005 /nfs/dbraw/zinc/35/50/05/438355005.db2.gz JNXJZNBKUHRMAP-HZPDHXFCSA-N 1 3 338.496 0.713 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419701315 438368944 /nfs/dbraw/zinc/36/89/44/438368944.db2.gz TWSGFSDRGGJJOB-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419704746 438369228 /nfs/dbraw/zinc/36/92/28/438369228.db2.gz YMSMYKNKDZJITJ-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419785729 438372320 /nfs/dbraw/zinc/37/23/20/438372320.db2.gz ZIDRWZHZSWOVRO-CABCVRRESA-N 1 3 338.496 0.810 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000419959390 438379982 /nfs/dbraw/zinc/37/99/82/438379982.db2.gz QXSYHOVXUNOCID-CVEARBPZSA-N 1 3 338.496 0.666 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000419959390 438379987 /nfs/dbraw/zinc/37/99/87/438379987.db2.gz QXSYHOVXUNOCID-CVEARBPZSA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420013783 438381425 /nfs/dbraw/zinc/38/14/25/438381425.db2.gz JMTGCMFMIFINEC-QKPAOTATSA-N 1 3 338.496 0.999 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])N1CCC[C@@H](C)C1 ZINC000420071232 438384747 /nfs/dbraw/zinc/38/47/47/438384747.db2.gz WLVAGCZBMPSWIS-WCVJEAGWSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H](O)COC(=O)CCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369185495 438434179 /nfs/dbraw/zinc/43/41/79/438434179.db2.gz VRAIMIYIAFKDPC-LSDHHAIUSA-N 1 3 327.469 0.401 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000391025047 438437198 /nfs/dbraw/zinc/43/71/98/438437198.db2.gz RMYAKHAGRGKWKL-OKZBNKHCSA-N 1 3 347.459 0.771 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000420785371 438438892 /nfs/dbraw/zinc/43/88/92/438438892.db2.gz ASFYYXFCOUZVSS-OAHLLOKOSA-N 1 3 338.496 0.918 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000359457026 438439401 /nfs/dbraw/zinc/43/94/01/438439401.db2.gz KTEZYCQYRKSPMD-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000359459050 438440283 /nfs/dbraw/zinc/44/02/83/438440283.db2.gz DUHRKSBTKFMBGT-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000359459050 438440288 /nfs/dbraw/zinc/44/02/88/438440288.db2.gz DUHRKSBTKFMBGT-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(CC)C2CC2)C1 ZINC000359276653 438401266 /nfs/dbraw/zinc/40/12/66/438401266.db2.gz QRHGSGUPYODRHF-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(CC)C2CC2)C1 ZINC000359276653 438401269 /nfs/dbraw/zinc/40/12/69/438401269.db2.gz QRHGSGUPYODRHF-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000359298507 438407763 /nfs/dbraw/zinc/40/77/63/438407763.db2.gz ZJKBBYNAQHNLAA-CQSZACIVSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000369048979 438417119 /nfs/dbraw/zinc/41/71/19/438417119.db2.gz RPODSKAATNPKGZ-CRAIPNDOSA-N 1 3 336.480 0.389 20 0 ECADHO CN1CCN(CC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1(C)C ZINC000408013344 438486095 /nfs/dbraw/zinc/48/60/95/438486095.db2.gz SLQGBMQELIVWTO-GJZGRUSLSA-N 1 3 331.526 0.958 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000421727776 438497405 /nfs/dbraw/zinc/49/74/05/438497405.db2.gz ZXXXGERONKCQFY-XJKSGUPXSA-N 1 3 342.509 0.093 20 0 ECADHO C[NH+](C)CCOCCN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000353594799 438512011 /nfs/dbraw/zinc/51/20/11/438512011.db2.gz HQRBLHCLUMQRPU-MRXNPFEDSA-N 1 3 341.477 0.879 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000422121929 438523790 /nfs/dbraw/zinc/52/37/90/438523790.db2.gz VWENYUQKPNQVRW-PMPSAXMXSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000422121929 438523795 /nfs/dbraw/zinc/52/37/95/438523795.db2.gz VWENYUQKPNQVRW-PMPSAXMXSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353705526 438525302 /nfs/dbraw/zinc/52/53/02/438525302.db2.gz CPBDAKOOJXKPMV-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353705526 438525305 /nfs/dbraw/zinc/52/53/05/438525305.db2.gz CPBDAKOOJXKPMV-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO CN(CC1CC[NH+](C)CC1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440984843 438573407 /nfs/dbraw/zinc/57/34/07/438573407.db2.gz OMQDWOCHUAEMCM-UHFFFAOYSA-N 1 3 339.528 0.996 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC(C)(C)CC[NH3+] ZINC000422596864 438592679 /nfs/dbraw/zinc/59/26/79/438592679.db2.gz IGQHMTXEHAOMGZ-ZDUSSCGKSA-N 1 3 327.473 0.356 20 0 ECADHO COC[C@@H](CCC[NH3+])NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000422938058 438619043 /nfs/dbraw/zinc/61/90/43/438619043.db2.gz PDVFGALJLYJWRD-CQSZACIVSA-N 1 3 329.466 0.617 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422979362 438623684 /nfs/dbraw/zinc/62/36/84/438623684.db2.gz JMTNWFMGLSSABF-MRXNPFEDSA-N 1 3 348.491 0.722 20 0 ECADHO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cc1S(N)(=O)=O ZINC000423018078 438629389 /nfs/dbraw/zinc/62/93/89/438629389.db2.gz QCCSDTDTQRWEBH-KGLIPLIRSA-N 1 3 341.477 0.992 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423152274 438642507 /nfs/dbraw/zinc/64/25/07/438642507.db2.gz LLBNBJLFWXKVNR-PMPSAXMXSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C[C@@]1(C)C[NH3+] ZINC000423200393 438647835 /nfs/dbraw/zinc/64/78/35/438647835.db2.gz MDODFUVOSRCHTQ-IIDMSEBBSA-N 1 3 336.480 0.517 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423220635 438650406 /nfs/dbraw/zinc/65/04/06/438650406.db2.gz YORPOYARIYSNIA-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CS(=O)(=O)NCCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422802632 438607685 /nfs/dbraw/zinc/60/76/85/438607685.db2.gz HRVZRZSHNAZFOD-ZBFHGGJFSA-N 1 3 339.461 0.771 20 0 ECADHO COC[C@@]1(C(=O)NCc2ccc(OCCN(C)C)cc2)CC[NH2+]C1 ZINC000423344979 438663471 /nfs/dbraw/zinc/66/34/71/438663471.db2.gz XIPDMNVVZGVIFT-GOSISDBHSA-N 1 3 335.448 0.869 20 0 ECADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000423353894 438664610 /nfs/dbraw/zinc/66/46/10/438664610.db2.gz FFNFOPZIZIXZBO-RHSMWYFYSA-N 1 3 346.475 0.982 20 0 ECADHO FC(F)(F)[C@H](CN[C@H](C1CC1)[C@@H]1CNCCO1)N1CC[NH2+]CC1 ZINC000423381400 438669496 /nfs/dbraw/zinc/66/94/96/438669496.db2.gz FNBGOZVGXPHSDJ-MELADBBJSA-N 1 3 336.402 0.179 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423401159 438673207 /nfs/dbraw/zinc/67/32/07/438673207.db2.gz WXTUZLNQOZRGLV-HZPDHXFCSA-N 1 3 335.452 0.648 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423511297 438682155 /nfs/dbraw/zinc/68/21/55/438682155.db2.gz OOMCZJDPUJWAST-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)C(=O)N1CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C(C)(C)C1 ZINC000414750128 438716302 /nfs/dbraw/zinc/71/63/02/438716302.db2.gz ZMNFRPQTTTZXPJ-AWEZNQCLSA-N 1 3 339.484 0.262 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414837373 438717809 /nfs/dbraw/zinc/71/78/09/438717809.db2.gz HASJMFKKYHAHFW-CQSZACIVSA-N 1 3 334.420 0.563 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414886977 438721516 /nfs/dbraw/zinc/72/15/16/438721516.db2.gz WFNXRXPHBIRQPQ-ZDUSSCGKSA-N 1 3 348.447 0.954 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414886977 438721521 /nfs/dbraw/zinc/72/15/21/438721521.db2.gz WFNXRXPHBIRQPQ-ZDUSSCGKSA-N 1 3 348.447 0.954 20 0 ECADHO CNC[C@@H](O)C[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496054070 438738232 /nfs/dbraw/zinc/73/82/32/438738232.db2.gz UQAHSNWYCLOIIC-CJNGLKHVSA-N 1 3 331.457 0.308 20 0 ECADHO C[NH+]1CCC(n2ccc(NC(=O)NCCNc3ccncc3)n2)CC1 ZINC000551954956 438739925 /nfs/dbraw/zinc/73/99/25/438739925.db2.gz JBFQISTVIVXFPW-UHFFFAOYSA-N 1 3 343.435 1.200 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000575236680 438743024 /nfs/dbraw/zinc/74/30/24/438743024.db2.gz MOCCMVRUBNNLMH-UHFFFAOYSA-N 1 3 346.475 0.883 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000575233873 438743700 /nfs/dbraw/zinc/74/37/00/438743700.db2.gz LLTKHZMDNRTHKZ-ZDUSSCGKSA-N 1 3 336.436 0.795 20 0 ECADHO Cc1ncc2n1C[C@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)CC2 ZINC000553221660 438747661 /nfs/dbraw/zinc/74/76/61/438747661.db2.gz LMMLJNDDLLFMKT-GOEBONIOSA-N 1 3 333.480 0.896 20 0 ECADHO COC[C@@]1(CNC(=O)[C@H]2CCCN2C2CCOCC2)CCC[NH2+]1 ZINC000575866963 438758856 /nfs/dbraw/zinc/75/88/56/438758856.db2.gz UXQVLZICDKZJLZ-WBVHZDCISA-N 1 3 325.453 0.515 20 0 ECADHO O=C1O[C@@]2(CN1CN1CCN(CC3CC3)CC1)C[NH+]1CCC2CC1 ZINC000497125608 438768713 /nfs/dbraw/zinc/76/87/13/438768713.db2.gz GPAYRJZQOHRMKP-GOSISDBHSA-N 1 3 334.464 0.888 20 0 ECADHO [NH3+]CC1(O)CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000576402525 438782285 /nfs/dbraw/zinc/78/22/85/438782285.db2.gz HYRZVTIBEGMREV-UHFFFAOYSA-N 1 3 346.475 0.511 20 0 ECADHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000457680223 438819216 /nfs/dbraw/zinc/81/92/16/438819216.db2.gz BQEZONHGHTYBTK-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000457680223 438819217 /nfs/dbraw/zinc/81/92/17/438819217.db2.gz BQEZONHGHTYBTK-JKSUJKDBSA-N 1 3 326.485 0.864 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000516168327 438894224 /nfs/dbraw/zinc/89/42/24/438894224.db2.gz GQEMUPKGLNBSIM-INIZCTEOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000578186308 438903388 /nfs/dbraw/zinc/90/33/88/438903388.db2.gz DVEWDNYWSUGRJF-JKSUJKDBSA-N 1 3 334.468 0.588 20 0 ECADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000577721292 438864593 /nfs/dbraw/zinc/86/45/93/438864593.db2.gz UZVIPZFBHIVCDZ-AWEZNQCLSA-N 1 3 348.447 0.906 20 0 ECADHO COCCN(C)C[C@H](O)C[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000577742839 438866083 /nfs/dbraw/zinc/86/60/83/438866083.db2.gz HSQOXGLKWIXWKO-RDJZCZTQSA-N 1 3 329.485 0.111 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C[C@H]21 ZINC000577739807 438867037 /nfs/dbraw/zinc/86/70/37/438867037.db2.gz QJEXJTHXNYZMBG-QBPKDAKJSA-N 1 3 348.491 0.659 20 0 ECADHO CSCC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000577749083 438869135 /nfs/dbraw/zinc/86/91/35/438869135.db2.gz KGOMQZFJILORQC-CABCVRRESA-N 1 3 328.526 0.694 20 0 ECADHO CS[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@@H]1N1CCCC1 ZINC000601397326 438874063 /nfs/dbraw/zinc/87/40/63/438874063.db2.gz LLILRAYHLNAIJG-UONOGXRCSA-N 1 3 335.539 0.780 20 0 ECADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900754 438882789 /nfs/dbraw/zinc/88/27/89/438882789.db2.gz KKJOWRIFVYYYSU-ZFWWWQNUSA-N 1 3 340.468 0.559 20 0 ECADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000516771369 438926062 /nfs/dbraw/zinc/92/60/62/438926062.db2.gz JXNGGEJNIKCDSK-IJEWVQPXSA-N 1 3 332.452 0.586 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000459039688 438940660 /nfs/dbraw/zinc/94/06/60/438940660.db2.gz KBTUABRXYIUGJG-YJBOKZPZSA-N 1 3 334.464 0.873 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000517024299 438946385 /nfs/dbraw/zinc/94/63/85/438946385.db2.gz PLMUQQSWFYCOGR-HRCADAONSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H]1CN(C[C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC000517359664 438960052 /nfs/dbraw/zinc/96/00/52/438960052.db2.gz LHLZNGGSNBVIKN-OWSLCNJRSA-N 1 3 343.512 0.547 20 0 ECADHO C[C@H]1CN(C[C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC000517359664 438960056 /nfs/dbraw/zinc/96/00/56/438960056.db2.gz LHLZNGGSNBVIKN-OWSLCNJRSA-N 1 3 343.512 0.547 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000517539675 438968644 /nfs/dbraw/zinc/96/86/44/438968644.db2.gz SJOMQJDSGZBGKZ-HZPDHXFCSA-N 1 3 325.501 0.781 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000517539675 438968648 /nfs/dbraw/zinc/96/86/48/438968648.db2.gz SJOMQJDSGZBGKZ-HZPDHXFCSA-N 1 3 325.501 0.781 20 0 ECADHO O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000578979661 438969874 /nfs/dbraw/zinc/96/98/74/438969874.db2.gz PMLODKXRMZQIFR-DLBZAZTESA-N 1 3 332.448 0.939 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000565706125 438970855 /nfs/dbraw/zinc/97/08/55/438970855.db2.gz UTTRQVAUWQNBMK-MSOLQXFVSA-N 1 3 345.491 0.854 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000517700761 438973667 /nfs/dbraw/zinc/97/36/67/438973667.db2.gz OQDGHJVKWJRJKG-INIZCTEOSA-N 1 3 325.501 0.748 20 0 ECADHO CC1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C[NH2+]C1 ZINC000566007094 438995621 /nfs/dbraw/zinc/99/56/21/438995621.db2.gz FDIHRYFZBRXJCC-UHFFFAOYSA-N 1 3 330.432 0.932 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000566068855 439002521 /nfs/dbraw/zinc/00/25/21/439002521.db2.gz HJSSIYULAAQRPU-GJZGRUSLSA-N 1 3 346.475 0.793 20 0 ECADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C[C@@H]3CSCCN3)CC2)C1 ZINC000519643623 439049428 /nfs/dbraw/zinc/04/94/28/439049428.db2.gz KENBMXULWCGCKE-KFWWJZLASA-N 1 3 327.494 0.826 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000579465444 439011978 /nfs/dbraw/zinc/01/19/78/439011978.db2.gz ZEFPEGOFZQNUSI-ZWKOTPCHSA-N 1 3 326.529 0.552 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000579465444 439011983 /nfs/dbraw/zinc/01/19/83/439011983.db2.gz ZEFPEGOFZQNUSI-ZWKOTPCHSA-N 1 3 326.529 0.552 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000591456995 439016229 /nfs/dbraw/zinc/01/62/29/439016229.db2.gz JKBXBAFZABDADJ-MRXNPFEDSA-N 1 3 332.448 0.546 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000591456995 439016232 /nfs/dbraw/zinc/01/62/32/439016232.db2.gz JKBXBAFZABDADJ-MRXNPFEDSA-N 1 3 332.448 0.546 20 0 ECADHO CCOC(=O)C1([C@@H](C)NCC(=O)NC2CCCC2)CC[NH2+]CC1 ZINC000591570366 439023797 /nfs/dbraw/zinc/02/37/97/439023797.db2.gz HCBPNQNKJOJIOK-CYBMUJFWSA-N 1 3 325.453 0.956 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCCN(C)C1 ZINC000591571327 439024149 /nfs/dbraw/zinc/02/41/49/439024149.db2.gz JJZIYRUEKVUKGZ-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCCN(C)C1 ZINC000591571327 439024152 /nfs/dbraw/zinc/02/41/52/439024152.db2.gz JJZIYRUEKVUKGZ-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000459913405 439033044 /nfs/dbraw/zinc/03/30/44/439033044.db2.gz WKLRPRLQTZZXKM-INIZCTEOSA-N 1 3 340.512 0.833 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000459913405 439033047 /nfs/dbraw/zinc/03/30/47/439033047.db2.gz WKLRPRLQTZZXKM-INIZCTEOSA-N 1 3 340.512 0.833 20 0 ECADHO CC(C)[C@H](CNC(=O)NCCOCC[NH+](C)C)N1CCN(C)CC1 ZINC000471635409 439086143 /nfs/dbraw/zinc/08/61/43/439086143.db2.gz JDMOXNREZHMCHY-INIZCTEOSA-N 1 3 343.516 0.136 20 0 ECADHO CC(C)CN1CCCC[C@@H]1C[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000580435219 439091902 /nfs/dbraw/zinc/09/19/02/439091902.db2.gz PZGZFXHLYRRAAW-MSOLQXFVSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC[C@H](O)CN1CCN(C)CC1 ZINC000580435219 439091906 /nfs/dbraw/zinc/09/19/06/439091906.db2.gz PZGZFXHLYRRAAW-MSOLQXFVSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC[C@H](O)CN1CCN(C)CC1 ZINC000580435219 439091911 /nfs/dbraw/zinc/09/19/11/439091911.db2.gz PZGZFXHLYRRAAW-MSOLQXFVSA-N 1 3 326.529 0.695 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000566852647 439093607 /nfs/dbraw/zinc/09/36/07/439093607.db2.gz KNIYWFHMGJVQGG-DLBZAZTESA-N 1 3 332.448 0.749 20 0 ECADHO COCCN1CC[C@@H](NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000521040039 439102197 /nfs/dbraw/zinc/10/21/97/439102197.db2.gz XMIUDPTWHNAPRZ-NVXWUHKLSA-N 1 3 332.448 0.975 20 0 ECADHO CSCC[C@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000602537678 439108308 /nfs/dbraw/zinc/10/83/08/439108308.db2.gz CACDONBIZPRTJA-AWEZNQCLSA-N 1 3 338.477 0.997 20 0 ECADHO COCCN(C)C[C@H](O)C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000580208609 439073855 /nfs/dbraw/zinc/07/38/55/439073855.db2.gz HOOIUYXIJRDMHQ-SFHVURJKSA-N 1 3 343.512 0.360 20 0 ECADHO O=C(CC[NH2+]C1CC1)NCCCN1CCN(c2ccncc2)CC1 ZINC000520427993 439084846 /nfs/dbraw/zinc/08/48/46/439084846.db2.gz HBDBCEGNIAVVRO-UHFFFAOYSA-N 1 3 331.464 0.852 20 0 ECADHO C[C@H]1CCN(C)CCN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000567712616 439169834 /nfs/dbraw/zinc/16/98/34/439169834.db2.gz HDMSXBQBWHGLJW-ZDUSSCGKSA-N 1 3 333.440 0.444 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000521640670 439128282 /nfs/dbraw/zinc/12/82/82/439128282.db2.gz ZYIVFPRXDGNILZ-FZMZJTMJSA-N 1 3 343.497 0.562 20 0 ECADHO CC(CNC(=O)CN1CC[C@H](C)C1)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000567290163 439131514 /nfs/dbraw/zinc/13/15/14/439131514.db2.gz XSINKVOQTFHWJA-GJZGRUSLSA-N 1 3 338.496 0.539 20 0 ECADHO CC(CNC(=O)CN1CC[C@H](C)C1)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000567290163 439131520 /nfs/dbraw/zinc/13/15/20/439131520.db2.gz XSINKVOQTFHWJA-GJZGRUSLSA-N 1 3 338.496 0.539 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000580887105 439142366 /nfs/dbraw/zinc/14/23/66/439142366.db2.gz AGXYAJJSSCEZNP-VKJFTORMSA-N 1 3 334.464 0.284 20 0 ECADHO COC1([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCC1 ZINC000567638313 439158702 /nfs/dbraw/zinc/15/87/02/439158702.db2.gz COVBTBHWSUUBTJ-AWEZNQCLSA-N 1 3 342.484 0.012 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000487749700 439161887 /nfs/dbraw/zinc/16/18/87/439161887.db2.gz MDNSSXKATCBUMB-DLBZAZTESA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000487749700 439161892 /nfs/dbraw/zinc/16/18/92/439161892.db2.gz MDNSSXKATCBUMB-DLBZAZTESA-N 1 3 338.496 0.729 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000523075444 439162401 /nfs/dbraw/zinc/16/24/01/439162401.db2.gz BUQUXFCXRRCYQK-CQSZACIVSA-N 1 3 348.447 0.763 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000523075444 439162403 /nfs/dbraw/zinc/16/24/03/439162403.db2.gz BUQUXFCXRRCYQK-CQSZACIVSA-N 1 3 348.447 0.763 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCCNC1=O ZINC000523749410 439178643 /nfs/dbraw/zinc/17/86/43/439178643.db2.gz GKICLSWIEYERFI-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCCNC1=O ZINC000523749410 439178646 /nfs/dbraw/zinc/17/86/46/439178646.db2.gz GKICLSWIEYERFI-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000524786073 439195942 /nfs/dbraw/zinc/19/59/42/439195942.db2.gz AYSRHHCHDCRWRS-INIZCTEOSA-N 1 3 325.501 0.798 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000524786073 439195943 /nfs/dbraw/zinc/19/59/43/439195943.db2.gz AYSRHHCHDCRWRS-INIZCTEOSA-N 1 3 325.501 0.798 20 0 ECADHO NC1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCCC1 ZINC000567926309 439198207 /nfs/dbraw/zinc/19/82/07/439198207.db2.gz GPNGUXQZWZYBPL-CABCVRRESA-N 1 3 349.479 0.395 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000568087046 439211217 /nfs/dbraw/zinc/21/12/17/439211217.db2.gz KMIXACNFCACQQX-DLBZAZTESA-N 1 3 331.464 0.313 20 0 ECADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000582011334 439279695 /nfs/dbraw/zinc/27/96/95/439279695.db2.gz YFXATXKBPRUHTN-BPQIPLTHSA-N 1 3 325.497 0.874 20 0 ECADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000582011334 439279697 /nfs/dbraw/zinc/27/96/97/439279697.db2.gz YFXATXKBPRUHTN-BPQIPLTHSA-N 1 3 325.497 0.874 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000568507900 439253785 /nfs/dbraw/zinc/25/37/85/439253785.db2.gz OLLXEYVPIBMFFN-ZNMIVQPWSA-N 1 3 332.452 0.729 20 0 ECADHO Cc1ccc(NC(=O)[C@@H]2CCCN(CCN3CC[NH2+]CC3)C2)nc1 ZINC000569367518 439328591 /nfs/dbraw/zinc/32/85/91/439328591.db2.gz FJUMYSJMXMBVNJ-MRXNPFEDSA-N 1 3 331.464 0.946 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCc1ccccc1 ZINC000582891005 439393800 /nfs/dbraw/zinc/39/38/00/439393800.db2.gz KJJVODZMNLJSCL-UHFFFAOYSA-N 1 3 348.491 0.639 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000583375421 439455677 /nfs/dbraw/zinc/45/56/77/439455677.db2.gz DUUBNXZCVDWSPR-ARFHVFGLSA-N 1 3 336.480 0.515 20 0 ECADHO CC[C@H]1CN(C)CCN1C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000571261555 439486324 /nfs/dbraw/zinc/48/63/24/439486324.db2.gz MLZIXDXHTLIWBD-SJORKVTESA-N 1 3 339.528 0.996 20 0 ECADHO CN(C)C/C=C\C(=O)N1CCC[C@H]2CN(C(=O)/C=C\C[NH+](C)C)C[C@H]21 ZINC000492057222 439488642 /nfs/dbraw/zinc/48/86/42/439488642.db2.gz KQIBYGVKDFJKEL-OKFSPNGPSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C)C/C=C\C(=O)N1C[C@@H]2CCCN(C(=O)/C=C\C[NH+](C)C)[C@@H]2C1 ZINC000492057222 439488649 /nfs/dbraw/zinc/48/86/49/439488649.db2.gz KQIBYGVKDFJKEL-OKFSPNGPSA-N 1 3 348.491 0.671 20 0 ECADHO CN(C)S(=O)(=O)CCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238531 439494072 /nfs/dbraw/zinc/49/40/72/439494072.db2.gz ALEZIUIPLSDFRY-HNNXBMFYSA-N 1 3 333.498 0.358 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000583684020 439498260 /nfs/dbraw/zinc/49/82/60/439498260.db2.gz ZOERHAAKTJPMID-LVQVYYBASA-N 1 3 336.480 0.705 20 0 ECADHO C[C@H]1C[C@H](CN2CCN(c3ncnc4c3cnn4C)CC2)CC[NH2+]1 ZINC000583740390 439505359 /nfs/dbraw/zinc/50/53/59/439505359.db2.gz ZMTAFAOCKAAUPV-UONOGXRCSA-N 1 3 329.452 0.873 20 0 ECADHO C[C@H]1C[C@@H](CN2CCN(c3ncnc4c3cnn4C)CC2)CC[NH2+]1 ZINC000583740388 439506019 /nfs/dbraw/zinc/50/60/19/439506019.db2.gz ZMTAFAOCKAAUPV-KBPBESRZSA-N 1 3 329.452 0.873 20 0 ECADHO CN(CC(C)(C)CN1CCOCC1)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000571879184 439540059 /nfs/dbraw/zinc/54/00/59/439540059.db2.gz IXWWRNCNEJZNIN-AWEZNQCLSA-N 1 3 349.479 0.917 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)COC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000572002661 439549896 /nfs/dbraw/zinc/54/98/96/439549896.db2.gz BTDMFYJUHQRSQU-GASCZTMLSA-N 1 3 327.469 0.761 20 0 ECADHO Cc1cc(NC(=O)CCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)no1 ZINC000572384382 439578375 /nfs/dbraw/zinc/57/83/75/439578375.db2.gz UVJKITIFZKEGEJ-PBHICJAKSA-N 1 3 336.436 1.530 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000572383507 439579120 /nfs/dbraw/zinc/57/91/20/439579120.db2.gz XZZBCFKFIHHJME-PMPSAXMXSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CCCN(C)C3)C2)CC1 ZINC000610733009 439642556 /nfs/dbraw/zinc/64/25/56/439642556.db2.gz BJRIECXGWGYVKD-IRXDYDNUSA-N 1 3 337.512 0.891 20 0 ECADHO COCc1nc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000573501647 439650477 /nfs/dbraw/zinc/65/04/77/439650477.db2.gz FPMTWRKXJQJYPP-UHFFFAOYSA-N 1 3 343.497 0.924 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000611640438 439715059 /nfs/dbraw/zinc/71/50/59/439715059.db2.gz ITHJUZNNGQJBCS-UMVBOHGHSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)C[N@H+]1C1CC1 ZINC000611640438 439715062 /nfs/dbraw/zinc/71/50/62/439715062.db2.gz ITHJUZNNGQJBCS-UMVBOHGHSA-N 1 3 336.480 0.717 20 0 ECADHO CC[NH+]1CCC(CNC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000573926156 439674706 /nfs/dbraw/zinc/67/47/06/439674706.db2.gz DTBVBAADFUPURZ-MRXNPFEDSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[C@@H]1N1CCN(C)CC1 ZINC000612980281 439747956 /nfs/dbraw/zinc/74/79/56/439747956.db2.gz OLNKPDVJMSSGHK-IKGGRYGDSA-N 1 3 349.523 0.796 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000612545087 439725606 /nfs/dbraw/zinc/72/56/06/439725606.db2.gz IQWBMJCLLZQWGV-HZPDHXFCSA-N 1 3 336.480 0.531 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000612045594 439745185 /nfs/dbraw/zinc/74/51/85/439745185.db2.gz VIPHNEYIQRDFKK-ARFHVFGLSA-N 1 3 336.480 0.720 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000612045594 439745186 /nfs/dbraw/zinc/74/51/86/439745186.db2.gz VIPHNEYIQRDFKK-ARFHVFGLSA-N 1 3 336.480 0.720 20 0 ECADHO CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1(C)C ZINC000646675475 439859727 /nfs/dbraw/zinc/85/97/27/439859727.db2.gz AVCBTZKDQCHABR-KSSFIOAISA-N 1 3 347.463 0.962 20 0 ECADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000662759573 439881833 /nfs/dbraw/zinc/88/18/33/439881833.db2.gz UVCDNNHGYVDUMO-IAGOWNOFSA-N 1 3 347.463 0.074 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)C1 ZINC000662757204 439879526 /nfs/dbraw/zinc/87/95/26/439879526.db2.gz KVHXYACXLPUUAD-UKRRQHHQSA-N 1 3 348.413 0.767 20 0 ECADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])ccc2oc1=O ZINC000662701122 439851332 /nfs/dbraw/zinc/85/13/32/439851332.db2.gz MAWCPNNLTVUSMN-SWLSCSKDSA-N 1 3 348.403 0.458 20 0 ECADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])ccc2oc1=O ZINC000662701120 439851670 /nfs/dbraw/zinc/85/16/70/439851670.db2.gz MAWCPNNLTVUSMN-DOMZBBRYSA-N 1 3 348.403 0.458 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000652459434 439855754 /nfs/dbraw/zinc/85/57/54/439855754.db2.gz RDBJIKCOKSADGT-HOTGVXAUSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000652459434 439855759 /nfs/dbraw/zinc/85/57/59/439855759.db2.gz RDBJIKCOKSADGT-HOTGVXAUSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000652459436 439856245 /nfs/dbraw/zinc/85/62/45/439856245.db2.gz RDBJIKCOKSADGT-JKSUJKDBSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000652459436 439856250 /nfs/dbraw/zinc/85/62/50/439856250.db2.gz RDBJIKCOKSADGT-JKSUJKDBSA-N 1 3 340.512 0.879 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000652697714 439924358 /nfs/dbraw/zinc/92/43/58/439924358.db2.gz LNZONVNKTJWBHB-MRXNPFEDSA-N 1 3 334.464 0.897 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000652697714 439924363 /nfs/dbraw/zinc/92/43/63/439924363.db2.gz LNZONVNKTJWBHB-MRXNPFEDSA-N 1 3 334.464 0.897 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000652700377 439927639 /nfs/dbraw/zinc/92/76/39/439927639.db2.gz QFMNFEMZCWWPGX-ZIAGYGMSSA-N 1 3 342.484 0.310 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000652700377 439927648 /nfs/dbraw/zinc/92/76/48/439927648.db2.gz QFMNFEMZCWWPGX-ZIAGYGMSSA-N 1 3 342.484 0.310 20 0 ECADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1(NC2CC2)CCC1 ZINC000662772343 439883688 /nfs/dbraw/zinc/88/36/88/439883688.db2.gz GQHHEYLPHGGXER-GFCCVEGCSA-N 1 3 334.386 0.613 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652635095 439896950 /nfs/dbraw/zinc/89/69/50/439896950.db2.gz HDVYZVSBRLXNIB-UHFFFAOYSA-N 1 3 348.447 0.811 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000617507034 439902364 /nfs/dbraw/zinc/90/23/64/439902364.db2.gz FXPRHWATRWIFEY-RRFJBIMHSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000617507034 439902368 /nfs/dbraw/zinc/90/23/68/439902368.db2.gz FXPRHWATRWIFEY-RRFJBIMHSA-N 1 3 326.485 0.666 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(n1)OCCO2 ZINC000617502410 439902390 /nfs/dbraw/zinc/90/23/90/439902390.db2.gz OJPAQQHCPKPABU-ZDUSSCGKSA-N 1 3 336.436 0.855 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(n1)OCCO2 ZINC000617502410 439902394 /nfs/dbraw/zinc/90/23/94/439902394.db2.gz OJPAQQHCPKPABU-ZDUSSCGKSA-N 1 3 336.436 0.855 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCC(C)(C)[NH3+] ZINC000641806752 439918214 /nfs/dbraw/zinc/91/82/14/439918214.db2.gz QZMRZHXDLCROAE-UHFFFAOYSA-N 1 3 331.486 0.467 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642330456 439972284 /nfs/dbraw/zinc/97/22/84/439972284.db2.gz LIRWPWGIMPILCT-RBSFLKMASA-N 1 3 338.496 0.809 20 0 ECADHO CN1CCN(CCCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626980444 439977288 /nfs/dbraw/zinc/97/72/88/439977288.db2.gz HHHPEWYVYUGIJW-HDICACEKSA-N 1 3 337.512 0.655 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NCC2(COC)CC[NH2+]CC2)C1(C)C ZINC000647038000 439977364 /nfs/dbraw/zinc/97/73/64/439977364.db2.gz LTWLLXICBIJQHI-DYVFJYSZSA-N 1 3 327.469 0.651 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000658526644 439979903 /nfs/dbraw/zinc/97/99/03/439979903.db2.gz OLXOWHWLLUDKEP-INIZCTEOSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000642439459 439981502 /nfs/dbraw/zinc/98/15/02/439981502.db2.gz HPCMLOTZCQJUSY-HZPDHXFCSA-N 1 3 332.448 0.793 20 0 ECADHO CC[C@@H]1CCCCN1CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631920237 439983366 /nfs/dbraw/zinc/98/33/66/439983366.db2.gz VHKUIJWUWHYDLU-CQSZACIVSA-N 1 3 332.514 0.769 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642104441 439948046 /nfs/dbraw/zinc/94/80/46/439948046.db2.gz SSJBDEHFXXIHDJ-MRXNPFEDSA-N 1 3 332.448 0.144 20 0 ECADHO CN(C)CCN1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1=O ZINC000652734498 439956034 /nfs/dbraw/zinc/95/60/34/439956034.db2.gz MPOMVCMRRMLQGS-KRWDZBQOSA-N 1 3 346.475 0.912 20 0 ECADHO O=C(NCc1ccc2c(c1)CNC2)c1cn(C2CC[NH2+]CC2)nn1 ZINC000646990459 439960434 /nfs/dbraw/zinc/96/04/34/439960434.db2.gz IXUZNTKWEBPEJG-UHFFFAOYSA-N 1 3 326.404 0.736 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000662942504 439960473 /nfs/dbraw/zinc/96/04/73/439960473.db2.gz IVIBQSDDOPHESF-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1=O ZINC000662943736 439961296 /nfs/dbraw/zinc/96/12/96/439961296.db2.gz BNBUBJYPRXCCAZ-KBUPBQIOSA-N 1 3 340.443 0.217 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1=O ZINC000662943736 439961301 /nfs/dbraw/zinc/96/13/01/439961301.db2.gz BNBUBJYPRXCCAZ-KBUPBQIOSA-N 1 3 340.443 0.217 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000627012033 439988916 /nfs/dbraw/zinc/98/89/16/439988916.db2.gz PBKWABFJFJZOTM-IAOVAPTHSA-N 1 3 332.448 0.803 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)C[C@@H]([NH3+])c3ccccc3)C2)nn1 ZINC000647087795 439996409 /nfs/dbraw/zinc/99/64/09/439996409.db2.gz KIQPVHMQIMFNDW-JKSUJKDBSA-N 1 3 328.420 0.990 20 0 ECADHO O=S(=O)(CCCN1CCCC1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000632009684 440038138 /nfs/dbraw/zinc/03/81/38/440038138.db2.gz BVWCTVSOUMRBAX-MRXNPFEDSA-N 1 3 347.525 0.629 20 0 ECADHO CN(C)CCCS(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000631945324 440002122 /nfs/dbraw/zinc/00/21/22/440002122.db2.gz VQGBMEXJKKTTLM-DZGCQCFKSA-N 1 3 329.441 0.834 20 0 ECADHO O=S(=O)(CCCN1CCCC1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000632009684 440038149 /nfs/dbraw/zinc/03/81/49/440038149.db2.gz BVWCTVSOUMRBAX-MRXNPFEDSA-N 1 3 347.525 0.629 20 0 ECADHO O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014368 439988773 /nfs/dbraw/zinc/98/87/73/439988773.db2.gz LMTFKJUDROUDIF-CABCVRRESA-N 1 3 346.479 0.667 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919588 440065608 /nfs/dbraw/zinc/06/56/08/440065608.db2.gz AJICZTOYTSNEFV-KRWDZBQOSA-N 1 3 344.459 0.588 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653113747 440067502 /nfs/dbraw/zinc/06/75/02/440067502.db2.gz NECVQIPTTOVUIT-MRXNPFEDSA-N 1 3 346.475 0.984 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000642979730 440072996 /nfs/dbraw/zinc/07/29/96/440072996.db2.gz JLOSFDCNJJUZRG-INIZCTEOSA-N 1 3 344.459 0.717 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653122041 440075484 /nfs/dbraw/zinc/07/54/84/440075484.db2.gz JPHANCUSHKRQEQ-SCTDSRPQSA-N 1 3 329.444 0.955 20 0 ECADHO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000642982570 440075898 /nfs/dbraw/zinc/07/58/98/440075898.db2.gz XLNMLPBOHKLEDO-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663510692 440089003 /nfs/dbraw/zinc/08/90/03/440089003.db2.gz HDROEUTXBVZUOE-RVKKMQEKSA-N 1 3 330.480 0.608 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C[C@H]3CSCCN3)C2)C1 ZINC000653183789 440090302 /nfs/dbraw/zinc/09/03/02/440090302.db2.gz JQAMJDLJSOTLIA-KBXIAJHMSA-N 1 3 327.494 0.826 20 0 ECADHO CCN1CCN(C[C@@H](C)CNS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632030895 440047561 /nfs/dbraw/zinc/04/75/61/440047561.db2.gz BBUWVRUDALOXGJ-HNNXBMFYSA-N 1 3 334.530 0.131 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000642808204 440048715 /nfs/dbraw/zinc/04/87/15/440048715.db2.gz IEIOPOZRLFEVEU-CZUORRHYSA-N 1 3 332.448 0.477 20 0 ECADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000642903053 440054288 /nfs/dbraw/zinc/05/42/88/440054288.db2.gz AHRUUCNOSSVPPH-HZPDHXFCSA-N 1 3 336.480 0.722 20 0 ECADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642908584 440058100 /nfs/dbraw/zinc/05/81/00/440058100.db2.gz WYLIYEATSXKWMO-CYBMUJFWSA-N 1 3 340.493 0.882 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000663615367 440119327 /nfs/dbraw/zinc/11/93/27/440119327.db2.gz ILIWOFRZIDOKTL-KRWDZBQOSA-N 1 3 334.420 0.434 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663616156 440121307 /nfs/dbraw/zinc/12/13/07/440121307.db2.gz QLGBOQNPFQQNQU-KRWDZBQOSA-N 1 3 334.420 0.564 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000647595565 440097523 /nfs/dbraw/zinc/09/75/23/440097523.db2.gz QJJYVCAZORNGCF-STQMWFEESA-N 1 3 342.484 0.234 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636931802 440097947 /nfs/dbraw/zinc/09/79/47/440097947.db2.gz LUFDGWOKPZPWIE-ZBFHGGJFSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000627293698 440100874 /nfs/dbraw/zinc/10/08/74/440100874.db2.gz ZUDFUTMLJILVQT-IXDOHACOSA-N 1 3 346.475 0.532 20 0 ECADHO C[C@H]([NH3+])[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CCO1 ZINC000647865367 440173829 /nfs/dbraw/zinc/17/38/29/440173829.db2.gz HNXXZTDYHUONTG-BHYGNILZSA-N 1 3 334.464 0.454 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000643478834 440178640 /nfs/dbraw/zinc/17/86/40/440178640.db2.gz LQAVRKCZFTWKPQ-GDBMZVCRSA-N 1 3 345.447 0.316 20 0 ECADHO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000643494587 440185641 /nfs/dbraw/zinc/18/56/41/440185641.db2.gz BTNUYIAUEULJOA-BRWVUGGUSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000643500368 440189595 /nfs/dbraw/zinc/18/95/95/440189595.db2.gz LKUUVVLCSIYMKW-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000643513400 440193524 /nfs/dbraw/zinc/19/35/24/440193524.db2.gz OGKDVSCIUXGOMO-INIZCTEOSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000643516680 440194138 /nfs/dbraw/zinc/19/41/38/440194138.db2.gz JELJCXMFVNVDJZ-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1N(C)C ZINC000643520854 440197285 /nfs/dbraw/zinc/19/72/85/440197285.db2.gz ZSOIVXGRRMWLIT-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000637052204 440147521 /nfs/dbraw/zinc/14/75/21/440147521.db2.gz VYIMXIMSHUQGLA-KBAYOESNSA-N 1 3 346.475 0.873 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000637052204 440147525 /nfs/dbraw/zinc/14/75/25/440147525.db2.gz VYIMXIMSHUQGLA-KBAYOESNSA-N 1 3 346.475 0.873 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653398281 440152427 /nfs/dbraw/zinc/15/24/27/440152427.db2.gz LBJBRDFWQYGGLP-MRXNPFEDSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000647995089 440208660 /nfs/dbraw/zinc/20/86/60/440208660.db2.gz VYHJOUXBCXKGSP-SUJAAXHWSA-N 1 3 326.485 0.669 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000627445862 440210552 /nfs/dbraw/zinc/21/05/52/440210552.db2.gz AFCPIGIXOUCKEO-JKSUJKDBSA-N 1 3 348.491 0.864 20 0 ECADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000643593615 440217629 /nfs/dbraw/zinc/21/76/29/440217629.db2.gz AIHKUJDHNMIERO-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CCCNC(=O)CN(C)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976745 440204688 /nfs/dbraw/zinc/20/46/88/440204688.db2.gz SYRDIHAZKZIRNJ-HOTGVXAUSA-N 1 3 338.496 0.683 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627444117 440207879 /nfs/dbraw/zinc/20/78/79/440207879.db2.gz APYNLDDJAAEFTC-CQSZACIVSA-N 1 3 336.480 0.720 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664183152 440252137 /nfs/dbraw/zinc/25/21/37/440252137.db2.gz RZBSJFPWOFGDCU-NVXWUHKLSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664183152 440252142 /nfs/dbraw/zinc/25/21/42/440252142.db2.gz RZBSJFPWOFGDCU-NVXWUHKLSA-N 1 3 336.480 0.711 20 0 ECADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000648177521 440252698 /nfs/dbraw/zinc/25/26/98/440252698.db2.gz FTVFPVMAAMIMRL-MCIONIFRSA-N 1 3 331.407 0.976 20 0 ECADHO Cc1ccc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000659318601 440298397 /nfs/dbraw/zinc/29/83/97/440298397.db2.gz KJFSXFYFQSKNCY-UHFFFAOYSA-N 1 3 338.452 0.498 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664409083 440305741 /nfs/dbraw/zinc/30/57/41/440305741.db2.gz SOMOFPSWDULHDA-KBRIMQKVSA-N 1 3 336.480 0.710 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664409083 440305746 /nfs/dbraw/zinc/30/57/46/440305746.db2.gz SOMOFPSWDULHDA-KBRIMQKVSA-N 1 3 336.480 0.710 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000659523089 440352633 /nfs/dbraw/zinc/35/26/33/440352633.db2.gz IAWLWVKCYRUEJW-AWEZNQCLSA-N 1 3 349.479 0.868 20 0 ECADHO COC[C@]1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000659543434 440358675 /nfs/dbraw/zinc/35/86/75/440358675.db2.gz VWVLRUBLLCTHQB-NVXWUHKLSA-N 1 3 340.468 0.308 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659580187 440368821 /nfs/dbraw/zinc/36/88/21/440368821.db2.gz YLOLOBGKAZAOKO-JFIYKMOQSA-N 1 3 332.448 0.498 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659460514 440330640 /nfs/dbraw/zinc/33/06/40/440330640.db2.gz QCTANIPPRFCOQL-OAHLLOKOSA-N 1 3 325.501 0.831 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000659679410 440415225 /nfs/dbraw/zinc/41/52/25/440415225.db2.gz WOZSSWRHJNABPO-KRWDZBQOSA-N 1 3 346.475 0.822 20 0 ECADHO CC[C@H](CNC(=O)CN1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000638070145 440423553 /nfs/dbraw/zinc/42/35/53/440423553.db2.gz VGDFRNRQJPHQFY-GOSISDBHSA-N 1 3 330.476 0.845 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000659689074 440424216 /nfs/dbraw/zinc/42/42/16/440424216.db2.gz RHANQRZXXXLQSM-PMPSAXMXSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000659689074 440424219 /nfs/dbraw/zinc/42/42/19/440424219.db2.gz RHANQRZXXXLQSM-PMPSAXMXSA-N 1 3 338.496 0.809 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659688916 440424252 /nfs/dbraw/zinc/42/42/52/440424252.db2.gz OHBYEUTXZBKLRU-CSLYMUCUSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000659628411 440381816 /nfs/dbraw/zinc/38/18/16/440381816.db2.gz CFIXNMOHHVTNGP-ZDUSSCGKSA-N 1 3 348.451 0.562 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000649072815 440384592 /nfs/dbraw/zinc/38/45/92/440384592.db2.gz JHVBJOFBVXXENJ-HOCLYGCPSA-N 1 3 336.480 0.972 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000649072815 440384598 /nfs/dbraw/zinc/38/45/98/440384598.db2.gz JHVBJOFBVXXENJ-HOCLYGCPSA-N 1 3 336.480 0.972 20 0 ECADHO CO[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)C1CCOCC1 ZINC000637981530 440386109 /nfs/dbraw/zinc/38/61/09/440386109.db2.gz HTKUUXMLFMFPRL-QGZVFWFLSA-N 1 3 341.496 0.818 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1C ZINC000659632331 440387641 /nfs/dbraw/zinc/38/76/41/440387641.db2.gz VSZORUCHLNPEPH-AAEUAGOBSA-N 1 3 336.440 0.655 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1C ZINC000659632331 440387643 /nfs/dbraw/zinc/38/76/43/440387643.db2.gz VSZORUCHLNPEPH-AAEUAGOBSA-N 1 3 336.440 0.655 20 0 ECADHO C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)[C@H](c2ccccc2)C1 ZINC000649103031 440395146 /nfs/dbraw/zinc/39/51/46/440395146.db2.gz VFIKFPGPZLGIDZ-CEXWTWQISA-N 1 3 342.487 0.838 20 0 ECADHO C[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)[C@H](c2ccccc2)C1 ZINC000649103031 440395152 /nfs/dbraw/zinc/39/51/52/440395152.db2.gz VFIKFPGPZLGIDZ-CEXWTWQISA-N 1 3 342.487 0.838 20 0 ECADHO CCN1CCN(CCCCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638138051 440461467 /nfs/dbraw/zinc/46/14/67/440461467.db2.gz UNBVZXYSGQLBNQ-QGZVFWFLSA-N 1 3 326.485 0.276 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141169 440464992 /nfs/dbraw/zinc/46/49/92/440464992.db2.gz DIYMOVREMFLVOP-QGZVFWFLSA-N 1 3 341.496 0.962 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000659726940 440465021 /nfs/dbraw/zinc/46/50/21/440465021.db2.gz NERGLHOHVAEENR-QXSJWSMHSA-N 1 3 336.480 0.705 20 0 ECADHO [NH3+]C1(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCCC1 ZINC000659733637 440470105 /nfs/dbraw/zinc/47/01/05/440470105.db2.gz VTUHREOZJWQQLY-UHFFFAOYSA-N 1 3 336.480 0.851 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)COC2(C)CNC2)[C@@H](C)C1 ZINC000649334453 440470432 /nfs/dbraw/zinc/47/04/32/440470432.db2.gz JILNSRKGLIGOSV-LSDHHAIUSA-N 1 3 327.469 0.618 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)COC2(C)CNC2)[C@@H](C)C1 ZINC000649334453 440470438 /nfs/dbraw/zinc/47/04/38/440470438.db2.gz JILNSRKGLIGOSV-LSDHHAIUSA-N 1 3 327.469 0.618 20 0 ECADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000633083959 440435377 /nfs/dbraw/zinc/43/53/77/440435377.db2.gz XMJCHASCUDFTEF-GASCZTMLSA-N 1 3 348.447 0.441 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000659706703 440440842 /nfs/dbraw/zinc/44/08/42/440440842.db2.gz AMRVYJOPJSLJOR-KRWDZBQOSA-N 1 3 346.475 0.820 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000654932535 440441334 /nfs/dbraw/zinc/44/13/34/440441334.db2.gz ACQSIRYWNQYFBI-BHYGNILZSA-N 1 3 349.479 0.768 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000665292302 440443889 /nfs/dbraw/zinc/44/38/89/440443889.db2.gz YMAUFNRHTGDNTI-UKRRQHHQSA-N 1 3 337.468 0.868 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000665292302 440443897 /nfs/dbraw/zinc/44/38/97/440443897.db2.gz YMAUFNRHTGDNTI-UKRRQHHQSA-N 1 3 337.468 0.868 20 0 ECADHO CN(CCCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccco1 ZINC000633113349 440451529 /nfs/dbraw/zinc/45/15/29/440451529.db2.gz FMKHXKNJIFUCDZ-GASCZTMLSA-N 1 3 348.447 0.523 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659721466 440457705 /nfs/dbraw/zinc/45/77/05/440457705.db2.gz GLZCYMBCYYOUIX-MRXNPFEDSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CC[NH2+]1 ZINC000659723931 440460793 /nfs/dbraw/zinc/46/07/93/440460793.db2.gz UPLVMIIQAZQDAE-KFWWJZLASA-N 1 3 336.480 0.766 20 0 ECADHO COC[C@@]1(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCCCN1 ZINC000638262425 440489625 /nfs/dbraw/zinc/48/96/25/440489625.db2.gz OEVUEYBELJNLGA-WMLDXEAASA-N 1 3 325.453 0.359 20 0 ECADHO COC[C@]1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CCCCN1 ZINC000638259063 440490494 /nfs/dbraw/zinc/49/04/94/440490494.db2.gz BABODHFPTKQDNB-VYDXJSESSA-N 1 3 325.453 0.500 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000665760628 440523517 /nfs/dbraw/zinc/52/35/17/440523517.db2.gz LYUGJNBLPSVXTA-NWDGAFQWSA-N 1 3 342.406 0.823 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000665760628 440523522 /nfs/dbraw/zinc/52/35/22/440523522.db2.gz LYUGJNBLPSVXTA-NWDGAFQWSA-N 1 3 342.406 0.823 20 0 ECADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638375113 440524045 /nfs/dbraw/zinc/52/40/45/440524045.db2.gz DQFLPBSBWMHSQL-OAHLLOKOSA-N 1 3 327.469 0.762 20 0 ECADHO CCc1nc([C@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n[nH]1 ZINC000665760331 440525132 /nfs/dbraw/zinc/52/51/32/440525132.db2.gz GJKLGEZTMCGGGL-STQMWFEESA-N 1 3 339.488 0.999 20 0 ECADHO COCC[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762493 440527606 /nfs/dbraw/zinc/52/76/06/440527606.db2.gz GHTOVLIUGYPSEM-JKSUJKDBSA-N 1 3 344.500 0.705 20 0 ECADHO COCC[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762493 440527612 /nfs/dbraw/zinc/52/76/12/440527612.db2.gz GHTOVLIUGYPSEM-JKSUJKDBSA-N 1 3 344.500 0.705 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000665764188 440528748 /nfs/dbraw/zinc/52/87/48/440528748.db2.gz XMLLHXMJWYIODL-HOTGVXAUSA-N 1 3 327.517 0.994 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)c1ccnn1C ZINC000665764178 440529443 /nfs/dbraw/zinc/52/94/43/440529443.db2.gz XHFLKFHCTYCUPD-KBPBESRZSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)c1ccnn1C ZINC000665764178 440529449 /nfs/dbraw/zinc/52/94/49/440529449.db2.gz XHFLKFHCTYCUPD-KBPBESRZSA-N 1 3 340.472 0.025 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000665764199 440531409 /nfs/dbraw/zinc/53/14/09/440531409.db2.gz XXDWEFOYEWGWLW-HRCADAONSA-N 1 3 325.501 0.604 20 0 ECADHO C[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)C1CC[NH+](C)CC1 ZINC000655576984 440593475 /nfs/dbraw/zinc/59/34/75/440593475.db2.gz SUEYRWGSALEWQC-HOCLYGCPSA-N 1 3 326.485 0.863 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000638725610 440607872 /nfs/dbraw/zinc/60/78/72/440607872.db2.gz CFPOTMBIUSGOFK-LSDHHAIUSA-N 1 3 325.453 0.454 20 0 ECADHO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@]2(C)CNCCO2)CC1 ZINC000638730417 440608311 /nfs/dbraw/zinc/60/83/11/440608311.db2.gz ZBCZMOMGNWSEEB-MRXNPFEDSA-N 1 3 325.453 0.468 20 0 ECADHO CS(=O)(=O)N1CCC[C@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655702956 440620749 /nfs/dbraw/zinc/62/07/49/440620749.db2.gz HHPLPJWFFRJLEP-HOTGVXAUSA-N 1 3 345.509 0.643 20 0 ECADHO NCc1ccc2c(c1)N(C(=O)c1cc([C@H]3CC[NH2+]C3)[nH]n1)CCO2 ZINC000638806871 440627884 /nfs/dbraw/zinc/62/78/84/440627884.db2.gz YCDFQYSOGKQOSU-LBPRGKRZSA-N 1 3 327.388 0.985 20 0 ECADHO CCN1CCN(CCC(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000638843370 440632448 /nfs/dbraw/zinc/63/24/48/440632448.db2.gz GCOKXRFQNSSDPH-UHFFFAOYSA-N 1 3 330.476 0.976 20 0 ECADHO CC[C@@H](C(=O)N1CC2CN(C(=O)[C@H](CC)[NH+](C)C)CC2C1)N(C)C ZINC000650400161 440634645 /nfs/dbraw/zinc/63/46/45/440634645.db2.gz QFDJIJCWFQCDKT-CKUJCDMFSA-N 1 3 338.496 0.584 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)NC[C@H]2CCCN2CCCO)cn1 ZINC000650470544 440647787 /nfs/dbraw/zinc/64/77/87/440647787.db2.gz MUKJEKQNKCHIOZ-OAHLLOKOSA-N 1 3 338.456 0.413 20 0 ECADHO COCCOC[C@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000644577200 440648661 /nfs/dbraw/zinc/64/86/61/440648661.db2.gz AOHNMFALXQGAJZ-QGZVFWFLSA-N 1 3 343.512 0.550 20 0 ECADHO C[C@H]1NC(=O)CC[C@H]1NCC1(C[NH2+][C@H]2CCC(=O)N[C@H]2C)CCC1 ZINC000660477049 440663741 /nfs/dbraw/zinc/66/37/41/440663741.db2.gz ILAFVZUICZCQOR-NMWPEEMBSA-N 1 3 336.480 0.670 20 0 ECADHO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1(CN[C@H]2CCC(=O)N[C@H]2C)CCC1 ZINC000660477049 440663750 /nfs/dbraw/zinc/66/37/50/440663750.db2.gz ILAFVZUICZCQOR-NMWPEEMBSA-N 1 3 336.480 0.670 20 0 ECADHO [NH3+]CCC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028036 440697334 /nfs/dbraw/zinc/69/73/34/440697334.db2.gz HNJKDBLDLBGAGS-JKSUJKDBSA-N 1 3 336.480 0.707 20 0 ECADHO O[C@@H](CNC[C@]1(O)CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634718441 440698988 /nfs/dbraw/zinc/69/89/88/440698988.db2.gz BZOZLGJKUOOZGD-RBUKOAKNSA-N 1 3 333.476 0.670 20 0 ECADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660704756 440712368 /nfs/dbraw/zinc/71/23/68/440712368.db2.gz OYYIDODPBVWBOZ-HOTGVXAUSA-N 1 3 340.468 0.260 20 0 ECADHO C[NH2+]CCOCCN[C@@H](C)Cn1cc(Br)ccc1=O ZINC000629531080 440717914 /nfs/dbraw/zinc/71/79/14/440717914.db2.gz ZQMXYPGBQSQCPS-NSHDSACASA-N 1 3 332.242 0.825 20 0 ECADHO C[NH2+]CCOCCN[C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000629531002 440718463 /nfs/dbraw/zinc/71/84/63/440718463.db2.gz XETNMUZZYWGOOL-ZDUSSCGKSA-N 1 3 329.466 0.837 20 0 ECADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634997561 440732603 /nfs/dbraw/zinc/73/26/03/440732603.db2.gz NXLRDFUYMFNBNP-SWKXRBFHSA-N 1 3 330.480 0.751 20 0 ECADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000667055264 440734580 /nfs/dbraw/zinc/73/45/80/440734580.db2.gz BEJHBFWIUXXBAW-UHFFFAOYSA-N 1 3 349.479 0.296 20 0 ECADHO C[N@H+](C[C@@H](O)CNCC1(OCCO)CCC(F)(F)CC1)C1CC1 ZINC000629590669 440742338 /nfs/dbraw/zinc/74/23/38/440742338.db2.gz DXDZNFXOWNVZLK-AWEZNQCLSA-N 1 3 336.423 0.988 20 0 ECADHO C[N@@H+](C[C@@H](O)CNCC1(OCCO)CCC(F)(F)CC1)C1CC1 ZINC000629590669 440742348 /nfs/dbraw/zinc/74/23/48/440742348.db2.gz DXDZNFXOWNVZLK-AWEZNQCLSA-N 1 3 336.423 0.988 20 0 ECADHO CCN(CCN)C(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000629788642 440762206 /nfs/dbraw/zinc/76/22/06/440762206.db2.gz JJQRGLZLLRMFDH-UHFFFAOYSA-N 1 3 338.496 0.908 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C2 ZINC000629794310 440762683 /nfs/dbraw/zinc/76/26/83/440762683.db2.gz ROAGPOHOMGHAQU-LZQZEXGQSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC[N@@H+]1C ZINC000656317384 440765046 /nfs/dbraw/zinc/76/50/46/440765046.db2.gz XARHZIPDKBUEDX-WCVJEAGWSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC[N@H+]1C ZINC000656317384 440765052 /nfs/dbraw/zinc/76/50/52/440765052.db2.gz XARHZIPDKBUEDX-WCVJEAGWSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[N@@H+]1C ZINC000656317379 440765488 /nfs/dbraw/zinc/76/54/88/440765488.db2.gz XARHZIPDKBUEDX-KLHDSHLOSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[N@H+]1C ZINC000656317379 440765490 /nfs/dbraw/zinc/76/54/90/440765490.db2.gz XARHZIPDKBUEDX-KLHDSHLOSA-N 1 3 336.480 0.718 20 0 ECADHO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCN(c2ccncc2)CC1 ZINC000645220889 440766513 /nfs/dbraw/zinc/76/65/13/440766513.db2.gz AHRGEOFXFXJZDS-UHFFFAOYSA-N 1 3 341.419 0.560 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCC1 ZINC000656327210 440770126 /nfs/dbraw/zinc/77/01/26/440770126.db2.gz COYBYYPEIOIQLK-CABCVRRESA-N 1 3 336.480 0.720 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1 ZINC000645263181 440774045 /nfs/dbraw/zinc/77/40/45/440774045.db2.gz SIXCWMKATNKLBG-CQSZACIVSA-N 1 3 339.484 0.480 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656336463 440774375 /nfs/dbraw/zinc/77/43/75/440774375.db2.gz FGYNPLVLTXQZQD-OWCLPIDISA-N 1 3 338.496 0.966 20 0 ECADHO O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H]1C[NH2+]CCO1 ZINC000656612207 440827084 /nfs/dbraw/zinc/82/70/84/440827084.db2.gz RXVAPPQZVMFFPD-MAUKXSAKSA-N 1 3 344.415 0.171 20 0 ECADHO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@H](N2CCCC2)C1 ZINC000645635258 440877233 /nfs/dbraw/zinc/87/72/33/440877233.db2.gz MQKXUIKNIKJGQQ-CABCVRRESA-N 1 3 332.452 0.731 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)C1 ZINC000646003000 440966996 /nfs/dbraw/zinc/96/69/96/440966996.db2.gz MYZNJZLDGHFCGG-GJZGRUSLSA-N 1 3 346.479 0.339 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000630890015 440976097 /nfs/dbraw/zinc/97/60/97/440976097.db2.gz QEABSVREHRMXLM-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000630890015 440976100 /nfs/dbraw/zinc/97/61/00/440976100.db2.gz QEABSVREHRMXLM-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646105991 440994998 /nfs/dbraw/zinc/99/49/98/440994998.db2.gz OFSQLXANJFAQGW-SJORKVTESA-N 1 3 344.459 0.588 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652125368 441016597 /nfs/dbraw/zinc/01/65/97/441016597.db2.gz PWXFXYIAPFUXGO-YJBOKZPZSA-N 1 3 337.512 0.783 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000662463034 441047976 /nfs/dbraw/zinc/04/79/76/441047976.db2.gz SUSSZLRAWMMVGY-HUUCEWRRSA-N 1 3 346.479 0.339 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCn2nc3ccccn3c2=O)C1 ZINC000652362122 441060474 /nfs/dbraw/zinc/06/04/74/441060474.db2.gz YKAGBIMVIUDHBD-OWCLPIDISA-N 1 3 345.447 0.857 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000662630958 441078771 /nfs/dbraw/zinc/07/87/71/441078771.db2.gz JHXDATGOCHYVDE-IIDMSEBBSA-N 1 3 340.512 0.519 20 0 ECADHO COC[C@H]([NH3+])Cc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641228476 441081414 /nfs/dbraw/zinc/08/14/14/441081414.db2.gz ALPWWRDGHKQMST-SJLPKXTDSA-N 1 3 345.447 0.431 20 0 ECADHO CN1CCN(C(=O)CC[NH+]2CCC(n3ncc4c3CNC4)CC2)CC1 ZINC000333362416 320916819 /nfs/dbraw/zinc/91/68/19/320916819.db2.gz DDHCJYRTGZKXTJ-UHFFFAOYSA-N 1 3 346.479 0.287 20 0 ECADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340203004 321020658 /nfs/dbraw/zinc/02/06/58/321020658.db2.gz FMMHWSNRIJQLSY-UHFFFAOYSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000340219100 321024349 /nfs/dbraw/zinc/02/43/49/321024349.db2.gz GYCWKAGGOFIGIY-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000340219100 321024350 /nfs/dbraw/zinc/02/43/50/321024350.db2.gz GYCWKAGGOFIGIY-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000340264979 321032831 /nfs/dbraw/zinc/03/28/31/321032831.db2.gz UXSHIBJZGBOHSE-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO CCCCNC(=O)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000341461781 321059144 /nfs/dbraw/zinc/05/91/44/321059144.db2.gz GULUBOFJSNMQTM-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000342034675 321073019 /nfs/dbraw/zinc/07/30/19/321073019.db2.gz JUGDQKLYEXFDAR-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000342034675 321073020 /nfs/dbraw/zinc/07/30/20/321073020.db2.gz JUGDQKLYEXFDAR-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000342366549 321086909 /nfs/dbraw/zinc/08/69/09/321086909.db2.gz QQHXKQGUUDAQBJ-RHSMWYFYSA-N 1 3 338.496 0.957 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000342366549 321086910 /nfs/dbraw/zinc/08/69/10/321086910.db2.gz QQHXKQGUUDAQBJ-RHSMWYFYSA-N 1 3 338.496 0.957 20 0 ECADHO CN(C)C1CN(c2nc(NC(C)(C)C)nc(N3CC([NH+](C)C)C3)n2)C1 ZINC000342725164 321101907 /nfs/dbraw/zinc/10/19/07/321101907.db2.gz DJSRSHUCRGSOOT-UHFFFAOYSA-N 1 3 348.499 0.582 20 0 ECADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N(C)CCN(C)C)([NH+](C)C)C1 ZINC000343004717 321115840 /nfs/dbraw/zinc/11/58/40/321115840.db2.gz XLFWVZIYVJFOPK-PBHICJAKSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000343159073 321125916 /nfs/dbraw/zinc/12/59/16/321125916.db2.gz VCKHHQOLQXIGNA-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000343159073 321125918 /nfs/dbraw/zinc/12/59/18/321125918.db2.gz VCKHHQOLQXIGNA-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CS[C@@H]1CN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC000343634046 321140259 /nfs/dbraw/zinc/14/02/59/321140259.db2.gz FTFORBZNBXLVIN-AALSBFMBSA-N 1 3 331.526 0.434 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)[C@@H](C)C1 ZINC000347960967 321259492 /nfs/dbraw/zinc/25/94/92/321259492.db2.gz CLSJFOWJYKAUIE-JONQDZQNSA-N 1 3 338.496 0.774 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)[C@@H](C)C1 ZINC000347960967 321259493 /nfs/dbraw/zinc/25/94/93/321259493.db2.gz CLSJFOWJYKAUIE-JONQDZQNSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CCN1C ZINC000347962631 321259991 /nfs/dbraw/zinc/25/99/91/321259991.db2.gz AMEMTMLJEAZFLI-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO Cn1cnc2c1c(=O)n(CCCN1CCCC[C@H]1CC[NH3+])c(=O)n2C ZINC000352509504 321362663 /nfs/dbraw/zinc/36/26/63/321362663.db2.gz KZEMHZOJJDWTTD-ZDUSSCGKSA-N 1 3 348.451 0.027 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000352780105 321371823 /nfs/dbraw/zinc/37/18/23/321371823.db2.gz RTQBSSONIDJJMB-CQSZACIVSA-N 1 3 349.479 0.727 20 0 ECADHO CN1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@@H]2CCC[C@@H]21 ZINC000353526996 321398068 /nfs/dbraw/zinc/39/80/68/321398068.db2.gz CACXAVROTAWTFJ-FHWLQOOXSA-N 1 3 338.540 0.839 20 0 ECADHO CN(C)CCOc1cc(C(=O)NCCNc2cc[nH+]cc2)ccn1 ZINC000358433393 321560785 /nfs/dbraw/zinc/56/07/85/321560785.db2.gz MNYACLBWAQFBQT-UHFFFAOYSA-N 1 3 329.404 0.681 20 0 ECADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000359334669 321594660 /nfs/dbraw/zinc/59/46/60/321594660.db2.gz WKSURXRWDKOCBQ-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000368009154 321710778 /nfs/dbraw/zinc/71/07/78/321710778.db2.gz WQWXDKQJMSESTE-PMPSAXMXSA-N 1 3 349.431 0.537 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3cncnc3)CC2)CC1 ZINC000527723500 322014541 /nfs/dbraw/zinc/01/45/41/322014541.db2.gz BGHSWSWEVJFCQL-UHFFFAOYSA-N 1 3 346.479 0.877 20 0 ECADHO Cc1nn(C)c2ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc12 ZINC000531357641 322039036 /nfs/dbraw/zinc/03/90/36/322039036.db2.gz NGKCWKGHIGRFJR-UHFFFAOYSA-N 1 3 332.452 0.842 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCN(C)C3=O)CC2)CC1 ZINC000557670372 322208211 /nfs/dbraw/zinc/20/82/11/322208211.db2.gz VKABDTVZWCDYKP-MRXNPFEDSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3C[NH2+]CCO3)c2)CC1 ZINC000561009261 322252302 /nfs/dbraw/zinc/25/23/02/322252302.db2.gz KXYWQPULTBLYOW-KRWDZBQOSA-N 1 3 347.463 0.938 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000561152526 322254639 /nfs/dbraw/zinc/25/46/39/322254639.db2.gz IRNIIYIVMCRDHQ-VXGBXAGGSA-N 1 3 337.390 0.216 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000561199089 322256097 /nfs/dbraw/zinc/25/60/97/322256097.db2.gz MCIWLOAULBWUNT-HOTGVXAUSA-N 1 3 337.512 0.796 20 0 ECADHO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000561267188 322258527 /nfs/dbraw/zinc/25/85/27/322258527.db2.gz XWPWLIRLKLFRBZ-MRXNPFEDSA-N 1 3 336.480 0.579 20 0 ECADHO COCC[C@@]1(NCC(=O)NC2CC[NH+](C3CC3)CC2)CCOC1 ZINC000562491812 322276332 /nfs/dbraw/zinc/27/63/32/322276332.db2.gz NKWNMLSDTZTWLK-QGZVFWFLSA-N 1 3 325.453 0.515 20 0 ECADHO CN(CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000563055033 322294896 /nfs/dbraw/zinc/29/48/96/322294896.db2.gz MIHBZPVRYMBMSJ-MRXNPFEDSA-N 1 3 342.447 0.892 20 0 ECADHO Cc1cc(C(=O)NC2CCN(CCN3CC[NH2+]CC3)CC2)c(C)o1 ZINC000563155359 322301836 /nfs/dbraw/zinc/30/18/36/322301836.db2.gz WRQCMGJIXPDOKH-UHFFFAOYSA-N 1 3 334.464 0.996 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000563946582 322354929 /nfs/dbraw/zinc/35/49/29/322354929.db2.gz AQHDEYGBIGMMOA-OAHLLOKOSA-N 1 3 338.496 0.953 20 0 ECADHO CN1CCN(C[C@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000564565269 322380153 /nfs/dbraw/zinc/38/01/53/322380153.db2.gz UHCAVAXGEMPCOD-HXUWFJFHSA-N 1 3 346.519 0.849 20 0 ECADHO CC[NH+]1CCC(NC[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000564844527 322398982 /nfs/dbraw/zinc/39/89/82/322398982.db2.gz ODJLAQSYHCDMLN-INIZCTEOSA-N 1 3 346.431 0.938 20 0 ECADHO N[C@@H]1CN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H]1c1cccc(F)c1 ZINC000571679341 322729927 /nfs/dbraw/zinc/72/99/27/322729927.db2.gz DKVFOKWOMWEFPN-KOSOZBLASA-N 1 3 345.418 0.894 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000577221780 322829078 /nfs/dbraw/zinc/82/90/78/322829078.db2.gz ZQTCHIRXEKLKEJ-UONOGXRCSA-N 1 3 342.484 0.234 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000577597298 322840137 /nfs/dbraw/zinc/84/01/37/322840137.db2.gz DBWDILDUFZEUNM-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000577946837 322850748 /nfs/dbraw/zinc/85/07/48/322850748.db2.gz XQLULLWDFQACRB-QFBILLFUSA-N 1 3 348.491 0.675 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)nn1 ZINC000324931498 546000486 /nfs/dbraw/zinc/00/04/86/546000486.db2.gz VLDMELXSNMVDJI-MRXNPFEDSA-N 1 3 328.420 0.804 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000342973698 546086751 /nfs/dbraw/zinc/08/67/51/546086751.db2.gz CIMIHNZZQXGCJZ-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000342981067 546088134 /nfs/dbraw/zinc/08/81/34/546088134.db2.gz ZPYIDENJBHJKCB-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415655033 546206781 /nfs/dbraw/zinc/20/67/81/546206781.db2.gz SLPQFMIHICXFIG-DZGCQCFKSA-N 1 3 348.447 0.952 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417749823 546210498 /nfs/dbraw/zinc/21/04/98/546210498.db2.gz JWGQMNQXUFBGND-PMPSAXMXSA-N 1 3 325.501 0.829 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621848618 546577305 /nfs/dbraw/zinc/57/73/05/546577305.db2.gz CRXFXVILAOTEQR-DAYGRLMNSA-N 1 3 336.480 0.563 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@H]1CCCN3CCCC[C@H]13)C2 ZINC000621849583 546578576 /nfs/dbraw/zinc/57/85/76/546578576.db2.gz YFVOUDJGLFVYOE-FSZRXZPDSA-N 1 3 334.464 0.459 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCCC[C@H](N3CCCC3)C1)C2 ZINC000622027036 546609520 /nfs/dbraw/zinc/60/95/20/546609520.db2.gz WUXIZCPHFRCTDT-GJYPPUQNSA-N 1 3 348.491 0.803 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000623712584 546826952 /nfs/dbraw/zinc/82/69/52/546826952.db2.gz HVAMEBWXDPXJEI-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000623712584 546826956 /nfs/dbraw/zinc/82/69/56/546826956.db2.gz HVAMEBWXDPXJEI-IRXDYDNUSA-N 1 3 339.528 0.901 20 0 ECADHO COc1ccc(C[NH+]2CCC(CNc3nc(N)nc(N)n3)CC2)cc1 ZINC000623903024 546854639 /nfs/dbraw/zinc/85/46/39/546854639.db2.gz XALRTAVWFHMVFZ-UHFFFAOYSA-N 1 3 343.435 0.451 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC000625028856 547008902 /nfs/dbraw/zinc/00/89/02/547008902.db2.gz ZKHARVVVVRROBJ-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC000625028856 547008906 /nfs/dbraw/zinc/00/89/06/547008906.db2.gz ZKHARVVVVRROBJ-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)[N@H+](C)C1CC1 ZINC000636663656 547389534 /nfs/dbraw/zinc/38/95/34/547389534.db2.gz WTOGGTSQTLAXGN-CZUORRHYSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)[N@@H+](C)C1CC1 ZINC000636663656 547389537 /nfs/dbraw/zinc/38/95/37/547389537.db2.gz WTOGGTSQTLAXGN-CZUORRHYSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CCN(C)C)CCO1 ZINC000667404121 547516593 /nfs/dbraw/zinc/51/65/93/547516593.db2.gz BIQNXYFPGXFLLP-BBRMVZONSA-N 1 3 348.447 0.304 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000667821334 547560032 /nfs/dbraw/zinc/56/00/32/547560032.db2.gz XCMMOFBSAPLSGB-CQSZACIVSA-N 1 3 347.467 0.882 20 0 ECADHO CN(CCN1CCCC1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000667820545 547560278 /nfs/dbraw/zinc/56/02/78/547560278.db2.gz GLOXXPNYHDBKTH-UHFFFAOYSA-N 1 3 333.440 0.446 20 0 ECADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000668329531 547620018 /nfs/dbraw/zinc/62/00/18/547620018.db2.gz ZLCBFRMTUINTCF-HNNXBMFYSA-N 1 3 326.485 0.681 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000668397683 547646049 /nfs/dbraw/zinc/64/60/49/547646049.db2.gz MGEGDRJTSBQFDA-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000668794868 547751174 /nfs/dbraw/zinc/75/11/74/547751174.db2.gz SIYVTSQDUSBVAX-LSDHHAIUSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000668794868 547751181 /nfs/dbraw/zinc/75/11/81/547751181.db2.gz SIYVTSQDUSBVAX-LSDHHAIUSA-N 1 3 338.496 0.822 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000669561140 547906727 /nfs/dbraw/zinc/90/67/27/547906727.db2.gz NXJZTCNFSHPART-HYVNUMGLSA-N 1 3 332.448 0.876 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000669573415 547907825 /nfs/dbraw/zinc/90/78/25/547907825.db2.gz HLKZBIBTMUOLIE-JKSUJKDBSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@H](c1ccccc1)N(C)C ZINC000669583507 547910053 /nfs/dbraw/zinc/91/00/53/547910053.db2.gz PVNNTBWHAMSRPZ-BHYGNILZSA-N 1 3 333.480 0.962 20 0 ECADHO CN1CCN(CCNC(=O)NCC2CC[NH+](C)CC2)CC1(C)C ZINC000669597767 547911081 /nfs/dbraw/zinc/91/10/81/547911081.db2.gz WJTHVRFHICZVPT-UHFFFAOYSA-N 1 3 325.501 0.653 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000671170019 548104015 /nfs/dbraw/zinc/10/40/15/548104015.db2.gz CYQNOXILTFLWGK-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000671376103 548131351 /nfs/dbraw/zinc/13/13/51/548131351.db2.gz ZQTYYDQAXHPLOF-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672013632 548255902 /nfs/dbraw/zinc/25/59/02/548255902.db2.gz FTDDDUVXYZMVRR-DZKIICNBSA-N 1 3 338.496 0.774 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672203754 548281719 /nfs/dbraw/zinc/28/17/19/548281719.db2.gz BJHYWHVEYDSBJG-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672203754 548281721 /nfs/dbraw/zinc/28/17/21/548281721.db2.gz BJHYWHVEYDSBJG-JKSUJKDBSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CN1C1CC1 ZINC000672310021 548306280 /nfs/dbraw/zinc/30/62/80/548306280.db2.gz CVHDCELRRAYEIM-VHDGCEQUSA-N 1 3 334.464 0.328 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CN1C1CC1 ZINC000672310021 548306284 /nfs/dbraw/zinc/30/62/84/548306284.db2.gz CVHDCELRRAYEIM-VHDGCEQUSA-N 1 3 334.464 0.328 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CN1C1CC1 ZINC000672310022 548306439 /nfs/dbraw/zinc/30/64/39/548306439.db2.gz CVHDCELRRAYEIM-YUELXQCFSA-N 1 3 334.464 0.328 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CN1C1CC1 ZINC000672310022 548306442 /nfs/dbraw/zinc/30/64/42/548306442.db2.gz CVHDCELRRAYEIM-YUELXQCFSA-N 1 3 334.464 0.328 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CN1C1CC1 ZINC000672310020 548306681 /nfs/dbraw/zinc/30/66/81/548306681.db2.gz CVHDCELRRAYEIM-SNPRPXQTSA-N 1 3 334.464 0.328 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CN1C1CC1 ZINC000672310020 548306684 /nfs/dbraw/zinc/30/66/84/548306684.db2.gz CVHDCELRRAYEIM-SNPRPXQTSA-N 1 3 334.464 0.328 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672310667 548307800 /nfs/dbraw/zinc/30/78/00/548307800.db2.gz CTBFKAHQHHFDPS-BMFZPTHFSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672310667 548307801 /nfs/dbraw/zinc/30/78/01/548307801.db2.gz CTBFKAHQHHFDPS-BMFZPTHFSA-N 1 3 336.480 0.386 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000676088619 548786279 /nfs/dbraw/zinc/78/62/79/548786279.db2.gz CQMQUDNRPWSHRV-CABCVRRESA-N 1 3 348.451 0.126 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000676088619 548786281 /nfs/dbraw/zinc/78/62/81/548786281.db2.gz CQMQUDNRPWSHRV-CABCVRRESA-N 1 3 348.451 0.126 20 0 ECADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000678577628 549037589 /nfs/dbraw/zinc/03/75/89/549037589.db2.gz HDAFOIFEAVXCTR-SFHVURJKSA-N 1 3 343.475 0.804 20 0 ECADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000795702184 578619155 /nfs/dbraw/zinc/61/91/55/578619155.db2.gz DOGXPJIVJRWUAC-GJZGRUSLSA-N 1 3 349.479 0.519 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000790273515 578871040 /nfs/dbraw/zinc/87/10/40/578871040.db2.gz NBRMSVBYGLITJM-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000790273515 578871041 /nfs/dbraw/zinc/87/10/41/578871041.db2.gz NBRMSVBYGLITJM-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793715121 578937087 /nfs/dbraw/zinc/93/70/87/578937087.db2.gz WUZGYQNXYDBVFT-HNNXBMFYSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=S)NC1CC[NH+](C)CC1 ZINC000769761447 579151280 /nfs/dbraw/zinc/15/12/80/579151280.db2.gz YXCLORYXLCHFGX-AWEZNQCLSA-N 1 3 327.542 0.571 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000841050625 588976677 /nfs/dbraw/zinc/97/66/77/588976677.db2.gz JJQFXGXMZLVPOT-CYBMUJFWSA-N 1 3 346.431 0.708 20 0 ECADHO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000841050625 588976679 /nfs/dbraw/zinc/97/66/79/588976679.db2.gz JJQFXGXMZLVPOT-CYBMUJFWSA-N 1 3 346.431 0.708 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841155969 588979935 /nfs/dbraw/zinc/97/99/35/588979935.db2.gz GUNWYTVIIWLHNQ-HNNXBMFYSA-N 1 3 345.447 0.245 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000842190403 589019354 /nfs/dbraw/zinc/01/93/54/589019354.db2.gz SAHOBAONYCVGKO-LPHOPBHVSA-N 1 3 344.459 0.493 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842218100 589021761 /nfs/dbraw/zinc/02/17/61/589021761.db2.gz HZTCHVROZOFNSJ-KBXCAEBGSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000842256113 589024983 /nfs/dbraw/zinc/02/49/83/589024983.db2.gz KMPPAICUKINEFX-QGZVFWFLSA-N 1 3 346.475 0.473 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842271748 589026025 /nfs/dbraw/zinc/02/60/25/589026025.db2.gz KXKINIITCXOZGJ-CQSZACIVSA-N 1 3 334.464 0.821 20 0 ECADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CNCCC1(F)F ZINC000892157528 586225109 /nfs/dbraw/zinc/22/51/09/586225109.db2.gz YAKGIGPQBMGYLC-VXGBXAGGSA-N 1 3 332.395 0.442 20 0 ECADHO C[NH+](C)CCOC1CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000896333941 586235004 /nfs/dbraw/zinc/23/50/04/586235004.db2.gz KRIRSBOYTRDVTJ-UHFFFAOYSA-N 1 3 339.480 0.666 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(C)nc1Br ZINC000896679236 586268046 /nfs/dbraw/zinc/26/80/46/586268046.db2.gz DQXQGGNUVNQXJR-UHFFFAOYSA-N 1 3 346.273 0.748 20 0 ECADHO CS[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1N(C)C ZINC000897237431 586290374 /nfs/dbraw/zinc/29/03/74/586290374.db2.gz INKBMVZTSXUYPW-LSDHHAIUSA-N 1 3 327.494 0.601 20 0 ECADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892788464 586291332 /nfs/dbraw/zinc/29/13/32/586291332.db2.gz COOKEFUUWOEZRY-DLBZAZTESA-N 1 3 346.475 0.845 20 0 ECADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892788464 586291334 /nfs/dbraw/zinc/29/13/34/586291334.db2.gz COOKEFUUWOEZRY-DLBZAZTESA-N 1 3 346.475 0.845 20 0 ECADHO C[C@@H]1CN(C(=O)NCCC(C)(C)[NH3+])CC[C@H]1N1CCN(C)CC1 ZINC000892854974 586296633 /nfs/dbraw/zinc/29/66/33/586296633.db2.gz VHEIBGRASABDNM-HUUCEWRRSA-N 1 3 325.501 0.781 20 0 ECADHO CN1CCC[N@H+](CCCNCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000894376728 586389563 /nfs/dbraw/zinc/38/95/63/586389563.db2.gz UYJKMYHIXKWUJS-UHFFFAOYSA-N 1 3 340.493 0.451 20 0 ECADHO CN1CCC[N@@H+](CCCNCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000894376728 586389566 /nfs/dbraw/zinc/38/95/66/586389566.db2.gz UYJKMYHIXKWUJS-UHFFFAOYSA-N 1 3 340.493 0.451 20 0 ECADHO C[NH+](C)CCOc1cc(-c2noc(C[C@H]3CNCCO3)n2)ccn1 ZINC000843191016 589053179 /nfs/dbraw/zinc/05/31/79/589053179.db2.gz AEMRGFRPLHJVOO-ZDUSSCGKSA-N 1 3 333.392 0.603 20 0 ECADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)C1 ZINC000900418672 586630662 /nfs/dbraw/zinc/63/06/62/586630662.db2.gz QEMMZILXWUHMIB-AEFFLSMTSA-N 1 3 339.480 0.547 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900585960 586647748 /nfs/dbraw/zinc/64/77/48/586647748.db2.gz FFRBAACXIQETAP-NVXWUHKLSA-N 1 3 327.469 0.402 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900585960 586647749 /nfs/dbraw/zinc/64/77/49/586647749.db2.gz FFRBAACXIQETAP-NVXWUHKLSA-N 1 3 327.469 0.402 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900585962 586647914 /nfs/dbraw/zinc/64/79/14/586647914.db2.gz FFRBAACXIQETAP-WBVHZDCISA-N 1 3 327.469 0.402 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900585962 586647916 /nfs/dbraw/zinc/64/79/16/586647916.db2.gz FFRBAACXIQETAP-WBVHZDCISA-N 1 3 327.469 0.402 20 0 ECADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000843265699 589058568 /nfs/dbraw/zinc/05/85/68/589058568.db2.gz UQYRJQMIPMXBCN-ZIAGYGMSSA-N 1 3 334.464 0.949 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000900688154 586656657 /nfs/dbraw/zinc/65/66/57/586656657.db2.gz ZPQBLCQGROWIGH-HNNXBMFYSA-N 1 3 338.496 0.239 20 0 ECADHO CN(C)CCn1nccc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000900946375 586676073 /nfs/dbraw/zinc/67/60/73/586676073.db2.gz QPNUVHGDJKAWOM-OAHLLOKOSA-N 1 3 325.482 0.612 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900926244 586676639 /nfs/dbraw/zinc/67/66/39/586676639.db2.gz PZRRIRNTZYSFCS-AEFFLSMTSA-N 1 3 341.496 0.793 20 0 ECADHO CN(CC(=O)NCc1ccc(OCC(N)=O)cc1)C1CCC([NH3+])CC1 ZINC000843355474 589063471 /nfs/dbraw/zinc/06/34/71/589063471.db2.gz RDFDUFBLOCGESO-UHFFFAOYSA-N 1 3 348.447 0.369 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N(C(C)C)C(C)C)C2 ZINC000903491161 586779363 /nfs/dbraw/zinc/77/93/63/586779363.db2.gz XWMIKQAIGLFAKT-VBQJREDUSA-N 1 3 325.453 0.844 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@H]1CCCS(=O)(=O)C1)C2 ZINC000903492613 586779560 /nfs/dbraw/zinc/77/95/60/586779560.db2.gz HPUWKUGIPSPARC-COMQUAJESA-N 1 3 330.450 0.024 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NCCC(C)(C)C)C2 ZINC000903492326 586779608 /nfs/dbraw/zinc/77/96/08/586779608.db2.gz MQFBEMDBSZSIRJ-AHIWAGSCSA-N 1 3 325.453 0.751 20 0 ECADHO CN(C)S(=O)(=O)CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510121 586780999 /nfs/dbraw/zinc/78/09/99/586780999.db2.gz PEWLDYWVMACLQK-IYBDPMFKSA-N 1 3 344.525 0.169 20 0 ECADHO CN(C)S(=O)(=O)CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510121 586781000 /nfs/dbraw/zinc/78/10/00/586781000.db2.gz PEWLDYWVMACLQK-IYBDPMFKSA-N 1 3 344.525 0.169 20 0 ECADHO CN(C)S(=O)(=O)CCCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510121 586781001 /nfs/dbraw/zinc/78/10/01/586781001.db2.gz PEWLDYWVMACLQK-IYBDPMFKSA-N 1 3 344.525 0.169 20 0 ECADHO C[C@H](C(=O)Nc1ncccn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509866 586781082 /nfs/dbraw/zinc/78/10/82/586781082.db2.gz CAMXVWOBNGLYER-BMFZPTHFSA-N 1 3 344.463 0.704 20 0 ECADHO C[C@H](C(=O)Nc1ncccn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509866 586781084 /nfs/dbraw/zinc/78/10/84/586781084.db2.gz CAMXVWOBNGLYER-BMFZPTHFSA-N 1 3 344.463 0.704 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)NCCN2CCC([NH3+])CC2)cc1 ZINC000903566045 586787115 /nfs/dbraw/zinc/78/71/15/586787115.db2.gz XYBRSXWWQUNMLY-UHFFFAOYSA-N 1 3 340.493 0.450 20 0 ECADHO CC(C)OCCOC[C@H](O)CN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726066 586802214 /nfs/dbraw/zinc/80/22/14/586802214.db2.gz JZZSSTBTXJGKMR-IKGGRYGDSA-N 1 3 330.469 0.489 20 0 ECADHO O=C(NC[C@@H]1CCCN(C[C@@H]2C[C@@H]3COC[C@H]3O2)C1)[C@H]1CCC[NH2+]1 ZINC000903740493 586806272 /nfs/dbraw/zinc/80/62/72/586806272.db2.gz HRMZWERIWMIMNR-DMRKSPOLSA-N 1 3 337.464 0.371 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCN2CCCS2(=O)=O)C1 ZINC000903767874 586810007 /nfs/dbraw/zinc/81/00/07/586810007.db2.gz ISLZARYBJZBSFA-RBSFLKMASA-N 1 3 331.482 0.383 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCN1c1ccncc1 ZINC000903777468 586814248 /nfs/dbraw/zinc/81/42/48/586814248.db2.gz YAGKGKVOBFBXDM-UKRRQHHQSA-N 1 3 345.447 0.314 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCNC[C@@H]1c1cccnc1 ZINC000903905271 586824801 /nfs/dbraw/zinc/82/48/01/586824801.db2.gz BYMPZCARNHUEEQ-NVXWUHKLSA-N 1 3 327.436 0.744 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCNC[C@@H]2c2ccncc2)cnn1C ZINC000903918257 586827697 /nfs/dbraw/zinc/82/76/97/586827697.db2.gz VUNNNILYVXAVCD-CRAIPNDOSA-N 1 3 328.464 0.887 20 0 ECADHO CN1CCN(c2ncc(C[NH2+][C@@H]3Cc4ccccc4[C@H]3N)cn2)CC1 ZINC000904462893 586837536 /nfs/dbraw/zinc/83/75/36/586837536.db2.gz ZNQFNJXSMITLAM-QZTJIDSGSA-N 1 3 338.459 0.943 20 0 ECADHO NCc1nnc(-c2ccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)[nH]1 ZINC000843471618 589069545 /nfs/dbraw/zinc/06/95/45/589069545.db2.gz WTGSAMXCKXPHOO-CYBMUJFWSA-N 1 3 330.392 0.638 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000904971801 586851463 /nfs/dbraw/zinc/85/14/63/586851463.db2.gz JKZFNNMYWLUHFA-QAPCUYQASA-N 1 3 336.480 0.661 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@@]43CN)CC[C@H]21 ZINC000904970820 586851540 /nfs/dbraw/zinc/85/15/40/586851540.db2.gz HYCYYNMQUWAZJP-ATNYBXOESA-N 1 3 334.464 0.269 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@@]43CN)CC[C@H]21 ZINC000904970820 586851542 /nfs/dbraw/zinc/85/15/42/586851542.db2.gz HYCYYNMQUWAZJP-ATNYBXOESA-N 1 3 334.464 0.269 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[C@@H](N3CCCCC3)C1)C2 ZINC000904999539 586857190 /nfs/dbraw/zinc/85/71/90/586857190.db2.gz PVQLEQZFRGRGMK-JJXSEGSLSA-N 1 3 334.464 0.411 20 0 ECADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32CN)C1 ZINC000905004932 586857953 /nfs/dbraw/zinc/85/79/53/586857953.db2.gz CKWOXCUSIUYSDK-FCEWJHQRSA-N 1 3 348.491 0.517 20 0 ECADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32CN)C1 ZINC000905004932 586857956 /nfs/dbraw/zinc/85/79/56/586857956.db2.gz CKWOXCUSIUYSDK-FCEWJHQRSA-N 1 3 348.491 0.517 20 0 ECADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@]34CC[NH2+]C4)C2)C1 ZINC000905010151 586860734 /nfs/dbraw/zinc/86/07/34/586860734.db2.gz FQMXZXGYEHSTHM-ROUUACIJSA-N 1 3 334.464 0.285 20 0 ECADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)CCC3(O)CCC3)C2)CC1 ZINC000905109678 586871199 /nfs/dbraw/zinc/87/11/99/586871199.db2.gz MZOAMHDLQOFKGM-NVXWUHKLSA-N 1 3 325.497 0.801 20 0 ECADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)CCC3(O)CCC3)C2)CC1 ZINC000905109677 586871279 /nfs/dbraw/zinc/87/12/79/586871279.db2.gz MZOAMHDLQOFKGM-DOTOQJQBSA-N 1 3 325.497 0.801 20 0 ECADHO CC(C)(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCCCC1 ZINC000906514669 586952278 /nfs/dbraw/zinc/95/22/78/586952278.db2.gz BPDSUAOXWADKNE-HNNXBMFYSA-N 1 3 338.496 0.955 20 0 ECADHO CC(C)(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCCCC1 ZINC000906514669 586952279 /nfs/dbraw/zinc/95/22/79/586952279.db2.gz BPDSUAOXWADKNE-HNNXBMFYSA-N 1 3 338.496 0.955 20 0 ECADHO CC[NH+](CC)CCOc1cccc(NC(=O)C(=O)N[C@H](C)CN)c1 ZINC000906685709 586967052 /nfs/dbraw/zinc/96/70/52/586967052.db2.gz STTMGILXUPAGRC-CYBMUJFWSA-N 1 3 336.436 0.809 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817948279 587393444 /nfs/dbraw/zinc/39/34/44/587393444.db2.gz WLZYPVMZHDMMMY-LJQANCHMSA-N 1 3 348.491 0.818 20 0 ECADHO [NH3+]CCNC(=O)c1ccccc1NC(=O)[C@@H]1CNCCC1(F)F ZINC000818583541 587439131 /nfs/dbraw/zinc/43/91/31/587439131.db2.gz ZHBIYIMLGIEDEH-NSHDSACASA-N 1 3 326.347 0.558 20 0 ECADHO CN(C)CCOc1ccc(N(C)C(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000844182119 589099873 /nfs/dbraw/zinc/09/98/73/589099873.db2.gz DRYUNPIAOGQGBG-UHFFFAOYSA-N 1 3 346.435 0.844 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000827936707 588147854 /nfs/dbraw/zinc/14/78/54/588147854.db2.gz ULZASPSINWLMGC-SCTDSRPQSA-N 1 3 329.444 0.897 20 0 ECADHO C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H](O)CN ZINC000844225240 589104125 /nfs/dbraw/zinc/10/41/25/589104125.db2.gz MEUIEWDSJWEGLS-INIZCTEOSA-N 1 3 336.436 0.103 20 0 ECADHO C[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H](O)CN ZINC000844225240 589104127 /nfs/dbraw/zinc/10/41/27/589104127.db2.gz MEUIEWDSJWEGLS-INIZCTEOSA-N 1 3 336.436 0.103 20 0 ECADHO CN(C)CCOc1cc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)ccn1 ZINC000844914241 589125583 /nfs/dbraw/zinc/12/55/83/589125583.db2.gz ZNNGTSVZGANJLB-GUYCJALGSA-N 1 3 345.403 0.559 20 0 ECADHO CCN1C[C@H](CN2CCC(C(=O)NCC[NH+](C)C)CC2)OC1=O ZINC000846822836 589225781 /nfs/dbraw/zinc/22/57/81/589225781.db2.gz QDZVYEQAROWTBA-AWEZNQCLSA-N 1 3 326.441 0.217 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C(C)C ZINC000848940117 589317278 /nfs/dbraw/zinc/31/72/78/589317278.db2.gz VAOFLMPUFAWUHP-HOTGVXAUSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C(C)C ZINC000848940117 589317280 /nfs/dbraw/zinc/31/72/80/589317280.db2.gz VAOFLMPUFAWUHP-HOTGVXAUSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C(C)C ZINC000848940116 589317351 /nfs/dbraw/zinc/31/73/51/589317351.db2.gz VAOFLMPUFAWUHP-CVEARBPZSA-N 1 3 338.496 0.966 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C(C)C ZINC000848940116 589317353 /nfs/dbraw/zinc/31/73/53/589317353.db2.gz VAOFLMPUFAWUHP-CVEARBPZSA-N 1 3 338.496 0.966 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000851689050 589415019 /nfs/dbraw/zinc/41/50/19/589415019.db2.gz HLZYLUPDZKYABG-UHFFFAOYSA-N 1 3 347.463 0.088 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000851689599 589415132 /nfs/dbraw/zinc/41/51/32/589415132.db2.gz REICXLQMSAIEOU-HNNXBMFYSA-N 1 3 326.485 0.858 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(CC[NH3+])CC2)CC1 ZINC000852753994 589510170 /nfs/dbraw/zinc/51/01/70/589510170.db2.gz XBBRECSLUUZMKM-CQSZACIVSA-N 1 3 340.468 0.736 20 0 ECADHO NC[C@@H]1CC(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)=NO1 ZINC000852864117 589519372 /nfs/dbraw/zinc/51/93/72/589519372.db2.gz WYISXNRNNNDXAX-CVEARBPZSA-N 1 3 330.432 0.771 20 0 ECADHO NC[C@@H]1CC(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)=NO1 ZINC000852864117 589519373 /nfs/dbraw/zinc/51/93/73/589519373.db2.gz WYISXNRNNNDXAX-CVEARBPZSA-N 1 3 330.432 0.771 20 0 ECADHO CCN1CCC[C@H]1CNC(=S)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853044510 589530221 /nfs/dbraw/zinc/53/02/21/589530221.db2.gz XTDUFMOUPPITRA-HOTGVXAUSA-N 1 3 340.537 0.876 20 0 ECADHO CCN1CCC[C@H]1CNC(=S)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853044510 589530223 /nfs/dbraw/zinc/53/02/23/589530223.db2.gz XTDUFMOUPPITRA-HOTGVXAUSA-N 1 3 340.537 0.876 20 0 ECADHO CN1CCC(C[NH2+]C[C@H](O)c2ccccn2)(N2CCOCC2)CC1 ZINC000853107837 589532131 /nfs/dbraw/zinc/53/21/31/589532131.db2.gz YPOAVZZTQMJJST-KRWDZBQOSA-N 1 3 334.464 0.501 20 0 ECADHO CN(C)C[C@@H](CO)NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000854463711 589587484 /nfs/dbraw/zinc/58/74/84/589587484.db2.gz FDURBJQUARBDDL-BJIFSAINSA-N 1 3 335.448 0.679 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000861754538 589888003 /nfs/dbraw/zinc/88/80/03/589888003.db2.gz MYYCGPPXJXHUEU-ZDUSSCGKSA-N 1 3 332.448 0.007 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)CN1CCN(C)CC1 ZINC000868357849 589896374 /nfs/dbraw/zinc/89/63/74/589896374.db2.gz IMKJFOFSGNASLX-ZACQAIPSSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)CN1CCN(C)CC1 ZINC000868357849 589896375 /nfs/dbraw/zinc/89/63/75/589896375.db2.gz IMKJFOFSGNASLX-ZACQAIPSSA-N 1 3 337.512 0.606 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000868390584 589900841 /nfs/dbraw/zinc/90/08/41/589900841.db2.gz NBUNLBSWKYMKAP-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000868407237 589902750 /nfs/dbraw/zinc/90/27/50/589902750.db2.gz SUPZGQSAMJZBQZ-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3COCO3)CC2)CC1 ZINC000861978049 589909215 /nfs/dbraw/zinc/90/92/15/589909215.db2.gz ULLOISKGFQKENN-MRXNPFEDSA-N 1 3 325.453 0.672 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1(C)C ZINC000868579161 589914781 /nfs/dbraw/zinc/91/47/81/589914781.db2.gz SEBKSCIXUGCPEK-CVEARBPZSA-N 1 3 337.512 0.748 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1(C)C ZINC000868579161 589914782 /nfs/dbraw/zinc/91/47/82/589914782.db2.gz SEBKSCIXUGCPEK-CVEARBPZSA-N 1 3 337.512 0.748 20 0 ECADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC000871461192 590071610 /nfs/dbraw/zinc/07/16/10/590071610.db2.gz GZZWDKXJLPGAJZ-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC000871461192 590071612 /nfs/dbraw/zinc/07/16/12/590071612.db2.gz GZZWDKXJLPGAJZ-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC000871461192 590071615 /nfs/dbraw/zinc/07/16/15/590071615.db2.gz GZZWDKXJLPGAJZ-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC000871461192 590071617 /nfs/dbraw/zinc/07/16/17/590071617.db2.gz GZZWDKXJLPGAJZ-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)CCCCCC[NH3+] ZINC000872155174 590099139 /nfs/dbraw/zinc/09/91/39/590099139.db2.gz FOPBCPCKDQKZGY-INIZCTEOSA-N 1 3 348.495 0.965 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000864939626 590117737 /nfs/dbraw/zinc/11/77/37/590117737.db2.gz DUYYNCUHOQEPFE-KBPBESRZSA-N 1 3 342.484 0.898 20 0 ECADHO NCc1cn(-c2cccc(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)c2)nn1 ZINC000873243520 590187110 /nfs/dbraw/zinc/18/71/10/590187110.db2.gz MFZOEHRCJUHCDG-QZTJIDSGSA-N 1 3 342.447 0.583 20 0 ECADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875218757 590283093 /nfs/dbraw/zinc/28/30/93/590283093.db2.gz FLNCJXKZUQRLNK-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1(C)C ZINC000875225610 590284101 /nfs/dbraw/zinc/28/41/01/590284101.db2.gz PEVBKOPIKUYXCA-LSDHHAIUSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875330653 590293402 /nfs/dbraw/zinc/29/34/02/590293402.db2.gz NWBWQCUJPYMRPZ-DZGCQCFKSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875330653 590293404 /nfs/dbraw/zinc/29/34/04/590293404.db2.gz NWBWQCUJPYMRPZ-DZGCQCFKSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C1=CCN(C)CC1 ZINC000875362265 590296203 /nfs/dbraw/zinc/29/62/03/590296203.db2.gz YPTCNQASKRAOAK-CWRNSKLLSA-N 1 3 334.464 0.306 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C1=CCN(C)CC1 ZINC000875362265 590296205 /nfs/dbraw/zinc/29/62/05/590296205.db2.gz YPTCNQASKRAOAK-CWRNSKLLSA-N 1 3 334.464 0.306 20 0 ECADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000876719547 590403441 /nfs/dbraw/zinc/40/34/41/590403441.db2.gz NZXBOEDQMDPMER-YQQAZPJKSA-N 1 3 325.453 0.513 20 0 ECADHO COCCN(C)CCCNC(=O)c1c(C)cnn1[C@@H]1CCC[NH2+]C1 ZINC000876728727 590404661 /nfs/dbraw/zinc/40/46/61/590404661.db2.gz UEYVEWKQQWESBO-OAHLLOKOSA-N 1 3 337.468 0.814 20 0 ECADHO COCCN1CCC(NC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876734527 590405630 /nfs/dbraw/zinc/40/56/30/590405630.db2.gz GGJHSAABACJELW-INIZCTEOSA-N 1 3 349.479 0.957 20 0 ECADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](N)CN(C)C)cc1F ZINC000876965563 590430040 /nfs/dbraw/zinc/43/00/40/590430040.db2.gz GPMHHZXKJRUTNW-QEJZJMRPSA-N 1 3 338.427 0.285 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876962036 590430237 /nfs/dbraw/zinc/43/02/37/590430237.db2.gz YRAQFGYPKMWHIK-YESZJQIVSA-N 1 3 335.423 0.817 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1=O ZINC000877136175 590440174 /nfs/dbraw/zinc/44/01/74/590440174.db2.gz ASYFQECIZIBBQC-CWRNSKLLSA-N 1 3 330.432 0.850 20 0 ECADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000877205948 590444695 /nfs/dbraw/zinc/44/46/95/590444695.db2.gz BITLDVZPHLFWPH-MLGOLLRUSA-N 1 3 328.420 0.730 20 0 ECADHO [NH3+]CCCCn1cc(C(=O)NC[C@@H]2Cc3ccccc3CN2)nn1 ZINC000877341030 590458990 /nfs/dbraw/zinc/45/89/90/590458990.db2.gz PDKDHYQONVZOMS-HNNXBMFYSA-N 1 3 328.420 0.461 20 0 ECADHO COC(=O)N1CCC([C@H](C)[NH2+]CC(=O)NC2CCN(C)CC2)CC1 ZINC000878456825 590522441 /nfs/dbraw/zinc/52/24/41/590522441.db2.gz PVYJZWARTQAYBI-ZDUSSCGKSA-N 1 3 340.468 0.653 20 0 ECADHO COC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)NC2CCN(C)CC2)CC1 ZINC000878456824 590522445 /nfs/dbraw/zinc/52/24/45/590522445.db2.gz PVYJZWARTQAYBI-CYBMUJFWSA-N 1 3 340.468 0.653 20 0 ECADHO CCOP(=O)(OCC)[C@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865046 590547966 /nfs/dbraw/zinc/54/79/66/590547966.db2.gz DHXMATFKZIGDNN-KBPBESRZSA-N 1 3 338.385 0.959 20 0 ECADHO CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865049 590548051 /nfs/dbraw/zinc/54/80/51/590548051.db2.gz DHXMATFKZIGDNN-ZIAGYGMSSA-N 1 3 338.385 0.959 20 0 ECADHO COC[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCCOC1 ZINC000883186038 590608307 /nfs/dbraw/zinc/60/83/07/590608307.db2.gz JINPYOSDCKNRJG-XHSDSOJGSA-N 1 3 327.469 0.605 20 0 ECADHO COC[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCCOC1 ZINC000883186038 590608308 /nfs/dbraw/zinc/60/83/08/590608308.db2.gz JINPYOSDCKNRJG-XHSDSOJGSA-N 1 3 327.469 0.605 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000883642006 590639460 /nfs/dbraw/zinc/63/94/60/590639460.db2.gz AWXRPCFRODSAGS-MCIONIFRSA-N 1 3 331.420 0.067 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659541 590645995 /nfs/dbraw/zinc/64/59/95/590645995.db2.gz KZWNSQOEIKGGLH-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659541 590645998 /nfs/dbraw/zinc/64/59/98/590645998.db2.gz KZWNSQOEIKGGLH-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@H]21 ZINC000883660811 590647471 /nfs/dbraw/zinc/64/74/71/590647471.db2.gz VFKQNKJLWUGQBU-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCCC34CCC4)CC[C@H]21 ZINC000883660811 590647473 /nfs/dbraw/zinc/64/74/73/590647473.db2.gz VFKQNKJLWUGQBU-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000884911291 590648223 /nfs/dbraw/zinc/64/82/23/590648223.db2.gz LYOZLDAPXGIPSZ-BZUAXINKSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000884923809 590650264 /nfs/dbraw/zinc/65/02/64/590650264.db2.gz VCYPFGBFMZESGV-KLHDSHLOSA-N 1 3 338.496 0.857 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971004 590658663 /nfs/dbraw/zinc/65/86/63/590658663.db2.gz XYCDKAAFJGLLES-CQSZACIVSA-N 1 3 326.485 0.679 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885292210 590705928 /nfs/dbraw/zinc/70/59/28/590705928.db2.gz SAKNEFIBKLTICO-ZDUSSCGKSA-N 1 3 346.422 0.292 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CCSC1 ZINC000884192099 590769511 /nfs/dbraw/zinc/76/95/11/590769511.db2.gz VWJOCTSMSXQPDA-QGZVFWFLSA-N 1 3 349.504 0.658 20 0 ECADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccnc(N2CCNCC2)c1 ZINC000884195702 590770484 /nfs/dbraw/zinc/77/04/84/590770484.db2.gz WPVJIXAOXPSVFH-JKSUJKDBSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccnc(N2CCNCC2)c1 ZINC000884195702 590770488 /nfs/dbraw/zinc/77/04/88/590770488.db2.gz WPVJIXAOXPSVFH-JKSUJKDBSA-N 1 3 329.448 0.848 20 0 ECADHO C[NH+]1CCC(OCC(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000885895763 590780538 /nfs/dbraw/zinc/78/05/38/590780538.db2.gz MHOGTKXSIAOQTL-HNNXBMFYSA-N 1 3 325.453 0.467 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884577280 590862273 /nfs/dbraw/zinc/86/22/73/590862273.db2.gz AYHKQJCVEOIIRX-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884650772 590883144 /nfs/dbraw/zinc/88/31/44/590883144.db2.gz VQOPVZYDISQJJD-UHFFFAOYSA-N 1 3 332.448 0.407 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000884686618 590894458 /nfs/dbraw/zinc/89/44/58/590894458.db2.gz QILGKJLABCTDGC-QGZVFWFLSA-N 1 3 346.475 0.835 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC[C@H]21 ZINC000884690515 590897327 /nfs/dbraw/zinc/89/73/27/590897327.db2.gz CFWURNHUVOZUNI-OWCLPIDISA-N 1 3 330.432 0.355 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC[C@H]21 ZINC000884690515 590897331 /nfs/dbraw/zinc/89/73/31/590897331.db2.gz CFWURNHUVOZUNI-OWCLPIDISA-N 1 3 330.432 0.355 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@H](COC)[C@@H]2CCCOC2)CC1 ZINC000886903511 590905146 /nfs/dbraw/zinc/90/51/46/590905146.db2.gz AHRYDWYGGFFLED-GDBMZVCRSA-N 1 3 327.469 0.618 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)CC[NH2+]1 ZINC000884718320 590906838 /nfs/dbraw/zinc/90/68/38/590906838.db2.gz ATIQEHLAEUJPGB-KFWWJZLASA-N 1 3 345.447 0.375 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CCN1c1ccncc1 ZINC000884721484 590909460 /nfs/dbraw/zinc/90/94/60/590909460.db2.gz LYESDCZTDUGAJK-CQSZACIVSA-N 1 3 343.431 0.155 20 0 ECADHO CCN(C(=O)C(=O)Nc1ccccc1CCN(C)C)[C@H]1CC[NH2+]C1 ZINC000887004541 590918568 /nfs/dbraw/zinc/91/85/68/590918568.db2.gz QERSCDQQTSAZIY-HNNXBMFYSA-N 1 3 332.448 0.940 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000884776674 590919885 /nfs/dbraw/zinc/91/98/85/590919885.db2.gz XRKUKVNZXZGOJS-HUUCEWRRSA-N 1 3 336.480 0.849 20 0 ECADHO CCN(C(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000887070035 590937867 /nfs/dbraw/zinc/93/78/67/590937867.db2.gz CNXZUXGGYRWYSW-ZBFHGGJFSA-N 1 3 345.447 0.329 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000887091560 590941859 /nfs/dbraw/zinc/94/18/59/590941859.db2.gz NZQKLRXDMDMAQY-RDTXWAMCSA-N 1 3 345.447 0.316 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=[NH2+])N1CCSCC1 ZINC000104191953 591053212 /nfs/dbraw/zinc/05/32/12/591053212.db2.gz VDKKPRFZMCCIDJ-CYBMUJFWSA-N 1 3 327.498 0.293 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623171 611370458 /nfs/dbraw/zinc/37/04/58/611370458.db2.gz FQJWFCCFWVLPNB-GASCZTMLSA-N 1 3 336.480 0.387 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623171 611370461 /nfs/dbraw/zinc/37/04/61/611370461.db2.gz FQJWFCCFWVLPNB-GASCZTMLSA-N 1 3 336.480 0.387 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623521 611370784 /nfs/dbraw/zinc/37/07/84/611370784.db2.gz LHFQTTRKDTWMLZ-HLLBOEOZSA-N 1 3 336.480 0.243 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623521 611370786 /nfs/dbraw/zinc/37/07/86/611370786.db2.gz LHFQTTRKDTWMLZ-HLLBOEOZSA-N 1 3 336.480 0.243 20 0 ECADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946631594 611376216 /nfs/dbraw/zinc/37/62/16/611376216.db2.gz PJXMFLHHUVTDRL-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946631594 611376218 /nfs/dbraw/zinc/37/62/18/611376218.db2.gz PJXMFLHHUVTDRL-OWCLPIDISA-N 1 3 336.480 0.517 20 0 ECADHO C[NH+](C)[C@@]1(CN2C(=O)N[C@@H](CN3CCCCC3)C2=O)CCSC1 ZINC000924484341 611407559 /nfs/dbraw/zinc/40/75/59/611407559.db2.gz WXUYKOWUVBSODL-XJKSGUPXSA-N 1 3 340.493 0.830 20 0 ECADHO CN(C)C[C@H]1NC(=O)N(Cc2ccccc2OCC[NH+](C)C)C1=O ZINC000924531458 611412446 /nfs/dbraw/zinc/41/24/46/611412446.db2.gz GZTIKJXVWOWTJA-CQSZACIVSA-N 1 3 334.420 0.609 20 0 ECADHO CN1CCC(O)(C[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000925119515 611454341 /nfs/dbraw/zinc/45/43/41/611454341.db2.gz XTNSJRQBRDZPNZ-AWEZNQCLSA-N 1 3 343.468 0.669 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000925297189 611466025 /nfs/dbraw/zinc/46/60/25/611466025.db2.gz UGYUDNAIMHJYAT-HOTGVXAUSA-N 1 3 330.432 0.991 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000925297189 611466026 /nfs/dbraw/zinc/46/60/26/611466026.db2.gz UGYUDNAIMHJYAT-HOTGVXAUSA-N 1 3 330.432 0.991 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779356 611472413 /nfs/dbraw/zinc/47/24/13/611472413.db2.gz NPNALYFXDOLXPE-YHUYYLMFSA-N 1 3 336.480 0.515 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779356 611472414 /nfs/dbraw/zinc/47/24/14/611472414.db2.gz NPNALYFXDOLXPE-YHUYYLMFSA-N 1 3 336.480 0.515 20 0 ECADHO CC(C)[NH+]1CCN(CCCN2CCCC[C@H]2CS(N)(=O)=O)CC1 ZINC000931230978 611523142 /nfs/dbraw/zinc/52/31/42/611523142.db2.gz OKKUIWLKWMRVOV-INIZCTEOSA-N 1 3 346.541 0.546 20 0 ECADHO O=C(C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)N1CC[C@@H](N2CCCC2)C1 ZINC000926326925 611535290 /nfs/dbraw/zinc/53/52/90/611535290.db2.gz QJCXCKJRQCVHDW-CRAIPNDOSA-N 1 3 334.464 0.428 20 0 ECADHO CO[C@@H](C)C[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC000949202364 608669956 /nfs/dbraw/zinc/66/99/56/608669956.db2.gz KGJKFGUDBYAAFT-AWEZNQCLSA-N 1 3 336.436 0.681 20 0 ECADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000936904114 608722201 /nfs/dbraw/zinc/72/22/01/608722201.db2.gz FCWUCDSZRNWQDR-HZPDHXFCSA-N 1 3 336.480 0.482 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000937941124 609410907 /nfs/dbraw/zinc/41/09/07/609410907.db2.gz PASAAHYDEKYEAP-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000938185045 609498757 /nfs/dbraw/zinc/49/87/57/609498757.db2.gz MLRMOHMZHQQXGC-AWEZNQCLSA-N 1 3 345.447 0.545 20 0 ECADHO CN(C)CCCS(=O)(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000921479558 609719287 /nfs/dbraw/zinc/71/92/87/609719287.db2.gz MJMXIPXTHOULLQ-HNNXBMFYSA-N 1 3 328.482 0.946 20 0 ECADHO CN(C)[C@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC000938320172 609733758 /nfs/dbraw/zinc/73/37/58/609733758.db2.gz DCEBKRSGQCRPOA-GJZGRUSLSA-N 1 3 334.464 0.140 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000938320533 609734195 /nfs/dbraw/zinc/73/41/95/609734195.db2.gz IGYWGSYHFXKYNE-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC000938401722 609777711 /nfs/dbraw/zinc/77/77/11/609777711.db2.gz BETMOTMQCDCIRB-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1CC[NH3+] ZINC000910956053 609782615 /nfs/dbraw/zinc/78/26/15/609782615.db2.gz FCAAOFLZLJHYAJ-HUUCEWRRSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@]1(CNC(=O)C(=O)NCC2([NH3+])CC2)CCCN1Cc1ccccc1 ZINC000910947403 609785471 /nfs/dbraw/zinc/78/54/71/609785471.db2.gz XMZBQDZKOVYRML-GOSISDBHSA-N 1 3 344.459 0.765 20 0 ECADHO C[NH2+]CCN(C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1)C(C)C ZINC000911027943 609791792 /nfs/dbraw/zinc/79/17/92/609791792.db2.gz FXIWXLVIXYEOIJ-LSDHHAIUSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911055719 609795948 /nfs/dbraw/zinc/79/59/48/609795948.db2.gz QOKMKZSNKQXVPX-QAPCUYQASA-N 1 3 336.480 0.722 20 0 ECADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911091440 609802582 /nfs/dbraw/zinc/80/25/82/609802582.db2.gz QFFPROHLTWCGET-MRXNPFEDSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000938491700 609816208 /nfs/dbraw/zinc/81/62/08/609816208.db2.gz BLCLUBKPZAMXSP-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000938491700 609816211 /nfs/dbraw/zinc/81/62/11/609816211.db2.gz BLCLUBKPZAMXSP-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO CN(CCN1CC2(C1)CCOCC2)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000913770677 609821200 /nfs/dbraw/zinc/82/12/00/609821200.db2.gz YJEMDIHFRRYCGJ-UHFFFAOYSA-N 1 3 338.496 0.051 20 0 ECADHO CN(CCN1CC2(C1)CCOCC2)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000913770677 609821202 /nfs/dbraw/zinc/82/12/02/609821202.db2.gz YJEMDIHFRRYCGJ-UHFFFAOYSA-N 1 3 338.496 0.051 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000938495904 609833516 /nfs/dbraw/zinc/83/35/16/609833516.db2.gz DADQJDSRFZIMIU-VGWMRTNUSA-N 1 3 338.496 0.774 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000938495904 609833518 /nfs/dbraw/zinc/83/35/18/609833518.db2.gz DADQJDSRFZIMIU-VGWMRTNUSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911332132 609849879 /nfs/dbraw/zinc/84/98/79/609849879.db2.gz OAJYXJGGONGLLS-HRCADAONSA-N 1 3 338.496 0.666 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543860 609851445 /nfs/dbraw/zinc/85/14/45/609851445.db2.gz DNPLWALIQRPYFB-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543860 609851448 /nfs/dbraw/zinc/85/14/48/609851448.db2.gz DNPLWALIQRPYFB-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CC[NH+](CC)CCOCCNS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914365067 609880491 /nfs/dbraw/zinc/88/04/91/609880491.db2.gz LOGRRKZUAHKNTO-INIZCTEOSA-N 1 3 347.525 0.750 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517615 609889907 /nfs/dbraw/zinc/88/99/07/609889907.db2.gz WTMRJSYOPQEELT-NKKGCODLSA-N 1 3 344.459 0.526 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517615 609889910 /nfs/dbraw/zinc/88/99/10/609889910.db2.gz WTMRJSYOPQEELT-NKKGCODLSA-N 1 3 344.459 0.526 20 0 ECADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000911542189 609897066 /nfs/dbraw/zinc/89/70/66/609897066.db2.gz MENVBHLHZMFTBG-CAOSSQGBSA-N 1 3 334.464 0.472 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc2[nH]c(=O)[nH]c21 ZINC000912302662 609945292 /nfs/dbraw/zinc/94/52/92/609945292.db2.gz GBAKSYCNVDIJOR-NSHDSACASA-N 1 3 334.424 0.665 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc2[nH]c(=O)[nH]c21 ZINC000912302662 609945293 /nfs/dbraw/zinc/94/52/93/609945293.db2.gz GBAKSYCNVDIJOR-NSHDSACASA-N 1 3 334.424 0.665 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)N1CCCCC1 ZINC000918000430 609992854 /nfs/dbraw/zinc/99/28/54/609992854.db2.gz DOARLEBLXMTLSL-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939908384 610168778 /nfs/dbraw/zinc/16/87/78/610168778.db2.gz NXRJOHDOZWESJT-CQSZACIVSA-N 1 3 331.420 0.107 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000941645522 610438727 /nfs/dbraw/zinc/43/87/27/610438727.db2.gz NIHFYPFCRIOFMW-OAHLLOKOSA-N 1 3 334.464 0.428 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000941149349 610573770 /nfs/dbraw/zinc/57/37/70/610573770.db2.gz YQLZAZZSWJWKPQ-INIZCTEOSA-N 1 3 345.447 0.355 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000944328249 610838700 /nfs/dbraw/zinc/83/87/00/610838700.db2.gz CZYWXOAQBSACKB-CVEARBPZSA-N 1 3 345.447 0.401 20 0 ECADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000923527029 611255793 /nfs/dbraw/zinc/25/57/93/611255793.db2.gz JPHYFHNMXXXNAP-HOTGVXAUSA-N 1 3 333.432 0.882 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)c2[nH]nc3c2CNCC3)C[C@H]1c1cccc(F)c1 ZINC000842509714 611314042 /nfs/dbraw/zinc/31/40/42/611314042.db2.gz LAOORXXEYWOEOA-UONOGXRCSA-N 1 3 329.379 0.761 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933850141 611753301 /nfs/dbraw/zinc/75/33/01/611753301.db2.gz BGWTVMBADZTRHN-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933850141 611753303 /nfs/dbraw/zinc/75/33/03/611753303.db2.gz BGWTVMBADZTRHN-OAHLLOKOSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CN1CCCC1 ZINC000950419970 612012688 /nfs/dbraw/zinc/01/26/88/612012688.db2.gz OSYOFHNPCYGMBS-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CN1CCCC1 ZINC000950419970 612012691 /nfs/dbraw/zinc/01/26/91/612012691.db2.gz OSYOFHNPCYGMBS-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000951237748 612096212 /nfs/dbraw/zinc/09/62/12/612096212.db2.gz DOSHTLWTFPFEMC-CABCVRRESA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000951239410 612097948 /nfs/dbraw/zinc/09/79/48/612097948.db2.gz VSQMYZDOYLPQDT-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000955342478 612466826 /nfs/dbraw/zinc/46/68/26/612466826.db2.gz ZRQDQNDCNQNQPV-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000955342478 612466827 /nfs/dbraw/zinc/46/68/27/612466827.db2.gz ZRQDQNDCNQNQPV-HUUCEWRRSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954811907 612705436 /nfs/dbraw/zinc/70/54/36/612705436.db2.gz JUCTWFYJKJARPF-SJORKVTESA-N 1 3 348.491 0.624 20 0 ECADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954815194 612708931 /nfs/dbraw/zinc/70/89/31/612708931.db2.gz JUCTWFYJKJARPF-IRXDYDNUSA-N 1 3 348.491 0.624 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000954997264 612842636 /nfs/dbraw/zinc/84/26/36/612842636.db2.gz RDRMHFXWPJTXDW-XJKSGUPXSA-N 1 3 347.463 0.599 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000954997264 612842639 /nfs/dbraw/zinc/84/26/39/612842639.db2.gz RDRMHFXWPJTXDW-XJKSGUPXSA-N 1 3 347.463 0.599 20 0 ECADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954357232 612874129 /nfs/dbraw/zinc/87/41/29/612874129.db2.gz PRTPSELVTMOJRP-JKSUJKDBSA-N 1 3 334.464 0.092 20 0 ECADHO Cc1nnsc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000969135691 731517558 /nfs/dbraw/zinc/51/75/58/731517558.db2.gz MUTXHAOINSPSQU-CHWSQXEVSA-N 1 3 346.460 0.996 20 0 ECADHO CN(C)C(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC000969135561 731517675 /nfs/dbraw/zinc/51/76/75/731517675.db2.gz BRLSAVSAOUDGNM-CQSZACIVSA-N 1 3 334.420 0.850 20 0 ECADHO CN(C)C(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC000969135561 731517676 /nfs/dbraw/zinc/51/76/76/731517676.db2.gz BRLSAVSAOUDGNM-CQSZACIVSA-N 1 3 334.420 0.850 20 0 ECADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1CNCc1cnnn1C)[NH+](C)C ZINC001025073308 738599927 /nfs/dbraw/zinc/59/99/27/738599927.db2.gz DKHKWKWZBFDBGQ-GDBMZVCRSA-N 1 3 336.484 0.872 20 0 ECADHO CC[C@H](F)CN(CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532981 733055317 /nfs/dbraw/zinc/05/53/17/733055317.db2.gz NLDWGBPPAMYMFJ-HNNXBMFYSA-N 1 3 347.475 0.598 20 0 ECADHO CC(C)NC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225733 733069534 /nfs/dbraw/zinc/06/95/34/733069534.db2.gz YVMPJUOGNVSBKH-OAHLLOKOSA-N 1 3 338.496 0.871 20 0 ECADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CCn3cncn3)CC2)C1 ZINC001167232903 733077534 /nfs/dbraw/zinc/07/75/34/733077534.db2.gz UECPOJNCXGEWCJ-HNNXBMFYSA-N 1 3 334.468 0.496 20 0 ECADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025140598 738711981 /nfs/dbraw/zinc/71/19/81/738711981.db2.gz JODHRWISNVRWLD-CQSZACIVSA-N 1 3 332.452 0.382 20 0 ECADHO O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1CN[C@H]1CCNC1=O ZINC001025168791 738752474 /nfs/dbraw/zinc/75/24/74/738752474.db2.gz WPJLTVQNWFCGIA-CVEARBPZSA-N 1 3 336.480 0.722 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)CCOCC)CC1 ZINC001098540856 733866089 /nfs/dbraw/zinc/86/60/89/733866089.db2.gz ZLUGHKHOFUMHGU-UHFFFAOYSA-N 1 3 329.485 0.650 20 0 ECADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)CCOCC)CC1 ZINC001098540856 733866096 /nfs/dbraw/zinc/86/60/96/733866096.db2.gz ZLUGHKHOFUMHGU-UHFFFAOYSA-N 1 3 329.485 0.650 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000970796249 733947082 /nfs/dbraw/zinc/94/70/82/733947082.db2.gz KGPMUDDJLPZROB-NVXWUHKLSA-N 1 3 344.459 0.831 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104290823 734000054 /nfs/dbraw/zinc/00/00/54/734000054.db2.gz FETJCVXRLPHBQC-UNEWFSDZSA-N 1 3 348.495 0.730 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971544031 734737586 /nfs/dbraw/zinc/73/75/86/734737586.db2.gz VXZHSEGHUFWZOR-HZPDHXFCSA-N 1 3 332.452 0.153 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971716047 734981939 /nfs/dbraw/zinc/98/19/39/734981939.db2.gz LDPKTFUDSDXYSN-HZPDHXFCSA-N 1 3 334.468 0.685 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971716047 734981942 /nfs/dbraw/zinc/98/19/42/734981942.db2.gz LDPKTFUDSDXYSN-HZPDHXFCSA-N 1 3 334.468 0.685 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)n1 ZINC000971800073 735078755 /nfs/dbraw/zinc/07/87/55/735078755.db2.gz HURSJVQIZJOQNI-DLBZAZTESA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)n1 ZINC000971800073 735078756 /nfs/dbraw/zinc/07/87/56/735078756.db2.gz HURSJVQIZJOQNI-DLBZAZTESA-N 1 3 348.495 0.912 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000972155960 735725103 /nfs/dbraw/zinc/72/51/03/735725103.db2.gz JUTCBBVYBXVYOU-SJORKVTESA-N 1 3 348.495 0.933 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000972155960 735725106 /nfs/dbraw/zinc/72/51/06/735725106.db2.gz JUTCBBVYBXVYOU-SJORKVTESA-N 1 3 348.495 0.933 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001006407364 751358706 /nfs/dbraw/zinc/35/87/06/751358706.db2.gz NIFHRQSOUYHASK-UHFFFAOYSA-N 1 3 333.480 0.981 20 0 ECADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972232526 735816963 /nfs/dbraw/zinc/81/69/63/735816963.db2.gz RZOSCXQXQVTNKC-INIZCTEOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC000972333870 735959392 /nfs/dbraw/zinc/95/93/92/735959392.db2.gz YDIXFNUQBFGBCU-WBVHZDCISA-N 1 3 333.480 0.980 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC000972333870 735959395 /nfs/dbraw/zinc/95/93/95/735959395.db2.gz YDIXFNUQBFGBCU-WBVHZDCISA-N 1 3 333.480 0.980 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCc3cnn(C)c3)C2)C1 ZINC000972336715 735964091 /nfs/dbraw/zinc/96/40/91/735964091.db2.gz YWCKDDHGGADNSK-RDJZCZTQSA-N 1 3 333.480 0.837 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCc3cnn(C)c3)C2)C1 ZINC000972336715 735964095 /nfs/dbraw/zinc/96/40/95/735964095.db2.gz YWCKDDHGGADNSK-RDJZCZTQSA-N 1 3 333.480 0.837 20 0 ECADHO C[C@H](C(N)=O)N1CCC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468810 736880251 /nfs/dbraw/zinc/88/02/51/736880251.db2.gz ZSPQSHZYGBFKJH-CHWSQXEVSA-N 1 3 329.404 0.650 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468810 736880253 /nfs/dbraw/zinc/88/02/53/736880253.db2.gz ZSPQSHZYGBFKJH-CHWSQXEVSA-N 1 3 329.404 0.650 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023468810 736880255 /nfs/dbraw/zinc/88/02/55/736880255.db2.gz ZSPQSHZYGBFKJH-CHWSQXEVSA-N 1 3 329.404 0.650 20 0 ECADHO CN(C)C(=O)CN1CCC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023469471 736880787 /nfs/dbraw/zinc/88/07/87/736880787.db2.gz FBTMZCQOZYBHDX-CQSZACIVSA-N 1 3 343.431 0.864 20 0 ECADHO CN(C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023469471 736880788 /nfs/dbraw/zinc/88/07/88/736880788.db2.gz FBTMZCQOZYBHDX-CQSZACIVSA-N 1 3 343.431 0.864 20 0 ECADHO CN(C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001023469471 736880790 /nfs/dbraw/zinc/88/07/90/736880790.db2.gz FBTMZCQOZYBHDX-CQSZACIVSA-N 1 3 343.431 0.864 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNCc3cn(C)nn3)C2)C1 ZINC001024156492 737783223 /nfs/dbraw/zinc/78/32/23/737783223.db2.gz OWRLPOUPZHEAJG-GJZGRUSLSA-N 1 3 334.468 0.485 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNCc3cn(C)nn3)C2)C1 ZINC001024156492 737783226 /nfs/dbraw/zinc/78/32/26/737783226.db2.gz OWRLPOUPZHEAJG-GJZGRUSLSA-N 1 3 334.468 0.485 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001024157291 737788648 /nfs/dbraw/zinc/78/86/48/737788648.db2.gz YVFVIDQNWGBWMU-HZPDHXFCSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001024157291 737788652 /nfs/dbraw/zinc/78/86/52/737788652.db2.gz YVFVIDQNWGBWMU-HZPDHXFCSA-N 1 3 348.495 0.968 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024264433 737870910 /nfs/dbraw/zinc/87/09/10/737870910.db2.gz QSUJDDLBXFEULX-HUUCEWRRSA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024264433 737870913 /nfs/dbraw/zinc/87/09/13/737870913.db2.gz QSUJDDLBXFEULX-HUUCEWRRSA-N 1 3 334.468 0.578 20 0 ECADHO Cn1ccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O ZINC001024796924 738304888 /nfs/dbraw/zinc/30/48/88/738304888.db2.gz IWMBZYOGFFHNDZ-SJORKVTESA-N 1 3 346.475 0.808 20 0 ECADHO Cn1ccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001024796924 738304892 /nfs/dbraw/zinc/30/48/92/738304892.db2.gz IWMBZYOGFFHNDZ-SJORKVTESA-N 1 3 346.475 0.808 20 0 ECADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001112009553 739320342 /nfs/dbraw/zinc/32/03/42/739320342.db2.gz IKNGHKRBZGCXSK-MPGHIAIKSA-N 1 3 336.480 0.576 20 0 ECADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001112009553 739320346 /nfs/dbraw/zinc/32/03/46/739320346.db2.gz IKNGHKRBZGCXSK-MPGHIAIKSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(N)=O ZINC001104682353 739473541 /nfs/dbraw/zinc/47/35/41/739473541.db2.gz NFHKNRQRGVKMKT-RBSFLKMASA-N 1 3 340.512 0.912 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025780046 739938265 /nfs/dbraw/zinc/93/82/65/739938265.db2.gz NIIKMGFWZGYBCW-LEOABGAYSA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025780046 739938266 /nfs/dbraw/zinc/93/82/66/739938266.db2.gz NIIKMGFWZGYBCW-LEOABGAYSA-N 1 3 334.464 0.184 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025809072 739976807 /nfs/dbraw/zinc/97/68/07/739976807.db2.gz YVOXHPYITHRSRN-BQJWPVKWSA-N 1 3 348.491 0.528 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025809072 739976811 /nfs/dbraw/zinc/97/68/11/739976811.db2.gz YVOXHPYITHRSRN-BQJWPVKWSA-N 1 3 348.491 0.528 20 0 ECADHO CC[C@H](C)NC(=O)C[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769666 740324580 /nfs/dbraw/zinc/32/45/80/740324580.db2.gz VPIGINQXFDUFOQ-NFOMZHRRSA-N 1 3 326.485 0.727 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC001026044197 740328827 /nfs/dbraw/zinc/32/88/27/740328827.db2.gz LNOHRBRWULYVTR-ZZTPXLKCSA-N 1 3 331.464 0.207 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC001026044197 740328829 /nfs/dbraw/zinc/32/88/29/740328829.db2.gz LNOHRBRWULYVTR-ZZTPXLKCSA-N 1 3 331.464 0.207 20 0 ECADHO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001026043248 740334560 /nfs/dbraw/zinc/33/45/60/740334560.db2.gz GSYQPPRURWDTCV-NLIDSEJHSA-N 1 3 327.444 0.626 20 0 ECADHO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001026043248 740334564 /nfs/dbraw/zinc/33/45/64/740334564.db2.gz GSYQPPRURWDTCV-NLIDSEJHSA-N 1 3 327.444 0.626 20 0 ECADHO Cn1nncc1CNCC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167736461 740795779 /nfs/dbraw/zinc/79/57/79/740795779.db2.gz APOODRKEVOXVLY-CQSZACIVSA-N 1 3 334.468 0.533 20 0 ECADHO Cn1nncc1CNCC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167736461 740795782 /nfs/dbraw/zinc/79/57/82/740795782.db2.gz APOODRKEVOXVLY-CQSZACIVSA-N 1 3 334.468 0.533 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000974164283 741040471 /nfs/dbraw/zinc/04/04/71/741040471.db2.gz ZXBWKPLQWFDTOC-LLLHUVSDSA-N 1 3 348.491 0.576 20 0 ECADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006683758 751667875 /nfs/dbraw/zinc/66/78/75/751667875.db2.gz ZYQOMMPRSKHMSZ-IHRRRGAJSA-N 1 3 347.463 0.646 20 0 ECADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006683758 751667878 /nfs/dbraw/zinc/66/78/78/751667878.db2.gz ZYQOMMPRSKHMSZ-IHRRRGAJSA-N 1 3 347.463 0.646 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001026887039 742042530 /nfs/dbraw/zinc/04/25/30/742042530.db2.gz KIDBGXHITMHOQT-XJKSGUPXSA-N 1 3 334.468 0.576 20 0 ECADHO CCn1c(C)nnc1CNC[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001026886599 742042553 /nfs/dbraw/zinc/04/25/53/742042553.db2.gz BEVRGUKHLRJRKU-YOEHRIQHSA-N 1 3 348.495 0.885 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001026887680 742044043 /nfs/dbraw/zinc/04/40/43/742044043.db2.gz TUEMSHNXOILHMK-RHSMWYFYSA-N 1 3 348.495 0.885 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027064310 742433593 /nfs/dbraw/zinc/43/35/93/742433593.db2.gz BRFBCZIQNUOHLX-GOEBONIOSA-N 1 3 348.495 0.886 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001027066478 742439825 /nfs/dbraw/zinc/43/98/25/742439825.db2.gz RMVNLLNYYRKYFI-GJZGRUSLSA-N 1 3 336.480 0.435 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001027091413 742524990 /nfs/dbraw/zinc/52/49/90/742524990.db2.gz MFSRXRIVSGFNRW-JSGCOSHPSA-N 1 3 329.408 0.169 20 0 ECADHO CCn1ccnc1CNC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027172969 743003657 /nfs/dbraw/zinc/00/36/57/743003657.db2.gz IURCCXUAZNQJLO-OAHLLOKOSA-N 1 3 331.464 0.937 20 0 ECADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1=O ZINC000996959393 743074338 /nfs/dbraw/zinc/07/43/38/743074338.db2.gz ADLQFBRTWMDNKZ-HZPDHXFCSA-N 1 3 338.496 0.774 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001027216601 743191979 /nfs/dbraw/zinc/19/19/79/743191979.db2.gz BOQHPJCNANPQQI-HUUCEWRRSA-N 1 3 332.452 0.299 20 0 ECADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000997307835 743471637 /nfs/dbraw/zinc/47/16/37/743471637.db2.gz XCRHLQJISWWIFJ-CQSZACIVSA-N 1 3 343.493 0.098 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000997366936 743538691 /nfs/dbraw/zinc/53/86/91/743538691.db2.gz QRYLSWXSLGAKTJ-JKSUJKDBSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000997392347 743564798 /nfs/dbraw/zinc/56/47/98/743564798.db2.gz JIFALENJVLRUET-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001020589851 751853289 /nfs/dbraw/zinc/85/32/89/751853289.db2.gz FICRVZCORAPOKQ-VGWMRTNUSA-N 1 3 336.480 0.574 20 0 ECADHO CN(C)C1(C(=O)N2CCC(C[NH2+]Cc3cnnn3C)CC2)CCC1 ZINC000997823335 743837572 /nfs/dbraw/zinc/83/75/72/743837572.db2.gz LMYMOWGZPKJSFF-UHFFFAOYSA-N 1 3 334.468 0.628 20 0 ECADHO CNC(=O)C[NH+]1CCC([C@H](C)NC(=O)c2cnccc2N(C)C)CC1 ZINC000997834869 743843864 /nfs/dbraw/zinc/84/38/64/743843864.db2.gz OXPWPOQGQBNIEV-ZDUSSCGKSA-N 1 3 347.463 0.724 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC000997844361 743848978 /nfs/dbraw/zinc/84/89/78/743848978.db2.gz NHFFVDPGFISVJL-HOTGVXAUSA-N 1 3 338.496 0.679 20 0 ECADHO Cc1nnc([C@@H](C)NCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000998267723 744087501 /nfs/dbraw/zinc/08/75/01/744087501.db2.gz ZOEZKBKIDGDMJT-DOMZBBRYSA-N 1 3 334.468 0.954 20 0 ECADHO Cc1nnc([C@@H](C)NCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000998267723 744087504 /nfs/dbraw/zinc/08/75/04/744087504.db2.gz ZOEZKBKIDGDMJT-DOMZBBRYSA-N 1 3 334.468 0.954 20 0 ECADHO Cc1nnc([C@H](C)NCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000998267726 744087853 /nfs/dbraw/zinc/08/78/53/744087853.db2.gz ZOEZKBKIDGDMJT-SWLSCSKDSA-N 1 3 334.468 0.954 20 0 ECADHO Cc1nnc([C@H](C)NCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000998267726 744087859 /nfs/dbraw/zinc/08/78/59/744087859.db2.gz ZOEZKBKIDGDMJT-SWLSCSKDSA-N 1 3 334.468 0.954 20 0 ECADHO COc1ccc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000998271340 744090452 /nfs/dbraw/zinc/09/04/52/744090452.db2.gz FYQJLBOJQMNYJU-OAHLLOKOSA-N 1 3 347.463 0.765 20 0 ECADHO COc1ccc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000998271340 744090454 /nfs/dbraw/zinc/09/04/54/744090454.db2.gz FYQJLBOJQMNYJU-OAHLLOKOSA-N 1 3 347.463 0.765 20 0 ECADHO O=C(N1CC[C@H](C(F)(F)F)[C@@H](NCCO)C1)C12CC[NH+](CC1)C2 ZINC000998306570 744110924 /nfs/dbraw/zinc/11/09/24/744110924.db2.gz VCYTYSAETIXZEP-RYUDHWBXSA-N 1 3 335.370 0.444 20 0 ECADHO COc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)c(C)n1 ZINC000998553343 744223732 /nfs/dbraw/zinc/22/37/32/744223732.db2.gz WGJKPRJOTJZJDS-UYSNPLJNSA-N 1 3 347.463 0.967 20 0 ECADHO CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC(NCc2cn(C)nn2)C1 ZINC000999058798 744492077 /nfs/dbraw/zinc/49/20/77/744492077.db2.gz SKARGJZZFWQDIC-UHFFFAOYSA-N 1 3 339.403 0.856 20 0 ECADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC000999402934 744678702 /nfs/dbraw/zinc/67/87/02/744678702.db2.gz STTDHMABKYZPKK-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC000999402934 744678705 /nfs/dbraw/zinc/67/87/05/744678705.db2.gz STTDHMABKYZPKK-HZPDHXFCSA-N 1 3 336.480 0.674 20 0 ECADHO COc1nccc(CNC2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC000999407749 744681141 /nfs/dbraw/zinc/68/11/41/744681141.db2.gz GDUXYZOMGFHEKU-JEYLPNPQSA-N 1 3 347.463 0.906 20 0 ECADHO COc1nccc(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC000999407749 744681142 /nfs/dbraw/zinc/68/11/42/744681142.db2.gz GDUXYZOMGFHEKU-JEYLPNPQSA-N 1 3 347.463 0.906 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC000999481087 744716939 /nfs/dbraw/zinc/71/69/39/744716939.db2.gz AIPXJLQVJUGDSP-HZPDHXFCSA-N 1 3 336.484 0.816 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC000977206319 744766714 /nfs/dbraw/zinc/76/67/14/744766714.db2.gz CXSYFYJSJXDXMV-POORBHPNSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC000977206319 744766716 /nfs/dbraw/zinc/76/67/16/744766716.db2.gz CXSYFYJSJXDXMV-POORBHPNSA-N 1 3 348.491 0.386 20 0 ECADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CCn3cncn3)C2)CC1 ZINC000999602282 744785052 /nfs/dbraw/zinc/78/50/52/744785052.db2.gz RCMPCCCWOORXBE-UHFFFAOYSA-N 1 3 334.468 0.589 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999681921 744837006 /nfs/dbraw/zinc/83/70/06/744837006.db2.gz KXKNSXYXLXBHBK-WLYUNCDWSA-N 1 3 334.468 0.719 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999681921 744837010 /nfs/dbraw/zinc/83/70/10/744837010.db2.gz KXKNSXYXLXBHBK-WLYUNCDWSA-N 1 3 334.468 0.719 20 0 ECADHO C[C@H](N[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1)C(N)=O ZINC000999795465 744907358 /nfs/dbraw/zinc/90/73/58/744907358.db2.gz ZXFPQSLGSNEEDS-HOCLYGCPSA-N 1 3 346.475 0.859 20 0 ECADHO COc1ncc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC000999833654 744928430 /nfs/dbraw/zinc/92/84/30/744928430.db2.gz BBIPHOWRGFOLFF-JEYLPNPQSA-N 1 3 347.463 0.824 20 0 ECADHO COc1ncc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC000999833654 744928431 /nfs/dbraw/zinc/92/84/31/744928431.db2.gz BBIPHOWRGFOLFF-JEYLPNPQSA-N 1 3 347.463 0.824 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999850120 744943623 /nfs/dbraw/zinc/94/36/23/744943623.db2.gz WDPQFDCCCLFNNI-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999850120 744943626 /nfs/dbraw/zinc/94/36/26/744943626.db2.gz WDPQFDCCCLFNNI-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000999879118 744989361 /nfs/dbraw/zinc/98/93/61/744989361.db2.gz UTZBQNOQALCHRV-KSSFIOAISA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000999890056 745014407 /nfs/dbraw/zinc/01/44/07/745014407.db2.gz XIXCCFYLSOHNBJ-HIFRSBDPSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000999890056 745014410 /nfs/dbraw/zinc/01/44/10/745014410.db2.gz XIXCCFYLSOHNBJ-HIFRSBDPSA-N 1 3 336.480 0.243 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001029136193 745154752 /nfs/dbraw/zinc/15/47/52/745154752.db2.gz BBXTXTLWFHOHQH-CQSZACIVSA-N 1 3 348.495 0.874 20 0 ECADHO Cn1ccc(CN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1=O ZINC000977590679 745220939 /nfs/dbraw/zinc/22/09/39/745220939.db2.gz UHFNBGZBSPGZMD-JKSUJKDBSA-N 1 3 346.475 0.664 20 0 ECADHO Cn1ccc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1=O ZINC000977590679 745220942 /nfs/dbraw/zinc/22/09/42/745220942.db2.gz UHFNBGZBSPGZMD-JKSUJKDBSA-N 1 3 346.475 0.664 20 0 ECADHO O=C(NC1(C2CC[NH+](CCO)CC2)CC1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001000157422 745298077 /nfs/dbraw/zinc/29/80/77/745298077.db2.gz KQHFOFYSKFXTCI-HOTGVXAUSA-N 1 3 337.464 0.203 20 0 ECADHO C[NH+](C)CCc1ccc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)cc1 ZINC001000204013 745344559 /nfs/dbraw/zinc/34/45/59/745344559.db2.gz YGDWSOGKXPDSLX-MRXNPFEDSA-N 1 3 332.448 0.470 20 0 ECADHO CN(C[C@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000977762343 745487803 /nfs/dbraw/zinc/48/78/03/745487803.db2.gz VCZNCMPRYNWSRY-CVEARBPZSA-N 1 3 345.447 0.353 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1)N(C)C ZINC000977940724 745672921 /nfs/dbraw/zinc/67/29/21/745672921.db2.gz DHCWIKDCGKTCJO-JKSUJKDBSA-N 1 3 338.496 0.728 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001027575658 745710947 /nfs/dbraw/zinc/71/09/47/745710947.db2.gz BYODKTYRJLOVNE-CVEARBPZSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027575658 745710950 /nfs/dbraw/zinc/71/09/50/745710950.db2.gz BYODKTYRJLOVNE-CVEARBPZSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C[C@H]1CCN1C(=O)CN1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC000977944028 745728124 /nfs/dbraw/zinc/72/81/24/745728124.db2.gz ITFQOMTVHQOTFP-MRXNPFEDSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@@H](C(N)=O)N1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000909007 745888637 /nfs/dbraw/zinc/88/86/37/745888637.db2.gz MXBQLRXKKRFEEF-INIZCTEOSA-N 1 3 341.415 0.960 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC001000926407 745905451 /nfs/dbraw/zinc/90/54/51/745905451.db2.gz NUMOYYJDROIUDA-CVEARBPZSA-N 1 3 349.479 0.469 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001059351948 746178656 /nfs/dbraw/zinc/17/86/56/746178656.db2.gz LYGKNJHFBVIRER-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978406500 746296487 /nfs/dbraw/zinc/29/64/87/746296487.db2.gz YPYQGJSENGYNDO-YHUYYLMFSA-N 1 3 348.491 0.386 20 0 ECADHO Cn1cc(CCN2CC=C(CNC(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC001001373811 746318931 /nfs/dbraw/zinc/31/89/31/746318931.db2.gz MORMNFONURIRAP-UHFFFAOYSA-N 1 3 343.475 0.807 20 0 ECADHO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000978562326 746443618 /nfs/dbraw/zinc/44/36/18/746443618.db2.gz UAXZDNPNEMEFNB-WEXBMKDWSA-N 1 3 345.487 0.944 20 0 ECADHO O=C(NC[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000978562326 746443622 /nfs/dbraw/zinc/44/36/22/746443622.db2.gz UAXZDNPNEMEFNB-WEXBMKDWSA-N 1 3 345.487 0.944 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC000984804222 746960398 /nfs/dbraw/zinc/96/03/98/746960398.db2.gz NJSRYRFFVVXAEG-KLHDSHLOSA-N 1 3 336.480 0.576 20 0 ECADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cn1 ZINC000984807668 746964152 /nfs/dbraw/zinc/96/41/52/746964152.db2.gz JBOHXSODWMQNHT-NZUILWFCSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000984807668 746964154 /nfs/dbraw/zinc/96/41/54/746964154.db2.gz JBOHXSODWMQNHT-NZUILWFCSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978967261 746968483 /nfs/dbraw/zinc/96/84/83/746968483.db2.gz YYFWBDDBAGOHDF-OSYLJGHBSA-N 1 3 343.475 0.618 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172492 747681377 /nfs/dbraw/zinc/68/13/77/747681377.db2.gz PCNMHMHRSIBAHF-OAGGEKHMSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)C1(C(=O)N2CC(CNC(=O)C3CC[NH+](C)CC3)C2)CCC1 ZINC001002919207 747959455 /nfs/dbraw/zinc/95/94/55/747959455.db2.gz SFRRXYFYTZORHX-UHFFFAOYSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CCn2cncn2)CC1)N(C)C ZINC000985480321 748227560 /nfs/dbraw/zinc/22/75/60/748227560.db2.gz FGRBFCVTBGRVLJ-INIZCTEOSA-N 1 3 336.484 0.787 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1)N(C)C ZINC000985480321 748227564 /nfs/dbraw/zinc/22/75/64/748227564.db2.gz FGRBFCVTBGRVLJ-INIZCTEOSA-N 1 3 336.484 0.787 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)[C@@H]1CCNC1=O ZINC001029767757 748291634 /nfs/dbraw/zinc/29/16/34/748291634.db2.gz JWNYASLHCIWJMG-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@@H](C(=O)N1CC(CNC(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC001003298920 748395228 /nfs/dbraw/zinc/39/52/28/748395228.db2.gz SYMNUYCLZDPYGD-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001003298705 748395378 /nfs/dbraw/zinc/39/53/78/748395378.db2.gz QFYVEJMSDWEBNO-OAHLLOKOSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001003330598 748433056 /nfs/dbraw/zinc/43/30/56/748433056.db2.gz GRJSHFSAHGYDPA-CQSZACIVSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001003330596 748433243 /nfs/dbraw/zinc/43/32/43/748433243.db2.gz GRJSHFSAHGYDPA-AWEZNQCLSA-N 1 3 334.464 0.141 20 0 ECADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001003330759 748433282 /nfs/dbraw/zinc/43/32/82/748433282.db2.gz CNBYOFYTMXEQBX-CKXIEVRYSA-N 1 3 349.475 0.467 20 0 ECADHO CC(C)(C(=O)NC1CCN(CCn2cncn2)CC1)[NH+]1CCCC1 ZINC001003424087 748538809 /nfs/dbraw/zinc/53/88/09/748538809.db2.gz OQZKZLJONUXSIW-UHFFFAOYSA-N 1 3 334.468 0.733 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@H]1CCCNC1=O ZINC001029823450 748613977 /nfs/dbraw/zinc/61/39/77/748613977.db2.gz CUMYCWKHCMNCMX-ZBFHGGJFSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@@H]1CCN(C)C1=O ZINC001029826031 748630375 /nfs/dbraw/zinc/63/03/75/748630375.db2.gz KYVPHGPJDKHKQA-GOEBONIOSA-N 1 3 336.480 0.339 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)NC2CCN(CCO)CC2)[C@@H](c2ccccc2)C1 ZINC001003667929 748776053 /nfs/dbraw/zinc/77/60/53/748776053.db2.gz RUHOXSSQCURFDU-MSOLQXFVSA-N 1 3 331.460 0.905 20 0 ECADHO C[N@H+]1C[C@H](C(=O)NC2CCN(CCO)CC2)[C@@H](c2ccccc2)C1 ZINC001003667929 748776056 /nfs/dbraw/zinc/77/60/56/748776056.db2.gz RUHOXSSQCURFDU-MSOLQXFVSA-N 1 3 331.460 0.905 20 0 ECADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985713263 748937810 /nfs/dbraw/zinc/93/78/10/748937810.db2.gz PWXNNZMONKDRNP-INIZCTEOSA-N 1 3 338.496 0.905 20 0 ECADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985713263 748937814 /nfs/dbraw/zinc/93/78/14/748937814.db2.gz PWXNNZMONKDRNP-INIZCTEOSA-N 1 3 338.496 0.905 20 0 ECADHO Cn1cc(CCN2CCC[C@@H]2CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001027885934 749105389 /nfs/dbraw/zinc/10/53/89/749105389.db2.gz LFPYCVXPPTTXID-MSOLQXFVSA-N 1 3 345.491 0.885 20 0 ECADHO Cn1nncc1CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001088425060 749164057 /nfs/dbraw/zinc/16/40/57/749164057.db2.gz MILQQBDDJXULSH-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO Cn1nncc1CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088425060 749164062 /nfs/dbraw/zinc/16/40/62/749164062.db2.gz MILQQBDDJXULSH-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001051356859 761932871 /nfs/dbraw/zinc/93/28/71/761932871.db2.gz QJQCLPCYHGDGLY-PMPSAXMXSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001004207478 749316945 /nfs/dbraw/zinc/31/69/45/749316945.db2.gz WGWAQBDEKOROFJ-HUUCEWRRSA-N 1 3 334.468 0.732 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168137094 749514523 /nfs/dbraw/zinc/51/45/23/749514523.db2.gz LXIUDDSJAWEDOO-AWEZNQCLSA-N 1 3 334.468 0.626 20 0 ECADHO CCn1nncc1CNCC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168137094 749514528 /nfs/dbraw/zinc/51/45/28/749514528.db2.gz LXIUDDSJAWEDOO-AWEZNQCLSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@H]1C[C@@H](CNCc2cn(C)nn2)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000980711836 750004662 /nfs/dbraw/zinc/00/46/62/750004662.db2.gz APNFNPQPKWWEQO-HOCLYGCPSA-N 1 3 348.495 0.874 20 0 ECADHO Cn1cc(CN[C@@H]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC000981311941 750574760 /nfs/dbraw/zinc/57/47/60/750574760.db2.gz PQYAFOIPKZNPGF-HUUCEWRRSA-N 1 3 334.468 0.674 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059790238 750674591 /nfs/dbraw/zinc/67/45/91/750674591.db2.gz NOKVTHDMTSSLEI-CVEARBPZSA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001059790238 750674593 /nfs/dbraw/zinc/67/45/93/750674593.db2.gz NOKVTHDMTSSLEI-CVEARBPZSA-N 1 3 338.496 0.633 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000981541408 750791561 /nfs/dbraw/zinc/79/15/61/750791561.db2.gz KMJXMQKIALDTBZ-HUUCEWRRSA-N 1 3 332.448 0.864 20 0 ECADHO CO[C@H](C)CN1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646447 750930044 /nfs/dbraw/zinc/93/00/44/750930044.db2.gz KNVWNRPBSNMNLT-JBCIKUTRSA-N 1 3 337.464 0.419 20 0 ECADHO CO[C@H](C)CN1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646447 750930046 /nfs/dbraw/zinc/93/00/46/750930046.db2.gz KNVWNRPBSNMNLT-JBCIKUTRSA-N 1 3 337.464 0.419 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001021089970 752530483 /nfs/dbraw/zinc/53/04/83/752530483.db2.gz DRTJQADNRGCXTR-LDKKBFSKSA-N 1 3 336.480 0.718 20 0 ECADHO CNC(=O)CN1CC[C@@H](CNC(=O)c2sccc2CN(C)C)C1 ZINC001028573028 753186512 /nfs/dbraw/zinc/18/65/12/753186512.db2.gz HRGXJEWTVLOOSP-LBPRGKRZSA-N 1 3 338.477 0.607 20 0 ECADHO CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2sccc2CN(C)C)C1 ZINC001028573028 753186519 /nfs/dbraw/zinc/18/65/19/753186519.db2.gz HRGXJEWTVLOOSP-LBPRGKRZSA-N 1 3 338.477 0.607 20 0 ECADHO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2sccc2CN(C)C)C1 ZINC001028573028 753186526 /nfs/dbraw/zinc/18/65/26/753186526.db2.gz HRGXJEWTVLOOSP-LBPRGKRZSA-N 1 3 338.477 0.607 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605872 754187207 /nfs/dbraw/zinc/18/72/07/754187207.db2.gz NDLASIDLYFPEBG-CVEARBPZSA-N 1 3 334.468 0.589 20 0 ECADHO CN1CCC[C@@H](N2CC[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028659092 754380113 /nfs/dbraw/zinc/38/01/13/754380113.db2.gz OAYNYCXESZSUFH-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001168320714 754512351 /nfs/dbraw/zinc/51/23/51/754512351.db2.gz LZRHQSWVHAADBE-UHFFFAOYSA-N 1 3 333.498 0.247 20 0 ECADHO CC(C)CCN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470357 755282331 /nfs/dbraw/zinc/28/23/31/755282331.db2.gz MWPRKLHDUVXSNN-CVEARBPZSA-N 1 3 337.468 0.266 20 0 ECADHO CCCC[C@H]([NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1)C(N)=O ZINC001101037782 755580895 /nfs/dbraw/zinc/58/08/95/755580895.db2.gz WYCSJKVJFGMCFT-NRXISQOPSA-N 1 3 326.485 0.855 20 0 ECADHO COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070508 756056519 /nfs/dbraw/zinc/05/65/19/756056519.db2.gz MPHLGAANMRQKIO-SYGRHNPNSA-N 1 3 335.448 0.029 20 0 ECADHO COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070508 756056524 /nfs/dbraw/zinc/05/65/24/756056524.db2.gz MPHLGAANMRQKIO-SYGRHNPNSA-N 1 3 335.448 0.029 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001010731820 756456350 /nfs/dbraw/zinc/45/63/50/756456350.db2.gz DSCGMZOKDDATDO-MRXNPFEDSA-N 1 3 336.480 0.627 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CCO2)cn1 ZINC001051616642 762483187 /nfs/dbraw/zinc/48/31/87/762483187.db2.gz KTWXZBLCLMMCRO-SJORKVTESA-N 1 3 347.463 0.079 20 0 ECADHO Cn1nccc1CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076567619 756666214 /nfs/dbraw/zinc/66/62/14/756666214.db2.gz BZNJKHDKMYXANT-YQQAZPJKSA-N 1 3 331.464 0.447 20 0 ECADHO Cn1nccc1CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567619 756666219 /nfs/dbraw/zinc/66/62/19/756666219.db2.gz BZNJKHDKMYXANT-YQQAZPJKSA-N 1 3 331.464 0.447 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001011208129 757190757 /nfs/dbraw/zinc/19/07/57/757190757.db2.gz IQRUVRDTPFCYOX-BZUAXINKSA-N 1 3 338.496 0.584 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001011208129 757190760 /nfs/dbraw/zinc/19/07/60/757190760.db2.gz IQRUVRDTPFCYOX-BZUAXINKSA-N 1 3 338.496 0.584 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)C[C@@H]3C2)CCC1 ZINC001048860027 757203974 /nfs/dbraw/zinc/20/39/74/757203974.db2.gz CYRLZHYSGBUVAP-OWCLPIDISA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@@H]3C2)CCC1 ZINC001048860027 757203978 /nfs/dbraw/zinc/20/39/78/757203978.db2.gz CYRLZHYSGBUVAP-OWCLPIDISA-N 1 3 348.491 0.482 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863629 757219344 /nfs/dbraw/zinc/21/93/44/757219344.db2.gz JEOPJNYCUZAIHQ-DMRZNYOFSA-N 1 3 336.480 0.194 20 0 ECADHO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863629 757219352 /nfs/dbraw/zinc/21/93/52/757219352.db2.gz JEOPJNYCUZAIHQ-DMRZNYOFSA-N 1 3 336.480 0.194 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000996310088 757335956 /nfs/dbraw/zinc/33/59/56/757335956.db2.gz KAZGIERUKYQWHP-HZPDHXFCSA-N 1 3 334.464 0.282 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1)C1CC1 ZINC000996312942 757344037 /nfs/dbraw/zinc/34/40/37/757344037.db2.gz ACYYMHTUNVRILG-IRXDYDNUSA-N 1 3 348.491 0.528 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001048919189 757410754 /nfs/dbraw/zinc/41/07/54/757410754.db2.gz UCDRWFFTKMHGGN-SOUVJXGZSA-N 1 3 334.464 0.140 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)N(C)C ZINC001011323194 757518231 /nfs/dbraw/zinc/51/82/31/757518231.db2.gz NCBQWWNVECMPJU-HRCADAONSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)N(C)C ZINC001011323194 757518238 /nfs/dbraw/zinc/51/82/38/757518238.db2.gz NCBQWWNVECMPJU-HRCADAONSA-N 1 3 338.496 0.728 20 0 ECADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048959563 757518761 /nfs/dbraw/zinc/51/87/61/757518761.db2.gz LNTGCBKZALFIGH-SIXLDLHFSA-N 1 3 348.491 0.386 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]2CN(CC(=O)N3CCC3)C[C@H]2C1)[NH+](C)C ZINC001049038345 757754290 /nfs/dbraw/zinc/75/42/90/757754290.db2.gz FOZWUSJVGBCQOS-HLLBOEOZSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001049057221 757806644 /nfs/dbraw/zinc/80/66/44/757806644.db2.gz MVIBGJREEKQDQG-YHUYYLMFSA-N 1 3 348.491 0.528 20 0 ECADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001049057221 757806657 /nfs/dbraw/zinc/80/66/57/757806657.db2.gz MVIBGJREEKQDQG-YHUYYLMFSA-N 1 3 348.491 0.528 20 0 ECADHO CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@H]3C2)C1=O ZINC001049059680 757821695 /nfs/dbraw/zinc/82/16/95/757821695.db2.gz ZTXSBJLAGTYNSN-MWDXBVQZSA-N 1 3 348.491 0.339 20 0 ECADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@H]3C2)C1=O ZINC001049059680 757821713 /nfs/dbraw/zinc/82/17/13/757821713.db2.gz ZTXSBJLAGTYNSN-MWDXBVQZSA-N 1 3 348.491 0.339 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1)C1CC1 ZINC001021710105 757839814 /nfs/dbraw/zinc/83/98/14/757839814.db2.gz ZQJRMYJLUCXLPP-LZLYRXPVSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+]C[C@H]3CCCOC3)C2)CCC1 ZINC001051650925 762588677 /nfs/dbraw/zinc/58/86/77/762588677.db2.gz FQVFVRAXCPZJSK-CVEARBPZSA-N 1 3 339.480 0.714 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996609570 758238954 /nfs/dbraw/zinc/23/89/54/758238954.db2.gz VQYMFMRNXQHIHO-CZUORRHYSA-N 1 3 347.463 0.906 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996609570 758238964 /nfs/dbraw/zinc/23/89/64/758238964.db2.gz VQYMFMRNXQHIHO-CZUORRHYSA-N 1 3 347.463 0.906 20 0 ECADHO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)N3CCCCC3)C2)C1=O ZINC001022081474 758250057 /nfs/dbraw/zinc/25/00/57/758250057.db2.gz HABGCRILSPFZOE-ZNMIVQPWSA-N 1 3 336.480 0.718 20 0 ECADHO Cc1ncoc1CNC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996619641 758256532 /nfs/dbraw/zinc/25/65/32/758256532.db2.gz JEQSDHBYTFAVDT-NVXWUHKLSA-N 1 3 348.447 0.927 20 0 ECADHO Cc1ncoc1CNC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000996619641 758256537 /nfs/dbraw/zinc/25/65/37/758256537.db2.gz JEQSDHBYTFAVDT-NVXWUHKLSA-N 1 3 348.447 0.927 20 0 ECADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022089400 758260972 /nfs/dbraw/zinc/26/09/72/758260972.db2.gz HLETVZNNVNKMMW-MJBXVCDLSA-N 1 3 335.477 0.925 20 0 ECADHO Cn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CN4CCC[C@@H]4CO3)C2)cn1 ZINC001022121175 758307199 /nfs/dbraw/zinc/30/71/99/758307199.db2.gz ZELRKGZUGNZYHZ-YYIAUSFCSA-N 1 3 347.463 0.063 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccccn2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001022121665 758307809 /nfs/dbraw/zinc/30/78/09/758307809.db2.gz IDNIKYHEDYKBCN-YYIAUSFCSA-N 1 3 330.432 0.682 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccccn2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001022121665 758307818 /nfs/dbraw/zinc/30/78/18/758307818.db2.gz IDNIKYHEDYKBCN-YYIAUSFCSA-N 1 3 330.432 0.682 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001051660787 762619826 /nfs/dbraw/zinc/61/98/26/762619826.db2.gz DQVGQVHDFYLTLO-NVXWUHKLSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001051660787 762619829 /nfs/dbraw/zinc/61/98/29/762619829.db2.gz DQVGQVHDFYLTLO-NVXWUHKLSA-N 1 3 349.479 0.612 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001077151318 758354933 /nfs/dbraw/zinc/35/49/33/758354933.db2.gz NGMGVVBVLSMBMA-ZNMIVQPWSA-N 1 3 328.501 0.924 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001077152217 758357979 /nfs/dbraw/zinc/35/79/79/758357979.db2.gz JAPCNMNGSVUGMC-GBJTYRQASA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001077152217 758357987 /nfs/dbraw/zinc/35/79/87/758357987.db2.gz JAPCNMNGSVUGMC-GBJTYRQASA-N 1 3 326.485 0.678 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2CC)C1 ZINC001022166461 758366741 /nfs/dbraw/zinc/36/67/41/758366741.db2.gz WKYZAUZPQNNKKT-LZWOXQAQSA-N 1 3 334.468 0.909 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2CC)C1 ZINC001022166461 758366753 /nfs/dbraw/zinc/36/67/53/758366753.db2.gz WKYZAUZPQNNKKT-LZWOXQAQSA-N 1 3 334.468 0.909 20 0 ECADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001049235873 758405819 /nfs/dbraw/zinc/40/58/19/758405819.db2.gz XYFGWENBORTWAF-OAGGEKHMSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)C1(C(=O)NCC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001060320601 762637943 /nfs/dbraw/zinc/63/79/43/762637943.db2.gz WSWPJYXWPIYIRH-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022455126 758745955 /nfs/dbraw/zinc/74/59/55/758745955.db2.gz IASQRGWGRVPGDE-BRYNBVAQSA-N 1 3 346.431 0.583 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022455126 758745961 /nfs/dbraw/zinc/74/59/61/758745961.db2.gz IASQRGWGRVPGDE-BRYNBVAQSA-N 1 3 346.431 0.583 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022455360 758747866 /nfs/dbraw/zinc/74/78/66/758747866.db2.gz SJZXCQRSBIDIBH-AMBDVVEUSA-N 1 3 349.475 0.513 20 0 ECADHO COCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049609720 758989472 /nfs/dbraw/zinc/98/94/72/758989472.db2.gz HWGBLODZFZMUDH-CBYDULDESA-N 1 3 349.475 0.561 20 0 ECADHO COCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049609720 758989478 /nfs/dbraw/zinc/98/94/78/758989478.db2.gz HWGBLODZFZMUDH-CBYDULDESA-N 1 3 349.475 0.561 20 0 ECADHO COc1coc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1=O ZINC001022713955 759027072 /nfs/dbraw/zinc/02/70/72/759027072.db2.gz NWFAUZJOLDLLGE-MCIONIFRSA-N 1 3 349.431 0.727 20 0 ECADHO COc1nccc(CN[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001022715571 759029760 /nfs/dbraw/zinc/02/97/60/759029760.db2.gz KQAZUYSBTPWVCE-YUELXQCFSA-N 1 3 333.436 0.564 20 0 ECADHO COc1nccc(CN[C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001022715571 759029769 /nfs/dbraw/zinc/02/97/69/759029769.db2.gz KQAZUYSBTPWVCE-YUELXQCFSA-N 1 3 333.436 0.564 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)C1 ZINC001022716736 759032104 /nfs/dbraw/zinc/03/21/04/759032104.db2.gz GYOYZPUXCXEZLE-QXSJWSMHSA-N 1 3 336.480 0.481 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001022806825 759128278 /nfs/dbraw/zinc/12/82/78/759128278.db2.gz BIJYYMYZGASJOS-FZKCQIBNSA-N 1 3 336.480 0.717 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]3[C@H]2CCN3CCn2cncn2)C1 ZINC001049841349 759283818 /nfs/dbraw/zinc/28/38/18/759283818.db2.gz RTQKORAIGUGCDA-BRWVUGGUSA-N 1 3 346.479 0.685 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]3[C@H]2CCN3CCn2cncn2)C1 ZINC001049841349 759283823 /nfs/dbraw/zinc/28/38/23/759283823.db2.gz RTQKORAIGUGCDA-BRWVUGGUSA-N 1 3 346.479 0.685 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001107039742 759512601 /nfs/dbraw/zinc/51/26/01/759512601.db2.gz WQUJDAZBOYUGAT-ZIAGYGMSSA-N 1 3 333.498 0.055 20 0 ECADHO CN1CCC[C@@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001017342988 767869837 /nfs/dbraw/zinc/86/98/37/767869837.db2.gz LLAGBZPHEJUMII-HZPDHXFCSA-N 1 3 334.464 0.450 20 0 ECADHO CN1CCC[C@@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001017342988 767869843 /nfs/dbraw/zinc/86/98/43/767869843.db2.gz LLAGBZPHEJUMII-HZPDHXFCSA-N 1 3 334.464 0.450 20 0 ECADHO COCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099333 759700414 /nfs/dbraw/zinc/70/04/14/759700414.db2.gz ANPPFNZVEUMINJ-FNYPPERVSA-N 1 3 349.475 0.419 20 0 ECADHO COCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099333 759700420 /nfs/dbraw/zinc/70/04/20/759700420.db2.gz ANPPFNZVEUMINJ-FNYPPERVSA-N 1 3 349.475 0.419 20 0 ECADHO C[C@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047976219 759761287 /nfs/dbraw/zinc/76/12/87/759761287.db2.gz SHGPLONTXMGIGQ-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047976219 759761292 /nfs/dbraw/zinc/76/12/92/759761292.db2.gz SHGPLONTXMGIGQ-LSDHHAIUSA-N 1 3 348.495 0.874 20 0 ECADHO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)nn1 ZINC001048064356 759905981 /nfs/dbraw/zinc/90/59/81/759905981.db2.gz IRBBSTGTAXWLMC-CABCVRRESA-N 1 3 347.463 0.908 20 0 ECADHO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)nn1 ZINC001048064358 759906109 /nfs/dbraw/zinc/90/61/09/759906109.db2.gz IRBBSTGTAXWLMC-HUUCEWRRSA-N 1 3 347.463 0.908 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](CC[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001050232731 760005242 /nfs/dbraw/zinc/00/52/42/760005242.db2.gz DAEAQVNMVGVOEM-HOTGVXAUSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nncn3C)CC2)C1 ZINC001050367691 760189978 /nfs/dbraw/zinc/18/99/78/760189978.db2.gz OTEAODUKOSGVJV-JYJNAYRXSA-N 1 3 348.495 0.922 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2cn(C)nn2)CC1 ZINC001050368132 760191159 /nfs/dbraw/zinc/19/11/59/760191159.db2.gz SYGZUMOTNKXIJA-JKQORVJESA-N 1 3 348.495 0.777 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](CNCc2cn(C)nn2)CC1 ZINC001050368132 760191167 /nfs/dbraw/zinc/19/11/67/760191167.db2.gz SYGZUMOTNKXIJA-JKQORVJESA-N 1 3 348.495 0.777 20 0 ECADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@H](O)C(C)(C)O)CC2)CC1 ZINC000911191082 760232183 /nfs/dbraw/zinc/23/21/83/760232183.db2.gz YHQXKYGINQDJLX-HNNXBMFYSA-N 1 3 327.469 0.137 20 0 ECADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@H](O)C(C)(C)O)CC2)CC1 ZINC000911191082 760232191 /nfs/dbraw/zinc/23/21/91/760232191.db2.gz YHQXKYGINQDJLX-HNNXBMFYSA-N 1 3 327.469 0.137 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1cn(C)nn1 ZINC001048368188 760389099 /nfs/dbraw/zinc/38/90/99/760389099.db2.gz JTHQQNZFMZKABM-UKRRQHHQSA-N 1 3 334.468 0.341 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050521413 760420149 /nfs/dbraw/zinc/42/01/49/760420149.db2.gz OYFGSOSNURYJEC-ZBFHGGJFSA-N 1 3 348.491 0.387 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001050732715 760750972 /nfs/dbraw/zinc/75/09/72/760750972.db2.gz YEXKVIAQULXKRG-AWEZNQCLSA-N 1 3 334.464 0.141 20 0 ECADHO Cc1nc(CN2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C3)n[nH]1 ZINC001048589065 760763587 /nfs/dbraw/zinc/76/35/87/760763587.db2.gz AWMQALWMIFESEI-JONQDZQNSA-N 1 3 346.479 0.924 20 0 ECADHO Cc1nc(CN2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C3)n[nH]1 ZINC001048589065 760763592 /nfs/dbraw/zinc/76/35/92/760763592.db2.gz AWMQALWMIFESEI-JONQDZQNSA-N 1 3 346.479 0.924 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]([NH2+][C@H]3CCN(C)C3=O)C(C)(C)C2)CCC1 ZINC000995890116 760770044 /nfs/dbraw/zinc/77/00/44/760770044.db2.gz ZDBZWSOCPHUBLX-KBPBESRZSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)[C@@H](C(=O)N1C[C@@H](NCC(=O)N2CCC2)C(C)(C)C1)[NH+](C)C ZINC000995925772 760787221 /nfs/dbraw/zinc/78/72/21/760787221.db2.gz MAZAFTMETCJMMV-ZBFHGGJFSA-N 1 3 338.496 0.632 20 0 ECADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082255 761018999 /nfs/dbraw/zinc/01/89/99/761018999.db2.gz NRQFXJSBCNWMFD-CABCVRRESA-N 1 3 326.485 0.822 20 0 ECADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082255 761019010 /nfs/dbraw/zinc/01/90/10/761019010.db2.gz NRQFXJSBCNWMFD-CABCVRRESA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082777 761027749 /nfs/dbraw/zinc/02/77/49/761027749.db2.gz YONWZDQFAVKFSS-CABCVRRESA-N 1 3 326.485 0.820 20 0 ECADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082777 761027755 /nfs/dbraw/zinc/02/77/55/761027755.db2.gz YONWZDQFAVKFSS-CABCVRRESA-N 1 3 326.485 0.820 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001017464651 768013979 /nfs/dbraw/zinc/01/39/79/768013979.db2.gz JUKXPMVJGRSZDI-RDJZCZTQSA-N 1 3 348.491 0.697 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001017464651 768013986 /nfs/dbraw/zinc/01/39/86/768013986.db2.gz JUKXPMVJGRSZDI-RDJZCZTQSA-N 1 3 348.491 0.697 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC000991479346 761139216 /nfs/dbraw/zinc/13/92/16/761139216.db2.gz NUMCNSBTQBWZDP-ZBFHGGJFSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC000991479346 761139221 /nfs/dbraw/zinc/13/92/21/761139221.db2.gz NUMCNSBTQBWZDP-ZBFHGGJFSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCn1cccn1 ZINC001106249809 768015405 /nfs/dbraw/zinc/01/54/05/768015405.db2.gz REJJOFOENGEIEM-OIISXLGYSA-N 1 3 333.480 0.907 20 0 ECADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(=O)N(C)C ZINC001106256004 768023138 /nfs/dbraw/zinc/02/31/38/768023138.db2.gz TXUJSSCFJITGBP-QLFBSQMISA-N 1 3 338.496 0.632 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000991537774 761451492 /nfs/dbraw/zinc/45/14/92/761451492.db2.gz MKKYCSVOPQIDNC-ZBFHGGJFSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000991537774 761451500 /nfs/dbraw/zinc/45/15/00/761451500.db2.gz MKKYCSVOPQIDNC-ZBFHGGJFSA-N 1 3 334.464 0.284 20 0 ECADHO Cn1cncc1CNC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001051749358 762868610 /nfs/dbraw/zinc/86/86/10/762868610.db2.gz CXURHYCZNPYLNC-MRXNPFEDSA-N 1 3 349.479 0.612 20 0 ECADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CC2CCOCC2)C1)N(C)C ZINC001051828999 763064591 /nfs/dbraw/zinc/06/45/91/763064591.db2.gz QVORELWHTBGHAT-HOTGVXAUSA-N 1 3 327.469 0.570 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@H](CNCc3cccnc3)C2)C1 ZINC001051901848 763276515 /nfs/dbraw/zinc/27/65/15/763276515.db2.gz POYPFKIFQHJWLH-DOTOQJQBSA-N 1 3 332.448 0.740 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@H](CNCc3cccnc3)C2)C1 ZINC001051901848 763276522 /nfs/dbraw/zinc/27/65/22/763276522.db2.gz POYPFKIFQHJWLH-DOTOQJQBSA-N 1 3 332.448 0.740 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)s1 ZINC001051929982 763360218 /nfs/dbraw/zinc/36/02/18/763360218.db2.gz GIFZWYZQIWXMAV-KBPBESRZSA-N 1 3 338.477 0.720 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)s1 ZINC001051929982 763360223 /nfs/dbraw/zinc/36/02/23/763360223.db2.gz GIFZWYZQIWXMAV-KBPBESRZSA-N 1 3 338.477 0.720 20 0 ECADHO COc1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)ccn1 ZINC001051930231 763362593 /nfs/dbraw/zinc/36/25/93/763362593.db2.gz KEWFCRBBKHXVMS-HZPDHXFCSA-N 1 3 348.447 0.359 20 0 ECADHO COc1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)ccn1 ZINC001051930231 763362600 /nfs/dbraw/zinc/36/26/00/763362600.db2.gz KEWFCRBBKHXVMS-HZPDHXFCSA-N 1 3 348.447 0.359 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCN1CCO ZINC001088872447 764255375 /nfs/dbraw/zinc/25/53/75/764255375.db2.gz UPZMNNIGEQEOTG-BGTYHANMSA-N 1 3 331.460 0.903 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCN1CCO ZINC001088872447 764255381 /nfs/dbraw/zinc/25/53/81/764255381.db2.gz UPZMNNIGEQEOTG-BGTYHANMSA-N 1 3 331.460 0.903 20 0 ECADHO O=C(N[C@H]1CCCN([C@H]2CCCNC2=O)CC1)C12CCC[NH+]1CCC2 ZINC001052527189 764694637 /nfs/dbraw/zinc/69/46/37/764694637.db2.gz SRERSVIYNKCJNA-HOTGVXAUSA-N 1 3 348.491 0.864 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001052662063 764956057 /nfs/dbraw/zinc/95/60/57/764956057.db2.gz QNJIMWSLNTUDJC-CABCVRRESA-N 1 3 326.485 0.491 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCn3cncn3)CC2)C1 ZINC001052713462 765031857 /nfs/dbraw/zinc/03/18/57/765031857.db2.gz XVKWLWCSTCYYLO-HOTGVXAUSA-N 1 3 334.468 0.591 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)CC2)C1 ZINC001052713462 765031860 /nfs/dbraw/zinc/03/18/60/765031860.db2.gz XVKWLWCSTCYYLO-HOTGVXAUSA-N 1 3 334.468 0.591 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(C[C@H]3CCc4ncnn43)C2)CC1 ZINC001015655711 765128778 /nfs/dbraw/zinc/12/87/78/765128778.db2.gz XHGAZFNKVOLBOM-LSDHHAIUSA-N 1 3 332.452 0.298 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCN(C[C@@H]3CCCCO3)C2)cn1 ZINC001015828278 765390464 /nfs/dbraw/zinc/39/04/64/765390464.db2.gz ZQXFIWMKWLHBLX-IRXDYDNUSA-N 1 3 349.479 0.818 20 0 ECADHO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC001077495550 765639641 /nfs/dbraw/zinc/63/96/41/765639641.db2.gz JXUDYHLNXAHZOW-AWEZNQCLSA-N 1 3 342.484 0.060 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001077499419 765721561 /nfs/dbraw/zinc/72/15/61/765721561.db2.gz KHQYNPQOGVJPEV-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077499419 765721564 /nfs/dbraw/zinc/72/15/64/765721564.db2.gz KHQYNPQOGVJPEV-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO CCN(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001053357675 766026486 /nfs/dbraw/zinc/02/64/86/766026486.db2.gz WBWPJZACJVLCEY-GJZGRUSLSA-N 1 3 340.512 0.879 20 0 ECADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001053437556 766133274 /nfs/dbraw/zinc/13/32/74/766133274.db2.gz QUMMDMUOIFMARJ-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001053437556 766133278 /nfs/dbraw/zinc/13/32/78/766133278.db2.gz QUMMDMUOIFMARJ-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@H](n3cc(CNCC4CC4)nn3)C2)CC1 ZINC001089590227 766365163 /nfs/dbraw/zinc/36/51/63/766365163.db2.gz YPFSPCJTSYYJQZ-QGZVFWFLSA-N 1 3 346.479 0.893 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)NC1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001016531364 766448358 /nfs/dbraw/zinc/44/83/58/766448358.db2.gz QCXAGMQNUAHCNR-FHERZECASA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)NC1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001016531364 766448362 /nfs/dbraw/zinc/44/83/62/766448362.db2.gz QCXAGMQNUAHCNR-FHERZECASA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)CC[N@@H+]1C ZINC001031684658 766456793 /nfs/dbraw/zinc/45/67/93/766456793.db2.gz XGXFLGOMCVPRGS-YESZJQIVSA-N 1 3 349.479 0.022 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)CC[N@H+]1C ZINC001031684658 766456799 /nfs/dbraw/zinc/45/67/99/766456799.db2.gz XGXFLGOMCVPRGS-YESZJQIVSA-N 1 3 349.479 0.022 20 0 ECADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127253923 766475654 /nfs/dbraw/zinc/47/56/54/766475654.db2.gz APEDEFRJKMYMLH-CVEARBPZSA-N 1 3 336.480 0.435 20 0 ECADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127253923 766475666 /nfs/dbraw/zinc/47/56/66/766475666.db2.gz APEDEFRJKMYMLH-CVEARBPZSA-N 1 3 336.480 0.435 20 0 ECADHO NC(=O)c1ccc(CNCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC001127254170 766509712 /nfs/dbraw/zinc/50/97/12/766509712.db2.gz CLOJOTNYAKYTPZ-DLBZAZTESA-N 1 3 344.459 0.866 20 0 ECADHO NC(=O)c1ccc(CNCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC001127254170 766509718 /nfs/dbraw/zinc/50/97/18/766509718.db2.gz CLOJOTNYAKYTPZ-DLBZAZTESA-N 1 3 344.459 0.866 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@]23CCC[C@@H]2N(CCn2cncn2)CC3)C1 ZINC000992426555 766540468 /nfs/dbraw/zinc/54/04/68/766540468.db2.gz JWVACBFLPPNYAE-SOLBZPMBSA-N 1 3 346.479 0.733 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@@]23CCC[C@@H]2N(CCn2cncn2)CC3)C1 ZINC000992426555 766540476 /nfs/dbraw/zinc/54/04/76/766540476.db2.gz JWVACBFLPPNYAE-SOLBZPMBSA-N 1 3 346.479 0.733 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](n3cc(CNCC4CCC4)nn3)C2)C1 ZINC001089593715 766576252 /nfs/dbraw/zinc/57/62/52/766576252.db2.gz RIHZOOIELGFAFD-WBVHZDCISA-N 1 3 346.479 0.893 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](n3cc(CNCC4CCC4)nn3)C2)C1 ZINC001089593715 766576259 /nfs/dbraw/zinc/57/62/59/766576259.db2.gz RIHZOOIELGFAFD-WBVHZDCISA-N 1 3 346.479 0.893 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1)N(C)C ZINC001046059162 766820014 /nfs/dbraw/zinc/82/00/14/766820014.db2.gz AVMFICDCLYQSLP-DLBZAZTESA-N 1 3 340.512 0.174 20 0 ECADHO CC(C)[C@H](C(=O)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1)N(C)C ZINC001046059162 766820023 /nfs/dbraw/zinc/82/00/23/766820023.db2.gz AVMFICDCLYQSLP-DLBZAZTESA-N 1 3 340.512 0.174 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001046066567 766855161 /nfs/dbraw/zinc/85/51/61/766855161.db2.gz MXLPPSIZDQTPEO-KRWDZBQOSA-N 1 3 331.464 0.971 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001046066567 766855167 /nfs/dbraw/zinc/85/51/67/766855167.db2.gz MXLPPSIZDQTPEO-KRWDZBQOSA-N 1 3 331.464 0.971 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NCCNCc2cncc(F)c2)n1 ZINC001127576846 767060054 /nfs/dbraw/zinc/06/00/54/767060054.db2.gz YWVYQAIGLQQHJX-UHFFFAOYSA-N 1 3 334.399 0.498 20 0 ECADHO CN(C(=O)CN1CCCC1)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000938683925 767063369 /nfs/dbraw/zinc/06/33/69/767063369.db2.gz SORAABSAYPAXAD-RDJZCZTQSA-N 1 3 336.480 0.482 20 0 ECADHO CC[C@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016932930 767340800 /nfs/dbraw/zinc/34/08/00/767340800.db2.gz HCXIOSINMMJKSX-ZIAGYGMSSA-N 1 3 334.464 0.317 20 0 ECADHO O=C(NCC1CN(C[C@H]2CCCCO2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856574 767444907 /nfs/dbraw/zinc/44/49/07/767444907.db2.gz CHVMHPAHIURWPV-YQSWOPOKSA-N 1 3 349.475 0.467 20 0 ECADHO O=C(NCC1CN(C[C@H]2CCCCO2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031856574 767444909 /nfs/dbraw/zinc/44/49/09/767444909.db2.gz CHVMHPAHIURWPV-YQSWOPOKSA-N 1 3 349.475 0.467 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)CCC1 ZINC001017142275 767642651 /nfs/dbraw/zinc/64/26/51/767642651.db2.gz MIIBJIYJOUCHHR-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)[C@@H]3CCNC3=O)C2)CCC1 ZINC001017142275 767642653 /nfs/dbraw/zinc/64/26/53/767642653.db2.gz MIIBJIYJOUCHHR-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1NCC(N)=O ZINC001054929694 768436141 /nfs/dbraw/zinc/43/61/41/768436141.db2.gz HCJNIQRIVTUJTB-CJNGLKHVSA-N 1 3 332.448 0.326 20 0 ECADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356879 768462032 /nfs/dbraw/zinc/46/20/32/768462032.db2.gz QRWLTVCLIKPAHM-OAHLLOKOSA-N 1 3 338.496 0.871 20 0 ECADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356879 768462036 /nfs/dbraw/zinc/46/20/36/768462036.db2.gz QRWLTVCLIKPAHM-OAHLLOKOSA-N 1 3 338.496 0.871 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000993806770 769651881 /nfs/dbraw/zinc/65/18/81/769651881.db2.gz NZWDKHZERYVJEA-IRXDYDNUSA-N 1 3 348.491 0.530 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000993814891 769669816 /nfs/dbraw/zinc/66/98/16/769669816.db2.gz GTXQDFSODAUFOX-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993814891 769669825 /nfs/dbraw/zinc/66/98/25/769669825.db2.gz GTXQDFSODAUFOX-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000993880604 769779356 /nfs/dbraw/zinc/77/93/56/769779356.db2.gz NORVFXCOIAROKF-SJORKVTESA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000993929144 769838354 /nfs/dbraw/zinc/83/83/54/769838354.db2.gz HPFIVYAOBKWHIZ-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000993929144 769838367 /nfs/dbraw/zinc/83/83/67/769838367.db2.gz HPFIVYAOBKWHIZ-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001018865578 770133554 /nfs/dbraw/zinc/13/35/54/770133554.db2.gz JJEHQPMFVHYLDN-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001018865578 770133563 /nfs/dbraw/zinc/13/35/63/770133563.db2.gz JJEHQPMFVHYLDN-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1)C1CCC1 ZINC001018971577 770432732 /nfs/dbraw/zinc/43/27/32/770432732.db2.gz IGANRJVYEAXPRK-INIZCTEOSA-N 1 3 344.459 0.960 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CN1CCCC1)C2)C1CC1 ZINC001019107988 770803654 /nfs/dbraw/zinc/80/36/54/770803654.db2.gz FBGNDYMHGMWTIW-QGZVFWFLSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001019241699 771049396 /nfs/dbraw/zinc/04/93/96/771049396.db2.gz VRVSQMZUXZLFDU-QLFBSQMISA-N 1 3 343.493 0.096 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC[NH+](C)C ZINC001056442143 771271417 /nfs/dbraw/zinc/27/14/17/771271417.db2.gz AJAGTPWCFBYHDQ-JKSUJKDBSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466652 771285355 /nfs/dbraw/zinc/28/53/55/771285355.db2.gz XZWKKNJGAHEXDY-HOCLYGCPSA-N 1 3 338.496 0.585 20 0 ECADHO NC(=O)c1cccc(CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001127475110 771305906 /nfs/dbraw/zinc/30/59/06/771305906.db2.gz QMXZWNYSFSDFCY-INIZCTEOSA-N 1 3 330.432 0.333 20 0 ECADHO Cn1ccnc1CNC[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001078420147 782916061 /nfs/dbraw/zinc/91/60/61/782916061.db2.gz HADGTXATBZIDOJ-JKSUJKDBSA-N 1 3 349.479 0.612 20 0 ECADHO Cn1ccnc1CNC[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCCO1 ZINC001078420147 782916068 /nfs/dbraw/zinc/91/60/68/782916068.db2.gz HADGTXATBZIDOJ-JKSUJKDBSA-N 1 3 349.479 0.612 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056546641 771371252 /nfs/dbraw/zinc/37/12/52/771371252.db2.gz XRPMOCGTLYVKKI-OAGGEKHMSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056565812 771387006 /nfs/dbraw/zinc/38/70/06/771387006.db2.gz WOQWFGSQHJRVKG-ARFHVFGLSA-N 1 3 338.496 0.870 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001019560695 771487253 /nfs/dbraw/zinc/48/72/53/771487253.db2.gz STBASQXERVZISS-HOTGVXAUSA-N 1 3 346.479 0.688 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC001019560821 771487739 /nfs/dbraw/zinc/48/77/39/771487739.db2.gz ZZOFWKOZMXRYGS-KRWDZBQOSA-N 1 3 333.480 0.885 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CC[C@H](n2cc(CNCC3CC3)nn2)C1)C1CC1 ZINC001089584145 771582607 /nfs/dbraw/zinc/58/26/07/771582607.db2.gz LVEIXWRFLVKRJH-IRXDYDNUSA-N 1 3 346.479 0.891 20 0 ECADHO NC(=O)c1cccc(CN[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001019659902 771683345 /nfs/dbraw/zinc/68/33/45/771683345.db2.gz RANNBTSDSBCLKT-INIZCTEOSA-N 1 3 342.443 0.572 20 0 ECADHO Cc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)cn1 ZINC001019780082 771790301 /nfs/dbraw/zinc/79/03/01/771790301.db2.gz IAQQSMMDXQPRMD-HOCLYGCPSA-N 1 3 347.463 0.444 20 0 ECADHO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)CN3CCOCC3)C2)o1 ZINC001019780440 771790680 /nfs/dbraw/zinc/79/06/80/771790680.db2.gz VAWFRNYPDLMRID-HIFRSBDPSA-N 1 3 336.436 0.642 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001019812239 771826931 /nfs/dbraw/zinc/82/69/31/771826931.db2.gz DUXZAFWHGJASGT-DOTOQJQBSA-N 1 3 344.459 0.783 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001020172006 772241009 /nfs/dbraw/zinc/24/10/09/772241009.db2.gz IIIRYJBJYPGHKK-RGCMKSIDSA-N 1 3 349.431 0.725 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001020172006 772241011 /nfs/dbraw/zinc/24/10/11/772241011.db2.gz IIIRYJBJYPGHKK-RGCMKSIDSA-N 1 3 349.431 0.725 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC[C@@H]1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001078465901 782998480 /nfs/dbraw/zinc/99/84/80/782998480.db2.gz NCJXFFRSKKEFKZ-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)C1 ZINC001020237133 772330568 /nfs/dbraw/zinc/33/05/68/772330568.db2.gz VKBGQHAUAWPAHD-RBSFLKMASA-N 1 3 334.468 0.530 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)C1 ZINC001020237133 772330573 /nfs/dbraw/zinc/33/05/73/772330573.db2.gz VKBGQHAUAWPAHD-RBSFLKMASA-N 1 3 334.468 0.530 20 0 ECADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001078473010 783019474 /nfs/dbraw/zinc/01/94/74/783019474.db2.gz NHEDJKKWWOBZCJ-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001078473010 783019481 /nfs/dbraw/zinc/01/94/81/783019481.db2.gz NHEDJKKWWOBZCJ-CABCVRRESA-N 1 3 338.496 0.824 20 0 ECADHO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)cn1 ZINC001020405915 772549459 /nfs/dbraw/zinc/54/94/59/772549459.db2.gz FHLXYIRRDPQFSR-SFGPOHQJSA-N 1 3 345.447 0.020 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020407186 772551646 /nfs/dbraw/zinc/55/16/46/772551646.db2.gz SJZXCQRSBIDIBH-LNJIXBOPSA-N 1 3 349.475 0.513 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CCc2ccnn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC001044752000 774580595 /nfs/dbraw/zinc/58/05/95/774580595.db2.gz WCRYVRNHCOSELL-UONOGXRCSA-N 1 3 330.436 0.898 20 0 ECADHO C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044753480 774582040 /nfs/dbraw/zinc/58/20/40/774582040.db2.gz CULOTUHRNCGYNF-ZIAGYGMSSA-N 1 3 333.436 0.544 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)CN1CCCC1 ZINC001044856594 774679642 /nfs/dbraw/zinc/67/96/42/774679642.db2.gz ACRRJZFZXXTQBM-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)(C(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O)[NH+]1CCCCC1 ZINC001045037671 774879053 /nfs/dbraw/zinc/87/90/53/774879053.db2.gz PDQBOKBOVDHGOY-LSDHHAIUSA-N 1 3 336.480 0.720 20 0 ECADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001045274696 775295171 /nfs/dbraw/zinc/29/51/71/775295171.db2.gz PVQIYNPQEMXHSX-AWEZNQCLSA-N 1 3 332.452 0.474 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN(C)C1CCC1 ZINC001044628023 776539191 /nfs/dbraw/zinc/53/91/91/776539191.db2.gz FDKHMAIYOPGHRY-KBPBESRZSA-N 1 3 334.468 0.769 20 0 ECADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079707904 776736747 /nfs/dbraw/zinc/73/67/47/776736747.db2.gz YKQFDBJBIGXPHJ-FHLIZLRMSA-N 1 3 345.491 0.741 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079807000 776910095 /nfs/dbraw/zinc/91/00/95/776910095.db2.gz GHSATGSZMZZJCF-KRWDZBQOSA-N 1 3 348.491 0.483 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C ZINC001079848810 776972185 /nfs/dbraw/zinc/97/21/85/776972185.db2.gz JCIGXQNAQHZVEO-BRWVUGGUSA-N 1 3 348.495 0.978 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C ZINC001079848810 776972189 /nfs/dbraw/zinc/97/21/89/776972189.db2.gz JCIGXQNAQHZVEO-BRWVUGGUSA-N 1 3 348.495 0.978 20 0 ECADHO CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079945259 777124332 /nfs/dbraw/zinc/12/43/32/777124332.db2.gz IHAFRCFPKKYDTC-GOEBONIOSA-N 1 3 336.480 0.338 20 0 ECADHO CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079945259 777124337 /nfs/dbraw/zinc/12/43/37/777124337.db2.gz IHAFRCFPKKYDTC-GOEBONIOSA-N 1 3 336.480 0.338 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001080018145 777240436 /nfs/dbraw/zinc/24/04/36/777240436.db2.gz JNYXNNPSXRGIQB-GDBMZVCRSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001080018145 777240443 /nfs/dbraw/zinc/24/04/43/777240443.db2.gz JNYXNNPSXRGIQB-GDBMZVCRSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080138838 777444916 /nfs/dbraw/zinc/44/49/16/777444916.db2.gz QEFCDWYMAPHBCT-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080138838 777444922 /nfs/dbraw/zinc/44/49/22/777444922.db2.gz QEFCDWYMAPHBCT-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001080382970 777774156 /nfs/dbraw/zinc/77/41/56/777774156.db2.gz LDCMCGFYHNAVCP-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001080384164 777777250 /nfs/dbraw/zinc/77/72/50/777777250.db2.gz NFNZPZKQQMHLLZ-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001078481135 779955005 /nfs/dbraw/zinc/95/50/05/779955005.db2.gz JPBUTTKHCHZEKJ-LSDHHAIUSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001078481135 779955009 /nfs/dbraw/zinc/95/50/09/779955009.db2.gz JPBUTTKHCHZEKJ-LSDHHAIUSA-N 1 3 340.512 0.927 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001078502028 780030205 /nfs/dbraw/zinc/03/02/05/780030205.db2.gz DBZIHENTEIFGLE-KKUMJFAQSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001078502028 780030216 /nfs/dbraw/zinc/03/02/16/780030216.db2.gz DBZIHENTEIFGLE-KKUMJFAQSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077818168 781752448 /nfs/dbraw/zinc/75/24/48/781752448.db2.gz IOSSTPIJADSSAA-HZPDHXFCSA-N 1 3 337.468 0.266 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CCC2(C1)CCN([C@@H]1CCNC1=O)CC2)C1CC1 ZINC001040726507 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0.545 20 0 ECADHO C[C@H]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CN1CCCO ZINC001071890996 785278967 /nfs/dbraw/zinc/27/89/67/785278967.db2.gz VLRJOQRCODUWDZ-GOEBONIOSA-N 1 3 337.468 0.410 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CN1CCn1cccn1 ZINC001071996131 785497131 /nfs/dbraw/zinc/49/71/31/785497131.db2.gz PMQAVCFQUBHNTO-CVEARBPZSA-N 1 3 331.464 0.948 20 0 ECADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001072297194 786003045 /nfs/dbraw/zinc/00/30/45/786003045.db2.gz GIBSMWVPEHVURE-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001073599755 786743556 /nfs/dbraw/zinc/74/35/56/786743556.db2.gz NBBNNJPSXZOSPE-CVEARBPZSA-N 1 3 327.469 0.449 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073599755 786743563 /nfs/dbraw/zinc/74/35/63/786743563.db2.gz NBBNNJPSXZOSPE-CVEARBPZSA-N 1 3 327.469 0.449 20 0 ECADHO C[C@H](O)CN1CCCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073651868 786875688 /nfs/dbraw/zinc/87/56/88/786875688.db2.gz JCUILJLQJVUZKC-JKSUJKDBSA-N 1 3 339.480 0.450 20 0 ECADHO O=C(NC[C@H]1C[N@H+](CC2CC2)CCCO1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001073710315 787020054 /nfs/dbraw/zinc/02/00/54/787020054.db2.gz XCBGMBKCBKMVSS-VIHIWDAPSA-N 1 3 349.475 0.467 20 0 ECADHO O=C(NC[C@H]1C[N@@H+](CC2CC2)CCCO1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001073710315 787020065 /nfs/dbraw/zinc/02/00/65/787020065.db2.gz XCBGMBKCBKMVSS-VIHIWDAPSA-N 1 3 349.475 0.467 20 0 ECADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001074652899 787513976 /nfs/dbraw/zinc/51/39/76/787513976.db2.gz LKTGXQZTSFDVOU-LZWOXQAQSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001074652899 787513980 /nfs/dbraw/zinc/51/39/80/787513980.db2.gz LKTGXQZTSFDVOU-LZWOXQAQSA-N 1 3 336.480 0.705 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3n[nH]c(C)n3)[C@@H]2C)CC[N@@H+]1C ZINC001074663126 787536693 /nfs/dbraw/zinc/53/66/93/787536693.db2.gz JCXCAELINSQQFR-CYUUQNCZSA-N 1 3 334.468 0.922 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3n[nH]c(C)n3)[C@@H]2C)CC[N@H+]1C ZINC001074663126 787536700 /nfs/dbraw/zinc/53/67/00/787536700.db2.gz JCXCAELINSQQFR-CYUUQNCZSA-N 1 3 334.468 0.922 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)[C@@H]1C)N(C)C ZINC001074710006 787656148 /nfs/dbraw/zinc/65/61/48/787656148.db2.gz ZLUYWXNFCKEZPU-LJISPDSOSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CCN1C(=O)[C@H]1CCCN1C ZINC001074792942 787826000 /nfs/dbraw/zinc/82/60/00/787826000.db2.gz LEBSZJQUTPKZBX-LJISPDSOSA-N 1 3 343.493 0.094 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001072621622 788450869 /nfs/dbraw/zinc/45/08/69/788450869.db2.gz DAQXRVZZVMPXDA-SWLSCSKDSA-N 1 3 347.463 0.566 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001072623894 788455926 /nfs/dbraw/zinc/45/59/26/788455926.db2.gz FZBMKHCVLBYFOQ-DOMZBBRYSA-N 1 3 335.452 0.566 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCC3)[C@@H]2C)C1 ZINC001074878057 788477221 /nfs/dbraw/zinc/47/72/21/788477221.db2.gz XZILWXQBLAPRAX-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001072675667 788567149 /nfs/dbraw/zinc/56/71/49/788567149.db2.gz YUSKPMDTLYQZOQ-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001072678975 788577552 /nfs/dbraw/zinc/57/75/52/788577552.db2.gz BQFCMFAWJVQTSC-GJZGRUSLSA-N 1 3 340.512 0.879 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001075156736 788996870 /nfs/dbraw/zinc/99/68/70/788996870.db2.gz ZELUHUBSFZXKJJ-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCO[C@@H]2CC2(F)F)C3)C1 ZINC001073425692 789823038 /nfs/dbraw/zinc/82/30/38/789823038.db2.gz DXZCOMSPJMUYEY-ZIAGYGMSSA-N 1 3 343.418 0.897 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCO[C@@H]2CC2(F)F)C3)C1 ZINC001073425692 789823042 /nfs/dbraw/zinc/82/30/42/789823042.db2.gz DXZCOMSPJMUYEY-ZIAGYGMSSA-N 1 3 343.418 0.897 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)CCC[NH+](C)C)N(C)C ZINC001067713350 792171938 /nfs/dbraw/zinc/17/19/38/792171938.db2.gz YPCVEPLAFIGHFN-OAHLLOKOSA-N 1 3 328.501 0.975 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001067008903 792563017 /nfs/dbraw/zinc/56/30/17/792563017.db2.gz CLZNPHOUXAISFV-HZPDHXFCSA-N 1 3 340.512 0.974 20 0 ECADHO CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266547157 835969527 /nfs/dbraw/zinc/96/95/27/835969527.db2.gz JWRRVDVQHWHMQV-LSDHHAIUSA-N 1 3 341.500 0.471 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCOCCO)C2)N(C)C ZINC001282971986 836065503 /nfs/dbraw/zinc/06/55/03/836065503.db2.gz DOECHTGQGAWRDE-HNNXBMFYSA-N 1 3 327.469 0.260 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCOCCO)C2)N(C)C ZINC001282971986 836065511 /nfs/dbraw/zinc/06/55/11/836065511.db2.gz DOECHTGQGAWRDE-HNNXBMFYSA-N 1 3 327.469 0.260 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCC(=O)N1CCCCC1 ZINC001267109509 836794539 /nfs/dbraw/zinc/79/45/39/836794539.db2.gz HPMAXMLVPMJOFI-IYBDPMFKSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCC(=O)N1CCCCC1 ZINC001267109509 836794542 /nfs/dbraw/zinc/79/45/42/836794542.db2.gz HPMAXMLVPMJOFI-IYBDPMFKSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C)C(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267888654 838693714 /nfs/dbraw/zinc/69/37/14/838693714.db2.gz GSWJGXLDVIQVES-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CNCCS(C)(=O)=O)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268069548 839256610 /nfs/dbraw/zinc/25/66/10/839256610.db2.gz YMANTXBRPYBMCK-KGLIPLIRSA-N 1 3 333.498 0.342 20 0 ECADHO C[C@H](CNCCS(C)(=O)=O)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268069548 839256622 /nfs/dbraw/zinc/25/66/22/839256622.db2.gz YMANTXBRPYBMCK-KGLIPLIRSA-N 1 3 333.498 0.342 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000416982979 282099169 /nfs/dbraw/zinc/09/91/69/282099169.db2.gz WTRNHPNQAFSXAA-GDBMZVCRSA-N 1 3 325.501 0.829 20 0 ECADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2CN)cc1 ZINC000419711143 282114685 /nfs/dbraw/zinc/11/46/85/282114685.db2.gz NAWMSCKGIQKVHS-KRWDZBQOSA-N 1 3 346.475 0.747 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000354657006 299087198 /nfs/dbraw/zinc/08/71/98/299087198.db2.gz IMJXLNZVOLLRGF-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)[C@@]1(CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CCSC1 ZINC000433381617 282230160 /nfs/dbraw/zinc/23/01/60/282230160.db2.gz ANXGKSMUJFHTIJ-SWLSCSKDSA-N 1 3 338.481 0.370 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)NCC1(N(C)C)CCC1)C(C)C ZINC000354779458 299124471 /nfs/dbraw/zinc/12/44/71/299124471.db2.gz FWNAZCXKGDCFQH-UHFFFAOYSA-N 1 3 326.485 0.822 20 0 ECADHO C[C@H](NC(=O)NCCN1CC[NH2+]CC1)[C@@H](c1ccccc1)N(C)C ZINC000418161565 299154543 /nfs/dbraw/zinc/15/45/43/299154543.db2.gz BYAHZYFWRCTULE-RDJZCZTQSA-N 1 3 333.480 0.882 20 0 ECADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[S@](=O)C1 ZINC000355231635 299222517 /nfs/dbraw/zinc/22/25/17/299222517.db2.gz ZJHKMYGSYYSSCU-FPTDNZKUSA-N 1 3 332.514 0.422 20 0 ECADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419414993 295892688 /nfs/dbraw/zinc/89/26/88/295892688.db2.gz FOBVBXTWQZZALU-HOCLYGCPSA-N 1 3 332.448 0.745 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000355267948 299227862 /nfs/dbraw/zinc/22/78/62/299227862.db2.gz SANYTUTWJXRKCF-GOEBONIOSA-N 1 3 338.496 0.824 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C2)C1 ZINC000410491498 283166283 /nfs/dbraw/zinc/16/62/83/283166283.db2.gz GYMQIEYKCUBXFZ-APWZRJJASA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C2)C1 ZINC000410491498 283166286 /nfs/dbraw/zinc/16/62/86/283166286.db2.gz GYMQIEYKCUBXFZ-APWZRJJASA-N 1 3 348.491 0.627 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000423151382 283501534 /nfs/dbraw/zinc/50/15/34/283501534.db2.gz KBRAHJQJHQRTMO-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000419375633 283579582 /nfs/dbraw/zinc/57/95/82/283579582.db2.gz RSNUFFCZBOZQLH-JKSUJKDBSA-N 1 3 340.512 0.831 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420431970 209365252 /nfs/dbraw/zinc/36/52/52/209365252.db2.gz GPHAIYNRZGXZPJ-SMDDNHRTSA-N 1 3 343.497 0.338 20 0 ECADHO COC(=O)c1cccc(OCCN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000420293607 209349109 /nfs/dbraw/zinc/34/91/09/209349109.db2.gz NKDPWHDPHRFNJF-OAHLLOKOSA-N 1 3 349.431 0.639 20 0 ECADHO NC1(CNC(=O)C(=O)N2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000420197800 209339874 /nfs/dbraw/zinc/33/98/74/209339874.db2.gz BZGKDBYYWVASRK-UHFFFAOYSA-N 1 3 344.459 0.719 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000420130778 209314953 /nfs/dbraw/zinc/31/49/53/209314953.db2.gz WKJCYSYHMQCZCO-INIZCTEOSA-N 1 3 338.496 0.955 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420085574 209301874 /nfs/dbraw/zinc/30/18/74/209301874.db2.gz NQQXVSFBJQTBFQ-GOEBONIOSA-N 1 3 338.496 0.714 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420085574 209301877 /nfs/dbraw/zinc/30/18/77/209301877.db2.gz NQQXVSFBJQTBFQ-GOEBONIOSA-N 1 3 338.496 0.714 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420084649 209301071 /nfs/dbraw/zinc/30/10/71/209301071.db2.gz AFBDFNKPRWURAL-UHFFFAOYSA-N 1 3 338.477 0.636 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000420007649 209276084 /nfs/dbraw/zinc/27/60/84/209276084.db2.gz ZTQLZCCRCXVOAK-OAGGEKHMSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000420004564 209274060 /nfs/dbraw/zinc/27/40/60/209274060.db2.gz ZFLIJLKRNHHCCA-AWEZNQCLSA-N 1 3 326.485 0.810 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000419973853 209266444 /nfs/dbraw/zinc/26/64/44/209266444.db2.gz HHZYAWBRXMSCED-RBSFLKMASA-N 1 3 326.485 0.713 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000419935005 209253516 /nfs/dbraw/zinc/25/35/16/209253516.db2.gz RNCZVYNRUWSHSS-UAGQMJEPSA-N 1 3 346.475 0.991 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000419935005 209253519 /nfs/dbraw/zinc/25/35/19/209253519.db2.gz RNCZVYNRUWSHSS-UAGQMJEPSA-N 1 3 346.475 0.991 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419913793 209247825 /nfs/dbraw/zinc/24/78/25/209247825.db2.gz BFUOIZDUXHNCEA-GVDBMIGSSA-N 1 3 344.459 0.745 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419913793 209247830 /nfs/dbraw/zinc/24/78/30/209247830.db2.gz BFUOIZDUXHNCEA-GVDBMIGSSA-N 1 3 344.459 0.745 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419894305 209241198 /nfs/dbraw/zinc/24/11/98/209241198.db2.gz OTWQGWCODFXVOV-KLHDSHLOSA-N 1 3 338.496 0.727 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419880696 209236353 /nfs/dbraw/zinc/23/63/53/209236353.db2.gz AHCCMYJUJYTWMR-UHFFFAOYSA-N 1 3 338.496 0.827 20 0 ECADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC2CC[NH2+]CC2)c1 ZINC000419844027 209221804 /nfs/dbraw/zinc/22/18/04/209221804.db2.gz NSKJGKUGJRAFGF-UHFFFAOYSA-N 1 3 346.475 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000419823629 209214869 /nfs/dbraw/zinc/21/48/69/209214869.db2.gz MDQAGSVZEZTLQZ-HRCADAONSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000419823629 209214873 /nfs/dbraw/zinc/21/48/73/209214873.db2.gz MDQAGSVZEZTLQZ-HRCADAONSA-N 1 3 336.480 0.753 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419763161 209200227 /nfs/dbraw/zinc/20/02/27/209200227.db2.gz NGOJDNXOTVIEQX-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419725387 209188812 /nfs/dbraw/zinc/18/88/12/209188812.db2.gz RYNJDYPDABJHCK-CQSZACIVSA-N 1 3 332.448 0.621 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418381617 284070118 /nfs/dbraw/zinc/07/01/18/284070118.db2.gz MEUIITBNFDBOHP-BBWFWOEESA-N 1 3 332.448 0.531 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000263259824 245374866 /nfs/dbraw/zinc/37/48/66/245374866.db2.gz SEYMQDYGENUWOF-WMZOPIPTSA-N 1 3 346.475 0.867 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000263259824 245374872 /nfs/dbraw/zinc/37/48/72/245374872.db2.gz SEYMQDYGENUWOF-WMZOPIPTSA-N 1 3 346.475 0.867 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419700300 209176699 /nfs/dbraw/zinc/17/66/99/209176699.db2.gz SGDZKCLHQUZGPR-OWCLPIDISA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419692516 209172063 /nfs/dbraw/zinc/17/20/63/209172063.db2.gz GZAWPYFHHLAJMZ-HZPDHXFCSA-N 1 3 338.496 0.871 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419657041 209160776 /nfs/dbraw/zinc/16/07/76/209160776.db2.gz VAVGJNNWWNPQGG-MRXNPFEDSA-N 1 3 344.459 0.574 20 0 ECADHO NCCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000419657041 209160779 /nfs/dbraw/zinc/16/07/79/209160779.db2.gz VAVGJNNWWNPQGG-MRXNPFEDSA-N 1 3 344.459 0.574 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)[C@@H]1C[NH3+] ZINC000419646285 209156182 /nfs/dbraw/zinc/15/61/82/209156182.db2.gz QADDTPXIVXBIEN-WMLDXEAASA-N 1 3 346.475 0.950 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CCC[C@H](C(=O)NCC[N@H+](C)CC)C1 ZINC000112925780 284338164 /nfs/dbraw/zinc/33/81/64/284338164.db2.gz IUSRSKOEEDZFJK-HOTGVXAUSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC)C1 ZINC000112925780 284338165 /nfs/dbraw/zinc/33/81/65/284338165.db2.gz IUSRSKOEEDZFJK-HOTGVXAUSA-N 1 3 340.512 0.929 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410882342 284341112 /nfs/dbraw/zinc/34/11/12/284341112.db2.gz FFXSCZNVHWAYCM-HNNXBMFYSA-N 1 3 326.485 0.585 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410882342 284341113 /nfs/dbraw/zinc/34/11/13/284341113.db2.gz FFXSCZNVHWAYCM-HNNXBMFYSA-N 1 3 326.485 0.585 20 0 ECADHO C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CNC2)C(C)(C)C[NH+](C)C ZINC000419548207 209122995 /nfs/dbraw/zinc/12/29/95/209122995.db2.gz RCIBHCDSGMTJOH-ZDUSSCGKSA-N 1 3 346.475 0.999 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000419527045 209116603 /nfs/dbraw/zinc/11/66/03/209116603.db2.gz UTKCGQSDXSQYBS-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO CNS(=O)(=O)c1ccc([C@H](C)NCCOCC[NH+](C)C)cc1 ZINC000447601395 211196283 /nfs/dbraw/zinc/19/62/83/211196283.db2.gz PQSOTTJUVNKCNT-ZDUSSCGKSA-N 1 3 329.466 0.824 20 0 ECADHO CNS(=O)(=O)c1ccc([C@@H](C)NCCOCC[NH+](C)C)cc1 ZINC000447601394 211195850 /nfs/dbraw/zinc/19/58/50/211195850.db2.gz PQSOTTJUVNKCNT-CYBMUJFWSA-N 1 3 329.466 0.824 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC001041676451 781969919 /nfs/dbraw/zinc/96/99/19/781969919.db2.gz XMIBWPDPXHSFBS-SJLPKXTDSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC001041676451 781969929 /nfs/dbraw/zinc/96/99/29/781969929.db2.gz XMIBWPDPXHSFBS-SJLPKXTDSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cccc(OCCN(C)C)c1 ZINC000414201402 208397127 /nfs/dbraw/zinc/39/71/27/208397127.db2.gz YEEHRDPYZYVWIA-ZBFHGGJFSA-N 1 3 333.436 0.930 20 0 ECADHO CN(CCC(=O)N1CCN(c2ccccn2)CC1)C1CC[NH2+]CC1 ZINC000430614357 210391209 /nfs/dbraw/zinc/39/12/09/210391209.db2.gz YKAPIMNXNDGWTN-UHFFFAOYSA-N 1 3 331.464 0.804 20 0 ECADHO C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C1CCNCC1 ZINC000430614357 210391212 /nfs/dbraw/zinc/39/12/12/210391212.db2.gz YKAPIMNXNDGWTN-UHFFFAOYSA-N 1 3 331.464 0.804 20 0 ECADHO C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C1CCNCC1 ZINC000430614357 210391217 /nfs/dbraw/zinc/39/12/17/210391217.db2.gz YKAPIMNXNDGWTN-UHFFFAOYSA-N 1 3 331.464 0.804 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)C1 ZINC000415299487 208482740 /nfs/dbraw/zinc/48/27/40/208482740.db2.gz MUSSIBKRHZPNKJ-CQSZACIVSA-N 1 3 334.420 0.386 20 0 ECADHO CC(C)[NH+]1CCN(CCCN2CCN(c3nccn3C)CC2)CC1 ZINC000429688945 210330109 /nfs/dbraw/zinc/33/01/09/210330109.db2.gz DTZMIXMMCWMYKE-UHFFFAOYSA-N 1 3 334.512 0.958 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000429517615 210322662 /nfs/dbraw/zinc/32/26/62/210322662.db2.gz SASYETBKSGMHSP-CZUORRHYSA-N 1 3 332.448 0.733 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)N2CCC([N@H+](C)CCO)CC2)C1 ZINC000161840656 296389026 /nfs/dbraw/zinc/38/90/26/296389026.db2.gz ZLPAJOALXSWCRR-OAHLLOKOSA-N 1 3 326.485 0.816 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)N2CCC([N@@H+](C)CCO)CC2)C1 ZINC000161840656 296389029 /nfs/dbraw/zinc/38/90/29/296389029.db2.gz ZLPAJOALXSWCRR-OAHLLOKOSA-N 1 3 326.485 0.816 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000419006000 208939347 /nfs/dbraw/zinc/93/93/47/208939347.db2.gz SHVADZCSIAOKJX-UHFFFAOYSA-N 1 3 344.459 0.898 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCNC(=O)OC ZINC000491265743 285242892 /nfs/dbraw/zinc/24/28/92/285242892.db2.gz PEDPZWXQBITNPI-CQSZACIVSA-N 1 3 328.457 0.607 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCNC(=O)OC ZINC000491265743 285242898 /nfs/dbraw/zinc/24/28/98/285242898.db2.gz PEDPZWXQBITNPI-CQSZACIVSA-N 1 3 328.457 0.607 20 0 ECADHO C[NH+](C)C[C@@H](O)CNC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496420245 255098446 /nfs/dbraw/zinc/09/84/46/255098446.db2.gz ZSXHJFOCFVYPTR-GJZGRUSLSA-N 1 3 345.484 0.507 20 0 ECADHO C[NH+](C)C[C@H](O)CNC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496420140 255098599 /nfs/dbraw/zinc/09/85/99/255098599.db2.gz ZSXHJFOCFVYPTR-CABCVRRESA-N 1 3 345.484 0.507 20 0 ECADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000419160616 209007056 /nfs/dbraw/zinc/00/70/56/209007056.db2.gz PZEQJNPVMYJUKP-INIZCTEOSA-N 1 3 338.496 0.858 20 0 ECADHO [NH3+][C@@H](CNC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000419427244 209093249 /nfs/dbraw/zinc/09/32/49/209093249.db2.gz ROYWSJOJJKHAJJ-DLBZAZTESA-N 1 3 344.459 0.793 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(C)C ZINC000357582637 299594772 /nfs/dbraw/zinc/59/47/72/299594772.db2.gz TYLRKYYZYULUSB-INIZCTEOSA-N 1 3 340.512 0.974 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H](C)CN1CCCCC1)C1CC[NH2+]CC1 ZINC000419426230 209091696 /nfs/dbraw/zinc/09/16/96/209091696.db2.gz QMJBITNQRSCRJM-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCN1CCOC1=O ZINC000495716008 285276545 /nfs/dbraw/zinc/27/65/45/285276545.db2.gz GBJUEQLLHAKBRM-HNNXBMFYSA-N 1 3 340.468 0.703 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCN1CCOC1=O ZINC000495716008 285276549 /nfs/dbraw/zinc/27/65/49/285276549.db2.gz GBJUEQLLHAKBRM-HNNXBMFYSA-N 1 3 340.468 0.703 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419175946 209013610 /nfs/dbraw/zinc/01/36/10/209013610.db2.gz YJFIXBAHRNTNDQ-BZUAXINKSA-N 1 3 338.496 0.871 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000419213247 209027533 /nfs/dbraw/zinc/02/75/33/209027533.db2.gz LFRKMAAHZFAJNN-INIZCTEOSA-N 1 3 348.447 0.097 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000419216351 209029236 /nfs/dbraw/zinc/02/92/36/209029236.db2.gz OZTNQIAXNCLIQC-OAHLLOKOSA-N 1 3 348.447 0.111 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419267859 209046069 /nfs/dbraw/zinc/04/60/69/209046069.db2.gz KSAVCNKJRMVXSB-CQSZACIVSA-N 1 3 332.448 0.704 20 0 ECADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419423822 209090704 /nfs/dbraw/zinc/09/07/04/209090704.db2.gz NOKSCOPUTHXVON-DLBZAZTESA-N 1 3 344.459 0.808 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419222350 209031347 /nfs/dbraw/zinc/03/13/47/209031347.db2.gz BRPFLIZROCJWES-DJIMGWMZSA-N 1 3 344.459 0.573 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC2(N(C)C)CCC2)cc1 ZINC000419237160 209037816 /nfs/dbraw/zinc/03/78/16/209037816.db2.gz LODZVLRWVLVRFR-ZDUSSCGKSA-N 1 3 332.448 0.923 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419334749 209063488 /nfs/dbraw/zinc/06/34/88/209063488.db2.gz NKYBMLALGZCUES-UHOFOFEASA-N 1 3 330.432 0.402 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419412589 209087407 /nfs/dbraw/zinc/08/74/07/209087407.db2.gz RAMDIXYXWCWHLG-KLHDSHLOSA-N 1 3 336.480 0.339 20 0 ECADHO O=C(C[C@@H]1CNCCO1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000296339147 258011050 /nfs/dbraw/zinc/01/10/50/258011050.db2.gz YSXMELAWGKJAFP-DLBZAZTESA-N 1 3 332.448 0.931 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000153627966 296692553 /nfs/dbraw/zinc/69/25/53/296692553.db2.gz QBFOIMUKUIMZRW-UHFFFAOYSA-N 1 3 335.452 0.420 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)N1CCN(C)CC1 ZINC000333921654 297155550 /nfs/dbraw/zinc/15/55/50/297155550.db2.gz QVBJYCQOLHFZOK-XHSDSOJGSA-N 1 3 325.501 0.650 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000247379314 165160813 /nfs/dbraw/zinc/16/08/13/165160813.db2.gz UAGDEQCPMSWFPV-IRXDYDNUSA-N 1 3 339.528 0.853 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000247379314 165160818 /nfs/dbraw/zinc/16/08/18/165160818.db2.gz UAGDEQCPMSWFPV-IRXDYDNUSA-N 1 3 339.528 0.853 20 0 ECADHO Cc1cccn2c(=O)cc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)nc12 ZINC000261643816 165221572 /nfs/dbraw/zinc/22/15/72/165221572.db2.gz ITNJIHVFLIUOHT-AWEZNQCLSA-N 1 3 343.431 0.290 20 0 ECADHO Cn1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c(-c2ccncc2)n1 ZINC000262133854 165296626 /nfs/dbraw/zinc/29/66/26/165296626.db2.gz OIGXSQFAPGIABZ-KRWDZBQOSA-N 1 3 326.448 0.962 20 0 ECADHO CN(C)C1CN(c2nc(N3CC([NH+](C)C)C3)cc(C(F)(F)F)n2)C1 ZINC000302141699 296895897 /nfs/dbraw/zinc/89/58/97/296895897.db2.gz PFAVBDYCGVIEGX-UHFFFAOYSA-N 1 3 344.385 0.996 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000174351847 263150037 /nfs/dbraw/zinc/15/00/37/263150037.db2.gz SWGWALMDTLGHOH-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000174351847 263150039 /nfs/dbraw/zinc/15/00/39/263150039.db2.gz SWGWALMDTLGHOH-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO CN(CCOCCO)Cc1ccc(C[N@H+](C)CCOCCO)cc1 ZINC000282467804 264046192 /nfs/dbraw/zinc/04/61/92/264046192.db2.gz LMLGYELWDHWORT-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO CN(CCOCCO)Cc1ccc(C[N@@H+](C)CCOCCO)cc1 ZINC000282467804 264046194 /nfs/dbraw/zinc/04/61/94/264046194.db2.gz LMLGYELWDHWORT-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)Nc1ccnn1CCN(C)C ZINC000297302421 265137971 /nfs/dbraw/zinc/13/79/71/265137971.db2.gz HQPISEKNLUDISU-UHFFFAOYSA-N 1 3 326.445 0.535 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)Nc1ccnn1CCN(C)C ZINC000297302421 265137972 /nfs/dbraw/zinc/13/79/72/265137972.db2.gz HQPISEKNLUDISU-UHFFFAOYSA-N 1 3 326.445 0.535 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@H]1[NH3+] ZINC000418855563 274322522 /nfs/dbraw/zinc/32/25/22/274322522.db2.gz VAIKWTWXMOKKRO-FVQBIDKESA-N 1 3 332.448 0.081 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000419691131 276244906 /nfs/dbraw/zinc/24/49/06/276244906.db2.gz DJBJOXHKWFRFJV-GOEBONIOSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](C(=O)N[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000360402171 437595015 /nfs/dbraw/zinc/59/50/15/437595015.db2.gz MAGJGQWYBJYYEL-RBSFLKMASA-N 1 3 326.485 0.678 20 0 ECADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CC1)N(C)C ZINC000360402171 437595018 /nfs/dbraw/zinc/59/50/18/437595018.db2.gz MAGJGQWYBJYYEL-RBSFLKMASA-N 1 3 326.485 0.678 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000419902579 277271040 /nfs/dbraw/zinc/27/10/40/277271040.db2.gz WANMIUYASZPSOD-RDJZCZTQSA-N 1 3 346.475 0.834 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1CN ZINC000419722211 277689838 /nfs/dbraw/zinc/68/98/38/277689838.db2.gz LRPSNULTZQISCU-OCCSQVGLSA-N 1 3 338.496 0.998 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000104411383 279276203 /nfs/dbraw/zinc/27/62/03/279276203.db2.gz WAMXKEJMXUHDPE-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000104411383 279276205 /nfs/dbraw/zinc/27/62/05/279276205.db2.gz WAMXKEJMXUHDPE-INIZCTEOSA-N 1 3 336.480 0.627 20 0 ECADHO CCO[C@H]1C[C@](N)(C(=O)NCCC[NH+]2CCC(O)CC2)C1(C)C ZINC000444185020 279939808 /nfs/dbraw/zinc/93/98/08/279939808.db2.gz PVRGNLJUIPLBHI-YOEHRIQHSA-N 1 3 327.469 0.482 20 0 ECADHO CC(C)[C@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@H](C)[NH3+] ZINC000423389836 280170261 /nfs/dbraw/zinc/17/02/61/280170261.db2.gz JUEWWQKLKMZIPX-KKUMJFAQSA-N 1 3 326.485 0.665 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419078243 281052575 /nfs/dbraw/zinc/05/25/75/281052575.db2.gz KSULSDREDLKMBR-INIZCTEOSA-N 1 3 336.480 0.793 20 0 ECADHO CN(C)C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000354686018 289207605 /nfs/dbraw/zinc/20/76/05/289207605.db2.gz ZFVPSGDFHARMCP-CVEARBPZSA-N 1 3 332.448 0.664 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332182953 297013926 /nfs/dbraw/zinc/01/39/26/297013926.db2.gz VYYKAMZJMLSERA-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332182953 297013927 /nfs/dbraw/zinc/01/39/27/297013927.db2.gz VYYKAMZJMLSERA-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cc(S(=O)(=O)NCCN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000420338940 294271189 /nfs/dbraw/zinc/27/11/89/294271189.db2.gz YINMGXPEPITMIE-UONOGXRCSA-N 1 3 341.481 0.020 20 0 ECADHO N[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000419928310 295330663 /nfs/dbraw/zinc/33/06/63/295330663.db2.gz KWRFGFCHQKGTFM-DLBZAZTESA-N 1 3 344.459 0.889 20 0 ECADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000419413997 295334102 /nfs/dbraw/zinc/33/41/02/295334102.db2.gz DRUBUQKDUBZGEN-IRXDYDNUSA-N 1 3 344.459 0.889 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](F)C[C@H]3CO)CC2)CC1 ZINC000333299560 297122566 /nfs/dbraw/zinc/12/25/66/297122566.db2.gz SNEOCOKKSOTUFQ-BBRMVZONSA-N 1 3 342.459 0.659 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333557634 297141575 /nfs/dbraw/zinc/14/15/75/297141575.db2.gz KLEVTNYHOQCPIZ-KSYCFECVSA-N 1 3 332.452 0.339 20 0 ECADHO N[C@@H]1Cc2ccccc2N(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000333602687 297144193 /nfs/dbraw/zinc/14/41/93/297144193.db2.gz QRRURPVTDFTPJG-KGLIPLIRSA-N 1 3 326.404 0.733 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[NH2+]1 ZINC000333897547 297154771 /nfs/dbraw/zinc/15/47/71/297154771.db2.gz ZGJYVXBFKPZNLT-RBSFLKMASA-N 1 3 337.468 0.075 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339748611 297377883 /nfs/dbraw/zinc/37/78/83/297377883.db2.gz GBZFRLQYTCAQDR-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000343683839 297909566 /nfs/dbraw/zinc/90/95/66/297909566.db2.gz INIBCJNAGSPPFZ-ARFHVFGLSA-N 1 3 338.496 0.776 20 0 ECADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000344635477 298047640 /nfs/dbraw/zinc/04/76/40/298047640.db2.gz LJTJNWVOQJWBER-FUHWJXTLSA-N 1 3 346.475 0.285 20 0 ECADHO CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[C@H]1c1ccccc1 ZINC000345062250 298112755 /nfs/dbraw/zinc/11/27/55/298112755.db2.gz IWWNZFLYALWKPP-OKZBNKHCSA-N 1 3 328.460 0.938 20 0 ECADHO CN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[C@H]1c1ccccc1 ZINC000345062250 298112757 /nfs/dbraw/zinc/11/27/57/298112757.db2.gz IWWNZFLYALWKPP-OKZBNKHCSA-N 1 3 328.460 0.938 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1=O ZINC000346345331 298262967 /nfs/dbraw/zinc/26/29/67/298262967.db2.gz VDZRXIRDHSHUER-JKSUJKDBSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H](CO)N1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000346694851 298320178 /nfs/dbraw/zinc/32/01/78/298320178.db2.gz WQCUTXJFVPUMAX-HNNXBMFYSA-N 1 3 338.496 0.118 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419096455 298578502 /nfs/dbraw/zinc/57/85/02/298578502.db2.gz CMPPCPHFAVFCJA-OAGGEKHMSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(CC2CCCCC2)CC1 ZINC000351555264 298786173 /nfs/dbraw/zinc/78/61/73/298786173.db2.gz KWZXDQLAEJBMQN-INIZCTEOSA-N 1 3 336.480 0.579 20 0 ECADHO CN(CC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@@H]1CCSC1 ZINC000354514028 299061387 /nfs/dbraw/zinc/06/13/87/299061387.db2.gz ZZKHXFHHZJJDRP-OAHLLOKOSA-N 1 3 342.553 0.956 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1=O ZINC000360829855 300029405 /nfs/dbraw/zinc/02/94/05/300029405.db2.gz BUCUCDDXLVEKSC-GPMSIDNRSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@@H](C(=O)N1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1)N(C)C ZINC000360849470 300032148 /nfs/dbraw/zinc/03/21/48/300032148.db2.gz AFUVKMXKYMOAGP-GJZGRUSLSA-N 1 3 326.485 0.728 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000361826467 300130586 /nfs/dbraw/zinc/13/05/86/300130586.db2.gz YAMYBOPWARTSCT-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000361826467 300130588 /nfs/dbraw/zinc/13/05/88/300130588.db2.gz YAMYBOPWARTSCT-HOTGVXAUSA-N 1 3 336.480 0.626 20 0 ECADHO CCN1CCN(CCCCNC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000362077732 300160811 /nfs/dbraw/zinc/16/08/11/300160811.db2.gz OHPYZAQIMMKQJS-QGZVFWFLSA-N 1 3 339.528 0.997 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(=O)N(C4CC4)C3)CC2)CC1 ZINC000363945068 300309832 /nfs/dbraw/zinc/30/98/32/300309832.db2.gz JGTVZAQLVZUAJJ-UHFFFAOYSA-N 1 3 349.479 0.519 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000364723546 300381912 /nfs/dbraw/zinc/38/19/12/300381912.db2.gz KQXZTDHHLSWQDO-GRDNDAEWSA-N 1 3 327.469 0.603 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000364723546 300381915 /nfs/dbraw/zinc/38/19/15/300381915.db2.gz KQXZTDHHLSWQDO-GRDNDAEWSA-N 1 3 327.469 0.603 20 0 ECADHO NC(=O)CC[C@@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000373895366 301086902 /nfs/dbraw/zinc/08/69/02/301086902.db2.gz XAAGQNMPKDAJJZ-HZPDHXFCSA-N 1 3 332.448 0.750 20 0 ECADHO NC(=O)CC[C@@H](N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000373895366 301086905 /nfs/dbraw/zinc/08/69/05/301086905.db2.gz XAAGQNMPKDAJJZ-HZPDHXFCSA-N 1 3 332.448 0.750 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375214912 301158846 /nfs/dbraw/zinc/15/88/46/301158846.db2.gz OGDGLFQERQVWOY-IXDOHACOSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375214912 301158848 /nfs/dbraw/zinc/15/88/48/301158848.db2.gz OGDGLFQERQVWOY-IXDOHACOSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000375214911 301158965 /nfs/dbraw/zinc/15/89/65/301158965.db2.gz OGDGLFQERQVWOY-IKGGRYGDSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375214911 301158969 /nfs/dbraw/zinc/15/89/69/301158969.db2.gz OGDGLFQERQVWOY-IKGGRYGDSA-N 1 3 337.512 0.748 20 0 ECADHO O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@H]1C[C@@H](O)CN1 ZINC000377128986 301323338 /nfs/dbraw/zinc/32/33/38/301323338.db2.gz SEFIAXYXCYOZOD-ZNMIVQPWSA-N 1 3 333.388 0.257 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000420407491 301466421 /nfs/dbraw/zinc/46/64/21/301466421.db2.gz UESXVAQAMXIMEF-ZDUSSCGKSA-N 1 3 329.470 0.092 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000519634488 301750154 /nfs/dbraw/zinc/75/01/54/301750154.db2.gz LMCIDJWIOMUWJA-GOEBONIOSA-N 1 3 340.431 0.647 20 0 ECADHO Cc1nn(C)c2ncc(C[NH2+]CCCN3CCC[C@H](C(N)=O)C3)cc12 ZINC000105474509 436574441 /nfs/dbraw/zinc/57/44/41/436574441.db2.gz VDMWSZSUEVRSCP-HNNXBMFYSA-N 1 3 344.463 0.954 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000535631345 302122116 /nfs/dbraw/zinc/12/21/16/302122116.db2.gz LCQJCQSUCZVXBW-RCCFBDPRSA-N 1 3 331.460 0.937 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000535631345 302122119 /nfs/dbraw/zinc/12/21/19/302122119.db2.gz LCQJCQSUCZVXBW-RCCFBDPRSA-N 1 3 331.460 0.937 20 0 ECADHO COCCN1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000114023668 436639519 /nfs/dbraw/zinc/63/95/19/436639519.db2.gz NHADUHPDYDHXBB-UHFFFAOYSA-N 1 3 342.484 0.507 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000195519254 436693867 /nfs/dbraw/zinc/69/38/67/436693867.db2.gz NRZPRIYTMBHYDD-GOSISDBHSA-N 1 3 333.476 0.980 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC2CCN(CCO)CC2)C1 ZINC000121033137 436706448 /nfs/dbraw/zinc/70/64/48/436706448.db2.gz AZUSLZFLNZGYIH-QGZVFWFLSA-N 1 3 340.512 0.968 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC2CCN(CCO)CC2)C1 ZINC000121033137 436706452 /nfs/dbraw/zinc/70/64/52/436706452.db2.gz AZUSLZFLNZGYIH-QGZVFWFLSA-N 1 3 340.512 0.968 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000119846146 436672554 /nfs/dbraw/zinc/67/25/54/436672554.db2.gz KCQWFXQGPHSUEV-JKSUJKDBSA-N 1 3 338.496 0.491 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000119846146 436672557 /nfs/dbraw/zinc/67/25/57/436672557.db2.gz KCQWFXQGPHSUEV-JKSUJKDBSA-N 1 3 338.496 0.491 20 0 ECADHO CCN(CCO)CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000248989604 436813482 /nfs/dbraw/zinc/81/34/82/436813482.db2.gz KVNNYACTKZXHMZ-BZUAXINKSA-N 1 3 328.501 0.966 20 0 ECADHO C[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)N(C)C1CC1 ZINC000154728801 436784399 /nfs/dbraw/zinc/78/43/99/436784399.db2.gz KMEAKSSGBJQOIH-CQSZACIVSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)N(C)C1CC1 ZINC000154728801 436784401 /nfs/dbraw/zinc/78/44/01/436784401.db2.gz KMEAKSSGBJQOIH-CQSZACIVSA-N 1 3 326.485 0.957 20 0 ECADHO C[C@H](NC[C@@H](O)CN1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248581033 436805434 /nfs/dbraw/zinc/80/54/34/436805434.db2.gz ORHQVFXBTNXHFE-LZLYRXPVSA-N 1 3 325.497 0.922 20 0 ECADHO C[C@H](NC[C@@H](O)CN1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248581033 436805436 /nfs/dbraw/zinc/80/54/36/436805436.db2.gz ORHQVFXBTNXHFE-LZLYRXPVSA-N 1 3 325.497 0.922 20 0 ECADHO C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248581033 436805440 /nfs/dbraw/zinc/80/54/40/436805440.db2.gz ORHQVFXBTNXHFE-LZLYRXPVSA-N 1 3 325.497 0.922 20 0 ECADHO COc1cc(CN(C)CCC(N)=O)cc(C[N@H+](C)CCC(N)=O)c1 ZINC000292957798 436839696 /nfs/dbraw/zinc/83/96/96/436839696.db2.gz AYZRMCLEXIRLRB-UHFFFAOYSA-N 1 3 336.436 0.310 20 0 ECADHO COc1cc(CN(C)CCC(N)=O)cc(C[N@@H+](C)CCC(N)=O)c1 ZINC000292957798 436839698 /nfs/dbraw/zinc/83/96/98/436839698.db2.gz AYZRMCLEXIRLRB-UHFFFAOYSA-N 1 3 336.436 0.310 20 0 ECADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261885960 436894329 /nfs/dbraw/zinc/89/43/29/436894329.db2.gz VAQFILHZDWVYDZ-SJORKVTESA-N 1 3 335.448 0.792 20 0 ECADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262400623 436930698 /nfs/dbraw/zinc/93/06/98/436930698.db2.gz OCSLNDKRKNXHDX-KGLIPLIRSA-N 1 3 327.494 0.577 20 0 ECADHO CC[N@@H+]1CC[C@@H](NCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000164247079 436931579 /nfs/dbraw/zinc/93/15/79/436931579.db2.gz ZBOLPCCNJKIGAQ-IAGOWNOFSA-N 1 3 332.496 0.919 20 0 ECADHO CC[N@H+]1CC[C@@H](NCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000164247079 436931581 /nfs/dbraw/zinc/93/15/81/436931581.db2.gz ZBOLPCCNJKIGAQ-IAGOWNOFSA-N 1 3 332.496 0.919 20 0 ECADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000262468703 436936081 /nfs/dbraw/zinc/93/60/81/436936081.db2.gz WORQEJVTVAHQLD-OKZBNKHCSA-N 1 3 346.475 0.204 20 0 ECADHO CN1CCC[C@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000299514227 437085238 /nfs/dbraw/zinc/08/52/38/437085238.db2.gz NGCJDFVGAWWMSH-KRWDZBQOSA-N 1 3 331.464 0.804 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331455577 437099330 /nfs/dbraw/zinc/09/93/30/437099330.db2.gz DKNJZNVMZVYWJT-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331455577 437099334 /nfs/dbraw/zinc/09/93/34/437099334.db2.gz DKNJZNVMZVYWJT-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccccc1=O ZINC000299713133 437104730 /nfs/dbraw/zinc/10/47/30/437104730.db2.gz JGISZBJKSQHSAH-MRXNPFEDSA-N 1 3 334.464 0.723 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccccc1=O ZINC000299713133 437104731 /nfs/dbraw/zinc/10/47/31/437104731.db2.gz JGISZBJKSQHSAH-MRXNPFEDSA-N 1 3 334.464 0.723 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000331511234 437110314 /nfs/dbraw/zinc/11/03/14/437110314.db2.gz RDUKYEOJLZVVGG-CVEARBPZSA-N 1 3 337.512 0.962 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000331511234 437110318 /nfs/dbraw/zinc/11/03/18/437110318.db2.gz RDUKYEOJLZVVGG-CVEARBPZSA-N 1 3 337.512 0.962 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1C ZINC000331712849 437149972 /nfs/dbraw/zinc/14/99/72/437149972.db2.gz LTCUQUZISWUMFX-FPCVCCKLSA-N 1 3 336.480 0.671 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN1C ZINC000331712849 437149974 /nfs/dbraw/zinc/14/99/74/437149974.db2.gz LTCUQUZISWUMFX-FPCVCCKLSA-N 1 3 336.480 0.671 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N2CCOCC2)[C@H](C)C1 ZINC000177833430 437200267 /nfs/dbraw/zinc/20/02/67/437200267.db2.gz ZHMWXKBRYCMMNU-SJORKVTESA-N 1 3 341.496 0.962 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N2CCOCC2)[C@H](C)C1 ZINC000177833430 437200271 /nfs/dbraw/zinc/20/02/71/437200271.db2.gz ZHMWXKBRYCMMNU-SJORKVTESA-N 1 3 341.496 0.962 20 0 ECADHO COCCCNC(=O)[C@H](C)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178980254 437246440 /nfs/dbraw/zinc/24/64/40/437246440.db2.gz IVSZALGGPLIJEY-HNNXBMFYSA-N 1 3 326.485 0.145 20 0 ECADHO CN1CCN(CCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC000277711736 437248189 /nfs/dbraw/zinc/24/81/89/437248189.db2.gz WORQEJVTVAHQLD-KSZLIROESA-N 1 3 346.475 0.204 20 0 ECADHO COCCN(C)CCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000267979710 437348787 /nfs/dbraw/zinc/34/87/87/437348787.db2.gz FLWHIEGKCWCXRO-UHFFFAOYSA-N 1 3 326.441 0.931 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000339580435 437474247 /nfs/dbraw/zinc/47/42/47/437474247.db2.gz RPSHZTNZYXGENI-HOTGVXAUSA-N 1 3 340.512 0.929 20 0 ECADHO CN(C)CCOCCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339581318 437474320 /nfs/dbraw/zinc/47/43/20/437474320.db2.gz BSNIAWJNEFKBIQ-UHFFFAOYSA-N 1 3 342.484 0.062 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000187935304 437518415 /nfs/dbraw/zinc/51/84/15/437518415.db2.gz FUCGLJGUDAGNDU-NXNVCVFFSA-N 1 3 339.480 0.711 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000360166592 437542340 /nfs/dbraw/zinc/54/23/40/437542340.db2.gz YSSPHNZYFSZWAT-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000360166592 437542341 /nfs/dbraw/zinc/54/23/41/437542341.db2.gz YSSPHNZYFSZWAT-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000360172429 437545850 /nfs/dbraw/zinc/54/58/50/437545850.db2.gz SPHMLJXBPSHWRP-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CCC1 ZINC000354688884 437646246 /nfs/dbraw/zinc/64/62/46/437646246.db2.gz SMPJFVBGKKKCNV-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000340513274 437680287 /nfs/dbraw/zinc/68/02/87/437680287.db2.gz XQHHQAGHGCCMRG-RDJZCZTQSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000340513274 437680294 /nfs/dbraw/zinc/68/02/94/437680294.db2.gz XQHHQAGHGCCMRG-RDJZCZTQSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)COC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343919595 437694470 /nfs/dbraw/zinc/69/44/70/437694470.db2.gz GMCJCONBRFMQFM-KSZLIROESA-N 1 3 327.513 0.978 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC2(C)CC[NH2+]CC2)CC1=O ZINC000193376214 437709016 /nfs/dbraw/zinc/70/90/16/437709016.db2.gz NXVVYPYVVWLMDA-HUUCEWRRSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000340985196 437768662 /nfs/dbraw/zinc/76/86/62/437768662.db2.gz IFYSCEJYTBSRFC-ZACQAIPSSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000340985196 437768664 /nfs/dbraw/zinc/76/86/64/437768664.db2.gz IFYSCEJYTBSRFC-ZACQAIPSSA-N 1 3 337.512 0.796 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000340804295 437739818 /nfs/dbraw/zinc/73/98/18/437739818.db2.gz SYBXUOCUJFWGHT-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000340804295 437739821 /nfs/dbraw/zinc/73/98/21/437739821.db2.gz SYBXUOCUJFWGHT-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCN([C@@H](C)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362566002 437742724 /nfs/dbraw/zinc/74/27/24/437742724.db2.gz WDMSFSITKAPCAE-KBPBESRZSA-N 1 3 334.468 0.242 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)NC[C@@H]2C)CC1=O ZINC000356370720 437761423 /nfs/dbraw/zinc/76/14/23/437761423.db2.gz OIDCKUBWULMWRX-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)NC[C@@H]2C)CC1=O ZINC000356370720 437761426 /nfs/dbraw/zinc/76/14/26/437761426.db2.gz OIDCKUBWULMWRX-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000423746391 437822591 /nfs/dbraw/zinc/82/25/91/437822591.db2.gz REKSECRHXOLPIR-DLBZAZTESA-N 1 3 338.496 0.384 20 0 ECADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000423746391 437822597 /nfs/dbraw/zinc/82/25/97/437822597.db2.gz REKSECRHXOLPIR-DLBZAZTESA-N 1 3 338.496 0.384 20 0 ECADHO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@H](C)CN)cc1 ZINC000415593982 437828363 /nfs/dbraw/zinc/82/83/63/437828363.db2.gz FVHAOURIKQYJIG-CYBMUJFWSA-N 1 3 336.436 0.809 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)C1 ZINC000415299485 437777840 /nfs/dbraw/zinc/77/78/40/437777840.db2.gz MUSSIBKRHZPNKJ-AWEZNQCLSA-N 1 3 334.420 0.386 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c(OCCN(C)C)c1 ZINC000415444805 437804819 /nfs/dbraw/zinc/80/48/19/437804819.db2.gz DRBNRRFYBXYLLL-OAHLLOKOSA-N 1 3 348.447 0.727 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000341161318 437805231 /nfs/dbraw/zinc/80/52/31/437805231.db2.gz PDEQJOVVHHMWMQ-KFWWJZLASA-N 1 3 339.484 0.356 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000341161318 437805237 /nfs/dbraw/zinc/80/52/37/437805237.db2.gz PDEQJOVVHHMWMQ-KFWWJZLASA-N 1 3 339.484 0.356 20 0 ECADHO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423711971 437809678 /nfs/dbraw/zinc/80/96/78/437809678.db2.gz NJRZKHCZIKRADO-SJORKVTESA-N 1 3 344.459 0.588 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C2CCCCC2)CC1 ZINC000423714805 437810530 /nfs/dbraw/zinc/81/05/30/437810530.db2.gz SWHVQSRPAWLWDA-INIZCTEOSA-N 1 3 336.480 0.722 20 0 ECADHO O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@H]1C[C@@H](O)CN1 ZINC000365157390 437866755 /nfs/dbraw/zinc/86/67/55/437866755.db2.gz SEFIAXYXCYOZOD-RRFJBIMHSA-N 1 3 333.388 0.257 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423771726 437830134 /nfs/dbraw/zinc/83/01/34/437830134.db2.gz IWNHAAZDEHWLKG-AWEZNQCLSA-N 1 3 338.477 0.507 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415669246 437838092 /nfs/dbraw/zinc/83/80/92/437838092.db2.gz FQFNNTVNOXETKF-GASCZTMLSA-N 1 3 330.432 0.407 20 0 ECADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415751150 437853260 /nfs/dbraw/zinc/85/32/60/437853260.db2.gz VJORVLYHSZWSPW-WFASDCNBSA-N 1 3 334.420 0.514 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c2)CC1 ZINC000415803384 437861474 /nfs/dbraw/zinc/86/14/74/437861474.db2.gz IHRVESBNRNFXDZ-ZIAGYGMSSA-N 1 3 347.463 0.619 20 0 ECADHO CC(C)(C)N1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1=O ZINC000424136897 437890512 /nfs/dbraw/zinc/89/05/12/437890512.db2.gz LGWGDAMDQNFRJF-INIZCTEOSA-N 1 3 340.512 0.366 20 0 ECADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424182198 437900300 /nfs/dbraw/zinc/90/03/00/437900300.db2.gz YYCRQGXKENGKQB-AWEZNQCLSA-N 1 3 342.403 0.937 20 0 ECADHO C[C@@H]1CC2(CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)CC[NH2+]CC2 ZINC000424221004 437903724 /nfs/dbraw/zinc/90/37/24/437903724.db2.gz BDHHMBSWNDXNMV-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000365617574 437940800 /nfs/dbraw/zinc/94/08/00/437940800.db2.gz NTLMZLWAEZUIHB-INIZCTEOSA-N 1 3 347.463 0.028 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000371556869 437956319 /nfs/dbraw/zinc/95/63/19/437956319.db2.gz HVPNVEQJZRMVEB-GJZGRUSLSA-N 1 3 328.457 0.117 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000371556869 437956324 /nfs/dbraw/zinc/95/63/24/437956324.db2.gz HVPNVEQJZRMVEB-GJZGRUSLSA-N 1 3 328.457 0.117 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000371657580 437971757 /nfs/dbraw/zinc/97/17/57/437971757.db2.gz IBFSZJJUTMMGCI-WMZOPIPTSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000371657580 437971762 /nfs/dbraw/zinc/97/17/62/437971762.db2.gz IBFSZJJUTMMGCI-WMZOPIPTSA-N 1 3 349.523 0.892 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000347984037 437988748 /nfs/dbraw/zinc/98/87/48/437988748.db2.gz VLPIDPNWMKBWOO-ARFHVFGLSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347984037 437988755 /nfs/dbraw/zinc/98/87/55/437988755.db2.gz VLPIDPNWMKBWOO-ARFHVFGLSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000341990860 437935950 /nfs/dbraw/zinc/93/59/50/437935950.db2.gz GRQHDFQZUIUIHE-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000341990860 437935955 /nfs/dbraw/zinc/93/59/55/437935955.db2.gz GRQHDFQZUIUIHE-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417193284 438029795 /nfs/dbraw/zinc/02/97/95/438029795.db2.gz LDMBERXHYHFRHI-GOSISDBHSA-N 1 3 347.507 0.754 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417429093 438049516 /nfs/dbraw/zinc/04/95/16/438049516.db2.gz MSBMTINGAXPDDH-CABCVRRESA-N 1 3 341.500 0.746 20 0 ECADHO CN(C)CCOc1cccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000416977545 438010800 /nfs/dbraw/zinc/01/08/00/438010800.db2.gz TZZPAJHSEWDJRE-MRXNPFEDSA-N 1 3 336.436 0.496 20 0 ECADHO CN(C)CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000416980487 438010917 /nfs/dbraw/zinc/01/09/17/438010917.db2.gz UJXDOUOACWJAJH-HUUCEWRRSA-N 1 3 325.501 0.829 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)CC[NH2+]1 ZINC000417947916 438095090 /nfs/dbraw/zinc/09/50/90/438095090.db2.gz IJFUUIZHSOQXNF-HIFRSBDPSA-N 1 3 335.452 0.962 20 0 ECADHO C[C@@H]1[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCCN1C ZINC000418002791 438100024 /nfs/dbraw/zinc/10/00/24/438100024.db2.gz MLKULEPNJGLEHN-RBSFLKMASA-N 1 3 339.484 0.498 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000417470533 438054677 /nfs/dbraw/zinc/05/46/77/438054677.db2.gz DWPTWLVOKZPVEI-MRXNPFEDSA-N 1 3 347.463 0.611 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000417567414 438061506 /nfs/dbraw/zinc/06/15/06/438061506.db2.gz NLJUGIMVSMPZFL-HNNXBMFYSA-N 1 3 342.484 0.413 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000417567415 438061812 /nfs/dbraw/zinc/06/18/12/438061812.db2.gz NLJUGIMVSMPZFL-OAHLLOKOSA-N 1 3 342.484 0.413 20 0 ECADHO Cn1ccnc1[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C1CC1 ZINC000342802997 438066562 /nfs/dbraw/zinc/06/65/62/438066562.db2.gz SRPFGXIEJWEBOC-QGZVFWFLSA-N 1 3 335.496 0.851 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000417755286 438076359 /nfs/dbraw/zinc/07/63/59/438076359.db2.gz XJMJUAKZJAWYBI-AEFFLSMTSA-N 1 3 339.528 0.949 20 0 ECADHO NC[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000430893046 438127949 /nfs/dbraw/zinc/12/79/49/438127949.db2.gz HNQVNQASFRCPHN-CVEARBPZSA-N 1 3 332.448 0.433 20 0 ECADHO NC[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000430893046 438127952 /nfs/dbraw/zinc/12/79/52/438127952.db2.gz HNQVNQASFRCPHN-CVEARBPZSA-N 1 3 332.448 0.433 20 0 ECADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418290124 438125589 /nfs/dbraw/zinc/12/55/89/438125589.db2.gz QJJGIKXIYTZOSS-INIZCTEOSA-N 1 3 341.500 0.034 20 0 ECADHO C[C@@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)CC[C@@H]1[NH3+] ZINC000430942711 438134555 /nfs/dbraw/zinc/13/45/55/438134555.db2.gz DMYSZBNHKAZMIE-CABCVRRESA-N 1 3 332.452 0.184 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418405201 438140123 /nfs/dbraw/zinc/14/01/23/438140123.db2.gz DFHMDFINJBCONK-HOTGVXAUSA-N 1 3 325.501 0.783 20 0 ECADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)[NH3+] ZINC000418421398 438142316 /nfs/dbraw/zinc/14/23/16/438142316.db2.gz CGEWVJVMRLTPLT-HNNXBMFYSA-N 1 3 349.479 0.312 20 0 ECADHO [NH3+]C[C@H](NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000418413269 438142659 /nfs/dbraw/zinc/14/26/59/438142659.db2.gz YWDRONMEPXKFPZ-WMZOPIPTSA-N 1 3 332.448 0.660 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418430446 438144077 /nfs/dbraw/zinc/14/40/77/438144077.db2.gz UTCWYRPUXDTSAX-HUUCEWRRSA-N 1 3 339.484 0.308 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418447267 438147185 /nfs/dbraw/zinc/14/71/85/438147185.db2.gz QKKODVBHIZNXBR-OAHLLOKOSA-N 1 3 341.500 0.555 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000349772213 438177803 /nfs/dbraw/zinc/17/78/03/438177803.db2.gz CGFWOSRDFQJLPY-INIZCTEOSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000418846582 438214451 /nfs/dbraw/zinc/21/44/51/438214451.db2.gz YMNWCYMVNIPDRR-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418855816 438221258 /nfs/dbraw/zinc/22/12/58/438221258.db2.gz VOTYPUYRKUGSNR-GOEBONIOSA-N 1 3 334.464 0.247 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C1 ZINC000418860454 438222219 /nfs/dbraw/zinc/22/22/19/438222219.db2.gz DZMCRVFBOYDGEF-GJZGRUSLSA-N 1 3 340.512 0.975 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862160 438223014 /nfs/dbraw/zinc/22/30/14/438223014.db2.gz AIBSHOGZUZYHBV-BJJXKVORSA-N 1 3 336.480 0.609 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862160 438223017 /nfs/dbraw/zinc/22/30/17/438223017.db2.gz AIBSHOGZUZYHBV-BJJXKVORSA-N 1 3 336.480 0.609 20 0 ECADHO CCn1cccc(CNC2CC[NH+](CCN3CCOCC3)CC2)c1=O ZINC000433052161 438223724 /nfs/dbraw/zinc/22/37/24/438223724.db2.gz KFVJHGCYIAHCFV-UHFFFAOYSA-N 1 3 348.491 0.754 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000418869063 438228631 /nfs/dbraw/zinc/22/86/31/438228631.db2.gz REXNTGNOASJGGG-CQSZACIVSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418873657 438230572 /nfs/dbraw/zinc/23/05/72/438230572.db2.gz IJRYRIRWZPBDPX-DJIMGWMZSA-N 1 3 346.475 0.471 20 0 ECADHO C[N@H+](C[C@@H](O)CN1CCOCC1)CC1CCN(c2ccncc2)CC1 ZINC000374837024 438231804 /nfs/dbraw/zinc/23/18/04/438231804.db2.gz HSUQNLVVJKSUIW-LJQANCHMSA-N 1 3 348.491 0.923 20 0 ECADHO C[N@@H+](C[C@@H](O)CN1CCOCC1)CC1CCN(c2ccncc2)CC1 ZINC000374837024 438231808 /nfs/dbraw/zinc/23/18/08/438231808.db2.gz HSUQNLVVJKSUIW-LJQANCHMSA-N 1 3 348.491 0.923 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418879157 438231854 /nfs/dbraw/zinc/23/18/54/438231854.db2.gz SGPYPAXXRSOQCY-DLBZAZTESA-N 1 3 346.475 0.391 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000418880983 438234032 /nfs/dbraw/zinc/23/40/32/438234032.db2.gz WKNISSCUCMEYFH-KRWDZBQOSA-N 1 3 344.459 0.311 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418883165 438234923 /nfs/dbraw/zinc/23/49/23/438234923.db2.gz ZZLYLEYPAQGHNB-HOCLYGCPSA-N 1 3 334.464 0.247 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000358517505 438244763 /nfs/dbraw/zinc/24/47/63/438244763.db2.gz CFDPXVQHTPDREJ-QAPCUYQASA-N 1 3 334.464 0.873 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433401588 438245004 /nfs/dbraw/zinc/24/50/04/438245004.db2.gz YTFABNDWUMCUBD-ZFWWWQNUSA-N 1 3 332.452 0.949 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418842258 438210057 /nfs/dbraw/zinc/21/00/57/438210057.db2.gz BEARIUMEKLRAFP-IKGGRYGDSA-N 1 3 344.459 0.096 20 0 ECADHO C[C@H]1CN(CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)CCCO1 ZINC000433467615 438254634 /nfs/dbraw/zinc/25/46/34/438254634.db2.gz RCSQGQGCZNLQGQ-GOEBONIOSA-N 1 3 330.473 0.099 20 0 ECADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)CC1 ZINC000433579843 438257381 /nfs/dbraw/zinc/25/73/81/438257381.db2.gz CQWXRBISUCSQTL-CQSZACIVSA-N 1 3 345.509 0.437 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N(C)Cc1ccccc1 ZINC000418946601 438262297 /nfs/dbraw/zinc/26/22/97/438262297.db2.gz NHSVTZIRKAKXJW-BFYDXBDKSA-N 1 3 346.475 0.737 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@@H+]1C ZINC000418969205 438268150 /nfs/dbraw/zinc/26/81/50/438268150.db2.gz VASMRZAKPRXCSO-MXASKKJJSA-N 1 3 344.459 0.539 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@H+]1C ZINC000418969205 438268153 /nfs/dbraw/zinc/26/81/53/438268153.db2.gz VASMRZAKPRXCSO-MXASKKJJSA-N 1 3 344.459 0.539 20 0 ECADHO CN(CCNS(C)(=O)=O)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376176512 438273091 /nfs/dbraw/zinc/27/30/91/438273091.db2.gz BSKTUFOQCFOUOW-UHFFFAOYSA-N 1 3 326.466 0.779 20 0 ECADHO CCCN(C(=O)C(=O)NCc1ccc(CN(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000418999128 438278586 /nfs/dbraw/zinc/27/85/86/438278586.db2.gz QMOSIPPRQSHUEK-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N[C@@H](CN)C2CC2)cc1 ZINC000419006247 438280576 /nfs/dbraw/zinc/28/05/76/438280576.db2.gz HOGCDNGEPIOPSO-KRWDZBQOSA-N 1 3 346.475 0.998 20 0 ECADHO CN(C)[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000351553531 438286577 /nfs/dbraw/zinc/28/65/77/438286577.db2.gz FFJJDUVFBSDEEB-JKSUJKDBSA-N 1 3 332.448 0.144 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419019397 438288344 /nfs/dbraw/zinc/28/83/44/438288344.db2.gz DISQZZDTNIOUSL-CQSZACIVSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419022861 438291541 /nfs/dbraw/zinc/29/15/41/438291541.db2.gz IVYIVLRBRLQAMW-WCVJEAGWSA-N 1 3 338.496 0.666 20 0 ECADHO CN1CC[C@]2(CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)C2)C1 ZINC000368140300 438292865 /nfs/dbraw/zinc/29/28/65/438292865.db2.gz KCMTYGSJSQVRPT-SFHVURJKSA-N 1 3 337.512 0.750 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419023934 438294433 /nfs/dbraw/zinc/29/44/33/438294433.db2.gz KLQFKNPCAIYHBL-RRFJBIMHSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419032379 438296799 /nfs/dbraw/zinc/29/67/99/438296799.db2.gz WJCGRJJQUMCUDF-FXUDXRNXSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419029223 438295215 /nfs/dbraw/zinc/29/52/15/438295215.db2.gz RHFRDSGCVBBGLX-QXSJWSMHSA-N 1 3 338.496 0.585 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419029207 438295341 /nfs/dbraw/zinc/29/53/41/438295341.db2.gz RGAUETJAGBCQEQ-RBSFLKMASA-N 1 3 326.485 0.857 20 0 ECADHO CN(CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C1CC1 ZINC000419107703 438323720 /nfs/dbraw/zinc/32/37/20/438323720.db2.gz PSMISBWSLJFQDA-JKSUJKDBSA-N 1 3 348.422 0.289 20 0 ECADHO CCOC(=O)COCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000351712228 438325146 /nfs/dbraw/zinc/32/51/46/438325146.db2.gz NVXQUFQKAOTYRS-HZPDHXFCSA-N 1 3 327.469 0.524 20 0 ECADHO CCOC(=O)COCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000351712228 438325149 /nfs/dbraw/zinc/32/51/49/438325149.db2.gz NVXQUFQKAOTYRS-HZPDHXFCSA-N 1 3 327.469 0.524 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419111195 438325592 /nfs/dbraw/zinc/32/55/92/438325592.db2.gz SWRHFWWSDZMGOR-GDBMZVCRSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419143364 438346234 /nfs/dbraw/zinc/34/62/34/438346234.db2.gz WZGWHUVFSSBFNT-ARFHVFGLSA-N 1 3 332.448 0.792 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000419136870 438341535 /nfs/dbraw/zinc/34/15/35/438341535.db2.gz OEQXFLTYHJJCLJ-IAGOWNOFSA-N 1 3 344.459 0.895 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000419136876 438341734 /nfs/dbraw/zinc/34/17/34/438341734.db2.gz OEQXFLTYHJJCLJ-SJORKVTESA-N 1 3 344.459 0.895 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419080902 438314168 /nfs/dbraw/zinc/31/41/68/438314168.db2.gz QODNSQACMIYMLH-CABCVRRESA-N 1 3 326.485 0.857 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1=CCN(C)CC1 ZINC000351677013 438315412 /nfs/dbraw/zinc/31/54/12/438315412.db2.gz WBTJAYLPXVCYGO-NUEKZKHPSA-N 1 3 336.480 0.742 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420099840 438388554 /nfs/dbraw/zinc/38/85/54/438388554.db2.gz YYUFGGOHOYWTAG-UHFFFAOYSA-N 1 3 326.485 0.810 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000420130829 438389181 /nfs/dbraw/zinc/38/91/81/438389181.db2.gz WNXSKZBNBOIZMX-ZNMIVQPWSA-N 1 3 326.485 0.999 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420159051 438391256 /nfs/dbraw/zinc/39/12/56/438391256.db2.gz HPKVPQYUJYUPOB-QLFBSQMISA-N 1 3 338.496 0.679 20 0 ECADHO CCN(CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1)C1CC1 ZINC000359252262 438393812 /nfs/dbraw/zinc/39/38/12/438393812.db2.gz OSKRXKWSSNZJDL-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000351859242 438350487 /nfs/dbraw/zinc/35/04/87/438350487.db2.gz GCGJWURQEAYBHL-JKSUJKDBSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419229129 438351134 /nfs/dbraw/zinc/35/11/34/438351134.db2.gz NTPYYXZIAPVNSP-DJIMGWMZSA-N 1 3 344.459 0.491 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000419251148 438351923 /nfs/dbraw/zinc/35/19/23/438351923.db2.gz ZSRKYUIVVYXTIP-ZBFHGGJFSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419425382 438357031 /nfs/dbraw/zinc/35/70/31/438357031.db2.gz PPBDPZBYAIYNQS-MGPQQGTHSA-N 1 3 340.468 0.206 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000359111862 438358339 /nfs/dbraw/zinc/35/83/39/438358339.db2.gz AGGLDSWXQTXAIT-FHLIZLRMSA-N 1 3 331.460 0.720 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000359111862 438358342 /nfs/dbraw/zinc/35/83/42/438358342.db2.gz AGGLDSWXQTXAIT-FHLIZLRMSA-N 1 3 331.460 0.720 20 0 ECADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000419413995 438358493 /nfs/dbraw/zinc/35/84/93/438358493.db2.gz DRUBUQKDUBZGEN-DLBZAZTESA-N 1 3 344.459 0.889 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419695313 438367491 /nfs/dbraw/zinc/36/74/91/438367491.db2.gz KWSYRQDXAXYMIM-OWCLPIDISA-N 1 3 336.480 0.291 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)[NH+]1CCCCC1 ZINC000419714654 438368579 /nfs/dbraw/zinc/36/85/79/438368579.db2.gz ODUQTWHQPRJVTE-PMPSAXMXSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000419778789 438371646 /nfs/dbraw/zinc/37/16/46/438371646.db2.gz MPHNUHNKYDQBQT-MRXNPFEDSA-N 1 3 332.448 0.349 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419776460 438372327 /nfs/dbraw/zinc/37/23/27/438372327.db2.gz MDQPCYQAGUCXOX-ILXRZTDVSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000419907530 438377797 /nfs/dbraw/zinc/37/77/97/438377797.db2.gz XOTGOJDHIHPOMG-JYJNAYRXSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000420023546 438381094 /nfs/dbraw/zinc/38/10/94/438381094.db2.gz AQVGRCRZKAFMHL-MELADBBJSA-N 1 3 340.468 0.016 20 0 ECADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000420023546 438381099 /nfs/dbraw/zinc/38/10/99/438381099.db2.gz AQVGRCRZKAFMHL-MELADBBJSA-N 1 3 340.468 0.016 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420075721 438386471 /nfs/dbraw/zinc/38/64/71/438386471.db2.gz UAQYYBSDBPOAJX-IJEWVQPXSA-N 1 3 338.496 0.999 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C1CC1 ZINC000359259036 438396070 /nfs/dbraw/zinc/39/60/70/438396070.db2.gz FXRBFIFTMDFWSW-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000359325987 438412725 /nfs/dbraw/zinc/41/27/25/438412725.db2.gz UPEFECFKCCCCCO-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000359325987 438412728 /nfs/dbraw/zinc/41/27/28/438412728.db2.gz UPEFECFKCCCCCO-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)CCOc1cnccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000359723586 438485183 /nfs/dbraw/zinc/48/51/83/438485183.db2.gz LJUUTNSCMAQDNK-HNNXBMFYSA-N 1 3 335.452 0.868 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N(C)CCN(C)C1CC1)[NH+]1CCCCC1 ZINC000359738990 438486456 /nfs/dbraw/zinc/48/64/56/438486456.db2.gz YSZNDBLNMRSTJZ-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000438885199 438488692 /nfs/dbraw/zinc/48/86/92/438488692.db2.gz SKLCPFWPPHCRED-ZBFHGGJFSA-N 1 3 330.432 0.875 20 0 ECADHO COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000438885199 438488695 /nfs/dbraw/zinc/48/86/95/438488695.db2.gz SKLCPFWPPHCRED-ZBFHGGJFSA-N 1 3 330.432 0.875 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000398115856 438452268 /nfs/dbraw/zinc/45/22/68/438452268.db2.gz FQPMXFBVBXCJJM-GDBMZVCRSA-N 1 3 342.447 0.877 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000422272127 438540747 /nfs/dbraw/zinc/54/07/47/438540747.db2.gz RMWKORXMGILXOW-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@@H]1C ZINC000422113681 438520730 /nfs/dbraw/zinc/52/07/30/438520730.db2.gz IADIISNSVQNGJF-HRCADAONSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@@H]1C ZINC000422113681 438520733 /nfs/dbraw/zinc/52/07/33/438520733.db2.gz IADIISNSVQNGJF-HRCADAONSA-N 1 3 338.496 0.870 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422111690 438521290 /nfs/dbraw/zinc/52/12/90/438521290.db2.gz YLADDGKKFBGLIF-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000422148064 438529041 /nfs/dbraw/zinc/52/90/41/438529041.db2.gz MUWLTFSQVHOKGZ-SJORKVTESA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000422148064 438529042 /nfs/dbraw/zinc/52/90/42/438529042.db2.gz MUWLTFSQVHOKGZ-SJORKVTESA-N 1 3 339.528 0.994 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422305436 438549287 /nfs/dbraw/zinc/54/92/87/438549287.db2.gz JZUXXBXLDNTBPC-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422305436 438549290 /nfs/dbraw/zinc/54/92/90/438549290.db2.gz JZUXXBXLDNTBPC-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000422454342 438572747 /nfs/dbraw/zinc/57/27/47/438572747.db2.gz LTKZUVUPCPPWJN-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000422454342 438572748 /nfs/dbraw/zinc/57/27/48/438572748.db2.gz LTKZUVUPCPPWJN-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000440976864 438573548 /nfs/dbraw/zinc/57/35/48/438573548.db2.gz IRLVZEMVGFTOIT-JKSUJKDBSA-N 1 3 337.512 0.938 20 0 ECADHO CN1CCN(CCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000440976864 438573551 /nfs/dbraw/zinc/57/35/51/438573551.db2.gz IRLVZEMVGFTOIT-JKSUJKDBSA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)C(=O)N1CCC([NH2+]CCN2CCN(C)C(C)(C)C2)CC1 ZINC000441379240 438583872 /nfs/dbraw/zinc/58/38/72/438583872.db2.gz IZPCYDGIFDNQDY-UHFFFAOYSA-N 1 3 325.501 0.748 20 0 ECADHO COCCNS(=O)(=O)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422933504 438617988 /nfs/dbraw/zinc/61/79/88/438617988.db2.gz HWIBUWGTXCXABO-ZBFHGGJFSA-N 1 3 341.477 0.828 20 0 ECADHO CC(C)[C@H](CN(C)C(=O)/C=C/CN(C)C)NC(=O)/C=C\C[NH+](C)C ZINC000493356399 438620445 /nfs/dbraw/zinc/62/04/45/438620445.db2.gz RGUSYYPVYKAJLN-QVBPUALTSA-N 1 3 338.496 0.821 20 0 ECADHO CC(C)[C@H](CN(C)C(=O)/C=C/C[NH+](C)C)NC(=O)/C=C\CN(C)C ZINC000493356399 438620447 /nfs/dbraw/zinc/62/04/47/438620447.db2.gz RGUSYYPVYKAJLN-QVBPUALTSA-N 1 3 338.496 0.821 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)C[C@H](C)N1C(=O)/C=C\CN(C)C ZINC000493700944 438642792 /nfs/dbraw/zinc/64/27/92/438642792.db2.gz YQQTWDWLNBRYTL-RQBLAGOISA-N 1 3 336.480 0.670 20 0 ECADHO C[C@@H]1CN(C(=O)/C=C\CN(C)C)C[C@H](C)N1C(=O)/C=C\C[NH+](C)C ZINC000493700944 438642793 /nfs/dbraw/zinc/64/27/93/438642793.db2.gz YQQTWDWLNBRYTL-RQBLAGOISA-N 1 3 336.480 0.670 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C[C@H]1C ZINC000410738260 438649305 /nfs/dbraw/zinc/64/93/05/438649305.db2.gz WDDUXZAIWJTUFO-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C[C@H]1C ZINC000410738260 438649308 /nfs/dbraw/zinc/64/93/08/438649308.db2.gz WDDUXZAIWJTUFO-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000411034875 438670546 /nfs/dbraw/zinc/67/05/46/438670546.db2.gz YJNAMTGMHHKLSB-INIZCTEOSA-N 1 3 338.496 0.728 20 0 ECADHO CC(CCN(C)[C@@H]1CCN(C)C1=O)CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000411293026 438673903 /nfs/dbraw/zinc/67/39/03/438673903.db2.gz NOOLDZZMTQIGTF-HZPDHXFCSA-N 1 3 338.496 0.728 20 0 ECADHO CC(CCN(C)[C@@H]1CCN(C)C1=O)CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000411293026 438673908 /nfs/dbraw/zinc/67/39/08/438673908.db2.gz NOOLDZZMTQIGTF-HZPDHXFCSA-N 1 3 338.496 0.728 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000447444681 438676548 /nfs/dbraw/zinc/67/65/48/438676548.db2.gz XIVNZQUMLIRQOZ-GJZGRUSLSA-N 1 3 348.447 0.686 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000423582429 438691358 /nfs/dbraw/zinc/69/13/58/438691358.db2.gz XIYRWJBCUWUYEN-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CN1C1CC1 ZINC000414181052 438699481 /nfs/dbraw/zinc/69/94/81/438699481.db2.gz BSDUEJZEIQBMDX-DLBZAZTESA-N 1 3 336.524 0.998 20 0 ECADHO CN(C)C(=O)N1CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C(C)(C)C1 ZINC000414750134 438716258 /nfs/dbraw/zinc/71/62/58/438716258.db2.gz ZMNFRPQTTTZXPJ-CQSZACIVSA-N 1 3 339.484 0.262 20 0 ECADHO COCC1(C(=O)NC[C@@H](O)CN2CCC(C)CC2)CC[NH2+]CC1 ZINC000574873706 438725166 /nfs/dbraw/zinc/72/51/66/438725166.db2.gz GUNHNHQWACIHAI-OAHLLOKOSA-N 1 3 327.469 0.212 20 0 ECADHO C[C@@H](CCC[NH3+])NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000415021222 438725793 /nfs/dbraw/zinc/72/57/93/438725793.db2.gz KFFYNCIAASCESY-AWEZNQCLSA-N 1 3 341.477 0.925 20 0 ECADHO CCOC(=O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553334060 438749972 /nfs/dbraw/zinc/74/99/72/438749972.db2.gz CVKNWIFNRHYYSN-UHFFFAOYSA-N 1 3 325.453 0.862 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000576861116 438802134 /nfs/dbraw/zinc/80/21/34/438802134.db2.gz ZQBDQKPLNVWFMT-GDBMZVCRSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)C1 ZINC000558281591 438806994 /nfs/dbraw/zinc/80/69/94/438806994.db2.gz UKJXXDMRAGXLEC-OAGGEKHMSA-N 1 3 340.512 0.879 20 0 ECADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000576135081 438769893 /nfs/dbraw/zinc/76/98/93/438769893.db2.gz DAWTWFQZYUIFMX-HNNXBMFYSA-N 1 3 325.501 0.653 20 0 ECADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000556676473 438785742 /nfs/dbraw/zinc/78/57/42/438785742.db2.gz JDKPXOJOLRACRE-UHFFFAOYSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000556676473 438785744 /nfs/dbraw/zinc/78/57/44/438785744.db2.gz JDKPXOJOLRACRE-UHFFFAOYSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)CN1CCN(C)CC1 ZINC000576514794 438787159 /nfs/dbraw/zinc/78/71/59/438787159.db2.gz BBCAMYJVCBLZCD-YLJYHZDGSA-N 1 3 344.503 0.917 20 0 ECADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCNC[C@@H]1c1ccncc1 ZINC000514728541 438827849 /nfs/dbraw/zinc/82/78/49/438827849.db2.gz TUBBZCRKWMWHLX-XJKSGUPXSA-N 1 3 326.404 0.668 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000577370467 438835508 /nfs/dbraw/zinc/83/55/08/438835508.db2.gz JVDBZPPLNAEXAW-CABCVRRESA-N 1 3 326.485 0.727 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000578175191 438903030 /nfs/dbraw/zinc/90/30/30/438903030.db2.gz NLESQWIPFGAWFC-MAUKXSAKSA-N 1 3 336.480 0.437 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000516345627 438903052 /nfs/dbraw/zinc/90/30/52/438903052.db2.gz HFHNRZKNOHSYKG-XOUADPBQSA-N 1 3 334.464 0.280 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000516345627 438903054 /nfs/dbraw/zinc/90/30/54/438903054.db2.gz HFHNRZKNOHSYKG-XOUADPBQSA-N 1 3 334.464 0.280 20 0 ECADHO CN1CCN(C[C@@H](O)C[NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000577722454 438863678 /nfs/dbraw/zinc/86/36/78/438863678.db2.gz SCDGQMCYUDJFDC-IRXDYDNUSA-N 1 3 336.480 0.614 20 0 ECADHO Cc1cc(N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)n2ncnc2n1 ZINC000515373717 438865467 /nfs/dbraw/zinc/86/54/67/438865467.db2.gz LHQQLDFRVOKIPM-ZFWWWQNUSA-N 1 3 329.452 0.943 20 0 ECADHO C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000458282375 438868910 /nfs/dbraw/zinc/86/89/10/438868910.db2.gz MAKNHNIHSKGMHE-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000578638259 438941414 /nfs/dbraw/zinc/94/14/14/438941414.db2.gz NIXXVNQPJHABRV-OAHLLOKOSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000517097592 438951218 /nfs/dbraw/zinc/95/12/18/438951218.db2.gz BZOFCTBNECKMMI-GOSISDBHSA-N 1 3 345.491 0.937 20 0 ECADHO CC[NH+](CC)CCOC1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000459367866 438960100 /nfs/dbraw/zinc/96/01/00/438960100.db2.gz VPJFKSWQFRQBOR-CQSZACIVSA-N 1 3 340.468 0.750 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC[N@@H+]1C ZINC000578925238 438964809 /nfs/dbraw/zinc/96/48/09/438964809.db2.gz ZZKGBHIONANVDN-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC[N@H+]1C ZINC000578925238 438964822 /nfs/dbraw/zinc/96/48/22/438964822.db2.gz ZZKGBHIONANVDN-BZUAXINKSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC[N@@H+]1C ZINC000578925244 438965565 /nfs/dbraw/zinc/96/55/65/438965565.db2.gz ZZKGBHIONANVDN-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC[N@H+]1C ZINC000578925244 438965569 /nfs/dbraw/zinc/96/55/69/438965569.db2.gz ZZKGBHIONANVDN-PMPSAXMXSA-N 1 3 336.480 0.672 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000579110955 438981862 /nfs/dbraw/zinc/98/18/62/438981862.db2.gz MTEALRZURVMFPG-DLBZAZTESA-N 1 3 348.495 0.978 20 0 ECADHO COCCCNC(=O)[C@@H](C)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000518381583 438994879 /nfs/dbraw/zinc/99/48/79/438994879.db2.gz WTWLIKKAVVOUPI-SJORKVTESA-N 1 3 340.512 0.535 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000566068857 439003226 /nfs/dbraw/zinc/00/32/26/439003226.db2.gz HJSSIYULAAQRPU-LSDHHAIUSA-N 1 3 346.475 0.793 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459367030 438960327 /nfs/dbraw/zinc/96/03/27/438960327.db2.gz UYNPVMOCJFZUPU-KBPBESRZSA-N 1 3 326.441 0.359 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c(OCCN(C)C)c1 ZINC000519648060 439050076 /nfs/dbraw/zinc/05/00/76/439050076.db2.gz METFMBYOEOLQKY-ZDUSSCGKSA-N 1 3 334.420 0.352 20 0 ECADHO O=C(NC[C@@H]1CNCCO1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000580054513 439058399 /nfs/dbraw/zinc/05/83/99/439058399.db2.gz ISCAFVWYOXJKBO-KSZLIROESA-N 1 3 344.459 0.748 20 0 ECADHO O=C(NC[C@@H]1CNCCO1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000580054513 439058402 /nfs/dbraw/zinc/05/84/02/439058402.db2.gz ISCAFVWYOXJKBO-KSZLIROESA-N 1 3 344.459 0.748 20 0 ECADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000460034584 439062332 /nfs/dbraw/zinc/06/23/32/439062332.db2.gz SIWMGEHQYIVYKQ-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)CCn1ccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)n1 ZINC000566193272 439019729 /nfs/dbraw/zinc/01/97/29/439019729.db2.gz FUPNPTYGKVSGSX-AWEZNQCLSA-N 1 3 331.424 0.818 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCOC[C@H]2CCCO2)C1)[C@H]1CCC[NH2+]1 ZINC000566244345 439032567 /nfs/dbraw/zinc/03/25/67/439032567.db2.gz TYFBHAPWIPLKKM-GVDBMIGSSA-N 1 3 339.480 0.762 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000580541198 439101828 /nfs/dbraw/zinc/10/18/28/439101828.db2.gz MOMLTWSWCVIPSQ-GJZGRUSLSA-N 1 3 336.480 0.387 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000566974252 439103913 /nfs/dbraw/zinc/10/39/13/439103913.db2.gz WTRIIKRUNYJGSQ-LLVKDONJSA-N 1 3 331.486 0.467 20 0 ECADHO CN(C)CCN(C)C(=O)[C@H]1CC[C@H](C(=O)N(C)CC[NH+](C)C)CC1 ZINC000478877198 439109157 /nfs/dbraw/zinc/10/91/57/439109157.db2.gz UUYAUJDPFXDIEV-WKILWMFISA-N 1 3 340.512 0.833 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000580633259 439113554 /nfs/dbraw/zinc/11/35/54/439113554.db2.gz RSHFRFOPJYFKAI-OAHLLOKOSA-N 1 3 326.485 0.871 20 0 ECADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000580163815 439068109 /nfs/dbraw/zinc/06/81/09/439068109.db2.gz WZJDGBAFGHTXOD-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000567147088 439119837 /nfs/dbraw/zinc/11/98/37/439119837.db2.gz NDIKVGPHOWRRNK-HOTGVXAUSA-N 1 3 325.501 0.925 20 0 ECADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000567147088 439119840 /nfs/dbraw/zinc/11/98/40/439119840.db2.gz NDIKVGPHOWRRNK-HOTGVXAUSA-N 1 3 325.501 0.925 20 0 ECADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)C[C@H](O)C[NH3+] ZINC000567276505 439128640 /nfs/dbraw/zinc/12/86/40/439128640.db2.gz LFWDAFBEYXMZHF-CRAIPNDOSA-N 1 3 348.491 0.407 20 0 ECADHO C[C@@H]1[C@H](NC(=O)NCCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000567362015 439136682 /nfs/dbraw/zinc/13/66/82/439136682.db2.gz HPGQNHOFBMKFNF-SJLPKXTDSA-N 1 3 345.491 0.854 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000567490859 439146690 /nfs/dbraw/zinc/14/66/90/439146690.db2.gz MXZOIRANUWQGCF-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487667425 439157826 /nfs/dbraw/zinc/15/78/26/439157826.db2.gz YVABMEJMNIUSEB-HZPDHXFCSA-N 1 3 342.484 0.242 20 0 ECADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487667421 439158782 /nfs/dbraw/zinc/15/87/82/439158782.db2.gz YVABMEJMNIUSEB-CVEARBPZSA-N 1 3 342.484 0.242 20 0 ECADHO CC(C)N1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000523005837 439159829 /nfs/dbraw/zinc/15/98/29/439159829.db2.gz JVMXWRNNDMDLQA-UHFFFAOYSA-N 1 3 325.501 0.750 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000581145618 439177032 /nfs/dbraw/zinc/17/70/32/439177032.db2.gz HQMRLKDXNZCPBQ-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000581145618 439177035 /nfs/dbraw/zinc/17/70/35/439177035.db2.gz HQMRLKDXNZCPBQ-BRWVUGGUSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000582052224 439284903 /nfs/dbraw/zinc/28/49/03/439284903.db2.gz YKBJALBYFPRWFI-SJLPKXTDSA-N 1 3 345.491 0.854 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1=O ZINC000581610411 439235656 /nfs/dbraw/zinc/23/56/56/439235656.db2.gz MWENZFIGNPWOQR-HRCADAONSA-N 1 3 336.480 0.245 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592958904 439321563 /nfs/dbraw/zinc/32/15/63/439321563.db2.gz NRQSPCGEDUCUOD-KGLIPLIRSA-N 1 3 335.452 0.560 20 0 ECADHO CN1CCC[N@H+](CCCNC(=O)CCCCN2CCOCC2)CC1 ZINC000603899531 439289792 /nfs/dbraw/zinc/28/97/92/439289792.db2.gz VRJBMKAYICSEPQ-UHFFFAOYSA-N 1 3 340.512 0.633 20 0 ECADHO CN1CCC[N@@H+](CCCNC(=O)CCCCN2CCOCC2)CC1 ZINC000603899531 439289798 /nfs/dbraw/zinc/28/97/98/439289798.db2.gz VRJBMKAYICSEPQ-UHFFFAOYSA-N 1 3 340.512 0.633 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000568974383 439292821 /nfs/dbraw/zinc/29/28/21/439292821.db2.gz NGQJJUNPFAAJOT-KFWWJZLASA-N 1 3 329.452 0.928 20 0 ECADHO CN(C)[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])Cc1ccccc1 ZINC000582230516 439305386 /nfs/dbraw/zinc/30/53/86/439305386.db2.gz ATEMJSWWJOWXJQ-IAGOWNOFSA-N 1 3 333.480 0.444 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCNC(C)=O)CC2)CC1 ZINC000569119702 439306623 /nfs/dbraw/zinc/30/66/23/439306623.db2.gz XGXMBIUXAOTMGI-UHFFFAOYSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000569566608 439343000 /nfs/dbraw/zinc/34/30/00/439343000.db2.gz BSIAXHGBNZXOKQ-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000569909073 439373233 /nfs/dbraw/zinc/37/32/33/439373233.db2.gz KLYAYZLVBGAKEH-UHFFFAOYSA-N 1 3 330.432 0.825 20 0 ECADHO COC[C@]1(C(=O)NC2CCN(CCOC(C)C)CC2)CC[NH2+]C1 ZINC000582843429 439386029 /nfs/dbraw/zinc/38/60/29/439386029.db2.gz BSAIOQLFKFXHBS-KRWDZBQOSA-N 1 3 327.469 0.618 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000583309913 439446927 /nfs/dbraw/zinc/44/69/27/439446927.db2.gz UYRYWSRSBQMIDL-UHFFFAOYSA-N 1 3 336.411 0.820 20 0 ECADHO CC(C)[C@](C)(CNC(=O)/C=C\C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000491892800 439469243 /nfs/dbraw/zinc/46/92/43/439469243.db2.gz MELZVAXIEAEANJ-XRVGWRPJSA-N 1 3 338.496 0.869 20 0 ECADHO CC(C)[C@](C)(CNC(=O)/C=C\CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000491892800 439469244 /nfs/dbraw/zinc/46/92/44/439469244.db2.gz MELZVAXIEAEANJ-XRVGWRPJSA-N 1 3 338.496 0.869 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000571180235 439481490 /nfs/dbraw/zinc/48/14/90/439481490.db2.gz FAFGTMWWBBPDME-UHFFFAOYSA-N 1 3 338.496 0.956 20 0 ECADHO CN1CCN(c2ncc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)CC1 ZINC000571327231 439495072 /nfs/dbraw/zinc/49/50/72/439495072.db2.gz SFONLULPJPTDJU-CALCHBBNSA-N 1 3 330.480 0.660 20 0 ECADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C(=O)NC1C[NH2+]C1 ZINC000572467384 439585946 /nfs/dbraw/zinc/58/59/46/439585946.db2.gz JCISYCGFFRDDDZ-LBPRGKRZSA-N 1 3 336.461 0.164 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000584541711 439600369 /nfs/dbraw/zinc/60/03/69/439600369.db2.gz VTYXFDMTBGFIGA-DOTOQJQBSA-N 1 3 346.475 0.473 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](O)[C@H](OC)C3)CC2)CC1 ZINC000572780386 439608930 /nfs/dbraw/zinc/60/89/30/439608930.db2.gz IOPZJDCLHXYBKF-IAGOWNOFSA-N 1 3 339.480 0.401 20 0 ECADHO N[C@H]1C[C@H]2CN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)CCN2C1=O ZINC000572901308 439615152 /nfs/dbraw/zinc/61/51/52/439615152.db2.gz JBHFMSMUOYZPKI-JYJNAYRXSA-N 1 3 345.447 0.420 20 0 ECADHO N[C@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)[C@H](C[NH3+])CCC4)CCN2C1=O ZINC000594880764 439638812 /nfs/dbraw/zinc/63/88/12/439638812.db2.gz XKJMXUMZSGMZGC-UXLLHSPISA-N 1 3 342.443 0.449 20 0 ECADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573724479 439663627 /nfs/dbraw/zinc/66/36/27/439663627.db2.gz VSPGMURZMYJKNU-ZNMIVQPWSA-N 1 3 325.453 0.990 20 0 ECADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573089310 439626614 /nfs/dbraw/zinc/62/66/14/439626614.db2.gz JYCXGUYBSXUWFI-VBQJREDUSA-N 1 3 337.468 0.251 20 0 ECADHO CN1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000574384344 439701467 /nfs/dbraw/zinc/70/14/67/439701467.db2.gz CIZFHWGUDKKORV-DLBZAZTESA-N 1 3 331.464 0.636 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@](C)(O)CO)CC2)CC1 ZINC000574583921 439714635 /nfs/dbraw/zinc/71/46/35/439714635.db2.gz RJJQKPZXVFHWLB-QGZVFWFLSA-N 1 3 327.469 0.042 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000595263601 439685005 /nfs/dbraw/zinc/68/50/05/439685005.db2.gz HJKZCWCNBKOMOW-CABCVRRESA-N 1 3 337.468 0.204 20 0 ECADHO CCOC(=O)c1csc(CC[NH2+]C[C@H](O)CN2CCCC2)n1 ZINC000600732730 439696624 /nfs/dbraw/zinc/69/66/24/439696624.db2.gz DVIMKKNTKSTMFB-LBPRGKRZSA-N 1 3 327.450 0.909 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000612971086 439747520 /nfs/dbraw/zinc/74/75/20/439747520.db2.gz MNIDKCNCAQDWAM-HOTGVXAUSA-N 1 3 335.496 0.550 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC000612546836 439727590 /nfs/dbraw/zinc/72/75/90/439727590.db2.gz WCQMMISNRSMJNW-HRCADAONSA-N 1 3 338.496 0.918 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC000612546836 439727592 /nfs/dbraw/zinc/72/75/92/439727592.db2.gz WCQMMISNRSMJNW-HRCADAONSA-N 1 3 338.496 0.918 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000611838362 439731557 /nfs/dbraw/zinc/73/15/57/439731557.db2.gz JTAFJZSUTQLSCX-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000611838362 439731560 /nfs/dbraw/zinc/73/15/60/439731560.db2.gz JTAFJZSUTQLSCX-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000611838362 439731561 /nfs/dbraw/zinc/73/15/61/439731561.db2.gz JTAFJZSUTQLSCX-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)[C@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1O ZINC000615078843 439793345 /nfs/dbraw/zinc/79/33/45/439793345.db2.gz BVDJQTVHUXOGRF-BZSNNMDCSA-N 1 3 331.460 0.999 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)CC[N@@H+]1C ZINC000652460977 439860142 /nfs/dbraw/zinc/86/01/42/439860142.db2.gz LDKNABXIDAGNGL-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)CC[N@H+]1C ZINC000652460977 439860148 /nfs/dbraw/zinc/86/01/48/439860148.db2.gz LDKNABXIDAGNGL-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)n1 ZINC000662750856 439871371 /nfs/dbraw/zinc/87/13/71/439871371.db2.gz UUPFXFVIAQILCL-KRWDZBQOSA-N 1 3 327.388 0.188 20 0 ECADHO C[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H]([NH3+])c1ccccc1 ZINC000662658996 439837712 /nfs/dbraw/zinc/83/77/12/439837712.db2.gz HIELZGOMDOLGCP-YOEHRIQHSA-N 1 3 334.464 0.801 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000652424451 439843040 /nfs/dbraw/zinc/84/30/40/439843040.db2.gz PRHMUUNLPHNDLY-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000652424451 439843047 /nfs/dbraw/zinc/84/30/47/439843047.db2.gz PRHMUUNLPHNDLY-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652459335 439855141 /nfs/dbraw/zinc/85/51/41/439855141.db2.gz IZJCKJXWKVMQFW-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652459335 439855150 /nfs/dbraw/zinc/85/51/50/439855150.db2.gz IZJCKJXWKVMQFW-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cn[n-]c3[C@@H]3CC[NH2+]C3)cc2C1 ZINC000662764528 439881703 /nfs/dbraw/zinc/88/17/03/439881703.db2.gz QFNLTUFUPGRHFL-ZYHUDNBSSA-N 1 3 326.404 0.950 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662719142 439858007 /nfs/dbraw/zinc/85/80/07/439858007.db2.gz BJJGQIWZEYXBFG-CABCVRRESA-N 1 3 332.452 0.807 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000652545948 439888266 /nfs/dbraw/zinc/88/82/66/439888266.db2.gz QMTHSXOXOBXBAC-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO O=C(NCCN1CC[C@@H](O)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000636475652 439894544 /nfs/dbraw/zinc/89/45/44/439894544.db2.gz ZLEPKSSMTREZCV-DLBZAZTESA-N 1 3 332.448 0.627 20 0 ECADHO O=C(NCCN1CC[C@@H](O)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000636475652 439894551 /nfs/dbraw/zinc/89/45/51/439894551.db2.gz ZLEPKSSMTREZCV-DLBZAZTESA-N 1 3 332.448 0.627 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000662803107 439895441 /nfs/dbraw/zinc/89/54/41/439895441.db2.gz VKBANTUOXXVFKA-BZSNNMDCSA-N 1 3 347.459 0.758 20 0 ECADHO CC[NH+]1CCC(N(C)S(=O)(=O)CCCN2CCN(C)CC2)CC1 ZINC000631711388 439897017 /nfs/dbraw/zinc/89/70/17/439897017.db2.gz MWYZXVPARSIGTL-UHFFFAOYSA-N 1 3 346.541 0.370 20 0 ECADHO COc1ccc2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n2n1 ZINC000617507630 439898675 /nfs/dbraw/zinc/89/86/75/439898675.db2.gz CZSZEMCYCHWFHU-ZDUSSCGKSA-N 1 3 348.451 0.740 20 0 ECADHO COc1ccc2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n2n1 ZINC000617507630 439898680 /nfs/dbraw/zinc/89/86/80/439898680.db2.gz CZSZEMCYCHWFHU-ZDUSSCGKSA-N 1 3 348.451 0.740 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000617507385 439901056 /nfs/dbraw/zinc/90/10/56/439901056.db2.gz UMXQONZLJMGHMQ-LSDHHAIUSA-N 1 3 335.496 0.913 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000617507385 439901063 /nfs/dbraw/zinc/90/10/63/439901063.db2.gz UMXQONZLJMGHMQ-LSDHHAIUSA-N 1 3 335.496 0.913 20 0 ECADHO NCc1cn([C@H]2CCCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)C2)nn1 ZINC000662813568 439901107 /nfs/dbraw/zinc/90/11/07/439901107.db2.gz KXDRGZXIJZVSCN-WCQYABFASA-N 1 3 346.357 0.442 20 0 ECADHO C(CN1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1)N1CCOCC1 ZINC000641786112 439912749 /nfs/dbraw/zinc/91/27/49/439912749.db2.gz NYRLPSMCQQUXGK-FHWLQOOXSA-N 1 3 336.524 0.999 20 0 ECADHO C(CN1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1)N1CCOCC1 ZINC000641786112 439912754 /nfs/dbraw/zinc/91/27/54/439912754.db2.gz NYRLPSMCQQUXGK-FHWLQOOXSA-N 1 3 336.524 0.999 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662859470 439914779 /nfs/dbraw/zinc/91/47/79/439914779.db2.gz NEKCQYXNDSJTEV-SCTDSRPQSA-N 1 3 329.444 0.869 20 0 ECADHO COC[C@]1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC[NH2+]C1 ZINC000662859722 439916031 /nfs/dbraw/zinc/91/60/31/439916031.db2.gz NVSVDTMGPOMUPN-MJGOQNOKSA-N 1 3 347.459 0.496 20 0 ECADHO C[C@H](CNC(=O)N1CCN(C)C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000641808689 439921502 /nfs/dbraw/zinc/92/15/02/439921502.db2.gz OWAZIXDEXZBLER-OAHLLOKOSA-N 1 3 325.501 0.606 20 0 ECADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000631909691 439970331 /nfs/dbraw/zinc/97/03/31/439970331.db2.gz METVRLZAHOYHGY-UHFFFAOYSA-N 1 3 339.465 0.132 20 0 ECADHO CCN(CC[NH3+])C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000626958826 439971221 /nfs/dbraw/zinc/97/12/21/439971221.db2.gz RQXRSRXZYNUFTJ-UHFFFAOYSA-N 1 3 334.468 0.584 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642431174 439980185 /nfs/dbraw/zinc/98/01/85/439980185.db2.gz MMFWWXGSWRRARF-ARFHVFGLSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000642439486 439981523 /nfs/dbraw/zinc/98/15/23/439981523.db2.gz IUMXUORXYVOXJH-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000652722926 439943635 /nfs/dbraw/zinc/94/36/35/439943635.db2.gz DHQLBMQMLNHPHG-INIZCTEOSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000642048650 439944137 /nfs/dbraw/zinc/94/41/37/439944137.db2.gz ATQBMEPCLKCZCS-KBXCAEBGSA-N 1 3 332.448 0.621 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642104429 439948403 /nfs/dbraw/zinc/94/84/03/439948403.db2.gz MSCGDCYSFWDQGG-DLBZAZTESA-N 1 3 346.475 0.534 20 0 ECADHO CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000626900427 439948960 /nfs/dbraw/zinc/94/89/60/439948960.db2.gz PSXBVDIBBJODCH-HOTGVXAUSA-N 1 3 346.431 0.496 20 0 ECADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662941119 439955908 /nfs/dbraw/zinc/95/59/08/439955908.db2.gz NQEGPEOIFZZPAW-SYJJWHGVSA-N 1 3 334.464 0.126 20 0 ECADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662941119 439955914 /nfs/dbraw/zinc/95/59/14/439955914.db2.gz NQEGPEOIFZZPAW-SYJJWHGVSA-N 1 3 334.464 0.126 20 0 ECADHO CC(C)([NH3+])CC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663015360 439990060 /nfs/dbraw/zinc/99/00/60/439990060.db2.gz UEBOFQRXPXSYIW-ZDUSSCGKSA-N 1 3 334.468 0.653 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCC(C)CC1 ZINC000642644500 439995716 /nfs/dbraw/zinc/99/57/16/439995716.db2.gz UERIPYNVDSDZRN-OAGGEKHMSA-N 1 3 336.480 0.433 20 0 ECADHO COCCNCCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627083374 440004586 /nfs/dbraw/zinc/00/45/86/440004586.db2.gz RITDVCIIADXDGU-QWRGUYRKSA-N 1 3 326.363 0.391 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000636738799 440018198 /nfs/dbraw/zinc/01/81/98/440018198.db2.gz FJEWAIIWYXAHCH-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000627012034 439988239 /nfs/dbraw/zinc/98/82/39/439988239.db2.gz PBKWABFJFJZOTM-RRQGHBQHSA-N 1 3 332.448 0.803 20 0 ECADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015752 439988640 /nfs/dbraw/zinc/98/86/40/439988640.db2.gz YBNKULOWISXMFX-XJKSGUPXSA-N 1 3 348.495 0.899 20 0 ECADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@H](CO)CN1CCCCC1 ZINC000647535787 440065253 /nfs/dbraw/zinc/06/52/53/440065253.db2.gz MYVZXAMLPHRQNN-RBUKOAKNSA-N 1 3 335.492 0.916 20 0 ECADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@H](CO)CN1CCCCC1 ZINC000647535787 440065259 /nfs/dbraw/zinc/06/52/59/440065259.db2.gz MYVZXAMLPHRQNN-RBUKOAKNSA-N 1 3 335.492 0.916 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653109103 440065484 /nfs/dbraw/zinc/06/54/84/440065484.db2.gz TYMUBXGBKMOREC-YJBOKZPZSA-N 1 3 333.432 0.479 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653119457 440071335 /nfs/dbraw/zinc/07/13/35/440071335.db2.gz KOQHHWVHLJHTGW-CVEARBPZSA-N 1 3 336.480 0.576 20 0 ECADHO CC(CCN1CCNC(=O)C[C@@H]1C)CC[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000663437617 440074101 /nfs/dbraw/zinc/07/41/01/440074101.db2.gz IIQCFAAXLRIKEQ-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO CC(CCN1CCNC(=O)C[C@@H]1C)CC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000663437617 440074108 /nfs/dbraw/zinc/07/41/08/440074108.db2.gz IIQCFAAXLRIKEQ-HOTGVXAUSA-N 1 3 338.496 0.824 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000636875396 440075983 /nfs/dbraw/zinc/07/59/83/440075983.db2.gz ZBFFZLKUJZGNGK-HNNXBMFYSA-N 1 3 337.468 0.078 20 0 ECADHO C[C@@]1(CN2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]C1 ZINC000663512462 440089597 /nfs/dbraw/zinc/08/95/97/440089597.db2.gz MVUUZKHGYKLYIT-MAUKXSAKSA-N 1 3 332.496 0.998 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)C[NH2+]1 ZINC000627201461 440044003 /nfs/dbraw/zinc/04/40/03/440044003.db2.gz HUAKMFGMSVDUDP-YVSFHVDLSA-N 1 3 337.512 0.794 20 0 ECADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000642900410 440053917 /nfs/dbraw/zinc/05/39/17/440053917.db2.gz WXKZGQFWSQPQOA-WFVVYAPDSA-N 1 3 348.491 0.863 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)[C@@H]2C1 ZINC000627231395 440057450 /nfs/dbraw/zinc/05/74/50/440057450.db2.gz LMBUNNUFLIARHE-VHDGCEQUSA-N 1 3 333.440 0.048 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000642908447 440057714 /nfs/dbraw/zinc/05/77/14/440057714.db2.gz RSDCWENNJBBMKN-YQQAZPJKSA-N 1 3 346.475 0.961 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627311929 440116298 /nfs/dbraw/zinc/11/62/98/440116298.db2.gz KRXBNXBWFMSPNJ-QLFBSQMISA-N 1 3 338.496 0.870 20 0 ECADHO CCN(CC)CC(=O)N[C@@]1(C)CCN(C(=O)C[NH+](CC)CC)C1 ZINC000647728371 440129586 /nfs/dbraw/zinc/12/95/86/440129586.db2.gz BIKKZMYUTPJOMV-KRWDZBQOSA-N 1 3 326.485 0.777 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@](C)(NC(=O)C[NH+](CC)CC)C1 ZINC000647728371 440129592 /nfs/dbraw/zinc/12/95/92/440129592.db2.gz BIKKZMYUTPJOMV-KRWDZBQOSA-N 1 3 326.485 0.777 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653374175 440139175 /nfs/dbraw/zinc/13/91/75/440139175.db2.gz ATJUXGFAFJIHSJ-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000653374175 440139178 /nfs/dbraw/zinc/13/91/78/440139178.db2.gz ATJUXGFAFJIHSJ-HNNXBMFYSA-N 1 3 336.480 0.531 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000618307711 440101317 /nfs/dbraw/zinc/10/13/17/440101317.db2.gz QFXINRFIKNIFKK-UHFFFAOYSA-N 1 3 340.512 0.977 20 0 ECADHO CCO[C@@H]1CN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C[C@H]1C[NH3+] ZINC000653247945 440103299 /nfs/dbraw/zinc/10/32/99/440103299.db2.gz YWUCQXVQMUHLCE-QFRSUPTLSA-N 1 3 325.453 0.341 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C[C@@H]2CSCCN2)C1 ZINC000653260728 440105955 /nfs/dbraw/zinc/10/59/55/440105955.db2.gz KGDXVZMGVSLZRL-TUVASFSCSA-N 1 3 327.494 0.969 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627311927 440115621 /nfs/dbraw/zinc/11/56/21/440115621.db2.gz KRXBNXBWFMSPNJ-ILXRZTDVSA-N 1 3 338.496 0.870 20 0 ECADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000653429825 440169010 /nfs/dbraw/zinc/16/90/10/440169010.db2.gz OMKQAHLKIPKQQQ-HNNXBMFYSA-N 1 3 338.496 0.847 20 0 ECADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000653429825 440169015 /nfs/dbraw/zinc/16/90/15/440169015.db2.gz OMKQAHLKIPKQQQ-HNNXBMFYSA-N 1 3 338.496 0.847 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643471739 440177935 /nfs/dbraw/zinc/17/79/35/440177935.db2.gz IXANQTXBGVEXDB-AWEZNQCLSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000643498742 440189547 /nfs/dbraw/zinc/18/95/47/440189547.db2.gz OBTKCJLJPBFKAM-GOEBONIOSA-N 1 3 336.480 0.659 20 0 ECADHO C[C@H](Cn1cncn1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663888748 440190487 /nfs/dbraw/zinc/19/04/87/440190487.db2.gz CLYAILKHQLVRMV-UONOGXRCSA-N 1 3 325.461 0.238 20 0 ECADHO C[C@H](Cn1cncn1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663888748 440190493 /nfs/dbraw/zinc/19/04/93/440190493.db2.gz CLYAILKHQLVRMV-UONOGXRCSA-N 1 3 325.461 0.238 20 0 ECADHO C[C@@H](CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[NH+](C)C ZINC000663915718 440194255 /nfs/dbraw/zinc/19/42/55/440194255.db2.gz HZGCJOXRNISORI-GJZGRUSLSA-N 1 3 341.500 0.569 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643516633 440194827 /nfs/dbraw/zinc/19/48/27/440194827.db2.gz CSBLXACFPIBBMU-RKVPGOIHSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C[NH2+]1 ZINC000627427864 440197532 /nfs/dbraw/zinc/19/75/32/440197532.db2.gz PGIQFXRUIBMFKI-QLFBSQMISA-N 1 3 336.480 0.766 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000627358071 440148818 /nfs/dbraw/zinc/14/88/18/440148818.db2.gz ZXVUQIMSSXNYPD-UHFFFAOYSA-N 1 3 332.448 0.358 20 0 ECADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647987277 440208751 /nfs/dbraw/zinc/20/87/51/440208751.db2.gz CCOLIYXAASDKAK-CVEARBPZSA-N 1 3 336.480 0.437 20 0 ECADHO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2ccncc2)CC1 ZINC000643591514 440215783 /nfs/dbraw/zinc/21/57/83/440215783.db2.gz BATWUFNHZPKQAN-CABCVRRESA-N 1 3 343.431 0.083 20 0 ECADHO CN1CCN(CC2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)CC1 ZINC000648034690 440217824 /nfs/dbraw/zinc/21/78/24/440217824.db2.gz BIERSJKHACPWRI-KRWDZBQOSA-N 1 3 332.496 0.884 20 0 ECADHO O=C(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000643593786 440218013 /nfs/dbraw/zinc/21/80/13/440218013.db2.gz QPDLFJQRGDNTQV-IXDOHACOSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000643594601 440218958 /nfs/dbraw/zinc/21/89/58/440218958.db2.gz XAPLTSOWSMBXIO-JYJNAYRXSA-N 1 3 336.480 0.387 20 0 ECADHO CO[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@](C)(CO)C1 ZINC000637265490 440220421 /nfs/dbraw/zinc/22/04/21/440220421.db2.gz QWTKKKLNYNJAAE-UXLLHSPISA-N 1 3 344.500 0.440 20 0 ECADHO CO[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@](C)(CO)C1 ZINC000637265490 440220429 /nfs/dbraw/zinc/22/04/29/440220429.db2.gz QWTKKKLNYNJAAE-UXLLHSPISA-N 1 3 344.500 0.440 20 0 ECADHO COc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)on1 ZINC000637264169 440220809 /nfs/dbraw/zinc/22/08/09/440220809.db2.gz KVTWMMPTYXBELH-LBPRGKRZSA-N 1 3 327.429 0.754 20 0 ECADHO COc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)on1 ZINC000637264169 440220815 /nfs/dbraw/zinc/22/08/15/440220815.db2.gz KVTWMMPTYXBELH-LBPRGKRZSA-N 1 3 327.429 0.754 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659077427 440228594 /nfs/dbraw/zinc/22/85/94/440228594.db2.gz DGPXLQUXJYQFNU-CZUORRHYSA-N 1 3 348.447 0.742 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000627478500 440231326 /nfs/dbraw/zinc/23/13/26/440231326.db2.gz NUPZLHBPKXVDDC-JJXSEGSLSA-N 1 3 336.480 0.717 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000643531855 440203719 /nfs/dbraw/zinc/20/37/19/440203719.db2.gz PSYBEPHWRRXJFL-HZPDHXFCSA-N 1 3 330.432 0.279 20 0 ECADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000627439325 440206083 /nfs/dbraw/zinc/20/60/83/440206083.db2.gz GKYPTYUNKYYSBE-HUUCEWRRSA-N 1 3 334.464 0.474 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627442400 440206714 /nfs/dbraw/zinc/20/67/14/440206714.db2.gz IXAVTAKQHSIAOI-DZGCQCFKSA-N 1 3 336.480 0.576 20 0 ECADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647987280 440207186 /nfs/dbraw/zinc/20/71/86/440207186.db2.gz CCOLIYXAASDKAK-JKSUJKDBSA-N 1 3 336.480 0.437 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659105562 440252544 /nfs/dbraw/zinc/25/25/44/440252544.db2.gz PTNFIJZMDPRAHP-UHFFFAOYSA-N 1 3 346.431 0.434 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000659159307 440264401 /nfs/dbraw/zinc/26/44/01/440264401.db2.gz NIFJYODVHXIFKO-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CCO[C@@H]1COCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664659995 440351398 /nfs/dbraw/zinc/35/13/98/440351398.db2.gz XZRCFKDWEXZSTP-ARFHVFGLSA-N 1 3 344.500 0.752 20 0 ECADHO CCO[C@@H]1COCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664659995 440351403 /nfs/dbraw/zinc/35/14/03/440351403.db2.gz XZRCFKDWEXZSTP-ARFHVFGLSA-N 1 3 344.500 0.752 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000659529786 440355890 /nfs/dbraw/zinc/35/58/90/440355890.db2.gz MYDYONKCMCXPGJ-UHFFFAOYSA-N 1 3 327.473 0.038 20 0 ECADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659546491 440360233 /nfs/dbraw/zinc/36/02/33/440360233.db2.gz CKEMEUIDWZFTCR-FVQHAEBGSA-N 1 3 329.448 0.811 20 0 ECADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)NC[C@H]1CNCCO1 ZINC000659555130 440360923 /nfs/dbraw/zinc/36/09/23/440360923.db2.gz LRAILTDWMKUIOO-MRXNPFEDSA-N 1 3 340.468 0.165 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659559603 440364963 /nfs/dbraw/zinc/36/49/63/440364963.db2.gz FJXSSGHNLBPDBA-UHFFFAOYSA-N 1 3 349.479 0.567 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000659603159 440371522 /nfs/dbraw/zinc/37/15/22/440371522.db2.gz UVFOMQAAVCQJFB-LBPRGKRZSA-N 1 3 348.451 0.847 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000659603159 440371529 /nfs/dbraw/zinc/37/15/29/440371529.db2.gz UVFOMQAAVCQJFB-LBPRGKRZSA-N 1 3 348.451 0.847 20 0 ECADHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCCN3CC[C@H](O)C3)C2)cc1 ZINC000637716577 440329228 /nfs/dbraw/zinc/32/92/28/440329228.db2.gz JTLGDTCSHQCPFB-MSOLQXFVSA-N 1 3 346.475 0.935 20 0 ECADHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCCN3CC[C@H](O)C3)C2)cc1 ZINC000637716577 440329231 /nfs/dbraw/zinc/32/92/31/440329231.db2.gz JTLGDTCSHQCPFB-MSOLQXFVSA-N 1 3 346.475 0.935 20 0 ECADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629996 440380746 /nfs/dbraw/zinc/38/07/46/440380746.db2.gz KITIDAVVLSWDGX-YPMHNXCESA-N 1 3 334.424 0.409 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000659633130 440387737 /nfs/dbraw/zinc/38/77/37/440387737.db2.gz PXOVZZVZQUILKF-ZDUSSCGKSA-N 1 3 334.424 0.411 20 0 ECADHO CN1CCC(n2cc(NC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000633000914 440404784 /nfs/dbraw/zinc/40/47/84/440404784.db2.gz SUTBYYGPEQIOID-ZDUSSCGKSA-N 1 3 348.451 0.347 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000659739554 440476116 /nfs/dbraw/zinc/47/61/16/440476116.db2.gz XFODLMXXTSMYGH-MRXNPFEDSA-N 1 3 332.448 0.574 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644225685 440478306 /nfs/dbraw/zinc/47/83/06/440478306.db2.gz JGLVNCFFTYOVPE-CWRNSKLLSA-N 1 3 330.432 0.183 20 0 ECADHO O=C(C(=O)N1CCCN(CC2CCCCC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633082767 440432270 /nfs/dbraw/zinc/43/22/70/440432270.db2.gz QZRLGTTXDJSYGH-IRXDYDNUSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)CC[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000638096765 440434343 /nfs/dbraw/zinc/43/43/43/440434343.db2.gz LQCBMUYQLHGDCF-LSDHHAIUSA-N 1 3 326.485 0.809 20 0 ECADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633083509 440435724 /nfs/dbraw/zinc/43/57/24/440435724.db2.gz WGDYMYCKLYLNJI-HOTGVXAUSA-N 1 3 348.422 0.289 20 0 ECADHO CN(C)CCOc1ccc(CCNC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638103163 440436333 /nfs/dbraw/zinc/43/63/33/440436333.db2.gz KZYAQZMBFATDJT-UHFFFAOYSA-N 1 3 334.464 0.191 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000659704481 440439998 /nfs/dbraw/zinc/43/99/98/440439998.db2.gz NCKMWSWFVUPHJE-KGLIPLIRSA-N 1 3 334.464 0.956 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000644103183 440443251 /nfs/dbraw/zinc/44/32/51/440443251.db2.gz JDGSEIAKGJGMPZ-ZDUSSCGKSA-N 1 3 327.392 0.496 20 0 ECADHO CC(C)CC[C@@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000638113818 440443659 /nfs/dbraw/zinc/44/36/59/440443659.db2.gz VQVPPEMBNGWXPG-OAHLLOKOSA-N 1 3 326.485 0.809 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)C(C)C ZINC000659711144 440446306 /nfs/dbraw/zinc/44/63/06/440446306.db2.gz XCQJCWAFBQCOEJ-CABCVRRESA-N 1 3 326.485 0.807 20 0 ECADHO C[C@@H]1CCC[C@@](CNC(=O)CN2CCCC[C@H](N)C2=O)([NH+](C)C)C1 ZINC000649304969 440448471 /nfs/dbraw/zinc/44/84/71/440448471.db2.gz SJPXOYLKQKVWEE-RVKKMQEKSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000659713939 440448917 /nfs/dbraw/zinc/44/89/17/440448917.db2.gz RRGACDKGWXXYHP-CABCVRRESA-N 1 3 332.448 0.792 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000659713939 440448923 /nfs/dbraw/zinc/44/89/23/440448923.db2.gz RRGACDKGWXXYHP-CABCVRRESA-N 1 3 332.448 0.792 20 0 ECADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000649310829 440453797 /nfs/dbraw/zinc/45/37/97/440453797.db2.gz FUCGLJGUDAGNDU-MUIFIZLQSA-N 1 3 339.480 0.711 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659721633 440458091 /nfs/dbraw/zinc/45/80/91/440458091.db2.gz KAWUGPNYRXRKRQ-IIAWOOMASA-N 1 3 336.480 0.624 20 0 ECADHO COc1cccc([C@H](N)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000638137585 440459460 /nfs/dbraw/zinc/45/94/60/440459460.db2.gz LWINQQNIJWQKLD-YOEHRIQHSA-N 1 3 334.464 0.695 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000659750501 440489097 /nfs/dbraw/zinc/48/90/97/440489097.db2.gz CIMJIXRXLCJNBG-CYBMUJFWSA-N 1 3 338.427 0.440 20 0 ECADHO CC1(C)CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCN1 ZINC000638271081 440493755 /nfs/dbraw/zinc/49/37/55/440493755.db2.gz RKGPNWYTYMWEGF-SECBINFHSA-N 1 3 328.367 0.574 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(=O)NC(C)(C)C ZINC000665639952 440511918 /nfs/dbraw/zinc/51/19/18/440511918.db2.gz JPVLYSAKPHELOO-UONOGXRCSA-N 1 3 343.516 0.861 20 0 ECADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(=O)NC(C)(C)C ZINC000665639952 440511922 /nfs/dbraw/zinc/51/19/22/440511922.db2.gz JPVLYSAKPHELOO-UONOGXRCSA-N 1 3 343.516 0.861 20 0 ECADHO C[C@@]1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CNCCO1 ZINC000638342052 440518190 /nfs/dbraw/zinc/51/81/90/440518190.db2.gz AEAOFFVDLCEOEQ-SFHVURJKSA-N 1 3 346.475 0.475 20 0 ECADHO CN1CCN(CCCC[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638360110 440520097 /nfs/dbraw/zinc/52/00/97/440520097.db2.gz OVTXCUDTIBLDED-UHFFFAOYSA-N 1 3 326.529 0.839 20 0 ECADHO CN1CCN(CCCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638358827 440521675 /nfs/dbraw/zinc/52/16/75/440521675.db2.gz CTABIRQIIMTCMM-UHFFFAOYSA-N 1 3 340.493 0.451 20 0 ECADHO COC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@H](C)O1 ZINC000665761762 440524373 /nfs/dbraw/zinc/52/43/73/440524373.db2.gz PFKSAHKHELBBPW-JYJNAYRXSA-N 1 3 344.500 0.704 20 0 ECADHO COC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@H](C)O1 ZINC000665761762 440524376 /nfs/dbraw/zinc/52/43/76/440524376.db2.gz PFKSAHKHELBBPW-JYJNAYRXSA-N 1 3 344.500 0.704 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000665762010 440525278 /nfs/dbraw/zinc/52/52/78/440525278.db2.gz XJABJQLFWXIZNQ-SOUVJXGZSA-N 1 3 330.473 0.050 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000665762010 440525279 /nfs/dbraw/zinc/52/52/79/440525279.db2.gz XJABJQLFWXIZNQ-SOUVJXGZSA-N 1 3 330.473 0.050 20 0 ECADHO C[C@@H](O)[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665764146 440529535 /nfs/dbraw/zinc/52/95/35/440529535.db2.gz WBRBVVRLAGJJJW-RRFJBIMHSA-N 1 3 330.473 0.050 20 0 ECADHO C[C@@H](O)[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665764146 440529541 /nfs/dbraw/zinc/52/95/41/440529541.db2.gz WBRBVVRLAGJJJW-RRFJBIMHSA-N 1 3 330.473 0.050 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCc4[nH]cnc4C3)C2)CC1 ZINC000633865438 440557503 /nfs/dbraw/zinc/55/75/03/440557503.db2.gz NDNQHULIFAKANL-UONOGXRCSA-N 1 3 346.479 0.735 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCc4[nH]cnc4C3)C2)CC1 ZINC000633865438 440557510 /nfs/dbraw/zinc/55/75/10/440557510.db2.gz NDNQHULIFAKANL-UONOGXRCSA-N 1 3 346.479 0.735 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000638527602 440561586 /nfs/dbraw/zinc/56/15/86/440561586.db2.gz VLWMVVHAEAQOFE-CABCVRRESA-N 1 3 334.420 0.280 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655447641 440565168 /nfs/dbraw/zinc/56/51/68/440565168.db2.gz BKDOWZIHVTYAAG-QAPCUYQASA-N 1 3 336.480 0.435 20 0 ECADHO [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439102 440538921 /nfs/dbraw/zinc/53/89/21/440538921.db2.gz HBXFRZGIPVBFLF-HUUCEWRRSA-N 1 3 344.463 0.573 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000638643708 440595470 /nfs/dbraw/zinc/59/54/70/440595470.db2.gz IFBATOSUGNDNJS-HNNXBMFYSA-N 1 3 325.501 0.925 20 0 ECADHO COCCC[NH+]1CCC(NC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000644540805 440638291 /nfs/dbraw/zinc/63/82/91/440638291.db2.gz CGATZDCVQMDVPJ-JZXOWHBKSA-N 1 3 343.512 0.547 20 0 ECADHO CN1CCC(CNCc2cnc(N)nc2N)([NH+]2CCCCC2)CC1 ZINC000638692516 440603859 /nfs/dbraw/zinc/60/38/59/440603859.db2.gz ICMCTNZGISOVFF-UHFFFAOYSA-N 1 3 333.484 0.342 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1(C)C ZINC000638985109 440657254 /nfs/dbraw/zinc/65/72/54/440657254.db2.gz YSWYGOYEXKLTMT-KDOFPFPSSA-N 1 3 347.463 0.962 20 0 ECADHO Cc1cc(NC(=O)CC[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)no1 ZINC000644562028 440646268 /nfs/dbraw/zinc/64/62/68/440646268.db2.gz OTFRPLAPKOCBEH-AWEZNQCLSA-N 1 3 335.452 1.070 20 0 ECADHO O[C@@]1(CNCCc2nnc3n2CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000634700574 440693138 /nfs/dbraw/zinc/69/31/38/440693138.db2.gz BOJIKPNTORYTAQ-LJQANCHMSA-N 1 3 341.459 0.993 20 0 ECADHO O[C@@]1(CNCCc2nnc3n2CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700574 440693145 /nfs/dbraw/zinc/69/31/45/440693145.db2.gz BOJIKPNTORYTAQ-LJQANCHMSA-N 1 3 341.459 0.993 20 0 ECADHO Cn1nccc1CC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000634688593 440687940 /nfs/dbraw/zinc/68/79/40/440687940.db2.gz XDXPWILHLUDTQN-OAHLLOKOSA-N 1 3 343.479 0.975 20 0 ECADHO Cn1nccc1CC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000634688593 440687945 /nfs/dbraw/zinc/68/79/45/440687945.db2.gz XDXPWILHLUDTQN-OAHLLOKOSA-N 1 3 343.479 0.975 20 0 ECADHO CO[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCOC1 ZINC000639262311 440700212 /nfs/dbraw/zinc/70/02/12/440700212.db2.gz XNYNPPRNJBMWRG-IAGOWNOFSA-N 1 3 341.496 0.424 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656303214 440755199 /nfs/dbraw/zinc/75/51/99/440755199.db2.gz HNSXFXHAFTVLNT-QXSJWSMHSA-N 1 3 338.496 0.679 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656300299 440755882 /nfs/dbraw/zinc/75/58/82/440755882.db2.gz NVNKXHNHPPNPMX-VQHPVUNQSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656300299 440755885 /nfs/dbraw/zinc/75/58/85/440755885.db2.gz NVNKXHNHPPNPMX-VQHPVUNQSA-N 1 3 348.491 0.863 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)CC1(O)CCOCC1 ZINC000639550357 440741251 /nfs/dbraw/zinc/74/12/51/440741251.db2.gz OOMPKKYDCCRYIT-QGZVFWFLSA-N 1 3 343.512 0.237 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)CC1(O)CCOCC1 ZINC000639550357 440741255 /nfs/dbraw/zinc/74/12/55/440741255.db2.gz OOMPKKYDCCRYIT-QGZVFWFLSA-N 1 3 343.512 0.237 20 0 ECADHO C[NH+]1CCC2(CCN(CC(=O)NCCCN3CCCC3=O)C2)CC1 ZINC000639759908 440787277 /nfs/dbraw/zinc/78/72/77/440787277.db2.gz NPDSWHCGULMSGP-UHFFFAOYSA-N 1 3 336.480 0.533 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639944086 440835427 /nfs/dbraw/zinc/83/54/27/440835427.db2.gz IRRGJRUYORAEPZ-HDICACEKSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)N1CCN(CCC[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639944086 440835430 /nfs/dbraw/zinc/83/54/30/440835430.db2.gz IRRGJRUYORAEPZ-HDICACEKSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CN(C[C@H](O)C[C@](C)(O)C2CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000630044952 440847008 /nfs/dbraw/zinc/84/70/08/440847008.db2.gz PEPOFEBLXGXZGD-OWYHZJEWSA-N 1 3 339.524 0.856 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC000635482064 440866252 /nfs/dbraw/zinc/86/62/52/440866252.db2.gz FVCJNZLUCYZEJH-MRXNPFEDSA-N 1 3 346.475 0.936 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000635482064 440866259 /nfs/dbraw/zinc/86/62/59/440866259.db2.gz FVCJNZLUCYZEJH-MRXNPFEDSA-N 1 3 346.475 0.936 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1nncn1C ZINC000656540360 440816000 /nfs/dbraw/zinc/81/60/00/440816000.db2.gz GJIYHFAMYAEQMO-STQMWFEESA-N 1 3 325.461 0.447 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1nncn1C ZINC000656540360 440816007 /nfs/dbraw/zinc/81/60/07/440816007.db2.gz GJIYHFAMYAEQMO-STQMWFEESA-N 1 3 325.461 0.447 20 0 ECADHO C[C@@H]1CN(CCOCC[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661625104 440889199 /nfs/dbraw/zinc/88/91/99/440889199.db2.gz LHKLCPZDKVEVIR-HKCPWHJYSA-N 1 3 328.497 0.900 20 0 ECADHO C[C@@H]1CN(CCOCC[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661625104 440889208 /nfs/dbraw/zinc/88/92/08/440889208.db2.gz LHKLCPZDKVEVIR-HKCPWHJYSA-N 1 3 328.497 0.900 20 0 ECADHO C[C@@H]1CN(CCOCC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)C[C@@H](C)C1O ZINC000661625108 440889369 /nfs/dbraw/zinc/88/93/69/440889369.db2.gz LHKLCPZDKVEVIR-RUPPMWDTSA-N 1 3 328.497 0.900 20 0 ECADHO C[C@@H]1C[NH+](CCOCCN2C[C@H](C)C(O)[C@@H](C)C2)C[C@@H](C)C1O ZINC000661625108 440889375 /nfs/dbraw/zinc/88/93/75/440889375.db2.gz LHKLCPZDKVEVIR-RUPPMWDTSA-N 1 3 328.497 0.900 20 0 ECADHO C(N1CC[C@H]2COC[C@@H]2C1)C1(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)COC1 ZINC000662038031 440957249 /nfs/dbraw/zinc/95/72/49/440957249.db2.gz VIXFFMCATWJEGK-MHORFTMASA-N 1 3 336.476 0.940 20 0 ECADHO C(N1CC[C@H]2COC[C@@H]2C1)C1(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)COC1 ZINC000662038031 440957257 /nfs/dbraw/zinc/95/72/57/440957257.db2.gz VIXFFMCATWJEGK-MHORFTMASA-N 1 3 336.476 0.940 20 0 ECADHO C(N1CC[C@@H]2COC[C@@H]2C1)C1(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)COC1 ZINC000662038031 440957260 /nfs/dbraw/zinc/95/72/60/440957260.db2.gz VIXFFMCATWJEGK-MHORFTMASA-N 1 3 336.476 0.940 20 0 ECADHO C(N1CC[C@@H]2COC[C@@H]2C1)C1(C[N@H+]2CC[C@H]3COC[C@@H]3C2)COC1 ZINC000662038031 440957266 /nfs/dbraw/zinc/95/72/66/440957266.db2.gz VIXFFMCATWJEGK-MHORFTMASA-N 1 3 336.476 0.940 20 0 ECADHO CN1CC[C@@](O)(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631113465 441011839 /nfs/dbraw/zinc/01/18/39/441011839.db2.gz YDOWPGOOJHQTGH-LJQANCHMSA-N 1 3 349.475 0.554 20 0 ECADHO O=C1CCCN1CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337038 441015234 /nfs/dbraw/zinc/01/52/34/441015234.db2.gz ILNRKBAHDGAHSD-OAHLLOKOSA-N 1 3 346.479 0.621 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC[C@@H]2CCCN2CCOC)C[C@H]1C[NH3+] ZINC000652150055 441018630 /nfs/dbraw/zinc/01/86/30/441018630.db2.gz KLZAGTSADMYFEW-QLFBSQMISA-N 1 3 328.457 0.102 20 0 ECADHO CCO[C@@H]1CN(C(=O)NCCCNCc2cccnc2)C[C@H]1C[NH3+] ZINC000652204643 441029558 /nfs/dbraw/zinc/02/95/58/441029558.db2.gz ZGLIFJVPYUZYNT-HZPDHXFCSA-N 1 3 335.452 0.567 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000631284943 441040930 /nfs/dbraw/zinc/04/09/30/441040930.db2.gz LQAQCBUHLNYXGT-KLHDSHLOSA-N 1 3 336.480 0.433 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000631284943 441040938 /nfs/dbraw/zinc/04/09/38/441040938.db2.gz LQAQCBUHLNYXGT-KLHDSHLOSA-N 1 3 336.480 0.433 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662442827 441041920 /nfs/dbraw/zinc/04/19/20/441041920.db2.gz ZEMIWQDPCPVCQS-CQSZACIVSA-N 1 3 336.440 0.043 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000662463031 441047835 /nfs/dbraw/zinc/04/78/35/441047835.db2.gz SUSSZLRAWMMVGY-CABCVRRESA-N 1 3 346.479 0.339 20 0 ECADHO COCCCNC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346582 441056911 /nfs/dbraw/zinc/05/69/11/441056911.db2.gz ARLBMBXTLPODOG-YHUYYLMFSA-N 1 3 327.469 0.746 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652347500 441057718 /nfs/dbraw/zinc/05/77/18/441057718.db2.gz CKSWACYLYZDMRV-MJBXVCDLSA-N 1 3 338.452 0.535 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000332403616 320900390 /nfs/dbraw/zinc/90/03/90/320900390.db2.gz OBQWPAZSWYDAHQ-HOTGVXAUSA-N 1 3 336.480 0.387 20 0 ECADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCCC[C@H]3CN)C2)CC1 ZINC000332724021 320911795 /nfs/dbraw/zinc/91/17/95/320911795.db2.gz XYRCVSOEUPHNRU-HOTGVXAUSA-N 1 3 336.480 0.517 20 0 ECADHO C[NH+](C)CCOCCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000339619585 320990303 /nfs/dbraw/zinc/99/03/03/320990303.db2.gz OBBRHIMOKULMLM-UHFFFAOYSA-N 1 3 342.484 0.062 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000339920097 321003653 /nfs/dbraw/zinc/00/36/53/321003653.db2.gz BYNUSRJUKQXBOY-ZBFHGGJFSA-N 1 3 338.496 0.822 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339962456 321006231 /nfs/dbraw/zinc/00/62/31/321006231.db2.gz DAEQJVYNEGSIOW-MRXNPFEDSA-N 1 3 336.480 0.720 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000340203411 321021163 /nfs/dbraw/zinc/02/11/63/321021163.db2.gz NAMIPESLVQVTMD-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000340251190 321029136 /nfs/dbraw/zinc/02/91/36/321029136.db2.gz BUFZMXDJQIFEIK-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000340251190 321029137 /nfs/dbraw/zinc/02/91/37/321029137.db2.gz BUFZMXDJQIFEIK-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCN1C ZINC000340254170 321029828 /nfs/dbraw/zinc/02/98/28/321029828.db2.gz SWKNJRRXMURPCP-CABCVRRESA-N 1 3 325.501 0.794 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340265005 321032602 /nfs/dbraw/zinc/03/26/02/321032602.db2.gz VHJHLJOXHSUOCQ-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340265005 321032604 /nfs/dbraw/zinc/03/26/04/321032604.db2.gz VHJHLJOXHSUOCQ-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343044686 321119037 /nfs/dbraw/zinc/11/90/37/321119037.db2.gz WWWBSFQYQORENK-ZWKOTPCHSA-N 1 3 328.460 0.767 20 0 ECADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343044686 321119039 /nfs/dbraw/zinc/11/90/39/321119039.db2.gz WWWBSFQYQORENK-ZWKOTPCHSA-N 1 3 328.460 0.767 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343315720 321132985 /nfs/dbraw/zinc/13/29/85/321132985.db2.gz YTVSPIBGHMYZKV-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343315720 321132986 /nfs/dbraw/zinc/13/29/86/321132986.db2.gz YTVSPIBGHMYZKV-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO COCCN1CC[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344195310 321142944 /nfs/dbraw/zinc/14/29/44/321142944.db2.gz IMDBBKXFIQAKEA-MOPGFXCFSA-N 1 3 333.476 0.934 20 0 ECADHO COCCN1CC[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344195310 321142945 /nfs/dbraw/zinc/14/29/45/321142945.db2.gz IMDBBKXFIQAKEA-MOPGFXCFSA-N 1 3 333.476 0.934 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)[C@H](C)C1 ZINC000347960970 321259461 /nfs/dbraw/zinc/25/94/61/321259461.db2.gz CLSJFOWJYKAUIE-QXSJWSMHSA-N 1 3 338.496 0.774 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)[C@H](C)C1 ZINC000347960970 321259462 /nfs/dbraw/zinc/25/94/62/321259462.db2.gz CLSJFOWJYKAUIE-QXSJWSMHSA-N 1 3 338.496 0.774 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000347974314 321261282 /nfs/dbraw/zinc/26/12/82/321261282.db2.gz KDRYYZQKRWCWBX-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000347974314 321261284 /nfs/dbraw/zinc/26/12/84/321261284.db2.gz KDRYYZQKRWCWBX-PMPSAXMXSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1=O ZINC000353391138 321389590 /nfs/dbraw/zinc/38/95/90/321389590.db2.gz UXMWZJMPJUGULG-YLFCFFPRSA-N 1 3 348.491 0.387 20 0 ECADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000353508490 321396213 /nfs/dbraw/zinc/39/62/13/321396213.db2.gz GCGBFRRQFFEPRB-OAGGEKHMSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1CN(C[C@@H](O)CC2(O)CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000528434638 322025019 /nfs/dbraw/zinc/02/50/19/322025019.db2.gz XBSCCRRDNYWPNB-IKGGRYGDSA-N 1 3 325.497 0.610 20 0 ECADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cccc4c3CCNC4)C2)C1 ZINC000556972483 322201109 /nfs/dbraw/zinc/20/11/09/322201109.db2.gz BHVHMXXVTASTJW-LJQANCHMSA-N 1 3 342.443 0.825 20 0 ECADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cccc4c3CCNC4)C2)C1 ZINC000556972483 322201110 /nfs/dbraw/zinc/20/11/10/322201110.db2.gz BHVHMXXVTASTJW-LJQANCHMSA-N 1 3 342.443 0.825 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000561227150 322256986 /nfs/dbraw/zinc/25/69/86/322256986.db2.gz FQWAPKAXPURTPN-OAHLLOKOSA-N 1 3 346.475 0.739 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000562805616 322285135 /nfs/dbraw/zinc/28/51/35/322285135.db2.gz FEZWMOBECIBRKF-NXHRZFHOSA-N 1 3 345.491 0.791 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000562817477 322285971 /nfs/dbraw/zinc/28/59/71/322285971.db2.gz YCKRZIGABWKBME-OAHLLOKOSA-N 1 3 337.468 0.078 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000563119609 322299384 /nfs/dbraw/zinc/29/93/84/322299384.db2.gz UYPZSAUJMPAZCD-SMDDNHRTSA-N 1 3 343.497 0.419 20 0 ECADHO CN1CCN(C[C@@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000564565267 322380352 /nfs/dbraw/zinc/38/03/52/322380352.db2.gz UHCAVAXGEMPCOD-FQEVSTJZSA-N 1 3 346.519 0.849 20 0 ECADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CC1(C)C ZINC000564821263 322395782 /nfs/dbraw/zinc/39/57/82/322395782.db2.gz HGKALJUQRKKPQG-LSDHHAIUSA-N 1 3 340.512 0.879 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H](N)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000564841984 322398398 /nfs/dbraw/zinc/39/83/98/322398398.db2.gz OJMHEAKTUDACEH-ARFHVFGLSA-N 1 3 328.420 0.556 20 0 ECADHO C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)CC[NH2+]CC2 ZINC000564842581 322398691 /nfs/dbraw/zinc/39/86/91/322398691.db2.gz VQQXUESTYXVZKG-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000570528560 322690845 /nfs/dbraw/zinc/69/08/45/322690845.db2.gz DGYGSRKKSZSWPC-UHFFFAOYSA-N 1 3 346.475 0.617 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)NCC(C)(C)C[NH+]3CCCC3)C[C@H]2N)cn1 ZINC000570920176 322704002 /nfs/dbraw/zinc/70/40/02/322704002.db2.gz CSVXVXRHBOJGID-JKSUJKDBSA-N 1 3 348.495 0.978 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1CCCCC1 ZINC000572587678 322747450 /nfs/dbraw/zinc/74/74/50/322747450.db2.gz GIGAUZVBTXSTRX-HZPDHXFCSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000573267696 322759335 /nfs/dbraw/zinc/75/93/35/322759335.db2.gz PULDIXZALRNESL-IRXDYDNUSA-N 1 3 337.512 0.796 20 0 ECADHO Cc1nc2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn2n1 ZINC000577480060 322836107 /nfs/dbraw/zinc/83/61/07/322836107.db2.gz RIONITFTNGNRMM-UHFFFAOYSA-N 1 3 333.440 0.995 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000262895929 536565322 /nfs/dbraw/zinc/56/53/22/536565322.db2.gz PASUOXJGKNSYBK-SFHVURJKSA-N 1 3 348.491 0.674 20 0 ECADHO CO[C@H](C[NH3+])CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000262976874 536567031 /nfs/dbraw/zinc/56/70/31/536567031.db2.gz YGVQRFRJPALRGM-KRWDZBQOSA-N 1 3 334.464 0.414 20 0 ECADHO CCC[NH+]1CCC(Nc2cnn(CC(=O)NCCN(C)C)c2)CC1 ZINC000133068516 545795492 /nfs/dbraw/zinc/79/54/92/545795492.db2.gz OEYZPWPWWCIMLX-UHFFFAOYSA-N 1 3 336.484 0.847 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000342988164 546089905 /nfs/dbraw/zinc/08/99/05/546089905.db2.gz NLHZKAFWKCYCSH-HZPDHXFCSA-N 1 3 340.512 0.927 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000342988164 546089908 /nfs/dbraw/zinc/08/99/08/546089908.db2.gz NLHZKAFWKCYCSH-HZPDHXFCSA-N 1 3 340.512 0.927 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417749821 546210404 /nfs/dbraw/zinc/21/04/04/546210404.db2.gz JWGQMNQXUFBGND-OAGGEKHMSA-N 1 3 325.501 0.829 20 0 ECADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCCN(C3CCCC3)CC1)C2 ZINC000622026348 546608225 /nfs/dbraw/zinc/60/82/25/546608225.db2.gz ITCHPCFDGQTCIO-DNVCBOLYSA-N 1 3 348.491 0.803 20 0 ECADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622026543 546608687 /nfs/dbraw/zinc/60/86/87/546608687.db2.gz MFDKNXJZBRGMQC-QIIPPGSGSA-N 1 3 336.480 0.515 20 0 ECADHO CN1CC[C@@H]([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1(C)C ZINC000623426018 546788307 /nfs/dbraw/zinc/78/83/07/546788307.db2.gz YKWPOWLCKPGJTN-CVEARBPZSA-N 1 3 338.496 0.382 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000623712585 546826284 /nfs/dbraw/zinc/82/62/84/546826284.db2.gz HVAMEBWXDPXJEI-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000623712585 546826287 /nfs/dbraw/zinc/82/62/87/546826287.db2.gz HVAMEBWXDPXJEI-SJORKVTESA-N 1 3 339.528 0.901 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000667820649 547560386 /nfs/dbraw/zinc/56/03/86/547560386.db2.gz ZLTOXESSJLBMQJ-CQSZACIVSA-N 1 3 347.467 0.881 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@H]1CCN(CC)C1 ZINC000668502847 547671951 /nfs/dbraw/zinc/67/19/51/547671951.db2.gz VFDLIBPONMBVLB-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCN(CC)C1 ZINC000668584495 547693665 /nfs/dbraw/zinc/69/36/65/547693665.db2.gz DDZNYACMZTTXLM-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCN(CC)C1 ZINC000668584495 547693667 /nfs/dbraw/zinc/69/36/67/547693667.db2.gz DDZNYACMZTTXLM-XHSDSOJGSA-N 1 3 336.480 0.672 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000669144754 547840070 /nfs/dbraw/zinc/84/00/70/547840070.db2.gz UVEQCFYJVHNRJW-ZIAGYGMSSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000669529769 547902820 /nfs/dbraw/zinc/90/28/20/547902820.db2.gz BODPHKHYGUDVHG-CABCVRRESA-N 1 3 339.484 0.357 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)C ZINC000670503747 548025923 /nfs/dbraw/zinc/02/59/23/548025923.db2.gz GIBCKOXIHBFWGF-MRXNPFEDSA-N 1 3 338.496 0.822 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671122320 548094591 /nfs/dbraw/zinc/09/45/91/548094591.db2.gz SQQDNDDLTDIVNZ-LSDHHAIUSA-N 1 3 334.464 0.187 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671122320 548094595 /nfs/dbraw/zinc/09/45/95/548094595.db2.gz SQQDNDDLTDIVNZ-LSDHHAIUSA-N 1 3 334.464 0.187 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671180784 548105140 /nfs/dbraw/zinc/10/51/40/548105140.db2.gz WHFJRZCJOWQYNL-OWCLPIDISA-N 1 3 334.464 0.330 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671180784 548105144 /nfs/dbraw/zinc/10/51/44/548105144.db2.gz WHFJRZCJOWQYNL-OWCLPIDISA-N 1 3 334.464 0.330 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671179924 548105444 /nfs/dbraw/zinc/10/54/44/548105444.db2.gz KYRQOQMTPOAQDR-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671179924 548105445 /nfs/dbraw/zinc/10/54/45/548105445.db2.gz KYRQOQMTPOAQDR-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671365858 548128912 /nfs/dbraw/zinc/12/89/12/548128912.db2.gz SUTWYHWYKBAALI-OAHLLOKOSA-N 1 3 347.463 0.577 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000671849568 548234705 /nfs/dbraw/zinc/23/47/05/548234705.db2.gz ZCSVEXPLQHUYLN-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672011384 548254686 /nfs/dbraw/zinc/25/46/86/548254686.db2.gz RXAJIMKFYNNTIA-ZBFHGGJFSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672015404 548256742 /nfs/dbraw/zinc/25/67/42/548256742.db2.gz VZFBDUZOPXFVOG-CQSZACIVSA-N 1 3 326.485 0.632 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000672694448 548372687 /nfs/dbraw/zinc/37/26/87/548372687.db2.gz UWOKJFSQIKZFIO-HNNXBMFYSA-N 1 3 326.485 0.777 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000672698826 548376010 /nfs/dbraw/zinc/37/60/10/548376010.db2.gz IHGCBAYCTJQDJR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000672698826 548376015 /nfs/dbraw/zinc/37/60/15/548376015.db2.gz IHGCBAYCTJQDJR-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000675964017 548776422 /nfs/dbraw/zinc/77/64/22/548776422.db2.gz WRZUEDBZIBLISB-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000675964017 548776427 /nfs/dbraw/zinc/77/64/27/548776427.db2.gz WRZUEDBZIBLISB-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NCC(=O)N(C)C ZINC000751012144 579361862 /nfs/dbraw/zinc/36/18/62/579361862.db2.gz SNLHZINNCOLNRL-AWEZNQCLSA-N 1 3 343.541 0.297 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NCC(=O)N(C)C ZINC000751012144 579361863 /nfs/dbraw/zinc/36/18/63/579361863.db2.gz SNLHZINNCOLNRL-AWEZNQCLSA-N 1 3 343.541 0.297 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)N1CCCCC1 ZINC000785516813 578770443 /nfs/dbraw/zinc/77/04/43/578770443.db2.gz KKXAAGJKCWMFTJ-MRXNPFEDSA-N 1 3 338.496 0.969 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NOC[C@@H]3CCOC3)CC2)CC1 ZINC000788102166 578827830 /nfs/dbraw/zinc/82/78/30/578827830.db2.gz DAVXLBBPGZUFRA-CQSZACIVSA-N 1 3 340.468 0.812 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793695267 578935069 /nfs/dbraw/zinc/93/50/69/578935069.db2.gz CATASDCWANTLEV-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793695267 578935070 /nfs/dbraw/zinc/93/50/70/578935070.db2.gz CATASDCWANTLEV-OAHLLOKOSA-N 1 3 326.485 0.825 20 0 ECADHO CC[C@H](C(=O)NC[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000772815717 579215146 /nfs/dbraw/zinc/21/51/46/579215146.db2.gz DEIBHSXRRWUEDI-RBSFLKMASA-N 1 3 326.485 0.774 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000774854677 579257724 /nfs/dbraw/zinc/25/77/24/579257724.db2.gz BZOVJQMOTRRMJV-OAHLLOKOSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H]1CN(C(=S)NCCC[NH+](C)C)CC[C@H]1N1CCN(C)CC1 ZINC000763307563 579558469 /nfs/dbraw/zinc/55/84/69/579558469.db2.gz YLWZQTMWQDQMOF-JKSUJKDBSA-N 1 3 341.569 0.770 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1)N1CCCCC1 ZINC000841019076 588975972 /nfs/dbraw/zinc/97/59/72/588975972.db2.gz BODPVLUUQMAOOD-CQSZACIVSA-N 1 3 348.447 0.953 20 0 ECADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000841791320 589001047 /nfs/dbraw/zinc/00/10/47/589001047.db2.gz UHBUDFULOVCLFC-IAGOWNOFSA-N 1 3 330.432 0.952 20 0 ECADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000842201233 589020381 /nfs/dbraw/zinc/02/03/81/589020381.db2.gz IEZRSJGBPMMZND-HNNXBMFYSA-N 1 3 334.464 0.189 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)CN1CCN(C)CC1 ZINC000891602724 586181262 /nfs/dbraw/zinc/18/12/62/586181262.db2.gz LPIVUDKXNUWRDM-HZPDHXFCSA-N 1 3 339.528 0.947 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000895628146 586193795 /nfs/dbraw/zinc/19/37/95/586193795.db2.gz YIZWCLPFZCTIQW-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000895628146 586193797 /nfs/dbraw/zinc/19/37/97/586193797.db2.gz YIZWCLPFZCTIQW-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895628146 586193800 /nfs/dbraw/zinc/19/38/00/586193800.db2.gz YIZWCLPFZCTIQW-HNNXBMFYSA-N 1 3 325.501 0.748 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000891982463 586211547 /nfs/dbraw/zinc/21/15/47/586211547.db2.gz WLIZISBZSHQKNZ-USXIJHARSA-N 1 3 336.480 0.711 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000891982463 586211549 /nfs/dbraw/zinc/21/15/49/586211549.db2.gz WLIZISBZSHQKNZ-USXIJHARSA-N 1 3 336.480 0.711 20 0 ECADHO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H]1CNCCO1 ZINC000892190086 586228969 /nfs/dbraw/zinc/22/89/69/586228969.db2.gz TXNNWCFVNXWWJL-CQSZACIVSA-N 1 3 326.828 0.799 20 0 ECADHO C[C@H]1CN(CC2CC[NH+](C)CC2)CCN1c1nccn2cnnc12 ZINC000892213405 586235144 /nfs/dbraw/zinc/23/51/44/586235144.db2.gz XXCKNFGFWPRSNI-AWEZNQCLSA-N 1 3 329.452 0.977 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)[NH2+]C1 ZINC000892384176 586261563 /nfs/dbraw/zinc/26/15/63/586261563.db2.gz PRBLODQXAMQTMH-GJZGRUSLSA-N 1 3 326.485 0.911 20 0 ECADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)cc1 ZINC000892530725 586271684 /nfs/dbraw/zinc/27/16/84/586271684.db2.gz VZZBXSVKSPZVKW-ZWKOTPCHSA-N 1 3 345.491 0.854 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000893239141 586318565 /nfs/dbraw/zinc/31/85/65/586318565.db2.gz RZCDTQUSYZDUFW-IXDOHACOSA-N 1 3 337.512 0.606 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000893239141 586318567 /nfs/dbraw/zinc/31/85/67/586318567.db2.gz RZCDTQUSYZDUFW-IXDOHACOSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@@H]1CCN(CCNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000897435988 586318649 /nfs/dbraw/zinc/31/86/49/586318649.db2.gz SRYHREHPLQYNKN-IAGOWNOFSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H]1CCN(CCNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000897435988 586318651 /nfs/dbraw/zinc/31/86/51/586318651.db2.gz SRYHREHPLQYNKN-IAGOWNOFSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@H](CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)CN1CCN(C)CC1 ZINC000893239081 586318980 /nfs/dbraw/zinc/31/89/80/586318980.db2.gz XVGXQAFUTXCXEA-MRXNPFEDSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)CN1CCN(C)CC1 ZINC000893239081 586318983 /nfs/dbraw/zinc/31/89/83/586318983.db2.gz XVGXQAFUTXCXEA-MRXNPFEDSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)CN1CCN(C)CC1 ZINC000893238334 586319089 /nfs/dbraw/zinc/31/90/89/586319089.db2.gz RMVPMRCBRFRVTD-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)CN1CCN(C)CC1 ZINC000893238334 586319092 /nfs/dbraw/zinc/31/90/92/586319092.db2.gz RMVPMRCBRFRVTD-CVEARBPZSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000897518066 586337329 /nfs/dbraw/zinc/33/73/29/586337329.db2.gz CATZFYKQZJLXIJ-KBPBESRZSA-N 1 3 325.457 0.232 20 0 ECADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000897518066 586337332 /nfs/dbraw/zinc/33/73/32/586337332.db2.gz CATZFYKQZJLXIJ-KBPBESRZSA-N 1 3 325.457 0.232 20 0 ECADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000897517898 586337422 /nfs/dbraw/zinc/33/74/22/586337422.db2.gz FGOHRAQSYOOVCE-INIZCTEOSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000897517898 586337423 /nfs/dbraw/zinc/33/74/23/586337423.db2.gz FGOHRAQSYOOVCE-INIZCTEOSA-N 1 3 337.512 0.892 20 0 ECADHO C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000897567806 586345573 /nfs/dbraw/zinc/34/55/73/586345573.db2.gz NGVPBUMRGSSWRW-IKGGRYGDSA-N 1 3 338.496 0.959 20 0 ECADHO C[N@H+]1CCCC[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000897567806 586345575 /nfs/dbraw/zinc/34/55/75/586345575.db2.gz NGVPBUMRGSSWRW-IKGGRYGDSA-N 1 3 338.496 0.959 20 0 ECADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)C1CN([C@H]2CCOC2)C1 ZINC000897783252 586370209 /nfs/dbraw/zinc/37/02/09/586370209.db2.gz NHXGTNXUVCENJJ-INIZCTEOSA-N 1 3 326.485 0.049 20 0 ECADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C1CN([C@H]2CCOC2)C1 ZINC000897783252 586370212 /nfs/dbraw/zinc/37/02/12/586370212.db2.gz NHXGTNXUVCENJJ-INIZCTEOSA-N 1 3 326.485 0.049 20 0 ECADHO CN(CCCN(C)C(=O)C1CN([C@H]2CCOC2)C1)CC[NH+](C)C ZINC000897783252 586370214 /nfs/dbraw/zinc/37/02/14/586370214.db2.gz NHXGTNXUVCENJJ-INIZCTEOSA-N 1 3 326.485 0.049 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cn(C)cn1 ZINC000898626178 586439442 /nfs/dbraw/zinc/43/94/42/586439442.db2.gz BSPGGWXZQHBBJA-MRXNPFEDSA-N 1 3 336.484 0.978 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cn(C)cn1 ZINC000898626178 586439444 /nfs/dbraw/zinc/43/94/44/586439444.db2.gz BSPGGWXZQHBBJA-MRXNPFEDSA-N 1 3 336.484 0.978 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000901227432 586704078 /nfs/dbraw/zinc/70/40/78/586704078.db2.gz HSXSVCCJLBASLY-UHFFFAOYSA-N 1 3 337.468 0.364 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000901227432 586704079 /nfs/dbraw/zinc/70/40/79/586704079.db2.gz HSXSVCCJLBASLY-UHFFFAOYSA-N 1 3 337.468 0.364 20 0 ECADHO CNC(=O)[C@@H](NC(=O)CN(C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843355461 589063607 /nfs/dbraw/zinc/06/36/07/589063607.db2.gz QNMXTLLMSASMBA-DQPZFDDXSA-N 1 3 332.448 0.792 20 0 ECADHO C[C@@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1CC[NH3+] ZINC000903499822 586778318 /nfs/dbraw/zinc/77/83/18/586778318.db2.gz QHUNXGKKTGVJDE-HUUCEWRRSA-N 1 3 332.452 0.042 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)NCc1ccccc1)C2 ZINC000903490736 586779024 /nfs/dbraw/zinc/77/90/24/586779024.db2.gz GAONXSNBKOIXKR-DEWZPKMOSA-N 1 3 345.443 0.904 20 0 ECADHO CCC[C@@H](C)NC(=O)[C@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492264 586779552 /nfs/dbraw/zinc/77/95/52/586779552.db2.gz KUGKWQFCIBQUSE-KAHPBISDSA-N 1 3 325.453 0.892 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)cc1 ZINC000903537967 586783553 /nfs/dbraw/zinc/78/35/53/586783553.db2.gz JDUBJGLFKHPJJE-UHFFFAOYSA-N 1 3 341.477 0.877 20 0 ECADHO O=C1NCC2(CCN(CCN3CC[NH2+]CC3)CC2)Oc2ccccc21 ZINC000903563471 586786450 /nfs/dbraw/zinc/78/64/50/586786450.db2.gz DOXRDLXETKTFPK-UHFFFAOYSA-N 1 3 344.459 0.549 20 0 ECADHO OCCN(CCOCC(F)(F)F)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728886 586802884 /nfs/dbraw/zinc/80/28/84/586802884.db2.gz GSQGWZWPARBMHL-STQMWFEESA-N 1 3 326.359 0.628 20 0 ECADHO CN1CCC[C@@H](N2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)C1 ZINC000903741386 586807029 /nfs/dbraw/zinc/80/70/29/586807029.db2.gz PEOQBBAFTQSGTR-MSOLQXFVSA-N 1 3 336.524 0.857 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCN2CCCS2(=O)=O)C1 ZINC000903767871 586809739 /nfs/dbraw/zinc/80/97/39/586809739.db2.gz ISLZARYBJZBSFA-ILXRZTDVSA-N 1 3 331.482 0.383 20 0 ECADHO CNS(=O)(=O)C[C@@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903775211 586813635 /nfs/dbraw/zinc/81/36/35/586813635.db2.gz ITFMVPBRRRZZKH-HUUCEWRRSA-N 1 3 345.509 0.406 20 0 ECADHO COCC[C@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000903837573 586819303 /nfs/dbraw/zinc/81/93/03/586819303.db2.gz NPVMLNWOTUXFGR-ROUUACIJSA-N 1 3 348.491 0.716 20 0 ECADHO COC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000903880943 586822933 /nfs/dbraw/zinc/82/29/33/586822933.db2.gz NMQMLDVAACOJIX-IRXDYDNUSA-N 1 3 334.464 0.326 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000903898488 586824155 /nfs/dbraw/zinc/82/41/55/586824155.db2.gz NUEPQOQLMFGPTK-JKSUJKDBSA-N 1 3 334.468 0.357 20 0 ECADHO [NH3+][C@@H](CC(F)F)CN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000903933860 586826784 /nfs/dbraw/zinc/82/67/84/586826784.db2.gz XDMZMBNQDPGZEX-OLZOCXBDSA-N 1 3 342.438 0.981 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCNC[C@H]1c1ccncc1 ZINC000903915844 586827304 /nfs/dbraw/zinc/82/73/04/586827304.db2.gz CHZFXKYNWPHSQI-RDJZCZTQSA-N 1 3 327.436 0.744 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCNC[C@@H]1c1ccncc1 ZINC000903915842 586827688 /nfs/dbraw/zinc/82/76/88/586827688.db2.gz CHZFXKYNWPHSQI-NVXWUHKLSA-N 1 3 327.436 0.744 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CCC1 ZINC000904969126 586851092 /nfs/dbraw/zinc/85/10/92/586851092.db2.gz BZBNEBDJOJYQRA-KDOFPFPSSA-N 1 3 336.480 0.659 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000904971799 586851517 /nfs/dbraw/zinc/85/15/17/586851517.db2.gz JKZFNNMYWLUHFA-CRAIPNDOSA-N 1 3 336.480 0.661 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32CN)C1 ZINC000905011571 586861093 /nfs/dbraw/zinc/86/10/93/586861093.db2.gz XWGDPPZUDZPRRK-MPGHIAIKSA-N 1 3 336.480 0.517 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32CN)C1 ZINC000905011571 586861095 /nfs/dbraw/zinc/86/10/95/586861095.db2.gz XWGDPPZUDZPRRK-MPGHIAIKSA-N 1 3 336.480 0.517 20 0 ECADHO N[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1c1ccccc1F ZINC000905343986 586884365 /nfs/dbraw/zinc/88/43/65/586884365.db2.gz MUIUIWSQNPUKHH-GOEBONIOSA-N 1 3 341.452 0.882 20 0 ECADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)N1Cc2ccccc2C1=O ZINC000906581664 586957042 /nfs/dbraw/zinc/95/70/42/586957042.db2.gz WWIVMEOFWZNJIZ-OAHLLOKOSA-N 1 3 346.475 0.983 20 0 ECADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccccc2CN)CCCO1 ZINC000906667300 586963247 /nfs/dbraw/zinc/96/32/47/586963247.db2.gz VDOWHYQZYFMMJF-AWEZNQCLSA-N 1 3 348.447 0.701 20 0 ECADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2CN)CCCO1 ZINC000906667300 586963248 /nfs/dbraw/zinc/96/32/48/586963248.db2.gz VDOWHYQZYFMMJF-AWEZNQCLSA-N 1 3 348.447 0.701 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906729436 586972288 /nfs/dbraw/zinc/97/22/88/586972288.db2.gz ZQOJRRJPECMDEG-HZSPNIEDSA-N 1 3 346.431 0.704 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C2CN(C)CC[N@H+](C)C2)C[C@H](C)O1 ZINC000906930656 586995047 /nfs/dbraw/zinc/99/50/47/586995047.db2.gz NOTPHIWHZQDMTP-IYBDPMFKSA-N 1 3 340.512 0.485 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000906930656 586995050 /nfs/dbraw/zinc/99/50/50/586995050.db2.gz NOTPHIWHZQDMTP-IYBDPMFKSA-N 1 3 340.512 0.485 20 0 ECADHO CS[C@@H]1CN(C(=O)C[C@]2(O)CCCN(C)C2)C[C@H]1[NH+]1CCCC1 ZINC000907353022 587036569 /nfs/dbraw/zinc/03/65/69/587036569.db2.gz GSLZSLFROVCDOM-BFYDXBDKSA-N 1 3 341.521 0.871 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817934209 587392705 /nfs/dbraw/zinc/39/27/05/587392705.db2.gz COHMUAJTFSMHLK-VQIMIIECSA-N 1 3 348.491 0.818 20 0 ECADHO C[C@H](NCCN1CC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817943986 587392999 /nfs/dbraw/zinc/39/29/99/587392999.db2.gz UPTIGPFRKYDMQL-HKUYNNGSSA-N 1 3 332.492 0.771 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000817988220 587394825 /nfs/dbraw/zinc/39/48/25/587394825.db2.gz LCJGYMMEXBKWDH-AWEZNQCLSA-N 1 3 334.420 0.515 20 0 ECADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000844170233 589098403 /nfs/dbraw/zinc/09/84/03/589098403.db2.gz HMCJKGXTUIIDBM-ZFWWWQNUSA-N 1 3 347.463 0.860 20 0 ECADHO C[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CCCCC1 ZINC000818646000 587442458 /nfs/dbraw/zinc/44/24/58/587442458.db2.gz HXQQVKLDUHRNCC-CWRNSKLLSA-N 1 3 334.468 0.731 20 0 ECADHO COC[C@@]1(c2nc(-c3ccnc(OCCN(C)C)c3)no2)CC[NH2+]C1 ZINC000822863731 587685774 /nfs/dbraw/zinc/68/57/74/587685774.db2.gz SPXJRKFXKWJGMW-QGZVFWFLSA-N 1 3 347.419 0.950 20 0 ECADHO CC(=O)N[C@@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C ZINC000824819885 587895797 /nfs/dbraw/zinc/89/57/97/587895797.db2.gz QPGBESNPQLNTKP-WMLDXEAASA-N 1 3 328.501 0.925 20 0 ECADHO CC(=O)N[C@@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C ZINC000824819885 587895798 /nfs/dbraw/zinc/89/57/98/587895798.db2.gz QPGBESNPQLNTKP-WMLDXEAASA-N 1 3 328.501 0.925 20 0 ECADHO CC[N@H+](CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C(C)C ZINC000825929717 587973930 /nfs/dbraw/zinc/97/39/30/587973930.db2.gz LIMCIWRKQMZUOL-CQSZACIVSA-N 1 3 327.473 0.478 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C(C)C ZINC000825929717 587973932 /nfs/dbraw/zinc/97/39/32/587973932.db2.gz LIMCIWRKQMZUOL-CQSZACIVSA-N 1 3 327.473 0.478 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CCC(C(=O)N(C)C)CC1 ZINC000826544596 588068560 /nfs/dbraw/zinc/06/85/60/588068560.db2.gz RIWYSMFJPVNGPE-UHFFFAOYSA-N 1 3 340.512 0.833 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)CC[C@@H]21 ZINC000867380426 589133863 /nfs/dbraw/zinc/13/38/63/589133863.db2.gz IBCIOLULUJIDFR-IKGGRYGDSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)CC[C@@H]21 ZINC000867380426 589133865 /nfs/dbraw/zinc/13/38/65/589133865.db2.gz IBCIOLULUJIDFR-IKGGRYGDSA-N 1 3 348.491 0.626 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(F)c1 ZINC000846144935 589188627 /nfs/dbraw/zinc/18/86/27/589188627.db2.gz KVRMXNSHPLGODN-LSDHHAIUSA-N 1 3 336.411 0.947 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCCC3)CC[C@H]21 ZINC000867411665 589195874 /nfs/dbraw/zinc/19/58/74/589195874.db2.gz QURSIWIPGOBPLP-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCCC3)CC[C@H]21 ZINC000867411665 589195876 /nfs/dbraw/zinc/19/58/76/589195876.db2.gz QURSIWIPGOBPLP-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000848615892 589304117 /nfs/dbraw/zinc/30/41/17/589304117.db2.gz DGYNMNWOAZWVGP-HZPDHXFCSA-N 1 3 348.491 0.722 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000851688874 589414900 /nfs/dbraw/zinc/41/49/00/589414900.db2.gz FBILSPWBRRZCPI-HNAYVOBHSA-N 1 3 348.491 0.864 20 0 ECADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000851799839 589424644 /nfs/dbraw/zinc/42/46/44/589424644.db2.gz TXPZTVJYVPZUHF-PKOBYXMFSA-N 1 3 349.475 0.792 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2=NO[C@H](CN)C2)[C@@H](C)C1 ZINC000852868956 589520203 /nfs/dbraw/zinc/52/02/03/589520203.db2.gz QRTMFVOZCBEQNA-IHRRRGAJSA-N 1 3 326.441 0.343 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C2=NO[C@H](CN)C2)[C@@H](C)C1 ZINC000852868956 589520205 /nfs/dbraw/zinc/52/02/05/589520205.db2.gz QRTMFVOZCBEQNA-IHRRRGAJSA-N 1 3 326.441 0.343 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852873319 589520993 /nfs/dbraw/zinc/52/09/93/589520993.db2.gz RNESIKMMFVXXFU-INIZCTEOSA-N 1 3 345.447 0.866 20 0 ECADHO [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)=NO1 ZINC000852887366 589522119 /nfs/dbraw/zinc/52/21/19/589522119.db2.gz LYOHGCGESACFFX-CVEARBPZSA-N 1 3 346.431 0.497 20 0 ECADHO CN1CCC(NC(=S)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000853051345 589530384 /nfs/dbraw/zinc/53/03/84/589530384.db2.gz CFHUOYMCRWXITC-OAHLLOKOSA-N 1 3 328.526 0.998 20 0 ECADHO C[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[NH+]1CCCCC1 ZINC000853465253 589543259 /nfs/dbraw/zinc/54/32/59/589543259.db2.gz DGYIAYDCUOKAJO-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000853682345 589555005 /nfs/dbraw/zinc/55/50/05/589555005.db2.gz CAZNORWOEXHCMW-CVEARBPZSA-N 1 3 341.500 0.032 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000866806206 589780524 /nfs/dbraw/zinc/78/05/24/589780524.db2.gz VLUCDMUGWTYMPN-BETUJISGSA-N 1 3 329.470 0.077 20 0 ECADHO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H](N2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000859086776 589798343 /nfs/dbraw/zinc/79/83/43/589798343.db2.gz ZCSWFPNJIDKSHV-ZJOBFFGXSA-N 1 3 325.453 0.898 20 0 ECADHO CC(C)(O)CN1CC[C@H](NC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000868161496 589877001 /nfs/dbraw/zinc/87/70/01/589877001.db2.gz CIZSUGBAYANMAV-AWEZNQCLSA-N 1 3 336.436 0.991 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861731124 589882802 /nfs/dbraw/zinc/88/28/02/589882802.db2.gz QDJIRFKAXAZUKM-ZIAGYGMSSA-N 1 3 326.485 0.809 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000861754536 589887905 /nfs/dbraw/zinc/88/79/05/589887905.db2.gz MYYCGPPXJXHUEU-CYBMUJFWSA-N 1 3 332.448 0.007 20 0 ECADHO C[C@H]([C@@H](C)C(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC000870018525 589989821 /nfs/dbraw/zinc/98/98/21/589989821.db2.gz CBNQDTLCDPHXLB-KBUPBQIOSA-N 1 3 347.525 0.253 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000863751747 590034141 /nfs/dbraw/zinc/03/41/41/590034141.db2.gz MAPNVSRVLJAFAK-UHFFFAOYSA-N 1 3 334.464 0.427 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863751670 590034226 /nfs/dbraw/zinc/03/42/26/590034226.db2.gz NFJGXRWVFCPCRA-CQSZACIVSA-N 1 3 334.464 0.902 20 0 ECADHO CN1CCCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000864442491 590083537 /nfs/dbraw/zinc/08/35/37/590083537.db2.gz FULGIHHZTSXSOX-ZDUSSCGKSA-N 1 3 328.457 0.605 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])C1 ZINC000872193348 590101978 /nfs/dbraw/zinc/10/19/78/590101978.db2.gz VKRNYCLTTWXBQB-OAHLLOKOSA-N 1 3 326.485 0.905 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC([NH+](C)C)C1 ZINC000879872500 590347102 /nfs/dbraw/zinc/34/71/02/590347102.db2.gz JDCSKYIBOHHYCF-BPCQOVAHSA-N 1 3 328.457 0.650 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nonc1C ZINC000876439413 590377251 /nfs/dbraw/zinc/37/72/51/590377251.db2.gz KYDSBKLVZSIXFJ-CQSZACIVSA-N 1 3 338.456 0.936 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nonc1C ZINC000876439413 590377253 /nfs/dbraw/zinc/37/72/53/590377253.db2.gz KYDSBKLVZSIXFJ-CQSZACIVSA-N 1 3 338.456 0.936 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](N)CN(C)C)cc1 ZINC000876707893 590400692 /nfs/dbraw/zinc/40/06/92/590400692.db2.gz RJICZVHDDSXQMT-INIZCTEOSA-N 1 3 349.479 0.586 20 0 ECADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000876749805 590409081 /nfs/dbraw/zinc/40/90/81/590409081.db2.gz QQXNTDVQUVOFQA-VYZBVOHISA-N 1 3 336.480 0.457 20 0 ECADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](N)CN(C)C)cc1 ZINC000876964408 590430093 /nfs/dbraw/zinc/43/00/93/590430093.db2.gz DLMHAXDSJAFHPV-ULQDDVLXSA-N 1 3 334.464 0.536 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C(=O)C[C@H]1CSCCN1 ZINC000877133007 590439748 /nfs/dbraw/zinc/43/97/48/590439748.db2.gz TVUAGKVGIIKVSI-HNNXBMFYSA-N 1 3 329.510 0.898 20 0 ECADHO COCCN(CC1CC[NH+](C)CC1)C(=O)C[C@@H]1CSCCN1 ZINC000877133008 590439891 /nfs/dbraw/zinc/43/98/91/590439891.db2.gz TVUAGKVGIIKVSI-OAHLLOKOSA-N 1 3 329.510 0.898 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)c2)nn1 ZINC000877206928 590445268 /nfs/dbraw/zinc/44/52/68/590445268.db2.gz OWYPZLFJMFHXOU-WBVHZDCISA-N 1 3 326.404 0.342 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877249018 590449517 /nfs/dbraw/zinc/44/95/17/590449517.db2.gz GUESDDQYDHDBRF-OKZBNKHCSA-N 1 3 330.476 0.998 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877249018 590449518 /nfs/dbraw/zinc/44/95/18/590449518.db2.gz GUESDDQYDHDBRF-OKZBNKHCSA-N 1 3 330.476 0.998 20 0 ECADHO C[NH+]1CCC(NC(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000877958723 590488910 /nfs/dbraw/zinc/48/89/10/590488910.db2.gz DWTQRYRXYFHSGP-KRWDZBQOSA-N 1 3 338.496 0.384 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000883639850 590637484 /nfs/dbraw/zinc/63/74/84/590637484.db2.gz ACUZWWGFLPZPHR-FMKPAKJESA-N 1 3 345.447 0.314 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCC1(C)C ZINC000884875900 590638916 /nfs/dbraw/zinc/63/89/16/590638916.db2.gz OULJRHBPVWNYEJ-AWEZNQCLSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000883641868 590639090 /nfs/dbraw/zinc/63/90/90/590639090.db2.gz YIZDSKWZCOYDFO-AWEZNQCLSA-N 1 3 333.436 0.187 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000883659657 590646370 /nfs/dbraw/zinc/64/63/70/590646370.db2.gz OFFVCXZZVLVCKA-UHFFFAOYSA-N 1 3 336.480 0.675 20 0 ECADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCC1(C)C ZINC000884964097 590656264 /nfs/dbraw/zinc/65/62/64/590656264.db2.gz HBMCQPZFGXWMCJ-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000884976477 590660142 /nfs/dbraw/zinc/66/01/42/590660142.db2.gz RFGRUWCSMSERMG-UHFFFAOYSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@H](CN)C1 ZINC000884987170 590664476 /nfs/dbraw/zinc/66/44/76/590664476.db2.gz ZOSWVLQCSWJRTB-GBRKPNRJSA-N 1 3 338.496 0.951 20 0 ECADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885291284 590705690 /nfs/dbraw/zinc/70/56/90/590705690.db2.gz KJIIFVUZBXXMIT-VXGBXAGGSA-N 1 3 346.422 0.336 20 0 ECADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccnc(N2CCNCC2)c1 ZINC000884192754 590769481 /nfs/dbraw/zinc/76/94/81/590769481.db2.gz NOIOPWLZFCIVHJ-AWEZNQCLSA-N 1 3 329.448 0.705 20 0 ECADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccnc(N2CCNCC2)c1 ZINC000884192754 590769482 /nfs/dbraw/zinc/76/94/82/590769482.db2.gz NOIOPWLZFCIVHJ-AWEZNQCLSA-N 1 3 329.448 0.705 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884199031 590770985 /nfs/dbraw/zinc/77/09/85/590770985.db2.gz NEBPLPVFAABGGF-OAHLLOKOSA-N 1 3 331.464 0.951 20 0 ECADHO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884199031 590770986 /nfs/dbraw/zinc/77/09/86/590770986.db2.gz NEBPLPVFAABGGF-OAHLLOKOSA-N 1 3 331.464 0.951 20 0 ECADHO O=C(c1ccnc(N2CCNCC2)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000884280334 590795041 /nfs/dbraw/zinc/79/50/41/590795041.db2.gz ISIVBYVUXFUDLL-SFHVURJKSA-N 1 3 329.448 0.707 20 0 ECADHO COCC[C@@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000884343731 590810977 /nfs/dbraw/zinc/81/09/77/590810977.db2.gz JYZACIPQBKNPQY-MRXNPFEDSA-N 1 3 334.464 0.460 20 0 ECADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnc(N2CCNCC2)c1 ZINC000884470464 590835297 /nfs/dbraw/zinc/83/52/97/590835297.db2.gz PBWOVBUKJCNMLD-RBVVOMGSSA-N 1 3 329.448 0.752 20 0 ECADHO CC(=O)[C@@](C)(O)CN(C)[C@H]1CC[C@H]([N@H+](C)C[C@](C)(O)C(C)=O)CC1 ZINC000886389743 590837788 /nfs/dbraw/zinc/83/77/88/590837788.db2.gz WFDMTALFDNMBGD-XSLAGTTESA-N 1 3 342.480 0.841 20 0 ECADHO CC(=O)[C@@](C)(O)CN(C)[C@H]1CC[C@H]([N@@H+](C)C[C@](C)(O)C(C)=O)CC1 ZINC000886389743 590837790 /nfs/dbraw/zinc/83/77/90/590837790.db2.gz WFDMTALFDNMBGD-XSLAGTTESA-N 1 3 342.480 0.841 20 0 ECADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884601455 590867634 /nfs/dbraw/zinc/86/76/34/590867634.db2.gz LWJQQQQXEAQRIN-CRAIPNDOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)N(C)C1CC1 ZINC000884617079 590872659 /nfs/dbraw/zinc/87/26/59/590872659.db2.gz HIBQOAFEZIGALV-SCLBCKFNSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)C1=CCN(C)CC1 ZINC000884623765 590875049 /nfs/dbraw/zinc/87/50/49/590875049.db2.gz NSSXRVLGBLIWQC-AWEZNQCLSA-N 1 3 336.480 0.873 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)C1=CCN(C)CC1 ZINC000884623876 590875255 /nfs/dbraw/zinc/87/52/55/590875255.db2.gz QPQBQCRPOSDEKN-DZGCQCFKSA-N 1 3 336.480 0.647 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C[C@H]1C[NH3+] ZINC000884625698 590875993 /nfs/dbraw/zinc/87/59/93/590875993.db2.gz PWRGRGLGUJQQRU-CZUORRHYSA-N 1 3 332.448 0.418 20 0 ECADHO CN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(CN)CCCCC1 ZINC000884626200 590876228 /nfs/dbraw/zinc/87/62/28/590876228.db2.gz DIHPOFJILYVFMM-GJZGRUSLSA-N 1 3 336.480 0.849 20 0 ECADHO CN(C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1(CN)CCCCC1 ZINC000884626200 590876229 /nfs/dbraw/zinc/87/62/29/590876229.db2.gz DIHPOFJILYVFMM-GJZGRUSLSA-N 1 3 336.480 0.849 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCN1c1ccncc1 ZINC000884683129 590892882 /nfs/dbraw/zinc/89/28/82/590892882.db2.gz VRMFRUXCSXFKNH-LSDHHAIUSA-N 1 3 345.447 0.377 20 0 ECADHO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884705710 590902769 /nfs/dbraw/zinc/90/27/69/590902769.db2.gz FIWOPQURDXNXAQ-CHWSQXEVSA-N 1 3 340.468 0.158 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000884705710 590902772 /nfs/dbraw/zinc/90/27/72/590902772.db2.gz FIWOPQURDXNXAQ-CHWSQXEVSA-N 1 3 340.468 0.158 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000884705710 590902775 /nfs/dbraw/zinc/90/27/75/590902775.db2.gz FIWOPQURDXNXAQ-CHWSQXEVSA-N 1 3 340.468 0.158 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN[C@H](COC)[C@H]2CCCOC2)CC1 ZINC000886903512 590904938 /nfs/dbraw/zinc/90/49/38/590904938.db2.gz AHRYDWYGGFFLED-GOEBONIOSA-N 1 3 327.469 0.618 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000884715828 590905894 /nfs/dbraw/zinc/90/58/94/590905894.db2.gz FYECGISTDYGTFU-NVXWUHKLSA-N 1 3 342.443 0.459 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000884715828 590905897 /nfs/dbraw/zinc/90/58/97/590905897.db2.gz FYECGISTDYGTFU-NVXWUHKLSA-N 1 3 342.443 0.459 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000884720605 590908700 /nfs/dbraw/zinc/90/87/00/590908700.db2.gz QUEHZCPJXAIJFP-AWEZNQCLSA-N 1 3 326.485 0.953 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000884724783 590911568 /nfs/dbraw/zinc/91/15/68/590911568.db2.gz FTBMRVLSBIWCLP-KFWWJZLASA-N 1 3 345.447 0.362 20 0 ECADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000884727910 590912487 /nfs/dbraw/zinc/91/24/87/590912487.db2.gz DCOBGSGSUGTOGQ-UHFFFAOYSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884785748 590922465 /nfs/dbraw/zinc/92/24/65/590922465.db2.gz DDZBXYYSFKAYMV-RLFYNMQTSA-N 1 3 336.480 0.291 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000890278627 591146006 /nfs/dbraw/zinc/14/60/06/591146006.db2.gz ZIOFPFBNPWUPDF-OAHLLOKOSA-N 1 3 339.484 0.132 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000930203447 611400035 /nfs/dbraw/zinc/40/00/35/611400035.db2.gz VCWOLHVMBZWHQY-RLFYNMQTSA-N 1 3 336.480 0.387 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000930203447 611400040 /nfs/dbraw/zinc/40/00/40/611400040.db2.gz VCWOLHVMBZWHQY-RLFYNMQTSA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)C[C@@H]1NC(=O)N(Cc2ccc(OCCC[NH+](C)C)cc2)C1=O ZINC000924587912 611416107 /nfs/dbraw/zinc/41/61/07/611416107.db2.gz QKPIPZXMRFYHFU-INIZCTEOSA-N 1 3 348.447 0.999 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946779258 611472272 /nfs/dbraw/zinc/47/22/72/611472272.db2.gz LTZXYPCEQWQDAK-MWDXBVQZSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946779258 611472275 /nfs/dbraw/zinc/47/22/75/611472275.db2.gz LTZXYPCEQWQDAK-MWDXBVQZSA-N 1 3 348.491 0.387 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925343640 611472696 /nfs/dbraw/zinc/47/26/96/611472696.db2.gz WNKPODYMUHVUOV-LSDHHAIUSA-N 1 3 325.501 0.794 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925343640 611472698 /nfs/dbraw/zinc/47/26/98/611472698.db2.gz WNKPODYMUHVUOV-LSDHHAIUSA-N 1 3 325.501 0.794 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000948246428 611486956 /nfs/dbraw/zinc/48/69/56/611486956.db2.gz XRAOJROHJLKDEZ-HOTGVXAUSA-N 1 3 334.468 0.685 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000948246428 611486958 /nfs/dbraw/zinc/48/69/58/611486958.db2.gz XRAOJROHJLKDEZ-HOTGVXAUSA-N 1 3 334.468 0.685 20 0 ECADHO Cn1ccn2c(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)nnc2c1=O ZINC000925773417 611499665 /nfs/dbraw/zinc/49/96/65/611499665.db2.gz NIXQUQXUJWQQJY-QLFBSQMISA-N 1 3 344.463 0.871 20 0 ECADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000925810841 611502849 /nfs/dbraw/zinc/50/28/49/611502849.db2.gz BBQUIUZKTFICKG-MJBXVCDLSA-N 1 3 347.525 0.969 20 0 ECADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000925810825 611502876 /nfs/dbraw/zinc/50/28/76/611502876.db2.gz BBQUIUZKTFICKG-IHRRRGAJSA-N 1 3 347.525 0.969 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000926323465 611534797 /nfs/dbraw/zinc/53/47/97/611534797.db2.gz ZUWODXVLXAOXHU-SFHVURJKSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC[C@H]1C[NH3+] ZINC000926334760 611536659 /nfs/dbraw/zinc/53/66/59/611536659.db2.gz UGDVAFIVBIYBLR-PMPSAXMXSA-N 1 3 336.480 0.517 20 0 ECADHO O=C(C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)N1CC[C@@H](N2CCCCC2)C1 ZINC000926330495 611536093 /nfs/dbraw/zinc/53/60/93/611536093.db2.gz AABIEMMPIRDHTO-APWZRJJASA-N 1 3 348.491 0.818 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1)C1CC1 ZINC000947072399 611575890 /nfs/dbraw/zinc/57/58/90/611575890.db2.gz DBQHGBYJZQMKHK-MRXNPFEDSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000927033728 611582910 /nfs/dbraw/zinc/58/29/10/611582910.db2.gz QBIMGFJYONBTLZ-HIFRSBDPSA-N 1 3 344.477 0.683 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000948417271 611583713 /nfs/dbraw/zinc/58/37/13/611583713.db2.gz BQAVHKZVCQEZTO-DOMZBBRYSA-N 1 3 347.463 0.566 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000948417271 611583715 /nfs/dbraw/zinc/58/37/15/611583715.db2.gz BQAVHKZVCQEZTO-DOMZBBRYSA-N 1 3 347.463 0.566 20 0 ECADHO O=C(C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)N1CC[C@H](N2CCCC2)C1 ZINC000926326926 608795572 /nfs/dbraw/zinc/79/55/72/608795572.db2.gz QJCXCKJRQCVHDW-MAUKXSAKSA-N 1 3 334.464 0.428 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)CC[N@@H+]1CCn1cncn1 ZINC000947726217 608969661 /nfs/dbraw/zinc/96/96/61/608969661.db2.gz KTNHZROABKQYPW-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)CC[N@H+]1CCn1cncn1 ZINC000947726217 608969662 /nfs/dbraw/zinc/96/96/62/608969662.db2.gz KTNHZROABKQYPW-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCn1cncn1 ZINC000947775917 611685491 /nfs/dbraw/zinc/68/54/91/611685491.db2.gz RTNAAXCJJPIPGG-NVXWUHKLSA-N 1 3 348.495 0.979 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@H]3CCN(C)[C@H]3C)CCC2)CC[N@@H+]1C ZINC000928435978 611688003 /nfs/dbraw/zinc/68/80/03/611688003.db2.gz DYRXLZWRPNWZRA-NMWPEEMBSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@H]3CCN(C)[C@H]3C)CCC2)CC[N@H+]1C ZINC000928435978 611688005 /nfs/dbraw/zinc/68/80/05/611688005.db2.gz DYRXLZWRPNWZRA-NMWPEEMBSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)CCC2)CCN1C ZINC000928435978 611688007 /nfs/dbraw/zinc/68/80/07/611688007.db2.gz DYRXLZWRPNWZRA-NMWPEEMBSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)CCC2)CCN1C ZINC000928435978 611688009 /nfs/dbraw/zinc/68/80/09/611688009.db2.gz DYRXLZWRPNWZRA-NMWPEEMBSA-N 1 3 336.480 0.574 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000937940846 609410381 /nfs/dbraw/zinc/41/03/81/609410381.db2.gz MEYJYOJGIVSSBY-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCN2C)[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928560981 611701328 /nfs/dbraw/zinc/70/13/28/611701328.db2.gz WYQHPRIYPQKQFU-UVPYHEFZSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCN2C)[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928560981 611701329 /nfs/dbraw/zinc/70/13/29/611701329.db2.gz WYQHPRIYPQKQFU-UVPYHEFZSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)[C@@H](C(=O)NC[C@@H]2CCN2C)C1 ZINC000928560981 611701330 /nfs/dbraw/zinc/70/13/30/611701330.db2.gz WYQHPRIYPQKQFU-UVPYHEFZSA-N 1 3 336.480 0.289 20 0 ECADHO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)[C@@H](C(=O)NC[C@@H]2CCN2C)C1 ZINC000928560981 611701331 /nfs/dbraw/zinc/70/13/31/611701331.db2.gz WYQHPRIYPQKQFU-UVPYHEFZSA-N 1 3 336.480 0.289 20 0 ECADHO CCN1CC[C@H]2OCCN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)[C@H]2C1 ZINC000908417262 609653457 /nfs/dbraw/zinc/65/34/57/609653457.db2.gz GUUTZDOWVZVKHT-ZMSDIMECSA-N 1 3 325.453 0.155 20 0 ECADHO CCN1CC[C@H]2OCCN(C(=O)C[C@]3(O)CCC[N@@H+](C)C3)[C@H]2C1 ZINC000908417262 609653458 /nfs/dbraw/zinc/65/34/58/609653458.db2.gz GUUTZDOWVZVKHT-ZMSDIMECSA-N 1 3 325.453 0.155 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000938306955 609660875 /nfs/dbraw/zinc/66/08/75/609660875.db2.gz LSBPQJBEJLYPPB-LSDHHAIUSA-N 1 3 334.464 0.426 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)Cc1ccccc1 ZINC000910961191 609783274 /nfs/dbraw/zinc/78/32/74/609783274.db2.gz BCJVDGAGGQLNQQ-CVEARBPZSA-N 1 3 346.475 0.471 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)N1CCCCC1 ZINC000910946843 609785016 /nfs/dbraw/zinc/78/50/16/609785016.db2.gz QHICUACSBYOWJS-QAPCUYQASA-N 1 3 336.480 0.722 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)N1CCC(C)CC1 ZINC000911089894 609807725 /nfs/dbraw/zinc/80/77/25/609807725.db2.gz GKLSNEYCBMFHTI-JKSUJKDBSA-N 1 3 338.496 0.871 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCC1 ZINC000911113166 609811904 /nfs/dbraw/zinc/81/19/04/609811904.db2.gz HHHKZCIFCYEXTF-HUUCEWRRSA-N 1 3 330.432 0.328 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911162126 609817629 /nfs/dbraw/zinc/81/76/29/609817629.db2.gz PMXJHGBFCCWEJO-IAGOWNOFSA-N 1 3 344.459 0.575 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911257312 609837551 /nfs/dbraw/zinc/83/75/51/609837551.db2.gz GOFDQJIYNCRHJA-KSSFIOAISA-N 1 3 336.480 0.578 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911257721 609837590 /nfs/dbraw/zinc/83/75/90/609837590.db2.gz KTQSIOOCRJZUSC-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000911324654 609847860 /nfs/dbraw/zinc/84/78/60/609847860.db2.gz IUOPVKHAFLUOON-ATNYBXOESA-N 1 3 334.464 0.459 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000911532495 609886425 /nfs/dbraw/zinc/88/64/25/609886425.db2.gz MAFRUIDEFCTFCW-SOUVJXGZSA-N 1 3 336.480 0.420 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517656 609890383 /nfs/dbraw/zinc/89/03/83/609890383.db2.gz XEGVGWZEYCCHFD-KBRIMQKVSA-N 1 3 344.459 0.575 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517656 609890384 /nfs/dbraw/zinc/89/03/84/609890384.db2.gz XEGVGWZEYCCHFD-KBRIMQKVSA-N 1 3 344.459 0.575 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCCCN1CCN(C)CC1 ZINC000915126277 609905657 /nfs/dbraw/zinc/90/56/57/609905657.db2.gz ZSLGAZMPKAJFPK-MRXNPFEDSA-N 1 3 341.569 0.962 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCCCN1CCN(C)CC1 ZINC000915126277 609905658 /nfs/dbraw/zinc/90/56/58/609905658.db2.gz ZSLGAZMPKAJFPK-MRXNPFEDSA-N 1 3 341.569 0.962 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929956230 609955707 /nfs/dbraw/zinc/95/57/07/609955707.db2.gz TUAIXQXTTGLLDB-OAHLLOKOSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000939911361 610166123 /nfs/dbraw/zinc/16/61/23/610166123.db2.gz TVAJTGNXXANZAU-HOTGVXAUSA-N 1 3 345.447 0.353 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000942428525 610444481 /nfs/dbraw/zinc/44/44/81/610444481.db2.gz FVXXROHGSDPYAL-HZPDHXFCSA-N 1 3 348.491 0.816 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CCn3cncn3)CC2(C)C)C1 ZINC000941221652 610606607 /nfs/dbraw/zinc/60/66/07/610606607.db2.gz ZWILHZWXKDXURV-CABCVRRESA-N 1 3 334.468 0.447 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CCn3cncn3)CC2(C)C)C1 ZINC000941221652 610606609 /nfs/dbraw/zinc/60/66/09/610606609.db2.gz ZWILHZWXKDXURV-CABCVRRESA-N 1 3 334.468 0.447 20 0 ECADHO C[C@H]1CN(CCn2cncn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171147 610764365 /nfs/dbraw/zinc/76/43/65/610764365.db2.gz WVEAQIJALACQTE-LSDHHAIUSA-N 1 3 332.452 0.201 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000945550061 611074450 /nfs/dbraw/zinc/07/44/50/611074450.db2.gz OMKXXPFECYPLGO-UKRRQHHQSA-N 1 3 345.447 0.401 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000923202101 611214063 /nfs/dbraw/zinc/21/40/63/611214063.db2.gz YVANBGZMAKQUAV-BYNSBNAKSA-N 1 3 341.500 0.565 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000923202101 611214064 /nfs/dbraw/zinc/21/40/64/611214064.db2.gz YVANBGZMAKQUAV-BYNSBNAKSA-N 1 3 341.500 0.565 20 0 ECADHO CCN1CCN(C(=O)[C@H](C)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923449063 611244361 /nfs/dbraw/zinc/24/43/61/611244361.db2.gz JXOZASBERJNPNM-JKSUJKDBSA-N 1 3 338.496 0.369 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000946908135 611251054 /nfs/dbraw/zinc/25/10/54/611251054.db2.gz WXVZGTIJFWBHPC-UKRRQHHQSA-N 1 3 347.463 0.708 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000946908135 611251056 /nfs/dbraw/zinc/25/10/56/611251056.db2.gz WXVZGTIJFWBHPC-UKRRQHHQSA-N 1 3 347.463 0.708 20 0 ECADHO COCCOc1ccc(CNC(=O)CN2CC[C@H](CC[NH3+])C2)cc1 ZINC000923492463 611251307 /nfs/dbraw/zinc/25/13/07/611251307.db2.gz PAFNKWMVYXHELQ-INIZCTEOSA-N 1 3 335.448 0.999 20 0 ECADHO C[C@@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)CC[C@H]1C[NH3+] ZINC000923498541 611252160 /nfs/dbraw/zinc/25/21/60/611252160.db2.gz ORUPXBIYORSFTG-CABCVRRESA-N 1 3 332.452 0.042 20 0 ECADHO COc1ccc([C@H](C[NH3+])CN2CCC3(CC2)C[C@H](O)CNC3=O)cc1 ZINC000923525658 611255732 /nfs/dbraw/zinc/25/57/32/611255732.db2.gz JDIRPXWGBAOYJE-CVEARBPZSA-N 1 3 347.459 0.701 20 0 ECADHO COC(=O)[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]([C@H]2CCCO2)C1 ZINC000923556330 611260525 /nfs/dbraw/zinc/26/05/25/611260525.db2.gz WELBWFZOYRGLJQ-FXUDXRNXSA-N 1 3 338.448 0.940 20 0 ECADHO O=S(=O)(NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CNC1 ZINC000923607814 611328573 /nfs/dbraw/zinc/32/85/73/611328573.db2.gz HUNVEMTTZSRCCS-UHFFFAOYSA-N 1 3 339.461 0.552 20 0 ECADHO O=S(=O)(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N1CCNCC1 ZINC000923608464 611328633 /nfs/dbraw/zinc/32/86/33/611328633.db2.gz MQXDTCSRJOSRBN-MRXNPFEDSA-N 1 3 344.525 0.771 20 0 ECADHO O=S(=O)(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1CCNCC1 ZINC000923608464 611328636 /nfs/dbraw/zinc/32/86/36/611328636.db2.gz MQXDTCSRJOSRBN-MRXNPFEDSA-N 1 3 344.525 0.771 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCn1cncn1 ZINC000947936525 611747587 /nfs/dbraw/zinc/74/75/87/611747587.db2.gz WLRNSKQRWFSXTD-HUUCEWRRSA-N 1 3 332.452 0.343 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000929402450 611751754 /nfs/dbraw/zinc/75/17/54/611751754.db2.gz IXXSEKYDSGFDPB-RLFYNMQTSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000929402450 611751756 /nfs/dbraw/zinc/75/17/56/611751756.db2.gz IXXSEKYDSGFDPB-RLFYNMQTSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)NCCN1CCC(C)(C)C1)C(C)C ZINC000933845628 611752831 /nfs/dbraw/zinc/75/28/31/611752831.db2.gz ABYOOFORRQBQCZ-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)NCCN1CCC(C)(C)C1)C(C)C ZINC000933845628 611752832 /nfs/dbraw/zinc/75/28/32/611752832.db2.gz ABYOOFORRQBQCZ-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000929503929 611759992 /nfs/dbraw/zinc/75/99/92/611759992.db2.gz COEXXJSIOJGNHH-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000929503929 611759993 /nfs/dbraw/zinc/75/99/93/611759993.db2.gz COEXXJSIOJGNHH-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000950074350 611858080 /nfs/dbraw/zinc/85/80/80/611858080.db2.gz OAWTXOBNKSTAEE-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000950074350 611858081 /nfs/dbraw/zinc/85/80/81/611858081.db2.gz OAWTXOBNKSTAEE-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)[C@H](C(=O)N1CCOC2(CC[NH+](CCCO)CC2)C1)N(C)C ZINC000949182736 611892165 /nfs/dbraw/zinc/89/21/65/611892165.db2.gz ZJAILDUMDAYYPC-MRXNPFEDSA-N 1 3 341.496 0.648 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCOC3(CC[NH+](CCO)CC3)C2)C1 ZINC000949189468 611894441 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CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000951697033 612481568 /nfs/dbraw/zinc/48/15/68/612481568.db2.gz YFJWPCFBJLHWSS-HOCLYGCPSA-N 1 3 347.463 0.791 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955446094 612595652 /nfs/dbraw/zinc/59/56/52/612595652.db2.gz XZVRWURXKQVAKL-HNNXBMFYSA-N 1 3 347.463 0.884 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955446094 612595653 /nfs/dbraw/zinc/59/56/53/612595653.db2.gz XZVRWURXKQVAKL-HNNXBMFYSA-N 1 3 347.463 0.884 20 0 ECADHO O=C(CN1CCCC1)N1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000956020011 612617904 /nfs/dbraw/zinc/61/79/04/612617904.db2.gz AVHXPPDQSXTTIK-IRXDYDNUSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000954096078 612655150 /nfs/dbraw/zinc/65/51/50/612655150.db2.gz CJROPGIHIWVUNP-UHFFFAOYSA-N 1 3 345.447 0.497 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954821816 612713929 /nfs/dbraw/zinc/71/39/29/612713929.db2.gz CPTKPRVDHXNFKT-HNNXBMFYSA-N 1 3 334.464 0.378 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954834492 612727032 /nfs/dbraw/zinc/72/70/32/612727032.db2.gz BWTKGYHXTOFNGI-RHSMWYFYSA-N 1 3 338.496 0.584 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954834492 612727034 /nfs/dbraw/zinc/72/70/34/612727034.db2.gz BWTKGYHXTOFNGI-RHSMWYFYSA-N 1 3 338.496 0.584 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000954840612 612735726 /nfs/dbraw/zinc/73/57/26/612735726.db2.gz PSQCTWYQNPRWDI-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954840612 612735728 /nfs/dbraw/zinc/73/57/28/612735728.db2.gz PSQCTWYQNPRWDI-GJZGRUSLSA-N 1 3 336.480 0.482 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954326743 612857981 /nfs/dbraw/zinc/85/79/81/612857981.db2.gz UVYACMGDRSKXLO-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954326743 612857983 /nfs/dbraw/zinc/85/79/83/612857983.db2.gz UVYACMGDRSKXLO-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000956374266 612860979 /nfs/dbraw/zinc/86/09/79/612860979.db2.gz BXYLVOBTONODDY-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000956374266 612860980 /nfs/dbraw/zinc/86/09/80/612860980.db2.gz BXYLVOBTONODDY-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC000954357117 612873808 /nfs/dbraw/zinc/87/38/08/612873808.db2.gz NBNUQYRRBIERER-IRXDYDNUSA-N 1 3 348.491 0.338 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC000954413119 612897337 /nfs/dbraw/zinc/89/73/37/612897337.db2.gz VYEVCSKHTVXJSR-ARFHVFGLSA-N 1 3 338.496 0.726 20 0 ECADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC000954413119 612897338 /nfs/dbraw/zinc/89/73/38/612897338.db2.gz VYEVCSKHTVXJSR-ARFHVFGLSA-N 1 3 338.496 0.726 20 0 ECADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167051560 731561559 /nfs/dbraw/zinc/56/15/59/731561559.db2.gz RZZXURAUKLVIAP-OAHLLOKOSA-N 1 3 326.485 0.585 20 0 ECADHO CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167051573 731562159 /nfs/dbraw/zinc/56/21/59/731562159.db2.gz SNEWQMUDWCKJOX-MRXNPFEDSA-N 1 3 340.512 0.927 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC000969675164 732040396 /nfs/dbraw/zinc/04/03/96/732040396.db2.gz QAPOVZXAWJXVFS-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC000969675164 732040399 /nfs/dbraw/zinc/04/03/99/732040399.db2.gz QAPOVZXAWJXVFS-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCC(=O)N2CCCCC2)C1)[NH+](C)C ZINC000969846185 732435400 /nfs/dbraw/zinc/43/54/00/732435400.db2.gz PTLVOKAIULCBJH-NVXWUHKLSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCn2c(C)csc2=O)C1)N(C)C ZINC000969986152 732589386 /nfs/dbraw/zinc/58/93/86/732589386.db2.gz UBYUAFGBJCRBIW-KGLIPLIRSA-N 1 3 340.493 0.749 20 0 ECADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001167224954 733068078 /nfs/dbraw/zinc/06/80/78/733068078.db2.gz OZCXOQSQMLVCNA-HNNXBMFYSA-N 1 3 327.469 0.356 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001167225762 733069634 /nfs/dbraw/zinc/06/96/34/733069634.db2.gz ZWNAYUQPWQOJQI-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001167232925 733077205 /nfs/dbraw/zinc/07/72/05/733077205.db2.gz UTGWKWGBKCDVEQ-HNNXBMFYSA-N 1 3 336.480 0.437 20 0 ECADHO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000970720460 733870513 /nfs/dbraw/zinc/87/05/13/733870513.db2.gz UHJUIILSRHRZKR-MRXNPFEDSA-N 1 3 330.432 0.572 20 0 ECADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)CN3CCOCC3)C2)on1 ZINC000970727330 733877898 /nfs/dbraw/zinc/87/78/98/733877898.db2.gz HRSWWFUFVGWQMB-UKRRQHHQSA-N 1 3 336.436 0.642 20 0 ECADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104290972 734001258 /nfs/dbraw/zinc/00/12/58/734001258.db2.gz GXQHWTCVTIHZBQ-UNEWFSDZSA-N 1 3 338.496 0.489 20 0 ECADHO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001167385433 734112847 /nfs/dbraw/zinc/11/28/47/734112847.db2.gz CUZBYCYIGMYQQJ-HNNXBMFYSA-N 1 3 338.496 0.871 20 0 ECADHO COCCN1CCC(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891439960 734696856 /nfs/dbraw/zinc/69/68/56/734696856.db2.gz RVDRNQXWBQGYAZ-LBPRGKRZSA-N 1 3 334.411 0.641 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972232530 735817046 /nfs/dbraw/zinc/81/70/46/735817046.db2.gz RZOSCXQXQVTNKC-MRXNPFEDSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC000972236336 735824313 /nfs/dbraw/zinc/82/43/13/735824313.db2.gz BJCSHYGFMNTAJT-OWCLPIDISA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC000972236336 735824315 /nfs/dbraw/zinc/82/43/15/735824315.db2.gz BJCSHYGFMNTAJT-OWCLPIDISA-N 1 3 348.491 0.482 20 0 ECADHO O=C(N1CCO[C@@H]2CN(CC[C@@H]3CCCO3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249638 736028904 /nfs/dbraw/zinc/02/89/04/736028904.db2.gz ORRLBNPPAOERJA-YESZJQIVSA-N 1 3 349.475 0.563 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001022975745 736348477 /nfs/dbraw/zinc/34/84/77/736348477.db2.gz SXNPXQRSPOEUFG-FPMFFAJLSA-N 1 3 332.452 0.761 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001022975745 736348481 /nfs/dbraw/zinc/34/84/81/736348481.db2.gz SXNPXQRSPOEUFG-FPMFFAJLSA-N 1 3 332.452 0.761 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)c1 ZINC001023126266 736522005 /nfs/dbraw/zinc/52/20/05/736522005.db2.gz PVAKPRITJVDDIV-IXDOHACOSA-N 1 3 344.459 0.877 20 0 ECADHO CN(CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)Cc1c[nH]cn1 ZINC001067487803 736624624 /nfs/dbraw/zinc/62/46/24/736624624.db2.gz YRRXDPHNRMSCFG-MRXNPFEDSA-N 1 3 347.463 0.601 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023572689 737024478 /nfs/dbraw/zinc/02/44/78/737024478.db2.gz LFJRIDSNPJDKGA-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](C(N)=O)N1CCC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706996 737223943 /nfs/dbraw/zinc/22/39/43/737223943.db2.gz GBGDPIXQBGVDHI-STQMWFEESA-N 1 3 333.436 0.463 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706996 737223946 /nfs/dbraw/zinc/22/39/46/737223946.db2.gz GBGDPIXQBGVDHI-STQMWFEESA-N 1 3 333.436 0.463 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023706996 737223948 /nfs/dbraw/zinc/22/39/48/737223948.db2.gz GBGDPIXQBGVDHI-STQMWFEESA-N 1 3 333.436 0.463 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067466713 737630206 /nfs/dbraw/zinc/63/02/06/737630206.db2.gz GKSKIFPCVRDYHK-CVEARBPZSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067466713 737630212 /nfs/dbraw/zinc/63/02/12/737630212.db2.gz GKSKIFPCVRDYHK-CVEARBPZSA-N 1 3 338.496 0.587 20 0 ECADHO COc1nccc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001024263980 737870991 /nfs/dbraw/zinc/87/09/91/737870991.db2.gz LDUJBVAKTSUWQJ-LSDHHAIUSA-N 1 3 347.463 0.765 20 0 ECADHO COc1nccc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024263980 737870994 /nfs/dbraw/zinc/87/09/94/737870994.db2.gz LDUJBVAKTSUWQJ-LSDHHAIUSA-N 1 3 347.463 0.765 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024264431 737871303 /nfs/dbraw/zinc/87/13/03/737871303.db2.gz QSUJDDLBXFEULX-CABCVRRESA-N 1 3 334.468 0.578 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024264431 737871305 /nfs/dbraw/zinc/87/13/05/737871305.db2.gz QSUJDDLBXFEULX-CABCVRRESA-N 1 3 334.468 0.578 20 0 ECADHO CC(C)N(C)C(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678184 738004891 /nfs/dbraw/zinc/00/48/91/738004891.db2.gz BXNNWJSEOIPORZ-QQFBHYJXSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H](O)CN1CCCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024702617 738227812 /nfs/dbraw/zinc/22/78/12/738227812.db2.gz XSTOIYVEIPCVQM-ZBFHGGJFSA-N 1 3 337.468 0.410 20 0 ECADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)N(C)C ZINC001104732511 739569239 /nfs/dbraw/zinc/56/92/39/739569239.db2.gz WWGUIVSZWJUTIK-HZSPNIEDSA-N 1 3 335.452 0.503 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025780048 739938166 /nfs/dbraw/zinc/93/81/66/739938166.db2.gz NIIKMGFWZGYBCW-ZVDSWSACSA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025780048 739938170 /nfs/dbraw/zinc/93/81/70/739938170.db2.gz NIIKMGFWZGYBCW-ZVDSWSACSA-N 1 3 334.464 0.184 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001025818058 739991452 /nfs/dbraw/zinc/99/14/52/739991452.db2.gz OJDAPIWEIMYUJG-QXDIGNSFSA-N 1 3 343.475 0.946 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001025818058 739991456 /nfs/dbraw/zinc/99/14/56/739991456.db2.gz OJDAPIWEIMYUJG-QXDIGNSFSA-N 1 3 343.475 0.946 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC001026044196 740328705 /nfs/dbraw/zinc/32/87/05/740328705.db2.gz LNOHRBRWULYVTR-SOKJMZBUSA-N 1 3 331.464 0.207 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC001026044196 740328710 /nfs/dbraw/zinc/32/87/10/740328710.db2.gz LNOHRBRWULYVTR-SOKJMZBUSA-N 1 3 331.464 0.207 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001026044549 740329043 /nfs/dbraw/zinc/32/90/43/740329043.db2.gz PZRBIULZENAOHP-BHWRABCJSA-N 1 3 343.471 0.923 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001026044549 740329046 /nfs/dbraw/zinc/32/90/46/740329046.db2.gz PZRBIULZENAOHP-BHWRABCJSA-N 1 3 343.471 0.923 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099858 740373182 /nfs/dbraw/zinc/37/31/82/740373182.db2.gz IUEHEEZINUVLNH-SFFUCWETSA-N 1 3 343.475 0.946 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099858 740373188 /nfs/dbraw/zinc/37/31/88/740373188.db2.gz IUEHEEZINUVLNH-SFFUCWETSA-N 1 3 343.475 0.946 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COC)C1 ZINC001104809507 740542836 /nfs/dbraw/zinc/54/28/36/740542836.db2.gz IXKXOFUKKAAJRJ-BZUAXINKSA-N 1 3 329.485 0.410 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CCNCc1cnnn1C ZINC001104913904 740913689 /nfs/dbraw/zinc/91/36/89/740913689.db2.gz KLCXNSKFUQUXQP-HUUCEWRRSA-N 1 3 346.479 0.485 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000974185414 741073574 /nfs/dbraw/zinc/07/35/74/741073574.db2.gz MNTADNBBSUSASH-ZVDSWSACSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000974185414 741073578 /nfs/dbraw/zinc/07/35/78/741073578.db2.gz MNTADNBBSUSASH-ZVDSWSACSA-N 1 3 336.480 0.574 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000974350703 741377882 /nfs/dbraw/zinc/37/78/82/741377882.db2.gz XQDCAYQBSGFIGM-SCUASFONSA-N 1 3 333.436 0.222 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000974350703 741377886 /nfs/dbraw/zinc/37/78/86/741377886.db2.gz XQDCAYQBSGFIGM-SCUASFONSA-N 1 3 333.436 0.222 20 0 ECADHO CCCNCc1cn(C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105243147 741544241 /nfs/dbraw/zinc/54/42/41/741544241.db2.gz YAWISJSOTWEPDT-INIZCTEOSA-N 1 3 332.452 0.503 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1)[NH+](C)C ZINC001078238156 782539059 /nfs/dbraw/zinc/53/90/59/782539059.db2.gz FTJXQWLPHHDLBQ-HLLBOEOZSA-N 1 3 340.512 0.925 20 0 ECADHO COc1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)n1 ZINC001026734775 741741280 /nfs/dbraw/zinc/74/12/80/741741280.db2.gz SZUBUNYMCRFYBC-GOEBONIOSA-N 1 3 347.463 0.826 20 0 ECADHO C[NH+](C)CCCC(=O)N1CC(n2cc(CNCC3CCC3)nn2)C1 ZINC001105315219 741742627 /nfs/dbraw/zinc/74/26/27/741742627.db2.gz BZYXTPJQDXTOEF-UHFFFAOYSA-N 1 3 334.468 0.893 20 0 ECADHO Cn1cc(CNC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)nn1 ZINC001026912792 742073265 /nfs/dbraw/zinc/07/32/65/742073265.db2.gz UQRHVZMMAQMVSU-HNNXBMFYSA-N 1 3 346.479 0.629 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2c(C)nnn2CC)C1)N(C)C ZINC001026916742 742093814 /nfs/dbraw/zinc/09/38/14/742093814.db2.gz NJBYBOWSCUANDH-HUUCEWRRSA-N 1 3 336.484 0.885 20 0 ECADHO Cn1cc(CNC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001026938871 742131499 /nfs/dbraw/zinc/13/14/99/742131499.db2.gz QKHSEIQEZLDSID-AWEZNQCLSA-N 1 3 332.452 0.382 20 0 ECADHO C[C@H](NC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1nncn1C ZINC001026939628 742135321 /nfs/dbraw/zinc/13/53/21/742135321.db2.gz MBPPQUZKTRNMQL-LSDHHAIUSA-N 1 3 346.479 0.943 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001027234585 743248451 /nfs/dbraw/zinc/24/84/51/743248451.db2.gz ZSWKIFQYQBKAOY-NVXWUHKLSA-N 1 3 344.459 0.688 20 0 ECADHO C[C@@H](NC(=O)c1occc1CN(C)C)C1CC[NH+](CC(N)=O)CC1 ZINC000997280913 743442792 /nfs/dbraw/zinc/44/27/92/743442792.db2.gz SGCAXERXIWYBQP-GFCCVEGCSA-N 1 3 336.436 0.657 20 0 ECADHO CC[C@@H](C(N)=O)N1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997395291 743566763 /nfs/dbraw/zinc/56/67/63/743566763.db2.gz GLKGTMABINRGTR-HIFRSBDPSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1)C(N)=O ZINC001020587719 751846952 /nfs/dbraw/zinc/84/69/52/751846952.db2.gz RQNUVCFIIRYFRT-QHSOUUPTSA-N 1 3 328.432 0.310 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC1 ZINC000997884048 743869102 /nfs/dbraw/zinc/86/91/02/743869102.db2.gz AOZHVSGZQVFPTR-PMPSAXMXSA-N 1 3 345.447 0.542 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000998052005 743949158 /nfs/dbraw/zinc/94/91/58/743949158.db2.gz MCVKSRYEUPWUOK-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000998052005 743949163 /nfs/dbraw/zinc/94/91/63/743949163.db2.gz MCVKSRYEUPWUOK-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976546741 744070446 /nfs/dbraw/zinc/07/04/46/744070446.db2.gz OIMVLCNWEWDOHG-FIDHJVLJSA-N 1 3 348.491 0.386 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000976546741 744070449 /nfs/dbraw/zinc/07/04/49/744070449.db2.gz OIMVLCNWEWDOHG-FIDHJVLJSA-N 1 3 348.491 0.386 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000998289428 744101392 /nfs/dbraw/zinc/10/13/92/744101392.db2.gz LZFPSJWCIZPQTF-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO COc1coc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)cc1=O ZINC000998535079 744213962 /nfs/dbraw/zinc/21/39/62/744213962.db2.gz KCPILQPISVJGPH-SSDMNJCBSA-N 1 3 349.431 0.822 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000998556520 744226156 /nfs/dbraw/zinc/22/61/56/744226156.db2.gz NATGHBDRNOMGGM-OFLPRAFFSA-N 1 3 344.459 0.959 20 0 ECADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414202 744233141 /nfs/dbraw/zinc/23/31/41/744233141.db2.gz JSXYGZMPLRBVKM-SJORKVTESA-N 1 3 346.479 0.543 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000976697333 744242641 /nfs/dbraw/zinc/24/26/41/744242641.db2.gz PCGTZEFBCIMPCJ-RBSFLKMASA-N 1 3 347.463 0.756 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976697333 744242643 /nfs/dbraw/zinc/24/26/43/744242643.db2.gz PCGTZEFBCIMPCJ-RBSFLKMASA-N 1 3 347.463 0.756 20 0 ECADHO CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)N(C)C ZINC000998658053 744271609 /nfs/dbraw/zinc/27/16/09/744271609.db2.gz ZZQMFPHMJOBDND-QXSJWSMHSA-N 1 3 348.491 0.671 20 0 ECADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)C1CCC1 ZINC000999366085 744656880 /nfs/dbraw/zinc/65/68/80/744656880.db2.gz VBWMADWIYSIGBT-INIZCTEOSA-N 1 3 346.475 0.950 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999406774 744680545 /nfs/dbraw/zinc/68/05/45/744680545.db2.gz RCGGFOINFMKHQY-WLYUNCDWSA-N 1 3 334.468 0.861 20 0 ECADHO CCn1nncc1CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999406774 744680547 /nfs/dbraw/zinc/68/05/47/744680547.db2.gz RCGGFOINFMKHQY-WLYUNCDWSA-N 1 3 334.468 0.861 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000999467596 744712848 /nfs/dbraw/zinc/71/28/48/744712848.db2.gz CJBRBMZFPFVTQW-UHFFFAOYSA-N 1 3 329.404 0.430 20 0 ECADHO O=C(CN[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1)N1CCC1 ZINC000999488355 744718834 /nfs/dbraw/zinc/71/88/34/744718834.db2.gz DWBXVJBFHKUBBW-MRXNPFEDSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000977198084 744773189 /nfs/dbraw/zinc/77/31/89/744773189.db2.gz YBUCTHFXMNEDIU-XHWCBRGXSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000977198084 744773192 /nfs/dbraw/zinc/77/31/92/744773192.db2.gz YBUCTHFXMNEDIU-XHWCBRGXSA-N 1 3 348.491 0.386 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999850146 744943543 /nfs/dbraw/zinc/94/35/43/744943543.db2.gz WICYAZOMNVCNDT-RDTXWAMCSA-N 1 3 348.491 0.672 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000999865087 744962192 /nfs/dbraw/zinc/96/21/92/744962192.db2.gz SOBMSJZIPOQJJK-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000999865087 744962197 /nfs/dbraw/zinc/96/21/97/744962197.db2.gz SOBMSJZIPOQJJK-OAHLLOKOSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000999903844 745040428 /nfs/dbraw/zinc/04/04/28/745040428.db2.gz ISKUZCIKEVSHDN-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000999903844 745040434 /nfs/dbraw/zinc/04/04/34/745040434.db2.gz ISKUZCIKEVSHDN-CQSZACIVSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)N1CCCCC1 ZINC000983676881 745045445 /nfs/dbraw/zinc/04/54/45/745045445.db2.gz DKRHNOOIGZFMNS-RBSFLKMASA-N 1 3 336.480 0.624 20 0 ECADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)o1 ZINC000983715824 745091988 /nfs/dbraw/zinc/09/19/88/745091988.db2.gz KRCGBCHMKIHZDJ-KCYZZUKISA-N 1 3 348.447 0.831 20 0 ECADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)o1 ZINC000983715824 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CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101443721 749098691 /nfs/dbraw/zinc/09/86/91/749098691.db2.gz PPUPFRFLSCKKEW-WBVHZDCISA-N 1 3 334.468 0.400 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101443721 749098700 /nfs/dbraw/zinc/09/87/00/749098700.db2.gz PPUPFRFLSCKKEW-WBVHZDCISA-N 1 3 334.468 0.400 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003975701 749098883 /nfs/dbraw/zinc/09/88/83/749098883.db2.gz NSLWQEIVZMBLRP-MRXNPFEDSA-N 1 3 348.495 0.817 20 0 ECADHO Cc1nc(C)n(CCN2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003975701 749098889 /nfs/dbraw/zinc/09/88/89/749098889.db2.gz NSLWQEIVZMBLRP-MRXNPFEDSA-N 1 3 348.495 0.817 20 0 ECADHO CN(CC(=O)N1CCCC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985786971 749102680 /nfs/dbraw/zinc/10/26/80/749102680.db2.gz GRNHPHZISMFSAX-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CC(=O)N1CCCC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985786971 749102683 /nfs/dbraw/zinc/10/26/83/749102683.db2.gz GRNHPHZISMFSAX-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001004070709 749180081 /nfs/dbraw/zinc/18/00/81/749180081.db2.gz NKHPRXZRQVGWGW-UHFFFAOYSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2CCc2cnn(C)c2)CC[N@@H+]1C ZINC001027895261 749198080 /nfs/dbraw/zinc/19/80/80/749198080.db2.gz UBTRTOFUDVGKMU-HYVNUMGLSA-N 1 3 333.480 0.883 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2CCc2cnn(C)c2)CC[N@H+]1C ZINC001027895261 749198083 /nfs/dbraw/zinc/19/80/83/749198083.db2.gz UBTRTOFUDVGKMU-HYVNUMGLSA-N 1 3 333.480 0.883 20 0 ECADHO CN(CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1)C1CCC1 ZINC001004460069 749527416 /nfs/dbraw/zinc/52/74/16/749527416.db2.gz UVUKPULBYKQQNO-MRXNPFEDSA-N 1 3 336.480 0.659 20 0 ECADHO CN(CC(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1)C1CCC1 ZINC001004460069 749527423 /nfs/dbraw/zinc/52/74/23/749527423.db2.gz UVUKPULBYKQQNO-MRXNPFEDSA-N 1 3 336.480 0.659 20 0 ECADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980479815 749629693 /nfs/dbraw/zinc/62/96/93/749629693.db2.gz XUIUIWXYEPEZDK-INIZCTEOSA-N 1 3 334.468 0.687 20 0 ECADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000980703182 749990634 /nfs/dbraw/zinc/99/06/34/749990634.db2.gz CCZARUMPFFIFMK-HIFRSBDPSA-N 1 3 343.431 0.678 20 0 ECADHO C[C@H]1C[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)CN1C(=O)CN1CCCC1 ZINC000980800542 750180873 /nfs/dbraw/zinc/18/08/73/750180873.db2.gz QWNYUYDFKORGAL-DOTOQJQBSA-N 1 3 346.475 0.808 20 0 ECADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987359305 750753798 /nfs/dbraw/zinc/75/37/98/750753798.db2.gz NEXXGEISGUAUIP-HOCLYGCPSA-N 1 3 331.464 0.903 20 0 ECADHO COC[C@H](C)N1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646705 750930694 /nfs/dbraw/zinc/93/06/94/750930694.db2.gz RYIPAOLIBRGGNR-VUGNNNGISA-N 1 3 337.464 0.419 20 0 ECADHO COC[C@H](C)N1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646705 750930698 /nfs/dbraw/zinc/93/06/98/750930698.db2.gz RYIPAOLIBRGGNR-VUGNNNGISA-N 1 3 337.464 0.419 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC001006185481 751099516 /nfs/dbraw/zinc/09/95/16/751099516.db2.gz SDSUROIHWGSCJG-VBNZEHGJSA-N 1 3 347.463 0.646 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC001006185481 751099521 /nfs/dbraw/zinc/09/95/21/751099521.db2.gz SDSUROIHWGSCJG-VBNZEHGJSA-N 1 3 347.463 0.646 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001021044255 752471062 /nfs/dbraw/zinc/47/10/62/752471062.db2.gz LFLREVNPECGGQD-AVGNSLFASA-N 1 3 335.404 0.337 20 0 ECADHO COc1coc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001021044255 752471070 /nfs/dbraw/zinc/47/10/70/752471070.db2.gz LFLREVNPECGGQD-AVGNSLFASA-N 1 3 335.404 0.337 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001021089968 752530253 /nfs/dbraw/zinc/53/02/53/752530253.db2.gz DRTJQADNRGCXTR-KLHDSHLOSA-N 1 3 336.480 0.718 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001021094566 752534939 /nfs/dbraw/zinc/53/49/39/752534939.db2.gz TZKYRCALABARRA-IIAWOOMASA-N 1 3 330.432 0.487 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000938038560 752730395 /nfs/dbraw/zinc/73/03/95/752730395.db2.gz BWEUUISAWRYKHV-QLFBSQMISA-N 1 3 336.480 0.528 20 0 ECADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000938038560 752730397 /nfs/dbraw/zinc/73/03/97/752730397.db2.gz BWEUUISAWRYKHV-QLFBSQMISA-N 1 3 336.480 0.528 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)n1 ZINC000988968012 753090677 /nfs/dbraw/zinc/09/06/77/753090677.db2.gz QSSLBQCXNVUZMS-XJKSGUPXSA-N 1 3 348.495 0.958 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001059978217 753909970 /nfs/dbraw/zinc/90/99/70/753909970.db2.gz FXWXDGOFVZDFIJ-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000989449491 753944725 /nfs/dbraw/zinc/94/47/25/753944725.db2.gz IDRWKPQLPBNWMV-XJKSGUPXSA-N 1 3 332.448 0.469 20 0 ECADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051515723 762261359 /nfs/dbraw/zinc/26/13/59/762261359.db2.gz MJLNEAQXQGDMKE-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CCn1cc(CC[NH2+][C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC000989493479 754027233 /nfs/dbraw/zinc/02/72/33/754027233.db2.gz UWQHWYYGDFTMOA-XJKSGUPXSA-N 1 3 330.436 0.990 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC000990278956 754934514 /nfs/dbraw/zinc/93/45/14/754934514.db2.gz SUEWEJVJJWAQBO-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC001028764863 755027034 /nfs/dbraw/zinc/02/70/34/755027034.db2.gz MXKLLNXSCFOATE-CYBMUJFWSA-N 1 3 348.447 0.672 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001028764863 755027036 /nfs/dbraw/zinc/02/70/36/755027036.db2.gz MXKLLNXSCFOATE-CYBMUJFWSA-N 1 3 348.447 0.672 20 0 ECADHO CN(C)Cc1ccoc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001028764863 755027037 /nfs/dbraw/zinc/02/70/37/755027037.db2.gz MXKLLNXSCFOATE-CYBMUJFWSA-N 1 3 348.447 0.672 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001060037854 755221029 /nfs/dbraw/zinc/22/10/29/755221029.db2.gz NYFDDUMZERPUKN-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO CCCN(C)CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001060037854 755221035 /nfs/dbraw/zinc/22/10/35/755221035.db2.gz NYFDDUMZERPUKN-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000983368775 755433479 /nfs/dbraw/zinc/43/34/79/755433479.db2.gz KNGFZXYRXFMUSO-KKUMJFAQSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000983368775 755433481 /nfs/dbraw/zinc/43/34/81/755433481.db2.gz KNGFZXYRXFMUSO-KKUMJFAQSA-N 1 3 347.463 0.647 20 0 ECADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001010368463 756049272 /nfs/dbraw/zinc/04/92/72/756049272.db2.gz DPEDWZQYGMOPCZ-CVEARBPZSA-N 1 3 330.432 0.570 20 0 ECADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC001010368463 756049277 /nfs/dbraw/zinc/04/92/77/756049277.db2.gz DPEDWZQYGMOPCZ-CVEARBPZSA-N 1 3 330.432 0.570 20 0 ECADHO Cn1cc(CNC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CCO2)cn1 ZINC001051616641 762483418 /nfs/dbraw/zinc/48/34/18/762483418.db2.gz KTWXZBLCLMMCRO-IRXDYDNUSA-N 1 3 347.463 0.079 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001076587762 756691731 /nfs/dbraw/zinc/69/17/31/756691731.db2.gz CNTRBYBXZJUEJR-KKUMJFAQSA-N 1 3 326.485 0.535 20 0 ECADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001076587762 756691735 /nfs/dbraw/zinc/69/17/35/756691735.db2.gz CNTRBYBXZJUEJR-KKUMJFAQSA-N 1 3 326.485 0.535 20 0 ECADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001076628461 756749874 /nfs/dbraw/zinc/74/98/74/756749874.db2.gz OHPIWQSGXZXJMB-BBRMVZONSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001076658271 756798193 /nfs/dbraw/zinc/79/81/93/756798193.db2.gz PBUCKTKVQVTLRH-CWRNSKLLSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(CC(=O)N(C)C4CC4)C[C@H]3C2)CC[N@@H+]1C ZINC001048829113 757128055 /nfs/dbraw/zinc/12/80/55/757128055.db2.gz HIJPZBGENCRFCJ-PNBKFKSVSA-N 1 3 348.491 0.338 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(CC(=O)N(C)C4CC4)C[C@H]3C2)CC[N@H+]1C ZINC001048829113 757128058 /nfs/dbraw/zinc/12/80/58/757128058.db2.gz HIJPZBGENCRFCJ-PNBKFKSVSA-N 1 3 348.491 0.338 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1)C1CC1 ZINC001048863499 757217355 /nfs/dbraw/zinc/21/73/55/757217355.db2.gz DPGDIZKHJPIOMF-IXDOHACOSA-N 1 3 331.464 0.614 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1)C1CC1 ZINC001048863499 757217357 /nfs/dbraw/zinc/21/73/57/757217357.db2.gz DPGDIZKHJPIOMF-IXDOHACOSA-N 1 3 331.464 0.614 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011261539 757318229 /nfs/dbraw/zinc/31/82/29/757318229.db2.gz ATSMPFPLDCUQBY-HNNXBMFYSA-N 1 3 347.463 0.601 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011261539 757318240 /nfs/dbraw/zinc/31/82/40/757318240.db2.gz ATSMPFPLDCUQBY-HNNXBMFYSA-N 1 3 347.463 0.601 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC001011263953 757330461 /nfs/dbraw/zinc/33/04/61/757330461.db2.gz UBONWGJNLIRIRA-RHSMWYFYSA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC001011263953 757330474 /nfs/dbraw/zinc/33/04/74/757330474.db2.gz UBONWGJNLIRIRA-RHSMWYFYSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001011264773 757335216 /nfs/dbraw/zinc/33/52/16/757335216.db2.gz RBFHPMDVBBSGDA-PBHICJAKSA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001011264773 757335226 /nfs/dbraw/zinc/33/52/26/757335226.db2.gz RBFHPMDVBBSGDA-PBHICJAKSA-N 1 3 336.480 0.339 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)CN2CCC[C@H]2C)CC1)[NH+](C)C ZINC001011268220 757347279 /nfs/dbraw/zinc/34/72/79/757347279.db2.gz WGONLJHPVPWPCI-WBVHZDCISA-N 1 3 338.496 0.728 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001011321869 757512490 /nfs/dbraw/zinc/51/24/90/757512490.db2.gz ZENQVXCUSLJAHR-HOTGVXAUSA-N 1 3 345.447 0.640 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001011321869 757512498 /nfs/dbraw/zinc/51/24/98/757512498.db2.gz ZENQVXCUSLJAHR-HOTGVXAUSA-N 1 3 345.447 0.640 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1)N(C)C ZINC001011322452 757515473 /nfs/dbraw/zinc/51/54/73/757515473.db2.gz AWYPNORHVJZMEO-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1)N(C)C ZINC001011322452 757515480 /nfs/dbraw/zinc/51/54/80/757515480.db2.gz AWYPNORHVJZMEO-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048959560 757518212 /nfs/dbraw/zinc/51/82/12/757518212.db2.gz LNTGCBKZALFIGH-LLLHUVSDSA-N 1 3 348.491 0.386 20 0 ECADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001076924248 757611803 /nfs/dbraw/zinc/61/18/03/757611803.db2.gz GPYJAZBUEUEFDA-GOEBONIOSA-N 1 3 328.501 0.924 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000996428530 757653908 /nfs/dbraw/zinc/65/39/08/757653908.db2.gz GOVYSFOITIQPPZ-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C)[NH+](C)C ZINC001076974374 757816657 /nfs/dbraw/zinc/81/66/57/757816657.db2.gz RTRILSVNJYHWKF-BPUTZDHNSA-N 1 3 340.512 0.924 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2C1)N(C)C ZINC001049064376 757852747 /nfs/dbraw/zinc/85/27/47/757852747.db2.gz FIQJBFYBORNRJK-UXLLHSPISA-N 1 3 333.480 0.693 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2C1)N(C)C ZINC001049064376 757852759 /nfs/dbraw/zinc/85/27/59/757852759.db2.gz FIQJBFYBORNRJK-UXLLHSPISA-N 1 3 333.480 0.693 20 0 ECADHO CCN1CC[C@@H](N[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1=O ZINC000996517793 757924426 /nfs/dbraw/zinc/92/44/26/757924426.db2.gz ANESRZXSXINDQL-CABCVRRESA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC001021803648 757935405 /nfs/dbraw/zinc/93/54/05/757935405.db2.gz DGDWGKSXYPTMMG-OCVGTWLNSA-N 1 3 345.447 0.352 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC001021803648 757935409 /nfs/dbraw/zinc/93/54/09/757935409.db2.gz DGDWGKSXYPTMMG-OCVGTWLNSA-N 1 3 345.447 0.352 20 0 ECADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001077021370 757958320 /nfs/dbraw/zinc/95/83/20/757958320.db2.gz YKWNLPOABOCITR-GUYCJALGSA-N 1 3 338.496 0.822 20 0 ECADHO CN(C)[C@H](C(=O)N1CCO[C@@H](C[NH2+]CC2CCOCC2)C1)C1CC1 ZINC001051653877 762598668 /nfs/dbraw/zinc/59/86/68/762598668.db2.gz BKDBIROUFFWLKG-IRXDYDNUSA-N 1 3 339.480 0.570 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CCO[C@H](CNCc2cncs2)C1)C1CC1 ZINC001051654407 762602325 /nfs/dbraw/zinc/60/23/25/762602325.db2.gz MQQJHGKNOHABJI-UKRRQHHQSA-N 1 3 338.477 0.800 20 0 ECADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996618847 758257665 /nfs/dbraw/zinc/25/76/65/758257665.db2.gz GHPVLTKYTYPCJE-HZPDHXFCSA-N 1 3 347.463 0.364 20 0 ECADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000996618847 758257675 /nfs/dbraw/zinc/25/76/75/758257675.db2.gz GHPVLTKYTYPCJE-HZPDHXFCSA-N 1 3 347.463 0.364 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022118905 758299481 /nfs/dbraw/zinc/29/94/81/758299481.db2.gz AFIOYIVNWLRVQY-QXSJWSMHSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022118905 758299493 /nfs/dbraw/zinc/29/94/93/758299493.db2.gz AFIOYIVNWLRVQY-QXSJWSMHSA-N 1 3 334.420 0.583 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccns2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022121147 758304637 /nfs/dbraw/zinc/30/46/37/758304637.db2.gz YIMOEUVVXJQSIT-XFMPKHEZSA-N 1 3 336.461 0.743 20 0 ECADHO O=C(N[C@H]1C[C@@H](NCc2ccns2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001022121147 758304643 /nfs/dbraw/zinc/30/46/43/758304643.db2.gz YIMOEUVVXJQSIT-XFMPKHEZSA-N 1 3 336.461 0.743 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001022122730 758310280 /nfs/dbraw/zinc/31/02/80/758310280.db2.gz XTGCJVBBZUBPJO-VVLHAWIVSA-N 1 3 330.432 0.682 20 0 ECADHO CN(CC(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1)C1CCC1 ZINC000996667497 758397196 /nfs/dbraw/zinc/39/71/96/758397196.db2.gz ZLGBWRCCGRTAFU-UHFFFAOYSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccn(C)c(=O)c2)CC1)C1CC1 ZINC000996678970 758452273 /nfs/dbraw/zinc/45/22/73/758452273.db2.gz PETMRGRDTCJOOA-SFHVURJKSA-N 1 3 346.475 0.806 20 0 ECADHO O=C(NCCNCc1ccnc(Cl)c1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779189 758644476 /nfs/dbraw/zinc/64/44/76/758644476.db2.gz JUDJMQWVTDLDHJ-UONOGXRCSA-N 1 3 338.839 0.804 20 0 ECADHO O=C(NCCNCc1ccnc(Cl)c1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779189 758644479 /nfs/dbraw/zinc/64/44/79/758644479.db2.gz JUDJMQWVTDLDHJ-UONOGXRCSA-N 1 3 338.839 0.804 20 0 ECADHO Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001022451713 758741679 /nfs/dbraw/zinc/74/16/79/758741679.db2.gz GAMITZCNWCEEOL-BRYNBVAQSA-N 1 3 345.447 0.020 20 0 ECADHO Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001022451712 758741940 /nfs/dbraw/zinc/74/19/40/758741940.db2.gz GAMITZCNWCEEOL-ARZLQRMSSA-N 1 3 345.447 0.020 20 0 ECADHO O=C(N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022455361 758748091 /nfs/dbraw/zinc/74/80/91/758748091.db2.gz SJZXCQRSBIDIBH-KNCUHPLJSA-N 1 3 349.475 0.513 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001022716589 759031630 /nfs/dbraw/zinc/03/16/30/759031630.db2.gz ATMXYKSKZNOLFR-GASCZTMLSA-N 1 3 336.480 0.578 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)n1 ZINC001022716355 759032380 /nfs/dbraw/zinc/03/23/80/759032380.db2.gz VNIUEVBUZCWNRR-WQVCFCJDSA-N 1 3 334.468 0.474 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1=O ZINC001022717433 759034235 /nfs/dbraw/zinc/03/42/35/759034235.db2.gz WKQFBBNGBVGYTP-XPCVCDNBSA-N 1 3 349.431 0.583 20 0 ECADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1=O ZINC001022717433 759034243 /nfs/dbraw/zinc/03/42/43/759034243.db2.gz WKQFBBNGBVGYTP-XPCVCDNBSA-N 1 3 349.431 0.583 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001022808833 759130304 /nfs/dbraw/zinc/13/03/04/759130304.db2.gz CIAUPRQIFJQETK-GASCZTMLSA-N 1 3 334.468 0.767 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)[C@H](C)C1 ZINC001107042541 759504004 /nfs/dbraw/zinc/50/40/04/759504004.db2.gz QYWBFFIUYAZWFJ-BZUAXINKSA-N 1 3 348.495 0.790 20 0 ECADHO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001083633114 759871634 /nfs/dbraw/zinc/87/16/34/759871634.db2.gz HQGTULKSFIQSLB-MAZHCROVSA-N 1 3 345.403 0.077 20 0 ECADHO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001083633114 759871642 /nfs/dbraw/zinc/87/16/42/759871642.db2.gz HQGTULKSFIQSLB-MAZHCROVSA-N 1 3 345.403 0.077 20 0 ECADHO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001083633115 759872073 /nfs/dbraw/zinc/87/20/73/759872073.db2.gz HQGTULKSFIQSLB-WQVCFCJDSA-N 1 3 345.403 0.077 20 0 ECADHO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001083633115 759872080 /nfs/dbraw/zinc/87/20/80/759872080.db2.gz HQGTULKSFIQSLB-WQVCFCJDSA-N 1 3 345.403 0.077 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001054298001 767907493 /nfs/dbraw/zinc/90/74/93/767907493.db2.gz MLGLXJQFXZGYNP-HLLBOEOZSA-N 1 3 348.495 0.932 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001054298429 767907533 /nfs/dbraw/zinc/90/75/33/767907533.db2.gz PZKHIYUZXIDLFX-OAGGEKHMSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911518256 760347845 /nfs/dbraw/zinc/34/78/45/760347845.db2.gz RGPBIKLFQSMARH-USXIJHARSA-N 1 3 344.459 0.668 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911518256 760347854 /nfs/dbraw/zinc/34/78/54/760347854.db2.gz RGPBIKLFQSMARH-USXIJHARSA-N 1 3 344.459 0.668 20 0 ECADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050521409 760420237 /nfs/dbraw/zinc/42/02/37/760420237.db2.gz OYFGSOSNURYJEC-HOCLYGCPSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCn2cncn2)CC3)C1 ZINC001050662638 760638299 /nfs/dbraw/zinc/63/82/99/760638299.db2.gz KVPXOEJTRNHIPB-INIZCTEOSA-N 1 3 346.479 0.544 20 0 ECADHO C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001048527953 760665372 /nfs/dbraw/zinc/66/53/72/760665372.db2.gz QWVXKAREQOUVKV-YTQIUSBHSA-N 1 3 336.480 0.560 20 0 ECADHO C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048527953 760665377 /nfs/dbraw/zinc/66/53/77/760665377.db2.gz QWVXKAREQOUVKV-YTQIUSBHSA-N 1 3 336.480 0.560 20 0 ECADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127067513 760709665 /nfs/dbraw/zinc/70/96/65/760709665.db2.gz YXKILCWMWLBMSJ-AWEZNQCLSA-N 1 3 326.485 0.870 20 0 ECADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127067513 760709674 /nfs/dbraw/zinc/70/96/74/760709674.db2.gz YXKILCWMWLBMSJ-AWEZNQCLSA-N 1 3 326.485 0.870 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050728282 760741187 /nfs/dbraw/zinc/74/11/87/760741187.db2.gz QTGVOSOKTTXZOZ-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050728282 760741193 /nfs/dbraw/zinc/74/11/93/760741193.db2.gz QTGVOSOKTTXZOZ-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001050732134 760749593 /nfs/dbraw/zinc/74/95/93/760749593.db2.gz HKFOSHNFGCJNIN-OAHLLOKOSA-N 1 3 348.491 0.483 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)C1 ZINC001050754243 760782362 /nfs/dbraw/zinc/78/23/62/760782362.db2.gz SIHCBMQXYIBCQY-CABCVRRESA-N 1 3 334.464 0.141 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)C1 ZINC001050754243 760782367 /nfs/dbraw/zinc/78/23/67/760782367.db2.gz SIHCBMQXYIBCQY-CABCVRRESA-N 1 3 334.464 0.141 20 0 ECADHO CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001083723765 767981051 /nfs/dbraw/zinc/98/10/51/767981051.db2.gz ZYVKXPQFGZJGFW-PMPSAXMXSA-N 1 3 325.453 0.223 20 0 ECADHO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001083723765 767981056 /nfs/dbraw/zinc/98/10/56/767981056.db2.gz ZYVKXPQFGZJGFW-PMPSAXMXSA-N 1 3 325.453 0.223 20 0 ECADHO Cn1ncnc1CNC[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001048624077 760807236 /nfs/dbraw/zinc/80/72/36/760807236.db2.gz FLEZNEDCGGAXTF-JYJNAYRXSA-N 1 3 348.495 0.779 20 0 ECADHO Cn1ncnc1CNC[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001048624077 760807247 /nfs/dbraw/zinc/80/72/47/760807247.db2.gz FLEZNEDCGGAXTF-JYJNAYRXSA-N 1 3 348.495 0.779 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991423850 760856637 /nfs/dbraw/zinc/85/66/37/760856637.db2.gz HBAOMGIVFOEJRB-ZBFHGGJFSA-N 1 3 336.480 0.528 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991423850 760856647 /nfs/dbraw/zinc/85/66/47/760856647.db2.gz HBAOMGIVFOEJRB-ZBFHGGJFSA-N 1 3 336.480 0.528 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC001017464166 768012318 /nfs/dbraw/zinc/01/23/18/768012318.db2.gz DMIXYZZYPVGECJ-DLBZAZTESA-N 1 3 348.491 0.553 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC001017464166 768012326 /nfs/dbraw/zinc/01/23/26/768012326.db2.gz DMIXYZZYPVGECJ-DLBZAZTESA-N 1 3 348.491 0.553 20 0 ECADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC001051830515 763069085 /nfs/dbraw/zinc/06/90/85/763069085.db2.gz NMEGMXGNNGCHSI-HOTGVXAUSA-N 1 3 337.468 0.386 20 0 ECADHO O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031857057 763090858 /nfs/dbraw/zinc/09/08/58/763090858.db2.gz PRLNWYPNQRPCNH-URSIVYNOSA-N 1 3 349.475 0.324 20 0 ECADHO CC1CC(C[NH+]2CC(CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001031857398 763092863 /nfs/dbraw/zinc/09/28/63/763092863.db2.gz UFLUOUUAOXBXOX-QBNKABOXSA-N 1 3 333.476 0.944 20 0 ECADHO Cn1cc(CNC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CCO2)cn1 ZINC001051858666 763130476 /nfs/dbraw/zinc/13/04/76/763130476.db2.gz POVYQVJBHADHSY-QGZVFWFLSA-N 1 3 349.479 0.469 20 0 ECADHO CC(C)CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660459 763150597 /nfs/dbraw/zinc/15/05/97/763150597.db2.gz XDMIHMUKGDZHFS-ARFHVFGLSA-N 1 3 340.512 0.973 20 0 ECADHO CC(C)CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660459 763150601 /nfs/dbraw/zinc/15/06/01/763150601.db2.gz XDMIHMUKGDZHFS-ARFHVFGLSA-N 1 3 340.512 0.973 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(CCCN3CCCC3=O)C2)C1 ZINC001046837902 763203660 /nfs/dbraw/zinc/20/36/60/763203660.db2.gz CRERSCUMRFPNLK-CRAIPNDOSA-N 1 3 336.480 0.531 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(CCCN3CCCC3=O)C2)C1 ZINC001046837902 763203670 /nfs/dbraw/zinc/20/36/70/763203670.db2.gz CRERSCUMRFPNLK-CRAIPNDOSA-N 1 3 336.480 0.531 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051902392 763280167 /nfs/dbraw/zinc/28/01/67/763280167.db2.gz DMZFXUPTFAQNMM-WBVHZDCISA-N 1 3 347.463 0.444 20 0 ECADHO Cc1ncc(CNC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051902392 763280173 /nfs/dbraw/zinc/28/01/73/763280173.db2.gz DMZFXUPTFAQNMM-WBVHZDCISA-N 1 3 347.463 0.444 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001051943502 763409740 /nfs/dbraw/zinc/40/97/40/763409740.db2.gz MMLWLQBTQRCZKK-IRXDYDNUSA-N 1 3 349.479 0.612 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCCO)CCC2(F)F)CC[N@@H+]1C ZINC001046944192 763432817 /nfs/dbraw/zinc/43/28/17/763432817.db2.gz KMLJKOOMKLZZPC-MGPQQGTHSA-N 1 3 333.423 0.782 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCCO)CCC2(F)F)CC[N@H+]1C ZINC001046944192 763432820 /nfs/dbraw/zinc/43/28/20/763432820.db2.gz KMLJKOOMKLZZPC-MGPQQGTHSA-N 1 3 333.423 0.782 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@@H]2CN(CCCO)CCC2(F)F)CC1 ZINC001046969621 763487341 /nfs/dbraw/zinc/48/73/41/763487341.db2.gz CFHVPAVRFRFQPP-CQSZACIVSA-N 1 3 333.423 0.784 20 0 ECADHO CC(C)(C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)N1CCCCC1 ZINC001127322031 768149479 /nfs/dbraw/zinc/14/94/79/768149479.db2.gz KDKJQEKKVMHOBA-AWEZNQCLSA-N 1 3 334.468 0.736 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106336547 768159535 /nfs/dbraw/zinc/15/95/35/768159535.db2.gz TWWAVBKECQXLDY-HUUCEWRRSA-N 1 3 329.485 0.410 20 0 ECADHO O=C(N[C@H]1CCN(CCn2cncn2)C1)c1ccn2c[nH+]cc2c1 ZINC001015114725 763918533 /nfs/dbraw/zinc/91/85/33/763918533.db2.gz RLSXPUYGMNIIEH-AWEZNQCLSA-N 1 3 325.376 0.430 20 0 ECADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001077475586 763995085 /nfs/dbraw/zinc/99/50/85/763995085.db2.gz MNQZORATMFMISU-HNNXBMFYSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC2CCCC2)CC[N@@H+]1C ZINC001127706550 764289484 /nfs/dbraw/zinc/28/94/84/764289484.db2.gz MSBZNDBECNLHIV-VNQPRFMTSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC2CCCC2)CC[N@H+]1C ZINC001127706550 764289488 /nfs/dbraw/zinc/28/94/88/764289488.db2.gz MSBZNDBECNLHIV-VNQPRFMTSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC001054736780 768210565 /nfs/dbraw/zinc/21/05/65/768210565.db2.gz NUDNINQUENACTH-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001054739021 768214426 /nfs/dbraw/zinc/21/44/26/768214426.db2.gz RSRKBODDCAHLOE-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC001054739394 768215817 /nfs/dbraw/zinc/21/58/17/768215817.db2.gz SFUVUQVFDDJSAU-ZBFHGGJFSA-N 1 3 333.480 0.883 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CCC1 ZINC000991894887 764458525 /nfs/dbraw/zinc/45/85/25/764458525.db2.gz QUGHQPYEUZZFOI-INIZCTEOSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)C1 ZINC001060408252 764738260 /nfs/dbraw/zinc/73/82/60/764738260.db2.gz GCEDDBFDJUEHGO-HZPDHXFCSA-N 1 3 338.496 0.635 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)C1 ZINC001060408250 764738572 /nfs/dbraw/zinc/73/85/72/764738572.db2.gz GCEDDBFDJUEHGO-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO Cc1ccccc1CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047626837 764920192 /nfs/dbraw/zinc/92/01/92/764920192.db2.gz HHJLKTKFSCMSCA-BZSNNMDCSA-N 1 3 331.460 0.950 20 0 ECADHO Cc1ccccc1CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047626837 764920197 /nfs/dbraw/zinc/92/01/97/764920197.db2.gz HHJLKTKFSCMSCA-BZSNNMDCSA-N 1 3 331.460 0.950 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001052783816 765114550 /nfs/dbraw/zinc/11/45/50/765114550.db2.gz UHNHTWPONMXFIG-CABCVRRESA-N 1 3 326.485 0.489 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001016325542 766116820 /nfs/dbraw/zinc/11/68/20/766116820.db2.gz MNOKKCVCPCILNE-UYSNPLJNSA-N 1 3 348.491 0.815 20 0 ECADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001053503709 766249158 /nfs/dbraw/zinc/24/91/58/766249158.db2.gz OVJMRHOEEATQDV-KGLIPLIRSA-N 1 3 335.452 0.505 20 0 ECADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001053503709 766249161 /nfs/dbraw/zinc/24/91/61/766249161.db2.gz OVJMRHOEEATQDV-KGLIPLIRSA-N 1 3 335.452 0.505 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001045817851 766402306 /nfs/dbraw/zinc/40/23/06/766402306.db2.gz ZIFSDWLKLXWUKX-ASLPWWTFSA-N 1 3 349.475 0.297 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001045817851 766402310 /nfs/dbraw/zinc/40/23/10/766402310.db2.gz ZIFSDWLKLXWUKX-ASLPWWTFSA-N 1 3 349.475 0.297 20 0 ECADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2CN(CCCO)C2)CC1 ZINC001031679416 766444028 /nfs/dbraw/zinc/44/40/28/766444028.db2.gz UYTSOLBUDBVRCC-SJORKVTESA-N 1 3 339.480 0.164 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001016531739 766448935 /nfs/dbraw/zinc/44/89/35/766448935.db2.gz SCECIBQRNKGVTK-JCYILVPMSA-N 1 3 348.491 0.530 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)NC1CCCC1 ZINC001127257291 766768034 /nfs/dbraw/zinc/76/80/34/766768034.db2.gz XNKGPSQVBAYZTF-ZBFHGGJFSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)NC1CCCC1 ZINC001127257291 766768038 /nfs/dbraw/zinc/76/80/38/766768038.db2.gz XNKGPSQVBAYZTF-ZBFHGGJFSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(N[C@H]1CC12CC[NH+](CCCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001016740778 766827458 /nfs/dbraw/zinc/82/74/58/766827458.db2.gz NTRWWMYSVLYVJP-IOSXPMGOSA-N 1 3 349.475 0.203 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046065907 766850137 /nfs/dbraw/zinc/85/01/37/766850137.db2.gz GAKWQHRXTFIMOU-WBVHZDCISA-N 1 3 347.463 0.207 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046065907 766850144 /nfs/dbraw/zinc/85/01/44/766850144.db2.gz GAKWQHRXTFIMOU-WBVHZDCISA-N 1 3 347.463 0.207 20 0 ECADHO CO[C@@H](C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046065910 766852078 /nfs/dbraw/zinc/85/20/78/766852078.db2.gz GGRDPHKEERAQAV-HOCLYGCPSA-N 1 3 335.452 0.206 20 0 ECADHO CO[C@@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046065910 766852086 /nfs/dbraw/zinc/85/20/86/766852086.db2.gz GGRDPHKEERAQAV-HOCLYGCPSA-N 1 3 335.452 0.206 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046084714 766925908 /nfs/dbraw/zinc/92/59/08/766925908.db2.gz HEXONHXCBMFSKB-SJORKVTESA-N 1 3 338.496 0.072 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046084714 766925910 /nfs/dbraw/zinc/92/59/10/766925910.db2.gz HEXONHXCBMFSKB-SJORKVTESA-N 1 3 338.496 0.072 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000994852305 767019072 /nfs/dbraw/zinc/01/90/72/767019072.db2.gz CKESNYXMZQUFHB-JKSUJKDBSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000994852305 767019083 /nfs/dbraw/zinc/01/90/83/767019083.db2.gz CKESNYXMZQUFHB-JKSUJKDBSA-N 1 3 334.464 0.426 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000938827709 767126435 /nfs/dbraw/zinc/12/64/35/767126435.db2.gz YCHCBLQXFQUCSV-HOCLYGCPSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN(CCn2cccn2)C1 ZINC001046317353 767144760 /nfs/dbraw/zinc/14/47/60/767144760.db2.gz GXCOXFHOZRCMDR-FUHWJXTLSA-N 1 3 331.464 0.806 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)CC)[C@H](C)C1 ZINC001106910729 767150934 /nfs/dbraw/zinc/15/09/34/767150934.db2.gz MCIKKMORUQOLNT-OWCLPIDISA-N 1 3 340.512 0.927 20 0 ECADHO CC1CCN(CC(=O)N2CC(NC(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC000994914729 767240018 /nfs/dbraw/zinc/24/00/18/767240018.db2.gz AFXHXJFPRQRIMS-UHFFFAOYSA-N 1 3 336.480 0.387 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089818740 767299080 /nfs/dbraw/zinc/29/90/80/767299080.db2.gz CJYIRPDCGKIRBE-JONQDZQNSA-N 1 3 348.491 0.386 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089818740 767299082 /nfs/dbraw/zinc/29/90/82/767299082.db2.gz CJYIRPDCGKIRBE-JONQDZQNSA-N 1 3 348.491 0.386 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016935849 767350314 /nfs/dbraw/zinc/35/03/14/767350314.db2.gz PCWHEKHKHHTQCR-ZIAGYGMSSA-N 1 3 334.464 0.187 20 0 ECADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060463603 767468669 /nfs/dbraw/zinc/46/86/69/767468669.db2.gz YXLVHNJOCDWQDP-AWEZNQCLSA-N 1 3 335.452 0.649 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060463603 767468674 /nfs/dbraw/zinc/46/86/74/767468674.db2.gz YXLVHNJOCDWQDP-AWEZNQCLSA-N 1 3 335.452 0.649 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)CCC1 ZINC001017142272 767642967 /nfs/dbraw/zinc/64/29/67/767642967.db2.gz MIIBJIYJOUCHHR-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)CCC1 ZINC001017142272 767642973 /nfs/dbraw/zinc/64/29/73/767642973.db2.gz MIIBJIYJOUCHHR-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO Cn1cnnc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000992909453 767780225 /nfs/dbraw/zinc/78/02/25/767780225.db2.gz QTTFOQOIFICAKX-ARFHVFGLSA-N 1 3 346.479 0.628 20 0 ECADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1NCc1cnnn1C ZINC001054969752 768485786 /nfs/dbraw/zinc/48/57/86/768485786.db2.gz UIAZNRZOVFNKGW-HIFRSBDPSA-N 1 3 334.468 0.626 20 0 ECADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665398 768578829 /nfs/dbraw/zinc/57/88/29/768578829.db2.gz VBLLLVLMQCNGMW-BRWVUGGUSA-N 1 3 341.496 0.818 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001106666699 768579362 /nfs/dbraw/zinc/57/93/62/768579362.db2.gz RBENLSIWLIOXNT-ARFHVFGLSA-N 1 3 336.480 0.245 20 0 ECADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705142 768694095 /nfs/dbraw/zinc/69/40/95/768694095.db2.gz TZGINAWOXMUMAP-MGPQQGTHSA-N 1 3 335.452 0.551 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000993811308 769662512 /nfs/dbraw/zinc/66/25/12/769662512.db2.gz ZVHHZKAJRFDEEY-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000993811308 769662521 /nfs/dbraw/zinc/66/25/21/769662521.db2.gz ZVHHZKAJRFDEEY-JKSUJKDBSA-N 1 3 336.480 0.528 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000993879173 769777408 /nfs/dbraw/zinc/77/74/08/769777408.db2.gz LLTYUMNXUWFBEW-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000993879173 769777418 /nfs/dbraw/zinc/77/74/18/769777418.db2.gz LLTYUMNXUWFBEW-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001018870221 770147038 /nfs/dbraw/zinc/14/70/38/770147038.db2.gz JDJKJWFTUCVYIF-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001018870221 770147045 /nfs/dbraw/zinc/14/70/45/770147045.db2.gz JDJKJWFTUCVYIF-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC001018966746 770423341 /nfs/dbraw/zinc/42/33/41/770423341.db2.gz RHXBFJWMRXZEKO-JKSUJKDBSA-N 1 3 334.468 0.426 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001019241700 771049203 /nfs/dbraw/zinc/04/92/03/771049203.db2.gz VRVSQMZUXZLFDU-SOUVJXGZSA-N 1 3 343.493 0.096 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](NCC(=O)N2CCCCC2)C1)[NH+](C)C ZINC001019340950 771183661 /nfs/dbraw/zinc/18/36/61/771183661.db2.gz PTLVOKAIULCBJH-DOTOQJQBSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC[NH+](C)C)N(C)C ZINC001056565814 771386937 /nfs/dbraw/zinc/38/69/37/771386937.db2.gz WOQWFGSQHJRVKG-JYJNAYRXSA-N 1 3 338.496 0.870 20 0 ECADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019630722 771632303 /nfs/dbraw/zinc/63/23/03/771632303.db2.gz ITEUSARHJSUMMT-JKSUJKDBSA-N 1 3 334.464 0.187 20 0 ECADHO Cc1nc(CN[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)n[nH]1 ZINC001019630614 771632648 /nfs/dbraw/zinc/63/26/48/771632648.db2.gz CVFMYMDFJGWNRF-INIZCTEOSA-N 1 3 346.479 0.926 20 0 ECADHO O=C(N1CC[C@H](N[C@@H]2CCN(C3CCC3)C2=O)C1)C12CC[NH+](CC1)C2 ZINC001019661034 771684756 /nfs/dbraw/zinc/68/47/56/771684756.db2.gz RVUQAYLLPDBVDY-GOEBONIOSA-N 1 3 346.475 0.426 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001019772597 771780504 /nfs/dbraw/zinc/78/05/04/771780504.db2.gz LKLRSZIXLQLGPG-HOTGVXAUSA-N 1 3 330.432 0.428 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001019772597 771780508 /nfs/dbraw/zinc/78/05/08/771780508.db2.gz LKLRSZIXLQLGPG-HOTGVXAUSA-N 1 3 330.432 0.428 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001020150225 772220018 /nfs/dbraw/zinc/22/00/18/772220018.db2.gz OJCVRSBABPSPJR-ZQDZILKHSA-N 1 3 332.452 0.426 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001020150225 772220019 /nfs/dbraw/zinc/22/00/19/772220019.db2.gz OJCVRSBABPSPJR-ZQDZILKHSA-N 1 3 332.452 0.426 20 0 ECADHO Cn1nccc1CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001020179418 772252030 /nfs/dbraw/zinc/25/20/30/772252030.db2.gz ZYQUSOLMAYGVTQ-NXNVCVFFSA-N 1 3 347.463 0.063 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044757026 774583496 /nfs/dbraw/zinc/58/34/96/774583496.db2.gz SQIIAHWDLWSEOB-OLZOCXBDSA-N 1 3 347.419 0.070 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]C[C@@H]2CCc3ncnn32)CCC1 ZINC001045067189 774925528 /nfs/dbraw/zinc/92/55/28/774925528.db2.gz MBDWXLPPUUTBLJ-GJZGRUSLSA-N 1 3 346.479 0.830 20 0 ECADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCc2cnnn2C)C1 ZINC001045067328 774926086 /nfs/dbraw/zinc/92/60/86/774926086.db2.gz OSKREFVAQPVMRU-CVEARBPZSA-N 1 3 348.495 0.874 20 0 ECADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCc2cnnn2C)C1 ZINC001045067328 774926091 /nfs/dbraw/zinc/92/60/91/774926091.db2.gz OSKREFVAQPVMRU-CVEARBPZSA-N 1 3 348.495 0.874 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001079807466 776912757 /nfs/dbraw/zinc/91/27/57/776912757.db2.gz YPIXNOIAIWPXSJ-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001079816371 776930027 /nfs/dbraw/zinc/93/00/27/776930027.db2.gz CAVUTNMWBOFYLG-GOEBONIOSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001079816371 776930031 /nfs/dbraw/zinc/93/00/31/776930031.db2.gz CAVUTNMWBOFYLG-GOEBONIOSA-N 1 3 338.496 0.585 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001079930307 777102770 /nfs/dbraw/zinc/10/27/70/777102770.db2.gz JSKBTNNHYOFYOG-HNNXBMFYSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001079930307 777102774 /nfs/dbraw/zinc/10/27/74/777102774.db2.gz JSKBTNNHYOFYOG-HNNXBMFYSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(C(=O)[C@H](C1CC1)N(C)C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079945006 777122785 /nfs/dbraw/zinc/12/27/85/777122785.db2.gz BRNZGQCLCLOPMX-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)[C@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001079950887 777135927 /nfs/dbraw/zinc/13/59/27/777135927.db2.gz NSHYHZNLSROJQG-HOTGVXAUSA-N 1 3 340.512 0.972 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001080558172 778028576 /nfs/dbraw/zinc/02/85/76/778028576.db2.gz OEXTUCQNGFPVOV-ZBFHGGJFSA-N 1 3 338.496 0.585 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001080558172 778028587 /nfs/dbraw/zinc/02/85/87/778028587.db2.gz OEXTUCQNGFPVOV-ZBFHGGJFSA-N 1 3 338.496 0.585 20 0 ECADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508847 780053760 /nfs/dbraw/zinc/05/37/60/780053760.db2.gz ZHBBNYPTYIYMRS-WBVHZDCISA-N 1 3 349.479 0.387 20 0 ECADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078508847 780053767 /nfs/dbraw/zinc/05/37/67/780053767.db2.gz ZHBBNYPTYIYMRS-WBVHZDCISA-N 1 3 349.479 0.387 20 0 ECADHO CC[C@H](C(=O)NC1(CNC(=O)CC[NH+](C)C)CCOCC1)N(C)C ZINC001070157594 790778526 /nfs/dbraw/zinc/77/85/26/790778526.db2.gz CZQNTKVEHSCXCJ-CQSZACIVSA-N 1 3 342.484 0.060 20 0 ECADHO CCC[N@H+](C)CCC(=O)N1CC(N(CC)C(=O)[C@H]2CCCN2C)C1 ZINC001079494066 781182474 /nfs/dbraw/zinc/18/24/74/781182474.db2.gz QILBAAMKWBIYOG-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N1CC(N(CC)C(=O)[C@H]2CCCN2C)C1 ZINC001079494066 781182480 /nfs/dbraw/zinc/18/24/80/781182480.db2.gz QILBAAMKWBIYOG-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO C[NH+](C)[C@H](C(=O)N1CCC2(C1)CCN([C@H]1CCNC1=O)CC2)C1CC1 ZINC001040726505 783334963 /nfs/dbraw/zinc/33/49/63/783334963.db2.gz JWQKNUFDMCAMPO-HOTGVXAUSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC3(C2)CCN([C@@H]2CCNC2=O)CC3)C1 ZINC001040848470 783555079 /nfs/dbraw/zinc/55/50/79/783555079.db2.gz JMUVQZYKCKXQLJ-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(C2)CCN([C@@H]2CCNC2=O)CC3)C1 ZINC001040848470 783555084 /nfs/dbraw/zinc/55/50/84/783555084.db2.gz JMUVQZYKCKXQLJ-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070208847 783659979 /nfs/dbraw/zinc/65/99/79/783659979.db2.gz ABTRDPNYUKVZBU-IKGGRYGDSA-N 1 3 346.479 0.760 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CCC3CC3)[C@@H](n3ccnn3)C2)CCC1 ZINC001070209224 783661171 /nfs/dbraw/zinc/66/11/71/783661171.db2.gz SDVQGGHHBBHRNZ-CVEARBPZSA-N 1 3 346.479 0.904 20 0 ECADHO CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1NCc1nncn1C ZINC001037924845 783705459 /nfs/dbraw/zinc/70/54/59/783705459.db2.gz MAIRVUQZPRTZQG-GOEBONIOSA-N 1 3 348.495 0.874 20 0 ECADHO CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1NCc1ncnn1C ZINC001037957304 783735182 /nfs/dbraw/zinc/73/51/82/783735182.db2.gz GPNALJUGMWRUBO-CABCVRRESA-N 1 3 346.479 0.628 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001070932720 784147090 /nfs/dbraw/zinc/14/70/90/784147090.db2.gz CXVSCANMJCPGDQ-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001071015935 784423636 /nfs/dbraw/zinc/42/36/36/784423636.db2.gz BBMQSBRHTUDQOW-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070754314 784654000 /nfs/dbraw/zinc/65/40/00/784654000.db2.gz FKCWGNOYVRGGPE-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070754314 784654009 /nfs/dbraw/zinc/65/40/09/784654009.db2.gz FKCWGNOYVRGGPE-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001070756359 784656357 /nfs/dbraw/zinc/65/63/57/784656357.db2.gz LQCCLJQMDYZCFE-NVXWUHKLSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1)N(C)C ZINC001070873644 784778088 /nfs/dbraw/zinc/77/80/88/784778088.db2.gz SFQWMAGKSHDTJA-OWCLPIDISA-N 1 3 338.496 0.774 20 0 ECADHO COCCN1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071228560 784788240 /nfs/dbraw/zinc/78/82/40/784788240.db2.gz WOKRFPNSLDGRGQ-QAPCUYQASA-N 1 3 337.464 0.420 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001071343599 784983180 /nfs/dbraw/zinc/98/31/80/784983180.db2.gz ACNCZZMJAZKHOS-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001071343599 784983186 /nfs/dbraw/zinc/98/31/86/784983186.db2.gz ACNCZZMJAZKHOS-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@H](NC(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001072287086 785982382 /nfs/dbraw/zinc/98/23/82/785982382.db2.gz RPQQDTQGSQJBND-GJZGRUSLSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072432330 786175497 /nfs/dbraw/zinc/17/54/97/786175497.db2.gz IAZJQEOXNKLXSX-LSDHHAIUSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001072432529 786176007 /nfs/dbraw/zinc/17/60/07/786176007.db2.gz JTPQHEFBALZSNQ-HOCLYGCPSA-N 1 3 348.491 0.530 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001072469935 786229084 /nfs/dbraw/zinc/22/90/84/786229084.db2.gz GPUFHHWAEIBIHQ-CZUORRHYSA-N 1 3 349.479 0.956 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001072480342 786250403 /nfs/dbraw/zinc/25/04/03/786250403.db2.gz CSFOETOVPYMOKR-LSDHHAIUSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1NC(=O)CC[NH+](C)C ZINC001074197571 786426701 /nfs/dbraw/zinc/42/67/01/786426701.db2.gz FNPKTXNRXVNQDO-HOCLYGCPSA-N 1 3 338.496 0.776 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)[C@@H]1C)N(C)C ZINC001074709814 787655215 /nfs/dbraw/zinc/65/52/15/787655215.db2.gz RICBDFJKWLSZKW-MELADBBJSA-N 1 3 338.452 0.055 20 0 ECADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001072667573 788549022 /nfs/dbraw/zinc/54/90/22/788549022.db2.gz BDBAXCGLEZJKFG-GDBMZVCRSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001074918472 788550790 /nfs/dbraw/zinc/55/07/90/788550790.db2.gz YDOIEPGAWSCXSK-GUTXKFCHSA-N 1 3 333.436 0.448 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)CN1CCC(C)CC1 ZINC001074993713 788685640 /nfs/dbraw/zinc/68/56/40/788685640.db2.gz VJKBFNIQOHQNAV-HRCADAONSA-N 1 3 336.480 0.576 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2)C1CCC1 ZINC001072816162 788876882 /nfs/dbraw/zinc/87/68/82/788876882.db2.gz QGECVBVMRLCMIG-UHFFFAOYSA-N 1 3 332.452 0.297 20 0 ECADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2)C1CCC1 ZINC001072816162 788876896 /nfs/dbraw/zinc/87/68/96/788876896.db2.gz QGECVBVMRLCMIG-UHFFFAOYSA-N 1 3 332.452 0.297 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001075189047 789034713 /nfs/dbraw/zinc/03/47/13/789034713.db2.gz MXTXWDNFOAYJHE-ZIAGYGMSSA-N 1 3 335.452 0.790 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001075189047 789034724 /nfs/dbraw/zinc/03/47/24/789034724.db2.gz MXTXWDNFOAYJHE-ZIAGYGMSSA-N 1 3 335.452 0.790 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]Cc1cncn1C ZINC001075336128 789230873 /nfs/dbraw/zinc/23/08/73/789230873.db2.gz YCKIXIXPRZWCIJ-ZIAGYGMSSA-N 1 3 330.436 0.960 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCN1CCCC1=O)C2)N(C)C ZINC001072989776 789234699 /nfs/dbraw/zinc/23/46/99/789234699.db2.gz NPJUOOAKRVBFCA-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCN1CCCC1=O)C2)N(C)C ZINC001072989776 789234704 /nfs/dbraw/zinc/23/47/04/789234704.db2.gz NPJUOOAKRVBFCA-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)[nH]1 ZINC001075356246 789264160 /nfs/dbraw/zinc/26/41/60/789264160.db2.gz WPSCRKMCUOWFGS-ZFWWWQNUSA-N 1 3 346.479 0.783 20 0 ECADHO 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/nfs/dbraw/zinc/13/80/78/837138078.db2.gz QXLMTRMPNLXXHT-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001408595212 837138079 /nfs/dbraw/zinc/13/80/79/837138079.db2.gz QXLMTRMPNLXXHT-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CCNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001408669827 837918742 /nfs/dbraw/zinc/91/87/42/837918742.db2.gz TZGZVFUXCVDXRZ-CQSZACIVSA-N 1 3 326.485 0.489 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNC(=O)Cc2nc[nH]c2C)CC[N@@H+]1C ZINC001408775927 838397853 /nfs/dbraw/zinc/39/78/53/838397853.db2.gz VOQSQZABMRZXNG-GOEBONIOSA-N 1 3 349.479 0.956 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNC(=O)Cc2nc[nH]c2C)CC[N@H+]1C ZINC001408775927 838397859 /nfs/dbraw/zinc/39/78/59/838397859.db2.gz VOQSQZABMRZXNG-GOEBONIOSA-N 1 3 349.479 0.956 20 0 ECADHO CCOCCN1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001267774654 838537485 /nfs/dbraw/zinc/53/74/85/838537485.db2.gz IZWLZEFAQUSCJJ-OAHLLOKOSA-N 1 3 327.469 0.666 20 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/nfs/dbraw/zinc/09/62/59/299096259.db2.gz MFLSHOZHXYEFQI-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCSC1 ZINC000419592365 282274273 /nfs/dbraw/zinc/27/42/73/282274273.db2.gz WUSFXHCVQBRUHW-BBRMVZONSA-N 1 3 342.509 0.127 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(=O)NCC1CC1 ZINC000427464625 210199827 /nfs/dbraw/zinc/19/98/27/210199827.db2.gz DXBJVGLYFPNRIL-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(=O)NCC1CC1 ZINC000427464625 210199829 /nfs/dbraw/zinc/19/98/29/210199829.db2.gz DXBJVGLYFPNRIL-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354814014 299135013 /nfs/dbraw/zinc/13/50/13/299135013.db2.gz YMAVIPBVECWNLO-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)N1CCN(C)CC1 ZINC000355485207 299258580 /nfs/dbraw/zinc/25/85/80/299258580.db2.gz YKQAMKXKVBAOMT-IAGOWNOFSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)N1CCN(C)CC1 ZINC000355485207 299258583 /nfs/dbraw/zinc/25/85/83/299258583.db2.gz YKQAMKXKVBAOMT-IAGOWNOFSA-N 1 3 339.528 0.994 20 0 ECADHO CCC[NH2+]CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417430061 283388338 /nfs/dbraw/zinc/38/83/38/283388338.db2.gz OJXCHSBKBZJYNE-AWEZNQCLSA-N 1 3 327.473 0.228 20 0 ECADHO C[C@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000420402145 209361451 /nfs/dbraw/zinc/36/14/51/209361451.db2.gz JRUNWOWFEMYRFY-HOTGVXAUSA-N 1 3 346.479 0.432 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000420117873 209311758 /nfs/dbraw/zinc/31/17/58/209311758.db2.gz HYHRDFQEUGBKEV-AWEZNQCLSA-N 1 3 326.485 0.953 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420108567 209307594 /nfs/dbraw/zinc/30/75/94/209307594.db2.gz XKMPHEBULSOPOI-UHFFFAOYSA-N 1 3 346.475 0.952 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000420032715 209282730 /nfs/dbraw/zinc/28/27/30/209282730.db2.gz UQLGNBQQMMSLOT-NSHDSACASA-N 1 3 342.390 0.318 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419977437 209267375 /nfs/dbraw/zinc/26/73/75/209267375.db2.gz MPPFJGKEXUTYDI-AWEZNQCLSA-N 1 3 338.452 0.659 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000419946681 209256553 /nfs/dbraw/zinc/25/65/53/209256553.db2.gz VBUNVHUHGBHJLV-ZDUSSCGKSA-N 1 3 338.427 0.427 20 0 ECADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419894933 209241559 /nfs/dbraw/zinc/24/15/59/209241559.db2.gz RTMHQWYJWZSMFK-AWEZNQCLSA-N 1 3 338.477 0.507 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000419870211 209232042 /nfs/dbraw/zinc/23/20/42/209232042.db2.gz JGVDJYUBGRGKGE-UHFFFAOYSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@H]1C[NH3+] ZINC000419776405 209203064 /nfs/dbraw/zinc/20/30/64/209203064.db2.gz LYKQXXNRGNWMOV-QLFBSQMISA-N 1 3 338.496 0.809 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419726593 209189135 /nfs/dbraw/zinc/18/91/35/209189135.db2.gz UZHWYTLIBZHKIZ-OAHLLOKOSA-N 1 3 346.475 0.739 20 0 ECADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000262554612 245028953 /nfs/dbraw/zinc/02/89/53/245028953.db2.gz UOHIGWZTMLISEE-JKSUJKDBSA-N 1 3 348.447 0.420 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419699375 209177734 /nfs/dbraw/zinc/17/77/34/209177734.db2.gz QYAMBISHJLCRCK-MRXNPFEDSA-N 1 3 338.496 0.810 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419694277 209174650 /nfs/dbraw/zinc/17/46/50/209174650.db2.gz KFDXZYIGIQVQSE-LSDHHAIUSA-N 1 3 336.480 0.707 20 0 ECADHO CCCN(C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000419691132 209172915 /nfs/dbraw/zinc/17/29/15/209172915.db2.gz DJBJOXHKWFRFJV-HOCLYGCPSA-N 1 3 336.480 0.720 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419691291 209172630 /nfs/dbraw/zinc/17/26/30/209172630.db2.gz FMVSWGQQCKTLCH-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1CN ZINC000419662469 209162778 /nfs/dbraw/zinc/16/27/78/209162778.db2.gz HTMNVCJYPIQGAI-HUUCEWRRSA-N 1 3 338.496 0.810 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419653104 209158615 /nfs/dbraw/zinc/15/86/15/209158615.db2.gz FEYSTUOTRZCWCK-WBVHZDCISA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)N(C)C1CC1 ZINC000419589860 209134275 /nfs/dbraw/zinc/13/42/75/209134275.db2.gz PRXWEBJVUVWECS-AWEZNQCLSA-N 1 3 332.448 0.573 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419581674 209132339 /nfs/dbraw/zinc/13/23/39/209132339.db2.gz JQIRFSGZJGMBFG-XEZPLFJOSA-N 1 3 342.509 0.268 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000446258457 211135538 /nfs/dbraw/zinc/13/55/38/211135538.db2.gz LRQRLLNTERLYQD-IIDMSEBBSA-N 1 3 339.480 0.482 20 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ZINC000444358610 211072104 /nfs/dbraw/zinc/07/21/04/211072104.db2.gz BVMZLBOEERGVPA-MRXNPFEDSA-N 1 3 340.512 0.318 20 0 ECADHO CCN1CCN(CCC(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)CC1 ZINC000444358610 211072107 /nfs/dbraw/zinc/07/21/07/211072107.db2.gz BVMZLBOEERGVPA-MRXNPFEDSA-N 1 3 340.512 0.318 20 0 ECADHO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CC[C@H](N2CCCCC2)C1 ZINC000433392980 296306851 /nfs/dbraw/zinc/30/68/51/296306851.db2.gz ZXIDJVLVBGHQCY-GJZGRUSLSA-N 1 3 332.452 0.903 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410882350 208012775 /nfs/dbraw/zinc/01/27/75/208012775.db2.gz FGIAUURDINPLFL-HZPDHXFCSA-N 1 3 338.496 0.728 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410882350 208012780 /nfs/dbraw/zinc/01/27/80/208012780.db2.gz FGIAUURDINPLFL-HZPDHXFCSA-N 1 3 338.496 0.728 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000420445395 209367065 /nfs/dbraw/zinc/36/70/65/209367065.db2.gz NBFHNEFRYQXNIE-UHFFFAOYSA-N 1 3 343.497 0.563 20 0 ECADHO C[C@H]([NH3+])CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000430743644 210399990 /nfs/dbraw/zinc/39/99/90/210399990.db2.gz SCRLQEQWFNQOSJ-AWEZNQCLSA-N 1 3 332.448 0.866 20 0 ECADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430606775 210388491 /nfs/dbraw/zinc/38/84/91/210388491.db2.gz WJOXFFIUXPIMJT-XUWVNRHRSA-N 1 3 338.496 0.666 20 0 ECADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430652035 210394408 /nfs/dbraw/zinc/39/44/08/210394408.db2.gz WTYVEMCGLUCSIS-ARFHVFGLSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430575370 210382368 /nfs/dbraw/zinc/38/23/68/210382368.db2.gz KLQMGBHRAACEHL-HNNXBMFYSA-N 1 3 342.465 0.626 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N(C)C2C[NH2+]C2)cc1F ZINC000415746095 208574071 /nfs/dbraw/zinc/57/40/71/208574071.db2.gz RSWYBCCWGCSSAF-UHFFFAOYSA-N 1 3 338.383 0.135 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000416969557 208702171 /nfs/dbraw/zinc/70/21/71/208702171.db2.gz KVZFZXYJRIEYCV-MRXNPFEDSA-N 1 3 349.479 0.330 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC[NH2+]C1CC1 ZINC000417430607 208731496 /nfs/dbraw/zinc/73/14/96/208731496.db2.gz POLFVBIDKVDVQD-OAHLLOKOSA-N 1 3 339.484 0.370 20 0 ECADHO COCC[NH2+]CCNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000418507549 208815953 /nfs/dbraw/zinc/81/59/53/208815953.db2.gz LAAFQYWOLDPWNS-UHFFFAOYSA-N 1 3 337.424 0.158 20 0 ECADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418729951 208840577 /nfs/dbraw/zinc/84/05/77/208840577.db2.gz RQBLDEBTBHHYQX-XJNFMUPTSA-N 1 3 334.464 0.904 20 0 ECADHO CCN1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000416841159 285188773 /nfs/dbraw/zinc/18/87/73/285188773.db2.gz GUAZTYCNGFMIBB-HNNXBMFYSA-N 1 3 339.484 0.500 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N1CCCNCC1)[NH+]1CCCCCC1 ZINC000419124421 208987753 /nfs/dbraw/zinc/98/77/53/208987753.db2.gz IDJLTLPDGOLLNX-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCCNCC2)CC1 ZINC000419151166 209001778 /nfs/dbraw/zinc/00/17/78/209001778.db2.gz MCKJTYVGSXAZST-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000487749701 285247032 /nfs/dbraw/zinc/24/70/32/285247032.db2.gz MDNSSXKATCBUMB-IAGOWNOFSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000487749701 285247036 /nfs/dbraw/zinc/24/70/36/285247036.db2.gz MDNSSXKATCBUMB-IAGOWNOFSA-N 1 3 338.496 0.729 20 0 ECADHO CCOC(=O)N1CCC(NC(=[NH2+])NCCNc2ccncc2)CC1 ZINC000496153838 255075554 /nfs/dbraw/zinc/07/55/54/255075554.db2.gz HUAFPLFMBZCJQU-UHFFFAOYSA-N 1 3 334.424 0.650 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000419166214 209009330 /nfs/dbraw/zinc/00/93/30/209009330.db2.gz HHHLCMIUCPQPEU-OWCLPIDISA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000419166214 209009332 /nfs/dbraw/zinc/00/93/32/209009332.db2.gz HHHLCMIUCPQPEU-OWCLPIDISA-N 1 3 338.496 0.809 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419170100 209010400 /nfs/dbraw/zinc/01/04/00/209010400.db2.gz NBLZSDSZIUPULK-HZPDHXFCSA-N 1 3 338.496 0.825 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000419171583 209010872 /nfs/dbraw/zinc/01/08/72/209010872.db2.gz PHTGUTZXWDDRHU-LSDHHAIUSA-N 1 3 326.485 0.857 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000419171583 209010875 /nfs/dbraw/zinc/01/08/75/209010875.db2.gz PHTGUTZXWDDRHU-LSDHHAIUSA-N 1 3 326.485 0.857 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419175453 209013178 /nfs/dbraw/zinc/01/31/78/209013178.db2.gz XPQBNPHGBPBUCI-LSDHHAIUSA-N 1 3 326.485 0.729 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000419203059 209021972 /nfs/dbraw/zinc/02/19/72/209021972.db2.gz HKDXTFWDOTUZSI-HNNXBMFYSA-N 1 3 348.447 0.111 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000419278842 209048612 /nfs/dbraw/zinc/04/86/12/209048612.db2.gz BNGQIPPAGPRYCH-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419282755 209049616 /nfs/dbraw/zinc/04/96/16/209049616.db2.gz IRYIQXRJOUFTID-QWHCGFSZSA-N 1 3 328.457 0.064 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419282755 209049618 /nfs/dbraw/zinc/04/96/18/209049618.db2.gz IRYIQXRJOUFTID-QWHCGFSZSA-N 1 3 328.457 0.064 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419311214 209056304 /nfs/dbraw/zinc/05/63/04/209056304.db2.gz BKIQQFWHSFHEKI-DAXOMENPSA-N 1 3 336.480 0.609 20 0 ECADHO CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1 ZINC000154528057 224266494 /nfs/dbraw/zinc/26/64/94/224266494.db2.gz JPBIKNNKCRFXCF-IRXDYDNUSA-N 1 3 346.475 0.816 20 0 ECADHO CCN(C)CCNC(=O)c1cccc(C(=O)NCC[N@H+](C)CC)n1 ZINC000117982834 221104646 /nfs/dbraw/zinc/10/46/46/221104646.db2.gz JZRRUFNLQKVLPC-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO CCN(C)CCNC(=O)c1cccc(C(=O)NCC[N@@H+](C)CC)n1 ZINC000117982834 221104649 /nfs/dbraw/zinc/10/46/49/221104649.db2.gz JZRRUFNLQKVLPC-UHFFFAOYSA-N 1 3 335.452 0.445 20 0 ECADHO COC(=O)[C@](C)(C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415093648 291963686 /nfs/dbraw/zinc/96/36/86/291963686.db2.gz CMJRUPQFQNIFAN-DNVCBOLYSA-N 1 3 347.459 0.904 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N1CCC(C)CC1 ZINC000419370277 209071478 /nfs/dbraw/zinc/07/14/78/209071478.db2.gz JNXJZNBKUHRMAP-HOTGVXAUSA-N 1 3 338.496 0.713 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])Cc1ccccc1 ZINC000419371433 209071631 /nfs/dbraw/zinc/07/16/31/209071631.db2.gz KSLSJUWFJOFDCT-MRXNPFEDSA-N 1 3 348.491 0.909 20 0 ECADHO COc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130535199 296664893 /nfs/dbraw/zinc/66/48/93/296664893.db2.gz JFTAZFPBWMKANX-UHFFFAOYSA-N 1 3 336.436 0.586 20 0 ECADHO Cc1cccc2c1N(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000130524178 296664975 /nfs/dbraw/zinc/66/49/75/296664975.db2.gz RMARUMSWKQDDAM-UHFFFAOYSA-N 1 3 346.475 0.836 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000153347598 296691763 /nfs/dbraw/zinc/69/17/63/296691763.db2.gz ZHLAWWUSOWWOJJ-MRXNPFEDSA-N 1 3 348.495 0.795 20 0 ECADHO COCCC[N@H+](C)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441018649 292336693 /nfs/dbraw/zinc/33/66/93/292336693.db2.gz GWPOJDFGDMJLAX-UHFFFAOYSA-N 1 3 343.516 0.280 20 0 ECADHO COCCC[N@@H+](C)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441018649 292336695 /nfs/dbraw/zinc/33/66/95/292336695.db2.gz GWPOJDFGDMJLAX-UHFFFAOYSA-N 1 3 343.516 0.280 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000262609466 165367934 /nfs/dbraw/zinc/36/79/34/165367934.db2.gz CIJDXGDRJIVXQQ-WCXIOVBPSA-N 1 3 348.491 0.672 20 0 ECADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C)N2CCN(CC)CC2)C1(C)C ZINC000262769337 165385750 /nfs/dbraw/zinc/38/57/50/165385750.db2.gz HDVJXHFUXYTEFE-IIDMSEBBSA-N 1 3 340.512 0.661 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000419407955 209084212 /nfs/dbraw/zinc/08/42/12/209084212.db2.gz LAYJDRMFQSFCNF-HNNXBMFYSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1CN ZINC000419722212 287324928 /nfs/dbraw/zinc/32/49/28/287324928.db2.gz LRPSNULTZQISCU-TZMCWYRMSA-N 1 3 338.496 0.998 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1CN ZINC000419528553 287325155 /nfs/dbraw/zinc/32/51/55/287325155.db2.gz WJVPFCJLOGDKOK-LMPOIIKSSA-N 1 3 338.496 0.809 20 0 ECADHO CC[C@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)N(C)C ZINC000412466725 287489181 /nfs/dbraw/zinc/48/91/81/287489181.db2.gz SRZCELIFHNNJBS-OAHLLOKOSA-N 1 3 326.485 0.239 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000229551624 263171519 /nfs/dbraw/zinc/17/15/19/263171519.db2.gz BXEKFDUVKNFJLD-IRXDYDNUSA-N 1 3 337.512 0.940 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000229551624 263171520 /nfs/dbraw/zinc/17/15/20/263171520.db2.gz BXEKFDUVKNFJLD-IRXDYDNUSA-N 1 3 337.512 0.940 20 0 ECADHO CN(C)C1(CNC(=O)NC[C@](C)(O)C[NH+](C)C)Cc2ccccc2C1 ZINC000269941388 263214494 /nfs/dbraw/zinc/21/44/94/263214494.db2.gz WDNPCDJWSGUSGW-SFHVURJKSA-N 1 3 348.491 0.697 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000284287787 264195437 /nfs/dbraw/zinc/19/54/37/264195437.db2.gz XRKLXJWIDHNAOT-QGZVFWFLSA-N 1 3 346.475 0.917 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000284862197 264248219 /nfs/dbraw/zinc/24/82/19/264248219.db2.gz OCFQPLJHLDPUNR-OAHLLOKOSA-N 1 3 346.475 0.834 20 0 ECADHO CN(Cc1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1)[C@@H]1COC[C@H]1O ZINC000285710950 264335070 /nfs/dbraw/zinc/33/50/70/264335070.db2.gz WJDZKJZFLZEBAN-BRSBDYLESA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1)[C@@H]1COC[C@H]1O ZINC000285710950 264335072 /nfs/dbraw/zinc/33/50/72/264335072.db2.gz WJDZKJZFLZEBAN-BRSBDYLESA-N 1 3 336.432 0.070 20 0 ECADHO C[NH2+]CCNC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418317091 277271589 /nfs/dbraw/zinc/27/15/89/277271589.db2.gz ABNYPNINGVDESW-SFHVURJKSA-N 1 3 345.491 0.808 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419693717 277387752 /nfs/dbraw/zinc/38/77/52/277387752.db2.gz ILRARWYHDSJOKP-CVEARBPZSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000423694973 278181945 /nfs/dbraw/zinc/18/19/45/278181945.db2.gz BLWYRFBANXXXTH-HZPDHXFCSA-N 1 3 338.496 0.763 20 0 ECADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419097582 279135699 /nfs/dbraw/zinc/13/56/99/279135699.db2.gz DZVQAJHKLXBJPR-LSDHHAIUSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N(C)C ZINC000236710808 279765751 /nfs/dbraw/zinc/76/57/51/279765751.db2.gz BDJPIQDTRVPEPO-PMPSAXMXSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343638357 437609342 /nfs/dbraw/zinc/60/93/42/437609342.db2.gz KOHFOCDSPMQOHD-XJKSGUPXSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343638357 437609346 /nfs/dbraw/zinc/60/93/46/437609346.db2.gz KOHFOCDSPMQOHD-XJKSGUPXSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCC[NH2+]C1 ZINC000420105318 289165395 /nfs/dbraw/zinc/16/53/95/289165395.db2.gz QGLPLIHNKKKQEA-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328849 289249936 /nfs/dbraw/zinc/24/99/36/289249936.db2.gz NCLZOCSBCYBGIH-KFWWJZLASA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000418852278 289275660 /nfs/dbraw/zinc/27/56/60/289275660.db2.gz QODVAPQSBMUUJA-IAGOWNOFSA-N 1 3 346.475 0.615 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000419172433 289632799 /nfs/dbraw/zinc/63/27/99/289632799.db2.gz QWWYBTMALFOTLA-OWCLPIDISA-N 1 3 338.496 0.951 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC1 ZINC000332667553 297063914 /nfs/dbraw/zinc/06/39/14/297063914.db2.gz YPEVPLZEMAZILQ-ZBFHGGJFSA-N 1 3 336.480 0.530 20 0 ECADHO NC[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000261943911 295241419 /nfs/dbraw/zinc/24/14/19/295241419.db2.gz JOPKEJZVFMESHR-KGLIPLIRSA-N 1 3 344.381 0.681 20 0 ECADHO O=C1c2ccccc2C(=O)N1CCCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000336894470 297170044 /nfs/dbraw/zinc/17/00/44/297170044.db2.gz WJUZLMIGGVRRNR-OAHLLOKOSA-N 1 3 342.443 0.652 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CN1C1CC1 ZINC000417861148 297273679 /nfs/dbraw/zinc/27/36/79/297273679.db2.gz XFQFXEDYNOFXJO-HZSPNIEDSA-N 1 3 337.468 0.108 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)NC1CCN(C2CC2)CC1)C(C)C ZINC000339613797 297364254 /nfs/dbraw/zinc/36/42/54/297364254.db2.gz LWWOYBITNDYWRZ-UHFFFAOYSA-N 1 3 338.496 0.964 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000339953457 297411670 /nfs/dbraw/zinc/41/16/70/297411670.db2.gz QRHVNEZVVVTVSZ-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000345142255 298120744 /nfs/dbraw/zinc/12/07/44/298120744.db2.gz AAPBSSZUIWSDML-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000345142255 298120747 /nfs/dbraw/zinc/12/07/47/298120747.db2.gz AAPBSSZUIWSDML-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000345754331 298189953 /nfs/dbraw/zinc/18/99/53/298189953.db2.gz QWWFIBCAEMAZCZ-BZUAXINKSA-N 1 3 326.485 0.861 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1=O ZINC000346216883 298239693 /nfs/dbraw/zinc/23/96/93/298239693.db2.gz HVBYWAHVANWPST-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1=O ZINC000346216883 298239696 /nfs/dbraw/zinc/23/96/96/298239696.db2.gz HVBYWAHVANWPST-HOTGVXAUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353455231 299050581 /nfs/dbraw/zinc/05/05/81/299050581.db2.gz OQQQWVIAWIRZLJ-NVXWUHKLSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353455231 299050586 /nfs/dbraw/zinc/05/05/86/299050586.db2.gz OQQQWVIAWIRZLJ-NVXWUHKLSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)CN1CCOCC1 ZINC000363714682 300288299 /nfs/dbraw/zinc/28/82/99/300288299.db2.gz QODXXFRWOWSZQE-BDXSIMOUSA-N 1 3 341.496 0.159 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)CN1CCOCC1 ZINC000363714682 300288301 /nfs/dbraw/zinc/28/83/01/300288301.db2.gz QODXXFRWOWSZQE-BDXSIMOUSA-N 1 3 341.496 0.159 20 0 ECADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000366305487 300537633 /nfs/dbraw/zinc/53/76/33/300537633.db2.gz JNPSYRHSMFHTFO-HNNXBMFYSA-N 1 3 343.479 0.993 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CC1=O ZINC000073940158 436101182 /nfs/dbraw/zinc/10/11/82/436101182.db2.gz GOBKYSXVMXEPHM-YYIAUSFCSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1=O ZINC000073940158 436101190 /nfs/dbraw/zinc/10/11/90/436101190.db2.gz GOBKYSXVMXEPHM-YYIAUSFCSA-N 1 3 348.491 0.339 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345579 436124785 /nfs/dbraw/zinc/12/47/85/436124785.db2.gz XOSWVIAPNVCPSX-GJZGRUSLSA-N 1 3 339.484 0.357 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345579 436124792 /nfs/dbraw/zinc/12/47/92/436124792.db2.gz XOSWVIAPNVCPSX-GJZGRUSLSA-N 1 3 339.484 0.357 20 0 ECADHO C[N@@H+]1CC[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@@H]2CCC[C@H]21 ZINC000375889348 301218918 /nfs/dbraw/zinc/21/89/18/301218918.db2.gz ONTGFZMTPNQKGL-YESZJQIVSA-N 1 3 344.459 0.864 20 0 ECADHO C[N@H+]1CC[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@@H]2CCC[C@H]21 ZINC000375889348 301218921 /nfs/dbraw/zinc/21/89/21/301218921.db2.gz ONTGFZMTPNQKGL-YESZJQIVSA-N 1 3 344.459 0.864 20 0 ECADHO CN1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)[C@@H]2CCC[C@H]21 ZINC000375889348 301218924 /nfs/dbraw/zinc/21/89/24/301218924.db2.gz ONTGFZMTPNQKGL-YESZJQIVSA-N 1 3 344.459 0.864 20 0 ECADHO COC(=O)[C@H]1CC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377124094 301322868 /nfs/dbraw/zinc/32/28/68/301322868.db2.gz CPGRMRBLYHXPRD-HOTGVXAUSA-N 1 3 337.464 0.860 20 0 ECADHO CN1CC[C@@H](C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)[C@@H]1c1ccccc1 ZINC000377764132 301373715 /nfs/dbraw/zinc/37/37/15/301373715.db2.gz SMOJZEZFGCFCQV-RDJZCZTQSA-N 1 3 342.443 0.867 20 0 ECADHO CC[NH+](CC)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000079027895 436285834 /nfs/dbraw/zinc/28/58/34/436285834.db2.gz JBTNFTFFBICIHG-MRXNPFEDSA-N 1 3 327.517 0.899 20 0 ECADHO CCOC(=O)N1CCC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000492870039 301512009 /nfs/dbraw/zinc/51/20/09/301512009.db2.gz YLVGPPQJBJZAQB-HNNXBMFYSA-N 1 3 342.484 0.807 20 0 ECADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000516664356 301676060 /nfs/dbraw/zinc/67/60/60/301676060.db2.gz FFJKSTOHQFTDHN-HZPDHXFCSA-N 1 3 345.447 0.202 20 0 ECADHO CN1CCN(CC2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529352776 301942318 /nfs/dbraw/zinc/94/23/18/301942318.db2.gz MQKKWZXKSKKWDM-KRWDZBQOSA-N 1 3 349.523 0.940 20 0 ECADHO COC(=O)NCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000107578685 436612750 /nfs/dbraw/zinc/61/27/50/436612750.db2.gz JHOHCSVDIHPFJV-UHFFFAOYSA-N 1 3 340.468 0.797 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000108565105 436618517 /nfs/dbraw/zinc/61/85/17/436618517.db2.gz ZFWIGBPZBGOJIE-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO CN1CCC[C@@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000108565105 436618519 /nfs/dbraw/zinc/61/85/19/436618519.db2.gz ZFWIGBPZBGOJIE-SJORKVTESA-N 1 3 337.512 0.892 20 0 ECADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000108547931 436619210 /nfs/dbraw/zinc/61/92/10/436619210.db2.gz QHMWYFKXPHCDIH-SJORKVTESA-N 1 3 339.528 0.899 20 0 ECADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000108547931 436619212 /nfs/dbraw/zinc/61/92/12/436619212.db2.gz QHMWYFKXPHCDIH-SJORKVTESA-N 1 3 339.528 0.899 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(OCC(N)=O)c1 ZINC000530880672 302032988 /nfs/dbraw/zinc/03/29/88/302032988.db2.gz NGWPTSXNEVMPIJ-UHFFFAOYSA-N 1 3 336.436 0.116 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CCC[C@H](C(=O)NCC[N@H+](C)CC)C1 ZINC000112925779 436635489 /nfs/dbraw/zinc/63/54/89/436635489.db2.gz IUSRSKOEEDZFJK-IYBDPMFKSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(C)CCNC(=O)[C@@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC)C1 ZINC000112925779 436635491 /nfs/dbraw/zinc/63/54/91/436635491.db2.gz IUSRSKOEEDZFJK-IYBDPMFKSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CCC[C@@H](C(=O)NCC[N@H+](C)CC)C1 ZINC000112925779 436635492 /nfs/dbraw/zinc/63/54/92/436635492.db2.gz IUSRSKOEEDZFJK-IYBDPMFKSA-N 1 3 340.512 0.929 20 0 ECADHO CCN(C)CCNC(=O)[C@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC)C1 ZINC000112925779 436635493 /nfs/dbraw/zinc/63/54/93/436635493.db2.gz IUSRSKOEEDZFJK-IYBDPMFKSA-N 1 3 340.512 0.929 20 0 ECADHO CN(CCC[NH+]1CCN(C)CC1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000120231640 436682001 /nfs/dbraw/zinc/68/20/01/436682001.db2.gz FOYBUHGRDBIDRJ-INIZCTEOSA-N 1 3 334.468 0.095 20 0 ECADHO COc1nc(NC2CCN(C)CC2)nc(NC2CC[NH+](C)CC2)n1 ZINC000153031646 436747481 /nfs/dbraw/zinc/74/74/81/436747481.db2.gz LVBRVRFHOPDDLP-UHFFFAOYSA-N 1 3 335.456 0.892 20 0 ECADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000238040434 436752335 /nfs/dbraw/zinc/75/23/35/436752335.db2.gz QEVYTKKRSXZSOV-SFHVURJKSA-N 1 3 330.476 0.920 20 0 ECADHO CC[N@H+](CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(C)C ZINC000153264898 436752848 /nfs/dbraw/zinc/75/28/48/436752848.db2.gz NQGASPZQYXGOBH-UHFFFAOYSA-N 1 3 338.456 0.230 20 0 ECADHO CC[N@@H+](CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(C)C ZINC000153264898 436752853 /nfs/dbraw/zinc/75/28/53/436752853.db2.gz NQGASPZQYXGOBH-UHFFFAOYSA-N 1 3 338.456 0.230 20 0 ECADHO C[C@H](CO)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154331512 436776362 /nfs/dbraw/zinc/77/63/62/436776362.db2.gz BMCUUIRRFVFDQC-KGLIPLIRSA-N 1 3 326.485 0.861 20 0 ECADHO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2C2CCOCC2)CCOCC1 ZINC000155365775 436794742 /nfs/dbraw/zinc/79/47/42/436794742.db2.gz JPLRVQVVOKYERY-MRXNPFEDSA-N 1 3 339.480 0.857 20 0 ECADHO O=C1CNC(=O)N1CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280241031 436874367 /nfs/dbraw/zinc/87/43/67/436874367.db2.gz BNJVCGWPSLDWES-CALCHBBNSA-N 1 3 342.443 0.992 20 0 ECADHO O=C1CNC(=O)N1CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280241031 436874371 /nfs/dbraw/zinc/87/43/71/436874371.db2.gz BNJVCGWPSLDWES-CALCHBBNSA-N 1 3 342.443 0.992 20 0 ECADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)O1 ZINC000261929527 436897023 /nfs/dbraw/zinc/89/70/23/436897023.db2.gz ZSBYJZIBJAAROJ-MSOLQXFVSA-N 1 3 347.459 0.766 20 0 ECADHO COC1(C(=O)NCC2(N3CCCCC3)CCOCC2)CC[NH2+]CC1 ZINC000168848558 436942482 /nfs/dbraw/zinc/94/24/82/436942482.db2.gz SFNKKOUZJAZJSG-UHFFFAOYSA-N 1 3 339.480 0.906 20 0 ECADHO CC(C)[NH2+]CCC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000168375762 436943225 /nfs/dbraw/zinc/94/32/25/436943225.db2.gz UBSSQQCJULWHHQ-UHFFFAOYSA-N 1 3 334.464 0.982 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263133422 436953007 /nfs/dbraw/zinc/95/30/07/436953007.db2.gz BXEGELWLPDEZEV-MAUKXSAKSA-N 1 3 338.496 0.907 20 0 ECADHO O[C@H](CN1CCOCC1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173955534 437071440 /nfs/dbraw/zinc/07/14/40/437071440.db2.gz WKEBWHBIAAEZBN-KRWDZBQOSA-N 1 3 341.496 0.256 20 0 ECADHO CN(C)CCn1ccc(NC(=O)NCC2CC[NH+](CCO)CC2)n1 ZINC000173949328 437071872 /nfs/dbraw/zinc/07/18/72/437071872.db2.gz AVGUDXVJEXDAKB-UHFFFAOYSA-N 1 3 338.456 0.271 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331455579 437098903 /nfs/dbraw/zinc/09/89/03/437098903.db2.gz DKNJZNVMZVYWJT-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331455579 437098905 /nfs/dbraw/zinc/09/89/05/437098905.db2.gz DKNJZNVMZVYWJT-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CNCCC1(F)F ZINC000418742525 303372178 /nfs/dbraw/zinc/37/21/78/303372178.db2.gz BZGSXXHVRKAPRN-NWDGAFQWSA-N 1 3 347.410 0.013 20 0 ECADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000332089085 437207861 /nfs/dbraw/zinc/20/78/61/437207861.db2.gz KWJQZMBMGQKUCW-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000332646188 437239407 /nfs/dbraw/zinc/23/94/07/437239407.db2.gz SQTHVYKPNXDNOY-IMJJTQAJSA-N 1 3 336.480 0.657 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCNC[C@@](C)(F)C2)CC1 ZINC000333391479 437270045 /nfs/dbraw/zinc/27/00/45/437270045.db2.gz OWFCGTSBQRHZAK-DOTOQJQBSA-N 1 3 343.491 0.603 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000336871870 437302560 /nfs/dbraw/zinc/30/25/60/437302560.db2.gz NQJPIJFWZKFTKD-MRXNPFEDSA-N 1 3 326.485 0.857 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000336871870 437302562 /nfs/dbraw/zinc/30/25/62/437302562.db2.gz NQJPIJFWZKFTKD-MRXNPFEDSA-N 1 3 326.485 0.857 20 0 ECADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000333644142 437279108 /nfs/dbraw/zinc/27/91/08/437279108.db2.gz IUBLQLRGUTVBFF-CHWSQXEVSA-N 1 3 349.401 0.312 20 0 ECADHO CC(C)N1CCN(CCC[N@H+](C)C2CCN(CCO)CC2)CC1 ZINC000337321677 437350185 /nfs/dbraw/zinc/35/01/85/437350185.db2.gz CDZYBKQUAUIFHQ-UHFFFAOYSA-N 1 3 326.529 0.791 20 0 ECADHO CC(C)N1CCN(CCC[N@@H+](C)C2CCN(CCO)CC2)CC1 ZINC000337321677 437350189 /nfs/dbraw/zinc/35/01/89/437350189.db2.gz CDZYBKQUAUIFHQ-UHFFFAOYSA-N 1 3 326.529 0.791 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC000183355193 437384420 /nfs/dbraw/zinc/38/44/20/437384420.db2.gz CYKUFMHSWPZQEI-CVEARBPZSA-N 1 3 327.469 0.572 20 0 ECADHO CCOCCONC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000187799975 437514991 /nfs/dbraw/zinc/51/49/91/437514991.db2.gz BICVIOQLJFNRMK-UHFFFAOYSA-N 1 3 328.457 0.812 20 0 ECADHO CCN(C)C(=O)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000361688681 437679996 /nfs/dbraw/zinc/67/99/96/437679996.db2.gz BQPIPENBWAGCDM-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CCN(C)C(=O)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000361688681 437680007 /nfs/dbraw/zinc/68/00/07/437680007.db2.gz BQPIPENBWAGCDM-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340520005 437682051 /nfs/dbraw/zinc/68/20/51/437682051.db2.gz XCPKTLJODVECEL-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340520005 437682055 /nfs/dbraw/zinc/68/20/55/437682055.db2.gz XCPKTLJODVECEL-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000362791581 437754137 /nfs/dbraw/zinc/75/41/37/437754137.db2.gz YKJDGMCUQOQCDH-YOEHRIQHSA-N 1 3 346.475 0.792 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000362791581 437754139 /nfs/dbraw/zinc/75/41/39/437754139.db2.gz YKJDGMCUQOQCDH-YOEHRIQHSA-N 1 3 346.475 0.792 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCNC(=O)CC3)CC2)CC1 ZINC000356273945 437757965 /nfs/dbraw/zinc/75/79/65/437757965.db2.gz RDTDZRTXJJKBDG-UHFFFAOYSA-N 1 3 337.468 0.077 20 0 ECADHO COCC1(C(=O)Nc2ccc(N3CCNCC3)cn2)CC[NH2+]CC1 ZINC000370553355 437802754 /nfs/dbraw/zinc/80/27/54/437802754.db2.gz DPLKDAMEEKMTCY-UHFFFAOYSA-N 1 3 333.436 0.446 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423686411 437803310 /nfs/dbraw/zinc/80/33/10/437803310.db2.gz TYTZYFVEDUKXGC-ARFHVFGLSA-N 1 3 336.480 0.802 20 0 ECADHO O=C(C[C@H]1CNCCO1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000370588478 437808014 /nfs/dbraw/zinc/80/80/14/437808014.db2.gz KNQVLPMTCAYCJM-KBPBESRZSA-N 1 3 347.415 0.912 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000423714573 437809331 /nfs/dbraw/zinc/80/93/31/437809331.db2.gz GKEOXSXYSZQWHG-HOTGVXAUSA-N 1 3 338.496 0.907 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1=O ZINC000365228341 437877692 /nfs/dbraw/zinc/87/76/92/437877692.db2.gz TXMUZSYFDQHWOW-HZMVEIRTSA-N 1 3 348.491 0.530 20 0 ECADHO CCN1CCN(CCCCNC(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000370766928 437830944 /nfs/dbraw/zinc/83/09/44/437830944.db2.gz QHDMCZINBUXAKG-GOSISDBHSA-N 1 3 340.512 0.537 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415613311 437832212 /nfs/dbraw/zinc/83/22/12/437832212.db2.gz LYZMRSDPQHADFB-CZUORRHYSA-N 1 3 348.447 0.680 20 0 ECADHO CN(CC(=O)N1CCNC(=O)C1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364973146 437837419 /nfs/dbraw/zinc/83/74/19/437837419.db2.gz GFPJNVFUHKNLJM-UHFFFAOYSA-N 1 3 345.447 0.188 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000415819127 437863945 /nfs/dbraw/zinc/86/39/45/437863945.db2.gz XXVMQRWGTMOFSA-CJNGLKHVSA-N 1 3 346.431 0.386 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424159199 437896779 /nfs/dbraw/zinc/89/67/79/437896779.db2.gz UZZWQEUPDJLVDC-KFWWJZLASA-N 1 3 332.452 0.901 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000342024543 437944517 /nfs/dbraw/zinc/94/45/17/437944517.db2.gz PYKPOIJOLGUWMS-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000342102698 437966670 /nfs/dbraw/zinc/96/66/70/437966670.db2.gz GXCDDGFABBBJSW-UONOGXRCSA-N 1 3 338.496 0.774 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000341999666 437936741 /nfs/dbraw/zinc/93/67/41/437936741.db2.gz HWSFNVMSNWWLNC-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)NCCC[NH3+])cc2)CC1 ZINC000417001381 438014831 /nfs/dbraw/zinc/01/48/31/438014831.db2.gz ZZZJDNFJSBSPNY-UHFFFAOYSA-N 1 3 333.480 0.972 20 0 ECADHO O=C(NCCCN1CCc2ccccc2C1)NCCN1CC[NH2+]CC1 ZINC000417022504 438017799 /nfs/dbraw/zinc/01/77/99/438017799.db2.gz KYCMRUSYQXJASH-UHFFFAOYSA-N 1 3 345.491 0.639 20 0 ECADHO [NH3+][C@H](CNC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000417365915 438043279 /nfs/dbraw/zinc/04/32/79/438043279.db2.gz JWYNNMCMNBNJQT-QGZVFWFLSA-N 1 3 346.479 0.630 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417431097 438049298 /nfs/dbraw/zinc/04/92/98/438049298.db2.gz QPCXHXMCCGTGLF-AWEZNQCLSA-N 1 3 341.500 0.746 20 0 ECADHO CN(C)[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000416827410 437995890 /nfs/dbraw/zinc/99/58/90/437995890.db2.gz CQEPOILRXGXLSW-DLBZAZTESA-N 1 3 334.464 0.919 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(CC[NH3+])CCO ZINC000417837129 438082815 /nfs/dbraw/zinc/08/28/15/438082815.db2.gz XJERERUBDGEYAE-NVXWUHKLSA-N 1 3 334.464 0.860 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C=C[C@@H](CO)C3)CC2)CC1 ZINC000357856617 438084343 /nfs/dbraw/zinc/08/43/43/438084343.db2.gz STWKGANETXKQIN-GDBMZVCRSA-N 1 3 336.480 0.781 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000348761629 438095418 /nfs/dbraw/zinc/09/54/18/438095418.db2.gz JHZKHPSEFXAZRV-NVXWUHKLSA-N 1 3 348.491 0.840 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000348761629 438095431 /nfs/dbraw/zinc/09/54/31/438095431.db2.gz JHZKHPSEFXAZRV-NVXWUHKLSA-N 1 3 348.491 0.840 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1=CCN(C)CC1 ZINC000348760002 438095691 /nfs/dbraw/zinc/09/56/91/438095691.db2.gz DNKWSUMDURFYIH-JKSUJKDBSA-N 1 3 348.491 0.697 20 0 ECADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417994389 438099896 /nfs/dbraw/zinc/09/98/96/438099896.db2.gz YUJQVQRQOPTFFS-RDJZCZTQSA-N 1 3 333.480 0.710 20 0 ECADHO [NH3+]C[C@H]1CCCN1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418004718 438102364 /nfs/dbraw/zinc/10/23/64/438102364.db2.gz ZXOPUOBMIWJJOV-SJORKVTESA-N 1 3 332.448 0.886 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418097576 438107947 /nfs/dbraw/zinc/10/79/47/438107947.db2.gz KISMYPOOACJGGF-OAHLLOKOSA-N 1 3 325.501 0.701 20 0 ECADHO C[C@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000418179170 438115126 /nfs/dbraw/zinc/11/51/26/438115126.db2.gz XGRDZSDDKJQHJO-GJZGRUSLSA-N 1 3 325.501 0.781 20 0 ECADHO O=C(CNC[C@@H]1CCCO1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000430778212 438121638 /nfs/dbraw/zinc/12/16/38/438121638.db2.gz PMYTYHXHHHMFPX-ZBFHGGJFSA-N 1 3 325.453 0.372 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418287329 438122965 /nfs/dbraw/zinc/12/29/65/438122965.db2.gz TVJDDZXBCDRITM-HNNXBMFYSA-N 1 3 337.468 0.077 20 0 ECADHO [NH3+]CCNC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418306743 438129885 /nfs/dbraw/zinc/12/98/85/438129885.db2.gz RNTSSUJMHRSRQY-KRWDZBQOSA-N 1 3 331.464 0.547 20 0 ECADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430923174 438130119 /nfs/dbraw/zinc/13/01/19/438130119.db2.gz CNPIQSATFKYIMA-LSDHHAIUSA-N 1 3 346.479 0.573 20 0 ECADHO CC[NH2+]CCNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418329577 438132219 /nfs/dbraw/zinc/13/22/19/438132219.db2.gz UPLWEDZDXSUAEU-SFHVURJKSA-N 1 3 334.464 0.874 20 0 ECADHO O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418388325 438138780 /nfs/dbraw/zinc/13/87/80/438138780.db2.gz UURRPKGJPWHOHM-RCCFBDPRSA-N 1 3 346.475 0.921 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)C(=O)NCCN(C)C ZINC000418378826 438139301 /nfs/dbraw/zinc/13/93/01/438139301.db2.gz VTGVAAPFVJAUHS-KBPBESRZSA-N 1 3 327.473 0.130 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418423638 438143267 /nfs/dbraw/zinc/14/32/67/438143267.db2.gz JNTLLUPXQYSSFR-BZUAXINKSA-N 1 3 325.501 0.829 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418469159 438148621 /nfs/dbraw/zinc/14/86/21/438148621.db2.gz JWPRCBNVXYQFJM-CRAIPNDOSA-N 1 3 334.464 0.860 20 0 ECADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000367181237 438177759 /nfs/dbraw/zinc/17/77/59/438177759.db2.gz XKJVOTWHQPCNBW-QCODTGAPSA-N 1 3 325.453 0.498 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000418771075 438184735 /nfs/dbraw/zinc/18/47/35/438184735.db2.gz RKFNXMZMZBHALK-HUUCEWRRSA-N 1 3 328.457 0.117 20 0 ECADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418787838 438188010 /nfs/dbraw/zinc/18/80/10/438188010.db2.gz KGFRXKODBWDSJZ-LSDHHAIUSA-N 1 3 339.484 0.405 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C1=CCN(C)CC1 ZINC000358285875 438192326 /nfs/dbraw/zinc/19/23/26/438192326.db2.gz AXBPRXHRQXMTHN-KBPBESRZSA-N 1 3 334.464 0.520 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C1=CCN(C)CC1 ZINC000358285875 438192330 /nfs/dbraw/zinc/19/23/30/438192330.db2.gz AXBPRXHRQXMTHN-KBPBESRZSA-N 1 3 334.464 0.520 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418855817 438220763 /nfs/dbraw/zinc/22/07/63/438220763.db2.gz VOTYPUYRKUGSNR-HOCLYGCPSA-N 1 3 334.464 0.247 20 0 ECADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])c1ccccc1 ZINC000418859804 438222155 /nfs/dbraw/zinc/22/21/55/438222155.db2.gz KZTFEOZKBKLQHM-GOEBONIOSA-N 1 3 334.464 0.897 20 0 ECADHO CN1CC[C@@](O)(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000358432334 438224976 /nfs/dbraw/zinc/22/49/76/438224976.db2.gz GQARPAQRVKXFBP-QGZVFWFLSA-N 1 3 336.436 0.815 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000418872491 438228075 /nfs/dbraw/zinc/22/80/75/438228075.db2.gz RWKGRNCLZIXWDI-HNNXBMFYSA-N 1 3 326.485 0.714 20 0 ECADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418876762 438233426 /nfs/dbraw/zinc/23/34/26/438233426.db2.gz MOQLOLMMVRLIJK-OIISXLGYSA-N 1 3 346.475 0.390 20 0 ECADHO C[C@H](CN(C)C)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000358520362 438245196 /nfs/dbraw/zinc/24/51/96/438245196.db2.gz GZISTOFBJDKTEY-CVEARBPZSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H](CN(C)C)NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000358520362 438245199 /nfs/dbraw/zinc/24/51/99/438245199.db2.gz GZISTOFBJDKTEY-CVEARBPZSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H](CN(C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000358520364 438245349 /nfs/dbraw/zinc/24/53/49/438245349.db2.gz GZISTOFBJDKTEY-HZPDHXFCSA-N 1 3 325.501 0.748 20 0 ECADHO C[C@H](CN(C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000358520364 438245351 /nfs/dbraw/zinc/24/53/51/438245351.db2.gz GZISTOFBJDKTEY-HZPDHXFCSA-N 1 3 325.501 0.748 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418825588 438202871 /nfs/dbraw/zinc/20/28/71/438202871.db2.gz ADSOMCYIJHVKQJ-DLBZAZTESA-N 1 3 348.491 0.765 20 0 ECADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000418935635 438256290 /nfs/dbraw/zinc/25/62/90/438256290.db2.gz JTGIJQVDHYHNFH-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@@H+]1C ZINC000418969207 438267905 /nfs/dbraw/zinc/26/79/05/438267905.db2.gz VASMRZAKPRXCSO-QSPRXWTASA-N 1 3 344.459 0.539 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@H+]1C ZINC000418969207 438267909 /nfs/dbraw/zinc/26/79/09/438267909.db2.gz VASMRZAKPRXCSO-QSPRXWTASA-N 1 3 344.459 0.539 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418971058 438269785 /nfs/dbraw/zinc/26/97/85/438269785.db2.gz XDRNSLAFYBJFDL-HOTGVXAUSA-N 1 3 346.475 0.739 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000418980618 438271519 /nfs/dbraw/zinc/27/15/19/438271519.db2.gz APOCRCJEVVJUTD-INIZCTEOSA-N 1 3 346.475 0.952 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000418985813 438273730 /nfs/dbraw/zinc/27/37/30/438273730.db2.gz GBRXTQHNZSGFJM-JKSUJKDBSA-N 1 3 332.448 0.608 20 0 ECADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N[C@H](CN)C2CC2)cc1 ZINC000419006248 438281222 /nfs/dbraw/zinc/28/12/22/438281222.db2.gz HOGCDNGEPIOPSO-QGZVFWFLSA-N 1 3 346.475 0.998 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000419007568 438283771 /nfs/dbraw/zinc/28/37/71/438283771.db2.gz YJYPUYQLKGGNRB-IAGOWNOFSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000419007616 438283910 /nfs/dbraw/zinc/28/39/10/438283910.db2.gz URTAPISDAUKJAJ-RDJZCZTQSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000358700238 438284782 /nfs/dbraw/zinc/28/47/82/438284782.db2.gz ZBKRIHIUXSQDCC-NVXWUHKLSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000358700238 438284784 /nfs/dbraw/zinc/28/47/84/438284784.db2.gz ZBKRIHIUXSQDCC-NVXWUHKLSA-N 1 3 326.485 0.864 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419021516 438290978 /nfs/dbraw/zinc/29/09/78/438290978.db2.gz HABPNXRBQCYRLA-FMKPAKJESA-N 1 3 338.496 0.857 20 0 ECADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCCNCC1 ZINC000419025898 438293778 /nfs/dbraw/zinc/29/37/78/438293778.db2.gz ZPHOQYYKPXDYTP-UHFFFAOYSA-N 1 3 346.475 0.967 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000376829221 438294679 /nfs/dbraw/zinc/29/46/79/438294679.db2.gz HXJWPWJSQVEJRF-YIONKMFJSA-N 1 3 334.468 1.534 20 0 ECADHO CN(C)CCn1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000376829221 438294681 /nfs/dbraw/zinc/29/46/81/438294681.db2.gz HXJWPWJSQVEJRF-YIONKMFJSA-N 1 3 334.468 1.534 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419097379 438318620 /nfs/dbraw/zinc/31/86/20/438318620.db2.gz DZVQAJHKLXBJPR-CABCVRRESA-N 1 3 326.485 0.857 20 0 ECADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419121544 438331551 /nfs/dbraw/zinc/33/15/51/438331551.db2.gz AUUFUDYALCKKPM-OAHLLOKOSA-N 1 3 348.447 0.193 20 0 ECADHO O=C(C[C@@H]1CSCCN1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000434870939 438331710 /nfs/dbraw/zinc/33/17/10/438331710.db2.gz UPRBZBADIMZUEX-CQSZACIVSA-N 1 3 327.494 0.843 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000419132698 438338147 /nfs/dbraw/zinc/33/81/47/438338147.db2.gz FAERCJBVRBRAGA-HNNXBMFYSA-N 1 3 348.447 0.064 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000419136867 438340809 /nfs/dbraw/zinc/34/08/09/438340809.db2.gz OEQXFLTYHJJCLJ-DLBZAZTESA-N 1 3 344.459 0.895 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000419033670 438299584 /nfs/dbraw/zinc/29/95/84/438299584.db2.gz YOGVHIBSJMIZEN-CABCVRRESA-N 1 3 338.496 0.871 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)C(C)(C)C[NH+](C)C ZINC000358829910 438311937 /nfs/dbraw/zinc/31/19/37/438311937.db2.gz QEOYDSRJXQHDQM-CYBMUJFWSA-N 1 3 326.485 0.632 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419078798 438312728 /nfs/dbraw/zinc/31/27/28/438312728.db2.gz LQIRHTHTNVAJIQ-HRCADAONSA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000419078426 438313742 /nfs/dbraw/zinc/31/37/42/438313742.db2.gz LADQYDRUVDZYDU-ZBFHGGJFSA-N 1 3 338.496 0.953 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000358843614 438314368 /nfs/dbraw/zinc/31/43/68/438314368.db2.gz CEXZVEIYFMWHSS-KBPBESRZSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000358853362 438317176 /nfs/dbraw/zinc/31/71/76/438317176.db2.gz OINPTVGGXYVIEH-CQSZACIVSA-N 1 3 328.501 0.878 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000419167307 438348865 /nfs/dbraw/zinc/34/88/65/438348865.db2.gz IJYVGUJASCXAGU-GJZGRUSLSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419414990 438357511 /nfs/dbraw/zinc/35/75/11/438357511.db2.gz FOBVBXTWQZZALU-GDBMZVCRSA-N 1 3 332.448 0.745 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000419541039 438362722 /nfs/dbraw/zinc/36/27/22/438362722.db2.gz BSYSZDOWSIFEKV-TZMCWYRMSA-N 1 3 338.477 0.583 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1CN ZINC000419528552 438363505 /nfs/dbraw/zinc/36/35/05/438363505.db2.gz WJVPFCJLOGDKOK-LBDPXKHJSA-N 1 3 338.496 0.809 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419674544 438366692 /nfs/dbraw/zinc/36/66/92/438366692.db2.gz KBCNAXXTCDXUFE-UHFFFAOYSA-N 1 3 338.496 0.875 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419718572 438369505 /nfs/dbraw/zinc/36/95/05/438369505.db2.gz DTGGYCVDYPQLHE-LBPRGKRZSA-N 1 3 326.485 0.901 20 0 ECADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420214828 438394342 /nfs/dbraw/zinc/39/43/42/438394342.db2.gz KRPQXKOTSRISCJ-INIZCTEOSA-N 1 3 334.464 0.499 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000419756962 438372595 /nfs/dbraw/zinc/37/25/95/438372595.db2.gz BVACBSZZOCTVJF-YOEHRIQHSA-N 1 3 346.475 0.867 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419980792 438380291 /nfs/dbraw/zinc/38/02/91/438380291.db2.gz RIGLVTDYWFXOHR-OWCLPIDISA-N 1 3 338.496 0.871 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386323355 438419979 /nfs/dbraw/zinc/41/99/79/438419979.db2.gz ITEFATVTMVYVRP-AEFFLSMTSA-N 1 3 346.475 0.724 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386323355 438419982 /nfs/dbraw/zinc/41/99/82/438419982.db2.gz ITEFATVTMVYVRP-AEFFLSMTSA-N 1 3 346.475 0.724 20 0 ECADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)CN1CCN(C)CC1 ZINC000420806906 438442738 /nfs/dbraw/zinc/44/27/38/438442738.db2.gz PYSHXMVQTSEGNI-HOTGVXAUSA-N 1 3 325.501 0.606 20 0 ECADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)CN1CCN(C)CC1 ZINC000420806906 438442744 /nfs/dbraw/zinc/44/27/44/438442744.db2.gz PYSHXMVQTSEGNI-HOTGVXAUSA-N 1 3 325.501 0.606 20 0 ECADHO CC(C)OC(=O)CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000420327248 438400289 /nfs/dbraw/zinc/40/02/89/438400289.db2.gz YJEZQFRJRVPRAT-HUUCEWRRSA-N 1 3 325.453 0.908 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000359272959 438401654 /nfs/dbraw/zinc/40/16/54/438401654.db2.gz MUWCAFSGEZUVDC-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000359272959 438401659 /nfs/dbraw/zinc/40/16/59/438401659.db2.gz MUWCAFSGEZUVDC-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@H+](CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)C1CC1 ZINC000369395878 438466200 /nfs/dbraw/zinc/46/62/00/438466200.db2.gz QZZCRUMBJLBTPT-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)C1CC1 ZINC000369395878 438466201 /nfs/dbraw/zinc/46/62/01/438466201.db2.gz QZZCRUMBJLBTPT-KRWDZBQOSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000421518701 438489633 /nfs/dbraw/zinc/48/96/33/438489633.db2.gz PCARQZLOQVNIDH-FHERZECASA-N 1 3 338.496 0.824 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422083781 438514463 /nfs/dbraw/zinc/51/44/63/438514463.db2.gz ACDIJWSCDPAWPN-HNNXBMFYSA-N 1 3 342.484 0.012 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422083781 438514467 /nfs/dbraw/zinc/51/44/67/438514467.db2.gz ACDIJWSCDPAWPN-HNNXBMFYSA-N 1 3 342.484 0.012 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422310258 438550724 /nfs/dbraw/zinc/55/07/24/438550724.db2.gz VTZBGUJLNCXVQU-GPANFISMSA-N 1 3 338.496 0.966 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422311525 438550852 /nfs/dbraw/zinc/55/08/52/438550852.db2.gz QPZHLBAFHDFERS-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CCN(CCNC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1(C)C ZINC000442619537 438612240 /nfs/dbraw/zinc/61/22/40/438612240.db2.gz IHVBDTQWJVRKDU-OAHLLOKOSA-N 1 3 325.501 0.606 20 0 ECADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000422983557 438624734 /nfs/dbraw/zinc/62/47/34/438624734.db2.gz ZYEJWYRASSUAPI-XDNAFOTISA-N 1 3 325.497 0.826 20 0 ECADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423169225 438645307 /nfs/dbraw/zinc/64/53/07/438645307.db2.gz VSNVEJZAOVVNCZ-INIZCTEOSA-N 1 3 347.463 0.312 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC2CCCCC2)C[C@H]1[NH3+] ZINC000423178576 438647437 /nfs/dbraw/zinc/64/74/37/438647437.db2.gz BYCJSMGZWPRPII-GDBMZVCRSA-N 1 3 338.496 0.763 20 0 ECADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423198624 438648050 /nfs/dbraw/zinc/64/80/50/438648050.db2.gz GWNXDMHMSUPNGL-QGZVFWFLSA-N 1 3 346.475 0.569 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000423216484 438649465 /nfs/dbraw/zinc/64/94/65/438649465.db2.gz ONKNLAOELLOQSC-UHFFFAOYSA-N 1 3 338.496 0.907 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423228517 438649955 /nfs/dbraw/zinc/64/99/55/438649955.db2.gz ZXOGDHCDLFWYAD-XHSDSOJGSA-N 1 3 334.464 0.141 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423349983 438665596 /nfs/dbraw/zinc/66/55/96/438665596.db2.gz YEFWOKULXPQDOU-OAHLLOKOSA-N 1 3 330.436 0.530 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000410803002 438659496 /nfs/dbraw/zinc/65/94/96/438659496.db2.gz UKBLOLZCEMGEBL-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO COc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1O ZINC000414653371 438713658 /nfs/dbraw/zinc/71/36/58/438713658.db2.gz IDTFCGVZGROOJV-CYBMUJFWSA-N 1 3 337.420 0.696 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccc(O)cc3)CC2)C1 ZINC000414663053 438714647 /nfs/dbraw/zinc/71/46/47/438714647.db2.gz APOLTGONZBXFCH-HNNXBMFYSA-N 1 3 332.448 0.712 20 0 ECADHO COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000415102148 438730665 /nfs/dbraw/zinc/73/06/65/438730665.db2.gz JLRHQKMTVBJZCY-ZFWWWQNUSA-N 1 3 333.432 0.786 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000553345874 438750136 /nfs/dbraw/zinc/75/01/36/438750136.db2.gz QRXVPSSWAFDSMO-WBVHZDCISA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000553345874 438750138 /nfs/dbraw/zinc/75/01/38/438750138.db2.gz QRXVPSSWAFDSMO-WBVHZDCISA-N 1 3 348.491 0.816 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000576808014 438799955 /nfs/dbraw/zinc/79/99/55/438799955.db2.gz BETVOTQSOOFXFW-UHFFFAOYSA-N 1 3 339.484 0.182 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000576958495 438806360 /nfs/dbraw/zinc/80/63/60/438806360.db2.gz LHOVQMVTFDGXPX-TUVASFSCSA-N 1 3 337.468 0.060 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000576958495 438806364 /nfs/dbraw/zinc/80/63/64/438806364.db2.gz LHOVQMVTFDGXPX-TUVASFSCSA-N 1 3 337.468 0.060 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000576014777 438764965 /nfs/dbraw/zinc/76/49/65/438764965.db2.gz PNUSDRNQKXJTEA-QGZVFWFLSA-N 1 3 346.479 0.501 20 0 ECADHO CNC[C@@H](O)C[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497277051 438787513 /nfs/dbraw/zinc/78/75/13/438787513.db2.gz ICXWBVUNLWFJRO-KGLIPLIRSA-N 1 3 331.457 0.164 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000577165597 438817841 /nfs/dbraw/zinc/81/78/41/438817841.db2.gz NPRLVXGZGKRDNO-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO COCCN(C)C[C@@H](O)C[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000577742837 438867175 /nfs/dbraw/zinc/86/71/75/438867175.db2.gz HSQOXGLKWIXWKO-DOTOQJQBSA-N 1 3 329.485 0.111 20 0 ECADHO CN1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)cn2)CC1 ZINC000515483364 438869987 /nfs/dbraw/zinc/86/99/87/438869987.db2.gz QBASKMXHGZHHOB-HKUYNNGSSA-N 1 3 345.491 0.690 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000458391570 438878249 /nfs/dbraw/zinc/87/82/49/438878249.db2.gz RWCXVETZZCVRMN-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000458391570 438878254 /nfs/dbraw/zinc/87/82/54/438878254.db2.gz RWCXVETZZCVRMN-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO COC(=O)CCN1CC[C@@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1=O ZINC000595900927 438881797 /nfs/dbraw/zinc/88/17/97/438881797.db2.gz PFXVVDQLZRAKRH-HZPDHXFCSA-N 1 3 337.464 0.862 20 0 ECADHO CN(C)CCn1ccc(NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)n1 ZINC000578304675 438912410 /nfs/dbraw/zinc/91/24/10/438912410.db2.gz DYVVZFKYEZWDRM-CYBMUJFWSA-N 1 3 343.435 1.300 20 0 ECADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCN(C2CC2)C1 ZINC000516554768 438912725 /nfs/dbraw/zinc/91/27/25/438912725.db2.gz JKEWEGHOVIDPLO-AAEUAGOBSA-N 1 3 349.401 0.358 20 0 ECADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000565159025 438920483 /nfs/dbraw/zinc/92/04/83/438920483.db2.gz VLCIQFUCUMMTJS-ROUUACIJSA-N 1 3 342.528 0.026 20 0 ECADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000565159025 438920489 /nfs/dbraw/zinc/92/04/89/438920489.db2.gz VLCIQFUCUMMTJS-ROUUACIJSA-N 1 3 342.528 0.026 20 0 ECADHO CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000578488655 438927011 /nfs/dbraw/zinc/92/70/11/438927011.db2.gz DQGDPPKBVYULKM-IAGOWNOFSA-N 1 3 331.464 0.545 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000565255853 438937675 /nfs/dbraw/zinc/93/76/75/438937675.db2.gz VQVMKIBBEPEGAJ-OAHLLOKOSA-N 1 3 336.480 0.649 20 0 ECADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000578767978 438952617 /nfs/dbraw/zinc/95/26/17/438952617.db2.gz JTJPROQANFGRRX-QLFBSQMISA-N 1 3 337.468 0.060 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000565470168 438953183 /nfs/dbraw/zinc/95/31/83/438953183.db2.gz GAZONMXZRHEZHM-BRWVUGGUSA-N 1 3 337.512 0.938 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000517539673 438968052 /nfs/dbraw/zinc/96/80/52/438968052.db2.gz SJOMQJDSGZBGKZ-CVEARBPZSA-N 1 3 325.501 0.781 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000517539673 438968056 /nfs/dbraw/zinc/96/80/56/438968056.db2.gz SJOMQJDSGZBGKZ-CVEARBPZSA-N 1 3 325.501 0.781 20 0 ECADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000517565410 438970953 /nfs/dbraw/zinc/97/09/53/438970953.db2.gz BYLZHPBOGSWALK-AWEZNQCLSA-N 1 3 346.410 0.693 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000591024328 438976839 /nfs/dbraw/zinc/97/68/39/438976839.db2.gz HVMDFSSURITORD-IRXDYDNUSA-N 1 3 337.512 0.940 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000591024328 438976842 /nfs/dbraw/zinc/97/68/42/438976842.db2.gz HVMDFSSURITORD-IRXDYDNUSA-N 1 3 337.512 0.940 20 0 ECADHO COC[C@](C)(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000601898366 438986100 /nfs/dbraw/zinc/98/61/00/438986100.db2.gz SANULELKNOUYKI-QGZVFWFLSA-N 1 3 342.484 0.242 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000579942254 439048333 /nfs/dbraw/zinc/04/83/33/439048333.db2.gz PEUXGMJRSFZHRF-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000580046337 439054999 /nfs/dbraw/zinc/05/49/99/439054999.db2.gz GLEJTJWBQSWNRF-UHFFFAOYSA-N 1 3 326.485 0.729 20 0 ECADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)C1 ZINC000596881169 439012515 /nfs/dbraw/zinc/01/25/15/439012515.db2.gz JSJVCBOYLKKMOM-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)C1 ZINC000596881169 439012519 /nfs/dbraw/zinc/01/25/19/439012519.db2.gz JSJVCBOYLKKMOM-DLBZAZTESA-N 1 3 337.512 0.892 20 0 ECADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000566213037 439027010 /nfs/dbraw/zinc/02/70/10/439027010.db2.gz IUAUHXYBZPRTQN-INMHGKMJSA-N 1 3 325.453 0.500 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000459911752 439030722 /nfs/dbraw/zinc/03/07/22/439030722.db2.gz UQAFXBWEBVPREC-HNNXBMFYSA-N 1 3 326.485 0.443 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000459911752 439030726 /nfs/dbraw/zinc/03/07/26/439030726.db2.gz UQAFXBWEBVPREC-HNNXBMFYSA-N 1 3 326.485 0.443 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602577500 439113315 /nfs/dbraw/zinc/11/33/15/439113315.db2.gz VBERADTYQBLDHU-CVEARBPZSA-N 1 3 333.432 0.905 20 0 ECADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602577500 439113321 /nfs/dbraw/zinc/11/33/21/439113321.db2.gz VBERADTYQBLDHU-CVEARBPZSA-N 1 3 333.432 0.905 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC[NH2+]C3CCCCCC3)CCN2C1=O ZINC000521273301 439113530 /nfs/dbraw/zinc/11/35/30/439113530.db2.gz NUNWPRYUXYJHTD-HUUCEWRRSA-N 1 3 337.468 0.252 20 0 ECADHO C[C@H]1CN(CC2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000479292810 439116454 /nfs/dbraw/zinc/11/64/54/439116454.db2.gz BMTRKUYUAFCNBR-WMHQRMGPSA-N 1 3 325.453 0.057 20 0 ECADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000580706493 439121087 /nfs/dbraw/zinc/12/10/87/439121087.db2.gz NUAQZANYZSFCER-UHFFFAOYSA-N 1 3 344.459 0.445 20 0 ECADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000580706493 439121093 /nfs/dbraw/zinc/12/10/93/439121093.db2.gz NUAQZANYZSFCER-UHFFFAOYSA-N 1 3 344.459 0.445 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000580723312 439123529 /nfs/dbraw/zinc/12/35/29/439123529.db2.gz VRGWKWWCNOZTNK-OAHLLOKOSA-N 1 3 337.468 0.628 20 0 ECADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000567608771 439156961 /nfs/dbraw/zinc/15/69/61/439156961.db2.gz MLLOLPGYLRIKDH-WBVHZDCISA-N 1 3 331.464 0.708 20 0 ECADHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000568089197 439213128 /nfs/dbraw/zinc/21/31/28/439213128.db2.gz LEHASBIQOVOPTF-XDNAFOTISA-N 1 3 343.512 0.139 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568853437 439283547 /nfs/dbraw/zinc/28/35/47/439283547.db2.gz XBYAASRGDDEJQU-PXAZEXFGSA-N 1 3 342.443 0.870 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000568415883 439246049 /nfs/dbraw/zinc/24/60/49/439246049.db2.gz GVUFTWWVIAGHKI-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000592757652 439273506 /nfs/dbraw/zinc/27/35/06/439273506.db2.gz QEYDAEOCCDGUIO-HOTGVXAUSA-N 1 3 336.480 0.802 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000592757652 439273511 /nfs/dbraw/zinc/27/35/11/439273511.db2.gz QEYDAEOCCDGUIO-HOTGVXAUSA-N 1 3 336.480 0.802 20 0 ECADHO CSC1(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCC1 ZINC000582385454 439327625 /nfs/dbraw/zinc/32/76/25/439327625.db2.gz GXSLUPRBMOCKNM-UHFFFAOYSA-N 1 3 344.525 0.340 20 0 ECADHO C[C@H]1CCC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000582136132 439295044 /nfs/dbraw/zinc/29/50/44/439295044.db2.gz BKRKBVAZHUINQA-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCCN1C ZINC000605243316 439364701 /nfs/dbraw/zinc/36/47/01/439364701.db2.gz UTPRQOWZQFLDGY-AWEZNQCLSA-N 1 3 348.447 0.906 20 0 ECADHO Cc1cc(NC(=O)CCNCc2ccnc(OCC[NH+](C)C)c2)no1 ZINC000569568136 439345983 /nfs/dbraw/zinc/34/59/83/439345983.db2.gz FODIBCIKLWCNHP-UHFFFAOYSA-N 1 3 347.419 1.437 20 0 ECADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000582600385 439353636 /nfs/dbraw/zinc/35/36/36/439353636.db2.gz DQCQVHNENSKVLN-MRXNPFEDSA-N 1 3 338.496 0.905 20 0 ECADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000582600385 439353640 /nfs/dbraw/zinc/35/36/40/439353640.db2.gz DQCQVHNENSKVLN-MRXNPFEDSA-N 1 3 338.496 0.905 20 0 ECADHO COc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cc1S(N)(=O)=O ZINC000569988511 439380840 /nfs/dbraw/zinc/38/08/40/439380840.db2.gz QYNLWGVHMPGRBH-OLZOCXBDSA-N 1 3 327.450 0.745 20 0 ECADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583452454 439467404 /nfs/dbraw/zinc/46/74/04/439467404.db2.gz JUPOMHAVZCRUCU-RRFJBIMHSA-N 1 3 337.468 0.060 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)C2)C1 ZINC000583928888 439527929 /nfs/dbraw/zinc/52/79/29/439527929.db2.gz YADZIZTZOXTDQP-MAUKXSAKSA-N 1 3 336.480 0.518 20 0 ECADHO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000571857631 439537274 /nfs/dbraw/zinc/53/72/74/439537274.db2.gz SWXPVMHKDSTQIT-RBSFLKMASA-N 1 3 339.484 0.131 20 0 ECADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584125306 439553427 /nfs/dbraw/zinc/55/34/27/439553427.db2.gz YLMADTUGSAEGTH-IHRRRGAJSA-N 1 3 325.457 0.060 20 0 ECADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584125306 439553433 /nfs/dbraw/zinc/55/34/33/439553433.db2.gz YLMADTUGSAEGTH-IHRRRGAJSA-N 1 3 325.457 0.060 20 0 ECADHO C[C@@H](CN1CCN(c2ccccn2)CC1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000584167776 439557479 /nfs/dbraw/zinc/55/74/79/439557479.db2.gz GRKTWRDNLDHJNQ-FUHWJXTLSA-N 1 3 347.507 0.637 20 0 ECADHO C[C@@H](CN1CCN(c2ccccn2)CC1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584167776 439557481 /nfs/dbraw/zinc/55/74/81/439557481.db2.gz GRKTWRDNLDHJNQ-FUHWJXTLSA-N 1 3 347.507 0.637 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCNC3=O)CC2)CC1 ZINC000572496139 439586507 /nfs/dbraw/zinc/58/65/07/439586507.db2.gz CNIDSBVAKSBBFI-INIZCTEOSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000572579055 439593630 /nfs/dbraw/zinc/59/36/30/439593630.db2.gz JVOBDHBICMWJIZ-OAHLLOKOSA-N 1 3 337.512 0.938 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000572579055 439593633 /nfs/dbraw/zinc/59/36/33/439593633.db2.gz JVOBDHBICMWJIZ-OAHLLOKOSA-N 1 3 337.512 0.938 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000572579055 439593635 /nfs/dbraw/zinc/59/36/35/439593635.db2.gz JVOBDHBICMWJIZ-OAHLLOKOSA-N 1 3 337.512 0.938 20 0 ECADHO C[NH+](C)CCNC(=O)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000572614942 439596835 /nfs/dbraw/zinc/59/68/35/439596835.db2.gz NGMRCJHZUJIZJA-UHFFFAOYSA-N 1 3 338.496 0.635 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000573692291 439660983 /nfs/dbraw/zinc/66/09/83/439660983.db2.gz MQNCJDAORZPXMU-MOPGFXCFSA-N 1 3 334.508 0.357 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000573787242 439666718 /nfs/dbraw/zinc/66/67/18/439666718.db2.gz RWRNLBDTBDNBKJ-UHFFFAOYSA-N 1 3 338.496 0.968 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000574385867 439701552 /nfs/dbraw/zinc/70/15/52/439701552.db2.gz GOZMSTKKRJVMFZ-QXSJWSMHSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000612486930 439717482 /nfs/dbraw/zinc/71/74/82/439717482.db2.gz UQDNLHSMNVICLJ-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612968598 439747744 /nfs/dbraw/zinc/74/77/44/439747744.db2.gz BVDUTXALYHSPOG-OAHLLOKOSA-N 1 3 349.479 0.078 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000613987933 439767518 /nfs/dbraw/zinc/76/75/18/439767518.db2.gz WYXBRJNJYFUSHR-KBUPBQIOSA-N 1 3 326.485 0.820 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1(C)C ZINC000646675474 439859849 /nfs/dbraw/zinc/85/98/49/439859849.db2.gz AVCBTZKDQCHABR-KDOFPFPSSA-N 1 3 347.463 0.962 20 0 ECADHO CN1CCN(CCCNC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662755251 439878305 /nfs/dbraw/zinc/87/83/05/439878305.db2.gz XYZIGOIDSWCBDG-UHFFFAOYSA-N 1 3 335.452 0.509 20 0 ECADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662706704 439851992 /nfs/dbraw/zinc/85/19/92/439851992.db2.gz BHGSYHQGHBBCLL-OCCSQVGLSA-N 1 3 333.436 0.470 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662719146 439858365 /nfs/dbraw/zinc/85/83/65/439858365.db2.gz BJJGQIWZEYXBFG-HUUCEWRRSA-N 1 3 332.452 0.807 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000652698409 439926862 /nfs/dbraw/zinc/92/68/62/439926862.db2.gz CMYJMEMSSSURSN-MRXNPFEDSA-N 1 3 338.496 0.955 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000626882790 439933485 /nfs/dbraw/zinc/93/34/85/439933485.db2.gz WCGWOERTUBFKDN-UHFFFAOYSA-N 1 3 334.420 0.311 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C(N)=O)C(C)C)CC2)CC1 ZINC000646804888 439890132 /nfs/dbraw/zinc/89/01/32/439890132.db2.gz ZEYYBDPEWAWOQC-INIZCTEOSA-N 1 3 338.496 0.809 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652622270 439894382 /nfs/dbraw/zinc/89/43/82/439894382.db2.gz DTNWQYUNZVJFHO-AWEZNQCLSA-N 1 3 338.456 0.215 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)N1CCCC1=O ZINC000617505542 439900734 /nfs/dbraw/zinc/90/07/34/439900734.db2.gz HBJZUFDVBSMTGF-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)N1CCCC1=O ZINC000617505542 439900741 /nfs/dbraw/zinc/90/07/41/439900741.db2.gz HBJZUFDVBSMTGF-LSDHHAIUSA-N 1 3 326.485 0.776 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cnnn1C1CC[NH2+]CC1 ZINC000662836126 439907902 /nfs/dbraw/zinc/90/79/02/439907902.db2.gz WJMIKBKAGOKHMZ-CABCVRRESA-N 1 3 332.452 0.949 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000626936244 439965399 /nfs/dbraw/zinc/96/53/99/439965399.db2.gz FKOGMKWBERSISM-MRXNPFEDSA-N 1 3 337.512 0.988 20 0 ECADHO COCCN(C)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626966503 439973633 /nfs/dbraw/zinc/97/36/33/439973633.db2.gz WCPCVPCQCXKXIL-RYUDHWBXSA-N 1 3 340.390 0.733 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000626971930 439975414 /nfs/dbraw/zinc/97/54/14/439975414.db2.gz UWMCCKHXUMWDBX-UHFFFAOYSA-N 1 3 344.500 0.753 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H](CC)CN2CCCC2)CC1 ZINC000642440131 439983479 /nfs/dbraw/zinc/98/34/79/439983479.db2.gz WPWTVVFBXKTKEP-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642471335 439983551 /nfs/dbraw/zinc/98/35/51/439983551.db2.gz QVIYSEIIVXOGKV-MRXNPFEDSA-N 1 3 344.459 0.491 20 0 ECADHO O=C(NCc1ccccc1CN1CCC(O)CC1)N[C@@H]1CC[NH2+]C1 ZINC000626994412 439983927 /nfs/dbraw/zinc/98/39/27/439983927.db2.gz CJVNLPNHCNPBSC-MRXNPFEDSA-N 1 3 332.448 0.804 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)C[NH2+]1 ZINC000626888917 439939908 /nfs/dbraw/zinc/93/99/08/439939908.db2.gz ZPUPUGSGRBDZMQ-HIFRSBDPSA-N 1 3 348.447 0.822 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000652720096 439940910 /nfs/dbraw/zinc/94/09/10/439940910.db2.gz WCLCPUPEKCLPRL-RHSMWYFYSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000652723963 439943500 /nfs/dbraw/zinc/94/35/00/439943500.db2.gz QDKRUEFZYSFAEH-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000636586620 439948301 /nfs/dbraw/zinc/94/83/01/439948301.db2.gz ZLQYZQLPNZUCDU-YESZJQIVSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000636586620 439948309 /nfs/dbraw/zinc/94/83/09/439948309.db2.gz ZLQYZQLPNZUCDU-YESZJQIVSA-N 1 3 348.491 0.863 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)N(C)Cc1ccccc1 ZINC000642262650 439963916 /nfs/dbraw/zinc/96/39/16/439963916.db2.gz ZBLSDZNXIHEICG-HNNXBMFYSA-N 1 3 346.475 0.963 20 0 ECADHO [NH3+]CC1(CC(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC1 ZINC000663017430 439992187 /nfs/dbraw/zinc/99/21/87/439992187.db2.gz OMUMCSZUVWLGEQ-CQSZACIVSA-N 1 3 346.479 0.654 20 0 ECADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CCC1 ZINC000636742661 440019154 /nfs/dbraw/zinc/01/91/54/440019154.db2.gz XYEOSCBZKGJOBR-OAHLLOKOSA-N 1 3 336.480 0.720 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC[C@H]1[NH3+] ZINC000642768950 440030254 /nfs/dbraw/zinc/03/02/54/440030254.db2.gz UBPRJHCLTOXPDY-XJKCOSOUSA-N 1 3 342.509 0.126 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CCF)C1 ZINC000658537962 439987505 /nfs/dbraw/zinc/98/75/05/439987505.db2.gz ZHQCESINFCYPTE-OAHLLOKOSA-N 1 3 344.475 0.536 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642948164 440067321 /nfs/dbraw/zinc/06/73/21/440067321.db2.gz DJNQGSYQIKTLEY-IAGOWNOFSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H]1C[C@H](NS(=O)(=O)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000632029777 440049890 /nfs/dbraw/zinc/04/98/90/440049890.db2.gz JIOMWRJVYXPRBB-HUUCEWRRSA-N 1 3 332.514 0.026 20 0 ECADHO C[C@@H]1C[C@H](NS(=O)(=O)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC000632029777 440049896 /nfs/dbraw/zinc/04/98/96/440049896.db2.gz JIOMWRJVYXPRBB-HUUCEWRRSA-N 1 3 332.514 0.026 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000627325135 440123131 /nfs/dbraw/zinc/12/31/31/440123131.db2.gz ZHIPWJPBMOCZDB-OAHLLOKOSA-N 1 3 326.485 0.810 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000637014874 440131218 /nfs/dbraw/zinc/13/12/18/440131218.db2.gz JSHSMTQGDITDBN-LSDHHAIUSA-N 1 3 337.468 0.077 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663630862 440131651 /nfs/dbraw/zinc/13/16/51/440131651.db2.gz QRAXJHZBXDZYCW-WBVHZDCISA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663630862 440131655 /nfs/dbraw/zinc/13/16/55/440131655.db2.gz QRAXJHZBXDZYCW-WBVHZDCISA-N 1 3 338.496 0.959 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000627338610 440131926 /nfs/dbraw/zinc/13/19/26/440131926.db2.gz LJFWMIXABBACLX-XJKSGUPXSA-N 1 3 348.447 0.110 20 0 ECADHO CCN(C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1)[C@H]1CCN(CC)C1 ZINC000658821582 440135196 /nfs/dbraw/zinc/13/51/96/440135196.db2.gz MRMXSKXAXVECKP-INIZCTEOSA-N 1 3 338.496 0.918 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000643398562 440140929 /nfs/dbraw/zinc/14/09/29/440140929.db2.gz UGKFEZVKOGSQDB-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000643398562 440140937 /nfs/dbraw/zinc/14/09/37/440140937.db2.gz UGKFEZVKOGSQDB-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000618300069 440094046 /nfs/dbraw/zinc/09/40/46/440094046.db2.gz LWWMDEBNLTXBSI-UHFFFAOYSA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636931801 440099254 /nfs/dbraw/zinc/09/92/54/440099254.db2.gz LUFDGWOKPZPWIE-GDBMZVCRSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@@H]1C[NH3+] ZINC000643478844 440180053 /nfs/dbraw/zinc/18/00/53/440180053.db2.gz LSEPJBSETHYRGT-GJZGRUSLSA-N 1 3 345.447 0.174 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000643494632 440186431 /nfs/dbraw/zinc/18/64/31/440186431.db2.gz RGSIBWOTHKTGFP-BRWVUGGUSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000643503538 440189787 /nfs/dbraw/zinc/18/97/87/440189787.db2.gz SKSFIPKRSRGGLJ-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498944 440190501 /nfs/dbraw/zinc/19/05/01/440190501.db2.gz YLXSNDDFFDHMFQ-XHSDSOJGSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643516669 440196011 /nfs/dbraw/zinc/19/60/11/440196011.db2.gz HPBWXDBJKNFVMV-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CN1CCN(CCCS(=O)(=O)NC2(C[NH+](C)C)CCC2)CC1 ZINC000632302629 440158880 /nfs/dbraw/zinc/15/88/80/440158880.db2.gz LSFNBNAZXNMLKY-UHFFFAOYSA-N 1 3 332.514 0.028 20 0 ECADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000647995088 440209179 /nfs/dbraw/zinc/20/91/79/440209179.db2.gz VYHJOUXBCXKGSP-QRJUGERDSA-N 1 3 326.485 0.669 20 0 ECADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000647995088 440209187 /nfs/dbraw/zinc/20/91/87/440209187.db2.gz VYHJOUXBCXKGSP-QRJUGERDSA-N 1 3 326.485 0.669 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCC1 ZINC000643552851 440212673 /nfs/dbraw/zinc/21/26/73/440212673.db2.gz RPGVOSGDNNCFAV-SOUVJXGZSA-N 1 3 336.480 0.515 20 0 ECADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643574485 440213389 /nfs/dbraw/zinc/21/33/89/440213389.db2.gz MIPLNDCPIWUYBD-HNNXBMFYSA-N 1 3 331.420 0.070 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000637264036 440221176 /nfs/dbraw/zinc/22/11/76/440221176.db2.gz JOSUYGPTWMXOOC-SOUVJXGZSA-N 1 3 330.473 0.098 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000637264036 440221182 /nfs/dbraw/zinc/22/11/82/440221182.db2.gz JOSUYGPTWMXOOC-SOUVJXGZSA-N 1 3 330.473 0.098 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CC1 ZINC000659078395 440230929 /nfs/dbraw/zinc/23/09/29/440230929.db2.gz IIYSYFLYKQGYLC-INIZCTEOSA-N 1 3 346.431 0.496 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CC1 ZINC000659078395 440230934 /nfs/dbraw/zinc/23/09/34/440230934.db2.gz IIYSYFLYKQGYLC-INIZCTEOSA-N 1 3 346.431 0.496 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CCC[C@@H](C)C1 ZINC000627440232 440205836 /nfs/dbraw/zinc/20/58/36/440205836.db2.gz GJRCFEGHQUNRDM-RBSFLKMASA-N 1 3 336.480 0.624 20 0 ECADHO C[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000659020365 440205838 /nfs/dbraw/zinc/20/58/38/440205838.db2.gz ZWAJLTPVLGRQBK-UHFFFAOYSA-N 1 3 335.452 0.890 20 0 ECADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC000648178546 440252951 /nfs/dbraw/zinc/25/29/51/440252951.db2.gz RYBVPNLWQKQUOB-HOCLYGCPSA-N 1 3 336.480 0.563 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000659111528 440256959 /nfs/dbraw/zinc/25/69/59/440256959.db2.gz HWSDPSWQIWQLHS-LLVKDONJSA-N 1 3 340.399 0.429 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)CN1C1CC1 ZINC000664366807 440298221 /nfs/dbraw/zinc/29/82/21/440298221.db2.gz CHNSNSLSADPBIE-CABCVRRESA-N 1 3 325.501 0.794 20 0 ECADHO Cc1ccc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000659318659 440298781 /nfs/dbraw/zinc/29/87/81/440298781.db2.gz UYAJQAIEDNECQX-UHFFFAOYSA-N 1 3 349.479 0.300 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)NC1CC[NH2+]CC1 ZINC000659504921 440347004 /nfs/dbraw/zinc/34/70/04/440347004.db2.gz LNQRKYDUOONIBA-QGZVFWFLSA-N 1 3 332.448 0.804 20 0 ECADHO CO[C@]1(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCOC1 ZINC000664672134 440355782 /nfs/dbraw/zinc/35/57/82/440355782.db2.gz SFGHKLQCFGGTOB-HOCLYGCPSA-N 1 3 330.473 0.363 20 0 ECADHO CO[C@]1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCOC1 ZINC000664672134 440355786 /nfs/dbraw/zinc/35/57/86/440355786.db2.gz SFGHKLQCFGGTOB-HOCLYGCPSA-N 1 3 330.473 0.363 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664731856 440367144 /nfs/dbraw/zinc/36/71/44/440367144.db2.gz LUXAFGCCRJJSRA-HNNXBMFYSA-N 1 3 330.473 0.317 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659441304 440325242 /nfs/dbraw/zinc/32/52/42/440325242.db2.gz DJCURGJVAIBOQJ-VXGBXAGGSA-N 1 3 336.440 0.561 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659441304 440325249 /nfs/dbraw/zinc/32/52/49/440325249.db2.gz DJCURGJVAIBOQJ-VXGBXAGGSA-N 1 3 336.440 0.561 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@]3(O)CC[N@@H+](C)C3)C2)cc1 ZINC000637720820 440328371 /nfs/dbraw/zinc/32/83/71/440328371.db2.gz XDMZIECKPMAOKB-IEBWSBKVSA-N 1 3 346.475 0.935 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@]3(O)CC[N@H+](C)C3)C2)cc1 ZINC000637720820 440328376 /nfs/dbraw/zinc/32/83/76/440328376.db2.gz XDMZIECKPMAOKB-IEBWSBKVSA-N 1 3 346.475 0.935 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000637753308 440331762 /nfs/dbraw/zinc/33/17/62/440331762.db2.gz QRWNQDKCPQQUPS-DLBZAZTESA-N 1 3 337.512 0.798 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000659678217 440414584 /nfs/dbraw/zinc/41/45/84/440414584.db2.gz VPEJNHMSIFVWOI-LSDHHAIUSA-N 1 3 342.484 0.093 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000633035598 440416802 /nfs/dbraw/zinc/41/68/02/440416802.db2.gz WQLIMHNSIWLTHH-GASCZTMLSA-N 1 3 346.431 0.528 20 0 ECADHO O=C(CN1CC[NH2+]CC1)NCC1(N2CCSCC2)CCCC1 ZINC000638072481 440427749 /nfs/dbraw/zinc/42/77/49/440427749.db2.gz SPDDWFWDUDNVAF-UHFFFAOYSA-N 1 3 326.510 0.369 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000649072731 440384225 /nfs/dbraw/zinc/38/42/25/440384225.db2.gz HVHLJNSDNOGERC-AWEZNQCLSA-N 1 3 333.436 0.486 20 0 ECADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1C ZINC000659632333 440387345 /nfs/dbraw/zinc/38/73/45/440387345.db2.gz VSZORUCHLNPEPH-WCQYABFASA-N 1 3 336.440 0.655 20 0 ECADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1C ZINC000659632333 440387352 /nfs/dbraw/zinc/38/73/52/440387352.db2.gz VSZORUCHLNPEPH-WCQYABFASA-N 1 3 336.440 0.655 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000659633059 440388028 /nfs/dbraw/zinc/38/80/28/440388028.db2.gz OVKSKHGLWHNXJM-UHFFFAOYSA-N 1 3 348.451 0.801 20 0 ECADHO [NH3+]C1(CC(=O)NCCc2nc[nH]n2)CCN(Cc2ccccc2)CC1 ZINC000638020923 440396199 /nfs/dbraw/zinc/39/61/99/440396199.db2.gz IYRWTWSOJVLCRB-UHFFFAOYSA-N 1 3 342.447 0.847 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000633006119 440403708 /nfs/dbraw/zinc/40/37/08/440403708.db2.gz QOIVIBFVPFLYMU-WFASDCNBSA-N 1 3 348.451 0.345 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000633005186 440404397 /nfs/dbraw/zinc/40/43/97/440404397.db2.gz KWLKQFKHWDYPJJ-DOMZBBRYSA-N 1 3 348.451 0.203 20 0 ECADHO CCN1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000665030767 440407241 /nfs/dbraw/zinc/40/72/41/440407241.db2.gz NDRYSVRKBYSELX-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO CCN1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000665030767 440407244 /nfs/dbraw/zinc/40/72/44/440407244.db2.gz NDRYSVRKBYSELX-UONOGXRCSA-N 1 3 327.473 0.178 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000633029341 440412643 /nfs/dbraw/zinc/41/26/43/440412643.db2.gz SLAKBZOIHPFFNJ-KBPBESRZSA-N 1 3 332.404 0.138 20 0 ECADHO CN1CCC(CNC(=O)[C@@]2(C)CNCCO2)([NH+]2CCCCC2)CC1 ZINC000638140329 440461651 /nfs/dbraw/zinc/46/16/51/440461651.db2.gz YWDDZBBPAIXCHH-QGZVFWFLSA-N 1 3 338.496 0.431 20 0 ECADHO COC[C@]1(C(=O)NCC(C)(C)N2CCC(OC)CC2)CCC[NH2+]1 ZINC000649328247 440465205 /nfs/dbraw/zinc/46/52/05/440465205.db2.gz ILGAFETXYSPVDX-KRWDZBQOSA-N 1 3 327.469 0.761 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000659726939 440465711 /nfs/dbraw/zinc/46/57/11/440465711.db2.gz NERGLHOHVAEENR-QKPAOTATSA-N 1 3 336.480 0.705 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000659737760 440472807 /nfs/dbraw/zinc/47/28/07/440472807.db2.gz VJVWBLSMDVLBDQ-HNNXBMFYSA-N 1 3 348.491 0.864 20 0 ECADHO CC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659737838 440473027 /nfs/dbraw/zinc/47/30/27/440473027.db2.gz WAVZPZPXFJCZRW-CQSZACIVSA-N 1 3 336.480 0.849 20 0 ECADHO [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659736564 440473121 /nfs/dbraw/zinc/47/31/21/440473121.db2.gz NHLYTHNQCCGPEX-HNNXBMFYSA-N 1 3 336.480 0.707 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000638201500 440476701 /nfs/dbraw/zinc/47/67/01/440476701.db2.gz MGZVILPMMUJJRJ-UHFFFAOYSA-N 1 3 341.496 0.964 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000659741757 440479039 /nfs/dbraw/zinc/47/90/39/440479039.db2.gz NLTIPONJLDSGJX-OAHLLOKOSA-N 1 3 333.436 0.220 20 0 ECADHO C[C@H](CNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N(C)C1CC1 ZINC000638103023 440437905 /nfs/dbraw/zinc/43/79/05/440437905.db2.gz YMCRUQOJRJIWAQ-MWLCHTKSSA-N 1 3 342.394 0.963 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000659705846 440441737 /nfs/dbraw/zinc/44/17/37/440441737.db2.gz ADIDMPPWPQVUBP-CQSZACIVSA-N 1 3 332.448 0.491 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000659708340 440444847 /nfs/dbraw/zinc/44/48/47/440444847.db2.gz QHMXIQCSGNQGBK-ZIAGYGMSSA-N 1 3 326.485 0.713 20 0 ECADHO O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659710676 440444950 /nfs/dbraw/zinc/44/49/50/440444950.db2.gz UJTFHDKMVFRJJN-OAHLLOKOSA-N 1 3 336.480 0.625 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000659715618 440451390 /nfs/dbraw/zinc/45/13/90/440451390.db2.gz XORKYIVROOSYQH-GJZGRUSLSA-N 1 3 336.480 0.768 20 0 ECADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000638135801 440454640 /nfs/dbraw/zinc/45/46/40/440454640.db2.gz WFRIQDIXOKIUSA-WBVHZDCISA-N 1 3 327.469 0.759 20 0 ECADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638136038 440455699 /nfs/dbraw/zinc/45/56/99/440455699.db2.gz GEZHGGNHHVHPGZ-ZWKOTPCHSA-N 1 3 346.475 0.557 20 0 ECADHO C[C@@H](CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)C1)N(C)C ZINC000665548723 440491728 /nfs/dbraw/zinc/49/17/28/440491728.db2.gz BJMAGDAQMVGDPW-CAOSSQGBSA-N 1 3 340.512 0.925 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000659758148 440491984 /nfs/dbraw/zinc/49/19/84/440491984.db2.gz YHZYVZDPNGMZPY-GFCCVEGCSA-N 1 3 326.466 0.362 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000665763986 440528817 /nfs/dbraw/zinc/52/88/17/440528817.db2.gz QRDBDMOFLHZXRH-KKUMJFAQSA-N 1 3 326.485 0.861 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000665763986 440528822 /nfs/dbraw/zinc/52/88/22/440528822.db2.gz QRDBDMOFLHZXRH-KKUMJFAQSA-N 1 3 326.485 0.861 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000665763989 440529706 /nfs/dbraw/zinc/52/97/06/440529706.db2.gz QRDBDMOFLHZXRH-ZNMIVQPWSA-N 1 3 326.485 0.861 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000665763989 440529713 /nfs/dbraw/zinc/52/97/13/440529713.db2.gz QRDBDMOFLHZXRH-ZNMIVQPWSA-N 1 3 326.485 0.861 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351354 440482448 /nfs/dbraw/zinc/48/24/48/440482448.db2.gz PKJCQKJVGGNNKG-KBPBESRZSA-N 1 3 332.439 0.621 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000638698671 440605570 /nfs/dbraw/zinc/60/55/70/440605570.db2.gz LWJBLKOMGFLBSV-HZPDHXFCSA-N 1 3 325.501 0.925 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000638729966 440609607 /nfs/dbraw/zinc/60/96/07/440609607.db2.gz VJEGSMDQALIGNJ-KRWDZBQOSA-N 1 3 339.480 0.716 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)NCc2cccc3c2CC[NH2+]C3)CC1=O ZINC000638843801 440631379 /nfs/dbraw/zinc/63/13/79/440631379.db2.gz OJEBQMJIPUWDTE-MRXNPFEDSA-N 1 3 344.459 0.359 20 0 ECADHO CC(C)N(C)CC(=O)N1CC2CN(C(=O)C[N@H+](C)C(C)C)CC2C1 ZINC000650400223 440635487 /nfs/dbraw/zinc/63/54/87/440635487.db2.gz RVHBGTCIYJFLQW-UHFFFAOYSA-N 1 3 338.496 0.584 20 0 ECADHO CC(C)N(C)CC(=O)N1CC2CN(C(=O)C[N@@H+](C)C(C)C)CC2C1 ZINC000650400223 440635491 /nfs/dbraw/zinc/63/54/91/440635491.db2.gz RVHBGTCIYJFLQW-UHFFFAOYSA-N 1 3 338.496 0.584 20 0 ECADHO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561934 440643163 /nfs/dbraw/zinc/64/31/63/440643163.db2.gz JQJZTBYTTAAJOM-UXLLHSPISA-N 1 3 329.485 0.157 20 0 ECADHO NC[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)C(F)(F)F ZINC000655918199 440643358 /nfs/dbraw/zinc/64/33/58/440643358.db2.gz GZGDTDUOTNNUGU-QWRGUYRKSA-N 1 3 326.363 0.412 20 0 ECADHO NC[C@H](NC(=O)NCCCC[N@H+]1CCC[C@H]1CO)C(F)(F)F ZINC000655918199 440643363 /nfs/dbraw/zinc/64/33/63/440643363.db2.gz GZGDTDUOTNNUGU-QWRGUYRKSA-N 1 3 326.363 0.412 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634703735 440692694 /nfs/dbraw/zinc/69/26/94/440692694.db2.gz AIFZHJRBOCRIGR-SJLPKXTDSA-N 1 3 341.496 0.431 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)C[C@@H]21 ZINC000656028671 440700818 /nfs/dbraw/zinc/70/08/18/440700818.db2.gz OJYWSYFIQJIDIY-JJTUDDRGSA-N 1 3 348.491 0.705 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1=O ZINC000634768299 440706318 /nfs/dbraw/zinc/70/63/18/440706318.db2.gz DSVFQKMTVJULGC-NNFUDEMPSA-N 1 3 348.491 0.578 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1=O ZINC000634768297 440705471 /nfs/dbraw/zinc/70/54/71/440705471.db2.gz DSVFQKMTVJULGC-JEWRLFTDSA-N 1 3 348.491 0.578 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656302448 440756300 /nfs/dbraw/zinc/75/63/00/440756300.db2.gz JHOQWJVUUKYUMY-JYJNAYRXSA-N 1 3 338.496 0.966 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660828026 440738385 /nfs/dbraw/zinc/73/83/85/440738385.db2.gz UFPVMIBWCRPCOU-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660828026 440738389 /nfs/dbraw/zinc/73/83/89/440738389.db2.gz UFPVMIBWCRPCOU-MRXNPFEDSA-N 1 3 342.484 0.507 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNc2nc(N)nc3c2CCCC3)CC1 ZINC000645131384 440753949 /nfs/dbraw/zinc/75/39/49/440753949.db2.gz OXCKFEMPOYEDLU-CQSZACIVSA-N 1 3 332.496 1.045 20 0 ECADHO NC(=O)[C@H]1C[NH+](Cc2cccc(CN3CCCCC3)c2)C[C@@H]1C(N)=O ZINC000639844388 440803714 /nfs/dbraw/zinc/80/37/14/440803714.db2.gz INAJRJQLEVMPCS-IRXDYDNUSA-N 1 3 344.459 0.691 20 0 ECADHO NC(=O)[C@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C(N)=O ZINC000639844388 440803719 /nfs/dbraw/zinc/80/37/19/440803719.db2.gz INAJRJQLEVMPCS-IRXDYDNUSA-N 1 3 344.459 0.691 20 0 ECADHO C[C@H]1C(=O)N(C)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000645205000 440763401 /nfs/dbraw/zinc/76/34/01/440763401.db2.gz HFRIDJSPTFHHEC-ZDUSSCGKSA-N 1 3 337.468 0.375 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645219057 440765900 /nfs/dbraw/zinc/76/59/00/440765900.db2.gz JWHSCJJBOQHXBN-GJZGRUSLSA-N 1 3 339.484 0.622 20 0 ECADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645219057 440765906 /nfs/dbraw/zinc/76/59/06/440765906.db2.gz JWHSCJJBOQHXBN-GJZGRUSLSA-N 1 3 339.484 0.622 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000645259636 440770406 /nfs/dbraw/zinc/77/04/06/440770406.db2.gz CXBQLDFBCNVELI-ZIAGYGMSSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000645259636 440770409 /nfs/dbraw/zinc/77/04/09/440770409.db2.gz CXBQLDFBCNVELI-ZIAGYGMSSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000645269510 440773794 /nfs/dbraw/zinc/77/37/94/440773794.db2.gz PLGFSDJWMZWREN-KBPBESRZSA-N 1 3 341.500 0.724 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CN1C1CC1 ZINC000656333558 440775689 /nfs/dbraw/zinc/77/56/89/440775689.db2.gz IWDWHUQLOQLOGN-YQFWSFKMSA-N 1 3 348.491 0.861 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CN1C1CC1 ZINC000656333558 440775696 /nfs/dbraw/zinc/77/56/96/440775696.db2.gz IWDWHUQLOQLOGN-YQFWSFKMSA-N 1 3 348.491 0.861 20 0 ECADHO CO[C@]1(CO)CCCN(C/C=C\C[N@@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661385302 440846469 /nfs/dbraw/zinc/84/64/69/440846469.db2.gz MGOIJNCADIKPFH-GRFNRIFCSA-N 1 3 342.480 0.489 20 0 ECADHO CO[C@]1(CO)CCCN(C/C=C\C[N@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661385302 440846476 /nfs/dbraw/zinc/84/64/76/440846476.db2.gz MGOIJNCADIKPFH-GRFNRIFCSA-N 1 3 342.480 0.489 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000645471473 440816089 /nfs/dbraw/zinc/81/60/89/440816089.db2.gz SIVGGSUIQRONDN-NFOMZHRRSA-N 1 3 339.484 0.621 20 0 ECADHO COCCN(C)C[C@@H](O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000639880488 440825598 /nfs/dbraw/zinc/82/55/98/440825598.db2.gz PHFUBKDGXSAARX-DLBZAZTESA-N 1 3 343.512 0.501 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000635690639 440953195 /nfs/dbraw/zinc/95/31/95/440953195.db2.gz RVIVGWWVVMJXHW-MAUKXSAKSA-N 1 3 331.460 0.864 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000635690639 440953201 /nfs/dbraw/zinc/95/32/01/440953201.db2.gz RVIVGWWVVMJXHW-MAUKXSAKSA-N 1 3 331.460 0.864 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000635711284 440957105 /nfs/dbraw/zinc/95/71/05/440957105.db2.gz JCELWWXSCQYGCT-SJORKVTESA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000635711284 440957110 /nfs/dbraw/zinc/95/71/10/440957110.db2.gz JCELWWXSCQYGCT-SJORKVTESA-N 1 3 341.496 0.914 20 0 ECADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000635640934 440932275 /nfs/dbraw/zinc/93/22/75/440932275.db2.gz QOCHYACUMRTRGC-BBWFWOEESA-N 1 3 339.480 0.809 20 0 ECADHO O=C1[C@H]2CN(CCN3CC[NH2+]CC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000662297116 441006991 /nfs/dbraw/zinc/00/69/91/441006991.db2.gz AWVMQLIJPAGBSI-CALCHBBNSA-N 1 3 342.443 0.009 20 0 ECADHO C[C@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000652238486 441035310 /nfs/dbraw/zinc/03/53/10/441035310.db2.gz IQQAVVPOYFGION-HOTGVXAUSA-N 1 3 337.512 0.783 20 0 ECADHO [NH3+]CCn1cc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)nn1 ZINC000662426125 441035619 /nfs/dbraw/zinc/03/56/19/441035619.db2.gz MOKPUQVTCZFWOD-ZDUSSCGKSA-N 1 3 348.476 0.940 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CC2)C1 ZINC000662463032 441047904 /nfs/dbraw/zinc/04/79/04/441047904.db2.gz SUSSZLRAWMMVGY-GJZGRUSLSA-N 1 3 346.479 0.339 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662479262 441052363 /nfs/dbraw/zinc/05/23/63/441052363.db2.gz FLYFPRSUELHCEF-HNNXBMFYSA-N 1 3 328.420 0.583 20 0 ECADHO COCCOCC[N@H+](C)CCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000635969519 441055502 /nfs/dbraw/zinc/05/55/02/441055502.db2.gz BNTAPGFGRHGJCZ-MRXNPFEDSA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000635969519 441055508 /nfs/dbraw/zinc/05/55/08/441055508.db2.gz BNTAPGFGRHGJCZ-MRXNPFEDSA-N 1 3 341.496 0.914 20 0 ECADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345586 441057333 /nfs/dbraw/zinc/05/73/33/441057333.db2.gz GFIJREKJYMIDFG-JSRQGNBESA-N 1 3 339.480 0.888 20 0 ECADHO CC1(C)NC(=O)N(CCN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1=O ZINC000652361852 441059639 /nfs/dbraw/zinc/05/96/39/441059639.db2.gz REHOSLCTKSLWKT-MGPQQGTHSA-N 1 3 338.452 0.678 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000641279239 441086995 /nfs/dbraw/zinc/08/69/95/441086995.db2.gz ULWSJGOSDOSKMS-DLBZAZTESA-N 1 3 337.512 0.925 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCCN(C)C1=O ZINC000636161162 441089813 /nfs/dbraw/zinc/08/98/13/441089813.db2.gz JHPBXCIKGWDZJX-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCCN(C)C1=O ZINC000636161162 441089815 /nfs/dbraw/zinc/08/98/15/441089815.db2.gz JHPBXCIKGWDZJX-GJZGRUSLSA-N 1 3 326.485 0.633 20 0 ECADHO COCCN1CCC(NC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000171904773 320515776 /nfs/dbraw/zinc/51/57/76/320515776.db2.gz WGBFLBCCNNAITG-UHFFFAOYSA-N 1 3 342.484 0.101 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)NC1CCN(C)CC1)C(C)C ZINC000339633881 320991761 /nfs/dbraw/zinc/99/17/61/320991761.db2.gz GHYSORQLFRWPBN-UHFFFAOYSA-N 1 3 326.485 0.774 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000340254110 321029817 /nfs/dbraw/zinc/02/98/17/321029817.db2.gz RSSBESKBVSDMGP-HNNXBMFYSA-N 1 3 341.500 0.032 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000340265569 321032557 /nfs/dbraw/zinc/03/25/57/321032557.db2.gz IJIBYLUHJSDGFZ-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340348364 321036844 /nfs/dbraw/zinc/03/68/44/321036844.db2.gz SSLAYKILPNKHAO-IYBDPMFKSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340348364 321036845 /nfs/dbraw/zinc/03/68/45/321036845.db2.gz SSLAYKILPNKHAO-IYBDPMFKSA-N 1 3 340.512 0.881 20 0 ECADHO CN(CCNC(=O)NCc1ccncc1OCC[NH+](C)C)C1CC1 ZINC000341416498 321056371 /nfs/dbraw/zinc/05/63/71/321056371.db2.gz ZVFPIKISIRGEPV-UHFFFAOYSA-N 1 3 335.452 0.915 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N(C)C1CC1 ZINC000342062675 321074584 /nfs/dbraw/zinc/07/45/84/321074584.db2.gz MUFLOVQLDUIWLU-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000343159074 321125735 /nfs/dbraw/zinc/12/57/35/321125735.db2.gz VCKHHQOLQXIGNA-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000343159074 321125737 /nfs/dbraw/zinc/12/57/37/321125737.db2.gz VCKHHQOLQXIGNA-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCCCCC1 ZINC000346058441 321212439 /nfs/dbraw/zinc/21/24/39/321212439.db2.gz MUWQQRFURIHZRE-JKSUJKDBSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCCCCC1 ZINC000346058441 321212440 /nfs/dbraw/zinc/21/24/40/321212440.db2.gz MUWQQRFURIHZRE-JKSUJKDBSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346158026 321216614 /nfs/dbraw/zinc/21/66/14/321216614.db2.gz AYLJSQPQILUFLX-FPCVCCKLSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346158026 321216615 /nfs/dbraw/zinc/21/66/15/321216615.db2.gz AYLJSQPQILUFLX-FPCVCCKLSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CCN1C ZINC000347962625 321259799 /nfs/dbraw/zinc/25/97/99/321259799.db2.gz AMEMTMLJEAZFLI-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCN1C ZINC000347974934 321261184 /nfs/dbraw/zinc/26/11/84/321261184.db2.gz WPCIWLRZWNPMCT-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCN1C ZINC000347974934 321261186 /nfs/dbraw/zinc/26/11/86/321261186.db2.gz WPCIWLRZWNPMCT-OWCLPIDISA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000347977408 321262185 /nfs/dbraw/zinc/26/21/85/321262185.db2.gz OJEIULYEMCXGTR-OAGGEKHMSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000347977408 321262187 /nfs/dbraw/zinc/26/21/87/321262187.db2.gz OJEIULYEMCXGTR-OAGGEKHMSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000348416855 321274600 /nfs/dbraw/zinc/27/46/00/321274600.db2.gz PHFPSSCUINXDMM-OAHLLOKOSA-N 1 3 339.484 0.276 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353255709 321387110 /nfs/dbraw/zinc/38/71/10/321387110.db2.gz YBTQUNCVCDYVOA-AWEZNQCLSA-N 1 3 339.484 0.309 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353255709 321387112 /nfs/dbraw/zinc/38/71/12/321387112.db2.gz YBTQUNCVCDYVOA-AWEZNQCLSA-N 1 3 339.484 0.309 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000526133790 321999211 /nfs/dbraw/zinc/99/92/11/321999211.db2.gz PYVGVWXBJISEJZ-UHFFFAOYSA-N 1 3 339.415 0.882 20 0 ECADHO CCN1CCN(CCCCNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000543645390 322097627 /nfs/dbraw/zinc/09/76/27/322097627.db2.gz XSCRDUXUHVLWPW-UHFFFAOYSA-N 1 3 327.517 0.997 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCN(C)C3=O)CC2)CC1 ZINC000557670367 322208221 /nfs/dbraw/zinc/20/82/21/322208221.db2.gz VKABDTVZWCDYKP-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000558026682 322213500 /nfs/dbraw/zinc/21/35/00/322213500.db2.gz RSYVNWOLCSUDFC-VGWMRTNUSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000559781670 322224932 /nfs/dbraw/zinc/22/49/32/322224932.db2.gz PFNCVTIMTDLTBM-JKSUJKDBSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000561527987 322261658 /nfs/dbraw/zinc/26/16/58/322261658.db2.gz UMNVMOAVLGSEIZ-ZBFHGGJFSA-N 1 3 339.484 0.178 20 0 ECADHO CC[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000562692474 322281424 /nfs/dbraw/zinc/28/14/24/322281424.db2.gz RUCASHVDNNZEBY-OAHLLOKOSA-N 1 3 326.485 0.587 20 0 ECADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563089201 322296984 /nfs/dbraw/zinc/29/69/84/322296984.db2.gz XRTYXNBTZXKVDX-OIPACUDHSA-N 1 3 336.480 0.025 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC000563147544 322301120 /nfs/dbraw/zinc/30/11/20/322301120.db2.gz JAMNFAPMPOKHMK-HUUCEWRRSA-N 1 3 326.485 0.443 20 0 ECADHO C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)CC[NH2+]CC2 ZINC000564842582 322399112 /nfs/dbraw/zinc/39/91/12/322399112.db2.gz VQQXUESTYXVZKG-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000569205181 322646178 /nfs/dbraw/zinc/64/61/78/322646178.db2.gz OIWYQFXZCCLLQN-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CCN1CCC(NC(=O)CN2CCC(CO)([NH2+]C(C)C)CC2)CC1 ZINC000571892235 322735771 /nfs/dbraw/zinc/73/57/71/322735771.db2.gz DXEVXBOEWAHVQJ-UHFFFAOYSA-N 1 3 340.512 0.412 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574585694 322782060 /nfs/dbraw/zinc/78/20/60/322782060.db2.gz FIFDMPYUTWICKR-YJBOKZPZSA-N 1 3 336.480 0.435 20 0 ECADHO COc1ccc(CCNC[C@@]2(C)CC[NH2+]C2)cc1S(N)(=O)=O ZINC000576107219 322801748 /nfs/dbraw/zinc/80/17/48/322801748.db2.gz FEVJNIYIVAAGPY-OAHLLOKOSA-N 1 3 327.450 0.474 20 0 ECADHO O=C(COC1CNC1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000578194091 322857843 /nfs/dbraw/zinc/85/78/43/322857843.db2.gz JOSFJYSBJWRIQL-CYBMUJFWSA-N 1 3 336.461 0.602 20 0 ECADHO O=C(COC1CNC1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000578194092 322857854 /nfs/dbraw/zinc/85/78/54/322857854.db2.gz JOSFJYSBJWRIQL-ZDUSSCGKSA-N 1 3 336.461 0.602 20 0 ECADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CNCCO2)Cc2ccccc2C1 ZINC000578863968 322877638 /nfs/dbraw/zinc/87/76/38/322877638.db2.gz DWETZBHLZFLZRG-MRXNPFEDSA-N 1 3 332.448 0.373 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)nn1 ZINC000579007906 322883482 /nfs/dbraw/zinc/88/34/82/322883482.db2.gz FWYCUWXFPQLYNG-OJLVUWQFSA-N 1 3 332.452 0.821 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333734321 546063023 /nfs/dbraw/zinc/06/30/23/546063023.db2.gz WPMPXOYPYAMHQC-CABCVRRESA-N 1 3 325.501 0.842 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000343003045 546091934 /nfs/dbraw/zinc/09/19/34/546091934.db2.gz CHAAZGNRFNKAMW-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000515047054 546259304 /nfs/dbraw/zinc/25/93/04/546259304.db2.gz FAOHUTDSXKBNED-SFHVURJKSA-N 1 3 337.512 0.798 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000621834808 546570090 /nfs/dbraw/zinc/57/00/90/546570090.db2.gz XJGNEHFWJCGUGA-NSHDSACASA-N 1 3 340.399 0.558 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621838254 546570723 /nfs/dbraw/zinc/57/07/23/546570723.db2.gz AULAJDFPWPNNRL-DAYGRLMNSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](N3CCCC3)C1)C2 ZINC000622026905 546607988 /nfs/dbraw/zinc/60/79/88/546607988.db2.gz USXKQGZAAIYPTO-DAYGRLMNSA-N 1 3 334.464 0.413 20 0 ECADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCCN(C3CCCC3)CC1)C2 ZINC000622026349 546608544 /nfs/dbraw/zinc/60/85/44/546608544.db2.gz ITCHPCFDGQTCIO-HNAYVOBHSA-N 1 3 348.491 0.803 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622030443 546612133 /nfs/dbraw/zinc/61/21/33/546612133.db2.gz WLNMMOOJSHXBEG-BSXFFOKHSA-N 1 3 334.464 0.411 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622030446 546612650 /nfs/dbraw/zinc/61/26/50/546612650.db2.gz WLNMMOOJSHXBEG-ZXFNITATSA-N 1 3 334.464 0.411 20 0 ECADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625448078 547104051 /nfs/dbraw/zinc/10/40/51/547104051.db2.gz DLUMKZJUJJDGDU-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)[N@H+](C)C1CC1 ZINC000636663657 547389644 /nfs/dbraw/zinc/38/96/44/547389644.db2.gz WTOGGTSQTLAXGN-XJKSGUPXSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)[N@@H+](C)C1CC1 ZINC000636663657 547389645 /nfs/dbraw/zinc/38/96/45/547389645.db2.gz WTOGGTSQTLAXGN-XJKSGUPXSA-N 1 3 336.480 0.718 20 0 ECADHO CN1CCC(O)(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000667338766 547503527 /nfs/dbraw/zinc/50/35/27/547503527.db2.gz QHUYFDUSABSTTN-UHFFFAOYSA-N 1 3 338.496 0.864 20 0 ECADHO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN)cc1 ZINC000667370490 547506207 /nfs/dbraw/zinc/50/62/07/547506207.db2.gz PIUNHGCSNUQLRH-OAHLLOKOSA-N 1 3 348.447 0.905 20 0 ECADHO CCN(C(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCN(CC)C1 ZINC000668421269 547650884 /nfs/dbraw/zinc/65/08/84/547650884.db2.gz UNIFNBRRIGMCLK-MRXNPFEDSA-N 1 3 336.480 0.672 20 0 ECADHO C[NH+](C)C1(CNC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCCC1 ZINC000668613461 547701353 /nfs/dbraw/zinc/70/13/53/547701353.db2.gz RLWOBFYPARJVDG-HNNXBMFYSA-N 1 3 349.483 0.958 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000669561141 547906894 /nfs/dbraw/zinc/90/68/94/547906894.db2.gz NXJZTCNFSHPART-OIISXLGYSA-N 1 3 332.448 0.876 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000670545102 548030202 /nfs/dbraw/zinc/03/02/02/548030202.db2.gz UWDSHTOOJCXGED-OAHLLOKOSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)o1 ZINC000670655946 548036432 /nfs/dbraw/zinc/03/64/32/548036432.db2.gz CDSDACGSWQOTML-UHFFFAOYSA-N 1 3 344.843 0.501 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000671099684 548091107 /nfs/dbraw/zinc/09/11/07/548091107.db2.gz GHXJFCAATXZNOF-PMPSAXMXSA-N 1 3 334.464 0.426 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000671099684 548091112 /nfs/dbraw/zinc/09/11/12/548091112.db2.gz GHXJFCAATXZNOF-PMPSAXMXSA-N 1 3 334.464 0.426 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1Cc2ccccc21 ZINC000671323232 548117200 /nfs/dbraw/zinc/11/72/00/548117200.db2.gz OREPLPIQIAPQHX-MRXNPFEDSA-N 1 3 346.475 0.394 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000672098804 548268712 /nfs/dbraw/zinc/26/87/12/548268712.db2.gz GSJZNZNHDPRAKQ-OAHLLOKOSA-N 1 3 347.463 0.577 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000672098804 548268714 /nfs/dbraw/zinc/26/87/14/548268714.db2.gz GSJZNZNHDPRAKQ-OAHLLOKOSA-N 1 3 347.463 0.577 20 0 ECADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672304243 548300499 /nfs/dbraw/zinc/30/04/99/548300499.db2.gz NSAIJBRJDOFCBY-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672308447 548305264 /nfs/dbraw/zinc/30/52/64/548305264.db2.gz OFWYJMVRKCRLBU-MRXNPFEDSA-N 1 3 348.491 0.578 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000672690209 548371208 /nfs/dbraw/zinc/37/12/08/548371208.db2.gz PLQBHHQWSIXACN-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000672693818 548371740 /nfs/dbraw/zinc/37/17/40/548371740.db2.gz ZWXPYEWOYXLXJM-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000672693818 548371743 /nfs/dbraw/zinc/37/17/43/548371743.db2.gz ZWXPYEWOYXLXJM-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000685445058 549693570 /nfs/dbraw/zinc/69/35/70/549693570.db2.gz REJUSNHUDOLJBB-ZBFHGGJFSA-N 1 3 336.480 0.742 20 0 ECADHO CNC(=O)C1(NC/C=C/C[NH2+]C2(C(=O)NC)CCCC2)CCCC1 ZINC000733999899 578351413 /nfs/dbraw/zinc/35/14/13/578351413.db2.gz URDXZOYEBNSWGW-BQYQJAHWSA-N 1 3 336.480 0.839 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC(C)CC1)[NH+]1CCCCC1 ZINC000787665155 578812956 /nfs/dbraw/zinc/81/29/56/578812956.db2.gz VSIKLODYBRYAMF-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO C[NH+]1CCC(CN2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 ZINC000788023249 578825795 /nfs/dbraw/zinc/82/57/95/578825795.db2.gz JUHBATMXHQDBKO-UHFFFAOYSA-N 1 3 329.510 0.523 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)N1CCCCC1 ZINC000793700086 578935815 /nfs/dbraw/zinc/93/58/15/578935815.db2.gz LNHTUXCKPWYHBA-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)N1CCCCC1 ZINC000793700086 578935816 /nfs/dbraw/zinc/93/58/16/578935816.db2.gz LNHTUXCKPWYHBA-BZUAXINKSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000793705554 578936320 /nfs/dbraw/zinc/93/63/20/578936320.db2.gz FFXHLKOWADVLKV-YCPHGPKFSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000793708007 578936537 /nfs/dbraw/zinc/93/65/37/578936537.db2.gz HQBDXUFVTRRCCM-RRFJBIMHSA-N 1 3 336.480 0.718 20 0 ECADHO CC[C@@H](C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000772815714 579215180 /nfs/dbraw/zinc/21/51/80/579215180.db2.gz DEIBHSXRRWUEDI-ILXRZTDVSA-N 1 3 326.485 0.774 20 0 ECADHO CC[C@H](C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000772815715 579215204 /nfs/dbraw/zinc/21/52/04/579215204.db2.gz DEIBHSXRRWUEDI-KFWWJZLASA-N 1 3 326.485 0.774 20 0 ECADHO COCCN1CCC(NC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760474911 579511117 /nfs/dbraw/zinc/51/11/17/579511117.db2.gz FERSKXUQOOTYQC-UHFFFAOYSA-N 1 3 328.526 0.903 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743399406 579797661 /nfs/dbraw/zinc/79/76/61/579797661.db2.gz WBWYMVFJLSKCLC-AWEZNQCLSA-N 1 3 337.468 0.234 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743399406 579797663 /nfs/dbraw/zinc/79/76/63/579797663.db2.gz WBWYMVFJLSKCLC-AWEZNQCLSA-N 1 3 337.468 0.234 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CSC(=O)N3)CC2)CC1 ZINC000746185000 579832401 /nfs/dbraw/zinc/83/24/01/579832401.db2.gz LCILYMGBBYIZGB-CYBMUJFWSA-N 1 3 326.466 0.486 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])cc2)CC1 ZINC000841196732 588981921 /nfs/dbraw/zinc/98/19/21/588981921.db2.gz MEGQXYRFPGCVLD-CQSZACIVSA-N 1 3 347.463 0.478 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000841787704 589000721 /nfs/dbraw/zinc/00/07/21/589000721.db2.gz ACACCVKVDHKURH-GVDBMIGSSA-N 1 3 336.480 0.881 20 0 ECADHO Cc1cc([C@H](N)CC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc(Cl)n1 ZINC000841848857 589002854 /nfs/dbraw/zinc/00/28/54/589002854.db2.gz YFJNGEDBZAZOTC-QWHCGFSZSA-N 1 3 325.844 0.535 20 0 ECADHO C[C@@]1(CNC(=O)C(=O)NCC2C[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000842188083 589019086 /nfs/dbraw/zinc/01/90/86/589019086.db2.gz CGNNFDPQRYTRDG-IBGZPJMESA-N 1 3 344.459 0.350 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842228090 589022524 /nfs/dbraw/zinc/02/25/24/589022524.db2.gz BSHIGBPCXUXBOG-UHFFFAOYSA-N 1 3 332.448 0.358 20 0 ECADHO CS[C@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000807767543 586065999 /nfs/dbraw/zinc/06/59/99/586065999.db2.gz ZRBPSLQFBUWURU-KGLIPLIRSA-N 1 3 344.525 0.339 20 0 ECADHO CCN1CCN(CCCCNC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000891356095 586165274 /nfs/dbraw/zinc/16/52/74/586165274.db2.gz FGZLKVQQOYXGKK-INIZCTEOSA-N 1 3 325.501 0.927 20 0 ECADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000891536180 586174286 /nfs/dbraw/zinc/17/42/86/586174286.db2.gz OZRLDIMGESEUDT-STQMWFEESA-N 1 3 325.457 0.060 20 0 ECADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000892015376 586215538 /nfs/dbraw/zinc/21/55/38/586215538.db2.gz ARCBDCOVVYXTQA-CQSZACIVSA-N 1 3 337.468 0.254 20 0 ECADHO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CCN1c1ccncc1 ZINC000892169402 586226791 /nfs/dbraw/zinc/22/67/91/586226791.db2.gz YXINDEWXHCTCEW-GDBMZVCRSA-N 1 3 333.436 0.680 20 0 ECADHO CC1(C)CC[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)[NH2+]C1 ZINC000892383851 586261601 /nfs/dbraw/zinc/26/16/01/586261601.db2.gz NDUJLBFFRVENHL-HUUCEWRRSA-N 1 3 326.485 0.911 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](O)[C@@H](F)C3)CC2)CC1 ZINC000892521860 586271432 /nfs/dbraw/zinc/27/14/32/586271432.db2.gz HWCOHSVAIYUVLC-JKSUJKDBSA-N 1 3 342.459 0.659 20 0 ECADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000892530699 586271846 /nfs/dbraw/zinc/27/18/46/586271846.db2.gz VFNLYROWORGNIU-SJORKVTESA-N 1 3 332.448 0.938 20 0 ECADHO CN(C)[C@@]1(CNC(=O)C2C[NH+](C3CCOCC3)C2)CCSC1 ZINC000896837785 586273161 /nfs/dbraw/zinc/27/31/61/586273161.db2.gz JRHLPWUUXYZUKD-MRXNPFEDSA-N 1 3 327.494 0.651 20 0 ECADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000897397712 586309820 /nfs/dbraw/zinc/30/98/20/586309820.db2.gz HQICOHHBRBQSAU-AEFFLSMTSA-N 1 3 335.448 0.917 20 0 ECADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000897397712 586309822 /nfs/dbraw/zinc/30/98/22/586309822.db2.gz HQICOHHBRBQSAU-AEFFLSMTSA-N 1 3 335.448 0.917 20 0 ECADHO C[C@H]1CCCN1CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000897482348 586331431 /nfs/dbraw/zinc/33/14/31/586331431.db2.gz QJMJBNPCKWYPID-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO C[C@H]1CCCN1CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000897482348 586331434 /nfs/dbraw/zinc/33/14/34/586331434.db2.gz QJMJBNPCKWYPID-IRXDYDNUSA-N 1 3 337.512 0.892 20 0 ECADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000897558360 586344670 /nfs/dbraw/zinc/34/46/70/586344670.db2.gz YYPQBPIZQWDBDE-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000897558360 586344672 /nfs/dbraw/zinc/34/46/72/586344672.db2.gz YYPQBPIZQWDBDE-CVEARBPZSA-N 1 3 326.485 0.864 20 0 ECADHO CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CCCN(C)C1 ZINC000893864534 586364448 /nfs/dbraw/zinc/36/44/48/586364448.db2.gz BORSSVMNRWMTLH-MRXNPFEDSA-N 1 3 325.501 0.748 20 0 ECADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894925828 586419648 /nfs/dbraw/zinc/41/96/48/586419648.db2.gz OUSQXXNRHFRRNQ-HRCADAONSA-N 1 3 326.485 0.956 20 0 ECADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894925828 586419650 /nfs/dbraw/zinc/41/96/50/586419650.db2.gz OUSQXXNRHFRRNQ-HRCADAONSA-N 1 3 326.485 0.956 20 0 ECADHO C[C@H]1[C@H](C)N(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)[C@H]1CCCN1C ZINC000898987572 586460712 /nfs/dbraw/zinc/46/07/12/586460712.db2.gz OTTXENQNODMMMQ-CAOSSQGBSA-N 1 3 336.480 0.623 20 0 ECADHO C[C@H]1[C@H](C)N(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)[C@H]1CCCN1C ZINC000898987572 586460714 /nfs/dbraw/zinc/46/07/14/586460714.db2.gz OTTXENQNODMMMQ-CAOSSQGBSA-N 1 3 336.480 0.623 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000867324103 589057310 /nfs/dbraw/zinc/05/73/10/589057310.db2.gz PXSXESQOSLVLPB-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000867324103 589057312 /nfs/dbraw/zinc/05/73/12/589057312.db2.gz PXSXESQOSLVLPB-INIZCTEOSA-N 1 3 338.496 0.920 20 0 ECADHO CN1CCC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000900446637 586632005 /nfs/dbraw/zinc/63/20/05/586632005.db2.gz RETLWURCUUZBCK-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cn(C)c(=O)n1C ZINC000900481107 586635275 /nfs/dbraw/zinc/63/52/75/586635275.db2.gz MQQLBDPXNGLUCV-CQSZACIVSA-N 1 3 337.468 0.212 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cn(C)c(=O)n1C ZINC000900481107 586635276 /nfs/dbraw/zinc/63/52/76/586635276.db2.gz MQQLBDPXNGLUCV-CQSZACIVSA-N 1 3 337.468 0.212 20 0 ECADHO CN(C)CCn1nccc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000900589513 586644538 /nfs/dbraw/zinc/64/45/38/586644538.db2.gz XLTYZTSBAFONTM-UHFFFAOYSA-N 1 3 349.479 0.820 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000900666066 586653106 /nfs/dbraw/zinc/65/31/06/586653106.db2.gz QANOFZSXLWTBSO-KKUMJFAQSA-N 1 3 328.501 0.924 20 0 ECADHO CC[C@@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000900666066 586653107 /nfs/dbraw/zinc/65/31/07/586653107.db2.gz QANOFZSXLWTBSO-KKUMJFAQSA-N 1 3 328.501 0.924 20 0 ECADHO CCN1CCN(CCCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900688429 586656600 /nfs/dbraw/zinc/65/66/00/586656600.db2.gz IDSOHEUUWNNJDM-GOSISDBHSA-N 1 3 340.512 0.367 20 0 ECADHO CCN1CCN(CCCCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900688429 586656601 /nfs/dbraw/zinc/65/66/01/586656601.db2.gz IDSOHEUUWNNJDM-GOSISDBHSA-N 1 3 340.512 0.367 20 0 ECADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C12CC[NH+](CC1)C2 ZINC000901068982 586686809 /nfs/dbraw/zinc/68/68/09/586686809.db2.gz WMJMPFWLRPJZHP-QGZVFWFLSA-N 1 3 329.444 0.618 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNC(=O)C[C@@]2(O)CCCN(C)C2)CC1 ZINC000901058200 586688566 /nfs/dbraw/zinc/68/85/66/586688566.db2.gz XVDJOLZINITNKG-KRWDZBQOSA-N 1 3 327.469 0.185 20 0 ECADHO CN(C)CCn1nccc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000901079024 586690261 /nfs/dbraw/zinc/69/02/61/586690261.db2.gz UIZANAFJFCTDCF-INIZCTEOSA-N 1 3 349.479 0.772 20 0 ECADHO CCN(CCNC(=O)CN(C)C1CCC1)C(=O)C[N@H+](C)C1CCC1 ZINC000907575923 586738866 /nfs/dbraw/zinc/73/88/66/586738866.db2.gz WIOKKILJWQCCTO-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)CN(C)C1CCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000907575923 586738868 /nfs/dbraw/zinc/73/88/68/586738868.db2.gz WIOKKILJWQCCTO-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)C[N@H+](C)C1CCC1)C(=O)CN(C)C1CCC1 ZINC000907575923 586738870 /nfs/dbraw/zinc/73/88/70/586738870.db2.gz WIOKKILJWQCCTO-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CN(C)C1CCC1 ZINC000907575923 586738872 /nfs/dbraw/zinc/73/88/72/586738872.db2.gz WIOKKILJWQCCTO-UHFFFAOYSA-N 1 3 338.496 0.920 20 0 ECADHO CCOC(=O)N1CCN(C(=O)CN(C)C2CCC([NH3+])CC2)CC1 ZINC000843355443 589063361 /nfs/dbraw/zinc/06/33/61/589063361.db2.gz OWGKNONAVYMYFJ-UHFFFAOYSA-N 1 3 326.441 0.489 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NCc1ccccn1 ZINC000903508505 586780499 /nfs/dbraw/zinc/78/04/99/586780499.db2.gz JFJMWRAVWGOPAP-HDICACEKSA-N 1 3 343.475 0.598 20 0 ECADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NCc1ccccn1 ZINC000903508505 586780500 /nfs/dbraw/zinc/78/05/00/586780500.db2.gz JFJMWRAVWGOPAP-HDICACEKSA-N 1 3 343.475 0.598 20 0 ECADHO CC1(C)NC(=O)N(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)C1=O ZINC000903511181 586781115 /nfs/dbraw/zinc/78/11/15/586781115.db2.gz WJJXWYOWYKMTLU-GASCZTMLSA-N 1 3 349.479 0.217 20 0 ECADHO CC1(C)NC(=O)N(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)C1=O ZINC000903511181 586781116 /nfs/dbraw/zinc/78/11/16/586781116.db2.gz WJJXWYOWYKMTLU-GASCZTMLSA-N 1 3 349.479 0.217 20 0 ECADHO CC1(C)NC(=O)N(CCN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1=O ZINC000903511181 586781117 /nfs/dbraw/zinc/78/11/17/586781117.db2.gz WJJXWYOWYKMTLU-GASCZTMLSA-N 1 3 349.479 0.217 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903561740 586785895 /nfs/dbraw/zinc/78/58/95/586785895.db2.gz WTPLDPLFPKNFBH-BFHYXJOUSA-N 1 3 341.481 0.233 20 0 ECADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)CC1 ZINC000903720472 586801640 /nfs/dbraw/zinc/80/16/40/586801640.db2.gz NEZSXHDPZKMUCP-OAHLLOKOSA-N 1 3 338.496 0.763 20 0 ECADHO CCOC(=O)[C@@H]1C[C@H]1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000903744849 586807817 /nfs/dbraw/zinc/80/78/17/586807817.db2.gz XXLAZMCNQZIRTA-QKPAOTATSA-N 1 3 337.464 0.766 20 0 ECADHO COC(=O)c1cn(C2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903761079 586808289 /nfs/dbraw/zinc/80/82/89/586808289.db2.gz ZOCIDWKJNWCROA-RHSMWYFYSA-N 1 3 349.435 0.470 20 0 ECADHO CN(C)[S@](C)(=O)=NCC1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903870798 586821356 /nfs/dbraw/zinc/82/13/56/586821356.db2.gz JQEHSYWHKKFUDO-IQMFZBJNSA-N 1 3 344.525 0.651 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2CC[C@]21CN ZINC000904971873 586851817 /nfs/dbraw/zinc/85/18/17/586851817.db2.gz KBGFPQFUJCIETE-KSSFIOAISA-N 1 3 338.496 0.763 20 0 ECADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32CN)CC1 ZINC000905005495 586858078 /nfs/dbraw/zinc/85/80/78/586858078.db2.gz FEFASFCHPFQHSN-MAUKXSAKSA-N 1 3 336.480 0.517 20 0 ECADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32CN)CC1 ZINC000905010273 586860800 /nfs/dbraw/zinc/86/08/00/586860800.db2.gz VLSRIAFSGLIJMG-KXBFYZLASA-N 1 3 348.491 0.803 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@]34CC[NH2+]C4)C2)C1 ZINC000905010150 586860933 /nfs/dbraw/zinc/86/09/33/586860933.db2.gz FQMXZXGYEHSTHM-QZTJIDSGSA-N 1 3 334.464 0.285 20 0 ECADHO CN1CC[N@H+](C)CC(C(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000906745671 586974036 /nfs/dbraw/zinc/97/40/36/586974036.db2.gz QOARRKBNFPVOJU-UHFFFAOYSA-N 1 3 338.496 0.051 20 0 ECADHO CN1CC[N@@H+](C)CC(C(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000906745671 586974038 /nfs/dbraw/zinc/97/40/38/586974038.db2.gz QOARRKBNFPVOJU-UHFFFAOYSA-N 1 3 338.496 0.051 20 0 ECADHO CN1CCN(C)CC(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000907089763 587014840 /nfs/dbraw/zinc/01/48/40/587014840.db2.gz GKJVZQKTZRIROH-GVDBMIGSSA-N 1 3 338.496 0.190 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817966219 587393908 /nfs/dbraw/zinc/39/39/08/587393908.db2.gz IZOCYKLFTZFAHN-VKJFTORMSA-N 1 3 334.464 0.426 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000817990158 587394970 /nfs/dbraw/zinc/39/49/70/587394970.db2.gz YHEUWKIGBRRWEP-KRWDZBQOSA-N 1 3 346.475 0.917 20 0 ECADHO CON(C)C(=O)CC[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000818988143 587463518 /nfs/dbraw/zinc/46/35/18/587463518.db2.gz FACKEKXYWKJMIJ-UHFFFAOYSA-N 1 3 335.452 0.593 20 0 ECADHO CCN1C[C@@H](CN2CCC(C(=O)NCC[NH+](C)C)CC2)OC1=O ZINC000846822837 589225951 /nfs/dbraw/zinc/22/59/51/589225951.db2.gz QDZVYEQAROWTBA-CQSZACIVSA-N 1 3 326.441 0.217 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2nonc21 ZINC000847506830 589252828 /nfs/dbraw/zinc/25/28/28/589252828.db2.gz HCAKBAGGSYVHCC-UHFFFAOYSA-N 1 3 348.407 0.113 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000848615642 589304100 /nfs/dbraw/zinc/30/41/00/589304100.db2.gz BZRMRKOKXQFGFA-JTDSTZFVSA-N 1 3 348.491 0.722 20 0 ECADHO CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000849111594 589320673 /nfs/dbraw/zinc/32/06/73/589320673.db2.gz WICSEZJJDLKDDG-STQMWFEESA-N 1 3 341.456 0.488 20 0 ECADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCNc2cc[nH+]cc2)cn1 ZINC000849611229 589343626 /nfs/dbraw/zinc/34/36/26/589343626.db2.gz VGUQHRSXNZNCQY-SJORKVTESA-N 1 3 342.447 0.501 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000850853135 589387720 /nfs/dbraw/zinc/38/77/20/589387720.db2.gz QYJNVMNKQACXKC-AWEZNQCLSA-N 1 3 334.420 0.563 20 0 ECADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000851685801 589413902 /nfs/dbraw/zinc/41/39/02/589413902.db2.gz GUYZMHMWCULMFR-LJQANCHMSA-N 1 3 346.475 0.822 20 0 ECADHO O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852858060 589518892 /nfs/dbraw/zinc/51/88/92/589518892.db2.gz ONONJWUMLKAXSK-DZGCQCFKSA-N 1 3 347.463 0.860 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852866626 589519894 /nfs/dbraw/zinc/51/98/94/589519894.db2.gz ILKNZVRYKWSXSX-UHFFFAOYSA-N 1 3 344.459 0.904 20 0 ECADHO O=C(CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Nc1ccccc1 ZINC000866709406 589760892 /nfs/dbraw/zinc/76/08/92/589760892.db2.gz SGZKGCAWRGQSFQ-OAGGEKHMSA-N 1 3 344.415 0.882 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867623273 589817069 /nfs/dbraw/zinc/81/70/69/589817069.db2.gz DDDWNQCZFJETGU-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867623273 589817073 /nfs/dbraw/zinc/81/70/73/589817073.db2.gz DDDWNQCZFJETGU-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867741530 589833696 /nfs/dbraw/zinc/83/36/96/589833696.db2.gz HLLDNISUWGPHMM-OAHLLOKOSA-N 1 3 338.496 0.918 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)[C@@H]2C1 ZINC000867800350 589845649 /nfs/dbraw/zinc/84/56/49/589845649.db2.gz XVATZQGRWJRFGS-CAOSSQGBSA-N 1 3 334.464 0.092 20 0 ECADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)[C@@H]2C1 ZINC000867800350 589845651 /nfs/dbraw/zinc/84/56/51/589845651.db2.gz XVATZQGRWJRFGS-CAOSSQGBSA-N 1 3 334.464 0.092 20 0 ECADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000868304978 589890724 /nfs/dbraw/zinc/89/07/24/589890724.db2.gz JRCYZNXASMOCQA-JOCQHMNTSA-N 1 3 334.420 0.419 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)CC[C@H]21 ZINC000868310190 589891342 /nfs/dbraw/zinc/89/13/42/589891342.db2.gz RYJRUHOQDNIRAR-WMLDXEAASA-N 1 3 342.443 0.823 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)CC[C@H]21 ZINC000868310190 589891344 /nfs/dbraw/zinc/89/13/44/589891344.db2.gz RYJRUHOQDNIRAR-WMLDXEAASA-N 1 3 342.443 0.823 20 0 ECADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000868309761 589891400 /nfs/dbraw/zinc/89/14/00/589891400.db2.gz MFYOWYDSUMKURU-BBRMVZONSA-N 1 3 328.416 0.781 20 0 ECADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000868309761 589891402 /nfs/dbraw/zinc/89/14/02/589891402.db2.gz MFYOWYDSUMKURU-BBRMVZONSA-N 1 3 328.416 0.781 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[C@H](N2CCCCC2)C1 ZINC000868417708 589904350 /nfs/dbraw/zinc/90/43/50/589904350.db2.gz GSKKGOOYSUVEFR-JYJNAYRXSA-N 1 3 334.464 0.426 20 0 ECADHO CN(Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000872217796 590105482 /nfs/dbraw/zinc/10/54/82/590105482.db2.gz GCZOMDGMSPYZNG-ZWKOTPCHSA-N 1 3 335.492 0.914 20 0 ECADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(OC[C@H]3CCCO3)CC2)C1 ZINC000873219486 590187064 /nfs/dbraw/zinc/18/70/64/590187064.db2.gz INTGLICBQMDJHD-NVXWUHKLSA-N 1 3 339.480 0.844 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875220667 590283261 /nfs/dbraw/zinc/28/32/61/590283261.db2.gz SHRWNACKZIIHFI-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000875220667 590283263 /nfs/dbraw/zinc/28/32/63/590283263.db2.gz SHRWNACKZIIHFI-OAGGEKHMSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876962033 590430302 /nfs/dbraw/zinc/43/03/02/590430302.db2.gz YRAQFGYPKMWHIK-IKGGRYGDSA-N 1 3 335.423 0.817 20 0 ECADHO CN(C)CCNC(=O)c1ccc(NC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000877009483 590433188 /nfs/dbraw/zinc/43/31/88/590433188.db2.gz NYMWFMMJLHELGH-INIZCTEOSA-N 1 3 348.447 0.685 20 0 ECADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000877339969 590458949 /nfs/dbraw/zinc/45/89/49/590458949.db2.gz DNSYSBQDGGEKGP-HOTGVXAUSA-N 1 3 340.431 0.647 20 0 ECADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000877346492 590459380 /nfs/dbraw/zinc/45/93/80/590459380.db2.gz CTROKYXAOABJKD-OAHLLOKOSA-N 1 3 340.431 0.647 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1=O ZINC000877393474 590463043 /nfs/dbraw/zinc/46/30/43/590463043.db2.gz YEDOMHNSKXEXOD-YKTARERQSA-N 1 3 348.491 0.720 20 0 ECADHO C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3(C)OCCO3)C2)CC1 ZINC000878407698 590519891 /nfs/dbraw/zinc/51/98/91/590519891.db2.gz YJJYDVRDIDERFA-CQSZACIVSA-N 1 3 325.453 0.672 20 0 ECADHO CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865047 590548164 /nfs/dbraw/zinc/54/81/64/590548164.db2.gz DHXMATFKZIGDNN-KGLIPLIRSA-N 1 3 338.385 0.959 20 0 ECADHO COCCN(CCCS(=O)(=O)N(C)C)CC1CC[NH+](C)CC1 ZINC000879124998 590565463 /nfs/dbraw/zinc/56/54/63/590565463.db2.gz LSAAVHCVXFWHJL-UHFFFAOYSA-N 1 3 335.514 0.558 20 0 ECADHO COCC[N@H+](CCCS(=O)(=O)N(C)C)CC1CCN(C)CC1 ZINC000879124998 590565465 /nfs/dbraw/zinc/56/54/65/590565465.db2.gz LSAAVHCVXFWHJL-UHFFFAOYSA-N 1 3 335.514 0.558 20 0 ECADHO COCC[N@@H+](CCCS(=O)(=O)N(C)C)CC1CCN(C)CC1 ZINC000879124998 590565467 /nfs/dbraw/zinc/56/54/67/590565467.db2.gz LSAAVHCVXFWHJL-UHFFFAOYSA-N 1 3 335.514 0.558 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCC1(C)C ZINC000884875901 590638734 /nfs/dbraw/zinc/63/87/34/590638734.db2.gz OULJRHBPVWNYEJ-CQSZACIVSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1ccncc1 ZINC000883642785 590639144 /nfs/dbraw/zinc/63/91/44/590639144.db2.gz VDBQJUURSSTZTG-SOUVJXGZSA-N 1 3 343.431 0.082 20 0 ECADHO O=C(Nc1cnc2c(c1)CNCC2)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884244081 590787841 /nfs/dbraw/zinc/78/78/41/590787841.db2.gz XCYXXNBVPDTLGD-UHFFFAOYSA-N 1 3 338.415 0.784 20 0 ECADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)[C@H](CN)OC)cc1F ZINC000884405664 590820780 /nfs/dbraw/zinc/82/07/80/590820780.db2.gz ZKERJJJFUZBXEX-KYOSRNDESA-N 1 3 325.384 0.370 20 0 ECADHO CC(=O)[C@](C)(O)CN(C)[C@H]1CC[C@H]([N@H+](C)C[C@@](C)(O)C(C)=O)CC1 ZINC000886389741 590837726 /nfs/dbraw/zinc/83/77/26/590837726.db2.gz WFDMTALFDNMBGD-BRSBDYLESA-N 1 3 342.480 0.841 20 0 ECADHO CC(=O)[C@](C)(O)CN(C)[C@H]1CC[C@H]([N@@H+](C)C[C@@](C)(O)C(C)=O)CC1 ZINC000886389741 590837728 /nfs/dbraw/zinc/83/77/28/590837728.db2.gz WFDMTALFDNMBGD-BRSBDYLESA-N 1 3 342.480 0.841 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CCC(C)CC1 ZINC000884503021 590845444 /nfs/dbraw/zinc/84/54/44/590845444.db2.gz ZHBLJNWBZILPJD-BZUAXINKSA-N 1 3 336.480 0.576 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884546262 590853476 /nfs/dbraw/zinc/85/34/76/590853476.db2.gz FPJMJECKTPUCCC-SFHVURJKSA-N 1 3 338.496 0.827 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884545234 590853505 /nfs/dbraw/zinc/85/35/05/590853505.db2.gz BOCRGHPHLVOKGP-CQSZACIVSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)[N@H+](C)C1CC1 ZINC000884617903 590873526 /nfs/dbraw/zinc/87/35/26/590873526.db2.gz UPTMVRJQBQCDNQ-CJNGLKHVSA-N 1 3 344.459 0.416 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)[N@@H+](C)C1CC1 ZINC000884617903 590873528 /nfs/dbraw/zinc/87/35/28/590873528.db2.gz UPTMVRJQBQCDNQ-CJNGLKHVSA-N 1 3 344.459 0.416 20 0 ECADHO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCNCCC12CCC2 ZINC000884626581 590875904 /nfs/dbraw/zinc/87/59/04/590875904.db2.gz PDPZTYXKMQNWLQ-UHFFFAOYSA-N 1 3 348.491 0.722 20 0 ECADHO CN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1(C[NH3+])CCCCC1 ZINC000884631475 590878502 /nfs/dbraw/zinc/87/85/02/590878502.db2.gz LEVLXUBOLXCBGI-HNNXBMFYSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)CC[NH2+]1 ZINC000884718660 590907854 /nfs/dbraw/zinc/90/78/54/590907854.db2.gz LXDBXOWWXLCJBA-ILXRZTDVSA-N 1 3 345.447 0.375 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884791006 590924451 /nfs/dbraw/zinc/92/44/51/590924451.db2.gz PXXRLQKQWWXHKF-GDBMZVCRSA-N 1 3 347.463 0.608 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C[NH2+]1 ZINC000884818207 590928315 /nfs/dbraw/zinc/92/83/15/590928315.db2.gz YHFQZTOGHOKYBD-ILXRZTDVSA-N 1 3 345.447 0.375 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C[NH2+]1 ZINC000884818323 590929166 /nfs/dbraw/zinc/92/91/66/590929166.db2.gz ZOTULOUTTROAQD-RBSFLKMASA-N 1 3 345.447 0.375 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887081340 590939694 /nfs/dbraw/zinc/93/96/94/590939694.db2.gz QOLYHQVBNIJKIP-GOSISDBHSA-N 1 3 336.480 0.533 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000887091559 590942221 /nfs/dbraw/zinc/94/22/21/590942221.db2.gz NZQKLRXDMDMAQY-KSSFIOAISA-N 1 3 345.447 0.316 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000887091264 590942337 /nfs/dbraw/zinc/94/23/37/590942337.db2.gz GDRDSYNQPPPVTJ-AWEZNQCLSA-N 1 3 333.436 0.187 20 0 ECADHO C[NH+](C)CCn1nccc1C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889750599 591079198 /nfs/dbraw/zinc/07/91/98/591079198.db2.gz PUVYIBULJDYGTB-LSDHHAIUSA-N 1 3 335.452 0.116 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cnc1C ZINC000890150214 591136868 /nfs/dbraw/zinc/13/68/68/591136868.db2.gz XWGMQFWQMFZHEF-UHFFFAOYSA-N 1 3 335.452 0.589 20 0 ECADHO C[NH+](C)[C@]1(CN2C(=O)N[C@@H](CN3CCCCC3)C2=O)CCSC1 ZINC000924484338 611407537 /nfs/dbraw/zinc/40/75/37/611407537.db2.gz WXUYKOWUVBSODL-BBRMVZONSA-N 1 3 340.493 0.830 20 0 ECADHO CN(CCCN(C)CC(=O)N1CCOC(C)(C)C1)CC[NH+](C)C ZINC000930499112 611436386 /nfs/dbraw/zinc/43/63/86/611436386.db2.gz FXYSGYJBJULDAE-UHFFFAOYSA-N 1 3 328.501 0.439 20 0 ECADHO O[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)CN1CCc2ccccc2C1 ZINC000925606412 611491492 /nfs/dbraw/zinc/49/14/92/611491492.db2.gz JLBLMAZTEGRELX-AXGBLAMUSA-N 1 3 327.472 0.992 20 0 ECADHO CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817307 611503356 /nfs/dbraw/zinc/50/33/56/611503356.db2.gz OMJDJXDAAAXMIP-ROUUACIJSA-N 1 3 346.475 0.475 20 0 ECADHO C[NH+](C)CC[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1cccnc1 ZINC000925916006 611505546 /nfs/dbraw/zinc/50/55/46/611505546.db2.gz RXTSPAUUFZAAFO-BBWFWOEESA-N 1 3 347.463 0.535 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926294235 611532190 /nfs/dbraw/zinc/53/21/90/611532190.db2.gz SOWVQIPHMJEYSC-CABCVRRESA-N 1 3 326.485 0.476 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC[C@@H]1C[NH3+] ZINC000926334758 611536593 /nfs/dbraw/zinc/53/65/93/611536593.db2.gz UGDVAFIVBIYBLR-OAGGEKHMSA-N 1 3 336.480 0.517 20 0 ECADHO O=C(C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)N1CC[C@@H](N2CCCCC2)C1 ZINC000926330504 611536087 /nfs/dbraw/zinc/53/60/87/611536087.db2.gz AABIEMMPIRDHTO-VQIMIIECSA-N 1 3 348.491 0.818 20 0 ECADHO C[N@H+](CCO)CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000925008342 608697849 /nfs/dbraw/zinc/69/78/49/608697849.db2.gz ZZPFNBPRMWLGKP-UHFFFAOYSA-N 1 3 334.464 0.239 20 0 ECADHO C[N@@H+](CCO)CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000925008342 608697852 /nfs/dbraw/zinc/69/78/52/608697852.db2.gz ZZPFNBPRMWLGKP-UHFFFAOYSA-N 1 3 334.464 0.239 20 0 ECADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000936904116 608722227 /nfs/dbraw/zinc/72/22/27/608722227.db2.gz FCWUCDSZRNWQDR-JKSUJKDBSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(CCC(N)=O)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000928820277 608951665 /nfs/dbraw/zinc/95/16/65/608951665.db2.gz ZOIIQUSPSGREEI-UHFFFAOYSA-N 1 3 338.496 0.907 20 0 ECADHO CCN1CCN(CC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000928097022 611673780 /nfs/dbraw/zinc/67/37/80/611673780.db2.gz ULCNAMVUZFQIOV-CABCVRRESA-N 1 3 326.510 0.320 20 0 ECADHO CCN1CCN(CC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000928097022 611673782 /nfs/dbraw/zinc/67/37/82/611673782.db2.gz ULCNAMVUZFQIOV-CABCVRRESA-N 1 3 326.510 0.320 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000947090146 611677810 /nfs/dbraw/zinc/67/78/10/611677810.db2.gz SUVXGBFEHWNXCX-ZBFHGGJFSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000947090146 611677812 /nfs/dbraw/zinc/67/78/12/611677812.db2.gz SUVXGBFEHWNXCX-ZBFHGGJFSA-N 1 3 338.496 0.632 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000936280355 609049992 /nfs/dbraw/zinc/04/99/92/609049992.db2.gz PLDTZNLHBAMVIW-VHDGCEQUSA-N 1 3 333.436 0.400 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000936280355 609049993 /nfs/dbraw/zinc/04/99/93/609049993.db2.gz PLDTZNLHBAMVIW-VHDGCEQUSA-N 1 3 333.436 0.400 20 0 ECADHO CCO[C@H](CNC(=O)NC[C@@H](C)CN1CCN(C)CC1)C[NH+](C)C ZINC000920453356 609682740 /nfs/dbraw/zinc/68/27/40/609682740.db2.gz ZFESYVGIFSKALP-HZPDHXFCSA-N 1 3 343.516 0.136 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](C)CN1CCN(C)CC1 ZINC000920993309 609695764 /nfs/dbraw/zinc/69/57/64/609695764.db2.gz IFQAYGPCSUOOEK-CVEARBPZSA-N 1 3 341.569 0.818 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H](C)CN1CCN(C)CC1 ZINC000920993309 609695767 /nfs/dbraw/zinc/69/57/67/609695767.db2.gz IFQAYGPCSUOOEK-CVEARBPZSA-N 1 3 341.569 0.818 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000938318101 609731995 /nfs/dbraw/zinc/73/19/95/609731995.db2.gz BBWGJARIBVUTDV-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000938318101 609731996 /nfs/dbraw/zinc/73/19/96/609731996.db2.gz BBWGJARIBVUTDV-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)Cc1ccccc1 ZINC000910961192 609783433 /nfs/dbraw/zinc/78/34/33/609783433.db2.gz BCJVDGAGGQLNQQ-HOTGVXAUSA-N 1 3 346.475 0.471 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911055758 609795792 /nfs/dbraw/zinc/79/57/92/609795792.db2.gz PEOZQOFDRIBGSX-BZUAXINKSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)N1CCC(C)CC1 ZINC000911093792 609803094 /nfs/dbraw/zinc/80/30/94/609803094.db2.gz ZVPAVKLDBWBSNS-OWCLPIDISA-N 1 3 338.496 0.585 20 0 ECADHO CN1CCN(c2ccnc(NC(=O)C[C@@]3(O)CCC[N@H+](C)C3)c2)CC1 ZINC000913665035 609808647 /nfs/dbraw/zinc/80/86/47/609808647.db2.gz DVFVLEJCBCJUDB-SFHVURJKSA-N 1 3 347.463 0.619 20 0 ECADHO CN1CCN(c2ccnc(NC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)c2)CC1 ZINC000913665035 609808648 /nfs/dbraw/zinc/80/86/48/609808648.db2.gz DVFVLEJCBCJUDB-SFHVURJKSA-N 1 3 347.463 0.619 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543858 609851594 /nfs/dbraw/zinc/85/15/94/609851594.db2.gz DNPLWALIQRPYFB-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938543858 609851595 /nfs/dbraw/zinc/85/15/95/609851595.db2.gz DNPLWALIQRPYFB-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545290 609859561 /nfs/dbraw/zinc/85/95/61/609859561.db2.gz ARIXQEPLCKLBML-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545290 609859562 /nfs/dbraw/zinc/85/95/62/609859562.db2.gz ARIXQEPLCKLBML-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CN1CC[C@@H]1CNC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000914420335 609886312 /nfs/dbraw/zinc/88/63/12/609886312.db2.gz NATINERZLAVUFW-OAHLLOKOSA-N 1 3 332.452 0.337 20 0 ECADHO CN1CCN(c2ncccc2CNC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000914420335 609886313 /nfs/dbraw/zinc/88/63/13/609886313.db2.gz NATINERZLAVUFW-OAHLLOKOSA-N 1 3 332.452 0.337 20 0 ECADHO CN1CCN(c2ncccc2CNC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000914420335 609886314 /nfs/dbraw/zinc/88/63/14/609886314.db2.gz NATINERZLAVUFW-OAHLLOKOSA-N 1 3 332.452 0.337 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000911532403 609886512 /nfs/dbraw/zinc/88/65/12/609886512.db2.gz KZADUYROMPTQHN-SFHVURJKSA-N 1 3 336.480 0.437 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000911531488 609886664 /nfs/dbraw/zinc/88/66/64/609886664.db2.gz HNMJJIRUNNUDOA-UHFFFAOYSA-N 1 3 338.496 0.683 20 0 ECADHO COCC[N@@H+]1CCN(C(=O)C2CN([C@@H]3CCOC3)C2)C(C)(C)C1 ZINC000911912442 609922469 /nfs/dbraw/zinc/92/24/69/609922469.db2.gz RDBUAUJHZMXYDY-OAHLLOKOSA-N 1 3 325.453 0.276 20 0 ECADHO COCC[N@H+]1CCN(C(=O)C2CN([C@@H]3CCOC3)C2)C(C)(C)C1 ZINC000911912442 609922470 /nfs/dbraw/zinc/92/24/70/609922470.db2.gz RDBUAUJHZMXYDY-OAHLLOKOSA-N 1 3 325.453 0.276 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000938671750 609934089 /nfs/dbraw/zinc/93/40/89/609934089.db2.gz VDEJTXNHGIHASD-MRXNPFEDSA-N 1 3 347.463 0.888 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000940770003 610355666 /nfs/dbraw/zinc/35/56/66/610355666.db2.gz FDZDSYVNKIRZOT-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000940770003 610355668 /nfs/dbraw/zinc/35/56/68/610355668.db2.gz FDZDSYVNKIRZOT-OWCLPIDISA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941638893 610424024 /nfs/dbraw/zinc/42/40/24/610424024.db2.gz IVAHZNCJZQODFF-KRWDZBQOSA-N 1 3 334.508 0.957 20 0 ECADHO C[N@H+]1CC[C@@H](CC(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941638893 610424027 /nfs/dbraw/zinc/42/40/27/610424027.db2.gz IVAHZNCJZQODFF-KRWDZBQOSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000941694541 610467449 /nfs/dbraw/zinc/46/74/49/610467449.db2.gz MSFRUPJNDSEOOW-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000941694880 610467560 /nfs/dbraw/zinc/46/75/60/610467560.db2.gz REEJSRLCPDCCQG-HUUCEWRRSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000942244819 610717134 /nfs/dbraw/zinc/71/71/34/610717134.db2.gz BLCLUBKPZAMXSP-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000942244819 610717135 /nfs/dbraw/zinc/71/71/35/610717135.db2.gz BLCLUBKPZAMXSP-CAOSSQGBSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000944884399 610828520 /nfs/dbraw/zinc/82/85/20/610828520.db2.gz NUHXKHCVEUMSDJ-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000944884399 610828522 /nfs/dbraw/zinc/82/85/22/610828522.db2.gz NUHXKHCVEUMSDJ-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000943411027 610828732 /nfs/dbraw/zinc/82/87/32/610828732.db2.gz PIDXQQGEIYXPML-CABCVRRESA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000943411027 610828734 /nfs/dbraw/zinc/82/87/34/610828734.db2.gz PIDXQQGEIYXPML-CABCVRRESA-N 1 3 347.463 0.710 20 0 ECADHO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301429 611226467 /nfs/dbraw/zinc/22/64/67/611226467.db2.gz HIFFESZWEWKNOV-TZMCWYRMSA-N 1 3 339.461 0.705 20 0 ECADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(C(=O)NCCc3cccs3)CC2)C1 ZINC000923309478 611228106 /nfs/dbraw/zinc/22/81/06/611228106.db2.gz PECWTZKVEZLHFN-BPUTZDHNSA-N 1 3 337.489 0.969 20 0 ECADHO CCO[C@H](CNC(=O)NC1CCN([C@H]2CCOC2)CC1)C[NH+](C)C ZINC000923321539 611229252 /nfs/dbraw/zinc/22/92/52/611229252.db2.gz GVYOIWFJXMRHFV-JKSUJKDBSA-N 1 3 342.484 0.506 20 0 ECADHO NC(=O)CN1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946902655 611246014 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CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CN1CCCC1 ZINC000950419971 612012539 /nfs/dbraw/zinc/01/25/39/612012539.db2.gz OSYOFHNPCYGMBS-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000952034253 612192212 /nfs/dbraw/zinc/19/22/12/612192212.db2.gz LDWDDWJFWDHMEN-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000951413606 612214338 /nfs/dbraw/zinc/21/43/38/612214338.db2.gz NRGITXKSEVXKRC-HUUCEWRRSA-N 1 3 347.463 0.710 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000951413606 612214339 /nfs/dbraw/zinc/21/43/39/612214339.db2.gz NRGITXKSEVXKRC-HUUCEWRRSA-N 1 3 347.463 0.710 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000953817642 612314329 /nfs/dbraw/zinc/31/43/29/612314329.db2.gz CVDJQXJRAJGBGD-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000953817642 612314333 /nfs/dbraw/zinc/31/43/33/612314333.db2.gz CVDJQXJRAJGBGD-GOEBONIOSA-N 1 3 336.480 0.482 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904924 612419692 /nfs/dbraw/zinc/41/96/92/612419692.db2.gz NFNVIDAUXQCPIL-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904924 612419693 /nfs/dbraw/zinc/41/96/93/612419693.db2.gz NFNVIDAUXQCPIL-HZPDHXFCSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC000955341901 612466185 /nfs/dbraw/zinc/46/61/85/612466185.db2.gz WKBOCHKWJLGEFB-CQSZACIVSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC000955341901 612466191 /nfs/dbraw/zinc/46/61/91/612466191.db2.gz WKBOCHKWJLGEFB-CQSZACIVSA-N 1 3 336.480 0.624 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000955344676 612472523 /nfs/dbraw/zinc/47/25/23/612472523.db2.gz PFSQASXBCKPBHF-CABCVRRESA-N 1 3 336.480 0.339 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000955344676 612472525 /nfs/dbraw/zinc/47/25/25/612472525.db2.gz PFSQASXBCKPBHF-CABCVRRESA-N 1 3 336.480 0.339 20 0 ECADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000953949599 612481062 /nfs/dbraw/zinc/48/10/62/612481062.db2.gz JEPFZNDVGAKYJS-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000953949599 612481064 /nfs/dbraw/zinc/48/10/64/612481064.db2.gz JEPFZNDVGAKYJS-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000954824976 612717087 /nfs/dbraw/zinc/71/70/87/612717087.db2.gz RGNKPLJJYIBHMM-OAHLLOKOSA-N 1 3 348.491 0.768 20 0 ECADHO CC1CCN(CC(=O)N2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC000954847130 612741401 /nfs/dbraw/zinc/74/14/01/612741401.db2.gz QQJHRBDMXFEVAA-UHFFFAOYSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000956374263 612860953 /nfs/dbraw/zinc/86/09/53/612860953.db2.gz BXYLVOBTONODDY-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000956374263 612860954 /nfs/dbraw/zinc/86/09/54/612860954.db2.gz BXYLVOBTONODDY-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954384885 612887223 /nfs/dbraw/zinc/88/72/23/612887223.db2.gz DBUOHOQLFCDRRV-DOTOQJQBSA-N 1 3 348.491 0.768 20 0 ECADHO CN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CN(C(=O)CN2CCCC2)C1 ZINC000954384885 612887225 /nfs/dbraw/zinc/88/72/25/612887225.db2.gz DBUOHOQLFCDRRV-DOTOQJQBSA-N 1 3 348.491 0.768 20 0 ECADHO CNC(=O)CN1CCCC12CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164690653 719758113 /nfs/dbraw/zinc/75/81/13/719758113.db2.gz GPGLZGKJWKHVKN-UHFFFAOYSA-N 1 3 344.463 0.344 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(N(CCO)Cc3ccccn3)CC2)C1 ZINC001098561221 735473465 /nfs/dbraw/zinc/47/34/65/735473465.db2.gz XANXFXVDJIYYRY-MRXNPFEDSA-N 1 3 346.475 0.819 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(N(CCO)Cc3ccccn3)CC2)C1 ZINC001098561221 735473468 /nfs/dbraw/zinc/47/34/68/735473468.db2.gz XANXFXVDJIYYRY-MRXNPFEDSA-N 1 3 346.475 0.819 20 0 ECADHO O=C(N1CC[C@@]2(CCN([C@@H]3CCCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001041789182 782212932 /nfs/dbraw/zinc/21/29/32/782212932.db2.gz NEKZIMZGHWPKFV-CRAIPNDOSA-N 1 3 346.475 0.285 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC001024267695 737864222 /nfs/dbraw/zinc/86/42/22/737864222.db2.gz IAYTZCMQKNHBFK-OAHLLOKOSA-N 1 3 347.463 0.909 20 0 ECADHO COC[C@H](C)N1CC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969688425 732050366 /nfs/dbraw/zinc/05/03/66/732050366.db2.gz VWVDFHCCNVKQPR-UONOGXRCSA-N 1 3 337.468 0.530 20 0 ECADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CN(C(C)C)CCO3)C2)on1 ZINC000969704592 732062144 /nfs/dbraw/zinc/06/21/44/732062144.db2.gz CBEAXVNRRNLUNE-GDBMZVCRSA-N 1 3 336.436 0.783 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112481340 733127993 /nfs/dbraw/zinc/12/79/93/733127993.db2.gz LRNDQCMKXTWDRX-DXFLCJIMSA-N 1 3 349.475 0.060 20 0 ECADHO C[C@@H](NC(=O)[C@H]1CN2CC3CC2(C3)CO1)C1C[NH+](CCCF)C1 ZINC000970190053 733154310 /nfs/dbraw/zinc/15/43/10/733154310.db2.gz KRWCIBMQPHGXHD-RZZRIIHNSA-N 1 3 325.428 0.646 20 0 ECADHO Cn1cc(CNC[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001025140917 738711989 /nfs/dbraw/zinc/71/19/89/738711989.db2.gz ZVZXYVNNLBPEDT-MRXNPFEDSA-N 1 3 331.464 0.987 20 0 ECADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC000970451696 733550441 /nfs/dbraw/zinc/55/04/41/733550441.db2.gz SQEOUCJTECVBEV-SJORKVTESA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CCCN(C(=O)CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000970490493 733609663 /nfs/dbraw/zinc/60/96/63/733609663.db2.gz RLTNAEAHZHOEIH-HZPDHXFCSA-N 1 3 348.491 0.531 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)CC[N@H+](C)CC ZINC001067477810 734308990 /nfs/dbraw/zinc/30/89/90/734308990.db2.gz LQYFOPKMINUVPF-UHFFFAOYSA-N 1 3 328.501 0.977 20 0 ECADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)CC[N@@H+](C)CC ZINC001067477810 734308991 /nfs/dbraw/zinc/30/89/91/734308991.db2.gz LQYFOPKMINUVPF-UHFFFAOYSA-N 1 3 328.501 0.977 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001104348736 734516383 /nfs/dbraw/zinc/51/63/83/734516383.db2.gz SETWRSQPUFEUES-IIAWOOMASA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001167627077 736152397 /nfs/dbraw/zinc/15/23/97/736152397.db2.gz KANWHCYVTZEUDP-KGLIPLIRSA-N 1 3 338.452 0.150 20 0 ECADHO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCCCN2C(C)C)C1=O ZINC001167635693 736186799 /nfs/dbraw/zinc/18/67/99/736186799.db2.gz NOCGGRZWIBERID-HOTGVXAUSA-N 1 3 338.496 0.966 20 0 ECADHO COc1ncccc1CN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981262 736356355 /nfs/dbraw/zinc/35/63/55/736356355.db2.gz HGCMNGPGEUYMQW-GASCZTMLSA-N 1 3 330.432 0.923 20 0 ECADHO COc1cncc(CNCCCNC(=O)CC2CC[NH+](C)CC2)n1 ZINC001167667557 736433049 /nfs/dbraw/zinc/43/30/49/736433049.db2.gz LOIIUXXWITULJM-UHFFFAOYSA-N 1 3 335.452 0.813 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001023125451 736520728 /nfs/dbraw/zinc/52/07/28/736520728.db2.gz QZTPQHWDHIGAAS-ZQDZILKHSA-N 1 3 334.468 0.908 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001023131155 736526335 /nfs/dbraw/zinc/52/63/35/736526335.db2.gz XTUFOIRXNBHJKE-QLFBSQMISA-N 1 3 337.468 0.123 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001023560048 737010812 /nfs/dbraw/zinc/01/08/12/737010812.db2.gz JYAIBXZRJJUTLE-STQMWFEESA-N 1 3 336.436 0.657 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001023560048 737010813 /nfs/dbraw/zinc/01/08/13/737010813.db2.gz JYAIBXZRJJUTLE-STQMWFEESA-N 1 3 336.436 0.657 20 0 ECADHO CCn1nncc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001087246284 737095378 /nfs/dbraw/zinc/09/53/78/737095378.db2.gz IDTXRYVLPQLFHC-OAGGEKHMSA-N 1 3 348.495 0.966 20 0 ECADHO CCn1nncc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001087246284 737095381 /nfs/dbraw/zinc/09/53/81/737095381.db2.gz IDTXRYVLPQLFHC-OAGGEKHMSA-N 1 3 348.495 0.966 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023704033 737220411 /nfs/dbraw/zinc/22/04/11/737220411.db2.gz YYCMUDWLJRTZMC-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001067463609 737318566 /nfs/dbraw/zinc/31/85/66/737318566.db2.gz KUHQHMBECJEVCF-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001067463609 737318570 /nfs/dbraw/zinc/31/85/70/737318570.db2.gz KUHQHMBECJEVCF-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]CC3CC3)cc(=O)[n-]2)CC[N@@H+]1C ZINC001087257145 737411807 /nfs/dbraw/zinc/41/18/07/737411807.db2.gz CBMOOPNFQDFFRS-BXUZGUMPSA-N 1 3 333.436 0.638 20 0 ECADHO C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]CC3CC3)cc(=O)[n-]2)CC[N@H+]1C ZINC001087257145 737411809 /nfs/dbraw/zinc/41/18/09/737411809.db2.gz CBMOOPNFQDFFRS-BXUZGUMPSA-N 1 3 333.436 0.638 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001024016675 737619287 /nfs/dbraw/zinc/61/92/87/737619287.db2.gz MGZNTNHPQBJTFW-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO CCn1cc(CNC[C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001024018881 737623699 /nfs/dbraw/zinc/62/36/99/737623699.db2.gz SWKOGTXQSOHYKE-PBHICJAKSA-N 1 3 348.495 0.966 20 0 ECADHO O=C(NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1)C12CC[NH+](CC1)C2 ZINC001087261330 737677198 /nfs/dbraw/zinc/67/71/98/737677198.db2.gz DGFYTPIZVZHIJC-UHFFFAOYSA-N 1 3 331.420 0.394 20 0 ECADHO COc1cncc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001024264411 737871071 /nfs/dbraw/zinc/87/10/71/737871071.db2.gz QLTPJAYXBIPIGE-CABCVRRESA-N 1 3 347.463 0.765 20 0 ECADHO COc1cncc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024264411 737871075 /nfs/dbraw/zinc/87/10/75/737871075.db2.gz QLTPJAYXBIPIGE-CABCVRRESA-N 1 3 347.463 0.765 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100729890 739145522 /nfs/dbraw/zinc/14/55/22/739145522.db2.gz UZYCEMZGOTVNQD-UYSNPLJNSA-N 1 3 338.496 0.822 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001104691777 739490505 /nfs/dbraw/zinc/49/05/05/739490505.db2.gz VQATVVVULRXOBJ-OAGGEKHMSA-N 1 3 340.512 0.925 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3cncc3c2)C1 ZINC001025472439 739629727 /nfs/dbraw/zinc/62/97/27/739629727.db2.gz QGIFQWUUMFENQG-HIFRSBDPSA-N 1 3 343.431 0.911 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3cncc3c2)C1 ZINC001025472439 739629729 /nfs/dbraw/zinc/62/97/29/739629729.db2.gz QGIFQWUUMFENQG-HIFRSBDPSA-N 1 3 343.431 0.911 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001025818057 739991792 /nfs/dbraw/zinc/99/17/92/739991792.db2.gz OJDAPIWEIMYUJG-IECFSIQFSA-N 1 3 343.475 0.946 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001025818057 739991795 /nfs/dbraw/zinc/99/17/95/739991795.db2.gz OJDAPIWEIMYUJG-IECFSIQFSA-N 1 3 343.475 0.946 20 0 ECADHO CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)OC ZINC001025908704 740215801 /nfs/dbraw/zinc/21/58/01/740215801.db2.gz VXYHIIFSOWGBKA-PGDDFSHFSA-N 1 3 349.475 0.321 20 0 ECADHO CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)OC ZINC001025908704 740215804 /nfs/dbraw/zinc/21/58/04/740215804.db2.gz VXYHIIFSOWGBKA-PGDDFSHFSA-N 1 3 349.475 0.321 20 0 ECADHO CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001026043292 740334273 /nfs/dbraw/zinc/33/42/73/740334273.db2.gz JMSJUJSMBNRIKD-QFXBJFAPSA-N 1 3 348.491 0.384 20 0 ECADHO CC(C)N1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001026043292 740334277 /nfs/dbraw/zinc/33/42/77/740334277.db2.gz JMSJUJSMBNRIKD-QFXBJFAPSA-N 1 3 348.491 0.384 20 0 ECADHO CCN(CC)CC(=O)NCC1CC([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001100770717 740352395 /nfs/dbraw/zinc/35/23/95/740352395.db2.gz LLDYJNIWZWJHPK-NFOMZHRRSA-N 1 3 345.509 0.247 20 0 ECADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020432670 751600871 /nfs/dbraw/zinc/60/08/71/751600871.db2.gz UDULLTHOAYCYGQ-IIAWOOMASA-N 1 3 332.452 0.426 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@H]([NH2+]CCn3cccn3)[C@H]2C1 ZINC001026366467 741069806 /nfs/dbraw/zinc/06/98/06/741069806.db2.gz LIPHDZZFSQLHCC-BPUTZDHNSA-N 1 3 328.420 0.676 20 0 ECADHO Cn1ccc(CN[C@@H]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]23)n1 ZINC001026400262 741239551 /nfs/dbraw/zinc/23/95/51/741239551.db2.gz HAWPLUCQMMUDIE-DJIMGWMZSA-N 1 3 343.475 0.843 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001105066674 741284870 /nfs/dbraw/zinc/28/48/70/741284870.db2.gz BBMVDFIJKQGHKK-OAGGEKHMSA-N 1 3 338.496 0.632 20 0 ECADHO Cn1ccnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC001026421574 741338204 /nfs/dbraw/zinc/33/82/04/741338204.db2.gz UPOYWKHTCYXWNW-ARFHVFGLSA-N 1 3 331.464 0.843 20 0 ECADHO C[C@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)[C@H]1CCCN1C ZINC001020456764 751642425 /nfs/dbraw/zinc/64/24/25/751642425.db2.gz ITSYFCOQAKXLRL-QSPRXWTASA-N 1 3 348.491 0.528 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026559733 741560124 /nfs/dbraw/zinc/56/01/24/741560124.db2.gz RLMCOEZBCKTXMS-FVKWTLKZSA-N 1 3 342.459 0.701 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001078238104 782539074 /nfs/dbraw/zinc/53/90/74/782539074.db2.gz CIILXYTZXQBZBN-RRFJBIMHSA-N 1 3 326.485 0.535 20 0 ECADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001078238104 782539081 /nfs/dbraw/zinc/53/90/81/782539081.db2.gz CIILXYTZXQBZBN-RRFJBIMHSA-N 1 3 326.485 0.535 20 0 ECADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)nn1 ZINC001112523115 741904880 /nfs/dbraw/zinc/90/48/80/741904880.db2.gz DADFDHUHJBGSNZ-YOEHRIQHSA-N 1 3 334.468 0.485 20 0 ECADHO Cc1nnc(CNC[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)[nH]1 ZINC001112523193 741909902 /nfs/dbraw/zinc/90/99/02/741909902.db2.gz HJSBCEORMLZULD-YOEHRIQHSA-N 1 3 334.468 0.783 20 0 ECADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001026846606 741953295 /nfs/dbraw/zinc/95/32/95/741953295.db2.gz CAACRAOWJBZHTG-YOEHRIQHSA-N 1 3 331.464 0.700 20 0 ECADHO COc1cc(CNC[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001026848030 741956865 /nfs/dbraw/zinc/95/68/65/741956865.db2.gz RYDBQXXXUDXGPQ-CJNGLKHVSA-N 1 3 348.447 0.963 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)nn1 ZINC001026885242 742025351 /nfs/dbraw/zinc/02/53/51/742025351.db2.gz HHAZYKPNEZZLJB-CQSZACIVSA-N 1 3 347.463 0.908 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)nn1 ZINC001026885241 742025384 /nfs/dbraw/zinc/02/53/84/742025384.db2.gz HHAZYKPNEZZLJB-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001026916971 742094452 /nfs/dbraw/zinc/09/44/52/742094452.db2.gz UGNSQGAPBKQLER-JKSUJKDBSA-N 1 3 334.464 0.664 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001026935308 742117464 /nfs/dbraw/zinc/11/74/64/742117464.db2.gz LSRFUABTPHXVGW-RDJZCZTQSA-N 1 3 348.495 0.874 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001026935308 742117469 /nfs/dbraw/zinc/11/74/69/742117469.db2.gz LSRFUABTPHXVGW-RDJZCZTQSA-N 1 3 348.495 0.874 20 0 ECADHO CCc1nnc(CNC[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1C ZINC001027064676 742434171 /nfs/dbraw/zinc/43/41/71/742434171.db2.gz IWHPBZMXXNABKY-LSDHHAIUSA-N 1 3 348.495 0.657 20 0 ECADHO CCc1nnc(CNC[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1C ZINC001027064676 742434175 /nfs/dbraw/zinc/43/41/75/742434175.db2.gz IWHPBZMXXNABKY-LSDHHAIUSA-N 1 3 348.495 0.657 20 0 ECADHO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027065936 742438599 /nfs/dbraw/zinc/43/85/99/742438599.db2.gz HQEGHHLXWCJHRK-AWEZNQCLSA-N 1 3 334.468 0.485 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)[nH]1 ZINC001027105764 742574359 /nfs/dbraw/zinc/57/43/59/742574359.db2.gz RDFNNLLTWIWHFS-HNNXBMFYSA-N 1 3 334.468 0.783 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnnn3C)C2)CC1 ZINC001027139356 742719520 /nfs/dbraw/zinc/71/95/20/742719520.db2.gz GVNZYZOEGRSIMS-HNNXBMFYSA-N 1 3 334.468 0.485 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001027139954 742749134 /nfs/dbraw/zinc/74/91/34/742749134.db2.gz VDICOJWEECLIBY-HOTGVXAUSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](CNCc3cn(C)nn3)C2)CC1 ZINC001027151280 742796849 /nfs/dbraw/zinc/79/68/49/742796849.db2.gz VFLGBXDLBNGHPA-HNNXBMFYSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccn(C)c(=O)c2)CC1 ZINC000996994677 743105395 /nfs/dbraw/zinc/10/53/95/743105395.db2.gz ILOZDQPKXSFSDS-OAHLLOKOSA-N 1 3 346.475 0.950 20 0 ECADHO CCn1nncc1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996995315 743106393 /nfs/dbraw/zinc/10/63/93/743106393.db2.gz NHIKIJAOKAOHEP-CQSZACIVSA-N 1 3 334.468 0.863 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]C[C@@H]3CCc4ncnn43)CC2)C1 ZINC000997004763 743118731 /nfs/dbraw/zinc/11/87/31/743118731.db2.gz GMZAIGYEFCTFSZ-ZBFHGGJFSA-N 1 3 346.479 0.688 20 0 ECADHO C[C@H](NC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000997008447 743123025 /nfs/dbraw/zinc/12/30/25/743123025.db2.gz UVJHRCGJRPWZBF-KBPBESRZSA-N 1 3 334.468 0.799 20 0 ECADHO C[C@H](NC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000997008447 743123033 /nfs/dbraw/zinc/12/30/33/743123033.db2.gz UVJHRCGJRPWZBF-KBPBESRZSA-N 1 3 334.468 0.799 20 0 ECADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1)N(C)C ZINC000997014314 743132364 /nfs/dbraw/zinc/13/23/64/743132364.db2.gz HSZUMTLQEPJICO-CABCVRRESA-N 1 3 334.468 0.686 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000997243528 743399395 /nfs/dbraw/zinc/39/93/95/743399395.db2.gz WSVMBHMGMRZMII-UHFFFAOYSA-N 1 3 333.436 0.464 20 0 ECADHO COc1nccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000997306677 743469299 /nfs/dbraw/zinc/46/92/99/743469299.db2.gz HXHOANUNRBCWAG-UHFFFAOYSA-N 1 3 333.436 0.662 20 0 ECADHO CC(C)[C@H](C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC000997388061 743562086 /nfs/dbraw/zinc/56/20/86/743562086.db2.gz XEJQJQXXXHZGGO-OAHLLOKOSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC000997392271 743565115 /nfs/dbraw/zinc/56/51/15/743565115.db2.gz IIXVDGDEKPOQIM-ZFWWWQNUSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC000997392271 743565120 /nfs/dbraw/zinc/56/51/20/743565120.db2.gz IIXVDGDEKPOQIM-ZFWWWQNUSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000997394751 743567038 /nfs/dbraw/zinc/56/70/38/743567038.db2.gz BOBKHVWCVRZBGP-GDBMZVCRSA-N 1 3 348.491 0.530 20 0 ECADHO Cn1nccc1CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001020591949 751860574 /nfs/dbraw/zinc/86/05/74/751860574.db2.gz XCHRZSBDSHIOEH-SHTZXODSSA-N 1 3 333.480 0.931 20 0 ECADHO CN(C)C1(C(=O)N2CCC(C[NH2+][C@H]3CCN(C)C3=O)CC2)CCC1 ZINC000997822269 743836533 /nfs/dbraw/zinc/83/65/33/743836533.db2.gz AATPTYXVRPCQAQ-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1)C1CC1 ZINC000997829789 743841443 /nfs/dbraw/zinc/84/14/43/743841443.db2.gz CBLBXSALTYCAQT-HOTGVXAUSA-N 1 3 336.480 0.433 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001020593110 751866195 /nfs/dbraw/zinc/86/61/95/751866195.db2.gz XFCIXDHGRHLOTQ-NMFUWQPSSA-N 1 3 333.436 0.420 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001020593110 751866207 /nfs/dbraw/zinc/86/62/07/751866207.db2.gz XFCIXDHGRHLOTQ-NMFUWQPSSA-N 1 3 333.436 0.420 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c(C)n1 ZINC001020592923 751866448 /nfs/dbraw/zinc/86/64/48/751866448.db2.gz SCSRXSPADRXXNC-RAEVTNRLSA-N 1 3 347.463 0.728 20 0 ECADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)c(C)n1 ZINC001020592923 751866456 /nfs/dbraw/zinc/86/64/56/751866456.db2.gz SCSRXSPADRXXNC-RAEVTNRLSA-N 1 3 347.463 0.728 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC000998082192 743967860 /nfs/dbraw/zinc/96/78/60/743967860.db2.gz OEIPGTOWBJESNO-GOEBONIOSA-N 1 3 336.480 0.435 20 0 ECADHO COc1cncc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998266791 744087048 /nfs/dbraw/zinc/08/70/48/744087048.db2.gz RDSQCRRMVCRAHQ-OAHLLOKOSA-N 1 3 347.463 0.765 20 0 ECADHO COc1cncc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998266791 744087051 /nfs/dbraw/zinc/08/70/51/744087051.db2.gz RDSQCRRMVCRAHQ-OAHLLOKOSA-N 1 3 347.463 0.765 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)C1 ZINC000976761850 744302632 /nfs/dbraw/zinc/30/26/32/744302632.db2.gz TWAPZXVUUBNQJD-KBEGMRNHSA-N 1 3 348.491 0.243 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC000976862019 744414453 /nfs/dbraw/zinc/41/44/53/744414453.db2.gz NCNKDSNJMULTOO-GAGVYUBLSA-N 1 3 336.480 0.241 20 0 ECADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000976862019 744414455 /nfs/dbraw/zinc/41/44/55/744414455.db2.gz NCNKDSNJMULTOO-GAGVYUBLSA-N 1 3 336.480 0.241 20 0 ECADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC000976862266 744415037 /nfs/dbraw/zinc/41/50/37/744415037.db2.gz PGGCEVVHKZUAHQ-RGPZOAQRSA-N 1 3 348.491 0.386 20 0 ECADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000976862266 744415042 /nfs/dbraw/zinc/41/50/42/744415042.db2.gz PGGCEVVHKZUAHQ-RGPZOAQRSA-N 1 3 348.491 0.386 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)CC[N@@H+]1C ZINC001020633152 751919549 /nfs/dbraw/zinc/91/95/49/751919549.db2.gz VFTWTXALEKQYRC-QCEMKRCNSA-N 1 3 347.463 0.788 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)CC[N@H+]1C ZINC001020633152 751919550 /nfs/dbraw/zinc/91/95/50/751919550.db2.gz VFTWTXALEKQYRC-QCEMKRCNSA-N 1 3 347.463 0.788 20 0 ECADHO Cc1nc(CN[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n[nH]1 ZINC000999173636 744548822 /nfs/dbraw/zinc/54/88/22/744548822.db2.gz KYCRVXRDDINQPQ-CABCVRRESA-N 1 3 332.452 0.536 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)CCC1 ZINC000999355310 744648542 /nfs/dbraw/zinc/64/85/42/744648542.db2.gz UJOGDWJJUMSGRW-CABCVRRESA-N 1 3 346.479 0.830 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1)C1CC1 ZINC000999367038 744657141 /nfs/dbraw/zinc/65/71/41/744657141.db2.gz DLJMNNBMIYSZJT-IAGOWNOFSA-N 1 3 333.480 0.883 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1)C1CC1 ZINC000999370970 744662052 /nfs/dbraw/zinc/66/20/52/744662052.db2.gz MATBFCRPXVSCKM-NVXWUHKLSA-N 1 3 333.480 0.883 20 0 ECADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CC(NCc2cnnn2C)C1 ZINC000999509927 744730688 /nfs/dbraw/zinc/73/06/88/744730688.db2.gz SHFQUIQVOVZQII-UHFFFAOYSA-N 1 3 334.468 0.626 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@@H+]4CC[C@@H](C)C4)C[C@H]32)C1 ZINC000977206385 744766698 /nfs/dbraw/zinc/76/66/98/744766698.db2.gz DIFFCXIRYPEJAY-RMWBKXBUSA-N 1 3 348.491 0.243 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@H]32)C1 ZINC000977206385 744766700 /nfs/dbraw/zinc/76/67/00/744766700.db2.gz DIFFCXIRYPEJAY-RMWBKXBUSA-N 1 3 348.491 0.243 20 0 ECADHO CN(C)Cc1cccc(C(=O)N(C)C2CC([NH2+][C@H]3CCNC3=O)C2)c1 ZINC000999870521 744971577 /nfs/dbraw/zinc/97/15/77/744971577.db2.gz MWVOJSQYWRNPSJ-JCYILVPMSA-N 1 3 344.459 0.829 20 0 ECADHO C[C@H]([NH2+]C1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC000999871789 744975714 /nfs/dbraw/zinc/97/57/14/744975714.db2.gz ZFPKBWHORSHQKR-JQRITLKVSA-N 1 3 332.448 0.815 20 0 ECADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000983693692 745070590 /nfs/dbraw/zinc/07/05/90/745070590.db2.gz WBQWNIZPJDYVFS-FVQBIDKESA-N 1 3 331.464 0.746 20 0 ECADHO C[C@@H]([NH2+][C@H]1CCNC1=O)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107062 745097788 /nfs/dbraw/zinc/09/77/88/745097788.db2.gz GSGNHADRICFVSK-HIFRSBDPSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001029108046 745100555 /nfs/dbraw/zinc/10/05/55/745100555.db2.gz VWQSVDBMNILLRB-DYVFJYSZSA-N 1 3 348.495 0.872 20 0 ECADHO Cc1nnc(CN[C@@H](C)C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC001029165501 745195430 /nfs/dbraw/zinc/19/54/30/745195430.db2.gz HRARVHGLPGQNFS-ZDUSSCGKSA-N 1 3 346.479 0.926 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC001000215630 745353661 /nfs/dbraw/zinc/35/36/61/745353661.db2.gz AIPXJLQVJUGDSP-HOTGVXAUSA-N 1 3 336.484 0.816 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001000229173 745364366 /nfs/dbraw/zinc/36/43/66/745364366.db2.gz WXGSBCOBQGVYJL-CVEARBPZSA-N 1 3 334.464 0.806 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001000592835 745622703 /nfs/dbraw/zinc/62/27/03/745622703.db2.gz FFCBOYKEJHPMSI-HZPDHXFCSA-N 1 3 336.480 0.576 20 0 ECADHO Cc1ncc(CN[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001000710272 745714983 /nfs/dbraw/zinc/71/49/83/745714983.db2.gz KJIMFEZIDKQFRC-INIZCTEOSA-N 1 3 329.448 0.961 20 0 ECADHO CN1CC[C@H](N2CCC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1=O ZINC001001414559 746354602 /nfs/dbraw/zinc/35/46/02/746354602.db2.gz NIAMSVHEBGFBNF-SJORKVTESA-N 1 3 348.491 0.387 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001645765 746567588 /nfs/dbraw/zinc/56/75/88/746567588.db2.gz LLAMOXGQOUJEEZ-OBYFKMTLSA-N 1 3 337.464 0.059 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361345 752121770 /nfs/dbraw/zinc/12/17/70/752121770.db2.gz XOLDKLMNCVUVOE-CQSZACIVSA-N 1 3 334.468 0.893 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361345 752121772 /nfs/dbraw/zinc/12/17/72/752121772.db2.gz XOLDKLMNCVUVOE-CQSZACIVSA-N 1 3 334.468 0.893 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC000984804221 746960742 /nfs/dbraw/zinc/96/07/42/746960742.db2.gz NJSRYRFFVVXAEG-FPCVCCKLSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)C1 ZINC000984804680 746961575 /nfs/dbraw/zinc/96/15/75/746961575.db2.gz PZYFMXLJBWOYKU-FPCVCCKLSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)C1(C(=O)N2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CCC1 ZINC001002084668 746962187 /nfs/dbraw/zinc/96/21/87/746962187.db2.gz SVSPBDGJHVWRMP-MRXNPFEDSA-N 1 3 348.491 0.387 20 0 ECADHO CN(CC(=O)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CCC1 ZINC001002086033 746963049 /nfs/dbraw/zinc/96/30/49/746963049.db2.gz YPVRQCZCCOOABM-KRWDZBQOSA-N 1 3 348.491 0.387 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NCC2CCN(CCN3CCCC3=O)CC2)C1 ZINC001002126778 747007996 /nfs/dbraw/zinc/00/79/96/747007996.db2.gz PWCVIINANNZVSH-INIZCTEOSA-N 1 3 336.480 0.389 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NCC2CCN(CCN3CCCC3=O)CC2)C1 ZINC001002126778 747008005 /nfs/dbraw/zinc/00/80/05/747008005.db2.gz PWCVIINANNZVSH-INIZCTEOSA-N 1 3 336.480 0.389 20 0 ECADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046554 747141280 /nfs/dbraw/zinc/14/12/80/747141280.db2.gz ZRTPBRNZBNVURL-XFHVWQCUSA-N 1 3 349.475 0.276 20 0 ECADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046554 747141283 /nfs/dbraw/zinc/14/12/83/747141283.db2.gz ZRTPBRNZBNVURL-XFHVWQCUSA-N 1 3 349.475 0.276 20 0 ECADHO COc1cncc(CNC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000985034172 747287704 /nfs/dbraw/zinc/28/77/04/747287704.db2.gz JPDHCYUJNRKKDE-RBSFLKMASA-N 1 3 347.463 0.811 20 0 ECADHO COc1cncc(CNC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985034172 747287705 /nfs/dbraw/zinc/28/77/05/747287705.db2.gz JPDHCYUJNRKKDE-RBSFLKMASA-N 1 3 347.463 0.811 20 0 ECADHO CN(C[C@H]1CCCN1C(=O)CN1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001002527385 747474719 /nfs/dbraw/zinc/47/47/19/747474719.db2.gz KAAJHMHURRAOBX-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CCCN1C(=O)CN1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001002527385 747474723 /nfs/dbraw/zinc/47/47/23/747474723.db2.gz KAAJHMHURRAOBX-HZPDHXFCSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000979310779 747591425 /nfs/dbraw/zinc/59/14/25/747591425.db2.gz IQAJXBJSURKBSZ-RHSMWYFYSA-N 1 3 349.479 0.610 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001002811527 747817414 /nfs/dbraw/zinc/81/74/14/747817414.db2.gz OQMRWFHSYMDYHP-DOTOQJQBSA-N 1 3 346.479 0.733 20 0 ECADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001002811527 747817421 /nfs/dbraw/zinc/81/74/21/747817421.db2.gz OQMRWFHSYMDYHP-DOTOQJQBSA-N 1 3 346.479 0.733 20 0 ECADHO Cn1cc(CCN2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC001002829368 747845674 /nfs/dbraw/zinc/84/56/74/747845674.db2.gz UENHVQWYLNUTFJ-SFHVURJKSA-N 1 3 345.491 0.885 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001002874958 747907212 /nfs/dbraw/zinc/90/72/12/747907212.db2.gz FAZAOPKGDCVLNU-INIZCTEOSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC000985439993 748023897 /nfs/dbraw/zinc/02/38/97/748023897.db2.gz CMMUTAQNLZEBTB-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC000985439993 748023903 /nfs/dbraw/zinc/02/39/03/748023903.db2.gz CMMUTAQNLZEBTB-GDBMZVCRSA-N 1 3 336.480 0.482 20 0 ECADHO CN1CC[C@H](N2CCC(NC(=O)c3ccn4c[nH+]cc4c3)CC2)C1=O ZINC001003250942 748344780 /nfs/dbraw/zinc/34/47/80/748344780.db2.gz OXKUODDOMZAEHN-INIZCTEOSA-N 1 3 341.415 0.759 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101418113 748410673 /nfs/dbraw/zinc/41/06/73/748410673.db2.gz ABYYNLZBFXXZMR-RKVPGOIHSA-N 1 3 338.496 0.585 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101418113 748410679 /nfs/dbraw/zinc/41/06/79/748410679.db2.gz ABYYNLZBFXXZMR-RKVPGOIHSA-N 1 3 338.496 0.585 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001003322994 748427119 /nfs/dbraw/zinc/42/71/19/748427119.db2.gz DCZAWHBQJZECNJ-HOCLYGCPSA-N 1 3 347.463 0.647 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001003333979 748436594 /nfs/dbraw/zinc/43/65/94/748436594.db2.gz QRWRAEFMCYMRGE-UHFFFAOYSA-N 1 3 348.491 0.389 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC2(CCN(CCO)CC2)O1 ZINC001098630523 748470060 /nfs/dbraw/zinc/47/00/60/748470060.db2.gz HMHVMOYOHJDMKX-OAHLLOKOSA-N 1 3 339.480 0.402 20 0 ECADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)[C@@H]1CCNC1=O ZINC001029842952 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336.480 0.338 20 0 ECADHO CN(C)[C@H](C(=O)N1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)C1CC1 ZINC001011178278 757131461 /nfs/dbraw/zinc/13/14/61/757131461.db2.gz SNZZPPYRWWDXOI-SJORKVTESA-N 1 3 348.491 0.339 20 0 ECADHO Cc1nc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n[nH]1 ZINC000996225086 757139247 /nfs/dbraw/zinc/13/92/47/757139247.db2.gz ZFXQEFZOCNHEAI-CQSZACIVSA-N 1 3 334.468 0.782 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)CCC1 ZINC001048860392 757206232 /nfs/dbraw/zinc/20/62/32/757206232.db2.gz RVRKNJDBYXZUOC-QLFBSQMISA-N 1 3 334.464 0.092 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)CCC1 ZINC001048860392 757206241 /nfs/dbraw/zinc/20/62/41/757206241.db2.gz RVRKNJDBYXZUOC-QLFBSQMISA-N 1 3 334.464 0.092 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000996299733 757306314 /nfs/dbraw/zinc/30/63/14/757306314.db2.gz DKRKQTHQYFZBMO-GJZGRUSLSA-N 1 3 334.468 0.589 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001011263272 757328136 /nfs/dbraw/zinc/32/81/36/757328136.db2.gz GPLNTHDILCDLGS-MRXNPFEDSA-N 1 3 347.463 0.886 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001011263272 757328147 /nfs/dbraw/zinc/32/81/47/757328147.db2.gz GPLNTHDILCDLGS-MRXNPFEDSA-N 1 3 347.463 0.886 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1)C1CCC1 ZINC000996314381 757346647 /nfs/dbraw/zinc/34/66/47/757346647.db2.gz KZBQEJOJUGLDLT-SFHVURJKSA-N 1 3 348.491 0.672 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCC2)C(C)(C)C1)N(C)C ZINC000996315006 757348419 /nfs/dbraw/zinc/34/84/19/757348419.db2.gz LELQENMCNXJOGO-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001011282321 757403562 /nfs/dbraw/zinc/40/35/62/757403562.db2.gz FWIJEBULJPZQKC-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001011282321 757403565 /nfs/dbraw/zinc/40/35/65/757403565.db2.gz FWIJEBULJPZQKC-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001048918600 757408601 /nfs/dbraw/zinc/40/86/01/757408601.db2.gz KNEVPKORNSZBKN-HRCADAONSA-N 1 3 348.491 0.482 20 0 ECADHO CC[C@H](C(=O)N1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1)N(C)C ZINC001011323104 757517015 /nfs/dbraw/zinc/51/70/15/757517015.db2.gz DUIJRWANPQANRJ-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001076924558 757611511 /nfs/dbraw/zinc/61/15/11/757611511.db2.gz SKHRHZXDQVZNQZ-GOEBONIOSA-N 1 3 338.496 0.679 20 0 ECADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001076924602 757613559 /nfs/dbraw/zinc/61/35/59/757613559.db2.gz UYMDRUUCLNLOLG-AWEZNQCLSA-N 1 3 326.485 0.679 20 0 ECADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000996430118 757659024 /nfs/dbraw/zinc/65/90/24/757659024.db2.gz NKAHUHJCRXWDRQ-DOMZBBRYSA-N 1 3 333.436 0.400 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001076950972 757712593 /nfs/dbraw/zinc/71/25/93/757712593.db2.gz OZWLZOUOXKFWGZ-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001076950972 757712597 /nfs/dbraw/zinc/71/25/97/757712597.db2.gz OZWLZOUOXKFWGZ-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCC(=O)N1CCCC1 ZINC000996518192 757926580 /nfs/dbraw/zinc/92/65/80/757926580.db2.gz CQILWUYPGHIQJJ-HNNXBMFYSA-N 1 3 348.491 0.531 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC000996543961 757973587 /nfs/dbraw/zinc/97/35/87/757973587.db2.gz HPYWKDJVSBTOMB-ATGSNQNLSA-N 1 3 331.420 0.152 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)C1 ZINC000996543961 757973596 /nfs/dbraw/zinc/97/35/96/757973596.db2.gz HPYWKDJVSBTOMB-ATGSNQNLSA-N 1 3 331.420 0.152 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21)C1CCC1 ZINC001021941249 758087397 /nfs/dbraw/zinc/08/73/97/758087397.db2.gz JPUYXDVNHGXHJP-ZMSDIMECSA-N 1 3 348.491 0.482 20 0 ECADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21)C1CCC1 ZINC001021941249 758087412 /nfs/dbraw/zinc/08/74/12/758087412.db2.gz JPUYXDVNHGXHJP-ZMSDIMECSA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+]Cc3cccnc3)C2)CCC1 ZINC001051654109 762600060 /nfs/dbraw/zinc/60/00/60/762600060.db2.gz HMPBPYPZSGOIDR-INIZCTEOSA-N 1 3 332.448 0.883 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049171154 758210582 /nfs/dbraw/zinc/21/05/82/758210582.db2.gz MGVLEZXBFNPBAC-FPCVCCKLSA-N 1 3 336.480 0.195 20 0 ECADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049171154 758210587 /nfs/dbraw/zinc/21/05/87/758210587.db2.gz MGVLEZXBFNPBAC-FPCVCCKLSA-N 1 3 336.480 0.195 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022090449 758263739 /nfs/dbraw/zinc/26/37/39/758263739.db2.gz YPLQHQICARVCOV-IJEWVQPXSA-N 1 3 332.452 0.377 20 0 ECADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)on1 ZINC000996625210 758272203 /nfs/dbraw/zinc/27/22/03/758272203.db2.gz ZSUTXGZHXCRPSX-WBVHZDCISA-N 1 3 348.447 0.927 20 0 ECADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)on1 ZINC000996625210 758272208 /nfs/dbraw/zinc/27/22/08/758272208.db2.gz ZSUTXGZHXCRPSX-WBVHZDCISA-N 1 3 348.447 0.927 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022119342 758299146 /nfs/dbraw/zinc/29/91/46/758299146.db2.gz DSXQUNIDLNTZPG-DLTWYDFYSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022119342 758299156 /nfs/dbraw/zinc/29/91/56/758299156.db2.gz DSXQUNIDLNTZPG-DLTWYDFYSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022120138 758303444 /nfs/dbraw/zinc/30/34/44/758303444.db2.gz LDFPNVPAQJYADA-QKPAOTATSA-N 1 3 334.420 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022120138 758303454 /nfs/dbraw/zinc/30/34/54/758303454.db2.gz LDFPNVPAQJYADA-QKPAOTATSA-N 1 3 334.420 0.583 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022201493 758413498 /nfs/dbraw/zinc/41/34/98/758413498.db2.gz JMEFOHLJNNETQD-QLFBSQMISA-N 1 3 334.468 0.815 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022201493 758413500 /nfs/dbraw/zinc/41/35/00/758413500.db2.gz JMEFOHLJNNETQD-QLFBSQMISA-N 1 3 334.468 0.815 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060319647 762628566 /nfs/dbraw/zinc/62/85/66/762628566.db2.gz BHADBOCTQMQJDJ-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)cn1 ZINC001022451694 758741569 /nfs/dbraw/zinc/74/15/69/758741569.db2.gz FHLXYIRRDPQFSR-FMJRBIFOSA-N 1 3 345.447 0.020 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3CCO)n1 ZINC001049483960 758794185 /nfs/dbraw/zinc/79/41/85/758794185.db2.gz DEYGZOAUYIIKBD-HOTGVXAUSA-N 1 3 335.452 0.116 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022807800 759130280 /nfs/dbraw/zinc/13/02/80/759130280.db2.gz NKVUIEWRBSELEM-XUWVNRHRSA-N 1 3 336.480 0.765 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCN2CCNC2=O)C1 ZINC001049895230 759370468 /nfs/dbraw/zinc/37/04/68/759370468.db2.gz IWTIQNVZOBMXNL-ARFHVFGLSA-N 1 3 349.479 0.029 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCN2CCNC2=O)C1 ZINC001049895230 759370480 /nfs/dbraw/zinc/37/04/80/759370480.db2.gz IWTIQNVZOBMXNL-ARFHVFGLSA-N 1 3 349.479 0.029 20 0 ECADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)[C@H](C)C1 ZINC001107042542 759504233 /nfs/dbraw/zinc/50/42/33/759504233.db2.gz QYWBFFIUYAZWFJ-OAGGEKHMSA-N 1 3 348.495 0.790 20 0 ECADHO C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047982596 759770356 /nfs/dbraw/zinc/77/03/56/759770356.db2.gz KOLFNKVGGFKIDK-DZGCQCFKSA-N 1 3 343.431 0.678 20 0 ECADHO C[C@@H](NCc1ccn(C)n1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048041453 759871310 /nfs/dbraw/zinc/87/13/10/759871310.db2.gz XVVKJSVLAQSFPU-HUUCEWRRSA-N 1 3 331.464 0.843 20 0 ECADHO COc1nccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001048058593 759898139 /nfs/dbraw/zinc/89/81/39/759898139.db2.gz GKTBGGJIBGTUSM-GJZGRUSLSA-N 1 3 347.463 0.908 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001054296296 767904549 /nfs/dbraw/zinc/90/45/49/767904549.db2.gz PTDSZOPOOMQLPB-PMPSAXMXSA-N 1 3 338.496 0.774 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@H](CC[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001050235553 760017588 /nfs/dbraw/zinc/01/75/88/760017588.db2.gz NQKUCMYOFHYEDN-GJZGRUSLSA-N 1 3 336.480 0.435 20 0 ECADHO CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050236792 760021322 /nfs/dbraw/zinc/02/13/22/760021322.db2.gz RRHBDBGNFJXUAW-ZFWWWQNUSA-N 1 3 333.436 0.401 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000945399524 760222093 /nfs/dbraw/zinc/22/20/93/760222093.db2.gz RAHVUQNYJHGCEQ-INIZCTEOSA-N 1 3 348.491 0.816 20 0 ECADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CNCc1cn(C)nn1 ZINC001048339477 760336132 /nfs/dbraw/zinc/33/61/32/760336132.db2.gz UQSIHCUFVURDEK-CABCVRRESA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNCc1ccn(C)n1 ZINC001048365916 760381829 /nfs/dbraw/zinc/38/18/29/760381829.db2.gz ICLCTWCBPAAXQC-ZBFHGGJFSA-N 1 3 333.480 0.946 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050521402 760420258 /nfs/dbraw/zinc/42/02/58/760420258.db2.gz OYFGSOSNURYJEC-GDBMZVCRSA-N 1 3 348.491 0.387 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001048416456 760480925 /nfs/dbraw/zinc/48/09/25/760480925.db2.gz FIQMMYWCCHCEFU-HZPDHXFCSA-N 1 3 348.495 0.731 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050661661 760636067 /nfs/dbraw/zinc/63/60/67/760636067.db2.gz AEWITECJBPLCPC-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050661661 760636070 /nfs/dbraw/zinc/63/60/70/760636070.db2.gz AEWITECJBPLCPC-LSDHHAIUSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001050662730 760638339 /nfs/dbraw/zinc/63/83/39/760638339.db2.gz MWGWRONVAUGXOS-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001050662730 760638341 /nfs/dbraw/zinc/63/83/41/760638341.db2.gz MWGWRONVAUGXOS-LSDHHAIUSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+]([C@@H]2CCCNC2=O)CC3)C1 ZINC001050662571 760638547 /nfs/dbraw/zinc/63/85/47/760638547.db2.gz KQLKMQDABSUVKI-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050662571 760638551 /nfs/dbraw/zinc/63/85/51/760638551.db2.gz KQLKMQDABSUVKI-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@@H]2CCCNC2=O)CC3)C1 ZINC001050662571 760638555 /nfs/dbraw/zinc/63/85/55/760638555.db2.gz KQLKMQDABSUVKI-JKSUJKDBSA-N 1 3 348.491 0.531 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]([NH2+][C@@H]3CCCNC3=O)C(C)(C)C2)CCC1 ZINC000995888883 760768710 /nfs/dbraw/zinc/76/87/10/760768710.db2.gz SQDMGLIQOIAUID-KGLIPLIRSA-N 1 3 336.480 0.576 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050773245 760821763 /nfs/dbraw/zinc/82/17/63/760821763.db2.gz QDXOAJYBCPKPOC-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050773245 760821771 /nfs/dbraw/zinc/82/17/71/760821771.db2.gz QDXOAJYBCPKPOC-HOTGVXAUSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991423303 760865488 /nfs/dbraw/zinc/86/54/88/760865488.db2.gz WRQWTSFEDSBYOY-HZPDHXFCSA-N 1 3 338.496 0.917 20 0 ECADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1)N(C)C ZINC000991423303 760865498 /nfs/dbraw/zinc/86/54/98/760865498.db2.gz WRQWTSFEDSBYOY-HZPDHXFCSA-N 1 3 338.496 0.917 20 0 ECADHO C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077444290 760946876 /nfs/dbraw/zinc/94/68/76/760946876.db2.gz RVMPLMWPTGTKIW-QZTJIDSGSA-N 1 3 331.460 0.976 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C ZINC001127082272 761019326 /nfs/dbraw/zinc/01/93/26/761019326.db2.gz NYZQMDWTPASZHP-UONOGXRCSA-N 1 3 326.485 0.868 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C ZINC001127082272 761019336 /nfs/dbraw/zinc/01/93/36/761019336.db2.gz NYZQMDWTPASZHP-UONOGXRCSA-N 1 3 326.485 0.868 20 0 ECADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106245501 768010164 /nfs/dbraw/zinc/01/01/64/768010164.db2.gz BZCUOHHBXLXJCO-HZPDHXFCSA-N 1 3 341.496 0.818 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000991490179 761189002 /nfs/dbraw/zinc/18/90/02/761189002.db2.gz WRYLNVXOVQLCPK-MRXNPFEDSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000991490179 761189006 /nfs/dbraw/zinc/18/90/06/761189006.db2.gz WRYLNVXOVQLCPK-MRXNPFEDSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001050948786 761196769 /nfs/dbraw/zinc/19/67/69/761196769.db2.gz BWKLRSBXTMPTEP-CABCVRRESA-N 1 3 326.485 0.632 20 0 ECADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106254951 768020683 /nfs/dbraw/zinc/02/06/83/768020683.db2.gz CIBYMODNGRFLEW-FMKPAKJESA-N 1 3 327.469 0.162 20 0 ECADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255333 768022662 /nfs/dbraw/zinc/02/26/62/768022662.db2.gz NGOGWZGNTSFUNU-HZPDHXFCSA-N 1 3 341.496 0.818 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000991537772 761451444 /nfs/dbraw/zinc/45/14/44/761451444.db2.gz MKKYCSVOPQIDNC-HOCLYGCPSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000991537772 761451449 /nfs/dbraw/zinc/45/14/49/761451449.db2.gz MKKYCSVOPQIDNC-HOCLYGCPSA-N 1 3 334.464 0.284 20 0 ECADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281791 768064397 /nfs/dbraw/zinc/06/43/97/768064397.db2.gz CRCXLDRBKDXGNU-WCVJEAGWSA-N 1 3 329.485 0.264 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001051299777 761851717 /nfs/dbraw/zinc/85/17/17/761851717.db2.gz OWXCVWOZYXLQSJ-KDOFPFPSSA-N 1 3 331.460 0.851 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001051299777 761851731 /nfs/dbraw/zinc/85/17/31/761851731.db2.gz OWXCVWOZYXLQSJ-KDOFPFPSSA-N 1 3 331.460 0.851 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000991723378 762971655 /nfs/dbraw/zinc/97/16/55/762971655.db2.gz RGWUTAQUCMQVMF-MRXNPFEDSA-N 1 3 344.459 0.641 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000991723378 762971660 /nfs/dbraw/zinc/97/16/60/762971660.db2.gz RGWUTAQUCMQVMF-MRXNPFEDSA-N 1 3 344.459 0.641 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001017545639 768100793 /nfs/dbraw/zinc/10/07/93/768100793.db2.gz JJBINBROIDPPTE-KRWDZBQOSA-N 1 3 348.491 0.697 20 0 ECADHO Cc1cccnc1CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904601 763290699 /nfs/dbraw/zinc/29/06/99/763290699.db2.gz RRWCCUMLWAZPCL-MRXNPFEDSA-N 1 3 344.459 0.803 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000940423777 763310654 /nfs/dbraw/zinc/31/06/54/763310654.db2.gz INPWIYGMCNORHH-HZPDHXFCSA-N 1 3 348.491 0.672 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001046894127 763321831 /nfs/dbraw/zinc/32/18/31/763321831.db2.gz SYTRDPZFCUKLOR-WMLDXEAASA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCn1cncn1 ZINC001054649413 768126435 /nfs/dbraw/zinc/12/64/35/768126435.db2.gz MTUSKBKZPHJLIU-HZPDHXFCSA-N 1 3 348.495 0.979 20 0 ECADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](N2CCN(CC3CC3)CC2)C1 ZINC001052027313 763621205 /nfs/dbraw/zinc/62/12/05/763621205.db2.gz DPDMRMPFLKPWRA-OALUTQOASA-N 1 3 346.519 0.957 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)n1 ZINC001047073536 763631422 /nfs/dbraw/zinc/63/14/22/763631422.db2.gz SOGRCQWXTKQDGV-KKUMJFAQSA-N 1 3 337.443 0.997 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000991856970 764068539 /nfs/dbraw/zinc/06/85/39/764068539.db2.gz VJKFSZSWQSNBQS-HNNXBMFYSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC001054740057 768215451 /nfs/dbraw/zinc/21/54/51/768215451.db2.gz VDBLTPWLGRBROH-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC001054741122 768217885 /nfs/dbraw/zinc/21/78/85/768217885.db2.gz XXXVNJOZUSJMQA-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CC)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001052662962 764958271 /nfs/dbraw/zinc/95/82/71/764958271.db2.gz XYQDXBLRYAQBPO-HOTGVXAUSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001052815793 765174678 /nfs/dbraw/zinc/17/46/78/765174678.db2.gz XASXQSCPVGZCQM-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO CN1CC[C@H](N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001052870228 765265135 /nfs/dbraw/zinc/26/51/35/765265135.db2.gz RMQFLYHQADHARE-GJZGRUSLSA-N 1 3 334.464 0.284 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2N(CCn2cncn2)CC3)CC1 ZINC000992143279 765645128 /nfs/dbraw/zinc/64/51/28/765645128.db2.gz MJPGRIRZOZOPSJ-AEFFLSMTSA-N 1 3 346.479 0.733 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001077498243 765712919 /nfs/dbraw/zinc/71/29/19/765712919.db2.gz KEDJTUUKXBFLCO-ZNMIVQPWSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001077498243 765712923 /nfs/dbraw/zinc/71/29/23/765712923.db2.gz KEDJTUUKXBFLCO-ZNMIVQPWSA-N 1 3 326.485 0.679 20 0 ECADHO CN1CC[C@@H](NCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1=O ZINC001127344113 768336323 /nfs/dbraw/zinc/33/63/23/768336323.db2.gz GAJDRXMOISKOJF-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO CN1CC[C@@H](NCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1=O ZINC001127344113 768336329 /nfs/dbraw/zinc/33/63/29/768336329.db2.gz GAJDRXMOISKOJF-GOEBONIOSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000992316284 766253151 /nfs/dbraw/zinc/25/31/51/766253151.db2.gz BHKAPXPCSISOLE-UKRRQHHQSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000992316284 766253153 /nfs/dbraw/zinc/25/31/53/766253153.db2.gz BHKAPXPCSISOLE-UKRRQHHQSA-N 1 3 336.480 0.386 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001031660072 766377181 /nfs/dbraw/zinc/37/71/81/766377181.db2.gz CXDROPNUORPVMR-SJORKVTESA-N 1 3 349.479 0.165 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001031660072 766377191 /nfs/dbraw/zinc/37/71/91/766377191.db2.gz CXDROPNUORPVMR-SJORKVTESA-N 1 3 349.479 0.165 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000992390411 766462434 /nfs/dbraw/zinc/46/24/34/766462434.db2.gz AQAIGRMOWAKZIP-CWRNSKLLSA-N 1 3 336.480 0.528 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000992390411 766462437 /nfs/dbraw/zinc/46/24/37/766462437.db2.gz AQAIGRMOWAKZIP-CWRNSKLLSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(N[C@@]12CCC[C@H]1N(CCn1cncn1)CC2)C12CC[NH+](CC1)C2 ZINC000992413111 766518576 /nfs/dbraw/zinc/51/85/76/766518576.db2.gz TYUSNLABYFPYDG-CRAIPNDOSA-N 1 3 344.463 0.487 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1 ZINC001031715328 766716521 /nfs/dbraw/zinc/71/65/21/766716521.db2.gz RNLNAJNWSQUPGB-DLBZAZTESA-N 1 3 349.479 0.166 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1 ZINC001031715328 766716527 /nfs/dbraw/zinc/71/65/27/766716527.db2.gz RNLNAJNWSQUPGB-DLBZAZTESA-N 1 3 349.479 0.166 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1)N(C)C ZINC001046036537 766727509 /nfs/dbraw/zinc/72/75/09/766727509.db2.gz AVMFICDCLYQSLP-SJORKVTESA-N 1 3 340.512 0.174 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1)N(C)C ZINC001046036537 766727511 /nfs/dbraw/zinc/72/75/11/766727511.db2.gz AVMFICDCLYQSLP-SJORKVTESA-N 1 3 340.512 0.174 20 0 ECADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256662 766728011 /nfs/dbraw/zinc/72/80/11/766728011.db2.gz QMMLAYZBTOUZOC-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256662 766728022 /nfs/dbraw/zinc/72/80/22/766728022.db2.gz QMMLAYZBTOUZOC-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccn3cncc3c2)CC1 ZINC001016707832 766768406 /nfs/dbraw/zinc/76/84/06/766768406.db2.gz BHJYBIUAUMKQQK-CQSZACIVSA-N 1 3 327.388 0.404 20 0 ECADHO NC(=O)CN1CCC2(C[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016707832 766768411 /nfs/dbraw/zinc/76/84/11/766768411.db2.gz BHJYBIUAUMKQQK-CQSZACIVSA-N 1 3 327.388 0.404 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046084710 766926052 /nfs/dbraw/zinc/92/60/52/766926052.db2.gz HEXONHXCBMFSKB-IAGOWNOFSA-N 1 3 338.496 0.072 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046084710 766926054 /nfs/dbraw/zinc/92/60/54/766926054.db2.gz HEXONHXCBMFSKB-IAGOWNOFSA-N 1 3 338.496 0.072 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000994844276 766940566 /nfs/dbraw/zinc/94/05/66/766940566.db2.gz FRFBCRIKXQLPRI-UHFFFAOYSA-N 1 3 331.420 0.155 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CCC1 ZINC000994847545 766978434 /nfs/dbraw/zinc/97/84/34/766978434.db2.gz OCPBKAVCXKFOSQ-UHFFFAOYSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CCn1cncn1)CC2 ZINC001016830403 767006201 /nfs/dbraw/zinc/00/62/01/767006201.db2.gz RYCDZJWIHPTRAI-HZPDHXFCSA-N 1 3 346.479 0.733 20 0 ECADHO Cc1ccccc1CNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643684 767390098 /nfs/dbraw/zinc/39/00/98/767390098.db2.gz GQWFOEXPSFDBCZ-NVXWUHKLSA-N 1 3 346.475 0.657 20 0 ECADHO Cc1ccccc1CNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643684 767390106 /nfs/dbraw/zinc/39/01/06/767390106.db2.gz GQWFOEXPSFDBCZ-NVXWUHKLSA-N 1 3 346.475 0.657 20 0 ECADHO NC(=O)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001089830821 767391366 /nfs/dbraw/zinc/39/13/66/767391366.db2.gz HNKARYRHXOFHCC-VGWMRTNUSA-N 1 3 346.475 0.269 20 0 ECADHO CNC(=O)c1cccc(CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001127643773 767391708 /nfs/dbraw/zinc/39/17/08/767391708.db2.gz LARBTXIINIZPLR-CZUORRHYSA-N 1 3 332.448 0.592 20 0 ECADHO CNC(=O)c1cccc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001127643773 767391718 /nfs/dbraw/zinc/39/17/18/767391718.db2.gz LARBTXIINIZPLR-CZUORRHYSA-N 1 3 332.448 0.592 20 0 ECADHO O=C(NCC1C[NH+](C[C@@H]2CCCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031856622 767446191 /nfs/dbraw/zinc/44/61/91/767446191.db2.gz DTSZZOFSBPHAOB-GZZPIAKFSA-N 1 3 349.475 0.324 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)C1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001017103633 767588188 /nfs/dbraw/zinc/58/81/88/767588188.db2.gz KNEKAZBWXHVUFU-UHFFFAOYSA-N 1 3 333.436 0.400 20 0 ECADHO CN(C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCN(C)C1=O ZINC001017250739 767769864 /nfs/dbraw/zinc/76/98/64/767769864.db2.gz IZSGSQNIFXILSI-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633198 768530224 /nfs/dbraw/zinc/53/02/24/768530224.db2.gz CRCXLDRBKDXGNU-KLHDSHLOSA-N 1 3 329.485 0.264 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCOCCO ZINC001106665402 768578304 /nfs/dbraw/zinc/57/83/04/768578304.db2.gz VBYRLKGLZKLWFD-OWCLPIDISA-N 1 3 327.469 0.164 20 0 ECADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673814 768584751 /nfs/dbraw/zinc/58/47/51/768584751.db2.gz MTAJBRUOBHUKTM-KFWWJZLASA-N 1 3 326.485 0.537 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1)N(C)C ZINC001106673485 768588100 /nfs/dbraw/zinc/58/81/00/768588100.db2.gz FZOWXYCZKFGHGN-FMKPAKJESA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001018232369 768931655 /nfs/dbraw/zinc/93/16/55/768931655.db2.gz PDWLVVANWKVEFB-HIFRSBDPSA-N 1 3 347.463 0.790 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1)N(C)C ZINC001019032333 770609338 /nfs/dbraw/zinc/60/93/38/770609338.db2.gz QJINHMPVXKDIMB-CWRNSKLLSA-N 1 3 336.480 0.671 20 0 ECADHO CN(CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1)C1CCC1 ZINC001078411405 782895847 /nfs/dbraw/zinc/89/58/47/782895847.db2.gz LZIXZIZTQBKUOM-DOTOQJQBSA-N 1 3 339.480 0.714 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)cc1=O ZINC001019326507 771160457 /nfs/dbraw/zinc/16/04/57/771160457.db2.gz RGSJNIMLBOHANU-AWEZNQCLSA-N 1 3 349.431 0.681 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCCC2)C1)N(C)C ZINC001019397038 771247766 /nfs/dbraw/zinc/24/77/66/771247766.db2.gz GDBCBRGDDFBGIE-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001019494123 771359405 /nfs/dbraw/zinc/35/94/05/771359405.db2.gz AOIBTRPMJDARFU-UKRRQHHQSA-N 1 3 345.447 0.211 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001019494123 771359411 /nfs/dbraw/zinc/35/94/11/771359411.db2.gz AOIBTRPMJDARFU-UKRRQHHQSA-N 1 3 345.447 0.211 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056559190 771380993 /nfs/dbraw/zinc/38/09/93/771380993.db2.gz KKIOXICNQPRKPD-HZPDHXFCSA-N 1 3 347.463 0.886 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056559190 771381001 /nfs/dbraw/zinc/38/10/01/771381001.db2.gz KKIOXICNQPRKPD-HZPDHXFCSA-N 1 3 347.463 0.886 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001019655702 771675421 /nfs/dbraw/zinc/67/54/21/771675421.db2.gz WUFNYEXHRCYZRF-KGLIPLIRSA-N 1 3 349.431 0.681 20 0 ECADHO COc1coc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001019655702 771675424 /nfs/dbraw/zinc/67/54/24/771675424.db2.gz WUFNYEXHRCYZRF-KGLIPLIRSA-N 1 3 349.431 0.681 20 0 ECADHO COc1ncc(CN[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)c(C)n1 ZINC001019659458 771682712 /nfs/dbraw/zinc/68/27/12/771682712.db2.gz CEOMYKZHTLCMRF-HNNXBMFYSA-N 1 3 345.447 0.580 20 0 ECADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001019775011 771783534 /nfs/dbraw/zinc/78/35/34/771783534.db2.gz SEIIDSLTWSDKBQ-GJZGRUSLSA-N 1 3 343.493 0.098 20 0 ECADHO C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1CCCN1C ZINC001020123970 772186508 /nfs/dbraw/zinc/18/65/08/772186508.db2.gz ROGRXSITQZTNIK-KKUMJFAQSA-N 1 3 334.464 0.282 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3CC)C2)CC[N@@H+]1C ZINC001020174421 772242237 /nfs/dbraw/zinc/24/22/37/772242237.db2.gz AHNWXYIRQXRUQU-DARAHFNDSA-N 1 3 334.468 0.765 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3CC)C2)CC[N@H+]1C ZINC001020174421 772242239 /nfs/dbraw/zinc/24/22/39/772242239.db2.gz AHNWXYIRQXRUQU-DARAHFNDSA-N 1 3 334.468 0.765 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001020178623 772248128 /nfs/dbraw/zinc/24/81/28/772248128.db2.gz ACHHXUKUYPNTRQ-SRABZTEZSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001020178623 772248129 /nfs/dbraw/zinc/24/81/29/772248129.db2.gz ACHHXUKUYPNTRQ-SRABZTEZSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)ncn1 ZINC001020179276 772250993 /nfs/dbraw/zinc/25/09/93/772250993.db2.gz VCLMTLWKJTXRII-OTRWWLKZSA-N 1 3 345.447 0.385 20 0 ECADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)ncn1 ZINC001020179276 772250994 /nfs/dbraw/zinc/25/09/94/772250994.db2.gz VCLMTLWKJTXRII-OTRWWLKZSA-N 1 3 345.447 0.385 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2CC)C1 ZINC001020214543 772296314 /nfs/dbraw/zinc/29/63/14/772296314.db2.gz WKYZAUZPQNNKKT-DZKIICNBSA-N 1 3 334.468 0.909 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2CC)C1 ZINC001020214543 772296318 /nfs/dbraw/zinc/29/63/18/772296318.db2.gz WKYZAUZPQNNKKT-DZKIICNBSA-N 1 3 334.468 0.909 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001078468276 783007506 /nfs/dbraw/zinc/00/75/06/783007506.db2.gz BRUNYYOWQNKMQX-WBVHZDCISA-N 1 3 349.479 0.612 20 0 ECADHO Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C1)CC2 ZINC001020316590 772438046 /nfs/dbraw/zinc/43/80/46/772438046.db2.gz PHTIYUCASXFNEX-PWNZVWSESA-N 1 3 345.447 0.291 20 0 ECADHO Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C1)C2 ZINC001020316590 772438049 /nfs/dbraw/zinc/43/80/49/772438049.db2.gz PHTIYUCASXFNEX-PWNZVWSESA-N 1 3 345.447 0.291 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001078474577 783021559 /nfs/dbraw/zinc/02/15/59/783021559.db2.gz KOBVTIVEODEPAZ-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001078474577 783021565 /nfs/dbraw/zinc/02/15/65/783021565.db2.gz KOBVTIVEODEPAZ-GJZGRUSLSA-N 1 3 326.485 0.679 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020405745 772548800 /nfs/dbraw/zinc/54/88/00/772548800.db2.gz BLNHULSSMSBHMP-POMJBESUSA-N 1 3 346.431 0.583 20 0 ECADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020405745 772548803 /nfs/dbraw/zinc/54/88/03/772548803.db2.gz BLNHULSSMSBHMP-POMJBESUSA-N 1 3 346.431 0.583 20 0 ECADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751396 774578822 /nfs/dbraw/zinc/57/88/22/774578822.db2.gz SEJYSVHVDGIFLA-GJZGRUSLSA-N 1 3 347.463 0.934 20 0 ECADHO C[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044753477 774582230 /nfs/dbraw/zinc/58/22/30/774582230.db2.gz CULOTUHRNCGYNF-UONOGXRCSA-N 1 3 333.436 0.544 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045033407 774871804 /nfs/dbraw/zinc/87/18/04/774871804.db2.gz AKHYHJNRJSQWNB-HOCLYGCPSA-N 1 3 334.468 0.769 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045033407 774871811 /nfs/dbraw/zinc/87/18/11/774871811.db2.gz AKHYHJNRJSQWNB-HOCLYGCPSA-N 1 3 334.468 0.769 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001045134358 775036136 /nfs/dbraw/zinc/03/61/36/775036136.db2.gz QZBCFBDNVFTXMN-RDJZCZTQSA-N 1 3 346.479 0.770 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001079816612 776930580 /nfs/dbraw/zinc/93/05/80/776930580.db2.gz MCCKWTSVELEASS-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001079816612 776930584 /nfs/dbraw/zinc/93/05/84/776930584.db2.gz MCCKWTSVELEASS-HNNXBMFYSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001079945248 777123803 /nfs/dbraw/zinc/12/38/03/777123803.db2.gz IAZRZWQSHDRRRJ-KRWDZBQOSA-N 1 3 338.496 0.728 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)C1 ZINC001077685495 781510791 /nfs/dbraw/zinc/51/07/91/781510791.db2.gz VBHVGEHVNQHTIM-BZUAXINKSA-N 1 3 339.480 0.449 20 0 ECADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)C1 ZINC001077685495 781510798 /nfs/dbraw/zinc/51/07/98/781510798.db2.gz VBHVGEHVNQHTIM-BZUAXINKSA-N 1 3 339.480 0.449 20 0 ECADHO C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(CCN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001041606648 781840027 /nfs/dbraw/zinc/84/00/27/781840027.db2.gz SYKBJDHFEXMZBQ-FZKQIMNGSA-N 1 3 348.447 0.753 20 0 ECADHO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)c3occc3CN(C)C)C2)C1 ZINC001041606648 781840036 /nfs/dbraw/zinc/84/00/36/781840036.db2.gz SYKBJDHFEXMZBQ-FZKQIMNGSA-N 1 3 348.447 0.753 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070918808 784113608 /nfs/dbraw/zinc/11/36/08/784113608.db2.gz QAQNJCJHFLKYNM-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070918808 784113614 /nfs/dbraw/zinc/11/36/14/784113614.db2.gz QAQNJCJHFLKYNM-HUUCEWRRSA-N 1 3 338.496 0.776 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001071074248 784519307 /nfs/dbraw/zinc/51/93/07/784519307.db2.gz YDLXQRYDYCZHSC-OAGGEKHMSA-N 1 3 336.480 0.528 20 0 ECADHO CC1CCN(CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)CC1 ZINC001070705502 784572188 /nfs/dbraw/zinc/57/21/88/784572188.db2.gz YNDNMPOMIXFEIG-HZPDHXFCSA-N 1 3 349.479 0.028 20 0 ECADHO C[NH+](C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001070756360 784656135 /nfs/dbraw/zinc/65/61/35/784656135.db2.gz LQCCLJQMDYZCFE-WBVHZDCISA-N 1 3 336.480 0.530 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001071200136 784722063 /nfs/dbraw/zinc/72/20/63/784722063.db2.gz VZDNNOGFNTXPHA-OAHLLOKOSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001071203297 784727378 /nfs/dbraw/zinc/72/73/78/784727378.db2.gz XJZYETJZXGDVMD-HUUCEWRRSA-N 1 3 326.485 0.776 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001071343972 784984671 /nfs/dbraw/zinc/98/46/71/784984671.db2.gz NKNSSTDZDIHQNC-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001071343972 784984675 /nfs/dbraw/zinc/98/46/75/784984675.db2.gz NKNSSTDZDIHQNC-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1nncn1C ZINC001072356766 786072741 /nfs/dbraw/zinc/07/27/41/786072741.db2.gz PATZSWASFKYAGM-GOEBONIOSA-N 1 3 348.495 0.731 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001072433442 786178300 /nfs/dbraw/zinc/17/83/00/786178300.db2.gz WIEWKQOMXPHTQY-LSDHHAIUSA-N 1 3 336.480 0.386 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001072481879 786256307 /nfs/dbraw/zinc/25/63/07/786256307.db2.gz WQUFIDPNDMBHDI-GDBMZVCRSA-N 1 3 338.496 0.633 20 0 ECADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CN(CCO)CCCO2)cc1 ZINC001073821388 787268001 /nfs/dbraw/zinc/26/80/01/787268001.db2.gz IUSQUZMYKRLPHN-QGZVFWFLSA-N 1 3 335.448 0.561 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)[C@@H]1C)N(C)C ZINC001074709849 787655705 /nfs/dbraw/zinc/65/57/05/787655705.db2.gz SQXOPPMTZBVLTJ-YHUYYLMFSA-N 1 3 338.496 0.915 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001074160675 787967110 /nfs/dbraw/zinc/96/71/10/787967110.db2.gz DAOPHBDEYXBSNA-DZGCQCFKSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@H]1[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074803718 788357614 /nfs/dbraw/zinc/35/76/14/788357614.db2.gz LQYWMOXXOKYNBP-QSPRXWTASA-N 1 3 348.491 0.813 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)[C@@H]1C)N(C)C ZINC001074885756 788488042 /nfs/dbraw/zinc/48/80/42/788488042.db2.gz VTMRZCKZUGHTAV-XGUBFFRZSA-N 1 3 345.509 0.340 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001072669288 788551185 /nfs/dbraw/zinc/55/11/85/788551185.db2.gz VOCWJEBGPIONMP-GDBMZVCRSA-N 1 3 338.496 0.632 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072756197 788728826 /nfs/dbraw/zinc/72/88/26/788728826.db2.gz MSUZOEMWZFPDBM-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)CC[NH+](C)C ZINC001075035101 788766246 /nfs/dbraw/zinc/76/62/46/788766246.db2.gz YBVVYBHZRRYYDH-HUUCEWRRSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)c1nc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075107172 788915219 /nfs/dbraw/zinc/91/52/19/788915219.db2.gz VDCIPAXQVMOMJV-IHRRRGAJSA-N 1 3 334.468 0.959 20 0 ECADHO CC(C)c1nc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075107172 788915222 /nfs/dbraw/zinc/91/52/22/788915222.db2.gz VDCIPAXQVMOMJV-IHRRRGAJSA-N 1 3 334.468 0.959 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCc1ccnn1C)C2 ZINC001072979610 789204252 /nfs/dbraw/zinc/20/42/52/789204252.db2.gz FOXHJXIVUCFBJY-MRXNPFEDSA-N 1 3 345.491 0.981 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCc1ccnn1C)C2 ZINC001072979610 789204259 /nfs/dbraw/zinc/20/42/59/789204259.db2.gz FOXHJXIVUCFBJY-MRXNPFEDSA-N 1 3 345.491 0.981 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072981193 789207300 /nfs/dbraw/zinc/20/73/00/789207300.db2.gz AHVGHQMZGZFERQ-GJZGRUSLSA-N 1 3 332.452 0.010 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072981193 789207303 /nfs/dbraw/zinc/20/73/03/789207303.db2.gz AHVGHQMZGZFERQ-GJZGRUSLSA-N 1 3 332.452 0.010 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCCN(C)C2=O)C3)C1 ZINC001072983431 789218536 /nfs/dbraw/zinc/21/85/36/789218536.db2.gz WFVLHKXQCLTQEA-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN([C@H]2CCCN(C)C2=O)C3)C1 ZINC001072983431 789218540 /nfs/dbraw/zinc/21/85/40/789218540.db2.gz WFVLHKXQCLTQEA-CVEARBPZSA-N 1 3 348.491 0.483 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C)c(=O)c1)C2)N(C)C ZINC001072990760 789237185 /nfs/dbraw/zinc/23/71/85/789237185.db2.gz FBKOMXIBJNWGJN-INIZCTEOSA-N 1 3 346.475 0.760 20 0 ECADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C)c(=O)c1)C2)N(C)C ZINC001072990760 789237189 /nfs/dbraw/zinc/23/71/89/789237189.db2.gz FBKOMXIBJNWGJN-INIZCTEOSA-N 1 3 346.475 0.760 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2OCCC[C@@H]2[NH2+]CCO)CC1 ZINC001075415937 789344071 /nfs/dbraw/zinc/34/40/71/789344071.db2.gz QTBPREKYZWMVAE-DOTOQJQBSA-N 1 3 336.436 0.320 20 0 ECADHO CC1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCn2cncn2)C3)CC1 ZINC001073077045 789398743 /nfs/dbraw/zinc/39/87/43/789398743.db2.gz CKHAUDCRFSNBLO-UHFFFAOYSA-N 1 3 346.479 0.544 20 0 ECADHO CC1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCn2cncn2)C3)CC1 ZINC001073077045 789398750 /nfs/dbraw/zinc/39/87/50/789398750.db2.gz CKHAUDCRFSNBLO-UHFFFAOYSA-N 1 3 346.479 0.544 20 0 ECADHO CCCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928445 790200126 /nfs/dbraw/zinc/20/01/26/790200126.db2.gz DXPPVRWJZUQBSJ-BBWFWOEESA-N 1 3 346.479 0.762 20 0 ECADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069929180 790201367 /nfs/dbraw/zinc/20/13/67/790201367.db2.gz ZIKWXNZGZYBVOK-ZACQAIPSSA-N 1 3 346.479 0.617 20 0 ECADHO CCC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001067876954 792409514 /nfs/dbraw/zinc/40/95/14/792409514.db2.gz VHDLNHVKEDQPPD-UHFFFAOYSA-N 1 3 337.468 0.991 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001067876954 792409519 /nfs/dbraw/zinc/40/95/19/792409519.db2.gz VHDLNHVKEDQPPD-UHFFFAOYSA-N 1 3 337.468 0.991 20 0 ECADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001267428987 837399377 /nfs/dbraw/zinc/39/93/77/837399377.db2.gz JTTGTWZLDKUMQX-VXGBXAGGSA-N 1 3 325.375 0.690 20 0 ECADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCS(=O)(=O)C1)N(C)C ZINC001267458582 837446374 /nfs/dbraw/zinc/44/63/74/837446374.db2.gz HWHLPCYRNYIQKM-HUUCEWRRSA-N 1 3 347.525 0.445 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001408645649 837729635 /nfs/dbraw/zinc/72/96/35/837729635.db2.gz ZOSHROOTKSSJOQ-UHFFFAOYSA-N 1 3 335.452 0.711 20 0 ECADHO CN(CCOCCNCc1ccnn1C)C(=O)C1CC[NH+](C)CC1 ZINC001279436552 835988348 /nfs/dbraw/zinc/98/83/48/835988348.db2.gz JQAQHBDBDXCOAC-UHFFFAOYSA-N 1 3 337.468 0.327 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC001266706122 836173595 /nfs/dbraw/zinc/17/35/95/836173595.db2.gz DLCLNGSAQHDGGP-LSDHHAIUSA-N 1 3 340.512 0.927 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NCC(C)(C)C)CC[N@H+]1C ZINC001266706122 836173602 /nfs/dbraw/zinc/17/36/02/836173602.db2.gz DLCLNGSAQHDGGP-LSDHHAIUSA-N 1 3 340.512 0.927 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001266817406 836343567 /nfs/dbraw/zinc/34/35/67/836343567.db2.gz QIUGKQVPHITZMD-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CCCN1CCCC1=O ZINC001266877234 836423236 /nfs/dbraw/zinc/42/32/36/836423236.db2.gz JEDGLQVOPRVYAK-MRXNPFEDSA-N 1 3 347.463 0.935 20 0 ECADHO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001267171927 836904925 /nfs/dbraw/zinc/90/49/25/836904925.db2.gz QZLRNIUABWMQLI-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001267171927 836904932 /nfs/dbraw/zinc/90/49/32/836904932.db2.gz QZLRNIUABWMQLI-JKSUJKDBSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001023124263 837095392 /nfs/dbraw/zinc/09/53/92/837095392.db2.gz DRTJQADNRGCXTR-GEEKYZPCSA-N 1 3 336.480 0.718 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001408829504 838577301 /nfs/dbraw/zinc/57/73/01/838577301.db2.gz SKZNTFCGQXISBC-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001408829504 838577303 /nfs/dbraw/zinc/57/73/03/838577303.db2.gz SKZNTFCGQXISBC-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H](C(C)C)N(C)C ZINC001408869564 838864186 /nfs/dbraw/zinc/86/41/86/838864186.db2.gz YKMDKJVXPMXRAW-HOTGVXAUSA-N 1 3 340.512 0.879 20 0 ECADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H](C(C)C)N(C)C ZINC001408869564 838864188 /nfs/dbraw/zinc/86/41/88/838864188.db2.gz YKMDKJVXPMXRAW-HOTGVXAUSA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccc(F)cc1 ZINC000418771866 282132004 /nfs/dbraw/zinc/13/20/04/282132004.db2.gz WNIREBZDNVCTDN-HOTGVXAUSA-N 1 3 337.443 0.631 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419022311 290645150 /nfs/dbraw/zinc/64/51/50/290645150.db2.gz IDKDIQGOPPKLBE-RBSFLKMASA-N 1 3 326.485 0.537 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)N1CCC[C@@H](C)C1 ZINC000354652664 299086482 /nfs/dbraw/zinc/08/64/82/299086482.db2.gz DRNFVZSWZQOLBP-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Cc1ccccc1 ZINC000418850813 282236894 /nfs/dbraw/zinc/23/68/94/282236894.db2.gz ORXFWCJDMHFFPK-IKGGRYGDSA-N 1 3 344.459 0.096 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000410474076 282251721 /nfs/dbraw/zinc/25/17/21/282251721.db2.gz WLBSCXHLDNDTFC-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000410474076 282251723 /nfs/dbraw/zinc/25/17/23/282251723.db2.gz WLBSCXHLDNDTFC-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000420036143 282251917 /nfs/dbraw/zinc/25/19/17/282251917.db2.gz FHHBRGAHEUIYFK-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO O=C(NCCNc1ccncc1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000426534867 210154803 /nfs/dbraw/zinc/15/48/03/210154803.db2.gz YWCSHEYJMHFEBT-IAGOWNOFSA-N 1 3 347.463 0.592 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000425941042 210124229 /nfs/dbraw/zinc/12/42/29/210124229.db2.gz YLOPLVFOTDQERZ-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000425941042 210124231 /nfs/dbraw/zinc/12/42/31/210124231.db2.gz YLOPLVFOTDQERZ-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354787127 299127038 /nfs/dbraw/zinc/12/70/38/299127038.db2.gz KSPPXMMMPDXEAJ-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354797047 299130103 /nfs/dbraw/zinc/13/01/03/299130103.db2.gz SDYSIIRQMPNLDE-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424013432 209866896 /nfs/dbraw/zinc/86/68/96/209866896.db2.gz RRBDLILTOSGSNJ-LZWOXQAQSA-N 1 3 336.411 0.178 20 0 ECADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000354965004 299174050 /nfs/dbraw/zinc/17/40/50/299174050.db2.gz RRBCNBRMNGFVOX-JKSUJKDBSA-N 1 3 338.496 0.918 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C[C@@H]21 ZINC000410712864 283079673 /nfs/dbraw/zinc/07/96/73/283079673.db2.gz PJPYDNOUNLKTLD-IKGGRYGDSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C[C@@H]21 ZINC000460016320 283079950 /nfs/dbraw/zinc/07/99/50/283079950.db2.gz MTWFOTZEIFFGQF-OAGGEKHMSA-N 1 3 334.464 0.236 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419762537 283166052 /nfs/dbraw/zinc/16/60/52/283166052.db2.gz LYRNSCZNSPGTBR-STQMWFEESA-N 1 3 328.457 0.064 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419762537 283166056 /nfs/dbraw/zinc/16/60/56/283166056.db2.gz LYRNSCZNSPGTBR-STQMWFEESA-N 1 3 328.457 0.064 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CN3CCCC3)C2)C1 ZINC000460080671 283166245 /nfs/dbraw/zinc/16/62/45/283166245.db2.gz WHCBVSCHNFHLDC-LPHOPBHVSA-N 1 3 348.491 0.627 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CN3CCCC3)C2)C1 ZINC000460080671 283166247 /nfs/dbraw/zinc/16/62/47/283166247.db2.gz WHCBVSCHNFHLDC-LPHOPBHVSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419475836 291113935 /nfs/dbraw/zinc/11/39/35/291113935.db2.gz FMGKRKLYWMQFHE-HOTGVXAUSA-N 1 3 338.496 0.683 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423418881 283231728 /nfs/dbraw/zinc/23/17/28/283231728.db2.gz VAUCSFHRLXXSCW-QGZVFWFLSA-N 1 3 326.485 0.764 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000420429088 209364447 /nfs/dbraw/zinc/36/44/47/209364447.db2.gz ZNKDBUUQRQLCDE-AWEZNQCLSA-N 1 3 343.497 0.339 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000420130780 209315450 /nfs/dbraw/zinc/31/54/50/209315450.db2.gz WKJCYSYHMQCZCO-MRXNPFEDSA-N 1 3 338.496 0.955 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000420104535 209307342 /nfs/dbraw/zinc/30/73/42/209307342.db2.gz PKAKFCQLQZIMHR-RVKKMQEKSA-N 1 3 338.496 0.729 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420106163 209306925 /nfs/dbraw/zinc/30/69/25/209306925.db2.gz UHNPRGWTCBPXER-UHFFFAOYSA-N 1 3 344.459 0.849 20 0 ECADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420096427 209304278 /nfs/dbraw/zinc/30/42/78/209304278.db2.gz INLYUCYAVSYIDV-RKVPGOIHSA-N 1 3 338.496 0.871 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420058549 209292534 /nfs/dbraw/zinc/29/25/34/209292534.db2.gz FFCVKOXDWBGJBV-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420058549 209292535 /nfs/dbraw/zinc/29/25/35/209292535.db2.gz FFCVKOXDWBGJBV-HOTGVXAUSA-N 1 3 338.496 0.953 20 0 ECADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000419967669 209264705 /nfs/dbraw/zinc/26/47/05/209264705.db2.gz BPXONBKFWMQQFM-HUUCEWRRSA-N 1 3 326.485 0.714 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000419954138 209259680 /nfs/dbraw/zinc/25/96/80/209259680.db2.gz QAHRSNCTKIKGSH-ZDUSSCGKSA-N 1 3 338.452 0.450 20 0 ECADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419953170 209258310 /nfs/dbraw/zinc/25/83/10/209258310.db2.gz PISWOLMMIKYICG-UHFFFAOYSA-N 1 3 346.475 0.345 20 0 ECADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCSC1 ZINC000419592863 209134825 /nfs/dbraw/zinc/13/48/25/209134825.db2.gz XKBDZCHLNRTRPY-CVEARBPZSA-N 1 3 342.509 0.046 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419919431 209248897 /nfs/dbraw/zinc/24/88/97/209248897.db2.gz VSABBNOCTKKRMW-INIZCTEOSA-N 1 3 332.448 0.745 20 0 ECADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419915836 209247551 /nfs/dbraw/zinc/24/75/51/209247551.db2.gz PVSLWLRENQYLPX-HZPDHXFCSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000419728623 209190236 /nfs/dbraw/zinc/19/02/36/209190236.db2.gz YQVVOHAEQJYEJB-RHSMWYFYSA-N 1 3 344.459 0.573 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000419692527 209172609 /nfs/dbraw/zinc/17/26/09/209172609.db2.gz HAFRPZREDRKETG-ARFHVFGLSA-N 1 3 338.496 0.870 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419655480 209160715 /nfs/dbraw/zinc/16/07/15/209160715.db2.gz HIXGHTLBCHWYPT-CYBMUJFWSA-N 1 3 336.436 0.097 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419654475 209159250 /nfs/dbraw/zinc/15/92/50/209159250.db2.gz GNLDVVNPRVEDMT-NVXWUHKLSA-N 1 3 346.475 0.881 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419654559 209159300 /nfs/dbraw/zinc/15/93/00/209159300.db2.gz ZYLLPNWMNOTOGK-CJNGLKHVSA-N 1 3 332.448 0.479 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000419638085 209153736 /nfs/dbraw/zinc/15/37/36/209153736.db2.gz IMZVHSARXYMAOO-UHFFFAOYSA-N 1 3 346.475 0.870 20 0 ECADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419581672 209132164 /nfs/dbraw/zinc/13/21/64/209132164.db2.gz JQIRFSGZJGMBFG-HEHGZKQESA-N 1 3 342.509 0.268 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)C(C)(C)C[NH+](C)C ZINC000419545677 209122035 /nfs/dbraw/zinc/12/20/35/209122035.db2.gz MWKBRTZMMMVKPM-MCIONIFRSA-N 1 3 326.485 0.665 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000419507714 209111849 /nfs/dbraw/zinc/11/18/49/209111849.db2.gz PMKJZQMGDFDWAD-WBVHZDCISA-N 1 3 344.459 0.478 20 0 ECADHO NC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000419507714 209111852 /nfs/dbraw/zinc/11/18/52/209111852.db2.gz PMKJZQMGDFDWAD-WBVHZDCISA-N 1 3 344.459 0.478 20 0 ECADHO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H](N2CCCC2)C1 ZINC000261686373 296279723 /nfs/dbraw/zinc/27/97/23/296279723.db2.gz NEFRGTINFUNKHN-HNNXBMFYSA-N 1 3 332.452 0.903 20 0 ECADHO CC1CCN(C[C@@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000447822846 211209727 /nfs/dbraw/zinc/20/97/27/211209727.db2.gz SOKJIFVDXHXKCZ-HNNXBMFYSA-N 1 3 345.443 0.965 20 0 ECADHO COC[C@H](C)OC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000447295838 211181500 /nfs/dbraw/zinc/18/15/00/211181500.db2.gz MPHUSCDYXDAVTD-BQFCYCMXSA-N 1 3 343.512 0.499 20 0 ECADHO COC[C@H](C)OC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000447311005 211182145 /nfs/dbraw/zinc/18/21/45/211182145.db2.gz DMEKRJACASYNDR-WNRNVDISSA-N 1 3 343.512 0.357 20 0 ECADHO CC(CN(C)CC1(O)CCOCC1)C[N@H+](C)CC1(O)CCOCC1 ZINC000444754161 211095018 /nfs/dbraw/zinc/09/50/18/211095018.db2.gz RULJKHYARURMCA-UHFFFAOYSA-N 1 3 344.496 0.569 20 0 ECADHO CC(CN(C)CC1(O)CCOCC1)C[N@@H+](C)CC1(O)CCOCC1 ZINC000444754161 211095020 /nfs/dbraw/zinc/09/50/20/211095020.db2.gz RULJKHYARURMCA-UHFFFAOYSA-N 1 3 344.496 0.569 20 0 ECADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444267436 211065222 /nfs/dbraw/zinc/06/52/22/211065222.db2.gz GPDCRQHJZZEVIT-HKUYNNGSSA-N 1 3 343.475 0.710 20 0 ECADHO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCN2CCN(CC)CC2)C1(C)C ZINC000444268009 211064689 /nfs/dbraw/zinc/06/46/89/211064689.db2.gz RHCCPZPVTYNTKG-WMLDXEAASA-N 1 3 326.485 0.273 20 0 ECADHO CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CCN(CCn2cccn2)CC1 ZINC000444272709 211064277 /nfs/dbraw/zinc/06/42/77/211064277.db2.gz YLJVBMMVIQSUSP-WMZOPIPTSA-N 1 3 331.464 0.806 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1NCCc2ccccc21 ZINC000357240581 299544479 /nfs/dbraw/zinc/54/44/79/299544479.db2.gz LPGXUCGUBMAKAD-CVEARBPZSA-N 1 3 330.432 0.248 20 0 ECADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1)N(C)C ZINC000413787449 208352520 /nfs/dbraw/zinc/35/25/20/208352520.db2.gz GHFUPMMXECEZJN-ZIAGYGMSSA-N 1 3 326.485 0.822 20 0 ECADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H](CC)[NH+](C)C)CCC1)N(C)C ZINC000413787449 208352521 /nfs/dbraw/zinc/35/25/21/208352521.db2.gz GHFUPMMXECEZJN-ZIAGYGMSSA-N 1 3 326.485 0.822 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CNCCO2)[C@@H](C)C1 ZINC000430708836 210396907 /nfs/dbraw/zinc/39/69/07/210396907.db2.gz VBOQWPNLMRLHHC-XHSDSOJGSA-N 1 3 327.469 0.618 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CNCCO2)[C@@H](C)C1 ZINC000430708836 210396910 /nfs/dbraw/zinc/39/69/10/210396910.db2.gz VBOQWPNLMRLHHC-XHSDSOJGSA-N 1 3 327.469 0.618 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419477481 209104987 /nfs/dbraw/zinc/10/49/87/209104987.db2.gz IDBOORXSELKIDM-OWCLPIDISA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419477481 209104990 /nfs/dbraw/zinc/10/49/90/209104990.db2.gz IDBOORXSELKIDM-OWCLPIDISA-N 1 3 338.496 0.810 20 0 ECADHO CN(C)CCOCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000471641822 254814973 /nfs/dbraw/zinc/81/49/73/254814973.db2.gz HBSQGIGSDHTURM-UHFFFAOYSA-N 1 3 342.484 0.509 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C(=O)N(C)C ZINC000246111365 285244845 /nfs/dbraw/zinc/24/48/45/285244845.db2.gz HUJIDJJQOKUFSI-HUUCEWRRSA-N 1 3 341.500 0.521 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C(=O)N(C)C ZINC000246111365 285244846 /nfs/dbraw/zinc/24/48/46/285244846.db2.gz HUJIDJJQOKUFSI-HUUCEWRRSA-N 1 3 341.500 0.521 20 0 ECADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419429491 209092626 /nfs/dbraw/zinc/09/26/26/209092626.db2.gz UVKPCMURHMZNPI-LSDHHAIUSA-N 1 3 326.485 0.809 20 0 ECADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419170096 209010073 /nfs/dbraw/zinc/01/00/73/209010073.db2.gz NBLZSDSZIUPULK-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCCC[NH3+] ZINC000419170914 209010688 /nfs/dbraw/zinc/01/06/88/209010688.db2.gz SNWVSBXGKBVUQE-INIZCTEOSA-N 1 3 334.464 0.724 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419176176 209013341 /nfs/dbraw/zinc/01/33/41/209013341.db2.gz YXGNOEKAXBPOMJ-QAPCUYQASA-N 1 3 338.496 0.955 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000419199579 209021277 /nfs/dbraw/zinc/02/12/77/209021277.db2.gz DRIUBFOUIUPMEP-CYBMUJFWSA-N 1 3 336.436 0.049 20 0 ECADHO NCCNC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000419202998 209022756 /nfs/dbraw/zinc/02/27/56/209022756.db2.gz HDHSMPQJGRJDEG-UHFFFAOYSA-N 1 3 332.448 0.754 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000419221000 209030700 /nfs/dbraw/zinc/03/07/00/209030700.db2.gz ALSQUICETRVNOH-GOEBONIOSA-N 1 3 332.448 0.478 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419224154 209032288 /nfs/dbraw/zinc/03/22/88/209032288.db2.gz FHSDIPDQHBGNEJ-JKSUJKDBSA-N 1 3 336.480 0.625 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000419230276 209034233 /nfs/dbraw/zinc/03/42/33/209034233.db2.gz PPGBRXQWOPMGRM-SOUVJXGZSA-N 1 3 346.475 0.723 20 0 ECADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419227835 209034448 /nfs/dbraw/zinc/03/44/48/209034448.db2.gz LIOHEZITEISPAF-JYJNAYRXSA-N 1 3 336.480 0.611 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCC1 ZINC000419235320 209037190 /nfs/dbraw/zinc/03/71/90/209037190.db2.gz JGNBVEWCZPRYDG-UHFFFAOYSA-N 1 3 332.448 0.574 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CCC1 ZINC000419240801 209038664 /nfs/dbraw/zinc/03/86/64/209038664.db2.gz PNINSUVIHJNMTB-UHFFFAOYSA-N 1 3 336.480 0.578 20 0 ECADHO C[NH+]1CCC(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000119776712 221398886 /nfs/dbraw/zinc/39/88/86/221398886.db2.gz XQYGGPJVSNCWLD-SFHVURJKSA-N 1 3 331.460 0.864 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419377140 209072678 /nfs/dbraw/zinc/07/26/78/209072678.db2.gz TXGVLYGQEXCJDL-MRXNPFEDSA-N 1 3 344.459 0.152 20 0 ECADHO CC(=O)NCc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000103211361 296634709 /nfs/dbraw/zinc/63/47/09/296634709.db2.gz IGZQWGDAPSHONU-UHFFFAOYSA-N 1 3 334.464 0.888 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324778 292372646 /nfs/dbraw/zinc/37/26/46/292372646.db2.gz HPORXZOTWMRHPZ-CABCVRRESA-N 1 3 333.498 0.264 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCC1CC[NH2+]CC1 ZINC000237017596 165093551 /nfs/dbraw/zinc/09/35/51/165093551.db2.gz QSSIHPMXYDIONP-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262018669 165276101 /nfs/dbraw/zinc/27/61/01/165276101.db2.gz OPYNPMYKTMQGIB-JHJVBQTASA-N 1 3 336.402 0.812 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N(CCC[NH3+])Cc2ccccc2)CC1=O ZINC000262305237 165325684 /nfs/dbraw/zinc/32/56/84/165325684.db2.gz AFDRJDWUGABCQH-QGZVFWFLSA-N 1 3 346.475 0.774 20 0 ECADHO CCC[C@](C)(N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000262503534 165356274 /nfs/dbraw/zinc/35/62/74/165356274.db2.gz FLWISSSNHWWPEM-AWEZNQCLSA-N 1 3 328.438 0.380 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC1=O ZINC000262598818 165365855 /nfs/dbraw/zinc/36/58/55/165365855.db2.gz WMVKWLQFSKMPBJ-OWCLPIDISA-N 1 3 336.480 0.435 20 0 ECADHO COCCN1CCC(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262706974 165376120 /nfs/dbraw/zinc/37/61/20/165376120.db2.gz DMJIWHJYNAODLY-HNNXBMFYSA-N 1 3 335.452 0.648 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419377710 209074150 /nfs/dbraw/zinc/07/41/50/209074150.db2.gz UIFKFYUUMAHFAX-CQSZACIVSA-N 1 3 346.475 0.174 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000419403040 209081843 /nfs/dbraw/zinc/08/18/43/209081843.db2.gz DCAQKQUKUBFKHS-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419410594 209085466 /nfs/dbraw/zinc/08/54/66/209085466.db2.gz AQVVQJDTBLERKD-UHFFFAOYSA-N 1 3 346.475 0.619 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000331495318 296937129 /nfs/dbraw/zinc/93/71/29/296937129.db2.gz YWRHQZPIYCLHBJ-CABCVRRESA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@H]1N(C)C ZINC000331771566 296967581 /nfs/dbraw/zinc/96/75/81/296967581.db2.gz QEXHHUJNVMEMGP-FXUDXRNXSA-N 1 3 336.480 0.243 20 0 ECADHO CNC(=O)NC(=O)CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962131 263149704 /nfs/dbraw/zinc/14/97/04/263149704.db2.gz UZQJOEZVZAQMGG-UHFFFAOYSA-N 1 3 326.441 0.409 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000272664679 263361001 /nfs/dbraw/zinc/36/10/01/263361001.db2.gz IRWVNEIQDBWTSO-UHFFFAOYSA-N 1 3 338.452 0.720 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000272664679 263361003 /nfs/dbraw/zinc/36/10/03/263361003.db2.gz IRWVNEIQDBWTSO-UHFFFAOYSA-N 1 3 338.452 0.720 20 0 ECADHO CN(CCNC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000283333854 264107617 /nfs/dbraw/zinc/10/76/17/264107617.db2.gz CUGFMMRPMRZJLB-UHFFFAOYSA-N 1 3 346.475 0.835 20 0 ECADHO CN(CCNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000283333854 264107619 /nfs/dbraw/zinc/10/76/19/264107619.db2.gz 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ZINC000419950182 279134277 /nfs/dbraw/zinc/13/42/77/279134277.db2.gz HYKILAHSSUCTCJ-HUUCEWRRSA-N 1 3 326.485 0.809 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436295957 289020286 /nfs/dbraw/zinc/02/02/86/289020286.db2.gz IJPSDHRNTGTGPT-IIDMSEBBSA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000332535163 297050089 /nfs/dbraw/zinc/05/00/89/297050089.db2.gz ABPCBUZBVXONFZ-HZPDHXFCSA-N 1 3 336.480 0.672 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000332583836 297055337 /nfs/dbraw/zinc/05/53/37/297055337.db2.gz CUWDPZLUGFFHQF-ZJIFWQFVSA-N 1 3 336.480 0.657 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000333495664 297138198 /nfs/dbraw/zinc/13/81/98/297138198.db2.gz DTQWJEQVLVZAEH-MRXNPFEDSA-N 1 3 349.479 0.244 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000338836712 297300074 /nfs/dbraw/zinc/30/00/74/297300074.db2.gz 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ZINC000339635468 297367034 /nfs/dbraw/zinc/36/70/34/297367034.db2.gz ZCBWFFAZVQHVIZ-HNNXBMFYSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@H]1N(C)C ZINC000339743843 297376689 /nfs/dbraw/zinc/37/66/89/297376689.db2.gz WQQXZCRAVTUTJZ-WMLDXEAASA-N 1 3 346.475 0.773 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000339743075 297376752 /nfs/dbraw/zinc/37/67/52/297376752.db2.gz OSFYUSQVGUQRGU-KRWDZBQOSA-N 1 3 346.475 0.775 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000339743075 297376754 /nfs/dbraw/zinc/37/67/54/297376754.db2.gz OSFYUSQVGUQRGU-KRWDZBQOSA-N 1 3 346.475 0.775 20 0 ECADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000339952823 297411816 /nfs/dbraw/zinc/41/18/16/297411816.db2.gz KJZVIVCDAGAPDP-GDBMZVCRSA-N 1 3 336.480 0.718 20 0 ECADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000344635474 298047308 /nfs/dbraw/zinc/04/73/08/298047308.db2.gz LJTJNWVOQJWBER-AEFFLSMTSA-N 1 3 346.475 0.285 20 0 ECADHO CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000345062248 298112622 /nfs/dbraw/zinc/11/26/22/298112622.db2.gz IWWNZFLYALWKPP-BZSNNMDCSA-N 1 3 328.460 0.938 20 0 ECADHO CN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000345062248 298112624 /nfs/dbraw/zinc/11/26/24/298112624.db2.gz IWWNZFLYALWKPP-BZSNNMDCSA-N 1 3 328.460 0.938 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000345502147 298164851 /nfs/dbraw/zinc/16/48/51/298164851.db2.gz GTQSXPIHLOMECS-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000345502147 298164855 /nfs/dbraw/zinc/16/48/55/298164855.db2.gz GTQSXPIHLOMECS-OWCLPIDISA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCN(CCC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000345636762 298177245 /nfs/dbraw/zinc/17/72/45/298177245.db2.gz KCNXWNBZQQAOIZ-UHFFFAOYSA-N 1 3 340.512 0.583 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000346302200 298253771 /nfs/dbraw/zinc/25/37/71/298253771.db2.gz BODYPDOHEUGKRU-SJORKVTESA-N 1 3 340.512 0.485 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000346540112 298290045 /nfs/dbraw/zinc/29/00/45/298290045.db2.gz WYUHKQQBJBBSLY-UKRRQHHQSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000353059205 299007380 /nfs/dbraw/zinc/00/73/80/299007380.db2.gz UVJZNAMVELZYRC-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000353059205 299007383 /nfs/dbraw/zinc/00/73/83/299007383.db2.gz UVJZNAMVELZYRC-UHFFFAOYSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184965247 300035657 /nfs/dbraw/zinc/03/56/57/300035657.db2.gz DKJPHTASQDVXNF-UAGQMJEPSA-N 1 3 346.475 0.991 20 0 ECADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCOCC1 ZINC000362966737 300237241 /nfs/dbraw/zinc/23/72/41/300237241.db2.gz HXDMZDZUDSKEEM-GJZGRUSLSA-N 1 3 340.468 0.260 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363552402 300275456 /nfs/dbraw/zinc/27/54/56/300275456.db2.gz ZPBMPBZYKWCPKP-UHFFFAOYSA-N 1 3 342.484 0.461 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000363552402 300275458 /nfs/dbraw/zinc/27/54/58/300275458.db2.gz ZPBMPBZYKWCPKP-UHFFFAOYSA-N 1 3 342.484 0.461 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)c1 ZINC000364871317 300396304 /nfs/dbraw/zinc/39/63/04/300396304.db2.gz ZUQMFBFVDRASAX-QGZVFWFLSA-N 1 3 336.411 0.296 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000073904923 436097425 /nfs/dbraw/zinc/09/74/25/436097425.db2.gz SSEMPDWNDMAPFX-HOTGVXAUSA-N 1 3 327.517 0.899 20 0 ECADHO C[C@H](CNC(=O)N1CCN(CC2CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000074655964 436130933 /nfs/dbraw/zinc/13/09/33/436130933.db2.gz UOOZIHZPCACIFZ-MRXNPFEDSA-N 1 3 337.512 0.607 20 0 ECADHO NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000373895365 301086639 /nfs/dbraw/zinc/08/66/39/301086639.db2.gz XAAGQNMPKDAJJZ-HOTGVXAUSA-N 1 3 332.448 0.750 20 0 ECADHO NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000373895365 301086642 /nfs/dbraw/zinc/08/66/42/301086642.db2.gz XAAGQNMPKDAJJZ-HOTGVXAUSA-N 1 3 332.448 0.750 20 0 ECADHO C[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)CN1CCCCC1 ZINC000375826123 301213908 /nfs/dbraw/zinc/21/39/08/301213908.db2.gz ULOWTKMCPNADIA-AWEZNQCLSA-N 1 3 345.509 0.391 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1(C)C ZINC000376181979 301240949 /nfs/dbraw/zinc/24/09/49/301240949.db2.gz PHQKVKRHCMKYSE-OEUWWYETSA-N 1 3 325.453 0.498 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1(C)C ZINC000376181979 301240950 /nfs/dbraw/zinc/24/09/50/301240950.db2.gz PHQKVKRHCMKYSE-OEUWWYETSA-N 1 3 325.453 0.498 20 0 ECADHO CN1CC[C@@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)[C@@H]2C1 ZINC000376823330 301295296 /nfs/dbraw/zinc/29/52/96/301295296.db2.gz OMUQFZUIZZJBCZ-NVXWUHKLSA-N 1 3 337.512 0.748 20 0 ECADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000516879147 301683821 /nfs/dbraw/zinc/68/38/21/301683821.db2.gz NYHWKDYQSIGKOU-GJZGRUSLSA-N 1 3 337.468 0.060 20 0 ECADHO CCNC(=O)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759447 436496635 /nfs/dbraw/zinc/49/66/35/436496635.db2.gz HFTUYATWQKESNJ-ZDUSSCGKSA-N 1 3 339.484 0.369 20 0 ECADHO CCNC(=O)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759445 436496974 /nfs/dbraw/zinc/49/69/74/436496974.db2.gz HFTUYATWQKESNJ-CYBMUJFWSA-N 1 3 339.484 0.369 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000056523181 436594107 /nfs/dbraw/zinc/59/41/07/436594107.db2.gz YRPLZIZBIMJRFK-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN(CC(C)(C)O)C2CCOCC2)CC1 ZINC000530939084 302036313 /nfs/dbraw/zinc/03/63/13/302036313.db2.gz SOUHWCPUQISCLM-UHFFFAOYSA-N 1 3 341.496 0.839 20 0 ECADHO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000536569660 302140890 /nfs/dbraw/zinc/14/08/90/302140890.db2.gz SXVVAIZBSNQEDJ-ZIAGYGMSSA-N 1 3 327.473 0.036 20 0 ECADHO CN1CCC[C@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000112924198 436635300 /nfs/dbraw/zinc/63/53/00/436635300.db2.gz YODXXQORZBCQAN-KBPBESRZSA-N 1 3 342.509 0.140 20 0 ECADHO CN1CCC[C@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000112924198 436635302 /nfs/dbraw/zinc/63/53/02/436635302.db2.gz YODXXQORZBCQAN-KBPBESRZSA-N 1 3 342.509 0.140 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CCC[NH+](C)C ZINC000543680889 302216381 /nfs/dbraw/zinc/21/63/81/302216381.db2.gz RZKBKYVNZLZBTA-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO NC(=O)c1cnccc1NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000545159441 302231339 /nfs/dbraw/zinc/23/13/39/302231339.db2.gz KNLAGWSJRLVVKK-UHFFFAOYSA-N 1 3 340.431 0.622 20 0 ECADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000547296973 302254083 /nfs/dbraw/zinc/25/40/83/302254083.db2.gz KPFLMUCQNNCCIL-PBHICJAKSA-N 1 3 326.485 0.863 20 0 ECADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000547296973 302254084 /nfs/dbraw/zinc/25/40/84/302254084.db2.gz KPFLMUCQNNCCIL-PBHICJAKSA-N 1 3 326.485 0.863 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc(C(N)=O)co1 ZINC000547679825 302268259 /nfs/dbraw/zinc/26/82/59/302268259.db2.gz MFBAEGITSDHSHT-UHFFFAOYSA-N 1 3 325.413 0.013 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000551884660 302367947 /nfs/dbraw/zinc/36/79/47/302367947.db2.gz QGRHJXNVADYIEJ-OAGGEKHMSA-N 1 3 340.512 0.879 20 0 ECADHO CN1CCN(CCCCNC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000153000904 436745486 /nfs/dbraw/zinc/74/54/86/436745486.db2.gz CMEYWUCAHYJUIG-MRXNPFEDSA-N 1 3 325.501 0.655 20 0 ECADHO CN1CCN(CCCCNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000153000904 436745490 /nfs/dbraw/zinc/74/54/90/436745490.db2.gz CMEYWUCAHYJUIG-MRXNPFEDSA-N 1 3 325.501 0.655 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000125195616 436765808 /nfs/dbraw/zinc/76/58/08/436765808.db2.gz NDEJEPAKMDYJSS-KRWDZBQOSA-N 1 3 337.512 0.798 20 0 ECADHO CN1CCN(CCCCNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000125195616 436765812 /nfs/dbraw/zinc/76/58/12/436765812.db2.gz NDEJEPAKMDYJSS-KRWDZBQOSA-N 1 3 337.512 0.798 20 0 ECADHO C[C@H](CN1C[C@H](C(N)=O)CC[C@H]1C)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000247228842 436790281 /nfs/dbraw/zinc/79/02/81/436790281.db2.gz XMNBPMKPBVVEKQ-IBEHDNSVSA-N 1 3 338.496 0.794 20 0 ECADHO C[C@H](CN1C[C@H](C(N)=O)CC[C@H]1C)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000247228842 436790284 /nfs/dbraw/zinc/79/02/84/436790284.db2.gz XMNBPMKPBVVEKQ-IBEHDNSVSA-N 1 3 338.496 0.794 20 0 ECADHO C[C@@H](CN1C[C@H](C(N)=O)CC[C@@H]1C)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000247228842 436790286 /nfs/dbraw/zinc/79/02/86/436790286.db2.gz XMNBPMKPBVVEKQ-IBEHDNSVSA-N 1 3 338.496 0.794 20 0 ECADHO C[C@@H](CN1C[C@H](C(N)=O)CC[C@@H]1C)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000247228842 436790289 /nfs/dbraw/zinc/79/02/89/436790289.db2.gz XMNBPMKPBVVEKQ-IBEHDNSVSA-N 1 3 338.496 0.794 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155233912 436791327 /nfs/dbraw/zinc/79/13/27/436791327.db2.gz DEKCOEJTUIOAIO-SJORKVTESA-N 1 3 339.480 0.857 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000155233912 436791331 /nfs/dbraw/zinc/79/13/31/436791331.db2.gz DEKCOEJTUIOAIO-SJORKVTESA-N 1 3 339.480 0.857 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CN1C1CC1 ZINC000130620580 436841301 /nfs/dbraw/zinc/84/13/01/436841301.db2.gz NFAYLFQWNSIHFK-HUUCEWRRSA-N 1 3 337.512 0.937 20 0 ECADHO Cc1cnn(Cc2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)no2)c1 ZINC000131510401 436852815 /nfs/dbraw/zinc/85/28/15/436852815.db2.gz HZVMADLVBCAUBU-UHFFFAOYSA-N 1 3 348.451 0.793 20 0 ECADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261915604 436895510 /nfs/dbraw/zinc/89/55/10/436895510.db2.gz YAPKRRLCSBWMSA-KRWDZBQOSA-N 1 3 335.448 0.997 20 0 ECADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000167251945 436939187 /nfs/dbraw/zinc/93/91/87/436939187.db2.gz OUJLATXLQGYENN-ULQDDVLXSA-N 1 3 335.448 0.535 20 0 ECADHO COCCNCC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000166614317 436939219 /nfs/dbraw/zinc/93/92/19/436939219.db2.gz STVJGNGXZVYYMA-HOTGVXAUSA-N 1 3 326.485 0.239 20 0 ECADHO COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000275934663 437032479 /nfs/dbraw/zinc/03/24/79/437032479.db2.gz WKQYVPRBHLPOOB-UHFFFAOYSA-N 1 3 336.436 0.429 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C1=CCN(C)CC1 ZINC000331686027 437143869 /nfs/dbraw/zinc/14/38/69/437143869.db2.gz SVBOSIKHWUIEQY-UAGQMJEPSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C1=CCN(C)CC1 ZINC000331686027 437143872 /nfs/dbraw/zinc/14/38/72/437143872.db2.gz SVBOSIKHWUIEQY-UAGQMJEPSA-N 1 3 348.491 0.696 20 0 ECADHO COCCN(CCO)Cc1ccccc1C[N@H+](CCO)CCOC ZINC000265663960 437172152 /nfs/dbraw/zinc/17/21/52/437172152.db2.gz UBDFSYKQBAZYRH-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO COCCN(CCO)Cc1ccccc1C[N@@H+](CCO)CCOC ZINC000265663960 437172157 /nfs/dbraw/zinc/17/21/57/437172157.db2.gz UBDFSYKQBAZYRH-UHFFFAOYSA-N 1 3 340.464 0.568 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)c1ccoc1CC(=O)N[C@@H](C)C[NH+](C)C ZINC000287333474 437179704 /nfs/dbraw/zinc/17/97/04/437179704.db2.gz YCRDAAYBGSRKLW-STQMWFEESA-N 1 3 338.452 0.568 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)Cc1occc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000287333474 437179710 /nfs/dbraw/zinc/17/97/10/437179710.db2.gz YCRDAAYBGSRKLW-STQMWFEESA-N 1 3 338.452 0.568 20 0 ECADHO C[C@H]1CN(CCC2CC[NH+](CCCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000177489629 437187452 /nfs/dbraw/zinc/18/74/52/437187452.db2.gz WCOPZZUBTCOLGE-GJZGRUSLSA-N 1 3 347.525 0.876 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333362602 437268633 /nfs/dbraw/zinc/26/86/33/437268633.db2.gz LHMWRFKCOQUORP-IAGOWNOFSA-N 1 3 337.512 0.940 20 0 ECADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1COCCN1 ZINC000178875620 437235793 /nfs/dbraw/zinc/23/57/93/437235793.db2.gz BLHZAZCUGCLABR-GOSISDBHSA-N 1 3 346.475 0.693 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333548431 437276359 /nfs/dbraw/zinc/27/63/59/437276359.db2.gz JBWQQOUQXYCFQW-KFWWJZLASA-N 1 3 332.452 0.901 20 0 ECADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000333644147 437278999 /nfs/dbraw/zinc/27/89/99/437278999.db2.gz IUBLQLRGUTVBFF-QWHCGFSZSA-N 1 3 349.401 0.312 20 0 ECADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333820560 437290117 /nfs/dbraw/zinc/29/01/17/437290117.db2.gz RAEIPCCWWQNMCX-SJORKVTESA-N 1 3 335.496 0.692 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000337574604 437367302 /nfs/dbraw/zinc/36/73/02/437367302.db2.gz GWGODFGBSANEBI-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000337574604 437367307 /nfs/dbraw/zinc/36/73/07/437367307.db2.gz GWGODFGBSANEBI-HZPDHXFCSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000337627242 437372710 /nfs/dbraw/zinc/37/27/10/437372710.db2.gz BAFPXVPDBQOQQF-HZPDHXFCSA-N 1 3 336.480 0.341 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000337627242 437372714 /nfs/dbraw/zinc/37/27/14/437372714.db2.gz BAFPXVPDBQOQQF-HZPDHXFCSA-N 1 3 336.480 0.341 20 0 ECADHO CO[C@H](C[NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000290281018 437475802 /nfs/dbraw/zinc/47/58/02/437475802.db2.gz ZLWNLOSYNLFTBS-IAGOWNOFSA-N 1 3 334.464 0.455 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000269255189 437476031 /nfs/dbraw/zinc/47/60/31/437476031.db2.gz RUDFWXRUCGOGAF-IAGOWNOFSA-N 1 3 346.475 0.788 20 0 ECADHO COC[C@@H](N)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000354067954 437519446 /nfs/dbraw/zinc/51/94/46/437519446.db2.gz IWHCZWOXUVMXJF-GOSISDBHSA-N 1 3 348.491 0.674 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000339667062 437488311 /nfs/dbraw/zinc/48/83/11/437488311.db2.gz FINWECOOPOOATC-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000187013503 437490673 /nfs/dbraw/zinc/49/06/73/437490673.db2.gz SXQIBZYINFLLEC-UONOGXRCSA-N 1 3 328.457 0.559 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000340478547 437658799 /nfs/dbraw/zinc/65/87/99/437658799.db2.gz KNHYGBAHTSWKIR-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000340478547 437658804 /nfs/dbraw/zinc/65/88/04/437658804.db2.gz KNHYGBAHTSWKIR-ZACQAIPSSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000340478542 437659210 /nfs/dbraw/zinc/65/92/10/437659210.db2.gz KNHYGBAHTSWKIR-IKGGRYGDSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000340478542 437659211 /nfs/dbraw/zinc/65/92/11/437659211.db2.gz KNHYGBAHTSWKIR-IKGGRYGDSA-N 1 3 348.491 0.816 20 0 ECADHO CCN1CCN(C(=O)[C@@H](C)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000344040536 437722299 /nfs/dbraw/zinc/72/22/99/437722299.db2.gz VEWRCWRITDYBIB-QGZVFWFLSA-N 1 3 341.544 0.354 20 0 ECADHO CCN1CCN(C(=O)[C@@H](C)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000344040536 437722304 /nfs/dbraw/zinc/72/23/04/437722304.db2.gz VEWRCWRITDYBIB-QGZVFWFLSA-N 1 3 341.544 0.354 20 0 ECADHO CCN1CCN(C(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000344040536 437722308 /nfs/dbraw/zinc/72/23/08/437722308.db2.gz VEWRCWRITDYBIB-QGZVFWFLSA-N 1 3 341.544 0.354 20 0 ECADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000344085711 437730251 /nfs/dbraw/zinc/73/02/51/437730251.db2.gz SYTXPVZQYIQFES-INIZCTEOSA-N 1 3 348.557 0.473 20 0 ECADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000344085711 437730254 /nfs/dbraw/zinc/73/02/54/437730254.db2.gz SYTXPVZQYIQFES-INIZCTEOSA-N 1 3 348.557 0.473 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362526476 437741649 /nfs/dbraw/zinc/74/16/49/437741649.db2.gz ROFFYOABQUTTJX-ZFWWWQNUSA-N 1 3 325.453 0.575 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362526476 437741654 /nfs/dbraw/zinc/74/16/54/437741654.db2.gz ROFFYOABQUTTJX-ZFWWWQNUSA-N 1 3 325.453 0.575 20 0 ECADHO CN(C)CCN(Cc1ccccc1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423737387 437818713 /nfs/dbraw/zinc/81/87/13/437818713.db2.gz TYALNRMYAXUDOD-QGZVFWFLSA-N 1 3 346.475 0.835 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000341030287 437778995 /nfs/dbraw/zinc/77/89/95/437778995.db2.gz NUJALNQLSDQPMW-QKPAOTATSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000341030287 437779000 /nfs/dbraw/zinc/77/90/00/437779000.db2.gz NUJALNQLSDQPMW-QKPAOTATSA-N 1 3 340.512 0.925 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2CCCNCC2)c(OCC[NH+](C)C)c1 ZINC000415312617 437781375 /nfs/dbraw/zinc/78/13/75/437781375.db2.gz CZEUYPPJQIXXGF-UHFFFAOYSA-N 1 3 348.447 0.696 20 0 ECADHO CCCN(C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423670070 437798031 /nfs/dbraw/zinc/79/80/31/437798031.db2.gz YWYZSCVPKRHNNJ-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC(C)(C)[NH3+])c2)CC1 ZINC000415466753 437808495 /nfs/dbraw/zinc/80/84/95/437808495.db2.gz SGISQGUCJZWZCH-UHFFFAOYSA-N 1 3 347.463 0.621 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000415662946 437838951 /nfs/dbraw/zinc/83/89/51/437838951.db2.gz BTXBMOXYQJMAHX-BBRMVZONSA-N 1 3 348.447 0.822 20 0 ECADHO CCN(CCO)CCNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000347233999 437855649 /nfs/dbraw/zinc/85/56/49/437855649.db2.gz PAACCCXDVQGIOV-UHFFFAOYSA-N 1 3 344.500 0.489 20 0 ECADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC000356927207 437866138 /nfs/dbraw/zinc/86/61/38/437866138.db2.gz UTZAYTDOWXRPPI-UHFFFAOYSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC000356927207 437866140 /nfs/dbraw/zinc/86/61/40/437866140.db2.gz UTZAYTDOWXRPPI-UHFFFAOYSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[N@H+](C)C(C)C)CCC1 ZINC000356927207 437866144 /nfs/dbraw/zinc/86/61/44/437866144.db2.gz UTZAYTDOWXRPPI-UHFFFAOYSA-N 1 3 326.485 0.822 20 0 ECADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC000356927207 437866150 /nfs/dbraw/zinc/86/61/50/437866150.db2.gz UTZAYTDOWXRPPI-UHFFFAOYSA-N 1 3 326.485 0.822 20 0 ECADHO [NH3+][C@@H]1CCc2ncc(NC(=O)NC[C@H]3CCCCN3CCO)cc2C1 ZINC000415967499 437882937 /nfs/dbraw/zinc/88/29/37/437882937.db2.gz WTMJRPUWSGYEKC-GDBMZVCRSA-N 1 3 347.463 0.866 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CCSC1 ZINC000424140660 437894231 /nfs/dbraw/zinc/89/42/31/437894231.db2.gz WMPIVAXITKGDMB-DOMZBBRYSA-N 1 3 338.481 0.370 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000347696576 437934572 /nfs/dbraw/zinc/93/45/72/437934572.db2.gz DTCFBMLMXNVRFN-SJORKVTESA-N 1 3 340.512 0.345 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000357222217 437937655 /nfs/dbraw/zinc/93/76/55/437937655.db2.gz UOWHDJLWNZQQBZ-UHFFFAOYSA-N 1 3 326.485 0.726 20 0 ECADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000357222217 437937660 /nfs/dbraw/zinc/93/76/60/437937660.db2.gz UOWHDJLWNZQQBZ-UHFFFAOYSA-N 1 3 326.485 0.726 20 0 ECADHO CCN(C(=O)C[N@H+](C)C(C)C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC000357222217 437937664 /nfs/dbraw/zinc/93/76/64/437937664.db2.gz UOWHDJLWNZQQBZ-UHFFFAOYSA-N 1 3 326.485 0.726 20 0 ECADHO CCN(C(=O)C[N@@H+](C)C(C)C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC000357222217 437937668 /nfs/dbraw/zinc/93/76/68/437937668.db2.gz UOWHDJLWNZQQBZ-UHFFFAOYSA-N 1 3 326.485 0.726 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424459152 437942471 /nfs/dbraw/zinc/94/24/71/437942471.db2.gz FLQNBEXEWMCPIG-HUUCEWRRSA-N 1 3 339.484 0.498 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000371556871 437955724 /nfs/dbraw/zinc/95/57/24/437955724.db2.gz HVPNVEQJZRMVEB-LSDHHAIUSA-N 1 3 328.457 0.117 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000371556871 437955729 /nfs/dbraw/zinc/95/57/29/437955729.db2.gz HVPNVEQJZRMVEB-LSDHHAIUSA-N 1 3 328.457 0.117 20 0 ECADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424493615 437957918 /nfs/dbraw/zinc/95/79/18/437957918.db2.gz LCZPCCLSVBQKLX-GVDBMIGSSA-N 1 3 342.443 0.279 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N(C)C2CC2)[C@@H](C)C1 ZINC000342070440 437958881 /nfs/dbraw/zinc/95/88/81/437958881.db2.gz FHECSYVAFLGPOD-DZKIICNBSA-N 1 3 338.496 0.774 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N(C)C2CC2)[C@@H](C)C1 ZINC000342070440 437958885 /nfs/dbraw/zinc/95/88/85/437958885.db2.gz FHECSYVAFLGPOD-DZKIICNBSA-N 1 3 338.496 0.774 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[N@H+](C)C1CC1 ZINC000342086932 437963645 /nfs/dbraw/zinc/96/36/45/437963645.db2.gz NUVZQRGFGWFIKG-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[N@@H+](C)C1CC1 ZINC000342086932 437963649 /nfs/dbraw/zinc/96/36/49/437963649.db2.gz NUVZQRGFGWFIKG-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)CCOCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000342896220 438083017 /nfs/dbraw/zinc/08/30/17/438083017.db2.gz GRBHTHIIRGSTAY-UHFFFAOYSA-N 1 3 342.484 0.060 20 0 ECADHO [NH3+]C[C@H](NC(=O)NCc1ccccc1CN1CC[C@H](O)C1)C1CC1 ZINC000417988804 438096857 /nfs/dbraw/zinc/09/68/57/438096857.db2.gz IUUXCCOHXSDVRZ-IRXDYDNUSA-N 1 3 332.448 0.790 20 0 ECADHO C[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N(C)C1CC1 ZINC000417549871 438059387 /nfs/dbraw/zinc/05/93/87/438059387.db2.gz KDUUGGKPXYPBGU-DZGCQCFKSA-N 1 3 339.484 0.498 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000417755292 438075780 /nfs/dbraw/zinc/07/57/80/438075780.db2.gz XJMJUAKZJAWYBI-WMZOPIPTSA-N 1 3 339.528 0.949 20 0 ECADHO C[C@@H]([NH2+]C1(CNC(=O)COC2CNC2)CCOCC1)c1ccccc1 ZINC000430772997 438122409 /nfs/dbraw/zinc/12/24/09/438122409.db2.gz PKGJCGBRVVNJQY-OAHLLOKOSA-N 1 3 347.459 0.991 20 0 ECADHO C[NH2+]C[C@@H](C)CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418388708 438138406 /nfs/dbraw/zinc/13/84/06/438138406.db2.gz NKXYCYQRERPMCB-CQSZACIVSA-N 1 3 327.473 0.133 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418462505 438146976 /nfs/dbraw/zinc/14/69/76/438146976.db2.gz BNCCATSWXGIRAH-OIISXLGYSA-N 1 3 334.464 0.763 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418464025 438147010 /nfs/dbraw/zinc/14/70/10/438147010.db2.gz LZXVZYFCRMOQOB-OAHLLOKOSA-N 1 3 339.484 0.454 20 0 ECADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418465440 438149418 /nfs/dbraw/zinc/14/94/18/438149418.db2.gz MXHRJJMSIQVMPQ-GJZGRUSLSA-N 1 3 339.484 0.452 20 0 ECADHO [NH3+][C@@H](CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000418492113 438150252 /nfs/dbraw/zinc/15/02/52/438150252.db2.gz UCZVJHAOSVAHQY-WMZOPIPTSA-N 1 3 332.448 0.660 20 0 ECADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418754565 438182420 /nfs/dbraw/zinc/18/24/20/438182420.db2.gz WTWOJMUEQSYKTD-CHWSQXEVSA-N 1 3 334.411 0.376 20 0 ECADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000418764827 438184950 /nfs/dbraw/zinc/18/49/50/438184950.db2.gz OMOXWQYWDPSQLL-DOTOQJQBSA-N 1 3 349.479 0.501 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358106065 438154033 /nfs/dbraw/zinc/15/40/33/438154033.db2.gz FDSMIMHOOZGFGQ-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418604928 438166456 /nfs/dbraw/zinc/16/64/56/438166456.db2.gz SSPLABVMDXEMIR-CQSZACIVSA-N 1 3 327.473 0.276 20 0 ECADHO CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)NC(=O)CN(C)C(C)C ZINC000358148907 438168397 /nfs/dbraw/zinc/16/83/97/438168397.db2.gz BVSWYMDSBZFNPR-OAHLLOKOSA-N 1 3 328.501 0.924 20 0 ECADHO CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)NC(=O)CN(C)C(C)C ZINC000358148907 438168400 /nfs/dbraw/zinc/16/84/00/438168400.db2.gz BVSWYMDSBZFNPR-OAHLLOKOSA-N 1 3 328.501 0.924 20 0 ECADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)NC(=O)C[N@H+](C)C(C)C ZINC000358148907 438168401 /nfs/dbraw/zinc/16/84/01/438168401.db2.gz BVSWYMDSBZFNPR-OAHLLOKOSA-N 1 3 328.501 0.924 20 0 ECADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)NC(=O)C[N@@H+](C)C(C)C ZINC000358148907 438168402 /nfs/dbraw/zinc/16/84/02/438168402.db2.gz BVSWYMDSBZFNPR-OAHLLOKOSA-N 1 3 328.501 0.924 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)Cc1ccccc1 ZINC000418854340 438218150 /nfs/dbraw/zinc/21/81/50/438218150.db2.gz SYRWYRJXIMWJTH-QFBILLFUSA-N 1 3 346.475 0.473 20 0 ECADHO COCCN1CCC[C@@H]1CNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433157706 438227381 /nfs/dbraw/zinc/22/73/81/438227381.db2.gz NPESMEDTHQPHMX-MRXNPFEDSA-N 1 3 326.485 0.417 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000433869399 438267423 /nfs/dbraw/zinc/26/74/23/438267423.db2.gz RWBPCUAGIYFCLF-HNNXBMFYSA-N 1 3 329.466 0.339 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000418995897 438276726 /nfs/dbraw/zinc/27/67/26/438276726.db2.gz MZFXEWXSPKFPJJ-IYBDPMFKSA-N 1 3 330.432 0.042 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000419006535 438283230 /nfs/dbraw/zinc/28/32/30/438283230.db2.gz WRHQQVNHZHUMFP-HNNXBMFYSA-N 1 3 346.475 0.870 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCN(C)Cc2ccccc2)CC[NH2+]1 ZINC000419009012 438284500 /nfs/dbraw/zinc/28/45/00/438284500.db2.gz WQXVWMKTHKFDJY-RDJZCZTQSA-N 1 3 346.475 0.881 20 0 ECADHO NC[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000419016032 438287469 /nfs/dbraw/zinc/28/74/69/438287469.db2.gz LUEKNIAGYRTVHO-QGZVFWFLSA-N 1 3 344.459 0.752 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419017546 438288648 /nfs/dbraw/zinc/28/86/48/438288648.db2.gz BBKPQIWUBBVWOO-ZVDSWSACSA-N 1 3 338.496 0.713 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419022858 438291929 /nfs/dbraw/zinc/29/19/29/438291929.db2.gz IVYIVLRBRLQAMW-LVQVYYBASA-N 1 3 338.496 0.666 20 0 ECADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000419024392 438294488 /nfs/dbraw/zinc/29/44/88/438294488.db2.gz XJIGMBVOYMYRKC-QGZVFWFLSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@H]1CN(CCCNC(=O)NC[C@](C)(O)C[NH+](C)C)CCCO1 ZINC000433467616 438253718 /nfs/dbraw/zinc/25/37/18/438253718.db2.gz RCSQGQGCZNLQGQ-HOCLYGCPSA-N 1 3 330.473 0.099 20 0 ECADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000419108087 438322364 /nfs/dbraw/zinc/32/23/64/438322364.db2.gz LOVNQFODMIWJSI-OAHLLOKOSA-N 1 3 346.475 0.834 20 0 ECADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419122127 438333240 /nfs/dbraw/zinc/33/32/40/438333240.db2.gz NCMBLQYZRPQWMW-BZUAXINKSA-N 1 3 338.496 0.810 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377999241 438336079 /nfs/dbraw/zinc/33/60/79/438336079.db2.gz LURLNLZJIYNRDQ-HNNXBMFYSA-N 1 3 334.464 0.380 20 0 ECADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419050269 438305452 /nfs/dbraw/zinc/30/54/52/438305452.db2.gz YNYFPHHHQSWKMH-CABCVRRESA-N 1 3 338.496 0.729 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420207311 438391891 /nfs/dbraw/zinc/39/18/91/438391891.db2.gz QIEHVPZDVHOMMI-TWMKSMIVSA-N 1 3 348.491 0.578 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419169838 438348337 /nfs/dbraw/zinc/34/83/37/438348337.db2.gz MRTWVAJNTLTNTE-MRXNPFEDSA-N 1 3 338.496 0.968 20 0 ECADHO C[N@H+](CCNC(=O)C(=O)NCc1ccc2c(c1)CNC2)C1CCCC1 ZINC000419692555 438366970 /nfs/dbraw/zinc/36/69/70/438366970.db2.gz GPGSNTCIHSWDCC-UHFFFAOYSA-N 1 3 344.459 0.897 20 0 ECADHO C[N@@H+](CCNC(=O)C(=O)NCc1ccc2c(c1)CNC2)C1CCCC1 ZINC000419692555 438366973 /nfs/dbraw/zinc/36/69/73/438366973.db2.gz GPGSNTCIHSWDCC-UHFFFAOYSA-N 1 3 344.459 0.897 20 0 ECADHO CCN(C[C@H](C)O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000352416101 438420771 /nfs/dbraw/zinc/42/07/71/438420771.db2.gz DIYWMPDWFFZKSO-AWEZNQCLSA-N 1 3 326.485 0.957 20 0 ECADHO CC1(OCC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C[NH2+]C1 ZINC000390988888 438436818 /nfs/dbraw/zinc/43/68/18/438436818.db2.gz HQOXAZDBPORVLV-KRWDZBQOSA-N 1 3 347.459 0.772 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000359260199 438396643 /nfs/dbraw/zinc/39/66/43/438396643.db2.gz BOLOOFLESJWDTC-JKSUJKDBSA-N 1 3 340.512 0.927 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000359260199 438396649 /nfs/dbraw/zinc/39/66/49/438396649.db2.gz BOLOOFLESJWDTC-JKSUJKDBSA-N 1 3 340.512 0.927 20 0 ECADHO Cc1cc(NC(=O)CCN2CCCC[C@H]2CNC(=O)CC[NH3+])no1 ZINC000436057921 438396839 /nfs/dbraw/zinc/39/68/39/438396839.db2.gz WYYXVVXYDCHHSE-ZDUSSCGKSA-N 1 3 337.424 0.631 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000359266079 438398878 /nfs/dbraw/zinc/39/88/78/438398878.db2.gz SGKCTSBHAQNESJ-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000359266079 438398883 /nfs/dbraw/zinc/39/88/83/438398883.db2.gz SGKCTSBHAQNESJ-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420326026 438400752 /nfs/dbraw/zinc/40/07/52/438400752.db2.gz JAHVDZOCHWPSIH-BHYGNILZSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@H+](CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)C1CC1 ZINC000369395879 438466424 /nfs/dbraw/zinc/46/64/24/438466424.db2.gz QZZCRUMBJLBTPT-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CC[N@@H+](CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)C1CC1 ZINC000369395879 438466427 /nfs/dbraw/zinc/46/64/27/438466427.db2.gz QZZCRUMBJLBTPT-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000369581753 438492600 /nfs/dbraw/zinc/49/26/00/438492600.db2.gz HCUSQTAKKMQLFC-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000369581753 438492605 /nfs/dbraw/zinc/49/26/05/438492605.db2.gz HCUSQTAKKMQLFC-QGZVFWFLSA-N 1 3 337.512 0.892 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000422121926 438524649 /nfs/dbraw/zinc/52/46/49/438524649.db2.gz VWENYUQKPNQVRW-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000422121926 438524653 /nfs/dbraw/zinc/52/46/53/438524653.db2.gz VWENYUQKPNQVRW-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO C[NH+](C)C1(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CCOCC1 ZINC000369921328 438528649 /nfs/dbraw/zinc/52/86/49/438528649.db2.gz WFGZYVCOHJBHGL-SUNYJGFJSA-N 1 3 339.480 0.746 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[NH+]1CCC(C)CC1 ZINC000422262799 438538894 /nfs/dbraw/zinc/53/88/94/438538894.db2.gz ADHPBXRALHJPHZ-HOTGVXAUSA-N 1 3 338.496 0.776 20 0 ECADHO C[N@@H+]1CCN(CCNC(=O)N2CC[C@H](N3CC=CC3)C2)CC1(C)C ZINC000370018725 438541880 /nfs/dbraw/zinc/54/18/80/438541880.db2.gz JHLUOMYLXNQNJD-INIZCTEOSA-N 1 3 335.496 0.668 20 0 ECADHO C[N@H+]1CCN(CCNC(=O)N2CC[C@H](N3CC=CC3)C2)CC1(C)C ZINC000370018725 438541883 /nfs/dbraw/zinc/54/18/83/438541883.db2.gz JHLUOMYLXNQNJD-INIZCTEOSA-N 1 3 335.496 0.668 20 0 ECADHO C[C@H](CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C)[NH+]1CCCCC1 ZINC000422382631 438561175 /nfs/dbraw/zinc/56/11/75/438561175.db2.gz PDEPUXAJYVIGOU-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422908897 438615502 /nfs/dbraw/zinc/61/55/02/438615502.db2.gz DVFBZLXRFUZAPP-MAUKXSAKSA-N 1 3 348.491 0.835 20 0 ECADHO CC(C)C[C@H]([NH2+][C@@H](C)C[C@H]1COCCN1)C(=O)NCCN(C)C ZINC000423024998 438629225 /nfs/dbraw/zinc/62/92/25/438629225.db2.gz KONBAXHOJPMAHB-JYJNAYRXSA-N 1 3 328.501 0.436 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423058176 438633968 /nfs/dbraw/zinc/63/39/68/438633968.db2.gz BMJQULDJSUBVHZ-HUUCEWRRSA-N 1 3 326.485 0.618 20 0 ECADHO CN1CC[C@H]2CN(C(=O)C(=O)N(CC[NH+](C)C)Cc3ccco3)C[C@H]21 ZINC000410702475 438634272 /nfs/dbraw/zinc/63/42/72/438634272.db2.gz FSTAOUUZXLLOQA-GOEBONIOSA-N 1 3 348.447 0.332 20 0 ECADHO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443064624 438638709 /nfs/dbraw/zinc/63/87/09/438638709.db2.gz YKXUJKGKWFYGKZ-OAHLLOKOSA-N 1 3 348.447 0.228 20 0 ECADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000410730228 438647413 /nfs/dbraw/zinc/64/74/13/438647413.db2.gz BAABLDRZSRQNQN-UHFFFAOYSA-N 1 3 336.480 0.627 20 0 ECADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410752725 438652115 /nfs/dbraw/zinc/65/21/15/438652115.db2.gz IJJMRCKAQAXFBP-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410752725 438652119 /nfs/dbraw/zinc/65/21/19/438652119.db2.gz IJJMRCKAQAXFBP-HRCADAONSA-N 1 3 336.480 0.482 20 0 ECADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410774273 438654806 /nfs/dbraw/zinc/65/48/06/438654806.db2.gz XRVIDXSXHXCPFQ-JKSUJKDBSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423392184 438671431 /nfs/dbraw/zinc/67/14/31/438671431.db2.gz LHXREKJCSOBXHC-LSDHHAIUSA-N 1 3 338.496 0.824 20 0 ECADHO CC1(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C[NH2+]C1 ZINC000423394872 438672354 /nfs/dbraw/zinc/67/23/54/438672354.db2.gz SHGMDHSAFXWLQW-UHFFFAOYSA-N 1 3 344.459 0.738 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423530492 438683332 /nfs/dbraw/zinc/68/33/32/438683332.db2.gz XAYOPKKIHXGNEA-DLBZAZTESA-N 1 3 344.459 0.492 20 0 ECADHO COc1ccccc1[C@H]1C[NH2+]CCN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414730403 438715288 /nfs/dbraw/zinc/71/52/88/438715288.db2.gz GJNBGBNCLQAJAP-NVXWUHKLSA-N 1 3 346.475 0.839 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000505375870 438803446 /nfs/dbraw/zinc/80/34/46/438803446.db2.gz VYGISCYBPBCXSG-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000505375870 438803450 /nfs/dbraw/zinc/80/34/50/438803450.db2.gz VYGISCYBPBCXSG-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000576090470 438767678 /nfs/dbraw/zinc/76/76/78/438767678.db2.gz NOSLBKQBMFVQDI-CQSZACIVSA-N 1 3 348.447 0.763 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000576094132 438767910 /nfs/dbraw/zinc/76/79/10/438767910.db2.gz RRYIPWZJIDCPKL-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CCN1CC[C@H](N(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@H](C)C1 ZINC000577399437 438839070 /nfs/dbraw/zinc/83/90/70/438839070.db2.gz KQBMZEIDUBNJLN-YCPHGPKFSA-N 1 3 334.468 0.832 20 0 ECADHO C[C@@H]1CC2(CN1C(=O)C(=O)NC1CCN(C3CC3)CC1)CC[NH2+]CC2 ZINC000516275530 438900068 /nfs/dbraw/zinc/90/00/68/438900068.db2.gz QRWMWMMKZYIGRA-CQSZACIVSA-N 1 3 348.491 0.720 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000515224504 438857453 /nfs/dbraw/zinc/85/74/53/438857453.db2.gz MONIMUKWRLGEHU-UTSKFRMZSA-N 1 3 348.491 0.576 20 0 ECADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000577721293 438865565 /nfs/dbraw/zinc/86/55/65/438865565.db2.gz UZVIPZFBHIVCDZ-CQSZACIVSA-N 1 3 348.447 0.906 20 0 ECADHO C[C@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000458423294 438883455 /nfs/dbraw/zinc/88/34/55/438883455.db2.gz CEXFJWNNHPYAAX-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000458423294 438883460 /nfs/dbraw/zinc/88/34/60/438883460.db2.gz CEXFJWNNHPYAAX-IAGOWNOFSA-N 1 3 339.528 0.901 20 0 ECADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)CCCN2CCN(C)CC2)C1(C)C ZINC000564930160 438890999 /nfs/dbraw/zinc/89/09/99/438890999.db2.gz IHKRXAUKYCZDMX-CRAIPNDOSA-N 1 3 340.512 0.615 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000578909106 438966372 /nfs/dbraw/zinc/96/63/72/438966372.db2.gz HKMUHVCWWZKAIB-BHYGNILZSA-N 1 3 348.495 0.977 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000565823692 438979641 /nfs/dbraw/zinc/97/96/41/438979641.db2.gz PBCKZBWEWXXFSE-JKSUJKDBSA-N 1 3 325.501 0.639 20 0 ECADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000565823692 438979644 /nfs/dbraw/zinc/97/96/44/438979644.db2.gz PBCKZBWEWXXFSE-JKSUJKDBSA-N 1 3 325.501 0.639 20 0 ECADHO CN(C)CCOCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000471658624 439088636 /nfs/dbraw/zinc/08/86/36/439088636.db2.gz MRHSWUHRWNRMTR-HZPDHXFCSA-N 1 3 342.484 0.242 20 0 ECADHO CN(CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000602469830 439093193 /nfs/dbraw/zinc/09/31/93/439093193.db2.gz XNAOXFFIUVIREJ-QFIPXVFZSA-N 1 3 329.510 0.868 20 0 ECADHO CN1CC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)[C@H]1c1ccccc1 ZINC000567148625 439118645 /nfs/dbraw/zinc/11/86/45/439118645.db2.gz AWFAUYSVWGTWQA-BRWVUGGUSA-N 1 3 331.464 0.635 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]1 ZINC000580632565 439113645 /nfs/dbraw/zinc/11/36/45/439113645.db2.gz OZFRRHBWTNUGEP-CABCVRRESA-N 1 3 337.468 0.077 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000460084654 439079910 /nfs/dbraw/zinc/07/99/10/439079910.db2.gz VUGHMMLEKVFWDD-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000460084654 439079916 /nfs/dbraw/zinc/07/99/16/439079916.db2.gz VUGHMMLEKVFWDD-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000522002529 439137478 /nfs/dbraw/zinc/13/74/78/439137478.db2.gz ZGCRKGSAQMJPOB-BBRMVZONSA-N 1 3 332.452 0.759 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000580904581 439146722 /nfs/dbraw/zinc/14/67/22/439146722.db2.gz YHIRIFLLISAVJC-JYJNAYRXSA-N 1 3 338.496 0.809 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000567499435 439146794 /nfs/dbraw/zinc/14/67/94/439146794.db2.gz ZQGGZDFXVBZWBW-RDJZCZTQSA-N 1 3 326.485 0.002 20 0 ECADHO Cc1cc(NC(=O)CCNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)no1 ZINC000567689276 439163793 /nfs/dbraw/zinc/16/37/93/439163793.db2.gz GTJVQSJADQRMMW-CABCVRRESA-N 1 3 336.436 1.279 20 0 ECADHO N[C@H]1Cc2ccccc2N(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000567925397 439198278 /nfs/dbraw/zinc/19/82/78/439198278.db2.gz KUDNIRUHROQTFT-KBPBESRZSA-N 1 3 326.404 0.560 20 0 ECADHO CCN1CCN(CCCNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000581367326 439204264 /nfs/dbraw/zinc/20/42/64/439204264.db2.gz UIEWSJIJPKUAQB-UHFFFAOYSA-N 1 3 326.485 0.417 20 0 ECADHO O=C1N[C@@H]2CN(C[C@@H]3CCCC[C@@H]3O)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000568051653 439209030 /nfs/dbraw/zinc/20/90/30/439209030.db2.gz WEBMTTHJTIZOGD-SVGFKBNWSA-N 1 3 336.480 0.758 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1=O ZINC000581610412 439234599 /nfs/dbraw/zinc/23/45/99/439234599.db2.gz MWENZFIGNPWOQR-OWCLPIDISA-N 1 3 336.480 0.245 20 0 ECADHO COC(=O)[C@H]1C[NH2+]CCCN1CCCN1CCN(C(C)C)CC1 ZINC000592487599 439239049 /nfs/dbraw/zinc/23/90/49/439239049.db2.gz VZGJUUKNOKBJLM-MRXNPFEDSA-N 1 3 326.485 0.239 20 0 ECADHO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCC[C@H]1CN1CCCC1 ZINC000581937692 439267808 /nfs/dbraw/zinc/26/78/08/439267808.db2.gz CRWFODREYNCRKC-QFBILLFUSA-N 1 3 348.491 0.675 20 0 ECADHO C[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)CN1CCN(C)CC1 ZINC000592960667 439324085 /nfs/dbraw/zinc/32/40/85/439324085.db2.gz BOJYZHXWLFLTPC-LSDHHAIUSA-N 1 3 348.495 0.333 20 0 ECADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NC1CNC1 ZINC000569441563 439332043 /nfs/dbraw/zinc/33/20/43/439332043.db2.gz VHCCOBFZHQKUEY-ZIAGYGMSSA-N 1 3 344.459 0.347 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000569840651 439367442 /nfs/dbraw/zinc/36/74/42/439367442.db2.gz DXXSXMLCNNXAOC-RBSFLKMASA-N 1 3 334.468 0.880 20 0 ECADHO COc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1S(N)(=O)=O ZINC000569988510 439380249 /nfs/dbraw/zinc/38/02/49/439380249.db2.gz QYNLWGVHMPGRBH-CHWSQXEVSA-N 1 3 327.450 0.745 20 0 ECADHO CC(C)[NH+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)C ZINC000570106535 439393592 /nfs/dbraw/zinc/39/35/92/439393592.db2.gz DGXVYQYIQQLFQM-CABCVRRESA-N 1 3 339.484 0.449 20 0 ECADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000582839331 439385424 /nfs/dbraw/zinc/38/54/24/439385424.db2.gz WMPDMPIFVOFDQZ-HOTGVXAUSA-N 1 3 348.491 0.530 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)C1 ZINC000606703890 439421882 /nfs/dbraw/zinc/42/18/82/439421882.db2.gz HRMGVYTWHDHXGC-QZTJIDSGSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000606703890 439421887 /nfs/dbraw/zinc/42/18/87/439421887.db2.gz HRMGVYTWHDHXGC-QZTJIDSGSA-N 1 3 349.523 0.892 20 0 ECADHO COC(=O)c1oc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000599348053 439444248 /nfs/dbraw/zinc/44/42/48/439444248.db2.gz YKCNULXZYMITRU-UHFFFAOYSA-N 1 3 325.409 0.940 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000570922618 439461418 /nfs/dbraw/zinc/46/14/18/439461418.db2.gz PCDLYQWUVJQZMN-DLBZAZTESA-N 1 3 337.512 0.750 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000570922618 439461420 /nfs/dbraw/zinc/46/14/20/439461420.db2.gz PCDLYQWUVJQZMN-DLBZAZTESA-N 1 3 337.512 0.750 20 0 ECADHO CC[C@@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000583426704 439462831 /nfs/dbraw/zinc/46/28/31/439462831.db2.gz DODKBDOHZNICSL-KRWDZBQOSA-N 1 3 326.485 0.587 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000583440898 439465383 /nfs/dbraw/zinc/46/53/83/439465383.db2.gz CSEQNFFPNYBNKQ-KRWDZBQOSA-N 1 3 346.475 0.919 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000583440898 439465394 /nfs/dbraw/zinc/46/53/94/439465394.db2.gz CSEQNFFPNYBNKQ-KRWDZBQOSA-N 1 3 346.475 0.919 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000571269181 439490142 /nfs/dbraw/zinc/49/01/42/439490142.db2.gz DSZVDCNUBCAJAV-VKJFTORMSA-N 1 3 336.480 0.435 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC[C@H]21 ZINC000583798399 439510832 /nfs/dbraw/zinc/51/08/32/439510832.db2.gz SHAIPHRKCSELHA-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC[C@H]21 ZINC000583798399 439510834 /nfs/dbraw/zinc/51/08/34/439510834.db2.gz SHAIPHRKCSELHA-IXDOHACOSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736074 439456603 /nfs/dbraw/zinc/45/66/03/439456603.db2.gz FKZBCTWKQNXXMB-COMQUAJESA-N 1 3 338.452 0.581 20 0 ECADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000571669530 439521438 /nfs/dbraw/zinc/52/14/38/439521438.db2.gz UJOYVBORNOAKDJ-UHFFFAOYSA-N 1 3 326.485 0.763 20 0 ECADHO CCOC1CC(CNC[C@@H](O)C[N@H+](C)C2CC2)(N2CCOCC2)C1 ZINC000584168496 439556533 /nfs/dbraw/zinc/55/65/33/439556533.db2.gz LYGZDDBEROJKKB-WWDZGPRUSA-N 1 3 341.496 0.301 20 0 ECADHO CCOC1CC(CNC[C@@H](O)C[N@@H+](C)C2CC2)(N2CCOCC2)C1 ZINC000584168496 439556539 /nfs/dbraw/zinc/55/65/39/439556539.db2.gz LYGZDDBEROJKKB-WWDZGPRUSA-N 1 3 341.496 0.301 20 0 ECADHO CC(C)(C)OC(=O)[C@@](C)(O)CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594612766 439581379 /nfs/dbraw/zinc/58/13/79/439581379.db2.gz QZFJSQBUQKJSTC-PBHICJAKSA-N 1 3 328.453 0.922 20 0 ECADHO O[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405420 439584533 /nfs/dbraw/zinc/58/45/33/439584533.db2.gz FYGMWVMCGIPZEY-PMACEKPBSA-N 1 3 347.503 0.834 20 0 ECADHO O[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405420 439584537 /nfs/dbraw/zinc/58/45/37/439584537.db2.gz FYGMWVMCGIPZEY-PMACEKPBSA-N 1 3 347.503 0.834 20 0 ECADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405420 439584540 /nfs/dbraw/zinc/58/45/40/439584540.db2.gz FYGMWVMCGIPZEY-PMACEKPBSA-N 1 3 347.503 0.834 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000584530342 439598156 /nfs/dbraw/zinc/59/81/56/439598156.db2.gz WJUWRFWVURQQHH-RDBSUJKOSA-N 1 3 326.485 0.855 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000584530339 439598188 /nfs/dbraw/zinc/59/81/88/439598188.db2.gz WJUWRFWVURQQHH-HZSPNIEDSA-N 1 3 326.485 0.855 20 0 ECADHO CC(C)[C@H](CNC[C@H](O)CN1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000572968896 439619981 /nfs/dbraw/zinc/61/99/81/439619981.db2.gz IQESRRBRRWIKHA-OALUTQOASA-N 1 3 340.556 0.941 20 0 ECADHO CC(C)[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N1CCC(C)CC1 ZINC000572968896 439619982 /nfs/dbraw/zinc/61/99/82/439619982.db2.gz IQESRRBRRWIKHA-OALUTQOASA-N 1 3 340.556 0.941 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000572824796 439610647 /nfs/dbraw/zinc/61/06/47/439610647.db2.gz XNMBLLJILCQFMJ-BBWFWOEESA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000587089405 439665854 /nfs/dbraw/zinc/66/58/54/439665854.db2.gz FDEDWJMLUQFMHH-CABCVRRESA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000587089405 439665856 /nfs/dbraw/zinc/66/58/56/439665856.db2.gz FDEDWJMLUQFMHH-CABCVRRESA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@H]1C[C@H](NC[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC[N@@H+]1C ZINC000574512725 439711038 /nfs/dbraw/zinc/71/10/38/439711038.db2.gz UWEOVNVZRIPHJA-BMFZPTHFSA-N 1 3 346.431 0.937 20 0 ECADHO C[C@@H]1C[C@H](NC[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC[N@H+]1C ZINC000574512725 439711043 /nfs/dbraw/zinc/71/10/43/439711043.db2.gz UWEOVNVZRIPHJA-BMFZPTHFSA-N 1 3 346.431 0.937 20 0 ECADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3(N)CCC3)c2)C1 ZINC000574570581 439713677 /nfs/dbraw/zinc/71/36/77/439713677.db2.gz KUHWZJFCIXVRAB-INIZCTEOSA-N 1 3 344.459 0.882 20 0 ECADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C3(N)CCC3)c2)C1 ZINC000574570581 439713679 /nfs/dbraw/zinc/71/36/79/439713679.db2.gz KUHWZJFCIXVRAB-INIZCTEOSA-N 1 3 344.459 0.882 20 0 ECADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCN(CC2CCOCC2)CC1 ZINC000612974703 439747545 /nfs/dbraw/zinc/74/75/45/439747545.db2.gz RVIUPMIYWLAZTQ-MRXNPFEDSA-N 1 3 336.480 0.882 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612982123 439748083 /nfs/dbraw/zinc/74/80/83/439748083.db2.gz HZOOIOYSJXOSOM-OAHLLOKOSA-N 1 3 337.512 0.844 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000612544421 439726278 /nfs/dbraw/zinc/72/62/78/439726278.db2.gz CQNUVSGYEITJSJ-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCC([NH+]2CCC(C(=O)N[C@H](CO)CN(C)C)CC2)CC1 ZINC000614848530 439788722 /nfs/dbraw/zinc/78/87/22/439788722.db2.gz QSHLZROYEPTIBZ-INIZCTEOSA-N 1 3 340.512 0.221 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000662743547 439867066 /nfs/dbraw/zinc/86/70/66/439867066.db2.gz OXBMAVQZOGUCAY-INIZCTEOSA-N 1 3 326.485 0.679 20 0 ECADHO CC[N@H+](CCCNC(=O)C(=O)N(C)[C@H](C)CN)C1CCCCC1 ZINC000652707524 439934058 /nfs/dbraw/zinc/93/40/58/439934058.db2.gz AEOHMUMXCXEPIX-CQSZACIVSA-N 1 3 326.485 0.953 20 0 ECADHO CC[N@@H+](CCCNC(=O)C(=O)N(C)[C@H](C)CN)C1CCCCC1 ZINC000652707524 439934063 /nfs/dbraw/zinc/93/40/63/439934063.db2.gz AEOHMUMXCXEPIX-CQSZACIVSA-N 1 3 326.485 0.953 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626801692 439887393 /nfs/dbraw/zinc/88/73/93/439887393.db2.gz XUCDKFUAXRPWTD-GFCCVEGCSA-N 1 3 334.420 0.564 20 0 ECADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000662803112 439895887 /nfs/dbraw/zinc/89/58/87/439895887.db2.gz VKBANTUOXXVFKA-SQNIBIBYSA-N 1 3 347.459 0.758 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652667468 439907523 /nfs/dbraw/zinc/90/75/23/439907523.db2.gz SAOFTROOZPZDMW-INIZCTEOSA-N 1 3 346.475 0.521 20 0 ECADHO CN1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1(C)C ZINC000641761363 439910962 /nfs/dbraw/zinc/91/09/62/439910962.db2.gz GPHPNUIKHQKHOT-UHFFFAOYSA-N 1 3 325.501 0.748 20 0 ECADHO C(CN1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1)N1CCOCC1 ZINC000641786114 439914950 /nfs/dbraw/zinc/91/49/50/439914950.db2.gz NYRLPSMCQQUXGK-QYZOEREBSA-N 1 3 336.524 0.999 20 0 ECADHO C(CN1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1)N1CCOCC1 ZINC000641786114 439914954 /nfs/dbraw/zinc/91/49/54/439914954.db2.gz NYRLPSMCQQUXGK-QYZOEREBSA-N 1 3 336.524 0.999 20 0 ECADHO N[C@@H](CC(F)F)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662859449 439915472 /nfs/dbraw/zinc/91/54/72/439915472.db2.gz MYTCODIKPMXWOD-KGLIPLIRSA-N 1 3 327.375 0.852 20 0 ECADHO N[C@@H](CC(F)F)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662859449 439915477 /nfs/dbraw/zinc/91/54/77/439915477.db2.gz MYTCODIKPMXWOD-KGLIPLIRSA-N 1 3 327.375 0.852 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000652682384 439917035 /nfs/dbraw/zinc/91/70/35/439917035.db2.gz JIOGZIGBYWFIAJ-HNNXBMFYSA-N 1 3 346.475 0.870 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000652687474 439919840 /nfs/dbraw/zinc/91/98/40/439919840.db2.gz CXPTYYBRBIFKOP-CQSZACIVSA-N 1 3 344.459 0.789 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000642330448 439971444 /nfs/dbraw/zinc/97/14/44/439971444.db2.gz KLDSATMXZHWWEX-LJIZCISZSA-N 1 3 336.480 0.289 20 0 ECADHO CN(CCCN(C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2)Cc1ccco1 ZINC000662975038 439974175 /nfs/dbraw/zinc/97/41/75/439974175.db2.gz DOVRJXJFVWBIRO-UHFFFAOYSA-N 1 3 348.447 0.510 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000642439844 439979725 /nfs/dbraw/zinc/97/97/25/439979725.db2.gz PFIUGGJFXHSPAL-HUUCEWRRSA-N 1 3 326.485 0.809 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000626987120 439980933 /nfs/dbraw/zinc/98/09/33/439980933.db2.gz XTOFHONKFCHEPY-HZPDHXFCSA-N 1 3 337.512 0.844 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636570260 439935683 /nfs/dbraw/zinc/93/56/83/439935683.db2.gz INDZKPFNPJPJFM-YOEHRIQHSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636570260 439935688 /nfs/dbraw/zinc/93/56/88/439935688.db2.gz INDZKPFNPJPJFM-YOEHRIQHSA-N 1 3 348.491 0.720 20 0 ECADHO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)C[NH2+]1 ZINC000626888919 439940703 /nfs/dbraw/zinc/94/07/03/439940703.db2.gz ZPUPUGSGRBDZMQ-ZFWWWQNUSA-N 1 3 348.447 0.822 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)C1 ZINC000642030956 439941209 /nfs/dbraw/zinc/94/12/09/439941209.db2.gz PRYRAQBTQHUQIY-FJIDUMEYSA-N 1 3 349.523 0.796 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000652718943 439941853 /nfs/dbraw/zinc/94/18/53/439941853.db2.gz QFCOWROVBYOLGP-UHFFFAOYSA-N 1 3 332.448 0.575 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCCCC1 ZINC000642084372 439946061 /nfs/dbraw/zinc/94/60/61/439946061.db2.gz PARMVWTXPKLRSZ-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCCCC1 ZINC000642084375 439946761 /nfs/dbraw/zinc/94/67/61/439946761.db2.gz PARMVWTXPKLRSZ-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO N[C@@H]1CCCCN(CC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1=O ZINC000663005331 439986162 /nfs/dbraw/zinc/98/61/62/439986162.db2.gz TVKCXKQWQYDJSA-JKSUJKDBSA-N 1 3 336.480 0.564 20 0 ECADHO N[C@@H]1CCCCN(CC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1=O ZINC000663005331 439986170 /nfs/dbraw/zinc/98/61/70/439986170.db2.gz TVKCXKQWQYDJSA-JKSUJKDBSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000642253895 439961327 /nfs/dbraw/zinc/96/13/27/439961327.db2.gz PBMOBXPQHGWPEX-WBVHZDCISA-N 1 3 346.475 0.726 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000631947958 440005399 /nfs/dbraw/zinc/00/53/99/440005399.db2.gz RDSNABJNLFTADI-SOUVJXGZSA-N 1 3 333.498 0.486 20 0 ECADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000642785895 440039065 /nfs/dbraw/zinc/03/90/65/440039065.db2.gz PCQYXEGPGOCOGE-DYVFJYSZSA-N 1 3 344.459 0.923 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000642780505 440032305 /nfs/dbraw/zinc/03/23/05/440032305.db2.gz LKHIKUSLDSOQPL-SJORKVTESA-N 1 3 344.459 0.575 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000642780503 440033104 /nfs/dbraw/zinc/03/31/04/440033104.db2.gz LKHIKUSLDSOQPL-IAGOWNOFSA-N 1 3 344.459 0.575 20 0 ECADHO O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014273 439988041 /nfs/dbraw/zinc/98/80/41/439988041.db2.gz IZRBVUQYAUDWCW-ZIAGYGMSSA-N 1 3 332.452 0.277 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000627240609 440062226 /nfs/dbraw/zinc/06/22/26/440062226.db2.gz SZPBWSYJMSKISE-HPBDAGMYSA-N 1 3 346.475 0.919 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000632057255 440063142 /nfs/dbraw/zinc/06/31/42/440063142.db2.gz YETCUOHPSZHBHK-UHFFFAOYSA-N 1 3 347.525 0.845 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000642960179 440069474 /nfs/dbraw/zinc/06/94/74/440069474.db2.gz LBPKOAHVJWXGAG-DLBZAZTESA-N 1 3 344.459 0.573 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000642971429 440074004 /nfs/dbraw/zinc/07/40/04/440074004.db2.gz VXQCNHHRJKBIIW-CABCVRRESA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643000304 440078989 /nfs/dbraw/zinc/07/89/89/440078989.db2.gz FBEXGNRTQXLBDT-NVXWUHKLSA-N 1 3 346.475 0.834 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NCc2cnc(N(C)C)nc2)CC1 ZINC000663503179 440086338 /nfs/dbraw/zinc/08/63/38/440086338.db2.gz GKHFORATHGSLKR-UHFFFAOYSA-N 1 3 334.468 0.623 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000663505595 440090421 /nfs/dbraw/zinc/09/04/21/440090421.db2.gz BBFMEWKGJNBRIW-IRXDYDNUSA-N 1 3 334.464 0.825 20 0 ECADHO CN(C)[C@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000663505595 440090426 /nfs/dbraw/zinc/09/04/26/440090426.db2.gz BBFMEWKGJNBRIW-IRXDYDNUSA-N 1 3 334.464 0.825 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C[C@@H]21 ZINC000642785898 440039609 /nfs/dbraw/zinc/03/96/09/440039609.db2.gz PFZIQTJETXBUDJ-FXUDXRNXSA-N 1 3 334.464 0.173 20 0 ECADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C[C@@H]3CSCCN3)C2)C1 ZINC000653183790 440090953 /nfs/dbraw/zinc/09/09/53/440090953.db2.gz JQAMJDLJSOTLIA-TUVASFSCSA-N 1 3 327.494 0.826 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[NH2+]1 ZINC000627201112 440042828 /nfs/dbraw/zinc/04/28/28/440042828.db2.gz FJLASXWIDYOBMY-KFWWJZLASA-N 1 3 337.468 0.075 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000653380240 440143712 /nfs/dbraw/zinc/14/37/12/440143712.db2.gz LDEYPHCYNUFCER-UHFFFAOYSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000647597418 440099570 /nfs/dbraw/zinc/09/95/70/440099570.db2.gz LUMRFLAIXGGIHS-ZOBUZTSGSA-N 1 3 346.475 0.961 20 0 ECADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663788334 440173177 /nfs/dbraw/zinc/17/31/77/440173177.db2.gz PNYVOLPCMJRJKW-KKUMJFAQSA-N 1 3 326.485 0.813 20 0 ECADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663788334 440173184 /nfs/dbraw/zinc/17/31/84/440173184.db2.gz PNYVOLPCMJRJKW-KKUMJFAQSA-N 1 3 326.485 0.813 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC[C@H]1[NH3+] ZINC000643494641 440187132 /nfs/dbraw/zinc/18/71/32/440187132.db2.gz SDTAYOBLDMIZGS-BZUAXINKSA-N 1 3 336.480 0.659 20 0 ECADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643503534 440190920 /nfs/dbraw/zinc/19/09/20/440190920.db2.gz RXPUCTKDOATKEG-HNNXBMFYSA-N 1 3 336.480 0.661 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000643518424 440194899 /nfs/dbraw/zinc/19/48/99/440194899.db2.gz FAXVSRDHUDQZJL-ZJIFWQFVSA-N 1 3 334.464 0.282 20 0 ECADHO Cc1noc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000663906268 440195887 /nfs/dbraw/zinc/19/58/87/440195887.db2.gz HYTVZNFNJUPKTF-LBPRGKRZSA-N 1 3 326.445 0.492 20 0 ECADHO Cc1noc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000663906268 440195894 /nfs/dbraw/zinc/19/58/94/440195894.db2.gz HYTVZNFNJUPKTF-LBPRGKRZSA-N 1 3 326.445 0.492 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643518712 440198535 /nfs/dbraw/zinc/19/85/35/440198535.db2.gz PKYCXSNMPYTSKZ-FPCVCCKLSA-N 1 3 334.464 0.282 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653390075 440148672 /nfs/dbraw/zinc/14/86/72/440148672.db2.gz RKRWHJVCARLUMI-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653390075 440148677 /nfs/dbraw/zinc/14/86/77/440148677.db2.gz RKRWHJVCARLUMI-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627357137 440148745 /nfs/dbraw/zinc/14/87/45/440148745.db2.gz YLKMJJLTXJUYMQ-DOTOQJQBSA-N 1 3 346.475 0.820 20 0 ECADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627357137 440148753 /nfs/dbraw/zinc/14/87/53/440148753.db2.gz YLKMJJLTXJUYMQ-DOTOQJQBSA-N 1 3 346.475 0.820 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000659023932 440209159 /nfs/dbraw/zinc/20/91/59/440209159.db2.gz BMDGSAVUOSMEMA-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643558261 440211664 /nfs/dbraw/zinc/21/16/64/440211664.db2.gz BHXSAKURDCNYBP-QAPCUYQASA-N 1 3 336.480 0.530 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000643590998 440214380 /nfs/dbraw/zinc/21/43/80/440214380.db2.gz ACZFGFRBPZIWCX-IAGOWNOFSA-N 1 3 344.459 0.669 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000643594589 440217428 /nfs/dbraw/zinc/21/74/28/440217428.db2.gz VLFNDRKYRAYXDO-HZPDHXFCSA-N 1 3 336.480 0.387 20 0 ECADHO CO[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@](C)(CO)C1 ZINC000637265494 440220287 /nfs/dbraw/zinc/22/02/87/440220287.db2.gz QWTKKKLNYNJAAE-YQQAZPJKSA-N 1 3 344.500 0.440 20 0 ECADHO CO[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@](C)(CO)C1 ZINC000637265494 440220292 /nfs/dbraw/zinc/22/02/92/440220292.db2.gz QWTKKKLNYNJAAE-YQQAZPJKSA-N 1 3 344.500 0.440 20 0 ECADHO CCOC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000637266434 440221904 /nfs/dbraw/zinc/22/19/04/440221904.db2.gz XIKYKOIRTMICJE-HOTGVXAUSA-N 1 3 344.500 0.705 20 0 ECADHO CCOC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000637266434 440221910 /nfs/dbraw/zinc/22/19/10/440221910.db2.gz XIKYKOIRTMICJE-HOTGVXAUSA-N 1 3 344.500 0.705 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664075801 440230508 /nfs/dbraw/zinc/23/05/08/440230508.db2.gz BCWNOWVPIOFCFV-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664075801 440230511 /nfs/dbraw/zinc/23/05/11/440230511.db2.gz BCWNOWVPIOFCFV-HNNXBMFYSA-N 1 3 341.500 0.522 20 0 ECADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000643531790 440202704 /nfs/dbraw/zinc/20/27/04/440202704.db2.gz LDAJLFRWULNRCK-QGZVFWFLSA-N 1 3 344.459 0.669 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643531970 440203416 /nfs/dbraw/zinc/20/34/16/440203416.db2.gz KWCGIVSPJVJMTP-UHFFFAOYSA-N 1 3 326.485 0.907 20 0 ECADHO COCCCS(=O)(=O)NCCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977934 440204028 /nfs/dbraw/zinc/20/40/28/440204028.db2.gz JYOUFUPYFJKPKR-HZPDHXFCSA-N 1 3 347.525 0.654 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627498951 440241861 /nfs/dbraw/zinc/24/18/61/440241861.db2.gz SLKGVODAPYNTFM-WMLDXEAASA-N 1 3 346.475 0.963 20 0 ECADHO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000659093783 440240560 /nfs/dbraw/zinc/24/05/60/440240560.db2.gz CNLPECNOXGJSEJ-UHFFFAOYSA-N 1 3 347.463 0.228 20 0 ECADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@H]3CNCCC3(F)F)CC2)C1 ZINC000648177999 440253896 /nfs/dbraw/zinc/25/38/96/440253896.db2.gz HLMDQNGFWWCCAK-HZSPNIEDSA-N 1 3 331.407 0.976 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659105883 440251744 /nfs/dbraw/zinc/25/17/44/440251744.db2.gz ZCEPOLUBTHJYJQ-UHFFFAOYSA-N 1 3 346.431 0.564 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000664222445 440263053 /nfs/dbraw/zinc/26/30/53/440263053.db2.gz VOZDFALCBGVZCC-HZPDHXFCSA-N 1 3 327.517 0.899 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000664459181 440314295 /nfs/dbraw/zinc/31/42/95/440314295.db2.gz UQESADAOYOYCFS-ZFWWWQNUSA-N 1 3 336.484 0.838 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000664459181 440314298 /nfs/dbraw/zinc/31/42/98/440314298.db2.gz UQESADAOYOYCFS-ZFWWWQNUSA-N 1 3 336.484 0.838 20 0 ECADHO CN(C)CCn1c2cc(C(=O)N[C@@H]3CCC[NH2+]C3)ccc2[nH]c1=O ZINC000637805382 440338372 /nfs/dbraw/zinc/33/83/72/440338372.db2.gz LPSQIROFIGIOKI-CYBMUJFWSA-N 1 3 331.420 0.785 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659553645 440362022 /nfs/dbraw/zinc/36/20/22/440362022.db2.gz BTZVUMQEVAFTSX-MUIFIZLQSA-N 1 3 336.480 0.927 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000659445295 440328609 /nfs/dbraw/zinc/32/86/09/440328609.db2.gz QPTOMRGAUALUNR-HNNXBMFYSA-N 1 3 334.468 0.501 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000659449294 440328694 /nfs/dbraw/zinc/32/86/94/440328694.db2.gz WWBDWUXKDHLKRC-ZDUSSCGKSA-N 1 3 335.452 0.385 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000659683728 440419615 /nfs/dbraw/zinc/41/96/15/440419615.db2.gz AXKMZHWJHXQLEO-OAHLLOKOSA-N 1 3 336.480 0.435 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659685153 440419690 /nfs/dbraw/zinc/41/96/90/440419690.db2.gz ONKZWYHDBVBFSV-OAGGEKHMSA-N 1 3 338.496 0.953 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000659690698 440425347 /nfs/dbraw/zinc/42/53/47/440425347.db2.gz SCCGGBZZPHQHAE-KBPBESRZSA-N 1 3 347.463 0.447 20 0 ECADHO CN1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000649274391 440426796 /nfs/dbraw/zinc/42/67/96/440426796.db2.gz IOGLMPHKMWSCFI-SFHVURJKSA-N 1 3 345.491 0.300 20 0 ECADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659629479 440383256 /nfs/dbraw/zinc/38/32/56/440383256.db2.gz UVOYUQNTKLZXGQ-OAHLLOKOSA-N 1 3 348.451 0.561 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000659636112 440386257 /nfs/dbraw/zinc/38/62/57/440386257.db2.gz JSRGCIRLPSEFIP-HOCLYGCPSA-N 1 3 349.479 0.183 20 0 ECADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000659633128 440386646 /nfs/dbraw/zinc/38/66/46/440386646.db2.gz PXOVZZVZQUILKF-CYBMUJFWSA-N 1 3 334.424 0.411 20 0 ECADHO O=C(CN1CC[NH2+]CC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000638085813 440428665 /nfs/dbraw/zinc/42/86/65/440428665.db2.gz TWVVUIZTUGMYOO-OAHLLOKOSA-N 1 3 336.505 0.982 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659673730 440407460 /nfs/dbraw/zinc/40/74/60/440407460.db2.gz GUBWHTAEXVZIFF-INIZCTEOSA-N 1 3 346.475 0.663 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659674641 440410308 /nfs/dbraw/zinc/41/03/08/440410308.db2.gz NRYFHWBJKNLYEB-OAHLLOKOSA-N 1 3 334.464 0.471 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])N(C)Cc1ccccc1 ZINC000659679008 440413959 /nfs/dbraw/zinc/41/39/59/440413959.db2.gz QTLUOTHWTRCSAI-CQSZACIVSA-N 1 3 334.464 0.819 20 0 ECADHO COC1CC[NH+](C2(CNC(=O)COC3(C)CNC3)CCCC2)CC1 ZINC000649328377 440465166 /nfs/dbraw/zinc/46/51/66/440465166.db2.gz USNAAXVVVAAZAZ-UHFFFAOYSA-N 1 3 339.480 0.905 20 0 ECADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)COC2(C)CNC2)[C@H](C)C1 ZINC000649334452 440468934 /nfs/dbraw/zinc/46/89/34/440468934.db2.gz JILNSRKGLIGOSV-HUUCEWRRSA-N 1 3 327.469 0.618 20 0 ECADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)COC2(C)CNC2)[C@H](C)C1 ZINC000649334452 440468937 /nfs/dbraw/zinc/46/89/37/440468937.db2.gz JILNSRKGLIGOSV-HUUCEWRRSA-N 1 3 327.469 0.618 20 0 ECADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659734754 440471815 /nfs/dbraw/zinc/47/18/15/440471815.db2.gz BVNMHJRXQPMXAJ-ILXRZTDVSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638206026 440479329 /nfs/dbraw/zinc/47/93/29/440479329.db2.gz KNRVEOHWMFACJE-VHSXEESVSA-N 1 3 342.394 0.963 20 0 ECADHO CC1CC[NH+](CCCCNC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000659697818 440431653 /nfs/dbraw/zinc/43/16/53/440431653.db2.gz FGNJIFASTDKVNS-UHFFFAOYSA-N 1 3 336.480 0.564 20 0 ECADHO [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000633091808 440437998 /nfs/dbraw/zinc/43/79/98/440437998.db2.gz YCAMWUOXWPVABK-JKSUJKDBSA-N 1 3 336.480 0.803 20 0 ECADHO COCCC[NH+]1CCC(NC(=O)[C@@]2(COC)CCCCN2)CC1 ZINC000638101181 440438770 /nfs/dbraw/zinc/43/87/70/440438770.db2.gz UPDPOVMAQCNIIO-KRWDZBQOSA-N 1 3 327.469 0.762 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659715187 440448298 /nfs/dbraw/zinc/44/82/98/440448298.db2.gz OWBPPCFDIBLFEQ-HUUCEWRRSA-N 1 3 336.480 0.625 20 0 ECADHO COC[C@]1(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCN1 ZINC000638119027 440449387 /nfs/dbraw/zinc/44/93/87/440449387.db2.gz HAGUHMPLMORJHG-YJBOKZPZSA-N 1 3 339.480 0.762 20 0 ECADHO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000633107933 440450017 /nfs/dbraw/zinc/45/00/17/440450017.db2.gz CKWQIAZQXMTWFQ-UHFFFAOYSA-N 1 3 348.491 0.803 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659716652 440452099 /nfs/dbraw/zinc/45/20/99/440452099.db2.gz BODBUYSWIXNJEF-LSDHHAIUSA-N 1 3 342.484 0.045 20 0 ECADHO CN1CC[C@](O)(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000655000604 440455413 /nfs/dbraw/zinc/45/54/13/440455413.db2.gz WASMICDDSFTMCP-ZBFHGGJFSA-N 1 3 327.494 0.387 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659719505 440456024 /nfs/dbraw/zinc/45/60/24/440456024.db2.gz VWHYWAOOYWRSAH-CQSZACIVSA-N 1 3 347.463 0.121 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000659722161 440457855 /nfs/dbraw/zinc/45/78/55/440457855.db2.gz FKJSYIHPXIDBRA-QAPCUYQASA-N 1 3 338.496 0.729 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659721465 440458796 /nfs/dbraw/zinc/45/87/96/440458796.db2.gz GLZCYMBCYYOUIX-INIZCTEOSA-N 1 3 338.496 0.858 20 0 ECADHO CC[NH+]1CCN(CCCNC(=O)[C@@H](N)c2cccc(OC)c2)CC1 ZINC000638137859 440459729 /nfs/dbraw/zinc/45/97/29/440459729.db2.gz PKOIFELDZXSPBZ-KRWDZBQOSA-N 1 3 334.464 0.839 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000659751625 440490592 /nfs/dbraw/zinc/49/05/92/440490592.db2.gz WCFCNWQXBIRHFN-OAHLLOKOSA-N 1 3 346.475 0.834 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000659758192 440492775 /nfs/dbraw/zinc/49/27/75/440492775.db2.gz YVCCXOPNHNUGLL-NVXWUHKLSA-N 1 3 346.475 0.486 20 0 ECADHO [NH3+]C1(CC(=O)NC[C@@H]2CNCCO2)CCN(Cc2ccccc2)CC1 ZINC000638337197 440513994 /nfs/dbraw/zinc/51/39/94/440513994.db2.gz CRBZBDHGUUEFMQ-KRWDZBQOSA-N 1 3 346.475 0.475 20 0 ECADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@H]3C[NH2+]CCO3)cc21 ZINC000638337936 440515195 /nfs/dbraw/zinc/51/51/95/440515195.db2.gz NJAJILZOCIIZCE-CYBMUJFWSA-N 1 3 347.419 0.022 20 0 ECADHO COc1cccc(C[C@@H](N)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000638424963 440532757 /nfs/dbraw/zinc/53/27/57/440532757.db2.gz NEMHWWVBYAKGME-FUHWJXTLSA-N 1 3 347.459 0.935 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](OCCO)C1 ZINC000665761616 440524427 /nfs/dbraw/zinc/52/44/27/440524427.db2.gz KHLIVEFNZSRIGS-JKSUJKDBSA-N 1 3 344.500 0.441 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](OCCO)C1 ZINC000665761616 440524432 /nfs/dbraw/zinc/52/44/32/440524432.db2.gz KHLIVEFNZSRIGS-JKSUJKDBSA-N 1 3 344.500 0.441 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)[C@](C)(CO)C1 ZINC000665764529 440528386 /nfs/dbraw/zinc/52/83/86/440528386.db2.gz HVSBADQKOQEQDM-ZOBUZTSGSA-N 1 3 328.501 0.918 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)[C@](C)(CO)C1 ZINC000665764529 440528390 /nfs/dbraw/zinc/52/83/90/440528390.db2.gz HVSBADQKOQEQDM-ZOBUZTSGSA-N 1 3 328.501 0.918 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000659744336 440481631 /nfs/dbraw/zinc/48/16/31/440481631.db2.gz JGMVCDOOMFJWTR-QLFBSQMISA-N 1 3 326.485 0.713 20 0 ECADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000638226323 440481822 /nfs/dbraw/zinc/48/18/22/440481822.db2.gz OFQGQKFYAZWOEJ-LSDHHAIUSA-N 1 3 337.468 0.063 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3COC[C@@H]3O)CC2)CC1 ZINC000633857074 440555291 /nfs/dbraw/zinc/55/52/91/440555291.db2.gz LTKVYDVQGFXKNG-CVEARBPZSA-N 1 3 325.453 0.059 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655447642 440564073 /nfs/dbraw/zinc/56/40/73/440564073.db2.gz BKDOWZIHVTYAAG-YJBOKZPZSA-N 1 3 336.480 0.435 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000638590714 440576427 /nfs/dbraw/zinc/57/64/27/440576427.db2.gz NZPAYYXXJHQBKK-KRWDZBQOSA-N 1 3 334.464 0.988 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000638729967 440609627 /nfs/dbraw/zinc/60/96/27/440609627.db2.gz VJEGSMDQALIGNJ-QGZVFWFLSA-N 1 3 339.480 0.716 20 0 ECADHO NCc1ccc2c(c1)N(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)CCO2 ZINC000638804525 440629069 /nfs/dbraw/zinc/62/90/69/440629069.db2.gz BVZBLTSXFKZVFQ-ZDUSSCGKSA-N 1 3 332.404 0.129 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655926341 440647203 /nfs/dbraw/zinc/64/72/03/440647203.db2.gz CVPACVPEAKPCBQ-PWSUYJOCSA-N 1 3 338.374 0.771 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3COCC[C@H]3O)CC2)CC1 ZINC000634465361 440658820 /nfs/dbraw/zinc/65/88/20/440658820.db2.gz YZRLEFSDESZTNN-IAGOWNOFSA-N 1 3 339.480 0.449 20 0 ECADHO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cn1 ZINC000650470256 440646657 /nfs/dbraw/zinc/64/66/57/440646657.db2.gz BUVPQBJQHAFOAP-CQSZACIVSA-N 1 3 338.456 0.413 20 0 ECADHO CC1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[NH2+]CC1 ZINC000656025081 440694425 /nfs/dbraw/zinc/69/44/25/440694425.db2.gz XKXCEAQWQKDGPU-HUUCEWRRSA-N 1 3 336.480 0.625 20 0 ECADHO COCC1(NCC(=O)NC2CC[NH+](C(C)C)CC2)CCOCC1 ZINC000660636381 440698035 /nfs/dbraw/zinc/69/80/35/440698035.db2.gz SWNFUTHZHUWPKZ-UHFFFAOYSA-N 1 3 327.469 0.761 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634740884 440700704 /nfs/dbraw/zinc/70/07/04/440700704.db2.gz LOVBLZZPZWDIOT-QRQLOZEOSA-N 1 3 330.476 0.904 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000666923899 440709151 /nfs/dbraw/zinc/70/91/51/440709151.db2.gz UIOGVBPOKBCZTO-MRXNPFEDSA-N 1 3 325.501 0.750 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000666923899 440709154 /nfs/dbraw/zinc/70/91/54/440709154.db2.gz UIOGVBPOKBCZTO-MRXNPFEDSA-N 1 3 325.501 0.750 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656302446 440755137 /nfs/dbraw/zinc/75/51/37/440755137.db2.gz JHOQWJVUUKYUMY-HRCADAONSA-N 1 3 338.496 0.966 20 0 ECADHO O=C1COc2ccccc2N1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629563108 440728924 /nfs/dbraw/zinc/72/89/24/440728924.db2.gz DXFKXYLEYWZVEV-OAHLLOKOSA-N 1 3 333.432 0.848 20 0 ECADHO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000629560117 440729207 /nfs/dbraw/zinc/72/92/07/440729207.db2.gz DDMMWVXTUQHFEG-HUUCEWRRSA-N 1 3 332.448 0.411 20 0 ECADHO CN(C)C(=O)[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000660801441 440732389 /nfs/dbraw/zinc/73/23/89/440732389.db2.gz PWLVYRDQEFGAQJ-DOOVEFGSSA-N 1 3 336.480 0.363 20 0 ECADHO CN(C)C(=O)[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000660801441 440732393 /nfs/dbraw/zinc/73/23/93/440732393.db2.gz PWLVYRDQEFGAQJ-DOOVEFGSSA-N 1 3 336.480 0.363 20 0 ECADHO O[C@@H](CNCc1ccccc1CN1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000629574895 440734874 /nfs/dbraw/zinc/73/48/74/440734874.db2.gz PTDFCVORFJKVTG-MOPGFXCFSA-N 1 3 333.476 0.800 20 0 ECADHO Cc1cnc(OC2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)nc1 ZINC000656193889 440744432 /nfs/dbraw/zinc/74/44/32/440744432.db2.gz XEUKQAIFSYBNAF-OAHLLOKOSA-N 1 3 347.463 0.826 20 0 ECADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1C ZINC000629798705 440766157 /nfs/dbraw/zinc/76/61/57/440766157.db2.gz BQMYFKDPHNJPRF-IHETXDGRSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645235926 440768900 /nfs/dbraw/zinc/76/89/00/440768900.db2.gz ZETHSHQYXPDJIW-DZGCQCFKSA-N 1 3 337.468 0.232 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645235926 440768904 /nfs/dbraw/zinc/76/89/04/440768904.db2.gz ZETHSHQYXPDJIW-DZGCQCFKSA-N 1 3 337.468 0.232 20 0 ECADHO CC(=O)NCC(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000651207093 440769608 /nfs/dbraw/zinc/76/96/08/440769608.db2.gz HIWWWBASZJTZET-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000645263680 440772952 /nfs/dbraw/zinc/77/29/52/440772952.db2.gz STFPGDNBLRMLRH-AWEZNQCLSA-N 1 3 339.484 0.480 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1=CC[N@H+](C)CC1 ZINC000656336216 440774776 /nfs/dbraw/zinc/77/47/76/440774776.db2.gz XRXUFQZWNVTOEL-BHYGNILZSA-N 1 3 348.491 0.886 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1=CC[N@@H+](C)CC1 ZINC000656336216 440774780 /nfs/dbraw/zinc/77/47/80/440774780.db2.gz XRXUFQZWNVTOEL-BHYGNILZSA-N 1 3 348.491 0.886 20 0 ECADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656359156 440790695 /nfs/dbraw/zinc/79/06/95/440790695.db2.gz OFDYAOMVVFHEFV-OWCLPIDISA-N 1 3 336.480 0.672 20 0 ECADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000635687950 440950263 /nfs/dbraw/zinc/95/02/63/440950263.db2.gz BFURVBVPOOEDHN-QGZVFWFLSA-N 1 3 331.460 0.864 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000635698710 440955015 /nfs/dbraw/zinc/95/50/15/440955015.db2.gz FCMUTCFYROOSSU-IRXDYDNUSA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000635698710 440955021 /nfs/dbraw/zinc/95/50/21/440955021.db2.gz FCMUTCFYROOSSU-IRXDYDNUSA-N 1 3 341.496 0.914 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NCc3cn(C[C@H]4CCOC4)nn3)C2)CC1 ZINC000631070307 441005493 /nfs/dbraw/zinc/00/54/93/441005493.db2.gz UCSPFLVOLMNXOS-CVEARBPZSA-N 1 3 348.495 0.573 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NCc3cn(C[C@H]4CCOC4)nn3)C2)CC1 ZINC000631070307 441005500 /nfs/dbraw/zinc/00/55/00/441005500.db2.gz UCSPFLVOLMNXOS-CVEARBPZSA-N 1 3 348.495 0.573 20 0 ECADHO CN(C)C(=O)CC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338019 441016901 /nfs/dbraw/zinc/01/69/01/441016901.db2.gz OWYHVEPEXOSQRH-CQSZACIVSA-N 1 3 334.468 0.477 20 0 ECADHO CN(C)C(=O)CC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338019 441016909 /nfs/dbraw/zinc/01/69/09/441016909.db2.gz OWYHVEPEXOSQRH-CQSZACIVSA-N 1 3 334.468 0.477 20 0 ECADHO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337056 441017679 /nfs/dbraw/zinc/01/76/79/441017679.db2.gz IUQAIQFFRKKUBI-OAHLLOKOSA-N 1 3 348.495 0.867 20 0 ECADHO CCN(C)C(=O)CC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337056 441017684 /nfs/dbraw/zinc/01/76/84/441017684.db2.gz IUQAIQFFRKKUBI-OAHLLOKOSA-N 1 3 348.495 0.867 20 0 ECADHO COCCN(C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652145354 441018946 /nfs/dbraw/zinc/01/89/46/441018946.db2.gz LOHNGZCJHNJCBB-HRCADAONSA-N 1 3 342.484 0.493 20 0 ECADHO CN1CCN(CCNC(=O)NCCC2CC[NH2+]CC2)CC1(C)C ZINC000652188279 441027982 /nfs/dbraw/zinc/02/79/82/441027982.db2.gz HVBIUDFBVUGLLW-UHFFFAOYSA-N 1 3 325.501 0.701 20 0 ECADHO CN(C)CC[N@H+](C)CCCNC(=O)C(C)(C)CN1CCOCC1 ZINC000635935152 441042823 /nfs/dbraw/zinc/04/28/23/441042823.db2.gz YWEUYLLLFAWHQO-UHFFFAOYSA-N 1 3 328.501 0.345 20 0 ECADHO CN(C)CC[N@@H+](C)CCCNC(=O)C(C)(C)CN1CCOCC1 ZINC000635935152 441042827 /nfs/dbraw/zinc/04/28/27/441042827.db2.gz YWEUYLLLFAWHQO-UHFFFAOYSA-N 1 3 328.501 0.345 20 0 ECADHO CN(CCCNC(=O)C(C)(C)CN1CCOCC1)CC[NH+](C)C ZINC000635935152 441042828 /nfs/dbraw/zinc/04/28/28/441042828.db2.gz YWEUYLLLFAWHQO-UHFFFAOYSA-N 1 3 328.501 0.345 20 0 ECADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345584 441053766 /nfs/dbraw/zinc/05/37/66/441053766.db2.gz GFIJREKJYMIDFG-ALYAQQCSSA-N 1 3 339.480 0.888 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000635970015 441054697 /nfs/dbraw/zinc/05/46/97/441054697.db2.gz FLSQEEJYVFLVSI-QGZVFWFLSA-N 1 3 327.469 0.526 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000635970015 441054700 /nfs/dbraw/zinc/05/47/00/441054700.db2.gz FLSQEEJYVFLVSI-QGZVFWFLSA-N 1 3 327.469 0.526 20 0 ECADHO CN(Cc1ccccc1)C[C@H](O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641215142 441076792 /nfs/dbraw/zinc/07/67/92/441076792.db2.gz NXXYUEBUZNXVNT-AEFFLSMTSA-N 1 3 329.448 0.923 20 0 ECADHO COCCN(C)C[C@@H](O)Cn1cc(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000641223606 441079884 /nfs/dbraw/zinc/07/98/84/441079884.db2.gz PEEWPRWFAQXJRT-SJORKVTESA-N 1 3 333.436 0.460 20 0 ECADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCCC[C@H]3CN)C2)CC1 ZINC000332724020 320911776 /nfs/dbraw/zinc/91/17/76/320911776.db2.gz XYRCVSOEUPHNRU-CVEARBPZSA-N 1 3 336.480 0.517 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000339667680 320994741 /nfs/dbraw/zinc/99/47/41/320994741.db2.gz KAPFHDWXFSYVHQ-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000340218819 321023948 /nfs/dbraw/zinc/02/39/48/321023948.db2.gz VQMCDCLBIZVTJP-CABCVRRESA-N 1 3 336.480 0.601 20 0 ECADHO C[C@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000340218819 321023950 /nfs/dbraw/zinc/02/39/50/321023950.db2.gz VQMCDCLBIZVTJP-CABCVRRESA-N 1 3 336.480 0.601 20 0 ECADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C(C)C)CC2)CC1 ZINC000341242666 321052597 /nfs/dbraw/zinc/05/25/97/321052597.db2.gz XIBFBJWICVKWRW-QGZVFWFLSA-N 1 3 339.528 0.996 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342053001 321074102 /nfs/dbraw/zinc/07/41/02/321074102.db2.gz HDUZXQHCLITLJG-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342053001 321074104 /nfs/dbraw/zinc/07/41/04/321074104.db2.gz HDUZXQHCLITLJG-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N(C)C1CC1 ZINC000342062668 321074580 /nfs/dbraw/zinc/07/45/80/321074580.db2.gz MUFLOVQLDUIWLU-CABCVRRESA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000343157457 321125398 /nfs/dbraw/zinc/12/53/98/321125398.db2.gz ZPPJUVFQSJVGSK-XUWVNRHRSA-N 1 3 340.512 0.925 20 0 ECADHO COCCN1CC[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344195311 321143060 /nfs/dbraw/zinc/14/30/60/321143060.db2.gz IMDBBKXFIQAKEA-OALUTQOASA-N 1 3 333.476 0.934 20 0 ECADHO COCCN1CC[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344195311 321143062 /nfs/dbraw/zinc/14/30/62/321143062.db2.gz IMDBBKXFIQAKEA-OALUTQOASA-N 1 3 333.476 0.934 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000346157384 321216606 /nfs/dbraw/zinc/21/66/06/321216606.db2.gz KKFKMZXUWWNMFY-FPCVCCKLSA-N 1 3 340.512 0.925 20 0 ECADHO C[C@H](CN(C)C)NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000346157384 321216607 /nfs/dbraw/zinc/21/66/07/321216607.db2.gz KKFKMZXUWWNMFY-FPCVCCKLSA-N 1 3 340.512 0.925 20 0 ECADHO Cc1nc(NCCN2CCCCC2)nc(NCC[NH+]2CCCCC2)n1 ZINC000359576031 321603464 /nfs/dbraw/zinc/60/34/64/321603464.db2.gz AIKOEOYEQAUJJV-UHFFFAOYSA-N 1 3 347.511 0.819 20 0 ECADHO C[C@@H]1CN(C[C@H](O)CC2(O)CCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000528434632 322025093 /nfs/dbraw/zinc/02/50/93/322025093.db2.gz XBSCCRRDNYWPNB-BRWVUGGUSA-N 1 3 325.497 0.610 20 0 ECADHO COCC[N@H+](C)CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531049959 322034956 /nfs/dbraw/zinc/03/49/56/322034956.db2.gz NKTRDUUAFRFGNY-IBGZPJMESA-N 1 3 349.475 0.708 20 0 ECADHO COCC[N@@H+](C)CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531049959 322034958 /nfs/dbraw/zinc/03/49/58/322034958.db2.gz NKTRDUUAFRFGNY-IBGZPJMESA-N 1 3 349.475 0.708 20 0 ECADHO CN1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[C@@H]1c1ccccc1 ZINC000545883225 322110708 /nfs/dbraw/zinc/11/07/08/322110708.db2.gz BDFDZFUCIIBFQO-RYRKJORJSA-N 1 3 332.448 0.798 20 0 ECADHO CN1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[C@@H]1c1ccccc1 ZINC000545883225 322110710 /nfs/dbraw/zinc/11/07/10/322110710.db2.gz BDFDZFUCIIBFQO-RYRKJORJSA-N 1 3 332.448 0.798 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccs1 ZINC000555645426 322186062 /nfs/dbraw/zinc/18/60/62/322186062.db2.gz YXPKWDACWCRAEZ-UHFFFAOYSA-N 1 3 326.466 0.316 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000557013333 322202201 /nfs/dbraw/zinc/20/22/01/322202201.db2.gz KDLHAFBDPWFAQL-IUODEOHRSA-N 1 3 348.447 0.810 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc([S@](C)=O)cc1 ZINC000559592269 322222469 /nfs/dbraw/zinc/22/24/69/322222469.db2.gz IKFDVEONDFXVIO-QHCPKHFHSA-N 1 3 339.505 0.918 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cn1 ZINC000559965564 322227660 /nfs/dbraw/zinc/22/76/60/322227660.db2.gz XVYSOVKSUCWKMS-UHFFFAOYSA-N 1 3 325.388 0.111 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000561185817 322255217 /nfs/dbraw/zinc/25/52/17/322255217.db2.gz JZAJOBQFTLZEEB-SJLPKXTDSA-N 1 3 345.491 0.711 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000561256815 322257762 /nfs/dbraw/zinc/25/77/62/322257762.db2.gz PFXNNEKGKNCSHY-GJZGRUSLSA-N 1 3 326.485 0.870 20 0 ECADHO O=C(C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000563139897 322300436 /nfs/dbraw/zinc/30/04/36/322300436.db2.gz LBHIZIMEOCYFFJ-IRXDYDNUSA-N 1 3 348.491 0.770 20 0 ECADHO Cc1cc(C)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)n1 ZINC000563183831 322303345 /nfs/dbraw/zinc/30/33/45/322303345.db2.gz HMNUMSZPPHXPIJ-UHFFFAOYSA-N 1 3 349.479 0.897 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000563639010 322336329 /nfs/dbraw/zinc/33/63/29/322336329.db2.gz YGNKJMASCVKHKE-XHSDSOJGSA-N 1 3 338.496 0.727 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000563692669 322338937 /nfs/dbraw/zinc/33/89/37/322338937.db2.gz QJWDWCXQUXKMDA-HOTGVXAUSA-N 1 3 325.501 0.925 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000563692669 322338940 /nfs/dbraw/zinc/33/89/40/322338940.db2.gz QJWDWCXQUXKMDA-HOTGVXAUSA-N 1 3 325.501 0.925 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCOC2(CNC2)C1 ZINC000566727522 322550592 /nfs/dbraw/zinc/55/05/92/322550592.db2.gz MAVIHNUGYQTPBA-UHFFFAOYSA-N 1 3 348.447 0.511 20 0 ECADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc2c(c1F)CCNC2 ZINC000570280957 322682262 /nfs/dbraw/zinc/68/22/62/322682262.db2.gz UJZMHJWDMZXACR-CQSZACIVSA-N 1 3 334.395 0.668 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000577214563 322828651 /nfs/dbraw/zinc/82/86/51/322828651.db2.gz KZWBNQUBOZGADS-HRCADAONSA-N 1 3 334.464 0.141 20 0 ECADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NC2CNC2)CC1 ZINC000577593904 322839869 /nfs/dbraw/zinc/83/98/69/322839869.db2.gz ADORWHHRIKWZKS-ZDUSSCGKSA-N 1 3 330.432 0.416 20 0 ECADHO N[C@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000577750690 322845341 /nfs/dbraw/zinc/84/53/41/322845341.db2.gz RSUAXGOPIXFNSF-MDZRGWNJSA-N 1 3 344.459 0.840 20 0 ECADHO O[C@@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)Cn1cccn1 ZINC000577948164 322850855 /nfs/dbraw/zinc/85/08/55/322850855.db2.gz PTGSKGMOHKIGIT-IBGZPJMESA-N 1 3 344.459 0.991 20 0 ECADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)cc1 ZINC000578726639 322872540 /nfs/dbraw/zinc/87/25/40/322872540.db2.gz NDKPJNZGPACOGX-AWEZNQCLSA-N 1 3 349.479 0.597 20 0 ECADHO O=C(N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011687 782134388 /nfs/dbraw/zinc/13/43/88/782134388.db2.gz BSHUYBOUFZSBDH-BZUAXINKSA-N 1 3 337.464 0.060 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262677708 535890254 /nfs/dbraw/zinc/89/02/54/535890254.db2.gz UHLAHKGPYCAOCO-JKSUJKDBSA-N 1 3 332.448 0.722 20 0 ECADHO C[C@@H](CN(C)C)NC(=O)c1cccc(C(=O)N[C@@H](C)C[NH+](C)C)n1 ZINC000288280984 545977153 /nfs/dbraw/zinc/97/71/53/545977153.db2.gz SDMAEPWACMONII-STQMWFEESA-N 1 3 335.452 0.441 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000343019184 546093280 /nfs/dbraw/zinc/09/32/80/546093280.db2.gz YKZOUDPWXMAHSP-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC[C@H](C)[N@@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430268015 546222487 /nfs/dbraw/zinc/22/24/87/546222487.db2.gz HZNYLOZJQWRTOV-BMGDILEWSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CCN(CC[C@H](C)[N@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430268015 546222491 /nfs/dbraw/zinc/22/24/91/546222491.db2.gz HZNYLOZJQWRTOV-BMGDILEWSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CCN([C@@H](C)CC[N@@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430268015 546222494 /nfs/dbraw/zinc/22/24/94/546222494.db2.gz HZNYLOZJQWRTOV-BMGDILEWSA-N 1 3 338.496 0.681 20 0 ECADHO CNC(=O)[C@]1(C)CCN([C@@H](C)CC[N@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430268015 546222497 /nfs/dbraw/zinc/22/24/97/546222497.db2.gz HZNYLOZJQWRTOV-BMGDILEWSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621838257 546571161 /nfs/dbraw/zinc/57/11/61/546571161.db2.gz AULAJDFPWPNNRL-RKVPGOIHSA-N 1 3 336.480 0.707 20 0 ECADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625448077 547104107 /nfs/dbraw/zinc/10/41/07/547104107.db2.gz DLUMKZJUJJDGDU-INIZCTEOSA-N 1 3 336.480 0.674 20 0 ECADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000625460532 547106930 /nfs/dbraw/zinc/10/69/30/547106930.db2.gz PLRSLPPTNSHFMK-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)[C@]1(CNC(=O)c2cnnn2C2CC[NH2+]CC2)CCSC1 ZINC000662488922 547457930 /nfs/dbraw/zinc/45/79/30/547457930.db2.gz AOUVVWMJYXJDPK-HNNXBMFYSA-N 1 3 338.481 0.370 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000668426801 547652256 /nfs/dbraw/zinc/65/22/56/547652256.db2.gz WFAHVPWHZSUAKJ-MRXNPFEDSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+](C)C1(CNC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCCC1 ZINC000668613462 547701298 /nfs/dbraw/zinc/70/12/98/547701298.db2.gz RLWOBFYPARJVDG-OAHLLOKOSA-N 1 3 349.483 0.958 20 0 ECADHO CN1CCC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000669402940 547885619 /nfs/dbraw/zinc/88/56/19/547885619.db2.gz BEICQFXDRWCZMS-VXGBXAGGSA-N 1 3 337.390 0.216 20 0 ECADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCNC[C@](C)(F)C3)C2)CC1 ZINC000669484158 547894947 /nfs/dbraw/zinc/89/49/47/547894947.db2.gz FTCNHRSLVYOTHY-PBHICJAKSA-N 1 3 341.475 0.498 20 0 ECADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCNC[C@](C)(F)C3)C2)CC1 ZINC000669484158 547894949 /nfs/dbraw/zinc/89/49/49/547894949.db2.gz FTCNHRSLVYOTHY-PBHICJAKSA-N 1 3 341.475 0.498 20 0 ECADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCNC[C@](C)(F)C3)C2)CC1 ZINC000669484158 547894951 /nfs/dbraw/zinc/89/49/51/547894951.db2.gz FTCNHRSLVYOTHY-PBHICJAKSA-N 1 3 341.475 0.498 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000670629972 548032649 /nfs/dbraw/zinc/03/26/49/548032649.db2.gz ATJKQFQDFLMXSK-UHFFFAOYSA-N 1 3 345.447 0.331 20 0 ECADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000670783179 548047425 /nfs/dbraw/zinc/04/74/25/548047425.db2.gz QTHLWFJQYXUADC-HNNXBMFYSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000670783696 548049805 /nfs/dbraw/zinc/04/98/05/548049805.db2.gz NWWWFYCXWPJLDM-BBRMVZONSA-N 1 3 334.464 0.425 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000671375825 548131074 /nfs/dbraw/zinc/13/10/74/548131074.db2.gz YURBKKWOMKYZQV-INIZCTEOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000672008423 548252962 /nfs/dbraw/zinc/25/29/62/548252962.db2.gz KCGQYOGVGHTKDR-CJNGLKHVSA-N 1 3 336.480 0.433 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672303936 548300441 /nfs/dbraw/zinc/30/04/41/548300441.db2.gz BKOHJYOUHDLFNY-ZACQAIPSSA-N 1 3 348.491 0.672 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672303936 548300445 /nfs/dbraw/zinc/30/04/45/548300445.db2.gz BKOHJYOUHDLFNY-ZACQAIPSSA-N 1 3 348.491 0.672 20 0 ECADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672310110 548307439 /nfs/dbraw/zinc/30/74/39/548307439.db2.gz HAYHWHQRUOBOSS-HZPDHXFCSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCN1C ZINC000672593744 548358195 /nfs/dbraw/zinc/35/81/95/548358195.db2.gz PAYRWBQDMHZNDW-BZUAXINKSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000672593557 548358308 /nfs/dbraw/zinc/35/83/08/548358308.db2.gz XWQMTLHSGSRPOS-JONQDZQNSA-N 1 3 336.480 0.671 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000672593557 548358311 /nfs/dbraw/zinc/35/83/11/548358311.db2.gz XWQMTLHSGSRPOS-JONQDZQNSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000672698929 548375949 /nfs/dbraw/zinc/37/59/49/548375949.db2.gz VLOYPUBSFRPMFD-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000676088623 548786527 /nfs/dbraw/zinc/78/65/27/548786527.db2.gz CQMQUDNRPWSHRV-GJZGRUSLSA-N 1 3 348.451 0.126 20 0 ECADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000676088623 548786531 /nfs/dbraw/zinc/78/65/31/548786531.db2.gz CQMQUDNRPWSHRV-GJZGRUSLSA-N 1 3 348.451 0.126 20 0 ECADHO CN(CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CCSC1 ZINC000677889376 548967303 /nfs/dbraw/zinc/96/73/03/548967303.db2.gz ZAMFIGSIBANICQ-GDBMZVCRSA-N 1 3 340.537 0.708 20 0 ECADHO CN(CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCSC1 ZINC000677889376 548967305 /nfs/dbraw/zinc/96/73/05/548967305.db2.gz ZAMFIGSIBANICQ-GDBMZVCRSA-N 1 3 340.537 0.708 20 0 ECADHO CN(CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000677889376 548967309 /nfs/dbraw/zinc/96/73/09/548967309.db2.gz ZAMFIGSIBANICQ-GDBMZVCRSA-N 1 3 340.537 0.708 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000681161221 549228269 /nfs/dbraw/zinc/22/82/69/549228269.db2.gz QMFOIHSRDDCXJT-RDJZCZTQSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000681161221 549228276 /nfs/dbraw/zinc/22/82/76/549228276.db2.gz QMFOIHSRDDCXJT-RDJZCZTQSA-N 1 3 337.512 0.796 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000685309773 549676638 /nfs/dbraw/zinc/67/66/38/549676638.db2.gz JOTCCXWJRWVZQE-VRKREXBASA-N 1 3 336.480 0.526 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000685309773 549676642 /nfs/dbraw/zinc/67/66/42/549676642.db2.gz JOTCCXWJRWVZQE-VRKREXBASA-N 1 3 336.480 0.526 20 0 ECADHO O=C1CN(CCCCCCCC[N@@H+]2CCCNC(=O)C2)CCCN1 ZINC000748812635 579329029 /nfs/dbraw/zinc/32/90/29/579329029.db2.gz LCGUJLLOJCWFDD-UHFFFAOYSA-N 1 3 338.496 0.971 20 0 ECADHO O=C1CN(CCCCCCCC[N@H+]2CCCNC(=O)C2)CCCN1 ZINC000748812635 579329030 /nfs/dbraw/zinc/32/90/30/579329030.db2.gz LCGUJLLOJCWFDD-UHFFFAOYSA-N 1 3 338.496 0.971 20 0 ECADHO CN1CCC(NC(=S)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000734308578 578356151 /nfs/dbraw/zinc/35/61/51/578356151.db2.gz HUXRFBPJOPRERI-UHFFFAOYSA-N 1 3 328.526 0.734 20 0 ECADHO CN1CCC(NC(=S)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000734308578 578356152 /nfs/dbraw/zinc/35/61/52/578356152.db2.gz HUXRFBPJOPRERI-UHFFFAOYSA-N 1 3 328.526 0.734 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=S)NCCC[NH+](C)C ZINC000782406924 578725096 /nfs/dbraw/zinc/72/50/96/578725096.db2.gz SKZUZGCBONJMIK-AWEZNQCLSA-N 1 3 328.526 0.998 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000784424610 578751846 /nfs/dbraw/zinc/75/18/46/578751846.db2.gz OATJDMCBAMRBDF-UHFFFAOYSA-N 1 3 346.439 0.619 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793697545 578935492 /nfs/dbraw/zinc/93/54/92/578935492.db2.gz IFDQKXBLOFDPFN-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793697545 578935493 /nfs/dbraw/zinc/93/54/93/578935493.db2.gz IFDQKXBLOFDPFN-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000793705551 578936303 /nfs/dbraw/zinc/93/63/03/578936303.db2.gz FFXHLKOWADVLKV-FMKPAKJESA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793709234 578936497 /nfs/dbraw/zinc/93/64/97/578936497.db2.gz KOFQJSLQWXZBPA-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793709234 578936498 /nfs/dbraw/zinc/93/64/98/578936498.db2.gz KOFQJSLQWXZBPA-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841045718 588976732 /nfs/dbraw/zinc/97/67/32/588976732.db2.gz OUPFLXSCPHNLOG-OAHLLOKOSA-N 1 3 348.447 0.953 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])cc2)CC1 ZINC000841255575 588984741 /nfs/dbraw/zinc/98/47/41/588984741.db2.gz KTMCHSVRMXLVKU-UONOGXRCSA-N 1 3 347.463 0.619 20 0 ECADHO O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)[C@]1(F)CCNC1 ZINC000841854441 589002801 /nfs/dbraw/zinc/00/28/01/589002801.db2.gz CFNYKSPCMNWFNB-KRWDZBQOSA-N 1 3 336.411 0.611 20 0 ECADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842218103 589021559 /nfs/dbraw/zinc/02/15/59/589021559.db2.gz HZTCHVROZOFNSJ-RDTXWAMCSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000842223358 589021937 /nfs/dbraw/zinc/02/19/37/589021937.db2.gz HSZYMBIPMHTHRR-UHFFFAOYSA-N 1 3 346.475 0.488 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000842253476 589024895 /nfs/dbraw/zinc/02/48/95/589024895.db2.gz MIHNRWUFVCQJGG-HNNXBMFYSA-N 1 3 334.464 0.473 20 0 ECADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000842267806 589025606 /nfs/dbraw/zinc/02/56/06/589025606.db2.gz JHKBKBILXSAFIL-UHFFFAOYSA-N 1 3 346.475 0.617 20 0 ECADHO C[C@@H](CNC(=O)NC1(C[NH3+])CCCCC1)CN1CCN(C)CC1 ZINC000891600300 586180577 /nfs/dbraw/zinc/18/05/77/586180577.db2.gz AMLDLOILIDTBLN-HNNXBMFYSA-N 1 3 325.501 0.831 20 0 ECADHO CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000891753539 586194430 /nfs/dbraw/zinc/19/44/30/586194430.db2.gz ZASYILMADLIKBH-IAGOWNOFSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000891753539 586194432 /nfs/dbraw/zinc/19/44/32/586194432.db2.gz ZASYILMADLIKBH-IAGOWNOFSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)N1CCN(C)CC1 ZINC000891753540 586194822 /nfs/dbraw/zinc/19/48/22/586194822.db2.gz ZASYILMADLIKBH-IRXDYDNUSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000891753540 586194825 /nfs/dbraw/zinc/19/48/25/586194825.db2.gz ZASYILMADLIKBH-IRXDYDNUSA-N 1 3 339.528 0.994 20 0 ECADHO CO[C@@H]1CCOC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000895666571 586197041 /nfs/dbraw/zinc/19/70/41/586197041.db2.gz ODZDGLGNUHWJDV-RRFJBIMHSA-N 1 3 330.473 0.362 20 0 ECADHO CO[C@@H]1CCOC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000895666571 586197043 /nfs/dbraw/zinc/19/70/43/586197043.db2.gz ODZDGLGNUHWJDV-RRFJBIMHSA-N 1 3 330.473 0.362 20 0 ECADHO CN(C)CCOCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891841832 586200664 /nfs/dbraw/zinc/20/06/64/586200664.db2.gz MZNVWSSUALJRMV-AWEZNQCLSA-N 1 3 328.457 0.023 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000897518067 586337384 /nfs/dbraw/zinc/33/73/84/586337384.db2.gz CATZFYKQZJLXIJ-KGLIPLIRSA-N 1 3 325.457 0.232 20 0 ECADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000897518067 586337387 /nfs/dbraw/zinc/33/73/87/586337387.db2.gz CATZFYKQZJLXIJ-KGLIPLIRSA-N 1 3 325.457 0.232 20 0 ECADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000899811293 586507623 /nfs/dbraw/zinc/50/76/23/586507623.db2.gz UUSHQNDWWZMGJA-NVXWUHKLSA-N 1 3 329.448 0.509 20 0 ECADHO CN1CCC[C@@](O)(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000900023184 586519158 /nfs/dbraw/zinc/51/91/58/586519158.db2.gz IBTBYVVSENJAIN-GOSISDBHSA-N 1 3 338.496 0.073 20 0 ECADHO CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)NC(=O)CN(C)C1CCC1 ZINC000900574234 586642558 /nfs/dbraw/zinc/64/25/58/586642558.db2.gz QEELOWYOCUTJLT-CQSZACIVSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CN(C)C1CCC1 ZINC000900574234 586642559 /nfs/dbraw/zinc/64/25/59/586642559.db2.gz QEELOWYOCUTJLT-CQSZACIVSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC000900574234 586642561 /nfs/dbraw/zinc/64/25/61/586642561.db2.gz QEELOWYOCUTJLT-CQSZACIVSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000900574234 586642562 /nfs/dbraw/zinc/64/25/62/586642562.db2.gz QEELOWYOCUTJLT-CQSZACIVSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CCN(CCn2cccn2)CC1 ZINC000900642783 586647939 /nfs/dbraw/zinc/64/79/39/586647939.db2.gz HNDKYYFSSIAAQG-UHFFFAOYSA-N 1 3 331.464 0.902 20 0 ECADHO CN(C)CCN(Cc1ccccn1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900614066 586648259 /nfs/dbraw/zinc/64/82/59/586648259.db2.gz HTESNFAWRIRTDV-SFHVURJKSA-N 1 3 334.464 0.819 20 0 ECADHO CN(C)CCN(Cc1ccccn1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900614066 586648260 /nfs/dbraw/zinc/64/82/60/586648260.db2.gz HTESNFAWRIRTDV-SFHVURJKSA-N 1 3 334.464 0.819 20 0 ECADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000900685404 586656249 /nfs/dbraw/zinc/65/62/49/586656249.db2.gz RTCASNBRHUFECQ-AEFFLSMTSA-N 1 3 339.480 0.593 20 0 ECADHO C[N@H+]1CCC[C@](O)(CC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000900685404 586656250 /nfs/dbraw/zinc/65/62/50/586656250.db2.gz RTCASNBRHUFECQ-AEFFLSMTSA-N 1 3 339.480 0.593 20 0 ECADHO O=C(CCOC1CNC1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000843335599 589062264 /nfs/dbraw/zinc/06/22/64/589062264.db2.gz NRJASJMTBRDYRW-ZDUSSCGKSA-N 1 3 347.415 0.912 20 0 ECADHO Cc1cc([C@H](N)CC(=O)N(C)CCN2CC[NH2+]CC2)cc(Cl)n1 ZINC000843337801 589062540 /nfs/dbraw/zinc/06/25/40/589062540.db2.gz AOQOSEDMPAZCAB-CQSZACIVSA-N 1 3 339.871 0.797 20 0 ECADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)CC1 ZINC000903750796 586804542 /nfs/dbraw/zinc/80/45/42/586804542.db2.gz UBXABUFMXHVWOA-HNNXBMFYSA-N 1 3 338.496 0.763 20 0 ECADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](N)C1 ZINC000903754242 586811546 /nfs/dbraw/zinc/81/15/46/586811546.db2.gz CHJIHBXCRWVENV-GHMZBOCLSA-N 1 3 338.374 0.135 20 0 ECADHO CS(=O)(=O)NCC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903755561 586811623 /nfs/dbraw/zinc/81/16/23/586811623.db2.gz JKIFYMLYESJNJA-GJZGRUSLSA-N 1 3 331.482 0.016 20 0 ECADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000903783485 586815158 /nfs/dbraw/zinc/81/51/58/586815158.db2.gz UUEHTOUSLIDYNN-MAUKXSAKSA-N 1 3 336.480 0.531 20 0 ECADHO CC1(C)NC(=O)N(CCC[N@@H+]2CCNCCC23CCOCC3)C1=O ZINC000903813889 586817485 /nfs/dbraw/zinc/81/74/85/586817485.db2.gz BQPMEXYGQXVBOV-UHFFFAOYSA-N 1 3 338.452 0.551 20 0 ECADHO CC1(C)NC(=O)N(CCC[N@H+]2CCNCCC23CCOCC3)C1=O ZINC000903813889 586817487 /nfs/dbraw/zinc/81/74/87/586817487.db2.gz BQPMEXYGQXVBOV-UHFFFAOYSA-N 1 3 338.452 0.551 20 0 ECADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCN(CC2CCOCC2)CC1 ZINC000903893036 586823660 /nfs/dbraw/zinc/82/36/60/586823660.db2.gz OVSLVNMKAQHQAV-KRWDZBQOSA-N 1 3 348.495 0.747 20 0 ECADHO C[C@@H]1CN(C2CCOCC2)CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908954 586824995 /nfs/dbraw/zinc/82/49/95/586824995.db2.gz QFMPYUKMVNTYSV-NVXWUHKLSA-N 1 3 348.495 0.888 20 0 ECADHO c1cc(N2CCNCC2)oc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000904388988 586836584 /nfs/dbraw/zinc/83/65/84/586836584.db2.gz QXYVDBYSAZMQOF-HNNXBMFYSA-N 1 3 334.464 0.938 20 0 ECADHO CC(C)CNC(=O)C1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000904428420 586837251 /nfs/dbraw/zinc/83/72/51/586837251.db2.gz KEVWYRTVCYXASZ-OAHLLOKOSA-N 1 3 338.496 0.668 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)[C@H](CN)C1 ZINC000904959351 586854918 /nfs/dbraw/zinc/85/49/18/586854918.db2.gz DYKBYXNMXRFAFZ-KGLIPLIRSA-N 1 3 326.485 0.618 20 0 ECADHO C[C@H](Cn1ccnc1)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000905004652 586857941 /nfs/dbraw/zinc/85/79/41/586857941.db2.gz QFGYATIYWNFZPA-OIISXLGYSA-N 1 3 346.479 0.882 20 0 ECADHO C[C@H](Cn1ccnc1)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000905004652 586857944 /nfs/dbraw/zinc/85/79/44/586857944.db2.gz QFGYATIYWNFZPA-OIISXLGYSA-N 1 3 346.479 0.882 20 0 ECADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32CN)CC1 ZINC000905010272 586860828 /nfs/dbraw/zinc/86/08/28/586860828.db2.gz VLSRIAFSGLIJMG-HNAYVOBHSA-N 1 3 348.491 0.803 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@H](O)CC2(CO)CCCC2)C1 ZINC000905081012 586867125 /nfs/dbraw/zinc/86/71/25/586867125.db2.gz GEFRFPNGWREOLW-HZPDHXFCSA-N 1 3 341.496 0.467 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@H](O)CC2(CO)CCCC2)C1 ZINC000905081012 586867126 /nfs/dbraw/zinc/86/71/26/586867126.db2.gz GEFRFPNGWREOLW-HZPDHXFCSA-N 1 3 341.496 0.467 20 0 ECADHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@H](O)C2(O)CCCC2)c1 ZINC000905090723 586868083 /nfs/dbraw/zinc/86/80/83/586868083.db2.gz YTCRABVAAFWZIS-KRWDZBQOSA-N 1 3 349.475 0.734 20 0 ECADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)C[C@]1(O)CCOC1 ZINC000905077125 586869940 /nfs/dbraw/zinc/86/99/40/586869940.db2.gz VGXSICAJVPGUEP-FUHWJXTLSA-N 1 3 338.448 0.619 20 0 ECADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)C1(O)CCOCC1 ZINC000905173350 586876807 /nfs/dbraw/zinc/87/68/07/586876807.db2.gz GGAQMRSMLQTFFH-GVDBMIGSSA-N 1 3 342.480 0.246 20 0 ECADHO Cc1cccc(C)c1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000805679990 586932210 /nfs/dbraw/zinc/93/22/10/586932210.db2.gz SFFLHLYBJFYWBG-UHFFFAOYSA-N 1 3 348.491 0.871 20 0 ECADHO [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000906652146 586961596 /nfs/dbraw/zinc/96/15/96/586961596.db2.gz YDQQPPGOCIQUFU-UONOGXRCSA-N 1 3 332.404 0.063 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])CN1CCN(C)CC1 ZINC000906650199 586961828 /nfs/dbraw/zinc/96/18/28/586961828.db2.gz JWCOORSZXHVTTD-AWEZNQCLSA-N 1 3 347.463 0.084 20 0 ECADHO CC[NH+](CC)CCOc1cccc(NC(=O)C(=O)N[C@@H](C)CN)c1 ZINC000906685710 586967073 /nfs/dbraw/zinc/96/70/73/586967073.db2.gz STTMGILXUPAGRC-ZDUSSCGKSA-N 1 3 336.436 0.809 20 0 ECADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)C[C@]2(C)C1 ZINC000906705656 586968700 /nfs/dbraw/zinc/96/87/00/586968700.db2.gz IJCNYJSYVRKXNR-BEFAXECRSA-N 1 3 342.443 0.681 20 0 ECADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNCC4)C[C@]2(C)C1 ZINC000906705656 586968701 /nfs/dbraw/zinc/96/87/01/586968701.db2.gz IJCNYJSYVRKXNR-BEFAXECRSA-N 1 3 342.443 0.681 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000807777154 587136969 /nfs/dbraw/zinc/13/69/69/587136969.db2.gz LSJWGMNVXTTXHP-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000807777154 587136971 /nfs/dbraw/zinc/13/69/71/587136971.db2.gz LSJWGMNVXTTXHP-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818987390 587463651 /nfs/dbraw/zinc/46/36/51/587463651.db2.gz XAZXLYBFCPASGE-VBQJREDUSA-N 1 3 343.468 0.715 20 0 ECADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818987390 587463652 /nfs/dbraw/zinc/46/36/52/587463652.db2.gz XAZXLYBFCPASGE-VBQJREDUSA-N 1 3 343.468 0.715 20 0 ECADHO CN1CCC(CNC(=O)CC[NH2+]C(C)(C)C)(N2CCOCC2)CC1 ZINC000822610687 587668800 /nfs/dbraw/zinc/66/88/00/587668800.db2.gz SCQQHMSMIYRHLT-UHFFFAOYSA-N 1 3 340.512 0.677 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000825566987 587950115 /nfs/dbraw/zinc/95/01/15/587950115.db2.gz RUEVQFTUOJXTHJ-AWEZNQCLSA-N 1 3 339.484 0.621 20 0 ECADHO CN1CCN(c2ccnc(NC(=O)COC3CC[NH+](C)CC3)c2)CC1 ZINC000828141100 588160864 /nfs/dbraw/zinc/16/08/64/588160864.db2.gz KCXAUBOJJDAKRF-UHFFFAOYSA-N 1 3 347.463 0.883 20 0 ECADHO CN(C)CCN1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000845023753 589128623 /nfs/dbraw/zinc/12/86/23/589128623.db2.gz VRXXLMZDYANFDP-LSDHHAIUSA-N 1 3 339.484 0.275 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC[C@H]21 ZINC000867428402 589210410 /nfs/dbraw/zinc/21/04/10/589210410.db2.gz JXWVYVNHXLZWBR-OWCLPIDISA-N 1 3 334.464 0.236 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC[C@H]21 ZINC000867428402 589210411 /nfs/dbraw/zinc/21/04/11/589210411.db2.gz JXWVYVNHXLZWBR-OWCLPIDISA-N 1 3 334.464 0.236 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000846729318 589221183 /nfs/dbraw/zinc/22/11/83/589221183.db2.gz FHGDXZIZFKPPBB-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000846729317 589221251 /nfs/dbraw/zinc/22/12/51/589221251.db2.gz FHGDXZIZFKPPBB-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000850867919 589388692 /nfs/dbraw/zinc/38/86/92/589388692.db2.gz SEVMYRDMQMCMQV-AWEZNQCLSA-N 1 3 347.463 0.491 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000851686095 589413920 /nfs/dbraw/zinc/41/39/20/589413920.db2.gz JCVJCQVVXGPRSP-DNVCBOLYSA-N 1 3 346.475 0.739 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC(C[NH3+])CC2)CC1 ZINC000852743858 589509541 /nfs/dbraw/zinc/50/95/41/589509541.db2.gz MIADSLASJNCNCM-ZDUSSCGKSA-N 1 3 326.441 0.346 20 0 ECADHO NC[C@H]1CC(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)=NO1 ZINC000852793702 589512348 /nfs/dbraw/zinc/51/23/48/589512348.db2.gz DFPKAMIKXSYSGL-CQSZACIVSA-N 1 3 346.387 0.638 20 0 ECADHO NC[C@@H]1CC(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)=NO1 ZINC000852858347 589518616 /nfs/dbraw/zinc/51/86/16/589518616.db2.gz ZOFZVKKXZDPTGM-INIZCTEOSA-N 1 3 330.432 0.913 20 0 ECADHO [NH3+]C[C@H]1CC(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)=NO1 ZINC000852863933 589519616 /nfs/dbraw/zinc/51/96/16/589519616.db2.gz LOCQAWOMDDBNFK-MRXNPFEDSA-N 1 3 346.431 0.933 20 0 ECADHO CN1CCC(C[NH2+]C[C@@H](O)c2ccccn2)(N2CCOCC2)CC1 ZINC000853107838 589532283 /nfs/dbraw/zinc/53/22/83/589532283.db2.gz YPOAVZZTQMJJST-QGZVFWFLSA-N 1 3 334.464 0.501 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867515354 589797670 /nfs/dbraw/zinc/79/76/70/589797670.db2.gz KDEUDBHFMONRJQ-FXUDXRNXSA-N 1 3 336.480 0.338 20 0 ECADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867515354 589797673 /nfs/dbraw/zinc/79/76/73/589797673.db2.gz KDEUDBHFMONRJQ-FXUDXRNXSA-N 1 3 336.480 0.338 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCC1 ZINC000867592004 589811088 /nfs/dbraw/zinc/81/10/88/589811088.db2.gz MNBIYNGNYDAACD-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCC1 ZINC000867592004 589811089 /nfs/dbraw/zinc/81/10/89/589811089.db2.gz MNBIYNGNYDAACD-LSDHHAIUSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000861543341 589862622 /nfs/dbraw/zinc/86/26/22/589862622.db2.gz AQLLXXWRFBTGJJ-NSHDSACASA-N 1 3 340.399 0.510 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000861751376 589886933 /nfs/dbraw/zinc/88/69/33/589886933.db2.gz RRRXTXMKASPEEB-HLLBOEOZSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000861751377 589886949 /nfs/dbraw/zinc/88/69/49/589886949.db2.gz RRRXTXMKASPEEB-VYDXJSESSA-N 1 3 346.475 0.819 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868380421 589898930 /nfs/dbraw/zinc/89/89/30/589898930.db2.gz CEAAKYRXXJGGIY-SFHVURJKSA-N 1 3 338.496 0.763 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000868401011 589901823 /nfs/dbraw/zinc/90/18/23/589901823.db2.gz PCZREBNROUDXCQ-CJNGLKHVSA-N 1 3 332.448 0.655 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH+](C)C)CC1 ZINC000868896973 589934254 /nfs/dbraw/zinc/93/42/54/589934254.db2.gz LZFLABGQVKIFPZ-LBPRGKRZSA-N 1 3 328.457 0.652 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000863752693 590033995 /nfs/dbraw/zinc/03/39/95/590033995.db2.gz WUHHVKHGODDLOR-OAHLLOKOSA-N 1 3 334.464 0.425 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC000871461191 590071654 /nfs/dbraw/zinc/07/16/54/590071654.db2.gz GZZWDKXJLPGAJZ-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC000871461191 590071657 /nfs/dbraw/zinc/07/16/57/590071657.db2.gz GZZWDKXJLPGAJZ-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO CCCN(C)CC(=O)N1CCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC000871461191 590071660 /nfs/dbraw/zinc/07/16/60/590071660.db2.gz GZZWDKXJLPGAJZ-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO CCCN(C)CC(=O)N1CCO[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC000871461191 590071662 /nfs/dbraw/zinc/07/16/62/590071662.db2.gz GZZWDKXJLPGAJZ-HNNXBMFYSA-N 1 3 342.484 0.014 20 0 ECADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000876743305 590407184 /nfs/dbraw/zinc/40/71/84/590407184.db2.gz BLVWCHUYHYSZJL-DLBZAZTESA-N 1 3 329.444 0.854 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000876740400 590407400 /nfs/dbraw/zinc/40/74/00/590407400.db2.gz MHSIRCYEVFTBBL-CVEARBPZSA-N 1 3 346.475 0.968 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cn1 ZINC000876770534 590412720 /nfs/dbraw/zinc/41/27/20/590412720.db2.gz GSBJMWDVSLMPBP-PBHICJAKSA-N 1 3 348.451 0.032 20 0 ECADHO CCC1(N2CCOCC2)CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000877081561 590437263 /nfs/dbraw/zinc/43/72/63/590437263.db2.gz PPZSAUIAWYGLSP-MRXNPFEDSA-N 1 3 339.480 0.858 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@H](F)[C@@H]3CC[NH2+]C3)c2)nn1 ZINC000877206726 590444990 /nfs/dbraw/zinc/44/49/90/590444990.db2.gz NXZRMYWRTBVOGG-IUODEOHRSA-N 1 3 332.383 0.290 20 0 ECADHO C[C@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCN1c1cc[nH+]cc1 ZINC000881632938 590462166 /nfs/dbraw/zinc/46/21/66/590462166.db2.gz RCLSBGOZBZOLBT-RDJZCZTQSA-N 1 3 329.448 0.509 20 0 ECADHO CN1CCC(NC(=O)CN2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000879001333 590557336 /nfs/dbraw/zinc/55/73/36/590557336.db2.gz UTOKTWPUUNSZBN-MRXNPFEDSA-N 1 3 326.485 0.239 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)nc1 ZINC000130615236 590600114 /nfs/dbraw/zinc/60/01/14/590600114.db2.gz DZWZDEXBYSJFSA-UHFFFAOYSA-N 1 3 325.388 0.111 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000883639852 590637763 /nfs/dbraw/zinc/63/77/63/590637763.db2.gz ACUZWWGFLPZPHR-IJEWVQPXSA-N 1 3 345.447 0.314 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)[NH2+]C1 ZINC000884882439 590640875 /nfs/dbraw/zinc/64/08/75/590640875.db2.gz CKGAEIDNPAGJQB-LSDHHAIUSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884888484 590643743 /nfs/dbraw/zinc/64/37/43/590643743.db2.gz ZKFUOUVUAUJURL-QGZVFWFLSA-N 1 3 348.491 0.861 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000884911292 590647693 /nfs/dbraw/zinc/64/76/93/590647693.db2.gz LYOZLDAPXGIPSZ-JYJNAYRXSA-N 1 3 336.480 0.707 20 0 ECADHO CN(CC1CCN(C)CC1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885010001 590668476 /nfs/dbraw/zinc/66/84/76/590668476.db2.gz HOLGFJQPTPWIJG-MUJYYYPQSA-N 1 3 336.480 0.433 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885156285 590689723 /nfs/dbraw/zinc/68/97/23/590689723.db2.gz QCKYQTBFLYIVDU-IRXDYDNUSA-N 1 3 344.459 0.418 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885156285 590689726 /nfs/dbraw/zinc/68/97/26/590689726.db2.gz QCKYQTBFLYIVDU-IRXDYDNUSA-N 1 3 344.459 0.418 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885285770 590704431 /nfs/dbraw/zinc/70/44/31/590704431.db2.gz SWHTUMPOMGNFEK-LBPRGKRZSA-N 1 3 334.411 0.146 20 0 ECADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccnc(N2CCNCC2)c1 ZINC000884193017 590769558 /nfs/dbraw/zinc/76/95/58/590769558.db2.gz UJURNALQEPCXOT-HZPDHXFCSA-N 1 3 329.448 0.848 20 0 ECADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnc(N2CCNCC2)c1 ZINC000884193017 590769559 /nfs/dbraw/zinc/76/95/59/590769559.db2.gz UJURNALQEPCXOT-HZPDHXFCSA-N 1 3 329.448 0.848 20 0 ECADHO COCC[C@H](N)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000884206596 590774736 /nfs/dbraw/zinc/77/47/36/590774736.db2.gz ZEXFGKDDNJUXRN-OAGGEKHMSA-N 1 3 326.485 0.367 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884230138 590783791 /nfs/dbraw/zinc/78/37/91/590783791.db2.gz JYGORTFBROXCAC-OAHLLOKOSA-N 1 3 331.464 0.905 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccnc(N3CCNCC3)c2)C1 ZINC000884230138 590783798 /nfs/dbraw/zinc/78/37/98/590783798.db2.gz JYGORTFBROXCAC-OAHLLOKOSA-N 1 3 331.464 0.905 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)N1CCC(C)CC1 ZINC000884502547 590845405 /nfs/dbraw/zinc/84/54/05/590845405.db2.gz MKQLPQZTCKHOJE-RVKKMQEKSA-N 1 3 336.480 0.291 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884576103 590861834 /nfs/dbraw/zinc/86/18/34/590861834.db2.gz AAOKBTZJTALDHG-HUUCEWRRSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884577278 590862439 /nfs/dbraw/zinc/86/24/39/590862439.db2.gz AYHKQJCVEOIIRX-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884650603 590883326 /nfs/dbraw/zinc/88/33/26/590883326.db2.gz PPFKXDFNSJHQDU-QWRGUYRKSA-N 1 3 338.374 0.040 20 0 ECADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884729766 590913009 /nfs/dbraw/zinc/91/30/09/590913009.db2.gz VIWMLYMIWPATBI-MJBXVCDLSA-N 1 3 333.436 0.361 20 0 ECADHO CCN(C(=O)C(=O)Nc1cccc(OCCN(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000886990683 590913696 /nfs/dbraw/zinc/91/36/96/590913696.db2.gz RZARNQBREOCCGH-HNNXBMFYSA-N 1 3 348.447 0.776 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884787547 590923646 /nfs/dbraw/zinc/92/36/46/590923646.db2.gz VLUVLOCUTKKSFM-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884787623 590923662 /nfs/dbraw/zinc/92/36/62/590923662.db2.gz XMSAWESPXOAYKW-INIZCTEOSA-N 1 3 344.459 0.549 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884787256 590923730 /nfs/dbraw/zinc/92/37/30/590923730.db2.gz LYDNTRKLGBPXFR-DLBZAZTESA-N 1 3 346.475 0.663 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]3CC2)CCC1 ZINC000946621067 611369893 /nfs/dbraw/zinc/36/98/93/611369893.db2.gz IOXWKYQGKQWTCT-XHSDSOJGSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]3CC2)CCC1 ZINC000946621067 611369898 /nfs/dbraw/zinc/36/98/98/611369898.db2.gz IOXWKYQGKQWTCT-XHSDSOJGSA-N 1 3 348.491 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2CC1)C1CCC1 ZINC000946623516 611370635 /nfs/dbraw/zinc/37/06/35/611370635.db2.gz KWMPEFAYKJMQKF-UXLLHSPISA-N 1 3 348.491 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1)C1CCC1 ZINC000946623516 611370636 /nfs/dbraw/zinc/37/06/36/611370636.db2.gz KWMPEFAYKJMQKF-UXLLHSPISA-N 1 3 348.491 0.530 20 0 ECADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946631595 611376623 /nfs/dbraw/zinc/37/66/23/611376623.db2.gz PJXMFLHHUVTDRL-XHSDSOJGSA-N 1 3 336.480 0.517 20 0 ECADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946631595 611376627 /nfs/dbraw/zinc/37/66/27/611376627.db2.gz PJXMFLHHUVTDRL-XHSDSOJGSA-N 1 3 336.480 0.517 20 0 ECADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000929990685 611376803 /nfs/dbraw/zinc/37/68/03/611376803.db2.gz BLNGYHZXFWCVNK-HNNXBMFYSA-N 1 3 338.496 0.633 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](CN(C)C)C2=O)[C@H](C)C1 ZINC000924631622 611419569 /nfs/dbraw/zinc/41/95/69/611419569.db2.gz ISEJYAXTLYIDHS-ILXRZTDVSA-N 1 3 340.468 0.605 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](N2C(=O)N[C@@H](CN(C)C)C2=O)[C@H](C)C1 ZINC000924631622 611419571 /nfs/dbraw/zinc/41/95/71/611419571.db2.gz ISEJYAXTLYIDHS-ILXRZTDVSA-N 1 3 340.468 0.605 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946776328 611470091 /nfs/dbraw/zinc/47/00/91/611470091.db2.gz LRZMUMKVIDDECU-GASCZTMLSA-N 1 3 336.480 0.374 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946776328 611470093 /nfs/dbraw/zinc/47/00/93/611470093.db2.gz LRZMUMKVIDDECU-GASCZTMLSA-N 1 3 336.480 0.374 20 0 ECADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000930826675 611469317 /nfs/dbraw/zinc/46/93/17/611469317.db2.gz GDUFIDGNWNZBNE-OAHLLOKOSA-N 1 3 338.496 0.683 20 0 ECADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000930826675 611469318 /nfs/dbraw/zinc/46/93/18/611469318.db2.gz GDUFIDGNWNZBNE-OAHLLOKOSA-N 1 3 338.496 0.683 20 0 ECADHO 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20 0 ECADHO C[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)N1CCCCCC1 ZINC000909323619 609083688 /nfs/dbraw/zinc/08/36/88/609083688.db2.gz SAPFLXSXZKMDLP-MRXNPFEDSA-N 1 3 338.496 0.969 20 0 ECADHO CN(CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CCC1 ZINC000938008222 609456702 /nfs/dbraw/zinc/45/67/02/609456702.db2.gz OAZAKKWEUTWNJG-DOTOQJQBSA-N 1 3 348.491 0.530 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CCC1 ZINC000938194563 609516354 /nfs/dbraw/zinc/51/63/54/609516354.db2.gz XNOWULRFTCZMMR-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO CN1CC[C@@H]1CNC(=O)c1ccccc1CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928561046 611700784 /nfs/dbraw/zinc/70/07/84/611700784.db2.gz XXEHIMKBWKWTHW-JKSUJKDBSA-N 1 3 344.459 0.483 20 0 ECADHO CN1CC[C@@H]1CNC(=O)c1ccccc1CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928561046 611700786 /nfs/dbraw/zinc/70/07/86/611700786.db2.gz XXEHIMKBWKWTHW-JKSUJKDBSA-N 1 3 344.459 0.483 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910698890 609751586 /nfs/dbraw/zinc/75/15/86/609751586.db2.gz FVHWDUNLDJALCM-CYJAXWMASA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910698890 609751587 /nfs/dbraw/zinc/75/15/87/609751587.db2.gz FVHWDUNLDJALCM-CYJAXWMASA-N 1 3 348.491 0.482 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+])N1CCCCC1 ZINC000910954503 609782507 /nfs/dbraw/zinc/78/25/07/609782507.db2.gz AHLXWOIHIGZPDH-KDOFPFPSSA-N 1 3 336.480 0.707 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)Cc1ccccc1 ZINC000910963690 609783818 /nfs/dbraw/zinc/78/38/18/609783818.db2.gz UAEJURPNXHYZKY-SJORKVTESA-N 1 3 346.475 0.473 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N(C)Cc1ccccc1 ZINC000911011008 609793743 /nfs/dbraw/zinc/79/37/43/609793743.db2.gz ZZQZLUAUPBPFCA-HOCLYGCPSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)N1CCC(C)CC1 ZINC000911093791 609803183 /nfs/dbraw/zinc/80/31/83/609803183.db2.gz 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349.479 0.527 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]32)CCC1 ZINC000972639238 737202372 /nfs/dbraw/zinc/20/23/72/737202372.db2.gz XGHOVNPBJFUAPC-OWCLPIDISA-N 1 3 348.491 0.482 20 0 ECADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)CCC1 ZINC000972639238 737202378 /nfs/dbraw/zinc/20/23/78/737202378.db2.gz XGHOVNPBJFUAPC-OWCLPIDISA-N 1 3 348.491 0.482 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001023762119 737326269 /nfs/dbraw/zinc/32/62/69/737326269.db2.gz ROIRGFQVAZYCRW-DLBZAZTESA-N 1 3 348.495 0.981 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001023762119 737326275 /nfs/dbraw/zinc/32/62/75/737326275.db2.gz ROIRGFQVAZYCRW-DLBZAZTESA-N 1 3 348.495 0.981 20 0 ECADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001087256821 737409742 /nfs/dbraw/zinc/40/97/42/737409742.db2.gz MQUNDLHRRANESA-UONOGXRCSA-N 1 3 349.435 0.160 20 0 ECADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001087256821 737409745 /nfs/dbraw/zinc/40/97/45/737409745.db2.gz MQUNDLHRRANESA-UONOGXRCSA-N 1 3 349.435 0.160 20 0 ECADHO CCn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001023890368 737464984 /nfs/dbraw/zinc/46/49/84/737464984.db2.gz YGTBZXFSMSRDLF-GOEBONIOSA-N 1 3 334.468 0.720 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001024018343 737623790 /nfs/dbraw/zinc/62/37/90/737623790.db2.gz MVBJPDOTOMRYKC-XJKSGUPXSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001067467198 737771182 /nfs/dbraw/zinc/77/11/82/737771182.db2.gz SJFMLFYVVFVEFP-INIZCTEOSA-N 1 3 338.496 0.731 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001067467198 737771187 /nfs/dbraw/zinc/77/11/87/737771187.db2.gz SJFMLFYVVFVEFP-INIZCTEOSA-N 1 3 338.496 0.731 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](CNCc2cn(C)nn2)C1 ZINC001024156293 737783275 /nfs/dbraw/zinc/78/32/75/737783275.db2.gz KWZGUXLLPBXMJM-HUUCEWRRSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](CNCc2cn(C)nn2)C1 ZINC001024156293 737783280 /nfs/dbraw/zinc/78/32/80/737783280.db2.gz KWZGUXLLPBXMJM-HUUCEWRRSA-N 1 3 334.468 0.628 20 0 ECADHO COCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561822 738107796 /nfs/dbraw/zinc/10/77/96/738107796.db2.gz ZBBOTXMUOVJUKF-NDUQDZPOSA-N 1 3 337.464 0.467 20 0 ECADHO COCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561822 738107798 /nfs/dbraw/zinc/10/77/98/738107798.db2.gz ZBBOTXMUOVJUKF-NDUQDZPOSA-N 1 3 337.464 0.467 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000973291989 739043876 /nfs/dbraw/zinc/04/38/76/739043876.db2.gz CPLPXQGSMKPUHJ-KKUMJFAQSA-N 1 3 336.480 0.433 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000973291989 739043879 /nfs/dbraw/zinc/04/38/79/739043879.db2.gz CPLPXQGSMKPUHJ-KKUMJFAQSA-N 1 3 336.480 0.433 20 0 ECADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104641602 739350746 /nfs/dbraw/zinc/35/07/46/739350746.db2.gz WFASGKVGNKHKSX-WCXIOVBPSA-N 1 3 343.512 0.654 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104676758 739458055 /nfs/dbraw/zinc/45/80/55/739458055.db2.gz WXRZDXXFUWOAPQ-BRWVUGGUSA-N 1 3 341.496 0.554 20 0 ECADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001104679557 739462284 /nfs/dbraw/zinc/46/22/84/739462284.db2.gz KNCYOJBAMPTGDH-ARFHVFGLSA-N 1 3 338.496 0.491 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCn1cccn1 ZINC001104729010 739555676 /nfs/dbraw/zinc/55/56/76/739555676.db2.gz MQILPWBVYBFUCD-HUUCEWRRSA-N 1 3 330.436 0.923 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CCCC2)C1 ZINC000973615093 739586504 /nfs/dbraw/zinc/58/65/04/739586504.db2.gz RLYKXQKPHKBQLG-XYTVBORESA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CCCC2)C1 ZINC000973615093 739586508 /nfs/dbraw/zinc/58/65/08/739586508.db2.gz RLYKXQKPHKBQLG-XYTVBORESA-N 1 3 348.491 0.672 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781839 739939934 /nfs/dbraw/zinc/93/99/34/739939934.db2.gz SRRRLGIFMNDYFC-DZVNLGKHSA-N 1 3 343.475 0.804 20 0 ECADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781839 739939940 /nfs/dbraw/zinc/93/99/40/739939940.db2.gz SRRRLGIFMNDYFC-DZVNLGKHSA-N 1 3 343.475 0.804 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001025813304 739985490 /nfs/dbraw/zinc/98/54/90/739985490.db2.gz AWHHKINEPGNCQU-KSXIZUIISA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001025813304 739985493 /nfs/dbraw/zinc/98/54/93/739985493.db2.gz AWHHKINEPGNCQU-KSXIZUIISA-N 1 3 334.464 0.184 20 0 ECADHO CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)OC ZINC001025908701 740216323 /nfs/dbraw/zinc/21/63/23/740216323.db2.gz VXYHIIFSOWGBKA-JTAXNNKKSA-N 1 3 349.475 0.321 20 0 ECADHO CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)OC ZINC001025908701 740216326 /nfs/dbraw/zinc/21/63/26/740216326.db2.gz VXYHIIFSOWGBKA-JTAXNNKKSA-N 1 3 349.475 0.321 20 0 ECADHO C[NH2+]CCNc1nccc(CN2CC[C@H](CO)C2)c1C(OC)OC ZINC001167723447 740340304 /nfs/dbraw/zinc/34/03/04/740340304.db2.gz VFIBRHOSRVUPRB-ZDUSSCGKSA-N 1 3 338.452 0.819 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001026148648 740423723 /nfs/dbraw/zinc/42/37/23/740423723.db2.gz WYNJLAOYTBQTPY-RFEVWBHWSA-N 1 3 345.491 0.882 20 0 ECADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001026148648 740423724 /nfs/dbraw/zinc/42/37/24/740423724.db2.gz WYNJLAOYTBQTPY-RFEVWBHWSA-N 1 3 345.491 0.882 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001026149215 740424399 /nfs/dbraw/zinc/42/43/99/740424399.db2.gz XLXVLLHMVQDWBG-JLOCXQCDSA-N 1 3 331.464 0.802 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001026149215 740424402 /nfs/dbraw/zinc/42/44/02/740424402.db2.gz XLXVLLHMVQDWBG-JLOCXQCDSA-N 1 3 331.464 0.802 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001104810032 740543813 /nfs/dbraw/zinc/54/38/13/740543813.db2.gz WZGKEJXGJGLRCJ-BZUAXINKSA-N 1 3 338.496 0.681 20 0 ECADHO CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C)C(N)=O ZINC001104812584 740556449 /nfs/dbraw/zinc/55/64/49/740556449.db2.gz SATCEJIYTWHQBP-RBSFLKMASA-N 1 3 326.485 0.666 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC001026598654 741596426 /nfs/dbraw/zinc/59/64/26/741596426.db2.gz RQXZNDJITXCGJD-UHFFFAOYSA-N 1 3 348.451 0.303 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N2CCCN(CCCF)CC2)cn1 ZINC000982166049 751670298 /nfs/dbraw/zinc/67/02/98/751670298.db2.gz XHPFSJJMBXKBLH-UHFFFAOYSA-N 1 3 325.432 0.952 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)on1 ZINC001026889086 742028546 /nfs/dbraw/zinc/02/85/46/742028546.db2.gz RXVBZCQFVNFVTC-LRDDRELGSA-N 1 3 336.436 0.962 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)nn1 ZINC001026887932 742044481 /nfs/dbraw/zinc/04/44/81/742044481.db2.gz YGUFNKGKNPLIRA-SUMWQHHRSA-N 1 3 347.463 0.764 20 0 ECADHO CN(CC(=O)N1CC[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1)C1CCC1 ZINC001026888225 742045812 /nfs/dbraw/zinc/04/58/12/742045812.db2.gz AYAXFQJXMHSPQO-ZBFHGGJFSA-N 1 3 346.479 0.688 20 0 ECADHO COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)n1 ZINC001026922814 742109397 /nfs/dbraw/zinc/10/93/97/742109397.db2.gz SBHPKYOLJFQDGL-GDBMZVCRSA-N 1 3 347.463 0.908 20 0 ECADHO CC1(C)C[N@H+](CCCO)C[C@@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000974828149 742228889 /nfs/dbraw/zinc/22/88/89/742228889.db2.gz SVQFBOIMGJNGGR-DIODGJHASA-N 1 3 337.464 0.059 20 0 ECADHO CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000974828149 742228891 /nfs/dbraw/zinc/22/88/91/742228891.db2.gz SVQFBOIMGJNGGR-DIODGJHASA-N 1 3 337.464 0.059 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001027069454 742426904 /nfs/dbraw/zinc/42/69/04/742426904.db2.gz UGNSQGAPBKQLER-CVEARBPZSA-N 1 3 334.464 0.664 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001027063420 742431539 /nfs/dbraw/zinc/43/15/39/742431539.db2.gz LAORZAXTSJEXBB-GJZGRUSLSA-N 1 3 334.468 0.720 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001027063420 742431541 /nfs/dbraw/zinc/43/15/41/742431541.db2.gz LAORZAXTSJEXBB-GJZGRUSLSA-N 1 3 334.468 0.720 20 0 ECADHO O=C(Cc1c[nH]cn1)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000975420029 742829329 /nfs/dbraw/zinc/82/93/29/742829329.db2.gz VCTHWSUXIGHCSA-UKRRQHHQSA-N 1 3 343.431 0.107 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@@H+]1C ZINC000975424953 742854090 /nfs/dbraw/zinc/85/40/90/742854090.db2.gz UMRWUBJSXRMIIZ-RRCSTGOVSA-N 1 3 345.447 0.352 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@H+]1C ZINC000975424953 742854097 /nfs/dbraw/zinc/85/40/97/742854097.db2.gz UMRWUBJSXRMIIZ-RRCSTGOVSA-N 1 3 345.447 0.352 20 0 ECADHO CCN1CC[C@H](N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028931358 742891337 /nfs/dbraw/zinc/89/13/37/742891337.db2.gz PAQQKQMCYIOPTH-CABCVRRESA-N 1 3 334.464 0.141 20 0 ECADHO CN1CCC[C@H](N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028933864 742905830 /nfs/dbraw/zinc/90/58/30/742905830.db2.gz UOJLPLKIBJCCDO-GJZGRUSLSA-N 1 3 334.464 0.141 20 0 ECADHO COc1cc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)on1 ZINC000997007140 743120669 /nfs/dbraw/zinc/12/06/69/743120669.db2.gz ITJWGVJCRQAVCB-DOMZBBRYSA-N 1 3 336.436 0.962 20 0 ECADHO COc1cc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)on1 ZINC000997007140 743120672 /nfs/dbraw/zinc/12/06/72/743120672.db2.gz ITJWGVJCRQAVCB-DOMZBBRYSA-N 1 3 336.436 0.962 20 0 ECADHO CC1CCN(C(=O)C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000997051242 743171849 /nfs/dbraw/zinc/17/18/49/743171849.db2.gz AXKGLQRPCGDZBT-UHFFFAOYSA-N 1 3 347.463 0.791 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027215937 743188853 /nfs/dbraw/zinc/18/88/53/743188853.db2.gz OYIKZWHVHTUNMV-UONOGXRCSA-N 1 3 333.436 0.375 20 0 ECADHO COc1nccc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027215937 743188857 /nfs/dbraw/zinc/18/88/57/743188857.db2.gz OYIKZWHVHTUNMV-UONOGXRCSA-N 1 3 333.436 0.375 20 0 ECADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)nn1 ZINC001027217290 743193767 /nfs/dbraw/zinc/19/37/67/743193767.db2.gz HPVHAEATRKLHQX-AWEZNQCLSA-N 1 3 333.436 0.519 20 0 ECADHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)nn1 ZINC001027217291 743193798 /nfs/dbraw/zinc/19/37/98/743193798.db2.gz HPVHAEATRKLHQX-CQSZACIVSA-N 1 3 333.436 0.519 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997187981 743330083 /nfs/dbraw/zinc/33/00/83/743330083.db2.gz YGOWYWNRMHKZRG-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO COc1nccc(CNC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997187981 743330092 /nfs/dbraw/zinc/33/00/92/743330092.db2.gz YGOWYWNRMHKZRG-AWEZNQCLSA-N 1 3 347.463 0.908 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000997386816 743560753 /nfs/dbraw/zinc/56/07/53/743560753.db2.gz KIZWWRMJNGMIHL-AWEZNQCLSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC000997842351 743848128 /nfs/dbraw/zinc/84/81/28/743848128.db2.gz BLEUOPIOAPFSFZ-INIZCTEOSA-N 1 3 336.484 0.730 20 0 ECADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000997854442 743852772 /nfs/dbraw/zinc/85/27/72/743852772.db2.gz DNKSGRFVODGQEF-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001020593109 751866663 /nfs/dbraw/zinc/86/66/63/751866663.db2.gz XFCIXDHGRHLOTQ-NGFQHRJXSA-N 1 3 333.436 0.420 20 0 ECADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001020593109 751866672 /nfs/dbraw/zinc/86/66/72/751866672.db2.gz XFCIXDHGRHLOTQ-NGFQHRJXSA-N 1 3 333.436 0.420 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000998171068 744026814 /nfs/dbraw/zinc/02/68/14/744026814.db2.gz ZPXGFEOTQKLZCP-DZKIICNBSA-N 1 3 338.496 0.630 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000998171068 744026819 /nfs/dbraw/zinc/02/68/19/744026819.db2.gz ZPXGFEOTQKLZCP-DZKIICNBSA-N 1 3 338.496 0.630 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976546744 744070298 /nfs/dbraw/zinc/07/02/98/744070298.db2.gz OIMVLCNWEWDOHG-NRKLIOEPSA-N 1 3 348.491 0.386 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000976546744 744070300 /nfs/dbraw/zinc/07/03/00/744070300.db2.gz OIMVLCNWEWDOHG-NRKLIOEPSA-N 1 3 348.491 0.386 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]21 ZINC000976656261 744170535 /nfs/dbraw/zinc/17/05/35/744170535.db2.gz IOCOYOMRDFWSHG-BQJWPVKWSA-N 1 3 348.491 0.528 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]21 ZINC000976656261 744170536 /nfs/dbraw/zinc/17/05/36/744170536.db2.gz IOCOYOMRDFWSHG-BQJWPVKWSA-N 1 3 348.491 0.528 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1)C1CC1 ZINC000982295786 751897675 /nfs/dbraw/zinc/89/76/75/751897675.db2.gz FEZSLWRTMUMLLC-RGCFKVTRSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1)C1CC1 ZINC000982295786 751897686 /nfs/dbraw/zinc/89/76/86/751897686.db2.gz FEZSLWRTMUMLLC-RGCFKVTRSA-N 1 3 348.491 0.386 20 0 ECADHO COc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)c(C)n1 ZINC000998724479 744298997 /nfs/dbraw/zinc/29/89/97/744298997.db2.gz UEIWGNQTRPWPHC-HZPDHXFCSA-N 1 3 347.463 0.968 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000976867733 744423385 /nfs/dbraw/zinc/42/33/85/744423385.db2.gz MACNKEZJHRHMDB-CNGORYIKSA-N 1 3 348.491 0.241 20 0 ECADHO CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000976867733 744423387 /nfs/dbraw/zinc/42/33/87/744423387.db2.gz MACNKEZJHRHMDB-CNGORYIKSA-N 1 3 348.491 0.241 20 0 ECADHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC000998992996 744455191 /nfs/dbraw/zinc/45/51/91/744455191.db2.gz DIYREYYKGNXKFZ-UYSNPLJNSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CCC1 ZINC000999349725 744643390 /nfs/dbraw/zinc/64/33/90/744643390.db2.gz UIPRINJDSWTJDR-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC000999350692 744644733 /nfs/dbraw/zinc/64/47/33/744644733.db2.gz AHWAQOLWZWIHAR-HUUCEWRRSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC000999381300 744668017 /nfs/dbraw/zinc/66/80/17/744668017.db2.gz YUWFCDMMJDSKLL-ZBFHGGJFSA-N 1 3 336.480 0.672 20 0 ECADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999437542 744696942 /nfs/dbraw/zinc/69/69/42/744696942.db2.gz XGRUJJLYFKLTRL-ZBFHGGJFSA-N 1 3 336.484 0.965 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999849244 744942275 /nfs/dbraw/zinc/94/22/75/744942275.db2.gz RFSOHTURSMVXOD-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999849244 744942278 /nfs/dbraw/zinc/94/22/78/744942278.db2.gz RFSOHTURSMVXOD-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999850139 744943278 /nfs/dbraw/zinc/94/32/78/744943278.db2.gz WICYAZOMNVCNDT-KBXCAEBGSA-N 1 3 348.491 0.672 20 0 ECADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999879547 744990169 /nfs/dbraw/zinc/99/01/69/744990169.db2.gz WVPKTRKYZNHTJL-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999879547 744990172 /nfs/dbraw/zinc/99/01/72/744990172.db2.gz WVPKTRKYZNHTJL-HOCLYGCPSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001000189950 745326111 /nfs/dbraw/zinc/32/61/11/745326111.db2.gz FJFNHTZFDNDBKU-GJZGRUSLSA-N 1 3 337.468 0.077 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1CN(CCn2cncn2)CC1(C)C ZINC000977649287 745336455 /nfs/dbraw/zinc/33/64/55/745336455.db2.gz BPRPIVHVZKTUHO-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCn2cncn2)CC1(C)C ZINC000977649287 745336461 /nfs/dbraw/zinc/33/64/61/745336461.db2.gz BPRPIVHVZKTUHO-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CCn2cncn2)CC1(C)C ZINC000977649287 745336469 /nfs/dbraw/zinc/33/64/69/745336469.db2.gz BPRPIVHVZKTUHO-CVEARBPZSA-N 1 3 348.495 0.979 20 0 ECADHO O=C(NC1(C2CC[NH+](CCO)CC2)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001000217238 745354303 /nfs/dbraw/zinc/35/43/03/745354303.db2.gz YDYSKEAKXPSVRM-HQVVEAJESA-N 1 3 349.475 0.203 20 0 ECADHO C[N@@H+]1C[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001000262324 745393388 /nfs/dbraw/zinc/39/33/88/745393388.db2.gz UQGIMTPEVTUHEC-ZACQAIPSSA-N 1 3 344.459 0.398 20 0 ECADHO C[N@H+]1C[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001000262324 745393393 /nfs/dbraw/zinc/39/33/93/745393393.db2.gz UQGIMTPEVTUHEC-ZACQAIPSSA-N 1 3 344.459 0.398 20 0 ECADHO CN(C[C@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000977762474 745488055 /nfs/dbraw/zinc/48/80/55/745488055.db2.gz VMUABMDWIXJYIH-SJORKVTESA-N 1 3 348.491 0.483 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCN2CCCC2=O)C1)N(C)C ZINC001027579041 745778594 /nfs/dbraw/zinc/77/85/94/745778594.db2.gz APSANMHHUXSEQB-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCN2CCCC2=O)C1)N(C)C ZINC001027579041 745778598 /nfs/dbraw/zinc/77/85/98/745778598.db2.gz APSANMHHUXSEQB-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC000978069709 745875509 /nfs/dbraw/zinc/87/55/09/745875509.db2.gz PBZYWWMDRCQRFJ-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001001007452 745972515 /nfs/dbraw/zinc/97/25/15/745972515.db2.gz KPJVFJSPWHSDPQ-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000984215768 746059686 /nfs/dbraw/zinc/05/96/86/746059686.db2.gz RUHSVJNCHWZKNW-UKRRQHHQSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000984215768 746059693 /nfs/dbraw/zinc/05/96/93/746059693.db2.gz RUHSVJNCHWZKNW-UKRRQHHQSA-N 1 3 333.436 0.353 20 0 ECADHO O=C(N1CC(n2cc(CNCCC3CC3)nn2)C1)C12CC[NH+](CC1)C2 ZINC001105361058 752068706 /nfs/dbraw/zinc/06/87/06/752068706.db2.gz PAYVGFWBOBTSEC-UHFFFAOYSA-N 1 3 344.463 0.647 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001059352407 746189489 /nfs/dbraw/zinc/18/94/89/746189489.db2.gz VMZOCLXPKKSCME-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO Cc1nn(C)cc1CN1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978673761 746570011 /nfs/dbraw/zinc/57/00/11/746570011.db2.gz FHXIEEMNNCKYCP-NNZMDNLPSA-N 1 3 345.491 0.864 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978840358 746766738 /nfs/dbraw/zinc/76/67/38/746766738.db2.gz NCKMQSJZVZMIMZ-YHUYYLMFSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000978840358 746766741 /nfs/dbraw/zinc/76/67/41/746766741.db2.gz NCKMQSJZVZMIMZ-YHUYYLMFSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H](C(=O)N(C)C)N1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002051801 746929018 /nfs/dbraw/zinc/92/90/18/746929018.db2.gz DLZGSSMPQSMKSV-CQSZACIVSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC000984804225 746960446 /nfs/dbraw/zinc/96/04/46/746960446.db2.gz NJSRYRFFVVXAEG-VGWMRTNUSA-N 1 3 336.480 0.576 20 0 ECADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000984807105 746962917 /nfs/dbraw/zinc/96/29/17/746962917.db2.gz CYWOLSCHLCFLBT-MIGQKNRLSA-N 1 3 331.464 0.967 20 0 ECADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000984807105 746962922 /nfs/dbraw/zinc/96/29/22/746962922.db2.gz CYWOLSCHLCFLBT-MIGQKNRLSA-N 1 3 331.464 0.967 20 0 ECADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000984886375 747046571 /nfs/dbraw/zinc/04/65/71/747046571.db2.gz ZHXLQTVJLFRZGJ-YHUYYLMFSA-N 1 3 336.480 0.622 20 0 ECADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090789 747351938 /nfs/dbraw/zinc/35/19/38/747351938.db2.gz GNHAHJSGDPLUSO-PMPSAXMXSA-N 1 3 336.480 0.372 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001002460019 747378973 /nfs/dbraw/zinc/37/89/73/747378973.db2.gz AXMHCNOSIWTQSJ-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001002460019 747378980 /nfs/dbraw/zinc/37/89/80/747378980.db2.gz AXMHCNOSIWTQSJ-JKSUJKDBSA-N 1 3 336.480 0.387 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000985119722 747402838 /nfs/dbraw/zinc/40/28/38/747402838.db2.gz MTTJKVWAQNQZBT-YDHLFZDLSA-N 1 3 333.436 0.421 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000985119722 747402839 /nfs/dbraw/zinc/40/28/39/747402839.db2.gz MTTJKVWAQNQZBT-YDHLFZDLSA-N 1 3 333.436 0.421 20 0 ECADHO Cc1nccnc1CNCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168052353 747424460 /nfs/dbraw/zinc/42/44/60/747424460.db2.gz QFEBVHVTFYQRPJ-UHFFFAOYSA-N 1 3 345.451 0.453 20 0 ECADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000979316062 747627042 /nfs/dbraw/zinc/62/70/42/747627042.db2.gz MISZHMYUODFQON-GDBMZVCRSA-N 1 3 349.479 0.610 20 0 ECADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001161251794 752240829 /nfs/dbraw/zinc/24/08/29/752240829.db2.gz ZPQADCFXCWNTER-UHFFFAOYSA-N 1 3 342.484 0.108 20 0 ECADHO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001003059972 748128368 /nfs/dbraw/zinc/12/83/68/748128368.db2.gz BJVYBMPNESVJLU-ZFWWWQNUSA-N 1 3 333.436 0.353 20 0 ECADHO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001003059972 748128373 /nfs/dbraw/zinc/12/83/73/748128373.db2.gz BJVYBMPNESVJLU-ZFWWWQNUSA-N 1 3 333.436 0.353 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@H+](C)CCN2CCCC2=O)CC1)N(C)C ZINC000985494792 748298731 /nfs/dbraw/zinc/29/87/31/748298731.db2.gz GZTHQNCSKVEJDR-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CCN2CCCC2=O)CC1)N(C)C ZINC000985494792 748298737 /nfs/dbraw/zinc/29/87/37/748298737.db2.gz GZTHQNCSKVEJDR-MRXNPFEDSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CCNC1=O ZINC001029776554 748341969 /nfs/dbraw/zinc/34/19/69/748341969.db2.gz DCHDUDWPKIZYLT-HUUCEWRRSA-N 1 3 334.464 0.284 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001003298703 748394849 /nfs/dbraw/zinc/39/48/49/748394849.db2.gz QFYVEJMSDWEBNO-HNNXBMFYSA-N 1 3 334.464 0.284 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001003301705 748397711 /nfs/dbraw/zinc/39/77/11/748397711.db2.gz NENDPKPDUJFXMZ-OAHLLOKOSA-N 1 3 348.491 0.674 20 0 ECADHO C[N@H+]([C@H]1CCNC1=O)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646115 748784988 /nfs/dbraw/zinc/78/49/88/748784988.db2.gz HIXWWFWPAZWYQW-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646115 748784992 /nfs/dbraw/zinc/78/49/92/748784992.db2.gz HIXWWFWPAZWYQW-HNNXBMFYSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)CCn2cncn2)CC1 ZINC000985647016 748789563 /nfs/dbraw/zinc/78/95/63/748789563.db2.gz NIHVKKQKHPHLBH-OAHLLOKOSA-N 1 3 334.468 0.685 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1 ZINC000985647016 748789570 /nfs/dbraw/zinc/78/95/70/748789570.db2.gz NIHVKKQKHPHLBH-OAHLLOKOSA-N 1 3 334.468 0.685 20 0 ECADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000985657531 748824891 /nfs/dbraw/zinc/82/48/91/748824891.db2.gz RHMIMNKBEFOASJ-HOTGVXAUSA-N 1 3 338.496 0.870 20 0 ECADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000985657531 748824896 /nfs/dbraw/zinc/82/48/96/748824896.db2.gz RHMIMNKBEFOASJ-HOTGVXAUSA-N 1 3 338.496 0.870 20 0 ECADHO CN(CCF)C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000985694046 748879866 /nfs/dbraw/zinc/87/98/66/748879866.db2.gz GDNFAYVNYQVQDC-UHFFFAOYSA-N 1 3 325.432 0.951 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001088390505 749014292 /nfs/dbraw/zinc/01/42/92/749014292.db2.gz OSBOHFRXZVVQFG-AWEZNQCLSA-N 1 3 331.424 0.605 20 0 ECADHO C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H]3CN(CC(N)=O)C[C@@H]3C2)CC1 ZINC000980183561 749131442 /nfs/dbraw/zinc/13/14/42/749131442.db2.gz HAZQXRUMLAISDS-HRCADAONSA-N 1 3 336.480 0.420 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000980407055 749507574 /nfs/dbraw/zinc/50/75/74/749507574.db2.gz VEXWDWWMYHFCRE-MRXNPFEDSA-N 1 3 334.468 0.523 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000980407055 749507580 /nfs/dbraw/zinc/50/75/80/749507580.db2.gz VEXWDWWMYHFCRE-MRXNPFEDSA-N 1 3 334.468 0.523 20 0 ECADHO CN1CCC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029905107 749537934 /nfs/dbraw/zinc/53/79/34/749537934.db2.gz HSHGANFLMDDPAX-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CCC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029905107 749537938 /nfs/dbraw/zinc/53/79/38/749537938.db2.gz HSHGANFLMDDPAX-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1C[C@H](CNCc2cn(C)nn2)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000980711835 750004456 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SYONLRDLEGHDGJ-FVQBIDKESA-N 1 3 336.480 0.386 20 0 ECADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001005182607 750338293 /nfs/dbraw/zinc/33/82/93/750338293.db2.gz DTQKNVXHHOFKIN-JKSUJKDBSA-N 1 3 346.479 0.782 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@H]2CCN(CC)C2=O)CC1 ZINC001167836037 750507742 /nfs/dbraw/zinc/50/77/42/750507742.db2.gz OLCPJURCICQWQM-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987126708 750512309 /nfs/dbraw/zinc/51/23/09/750512309.db2.gz WMPCKKAWTUHZSS-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC001167836274 750514718 /nfs/dbraw/zinc/51/47/18/750514718.db2.gz RQCCGVMAZJFBCC-OAHLLOKOSA-N 1 3 348.495 0.983 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001067627714 750658133 /nfs/dbraw/zinc/65/81/33/750658133.db2.gz QAUDRSZUNAZGLV-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001067627714 750658142 /nfs/dbraw/zinc/65/81/42/750658142.db2.gz QAUDRSZUNAZGLV-MRXNPFEDSA-N 1 3 340.512 0.975 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000981485130 750737641 /nfs/dbraw/zinc/73/76/41/750737641.db2.gz HDMRMAWEMDGUGR-UONOGXRCSA-N 1 3 348.451 0.303 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC000981485443 750737811 /nfs/dbraw/zinc/73/78/11/750737811.db2.gz IVYHXCMLQQUFPK-LSDHHAIUSA-N 1 3 347.463 0.900 20 0 ECADHO C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901400 751258285 /nfs/dbraw/zinc/25/82/85/751258285.db2.gz NILPQXLKUYOBMC-QCTRZYONSA-N 1 3 349.475 0.155 20 0 ECADHO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901400 751258289 /nfs/dbraw/zinc/25/82/89/751258289.db2.gz NILPQXLKUYOBMC-QCTRZYONSA-N 1 3 349.475 0.155 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCN(CCCF)C2)n1 ZINC001007359140 752326131 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CCN1CC[C@@H](N2CC[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001028657244 754329324 /nfs/dbraw/zinc/32/93/24/754329324.db2.gz XPWCFQAWKYDGQW-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000925324604 754346547 /nfs/dbraw/zinc/34/65/47/754346547.db2.gz VSTHPXWJGPUPOD-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000925324604 754346551 /nfs/dbraw/zinc/34/65/51/754346551.db2.gz VSTHPXWJGPUPOD-CABCVRRESA-N 1 3 337.468 0.029 20 0 ECADHO C[C@@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829255 754498421 /nfs/dbraw/zinc/49/84/21/754498421.db2.gz PUFFAQWWCQQQEI-CVEARBPZSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N[C@@H]3CCN(C)C3=O)C2)CC[N@@H+]1C ZINC001030020710 755637098 /nfs/dbraw/zinc/63/70/98/755637098.db2.gz HHQDNXCBBHAJIB-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N[C@@H]3CCN(C)C3=O)C2)CC[N@H+]1C ZINC001030020710 755637101 /nfs/dbraw/zinc/63/71/01/755637101.db2.gz HHQDNXCBBHAJIB-YHUYYLMFSA-N 1 3 336.480 0.528 20 0 ECADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001083522945 755890204 /nfs/dbraw/zinc/89/02/04/755890204.db2.gz DWHOPPRCGBNGKQ-ZACQAIPSSA-N 1 3 337.464 0.201 20 0 ECADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001083522945 755890206 /nfs/dbraw/zinc/89/02/06/755890206.db2.gz DWHOPPRCGBNGKQ-ZACQAIPSSA-N 1 3 337.464 0.201 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001051600596 762437945 /nfs/dbraw/zinc/43/79/45/762437945.db2.gz YCDFGAVUPDISQA-UKRRQHHQSA-N 1 3 349.479 0.956 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001051600596 762437951 /nfs/dbraw/zinc/43/79/51/762437951.db2.gz YCDFGAVUPDISQA-UKRRQHHQSA-N 1 3 349.479 0.956 20 0 ECADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001076605467 756724798 /nfs/dbraw/zinc/72/47/98/756724798.db2.gz 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CN(C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)CCC1 ZINC001048860478 757205262 /nfs/dbraw/zinc/20/52/62/757205262.db2.gz VYYZWPBHFZTNIQ-ZNMIVQPWSA-N 1 3 334.464 0.140 20 0 ECADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)CCC1 ZINC001048860478 757205265 /nfs/dbraw/zinc/20/52/65/757205265.db2.gz VYYZWPBHFZTNIQ-ZNMIVQPWSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001048863644 757218814 /nfs/dbraw/zinc/21/88/14/757218814.db2.gz JSOARGMMQCGNJB-UTXMOHQDSA-N 1 3 348.491 0.384 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001011256428 757307845 /nfs/dbraw/zinc/30/78/45/757307845.db2.gz UDLXPOMVIUVZNO-INIZCTEOSA-N 1 3 348.491 0.627 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996302053 757311617 /nfs/dbraw/zinc/31/16/17/757311617.db2.gz VYVNTXWJWPCRMI-CABCVRRESA-N 1 3 336.480 0.387 20 0 ECADHO CN(C)[C@H](C(=O)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C1CC1 ZINC001011263701 757328916 /nfs/dbraw/zinc/32/89/16/757328916.db2.gz FTEMUMMGUQFGBD-INIZCTEOSA-N 1 3 348.491 0.626 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282567 757403191 /nfs/dbraw/zinc/40/31/91/757403191.db2.gz XKTNTMKGNKOYHA-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011282567 757403197 /nfs/dbraw/zinc/40/31/97/757403197.db2.gz XKTNTMKGNKOYHA-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000996356783 757459590 /nfs/dbraw/zinc/45/95/90/757459590.db2.gz SLUDKGYRJTVYDQ-KBPBESRZSA-N 1 3 343.435 0.558 20 0 ECADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC000996356967 757460850 /nfs/dbraw/zinc/46/08/50/757460850.db2.gz UVSOGSNNIYYUHI-CQSZACIVSA-N 1 3 333.436 0.401 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001048943681 757480607 /nfs/dbraw/zinc/48/06/07/757480607.db2.gz 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CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049082103 757911481 /nfs/dbraw/zinc/91/14/81/757911481.db2.gz CGIWNJAHCYUXCW-IJEWVQPXSA-N 1 3 345.447 0.352 20 0 ECADHO Cc1nc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996516613 757921850 /nfs/dbraw/zinc/92/18/50/757921850.db2.gz BVELGLVFQYAINK-ZIAGYGMSSA-N 1 3 334.468 0.782 20 0 ECADHO Cc1nc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996516613 757921858 /nfs/dbraw/zinc/92/18/58/757921858.db2.gz BVELGLVFQYAINK-ZIAGYGMSSA-N 1 3 334.468 0.782 20 0 ECADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996562121 758057427 /nfs/dbraw/zinc/05/74/27/758057427.db2.gz UAPBTGZSCRHIRZ-QGZVFWFLSA-N 1 3 331.464 0.843 20 0 ECADHO C[NH+](C)[C@@H](C(=O)N1CCO[C@H](CNCc2ccns2)C1)C1CC1 ZINC001051654679 762603745 /nfs/dbraw/zinc/60/37/45/762603745.db2.gz QUGATQQZLVKTBG-UKRRQHHQSA-N 1 3 338.477 0.800 20 0 ECADHO CN(C(=O)CN1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001049171099 758207615 /nfs/dbraw/zinc/20/76/15/758207615.db2.gz KHZMKXAOHXWWJL-HRCADAONSA-N 1 3 348.491 0.339 20 0 ECADHO CN(C(=O)CN1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001049171099 758207626 /nfs/dbraw/zinc/20/76/26/758207626.db2.gz KHZMKXAOHXWWJL-HRCADAONSA-N 1 3 348.491 0.339 20 0 ECADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001022089124 758260309 /nfs/dbraw/zinc/26/03/09/758260309.db2.gz DCIKYPMQVNLJBB-BBWFWOEESA-N 1 3 329.448 0.864 20 0 ECADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060319607 762627536 /nfs/dbraw/zinc/62/75/36/762627536.db2.gz AHNBWGAFXQHUNT-AWEZNQCLSA-N 1 3 335.452 0.567 20 0 ECADHO C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001077183359 758437560 /nfs/dbraw/zinc/43/75/60/758437560.db2.gz IPCRWJSHYKVQDV-GJZGRUSLSA-N 1 3 338.496 0.681 20 0 ECADHO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000996688389 758476389 /nfs/dbraw/zinc/47/63/89/758476389.db2.gz OYOMWUITTHTKQW-INIZCTEOSA-N 1 3 336.484 0.965 20 0 ECADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CN1CCCC1 ZINC001011770908 758534048 /nfs/dbraw/zinc/53/40/48/758534048.db2.gz GVQVJVQLHUYQDC-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCO[C@H](CNCc2cncn2C)C1)[NH+](C)C ZINC001051667942 762641761 /nfs/dbraw/zinc/64/17/61/762641761.db2.gz ZSKFNOJPYVQADO-CVEARBPZSA-N 1 3 337.468 0.323 20 0 ECADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)N(C)C ZINC001107451295 758598011 /nfs/dbraw/zinc/59/80/11/758598011.db2.gz SWDFCDCLXCGBDD-JFIYKMOQSA-N 1 3 341.496 0.696 20 0 ECADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)N(C)C ZINC001107451295 758598016 /nfs/dbraw/zinc/59/80/16/758598016.db2.gz SWDFCDCLXCGBDD-JFIYKMOQSA-N 1 3 341.496 0.696 20 0 ECADHO COc1ccc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC001127780182 758638258 /nfs/dbraw/zinc/63/82/58/758638258.db2.gz WOYFLLNFYBNBRE-CABCVRRESA-N 1 3 334.420 0.159 20 0 ECADHO COc1ccc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC001127780182 758638264 /nfs/dbraw/zinc/63/82/64/758638264.db2.gz WOYFLLNFYBNBRE-CABCVRRESA-N 1 3 334.420 0.159 20 0 ECADHO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001077366348 758916203 /nfs/dbraw/zinc/91/62/03/758916203.db2.gz CXROMZZIRJHHIL-APHBMKBZSA-N 1 3 345.403 0.077 20 0 ECADHO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001077366348 758916207 /nfs/dbraw/zinc/91/62/07/758916207.db2.gz CXROMZZIRJHHIL-APHBMKBZSA-N 1 3 345.403 0.077 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCN2CCCC2=O)C1 ZINC001049898241 759374664 /nfs/dbraw/zinc/37/46/64/759374664.db2.gz YBJIRUWZPLUQAI-ULQDDVLXSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCN2CCCC2=O)C1 ZINC001049898241 759374673 /nfs/dbraw/zinc/37/46/73/759374673.db2.gz YBJIRUWZPLUQAI-ULQDDVLXSA-N 1 3 348.491 0.626 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCn2cncn2)C1 ZINC001049898472 759375699 /nfs/dbraw/zinc/37/56/99/759375699.db2.gz YTDPRKOLCPZWGE-XHSDSOJGSA-N 1 3 332.452 0.295 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCn2cncn2)C1 ZINC001049898472 759375709 /nfs/dbraw/zinc/37/57/09/759375709.db2.gz YTDPRKOLCPZWGE-XHSDSOJGSA-N 1 3 332.452 0.295 20 0 ECADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001047735559 759469603 /nfs/dbraw/zinc/46/96/03/759469603.db2.gz BOYWYJPXRZZSBN-YDHLFZDLSA-N 1 3 333.436 0.400 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001050075445 759660355 /nfs/dbraw/zinc/66/03/55/759660355.db2.gz GRADVECIHCHJSJ-XUWVNRHRSA-N 1 3 336.480 0.480 20 0 ECADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001050075445 759660358 /nfs/dbraw/zinc/66/03/58/759660358.db2.gz GRADVECIHCHJSJ-XUWVNRHRSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047976217 759761390 /nfs/dbraw/zinc/76/13/90/759761390.db2.gz SHGPLONTXMGIGQ-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047976217 759761394 /nfs/dbraw/zinc/76/13/94/759761394.db2.gz SHGPLONTXMGIGQ-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@H](NCc1nccn1C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048040419 759871236 /nfs/dbraw/zinc/87/12/36/759871236.db2.gz SJYJJQMNGJNJGP-GJZGRUSLSA-N 1 3 331.464 0.843 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@H](CC[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001050232734 760005555 /nfs/dbraw/zinc/00/55/55/760005555.db2.gz DAEAQVNMVGVOEM-JKSUJKDBSA-N 1 3 336.480 0.435 20 0 ECADHO CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050236784 760021781 /nfs/dbraw/zinc/02/17/81/760021781.db2.gz RRHBDBGNFJXUAW-DZGCQCFKSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911163837 760224457 /nfs/dbraw/zinc/22/44/57/760224457.db2.gz ZTXRIVLIXFEUNH-IAOVAPTHSA-N 1 3 344.459 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ECADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082539 761021790 /nfs/dbraw/zinc/02/17/90/761021790.db2.gz UJKDFQYZZZJUFD-HNNXBMFYSA-N 1 3 326.485 0.870 20 0 ECADHO CC[C@@H](C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001017461476 768008221 /nfs/dbraw/zinc/00/82/21/768008221.db2.gz JOEMRMBJZVNMCH-HOTGVXAUSA-N 1 3 336.480 0.553 20 0 ECADHO CC[C@@H](C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001017461476 768008229 /nfs/dbraw/zinc/00/82/29/768008229.db2.gz JOEMRMBJZVNMCH-HOTGVXAUSA-N 1 3 336.480 0.553 20 0 ECADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001050991881 761286460 /nfs/dbraw/zinc/28/64/60/761286460.db2.gz DJOKIOQJZSBZSQ-CABCVRRESA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)(C(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCOC2)C1)N1CCCC1 ZINC001051749651 762869984 /nfs/dbraw/zinc/86/99/84/762869984.db2.gz HVPCJPJHIVQSFL-HOTGVXAUSA-N 1 3 339.480 0.714 20 0 ECADHO CC(C)(C(=O)NCC[NH2+]CCCN1CCCC1=O)N1CCCCC1 ZINC001127317273 768097149 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ZINC001052680537 764987189 /nfs/dbraw/zinc/98/71/89/764987189.db2.gz NDEWHDLSECGCEL-GOEBONIOSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCn3cncn3)CC2)C1 ZINC001052713464 765031504 /nfs/dbraw/zinc/03/15/04/765031504.db2.gz XVKWLWCSTCYYLO-JKSUJKDBSA-N 1 3 334.468 0.591 20 0 ECADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)CC2)C1 ZINC001052713464 765031507 /nfs/dbraw/zinc/03/15/07/765031507.db2.gz XVKWLWCSTCYYLO-JKSUJKDBSA-N 1 3 334.468 0.591 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)CN(C)C1CCC1 ZINC001053362384 766034765 /nfs/dbraw/zinc/03/47/65/766034765.db2.gz RYANJJRRQNFJBG-CABCVRRESA-N 1 3 338.496 0.633 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1 ZINC001031660069 766377685 /nfs/dbraw/zinc/37/76/85/766377685.db2.gz CXDROPNUORPVMR-DLBZAZTESA-N 1 3 349.479 0.165 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1 ZINC001031660069 766377693 /nfs/dbraw/zinc/37/76/93/766377693.db2.gz 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CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)CC2)C1 ZINC001046047495 766777603 /nfs/dbraw/zinc/77/76/03/766777603.db2.gz RIRPFMNDNRJDLP-VZDIDWBNSA-N 1 3 348.491 0.088 20 0 ECADHO CC[C@@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCOC)C2)CC1)N(C)C ZINC001046062134 766831760 /nfs/dbraw/zinc/83/17/60/766831760.db2.gz BHRNONWSCKWNFM-CVEARBPZSA-N 1 3 326.485 0.192 20 0 ECADHO CC[C@@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CCOC)C2)CC1)N(C)C ZINC001046062134 766831767 /nfs/dbraw/zinc/83/17/67/766831767.db2.gz BHRNONWSCKWNFM-CVEARBPZSA-N 1 3 326.485 0.192 20 0 ECADHO C[C@@H](O)CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727793 766861548 /nfs/dbraw/zinc/86/15/48/766861548.db2.gz UGEZJZZWOOZZDE-CZUORRHYSA-N 1 3 325.453 0.059 20 0 ECADHO C[C@@H](O)CN1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727793 766861553 /nfs/dbraw/zinc/86/15/53/766861553.db2.gz UGEZJZZWOOZZDE-CZUORRHYSA-N 1 3 325.453 0.059 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@H]2CC23CCN([C@@H]2CCCNC2=O)CC3)CC1 ZINC001016809600 766966185 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CC1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)CC1 ZINC000992856771 767713255 /nfs/dbraw/zinc/71/32/55/767713255.db2.gz KBBFKIJRLDTFFG-HRCADAONSA-N 1 3 336.480 0.420 20 0 ECADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106634355 768531854 /nfs/dbraw/zinc/53/18/54/768531854.db2.gz BOJHBALBLRXHFX-BFYDXBDKSA-N 1 3 340.512 0.781 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001055372861 768826288 /nfs/dbraw/zinc/82/62/88/768826288.db2.gz LPQJYOIPVWCYLT-IYBDPMFKSA-N 1 3 338.496 0.585 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001055372861 768826297 /nfs/dbraw/zinc/82/62/97/768826297.db2.gz LPQJYOIPVWCYLT-IYBDPMFKSA-N 1 3 338.496 0.585 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000993804371 769645354 /nfs/dbraw/zinc/64/53/54/769645354.db2.gz DFNYTNPSAUJORK-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000993804371 769645359 /nfs/dbraw/zinc/64/53/59/769645359.db2.gz DFNYTNPSAUJORK-HOCLYGCPSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000993826674 769690360 /nfs/dbraw/zinc/69/03/60/769690360.db2.gz CPVKQNPGFHJGOZ-ZIAGYGMSSA-N 1 3 336.480 0.528 20 0 ECADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1=O ZINC001018849650 770089945 /nfs/dbraw/zinc/08/99/45/770089945.db2.gz GNFSRSLWSBGRCB-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]C[C@H]3CCc4ncnn43)C2)CCC1 ZINC001018963299 770412300 /nfs/dbraw/zinc/41/23/00/770412300.db2.gz IVZQYOLIIVZOEN-UONOGXRCSA-N 1 3 332.452 0.440 20 0 ECADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001106878170 770514466 /nfs/dbraw/zinc/51/44/66/770514466.db2.gz HRMVCXSILVUTDT-HUUCEWRRSA-N 1 3 337.468 0.182 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001083749676 770563390 /nfs/dbraw/zinc/56/33/90/770563390.db2.gz MDDBZBVTAHSORO-OAGGEKHMSA-N 1 3 325.453 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ZINC001019382987 771229820 /nfs/dbraw/zinc/22/98/20/771229820.db2.gz RMXXDPJXDDLSRD-YOEHRIQHSA-N 1 3 344.459 0.818 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001019382987 771229822 /nfs/dbraw/zinc/22/98/22/771229822.db2.gz RMXXDPJXDDLSRD-YOEHRIQHSA-N 1 3 344.459 0.818 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001019383204 771231349 /nfs/dbraw/zinc/23/13/49/771231349.db2.gz ZIEABSYPWIIEAQ-ZBFHGGJFSA-N 1 3 332.448 0.418 20 0 ECADHO CC(C)(C)N1CC[C@H](NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480064 771314784 /nfs/dbraw/zinc/31/47/84/771314784.db2.gz HUBMOWMJDGMLKS-GJZGRUSLSA-N 1 3 336.480 0.433 20 0 ECADHO C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH]cn1 ZINC001056548425 771373073 /nfs/dbraw/zinc/37/30/73/771373073.db2.gz NEDJZQXOYMSOOS-CABCVRRESA-N 1 3 333.436 0.496 20 0 ECADHO Cn1cc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CN4CCC[C@@H]4CO3)C2)cn1 ZINC001020179392 772251552 /nfs/dbraw/zinc/25/15/52/772251552.db2.gz ZELRKGZUGNZYHZ-QBPKDAKJSA-N 1 3 347.463 0.063 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001078468938 783008235 /nfs/dbraw/zinc/00/82/35/783008235.db2.gz SDIHTXRVRPJLOT-NVXWUHKLSA-N 1 3 349.479 0.469 20 0 ECADHO COc1coc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CO[C@@H](C)C3)C2)cc1=O ZINC001020316325 772437744 /nfs/dbraw/zinc/43/77/44/772437744.db2.gz KXWMSCNZDVJQGN-RNJOBUHISA-N 1 3 336.388 0.810 20 0 ECADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccns2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406979 772550958 /nfs/dbraw/zinc/55/09/58/772550958.db2.gz IZECNAWLZOSQJF-GUKIMBLNSA-N 1 3 348.472 0.743 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001040638787 783154547 /nfs/dbraw/zinc/15/45/47/783154547.db2.gz QUMJTLJRGRKKHT-JKSUJKDBSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H]1C[C@@H](NCc2ccn(C)n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044825540 774654123 /nfs/dbraw/zinc/65/41/23/774654123.db2.gz UZAPTBYHWARBCL-GJZGRUSLSA-N 1 3 331.464 0.985 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001044959338 774769282 /nfs/dbraw/zinc/76/92/82/774769282.db2.gz FAPKGJPEYYJOEK-DLBZAZTESA-N 1 3 344.459 0.960 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001045038857 774880913 /nfs/dbraw/zinc/88/09/13/774880913.db2.gz AVDGMGFOGKLZDW-DLBZAZTESA-N 1 3 331.464 0.843 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045321318 775408920 /nfs/dbraw/zinc/40/89/20/775408920.db2.gz LOAVNIOVMHBWRY-RDJZCZTQSA-N 1 3 344.459 0.831 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001079807222 776911230 /nfs/dbraw/zinc/91/12/30/776911230.db2.gz OHGLGDXROIWIKE-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001079807222 776911231 /nfs/dbraw/zinc/91/12/31/776911231.db2.gz OHGLGDXROIWIKE-OAHLLOKOSA-N 1 3 336.480 0.626 20 0 ECADHO CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001079945559 777125031 /nfs/dbraw/zinc/12/50/31/777125031.db2.gz PTTPIAWHOLPKMP-HZPDHXFCSA-N 1 3 336.480 0.480 20 0 ECADHO CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001079950640 777135081 /nfs/dbraw/zinc/13/50/81/777135081.db2.gz DAHUJFDMUWJIKC-HOTGVXAUSA-N 1 3 338.496 0.726 20 0 ECADHO CCN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080181919 777511981 /nfs/dbraw/zinc/51/19/81/777511981.db2.gz BVRIBVGCDWTQMG-INIZCTEOSA-N 1 3 338.496 0.872 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001080191829 777529476 /nfs/dbraw/zinc/52/94/76/777529476.db2.gz CAGAXCPHGZFIIF-QGZVFWFLSA-N 1 3 340.512 0.974 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001080192281 777530453 /nfs/dbraw/zinc/53/04/53/777530453.db2.gz MBIIFQJXPOHCIX-GDBMZVCRSA-N 1 3 338.496 0.585 20 0 ECADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001080192281 777530459 /nfs/dbraw/zinc/53/04/59/777530459.db2.gz MBIIFQJXPOHCIX-GDBMZVCRSA-N 1 3 338.496 0.585 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001078819376 780535334 /nfs/dbraw/zinc/53/53/34/780535334.db2.gz MPDTZFZLSIHREW-JKSUJKDBSA-N 1 3 344.459 0.864 20 0 ECADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2 ZINC001078819374 780535879 /nfs/dbraw/zinc/53/58/79/780535879.db2.gz MPDTZFZLSIHREW-HOTGVXAUSA-N 1 3 344.459 0.864 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001077661635 781451146 /nfs/dbraw/zinc/45/11/46/781451146.db2.gz AYEJJCXSNQCJBJ-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077661635 781451150 /nfs/dbraw/zinc/45/11/50/781451150.db2.gz AYEJJCXSNQCJBJ-GJZGRUSLSA-N 1 3 326.485 0.681 20 0 ECADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001077664243 781457354 /nfs/dbraw/zinc/45/73/54/781457354.db2.gz VDVHFSXMPZNKOP-HOCLYGCPSA-N 1 3 338.496 0.681 20 0 ECADHO COCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489104 781617859 /nfs/dbraw/zinc/61/78/59/781617859.db2.gz NRJWWIUFLTTWKO-TXLGJMDYSA-N 1 3 349.475 0.420 20 0 ECADHO COCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489104 781617863 /nfs/dbraw/zinc/61/78/63/781617863.db2.gz NRJWWIUFLTTWKO-TXLGJMDYSA-N 1 3 349.475 0.420 20 0 ECADHO CC[C@H](C(N)=O)N1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041626100 781879476 /nfs/dbraw/zinc/87/94/76/781879476.db2.gz PPVPQYXOJGGLPX-QAPCUYQASA-N 1 3 336.480 0.517 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CCC3(C2)CCN([C@H]2CCNC2=O)CC3)C1 ZINC001040848468 783554447 /nfs/dbraw/zinc/55/44/47/783554447.db2.gz JMUVQZYKCKXQLJ-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC3(C2)CCN([C@H]2CCNC2=O)CC3)C1 ZINC001040848468 783554451 /nfs/dbraw/zinc/55/44/51/783554451.db2.gz JMUVQZYKCKXQLJ-HOTGVXAUSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001037863918 783653658 /nfs/dbraw/zinc/65/36/58/783653658.db2.gz ZEYQFUCYKJIEIQ-DOTOQJQBSA-N 1 3 348.495 0.979 20 0 ECADHO CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1NCc1nncn1C ZINC001037924842 783705949 /nfs/dbraw/zinc/70/59/49/783705949.db2.gz MAIRVUQZPRTZQG-GDBMZVCRSA-N 1 3 348.495 0.874 20 0 ECADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001070289768 783796043 /nfs/dbraw/zinc/79/60/43/783796043.db2.gz UUQKEZQTCLKQSG-OAGGEKHMSA-N 1 3 334.468 0.902 20 0 ECADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCN2C[C@@H]2CCCOC2)n1 ZINC001038259361 784074457 /nfs/dbraw/zinc/07/44/57/784074457.db2.gz GBKQGAPFHMPEDI-HOTGVXAUSA-N 1 3 349.479 0.675 20 0 ECADHO Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]CC2CC2)c1 ZINC001070540653 784244649 /nfs/dbraw/zinc/24/46/49/784244649.db2.gz BVUKIDDKYWYCFS-GOEBONIOSA-N 1 3 328.420 0.680 20 0 ECADHO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC1CC1 ZINC001070629836 784461831 /nfs/dbraw/zinc/46/18/31/784461831.db2.gz TUUUIQQJUQCTKT-BZUAXINKSA-N 1 3 331.464 0.808 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072432328 786175412 /nfs/dbraw/zinc/17/54/12/786175412.db2.gz IAZJQEOXNKLXSX-GJZGRUSLSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072432327 786175520 /nfs/dbraw/zinc/17/55/20/786175520.db2.gz IAZJQEOXNKLXSX-CABCVRRESA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001072432528 786175994 /nfs/dbraw/zinc/17/59/94/786175994.db2.gz JTPQHEFBALZSNQ-GOEBONIOSA-N 1 3 348.491 0.530 20 0 ECADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001074198058 786428393 /nfs/dbraw/zinc/42/83/93/786428393.db2.gz JHFXBVBAYYBSPI-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CN(CCOC)CCCO2)C1 ZINC001073741778 787099370 /nfs/dbraw/zinc/09/93/70/787099370.db2.gz XCCJNMINVSKGRC-IRXDYDNUSA-N 1 3 341.496 0.962 20 0 ECADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CN(CCOC)CCCO2)C1 ZINC001073741778 787099375 /nfs/dbraw/zinc/09/93/75/787099375.db2.gz XCCJNMINVSKGRC-IRXDYDNUSA-N 1 3 341.496 0.962 20 0 ECADHO C[C@@H](O)CN1CCCO[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001073821215 787266678 /nfs/dbraw/zinc/26/66/78/787266678.db2.gz CRMRNWQICLTNNK-CRAIPNDOSA-N 1 3 349.475 0.950 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001074648482 787502291 /nfs/dbraw/zinc/50/22/91/787502291.db2.gz AEBQJANRACGDFK-JYJNAYRXSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001074648482 787502300 /nfs/dbraw/zinc/50/23/00/787502300.db2.gz AEBQJANRACGDFK-JYJNAYRXSA-N 1 3 336.480 0.671 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001074016986 787687011 /nfs/dbraw/zinc/68/70/11/787687011.db2.gz MVAIKJQREFDFEB-LSDHHAIUSA-N 1 3 326.485 0.632 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001074090322 787856359 /nfs/dbraw/zinc/85/63/59/787856359.db2.gz NCPPOYWPTDHBSQ-TZMCWYRMSA-N 1 3 335.452 0.566 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001074164300 787972556 /nfs/dbraw/zinc/97/25/56/787972556.db2.gz CYCAHQWCFVWBJR-ZFWWWQNUSA-N 1 3 335.452 0.647 20 0 ECADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001072621953 788452004 /nfs/dbraw/zinc/45/20/04/788452004.db2.gz ISJONQDXRZZHDZ-GJZGRUSLSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072627703 788466827 /nfs/dbraw/zinc/46/68/27/788466827.db2.gz YVAVWZBOADPSSE-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072627705 788466925 /nfs/dbraw/zinc/46/69/25/788466925.db2.gz YVAVWZBOADPSSE-LSDHHAIUSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001072740414 788682956 /nfs/dbraw/zinc/68/29/56/788682956.db2.gz YUXFIMWNYAMTQU-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001072740414 788682958 /nfs/dbraw/zinc/68/29/58/788682958.db2.gz YUXFIMWNYAMTQU-ZBFHGGJFSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001072799335 788825570 /nfs/dbraw/zinc/82/55/70/788825570.db2.gz VVFRZTUJINICFA-UKRRQHHQSA-N 1 3 335.452 0.647 20 0 ECADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072799961 788826246 /nfs/dbraw/zinc/82/62/46/788826246.db2.gz VJPQABPMVCQECC-INIZCTEOSA-N 1 3 346.479 0.687 20 0 ECADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072799961 788826254 /nfs/dbraw/zinc/82/62/54/788826254.db2.gz VJPQABPMVCQECC-INIZCTEOSA-N 1 3 346.479 0.687 20 0 ECADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001072800923 788830684 /nfs/dbraw/zinc/83/06/84/788830684.db2.gz HZCREXKEOZFNEV-GOEBONIOSA-N 1 3 347.463 0.791 20 0 ECADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C3)C2)C1=O ZINC001072815218 788870931 /nfs/dbraw/zinc/87/09/31/788870931.db2.gz UFFWCADYSNSTTI-HZPDHXFCSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1CNCc1cn(C)nn1 ZINC001075322269 789210882 /nfs/dbraw/zinc/21/08/82/789210882.db2.gz TVUWQIFQVFBGSC-GDBMZVCRSA-N 1 3 348.495 0.731 20 0 ECADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)[nH]1 ZINC001075356244 789264360 /nfs/dbraw/zinc/26/43/60/789264360.db2.gz WPSCRKMCUOWFGS-HIFRSBDPSA-N 1 3 346.479 0.783 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001073131556 789498254 /nfs/dbraw/zinc/49/82/54/789498254.db2.gz PZTUSAYCJJHOTG-OAHLLOKOSA-N 1 3 343.431 0.184 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001073131556 789498260 /nfs/dbraw/zinc/49/82/60/789498260.db2.gz PZTUSAYCJJHOTG-OAHLLOKOSA-N 1 3 343.431 0.184 20 0 ECADHO CCCN(C)CC(=O)NC1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001073239018 789645492 /nfs/dbraw/zinc/64/54/92/789645492.db2.gz BBHKQVOYTUPHIZ-UHFFFAOYSA-N 1 3 326.485 0.777 20 0 ECADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001073491047 789898082 /nfs/dbraw/zinc/89/80/82/789898082.db2.gz NQFVOMAMIGOWPZ-AWEZNQCLSA-N 1 3 335.452 0.647 20 0 ECADHO CCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930813 790203285 /nfs/dbraw/zinc/20/32/85/790203285.db2.gz ZZYMTPCSWJDBPY-FPCVCCKLSA-N 1 3 334.468 0.760 20 0 ECADHO CCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930813 790203290 /nfs/dbraw/zinc/20/32/90/790203290.db2.gz ZZYMTPCSWJDBPY-FPCVCCKLSA-N 1 3 334.468 0.760 20 0 ECADHO CN(CCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1CCCN1C ZINC001067008981 792564070 /nfs/dbraw/zinc/56/40/70/792564070.db2.gz FHSKYPVGUWVHNF-HNNXBMFYSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001068168937 792775452 /nfs/dbraw/zinc/77/54/52/792775452.db2.gz ZULIDNNKOQYEDW-HIFRSBDPSA-N 1 3 335.452 0.457 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001068168937 792775464 /nfs/dbraw/zinc/77/54/64/792775464.db2.gz ZULIDNNKOQYEDW-HIFRSBDPSA-N 1 3 335.452 0.457 20 0 ECADHO C[C@@H]1CCCN(C(=O)CNCCN(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001266827219 836353232 /nfs/dbraw/zinc/35/32/32/836353232.db2.gz OPBZQBLGZJUXMO-OAHLLOKOSA-N 1 3 338.496 0.635 20 0 ECADHO COCCOCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266842955 836369682 /nfs/dbraw/zinc/36/96/82/836369682.db2.gz XXIFTNZQCMGHPU-BRWVUGGUSA-N 1 3 341.496 0.960 20 0 ECADHO COCCOCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266842955 836369686 /nfs/dbraw/zinc/36/96/86/836369686.db2.gz XXIFTNZQCMGHPU-BRWVUGGUSA-N 1 3 341.496 0.960 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCN2CCCC2=O)C1 ZINC001267035841 836658110 /nfs/dbraw/zinc/65/81/10/836658110.db2.gz PTDKCNHXFGFXKW-JKSUJKDBSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)(O)C[NH+]1CCC(NC[C@@]2(CO)COC[C@@H]3CCCN32)CC1 ZINC001414194201 839170180 /nfs/dbraw/zinc/17/01/80/839170180.db2.gz HWTVCUBERBGZNL-FUHWJXTLSA-N 1 3 341.496 0.037 20 0 ECADHO CC(C)(O)CN1CCC([NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)CC1 ZINC001414194201 839170187 /nfs/dbraw/zinc/17/01/87/839170187.db2.gz HWTVCUBERBGZNL-FUHWJXTLSA-N 1 3 341.496 0.037 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423194863 282093065 /nfs/dbraw/zinc/09/30/65/282093065.db2.gz RYARCBBUBMUVIP-MRXNPFEDSA-N 1 3 338.496 0.764 20 0 ECADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000427870513 210226380 /nfs/dbraw/zinc/22/63/80/210226380.db2.gz GATKJUQZQLAHOP-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000427870513 210226383 /nfs/dbraw/zinc/22/63/83/210226383.db2.gz GATKJUQZQLAHOP-HUUCEWRRSA-N 1 3 326.485 0.633 20 0 ECADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000426773735 210163035 /nfs/dbraw/zinc/16/30/35/210163035.db2.gz QPPQZGVJYBXWNY-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000426773735 210163039 /nfs/dbraw/zinc/16/30/39/210163039.db2.gz QPPQZGVJYBXWNY-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C[C@@H](O)CN ZINC000420356652 282397465 /nfs/dbraw/zinc/39/74/65/282397465.db2.gz RFWSXIFEWVRPGG-INIZCTEOSA-N 1 3 338.427 0.116 20 0 ECADHO C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C[C@@H](O)CN ZINC000420356652 282397466 /nfs/dbraw/zinc/39/74/66/282397466.db2.gz RFWSXIFEWVRPGG-INIZCTEOSA-N 1 3 338.427 0.116 20 0 ECADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000354965002 299173940 /nfs/dbraw/zinc/17/39/40/299173940.db2.gz RRBCNBRMNGFVOX-HZPDHXFCSA-N 1 3 338.496 0.918 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000420121357 282949500 /nfs/dbraw/zinc/94/95/00/282949500.db2.gz LONJZOJNUIGPQU-HZPDHXFCSA-N 1 3 338.496 0.810 20 0 ECADHO COC(=O)CN(C)C(=O)CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441260228 291064525 /nfs/dbraw/zinc/06/45/25/291064525.db2.gz AIXNXOSMWKJGBU-SOUVJXGZSA-N 1 3 341.452 0.191 20 0 ECADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCC2CC[NH+](C)CC2)CCN1C ZINC000355860899 299311102 /nfs/dbraw/zinc/31/11/02/299311102.db2.gz ICOUWCQILKOPQB-GDBMZVCRSA-N 1 3 338.496 0.776 20 0 ECADHO COC(=O)c1ccccc1OCCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350853 209357100 /nfs/dbraw/zinc/35/71/00/209357100.db2.gz VBBANNJTEKFZEG-HNNXBMFYSA-N 1 3 333.432 0.832 20 0 ECADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355884777 299315136 /nfs/dbraw/zinc/31/51/36/299315136.db2.gz XGOUHJKNBXYMKW-GOEBONIOSA-N 1 3 338.496 0.633 20 0 ECADHO CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000420311592 209352864 /nfs/dbraw/zinc/35/28/64/209352864.db2.gz NRGHTEPZKCNNPM-HUUCEWRRSA-N 1 3 325.453 0.991 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000420152777 209323838 /nfs/dbraw/zinc/32/38/38/209323838.db2.gz ZJDWMNLJHSIEIV-CABCVRRESA-N 1 3 326.485 0.810 20 0 ECADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000420152777 209323841 /nfs/dbraw/zinc/32/38/41/209323841.db2.gz ZJDWMNLJHSIEIV-CABCVRRESA-N 1 3 326.485 0.810 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000420150391 209322519 /nfs/dbraw/zinc/32/25/19/209322519.db2.gz XBIBJWBZXRINNB-HUUCEWRRSA-N 1 3 326.485 0.714 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000420150391 209322523 /nfs/dbraw/zinc/32/25/23/209322523.db2.gz XBIBJWBZXRINNB-HUUCEWRRSA-N 1 3 326.485 0.714 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000420104536 209307798 /nfs/dbraw/zinc/30/77/98/209307798.db2.gz PKAKFCQLQZIMHR-VKJFTORMSA-N 1 3 338.496 0.729 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000420082774 209302153 /nfs/dbraw/zinc/30/21/53/209302153.db2.gz RFVVBYMPIIXYJJ-ZDUSSCGKSA-N 1 3 326.485 0.809 20 0 ECADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420040853 209286177 /nfs/dbraw/zinc/28/61/77/209286177.db2.gz BDFYNSUGNXJNIX-UHFFFAOYSA-N 1 3 338.427 0.569 20 0 ECADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420021912 209280225 /nfs/dbraw/zinc/28/02/25/209280225.db2.gz UTJANRQYCKAFSE-ARFHVFGLSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000420004721 209274012 /nfs/dbraw/zinc/27/40/12/209274012.db2.gz BECABKJQYHSFAP-LBPRGKRZSA-N 1 3 340.855 0.694 20 0 ECADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420002260 209274017 /nfs/dbraw/zinc/27/40/17/209274017.db2.gz WFQDGJQXBLQCQJ-CQSZACIVSA-N 1 3 334.464 0.950 20 0 ECADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000419955177 209259301 /nfs/dbraw/zinc/25/93/01/209259301.db2.gz NEKSPVDNRGXTNK-OAHLLOKOSA-N 1 3 326.485 0.810 20 0 ECADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000419953358 209257875 /nfs/dbraw/zinc/25/78/75/209257875.db2.gz KWTSDMPABOGOSB-INIZCTEOSA-N 1 3 338.496 0.810 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419908936 209245545 /nfs/dbraw/zinc/24/55/45/209245545.db2.gz FOAIQWDLTKUFHI-HOCLYGCPSA-N 1 3 332.448 0.603 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419908936 209245548 /nfs/dbraw/zinc/24/55/48/209245548.db2.gz FOAIQWDLTKUFHI-HOCLYGCPSA-N 1 3 332.448 0.603 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C[NH+]1CCCC1 ZINC000419839962 209220287 /nfs/dbraw/zinc/22/02/87/209220287.db2.gz ZBPKRJKZQYWWMZ-RDBSUJKOSA-N 1 3 340.468 0.064 20 0 ECADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCC[NH3+] ZINC000419837852 209219476 /nfs/dbraw/zinc/21/94/76/209219476.db2.gz NEMLBPICIPTZBV-UHFFFAOYSA-N 1 3 340.855 0.695 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)C(C)C ZINC000419793455 209206394 /nfs/dbraw/zinc/20/63/94/209206394.db2.gz BTZOJPLQWJVOFC-CABCVRRESA-N 1 3 326.485 0.807 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000419771741 209201997 /nfs/dbraw/zinc/20/19/97/209201997.db2.gz GWAZDWGURBBBDR-SOUVJXGZSA-N 1 3 338.496 0.727 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419757287 209198649 /nfs/dbraw/zinc/19/86/49/209198649.db2.gz UHTFBUQUTSHCTH-AWEZNQCLSA-N 1 3 342.484 0.092 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000419757009 209198351 /nfs/dbraw/zinc/19/83/51/209198351.db2.gz BYPOATBOUNKHNM-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO C[NH2+]CCNC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000419734070 209191188 /nfs/dbraw/zinc/19/11/88/209191188.db2.gz UYGAZKLXCGTWSD-AWEZNQCLSA-N 1 3 332.448 0.664 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000236840498 242377965 /nfs/dbraw/zinc/37/79/65/242377965.db2.gz FMYRHPZRFFJYOL-QGZVFWFLSA-N 1 3 346.475 0.742 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000356505276 299398246 /nfs/dbraw/zinc/39/82/46/299398246.db2.gz LWFVVKCQUHOLMB-INIZCTEOSA-N 1 3 328.501 0.297 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000356505276 299398249 /nfs/dbraw/zinc/39/82/49/299398249.db2.gz LWFVVKCQUHOLMB-INIZCTEOSA-N 1 3 328.501 0.297 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000356505276 299398250 /nfs/dbraw/zinc/39/82/50/299398250.db2.gz LWFVVKCQUHOLMB-INIZCTEOSA-N 1 3 328.501 0.297 20 0 ECADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419694491 209174670 /nfs/dbraw/zinc/17/46/70/209174670.db2.gz JOXPKYRFJPQZCQ-BZUAXINKSA-N 1 3 338.496 0.727 20 0 ECADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000419640628 209153744 /nfs/dbraw/zinc/15/37/44/209153744.db2.gz DGROEOPEUDCSQC-ZFWWWQNUSA-N 1 3 332.448 0.710 20 0 ECADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419641022 209153764 /nfs/dbraw/zinc/15/37/64/209153764.db2.gz KTYWYEGMWQYGAL-BBRMVZONSA-N 1 3 332.448 0.560 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000419634262 209152560 /nfs/dbraw/zinc/15/25/60/209152560.db2.gz BYKFKKLTDRASIU-OAGGEKHMSA-N 1 3 336.480 0.753 20 0 ECADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000419634262 209152564 /nfs/dbraw/zinc/15/25/64/209152564.db2.gz BYKFKKLTDRASIU-OAGGEKHMSA-N 1 3 336.480 0.753 20 0 ECADHO CCN(CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CC1 ZINC000419509250 209111762 /nfs/dbraw/zinc/11/17/62/209111762.db2.gz DVWYYJHOUONOLJ-DLBZAZTESA-N 1 3 344.459 0.540 20 0 ECADHO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[C@H](N2CCCCC2)C1 ZINC000261636480 296279731 /nfs/dbraw/zinc/27/97/31/296279731.db2.gz HYMKLXRZBQTROJ-HNNXBMFYSA-N 1 3 332.452 0.903 20 0 ECADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000449709891 211293700 /nfs/dbraw/zinc/29/37/00/211293700.db2.gz KRTGXBUDZHVVFD-HNNXBMFYSA-N 1 3 325.453 0.516 20 0 ECADHO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1CN1CCCC1 ZINC000433391752 296306698 /nfs/dbraw/zinc/30/66/98/296306698.db2.gz WZOGCGGAUARNMU-GJZGRUSLSA-N 1 3 332.452 0.903 20 0 ECADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1)c1ccccc1 ZINC000411985780 208183840 /nfs/dbraw/zinc/18/38/40/208183840.db2.gz JHRPPLDZEBZYLK-FGTMMUONSA-N 1 3 349.475 0.783 20 0 ECADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000430692345 210397924 /nfs/dbraw/zinc/39/79/24/210397924.db2.gz RGDZKPJUHIAUJK-OAHLLOKOSA-N 1 3 330.432 0.932 20 0 ECADHO CC(C)N(C)CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000112294297 220288981 /nfs/dbraw/zinc/28/89/81/220288981.db2.gz BIMYEKIKEYSOJA-UHFFFAOYSA-N 1 3 334.464 0.934 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000418942741 208918760 /nfs/dbraw/zinc/91/87/60/208918760.db2.gz XSUULUVFRIUHEE-INIZCTEOSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419154696 209004767 /nfs/dbraw/zinc/00/47/67/209004767.db2.gz SBNKFUMRQIMPBN-CYBMUJFWSA-N 1 3 336.436 0.049 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000419426860 209093011 /nfs/dbraw/zinc/09/30/11/209093011.db2.gz RDICEOWTRSIRHJ-OAHLLOKOSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419427230 209091822 /nfs/dbraw/zinc/09/18/22/209091822.db2.gz RMIZSGDOKKOEFO-AWEZNQCLSA-N 1 3 332.448 0.262 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166183 209008867 /nfs/dbraw/zinc/00/88/67/209008867.db2.gz HBYRYTISSORNFR-WBVHZDCISA-N 1 3 346.475 0.473 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166183 209008869 /nfs/dbraw/zinc/00/88/69/209008869.db2.gz HBYRYTISSORNFR-WBVHZDCISA-N 1 3 346.475 0.473 20 0 ECADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000419200457 209022619 /nfs/dbraw/zinc/02/26/19/209022619.db2.gz FIWDEZFLUXMFLO-OAHLLOKOSA-N 1 3 348.447 0.193 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000419202289 209022759 /nfs/dbraw/zinc/02/27/59/209022759.db2.gz GXZYAGDMCPWECX-HNNXBMFYSA-N 1 3 348.447 0.064 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000419204440 209023257 /nfs/dbraw/zinc/02/32/57/209023257.db2.gz IXWLESJTWRTTOS-OAHLLOKOSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000419219553 209030868 /nfs/dbraw/zinc/03/08/68/209030868.db2.gz UANVAFHZENXMBF-GJZGRUSLSA-N 1 3 346.475 0.998 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000419219553 209030870 /nfs/dbraw/zinc/03/08/70/209030870.db2.gz UANVAFHZENXMBF-GJZGRUSLSA-N 1 3 346.475 0.998 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419278450 209048437 /nfs/dbraw/zinc/04/84/37/209048437.db2.gz ATMGCLWORHTJCR-AWEZNQCLSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419311215 209056891 /nfs/dbraw/zinc/05/68/91/209056891.db2.gz BKIQQFWHSFHEKI-KCXAZCMYSA-N 1 3 336.480 0.609 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000419327311 209061382 /nfs/dbraw/zinc/06/13/82/209061382.db2.gz ZJSXEZGUKNAWGQ-XNRPHZJLSA-N 1 3 330.432 0.544 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])Cc1ccccc1 ZINC000419369807 209071345 /nfs/dbraw/zinc/07/13/45/209071345.db2.gz IHZIVCZHGAOEDT-MRXNPFEDSA-N 1 3 334.464 0.473 20 0 ECADHO C[C@H](NC(=O)C(=O)N(C)CCN1CCCC1)C(C)(C)C[NH+](C)C ZINC000358818787 299762671 /nfs/dbraw/zinc/76/26/71/299762671.db2.gz DGLVUVIWBDPFOL-AWEZNQCLSA-N 1 3 326.485 0.633 20 0 ECADHO CNC(=O)[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000247493198 165164088 /nfs/dbraw/zinc/16/40/88/165164088.db2.gz HDNYEKLVNRILQR-OBMMGQTPSA-N 1 3 336.480 0.459 20 0 ECADHO CNC(=O)[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000247493198 165164095 /nfs/dbraw/zinc/16/40/95/165164095.db2.gz HDNYEKLVNRILQR-OBMMGQTPSA-N 1 3 336.480 0.459 20 0 ECADHO CCC(CC)(C[NH3+])C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000261802399 165245520 /nfs/dbraw/zinc/24/55/20/165245520.db2.gz LWKMTQHNYHWUJV-UHFFFAOYSA-N 1 3 326.485 0.810 20 0 ECADHO C[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000261926150 165264024 /nfs/dbraw/zinc/26/40/24/165264024.db2.gz YGYFCEBLICLZTP-OAHLLOKOSA-N 1 3 346.475 0.820 20 0 ECADHO NC(=O)c1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000262121276 165294606 /nfs/dbraw/zinc/29/46/06/165294606.db2.gz CANJDBHSYXFTSB-RDJZCZTQSA-N 1 3 344.459 0.866 20 0 ECADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000262311724 165327408 /nfs/dbraw/zinc/32/74/08/165327408.db2.gz BMTRKUYUAFCNBR-CLWVCHIJSA-N 1 3 325.453 0.057 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1=O ZINC000262848809 165394334 /nfs/dbraw/zinc/39/43/34/165394334.db2.gz JUWIWQYREVRVNZ-LVQVYYBASA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[NH2+]C[C@H]2CCCO2)C[C@H](C)O1 ZINC000237665569 263174931 /nfs/dbraw/zinc/17/49/31/263174931.db2.gz QJZWLLSRQCMYDI-OWCLPIDISA-N 1 3 327.469 0.761 20 0 ECADHO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C2(N)CC2)CC1 ZINC000262697858 263177410 /nfs/dbraw/zinc/17/74/10/263177410.db2.gz FOZKZVZPGLSZFI-UHFFFAOYSA-N 1 3 332.448 0.767 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(=O)n1C ZINC000270267624 263231977 /nfs/dbraw/zinc/23/19/77/263231977.db2.gz XBJWKXUTNYJPJP-OAHLLOKOSA-N 1 3 334.464 0.873 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(=O)n1C ZINC000270267624 263231979 /nfs/dbraw/zinc/23/19/79/263231979.db2.gz XBJWKXUTNYJPJP-OAHLLOKOSA-N 1 3 334.464 0.873 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000283798048 264153220 /nfs/dbraw/zinc/15/32/20/264153220.db2.gz VUCJSBCGZLQWMA-UHFFFAOYSA-N 1 3 348.491 0.865 20 0 ECADHO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000283859139 264160435 /nfs/dbraw/zinc/16/04/35/264160435.db2.gz HWBPFBUMSPSRCY-QGZVFWFLSA-N 1 3 346.475 0.960 20 0 ECADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000343948669 276378396 /nfs/dbraw/zinc/37/83/96/276378396.db2.gz ZUIQYGZUTXETPF-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO COC1(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]CC1 ZINC000269245975 277180189 /nfs/dbraw/zinc/18/01/89/277180189.db2.gz DKMJCGJJCFTSMV-UHFFFAOYSA-N 1 3 331.460 0.970 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000420017826 278182585 /nfs/dbraw/zinc/18/25/85/278182585.db2.gz WVAHZWPAPROPHE-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](CN)NC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000420017826 278182586 /nfs/dbraw/zinc/18/25/86/278182586.db2.gz WVAHZWPAPROPHE-CABCVRRESA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419398894 278246025 /nfs/dbraw/zinc/24/60/25/278246025.db2.gz IMARKFPYWQBRAE-ZOBUZTSGSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419398894 278246029 /nfs/dbraw/zinc/24/60/29/278246029.db2.gz IMARKFPYWQBRAE-ZOBUZTSGSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)C(=O)N1c1ccccc1 ZINC000415099678 278919413 /nfs/dbraw/zinc/91/94/13/278919413.db2.gz GZFBVIFQYVYBMO-HLLBOEOZSA-N 1 3 344.459 0.967 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000419762576 279289982 /nfs/dbraw/zinc/28/99/82/279289982.db2.gz MEGQXSUXVKCYHI-PBHICJAKSA-N 1 3 346.475 0.819 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000340214410 437603268 /nfs/dbraw/zinc/60/32/68/437603268.db2.gz MKOJPNVDIVJMEP-CABCVRRESA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000340214410 437603273 /nfs/dbraw/zinc/60/32/73/437603273.db2.gz MKOJPNVDIVJMEP-CABCVRRESA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)[C@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)N(C)C ZINC000412464634 280169352 /nfs/dbraw/zinc/16/93/52/280169352.db2.gz POWHOHGRBIZVIC-MRXNPFEDSA-N 1 3 340.512 0.485 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340214653 437604923 /nfs/dbraw/zinc/60/49/23/437604923.db2.gz NLZBOXMBTVBJME-YCPHGPKFSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000340214653 437604924 /nfs/dbraw/zinc/60/49/24/437604924.db2.gz NLZBOXMBTVBJME-YCPHGPKFSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410584687 288306819 /nfs/dbraw/zinc/30/68/19/288306819.db2.gz LUZWJIQEHXOFIC-WBVHZDCISA-N 1 3 348.491 0.768 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417199137 289187074 /nfs/dbraw/zinc/18/70/74/289187074.db2.gz SOGKYMVBTVBFES-SJORKVTESA-N 1 3 334.464 0.837 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C[C@@H]21 ZINC000410718348 290160244 /nfs/dbraw/zinc/16/02/44/290160244.db2.gz LKHIKRFTMZQDRU-OAGGEKHMSA-N 1 3 334.464 0.093 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](N4CCCC4)C3)C[C@H]21 ZINC000423146807 295307685 /nfs/dbraw/zinc/30/76/85/295307685.db2.gz BBOVZAXDKLKBED-QBPKDAKJSA-N 1 3 348.491 0.659 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171780 297092518 /nfs/dbraw/zinc/09/25/18/297092518.db2.gz UOXIDEUPDWCZBF-KFWWJZLASA-N 1 3 336.480 0.576 20 0 ECADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333828435 297151275 /nfs/dbraw/zinc/15/12/75/297151275.db2.gz SJFJOTYJOBTVMN-IRXDYDNUSA-N 1 3 335.496 0.692 20 0 ECADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000334075182 297161617 /nfs/dbraw/zinc/16/16/17/297161617.db2.gz CFFBUXLMMDNBGN-GJZGRUSLSA-N 1 3 339.484 0.275 20 0 ECADHO CN(CCC(=O)N1CCN(C)CC1)CC[N@H+](C)C1CCN(C)CC1 ZINC000338279989 297253638 /nfs/dbraw/zinc/25/36/38/297253638.db2.gz CGBGRGDNPIBINC-UHFFFAOYSA-N 1 3 339.528 0.108 20 0 ECADHO CN(CCC(=O)N1CCN(C)CC1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000338279989 297253639 /nfs/dbraw/zinc/25/36/39/297253639.db2.gz CGBGRGDNPIBINC-UHFFFAOYSA-N 1 3 339.528 0.108 20 0 ECADHO CC[NH+](CC)CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000338532758 297276409 /nfs/dbraw/zinc/27/64/09/297276409.db2.gz VHIPASISUSYIPR-OAHLLOKOSA-N 1 3 341.500 0.570 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1N(C)C ZINC000339743846 297376741 /nfs/dbraw/zinc/37/67/41/297376741.db2.gz WQQXZCRAVTUTJZ-YOEHRIQHSA-N 1 3 346.475 0.773 20 0 ECADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CN(C(C)C)CCO2)CC1 ZINC000346302191 298254032 /nfs/dbraw/zinc/25/40/32/298254032.db2.gz BODYPDOHEUGKRU-DLBZAZTESA-N 1 3 340.512 0.485 20 0 ECADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000346547649 298291867 /nfs/dbraw/zinc/29/18/67/298291867.db2.gz STNZVLJXJKEKCZ-GDBMZVCRSA-N 1 3 338.496 0.632 20 0 ECADHO CCC[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N(C)C ZINC000353046671 299005855 /nfs/dbraw/zinc/00/58/55/299005855.db2.gz UVHAQJNEFUSVHS-BZUAXINKSA-N 1 3 338.496 0.824 20 0 ECADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000353084401 299009391 /nfs/dbraw/zinc/00/93/91/299009391.db2.gz OAHDNQVKYSMVIW-MRXNPFEDSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccn[nH]1 ZINC000360991380 300049342 /nfs/dbraw/zinc/04/93/42/300049342.db2.gz VGFPOUGLSITPHX-KFWWJZLASA-N 1 3 335.452 0.619 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccn[nH]1 ZINC000360991380 300049344 /nfs/dbraw/zinc/04/93/44/300049344.db2.gz VGFPOUGLSITPHX-KFWWJZLASA-N 1 3 335.452 0.619 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000362848576 300228087 /nfs/dbraw/zinc/22/80/87/300228087.db2.gz CEUQKVVOZRLJGM-NVXWUHKLSA-N 1 3 345.491 0.990 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000362848576 300228090 /nfs/dbraw/zinc/22/80/90/300228090.db2.gz CEUQKVVOZRLJGM-NVXWUHKLSA-N 1 3 345.491 0.990 20 0 ECADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@H]21 ZINC000363476327 300268035 /nfs/dbraw/zinc/26/80/35/300268035.db2.gz IPXGKLZOVRFIQM-YYIAUSFCSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@H]21 ZINC000363476327 300268039 /nfs/dbraw/zinc/26/80/39/300268039.db2.gz IPXGKLZOVRFIQM-YYIAUSFCSA-N 1 3 336.480 0.975 20 0 ECADHO COCC[NH+]1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000364218151 300337094 /nfs/dbraw/zinc/33/70/94/300337094.db2.gz WSYBTUDQWSMHMF-HDMKZQKVSA-N 1 3 339.480 0.746 20 0 ECADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000073437177 436079539 /nfs/dbraw/zinc/07/95/39/436079539.db2.gz RNVKUWVWOXPXMH-MRXNPFEDSA-N 1 3 327.517 0.901 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(CC[NH+](C)C)CC2)CC1=O ZINC000073643166 436085405 /nfs/dbraw/zinc/08/54/05/436085405.db2.gz WLYNEAVIWPPMBG-INIZCTEOSA-N 1 3 338.496 0.587 20 0 ECADHO C[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000074657071 436131636 /nfs/dbraw/zinc/13/16/36/436131636.db2.gz JVALAAOPTKKFIO-HOTGVXAUSA-N 1 3 325.501 0.606 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N2CCCC23CC[NH+](C)CC3)CC1=O ZINC000372442235 301002116 /nfs/dbraw/zinc/00/21/16/301002116.db2.gz KJFNEIHUMKHPDA-OAHLLOKOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000376197088 301241882 /nfs/dbraw/zinc/24/18/82/301241882.db2.gz NTWPSSWIXCUGPJ-OAGGEKHMSA-N 1 3 326.485 0.957 20 0 ECADHO CN(CCCN(C)[C@H]1CCN(c2ccn(C)n2)C1=O)CC[NH+](C)C ZINC000377531216 301356257 /nfs/dbraw/zinc/35/62/57/301356257.db2.gz ULCZJABGCQZAIQ-HNNXBMFYSA-N 1 3 336.484 0.341 20 0 ECADHO C[NH+](C)CCN1CCC(NC(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000079974457 436310097 /nfs/dbraw/zinc/31/00/97/436310097.db2.gz KBMLTAWHYASVRJ-UHFFFAOYSA-N 1 3 337.512 0.750 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000512448032 301605921 /nfs/dbraw/zinc/60/59/21/301605921.db2.gz PNQMRQJOIBVQFS-HRCADAONSA-N 1 3 325.501 0.604 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000517246626 301700176 /nfs/dbraw/zinc/70/01/76/301700176.db2.gz CCLBCVYXURAUMG-XHSDSOJGSA-N 1 3 338.496 0.951 20 0 ECADHO C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CN1CCOCC1 ZINC000524923384 301827688 /nfs/dbraw/zinc/82/76/88/301827688.db2.gz NPGCHXVZLUORSI-MRXNPFEDSA-N 1 3 343.516 0.090 20 0 ECADHO CNC(=O)[C@H]1CCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000536569659 302140540 /nfs/dbraw/zinc/14/05/40/302140540.db2.gz SXVVAIZBSNQEDJ-UONOGXRCSA-N 1 3 327.473 0.036 20 0 ECADHO Cc1nc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)o1 ZINC000538474612 302161036 /nfs/dbraw/zinc/16/10/36/302161036.db2.gz HXVRNAQWKGBSSV-UHFFFAOYSA-N 1 3 325.457 0.969 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000547297146 302253836 /nfs/dbraw/zinc/25/38/36/302253836.db2.gz YHDVZVCVOFUULG-IBGZPJMESA-N 1 3 346.475 0.451 20 0 ECADHO O=C(C[NH2+]CC1CC1)NCCCN1CCN(c2ccncc2)CC1 ZINC000269289078 436654127 /nfs/dbraw/zinc/65/41/27/436654127.db2.gz KCLDIHZCUZHDEJ-UHFFFAOYSA-N 1 3 331.464 0.710 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCC2CC[NH2+]CC2)CC1=O ZINC000120478680 436689100 /nfs/dbraw/zinc/68/91/00/436689100.db2.gz ZYHMWNDLYGVKJZ-CVEARBPZSA-N 1 3 336.480 0.435 20 0 ECADHO CCN1CCN(CCC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000120844687 436700485 /nfs/dbraw/zinc/70/04/85/436700485.db2.gz KNWCQWRJKDDMBD-UHFFFAOYSA-N 1 3 333.480 0.705 20 0 ECADHO CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000120231791 436681969 /nfs/dbraw/zinc/68/19/69/436681969.db2.gz FOYBUHGRDBIDRJ-MRXNPFEDSA-N 1 3 334.468 0.095 20 0 ECADHO CN(CCOCC[N@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000271396127 436686024 /nfs/dbraw/zinc/68/60/24/436686024.db2.gz WBJBPZLWLCJTRZ-UHFFFAOYSA-N 1 3 344.463 0.932 20 0 ECADHO CN(CCOCC[N@@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000271396127 436686027 /nfs/dbraw/zinc/68/60/27/436686027.db2.gz WBJBPZLWLCJTRZ-UHFFFAOYSA-N 1 3 344.463 0.932 20 0 ECADHO C[C@H](CNC(=O)[C@@H]1NCCc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000237443533 436736588 /nfs/dbraw/zinc/73/65/88/436736588.db2.gz VHCDEXTZRXDHJX-CRAIPNDOSA-N 1 3 330.476 0.873 20 0 ECADHO [NH3+]CCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000237851083 436746262 /nfs/dbraw/zinc/74/62/62/436746262.db2.gz IDGWOLXDNQYCHM-INIZCTEOSA-N 1 3 331.464 0.791 20 0 ECADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nnc2ccccn21 ZINC000153121249 436748820 /nfs/dbraw/zinc/74/88/20/436748820.db2.gz QMLDIUAUVSUOGK-AWEZNQCLSA-N 1 3 347.467 0.925 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCNC2=O)[C@@H](C)C1 ZINC000249282686 436817588 /nfs/dbraw/zinc/81/75/88/436817588.db2.gz LDUDYSNSIAFWAY-UONOGXRCSA-N 1 3 326.441 0.265 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000129454056 436826077 /nfs/dbraw/zinc/82/60/77/436826077.db2.gz IWPSFHZLYAZZKE-OAHLLOKOSA-N 1 3 325.501 0.606 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000163161295 436919211 /nfs/dbraw/zinc/91/92/11/436919211.db2.gz QTUUIFHRXWXWAW-INIZCTEOSA-N 1 3 326.485 0.959 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000163161295 436919215 /nfs/dbraw/zinc/91/92/15/436919215.db2.gz QTUUIFHRXWXWAW-INIZCTEOSA-N 1 3 326.485 0.959 20 0 ECADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000262343716 436926184 /nfs/dbraw/zinc/92/61/84/436926184.db2.gz GKJDMRRLAOHYSZ-MSOLQXFVSA-N 1 3 346.475 0.163 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000166455907 436937760 /nfs/dbraw/zinc/93/77/60/436937760.db2.gz MGRVSMNBTXFMIG-INIZCTEOSA-N 1 3 332.448 0.736 20 0 ECADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H](F)CN1 ZINC000275554047 436984282 /nfs/dbraw/zinc/98/42/82/436984282.db2.gz TYPQISWHPBFUFV-GOEBONIOSA-N 1 3 335.427 0.410 20 0 ECADHO O=C(NCCC[NH+]1CCCCC1)NCC1CCN(CCO)CC1 ZINC000171899114 436992020 /nfs/dbraw/zinc/99/20/20/436992020.db2.gz PYWIHIJCNSXRRP-UHFFFAOYSA-N 1 3 326.485 0.866 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCn1cccn1 ZINC000174950084 437093364 /nfs/dbraw/zinc/09/33/64/437093364.db2.gz JVYMUXNJECWQDW-INIZCTEOSA-N 1 3 336.484 0.941 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCn1cccn1 ZINC000174950084 437093367 /nfs/dbraw/zinc/09/33/67/437093367.db2.gz JVYMUXNJECWQDW-INIZCTEOSA-N 1 3 336.484 0.941 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331436062 437095519 /nfs/dbraw/zinc/09/55/19/437095519.db2.gz QXVPDVMSJYVUJG-QXSJWSMHSA-N 1 3 336.480 0.563 20 0 ECADHO [NH3+]CCN(CCO)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417113625 303380556 /nfs/dbraw/zinc/38/05/56/303380556.db2.gz NNIGRAZZMIJAKF-UHFFFAOYSA-N 1 3 330.498 0.311 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000331491761 437106248 /nfs/dbraw/zinc/10/62/48/437106248.db2.gz JQIXDSTYPCBTBE-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000331491761 437106253 /nfs/dbraw/zinc/10/62/53/437106253.db2.gz JQIXDSTYPCBTBE-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000177883016 437201729 /nfs/dbraw/zinc/20/17/29/437201729.db2.gz UAGDEQCPMSWFPV-SJORKVTESA-N 1 3 339.528 0.853 20 0 ECADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000177883016 437201735 /nfs/dbraw/zinc/20/17/35/437201735.db2.gz UAGDEQCPMSWFPV-SJORKVTESA-N 1 3 339.528 0.853 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1=CCN(C)CC1 ZINC000332053334 437202403 /nfs/dbraw/zinc/20/24/03/437202403.db2.gz UUXHGVRBAQILTQ-XIRDDKMYSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1=CCN(C)CC1 ZINC000332053334 437202408 /nfs/dbraw/zinc/20/24/08/437202408.db2.gz UUXHGVRBAQILTQ-XIRDDKMYSA-N 1 3 348.491 0.696 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([NH2+]C)CC2)CC1=O ZINC000179134515 437252627 /nfs/dbraw/zinc/25/26/27/437252627.db2.gz JRCYOMFNFXBNKU-GDBMZVCRSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000333548430 437274603 /nfs/dbraw/zinc/27/46/03/437274603.db2.gz JBWQQOUQXYCFQW-ILXRZTDVSA-N 1 3 332.452 0.901 20 0 ECADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000289491667 437415182 /nfs/dbraw/zinc/41/51/82/437415182.db2.gz ABWIHTNWKPCKPE-DLBZAZTESA-N 1 3 346.475 0.982 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)c(C)c2)CC1 ZINC000269244401 437474002 /nfs/dbraw/zinc/47/40/02/437474002.db2.gz CRIGQLAIJKUCDU-WBVHZDCISA-N 1 3 332.448 0.798 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000185827798 437453853 /nfs/dbraw/zinc/45/38/53/437453853.db2.gz XNJYQEMRNQRQBB-GJZGRUSLSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000185827798 437453856 /nfs/dbraw/zinc/45/38/56/437453856.db2.gz XNJYQEMRNQRQBB-GJZGRUSLSA-N 1 3 325.501 0.794 20 0 ECADHO CO[C@H](CN)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000290088083 437462078 /nfs/dbraw/zinc/46/20/78/437462078.db2.gz JGDAMPWUIBWBPX-IAGOWNOFSA-N 1 3 335.448 0.522 20 0 ECADHO CO[C@@H]1CN[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000187959095 437517387 /nfs/dbraw/zinc/51/73/87/437517387.db2.gz NOZBEMDMOUXOSY-LSDHHAIUSA-N 1 3 325.453 0.515 20 0 ECADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2(N3CCCCC3)CCOCC2)C1 ZINC000187959095 437517395 /nfs/dbraw/zinc/51/73/95/437517395.db2.gz NOZBEMDMOUXOSY-LSDHHAIUSA-N 1 3 325.453 0.515 20 0 ECADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC000187015145 437491464 /nfs/dbraw/zinc/49/14/64/437491464.db2.gz FZHRBIADOAZASG-HZSPNIEDSA-N 1 3 328.457 0.557 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCN(C)C)C[C@H]1C ZINC000360278725 437573191 /nfs/dbraw/zinc/57/31/91/437573191.db2.gz KSYCSWIFEOXHHG-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCN(C)C)C[C@H]1C ZINC000360278725 437573192 /nfs/dbraw/zinc/57/31/92/437573192.db2.gz KSYCSWIFEOXHHG-CABCVRRESA-N 1 3 342.484 0.012 20 0 ECADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000343424349 437580316 /nfs/dbraw/zinc/58/03/16/437580316.db2.gz IKTJOBSFUCSEMX-ZWKOTPCHSA-N 1 3 349.523 0.005 20 0 ECADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000343424349 437580319 /nfs/dbraw/zinc/58/03/19/437580319.db2.gz IKTJOBSFUCSEMX-ZWKOTPCHSA-N 1 3 349.523 0.005 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000343683197 437627277 /nfs/dbraw/zinc/62/72/77/437627277.db2.gz VBUPZACNNQXXIL-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340479975 437662151 /nfs/dbraw/zinc/66/21/51/437662151.db2.gz JAIYOHFPIRCFSF-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340479975 437662158 /nfs/dbraw/zinc/66/21/58/437662158.db2.gz JAIYOHFPIRCFSF-CVEARBPZSA-N 1 3 336.480 0.672 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340481890 437663074 /nfs/dbraw/zinc/66/30/74/437663074.db2.gz UTFKGJHGRMPNQZ-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340481890 437663082 /nfs/dbraw/zinc/66/30/82/437663082.db2.gz UTFKGJHGRMPNQZ-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340481891 437663703 /nfs/dbraw/zinc/66/37/03/437663703.db2.gz UTFKGJHGRMPNQZ-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340481891 437663710 /nfs/dbraw/zinc/66/37/10/437663710.db2.gz UTFKGJHGRMPNQZ-JYJNAYRXSA-N 1 3 336.480 0.530 20 0 ECADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340523901 437683094 /nfs/dbraw/zinc/68/30/94/437683094.db2.gz XCQNZAJBHKVDLQ-NVXWUHKLSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340523901 437683100 /nfs/dbraw/zinc/68/31/00/437683100.db2.gz XCQNZAJBHKVDLQ-NVXWUHKLSA-N 1 3 348.491 0.674 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000340519165 437683349 /nfs/dbraw/zinc/68/33/49/437683349.db2.gz VBTUJLXRVUINNA-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000340519165 437683356 /nfs/dbraw/zinc/68/33/56/437683356.db2.gz VBTUJLXRVUINNA-AWEZNQCLSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC2 ZINC000355254330 437692715 /nfs/dbraw/zinc/69/27/15/437692715.db2.gz NDCYWPNLCMUCRG-XHSDSOJGSA-N 1 3 338.496 0.917 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340817428 437743876 /nfs/dbraw/zinc/74/38/76/437743876.db2.gz IRAJHBCWDWRALT-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340817428 437743879 /nfs/dbraw/zinc/74/38/79/437743879.db2.gz IRAJHBCWDWRALT-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c(OCCN(C)C)c1 ZINC000415538163 437817976 /nfs/dbraw/zinc/81/79/76/437817976.db2.gz RAVKUNOZMDBIAA-AWEZNQCLSA-N 1 3 348.447 0.727 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000423742790 437820814 /nfs/dbraw/zinc/82/08/14/437820814.db2.gz ZJPIEXFDCRGEFE-INIZCTEOSA-N 1 3 332.448 0.623 20 0 ECADHO COC(=O)C1CCN(CCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423760300 437826577 /nfs/dbraw/zinc/82/65/77/437826577.db2.gz QFMFAWPPXOAFPJ-HIFRSBDPSA-N 1 3 327.469 0.997 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423775137 437828818 /nfs/dbraw/zinc/82/88/18/437828818.db2.gz LYMSLWJHUBODDX-GOEBONIOSA-N 1 3 342.447 0.877 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000370461141 437786982 /nfs/dbraw/zinc/78/69/82/437786982.db2.gz CXCSVSKIHGXWCU-NXHRZFHOSA-N 1 3 349.523 0.891 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000370461141 437786987 /nfs/dbraw/zinc/78/69/87/437786987.db2.gz CXCSVSKIHGXWCU-NXHRZFHOSA-N 1 3 349.523 0.891 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000370480134 437791512 /nfs/dbraw/zinc/79/15/12/437791512.db2.gz NRNIEQSOIDJECN-QGZVFWFLSA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)N1CCN([C@@H]2CCN(C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000370480134 437791517 /nfs/dbraw/zinc/79/15/17/437791517.db2.gz NRNIEQSOIDJECN-QGZVFWFLSA-N 1 3 337.512 0.891 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])ccc1OCCN(C)C ZINC000415485767 437809964 /nfs/dbraw/zinc/80/99/64/437809964.db2.gz OVJNBANMDIGPRT-OAHLLOKOSA-N 1 3 348.447 0.824 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000415485984 437811064 /nfs/dbraw/zinc/81/10/64/437811064.db2.gz DXBWVHRALUFVTQ-HNNXBMFYSA-N 1 3 348.447 0.776 20 0 ECADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N(C)CCN ZINC000415875138 437875776 /nfs/dbraw/zinc/87/57/76/437875776.db2.gz CGRJKVZVHMOXIW-UHFFFAOYSA-N 1 3 336.436 0.763 20 0 ECADHO Cc1cc(NC(=O)C(=O)N2CCOC3(CNC3)C2)ccc1C[NH+](C)C ZINC000415898976 437878013 /nfs/dbraw/zinc/87/80/13/437878013.db2.gz UHNDCFGHVDBSSM-UHFFFAOYSA-N 1 3 346.431 0.196 20 0 ECADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000356802215 437839226 /nfs/dbraw/zinc/83/92/26/437839226.db2.gz ZBFNZDGMKATAFV-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000356802215 437839229 /nfs/dbraw/zinc/83/92/29/437839229.db2.gz ZBFNZDGMKATAFV-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000341950557 437931147 /nfs/dbraw/zinc/93/11/47/437931147.db2.gz IMXGTFNTHWDPPF-KURKYZTESA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000357023405 437890440 /nfs/dbraw/zinc/89/04/40/437890440.db2.gz IJSKHZDORISYOG-MQVJKMGUSA-N 1 3 338.496 0.917 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000357023405 437890445 /nfs/dbraw/zinc/89/04/45/437890445.db2.gz IJSKHZDORISYOG-MQVJKMGUSA-N 1 3 338.496 0.917 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)[C@@H](CN)c3ccc(F)cc3)C[C@H]2[NH3+])cn1 ZINC000424228743 437907561 /nfs/dbraw/zinc/90/75/61/437907561.db2.gz UOMBEYBIKLVBLL-HRCADAONSA-N 1 3 331.395 0.555 20 0 ECADHO [NH3+]CCCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424523532 437965554 /nfs/dbraw/zinc/96/55/54/437965554.db2.gz OOYCFCWFNFDPKN-JKSUJKDBSA-N 1 3 330.432 0.184 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000371657578 437972216 /nfs/dbraw/zinc/97/22/16/437972216.db2.gz IBFSZJJUTMMGCI-FUHWJXTLSA-N 1 3 349.523 0.892 20 0 ECADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000371657578 437972223 /nfs/dbraw/zinc/97/22/23/437972223.db2.gz IBFSZJJUTMMGCI-FUHWJXTLSA-N 1 3 349.523 0.892 20 0 ECADHO CC1CCN(CCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417008117 438012791 /nfs/dbraw/zinc/01/27/91/438012791.db2.gz IFKMXGQMEWTOCB-HNNXBMFYSA-N 1 3 339.484 0.215 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425406600 438023519 /nfs/dbraw/zinc/02/35/19/438023519.db2.gz TZLKLAFRWZNTCA-VVLHAWIVSA-N 1 3 348.491 0.624 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425406600 438023522 /nfs/dbraw/zinc/02/35/22/438023522.db2.gz TZLKLAFRWZNTCA-VVLHAWIVSA-N 1 3 348.491 0.624 20 0 ECADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000357625738 438028812 /nfs/dbraw/zinc/02/88/12/438028812.db2.gz JJSUDLWIDUJFTH-GDBMZVCRSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000366192755 438034131 /nfs/dbraw/zinc/03/41/31/438034131.db2.gz WVCRLRUTSJXYMA-KRWDZBQOSA-N 1 3 338.496 0.384 20 0 ECADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000366192755 438034133 /nfs/dbraw/zinc/03/41/33/438034133.db2.gz WVCRLRUTSJXYMA-KRWDZBQOSA-N 1 3 338.496 0.384 20 0 ECADHO C[C@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCN1 ZINC000417398671 438047086 /nfs/dbraw/zinc/04/70/86/438047086.db2.gz ZALKRLJHTFZLBX-INIZCTEOSA-N 1 3 346.479 0.597 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCN1C ZINC000348003642 437997656 /nfs/dbraw/zinc/99/76/56/437997656.db2.gz HXKHQVMPECYOAH-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C=C[C@@H](CO)C3)CC2)CC1 ZINC000357856636 438083329 /nfs/dbraw/zinc/08/33/29/438083329.db2.gz STWKGANETXKQIN-ZBFHGGJFSA-N 1 3 336.480 0.781 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)C1=CCN(C)CC1 ZINC000348767596 438097854 /nfs/dbraw/zinc/09/78/54/438097854.db2.gz WZTLUMCIMBANEU-CQSZACIVSA-N 1 3 336.480 0.696 20 0 ECADHO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)N(C)Cc1ccccc1 ZINC000417577772 438060779 /nfs/dbraw/zinc/06/07/79/438060779.db2.gz KCXVFRDDHUPIKV-WBVHZDCISA-N 1 3 333.480 0.710 20 0 ECADHO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H](c1ccccc1)N(C)C ZINC000418189267 438117958 /nfs/dbraw/zinc/11/79/58/438117958.db2.gz VGMIJYKSJQJVNQ-BHYGNILZSA-N 1 3 333.480 0.881 20 0 ECADHO C[C@@H]1NCCN(C(=O)NCc2ccncc2OCC[NH+](C)C)[C@H]1C ZINC000418201167 438119435 /nfs/dbraw/zinc/11/94/35/438119435.db2.gz ZQHJTKFDUINAOW-KBPBESRZSA-N 1 3 335.452 0.914 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000418394494 438140042 /nfs/dbraw/zinc/14/00/42/438140042.db2.gz ZLNQVDORHFSNKR-UHFFFAOYSA-N 1 3 339.484 0.452 20 0 ECADHO O=C(C[C@@H]1CCC[NH2+]1)NCCCN1CCN(c2ccncc2)CC1 ZINC000431028746 438141817 /nfs/dbraw/zinc/14/18/17/438141817.db2.gz TYNNAFXQKOTBHP-INIZCTEOSA-N 1 3 331.464 0.852 20 0 ECADHO N[C@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000418446195 438146911 /nfs/dbraw/zinc/14/69/11/438146911.db2.gz HSWXCPQSJUNUFL-JKSUJKDBSA-N 1 3 347.463 0.716 20 0 ECADHO C[C@H](O)COC(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373897816 438174714 /nfs/dbraw/zinc/17/47/14/438174714.db2.gz CXUSOPRAVIFIIY-OWCLPIDISA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H](O)COC(=O)CC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000373897816 438174719 /nfs/dbraw/zinc/17/47/19/438174719.db2.gz CXUSOPRAVIFIIY-OWCLPIDISA-N 1 3 327.469 0.258 20 0 ECADHO C[C@H](O)COC(=O)CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000373897816 438174724 /nfs/dbraw/zinc/17/47/24/438174724.db2.gz CXUSOPRAVIFIIY-OWCLPIDISA-N 1 3 327.469 0.258 20 0 ECADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418689981 438175071 /nfs/dbraw/zinc/17/50/71/438175071.db2.gz VVRISKAZVVTJJP-OKZBNKHCSA-N 1 3 346.475 0.888 20 0 ECADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418798358 438192107 /nfs/dbraw/zinc/19/21/07/438192107.db2.gz VJZROMRMBHDMTH-CABCVRRESA-N 1 3 328.457 0.117 20 0 ECADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418498499 438151653 /nfs/dbraw/zinc/15/16/53/438151653.db2.gz MJHSDHHNZNKRPJ-INIZCTEOSA-N 1 3 325.501 0.783 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000418547664 438158695 /nfs/dbraw/zinc/15/86/95/438158695.db2.gz JLVLFOXBBAMZNG-OAHLLOKOSA-N 1 3 339.484 0.324 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(=O)NCCN(C)C ZINC000418584089 438161795 /nfs/dbraw/zinc/16/17/95/438161795.db2.gz XGNZWQAVSWIGJM-ILXRZTDVSA-N 1 3 341.500 0.376 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418592261 438164392 /nfs/dbraw/zinc/16/43/92/438164392.db2.gz VBXCIRWIKWYMGR-HUUCEWRRSA-N 1 3 339.484 0.452 20 0 ECADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418608911 438166378 /nfs/dbraw/zinc/16/63/78/438166378.db2.gz ZKBSGKJWQINJSS-QAPCUYQASA-N 1 3 334.464 0.921 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000418850043 438216090 /nfs/dbraw/zinc/21/60/90/438216090.db2.gz NMFJWNFALVYSKO-BBWFWOEESA-N 1 3 346.475 0.662 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418851046 438216838 /nfs/dbraw/zinc/21/68/38/438216838.db2.gz OVPNOHXWPIYSLN-MRXNPFEDSA-N 1 3 348.491 0.909 20 0 ECADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000418853792 438218657 /nfs/dbraw/zinc/21/86/57/438218657.db2.gz AOGVVXQUSUAVGX-KGLIPLIRSA-N 1 3 326.485 0.714 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N3CCO[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000374608044 438220534 /nfs/dbraw/zinc/22/05/34/438220534.db2.gz ZHFBQHJCLWJWGN-MSOLQXFVSA-N 1 3 344.459 0.641 20 0 ECADHO CC(C)[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)N1CCOCC1 ZINC000433117221 438224571 /nfs/dbraw/zinc/22/45/71/438224571.db2.gz OEACLZUFTFDHAB-QGZVFWFLSA-N 1 3 340.512 0.663 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418879159 438231631 /nfs/dbraw/zinc/23/16/31/438231631.db2.gz SGPYPAXXRSOQCY-IRXDYDNUSA-N 1 3 346.475 0.391 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000418879829 438234814 /nfs/dbraw/zinc/23/48/14/438234814.db2.gz UIOWCQBVGLYIFQ-HZPDHXFCSA-N 1 3 332.448 0.096 20 0 ECADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000418909475 438243960 /nfs/dbraw/zinc/24/39/60/438243960.db2.gz JETGFLQHUXKZNO-OCCSQVGLSA-N 1 3 340.468 0.206 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418829302 438204977 /nfs/dbraw/zinc/20/49/77/438204977.db2.gz DLYDNGINJDKNBJ-CVEARBPZSA-N 1 3 332.448 0.083 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000418832301 438205405 /nfs/dbraw/zinc/20/54/05/438205405.db2.gz JWODFDJZJNULHJ-OCCSQVGLSA-N 1 3 340.468 0.205 20 0 ECADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000418836388 438205982 /nfs/dbraw/zinc/20/59/82/438205982.db2.gz PMJGZMXUAXOEFZ-AWEZNQCLSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@H](NC(=O)C(=O)NCC(C)(C)N1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418843403 438210551 /nfs/dbraw/zinc/21/05/51/438210551.db2.gz RUPCREHWMJQDBV-GJZGRUSLSA-N 1 3 338.496 0.871 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418842259 438211243 /nfs/dbraw/zinc/21/12/43/438211243.db2.gz BEARIUMEKLRAFP-ZACQAIPSSA-N 1 3 344.459 0.096 20 0 ECADHO CN(C)Cc1ccc(S(=O)(=O)NCCOCC[NH+](C)C)cc1 ZINC000433872702 438267283 /nfs/dbraw/zinc/26/72/83/438267283.db2.gz ACNSMHBZURBNPR-UHFFFAOYSA-N 1 3 329.466 0.605 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000358656995 438273772 /nfs/dbraw/zinc/27/37/72/438273772.db2.gz DEIGAFZRVVTZBA-SFHVURJKSA-N 1 3 334.464 0.874 20 0 ECADHO CN1CC[C@](O)(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000358656995 438273775 /nfs/dbraw/zinc/27/37/75/438273775.db2.gz DEIGAFZRVVTZBA-SFHVURJKSA-N 1 3 334.464 0.874 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419021517 438292147 /nfs/dbraw/zinc/29/21/47/438292147.db2.gz HABPNXRBQCYRLA-IIAWOOMASA-N 1 3 338.496 0.857 20 0 ECADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000376829866 438294904 /nfs/dbraw/zinc/29/49/04/438294904.db2.gz LFSGOLQISYZKHS-CABCVRRESA-N 1 3 334.468 1.535 20 0 ECADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)C1 ZINC000419123834 438332246 /nfs/dbraw/zinc/33/22/46/438332246.db2.gz QFSCULAPPOVXEC-JKSUJKDBSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000419074894 438311685 /nfs/dbraw/zinc/31/16/85/438311685.db2.gz FKENZFQIABJQLC-CVEARBPZSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419080907 438313513 /nfs/dbraw/zinc/31/35/13/438313513.db2.gz QODNSQACMIYMLH-LSDHHAIUSA-N 1 3 326.485 0.857 20 0 ECADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000358843633 438314313 /nfs/dbraw/zinc/31/43/13/438314313.db2.gz CEXZVEIYFMWHSS-UONOGXRCSA-N 1 3 326.485 0.679 20 0 ECADHO C[C@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000358864145 438318218 /nfs/dbraw/zinc/31/82/18/438318218.db2.gz JWDFEOMPCYNDLW-PBHICJAKSA-N 1 3 336.455 0.868 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000419162887 438348690 /nfs/dbraw/zinc/34/86/90/438348690.db2.gz VOEANTCUJFGUKZ-BZUAXINKSA-N 1 3 338.496 0.809 20 0 ECADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419431639 438358219 /nfs/dbraw/zinc/35/82/19/438358219.db2.gz XMDMSFOAXQNUGB-OAHLLOKOSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419678181 438366569 /nfs/dbraw/zinc/36/65/69/438366569.db2.gz OKDCXHJGCJTGEV-OAHLLOKOSA-N 1 3 338.496 0.860 20 0 ECADHO C[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1CN ZINC000419772475 438372628 /nfs/dbraw/zinc/37/26/28/438372628.db2.gz HXEITPNSTLSXBV-BBRMVZONSA-N 1 3 336.480 0.563 20 0 ECADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000352096503 438382326 /nfs/dbraw/zinc/38/23/26/438382326.db2.gz GYQIAJHRVWQING-DOTOQJQBSA-N 1 3 340.512 0.959 20 0 ECADHO CN(C)CCN1CCC([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352102275 438382531 /nfs/dbraw/zinc/38/25/31/438382531.db2.gz KXLXVUVCLDANEM-CVEARBPZSA-N 1 3 331.526 0.958 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCC1 ZINC000420059547 438384787 /nfs/dbraw/zinc/38/47/87/438384787.db2.gz GHMQDLYCRRYRKQ-CVEARBPZSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N[C@H](CN)C1CCCC1)C[NH+]1CCCCC1 ZINC000420073388 438384804 /nfs/dbraw/zinc/38/48/04/438384804.db2.gz ORCBKFGTJFJUPN-GOEBONIOSA-N 1 3 338.496 0.858 20 0 ECADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000420059075 438386309 /nfs/dbraw/zinc/38/63/09/438386309.db2.gz KGGBDQGRUUXWON-ZIAGYGMSSA-N 1 3 340.468 0.160 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CC[NH2+]1 ZINC000420115427 438387737 /nfs/dbraw/zinc/38/77/37/438387737.db2.gz GPQZRYVFKMYZFQ-PMPSAXMXSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1C ZINC000359450896 438437416 /nfs/dbraw/zinc/43/74/16/438437416.db2.gz ZCUCFJPHAFOHFU-PRLABOORSA-N 1 3 338.496 0.822 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000359459047 438440042 /nfs/dbraw/zinc/44/00/42/438440042.db2.gz DUHRKSBTKFMBGT-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000359459047 438440043 /nfs/dbraw/zinc/44/00/43/438440043.db2.gz DUHRKSBTKFMBGT-HZPDHXFCSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000359325832 438411527 /nfs/dbraw/zinc/41/15/27/438411527.db2.gz TZKHGEIWRWELQV-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CCN(CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000359325832 438411531 /nfs/dbraw/zinc/41/15/31/438411531.db2.gz TZKHGEIWRWELQV-HNNXBMFYSA-N 1 3 338.496 0.920 20 0 ECADHO CN(Cc1ccccc1C[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352816576 438479659 /nfs/dbraw/zinc/47/96/59/438479659.db2.gz PKNKDDMKDFPPLL-TVFCKZIOSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccccc1C[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352816576 438479664 /nfs/dbraw/zinc/47/96/64/438479664.db2.gz PKNKDDMKDFPPLL-TVFCKZIOSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccccc1C[N@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@H]1O ZINC000352816576 438479666 /nfs/dbraw/zinc/47/96/66/438479666.db2.gz PKNKDDMKDFPPLL-TVFCKZIOSA-N 1 3 336.432 0.070 20 0 ECADHO CN(Cc1ccccc1C[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@H]1O ZINC000352816576 438479670 /nfs/dbraw/zinc/47/96/70/438479670.db2.gz PKNKDDMKDFPPLL-TVFCKZIOSA-N 1 3 336.432 0.070 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000421504923 438490090 /nfs/dbraw/zinc/49/00/90/438490090.db2.gz BHDZKYALMPFNMG-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000421504923 438490095 /nfs/dbraw/zinc/49/00/95/438490095.db2.gz BHDZKYALMPFNMG-MRXNPFEDSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000421522815 438490683 /nfs/dbraw/zinc/49/06/83/438490683.db2.gz SJQLLYGUXBFWTH-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000421522815 438490686 /nfs/dbraw/zinc/49/06/86/438490686.db2.gz SJQLLYGUXBFWTH-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000369362228 438459842 /nfs/dbraw/zinc/45/98/42/438459842.db2.gz DTHCMYAWKICKPT-INIZCTEOSA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000369362228 438459845 /nfs/dbraw/zinc/45/98/45/438459845.db2.gz DTHCMYAWKICKPT-INIZCTEOSA-N 1 3 337.512 0.891 20 0 ECADHO CC(C)N1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000369362228 438459850 /nfs/dbraw/zinc/45/98/50/438459850.db2.gz DTHCMYAWKICKPT-INIZCTEOSA-N 1 3 337.512 0.891 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000422117158 438522581 /nfs/dbraw/zinc/52/25/81/438522581.db2.gz OUEXFMSMCYGBQN-CRAIPNDOSA-N 1 3 336.480 0.483 20 0 ECADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000422117158 438522585 /nfs/dbraw/zinc/52/25/85/438522585.db2.gz OUEXFMSMCYGBQN-CRAIPNDOSA-N 1 3 336.480 0.483 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)CNCC(F)(F)F)CC2)CC1 ZINC000353738455 438529689 /nfs/dbraw/zinc/52/96/89/438529689.db2.gz AMFJAJAFNGNVOX-UHFFFAOYSA-N 1 3 336.402 0.813 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000422297551 438548001 /nfs/dbraw/zinc/54/80/01/438548001.db2.gz QIRNMPVJIFBMFF-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000422297551 438548005 /nfs/dbraw/zinc/54/80/05/438548005.db2.gz QIRNMPVJIFBMFF-MRXNPFEDSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000422317467 438550794 /nfs/dbraw/zinc/55/07/94/438550794.db2.gz GAEYWLLHZATTNR-OAGGEKHMSA-N 1 3 338.496 0.917 20 0 ECADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[C@H](N(C)C)C1)C(C)C ZINC000410492916 438592237 /nfs/dbraw/zinc/59/22/37/438592237.db2.gz ZLLRIZMWVJMVAX-HNNXBMFYSA-N 1 3 326.485 0.726 20 0 ECADHO C[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CCCN1C)C(C)(C)C[NH+](C)C ZINC000422351492 438556453 /nfs/dbraw/zinc/55/64/53/438556453.db2.gz CIUWIXAOOVTADD-KGLIPLIRSA-N 1 3 326.485 0.632 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000423057753 438633774 /nfs/dbraw/zinc/63/37/74/438633774.db2.gz AOKOYFPSZIQNNT-UHFFFAOYSA-N 1 3 340.512 0.881 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423149390 438642984 /nfs/dbraw/zinc/64/29/84/438642984.db2.gz HPEZVVJHBAAITH-HOTGVXAUSA-N 1 3 336.480 0.661 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423150914 438643140 /nfs/dbraw/zinc/64/31/40/438643140.db2.gz JFGVEBVGPDOHFB-HOTGVXAUSA-N 1 3 338.496 0.905 20 0 ECADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000423167022 438645523 /nfs/dbraw/zinc/64/55/23/438645523.db2.gz RTLVRZUVEZYPBO-UHFFFAOYSA-N 1 3 338.427 0.394 20 0 ECADHO CNS(=O)(=O)c1cccc([C@H](C)NCCN2CC[NH2+]CC2)c1 ZINC000423201963 438648718 /nfs/dbraw/zinc/64/87/18/438648718.db2.gz JTWNRZDFMFHNKP-ZDUSSCGKSA-N 1 3 326.466 0.151 20 0 ECADHO O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423227775 438649771 /nfs/dbraw/zinc/64/97/71/438649771.db2.gz WYJZNEUBEPNBOY-IKGGRYGDSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(C(=O)N1CCCC[C@@H](N2CCCC2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423228403 438650569 /nfs/dbraw/zinc/65/05/69/438650569.db2.gz ZLULHGJPJYLKOP-VQIMIIECSA-N 1 3 348.491 0.675 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423237616 438651132 /nfs/dbraw/zinc/65/11/32/438651132.db2.gz QBJPFCFEAQJXLM-YESZJQIVSA-N 1 3 344.459 0.492 20 0 ECADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422822952 438609680 /nfs/dbraw/zinc/60/96/80/438609680.db2.gz CALUSEKHUROHFQ-SJORKVTESA-N 1 3 332.496 0.966 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000423414455 438673534 /nfs/dbraw/zinc/67/35/34/438673534.db2.gz MYNHASXSHIZPMC-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CO[C@@H](C[NH3+])CC(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000447444683 438676294 /nfs/dbraw/zinc/67/62/94/438676294.db2.gz XIVNZQUMLIRQOZ-LSDHHAIUSA-N 1 3 348.447 0.686 20 0 ECADHO COC[C@]1(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]C1 ZINC000423433876 438676756 /nfs/dbraw/zinc/67/67/56/438676756.db2.gz XKYQMGNOPPSZRT-SFHVURJKSA-N 1 3 331.460 0.828 20 0 ECADHO COC(=O)C(C)(C)CC[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414483518 438706808 /nfs/dbraw/zinc/70/68/08/438706808.db2.gz MZRRWRNVJBOKRA-UHFFFAOYSA-N 1 3 341.496 0.962 20 0 ECADHO C[C@@H](CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1)[NH+](C)C ZINC000454432926 438717610 /nfs/dbraw/zinc/71/76/10/438717610.db2.gz DMELFZUEPUPANJ-AWEZNQCLSA-N 1 3 349.479 0.727 20 0 ECADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574771271 438720725 /nfs/dbraw/zinc/72/07/25/438720725.db2.gz RKXAWIFKWVFNQN-KFWWJZLASA-N 1 3 337.468 0.204 20 0 ECADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574771271 438720729 /nfs/dbraw/zinc/72/07/29/438720729.db2.gz RKXAWIFKWVFNQN-KFWWJZLASA-N 1 3 337.468 0.204 20 0 ECADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000414916930 438721365 /nfs/dbraw/zinc/72/13/65/438721365.db2.gz UNXJRJJUVFAMMJ-HNNXBMFYSA-N 1 3 346.431 0.660 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CCC1 ZINC000415090579 438730806 /nfs/dbraw/zinc/73/08/06/438730806.db2.gz YBRMFPOEKINZKB-UHFFFAOYSA-N 1 3 334.420 0.563 20 0 ECADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000553345871 438750096 /nfs/dbraw/zinc/75/00/96/438750096.db2.gz QRXVPSSWAFDSMO-RDJZCZTQSA-N 1 3 348.491 0.816 20 0 ECADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000553345871 438750098 /nfs/dbraw/zinc/75/00/98/438750098.db2.gz QRXVPSSWAFDSMO-RDJZCZTQSA-N 1 3 348.491 0.816 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccn1 ZINC000557186148 438795612 /nfs/dbraw/zinc/79/56/12/438795612.db2.gz NLNKOSCVLPWCSO-HOTGVXAUSA-N 1 3 347.463 0.915 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000576036548 438766134 /nfs/dbraw/zinc/76/61/34/438766134.db2.gz WUHQDBMWBRSQSS-CVEARBPZSA-N 1 3 338.496 0.907 20 0 ECADHO C[NH+](C)C[C@@H](O)CNC[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000497216265 438780352 /nfs/dbraw/zinc/78/03/52/438780352.db2.gz VLJYOSFDIKWCDH-YOEHRIQHSA-N 1 3 345.484 0.651 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000576450642 438782980 /nfs/dbraw/zinc/78/29/80/438782980.db2.gz IVSMEEPGJSQXDA-UHFFFAOYSA-N 1 3 337.468 0.102 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)C1 ZINC000576445429 438783326 /nfs/dbraw/zinc/78/33/26/438783326.db2.gz NTOMAUSDFSSPQL-YJBOKZPZSA-N 1 3 334.464 0.237 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)C1 ZINC000576445429 438783329 /nfs/dbraw/zinc/78/33/29/438783329.db2.gz NTOMAUSDFSSPQL-YJBOKZPZSA-N 1 3 334.464 0.237 20 0 ECADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000514616446 438818338 /nfs/dbraw/zinc/81/83/38/438818338.db2.gz OZYABBDXPCCUIA-MGPQQGTHSA-N 1 3 325.457 0.060 20 0 ECADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000514616446 438818341 /nfs/dbraw/zinc/81/83/41/438818341.db2.gz OZYABBDXPCCUIA-MGPQQGTHSA-N 1 3 325.457 0.060 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000515224500 438855216 /nfs/dbraw/zinc/85/52/16/438855216.db2.gz MONIMUKWRLGEHU-HHARLNAUSA-N 1 3 348.491 0.576 20 0 ECADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000564956370 438895145 /nfs/dbraw/zinc/89/51/45/438895145.db2.gz JTTHEMSNLYYZFZ-CVEARBPZSA-N 1 3 328.420 0.470 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000564956370 438895150 /nfs/dbraw/zinc/89/51/50/438895150.db2.gz JTTHEMSNLYYZFZ-CVEARBPZSA-N 1 3 328.420 0.470 20 0 ECADHO CCOC(=O)C1CCC(O)(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000564974174 438896687 /nfs/dbraw/zinc/89/66/87/438896687.db2.gz CFWXWEZDSQBQKY-ISXOHVOVSA-N 1 3 328.453 0.517 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000578174461 438904165 /nfs/dbraw/zinc/90/41/65/438904165.db2.gz DABVHHOUDMSQSZ-OAHLLOKOSA-N 1 3 326.485 0.727 20 0 ECADHO C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000458288061 438868883 /nfs/dbraw/zinc/86/88/83/438868883.db2.gz PUVPIQRHVOWYMO-INIZCTEOSA-N 1 3 326.485 0.864 20 0 ECADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(C2CCOCC2)CC1 ZINC000515487328 438869093 /nfs/dbraw/zinc/86/90/93/438869093.db2.gz HINQWNGMLGOFIA-OALUTQOASA-N 1 3 333.476 0.714 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000577856817 438875452 /nfs/dbraw/zinc/87/54/52/438875452.db2.gz KINIAMGWQIWQDS-DMRKSPOLSA-N 1 3 348.491 0.657 20 0 ECADHO CC(C)[C@H](C(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@@H](C)[NH3+] ZINC000515839629 438880400 /nfs/dbraw/zinc/88/04/00/438880400.db2.gz MCEDYCGAMGOMMR-CJNGLKHVSA-N 1 3 326.485 0.665 20 0 ECADHO CC(C)(CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C[NH+]1CCCC1 ZINC000516879100 438932909 /nfs/dbraw/zinc/93/29/09/438932909.db2.gz LZRXXTGQJWLTJI-KGLIPLIRSA-N 1 3 337.468 0.062 20 0 ECADHO O[C@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)Cn1cccn1 ZINC000579223833 438990307 /nfs/dbraw/zinc/99/03/07/438990307.db2.gz XFUBLWBVSJHHKS-ZWKOTPCHSA-N 1 3 330.432 0.600 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C(N)=O)CC2)CC1 ZINC000566439953 439052090 /nfs/dbraw/zinc/05/20/90/439052090.db2.gz SRWPZDCELFKMSD-UHFFFAOYSA-N 1 3 338.496 0.810 20 0 ECADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1CCCNCC1 ZINC000519754919 439059704 /nfs/dbraw/zinc/05/97/04/439059704.db2.gz GIKHGOKPGTVJIS-INIZCTEOSA-N 1 3 336.480 0.722 20 0 ECADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCCNCC1 ZINC000519754919 439059705 /nfs/dbraw/zinc/05/97/05/439059705.db2.gz GIKHGOKPGTVJIS-INIZCTEOSA-N 1 3 336.480 0.722 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000591571328 439023767 /nfs/dbraw/zinc/02/37/67/439023767.db2.gz JJZIYRUEKVUKGZ-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000591571328 439023769 /nfs/dbraw/zinc/02/37/69/439023769.db2.gz JJZIYRUEKVUKGZ-OAHLLOKOSA-N 1 3 325.501 0.748 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000579607482 439024982 /nfs/dbraw/zinc/02/49/82/439024982.db2.gz LQHZCIPQRSZRBE-KLHDSHLOSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H]1CCN(C)CCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000579689815 439030295 /nfs/dbraw/zinc/03/02/95/439030295.db2.gz DTOKZAAUGFWVCX-GTPINHCMSA-N 1 3 337.512 0.938 20 0 ECADHO CC(C)CN1CCCC[C@H]1C[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000580435221 439091098 /nfs/dbraw/zinc/09/10/98/439091098.db2.gz PZGZFXHLYRRAAW-ROUUACIJSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC[C@H](O)CN1CCN(C)CC1 ZINC000580435221 439091103 /nfs/dbraw/zinc/09/11/03/439091103.db2.gz PZGZFXHLYRRAAW-ROUUACIJSA-N 1 3 326.529 0.695 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@H]1CNC[C@H](O)CN1CCN(C)CC1 ZINC000580435221 439091108 /nfs/dbraw/zinc/09/11/08/439091108.db2.gz PZGZFXHLYRRAAW-ROUUACIJSA-N 1 3 326.529 0.695 20 0 ECADHO C[NH2+]CCCNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000580451356 439094878 /nfs/dbraw/zinc/09/48/78/439094878.db2.gz DRVAFINERGCUEH-KRWDZBQOSA-N 1 3 346.475 0.488 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)c1 ZINC000602476667 439096318 /nfs/dbraw/zinc/09/63/18/439096318.db2.gz UEBSWFQEZLZAOO-QHCPKHFHSA-N 1 3 337.489 0.865 20 0 ECADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566963925 439101598 /nfs/dbraw/zinc/10/15/98/439101598.db2.gz YEWKQWAYORPHPU-HNAYVOBHSA-N 1 3 348.491 0.722 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCC(C)CC1 ZINC000520377586 439081620 /nfs/dbraw/zinc/08/16/20/439081620.db2.gz XRLHWESNZCXRLY-YJBOKZPZSA-N 1 3 336.480 0.435 20 0 ECADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000567732662 439171048 /nfs/dbraw/zinc/17/10/48/439171048.db2.gz LHSXNEOZEBHCHD-MRXNPFEDSA-N 1 3 332.448 0.675 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000567246950 439125301 /nfs/dbraw/zinc/12/53/01/439125301.db2.gz AHTPQXZGFJVILG-BPQIPLTHSA-N 1 3 345.491 0.710 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567455471 439143888 /nfs/dbraw/zinc/14/38/88/439143888.db2.gz SQUONRPVZDRMIA-GXTWGEPZSA-N 1 3 346.422 0.878 20 0 ECADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000567522198 439150674 /nfs/dbraw/zinc/15/06/74/439150674.db2.gz IOVAWOKESPPODT-RBSFLKMASA-N 1 3 337.468 0.204 20 0 ECADHO COC(=O)C[C@@H](C)N1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000592197720 439177252 /nfs/dbraw/zinc/17/72/52/439177252.db2.gz IGFWUPIVAJIOGB-OLZOCXBDSA-N 1 3 349.435 0.196 20 0 ECADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000581190355 439181863 /nfs/dbraw/zinc/18/18/63/439181863.db2.gz XTBNAZONQUGZSY-ZACQAIPSSA-N 1 3 332.448 0.868 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCc1ccncc1 ZINC000581296455 439194414 /nfs/dbraw/zinc/19/44/14/439194414.db2.gz KRDZTQJINPWCPK-UHFFFAOYSA-N 1 3 349.479 0.034 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000568153362 439214699 /nfs/dbraw/zinc/21/46/99/439214699.db2.gz CEKKPKUTGBQUER-UHFFFAOYSA-N 1 3 346.475 0.860 20 0 ECADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1 ZINC000568286795 439235088 /nfs/dbraw/zinc/23/50/88/439235088.db2.gz GTOXBFRNVALPPT-HRCADAONSA-N 1 3 345.447 0.243 20 0 ECADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)C(=O)NC1CNC1 ZINC000569323794 439322673 /nfs/dbraw/zinc/32/26/73/439322673.db2.gz WBUPAHKNIWXAIP-UHFFFAOYSA-N 1 3 344.459 0.767 20 0 ECADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000582087823 439290091 /nfs/dbraw/zinc/29/00/91/439290091.db2.gz BXUBJVYMCHDSFW-DIECFANBSA-N 1 3 348.491 0.813 20 0 ECADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000582087823 439290099 /nfs/dbraw/zinc/29/00/99/439290099.db2.gz BXUBJVYMCHDSFW-DIECFANBSA-N 1 3 348.491 0.813 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000604166465 439297877 /nfs/dbraw/zinc/29/78/77/439297877.db2.gz XDDXSZFDUAAMJG-WBVHZDCISA-N 1 3 337.512 0.794 20 0 ECADHO CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000604166465 439297883 /nfs/dbraw/zinc/29/78/83/439297883.db2.gz XDDXSZFDUAAMJG-WBVHZDCISA-N 1 3 337.512 0.794 20 0 ECADHO CC(C)[C@@H]1CNCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000529327082 439409558 /nfs/dbraw/zinc/40/95/58/439409558.db2.gz AUKUPOORNAKZLJ-HNNXBMFYSA-N 1 3 325.501 0.652 20 0 ECADHO CC(C)[C@@H]1CNCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000529327082 439409563 /nfs/dbraw/zinc/40/95/63/439409563.db2.gz AUKUPOORNAKZLJ-HNNXBMFYSA-N 1 3 325.501 0.652 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000583078796 439417840 /nfs/dbraw/zinc/41/78/40/439417840.db2.gz LBDCETVIFFWAGF-RVKKMQEKSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000570422794 439419083 /nfs/dbraw/zinc/41/90/83/439419083.db2.gz MFPYSWYLMDBZNY-CYBMUJFWSA-N 1 3 346.406 0.717 20 0 ECADHO C[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000606699727 439422437 /nfs/dbraw/zinc/42/24/37/439422437.db2.gz TXQHKKGNQCYSLZ-GDBMZVCRSA-N 1 3 326.485 0.863 20 0 ECADHO O=C(NC[C@H]1NCCc2ccccc21)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000583203140 439431345 /nfs/dbraw/zinc/43/13/45/439431345.db2.gz PGIFOKHPINRTGM-UCMJJCQDSA-N 1 3 327.428 0.804 20 0 ECADHO CN1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)[C@@H](CN)C1 ZINC000583252048 439438337 /nfs/dbraw/zinc/43/83/37/439438337.db2.gz FHSXXQKYVUQAJB-JKSUJKDBSA-N 1 3 325.501 0.781 20 0 ECADHO O=C(C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000583558699 439479983 /nfs/dbraw/zinc/47/99/83/439479983.db2.gz PXYJGNBLLVTAPR-MAUKXSAKSA-N 1 3 334.464 0.285 20 0 ECADHO Cc1nnnn1-c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000583697609 439501831 /nfs/dbraw/zinc/50/18/31/439501831.db2.gz PDNYOHMSUUXZAT-UHFFFAOYSA-N 1 3 345.451 0.536 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736966 439459006 /nfs/dbraw/zinc/45/90/06/439459006.db2.gz PATXSJKHKGOXAX-IGQOVBAYSA-N 1 3 326.441 0.439 20 0 ECADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736967 439459165 /nfs/dbraw/zinc/45/91/65/439459165.db2.gz PATXSJKHKGOXAX-XDQVBPFNSA-N 1 3 326.441 0.439 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000583819770 439515643 /nfs/dbraw/zinc/51/56/43/439515643.db2.gz JEBHPAOAIQXMOH-UHFFFAOYSA-N 1 3 346.475 0.814 20 0 ECADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)nc1 ZINC000584532415 439598198 /nfs/dbraw/zinc/59/81/98/439598198.db2.gz NXVXBAOTAOVJJT-CVEARBPZSA-N 1 3 347.463 0.298 20 0 ECADHO CCOC(=O)CC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573479516 439648186 /nfs/dbraw/zinc/64/81/86/439648186.db2.gz YOWUNXRTFFSWRN-XHSDSOJGSA-N 1 3 328.453 0.658 20 0 ECADHO CN(C)CCN(Cc1ccccn1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000573485982 439649058 /nfs/dbraw/zinc/64/90/58/439649058.db2.gz TWVKDCNDWRXATL-INIZCTEOSA-N 1 3 347.463 0.230 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C1=CCN(C)CC1 ZINC000573526350 439649746 /nfs/dbraw/zinc/64/97/46/439649746.db2.gz AYDQTJYWCYPFHQ-HNNXBMFYSA-N 1 3 348.491 0.840 20 0 ECADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000573609995 439656295 /nfs/dbraw/zinc/65/62/95/439656295.db2.gz PPDGNLMXOAXDTI-KBMXLJTQSA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC[N@@H+]1C ZINC000573684850 439661450 /nfs/dbraw/zinc/66/14/50/439661450.db2.gz PPHDOBQIEWFQBG-FRFSOERESA-N 1 3 344.459 0.670 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC[N@H+]1C ZINC000573684850 439661453 /nfs/dbraw/zinc/66/14/53/439661453.db2.gz PPHDOBQIEWFQBG-FRFSOERESA-N 1 3 344.459 0.670 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000587089410 439666210 /nfs/dbraw/zinc/66/62/10/439666210.db2.gz FDEDWJMLUQFMHH-LSDHHAIUSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000587089410 439666214 /nfs/dbraw/zinc/66/62/14/439666214.db2.gz FDEDWJMLUQFMHH-LSDHHAIUSA-N 1 3 339.484 0.323 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000574149497 439686233 /nfs/dbraw/zinc/68/62/33/439686233.db2.gz ZLMYDOVYAXULAG-YESZJQIVSA-N 1 3 342.443 0.246 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612931581 439746657 /nfs/dbraw/zinc/74/66/57/439746657.db2.gz ZBNWIRPVSFNUAW-ZIAGYGMSSA-N 1 3 349.483 0.316 20 0 ECADHO CC[C@H](C(=O)N[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1)N(C)C ZINC000614985218 439791533 /nfs/dbraw/zinc/79/15/33/439791533.db2.gz QAOMYNJFYRCVHR-CKEIUWERSA-N 1 3 326.485 0.774 20 0 ECADHO CCN1CCN([C@H](C)CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758732 439878927 /nfs/dbraw/zinc/87/89/27/439878927.db2.gz SEPXETBRRJCRHZ-TZMCWYRMSA-N 1 3 336.402 0.671 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000631313378 439830346 /nfs/dbraw/zinc/83/03/46/439830346.db2.gz SYECSAGFSCCJCZ-KRWDZBQOSA-N 1 3 348.495 0.297 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000631313378 439830353 /nfs/dbraw/zinc/83/03/53/439830353.db2.gz SYECSAGFSCCJCZ-KRWDZBQOSA-N 1 3 348.495 0.297 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000662659855 439837318 /nfs/dbraw/zinc/83/73/18/439837318.db2.gz QCOWHTMIKGJMSG-UHFFFAOYSA-N 1 3 326.485 0.764 20 0 ECADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662692288 439849261 /nfs/dbraw/zinc/84/92/61/439849261.db2.gz CSVFGJBEQAGTHV-CABCVRRESA-N 1 3 334.468 0.880 20 0 ECADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662709501 439853994 /nfs/dbraw/zinc/85/39/94/439853994.db2.gz SEOIWPPIPGPAEE-DLBZAZTESA-N 1 3 347.463 0.791 20 0 ECADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662717704 439857942 /nfs/dbraw/zinc/85/79/42/439857942.db2.gz RFAKGKMJDLKROF-IAGOWNOFSA-N 1 3 335.448 0.650 20 0 ECADHO C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@@H]1CCC[NH3+] ZINC000662892576 439927643 /nfs/dbraw/zinc/92/76/43/439927643.db2.gz FEVKMGCNQHCLEF-BZUAXINKSA-N 1 3 338.496 0.763 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cn1 ZINC000631801702 439929553 /nfs/dbraw/zinc/92/95/53/439929553.db2.gz POCBKVCYOLDACH-INIZCTEOSA-N 1 3 335.452 0.428 20 0 ECADHO Cc1nn(C)c(C)c1OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506703 439900664 /nfs/dbraw/zinc/90/06/64/439900664.db2.gz WPGJNIWUKWPDLR-ZDUSSCGKSA-N 1 3 339.484 0.804 20 0 ECADHO Cc1nn(C)c(C)c1OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506703 439900673 /nfs/dbraw/zinc/90/06/73/439900673.db2.gz WPGJNIWUKWPDLR-ZDUSSCGKSA-N 1 3 339.484 0.804 20 0 ECADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cnnn1C1CC[NH2+]CC1 ZINC000662836127 439909400 /nfs/dbraw/zinc/90/94/00/439909400.db2.gz WJMIKBKAGOKHMZ-GJZGRUSLSA-N 1 3 332.452 0.949 20 0 ECADHO O=C(C[C@@H]1CNCCO1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662861267 439914943 /nfs/dbraw/zinc/91/49/43/439914943.db2.gz ZHGLHPRLRPACDD-DLBZAZTESA-N 1 3 333.432 0.248 20 0 ECADHO O=C(C[C@@H]1CNCCO1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662861267 439914948 /nfs/dbraw/zinc/91/49/48/439914948.db2.gz ZHGLHPRLRPACDD-DLBZAZTESA-N 1 3 333.432 0.248 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000626853417 439915372 /nfs/dbraw/zinc/91/53/72/439915372.db2.gz ZXTQNAXNJRCLMT-UHFFFAOYSA-N 1 3 347.463 0.574 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000658505520 439968061 /nfs/dbraw/zinc/96/80/61/439968061.db2.gz DRDGIWNWZLWLLO-MRXNPFEDSA-N 1 3 336.480 0.483 20 0 ECADHO CCO[C@H]1C[C@](N)(C(=O)NCC2(COC)CC[NH2+]CC2)C1(C)C ZINC000647038001 439978491 /nfs/dbraw/zinc/97/84/91/439978491.db2.gz LTWLLXICBIJQHI-GUYCJALGSA-N 1 3 327.469 0.651 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642431179 439981744 /nfs/dbraw/zinc/98/17/44/439981744.db2.gz MMFWWXGSWRRARF-XHSDSOJGSA-N 1 3 336.480 0.578 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000662986152 439982116 /nfs/dbraw/zinc/98/21/16/439982116.db2.gz KCVVSZXEBUGNJL-OAGGEKHMSA-N 1 3 336.480 0.659 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626993182 439983549 /nfs/dbraw/zinc/98/35/49/439983549.db2.gz QAYQBWQVPNNCGZ-UHFFFAOYSA-N 1 3 342.484 0.683 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000642009062 439940290 /nfs/dbraw/zinc/94/02/90/439940290.db2.gz NMJYOEUDFYESDQ-GJZGRUSLSA-N 1 3 337.468 0.063 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652719023 439942651 /nfs/dbraw/zinc/94/26/51/439942651.db2.gz RTYCVGAYAJSDHA-UHFFFAOYSA-N 1 3 346.475 0.967 20 0 ECADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@@H]([NH3+])C(C)C)CC1=O ZINC000662925968 439946895 /nfs/dbraw/zinc/94/68/95/439946895.db2.gz HXQYIFTYHCEOGT-BZUAXINKSA-N 1 3 338.496 0.809 20 0 ECADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000642254018 439960512 /nfs/dbraw/zinc/96/05/12/439960512.db2.gz XSMSCELRYTYVSF-IRXDYDNUSA-N 1 3 344.459 0.493 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N(CCN)Cc2ccccc2)CC1 ZINC000642247048 439961452 /nfs/dbraw/zinc/96/14/52/439961452.db2.gz IPGDSXGDSTUZMS-UHFFFAOYSA-N 1 3 346.475 0.822 20 0 ECADHO O=C([C@H]1CCCC[NH2+]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014371 439990190 /nfs/dbraw/zinc/99/01/90/439990190.db2.gz LMTFKJUDROUDIF-LSDHHAIUSA-N 1 3 346.479 0.667 20 0 ECADHO CCCN(C)CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663020110 439993406 /nfs/dbraw/zinc/99/34/06/439993406.db2.gz WSAJRNPFPUCYEP-OAHLLOKOSA-N 1 3 348.495 0.867 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000642644476 439996338 /nfs/dbraw/zinc/99/63/38/439996338.db2.gz NRKOJEJCELMKKB-XHSDSOJGSA-N 1 3 338.496 0.809 20 0 ECADHO [NH3+]C[C@H]1CN(S(=O)(=O)CCCN2CCCC2)CC12CCOCC2 ZINC000631941454 439998422 /nfs/dbraw/zinc/99/84/22/439998422.db2.gz XQCNCYYOPNUPTR-HNNXBMFYSA-N 1 3 345.509 0.489 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC[N@@H+]1C ZINC000636700450 440000538 /nfs/dbraw/zinc/00/05/38/440000538.db2.gz BFHOONBLJLWTPX-FMKPAKJESA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC[N@H+]1C ZINC000636700450 440000543 /nfs/dbraw/zinc/00/05/43/440000543.db2.gz BFHOONBLJLWTPX-FMKPAKJESA-N 1 3 336.480 0.718 20 0 ECADHO CN(C)CCCS(=O)(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000631944537 440003289 /nfs/dbraw/zinc/00/32/89/440003289.db2.gz AARSRGGRGKTJHF-HUUCEWRRSA-N 1 3 333.498 0.486 20 0 ECADHO COCCN(C)CCNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636709796 440005383 /nfs/dbraw/zinc/00/53/83/440005383.db2.gz XLWJPRSZPVRUOV-UHFFFAOYSA-N 1 3 338.456 0.850 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000642699731 440006626 /nfs/dbraw/zinc/00/66/26/440006626.db2.gz JCPRNSQWGYLFKF-OFQRWUPVSA-N 1 3 332.448 0.477 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCC1 ZINC000642698806 440006647 /nfs/dbraw/zinc/00/66/47/440006647.db2.gz SPWQZCIPEVVULN-UHFFFAOYSA-N 1 3 336.480 0.579 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000642780502 440033027 /nfs/dbraw/zinc/03/30/27/440033027.db2.gz LKHIKUSLDSOQPL-DLBZAZTESA-N 1 3 344.459 0.575 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CCCCC1 ZINC000642785745 440039025 /nfs/dbraw/zinc/03/90/25/440039025.db2.gz GSRMIHHWCCQEKC-HOTGVXAUSA-N 1 3 336.480 0.611 20 0 ECADHO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000642785907 440037386 /nfs/dbraw/zinc/03/73/86/440037386.db2.gz PNHOBNFOBJSBFO-MRXNPFEDSA-N 1 3 336.480 0.435 20 0 ECADHO [NH3+]CCCOCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000627008353 439988639 /nfs/dbraw/zinc/98/86/39/439988639.db2.gz GLTBZWSWEVSYFG-UHFFFAOYSA-N 1 3 335.452 0.963 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](O)CNC[C@H](O)C[NH+]1CCCCC1 ZINC000647517948 440061327 /nfs/dbraw/zinc/06/13/27/440061327.db2.gz WGPMACCPYVSCHK-OALUTQOASA-N 1 3 335.492 0.916 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642914263 440062673 /nfs/dbraw/zinc/06/26/73/440062673.db2.gz NINOLWZWGNREDV-INIZCTEOSA-N 1 3 332.448 0.445 20 0 ECADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642990024 440078241 /nfs/dbraw/zinc/07/82/41/440078241.db2.gz GENFSTPNFWYWOS-GOEBONIOSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)C1=CC[N@H+](C)CC1 ZINC000636908933 440088818 /nfs/dbraw/zinc/08/88/18/440088818.db2.gz QMFVCRQOPYEAIH-WMLDXEAASA-N 1 3 348.491 0.886 20 0 ECADHO C[C@H](NC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000636908933 440088825 /nfs/dbraw/zinc/08/88/25/440088825.db2.gz QMFVCRQOPYEAIH-WMLDXEAASA-N 1 3 348.491 0.886 20 0 ECADHO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785754 440039395 /nfs/dbraw/zinc/03/93/95/440039395.db2.gz HSWUDAVQBWEPDX-KRWDZBQOSA-N 1 3 344.459 0.574 20 0 ECADHO CN(C)CCn1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000632025585 440044626 /nfs/dbraw/zinc/04/46/26/440044626.db2.gz MFMNGBTVCMQRTJ-IXDOHACOSA-N 1 3 349.479 0.768 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642809757 440046836 /nfs/dbraw/zinc/04/68/36/440046836.db2.gz MDFNPYBRJIWNQN-IXXDHKBRSA-N 1 3 336.480 0.622 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)NCCOCCC[NH3+])CC1 ZINC000627215407 440048949 /nfs/dbraw/zinc/04/89/49/440048949.db2.gz FMIKXFQGMXCWPQ-UHFFFAOYSA-N 1 3 329.489 0.067 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000627312281 440116517 /nfs/dbraw/zinc/11/65/17/440116517.db2.gz VJXSYMHOSICYOO-SOUVJXGZSA-N 1 3 338.496 0.870 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000627292139 440101711 /nfs/dbraw/zinc/10/17/11/440101711.db2.gz MHWNHUMPGGRNCE-INIZCTEOSA-N 1 3 334.464 0.993 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627303312 440109537 /nfs/dbraw/zinc/10/95/37/440109537.db2.gz NMPPQRZGNHFSOT-QGZVFWFLSA-N 1 3 346.475 0.822 20 0 ECADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627303312 440109546 /nfs/dbraw/zinc/10/95/46/440109546.db2.gz NMPPQRZGNHFSOT-QGZVFWFLSA-N 1 3 346.475 0.822 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000627379351 440165226 /nfs/dbraw/zinc/16/52/26/440165226.db2.gz JPDMMIICVYSUPO-USXIJHARSA-N 1 3 344.459 0.634 20 0 ECADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000643453453 440169834 /nfs/dbraw/zinc/16/98/34/440169834.db2.gz CKDPWQGFXDUNTG-OAGGEKHMSA-N 1 3 344.525 0.074 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653430369 440169970 /nfs/dbraw/zinc/16/99/70/440169970.db2.gz BSRAQLINTZUWOE-OAHLLOKOSA-N 1 3 326.485 0.777 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC[C@H]1[NH3+] ZINC000643492864 440184567 /nfs/dbraw/zinc/18/45/67/440184567.db2.gz SIYVWOLQQJRERO-OWCLPIDISA-N 1 3 336.480 0.659 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC[C@@H]1[NH3+] ZINC000643498929 440190528 /nfs/dbraw/zinc/19/05/28/440190528.db2.gz XHCUDIJXFIMFLX-OAGGEKHMSA-N 1 3 336.480 0.659 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000643510627 440191886 /nfs/dbraw/zinc/19/18/86/440191886.db2.gz DVMWJQQMWKBRDE-JYJNAYRXSA-N 1 3 334.464 0.284 20 0 ECADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000643510626 440192862 /nfs/dbraw/zinc/19/28/62/440192862.db2.gz DVMWJQQMWKBRDE-HRCADAONSA-N 1 3 334.464 0.284 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1)[C@H]1CCN(CC)C1 ZINC000658829253 440145271 /nfs/dbraw/zinc/14/52/71/440145271.db2.gz JANHVNUCOLSXBK-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO COC[C@@H](CCC[NH3+])NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000647800548 440155133 /nfs/dbraw/zinc/15/51/33/440155133.db2.gz FDHIIDKTCHKGQO-CHWSQXEVSA-N 1 3 328.434 0.565 20 0 ECADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000659040846 440211780 /nfs/dbraw/zinc/21/17/80/440211780.db2.gz NUTRPUUSALLIRA-BBWFWOEESA-N 1 3 346.431 0.630 20 0 ECADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659040846 440211790 /nfs/dbraw/zinc/21/17/90/440211790.db2.gz NUTRPUUSALLIRA-BBWFWOEESA-N 1 3 346.431 0.630 20 0 ECADHO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659038617 440212781 /nfs/dbraw/zinc/21/27/81/440212781.db2.gz UFWYZRZZRKHHNS-DOTOQJQBSA-N 1 3 334.420 0.536 20 0 ECADHO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659038617 440212786 /nfs/dbraw/zinc/21/27/86/440212786.db2.gz UFWYZRZZRKHHNS-DOTOQJQBSA-N 1 3 334.420 0.536 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000643571164 440212828 /nfs/dbraw/zinc/21/28/28/440212828.db2.gz AVEWTERBXDGRBG-BHYGNILZSA-N 1 3 348.491 0.802 20 0 ECADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000643571164 440212832 /nfs/dbraw/zinc/21/28/32/440212832.db2.gz AVEWTERBXDGRBG-BHYGNILZSA-N 1 3 348.491 0.802 20 0 ECADHO O=C(C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000643593787 440217035 /nfs/dbraw/zinc/21/70/35/440217035.db2.gz QPDLFJQRGDNTQV-YESZJQIVSA-N 1 3 348.491 0.674 20 0 ECADHO O=C(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000643593784 440218177 /nfs/dbraw/zinc/21/81/77/440218177.db2.gz QPDLFJQRGDNTQV-BRWVUGGUSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+](C)C ZINC000659076603 440228670 /nfs/dbraw/zinc/22/86/70/440228670.db2.gz ANNQFTNNSZZEEG-DOMZBBRYSA-N 1 3 334.420 0.352 20 0 ECADHO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659084296 440236407 /nfs/dbraw/zinc/23/64/07/440236407.db2.gz YKIFNVKLGOVDQQ-WFASDCNBSA-N 1 3 334.420 0.352 20 0 ECADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000643531789 440204310 /nfs/dbraw/zinc/20/43/10/440204310.db2.gz LDAJLFRWULNRCK-KRWDZBQOSA-N 1 3 344.459 0.669 20 0 ECADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000648152938 440245172 /nfs/dbraw/zinc/24/51/72/440245172.db2.gz QBOJOFCZQYZBTJ-LSDHHAIUSA-N 1 3 344.450 0.860 20 0 ECADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000648152938 440245177 /nfs/dbraw/zinc/24/51/77/440245177.db2.gz QBOJOFCZQYZBTJ-LSDHHAIUSA-N 1 3 344.450 0.860 20 0 ECADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2cccc(CN)c2)CCO1 ZINC000659113428 440259285 /nfs/dbraw/zinc/25/92/85/440259285.db2.gz FNBCNMHWGBXUCU-INIZCTEOSA-N 1 3 348.447 0.653 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CN1C1CC1 ZINC000664367582 440298045 /nfs/dbraw/zinc/29/80/45/440298045.db2.gz LVGXQWLRZBYJRO-CKEIUWERSA-N 1 3 336.480 0.852 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CN1C1CC1 ZINC000664367582 440298049 /nfs/dbraw/zinc/29/80/49/440298049.db2.gz LVGXQWLRZBYJRO-CKEIUWERSA-N 1 3 336.480 0.852 20 0 ECADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654393188 440307859 /nfs/dbraw/zinc/30/78/59/440307859.db2.gz ZWGKJJUXAKEHIY-FGTMMUONSA-N 1 3 346.475 0.620 20 0 ECADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654399864 440310486 /nfs/dbraw/zinc/31/04/86/440310486.db2.gz UEKSPEQHJFHQAJ-BQJWPVKWSA-N 1 3 338.496 0.813 20 0 ECADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654399864 440310491 /nfs/dbraw/zinc/31/04/91/440310491.db2.gz UEKSPEQHJFHQAJ-BQJWPVKWSA-N 1 3 338.496 0.813 20 0 ECADHO CO[C@@](C)(CO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000654413384 440311198 /nfs/dbraw/zinc/31/11/98/440311198.db2.gz SEURENDKEKVROT-QGZVFWFLSA-N 1 3 342.484 0.242 20 0 ECADHO CCC[NH+](CCC)CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654425047 440315990 /nfs/dbraw/zinc/31/59/90/440315990.db2.gz BUOIWXGDHDMICY-JKSUJKDBSA-N 1 3 326.485 0.959 20 0 ECADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC(C)([NH+]4CCCC4)CC3)C[C@@H]21 ZINC000632702476 440346802 /nfs/dbraw/zinc/34/68/02/440346802.db2.gz SLCMPZOLQAOKEA-CVEARBPZSA-N 1 3 348.491 0.626 20 0 ECADHO CC1(C)CNCCN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000637857270 440350384 /nfs/dbraw/zinc/35/03/84/440350384.db2.gz NVIUAZRJNHMUNA-UHFFFAOYSA-N 1 3 342.394 0.964 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000659519022 440352432 /nfs/dbraw/zinc/35/24/32/440352432.db2.gz CDODJTPOPPFGBD-OAHLLOKOSA-N 1 3 335.452 0.348 20 0 ECADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000632724320 440355800 /nfs/dbraw/zinc/35/58/00/440355800.db2.gz DJFDQQUHMVKDLI-OAHLLOKOSA-N 1 3 338.496 0.872 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000659550439 440361820 /nfs/dbraw/zinc/36/18/20/440361820.db2.gz GRLNFXMBVCNAFU-AWEZNQCLSA-N 1 3 327.473 0.180 20 0 ECADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659441300 440324204 /nfs/dbraw/zinc/32/42/04/440324204.db2.gz DJCURGJVAIBOQJ-NWDGAFQWSA-N 1 3 336.440 0.561 20 0 ECADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659441300 440324207 /nfs/dbraw/zinc/32/42/07/440324207.db2.gz DJCURGJVAIBOQJ-NWDGAFQWSA-N 1 3 336.440 0.561 20 0 ECADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)N2CC3CC2(CN)C3)([NH+](C)C)C1 ZINC000659680319 440415194 /nfs/dbraw/zinc/41/51/94/440415194.db2.gz MMXAHNNRWXLROF-AZGBBHLQSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659681213 440416514 /nfs/dbraw/zinc/41/65/14/440416514.db2.gz RAWAVUDHCKCQIK-RBSFLKMASA-N 1 3 338.496 0.857 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000659684574 440419549 /nfs/dbraw/zinc/41/95/49/440419549.db2.gz JDGRWWKCDXINHP-OAHLLOKOSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659687963 440423295 /nfs/dbraw/zinc/42/32/95/440423295.db2.gz QBHGHWFDJKNNJB-KSTDHSDQSA-N 1 3 336.480 0.420 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659687963 440423301 /nfs/dbraw/zinc/42/33/01/440423301.db2.gz QBHGHWFDJKNNJB-KSTDHSDQSA-N 1 3 336.480 0.420 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000665121595 440425028 /nfs/dbraw/zinc/42/50/28/440425028.db2.gz YFCHDOVYOLWGCE-HNNXBMFYSA-N 1 3 341.500 0.380 20 0 ECADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000665121595 440425034 /nfs/dbraw/zinc/42/50/34/440425034.db2.gz YFCHDOVYOLWGCE-HNNXBMFYSA-N 1 3 341.500 0.380 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000659646932 440392162 /nfs/dbraw/zinc/39/21/62/440392162.db2.gz KAYHKYYQSRDCQN-XIRDDKMYSA-N 1 3 334.464 0.777 20 0 ECADHO Cc1nccnc1CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664967726 440398194 /nfs/dbraw/zinc/39/81/94/440398194.db2.gz IKCXYTBEEZYQSL-AWEZNQCLSA-N 1 3 336.484 0.899 20 0 ECADHO Cc1nccnc1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664967726 440398198 /nfs/dbraw/zinc/39/81/98/440398198.db2.gz IKCXYTBEEZYQSL-AWEZNQCLSA-N 1 3 336.484 0.899 20 0 ECADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000664990423 440400083 /nfs/dbraw/zinc/40/00/83/440400083.db2.gz RKQWWJXQLYQGNI-LBPRGKRZSA-N 1 3 337.472 0.753 20 0 ECADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000633001991 440404491 /nfs/dbraw/zinc/40/44/91/440404491.db2.gz HWYPMNSAXMTMTR-HNNXBMFYSA-N 1 3 348.451 0.299 20 0 ECADHO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(OCCN(C)C)c1 ZINC000633028813 440411901 /nfs/dbraw/zinc/41/19/01/440411901.db2.gz YANOFXOBBVOLKS-KBPBESRZSA-N 1 3 346.431 0.447 20 0 ECADHO C[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@@H](C)CN1 ZINC000638154516 440467039 /nfs/dbraw/zinc/46/70/39/440467039.db2.gz CBPZRCQOCJKGNX-ZJUUUORDSA-N 1 3 342.394 0.963 20 0 ECADHO [NH3+]CC1(CCNC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659729605 440467287 /nfs/dbraw/zinc/46/72/87/440467287.db2.gz TVBXBUUCYNJWCX-AWEZNQCLSA-N 1 3 336.480 0.755 20 0 ECADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659741766 440479095 /nfs/dbraw/zinc/47/90/95/440479095.db2.gz OIOCOAYVDUHHCQ-UHFFFAOYSA-N 1 3 338.496 0.681 20 0 ECADHO CN(CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)C1CC1 ZINC000638084245 440429376 /nfs/dbraw/zinc/42/93/76/440429376.db2.gz QZFLGFNRDQDFEA-SNVBAGLBSA-N 1 3 328.367 0.574 20 0 ECADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000649279136 440432725 /nfs/dbraw/zinc/43/27/25/440432725.db2.gz YPOZXZBYJBXXOA-KGLIPLIRSA-N 1 3 333.436 0.423 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638096822 440433314 /nfs/dbraw/zinc/43/33/14/440433314.db2.gz NCLXEDXRKYGMDB-QWRGUYRKSA-N 1 3 342.394 0.916 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000638098904 440436657 /nfs/dbraw/zinc/43/66/57/440436657.db2.gz QKOQCEPMKVKBRU-OAHLLOKOSA-N 1 3 326.485 0.763 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@H]1C[NH3+] ZINC000633092972 440440426 /nfs/dbraw/zinc/44/04/26/440440426.db2.gz CXGRFUNMVKBGEF-ZIAGYGMSSA-N 1 3 336.436 0.223 20 0 ECADHO COC[C@]1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCCN1 ZINC000638139875 440461013 /nfs/dbraw/zinc/46/10/13/440461013.db2.gz PPVBOHXHUOSYFK-AEFFLSMTSA-N 1 3 338.496 0.384 20 0 ECADHO COC[C@]1(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCCCN1 ZINC000638139875 440461017 /nfs/dbraw/zinc/46/10/17/440461017.db2.gz PPVBOHXHUOSYFK-AEFFLSMTSA-N 1 3 338.496 0.384 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638248221 440485709 /nfs/dbraw/zinc/48/57/09/440485709.db2.gz YPXUYICGZRLOBZ-UHFFFAOYSA-N 1 3 327.469 0.573 20 0 ECADHO CC[C@@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)CC[C@@H]1[NH3+] ZINC000649416804 440493310 /nfs/dbraw/zinc/49/33/10/440493310.db2.gz MJXRFFVVTMXQTK-CVEARBPZSA-N 1 3 346.479 0.575 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638304411 440504034 /nfs/dbraw/zinc/50/40/34/440504034.db2.gz ORSLVVFDLNWKGE-NSHDSACASA-N 1 3 342.394 0.916 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)C[C@@H]1C ZINC000665758610 440523899 /nfs/dbraw/zinc/52/38/99/440523899.db2.gz KTSBYVZSVMTZGF-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)C[C@@H]1C ZINC000665758610 440523906 /nfs/dbraw/zinc/52/39/06/440523906.db2.gz KTSBYVZSVMTZGF-KBPBESRZSA-N 1 3 327.473 0.178 20 0 ECADHO C[C@@H](O)C[C@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760687 440524525 /nfs/dbraw/zinc/52/45/25/440524525.db2.gz MXWRWLBFLITJOZ-XHSDSOJGSA-N 1 3 344.500 0.440 20 0 ECADHO C[C@@H](O)C[C@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760687 440524529 /nfs/dbraw/zinc/52/45/29/440524529.db2.gz MXWRWLBFLITJOZ-XHSDSOJGSA-N 1 3 344.500 0.440 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000665762595 440526493 /nfs/dbraw/zinc/52/64/93/440526493.db2.gz JPJQCZZYRMYKCV-SOUVJXGZSA-N 1 3 328.457 0.068 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000665762595 440526498 /nfs/dbraw/zinc/52/64/98/440526498.db2.gz JPJQCZZYRMYKCV-SOUVJXGZSA-N 1 3 328.457 0.068 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000665763768 440530831 /nfs/dbraw/zinc/53/08/31/440530831.db2.gz LFZROFGJCUPKRX-ZOBUZTSGSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000665763768 440530839 /nfs/dbraw/zinc/53/08/39/440530839.db2.gz LFZROFGJCUPKRX-ZOBUZTSGSA-N 1 3 326.485 0.936 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655447072 440564024 /nfs/dbraw/zinc/56/40/24/440564024.db2.gz ORGRHZBMNMIETG-YJBOKZPZSA-N 1 3 336.480 0.389 20 0 ECADHO CO[C@H](CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCOCC1 ZINC000638571791 440568299 /nfs/dbraw/zinc/56/82/99/440568299.db2.gz ZEAZSHPJLIEAFA-JKSUJKDBSA-N 1 3 327.469 0.605 20 0 ECADHO CO[C@H](CNCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCOCC1 ZINC000638571791 440568305 /nfs/dbraw/zinc/56/83/05/440568305.db2.gz ZEAZSHPJLIEAFA-JKSUJKDBSA-N 1 3 327.469 0.605 20 0 ECADHO C[NH2+]CCOCCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638574468 440570276 /nfs/dbraw/zinc/57/02/76/440570276.db2.gz UAKGDJDCUARATR-UHFFFAOYSA-N 1 3 349.435 0.269 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000634252667 440626927 /nfs/dbraw/zinc/62/69/27/440626927.db2.gz GDFIONSPTSUFJN-NCOADZHNSA-N 1 3 348.491 0.482 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000634252667 440626931 /nfs/dbraw/zinc/62/69/31/440626931.db2.gz GDFIONSPTSUFJN-NCOADZHNSA-N 1 3 348.491 0.482 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650769768 440680344 /nfs/dbraw/zinc/68/03/44/440680344.db2.gz DOYLKMYNVISXKZ-AWEZNQCLSA-N 1 3 327.473 0.132 20 0 ECADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660584951 440683856 /nfs/dbraw/zinc/68/38/56/440683856.db2.gz NPUHHENIIOJHKX-MRXNPFEDSA-N 1 3 326.485 0.986 20 0 ECADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660584951 440683864 /nfs/dbraw/zinc/68/38/64/440683864.db2.gz NPUHHENIIOJHKX-MRXNPFEDSA-N 1 3 326.485 0.986 20 0 ECADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530238 440640149 /nfs/dbraw/zinc/64/01/49/440640149.db2.gz ZLMJYBXSGSRNEG-CABCVRRESA-N 1 3 345.443 0.965 20 0 ECADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530238 440640156 /nfs/dbraw/zinc/64/01/56/440640156.db2.gz ZLMJYBXSGSRNEG-CABCVRRESA-N 1 3 345.443 0.965 20 0 ECADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644530238 440640160 /nfs/dbraw/zinc/64/01/60/440640160.db2.gz ZLMJYBXSGSRNEG-CABCVRRESA-N 1 3 345.443 0.965 20 0 ECADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000666770608 440688918 /nfs/dbraw/zinc/68/89/18/440688918.db2.gz MWMVZJHXAQHFSO-QGZVFWFLSA-N 1 3 342.443 0.871 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634740885 440702114 /nfs/dbraw/zinc/70/21/14/440702114.db2.gz LOVBLZZPZWDIOT-YTQUADARSA-N 1 3 330.476 0.904 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000656029064 440699293 /nfs/dbraw/zinc/69/92/93/440699293.db2.gz UZFBEUBDFYEQTD-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CC1(N2CCOCC2)CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000629654240 440746298 /nfs/dbraw/zinc/74/62/98/440746298.db2.gz COQPBCNBSQVQNF-INIZCTEOSA-N 1 3 338.496 0.370 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000656283809 440750000 /nfs/dbraw/zinc/75/00/00/440750000.db2.gz GYBXEJJYVHVMKR-GASCZTMLSA-N 1 3 338.496 0.824 20 0 ECADHO CO[C@@H]1COC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000645204933 440762763 /nfs/dbraw/zinc/76/27/63/440762763.db2.gz BDSJRJWAXRDQSW-HZPDHXFCSA-N 1 3 340.468 0.258 20 0 ECADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000629792196 440763645 /nfs/dbraw/zinc/76/36/45/440763645.db2.gz HXHRJHZHRMELRT-UHFFFAOYSA-N 1 3 338.427 0.523 20 0 ECADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@H](N3CCCC3)C1)C2 ZINC000629796667 440764883 /nfs/dbraw/zinc/76/48/83/440764883.db2.gz RQRONNSWISMPAH-JCGIZDLHSA-N 1 3 334.464 0.141 20 0 ECADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656353747 440783558 /nfs/dbraw/zinc/78/35/58/440783558.db2.gz CDWAKILZKHEETA-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656353747 440783564 /nfs/dbraw/zinc/78/35/64/440783564.db2.gz CDWAKILZKHEETA-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639760641 440786514 /nfs/dbraw/zinc/78/65/14/440786514.db2.gz YQPDXUDJSPCTHE-HNNXBMFYSA-N 1 3 336.480 0.483 20 0 ECADHO CN1CC[C@](C)(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000635457615 440854009 /nfs/dbraw/zinc/85/40/09/440854009.db2.gz MZSQMHRJRUKQPT-GOSISDBHSA-N 1 3 336.480 0.530 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000635479110 440862794 /nfs/dbraw/zinc/86/27/94/440862794.db2.gz DCMHJYZTDOFYNR-MRXNPFEDSA-N 1 3 327.469 0.668 20 0 ECADHO CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000645619863 440863000 /nfs/dbraw/zinc/86/30/00/440863000.db2.gz NBIUMHPFZFQKKV-RDJZCZTQSA-N 1 3 344.459 0.892 20 0 ECADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](CN)c3ccccc3)CC2)C1 ZINC000646002938 440968985 /nfs/dbraw/zinc/96/89/85/440968985.db2.gz KKHHHTAETATTEF-ZWKOTPCHSA-N 1 3 330.476 0.967 20 0 ECADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H](CN)c3ccccc3)CC2)C1 ZINC000646002938 440968989 /nfs/dbraw/zinc/96/89/89/440968989.db2.gz KKHHHTAETATTEF-ZWKOTPCHSA-N 1 3 330.476 0.967 20 0 ECADHO CN1CCN(C(=O)CC[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657346469 440998276 /nfs/dbraw/zinc/99/82/76/440998276.db2.gz JFKHSJWXGMFQRA-UHFFFAOYSA-N 1 3 328.420 0.521 20 0 ECADHO O=C(NC[C@@H]1CCCN(CCO[C@@H]2CC2(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000662266444 441002551 /nfs/dbraw/zinc/00/25/51/441002551.db2.gz ZGJSADRUPKFHTC-BFHYXJOUSA-N 1 3 331.407 0.991 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)NCCC2(C[NH3+])CC2)ccn1 ZINC000652173888 441024034 /nfs/dbraw/zinc/02/40/34/441024034.db2.gz ACCVENVENXXFRF-UHFFFAOYSA-N 1 3 335.452 0.950 20 0 ECADHO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)CN1CCN(C)CC1 ZINC000652159121 441021175 /nfs/dbraw/zinc/02/11/75/441021175.db2.gz RUGKEIIVULJYAC-RYRKJORJSA-N 1 3 337.512 0.640 20 0 ECADHO CCn1ncc(C)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000657839150 441072014 /nfs/dbraw/zinc/07/20/14/441072014.db2.gz NDPUIPISUKRQMC-UHFFFAOYSA-N 1 3 338.456 0.102 20 0 ECADHO CCO[C@@H]1CN(C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000652187975 441027293 /nfs/dbraw/zinc/02/72/93/441027293.db2.gz ACIJZLHORPHADM-HUUCEWRRSA-N 1 3 341.500 0.018 20 0 ECADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662407456 441033675 /nfs/dbraw/zinc/03/36/75/441033675.db2.gz CFGSUMGRDYPWMV-CQSZACIVSA-N 1 3 343.353 0.972 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000635938468 441045557 /nfs/dbraw/zinc/04/55/57/441045557.db2.gz HKTSBSIWWIXOFJ-UHFFFAOYSA-N 1 3 341.496 0.916 20 0 ECADHO CC(C)[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000662479518 441051486 /nfs/dbraw/zinc/05/14/86/441051486.db2.gz KHQNMWOKRJORRK-GOEBONIOSA-N 1 3 348.495 0.488 20 0 ECADHO CCS(=O)(=O)NCCCN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350089 441057662 /nfs/dbraw/zinc/05/76/62/441057662.db2.gz FKXNGHNCJSZNMV-RRFJBIMHSA-N 1 3 333.498 0.534 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C[C@@H](C)O1 ZINC000652345790 441058177 /nfs/dbraw/zinc/05/81/77/441058177.db2.gz LXLYCXTWBLHPRS-UUAJXVIYSA-N 1 3 339.480 0.841 20 0 ECADHO COCCOCCN(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000635994794 441059804 /nfs/dbraw/zinc/05/98/04/441059804.db2.gz JRXYGUHFGLBZPO-MQVJKMGUSA-N 1 3 327.469 0.713 20 0 ECADHO COCCOCCN(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000635994794 441059808 /nfs/dbraw/zinc/05/98/08/441059808.db2.gz JRXYGUHFGLBZPO-MQVJKMGUSA-N 1 3 327.469 0.713 20 0 ECADHO CN(Cc1ccccc1)C[C@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641215253 441076413 /nfs/dbraw/zinc/07/64/13/441076413.db2.gz QFQBVEBARRSUCW-SFHVURJKSA-N 1 3 344.463 0.176 20 0 ECADHO COC[C@@H]([NH3+])Cc1cn(C[C@H](O)CN(C)Cc2ccccc2)nn1 ZINC000641215084 441077182 /nfs/dbraw/zinc/07/71/82/441077182.db2.gz MSPDVVALTLYZHD-DOTOQJQBSA-N 1 3 333.436 0.287 20 0 ECADHO CC1(C)CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCN1 ZINC000333631675 320921755 /nfs/dbraw/zinc/92/17/55/320921755.db2.gz GTBRTKJSBSPRAD-LLVKDONJSA-N 1 3 337.390 0.216 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340208626 321022204 /nfs/dbraw/zinc/02/22/04/321022204.db2.gz DDRDRKNGYAVIHC-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340208626 321022206 /nfs/dbraw/zinc/02/22/06/321022206.db2.gz DDRDRKNGYAVIHC-HOTGVXAUSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000340218641 321024092 /nfs/dbraw/zinc/02/40/92/321024092.db2.gz PABAPQTWCMSCCE-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000341238395 321052289 /nfs/dbraw/zinc/05/22/89/321052289.db2.gz QJCKBPSJGAWWBD-INIZCTEOSA-N 1 3 348.495 0.488 20 0 ECADHO CCN(CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000342904984 321109722 /nfs/dbraw/zinc/10/97/22/321109722.db2.gz QWJYNBUIVDYQHN-UHFFFAOYSA-N 1 3 338.496 0.966 20 0 ECADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CCN(C)CC2)CC1 ZINC000344514933 321153276 /nfs/dbraw/zinc/15/32/76/321153276.db2.gz GEEZQMFCVRNPAO-UHFFFAOYSA-N 1 3 339.484 0.323 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347965328 321260389 /nfs/dbraw/zinc/26/03/89/321260389.db2.gz FXIBAZADVWFIRA-QKPAOTATSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347965328 321260391 /nfs/dbraw/zinc/26/03/91/321260391.db2.gz FXIBAZADVWFIRA-QKPAOTATSA-N 1 3 338.496 0.964 20 0 ECADHO COCCN1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000349938931 321318985 /nfs/dbraw/zinc/31/89/85/321318985.db2.gz VHHHLQLFTOUMII-KRWDZBQOSA-N 1 3 349.479 0.876 20 0 ECADHO CN1CCC(O)(CNC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000354430955 321477779 /nfs/dbraw/zinc/47/77/79/321477779.db2.gz LBRBCHVGFGBCKE-UHFFFAOYSA-N 1 3 326.485 0.864 20 0 ECADHO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cnc3c(c2)CNCC3)CC1=O ZINC000378407245 321882187 /nfs/dbraw/zinc/88/21/87/321882187.db2.gz ULAXKAFMFPVTJU-ZDUSSCGKSA-N 1 3 331.420 0.076 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)Cc1ccccc1 ZINC000531118501 322035358 /nfs/dbraw/zinc/03/53/58/322035358.db2.gz JZWHHZNOGNCZRC-UHFFFAOYSA-N 1 3 334.464 0.297 20 0 ECADHO C[C@H](OC[C@H]1CCCCO1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531118237 322035483 /nfs/dbraw/zinc/03/54/83/322035483.db2.gz DPJMSQUEZOQVJH-JKSUJKDBSA-N 1 3 329.485 0.912 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000561185815 322255472 /nfs/dbraw/zinc/25/54/72/322255472.db2.gz JZAJOBQFTLZEEB-AEFFLSMTSA-N 1 3 345.491 0.711 20 0 ECADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000561229886 322256996 /nfs/dbraw/zinc/25/69/96/322256996.db2.gz HBWICYMOHHSBTM-SJORKVTESA-N 1 3 346.475 0.473 20 0 ECADHO Cc1cccc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000563146795 322301243 /nfs/dbraw/zinc/30/12/43/322301243.db2.gz ARTMKERWEKPZHR-UHFFFAOYSA-N 1 3 349.479 0.300 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H](O)COC)CC2)CC1 ZINC000563388066 322313824 /nfs/dbraw/zinc/31/38/24/322313824.db2.gz ULEXZBRLGISDBX-KRWDZBQOSA-N 1 3 341.496 0.696 20 0 ECADHO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[C@@H](N)C3)CC2)cn1 ZINC000565225324 322441152 /nfs/dbraw/zinc/44/11/52/322441152.db2.gz CJVBOOLJXXIQNZ-OCCSQVGLSA-N 1 3 341.481 0.433 20 0 ECADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000566258348 322519753 /nfs/dbraw/zinc/51/97/53/322519753.db2.gz SRSWBFKQEOZJQM-WMLDXEAASA-N 1 3 340.431 0.901 20 0 ECADHO C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C(=O)NCCN(C)C ZINC000566462232 322534804 /nfs/dbraw/zinc/53/48/04/322534804.db2.gz MMCHBSYPMFCFPE-AWEZNQCLSA-N 1 3 334.464 0.587 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000567639335 322590367 /nfs/dbraw/zinc/59/03/67/322590367.db2.gz HYYIFFQJRNLDHF-OAHLLOKOSA-N 1 3 342.484 0.001 20 0 ECADHO N[C@H]1Cc2ccccc2N(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000567925399 322606563 /nfs/dbraw/zinc/60/65/63/322606563.db2.gz KUDNIRUHROQTFT-UONOGXRCSA-N 1 3 326.404 0.560 20 0 ECADHO CC(C)[NH+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)C ZINC000569472049 322654574 /nfs/dbraw/zinc/65/45/74/322654574.db2.gz FXHCJHIOXYWECR-KGLIPLIRSA-N 1 3 325.457 0.059 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000570967856 322706020 /nfs/dbraw/zinc/70/60/20/322706020.db2.gz WXMSZRNWJKCOMT-ZDUSSCGKSA-N 1 3 339.465 0.648 20 0 ECADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000572978227 322754537 /nfs/dbraw/zinc/75/45/37/322754537.db2.gz WWGNUMLXKWXRMZ-UHFFFAOYSA-N 1 3 330.432 0.197 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000573267694 322759253 /nfs/dbraw/zinc/75/92/53/322759253.db2.gz PULDIXZALRNESL-DLBZAZTESA-N 1 3 337.512 0.796 20 0 ECADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])Cc1ccccc1 ZINC000573340134 322760457 /nfs/dbraw/zinc/76/04/57/322760457.db2.gz KATQDXRFKWJTMI-QGZVFWFLSA-N 1 3 348.491 0.863 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000577214561 322828562 /nfs/dbraw/zinc/82/85/62/322828562.db2.gz KZWBNQUBOZGADS-ARFHVFGLSA-N 1 3 334.464 0.141 20 0 ECADHO Cc1occc1CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000579683720 322903560 /nfs/dbraw/zinc/90/35/60/322903560.db2.gz IEYNUDHJJZTPOY-UHFFFAOYSA-N 1 3 338.452 0.498 20 0 ECADHO O=C(N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012071 782134439 /nfs/dbraw/zinc/13/44/39/782134439.db2.gz UCASREJZTRFOHZ-QZTJIDSGSA-N 1 3 343.471 0.876 20 0 ECADHO C[C@H](C(=O)NC(=O)NC1CC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375851 545874613 /nfs/dbraw/zinc/87/46/13/545874613.db2.gz DHAQWIOJJCDIHX-CYBMUJFWSA-N 1 3 339.484 0.321 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333734324 546063106 /nfs/dbraw/zinc/06/31/06/546063106.db2.gz WPMPXOYPYAMHQC-LSDHHAIUSA-N 1 3 325.501 0.842 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000342981063 546088631 /nfs/dbraw/zinc/08/86/31/546088631.db2.gz ZPYIDENJBHJKCB-CVEARBPZSA-N 1 3 338.496 0.920 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417436256 546210822 /nfs/dbraw/zinc/21/08/22/546210822.db2.gz ZPQYZTOGRXRWJM-ZNMIVQPWSA-N 1 3 339.484 0.498 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621838255 546570819 /nfs/dbraw/zinc/57/08/19/546570819.db2.gz AULAJDFPWPNNRL-HDMKZQKVSA-N 1 3 336.480 0.707 20 0 ECADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(c3ccncc3)CC1)C2 ZINC000622025090 546606857 /nfs/dbraw/zinc/60/68/57/546606857.db2.gz KHBLBPYSDPMKIV-RDTXWAMCSA-N 1 3 343.431 0.070 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCCC[C@@H](N3CCCC3)C1)C2 ZINC000622027037 546609637 /nfs/dbraw/zinc/60/96/37/546609637.db2.gz WUXIZCPHFRCTDT-MDZRGWNJSA-N 1 3 348.491 0.803 20 0 ECADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@@H](N3CCCCC3)C1)C2 ZINC000622027439 546609684 /nfs/dbraw/zinc/60/96/84/546609684.db2.gz CAGMOITXVPYKCK-RKVPGOIHSA-N 1 3 334.464 0.413 20 0 ECADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3nc(N)nc(N)n3)cc2)C1 ZINC000623859156 546850732 /nfs/dbraw/zinc/85/07/32/546850732.db2.gz CXBSNMGZUGUOAO-GFCCVEGCSA-N 1 3 327.436 0.963 20 0 ECADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3nc(N)nc(N)n3)cc2)C1 ZINC000623859156 546850737 /nfs/dbraw/zinc/85/07/37/546850737.db2.gz CXBSNMGZUGUOAO-GFCCVEGCSA-N 1 3 327.436 0.963 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000625288976 547062351 /nfs/dbraw/zinc/06/23/51/547062351.db2.gz QLRCCBVMAQMPFQ-UHFFFAOYSA-N 1 3 348.447 0.607 20 0 ECADHO CC[NH+]1CCC(N2CCCN(CCCS(N)(=O)=O)CC2)CC1 ZINC000639689002 547395969 /nfs/dbraw/zinc/39/59/69/547395969.db2.gz XKWZKLQAZBOFKC-UHFFFAOYSA-N 1 3 332.514 0.157 20 0 ECADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000667541815 547530748 /nfs/dbraw/zinc/53/07/48/547530748.db2.gz BKTHLYYTBIVXDR-HOCLYGCPSA-N 1 3 330.432 0.897 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000668426800 547652126 /nfs/dbraw/zinc/65/21/26/547652126.db2.gz WFAHVPWHZSUAKJ-INIZCTEOSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000668499016 547670319 /nfs/dbraw/zinc/67/03/19/547670319.db2.gz ZUNVJSKEOMDBBP-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000668499016 547670325 /nfs/dbraw/zinc/67/03/25/547670325.db2.gz ZUNVJSKEOMDBBP-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(CC)C1 ZINC000668499594 547670684 /nfs/dbraw/zinc/67/06/84/547670684.db2.gz HWRSAMDNRBDMCP-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCN(C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(CC)C1 ZINC000668499594 547670689 /nfs/dbraw/zinc/67/06/89/547670689.db2.gz HWRSAMDNRBDMCP-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000668535460 547680578 /nfs/dbraw/zinc/68/05/78/547680578.db2.gz GPPLIHWEEYOJIS-KRWDZBQOSA-N 1 3 346.475 0.965 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCN(CC)C1 ZINC000668544864 547682397 /nfs/dbraw/zinc/68/23/97/547682397.db2.gz LUOOLZWQSDASSY-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCN(CC)C1 ZINC000668544864 547682398 /nfs/dbraw/zinc/68/23/98/547682398.db2.gz LUOOLZWQSDASSY-OAGGEKHMSA-N 1 3 336.480 0.672 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCc4nc[nH]c4C3)C2)CC1 ZINC000668640891 547710521 /nfs/dbraw/zinc/71/05/21/547710521.db2.gz YVEKYXMFWGXYIA-KGLIPLIRSA-N 1 3 331.464 0.799 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCc4nc[nH]c4C3)C2)CC1 ZINC000668640891 547710524 /nfs/dbraw/zinc/71/05/24/547710524.db2.gz YVEKYXMFWGXYIA-KGLIPLIRSA-N 1 3 331.464 0.799 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000668752966 547742100 /nfs/dbraw/zinc/74/21/00/547742100.db2.gz ZEAAFHGFQMOFLI-HIFRSBDPSA-N 1 3 338.496 0.822 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668797331 547752021 /nfs/dbraw/zinc/75/20/21/547752021.db2.gz ZYLAUNGLZGPBEX-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668797331 547752024 /nfs/dbraw/zinc/75/20/24/547752024.db2.gz ZYLAUNGLZGPBEX-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H]([NH3+])CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000669353330 547882177 /nfs/dbraw/zinc/88/21/77/547882177.db2.gz AHKVHESPOQWNFR-INIZCTEOSA-N 1 3 333.480 0.841 20 0 ECADHO CN1CCC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000669403412 547886079 /nfs/dbraw/zinc/88/60/79/547886079.db2.gz ZZGJLHIBZKCWLB-KGLIPLIRSA-N 1 3 325.457 0.110 20 0 ECADHO CN(C)CCOCCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669567986 547906743 /nfs/dbraw/zinc/90/67/43/547906743.db2.gz NTFDLJJCDOBJBF-CVEARBPZSA-N 1 3 326.485 0.986 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000670983957 548075735 /nfs/dbraw/zinc/07/57/35/548075735.db2.gz CRRYQVRAMIBOBL-GOEBONIOSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000670983957 548075737 /nfs/dbraw/zinc/07/57/37/548075737.db2.gz CRRYQVRAMIBOBL-GOEBONIOSA-N 1 3 336.480 0.435 20 0 ECADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000672204681 548280817 /nfs/dbraw/zinc/28/08/17/548280817.db2.gz VVGKKWPQTKWPMG-HOTGVXAUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(C)(C)C[NH+](C)C ZINC000672312460 548308928 /nfs/dbraw/zinc/30/89/28/548308928.db2.gz PCHOIQRTSCNLLM-HIFRSBDPSA-N 1 3 338.496 0.679 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C ZINC000672593561 548357738 /nfs/dbraw/zinc/35/77/38/548357738.db2.gz XWVVRXDMXXZPHN-MGLUKCQKSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C ZINC000672593561 548357743 /nfs/dbraw/zinc/35/77/43/548357743.db2.gz XWVVRXDMXXZPHN-MGLUKCQKSA-N 1 3 336.480 0.717 20 0 ECADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000672698245 548374857 /nfs/dbraw/zinc/37/48/57/548374857.db2.gz NJIVGMRYFADFLA-CVEARBPZSA-N 1 3 338.496 0.966 20 0 ECADHO COCCN1CC[C@H](NC(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000674330045 548615980 /nfs/dbraw/zinc/61/59/80/548615980.db2.gz ZWICYZNFRODNQK-AWEZNQCLSA-N 1 3 328.457 0.117 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000674330046 548616123 /nfs/dbraw/zinc/61/61/23/548616123.db2.gz ZWICYZNFRODNQK-CQSZACIVSA-N 1 3 328.457 0.117 20 0 ECADHO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000677860042 548961897 /nfs/dbraw/zinc/96/18/97/548961897.db2.gz LSJSDABQCRJDCO-IRXDYDNUSA-N 1 3 336.480 0.090 20 0 ECADHO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000677860042 548961901 /nfs/dbraw/zinc/96/19/01/548961901.db2.gz LSJSDABQCRJDCO-IRXDYDNUSA-N 1 3 336.480 0.090 20 0 ECADHO C[C@H](NC(=O)NCC(C)(C)N1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC000679684591 549116512 /nfs/dbraw/zinc/11/65/12/549116512.db2.gz PLNOFKDFENJEPV-HNNXBMFYSA-N 1 3 337.512 0.962 20 0 ECADHO C[C@H](NC(=O)NCC(C)(C)N1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000679684591 549116518 /nfs/dbraw/zinc/11/65/18/549116518.db2.gz PLNOFKDFENJEPV-HNNXBMFYSA-N 1 3 337.512 0.962 20 0 ECADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000685302084 549675860 /nfs/dbraw/zinc/67/58/60/549675860.db2.gz WVIYGDCDTQYZPG-PQEBFOHHSA-N 1 3 348.491 0.671 20 0 ECADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000685302084 549675864 /nfs/dbraw/zinc/67/58/64/549675864.db2.gz WVIYGDCDTQYZPG-PQEBFOHHSA-N 1 3 348.491 0.671 20 0 ECADHO C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCSC1 ZINC000748627671 579327334 /nfs/dbraw/zinc/32/73/34/579327334.db2.gz LNZAWAGKARWOFI-LZWOXQAQSA-N 1 3 342.509 0.586 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000728791793 578291197 /nfs/dbraw/zinc/29/11/97/578291197.db2.gz HCJXRUXCEMLPLE-UHFFFAOYSA-N 1 3 343.541 0.299 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=S)NCCC[NH+](C)C)CC1 ZINC000731490536 578312709 /nfs/dbraw/zinc/31/27/09/578312709.db2.gz MJQRPAWJIRFCTP-UHFFFAOYSA-N 1 3 343.541 0.345 20 0 ECADHO CON(C)C(=O)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000799147848 578659631 /nfs/dbraw/zinc/65/96/31/578659631.db2.gz PWQBETNUEXCNCN-UHFFFAOYSA-N 1 3 326.485 0.887 20 0 ECADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793797006 578939775 /nfs/dbraw/zinc/93/97/75/578939775.db2.gz XVUDIDCWTJEAGX-HUUCEWRRSA-N 1 3 326.485 0.824 20 0 ECADHO CN(CCCCCC[N@H+](C)[C@H]1CCN(C)C1=O)[C@H]1CCN(C)C1=O ZINC000738330039 579621033 /nfs/dbraw/zinc/62/10/33/579621033.db2.gz FYMGCNMVSITHKQ-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CCCCCC[N@@H+](C)[C@H]1CCN(C)C1=O)[C@H]1CCN(C)C1=O ZINC000738330039 579621034 /nfs/dbraw/zinc/62/10/34/579621034.db2.gz FYMGCNMVSITHKQ-HOTGVXAUSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC[NH3+])c1)N(C)C1CC1 ZINC000841045655 588976916 /nfs/dbraw/zinc/97/69/16/588976916.db2.gz NSKKMTIEVSMFGO-LBPRGKRZSA-N 1 3 334.420 0.562 20 0 ECADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc2)CC1 ZINC000841174272 588980978 /nfs/dbraw/zinc/98/09/78/588980978.db2.gz VHHQHIQHZUSVEN-AWEZNQCLSA-N 1 3 347.463 0.573 20 0 ECADHO [NH3+]CCc1ccc(CNC(=O)NC[C@H]2CCCCN2CCO)cc1 ZINC000841933318 589006523 /nfs/dbraw/zinc/00/65/23/589006523.db2.gz MLJGMKVHRORBHQ-QGZVFWFLSA-N 1 3 334.464 0.834 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842098113 589012075 /nfs/dbraw/zinc/01/20/75/589012075.db2.gz RESFXLGPJRPMAN-MAUKXSAKSA-N 1 3 336.480 0.579 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842174846 589016792 /nfs/dbraw/zinc/01/67/92/589016792.db2.gz KXQPKEGFVTUXDT-HNNXBMFYSA-N 1 3 346.475 0.795 20 0 ECADHO CCN1CCN(CCCCNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000891355900 586165023 /nfs/dbraw/zinc/16/50/23/586165023.db2.gz BMSNYCRQVPEYSA-CVEARBPZSA-N 1 3 325.501 0.973 20 0 ECADHO CCN(C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000891481115 586170651 /nfs/dbraw/zinc/17/06/51/586170651.db2.gz CXFDUXCTFWNQQY-GJZGRUSLSA-N 1 3 339.484 0.323 20 0 ECADHO CCN(C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000891481112 586170870 /nfs/dbraw/zinc/17/08/70/586170870.db2.gz CXFDUXCTFWNQQY-CABCVRRESA-N 1 3 339.484 0.323 20 0 ECADHO COCCN(C)CCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891493582 586171800 /nfs/dbraw/zinc/17/18/00/586171800.db2.gz VKURBUMIXQFABU-MNOVXSKESA-N 1 3 326.363 0.343 20 0 ECADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891517806 586173638 /nfs/dbraw/zinc/17/36/38/586173638.db2.gz MTMCFXBZECSRTA-IRXDYDNUSA-N 1 3 344.459 0.899 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891574988 586178445 /nfs/dbraw/zinc/17/84/45/586178445.db2.gz CMWRRXRYXHHGLL-SJORKVTESA-N 1 3 332.448 0.721 20 0 ECADHO CN1CCN(CCCCNC(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000891579977 586179535 /nfs/dbraw/zinc/17/95/35/586179535.db2.gz QKWKBSZBVSYQMW-UHFFFAOYSA-N 1 3 337.512 0.942 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)N1CCN(C)CC1 ZINC000891753523 586194721 /nfs/dbraw/zinc/19/47/21/586194721.db2.gz YQKVVBQBCPGRQL-YESZJQIVSA-N 1 3 337.512 0.604 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)N1CCN(C)CC1 ZINC000891753523 586194724 /nfs/dbraw/zinc/19/47/24/586194724.db2.gz YQKVVBQBCPGRQL-YESZJQIVSA-N 1 3 337.512 0.604 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891765269 586195513 /nfs/dbraw/zinc/19/55/13/586195513.db2.gz KTXVSZNEQJBXMK-FGTMMUONSA-N 1 3 344.459 0.899 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000891995702 586213621 /nfs/dbraw/zinc/21/36/21/586213621.db2.gz RXDHMNYWBWKFSH-HNNXBMFYSA-N 1 3 326.485 0.986 20 0 ECADHO COCCN(CC1CCN(C)CC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000892277931 586241889 /nfs/dbraw/zinc/24/18/89/586241889.db2.gz XYSGOUKAHZOZRX-UHFFFAOYSA-N 1 3 342.484 0.494 20 0 ECADHO O=C(NCc1cccc2c1CC[NH2+]C2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000892327038 586249533 /nfs/dbraw/zinc/24/95/33/586249533.db2.gz GSVBRRORXNWFTJ-JKSUJKDBSA-N 1 3 330.432 0.293 20 0 ECADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000892480577 586268829 /nfs/dbraw/zinc/26/88/29/586268829.db2.gz ILYJBCHRKRKADO-HUUCEWRRSA-N 1 3 326.485 0.911 20 0 ECADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)C[C@H]2N)cn1 ZINC000892487021 586269137 /nfs/dbraw/zinc/26/91/37/586269137.db2.gz UHIGHNGFELLYEK-QLFBSQMISA-N 1 3 334.468 0.634 20 0 ECADHO [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000892568706 586274272 /nfs/dbraw/zinc/27/42/72/586274272.db2.gz YELIQROEHLDVQJ-ULQDDVLXSA-N 1 3 332.448 0.790 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H]1C)CN1CCN(C)CC1 ZINC000893238340 586318673 /nfs/dbraw/zinc/31/86/73/586318673.db2.gz RMVPMRCBRFRVTD-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO C[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H]1C)CN1CCN(C)CC1 ZINC000893238340 586318676 /nfs/dbraw/zinc/31/86/76/586318676.db2.gz RMVPMRCBRFRVTD-JKSUJKDBSA-N 1 3 325.501 0.653 20 0 ECADHO COC(=O)[C@@H]1[C@@H](CN2CCC(C(=O)NCC[NH+](C)C)CC2)C1(F)F ZINC000893978596 586369082 /nfs/dbraw/zinc/36/90/82/586369082.db2.gz UGJRIPGIAUTKLT-OLZOCXBDSA-N 1 3 347.406 0.431 20 0 ECADHO COC(=O)C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000899117011 586471431 /nfs/dbraw/zinc/47/14/31/586471431.db2.gz QZGLLWWGNKFZEU-CABCVRRESA-N 1 3 342.484 0.853 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900694368 586653458 /nfs/dbraw/zinc/65/34/58/586653458.db2.gz GQSBPEPTRKIEDX-AEFFLSMTSA-N 1 3 340.512 0.223 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900694368 586653460 /nfs/dbraw/zinc/65/34/60/586653460.db2.gz GQSBPEPTRKIEDX-AEFFLSMTSA-N 1 3 340.512 0.223 20 0 ECADHO CC(C)[NH+]1CCC(O)(CNC(=O)C[C@]2(O)CCCN(C)C2)CC1 ZINC000901058201 586688711 /nfs/dbraw/zinc/68/87/11/586688711.db2.gz XVDJOLZINITNKG-QGZVFWFLSA-N 1 3 327.469 0.185 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000907454269 586722073 /nfs/dbraw/zinc/72/20/73/586722073.db2.gz AYGVYSOYXPLOPY-GOSISDBHSA-N 1 3 340.512 0.366 20 0 ECADHO CN1CCN(CCC(C)(C)NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000907454269 586722076 /nfs/dbraw/zinc/72/20/76/586722076.db2.gz AYGVYSOYXPLOPY-GOSISDBHSA-N 1 3 340.512 0.366 20 0 ECADHO CN(CC(=O)N1CCN(c2cnccn2)CC1)C1CCC([NH3+])CC1 ZINC000843354914 589063417 /nfs/dbraw/zinc/06/34/17/589063417.db2.gz LGGRQMARWPHUFH-UHFFFAOYSA-N 1 3 332.452 0.327 20 0 ECADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1C[C@H](C)C[C@@H](C)C1)C2 ZINC000903491064 586779495 /nfs/dbraw/zinc/77/94/95/586779495.db2.gz UCELSNGZDJYZIM-NSIVTLKISA-N 1 3 337.464 0.703 20 0 ECADHO COCCCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509589 586780680 /nfs/dbraw/zinc/78/06/80/586780680.db2.gz KAAMKQZFXRAEAE-OIISXLGYSA-N 1 3 338.496 0.428 20 0 ECADHO COCCCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509589 586780682 /nfs/dbraw/zinc/78/06/82/586780682.db2.gz KAAMKQZFXRAEAE-OIISXLGYSA-N 1 3 338.496 0.428 20 0 ECADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3C[C@H](N)C(C)(C)C3)C2)CC1 ZINC000903759020 586813216 /nfs/dbraw/zinc/81/32/16/586813216.db2.gz MUYRHRHKEJPZOF-GJZGRUSLSA-N 1 3 336.480 0.372 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C[C@H]1CC[NH3+] ZINC000903778125 586814100 /nfs/dbraw/zinc/81/41/00/586814100.db2.gz IZEWCTCGBGUJGL-IIDMSEBBSA-N 1 3 336.480 0.374 20 0 ECADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@H]1CCN(c2ccccn2)C1 ZINC000903923135 586826390 /nfs/dbraw/zinc/82/63/90/586826390.db2.gz MCUQUNJEOJSEJJ-LSDHHAIUSA-N 1 3 327.436 0.966 20 0 ECADHO Cc1c(C[C@@H](C[NH3+])CN2CC[C@@H](CN3CCCC3=O)C2)cnn1C ZINC000903933817 586826852 /nfs/dbraw/zinc/82/68/52/586826852.db2.gz WDWBGHPYNVKKSJ-CVEARBPZSA-N 1 3 333.480 0.790 20 0 ECADHO Cc1c(C[C@H](C[NH3+])CN2CCC(Cn3cnnc3)CC2)cnn1C ZINC000903933172 586826929 /nfs/dbraw/zinc/82/69/29/586826929.db2.gz ZRKVKHYQEUIEQW-MRXNPFEDSA-N 1 3 331.468 0.850 20 0 ECADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CCC[C@H](N3CCCC3)C1)C2 ZINC000904996697 586856685 /nfs/dbraw/zinc/85/66/85/586856685.db2.gz XVRRUSBBAOBWOU-VGWMRTNUSA-N 1 3 334.464 0.411 20 0 ECADHO C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000905363537 586889974 /nfs/dbraw/zinc/88/99/74/586889974.db2.gz YEMOXGFKILPVPZ-CQSZACIVSA-N 1 3 338.477 0.922 20 0 ECADHO C[C@H]1CN(CCCCNC(=O)C2CN(C)CC[N@H+](C)C2)C[C@H](C)O1 ZINC000906930654 586994769 /nfs/dbraw/zinc/99/47/69/586994769.db2.gz NOTPHIWHZQDMTP-HOTGVXAUSA-N 1 3 340.512 0.485 20 0 ECADHO C[C@H]1CN(CCCCNC(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000906930654 586994772 /nfs/dbraw/zinc/99/47/72/586994772.db2.gz NOTPHIWHZQDMTP-HOTGVXAUSA-N 1 3 340.512 0.485 20 0 ECADHO CCC[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CCN1CCOC ZINC000907179546 587023317 /nfs/dbraw/zinc/02/33/17/587023317.db2.gz ITZQSDWGISIMNL-QGZVFWFLSA-N 1 3 340.512 0.439 20 0 ECADHO CCC[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCN1CCOC ZINC000907179546 587023319 /nfs/dbraw/zinc/02/33/19/587023319.db2.gz ITZQSDWGISIMNL-QGZVFWFLSA-N 1 3 340.512 0.439 20 0 ECADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817942876 587393076 /nfs/dbraw/zinc/39/30/76/587393076.db2.gz GXVJPJUIVYRBEV-CRAIPNDOSA-N 1 3 334.464 0.428 20 0 ECADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000817951303 587393190 /nfs/dbraw/zinc/39/31/90/587393190.db2.gz CXTIKAYLZPCNIO-CALCHBBNSA-N 1 3 344.459 0.384 20 0 ECADHO C[NH2+]CCCN(C)C(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000817952275 587393457 /nfs/dbraw/zinc/39/34/57/587393457.db2.gz JKLPYLMAUREHCB-UHFFFAOYSA-N 1 3 334.464 0.775 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CC(C)(C)OC1=O ZINC000820086352 587508138 /nfs/dbraw/zinc/50/81/38/587508138.db2.gz ABIIIIOMGMKCDD-KBPBESRZSA-N 1 3 342.484 0.994 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CC(C)(C)OC1=O ZINC000820086352 587508139 /nfs/dbraw/zinc/50/81/39/587508139.db2.gz ABIIIIOMGMKCDD-KBPBESRZSA-N 1 3 342.484 0.994 20 0 ECADHO CCO[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN(C)C ZINC000831745704 588446737 /nfs/dbraw/zinc/44/67/37/588446737.db2.gz VFWGDMBAGBRIBI-MJGOQNOKSA-N 1 3 349.475 0.706 20 0 ECADHO CCO[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN(C)C ZINC000831745704 588446738 /nfs/dbraw/zinc/44/67/38/588446738.db2.gz VFWGDMBAGBRIBI-MJGOQNOKSA-N 1 3 349.475 0.706 20 0 ECADHO C[C@@H](CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)N(C)C ZINC000845183968 589136042 /nfs/dbraw/zinc/13/60/42/589136042.db2.gz ALVCVYBNUNZPJF-QWHCGFSZSA-N 1 3 330.473 0.898 20 0 ECADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000846144932 589188663 /nfs/dbraw/zinc/18/86/63/589188663.db2.gz KVRMXNSHPLGODN-HUUCEWRRSA-N 1 3 336.411 0.947 20 0 ECADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000848613045 589304050 /nfs/dbraw/zinc/30/40/50/589304050.db2.gz CHQAAHOMDWCTBZ-PQEBFOHHSA-N 1 3 344.459 0.396 20 0 ECADHO [NH2+]=C(NCCCN1CCN(c2ccncc2)CC1)NC[C@H]1CCCO1 ZINC000849010897 589318515 /nfs/dbraw/zinc/31/85/15/589318515.db2.gz RVZHQOXWTAWLFS-QGZVFWFLSA-N 1 3 346.479 0.887 20 0 ECADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCn1nc2n(c1=O)CCCC2 ZINC000849069453 589319238 /nfs/dbraw/zinc/31/92/38/589319238.db2.gz LBTOIHYNURCOPP-CQSZACIVSA-N 1 3 349.483 0.369 20 0 ECADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000851686094 589414032 /nfs/dbraw/zinc/41/40/32/589414032.db2.gz JCVJCQVVXGPRSP-BEFAXECRSA-N 1 3 346.475 0.739 20 0 ECADHO NC[C@@H]1CC(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)=NO1 ZINC000852795854 589512464 /nfs/dbraw/zinc/51/24/64/589512464.db2.gz JXAMZFHUZZDZFV-NEPJUHHUSA-N 1 3 346.387 0.638 20 0 ECADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000852864192 589519642 /nfs/dbraw/zinc/51/96/42/589519642.db2.gz ZFUKBFISKAPXGY-ZDUSSCGKSA-N 1 3 333.392 0.619 20 0 ECADHO NC[C@@H]1CC(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)=NO1 ZINC000852889094 589522550 /nfs/dbraw/zinc/52/25/50/589522550.db2.gz BPJRQTIKMODKCK-ZDUSSCGKSA-N 1 3 347.419 0.013 20 0 ECADHO C[C@H]([NH3+])CCNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000857110224 589687039 /nfs/dbraw/zinc/68/70/39/589687039.db2.gz RJPALQXJRXKQSR-HNNXBMFYSA-N 1 3 325.501 0.783 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867518476 589798143 /nfs/dbraw/zinc/79/81/43/589798143.db2.gz AHDRUMVGAXSWKT-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCC2(CCCN2C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000867518476 589798146 /nfs/dbraw/zinc/79/81/46/589798146.db2.gz AHDRUMVGAXSWKT-HOTGVXAUSA-N 1 3 348.491 0.626 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCC1(C)C ZINC000867743069 589834500 /nfs/dbraw/zinc/83/45/00/589834500.db2.gz HBKWNCYNSQPADY-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000861728063 589882511 /nfs/dbraw/zinc/88/25/11/589882511.db2.gz CJFIZNFFIJFQOI-HNAYVOBHSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000868567692 589914098 /nfs/dbraw/zinc/91/40/98/589914098.db2.gz WKSSQOMTZXCDAP-RDBSUJKOSA-N 1 3 342.484 0.992 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC[C@@H]21 ZINC000868782625 589927057 /nfs/dbraw/zinc/92/70/57/589927057.db2.gz BABNOUFOPFOOID-OIISXLGYSA-N 1 3 336.480 0.975 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC[C@@H]21 ZINC000868782625 589927058 /nfs/dbraw/zinc/92/70/58/589927058.db2.gz BABNOUFOPFOOID-OIISXLGYSA-N 1 3 336.480 0.975 20 0 ECADHO CC[NH+]1CCN(CCC(=O)N2CCC(N3CCOCC3)CC2)CC1 ZINC000862216664 589933357 /nfs/dbraw/zinc/93/33/57/589933357.db2.gz JLCDYYUBIFKBRZ-UHFFFAOYSA-N 1 3 338.496 0.337 20 0 ECADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000863760052 590035664 /nfs/dbraw/zinc/03/56/64/590035664.db2.gz CIOCOTZILLKXCK-LBPRGKRZSA-N 1 3 326.466 0.444 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870881843 590037018 /nfs/dbraw/zinc/03/70/18/590037018.db2.gz OIUCAZZACNQMLZ-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000870876574 590037428 /nfs/dbraw/zinc/03/74/28/590037428.db2.gz SJDWPXGNBUQUMB-FRQCXROJSA-N 1 3 343.475 0.837 20 0 ECADHO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000872146313 590097682 /nfs/dbraw/zinc/09/76/82/590097682.db2.gz LCKMAJLWNOJOOO-BRWVUGGUSA-N 1 3 338.496 0.023 20 0 ECADHO CC(C)(O)C[NH+]1CCC(NC[C@@]23COC(=O)N2CCOC3)CC1 ZINC000872261830 590109402 /nfs/dbraw/zinc/10/94/02/590109402.db2.gz ZJZOPGUJQDRZNM-MRXNPFEDSA-N 1 3 327.425 0.033 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000865808226 590159088 /nfs/dbraw/zinc/15/90/88/590159088.db2.gz DMZCJSKSEWIUGH-STQMWFEESA-N 1 3 328.457 0.652 20 0 ECADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000865808226 590159089 /nfs/dbraw/zinc/15/90/89/590159089.db2.gz DMZCJSKSEWIUGH-STQMWFEESA-N 1 3 328.457 0.652 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875167170 590277396 /nfs/dbraw/zinc/27/73/96/590277396.db2.gz JLHLGVIGDLPUCT-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875167170 590277397 /nfs/dbraw/zinc/27/73/97/590277397.db2.gz JLHLGVIGDLPUCT-CQSZACIVSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000875727843 590326274 /nfs/dbraw/zinc/32/62/74/590326274.db2.gz DNIICENQYUCQFJ-SWKXRBFHSA-N 1 3 338.496 0.918 20 0 ECADHO COC(=O)CN(C)C(=O)CCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260111 590380186 /nfs/dbraw/zinc/38/01/86/590380186.db2.gz AUGFFTOWMNEXAC-AWEZNQCLSA-N 1 3 334.420 0.614 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876748503 590408886 /nfs/dbraw/zinc/40/88/86/590408886.db2.gz DJCLMYQJVDRWPB-ALLYREJPSA-N 1 3 336.480 0.601 20 0 ECADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000876752537 590408983 /nfs/dbraw/zinc/40/89/83/590408983.db2.gz SNSSAPXMZKYIAH-ATEGUMQPSA-N 1 3 336.480 0.411 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877249014 590449245 /nfs/dbraw/zinc/44/92/45/590449245.db2.gz GUESDDQYDHDBRF-BZSNNMDCSA-N 1 3 330.476 0.998 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877249014 590449247 /nfs/dbraw/zinc/44/92/47/590449247.db2.gz GUESDDQYDHDBRF-BZSNNMDCSA-N 1 3 330.476 0.998 20 0 ECADHO C[S@@](=O)C1(C(=O)NC[C@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000877339396 590458954 /nfs/dbraw/zinc/45/89/54/590458954.db2.gz ZFHNQGIQJCDKQI-IQMFZBJNSA-N 1 3 335.473 0.318 20 0 ECADHO CN(CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)C1CCC1 ZINC000881624830 590461728 /nfs/dbraw/zinc/46/17/28/590461728.db2.gz DYQGUUQABIEOBB-UHFFFAOYSA-N 1 3 336.480 0.803 20 0 ECADHO C[C@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCN1c1cc[nH+]cc1 ZINC000881632936 590462072 /nfs/dbraw/zinc/46/20/72/590462072.db2.gz RCLSBGOZBZOLBT-DOTOQJQBSA-N 1 3 329.448 0.509 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000130623877 590600068 /nfs/dbraw/zinc/60/00/68/590600068.db2.gz IIJGVKRCVQNCJH-UHFFFAOYSA-N 1 3 341.843 0.625 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883607589 590629987 /nfs/dbraw/zinc/62/99/87/590629987.db2.gz ADODXGBGAFBQOS-XJKSGUPXSA-N 1 3 345.447 0.373 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883607589 590629990 /nfs/dbraw/zinc/62/99/90/590629990.db2.gz ADODXGBGAFBQOS-XJKSGUPXSA-N 1 3 345.447 0.373 20 0 ECADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000883638704 590636900 /nfs/dbraw/zinc/63/69/00/590636900.db2.gz UNMKDDYPGHCISM-GOEBONIOSA-N 1 3 345.447 0.329 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCN1c1ccncc1 ZINC000883638030 590636943 /nfs/dbraw/zinc/63/69/43/590636943.db2.gz BFDKIKJOZNQXRV-GDBMZVCRSA-N 1 3 345.447 0.459 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000884926012 590650759 /nfs/dbraw/zinc/65/07/59/590650759.db2.gz MBNDWGBUXXOHDE-JYJNAYRXSA-N 1 3 336.480 0.707 20 0 ECADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885291278 590705661 /nfs/dbraw/zinc/70/56/61/590705661.db2.gz KJIIFVUZBXXMIT-NEPJUHHUSA-N 1 3 346.422 0.336 20 0 ECADHO CN(C(=O)c1ccnc(N2CC[NH2+]CC2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000884213120 590776555 /nfs/dbraw/zinc/77/65/55/590776555.db2.gz UKUFSULDMAOXRK-MRXNPFEDSA-N 1 3 329.448 0.800 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000884217501 590779083 /nfs/dbraw/zinc/77/90/83/590779083.db2.gz OINWVFKRPRJOJC-INIZCTEOSA-N 1 3 346.475 0.840 20 0 ECADHO COCC[C@H](N)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000884217624 590779449 /nfs/dbraw/zinc/77/94/49/590779449.db2.gz SGEIPKXZFKZFKN-HNNXBMFYSA-N 1 3 327.469 0.890 20 0 ECADHO C[NH2+]CCOc1ccccc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000884235313 590786365 /nfs/dbraw/zinc/78/63/65/590786365.db2.gz RJELAEUBNMGNTI-INIZCTEOSA-N 1 3 348.491 0.898 20 0 ECADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884554912 590856433 /nfs/dbraw/zinc/85/64/33/590856433.db2.gz GFKAMEQRZPMRIM-UKRRQHHQSA-N 1 3 334.464 0.330 20 0 ECADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000884566236 590859136 /nfs/dbraw/zinc/85/91/36/590859136.db2.gz DTUITSPSLBTHNW-XJKSGUPXSA-N 1 3 344.459 0.150 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884576823 590861565 /nfs/dbraw/zinc/86/15/65/590861565.db2.gz RCNFSWJBVBRTEH-GJZGRUSLSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000884601287 590868016 /nfs/dbraw/zinc/86/80/16/590868016.db2.gz GYMMJEKGGKPIRN-SFHVURJKSA-N 1 3 336.480 0.579 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884617047 590872760 /nfs/dbraw/zinc/87/27/60/590872760.db2.gz GXAPESSWJKSSEO-CHWSQXEVSA-N 1 3 346.422 0.338 20 0 ECADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000884651952 590884042 /nfs/dbraw/zinc/88/40/42/590884042.db2.gz DYMPWUAJVKIHMT-ZBFHGGJFSA-N 1 3 344.459 0.715 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)NC2CCC([NH3+])CC2)CCN1c1ccncc1 ZINC000884684788 590893363 /nfs/dbraw/zinc/89/33/63/590893363.db2.gz PKSUMBYWEQZVQS-NFOMZHRRSA-N 1 3 345.447 0.505 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884692373 590898257 /nfs/dbraw/zinc/89/82/57/590898257.db2.gz VDEVWHPISHWSIZ-CABCVRRESA-N 1 3 345.447 0.235 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884720233 590908708 /nfs/dbraw/zinc/90/87/08/590908708.db2.gz IUVLHFKLVYJLNN-LSDHHAIUSA-N 1 3 347.463 0.752 20 0 ECADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000884776295 590920316 /nfs/dbraw/zinc/92/03/16/590920316.db2.gz QVPSUIRFGJPECV-KLHDSHLOSA-N 1 3 336.480 0.753 20 0 ECADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000884787558 590923496 /nfs/dbraw/zinc/92/34/96/590923496.db2.gz VNPOTCLACDUGDK-SJORKVTESA-N 1 3 344.459 0.418 20 0 ECADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000884787558 590923498 /nfs/dbraw/zinc/92/34/98/590923498.db2.gz VNPOTCLACDUGDK-SJORKVTESA-N 1 3 344.459 0.418 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884810816 590927175 /nfs/dbraw/zinc/92/71/75/590927175.db2.gz KVSLRPXNXDSIOE-VNQPRFMTSA-N 1 3 345.447 0.375 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2CC1)C1CC1 ZINC000946623179 611370472 /nfs/dbraw/zinc/37/04/72/611370472.db2.gz FXHOAOYNLNRPPZ-VVLHAWIVSA-N 1 3 348.491 0.386 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1)C1CC1 ZINC000946623179 611370477 /nfs/dbraw/zinc/37/04/77/611370477.db2.gz FXHOAOYNLNRPPZ-VVLHAWIVSA-N 1 3 348.491 0.386 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2CC1)N(C)C ZINC000946784834 611476668 /nfs/dbraw/zinc/47/66/68/611476668.db2.gz WRVABGNKRMKVAC-XHSDSOJGSA-N 1 3 338.496 0.585 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2CC1)N(C)C ZINC000946784834 611476669 /nfs/dbraw/zinc/47/66/69/611476669.db2.gz WRVABGNKRMKVAC-XHSDSOJGSA-N 1 3 338.496 0.585 20 0 ECADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCN(c3ccc4nncn4n3)C1)[NH2+]2 ZINC000925718853 611495745 /nfs/dbraw/zinc/49/57/45/611495745.db2.gz JQNAQPBVMIFYBT-XLWJZTARSA-N 1 3 327.436 0.822 20 0 ECADHO NC(=O)c1cn(CCCC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)nn1 ZINC000925690433 611495316 /nfs/dbraw/zinc/49/53/16/611495316.db2.gz JWWGUFOHIMVLMU-HUUCEWRRSA-N 1 3 334.468 0.915 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000926358842 611541231 /nfs/dbraw/zinc/54/12/31/611541231.db2.gz AUWGCDPQDKOZTJ-JJXSEGSLSA-N 1 3 336.480 0.515 20 0 ECADHO CCO[C@@H](C[NH2+]C1CCN(CCN2CCOCC2)CC1)CN(C)C ZINC000926965955 611576709 /nfs/dbraw/zinc/57/67/09/611576709.db2.gz UIBVSTUUNQPGEX-SFHVURJKSA-N 1 3 342.528 0.339 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC000954838498 608638448 /nfs/dbraw/zinc/63/84/48/608638448.db2.gz CZBYAODVCUFZLN-GUYCJALGSA-N 1 3 336.480 0.338 20 0 ECADHO CN(C)[C@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC000954838498 608638450 /nfs/dbraw/zinc/63/84/50/608638450.db2.gz CZBYAODVCUFZLN-GUYCJALGSA-N 1 3 336.480 0.338 20 0 ECADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000936915442 608732751 /nfs/dbraw/zinc/73/27/51/608732751.db2.gz ZDHUPSUKYMYPDQ-CVEARBPZSA-N 1 3 348.491 0.768 20 0 ECADHO O=C(C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)N1CC[C@H](N2CCCC2)C1 ZINC000926326928 608795246 /nfs/dbraw/zinc/79/52/46/608795246.db2.gz QJCXCKJRQCVHDW-YJBOKZPZSA-N 1 3 334.464 0.428 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000947090141 611677682 /nfs/dbraw/zinc/67/76/82/611677682.db2.gz SUVXGBFEHWNXCX-HOCLYGCPSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000947090141 611677684 /nfs/dbraw/zinc/67/76/84/611677684.db2.gz SUVXGBFEHWNXCX-HOCLYGCPSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936282189 609051771 /nfs/dbraw/zinc/05/17/71/609051771.db2.gz ALSGQBIRYZQGTM-LSDHHAIUSA-N 1 3 347.463 0.647 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936282189 609051773 /nfs/dbraw/zinc/05/17/73/609051773.db2.gz ALSGQBIRYZQGTM-LSDHHAIUSA-N 1 3 347.463 0.647 20 0 ECADHO CC[C@H](C(=O)N1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000949112997 609055643 /nfs/dbraw/zinc/05/56/43/609055643.db2.gz FBVPTFOGESIGID-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@H](C(=O)N1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000949112997 609055645 /nfs/dbraw/zinc/05/56/45/609055645.db2.gz FBVPTFOGESIGID-JKSUJKDBSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000909322229 609082150 /nfs/dbraw/zinc/08/21/50/609082150.db2.gz DFIZSIHKZLSESO-XHSDSOJGSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000938007649 609456840 /nfs/dbraw/zinc/45/68/40/609456840.db2.gz IXPRYWHFJHALOO-HRCADAONSA-N 1 3 336.480 0.386 20 0 ECADHO C[C@H]1COCCN1C1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000908316827 609649882 /nfs/dbraw/zinc/64/98/82/609649882.db2.gz SXPUCINFQHAEOQ-HNNXBMFYSA-N 1 3 338.496 0.192 20 0 ECADHO C[C@H]1COCCN1C1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000908316827 609649883 /nfs/dbraw/zinc/64/98/83/609649883.db2.gz SXPUCINFQHAEOQ-HNNXBMFYSA-N 1 3 338.496 0.192 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000938318291 609732068 /nfs/dbraw/zinc/73/20/68/609732068.db2.gz CPZJXLZRJGWRPP-VYDXJSESSA-N 1 3 338.496 0.632 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000938318291 609732070 /nfs/dbraw/zinc/73/20/70/609732070.db2.gz CPZJXLZRJGWRPP-VYDXJSESSA-N 1 3 338.496 0.632 20 0 ECADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000910963689 609783722 /nfs/dbraw/zinc/78/37/22/609783722.db2.gz UAEJURPNXHYZKY-IRXDYDNUSA-N 1 3 346.475 0.473 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)N1CCCCC1 ZINC000910946841 609785035 /nfs/dbraw/zinc/78/50/35/609785035.db2.gz QHICUACSBYOWJS-CRAIPNDOSA-N 1 3 336.480 0.722 20 0 ECADHO C[N@H+](CCCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C1CC1 ZINC000911018928 609790389 /nfs/dbraw/zinc/79/03/89/609790389.db2.gz QNMQJBOXELGJDM-IAGOWNOFSA-N 1 3 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735499876 /nfs/dbraw/zinc/49/98/76/735499876.db2.gz RLLCZBWZBIKDCU-DLBZAZTESA-N 1 3 339.480 0.809 20 0 ECADHO CN1CC[C@@H](NC[C@H]2CCCCN2C(=O)C23CCC[NH+]2CCC3)C1=O ZINC001025011072 738490777 /nfs/dbraw/zinc/49/07/77/738490777.db2.gz SWPMAZGOHUMYNJ-HZPDHXFCSA-N 1 3 348.491 0.816 20 0 ECADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC000969564110 731972089 /nfs/dbraw/zinc/97/20/89/731972089.db2.gz MDDQESWYGXQOLQ-CABCVRRESA-N 1 3 336.480 0.672 20 0 ECADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001078073464 782252339 /nfs/dbraw/zinc/25/23/39/782252339.db2.gz HSPQHLIWFPPKAX-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO C[NH+]1CCC(C(=O)N2CC[C@@H](N[C@@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000969813698 732395499 /nfs/dbraw/zinc/39/54/99/732395499.db2.gz DPFDTZQQNIYKIV-NVXWUHKLSA-N 1 3 348.491 0.672 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)n1 ZINC000969955275 732555622 /nfs/dbraw/zinc/55/56/22/732555622.db2.gz OEUMQDCYXJDTJC-XJKSGUPXSA-N 1 3 334.468 0.427 20 0 ECADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209244067 732754777 /nfs/dbraw/zinc/75/47/77/732754777.db2.gz XVZXZFYKZKITCJ-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209244067 732754781 /nfs/dbraw/zinc/75/47/81/732754781.db2.gz XVZXZFYKZKITCJ-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001209474366 732981830 /nfs/dbraw/zinc/98/18/30/732981830.db2.gz HXRCVXIUWQFUJQ-HZPDHXFCSA-N 1 3 338.496 0.679 20 0 ECADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC(=O)NCC(C)C)CC1 ZINC001206890314 733041632 /nfs/dbraw/zinc/04/16/32/733041632.db2.gz LLHDRLPNVZHFBC-UHFFFAOYSA-N 1 3 340.512 0.929 20 0 ECADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]CCOCCO)CC2)C1 ZINC001167240123 733086809 /nfs/dbraw/zinc/08/68/09/733086809.db2.gz BFESHCLZLDARFU-UHFFFAOYSA-N 1 3 341.496 0.603 20 0 ECADHO CN1CCC[C@H](N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC000970177805 733133945 /nfs/dbraw/zinc/13/39/45/733133945.db2.gz GMNLPXQIGGFSPQ-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](NCc3cncs3)C2)cn1 ZINC000970231560 733246987 /nfs/dbraw/zinc/24/69/87/733246987.db2.gz UBVCBYJTTFRZQP-CQSZACIVSA-N 1 3 348.476 0.906 20 0 ECADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC1 ZINC000970333899 733376702 /nfs/dbraw/zinc/37/67/02/733376702.db2.gz CUXLLTJQNZCLEV-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1nccc1CN[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000970357262 733395585 /nfs/dbraw/zinc/39/55/85/733395585.db2.gz MRZYRYJLCPESNM-CQSZACIVSA-N 1 3 335.452 0.221 20 0 ECADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(CCc2ccnn2C)C1 ZINC000970366188 733424905 /nfs/dbraw/zinc/42/49/05/733424905.db2.gz JRHYCTAVZBZESQ-AWEZNQCLSA-N 1 3 333.480 0.741 20 0 ECADHO COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104288384 733740655 /nfs/dbraw/zinc/74/06/55/733740655.db2.gz YGDOUAQGDNTAJG-BZUAXINKSA-N 1 3 341.496 0.552 20 0 ECADHO CNC(=O)c1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000970716875 733866104 /nfs/dbraw/zinc/86/61/04/733866104.db2.gz HJVATBAEXIJXAV-QGZVFWFLSA-N 1 3 344.459 0.833 20 0 ECADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NC)C1 ZINC001210585012 733868243 /nfs/dbraw/zinc/86/82/43/733868243.db2.gz NYHHKJUOEARCHA-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NC)C1 ZINC001210585012 733868247 /nfs/dbraw/zinc/86/82/47/733868247.db2.gz NYHHKJUOEARCHA-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO CCn1cc(CCN2CC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970874659 734034356 /nfs/dbraw/zinc/03/43/56/734034356.db2.gz LQXKPPQTKZXGTP-HOCLYGCPSA-N 1 3 333.480 0.834 20 0 ECADHO CCn1cc(CCN2CC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970874659 734034359 /nfs/dbraw/zinc/03/43/59/734034359.db2.gz LQXKPPQTKZXGTP-HOCLYGCPSA-N 1 3 333.480 0.834 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C1 ZINC000971203806 734357126 /nfs/dbraw/zinc/35/71/26/734357126.db2.gz HZSLYPDKNGQAFI-IAGOWNOFSA-N 1 3 344.459 0.912 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2)C1 ZINC000971203806 734357127 /nfs/dbraw/zinc/35/71/27/734357127.db2.gz HZSLYPDKNGQAFI-IAGOWNOFSA-N 1 3 344.459 0.912 20 0 ECADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971543526 734732039 /nfs/dbraw/zinc/73/20/39/734732039.db2.gz RFKSWYMJRXXQAW-SJORKVTESA-N 1 3 348.491 0.483 20 0 ECADHO Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC000971687995 734948909 /nfs/dbraw/zinc/94/89/09/734948909.db2.gz SDCALHAHMZGEOI-QGZVFWFLSA-N 1 3 348.495 0.912 20 0 ECADHO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC000971687995 734948913 /nfs/dbraw/zinc/94/89/13/734948913.db2.gz SDCALHAHMZGEOI-QGZVFWFLSA-N 1 3 348.495 0.912 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)CC[N@@H+]1C ZINC000972177164 735757540 /nfs/dbraw/zinc/75/75/40/735757540.db2.gz OOMNJJAHVULUJN-JYJNAYRXSA-N 1 3 334.468 0.541 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)CC[N@H+]1C ZINC000972177164 735757543 /nfs/dbraw/zinc/75/75/43/735757543.db2.gz OOMNJJAHVULUJN-JYJNAYRXSA-N 1 3 334.468 0.541 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC000972333869 735959619 /nfs/dbraw/zinc/95/96/19/735959619.db2.gz YDIXFNUQBFGBCU-RDJZCZTQSA-N 1 3 333.480 0.980 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC000972333869 735959622 /nfs/dbraw/zinc/95/96/22/735959622.db2.gz YDIXFNUQBFGBCU-RDJZCZTQSA-N 1 3 333.480 0.980 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)Cc3ccn(C)c(=O)c3)C2)C1 ZINC000972334475 735960196 /nfs/dbraw/zinc/96/01/96/735960196.db2.gz HAKHMTOWWQNDEQ-RDJZCZTQSA-N 1 3 346.475 0.760 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccn(C)c(=O)c3)C2)C1 ZINC000972334475 735960200 /nfs/dbraw/zinc/96/02/00/735960200.db2.gz HAKHMTOWWQNDEQ-RDJZCZTQSA-N 1 3 346.475 0.760 20 0 ECADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)CCN3CCCC3=O)C2)C1 ZINC000972334514 735960397 /nfs/dbraw/zinc/96/03/97/735960397.db2.gz HYDCUDIUBQWWFJ-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)CCN3CCCC3=O)C2)C1 ZINC000972334514 735960398 /nfs/dbraw/zinc/96/03/98/735960398.db2.gz HYDCUDIUBQWWFJ-HOTGVXAUSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCc3cnn(C)c3)C2)C1 ZINC000972336711 735964275 /nfs/dbraw/zinc/96/42/75/735964275.db2.gz YWCKDDHGGADNSK-DOTOQJQBSA-N 1 3 333.480 0.837 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCc3cnn(C)c3)C2)C1 ZINC000972336711 735964277 /nfs/dbraw/zinc/96/42/77/735964277.db2.gz YWCKDDHGGADNSK-DOTOQJQBSA-N 1 3 333.480 0.837 20 0 ECADHO CN(C(=O)CN1CCCC1)C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001006413800 751365698 /nfs/dbraw/zinc/36/56/98/751365698.db2.gz SAIOTSSXQAWKHD-QGZVFWFLSA-N 1 3 349.479 0.263 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCn2nc(C)nc2C)C1)N(C)C ZINC000972354787 735998030 /nfs/dbraw/zinc/99/80/30/735998030.db2.gz PFBXYOXCGYXICA-CVEARBPZSA-N 1 3 336.484 0.768 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCn2nc(C)nc2C)C1)N(C)C ZINC000972354787 735998031 /nfs/dbraw/zinc/99/80/31/735998031.db2.gz PFBXYOXCGYXICA-CVEARBPZSA-N 1 3 336.484 0.768 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](CCO)CCOC)CC1 ZINC001098572601 736282176 /nfs/dbraw/zinc/28/21/76/736282176.db2.gz QHUGHINDHDPVQB-KRWDZBQOSA-N 1 3 341.496 0.793 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCOC)CC1 ZINC001098572601 736282179 /nfs/dbraw/zinc/28/21/79/736282179.db2.gz QHUGHINDHDPVQB-KRWDZBQOSA-N 1 3 341.496 0.793 20 0 ECADHO COCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023499947 736925019 /nfs/dbraw/zinc/92/50/19/736925019.db2.gz MKSJVZUHLOLJKN-VUGNNNGISA-N 1 3 337.464 0.324 20 0 ECADHO COCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023499947 736925021 /nfs/dbraw/zinc/92/50/21/736925021.db2.gz MKSJVZUHLOLJKN-VUGNNNGISA-N 1 3 337.464 0.324 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1 ZINC001087259250 737562429 /nfs/dbraw/zinc/56/24/29/737562429.db2.gz GXAGWQNZFYGKMI-BXUZGUMPSA-N 1 3 333.436 0.496 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1 ZINC001087259250 737562448 /nfs/dbraw/zinc/56/24/48/737562448.db2.gz GXAGWQNZFYGKMI-BXUZGUMPSA-N 1 3 333.436 0.496 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNCc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001023993765 737591798 /nfs/dbraw/zinc/59/17/98/737591798.db2.gz PCGLZGARDMNZIN-IJEWVQPXSA-N 1 3 334.468 0.484 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNCc3cn(C)nn3)C2)CC[N@H+]1C ZINC001023993765 737591801 /nfs/dbraw/zinc/59/18/01/737591801.db2.gz PCGLZGARDMNZIN-IJEWVQPXSA-N 1 3 334.468 0.484 20 0 ECADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001024134635 737746070 /nfs/dbraw/zinc/74/60/70/737746070.db2.gz GINUZDBVZDNFBY-AWEZNQCLSA-N 1 3 334.468 0.485 20 0 ECADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067467337 737781353 /nfs/dbraw/zinc/78/13/53/737781353.db2.gz XFCXIBUIFDCYSG-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)CN1CCCC1 ZINC001067467337 737781356 /nfs/dbraw/zinc/78/13/56/737781356.db2.gz XFCXIBUIFDCYSG-MRXNPFEDSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001024155916 737782770 /nfs/dbraw/zinc/78/27/70/737782770.db2.gz DITICRZVSCLOBV-LSDHHAIUSA-N 1 3 334.468 0.628 20 0 ECADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001006458506 751407385 /nfs/dbraw/zinc/40/73/85/751407385.db2.gz SNIQHPSEVPWDCN-UKRRQHHQSA-N 1 3 334.464 0.140 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000973366466 739151765 /nfs/dbraw/zinc/15/17/65/739151765.db2.gz YRUMHVFAUVAVJQ-JYJNAYRXSA-N 1 3 348.491 0.720 20 0 ECADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104680049 739455794 /nfs/dbraw/zinc/45/57/94/739455794.db2.gz ONBDAUGKJVYTJT-BZUAXINKSA-N 1 3 338.496 0.539 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025780041 739938207 /nfs/dbraw/zinc/93/82/07/739938207.db2.gz MYALIPFEHVPEGB-ALYAQQCSSA-N 1 3 348.491 0.526 20 0 ECADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025780041 739938210 /nfs/dbraw/zinc/93/82/10/739938210.db2.gz MYALIPFEHVPEGB-ALYAQQCSSA-N 1 3 348.491 0.526 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025809046 739975539 /nfs/dbraw/zinc/97/55/39/739975539.db2.gz VCNYNSIHZUBELB-ALYAQQCSSA-N 1 3 348.491 0.528 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025809046 739975540 /nfs/dbraw/zinc/97/55/40/739975540.db2.gz VCNYNSIHZUBELB-ALYAQQCSSA-N 1 3 348.491 0.528 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001025813303 739984894 /nfs/dbraw/zinc/98/48/94/739984894.db2.gz AWHHKINEPGNCQU-KDEOKCCVSA-N 1 3 334.464 0.184 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001025813303 739984895 /nfs/dbraw/zinc/98/48/95/739984895.db2.gz AWHHKINEPGNCQU-KDEOKCCVSA-N 1 3 334.464 0.184 20 0 ECADHO CCCN1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](n2ccnn2)C1 ZINC001070009069 790312855 /nfs/dbraw/zinc/31/28/55/790312855.db2.gz HXQHZWCVVPYCQI-CABCVRRESA-N 1 3 346.435 0.998 20 0 ECADHO CCC[N@@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](n2ccnn2)C1 ZINC001070009069 790312863 /nfs/dbraw/zinc/31/28/63/790312863.db2.gz HXQHZWCVVPYCQI-CABCVRRESA-N 1 3 346.435 0.998 20 0 ECADHO CCC[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](n2ccnn2)C1 ZINC001070009069 790312869 /nfs/dbraw/zinc/31/28/69/790312869.db2.gz HXQHZWCVVPYCQI-CABCVRRESA-N 1 3 346.435 0.998 20 0 ECADHO CCn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC001026043977 740327727 /nfs/dbraw/zinc/32/77/27/740327727.db2.gz IOGHSERKLGCAOO-XABWRGDLSA-N 1 3 345.491 0.690 20 0 ECADHO CCn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC001026043977 740327732 /nfs/dbraw/zinc/32/77/32/740327732.db2.gz IOGHSERKLGCAOO-XABWRGDLSA-N 1 3 345.491 0.690 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C[C@@H](O)c4ccc(F)cc4)C[C@H]32)C1 ZINC001026146000 740419951 /nfs/dbraw/zinc/41/99/51/740419951.db2.gz FETARINPOSEUOB-PFPDTZPXSA-N 1 3 347.434 0.857 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C[C@@H](O)c4ccc(F)cc4)C[C@H]32)C1 ZINC001026146000 740419954 /nfs/dbraw/zinc/41/99/54/740419954.db2.gz FETARINPOSEUOB-PFPDTZPXSA-N 1 3 347.434 0.857 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104809694 740543210 /nfs/dbraw/zinc/54/32/10/740543210.db2.gz OJIKLPALDXZEAV-HZPDHXFCSA-N 1 3 329.485 0.411 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001104812552 740555762 /nfs/dbraw/zinc/55/57/62/740555762.db2.gz RTXDTVOZXXAHKO-OAGGEKHMSA-N 1 3 338.496 0.633 20 0 ECADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000974163259 741044582 /nfs/dbraw/zinc/04/45/82/741044582.db2.gz MPUSGUFPTSIRMU-QLFBSQMISA-N 1 3 345.447 0.366 20 0 ECADHO Cn1nccc1CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001026368206 741076519 /nfs/dbraw/zinc/07/65/19/741076519.db2.gz YBYZOFCSGBXCFL-IAOVAPTHSA-N 1 3 342.447 0.755 20 0 ECADHO CCCCNCc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259950 741583103 /nfs/dbraw/zinc/58/31/03/741583103.db2.gz TZNPXQSKIVMURU-MRXNPFEDSA-N 1 3 334.468 0.891 20 0 ECADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001026598312 741596607 /nfs/dbraw/zinc/59/66/07/741596607.db2.gz AAIDBXWFOVMAEL-RUXDESIVSA-N 1 3 333.436 0.556 20 0 ECADHO CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026734290 741739048 /nfs/dbraw/zinc/73/90/48/741739048.db2.gz MLDXDHUVVGZQRX-CABCVRRESA-N 1 3 334.468 0.639 20 0 ECADHO Cn1ccc(CNC[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001026846602 741952790 /nfs/dbraw/zinc/95/27/90/741952790.db2.gz CAACRAOWJBZHTG-RHSMWYFYSA-N 1 3 331.464 0.700 20 0 ECADHO Cn1ccc(CNC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001026938854 742131753 /nfs/dbraw/zinc/13/17/53/742131753.db2.gz PYJDZQUMENNCDG-OAHLLOKOSA-N 1 3 331.464 0.987 20 0 ECADHO CCn1cc(CNC[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001027045679 742361164 /nfs/dbraw/zinc/36/11/64/742361164.db2.gz XNOREUBTHJGHLG-GDBMZVCRSA-N 1 3 336.484 0.822 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001027066480 742439602 /nfs/dbraw/zinc/43/96/02/742439602.db2.gz RMVNLLNYYRKYFI-LSDHHAIUSA-N 1 3 336.480 0.435 20 0 ECADHO CCn1cc(CNC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001027105806 742574755 /nfs/dbraw/zinc/57/47/55/742574755.db2.gz SDJYBNMLYGTVKL-INIZCTEOSA-N 1 3 348.495 0.968 20 0 ECADHO COC(=O)[C@@H](CCC[NH3+])Nc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001167897463 751775702 /nfs/dbraw/zinc/77/57/02/751775702.db2.gz INHXSJUTDHBCCI-ZIAGYGMSSA-N 1 3 333.436 0.978 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001027170951 742991860 /nfs/dbraw/zinc/99/18/60/742991860.db2.gz RMYIRHOJNOMSMJ-KGLIPLIRSA-N 1 3 336.436 0.963 20 0 ECADHO COc1cc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027170951 742991862 /nfs/dbraw/zinc/99/18/62/742991862.db2.gz RMYIRHOJNOMSMJ-KGLIPLIRSA-N 1 3 336.436 0.963 20 0 ECADHO CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCc3ncnn32)CC1)N(C)C ZINC000996966876 743078024 /nfs/dbraw/zinc/07/80/24/743078024.db2.gz WQYIUZOLODACRN-DOTOQJQBSA-N 1 3 348.495 0.932 20 0 ECADHO C[C@H](NC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1nncn1C ZINC000997008450 743123156 /nfs/dbraw/zinc/12/31/56/743123156.db2.gz UVJHRCGJRPWZBF-KGLIPLIRSA-N 1 3 334.468 0.799 20 0 ECADHO C[C@H](NC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1nncn1C ZINC000997008450 743123160 /nfs/dbraw/zinc/12/31/60/743123160.db2.gz UVJHRCGJRPWZBF-KGLIPLIRSA-N 1 3 334.468 0.799 20 0 ECADHO COc1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)n1 ZINC001027217938 743195731 /nfs/dbraw/zinc/19/57/31/743195731.db2.gz TYLYFSJJWDGFTH-OAHLLOKOSA-N 1 3 347.463 0.828 20 0 ECADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001027234584 743248022 /nfs/dbraw/zinc/24/80/22/743248022.db2.gz ZSWKIFQYQBKAOY-DOTOQJQBSA-N 1 3 344.459 0.688 20 0 ECADHO CC1CCN(CC(=O)N2CCC([NH2+]Cc3cnnn3C)CC2)CC1 ZINC000997115657 743253024 /nfs/dbraw/zinc/25/30/24/743253024.db2.gz PFKPLQNLMSFHSR-UHFFFAOYSA-N 1 3 334.468 0.628 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997299881 743462708 /nfs/dbraw/zinc/46/27/08/743462708.db2.gz QVQCCGFLYYOJSV-CQSZACIVSA-N 1 3 331.464 0.862 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997299881 743462711 /nfs/dbraw/zinc/46/27/11/743462711.db2.gz QVQCCGFLYYOJSV-CQSZACIVSA-N 1 3 331.464 0.862 20 0 ECADHO CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001020589852 751854089 /nfs/dbraw/zinc/85/40/89/751854089.db2.gz FICRVZCORAPOKQ-YHUYYLMFSA-N 1 3 336.480 0.574 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001020592655 751863164 /nfs/dbraw/zinc/86/31/64/751863164.db2.gz LGILCVPPZOWHHS-DOERSZECSA-N 1 3 332.452 0.617 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001020592655 751863176 /nfs/dbraw/zinc/86/31/76/751863176.db2.gz LGILCVPPZOWHHS-DOERSZECSA-N 1 3 332.452 0.617 20 0 ECADHO Cn1nncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000997866963 743858613 /nfs/dbraw/zinc/85/86/13/743858613.db2.gz XNDHALHMXORJBP-INIZCTEOSA-N 1 3 334.468 0.628 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020592949 751865720 /nfs/dbraw/zinc/86/57/20/751865720.db2.gz SWBKQDLKKNFBCC-MXAVVETBSA-N 1 3 334.468 0.541 20 0 ECADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020592949 751865730 /nfs/dbraw/zinc/86/57/30/751865730.db2.gz SWBKQDLKKNFBCC-MXAVVETBSA-N 1 3 334.468 0.541 20 0 ECADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000998082223 743967944 /nfs/dbraw/zinc/96/79/44/743967944.db2.gz OSJGHKLWQMTZAX-GOEBONIOSA-N 1 3 336.480 0.530 20 0 ECADHO COc1coc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cc1=O ZINC000998734656 744306474 /nfs/dbraw/zinc/30/64/74/744306474.db2.gz XTASUIZFHULZGG-HIFRSBDPSA-N 1 3 349.431 0.823 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000998762871 744319445 /nfs/dbraw/zinc/31/94/45/744319445.db2.gz IVJZPIKGCCLUTH-ZBCRRDGASA-N 1 3 334.468 0.767 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000998762871 744319447 /nfs/dbraw/zinc/31/94/47/744319447.db2.gz IVJZPIKGCCLUTH-ZBCRRDGASA-N 1 3 334.468 0.767 20 0 ECADHO Cn1cncc1CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999168526 744546110 /nfs/dbraw/zinc/54/61/10/744546110.db2.gz FZCILESFEVIASJ-RDJZCZTQSA-N 1 3 331.464 0.843 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC000977195911 744747357 /nfs/dbraw/zinc/74/73/57/744747357.db2.gz JCUIBOCUDAJTDY-DNBIXMRYSA-N 1 3 348.491 0.384 20 0 ECADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001100377754 751943706 /nfs/dbraw/zinc/94/37/06/751943706.db2.gz KJHSEHZENXFTBT-RUXDESIVSA-N 1 3 330.448 0.287 20 0 ECADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999850117 744943386 /nfs/dbraw/zinc/94/33/86/744943386.db2.gz WDPQFDCCCLFNNI-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000999850117 744943389 /nfs/dbraw/zinc/94/33/89/744943389.db2.gz WDPQFDCCCLFNNI-GDBMZVCRSA-N 1 3 336.480 0.672 20 0 ECADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cncn2)C1 ZINC000999875876 744983742 /nfs/dbraw/zinc/98/37/42/744983742.db2.gz CLNMFZSPXXMROP-UYSNPLJNSA-N 1 3 334.468 0.732 20 0 ECADHO C[C@H]([NH2+][C@H]1CCNC1=O)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107064 745098355 /nfs/dbraw/zinc/09/83/55/745098355.db2.gz GSGNHADRICFVSK-ZFWWWQNUSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@@H](NCc1nncn1C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001029108182 745101391 /nfs/dbraw/zinc/10/13/91/745101391.db2.gz XVFHZTVQRNRSKE-CXAGYDPISA-N 1 3 348.495 0.872 20 0 ECADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001029147673 745168371 /nfs/dbraw/zinc/16/83/71/745168371.db2.gz ZGJRQYDATSFOJO-CJNGLKHVSA-N 1 3 336.484 0.872 20 0 ECADHO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029153473 745176022 /nfs/dbraw/zinc/17/60/22/745176022.db2.gz OHQZQJDACDVCAA-CZUORRHYSA-N 1 3 347.463 0.790 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001000190693 745326123 /nfs/dbraw/zinc/32/61/23/745326123.db2.gz HGEUEOAFKWFJPS-RDJZCZTQSA-N 1 3 346.475 0.808 20 0 ECADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000208553 745348625 /nfs/dbraw/zinc/34/86/25/745348625.db2.gz MCTGJCMZILRWMZ-LRDDRELGSA-N 1 3 328.432 0.265 20 0 ECADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000208553 745348628 /nfs/dbraw/zinc/34/86/28/745348628.db2.gz MCTGJCMZILRWMZ-LRDDRELGSA-N 1 3 328.432 0.265 20 0 ECADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000208553 745348633 /nfs/dbraw/zinc/34/86/33/745348633.db2.gz MCTGJCMZILRWMZ-LRDDRELGSA-N 1 3 328.432 0.265 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1CCc1cnn(C)c1 ZINC001088571820 751996863 /nfs/dbraw/zinc/99/68/63/751996863.db2.gz ONPVQWMHAOXRMJ-JLSDUUJJSA-N 1 3 345.491 0.883 20 0 ECADHO c1cc(-c2noc([C@@H]3C[NH2+]C[C@H]4CCO[C@H]43)n2)nc2c1CNCC2 ZINC001211932174 752037766 /nfs/dbraw/zinc/03/77/66/752037766.db2.gz SLZYSADVVXREDP-LALPHHSUSA-N 1 3 327.388 0.869 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001000919081 745898548 /nfs/dbraw/zinc/89/85/48/745898548.db2.gz PWQSCKWNUBLLAV-DLBZAZTESA-N 1 3 344.459 0.818 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCc3cccc(C(N)=O)c3)C2)C1 ZINC001000919081 745898554 /nfs/dbraw/zinc/89/85/54/745898554.db2.gz PWQSCKWNUBLLAV-DLBZAZTESA-N 1 3 344.459 0.818 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC001000926410 745905323 /nfs/dbraw/zinc/90/53/23/745905323.db2.gz NUMOYYJDROIUDA-HZPDHXFCSA-N 1 3 349.479 0.469 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001000926456 745905895 /nfs/dbraw/zinc/90/58/95/745905895.db2.gz ONARENBTBKEKNZ-NVXWUHKLSA-N 1 3 349.479 0.469 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC000978147281 745980015 /nfs/dbraw/zinc/98/00/15/745980015.db2.gz FIBWWXSEFMTHCJ-XHSDSOJGSA-N 1 3 338.496 0.726 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001059351947 746178327 /nfs/dbraw/zinc/17/83/27/746178327.db2.gz LYGKNJHFBVIRER-CVEARBPZSA-N 1 3 348.491 0.531 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCN1CCCC1=O ZINC001087828495 746431938 /nfs/dbraw/zinc/43/19/38/746431938.db2.gz MYLGBKRGCNOEAN-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCN1CCCC1=O ZINC001087828495 746431943 /nfs/dbraw/zinc/43/19/43/746431943.db2.gz MYLGBKRGCNOEAN-HRCADAONSA-N 1 3 336.480 0.530 20 0 ECADHO CCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203442717 746498604 /nfs/dbraw/zinc/49/86/04/746498604.db2.gz MHAGMKKIWMQTPR-AWEZNQCLSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cnn(C)c4)C[C@H]32)CC[N@@H+]1C ZINC000978626275 746522050 /nfs/dbraw/zinc/52/20/50/746522050.db2.gz FZGAHFMWHWRSSE-PEJOBZMASA-N 1 3 345.491 0.944 20 0 ECADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cnn(C)c4)C[C@H]32)CC[N@H+]1C ZINC000978626275 746522056 /nfs/dbraw/zinc/52/20/56/746522056.db2.gz FZGAHFMWHWRSSE-PEJOBZMASA-N 1 3 345.491 0.944 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N[C@H]2C[C@H](CNCc3cnon3)C2)C1 ZINC000984670020 746811634 /nfs/dbraw/zinc/81/16/34/746811634.db2.gz OFOHNKCJJSAZMD-YDHLFZDLSA-N 1 3 337.424 0.163 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnon3)C2)C1 ZINC000984670020 746811638 /nfs/dbraw/zinc/81/16/38/746811638.db2.gz OFOHNKCJJSAZMD-YDHLFZDLSA-N 1 3 337.424 0.163 20 0 ECADHO Cc1nocc1CNCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043862 746908615 /nfs/dbraw/zinc/90/86/15/746908615.db2.gz NCRYEUSTZYXVMJ-UHFFFAOYSA-N 1 3 334.424 0.651 20 0 ECADHO CCn1ccnc1CNCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043982 746908989 /nfs/dbraw/zinc/90/89/89/746908989.db2.gz POZWWLPXDAGOPU-UHFFFAOYSA-N 1 3 347.467 0.571 20 0 ECADHO C[C@@H]1CCCN1CC(=O)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001002083223 746960247 /nfs/dbraw/zinc/96/02/47/746960247.db2.gz JDQSSSNFYOXBRD-PBHICJAKSA-N 1 3 348.491 0.387 20 0 ECADHO CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC000984802820 746973613 /nfs/dbraw/zinc/97/36/13/746973613.db2.gz CIVVXGFRRFJVCC-VGWMRTNUSA-N 1 3 336.480 0.576 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000985032567 747285015 /nfs/dbraw/zinc/28/50/15/747285015.db2.gz VTUFIFWXCCJTAC-DZKIICNBSA-N 1 3 347.463 0.811 20 0 ECADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000985032567 747285016 /nfs/dbraw/zinc/28/50/16/747285016.db2.gz VTUFIFWXCCJTAC-DZKIICNBSA-N 1 3 347.463 0.811 20 0 ECADHO CCn1ccnc1CNC[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000985037399 747290918 /nfs/dbraw/zinc/29/09/18/747290918.db2.gz GJUJBDWMGOSJDP-SHTZXODSSA-N 1 3 331.464 0.983 20 0 ECADHO C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000979310796 747593097 /nfs/dbraw/zinc/59/30/97/747593097.db2.gz IQAJXBJSURKBSZ-YOEHRIQHSA-N 1 3 349.479 0.610 20 0 ECADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172493 747680853 /nfs/dbraw/zinc/68/08/53/747680853.db2.gz PCNMHMHRSIBAHF-XHSDSOJGSA-N 1 3 348.491 0.339 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001002792571 747793992 /nfs/dbraw/zinc/79/39/92/747793992.db2.gz QJPLZOUSXNAWAA-INIZCTEOSA-N 1 3 334.468 0.732 20 0 ECADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001002792571 747793996 /nfs/dbraw/zinc/79/39/96/747793996.db2.gz QJPLZOUSXNAWAA-INIZCTEOSA-N 1 3 334.468 0.732 20 0 ECADHO CN(C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@H]1CCCNC1=O ZINC001029778052 748350311 /nfs/dbraw/zinc/35/03/11/748350311.db2.gz ZNESRFMOGWRNNK-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO CC(C)N1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC001003497718 748611770 /nfs/dbraw/zinc/61/17/70/748611770.db2.gz WUMNARNGNCMGLR-QGZVFWFLSA-N 1 3 349.479 0.610 20 0 ECADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001088335099 748792719 /nfs/dbraw/zinc/79/27/19/748792719.db2.gz VVRGTXYLFPEJLR-HZPDHXFCSA-N 1 3 336.484 0.979 20 0 ECADHO C[N@H+](C[C@@H]1CCc2ncnn21)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786455 749097085 /nfs/dbraw/zinc/09/70/85/749097085.db2.gz DGOPOTXOBXPUTF-INIZCTEOSA-N 1 3 346.479 0.784 20 0 ECADHO C[N@@H+](C[C@@H]1CCc2ncnn21)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786455 749097092 /nfs/dbraw/zinc/09/70/92/749097092.db2.gz DGOPOTXOBXPUTF-INIZCTEOSA-N 1 3 346.479 0.784 20 0 ECADHO Cn1nncc1CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001088425058 749163503 /nfs/dbraw/zinc/16/35/03/749163503.db2.gz MILQQBDDJXULSH-GJZGRUSLSA-N 1 3 334.468 0.628 20 0 ECADHO Cn1nncc1CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088425058 749163506 /nfs/dbraw/zinc/16/35/06/749163506.db2.gz MILQQBDDJXULSH-GJZGRUSLSA-N 1 3 334.468 0.628 20 0 ECADHO CCN(CC)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059673523 749327894 /nfs/dbraw/zinc/32/78/94/749327894.db2.gz ATOABHDPTOPDND-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO CCN(CC)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001059673523 749327900 /nfs/dbraw/zinc/32/79/00/749327900.db2.gz ATOABHDPTOPDND-CVEARBPZSA-N 1 3 338.496 0.635 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC001059678052 749386901 /nfs/dbraw/zinc/38/69/01/749386901.db2.gz NSWHPALYHUAFGI-HZPDHXFCSA-N 1 3 336.480 0.389 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC001059678052 749386910 /nfs/dbraw/zinc/38/69/10/749386910.db2.gz NSWHPALYHUAFGI-HZPDHXFCSA-N 1 3 336.480 0.389 20 0 ECADHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)CCn2cncn2)C1)[NH+]1CCCC1 ZINC000980490388 749647227 /nfs/dbraw/zinc/64/72/27/749647227.db2.gz KCIURMBAMQFIOU-DLBZAZTESA-N 1 3 348.495 0.931 20 0 ECADHO CNC(=O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004618446 749695238 /nfs/dbraw/zinc/69/52/38/749695238.db2.gz WVQQPUAJCQGCLD-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO CNC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004618446 749695242 /nfs/dbraw/zinc/69/52/42/749695242.db2.gz WVQQPUAJCQGCLD-INIZCTEOSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)CN(C)C1CCC1 ZINC000986357991 749816416 /nfs/dbraw/zinc/81/64/16/749816416.db2.gz VFGRQEZIBVJYAN-HIFRSBDPSA-N 1 3 337.468 0.075 20 0 ECADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)NCC2CC2)CC1 ZINC001167814971 749842331 /nfs/dbraw/zinc/84/23/31/749842331.db2.gz KYVCIOCYJORFLN-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CCn1cc(CC[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)cn1 ZINC000987070025 750437559 /nfs/dbraw/zinc/43/75/59/750437559.db2.gz RQSPGLZWKUAQQJ-CJNGLKHVSA-N 1 3 330.436 0.990 20 0 ECADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)n1 ZINC000987523457 750941584 /nfs/dbraw/zinc/94/15/84/750941584.db2.gz JPQYZLXVAKLISZ-BBRMVZONSA-N 1 3 334.468 0.570 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001020929042 752349683 /nfs/dbraw/zinc/34/96/83/752349683.db2.gz SXNPXQRSPOEUFG-MRVWCRGKSA-N 1 3 332.452 0.761 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](NCc3n[nH]c(C4CC4)n3)C2)C1 ZINC001020929042 752349692 /nfs/dbraw/zinc/34/96/92/752349692.db2.gz SXNPXQRSPOEUFG-MRVWCRGKSA-N 1 3 332.452 0.761 20 0 ECADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)c1 ZINC001021091455 752532225 /nfs/dbraw/zinc/53/22/25/752532225.db2.gz VZBGMGLTTNUODE-QAQDUYKDSA-N 1 3 342.447 0.890 20 0 ECADHO CC[C@H](C)C[NH2+]Cc1cn(C2CN(C(=O)CN3CCCC3)C2)nn1 ZINC001105372362 753673841 /nfs/dbraw/zinc/67/38/41/753673841.db2.gz BKHHQYNWDJIKID-AWEZNQCLSA-N 1 3 334.468 0.893 20 0 ECADHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C)NC(=O)CC1CC[NH+](C)CC1 ZINC001075942908 753957671 /nfs/dbraw/zinc/95/76/71/753957671.db2.gz VIFZSNDGOCAGFO-HOCLYGCPSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001168345308 754763315 /nfs/dbraw/zinc/76/33/15/754763315.db2.gz OWFVPBXHQPTIAS-CQSZACIVSA-N 1 3 326.485 0.679 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCCC2)CC1 ZINC000990243697 754892512 /nfs/dbraw/zinc/89/25/12/754892512.db2.gz JGNJGOZVNLMMFI-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO CN1CCC[C@@H](N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028777975 755085536 /nfs/dbraw/zinc/08/55/36/755085536.db2.gz ABFMSTNTPFFRQJ-GOEBONIOSA-N 1 3 336.480 0.387 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001051600597 762437728 /nfs/dbraw/zinc/43/77/28/762437728.db2.gz YCDFGAVUPDISQA-ZFWWWQNUSA-N 1 3 349.479 0.956 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001051600597 762437734 /nfs/dbraw/zinc/43/77/34/762437734.db2.gz YCDFGAVUPDISQA-ZFWWWQNUSA-N 1 3 349.479 0.956 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC001014284378 762441394 /nfs/dbraw/zinc/44/13/94/762441394.db2.gz BESAMEWGOKDXGM-JOQOYGCGSA-N 1 3 345.447 0.544 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC001014284378 762441395 /nfs/dbraw/zinc/44/13/95/762441395.db2.gz BESAMEWGOKDXGM-JOQOYGCGSA-N 1 3 345.447 0.544 20 0 ECADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccn(C)c(=O)c1 ZINC001088835524 756953090 /nfs/dbraw/zinc/95/30/90/756953090.db2.gz AKQGCQXQDSERAD-PBHICJAKSA-N 1 3 346.475 0.806 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)C1CC1 ZINC001011178276 757131123 /nfs/dbraw/zinc/13/11/23/757131123.db2.gz SNZZPPYRWWDXOI-IAGOWNOFSA-N 1 3 348.491 0.339 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN([C@H](C)C(=O)NC)C[C@H]3C2)CC[N@@H+]1C ZINC001048830737 757132379 /nfs/dbraw/zinc/13/23/79/757132379.db2.gz RPESRZJIRVKPPD-RBGFHDKUSA-N 1 3 336.480 0.241 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN([C@H](C)C(=O)NC)C[C@H]3C2)CC[N@H+]1C ZINC001048830737 757132383 /nfs/dbraw/zinc/13/23/83/757132383.db2.gz RPESRZJIRVKPPD-RBGFHDKUSA-N 1 3 336.480 0.241 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1)N(C)C ZINC000996250790 757177560 /nfs/dbraw/zinc/17/75/60/757177560.db2.gz YBZNJBLUTFUTNZ-LSDHHAIUSA-N 1 3 336.484 0.691 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2C1)N(C)C ZINC001048888755 757303906 /nfs/dbraw/zinc/30/39/06/757303906.db2.gz WZGWWRFHFDINTA-XUWVNRHRSA-N 1 3 346.479 0.496 20 0 ECADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2C1)N(C)C ZINC001048888755 757303939 /nfs/dbraw/zinc/30/39/39/757303939.db2.gz WZGWWRFHFDINTA-XUWVNRHRSA-N 1 3 346.479 0.496 20 0 ECADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)[NH+](C)C ZINC001011263804 757328854 /nfs/dbraw/zinc/32/88/54/757328854.db2.gz MLKSUSBZHJLMEN-HOTGVXAUSA-N 1 3 338.496 0.584 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)C1CC1 ZINC001011263662 757329224 /nfs/dbraw/zinc/32/92/24/757329224.db2.gz CSFONFUAWGSODB-OAHLLOKOSA-N 1 3 334.464 0.093 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC001011263954 757330902 /nfs/dbraw/zinc/33/09/02/757330902.db2.gz UBONWGJNLIRIRA-WMLDXEAASA-N 1 3 336.480 0.339 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC001011263954 757330915 /nfs/dbraw/zinc/33/09/15/757330915.db2.gz UBONWGJNLIRIRA-WMLDXEAASA-N 1 3 336.480 0.339 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCN2CCNC2=O)C(C)(C)C1)N(C)C ZINC000996315926 757350778 /nfs/dbraw/zinc/35/07/78/757350778.db2.gz UQILWZBOWYFKGU-UONOGXRCSA-N 1 3 339.484 0.178 20 0 ECADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C 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CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660509 763152185 /nfs/dbraw/zinc/15/21/85/763152185.db2.gz ZFILJWRYKSUPJS-MGPQQGTHSA-N 1 3 326.485 0.726 20 0 ECADHO CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660509 763152193 /nfs/dbraw/zinc/15/21/93/763152193.db2.gz ZFILJWRYKSUPJS-MGPQQGTHSA-N 1 3 326.485 0.726 20 0 ECADHO Cc1nc([C@@H](C)NC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n[nH]1 ZINC001051904592 763289818 /nfs/dbraw/zinc/28/98/18/763289818.db2.gz RILOVWUDMVNCSA-OCCSQVGLSA-N 1 3 348.451 0.087 20 0 ECADHO Cc1nc([C@H](C)NC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n[nH]1 ZINC001051904591 763290295 /nfs/dbraw/zinc/29/02/95/763290295.db2.gz RILOVWUDMVNCSA-JSGCOSHPSA-N 1 3 348.451 0.087 20 0 ECADHO Cc1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)sn1 ZINC001051932441 763373995 /nfs/dbraw/zinc/37/39/95/763373995.db2.gz QKQCPZUJNMEVIM-ZIAGYGMSSA-N 1 3 338.477 0.720 20 0 ECADHO Cc1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)sn1 ZINC001051932441 763374006 /nfs/dbraw/zinc/37/40/06/763374006.db2.gz QKQCPZUJNMEVIM-ZIAGYGMSSA-N 1 3 338.477 0.720 20 0 ECADHO CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046958886 763463484 /nfs/dbraw/zinc/46/34/84/763463484.db2.gz RPNHXFVLBJPEMJ-MYMJJRTCSA-N 1 3 343.418 0.943 20 0 ECADHO CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046958886 763463486 /nfs/dbraw/zinc/46/34/86/763463486.db2.gz RPNHXFVLBJPEMJ-MYMJJRTCSA-N 1 3 343.418 0.943 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000995150609 763757579 /nfs/dbraw/zinc/75/75/79/763757579.db2.gz FBNQXCJJFRZQRF-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000995150609 763757587 /nfs/dbraw/zinc/75/75/87/763757587.db2.gz FBNQXCJJFRZQRF-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CCN1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000991895259 764459921 /nfs/dbraw/zinc/45/99/21/764459921.db2.gz RSFLWJRDLAOUJD-IRXDYDNUSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)C1 ZINC001060408253 764738465 /nfs/dbraw/zinc/73/84/65/764738465.db2.gz GCEDDBFDJUEHGO-JKSUJKDBSA-N 1 3 338.496 0.635 20 0 ECADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CN(CCc2ccccc2)C[C@@H]1O ZINC001047598984 764834707 /nfs/dbraw/zinc/83/47/07/764834707.db2.gz YKVJNIBXTZMCDY-ROUUACIJSA-N 1 3 343.471 0.828 20 0 ECADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001047627221 764923329 /nfs/dbraw/zinc/92/33/29/764923329.db2.gz INSYIVSMFNEUAT-JYJNAYRXSA-N 1 3 338.496 0.776 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001052662065 764956066 /nfs/dbraw/zinc/95/60/66/764956066.db2.gz QNJIMWSLNTUDJC-HUUCEWRRSA-N 1 3 326.485 0.491 20 0 ECADHO CN1CC[C@@H](N2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001052680336 764986373 /nfs/dbraw/zinc/98/63/73/764986373.db2.gz JBJXVDWBOLFJTG-HZPDHXFCSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1)C1CCC1 ZINC000992008164 765144788 /nfs/dbraw/zinc/14/47/88/765144788.db2.gz HOHOKEJZNPOEOA-DLBZAZTESA-N 1 3 348.491 0.815 20 0 ECADHO CN(CC(=O)N1CC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1)C1CCC1 ZINC000992008164 765144792 /nfs/dbraw/zinc/14/47/92/765144792.db2.gz HOHOKEJZNPOEOA-DLBZAZTESA-N 1 3 348.491 0.815 20 0 ECADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001052815795 765174050 /nfs/dbraw/zinc/17/40/50/765174050.db2.gz XASXQSCPVGZCQM-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO CCN1CC[C@H](N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001052871630 765266686 /nfs/dbraw/zinc/26/66/86/765266686.db2.gz LWBMXIPRJUDDKZ-CVEARBPZSA-N 1 3 348.491 0.674 20 0 ECADHO Cc1nc(CN[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C)n[nH]1 ZINC001054790908 768278150 /nfs/dbraw/zinc/27/81/50/768278150.db2.gz LYGCTMGYWVXFQH-ZFWWWQNUSA-N 1 3 346.479 0.926 20 0 ECADHO CC[C@@H](CN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)OC ZINC001015827531 765390672 /nfs/dbraw/zinc/39/06/72/765390672.db2.gz SDPLMKDLKYOCRP-HOTGVXAUSA-N 1 3 337.468 0.674 20 0 ECADHO Cn1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001015998035 765692518 /nfs/dbraw/zinc/69/25/18/765692518.db2.gz LFUBRBYPALIFTP-HOCLYGCPSA-N 1 3 332.448 0.418 20 0 ECADHO Cn1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001015998035 765692523 /nfs/dbraw/zinc/69/25/23/765692523.db2.gz LFUBRBYPALIFTP-HOCLYGCPSA-N 1 3 332.448 0.418 20 0 ECADHO O=C(N[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C1)C12CC[NH+](CC1)C2 ZINC001016003505 765701532 /nfs/dbraw/zinc/70/15/32/765701532.db2.gz IUVZGXGLEPIFEW-KGLIPLIRSA-N 1 3 330.436 0.052 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCc1ccnn1C ZINC001054853887 768338204 /nfs/dbraw/zinc/33/82/04/768338204.db2.gz LGZBJWQDTDQYIV-ZBFHGGJFSA-N 1 3 331.464 0.985 20 0 ECADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001053362386 766034649 /nfs/dbraw/zinc/03/46/49/766034649.db2.gz RYANJJRRQNFJBG-HUUCEWRRSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCC(=O)N1CCC1 ZINC001054854724 768341237 /nfs/dbraw/zinc/34/12/37/768341237.db2.gz XNDNKZHWDPHGRN-CABCVRRESA-N 1 3 334.464 0.284 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001077516479 766375301 /nfs/dbraw/zinc/37/53/01/766375301.db2.gz NVMSYTYOQDCCBB-ZFWWWQNUSA-N 1 3 326.485 0.679 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H]2CCc3ncnn32)C1 ZINC001031665961 766387970 /nfs/dbraw/zinc/38/79/70/766387970.db2.gz JTCJNHLHHVARQS-HZPDHXFCSA-N 1 3 346.479 0.686 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H]2CCc3ncnn32)C1 ZINC001031665961 766387978 /nfs/dbraw/zinc/38/79/78/766387978.db2.gz JTCJNHLHHVARQS-HZPDHXFCSA-N 1 3 346.479 0.686 20 0 ECADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCN2CCNC2=O)C1 ZINC001045891327 766474423 /nfs/dbraw/zinc/47/44/23/766474423.db2.gz MEZVXSXDLZKTKL-XHSDSOJGSA-N 1 3 349.479 0.029 20 0 ECADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCN2CCNC2=O)C1 ZINC001045891327 766474429 /nfs/dbraw/zinc/47/44/29/766474429.db2.gz MEZVXSXDLZKTKL-XHSDSOJGSA-N 1 3 349.479 0.029 20 0 ECADHO CN(CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000938316350 766817020 /nfs/dbraw/zinc/81/70/20/766817020.db2.gz DKMMCJAPPVCTMO-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000938316350 766817031 /nfs/dbraw/zinc/81/70/31/766817031.db2.gz DKMMCJAPPVCTMO-GJZGRUSLSA-N 1 3 336.480 0.530 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CCN([C@H]2CC[N@H+](CCF)C2)CC1 ZINC001046077733 766909180 /nfs/dbraw/zinc/90/91/80/766909180.db2.gz YGMUPEPLMJPVMN-HNNXBMFYSA-N 1 3 349.454 0.949 20 0 ECADHO CN(C)c1ccncc1C(=O)N1CCN([C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001046077733 766909184 /nfs/dbraw/zinc/90/91/84/766909184.db2.gz YGMUPEPLMJPVMN-HNNXBMFYSA-N 1 3 349.454 0.949 20 0 ECADHO COC[C@H](C)N1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031730851 766914829 /nfs/dbraw/zinc/91/48/29/766914829.db2.gz ZWXUQNYXCODHCC-WMLDXEAASA-N 1 3 339.480 0.713 20 0 ECADHO COC[C@H](C)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031730851 766914830 /nfs/dbraw/zinc/91/48/30/766914830.db2.gz ZWXUQNYXCODHCC-WMLDXEAASA-N 1 3 339.480 0.713 20 0 ECADHO COC[C@@H](C)[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081702 766920147 /nfs/dbraw/zinc/92/01/47/766920147.db2.gz JGMVWQDIZPNFGV-SJORKVTESA-N 1 3 338.496 0.336 20 0 ECADHO COC[C@@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081702 766920148 /nfs/dbraw/zinc/92/01/48/766920148.db2.gz JGMVWQDIZPNFGV-SJORKVTESA-N 1 3 338.496 0.336 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCCOC)C[C@H]2OC)CC[N@@H+]1C ZINC001212300084 767188014 /nfs/dbraw/zinc/18/80/14/767188014.db2.gz WSTXDTNWKGQVJR-YLFCFFPRSA-N 1 3 341.496 0.959 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCCOC)C[C@H]2OC)CC[N@H+]1C ZINC001212300084 767188016 /nfs/dbraw/zinc/18/80/16/767188016.db2.gz WSTXDTNWKGQVJR-YLFCFFPRSA-N 1 3 341.496 0.959 20 0 ECADHO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820760 767318738 /nfs/dbraw/zinc/31/87/38/767318738.db2.gz OPVXQSGCQXGDKL-LLLHUVSDSA-N 1 3 348.491 0.386 20 0 ECADHO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820760 767318740 /nfs/dbraw/zinc/31/87/40/767318740.db2.gz OPVXQSGCQXGDKL-LLLHUVSDSA-N 1 3 348.491 0.386 20 0 ECADHO CN1CC[C@@H](N2CCC3(C[C@@H]3NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001016937596 767354567 /nfs/dbraw/zinc/35/45/67/767354567.db2.gz ZKUSECILVAQGPB-CABCVRRESA-N 1 3 346.475 0.284 20 0 ECADHO C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463791 767475766 /nfs/dbraw/zinc/47/57/66/767475766.db2.gz GGJBIJZEFWTAMV-UONOGXRCSA-N 1 3 333.436 0.259 20 0 ECADHO C[N@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001060463791 767475771 /nfs/dbraw/zinc/47/57/71/767475771.db2.gz GGJBIJZEFWTAMV-UONOGXRCSA-N 1 3 333.436 0.259 20 0 ECADHO C[NH+]1CCC(C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001060463570 767486698 /nfs/dbraw/zinc/48/66/98/767486698.db2.gz YICYSZSAJKXGLA-CQSZACIVSA-N 1 3 347.463 0.649 20 0 ECADHO Cn1nncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC000992833967 767662695 /nfs/dbraw/zinc/66/26/95/767662695.db2.gz MMJDHPHAMQOWQI-VBNZEHGJSA-N 1 3 343.435 0.498 20 0 ECADHO CN(C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCN(C)C1=O ZINC001017250740 767769682 /nfs/dbraw/zinc/76/96/82/767769682.db2.gz IZSGSQNIFXILSI-HZPDHXFCSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNCc1ccn(C)n1 ZINC001106592391 768475298 /nfs/dbraw/zinc/47/52/98/768475298.db2.gz QSAXYWNFGLQLQY-HUUCEWRRSA-N 1 3 333.480 0.946 20 0 ECADHO COc1cncc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001106626923 768525858 /nfs/dbraw/zinc/52/58/58/768525858.db2.gz OACPJLASGLDQCN-ZIAGYGMSSA-N 1 3 335.452 0.621 20 0 ECADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106634520 768532536 /nfs/dbraw/zinc/53/25/36/768532536.db2.gz FWMSWQHNEWGJNV-IIAWOOMASA-N 1 3 326.485 0.393 20 0 ECADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106634813 768532667 /nfs/dbraw/zinc/53/26/67/768532667.db2.gz NMWUERWQUNVMFW-RBSFLKMASA-N 1 3 347.525 0.301 20 0 ECADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCOCCO ZINC001106668781 768583039 /nfs/dbraw/zinc/58/30/39/768583039.db2.gz PKFUIKGDGUTZEB-HZPDHXFCSA-N 1 3 341.496 0.411 20 0 ECADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1)N(C)C ZINC001106674484 768584521 /nfs/dbraw/zinc/58/45/21/768584521.db2.gz XPDDNISGIBJISX-KFWWJZLASA-N 1 3 326.485 0.535 20 0 ECADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)NC(C)(C)C ZINC001106705052 768694363 /nfs/dbraw/zinc/69/43/63/768694363.db2.gz PKRSRBBFWOOKJJ-HZSPNIEDSA-N 1 3 349.479 0.940 20 0 ECADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000993840612 769734516 /nfs/dbraw/zinc/73/45/16/769734516.db2.gz DYQMPBNEFQWGTQ-ZIAGYGMSSA-N 1 3 336.480 0.671 20 0 ECADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000993878488 769777193 /nfs/dbraw/zinc/77/71/93/769777193.db2.gz KQJHCOYLTBVUOZ-INIZCTEOSA-N 1 3 336.480 0.530 20 0 ECADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018968153 770426590 /nfs/dbraw/zinc/42/65/90/770426590.db2.gz WHTXAZXXEFZKPW-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018968153 770426596 /nfs/dbraw/zinc/42/65/96/770426596.db2.gz WHTXAZXXEFZKPW-JKSUJKDBSA-N 1 3 336.480 0.672 20 0 ECADHO CN(CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)C1CCC1 ZINC001018972694 770437444 /nfs/dbraw/zinc/43/74/44/770437444.db2.gz JZJIRNUIRINXGS-KGLIPLIRSA-N 1 3 343.493 0.096 20 0 ECADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083749702 770563507 /nfs/dbraw/zinc/56/35/07/770563507.db2.gz NFJGYIZYAPQCNB-BBWFWOEESA-N 1 3 339.480 0.449 20 0 ECADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001019168551 770980726 /nfs/dbraw/zinc/98/07/26/770980726.db2.gz JDHIVOFWPJYXNF-VIHIWDAPSA-N 1 3 342.443 0.635 20 0 ECADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001019232161 771036197 /nfs/dbraw/zinc/03/61/97/771036197.db2.gz MDDQESWYGXQOLQ-GJZGRUSLSA-N 1 3 336.480 0.672 20 0 ECADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCc3n[nH]c(C)n3)C2)C1 ZINC001019274851 771087247 /nfs/dbraw/zinc/08/72/47/771087247.db2.gz RQZRRDMCCIIZHM-CABCVRRESA-N 1 3 334.468 0.926 20 0 ECADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCc3n[nH]c(C)n3)C2)C1 ZINC001019274851 771087250 /nfs/dbraw/zinc/08/72/50/771087250.db2.gz RQZRRDMCCIIZHM-CABCVRRESA-N 1 3 334.468 0.926 20 0 ECADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCn2c(C)csc2=O)C1)N(C)C ZINC001019394964 771246812 /nfs/dbraw/zinc/24/68/12/771246812.db2.gz UBYUAFGBJCRBIW-KBPBESRZSA-N 1 3 340.493 0.749 20 0 ECADHO C[C@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)N1CCCCC1 ZINC001127466514 771284748 /nfs/dbraw/zinc/28/47/48/771284748.db2.gz TXJVAOYZTYWUKZ-HOCLYGCPSA-N 1 3 336.480 0.435 20 0 ECADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN(C(=O)CN2CCCC2)C3)C1 ZINC001019443477 771294949 /nfs/dbraw/zinc/29/49/49/771294949.db2.gz PWSCANBQTLIYBA-MRXNPFEDSA-N 1 3 348.491 0.485 20 0 ECADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)CN2CCCC2)C3)C1 ZINC001019443477 771294954 /nfs/dbraw/zinc/29/49/54/771294954.db2.gz PWSCANBQTLIYBA-MRXNPFEDSA-N 1 3 348.491 0.485 20 0 ECADHO CN(C)c1cc(CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)ccn1 ZINC001127473715 771302927 /nfs/dbraw/zinc/30/29/27/771302927.db2.gz DDHYQSCRDVGNDI-MRXNPFEDSA-N 1 3 331.464 0.695 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001020151259 772220902 /nfs/dbraw/zinc/22/09/02/772220902.db2.gz QJHRRJBBYCAQOZ-KLHDSHLOSA-N 1 3 346.479 0.909 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001020151259 772220904 /nfs/dbraw/zinc/22/09/04/772220904.db2.gz QJHRRJBBYCAQOZ-KLHDSHLOSA-N 1 3 346.479 0.909 20 0 ECADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001020162064 772231715 /nfs/dbraw/zinc/23/17/15/772231715.db2.gz YPLQHQICARVCOV-IIAWOOMASA-N 1 3 332.452 0.377 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CN1CCC[C@H]1C ZINC001078466340 783000327 /nfs/dbraw/zinc/00/03/27/783000327.db2.gz ZDGOBVAHGCLCTN-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CN1CCC[C@H]1C ZINC001078466340 783000330 /nfs/dbraw/zinc/00/03/30/783000330.db2.gz ZDGOBVAHGCLCTN-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001020316634 772438190 /nfs/dbraw/zinc/43/81/90/772438190.db2.gz QAAVPAZOOVTJMQ-JOCQHMNTSA-N 1 3 339.403 0.752 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020406972 772550741 /nfs/dbraw/zinc/55/07/41/772550741.db2.gz IASQRGWGRVPGDE-SUAGGUKUSA-N 1 3 346.431 0.583 20 0 ECADHO Cc1ncoc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020406972 772550742 /nfs/dbraw/zinc/55/07/42/772550742.db2.gz IASQRGWGRVPGDE-SUAGGUKUSA-N 1 3 346.431 0.583 20 0 ECADHO CCn1nncc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044857607 774681073 /nfs/dbraw/zinc/68/10/73/774681073.db2.gz LRIVUBSPHBJKTE-HUUCEWRRSA-N 1 3 334.468 0.863 20 0 ECADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1)C1CC1 ZINC001045067884 774926797 /nfs/dbraw/zinc/92/67/97/774926797.db2.gz UDYUYTUMJKNWSV-FUHWJXTLSA-N 1 3 346.475 0.806 20 0 ECADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1)C1CC1 ZINC001045067885 774926884 /nfs/dbraw/zinc/92/68/84/774926884.db2.gz UDYUYTUMJKNWSV-WMZOPIPTSA-N 1 3 346.475 0.806 20 0 ECADHO CN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CCC(C)(C)C2)C1=O ZINC001045202787 775134850 /nfs/dbraw/zinc/13/48/50/775134850.db2.gz WVIZZMPTRJRUKC-LSDHHAIUSA-N 1 3 336.480 0.530 20 0 ECADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001045322397 775412621 /nfs/dbraw/zinc/41/26/21/775412621.db2.gz FTOROEULJYUNCW-HNNXBMFYSA-N 1 3 334.468 0.772 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001079816759 776931233 /nfs/dbraw/zinc/93/12/33/776931233.db2.gz RYCXWUXNRSORFK-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001079816759 776931236 /nfs/dbraw/zinc/93/12/36/776931236.db2.gz RYCXWUXNRSORFK-OAHLLOKOSA-N 1 3 338.496 0.729 20 0 ECADHO CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079945007 777122757 /nfs/dbraw/zinc/12/27/57/777122757.db2.gz BRNZGQCLCLOPMX-QGZVFWFLSA-N 1 3 338.496 0.728 20 0 ECADHO CCN(C(=O)CN(C)C1CCC1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079966841 777168407 /nfs/dbraw/zinc/16/84/07/777168407.db2.gz KPIHYERJTZTIAT-UHFFFAOYSA-N 1 3 348.491 0.626 20 0 ECADHO CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080028025 777259095 /nfs/dbraw/zinc/25/90/95/777259095.db2.gz KUEKCQNMUHKHGS-UHFFFAOYSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001080533341 777974265 /nfs/dbraw/zinc/97/42/65/777974265.db2.gz ARACSWGOKORMPV-HNNXBMFYSA-N 1 3 326.485 0.728 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001080533341 777974270 /nfs/dbraw/zinc/97/42/70/777974270.db2.gz ARACSWGOKORMPV-HNNXBMFYSA-N 1 3 326.485 0.728 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC001078479380 779949070 /nfs/dbraw/zinc/94/90/70/779949070.db2.gz XXANLCBTFQIDRL-HOTGVXAUSA-N 1 3 336.436 0.728 20 0 ECADHO C[C@@H](CCNC(=O)CN1CCC(C)(C)C1)NC(=O)CC[NH+](C)C ZINC001078480911 779954534 /nfs/dbraw/zinc/95/45/34/779954534.db2.gz CGTZBSREJSUZHI-AWEZNQCLSA-N 1 3 326.485 0.681 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078498907 780021215 /nfs/dbraw/zinc/02/12/15/780021215.db2.gz RKSAYBAHRHWDES-WBVHZDCISA-N 1 3 349.479 0.469 20 0 ECADHO Cn1nccc1CNC[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078498907 780021224 /nfs/dbraw/zinc/02/12/24/780021224.db2.gz RKSAYBAHRHWDES-WBVHZDCISA-N 1 3 349.479 0.469 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078498905 780021464 /nfs/dbraw/zinc/02/14/64/780021464.db2.gz RKSAYBAHRHWDES-NVXWUHKLSA-N 1 3 349.479 0.469 20 0 ECADHO Cn1nccc1CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078498905 780021474 /nfs/dbraw/zinc/02/14/74/780021474.db2.gz RKSAYBAHRHWDES-NVXWUHKLSA-N 1 3 349.479 0.469 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001078500956 780028519 /nfs/dbraw/zinc/02/85/19/780028519.db2.gz SXZGYGSOZTUXOX-KKUMJFAQSA-N 1 3 326.485 0.679 20 0 ECADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001078500956 780028527 /nfs/dbraw/zinc/02/85/27/780028527.db2.gz SXZGYGSOZTUXOX-KKUMJFAQSA-N 1 3 326.485 0.679 20 0 ECADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508844 780054445 /nfs/dbraw/zinc/05/44/45/780054445.db2.gz ZHBBNYPTYIYMRS-DOTOQJQBSA-N 1 3 349.479 0.387 20 0 ECADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078508844 780054454 /nfs/dbraw/zinc/05/44/54/780054454.db2.gz ZHBBNYPTYIYMRS-DOTOQJQBSA-N 1 3 349.479 0.387 20 0 ECADHO CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070194654 783632331 /nfs/dbraw/zinc/63/23/31/783632331.db2.gz HFPKQRBXZPXXCH-CABCVRRESA-N 1 3 334.468 0.904 20 0 ECADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070209013 783660959 /nfs/dbraw/zinc/66/09/59/783660959.db2.gz IPXNLNLCLQUJGG-CVEARBPZSA-N 1 3 334.468 0.760 20 0 ECADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070208935 783660989 /nfs/dbraw/zinc/66/09/89/783660989.db2.gz FJTOJYSCOYZDTQ-PMPSAXMXSA-N 1 3 332.452 0.370 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001070407220 783990381 /nfs/dbraw/zinc/99/03/81/783990381.db2.gz AHISPEPPZZDPDJ-HOCLYGCPSA-N 1 3 349.479 0.680 20 0 ECADHO CC(C)N1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001070407220 783990386 /nfs/dbraw/zinc/99/03/86/783990386.db2.gz AHISPEPPZZDPDJ-HOCLYGCPSA-N 1 3 349.479 0.680 20 0 ECADHO COCCN1CC[C@@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@H](C)O2 ZINC001071204471 784730818 /nfs/dbraw/zinc/73/08/18/784730818.db2.gz PQODPOOOMFGGDM-MAUKXSAKSA-N 1 3 339.480 0.666 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001070865431 784768245 /nfs/dbraw/zinc/76/82/45/784768245.db2.gz VUDCEKZMBUGLFL-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001070865431 784768251 /nfs/dbraw/zinc/76/82/51/784768251.db2.gz VUDCEKZMBUGLFL-OAHLLOKOSA-N 1 3 326.485 0.776 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001072151509 785751973 /nfs/dbraw/zinc/75/19/73/785751973.db2.gz CJUHULPPJXGLIM-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001072151509 785751977 /nfs/dbraw/zinc/75/19/77/785751977.db2.gz CJUHULPPJXGLIM-CABCVRRESA-N 1 3 326.485 0.633 20 0 ECADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072354232 786065941 /nfs/dbraw/zinc/06/59/41/786065941.db2.gz GJRSTDUVWGOJCN-ZIAGYGMSSA-N 1 3 326.485 0.632 20 0 ECADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001072481880 786255916 /nfs/dbraw/zinc/25/59/16/786255916.db2.gz WQUFIDPNDMBHDI-GOEBONIOSA-N 1 3 338.496 0.633 20 0 ECADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001072481882 786257717 /nfs/dbraw/zinc/25/77/17/786257717.db2.gz WQUFIDPNDMBHDI-ZBFHGGJFSA-N 1 3 338.496 0.633 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001074244461 786497836 /nfs/dbraw/zinc/49/78/36/786497836.db2.gz UENYQBZPKOIYEO-HIFRSBDPSA-N 1 3 335.452 0.647 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001074244461 786497838 /nfs/dbraw/zinc/49/78/38/786497838.db2.gz UENYQBZPKOIYEO-HIFRSBDPSA-N 1 3 335.452 0.647 20 0 ECADHO C[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC001074369693 786779846 /nfs/dbraw/zinc/77/98/46/786779846.db2.gz BNWKLMSVOJHSGU-GASCZTMLSA-N 1 3 347.463 0.601 20 0 ECADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074561861 787263013 /nfs/dbraw/zinc/26/30/13/787263013.db2.gz QQSCHTPBNFQHBS-JQFCIGGWSA-N 1 3 344.459 0.959 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CN(C[C@H](C)O)CCCO2)CC1 ZINC001073841685 787328798 /nfs/dbraw/zinc/32/87/98/787328798.db2.gz QCZKHZIYMXBTOT-RDJZCZTQSA-N 1 3 341.496 0.695 20 0 ECADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001074655160 787516770 /nfs/dbraw/zinc/51/67/70/787516770.db2.gz UMLAUOASWAWVBE-JQFCIGGWSA-N 1 3 331.464 0.841 20 0 ECADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001074090510 787857088 /nfs/dbraw/zinc/85/70/88/787857088.db2.gz OGQKQWYZUQFGLR-HIFRSBDPSA-N 1 3 349.479 0.956 20 0 ECADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001074090510 787857093 /nfs/dbraw/zinc/85/70/93/787857093.db2.gz OGQKQWYZUQFGLR-HIFRSBDPSA-N 1 3 349.479 0.956 20 0 ECADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001074160679 787966741 /nfs/dbraw/zinc/96/67/41/787966741.db2.gz DAOPHBDEYXBSNA-UKRRQHHQSA-N 1 3 347.463 0.647 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCC3)[C@@H]2C)C1 ZINC001074878058 788477565 /nfs/dbraw/zinc/47/75/65/788477565.db2.gz XZILWXQBLAPRAX-PMPSAXMXSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001072675668 788567386 /nfs/dbraw/zinc/56/73/86/788567386.db2.gz YUSKPMDTLYQZOQ-GJZGRUSLSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001072678977 788577818 /nfs/dbraw/zinc/57/78/18/788577818.db2.gz BQFCMFAWJVQTSC-LSDHHAIUSA-N 1 3 340.512 0.879 20 0 ECADHO CCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001072801463 788833102 /nfs/dbraw/zinc/83/31/02/788833102.db2.gz SUBLNHGUQYCVIT-ZFWWWQNUSA-N 1 3 335.452 0.647 20 0 ECADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001072801463 788833106 /nfs/dbraw/zinc/83/31/06/788833106.db2.gz SUBLNHGUQYCVIT-ZFWWWQNUSA-N 1 3 335.452 0.647 20 0 ECADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001075189045 789035242 /nfs/dbraw/zinc/03/52/42/789035242.db2.gz MXTXWDNFOAYJHE-KGLIPLIRSA-N 1 3 335.452 0.790 20 0 ECADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001075189045 789035254 /nfs/dbraw/zinc/03/52/54/789035254.db2.gz MXTXWDNFOAYJHE-KGLIPLIRSA-N 1 3 335.452 0.790 20 0 ECADHO CN(C)C(=O)CN1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898411 789063905 /nfs/dbraw/zinc/06/39/05/789063905.db2.gz YICJDHLDJOWSPH-UHFFFAOYSA-N 1 3 341.415 0.570 20 0 ECADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C[NH2+]Cc1cnnn1C ZINC001075291163 789175924 /nfs/dbraw/zinc/17/59/24/789175924.db2.gz ZDOACTZCZADNNI-GJZGRUSLSA-N 1 3 348.495 0.874 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCn2cccn2)C3)C1 ZINC001072982878 789215529 /nfs/dbraw/zinc/21/55/29/789215529.db2.gz DLGBXQRHYANXAV-MRXNPFEDSA-N 1 3 331.464 0.759 20 0 ECADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCn2cccn2)C3)C1 ZINC001072982878 789215537 /nfs/dbraw/zinc/21/55/37/789215537.db2.gz DLGBXQRHYANXAV-MRXNPFEDSA-N 1 3 331.464 0.759 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC3(C2)CC[N@H+](CCn2cncn2)C3)C1 ZINC001072982807 789216347 /nfs/dbraw/zinc/21/63/47/789216347.db2.gz BCQHLTCXVLFWJK-UHFFFAOYSA-N 1 3 346.479 0.544 20 0 ECADHO CC1(C)CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCn2cncn2)C3)C1 ZINC001072982807 789216354 /nfs/dbraw/zinc/21/63/54/789216354.db2.gz BCQHLTCXVLFWJK-UHFFFAOYSA-N 1 3 346.479 0.544 20 0 ECADHO C[NH+](C)CCCC(=O)NC1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001073042120 789333099 /nfs/dbraw/zinc/33/30/99/789333099.db2.gz SVIGXNWIZAMNMU-UHFFFAOYSA-N 1 3 338.496 0.921 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073128111 789488811 /nfs/dbraw/zinc/48/88/11/789488811.db2.gz RTVHIFMUBULIBN-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO CN1CCC[C@H](N2CCC3(CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073128111 789488821 /nfs/dbraw/zinc/48/88/21/789488821.db2.gz RTVHIFMUBULIBN-HOTGVXAUSA-N 1 3 348.491 0.483 20 0 ECADHO C[C@@H]1CCCN1CC(=O)NC1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001073240959 789647284 /nfs/dbraw/zinc/64/72/84/789647284.db2.gz UMTZTYLHHUTNTH-OAHLLOKOSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001067010483 792571529 /nfs/dbraw/zinc/57/15/29/792571529.db2.gz MZOMLSICFQCLCN-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001067010483 792571540 /nfs/dbraw/zinc/57/15/40/792571540.db2.gz MZOMLSICFQCLCN-JKSUJKDBSA-N 1 3 338.496 0.872 20 0 ECADHO CCCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001266243816 835549897 /nfs/dbraw/zinc/54/98/97/835549897.db2.gz CKCHXTSUODNTOU-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CCCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266243816 835549902 /nfs/dbraw/zinc/54/99/02/835549902.db2.gz CKCHXTSUODNTOU-HOTGVXAUSA-N 1 3 338.496 0.825 20 0 ECADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(C(=O)NC)cc1)N(C)C ZINC001266740908 836223983 /nfs/dbraw/zinc/22/39/83/836223983.db2.gz CZBCVABQRBHSMS-MRXNPFEDSA-N 1 3 334.464 0.934 20 0 ECADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001266817404 836342078 /nfs/dbraw/zinc/34/20/78/836342078.db2.gz QIUGKQVPHITZMD-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001266825999 836351776 /nfs/dbraw/zinc/35/17/76/836351776.db2.gz MTJDZICQASXCJQ-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CN1CC[C@H](N[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1=O ZINC001267026530 836646883 /nfs/dbraw/zinc/64/68/83/836646883.db2.gz JFEAOILETVJJSR-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001267045778 836672335 /nfs/dbraw/zinc/67/23/35/836672335.db2.gz SRUGUACFGLTYFE-WBVHZDCISA-N 1 3 335.496 0.987 20 0 ECADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001408593484 837088114 /nfs/dbraw/zinc/08/81/14/837088114.db2.gz KKUKNOCBJNVJCJ-GJZGRUSLSA-N 1 3 338.496 0.918 20 0 ECADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCN2CCOCCO)CC1 ZINC001267279784 837126947 /nfs/dbraw/zinc/12/69/47/837126947.db2.gz LDHDSPBOKHMACP-KRWDZBQOSA-N 1 3 341.496 0.696 20 0 ECADHO CC[N@H+](C)CCC(=O)NCCN(C)C(=O)CN1CCC(C)CC1 ZINC001408689583 837995446 /nfs/dbraw/zinc/99/54/46/837995446.db2.gz QXHZVHBIRMONNF-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CN1CCC(C)CC1 ZINC001408689583 837995452 /nfs/dbraw/zinc/99/54/52/837995452.db2.gz QXHZVHBIRMONNF-UHFFFAOYSA-N 1 3 326.485 0.635 20 0 ECADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354658864 299087816 /nfs/dbraw/zinc/08/78/16/299087816.db2.gz RAYACSVJJSQSCB-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354658864 299087818 /nfs/dbraw/zinc/08/78/18/299087818.db2.gz RAYACSVJJSQSCB-HNNXBMFYSA-N 1 3 338.496 0.777 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000358356155 282252350 /nfs/dbraw/zinc/25/23/50/282252350.db2.gz XDZKKYLEQLLPEX-PCKAHOCUSA-N 1 3 336.480 0.672 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(=O)NCC1CC1 ZINC000427464626 210200030 /nfs/dbraw/zinc/20/00/30/210200030.db2.gz DXBJVGLYFPNRIL-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(=O)NCC1CC1 ZINC000427464626 210200034 /nfs/dbraw/zinc/20/00/34/210200034.db2.gz DXBJVGLYFPNRIL-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)C(C)(C)C[NH+](C)C ZINC000419545678 209121914 /nfs/dbraw/zinc/12/19/14/209121914.db2.gz MWKBRTZMMMVKPM-MGPQQGTHSA-N 1 3 326.485 0.665 20 0 ECADHO CN(C)[C@H](CNC(=O)C[NH2+]C1(CO)CCOCC1)c1ccccc1 ZINC000354821462 299136977 /nfs/dbraw/zinc/13/69/77/299136977.db2.gz TWAIQEYZYVVAID-MRXNPFEDSA-N 1 3 335.448 0.537 20 0 ECADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC000355591148 299278069 /nfs/dbraw/zinc/27/80/69/299278069.db2.gz WXGXZIFYEUTAMW-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC000355591148 299278071 /nfs/dbraw/zinc/27/80/71/299278071.db2.gz WXGXZIFYEUTAMW-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC000355591148 299278073 /nfs/dbraw/zinc/27/80/73/299278073.db2.gz WXGXZIFYEUTAMW-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC000355591148 299278074 /nfs/dbraw/zinc/27/80/74/299278074.db2.gz WXGXZIFYEUTAMW-HNNXBMFYSA-N 1 3 326.485 0.729 20 0 ECADHO Cn1ncc2c1ncnc2N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420304359 209351100 /nfs/dbraw/zinc/35/11/00/209351100.db2.gz OHIVDCLKMFSKLI-CQSZACIVSA-N 1 3 329.452 0.875 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOCC(F)(F)C(F)F)C1 ZINC000420303398 209350628 /nfs/dbraw/zinc/35/06/28/209350628.db2.gz XHLKYVOFTAIEAZ-SNVBAGLBSA-N 1 3 329.338 0.690 20 0 ECADHO O=C(CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1)NCc1ccccc1 ZINC000420294916 209349391 /nfs/dbraw/zinc/34/93/91/209349391.db2.gz BMRLKVFIJFCLNL-SFHVURJKSA-N 1 3 330.476 0.920 20 0 ECADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000420129005 209315123 /nfs/dbraw/zinc/31/51/23/209315123.db2.gz UQWMYUDGJXUBEE-QLFBSQMISA-N 1 3 326.485 0.857 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000420104533 209308033 /nfs/dbraw/zinc/30/80/33/209308033.db2.gz PKAKFCQLQZIMHR-IIDMSEBBSA-N 1 3 338.496 0.729 20 0 ECADHO NC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000420077795 209299736 /nfs/dbraw/zinc/29/97/36/209299736.db2.gz YOKFYCUUJUPBLE-HOCLYGCPSA-N 1 3 336.480 0.564 20 0 ECADHO NC[C@@H](NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1)C1CCCC1 ZINC000420059616 209294245 /nfs/dbraw/zinc/29/42/45/209294245.db2.gz GOPGMBWLJYJUDL-MRXNPFEDSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000419993514 209272168 /nfs/dbraw/zinc/27/21/68/209272168.db2.gz KMWLWMAMOBHTNV-MRXNPFEDSA-N 1 3 346.475 0.617 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000419965246 209262824 /nfs/dbraw/zinc/26/28/24/209262824.db2.gz XYPQGRZUHWBYFL-CYBMUJFWSA-N 1 3 338.427 0.427 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419917439 209249698 /nfs/dbraw/zinc/24/96/98/209249698.db2.gz SATOQWHQMKJTTE-WBVHZDCISA-N 1 3 346.475 0.897 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419917439 209249700 /nfs/dbraw/zinc/24/97/00/209249700.db2.gz SATOQWHQMKJTTE-WBVHZDCISA-N 1 3 346.475 0.897 20 0 ECADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419917435 209249004 /nfs/dbraw/zinc/24/90/04/209249004.db2.gz SATOQWHQMKJTTE-NVXWUHKLSA-N 1 3 346.475 0.897 20 0 ECADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419917435 209249007 /nfs/dbraw/zinc/24/90/07/209249007.db2.gz SATOQWHQMKJTTE-NVXWUHKLSA-N 1 3 346.475 0.897 20 0 ECADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC(C(=O)OCC)(C(C)C)C1 ZINC000419898123 209243196 /nfs/dbraw/zinc/24/31/96/209243196.db2.gz AYLWAVNABIHSRY-KRWDZBQOSA-N 1 3 341.452 0.540 20 0 ECADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419843357 209222292 /nfs/dbraw/zinc/22/22/92/209222292.db2.gz MQRQMLWJQQYYAX-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000419794080 209205651 /nfs/dbraw/zinc/20/56/51/209205651.db2.gz DLRLWRMMFVFUQZ-UHFFFAOYSA-N 1 3 332.448 0.940 20 0 ECADHO CCC[N@H+](CC)CCNC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000419761537 209200329 /nfs/dbraw/zinc/20/03/29/209200329.db2.gz KKWSPYQPFBUCLG-UHFFFAOYSA-N 1 3 332.448 0.754 20 0 ECADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000419761537 209200332 /nfs/dbraw/zinc/20/03/32/209200332.db2.gz KKWSPYQPFBUCLG-UHFFFAOYSA-N 1 3 332.448 0.754 20 0 ECADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C1CC1 ZINC000419761799 209200095 /nfs/dbraw/zinc/20/00/95/209200095.db2.gz KWRIVBXMCHVABJ-IRXDYDNUSA-N 1 3 344.459 0.573 20 0 ECADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419696835 284053081 /nfs/dbraw/zinc/05/30/81/284053081.db2.gz PGJMDDTVWPRKSU-QLFBSQMISA-N 1 3 334.464 0.472 20 0 ECADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCCC[C@H]1CN)C(C)C ZINC000419670669 209166325 /nfs/dbraw/zinc/16/63/25/209166325.db2.gz XIXNRULNGBHDOQ-HNNXBMFYSA-N 1 3 326.485 0.951 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)[C@@H]1C[NH3+] ZINC000419646283 209156479 /nfs/dbraw/zinc/15/64/79/209156479.db2.gz QADDTPXIVXBIEN-RHSMWYFYSA-N 1 3 346.475 0.950 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000419646405 209155521 /nfs/dbraw/zinc/15/55/21/209155521.db2.gz QNWXMNJIOICWCR-UHFFFAOYSA-N 1 3 334.464 0.808 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419524167 209115826 /nfs/dbraw/zinc/11/58/26/209115826.db2.gz PLVZJYBCOKCNMS-HYVNUMGLSA-N 1 3 346.475 0.786 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419524167 209115827 /nfs/dbraw/zinc/11/58/27/209115827.db2.gz PLVZJYBCOKCNMS-HYVNUMGLSA-N 1 3 346.475 0.786 20 0 ECADHO C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000419525234 209115803 /nfs/dbraw/zinc/11/58/03/209115803.db2.gz RFULVPFXNBMYIS-AVVWSFFYSA-N 1 3 338.496 0.857 20 0 ECADHO C[C@H]1CCCN(CCNC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000111818002 220197293 /nfs/dbraw/zinc/19/72/93/220197293.db2.gz XPHQYPNXARDZSV-HNNXBMFYSA-N 1 3 326.485 0.722 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000339587558 297362006 /nfs/dbraw/zinc/36/20/06/297362006.db2.gz PGPSEGRGJDGVFS-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000418920240 284703202 /nfs/dbraw/zinc/70/32/02/284703202.db2.gz BIUFVBVHMAASGT-RWMBFGLXSA-N 1 3 328.457 0.062 20 0 ECADHO COC(=O)COC[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000449185849 211276148 /nfs/dbraw/zinc/27/61/48/211276148.db2.gz JVQDBHGKMIQSQM-BPUTZDHNSA-N 1 3 328.453 0.922 20 0 ECADHO COC(=O)COC[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000449185852 211275857 /nfs/dbraw/zinc/27/58/57/211275857.db2.gz JVQDBHGKMIQSQM-IMJJTQAJSA-N 1 3 328.453 0.922 20 0 ECADHO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000433392981 296306856 /nfs/dbraw/zinc/30/68/56/296306856.db2.gz ZXIDJVLVBGHQCY-HUUCEWRRSA-N 1 3 332.452 0.903 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000420152783 209324010 /nfs/dbraw/zinc/32/40/10/209324010.db2.gz ZJDWMNLJHSIEIV-LSDHHAIUSA-N 1 3 326.485 0.810 20 0 ECADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000420152783 209324013 /nfs/dbraw/zinc/32/40/13/209324013.db2.gz ZJDWMNLJHSIEIV-LSDHHAIUSA-N 1 3 326.485 0.810 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410884176 208014812 /nfs/dbraw/zinc/01/48/12/208014812.db2.gz JPCIWKKGXLLNCV-UHFFFAOYSA-N 1 3 338.496 0.872 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN[C@](C)(C[NH3+])C(C)C)C1 ZINC000430560629 210380966 /nfs/dbraw/zinc/38/09/66/210380966.db2.gz WWXDJTYINAUZNB-DOTOQJQBSA-N 1 3 328.501 0.422 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+][C@](C)(CN)C(C)C)C1 ZINC000430560629 210380968 /nfs/dbraw/zinc/38/09/68/210380968.db2.gz WWXDJTYINAUZNB-DOTOQJQBSA-N 1 3 328.501 0.422 20 0 ECADHO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000429766829 210332481 /nfs/dbraw/zinc/33/24/81/210332481.db2.gz AOUDKRJHGHSRHI-BRWVUGGUSA-N 1 3 346.475 0.910 20 0 ECADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418769233 208846659 /nfs/dbraw/zinc/84/66/59/208846659.db2.gz TUENBOZWBNONGZ-AWEZNQCLSA-N 1 3 339.509 0.725 20 0 ECADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000418647887 208834512 /nfs/dbraw/zinc/83/45/12/208834512.db2.gz HACOVRBDBXIZNE-AEFFLSMTSA-N 1 3 345.491 0.938 20 0 ECADHO CCCN(C(=O)C(=O)N[C@@H](C)CN1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000419095226 208973107 /nfs/dbraw/zinc/97/31/07/208973107.db2.gz AKSABNQRJKBUBW-HOTGVXAUSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)N1CCC(C)CC1 ZINC000419155942 209004917 /nfs/dbraw/zinc/00/49/17/209004917.db2.gz IZXRAHSUJLJHPU-HZPDHXFCSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419431687 209094016 /nfs/dbraw/zinc/09/40/16/209094016.db2.gz XPYHVNWNAIVXRJ-OAGGEKHMSA-N 1 3 338.496 0.810 20 0 ECADHO CN(C[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1)C(=O)OC(C)(C)C ZINC000496171494 255077833 /nfs/dbraw/zinc/07/78/33/255077833.db2.gz RQLSCVKHYNBULO-UONOGXRCSA-N 1 3 331.457 0.261 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419431690 209093961 /nfs/dbraw/zinc/09/39/61/209093961.db2.gz XPYHVNWNAIVXRJ-XHSDSOJGSA-N 1 3 338.496 0.810 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419431690 209093966 /nfs/dbraw/zinc/09/39/66/209093966.db2.gz XPYHVNWNAIVXRJ-XHSDSOJGSA-N 1 3 338.496 0.810 20 0 ECADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419432256 209093750 /nfs/dbraw/zinc/09/37/50/209093750.db2.gz YDQQSKZACGNVGD-QGZVFWFLSA-N 1 3 344.459 0.501 20 0 ECADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000419426858 209092999 /nfs/dbraw/zinc/09/29/99/209092999.db2.gz RDICEOWTRSIRHJ-HNNXBMFYSA-N 1 3 338.496 0.825 20 0 ECADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420014579 285283434 /nfs/dbraw/zinc/28/34/34/285283434.db2.gz OJXQTQMLFTXXRR-ZBFHGGJFSA-N 1 3 347.463 0.358 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419166182 209009232 /nfs/dbraw/zinc/00/92/32/209009232.db2.gz HBYRYTISSORNFR-RDJZCZTQSA-N 1 3 346.475 0.473 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166182 209009234 /nfs/dbraw/zinc/00/92/34/209009234.db2.gz HBYRYTISSORNFR-RDJZCZTQSA-N 1 3 346.475 0.473 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419175272 209013218 /nfs/dbraw/zinc/01/32/18/209013218.db2.gz XBUWGVNBHHWTFX-BZUAXINKSA-N 1 3 338.496 0.953 20 0 ECADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000419221002 209030382 /nfs/dbraw/zinc/03/03/82/209030382.db2.gz ALSQUICETRVNOH-ZBFHGGJFSA-N 1 3 332.448 0.478 20 0 ECADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419212974 209027156 /nfs/dbraw/zinc/02/71/56/209027156.db2.gz KXDZUXXSZNNHFN-AWEZNQCLSA-N 1 3 334.464 0.949 20 0 ECADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419212974 209027159 /nfs/dbraw/zinc/02/71/59/209027159.db2.gz KXDZUXXSZNNHFN-AWEZNQCLSA-N 1 3 334.464 0.949 20 0 ECADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419423825 209090741 /nfs/dbraw/zinc/09/07/41/209090741.db2.gz NOKSCOPUTHXVON-IAGOWNOFSA-N 1 3 344.459 0.808 20 0 ECADHO CN(C)C1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCC1 ZINC000419236814 209037231 /nfs/dbraw/zinc/03/72/31/209037231.db2.gz KYTRXJZLHQAECC-OAHLLOKOSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417752699 285319629 /nfs/dbraw/zinc/31/96/29/285319629.db2.gz NAUKEBGXZSJNGN-OAHLLOKOSA-N 1 3 327.517 0.886 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000419375631 209072219 /nfs/dbraw/zinc/07/22/19/209072219.db2.gz RSNUFFCZBOZQLH-HOTGVXAUSA-N 1 3 340.512 0.831 20 0 ECADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H](CN)C1 ZINC000419552119 285687288 /nfs/dbraw/zinc/68/72/88/285687288.db2.gz WUAJCZKSEYSGNM-MGPQQGTHSA-N 1 3 342.484 0.044 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333445730 297134872 /nfs/dbraw/zinc/13/48/72/297134872.db2.gz KRBSLPFEIZOWAC-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333445730 297134875 /nfs/dbraw/zinc/13/48/75/297134875.db2.gz KRBSLPFEIZOWAC-HNNXBMFYSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333641216 297146124 /nfs/dbraw/zinc/14/61/24/297146124.db2.gz IHDMRPMYPNGJPL-TUAOUCFPSA-N 1 3 337.390 0.214 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)CC(C)C1)N(C)C ZINC000456696344 286731988 /nfs/dbraw/zinc/73/19/88/286731988.db2.gz KGRRXXLNAAERKP-HOTGVXAUSA-N 1 3 340.512 0.974 20 0 ECADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000418863157 287051773 /nfs/dbraw/zinc/05/17/73/287051773.db2.gz IRINTMYFNMHPLW-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C2(CO)CCOCC2)CC1 ZINC000191021784 165028765 /nfs/dbraw/zinc/02/87/65/165028765.db2.gz NYBVVFQJAMZYSX-UHFFFAOYSA-N 1 3 327.469 0.449 20 0 ECADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000246449963 165135849 /nfs/dbraw/zinc/13/58/49/165135849.db2.gz XQBJQSWDUPAGHO-PMPSAXMXSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000246449963 165135850 /nfs/dbraw/zinc/13/58/50/165135850.db2.gz XQBJQSWDUPAGHO-PMPSAXMXSA-N 1 3 338.496 0.633 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000248871356 165189128 /nfs/dbraw/zinc/18/91/28/165189128.db2.gz KHEFHYOPBVZNML-KBPBESRZSA-N 1 3 326.441 0.265 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000248871356 165189132 /nfs/dbraw/zinc/18/91/32/165189132.db2.gz KHEFHYOPBVZNML-KBPBESRZSA-N 1 3 326.441 0.265 20 0 ECADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261880057 165257397 /nfs/dbraw/zinc/25/73/97/165257397.db2.gz PBHDNZBNSOMLQZ-OAGGEKHMSA-N 1 3 338.496 0.822 20 0 ECADHO CN[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1cnn(C)c1 ZINC000262028641 165278577 /nfs/dbraw/zinc/27/85/77/165278577.db2.gz BFAFSBSFWJYLAC-MRXNPFEDSA-N 1 3 336.484 0.070 20 0 ECADHO CN[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)c1cnn(C)c1 ZINC000262028641 165278578 /nfs/dbraw/zinc/27/85/78/165278578.db2.gz BFAFSBSFWJYLAC-MRXNPFEDSA-N 1 3 336.484 0.070 20 0 ECADHO CN(C)CCOc1ccccc1N1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262274553 165319804 /nfs/dbraw/zinc/31/98/04/165319804.db2.gz UKXVMQVUPCCECD-UHFFFAOYSA-N 1 3 332.448 0.495 20 0 ECADHO CC(C)C[C@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000262510452 165357531 /nfs/dbraw/zinc/35/75/31/165357531.db2.gz LSOYFYQMQXLONQ-ZDUSSCGKSA-N 1 3 328.438 0.236 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000166452305 226158126 /nfs/dbraw/zinc/15/81/26/226158126.db2.gz NCTHEKMFUUPNJY-INIZCTEOSA-N 1 3 332.448 0.594 20 0 ECADHO CCN(C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000118107769 263145911 /nfs/dbraw/zinc/14/59/11/263145911.db2.gz WHBKBRUHUBLUTQ-UHFFFAOYSA-N 1 3 336.436 0.633 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000173959939 263149483 /nfs/dbraw/zinc/14/94/83/263149483.db2.gz YWBVVFVVZCDABB-JKSUJKDBSA-N 1 3 337.512 0.653 20 0 ECADHO C[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)CN1CCN(C)CC1 ZINC000173959939 263149485 /nfs/dbraw/zinc/14/94/85/263149485.db2.gz YWBVVFVVZCDABB-JKSUJKDBSA-N 1 3 337.512 0.653 20 0 ECADHO CC(C)NS(=O)(=O)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298578380 265261742 /nfs/dbraw/zinc/26/17/42/265261742.db2.gz XNYWAFAERFEWGF-UHFFFAOYSA-N 1 3 326.466 0.968 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340200012 437594390 /nfs/dbraw/zinc/59/43/90/437594390.db2.gz DMRMHYKJYCDEDQ-HNNXBMFYSA-N 1 3 336.480 0.435 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340200012 437594397 /nfs/dbraw/zinc/59/43/97/437594397.db2.gz DMRMHYKJYCDEDQ-HNNXBMFYSA-N 1 3 336.480 0.435 20 0 ECADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000247256383 276360683 /nfs/dbraw/zinc/36/06/83/276360683.db2.gz YUCWRSUPCRLYFD-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000247256383 276360684 /nfs/dbraw/zinc/36/06/84/276360684.db2.gz YUCWRSUPCRLYFD-HZPDHXFCSA-N 1 3 336.480 0.626 20 0 ECADHO COC[C@]1(CNC(=O)NC[C@H]2NCCc3ccccc32)CCC[NH2+]1 ZINC000418646963 277269398 /nfs/dbraw/zinc/26/93/98/277269398.db2.gz XRRIHTQHIUKSOY-SJLPKXTDSA-N 1 3 332.448 0.941 20 0 ECADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419700269 277388236 /nfs/dbraw/zinc/38/82/36/277388236.db2.gz SCENGUFDYKQJPV-LSDHHAIUSA-N 1 3 326.485 0.713 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419482288 278181821 /nfs/dbraw/zinc/18/18/21/278181821.db2.gz QACTXCZWEITAPE-QLFBSQMISA-N 1 3 326.485 0.666 20 0 ECADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419482288 278181823 /nfs/dbraw/zinc/18/18/23/278181823.db2.gz QACTXCZWEITAPE-QLFBSQMISA-N 1 3 326.485 0.666 20 0 ECADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433501267 278231126 /nfs/dbraw/zinc/23/11/26/278231126.db2.gz ZMEVLMZJKKKNJY-JKSUJKDBSA-N 1 3 346.479 0.717 20 0 ECADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000433501267 278231127 /nfs/dbraw/zinc/23/11/27/278231127.db2.gz ZMEVLMZJKKKNJY-JKSUJKDBSA-N 1 3 346.479 0.717 20 0 ECADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419231141 279259159 /nfs/dbraw/zinc/25/91/59/279259159.db2.gz RAYAEJFVTQSXBQ-INMHGKMJSA-N 1 3 346.475 0.867 20 0 ECADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](SC)[C@H](N(C)C)C2)CC1 ZINC000411428296 279259664 /nfs/dbraw/zinc/25/96/64/279259664.db2.gz SFBCBDZQUQJSBU-HUUCEWRRSA-N 1 3 328.526 0.564 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424465294 279361870 /nfs/dbraw/zinc/36/18/70/279361870.db2.gz RFOUUKRFQWOZPU-BZUAXINKSA-N 1 3 325.501 0.829 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])N1CCC(C)CC1 ZINC000419382443 280239595 /nfs/dbraw/zinc/23/95/95/280239595.db2.gz YZNZFNFHNUAYAP-AWEZNQCLSA-N 1 3 326.485 0.713 20 0 ECADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419020857 280283519 /nfs/dbraw/zinc/28/35/19/280283519.db2.gz GFGRZXYWXNBMJX-LXTVHRRPSA-N 1 3 326.485 0.569 20 0 ECADHO CC[C@@H]1CN(C(=O)CCCN2CCC([NH3+])CC2)CCN1C[C@H](C)O ZINC000433138188 280347980 /nfs/dbraw/zinc/34/79/80/280347980.db2.gz RIPYJDIHTROBLR-DOTOQJQBSA-N 1 3 340.512 0.493 20 0 ECADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416004175 281822334 /nfs/dbraw/zinc/82/23/34/281822334.db2.gz ICLWDSOFXBOPDX-NEPJUHHUSA-N 1 3 340.390 0.658 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000459927645 289290003 /nfs/dbraw/zinc/29/00/03/289290003.db2.gz ALEBSKYCCLOLNE-MRXNPFEDSA-N 1 3 336.480 0.626 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000410734304 289367699 /nfs/dbraw/zinc/36/76/99/289367699.db2.gz TWJDDHWTBWEOPZ-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000420209347 295258000 /nfs/dbraw/zinc/25/80/00/295258000.db2.gz RTGRYKXCIYQFKM-BZUAXINKSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332977957 297095965 /nfs/dbraw/zinc/09/59/65/297095965.db2.gz SADJNKSUYZLMRF-IXDOHACOSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332977957 297095967 /nfs/dbraw/zinc/09/59/67/297095967.db2.gz SADJNKSUYZLMRF-IXDOHACOSA-N 1 3 337.512 0.938 20 0 ECADHO C[C@H]1CN(C(=O)Nc2cnc(N3CCNCC3)nc2)C[C@@H]1[NH+](C)C ZINC000333324901 297124660 /nfs/dbraw/zinc/12/46/60/297124660.db2.gz NLQILPBWEJLUGP-JSGCOSHPSA-N 1 3 333.440 0.300 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333445731 297134787 /nfs/dbraw/zinc/13/47/87/297134787.db2.gz KRBSLPFEIZOWAC-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333445731 297134789 /nfs/dbraw/zinc/13/47/89/297134789.db2.gz KRBSLPFEIZOWAC-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000333598834 297143958 /nfs/dbraw/zinc/14/39/58/297143958.db2.gz QCDQZBFGNCZZOJ-ZBFHGGJFSA-N 1 3 336.480 0.578 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000337148145 297182274 /nfs/dbraw/zinc/18/22/74/297182274.db2.gz ZZQYSHKLXQJHKT-SJORKVTESA-N 1 3 337.512 0.938 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000337148145 297182275 /nfs/dbraw/zinc/18/22/75/297182275.db2.gz ZZQYSHKLXQJHKT-SJORKVTESA-N 1 3 337.512 0.938 20 0 ECADHO CC[NH+]1CCN(CCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000338021758 297234135 /nfs/dbraw/zinc/23/41/35/297234135.db2.gz HMEIMWYELVNKQL-QGZVFWFLSA-N 1 3 340.512 0.487 20 0 ECADHO CN(C)CCOCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000339497091 297355421 /nfs/dbraw/zinc/35/54/21/297355421.db2.gz DVACDRPQJNLYLU-UHFFFAOYSA-N 1 3 342.484 0.106 20 0 ECADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000339613390 297364121 /nfs/dbraw/zinc/36/41/21/297364121.db2.gz DNPHKDMFJIWOFR-LSDHHAIUSA-N 1 3 326.485 0.820 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[N@@H+]1C ZINC000339617005 297365301 /nfs/dbraw/zinc/36/53/01/297365301.db2.gz OOCYAQYOQUDSDL-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[N@H+]1C ZINC000339617005 297365303 /nfs/dbraw/zinc/36/53/03/297365303.db2.gz OOCYAQYOQUDSDL-LSDHHAIUSA-N 1 3 338.496 0.966 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC(C)CC1)C[NH+]1CCCC1 ZINC000340799731 297549175 /nfs/dbraw/zinc/54/91/75/297549175.db2.gz PRTOTVMVJNOWOZ-INIZCTEOSA-N 1 3 338.496 0.683 20 0 ECADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000343143685 297833661 /nfs/dbraw/zinc/83/36/61/297833661.db2.gz FTPKFIZRIBRUOU-HUUCEWRRSA-N 1 3 340.512 0.879 20 0 ECADHO CN(C)CCNC(=O)C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000345193059 298128188 /nfs/dbraw/zinc/12/81/88/298128188.db2.gz VWSFWDPWMPPOLR-UHFFFAOYSA-N 1 3 347.463 0.800 20 0 ECADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000345330178 298145215 /nfs/dbraw/zinc/14/52/15/298145215.db2.gz QFODQVNZARLKFY-GASCZTMLSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000345502148 298164691 /nfs/dbraw/zinc/16/46/91/298164691.db2.gz GTQSXPIHLOMECS-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000345502148 298164693 /nfs/dbraw/zinc/16/46/93/298164693.db2.gz GTQSXPIHLOMECS-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000345754333 298190134 /nfs/dbraw/zinc/19/01/34/298190134.db2.gz QWWFIBCAEMAZCZ-OAGGEKHMSA-N 1 3 326.485 0.861 20 0 ECADHO CC[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+](CC)CC ZINC000345861146 298197305 /nfs/dbraw/zinc/19/73/05/298197305.db2.gz PDGBAHSBTBUXPC-INIZCTEOSA-N 1 3 338.496 0.873 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C1=CC[N@H+](C)CC1 ZINC000346109796 298228259 /nfs/dbraw/zinc/22/82/59/298228259.db2.gz MTNGIEFOMUUHGH-VNHYZAJKSA-N 1 3 334.464 0.494 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000346109796 298228261 /nfs/dbraw/zinc/22/82/61/298228261.db2.gz MTNGIEFOMUUHGH-VNHYZAJKSA-N 1 3 334.464 0.494 20 0 ECADHO C[C@H](C[NH+](C)C)NC(=O)Cc1occc1C(=O)N[C@@H](C)CN(C)C ZINC000346235900 298242335 /nfs/dbraw/zinc/24/23/35/298242335.db2.gz YCRDAAYBGSRKLW-OLZOCXBDSA-N 1 3 338.452 0.568 20 0 ECADHO C[C@H](CN(C)C)NC(=O)Cc1occc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346235900 298242337 /nfs/dbraw/zinc/24/23/37/298242337.db2.gz YCRDAAYBGSRKLW-OLZOCXBDSA-N 1 3 338.452 0.568 20 0 ECADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1=O ZINC000346345329 298262914 /nfs/dbraw/zinc/26/29/14/298262914.db2.gz VDZRXIRDHSHUER-HOTGVXAUSA-N 1 3 336.480 0.341 20 0 ECADHO COC(=O)[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C1CC1 ZINC000353143610 299016456 /nfs/dbraw/zinc/01/64/56/299016456.db2.gz UKVJDNPOTFDTNA-DLBZAZTESA-N 1 3 349.475 0.860 20 0 ECADHO CCN(C)C(=O)[C@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000353381243 299044649 /nfs/dbraw/zinc/04/46/49/299044649.db2.gz MGRCCYRAVJWDPV-HNNXBMFYSA-N 1 3 326.485 0.239 20 0 ECADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353455230 299050350 /nfs/dbraw/zinc/05/03/50/299050350.db2.gz OQQQWVIAWIRZLJ-DOTOQJQBSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353455230 299050354 /nfs/dbraw/zinc/05/03/54/299050354.db2.gz OQQQWVIAWIRZLJ-DOTOQJQBSA-N 1 3 337.512 0.748 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1)CN1CCN(C)CC1 ZINC000362027879 300155131 /nfs/dbraw/zinc/15/51/31/300155131.db2.gz ZLENKLSNFVRNBP-ZACQAIPSSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1)CN1CCN(C)CC1 ZINC000362027879 300155134 /nfs/dbraw/zinc/15/51/34/300155134.db2.gz ZLENKLSNFVRNBP-ZACQAIPSSA-N 1 3 337.512 0.606 20 0 ECADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000362848578 300228199 /nfs/dbraw/zinc/22/81/99/300228199.db2.gz CEUQKVVOZRLJGM-WBVHZDCISA-N 1 3 345.491 0.990 20 0 ECADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000362848578 300228200 /nfs/dbraw/zinc/22/82/00/300228200.db2.gz CEUQKVVOZRLJGM-WBVHZDCISA-N 1 3 345.491 0.990 20 0 ECADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)CN1CCOCC1 ZINC000363714683 300287982 /nfs/dbraw/zinc/28/79/82/300287982.db2.gz QODXXFRWOWSZQE-OWSLCNJRSA-N 1 3 341.496 0.159 20 0 ECADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)CN1CCOCC1 ZINC000363714683 300287986 /nfs/dbraw/zinc/28/79/86/300287986.db2.gz QODXXFRWOWSZQE-OWSLCNJRSA-N 1 3 341.496 0.159 20 0 ECADHO [NH3+][C@@H]1CN(C(=O)c2[nH]nc3c2CNCC3)C[C@H]1c1ccc(F)cc1 ZINC000364133685 300328853 /nfs/dbraw/zinc/32/88/53/300328853.db2.gz ZJGXBIZCLLNCSI-UONOGXRCSA-N 1 3 329.379 0.761 20 0 ECADHO CCN1CCN(CCNC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000370190692 300802509 /nfs/dbraw/zinc/80/25/09/300802509.db2.gz AEORVBDWPZESRY-UHFFFAOYSA-N 1 3 333.480 0.780 20 0 ECADHO C[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)CN1CCN(C)CC1 ZINC000073659921 436088510 /nfs/dbraw/zinc/08/85/10/436088510.db2.gz PZDRTINZSWYRMP-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)CN1CCN(C)CC1 ZINC000073659921 436088516 /nfs/dbraw/zinc/08/85/16/436088516.db2.gz PZDRTINZSWYRMP-DLBZAZTESA-N 1 3 339.528 0.901 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)CN1CCN(C)CC1 ZINC000074350157 436124999 /nfs/dbraw/zinc/12/49/99/436124999.db2.gz YQPBWMBIAZQHSC-NVXWUHKLSA-N 1 3 337.512 0.653 20 0 ECADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)CN1CCN(C)CC1 ZINC000074350157 436125005 /nfs/dbraw/zinc/12/50/05/436125005.db2.gz YQPBWMBIAZQHSC-NVXWUHKLSA-N 1 3 337.512 0.653 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1(C)C ZINC000376181971 301240613 /nfs/dbraw/zinc/24/06/13/301240613.db2.gz PHQKVKRHCMKYSE-CFAJVAMVSA-N 1 3 325.453 0.498 20 0 ECADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1(C)C ZINC000376181971 301240616 /nfs/dbraw/zinc/24/06/16/301240616.db2.gz PHQKVKRHCMKYSE-CFAJVAMVSA-N 1 3 325.453 0.498 20 0 ECADHO COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075835058 436177429 /nfs/dbraw/zinc/17/74/29/436177429.db2.gz HZHZWHMJMCHMDA-HNNXBMFYSA-N 1 3 325.453 0.816 20 0 ECADHO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075835058 436177433 /nfs/dbraw/zinc/17/74/33/436177433.db2.gz HZHZWHMJMCHMDA-HNNXBMFYSA-N 1 3 325.453 0.816 20 0 ECADHO CN(C)CCN1C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1=O ZINC000081410133 436345991 /nfs/dbraw/zinc/34/59/91/436345991.db2.gz QFSAKDBJILPZLP-CABCVRRESA-N 1 3 340.512 0.879 20 0 ECADHO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000515694672 301648653 /nfs/dbraw/zinc/64/86/53/301648653.db2.gz UOFKULOJAKUNFS-AQFXKWCLSA-N 1 3 348.491 0.816 20 0 ECADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000519690249 301754005 /nfs/dbraw/zinc/75/40/05/301754005.db2.gz FYLZFQKEBBNIIV-INIZCTEOSA-N 1 3 340.512 0.975 20 0 ECADHO CC(=O)N[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000050802855 436477519 /nfs/dbraw/zinc/47/75/19/436477519.db2.gz XZECVZHPTFBZJJ-KRWDZBQOSA-N 1 3 338.496 0.822 20 0 ECADHO COCCOCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050796957 436478088 /nfs/dbraw/zinc/47/80/88/436478088.db2.gz BMUFWMRYLBQJSC-UHFFFAOYSA-N 1 3 327.469 0.714 20 0 ECADHO C[C@H]1Oc2c(cccc2C(=O)N(CCN(C)C)CC[NH+](C)C)NC1=O ZINC000104190632 436558108 /nfs/dbraw/zinc/55/81/08/436558108.db2.gz SOOVSTWYKJWHDR-CYBMUJFWSA-N 1 3 348.447 0.971 20 0 ECADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529342132 301941363 /nfs/dbraw/zinc/94/13/63/301941363.db2.gz RKZSTSMQXJWAAP-UONOGXRCSA-N 1 3 346.422 0.784 20 0 ECADHO CC[NH+]1CCC(NC(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000546733232 302250820 /nfs/dbraw/zinc/25/08/20/302250820.db2.gz QQDGWHFMLLRKPH-OAHLLOKOSA-N 1 3 325.501 0.796 20 0 ECADHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000116396239 436649679 /nfs/dbraw/zinc/64/96/79/436649679.db2.gz AZSCGCXRWRFYSZ-IHRRRGAJSA-N 1 3 347.525 0.634 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1cccs1 ZINC000117253855 436656095 /nfs/dbraw/zinc/65/60/95/436656095.db2.gz XTRLZNZPJGCKKG-UHFFFAOYSA-N 1 3 326.466 0.430 20 0 ECADHO COCCN1CCC[C@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237092798 436723726 /nfs/dbraw/zinc/72/37/26/436723726.db2.gz BVCTYXWPOBCDFK-AWEZNQCLSA-N 1 3 336.440 0.043 20 0 ECADHO [NH3+]C1(C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000237889135 436747331 /nfs/dbraw/zinc/74/73/31/436747331.db2.gz JTBYCWAEJLJPNP-INIZCTEOSA-N 1 3 343.475 0.934 20 0 ECADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000238040175 436752435 /nfs/dbraw/zinc/75/24/35/436752435.db2.gz QEVYTKKRSXZSOV-GOSISDBHSA-N 1 3 330.476 0.920 20 0 ECADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000245605697 436767145 /nfs/dbraw/zinc/76/71/45/436767145.db2.gz KAHNXPLFQBGDQZ-MSOLQXFVSA-N 1 3 343.512 0.501 20 0 ECADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000245605697 436767147 /nfs/dbraw/zinc/76/71/47/436767147.db2.gz KAHNXPLFQBGDQZ-MSOLQXFVSA-N 1 3 343.512 0.501 20 0 ECADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NC2(C)CC[NH2+]CC2)CC1=O ZINC000248868787 436812784 /nfs/dbraw/zinc/81/27/84/436812784.db2.gz NXVVYPYVVWLMDA-GJZGRUSLSA-N 1 3 336.480 0.578 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262322330 436924419 /nfs/dbraw/zinc/92/44/19/436924419.db2.gz CRHARYJLVBSFCO-ZDUSSCGKSA-N 1 3 339.509 0.648 20 0 ECADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000297069523 437004180 /nfs/dbraw/zinc/00/41/80/437004180.db2.gz DJGYQKSTCCQVOO-QZTJIDSGSA-N 1 3 346.475 0.799 20 0 ECADHO C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000297069523 437004183 /nfs/dbraw/zinc/00/41/83/437004183.db2.gz DJGYQKSTCCQVOO-QZTJIDSGSA-N 1 3 346.475 0.799 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000331394442 437088523 /nfs/dbraw/zinc/08/85/23/437088523.db2.gz KCCVMHGCNNDEPC-OAGGEKHMSA-N 1 3 336.480 0.291 20 0 ECADHO C[N@H+](CCNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C1CC1 ZINC000264870846 437098205 /nfs/dbraw/zinc/09/82/05/437098205.db2.gz PGXUSNRHESVCIA-GOSISDBHSA-N 1 3 346.475 0.799 20 0 ECADHO C[N@@H+](CCNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C1CC1 ZINC000264870846 437098208 /nfs/dbraw/zinc/09/82/08/437098208.db2.gz PGXUSNRHESVCIA-GOSISDBHSA-N 1 3 346.475 0.799 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C1=CCN(C)CC1 ZINC000331686029 437144505 /nfs/dbraw/zinc/14/45/05/437144505.db2.gz SVBOSIKHWUIEQY-XIRDDKMYSA-N 1 3 348.491 0.696 20 0 ECADHO C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C1=CCN(C)CC1 ZINC000331686029 437144509 /nfs/dbraw/zinc/14/45/09/437144509.db2.gz SVBOSIKHWUIEQY-XIRDDKMYSA-N 1 3 348.491 0.696 20 0 ECADHO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000331658116 437138496 /nfs/dbraw/zinc/13/84/96/437138496.db2.gz SZDORCAKBKZNEX-GJZGRUSLSA-N 1 3 337.468 0.206 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)/C=C/C[NH+](C)C)cc1 ZINC000265674923 437173607 /nfs/dbraw/zinc/17/36/07/437173607.db2.gz IBMHLCSAEWKJRQ-AATRIKPKSA-N 1 3 332.448 0.712 20 0 ECADHO CC(C)[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)N1CCN(C)CC1 ZINC000316709682 437188946 /nfs/dbraw/zinc/18/89/46/437188946.db2.gz JZPBCUHVHBTYRK-LSDHHAIUSA-N 1 3 328.526 0.470 20 0 ECADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000332085590 437206333 /nfs/dbraw/zinc/20/63/33/437206333.db2.gz FSISODBLKXAXRQ-KLHDSHLOSA-N 1 3 336.480 0.576 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333358855 437267956 /nfs/dbraw/zinc/26/79/56/437267956.db2.gz KSPFPPGEUQOLKP-DLBZAZTESA-N 1 3 337.512 0.940 20 0 ECADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000332553033 437230024 /nfs/dbraw/zinc/23/00/24/437230024.db2.gz KTHJUEKEVBWBGS-FXUDXRNXSA-N 1 3 336.480 0.671 20 0 ECADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000332591906 437234329 /nfs/dbraw/zinc/23/43/29/437234329.db2.gz GJTWEAJJVAFEFC-JKSUJKDBSA-N 1 3 336.480 0.530 20 0 ECADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000332579640 437234666 /nfs/dbraw/zinc/23/46/66/437234666.db2.gz AWTAVECXSHDXGE-XHSDSOJGSA-N 1 3 336.480 0.659 20 0 ECADHO Cc1nccn1CCN1CC[N@H+](CCn2ccnc2C)CC(O)C1 ZINC000329111643 437318306 /nfs/dbraw/zinc/31/83/06/437318306.db2.gz QZLQVVSKETXKQM-UHFFFAOYSA-N 1 3 332.452 0.375 20 0 ECADHO Cc1nccn1CCN1CC[N@@H+](CCn2ccnc2C)CC(O)C1 ZINC000329111643 437318310 /nfs/dbraw/zinc/31/83/10/437318310.db2.gz QZLQVVSKETXKQM-UHFFFAOYSA-N 1 3 332.452 0.375 20 0 ECADHO Cc1cc(NC(=O)CCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)no1 ZINC000328966175 437293895 /nfs/dbraw/zinc/29/38/95/437293895.db2.gz SNVXHJJFCZNJFA-GOEBONIOSA-N 1 3 349.479 1.269 20 0 ECADHO C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCN(CCCN3CCOCC3)CC1)C2 ZINC000182570237 437355285 /nfs/dbraw/zinc/35/52/85/437355285.db2.gz KTAROERTEQMJER-DFNIBXOVSA-N 1 3 336.524 0.952 20 0 ECADHO C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCN(CCCN3CCOCC3)CC1)C2 ZINC000182570237 437355286 /nfs/dbraw/zinc/35/52/86/437355286.db2.gz KTAROERTEQMJER-DFNIBXOVSA-N 1 3 336.524 0.952 20 0 ECADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[NH+](CC)CC ZINC000339582584 437474590 /nfs/dbraw/zinc/47/45/90/437474590.db2.gz YUUUYVPGYDNRAV-HNNXBMFYSA-N 1 3 326.485 0.825 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000339584895 437476077 /nfs/dbraw/zinc/47/60/77/437476077.db2.gz MNZGBPZNJRHCDU-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000339584895 437476080 /nfs/dbraw/zinc/47/60/80/437476080.db2.gz MNZGBPZNJRHCDU-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000269255191 437476160 /nfs/dbraw/zinc/47/61/60/437476160.db2.gz RUDFWXRUCGOGAF-SJORKVTESA-N 1 3 346.475 0.788 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000185827780 437453517 /nfs/dbraw/zinc/45/35/17/437453517.db2.gz XNJYQEMRNQRQBB-HUUCEWRRSA-N 1 3 325.501 0.794 20 0 ECADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000185827780 437453520 /nfs/dbraw/zinc/45/35/20/437453520.db2.gz XNJYQEMRNQRQBB-HUUCEWRRSA-N 1 3 325.501 0.794 20 0 ECADHO COCC[NH+]1CCC(NC[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000353954163 437495168 /nfs/dbraw/zinc/49/51/68/437495168.db2.gz JADAAHMPLABXHN-OAHLLOKOSA-N 1 3 333.498 0.501 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)N1CCOCC1 ZINC000339703285 437501020 /nfs/dbraw/zinc/50/10/20/437501020.db2.gz ZOJZGDFWBFXFFX-DLBZAZTESA-N 1 3 340.512 0.582 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)N1CCOCC1 ZINC000339703285 437501024 /nfs/dbraw/zinc/50/10/24/437501024.db2.gz ZOJZGDFWBFXFFX-DLBZAZTESA-N 1 3 340.512 0.582 20 0 ECADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000339950074 437528460 /nfs/dbraw/zinc/52/84/60/437528460.db2.gz NICGBNMQNYBMOD-QGZVFWFLSA-N 1 3 348.491 0.816 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000360172430 437545646 /nfs/dbraw/zinc/54/56/46/437545646.db2.gz SPHMLJXBPSHWRP-LSDHHAIUSA-N 1 3 326.485 0.824 20 0 ECADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360279604 437572598 /nfs/dbraw/zinc/57/25/98/437572598.db2.gz PIRRHGVFBMUQQZ-HNNXBMFYSA-N 1 3 342.484 0.062 20 0 ECADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CN(C)CCN2C)[C@H](C)C1 ZINC000361342930 437661949 /nfs/dbraw/zinc/66/19/49/437661949.db2.gz YUWZHUPDIKOPEL-SQNIBIBYSA-N 1 3 326.529 0.959 20 0 ECADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CN(C)CCN2C)[C@H](C)C1 ZINC000361342930 437661953 /nfs/dbraw/zinc/66/19/53/437661953.db2.gz YUWZHUPDIKOPEL-SQNIBIBYSA-N 1 3 326.529 0.959 20 0 ECADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2CN(C)CCN2C)[C@H](C)C1 ZINC000361342930 437661954 /nfs/dbraw/zinc/66/19/54/437661954.db2.gz YUWZHUPDIKOPEL-SQNIBIBYSA-N 1 3 326.529 0.959 20 0 ECADHO CS[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H]1[NH+]1CCCC1 ZINC000361623818 437677002 /nfs/dbraw/zinc/67/70/02/437677002.db2.gz OUSVLBARCIZOKQ-HRCADAONSA-N 1 3 338.521 0.415 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000423582836 437768258 /nfs/dbraw/zinc/76/82/58/437768258.db2.gz BCSOPSMDMVSUJI-GJZGRUSLSA-N 1 3 326.485 0.759 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000362240943 437725290 /nfs/dbraw/zinc/72/52/90/437725290.db2.gz WYLXPDNARCSNHF-HNNXBMFYSA-N 1 3 337.468 0.029 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000362240943 437725293 /nfs/dbraw/zinc/72/52/93/437725293.db2.gz WYLXPDNARCSNHF-HNNXBMFYSA-N 1 3 337.468 0.029 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000340766195 437726068 /nfs/dbraw/zinc/72/60/68/437726068.db2.gz BGLPGFJKRJQQLM-MRXNPFEDSA-N 1 3 340.512 0.881 20 0 ECADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000340775685 437730665 /nfs/dbraw/zinc/73/06/65/437730665.db2.gz NIAXJQATLRAPQL-OWCLPIDISA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1=CCN(C)CC1 ZINC000340796043 437736366 /nfs/dbraw/zinc/73/63/66/437736366.db2.gz JWULYYKCLBLJCK-BPUTZDHNSA-N 1 3 334.464 0.496 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1=CCN(C)CC1 ZINC000340796043 437736368 /nfs/dbraw/zinc/73/63/68/437736368.db2.gz JWULYYKCLBLJCK-BPUTZDHNSA-N 1 3 334.464 0.496 20 0 ECADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H](O)CN1CCOCC1 ZINC000344143355 437739015 /nfs/dbraw/zinc/73/90/15/437739015.db2.gz BIKUYPNBGSMMBN-GOSISDBHSA-N 1 3 342.528 0.029 20 0 ECADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H](O)CN1CCOCC1 ZINC000344143355 437739018 /nfs/dbraw/zinc/73/90/18/437739018.db2.gz BIKUYPNBGSMMBN-GOSISDBHSA-N 1 3 342.528 0.029 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000331373561 437746450 /nfs/dbraw/zinc/74/64/50/437746450.db2.gz CTYFVOJNZYRUKF-XHSDSOJGSA-N 1 3 336.480 0.420 20 0 ECADHO C[C@@H](CNC(=O)N1CCN(C2CCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000341236585 437819578 /nfs/dbraw/zinc/81/95/78/437819578.db2.gz AENQAADYUSTMSW-INIZCTEOSA-N 1 3 337.512 0.750 20 0 ECADHO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000423750851 437824558 /nfs/dbraw/zinc/82/45/58/437824558.db2.gz AHFFSEGPIYBZPN-KRWDZBQOSA-N 1 3 347.459 0.948 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)C[NH3+])cc2)CC1 ZINC000415595673 437826974 /nfs/dbraw/zinc/82/69/74/437826974.db2.gz HMJVKIQHHBUNCO-CQSZACIVSA-N 1 3 347.463 0.226 20 0 ECADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000356515975 437775360 /nfs/dbraw/zinc/77/53/60/437775360.db2.gz FYZOIEICJMOWOL-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000356515975 437775363 /nfs/dbraw/zinc/77/53/63/437775363.db2.gz FYZOIEICJMOWOL-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC1(C)CCCN1CCNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415289132 437776565 /nfs/dbraw/zinc/77/65/65/437776565.db2.gz AXYNREBLAOJXQW-UHFFFAOYSA-N 1 3 348.447 0.953 20 0 ECADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000423609579 437777648 /nfs/dbraw/zinc/77/76/48/437777648.db2.gz MBPDETCKKNFCGV-CQSZACIVSA-N 1 3 338.477 0.459 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000423614690 437780422 /nfs/dbraw/zinc/78/04/22/437780422.db2.gz TWANOJWDVPBIBR-AWEZNQCLSA-N 1 3 336.436 0.380 20 0 ECADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000423617132 437780564 /nfs/dbraw/zinc/78/05/64/437780564.db2.gz GKADBTHSKQGEPV-MAUKXSAKSA-N 1 3 338.496 0.763 20 0 ECADHO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)ccc1OCCN(C)C ZINC000415377176 437793604 /nfs/dbraw/zinc/79/36/04/437793604.db2.gz LQSQBLAUHWVWLN-OAHLLOKOSA-N 1 3 348.447 0.742 20 0 ECADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000423694976 437805552 /nfs/dbraw/zinc/80/55/52/437805552.db2.gz BLWYRFBANXXXTH-JKSUJKDBSA-N 1 3 338.496 0.763 20 0 ECADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[NH3+])cc2)CC1 ZINC000415648962 437836696 /nfs/dbraw/zinc/83/66/96/437836696.db2.gz HMJVKIQHHBUNCO-AWEZNQCLSA-N 1 3 347.463 0.226 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000371136247 437887946 /nfs/dbraw/zinc/88/79/46/437887946.db2.gz APLPAKVJTOIOOQ-KRWDZBQOSA-N 1 3 335.496 0.668 20 0 ECADHO COCCCN(C)CCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424459219 437944516 /nfs/dbraw/zinc/94/45/16/437944516.db2.gz VNDJPBPCHYIDJR-UHFFFAOYSA-N 1 3 336.436 0.477 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000342080276 437961311 /nfs/dbraw/zinc/96/13/11/437961311.db2.gz TZGBCDZNUTXSHI-AWEZNQCLSA-N 1 3 326.485 0.632 20 0 ECADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000342080276 437961314 /nfs/dbraw/zinc/96/13/14/437961314.db2.gz TZGBCDZNUTXSHI-AWEZNQCLSA-N 1 3 326.485 0.632 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N(C)C1CC1 ZINC000342086251 437962702 /nfs/dbraw/zinc/96/27/02/437962702.db2.gz MCRMZHIGQLVQIB-WYQXTGKHSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N(C)C1CC1 ZINC000342086251 437962709 /nfs/dbraw/zinc/96/27/09/437962709.db2.gz MCRMZHIGQLVQIB-WYQXTGKHSA-N 1 3 336.480 0.717 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C[C@H]1C ZINC000342087002 437963233 /nfs/dbraw/zinc/96/32/33/437963233.db2.gz NWVWYSQQJOWITQ-FMKPAKJESA-N 1 3 338.496 0.917 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C[C@H]1C ZINC000342087002 437963238 /nfs/dbraw/zinc/96/32/38/437963238.db2.gz NWVWYSQQJOWITQ-FMKPAKJESA-N 1 3 338.496 0.917 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]21 ZINC000342117650 437970290 /nfs/dbraw/zinc/97/02/90/437970290.db2.gz ZAUQXTZTETXTJI-OUAUKWLOSA-N 1 3 336.358 0.824 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417434288 438047990 /nfs/dbraw/zinc/04/79/90/438047990.db2.gz XBKVLKZDAQQLGH-RYUDHWBXSA-N 1 3 349.426 0.211 20 0 ECADHO CN(C)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)Cc1ccccc1 ZINC000416858314 437996457 /nfs/dbraw/zinc/99/64/57/437996457.db2.gz YWSZYIZTUHGKCD-IRXDYDNUSA-N 1 3 333.480 0.362 20 0 ECADHO CN(C)CCOc1cc(CNC(=O)N2CCC(C[NH3+])CC2)ccn1 ZINC000417948702 438095246 /nfs/dbraw/zinc/09/52/46/438095246.db2.gz JDDIHEWDGXOWRW-UHFFFAOYSA-N 1 3 335.452 0.902 20 0 ECADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NC[C@H]1CCC[NH2+]1 ZINC000417993037 438100054 /nfs/dbraw/zinc/10/00/54/438100054.db2.gz NJOZUJUSNOGTFU-IAGOWNOFSA-N 1 3 332.448 0.804 20 0 ECADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N(C)C2CC([NH3+])C2)c1 ZINC000417478531 438055020 /nfs/dbraw/zinc/05/50/20/438055020.db2.gz SDRKLAVIYMGKIR-UHFFFAOYSA-N 1 3 347.463 0.609 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418299885 438127973 /nfs/dbraw/zinc/12/79/73/438127973.db2.gz OTZADEMMVFGZHN-UHFFFAOYSA-N 1 3 337.468 0.648 20 0 ECADHO O=C(C[C@H]1CNCCO1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000430781972 438122629 /nfs/dbraw/zinc/12/26/29/438122629.db2.gz GGJRCFKJUYRCFP-INIZCTEOSA-N 1 3 325.453 0.468 20 0 ECADHO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418333173 438131391 /nfs/dbraw/zinc/13/13/91/438131391.db2.gz GJGLXWNJNHOPOZ-APWZRJJASA-N 1 3 346.475 0.922 20 0 ECADHO O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418366930 438136039 /nfs/dbraw/zinc/13/60/39/438136039.db2.gz KOSRJVZKRNFCND-FGTMMUONSA-N 1 3 346.475 0.921 20 0 ECADHO CC(C)C[C@H](NC(=O)NC[C@@H]([NH3+])C(C)C)C(=O)NCCN(C)C ZINC000418385478 438139353 /nfs/dbraw/zinc/13/93/53/438139353.db2.gz LLVRRKHZZLVTAV-KGLIPLIRSA-N 1 3 329.489 0.361 20 0 ECADHO CCN1CC[NH+](CCCCNC(=O)c2csc(CN)n2)CC1 ZINC000431014482 438141185 /nfs/dbraw/zinc/14/11/85/438141185.db2.gz JMXSBHTYFSMZKZ-UHFFFAOYSA-N 1 3 325.482 0.749 20 0 ECADHO CC[NH+]1CCN(CCCCNC(=O)c2csc(CN)n2)CC1 ZINC000431014482 438141189 /nfs/dbraw/zinc/14/11/89/438141189.db2.gz JMXSBHTYFSMZKZ-UHFFFAOYSA-N 1 3 325.482 0.749 20 0 ECADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418431462 438144860 /nfs/dbraw/zinc/14/48/60/438144860.db2.gz XMZCEPDILDIDRC-AWEZNQCLSA-N 1 3 339.484 0.452 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000358089037 438148101 /nfs/dbraw/zinc/14/81/01/438148101.db2.gz BHRKGHGQWNHYNJ-MRXNPFEDSA-N 1 3 338.496 0.779 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418475790 438149207 /nfs/dbraw/zinc/14/92/07/438149207.db2.gz RKSQEVDKNVHNRE-ZBFHGGJFSA-N 1 3 349.479 0.170 20 0 ECADHO COC[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)OC ZINC000358101822 438150377 /nfs/dbraw/zinc/15/03/77/438150377.db2.gz RKUABQDHNUXGCT-INIZCTEOSA-N 1 3 342.484 0.506 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000358098632 438150420 /nfs/dbraw/zinc/15/04/20/438150420.db2.gz PVUXWVDOMXJNBJ-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000358098632 438150423 /nfs/dbraw/zinc/15/04/23/438150423.db2.gz PVUXWVDOMXJNBJ-HZPDHXFCSA-N 1 3 338.496 0.777 20 0 ECADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418678549 438175218 /nfs/dbraw/zinc/17/52/18/438175218.db2.gz VYAWWWOODAZJIC-GJZGRUSLSA-N 1 3 339.484 0.452 20 0 ECADHO CN(CCCN(C)C(=O)NC[C@@H]1C[NH2+]CCN1C)Cc1ccco1 ZINC000418751327 438182466 /nfs/dbraw/zinc/18/24/66/438182466.db2.gz AGAWIXBCFGASQR-HNNXBMFYSA-N 1 3 337.468 0.647 20 0 ECADHO CC1CCN(C[C@@H](O)CNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418751618 438183212 /nfs/dbraw/zinc/18/32/12/438183212.db2.gz RLNJKWRFXPGHMO-CVEARBPZSA-N 1 3 326.485 0.911 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000349831337 438183353 /nfs/dbraw/zinc/18/33/53/438183353.db2.gz HYBRLHHIJLBCCG-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000349831337 438183355 /nfs/dbraw/zinc/18/33/55/438183355.db2.gz HYBRLHHIJLBCCG-GJZGRUSLSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000349831340 438183367 /nfs/dbraw/zinc/18/33/67/438183367.db2.gz HYBRLHHIJLBCCG-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000349831340 438183369 /nfs/dbraw/zinc/18/33/69/438183369.db2.gz HYBRLHHIJLBCCG-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO [NH3+]CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418508944 438152349 /nfs/dbraw/zinc/15/23/49/438152349.db2.gz LQVNPUNACOTGPT-SJORKVTESA-N 1 3 334.464 0.908 20 0 ECADHO O=C(CNC(=O)NCC[C@H]1CCC[NH2+]1)NCCN1CCCCCC1 ZINC000418556253 438160536 /nfs/dbraw/zinc/16/05/36/438160536.db2.gz YCNOJVVKZNJWTH-OAHLLOKOSA-N 1 3 339.484 0.420 20 0 ECADHO CC(C)C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(=O)NCCN(C)C ZINC000418598820 438164577 /nfs/dbraw/zinc/16/45/77/438164577.db2.gz QSZKYBHXFSGASK-ILXRZTDVSA-N 1 3 341.500 0.376 20 0 ECADHO CC(C)(CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N1CCCCC1 ZINC000418846401 438215263 /nfs/dbraw/zinc/21/52/63/438215263.db2.gz YBSWJAPEZYJDNF-UHFFFAOYSA-N 1 3 338.496 0.873 20 0 ECADHO [NH3+]C1CCN(CCCC(=O)Nc2ccn(-c3ccncc3)n2)CC1 ZINC000433130862 438224734 /nfs/dbraw/zinc/22/47/34/438224734.db2.gz BFIZLUFCNNNRQE-UHFFFAOYSA-N 1 3 328.420 1.409 20 0 ECADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccnc2)[C@H]2CCC[C@H]21 ZINC000367611664 438229632 /nfs/dbraw/zinc/22/96/32/438229632.db2.gz CPTLLLYGXAIVTD-OWCLPIDISA-N 1 3 338.477 0.822 20 0 ECADHO C[N@H+](C[C@H](O)CN1CCOCC1)CC1CCN(c2ccncc2)CC1 ZINC000374837022 438232401 /nfs/dbraw/zinc/23/24/01/438232401.db2.gz HSUQNLVVJKSUIW-IBGZPJMESA-N 1 3 348.491 0.923 20 0 ECADHO C[N@@H+](C[C@H](O)CN1CCOCC1)CC1CCN(c2ccncc2)CC1 ZINC000374837022 438232404 /nfs/dbraw/zinc/23/24/04/438232404.db2.gz HSUQNLVVJKSUIW-IBGZPJMESA-N 1 3 348.491 0.923 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[NH2+]1 ZINC000418878333 438232715 /nfs/dbraw/zinc/23/27/15/438232715.db2.gz QXDIGOYCFGOKSU-DJIMGWMZSA-N 1 3 346.475 0.532 20 0 ECADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000418879830 438234582 /nfs/dbraw/zinc/23/45/82/438234582.db2.gz UIOWCQBVGLYIFQ-JKSUJKDBSA-N 1 3 332.448 0.096 20 0 ECADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418880571 438235547 /nfs/dbraw/zinc/23/55/47/438235547.db2.gz VOLUIOPLOPOTEQ-CVEARBPZSA-N 1 3 334.464 0.375 20 0 ECADHO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](N2CCCC2)C1 ZINC000433371607 438243790 /nfs/dbraw/zinc/24/37/90/438243790.db2.gz BSOGCWCEZYOGEH-HUUCEWRRSA-N 1 3 332.452 0.903 20 0 ECADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000350982154 438245287 /nfs/dbraw/zinc/24/52/87/438245287.db2.gz IBZRLUFHGGDHBS-HNNXBMFYSA-N 1 3 326.485 0.776 20 0 ECADHO CN(CC[NH3+])C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418818016 438199205 /nfs/dbraw/zinc/19/92/05/438199205.db2.gz NEMQSRSNBCMXKX-SFHVURJKSA-N 1 3 332.448 0.574 20 0 ECADHO COCC1(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC[NH2+]CC1 ZINC000367374359 438200444 /nfs/dbraw/zinc/20/04/44/438200444.db2.gz HVQDVRNVFLHHFB-HBUWYVDXSA-N 1 3 339.480 0.651 20 0 ECADHO CN1CCN(C(=O)CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)CC1 ZINC000367396666 438203846 /nfs/dbraw/zinc/20/38/46/438203846.db2.gz METYNYKTORCFIM-INIZCTEOSA-N 1 3 334.508 0.957 20 0 ECADHO CN1CCN(C(=O)CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)CC1 ZINC000367396666 438203849 /nfs/dbraw/zinc/20/38/49/438203849.db2.gz METYNYKTORCFIM-INIZCTEOSA-N 1 3 334.508 0.957 20 0 ECADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418842326 438210105 /nfs/dbraw/zinc/21/01/05/438210105.db2.gz BJSKQIZJEADBIS-IRXDYDNUSA-N 1 3 348.491 0.765 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000418935947 438256121 /nfs/dbraw/zinc/25/61/21/438256121.db2.gz AYNVICLVMQSULW-IIAWOOMASA-N 1 3 332.448 0.429 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N(C)Cc1ccccc1 ZINC000418954984 438264294 /nfs/dbraw/zinc/26/42/94/438264294.db2.gz XCOTXHQUFCBOSI-OIISXLGYSA-N 1 3 344.459 0.443 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCN1C ZINC000418967023 438267281 /nfs/dbraw/zinc/26/72/81/438267281.db2.gz RFCQTEMNGSGYSZ-DOTOQJQBSA-N 1 3 346.475 0.963 20 0 ECADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000418987428 438273195 /nfs/dbraw/zinc/27/31/95/438273195.db2.gz PVFUVNSLQQYVOE-IAGOWNOFSA-N 1 3 344.459 0.432 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000358676623 438278131 /nfs/dbraw/zinc/27/81/31/438278131.db2.gz DSYRNBDMUOAAPY-UXLLHSPISA-N 1 3 326.485 0.720 20 0 ECADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000358676623 438278134 /nfs/dbraw/zinc/27/81/34/438278134.db2.gz DSYRNBDMUOAAPY-UXLLHSPISA-N 1 3 326.485 0.720 20 0 ECADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419027995 438296534 /nfs/dbraw/zinc/29/65/34/438296534.db2.gz PNHWDPMQBVXXKM-LSDHHAIUSA-N 1 3 338.496 0.729 20 0 ECADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351554314 438286225 /nfs/dbraw/zinc/28/62/25/438286225.db2.gz HXQCQNBFFBZUKN-HYVNUMGLSA-N 1 3 344.459 0.806 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419021519 438292174 /nfs/dbraw/zinc/29/21/74/438292174.db2.gz HABPNXRBQCYRLA-YCPHGPKFSA-N 1 3 338.496 0.857 20 0 ECADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000419118605 438328632 /nfs/dbraw/zinc/32/86/32/438328632.db2.gz WZTAUWIJNCHVPD-GJZGRUSLSA-N 1 3 334.464 0.595 20 0 ECADHO C[C@H](C[NH3+])NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419032668 438296960 /nfs/dbraw/zinc/29/69/60/438296960.db2.gz KERSCFKOXARYIN-CYBMUJFWSA-N 1 3 342.509 0.318 20 0 ECADHO CCCN(C(=O)C(=O)NCCN1CCCC[C@@H]1CC)[C@@H]1CC[NH2+]C1 ZINC000419075374 438310974 /nfs/dbraw/zinc/31/09/74/438310974.db2.gz FTEGZKFRLDZNFT-JKSUJKDBSA-N 1 3 338.496 0.968 20 0 ECADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419078424 438312663 /nfs/dbraw/zinc/31/26/63/438312663.db2.gz LADQYDRUVDZYDU-GOEBONIOSA-N 1 3 338.496 0.953 20 0 ECADHO CC[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N(CC)CC ZINC000434708927 438317631 /nfs/dbraw/zinc/31/76/31/438317631.db2.gz WGZRXDUFTNROSR-LSDHHAIUSA-N 1 3 326.485 0.953 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420118749 438387997 /nfs/dbraw/zinc/38/79/97/438387997.db2.gz MTBLYOQGTUEMOJ-OWCLPIDISA-N 1 3 336.480 0.578 20 0 ECADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000420118836 438389095 /nfs/dbraw/zinc/38/90/95/438389095.db2.gz INHIXKRDQPICNX-BBRMVZONSA-N 1 3 332.448 0.875 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419146590 438348024 /nfs/dbraw/zinc/34/80/24/438348024.db2.gz BIOFNRWDAADTBZ-GOEBONIOSA-N 1 3 332.448 0.131 20 0 ECADHO C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419146590 438348027 /nfs/dbraw/zinc/34/80/27/438348027.db2.gz BIOFNRWDAADTBZ-GOEBONIOSA-N 1 3 332.448 0.131 20 0 ECADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000419162885 438349190 /nfs/dbraw/zinc/34/91/90/438349190.db2.gz VOEANTCUJFGUKZ-ARFHVFGLSA-N 1 3 338.496 0.809 20 0 ECADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419171232 438349237 /nfs/dbraw/zinc/34/92/37/438349237.db2.gz ONQYRSKDTWTWEN-CVEARBPZSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000351860943 438349933 /nfs/dbraw/zinc/34/99/33/438349933.db2.gz JRPAHAGYCKVFLU-GJZGRUSLSA-N 1 3 332.452 0.184 20 0 ECADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000351859241 438350718 /nfs/dbraw/zinc/35/07/18/438350718.db2.gz GCGJWURQEAYBHL-HZPDHXFCSA-N 1 3 331.464 0.789 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C[C@H]1[NH3+] ZINC000419425802 438357201 /nfs/dbraw/zinc/35/72/01/438357201.db2.gz PSRJNASPWYUBQM-DJIMGWMZSA-N 1 3 344.459 0.745 20 0 ECADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419431700 438357926 /nfs/dbraw/zinc/35/79/26/438357926.db2.gz XREFLBKOPRFCIF-HNNXBMFYSA-N 1 3 344.459 0.358 20 0 ECADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419521890 438363218 /nfs/dbraw/zinc/36/32/18/438363218.db2.gz LKSAGDFARKFMGD-AVGNSLFASA-N 1 3 328.457 0.062 20 0 ECADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419521890 438363222 /nfs/dbraw/zinc/36/32/22/438363222.db2.gz LKSAGDFARKFMGD-AVGNSLFASA-N 1 3 328.457 0.062 20 0 ECADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)C1 ZINC000419699734 438368831 /nfs/dbraw/zinc/36/88/31/438368831.db2.gz RNHQDXGSKJDIEM-CVEARBPZSA-N 1 3 338.496 0.681 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419808120 438372082 /nfs/dbraw/zinc/37/20/82/438372082.db2.gz UJMNWYRPOAPKTC-AWEZNQCLSA-N 1 3 338.496 0.953 20 0 ECADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419850422 438373675 /nfs/dbraw/zinc/37/36/75/438373675.db2.gz LMADKBCLBMTIOX-MRXNPFEDSA-N 1 3 347.463 0.230 20 0 ECADHO Cc1cc(N2CCN(CCC3CC[NH2+]CC3)CC2)n2ncnc2n1 ZINC000359209723 438378847 /nfs/dbraw/zinc/37/88/47/438378847.db2.gz DIEKTRIEGMXCDY-UHFFFAOYSA-N 1 3 329.452 0.944 20 0 ECADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420033615 438384094 /nfs/dbraw/zinc/38/40/94/438384094.db2.gz WCVZFJLSJDDSNU-HNNXBMFYSA-N 1 3 334.464 0.820 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC000352444068 438424396 /nfs/dbraw/zinc/42/43/96/438424396.db2.gz WMBGATKKBASXEI-UHFFFAOYSA-N 1 3 328.501 0.974 20 0 ECADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC000352444068 438424401 /nfs/dbraw/zinc/42/44/01/438424401.db2.gz WMBGATKKBASXEI-UHFFFAOYSA-N 1 3 328.501 0.974 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000359393378 438427052 /nfs/dbraw/zinc/42/70/52/438427052.db2.gz RMXHTSDBFLWWSL-WBVHZDCISA-N 1 3 335.496 0.645 20 0 ECADHO CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000359393378 438427055 /nfs/dbraw/zinc/42/70/55/438427055.db2.gz RMXHTSDBFLWWSL-WBVHZDCISA-N 1 3 335.496 0.645 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000359260194 438395181 /nfs/dbraw/zinc/39/51/81/438395181.db2.gz BOLOOFLESJWDTC-HOTGVXAUSA-N 1 3 340.512 0.927 20 0 ECADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000359260194 438395185 /nfs/dbraw/zinc/39/51/85/438395185.db2.gz BOLOOFLESJWDTC-HOTGVXAUSA-N 1 3 340.512 0.927 20 0 ECADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327535 438398507 /nfs/dbraw/zinc/39/85/07/438398507.db2.gz LMJUKPMDUGRENR-UGUYLWEFSA-N 1 3 336.480 0.420 20 0 ECADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000359276772 438402262 /nfs/dbraw/zinc/40/22/62/438402262.db2.gz RKYRBVXZQMFYLG-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000359276772 438402268 /nfs/dbraw/zinc/40/22/68/438402268.db2.gz RKYRBVXZQMFYLG-HZPDHXFCSA-N 1 3 338.496 0.920 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)CN[C@H](C[NH3+])C(C)(C)C)C1 ZINC000420356315 438403053 /nfs/dbraw/zinc/40/30/53/438403053.db2.gz GBNCECSJWKNKCP-LSDHHAIUSA-N 1 3 328.501 0.422 20 0 ECADHO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+][C@H](CN)C(C)(C)C)C1 ZINC000420356315 438403058 /nfs/dbraw/zinc/40/30/58/438403058.db2.gz GBNCECSJWKNKCP-LSDHHAIUSA-N 1 3 328.501 0.422 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000420407490 438407376 /nfs/dbraw/zinc/40/73/76/438407376.db2.gz UESXVAQAMXIMEF-CYBMUJFWSA-N 1 3 329.470 0.092 20 0 ECADHO CCN(CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C1CC1 ZINC000359324287 438412791 /nfs/dbraw/zinc/41/27/91/438412791.db2.gz QPVZEXPSDHIPJU-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000421504922 438489951 /nfs/dbraw/zinc/48/99/51/438489951.db2.gz BHDZKYALMPFNMG-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000421504922 438489954 /nfs/dbraw/zinc/48/99/54/438489954.db2.gz BHDZKYALMPFNMG-INIZCTEOSA-N 1 3 338.496 0.776 20 0 ECADHO CC1CC[NH+](CCCNC(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000420972316 438454572 /nfs/dbraw/zinc/45/45/72/438454572.db2.gz KHHGAWOBGZGRPA-MRXNPFEDSA-N 1 3 338.496 0.777 20 0 ECADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000422083847 438515087 /nfs/dbraw/zinc/51/50/87/438515087.db2.gz JLWXQRVIYGDHAU-CVEARBPZSA-N 1 3 338.496 0.776 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000422103479 438519440 /nfs/dbraw/zinc/51/94/40/438519440.db2.gz GWHDWCFFSNYDOG-HNNXBMFYSA-N 1 3 336.480 0.626 20 0 ECADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422112817 438521376 /nfs/dbraw/zinc/52/13/76/438521376.db2.gz GZZZRKVTROOHBA-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422112817 438521379 /nfs/dbraw/zinc/52/13/79/438521379.db2.gz GZZZRKVTROOHBA-CVEARBPZSA-N 1 3 338.496 0.729 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000422116698 438522565 /nfs/dbraw/zinc/52/25/65/438522565.db2.gz LDOKWNRHMSLRTM-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000422116698 438522567 /nfs/dbraw/zinc/52/25/67/438522567.db2.gz LDOKWNRHMSLRTM-OWCLPIDISA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353705523 438525445 /nfs/dbraw/zinc/52/54/45/438525445.db2.gz CPBDAKOOJXKPMV-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353705523 438525449 /nfs/dbraw/zinc/52/54/49/438525449.db2.gz CPBDAKOOJXKPMV-IAGOWNOFSA-N 1 3 337.512 0.892 20 0 ECADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422323796 438552616 /nfs/dbraw/zinc/55/26/16/438552616.db2.gz GVTHUIOVAKJVAY-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422323796 438552618 /nfs/dbraw/zinc/55/26/18/438552618.db2.gz GVTHUIOVAKJVAY-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO C[C@@H](CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[NH+]1CCCCC1 ZINC000422382629 438561001 /nfs/dbraw/zinc/56/10/01/438561001.db2.gz PDEPUXAJYVIGOU-HOTGVXAUSA-N 1 3 338.496 0.920 20 0 ECADHO COC[C@@H](CCC[NH3+])NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000423096044 438637615 /nfs/dbraw/zinc/63/76/15/438637615.db2.gz NVCSCKHDXGGARQ-CQSZACIVSA-N 1 3 347.456 0.790 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@@H]1C ZINC000410723616 438642393 /nfs/dbraw/zinc/64/23/93/438642393.db2.gz GVJSXADNSAKUKS-HOCLYGCPSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@@H]1C ZINC000410723616 438642395 /nfs/dbraw/zinc/64/23/95/438642395.db2.gz GVJSXADNSAKUKS-HOCLYGCPSA-N 1 3 338.496 0.870 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@@H]1C ZINC000410726716 438643792 /nfs/dbraw/zinc/64/37/92/438643792.db2.gz XFMUYFLFWBANHC-YHUYYLMFSA-N 1 3 336.480 0.480 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@@H]1C ZINC000410726716 438643795 /nfs/dbraw/zinc/64/37/95/438643795.db2.gz XFMUYFLFWBANHC-YHUYYLMFSA-N 1 3 336.480 0.480 20 0 ECADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)C1 ZINC000423164400 438644569 /nfs/dbraw/zinc/64/45/69/438644569.db2.gz OLRREMBMHPNJBN-MRXNPFEDSA-N 1 3 336.480 0.661 20 0 ECADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)[C@H](C)C1 ZINC000410732681 438645223 /nfs/dbraw/zinc/64/52/23/438645223.db2.gz SSCQXOUZFLYXCZ-ZBFHGGJFSA-N 1 3 338.496 0.728 20 0 ECADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN(C)C2CC2)[C@H](C)C1 ZINC000410732681 438645227 /nfs/dbraw/zinc/64/52/27/438645227.db2.gz SSCQXOUZFLYXCZ-ZBFHGGJFSA-N 1 3 338.496 0.728 20 0 ECADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000410732332 438646261 /nfs/dbraw/zinc/64/62/61/438646261.db2.gz RXHPNFYSQFWRLL-CVEARBPZSA-N 1 3 336.480 0.626 20 0 ECADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423271604 438654736 /nfs/dbraw/zinc/65/47/36/438654736.db2.gz YAMGMJDWQJUQOV-QGZVFWFLSA-N 1 3 342.484 0.001 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000410779717 438655660 /nfs/dbraw/zinc/65/56/60/438655660.db2.gz MDOSHNONEOVIRT-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410779717 438655662 /nfs/dbraw/zinc/65/56/62/438655662.db2.gz MDOSHNONEOVIRT-ZBFHGGJFSA-N 1 3 336.480 0.482 20 0 ECADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442600186 438611085 /nfs/dbraw/zinc/61/10/85/438611085.db2.gz QLSPBEDREHUUNB-HZPDHXFCSA-N 1 3 339.528 0.994 20 0 ECADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442600186 438611088 /nfs/dbraw/zinc/61/10/88/438611088.db2.gz QLSPBEDREHUUNB-HZPDHXFCSA-N 1 3 339.528 0.994 20 0 ECADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410881893 438665987 /nfs/dbraw/zinc/66/59/87/438665987.db2.gz DCEBRTJLTXPIQD-UHFFFAOYSA-N 1 3 326.485 0.585 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423508868 438682318 /nfs/dbraw/zinc/68/23/18/438682318.db2.gz LNVAAKSKOCDOOI-UHFFFAOYSA-N 1 3 336.480 0.531 20 0 ECADHO CC(C)[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)N(C)C ZINC000554453031 438762737 /nfs/dbraw/zinc/76/27/37/438762737.db2.gz QROONXQLBKSQKX-MRXNPFEDSA-N 1 3 326.485 0.681 20 0 ECADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000576642863 438790987 /nfs/dbraw/zinc/79/09/87/438790987.db2.gz GCBIRZDKYPGDSD-AWEZNQCLSA-N 1 3 338.496 0.763 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000577122755 438815787 /nfs/dbraw/zinc/81/57/87/438815787.db2.gz VSPYLNWOVFWFAS-UHFFFAOYSA-N 1 3 337.468 0.364 20 0 ECADHO CN(C)CCn1ccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000577122755 438815792 /nfs/dbraw/zinc/81/57/92/438815792.db2.gz VSPYLNWOVFWFAS-UHFFFAOYSA-N 1 3 337.468 0.364 20 0 ECADHO CC[NH2+]CCCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000515620818 438877079 /nfs/dbraw/zinc/87/70/79/438877079.db2.gz ITVGXGBNKDOAPJ-UHFFFAOYSA-N 1 3 327.473 0.277 20 0 ECADHO C[C@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000564873137 438880317 /nfs/dbraw/zinc/88/03/17/438880317.db2.gz KOICRDNZCYEWDC-WDSOQIARSA-N 1 3 334.508 0.876 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000516857007 438929615 /nfs/dbraw/zinc/92/96/15/438929615.db2.gz VGPQHODRUVJKAD-LYYZXLFJSA-N 1 3 336.480 0.419 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(O)(COC)C3)CC2)CC1 ZINC000578547827 438932845 /nfs/dbraw/zinc/93/28/45/438932845.db2.gz FGWAEWOZSOPHAC-UHFFFAOYSA-N 1 3 339.480 0.402 20 0 ECADHO CN(C)C1(CNC(=O)NCCN2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000579211493 438990750 /nfs/dbraw/zinc/99/07/50/438990750.db2.gz XSAKUNOXWVQHMQ-UHFFFAOYSA-N 1 3 345.491 0.290 20 0 ECADHO COC[C@H](C)OC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000580064196 439059312 /nfs/dbraw/zinc/05/93/12/439059312.db2.gz OZFRQOFHYSOTEB-RKTXRCNFSA-N 1 3 330.469 0.366 20 0 ECADHO CC(=O)NCCN(C)Cc1cccc(C[N@H+](C)CCNC(C)=O)c1 ZINC000566186019 439020321 /nfs/dbraw/zinc/02/03/21/439020321.db2.gz DHPIVMZTVHLJDM-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO CC(=O)NCCN(C)Cc1cccc(C[N@@H+](C)CCNC(C)=O)c1 ZINC000566186019 439020326 /nfs/dbraw/zinc/02/03/26/439020326.db2.gz DHPIVMZTVHLJDM-UHFFFAOYSA-N 1 3 334.464 0.822 20 0 ECADHO CCN1CC[C@H](N(C)C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H]1C ZINC000566296404 439039009 /nfs/dbraw/zinc/03/90/09/439039009.db2.gz MJBKHSMAQDQCHO-KFWWJZLASA-N 1 3 334.468 0.975 20 0 ECADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000479468289 439117475 /nfs/dbraw/zinc/11/74/75/439117475.db2.gz CVQDXBXGHPXJFR-HOCLYGCPSA-N 1 3 338.496 0.585 20 0 ECADHO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000580677337 439117501 /nfs/dbraw/zinc/11/75/01/439117501.db2.gz CJMGSTABMOYOIH-QGZVFWFLSA-N 1 3 348.491 0.674 20 0 ECADHO C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC(C)CC1 ZINC000580949667 439150945 /nfs/dbraw/zinc/15/09/45/439150945.db2.gz STEFYTDOZLNJLB-GJZGRUSLSA-N 1 3 334.468 0.880 20 0 ECADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)C[C@H]1CN ZINC000567572298 439152879 /nfs/dbraw/zinc/15/28/79/439152879.db2.gz PURMUWPZVQHBEL-QKPAOTATSA-N 1 3 325.501 0.637 20 0 ECADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)C[C@H]1CN ZINC000567572298 439152883 /nfs/dbraw/zinc/15/28/83/439152883.db2.gz PURMUWPZVQHBEL-QKPAOTATSA-N 1 3 325.501 0.637 20 0 ECADHO Cc1cc(NC(=O)CCNC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)no1 ZINC000567689277 439163503 /nfs/dbraw/zinc/16/35/03/439163503.db2.gz GTJVQSJADQRMMW-GJZGRUSLSA-N 1 3 336.436 1.279 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000567917283 439196791 /nfs/dbraw/zinc/19/67/91/439196791.db2.gz DMMOYGIMURSSFN-UONOGXRCSA-N 1 3 339.484 0.369 20 0 ECADHO CCN1CCC(n2nccc2NC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000567968243 439198858 /nfs/dbraw/zinc/19/88/58/439198858.db2.gz ULUPYJWGSTUPCJ-UHFFFAOYSA-N 1 3 346.439 0.733 20 0 ECADHO CCCNC(=O)CCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000568165775 439218260 /nfs/dbraw/zinc/21/82/60/439218260.db2.gz XDTFJGZCECFBOL-UHFFFAOYSA-N 1 3 326.485 0.683 20 0 ECADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592558811 439254875 /nfs/dbraw/zinc/25/48/75/439254875.db2.gz OXBLLCLJVPPLGX-AIANPOQGSA-N 1 3 337.464 0.718 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000569221140 439312879 /nfs/dbraw/zinc/31/28/79/439312879.db2.gz GYMPHJKJXGKZIN-UHFFFAOYSA-N 1 3 343.497 0.421 20 0 ECADHO CC(C)(C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000582431554 439336430 /nfs/dbraw/zinc/33/64/30/439336430.db2.gz IUOOEILJMMIYLL-RRFJBIMHSA-N 1 3 330.432 0.483 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC1CNC1 ZINC000568858113 439285341 /nfs/dbraw/zinc/28/53/41/439285341.db2.gz IGKRERSWGTVVSK-CJNGLKHVSA-N 1 3 330.432 0.101 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC1CNC1 ZINC000568858113 439285345 /nfs/dbraw/zinc/28/53/45/439285345.db2.gz IGKRERSWGTVVSK-CJNGLKHVSA-N 1 3 330.432 0.101 20 0 ECADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000569123842 439307467 /nfs/dbraw/zinc/30/74/67/439307467.db2.gz YMRRODKADCCSMO-AICCOOGYSA-N 1 3 326.485 0.711 20 0 ECADHO NC[C@@H]1c2ccccc2CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000582548360 439349623 /nfs/dbraw/zinc/34/96/23/439349623.db2.gz WRCRYLJLVUFEHS-JKSUJKDBSA-N 1 3 330.432 0.329 20 0 ECADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC[C@H]1N1CCN(C)CC1 ZINC000529355711 439412031 /nfs/dbraw/zinc/41/20/31/439412031.db2.gz MZDBRFIPHSKPEO-BRWVUGGUSA-N 1 3 349.523 0.938 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000570464391 439423781 /nfs/dbraw/zinc/42/37/81/439423781.db2.gz SHRZXJRJXHHKIP-INIZCTEOSA-N 1 3 330.432 0.245 20 0 ECADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000583216131 439436886 /nfs/dbraw/zinc/43/68/86/439436886.db2.gz BAGGCGJJUNHVSD-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000583216131 439436890 /nfs/dbraw/zinc/43/68/90/439436890.db2.gz BAGGCGJJUNHVSD-WMLDXEAASA-N 1 3 348.491 0.672 20 0 ECADHO CN1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)[C@@H](CN)C1 ZINC000583252046 439438481 /nfs/dbraw/zinc/43/84/81/439438481.db2.gz FHSXXQKYVUQAJB-HOTGVXAUSA-N 1 3 325.501 0.781 20 0 ECADHO CCOC(=O)C[C@H](O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000599371738 439449178 /nfs/dbraw/zinc/44/91/78/439449178.db2.gz QDRQBYAMIVMZPC-INIZCTEOSA-N 1 3 341.496 0.650 20 0 ECADHO CC[C@@H]1CN(C)CCN1C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000571261552 439487707 /nfs/dbraw/zinc/48/77/07/439487707.db2.gz MLZIXDXHTLIWBD-DLBZAZTESA-N 1 3 339.528 0.996 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000530209999 439490992 /nfs/dbraw/zinc/49/09/92/439490992.db2.gz JLIOZKHAAYTMNV-GDBMZVCRSA-N 1 3 336.480 0.707 20 0 ECADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)C2)C1 ZINC000583928887 439528953 /nfs/dbraw/zinc/52/89/53/439528953.db2.gz YADZIZTZOXTDQP-CRAIPNDOSA-N 1 3 336.480 0.518 20 0 ECADHO CN(C)CCN1CCC(NC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000583939396 439530012 /nfs/dbraw/zinc/53/00/12/439530012.db2.gz LQRWMPGHHPKVIJ-UHFFFAOYSA-N 1 3 325.501 0.783 20 0 ECADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000571984089 439547593 /nfs/dbraw/zinc/54/75/93/439547593.db2.gz HCTCABDCDAMDTC-QZTJIDSGSA-N 1 3 345.491 0.854 20 0 ECADHO C[C@H](CN1CCN(c2ccccn2)CC1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000584167775 439557394 /nfs/dbraw/zinc/55/73/94/439557394.db2.gz GRKTWRDNLDHJNQ-AEFFLSMTSA-N 1 3 347.507 0.637 20 0 ECADHO C[C@H](CN1CCN(c2ccccn2)CC1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000584167775 439557399 /nfs/dbraw/zinc/55/73/99/439557399.db2.gz GRKTWRDNLDHJNQ-AEFFLSMTSA-N 1 3 347.507 0.637 20 0 ECADHO O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405423 439584142 /nfs/dbraw/zinc/58/41/42/439584142.db2.gz FYGMWVMCGIPZEY-WOJBJXKFSA-N 1 3 347.503 0.834 20 0 ECADHO O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405423 439584146 /nfs/dbraw/zinc/58/41/46/439584146.db2.gz FYGMWVMCGIPZEY-WOJBJXKFSA-N 1 3 347.503 0.834 20 0 ECADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)CN1CCOCC1 ZINC000584405423 439584149 /nfs/dbraw/zinc/58/41/49/439584149.db2.gz FYGMWVMCGIPZEY-WOJBJXKFSA-N 1 3 347.503 0.834 20 0 ECADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1CCCCC1 ZINC000572587679 439592501 /nfs/dbraw/zinc/59/25/01/439592501.db2.gz GIGAUZVBTXSTRX-JKSUJKDBSA-N 1 3 336.480 0.707 20 0 ECADHO O=C(CCN1CC[C@@H](N2CC[NH2+]CC2)C1)NC(=O)Nc1ccccc1 ZINC000573348217 439641961 /nfs/dbraw/zinc/64/19/61/439641961.db2.gz YHNFBYNSOSEXOY-MRXNPFEDSA-N 1 3 345.447 0.704 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC[N@@H+]1C ZINC000573684851 439661851 /nfs/dbraw/zinc/66/18/51/439661851.db2.gz PPHDOBQIEWFQBG-KMFMINBZSA-N 1 3 344.459 0.670 20 0 ECADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC[N@H+]1C ZINC000573684851 439661855 /nfs/dbraw/zinc/66/18/55/439661855.db2.gz PPHDOBQIEWFQBG-KMFMINBZSA-N 1 3 344.459 0.670 20 0 ECADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000573823801 439669378 /nfs/dbraw/zinc/66/93/78/439669378.db2.gz ZOOXRLPIJYWMSV-AWEZNQCLSA-N 1 3 344.459 0.623 20 0 ECADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000573823801 439669382 /nfs/dbraw/zinc/66/93/82/439669382.db2.gz ZOOXRLPIJYWMSV-AWEZNQCLSA-N 1 3 344.459 0.623 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CN1C1CC1 ZINC000611640308 439714595 /nfs/dbraw/zinc/71/45/95/439714595.db2.gz FEGXWFRDKGAAOG-MCIONIFRSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CN1C1CC1 ZINC000611640308 439714599 /nfs/dbraw/zinc/71/45/99/439714599.db2.gz FEGXWFRDKGAAOG-MCIONIFRSA-N 1 3 336.480 0.717 20 0 ECADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000612485882 439717134 /nfs/dbraw/zinc/71/71/34/439717134.db2.gz OLZVTIUSGAUAGC-INIZCTEOSA-N 1 3 338.496 0.777 20 0 ECADHO Cc1cc(NC(=O)C(=O)N(C)CCC[NH3+])ccc1OCCN(C)C ZINC000573938123 439675503 /nfs/dbraw/zinc/67/55/03/439675503.db2.gz QBOQFJZGEYQTJP-UHFFFAOYSA-N 1 3 336.436 0.681 20 0 ECADHO Cc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)n1C ZINC000574256124 439693683 /nfs/dbraw/zinc/69/36/83/439693683.db2.gz KTWMCZYUAQPPFH-UHFFFAOYSA-N 1 3 337.468 0.329 20 0 ECADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574268958 439693886 /nfs/dbraw/zinc/69/38/86/439693886.db2.gz NUYVVZSKBRULDA-CRAIPNDOSA-N 1 3 336.480 0.389 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000612547024 439727411 /nfs/dbraw/zinc/72/74/11/439727411.db2.gz YBAPMTYYQMFRQG-HZPDHXFCSA-N 1 3 338.496 0.681 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000612547024 439727413 /nfs/dbraw/zinc/72/74/13/439727413.db2.gz YBAPMTYYQMFRQG-HZPDHXFCSA-N 1 3 338.496 0.681 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)C1 ZINC000612548356 439727473 /nfs/dbraw/zinc/72/74/73/439727473.db2.gz MISKTUCYYXHQRM-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)C1 ZINC000612548356 439727474 /nfs/dbraw/zinc/72/74/74/439727474.db2.gz MISKTUCYYXHQRM-JKSUJKDBSA-N 1 3 338.496 0.777 20 0 ECADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000612551173 439728513 /nfs/dbraw/zinc/72/85/13/439728513.db2.gz LSCFGNMYAVNKNQ-HOTGVXAUSA-N 1 3 336.480 0.674 20 0 ECADHO COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@]3(C2)CCCN(C)C3)C1=O ZINC000595505285 439735039 /nfs/dbraw/zinc/73/50/39/439735039.db2.gz PQLCRSWECMVNDE-CRAIPNDOSA-N 1 3 337.464 0.958 20 0 ECADHO COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C)C3)C1=O ZINC000595505285 439735041 /nfs/dbraw/zinc/73/50/41/439735041.db2.gz PQLCRSWECMVNDE-CRAIPNDOSA-N 1 3 337.464 0.958 20 0 ECADHO C[C@H](C[NH3+])CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916076 439745827 /nfs/dbraw/zinc/74/58/27/439745827.db2.gz VCTCOHSHNSUHJX-ZIAGYGMSSA-N 1 3 349.483 0.303 20 0 ECADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662724145 439861001 /nfs/dbraw/zinc/86/10/01/439861001.db2.gz MMJSVQPIGYURLK-INIZCTEOSA-N 1 3 346.475 0.982 20 0 ECADHO Cc1ccc(NC(=O)c2cn(CC[NH3+])nn2)c(OCCN(C)C)c1 ZINC000662733562 439864053 /nfs/dbraw/zinc/86/40/53/439864053.db2.gz IIAZPACKLYVAKS-UHFFFAOYSA-N 1 3 332.408 0.738 20 0 ECADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662660014 439837951 /nfs/dbraw/zinc/83/79/51/439837951.db2.gz ASAMFVYNNJZDLU-MRXNPFEDSA-N 1 3 342.447 0.626 20 0 ECADHO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(C(C)(C)N)no2)CC1 ZINC000662692541 439847605 /nfs/dbraw/zinc/84/76/05/439847605.db2.gz FJOQGCLAZHQSGI-UHFFFAOYSA-N 1 3 337.468 0.872 20 0 ECADHO CN(C)CCn1cc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cn1 ZINC000662700466 439851009 /nfs/dbraw/zinc/85/10/09/439851009.db2.gz IYIXCIZBEHYBKS-CQSZACIVSA-N 1 3 346.439 0.603 20 0 ECADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662706859 439851357 /nfs/dbraw/zinc/85/13/57/439851357.db2.gz XGOJIVWFBKFQEM-OAHLLOKOSA-N 1 3 344.459 0.650 20 0 ECADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662706859 439851364 /nfs/dbraw/zinc/85/13/64/439851364.db2.gz XGOJIVWFBKFQEM-OAHLLOKOSA-N 1 3 344.459 0.650 20 0 ECADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652468638 439858604 /nfs/dbraw/zinc/85/86/04/439858604.db2.gz MUNNJIMKLJGWQO-MRXNPFEDSA-N 1 3 338.496 0.731 20 0 ECADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652468638 439858612 /nfs/dbraw/zinc/85/86/12/439858612.db2.gz MUNNJIMKLJGWQO-MRXNPFEDSA-N 1 3 338.496 0.731 20 0 ECADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626791681 439884026 /nfs/dbraw/zinc/88/40/26/439884026.db2.gz DNSQVZVGRMNFQR-CYBMUJFWSA-N 1 3 348.447 0.954 20 0 ECADHO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626817619 439896314 /nfs/dbraw/zinc/89/63/14/439896314.db2.gz GEIWQYIANBCBAK-UHFFFAOYSA-N 1 3 348.447 0.907 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652673299 439911358 /nfs/dbraw/zinc/91/13/58/439911358.db2.gz KIQMHPSOZDDBDF-HUUCEWRRSA-N 1 3 338.496 0.810 20 0 ECADHO O=C(CNC[C@H]1CCCO1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662858029 439916682 /nfs/dbraw/zinc/91/66/82/439916682.db2.gz DNLSICHGJJJTIV-QZTJIDSGSA-N 1 3 347.459 0.638 20 0 ECADHO O=C(CNC[C@H]1CCCO1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662858029 439916689 /nfs/dbraw/zinc/91/66/89/439916689.db2.gz DNLSICHGJJJTIV-QZTJIDSGSA-N 1 3 347.459 0.638 20 0 ECADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000652686272 439919069 /nfs/dbraw/zinc/91/90/69/439919069.db2.gz CWSHQSWEHXISHZ-CYBMUJFWSA-N 1 3 332.448 0.621 20 0 ECADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000658505519 439966942 /nfs/dbraw/zinc/96/69/42/439966942.db2.gz DRDGIWNWZLWLLO-INIZCTEOSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642329767 439974309 /nfs/dbraw/zinc/97/43/09/439974309.db2.gz IUKXXFRORBCQQT-JONQDZQNSA-N 1 3 336.480 0.576 20 0 ECADHO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658536779 439984033 /nfs/dbraw/zinc/98/40/33/439984033.db2.gz XSWGYAFVWWXIQP-UHFFFAOYSA-N 1 3 348.447 0.715 20 0 ECADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)N1CCCCC1 ZINC000642084349 439946804 /nfs/dbraw/zinc/94/68/04/439946804.db2.gz FXGWISBOPOIGAK-SOUVJXGZSA-N 1 3 336.480 0.563 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642104423 439947954 /nfs/dbraw/zinc/94/79/54/439947954.db2.gz JYNXKZAMRGUAII-DLBZAZTESA-N 1 3 346.475 0.534 20 0 ECADHO CN(C)CCN1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1=O ZINC000652734635 439955459 /nfs/dbraw/zinc/95/54/59/439955459.db2.gz QXNFGQVUVBLOJG-UHFFFAOYSA-N 1 3 338.496 0.731 20 0 ECADHO CCCN1CCC[C@H]1C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000662943691 439959426 /nfs/dbraw/zinc/95/94/26/439959426.db2.gz XAUYXRAVGHHULQ-INIZCTEOSA-N 1 3 338.496 0.968 20 0 ECADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC1CNC1 ZINC000642253923 439961165 /nfs/dbraw/zinc/96/11/65/439961165.db2.gz QOWCXMNILODASK-OAHLLOKOSA-N 1 3 330.432 0.103 20 0 ECADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CNC1 ZINC000642253923 439961172 /nfs/dbraw/zinc/96/11/72/439961172.db2.gz QOWCXMNILODASK-OAHLLOKOSA-N 1 3 330.432 0.103 20 0 ECADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017694 439992538 /nfs/dbraw/zinc/99/25/38/439992538.db2.gz QXCNPGQGEJMVOD-SOUVJXGZSA-N 1 3 346.479 0.653 20 0 ECADHO O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017685 439992740 /nfs/dbraw/zinc/99/27/40/439992740.db2.gz QTFLMQPDSYWLIM-CABCVRRESA-N 1 3 346.479 0.525 20 0 ECADHO C[C@@H]([NH3+])CCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663019554 439993133 /nfs/dbraw/zinc/99/31/33/439993133.db2.gz TYCJOBYZONRDPL-KGLIPLIRSA-N 1 3 334.468 0.653 20 0 ECADHO CCN(CC)CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091762 439998752 /nfs/dbraw/zinc/99/87/52/439998752.db2.gz JCXBLGLMZUESBH-LSDHHAIUSA-N 1 3 337.468 0.075 20 0 ECADHO C[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000642724516 440016266 /nfs/dbraw/zinc/01/62/66/440016266.db2.gz SSUQTCFUSPNFIU-CJNGLKHVSA-N 1 3 338.496 0.857 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000636672924 439988581 /nfs/dbraw/zinc/98/85/81/439988581.db2.gz OAJSPWBXNWGLJT-DOTOQJQBSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000636672924 439988586 /nfs/dbraw/zinc/98/85/86/439988586.db2.gz OAJSPWBXNWGLJT-DOTOQJQBSA-N 1 3 348.491 0.720 20 0 ECADHO O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000636672924 439988592 /nfs/dbraw/zinc/98/85/92/439988592.db2.gz OAJSPWBXNWGLJT-DOTOQJQBSA-N 1 3 348.491 0.720 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642914264 440063782 /nfs/dbraw/zinc/06/37/82/440063782.db2.gz NINOLWZWGNREDV-MRXNPFEDSA-N 1 3 332.448 0.445 20 0 ECADHO CN(C)CCOc1ccc(CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653116714 440070365 /nfs/dbraw/zinc/07/03/65/440070365.db2.gz POMOHCCZZMXUCM-LPHOPBHVSA-N 1 3 347.459 0.522 20 0 ECADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642953198 440070576 /nfs/dbraw/zinc/07/05/76/440070576.db2.gz CFEIIQXZGROMQA-GOEBONIOSA-N 1 3 332.448 0.573 20 0 ECADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653151884 440081335 /nfs/dbraw/zinc/08/13/35/440081335.db2.gz WMCIKVKQWREAMR-XPYUAMARSA-N 1 3 329.444 0.859 20 0 ECADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000643014599 440082144 /nfs/dbraw/zinc/08/21/44/440082144.db2.gz IVSGKYPJBPVJNO-YYIAUSFCSA-N 1 3 348.491 0.578 20 0 ECADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000642785883 440039123 /nfs/dbraw/zinc/03/91/23/440039123.db2.gz OUAVSXNOMRRLGT-IAGOWNOFSA-N 1 3 348.491 0.578 20 0 ECADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000642808205 440048213 /nfs/dbraw/zinc/04/82/13/440048213.db2.gz IEIOPOZRLFEVEU-XJKSGUPXSA-N 1 3 332.448 0.477 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627321001 440120984 /nfs/dbraw/zinc/12/09/84/440120984.db2.gz ZYJFHSPAUHYLPP-JCGIZDLHSA-N 1 3 336.480 0.435 20 0 ECADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)N1CCC(C)CC1 ZINC000627351479 440144936 /nfs/dbraw/zinc/14/49/36/440144936.db2.gz UCKBPZVHEKHEHW-XHSDSOJGSA-N 1 3 338.496 0.726 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[NH2+]1 ZINC000627292963 440101977 /nfs/dbraw/zinc/10/19/77/440101977.db2.gz IETWWDPSCCKOFE-OIISXLGYSA-N 1 3 346.475 0.532 20 0 ECADHO CCN(C(=O)NC[C@H](C(C)C)N1CCN(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663561399 440104970 /nfs/dbraw/zinc/10/49/70/440104970.db2.gz UCLQSOYMDUEDAU-DLBZAZTESA-N 1 3 339.528 0.994 20 0 ECADHO CCN(C(=O)NC[C@H](C(C)C)N1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000663561399 440104977 /nfs/dbraw/zinc/10/49/77/440104977.db2.gz UCLQSOYMDUEDAU-DLBZAZTESA-N 1 3 339.528 0.994 20 0 ECADHO CCN(CCN)C(=O)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000627310422 440112608 /nfs/dbraw/zinc/11/26/08/440112608.db2.gz RJWVOUWFHNOGQF-UHFFFAOYSA-N 1 3 334.464 0.952 20 0 ECADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627311664 440113027 /nfs/dbraw/zinc/11/30/27/440113027.db2.gz DZHVHUDJWRPXNI-QRJUGERDSA-N 1 3 338.496 0.726 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)N1CCC(C)CC1 ZINC000643470518 440174954 /nfs/dbraw/zinc/17/49/54/440174954.db2.gz DILHXJGLPXOMOX-HNNXBMFYSA-N 1 3 336.480 0.578 20 0 ECADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643503530 440188463 /nfs/dbraw/zinc/18/84/63/440188463.db2.gz RFNRNOVAGGXEOV-DOTOQJQBSA-N 1 3 348.491 0.674 20 0 ECADHO CC[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000643500685 440190990 /nfs/dbraw/zinc/19/09/90/440190990.db2.gz VMCTVFSBDNDVFX-HUUCEWRRSA-N 1 3 338.496 0.905 20 0 ECADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643513907 440191942 /nfs/dbraw/zinc/19/19/42/440191942.db2.gz LMEYRRSFEPETMR-YJBOKZPZSA-N 1 3 336.480 0.531 20 0 ECADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000643516710 440194593 /nfs/dbraw/zinc/19/45/93/440194593.db2.gz MLAAMBAKUSUGPK-OIISXLGYSA-N 1 3 348.491 0.530 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647962797 440199952 /nfs/dbraw/zinc/19/99/52/440199952.db2.gz TZZOTWYSRUJQSS-INIZCTEOSA-N 1 3 328.501 0.174 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647962797 440199955 /nfs/dbraw/zinc/19/99/55/440199955.db2.gz TZZOTWYSRUJQSS-INIZCTEOSA-N 1 3 328.501 0.174 20 0 ECADHO CCN(C(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1)[C@H]1CCN(CC)C1 ZINC000658829250 440145653 /nfs/dbraw/zinc/14/56/53/440145653.db2.gz JANHVNUCOLSXBK-CVEARBPZSA-N 1 3 338.496 0.872 20 0 ECADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000627357224 440148413 /nfs/dbraw/zinc/14/84/13/440148413.db2.gz AGTYHQSJYUWPOB-WMLDXEAASA-N 1 3 344.459 0.418 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000627445424 440209588 /nfs/dbraw/zinc/20/95/88/440209588.db2.gz MNALXPUUKRWYJU-CABCVRRESA-N 1 3 334.464 0.474 20 0 ECADHO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000643592274 440213872 /nfs/dbraw/zinc/21/38/72/440213872.db2.gz WVZPAUOMWHODNJ-KRWDZBQOSA-N 1 3 344.459 0.671 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000627457548 440215985 /nfs/dbraw/zinc/21/59/85/440215985.db2.gz ZYKHATWIZQXRFF-OWCLPIDISA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)[C@H]1C[NH3+] ZINC000643593333 440217490 /nfs/dbraw/zinc/21/74/90/440217490.db2.gz FBVGBGOHPULDOS-ZBFHGGJFSA-N 1 3 345.447 0.316 20 0 ECADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000627461131 440218647 /nfs/dbraw/zinc/21/86/47/440218647.db2.gz FPCMPBSWKJFFEC-HRCADAONSA-N 1 3 336.480 0.720 20 0 ECADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C[NH2+]1 ZINC000627476115 440228811 /nfs/dbraw/zinc/22/88/11/440228811.db2.gz BCLZBXVFALQYDI-BZUAXINKSA-N 1 3 336.480 0.720 20 0 ECADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627477919 440231591 /nfs/dbraw/zinc/23/15/91/440231591.db2.gz DTCMOOIXYYYZPZ-CABCVRRESA-N 1 3 326.485 0.824 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000627439324 440205887 /nfs/dbraw/zinc/20/58/87/440205887.db2.gz GKYPTYUNKYYSBE-GJZGRUSLSA-N 1 3 334.464 0.474 20 0 ECADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627441832 440206050 /nfs/dbraw/zinc/20/60/50/440206050.db2.gz UUTYQMKEAGVOCY-OAHLLOKOSA-N 1 3 348.447 0.571 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659096983 440243481 /nfs/dbraw/zinc/24/34/81/440243481.db2.gz NLOKTEJLRXREQQ-UHFFFAOYSA-N 1 3 336.436 0.891 20 0 ECADHO O=C(NCC[NH2+]C1CC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000637347419 440239042 /nfs/dbraw/zinc/23/90/42/440239042.db2.gz GLRWSCIRLMZIOT-SFHVURJKSA-N 1 3 332.448 0.675 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000664220682 440263613 /nfs/dbraw/zinc/26/36/13/440263613.db2.gz XRRJBPDOCIVJIO-UONOGXRCSA-N 1 3 327.473 0.131 20 0 ECADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[N@H+]1C ZINC000664220682 440263619 /nfs/dbraw/zinc/26/36/19/440263619.db2.gz XRRJBPDOCIVJIO-UONOGXRCSA-N 1 3 327.473 0.131 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000637497945 440288049 /nfs/dbraw/zinc/28/80/49/440288049.db2.gz BUBBUTGRMZKIGO-MRXNPFEDSA-N 1 3 325.501 0.796 20 0 ECADHO CN(C)C[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)c2ccccc2O1 ZINC000659284670 440290034 /nfs/dbraw/zinc/29/00/34/440290034.db2.gz GVQOOUZHXRYDRR-GFCCVEGCSA-N 1 3 330.392 0.206 20 0 ECADHO C[C@H](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[NH+]1CCCCC1 ZINC000659481622 440339699 /nfs/dbraw/zinc/33/96/99/440339699.db2.gz MEFDYLFDJSEYFJ-GFCCVEGCSA-N 1 3 336.440 0.705 20 0 ECADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000659518473 440354225 /nfs/dbraw/zinc/35/42/25/440354225.db2.gz XUFMRMKLBODILD-IAGOWNOFSA-N 1 3 332.448 0.804 20 0 ECADHO C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[NH+]1CCC(C)CC1 ZINC000659445600 440327290 /nfs/dbraw/zinc/32/72/90/440327290.db2.gz IQAPAIRTAFGQQZ-LBPRGKRZSA-N 1 3 336.440 0.561 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659448153 440329069 /nfs/dbraw/zinc/32/90/69/440329069.db2.gz MMEXXXPQBQFHSF-MCIONIFRSA-N 1 3 343.447 0.010 20 0 ECADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659448046 440329294 /nfs/dbraw/zinc/32/92/94/440329294.db2.gz KLBKPSATDREGOI-XOYHFGRZSA-N 1 3 337.468 0.062 20 0 ECADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659457543 440330981 /nfs/dbraw/zinc/33/09/81/440330981.db2.gz GYMNCHHCGHHJCB-ZDUSSCGKSA-N 1 3 336.440 0.705 20 0 ECADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659457543 440330986 /nfs/dbraw/zinc/33/09/86/440330986.db2.gz GYMNCHHCGHHJCB-ZDUSSCGKSA-N 1 3 336.440 0.705 20 0 ECADHO N[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[C@H]1F ZINC000659470414 440336402 /nfs/dbraw/zinc/33/64/02/440336402.db2.gz AFTQVKJJNPNXIQ-KBXIAJHMSA-N 1 3 328.432 0.445 20 0 ECADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659681608 440417261 /nfs/dbraw/zinc/41/72/61/440417261.db2.gz XQTNPRBDMJFFQC-HZSPNIEDSA-N 1 3 326.485 0.665 20 0 ECADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659623526 440379398 /nfs/dbraw/zinc/37/93/98/440379398.db2.gz HYJACWPMZNUMFZ-JKSUJKDBSA-N 1 3 325.501 0.781 20 0 ECADHO CN1CCC(n2cc(NC(=O)C(=O)NC[C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000633000913 440404549 /nfs/dbraw/zinc/40/45/49/440404549.db2.gz SUTBYYGPEQIOID-CYBMUJFWSA-N 1 3 348.451 0.347 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000659726942 440465076 /nfs/dbraw/zinc/46/50/76/440465076.db2.gz NERGLHOHVAEENR-UGUYLWEFSA-N 1 3 336.480 0.705 20 0 ECADHO C[C@@H]1CN[C@@H](C)CN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638154513 440467544 /nfs/dbraw/zinc/46/75/44/440467544.db2.gz CBPZRCQOCJKGNX-VHSXEESVSA-N 1 3 342.394 0.963 20 0 ECADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659729541 440467715 /nfs/dbraw/zinc/46/77/15/440467715.db2.gz OYDRTHATQYHFME-CQSZACIVSA-N 1 3 347.463 0.215 20 0 ECADHO CCCN1CC[C@@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000659738254 440476965 /nfs/dbraw/zinc/47/69/65/440476965.db2.gz CJJSLMDSZYVGAP-QGZVFWFLSA-N 1 3 346.475 0.965 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659701506 440434854 /nfs/dbraw/zinc/43/48/54/440434854.db2.gz GPPKWYRGXXPDNY-UHFFFAOYSA-N 1 3 330.432 0.233 20 0 ECADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000628215885 440434830 /nfs/dbraw/zinc/43/48/30/440434830.db2.gz XJTGBXRYKZURMQ-ILXRZTDVSA-N 1 3 326.485 0.774 20 0 ECADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000659704482 440438598 /nfs/dbraw/zinc/43/85/98/440438598.db2.gz NCKMWSWFVUPHJE-UONOGXRCSA-N 1 3 334.464 0.956 20 0 ECADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000659705894 440440677 /nfs/dbraw/zinc/44/06/77/440440677.db2.gz CEHGKHZJXKIUMG-UHFFFAOYSA-N 1 3 346.475 0.963 20 0 ECADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000659708186 440442402 /nfs/dbraw/zinc/44/24/02/440442402.db2.gz OEBYASWYIDTXJH-QLFBSQMISA-N 1 3 338.496 0.809 20 0 ECADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000638110168 440445931 /nfs/dbraw/zinc/44/59/31/440445931.db2.gz BSKFJTRKFZRNBF-KRWDZBQOSA-N 1 3 348.491 0.673 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000649299225 440446609 /nfs/dbraw/zinc/44/66/09/440446609.db2.gz AMARSJFTUMVXLZ-CYBMUJFWSA-N 1 3 334.420 0.564 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659711753 440446837 /nfs/dbraw/zinc/44/68/37/440446837.db2.gz CUMBUEUCYRAONG-UHFFFAOYSA-N 1 3 347.463 0.136 20 0 ECADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000659712896 440446944 /nfs/dbraw/zinc/44/69/44/440446944.db2.gz GUTWXHGDCIXCCL-ZBFHGGJFSA-N 1 3 332.448 0.225 20 0 ECADHO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000638227150 440479883 /nfs/dbraw/zinc/47/98/83/440479883.db2.gz OBLJGRYNYHCWNS-GVDBMIGSSA-N 1 3 332.448 0.035 20 0 ECADHO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000638227150 440479891 /nfs/dbraw/zinc/47/98/91/440479891.db2.gz OBLJGRYNYHCWNS-GVDBMIGSSA-N 1 3 332.448 0.035 20 0 ECADHO CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CNCCC3(F)F)CC2)CC1 ZINC000649312117 440455816 /nfs/dbraw/zinc/45/58/16/440455816.db2.gz RBZLQOGDBLOJNK-HNNXBMFYSA-N 1 3 344.450 0.906 20 0 ECADHO CCN1CCN(CCCCNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638137965 440459110 /nfs/dbraw/zinc/45/91/10/440459110.db2.gz RMTKIFNTFAVGNC-RDJZCZTQSA-N 1 3 326.485 0.287 20 0 ECADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000638264888 440489222 /nfs/dbraw/zinc/48/92/22/440489222.db2.gz AFRUVSULRDBOHO-OLZOCXBDSA-N 1 3 332.370 0.842 20 0 ECADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000638249786 440489350 /nfs/dbraw/zinc/48/93/50/440489350.db2.gz VIPFCARKQULCKF-IXDOHACOSA-N 1 3 337.512 0.925 20 0 ECADHO COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764096 440529211 /nfs/dbraw/zinc/52/92/11/440529211.db2.gz ULWBHGGUQMWEJG-RRFJBIMHSA-N 1 3 330.473 0.050 20 0 ECADHO COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665764096 440529218 /nfs/dbraw/zinc/52/92/18/440529218.db2.gz ULWBHGGUQMWEJG-RRFJBIMHSA-N 1 3 330.473 0.050 20 0 ECADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000665763767 440531627 /nfs/dbraw/zinc/53/16/27/440531627.db2.gz LFZROFGJCUPKRX-ZMSDIMECSA-N 1 3 326.485 0.936 20 0 ECADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000665763767 440531631 /nfs/dbraw/zinc/53/16/31/440531631.db2.gz LFZROFGJCUPKRX-ZMSDIMECSA-N 1 3 326.485 0.936 20 0 ECADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351356 440483166 /nfs/dbraw/zinc/48/31/66/440483166.db2.gz PKJCQKJVGGNNKG-UONOGXRCSA-N 1 3 332.439 0.621 20 0 ECADHO C[NH2+]CCOCCN(C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000638590318 440577681 /nfs/dbraw/zinc/57/76/81/440577681.db2.gz FOPXSRPUJPGEPM-UHFFFAOYSA-N 1 3 348.491 0.893 20 0 ECADHO CCN1CCN(c2ccc(C(=O)N(C)CCOCC[NH3+])cc2)CC1 ZINC000638673961 440601050 /nfs/dbraw/zinc/60/10/50/440601050.db2.gz BOAQEOFPMSEABT-UHFFFAOYSA-N 1 3 334.464 0.876 20 0 ECADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)OCCNC2 ZINC000638671838 440601443 /nfs/dbraw/zinc/60/14/43/440601443.db2.gz PRLQKYRQBFJDIV-AWEZNQCLSA-N 1 3 332.404 0.365 20 0 ECADHO NCc1ccc2c(c1)N(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)CCO2 ZINC000638804523 440628573 /nfs/dbraw/zinc/62/85/73/440628573.db2.gz BVZBLTSXFKZVFQ-CYBMUJFWSA-N 1 3 332.404 0.129 20 0 ECADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926339 440647569 /nfs/dbraw/zinc/64/75/69/440647569.db2.gz CVPACVPEAKPCBQ-CMPLNLGQSA-N 1 3 338.374 0.771 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000655973834 440665401 /nfs/dbraw/zinc/66/54/01/440665401.db2.gz JDAPREMXAAXGEY-BBWFWOEESA-N 1 3 335.496 0.692 20 0 ECADHO CN1CCN(C[C@@H](O)CNc2ccc3c(c2)N(C)CC[N@@H+](C)C3)CC1 ZINC000644696835 440670505 /nfs/dbraw/zinc/67/05/05/440670505.db2.gz HXWFYDDNNUYHRV-SFHVURJKSA-N 1 3 347.507 0.588 20 0 ECADHO CN1CCN(C[C@@H](O)CNc2ccc3c(c2)N(C)CC[N@H+](C)C3)CC1 ZINC000644696835 440670509 /nfs/dbraw/zinc/67/05/09/440670509.db2.gz HXWFYDDNNUYHRV-SFHVURJKSA-N 1 3 347.507 0.588 20 0 ECADHO C[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CN1CCN(C)CC1 ZINC000655920994 440642615 /nfs/dbraw/zinc/64/26/15/440642615.db2.gz VJJCHFKDOSVYTR-GHMZBOCLSA-N 1 3 325.379 0.059 20 0 ECADHO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561936 440646075 /nfs/dbraw/zinc/64/60/75/440646075.db2.gz JQJZTBYTTAAJOM-ZMSDIMECSA-N 1 3 329.485 0.157 20 0 ECADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CCCC1 ZINC000656023396 440695369 /nfs/dbraw/zinc/69/53/69/440695369.db2.gz ANYIALGJTZBNTD-OWCLPIDISA-N 1 3 336.480 0.753 20 0 ECADHO [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000656021842 440695654 /nfs/dbraw/zinc/69/56/54/440695654.db2.gz LOILAQSSOJGOQO-IXDOHACOSA-N 1 3 344.459 0.936 20 0 ECADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028008 440697403 /nfs/dbraw/zinc/69/74/03/440697403.db2.gz GXWRMGRBIJXCRX-XHSDSOJGSA-N 1 3 336.480 0.707 20 0 ECADHO CO[C@]1(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCOC1 ZINC000639262621 440699089 /nfs/dbraw/zinc/69/90/89/440699089.db2.gz ZYQJUFXPTZKIRC-KRWDZBQOSA-N 1 3 327.469 0.178 20 0 ECADHO CN(C)CCNc1ncc(Br)c(NCC[NH+](C)C)n1 ZINC000634795815 440711577 /nfs/dbraw/zinc/71/15/77/440711577.db2.gz PVYPDYQVMFBFQA-UHFFFAOYSA-N 1 3 331.262 0.030 20 0 ECADHO C[NH2+]CCOCCN[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000629528534 440717703 /nfs/dbraw/zinc/71/77/03/440717703.db2.gz BIDPGQCPALGTHY-CYBMUJFWSA-N 1 3 329.466 0.824 20 0 ECADHO C[NH2+]CCOCCN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000629530350 440718601 /nfs/dbraw/zinc/71/86/01/440718601.db2.gz DHOOJODNLPAJCW-OAHLLOKOSA-N 1 3 327.450 0.537 20 0 ECADHO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]C[C@H](O)CN1CCCC1 ZINC000629566472 440731024 /nfs/dbraw/zinc/73/10/24/440731024.db2.gz SVCODNIYMTXEQH-MSOLQXFVSA-N 1 3 347.507 0.638 20 0 ECADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651109879 440748110 /nfs/dbraw/zinc/74/81/10/440748110.db2.gz AQLSJLDZPHNBGH-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651109879 440748114 /nfs/dbraw/zinc/74/81/14/440748114.db2.gz AQLSJLDZPHNBGH-OAHLLOKOSA-N 1 3 341.500 0.522 20 0 ECADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629803858 440768721 /nfs/dbraw/zinc/76/87/21/440768721.db2.gz VPAXPWWPXWBFCA-OHQAAIJDSA-N 1 3 348.491 0.530 20 0 ECADHO CCCC[N@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645263056 440773289 /nfs/dbraw/zinc/77/32/89/440773289.db2.gz FZKMIGJLZUFYAC-CQSZACIVSA-N 1 3 327.473 0.480 20 0 ECADHO CCCC[N@@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645263056 440773292 /nfs/dbraw/zinc/77/32/92/440773292.db2.gz FZKMIGJLZUFYAC-CQSZACIVSA-N 1 3 327.473 0.480 20 0 ECADHO COCCN(C)C[C@H](O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000639880494 440825341 /nfs/dbraw/zinc/82/53/41/440825341.db2.gz PHFUBKDGXSAARX-IRXDYDNUSA-N 1 3 343.512 0.501 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635703636 440954334 /nfs/dbraw/zinc/95/43/34/440954334.db2.gz MQYMWRZFUNSJCF-DLBZAZTESA-N 1 3 348.491 0.768 20 0 ECADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635703636 440954338 /nfs/dbraw/zinc/95/43/38/440954338.db2.gz MQYMWRZFUNSJCF-DLBZAZTESA-N 1 3 348.491 0.768 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000635698711 440955221 /nfs/dbraw/zinc/95/52/21/440955221.db2.gz FCMUTCFYROOSSU-SJORKVTESA-N 1 3 341.496 0.914 20 0 ECADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000635698711 440955226 /nfs/dbraw/zinc/95/52/26/440955226.db2.gz FCMUTCFYROOSSU-SJORKVTESA-N 1 3 341.496 0.914 20 0 ECADHO CCN1CCC(NC(=O)CN2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662315747 441009490 /nfs/dbraw/zinc/00/94/90/441009490.db2.gz GZXODOLMPMPJQP-QGZVFWFLSA-N 1 3 340.512 0.630 20 0 ECADHO CCO[C@@H]1CN(C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1C[NH3+] ZINC000652163390 441022096 /nfs/dbraw/zinc/02/20/96/441022096.db2.gz MGTWUUVBVSYENU-UMVBOHGHSA-N 1 3 330.498 0.429 20 0 ECADHO O=C(Cn1cc([C@@H]2CCC[NH2+]C2)nn1)NC1CCN(C2CC2)CC1 ZINC000641005829 441043498 /nfs/dbraw/zinc/04/34/98/441043498.db2.gz YUDQYNCOIXIZFW-CYBMUJFWSA-N 1 3 332.452 0.488 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641042109 441051091 /nfs/dbraw/zinc/05/10/91/441051091.db2.gz GEWZJAPRPIZVBA-HNNXBMFYSA-N 1 3 337.468 0.078 20 0 ECADHO NCc1cn([C@@H]2CCCN(C(=O)NCCC3CC[NH2+]CC3)C2)nn1 ZINC000652323395 441052952 /nfs/dbraw/zinc/05/29/52/441052952.db2.gz GRRGRHDIYGNUJS-OAHLLOKOSA-N 1 3 335.456 0.473 20 0 ECADHO Cc1c(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662527815 441064259 /nfs/dbraw/zinc/06/42/59/441064259.db2.gz ZSCBJHKQTDPDAN-WFASDCNBSA-N 1 3 334.468 0.923 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000339667683 320994628 /nfs/dbraw/zinc/99/46/28/320994628.db2.gz KAPFHDWXFSYVHQ-MRXNPFEDSA-N 1 3 336.480 0.674 20 0 ECADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000339667064 320994647 /nfs/dbraw/zinc/99/46/47/320994647.db2.gz FMMHJQOTTMVLNO-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340347772 321036555 /nfs/dbraw/zinc/03/65/55/321036555.db2.gz WEJYCCHMKHEXSX-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000340347772 321036556 /nfs/dbraw/zinc/03/65/56/321036556.db2.gz WEJYCCHMKHEXSX-HNNXBMFYSA-N 1 3 326.485 0.635 20 0 ECADHO CCN1CCN(C[C@H](C)CNC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000341238396 321052263 /nfs/dbraw/zinc/05/22/63/321052263.db2.gz QJCKBPSJGAWWBD-MRXNPFEDSA-N 1 3 348.495 0.488 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(CCOC)CC[NH+](C)C ZINC000341987332 321071149 /nfs/dbraw/zinc/07/11/49/321071149.db2.gz AGEOBMAKIRJZEO-OAHLLOKOSA-N 1 3 342.484 0.014 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000342035644 321073316 /nfs/dbraw/zinc/07/33/16/321073316.db2.gz KMHWDTLVJVQWEK-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000342035644 321073317 /nfs/dbraw/zinc/07/33/17/321073317.db2.gz KMHWDTLVJVQWEK-XHSDSOJGSA-N 1 3 338.496 0.776 20 0 ECADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1)C[NH+]1CCCCC1 ZINC000342054171 321074011 /nfs/dbraw/zinc/07/40/11/321074011.db2.gz IZKZYEDOPCHDCO-HUUCEWRRSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000342903404 321109218 /nfs/dbraw/zinc/10/92/18/321109218.db2.gz LILRYTKMQUPJCD-ZFWWWQNUSA-N 1 3 338.496 0.964 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CCCN2CC)CC1 ZINC000343021437 321117832 /nfs/dbraw/zinc/11/78/32/321117832.db2.gz ANEQKHDJROWBLR-MRXNPFEDSA-N 1 3 338.496 0.825 20 0 ECADHO COCC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000343021989 321117985 /nfs/dbraw/zinc/11/79/85/321117985.db2.gz CRVQBJIOADVNED-UHFFFAOYSA-N 1 3 342.484 0.012 20 0 ECADHO CCC[NH+]1CCC(CNC(=O)C(=O)NCCN(CC)C2CC2)CC1 ZINC000343024967 321118556 /nfs/dbraw/zinc/11/85/56/321118556.db2.gz PEFUWVSFVLPGFM-UHFFFAOYSA-N 1 3 338.496 0.825 20 0 ECADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000343141358 321124480 /nfs/dbraw/zinc/12/44/80/321124480.db2.gz HCLAPXJJBMVEGJ-QLFBSQMISA-N 1 3 326.485 0.679 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H](N)CC(F)F)CC1 ZINC000345728441 321197873 /nfs/dbraw/zinc/19/78/73/321197873.db2.gz VPILFWPTAFMEDE-HZSPNIEDSA-N 1 3 332.439 0.986 20 0 ECADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H](N)CC(F)F)CC1 ZINC000345728441 321197874 /nfs/dbraw/zinc/19/78/74/321197874.db2.gz VPILFWPTAFMEDE-HZSPNIEDSA-N 1 3 332.439 0.986 20 0 ECADHO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000347052838 321228944 /nfs/dbraw/zinc/22/89/44/321228944.db2.gz KOBKVFNSICLHPV-GOEBONIOSA-N 1 3 338.496 0.824 20 0 ECADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccccc2N2CCOCC2)C1 ZINC000347184689 321232910 /nfs/dbraw/zinc/23/29/10/321232910.db2.gz YFYBAVWGZUNSEV-QGZVFWFLSA-N 1 3 346.475 0.810 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCN1C ZINC000347974932 321261427 /nfs/dbraw/zinc/26/14/27/321261427.db2.gz WPCIWLRZWNPMCT-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCN1C ZINC000347974932 321261428 /nfs/dbraw/zinc/26/14/28/321261428.db2.gz WPCIWLRZWNPMCT-BZUAXINKSA-N 1 3 338.496 0.918 20 0 ECADHO C[NH+](C)C1(CNC(=O)NCC2CCN(CCO)CC2)CCCC1 ZINC000349787615 321315205 /nfs/dbraw/zinc/31/52/05/321315205.db2.gz ULMSNYFFMJSGED-UHFFFAOYSA-N 1 3 326.485 0.864 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000352456251 321360824 /nfs/dbraw/zinc/36/08/24/321360824.db2.gz MYOAFNAOEDFTOK-GASCZTMLSA-N 1 3 328.501 0.974 20 0 ECADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000352456251 321360825 /nfs/dbraw/zinc/36/08/25/321360825.db2.gz MYOAFNAOEDFTOK-GASCZTMLSA-N 1 3 328.501 0.974 20 0 ECADHO Cc1nccn1CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000353098446 321381299 /nfs/dbraw/zinc/38/12/99/321381299.db2.gz RILKIJLDRRPRFJ-UHFFFAOYSA-N 1 3 336.484 0.907 20 0 ECADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000369045662 321756740 /nfs/dbraw/zinc/75/67/40/321756740.db2.gz AZXVQMIVHUOJCA-CRAIPNDOSA-N 1 3 334.464 0.143 20 0 ECADHO CN(C)C(=O)CCN1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000543676515 322098408 /nfs/dbraw/zinc/09/84/08/322098408.db2.gz PUFGNPVECAMNRX-UHFFFAOYSA-N 1 3 341.500 0.522 20 0 ECADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000545177172 322106446 /nfs/dbraw/zinc/10/64/46/322106446.db2.gz NTKRLCMUHWXVNY-NVXWUHKLSA-N 1 3 326.485 0.863 20 0 ECADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000545177172 322106449 /nfs/dbraw/zinc/10/64/49/322106449.db2.gz NTKRLCMUHWXVNY-NVXWUHKLSA-N 1 3 326.485 0.863 20 0 ECADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc4c3CCNC4)C2)C1 ZINC000556972482 322200957 /nfs/dbraw/zinc/20/09/57/322200957.db2.gz BHVHMXXVTASTJW-IBGZPJMESA-N 1 3 342.443 0.825 20 0 ECADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc4c3CCNC4)C2)C1 ZINC000556972482 322200960 /nfs/dbraw/zinc/20/09/60/322200960.db2.gz BHVHMXXVTASTJW-IBGZPJMESA-N 1 3 342.443 0.825 20 0 ECADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000557133877 322204410 /nfs/dbraw/zinc/20/44/10/322204410.db2.gz CKNZVNVWZNTXJW-JKSUJKDBSA-N 1 3 325.501 0.783 20 0 ECADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000557133877 322204411 /nfs/dbraw/zinc/20/44/11/322204411.db2.gz CKNZVNVWZNTXJW-JKSUJKDBSA-N 1 3 325.501 0.783 20 0 ECADHO C[C@@H]1CCCCN1CCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000561052349 322252995 /nfs/dbraw/zinc/25/29/95/322252995.db2.gz OGLCBMNLXLRWKU-CQSZACIVSA-N 1 3 347.467 0.882 20 0 ECADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000561248510 322257597 /nfs/dbraw/zinc/25/75/97/322257597.db2.gz FOMAIPMSDSOFTL-MRXNPFEDSA-N 1 3 332.448 0.562 20 0 ECADHO O=C1CNC(=O)N1CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000562741044 322283460 /nfs/dbraw/zinc/28/34/60/322283460.db2.gz CLZMREHMQNBAKW-DLBZAZTESA-N 1 3 342.443 0.992 20 0 ECADHO O=C1CNC(=O)N1CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000562741044 322283461 /nfs/dbraw/zinc/28/34/61/322283461.db2.gz CLZMREHMQNBAKW-DLBZAZTESA-N 1 3 342.443 0.992 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1CCNC2=O ZINC000563563293 322328934 /nfs/dbraw/zinc/32/89/34/322328934.db2.gz YMTGOSHVFAYRMV-UHFFFAOYSA-N 1 3 347.463 0.930 20 0 ECADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000563899555 322352638 /nfs/dbraw/zinc/35/26/38/322352638.db2.gz AQGKVNVHAULMMT-OAHLLOKOSA-N 1 3 326.485 0.727 20 0 ECADHO CC1CC[NH+](CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000564100957 322362482 /nfs/dbraw/zinc/36/24/82/322362482.db2.gz PCYOZKKABSCUSQ-HUUCEWRRSA-N 1 3 337.468 0.062 20 0 ECADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000564328234 322369507 /nfs/dbraw/zinc/36/95/07/322369507.db2.gz LQNXBVJRQRGNTB-SJORKVTESA-N 1 3 332.448 0.788 20 0 ECADHO CN1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@H](CN)C1 ZINC000564430420 322374424 /nfs/dbraw/zinc/37/44/24/322374424.db2.gz BGRNTINZFGQMKX-QGZVFWFLSA-N 1 3 333.480 0.575 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000564553662 322379323 /nfs/dbraw/zinc/37/93/23/322379323.db2.gz QTAAANBKIVMFKA-ZDUSSCGKSA-N 1 3 335.443 0.461 20 0 ECADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN[C@@H](C)[C@@H]2C)CC1 ZINC000566507680 322540074 /nfs/dbraw/zinc/54/00/74/322540074.db2.gz LFMVLOVJHFCULL-KBPBESRZSA-N 1 3 339.484 0.369 20 0 ECADHO CN(C)CCN(CCN(C)C)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000567603816 322589071 /nfs/dbraw/zinc/58/90/71/322589071.db2.gz YLGFOZWIENOVFU-UHFFFAOYSA-N 1 3 327.517 0.994 20 0 ECADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000567863255 322602084 /nfs/dbraw/zinc/60/20/84/322602084.db2.gz GYANRSZYKJBIAP-SMDDNHRTSA-N 1 3 343.497 0.419 20 0 ECADHO CCn1cccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1=O ZINC000568467309 322628970 /nfs/dbraw/zinc/62/89/70/322628970.db2.gz UMNZUJBZTCQPKF-UHFFFAOYSA-N 1 3 337.468 0.503 20 0 ECADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000569455533 322653908 /nfs/dbraw/zinc/65/39/08/322653908.db2.gz JXNOOZXQZSFHAX-OAGGEKHMSA-N 1 3 338.496 0.727 20 0 ECADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCC(F)(F)F ZINC000570024009 322673133 /nfs/dbraw/zinc/67/31/33/322673133.db2.gz ZPCFIIPKKAWKKT-UHFFFAOYSA-N 1 3 340.390 0.349 20 0 ECADHO N[C@@H]1C[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000570291732 322682572 /nfs/dbraw/zinc/68/25/72/322682572.db2.gz DNUSHLGEBSPYLH-IAGOWNOFSA-N 1 3 342.443 0.666 20 0 ECADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000579691928 322903860 /nfs/dbraw/zinc/90/38/60/322903860.db2.gz ZCJIRDGQNTZHRB-GOEBONIOSA-N 1 3 349.483 0.958 20 0 ECADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000579935796 322910685 /nfs/dbraw/zinc/91/06/85/322910685.db2.gz COZMLAGVZXMUBI-MRXNPFEDSA-N 1 3 338.496 0.858 20 0 ECADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000262631436 535916480 /nfs/dbraw/zinc/91/64/80/535916480.db2.gz FITLMWSLYBKWJF-MRXNPFEDSA-N 1 3 346.475 0.885 20 0 ECADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CCC(OC)CC1 ZINC000080125868 545700654 /nfs/dbraw/zinc/70/06/54/545700654.db2.gz BULXCNANJJGNHM-HNNXBMFYSA-N 1 3 342.484 0.507 20 0 ECADHO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CCC(OC)CC1 ZINC000080125868 545700660 /nfs/dbraw/zinc/70/06/60/545700660.db2.gz BULXCNANJJGNHM-HNNXBMFYSA-N 1 3 342.484 0.507 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)CO)CC2)CC1 ZINC000153978608 545827267 /nfs/dbraw/zinc/82/72/67/545827267.db2.gz DYAHDGTYPOGDAO-UHFFFAOYSA-N 1 3 326.485 0.863 20 0 ECADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621845053 546575210 /nfs/dbraw/zinc/57/52/10/546575210.db2.gz AZRAYNBTDNSROV-SUNYJGFJSA-N 1 3 336.480 0.563 20 0 ECADHO C[C@@H](CN1CCOCC1)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000622325069 546660195 /nfs/dbraw/zinc/66/01/95/546660195.db2.gz MNRCLHPLOXLDPG-HNNXBMFYSA-N 1 3 347.463 0.740 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(N[C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623482225 546794997 /nfs/dbraw/zinc/79/49/97/546794997.db2.gz HKSOTFPCDGZNQE-AWEZNQCLSA-N 1 3 336.484 0.846 20 0 ECADHO CN(C)CCNC(=O)Cn1cc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623482225 546795001 /nfs/dbraw/zinc/79/50/01/546795001.db2.gz HKSOTFPCDGZNQE-AWEZNQCLSA-N 1 3 336.484 0.846 20 0 ECADHO CCC(=O)N[C@@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000624650347 546950179 /nfs/dbraw/zinc/95/01/79/546950179.db2.gz FBNJVFSPAKNVKY-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO CCC(=O)N[C@@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000624650347 546950183 /nfs/dbraw/zinc/95/01/83/546950183.db2.gz FBNJVFSPAKNVKY-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@@H]1C[C@@H]1C[N@H+](CCCCN(C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000625932065 547254670 /nfs/dbraw/zinc/25/46/70/547254670.db2.gz OZKACHXFACIONU-KLHDSHLOSA-N 1 3 336.480 0.433 20 0 ECADHO C[C@@H]1C[C@@H]1C[N@@H+](CCCCN(C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000625932065 547254674 /nfs/dbraw/zinc/25/46/74/547254674.db2.gz OZKACHXFACIONU-KLHDSHLOSA-N 1 3 336.480 0.433 20 0 ECADHO CN(C)C[C@@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000634645472 547383172 /nfs/dbraw/zinc/38/31/72/547383172.db2.gz NRYCVJADDMMLHH-RTBURBONSA-N 1 3 333.476 0.886 20 0 ECADHO CN(C)C[C@@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000634645472 547383175 /nfs/dbraw/zinc/38/31/75/547383175.db2.gz NRYCVJADDMMLHH-RTBURBONSA-N 1 3 333.476 0.886 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)[N@H+](C)C1CC1 ZINC000636663653 547389607 /nfs/dbraw/zinc/38/96/07/547389607.db2.gz WTOGGTSQTLAXGN-BBRMVZONSA-N 1 3 336.480 0.718 20 0 ECADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)[N@@H+](C)C1CC1 ZINC000636663653 547389611 /nfs/dbraw/zinc/38/96/11/547389611.db2.gz WTOGGTSQTLAXGN-BBRMVZONSA-N 1 3 336.480 0.718 20 0 ECADHO C[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[C@H](O)C2)[C@@H]1c1ccccc1 ZINC000636984901 547392078 /nfs/dbraw/zinc/39/20/78/547392078.db2.gz MLPMXCRMBVVJRB-BBWFWOEESA-N 1 3 332.448 0.798 20 0 ECADHO C[N@H+]1CC[C@@H](NC(=O)NCCN2CC[C@H](O)C2)[C@@H]1c1ccccc1 ZINC000636984901 547392086 /nfs/dbraw/zinc/39/20/86/547392086.db2.gz MLPMXCRMBVVJRB-BBWFWOEESA-N 1 3 332.448 0.798 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000667198984 547484878 /nfs/dbraw/zinc/48/48/78/547484878.db2.gz JWXGGTRREUHEQJ-ZDUSSCGKSA-N 1 3 334.420 0.645 20 0 ECADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667535956 547529606 /nfs/dbraw/zinc/52/96/06/547529606.db2.gz XVKJMYCGGHWAEE-RDJZCZTQSA-N 1 3 344.459 0.940 20 0 ECADHO C[NH+]1CCC(N2CCC(NC(=O)c3cnc4n3CCOC4)CC2)CC1 ZINC000667641785 547539794 /nfs/dbraw/zinc/53/97/94/547539794.db2.gz DBVXEMDTBLTGJD-UHFFFAOYSA-N 1 3 347.463 0.702 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cn(C)nn1 ZINC000667812422 547559775 /nfs/dbraw/zinc/55/97/75/547559775.db2.gz MBKNLPFICGYJMM-INIZCTEOSA-N 1 3 336.484 0.622 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cn(C)nn1 ZINC000667812422 547559777 /nfs/dbraw/zinc/55/97/77/547559777.db2.gz MBKNLPFICGYJMM-INIZCTEOSA-N 1 3 336.484 0.622 20 0 ECADHO C[C@@H](NC(=O)Nc1cnc(N2CCNCC2)nc1)C1CC[NH+](C)CC1 ZINC000667821317 547560802 /nfs/dbraw/zinc/56/08/02/547560802.db2.gz QRZYXNXDPDIKSO-CYBMUJFWSA-N 1 3 347.467 0.738 20 0 ECADHO CCN(C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)[C@H]1CCN(CC)C1 ZINC000668625583 547705264 /nfs/dbraw/zinc/70/52/64/547705264.db2.gz VDFFQDGRHCKOFX-GJZGRUSLSA-N 1 3 326.485 0.776 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000668672314 547721004 /nfs/dbraw/zinc/72/10/04/547721004.db2.gz NCAVCLMGYJZLGR-HUUCEWRRSA-N 1 3 338.496 0.966 20 0 ECADHO CCN1CCN(CCCCNC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669366068 547883973 /nfs/dbraw/zinc/88/39/73/547883973.db2.gz WURWGIDVKJKEDE-MRXNPFEDSA-N 1 3 325.501 0.845 20 0 ECADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCCC1CC[NH+](C)CC1)CC2 ZINC000670432813 548008812 /nfs/dbraw/zinc/00/88/12/548008812.db2.gz GIPGUPISCJQJQV-CVEARBPZSA-N 1 3 336.480 0.530 20 0 ECADHO C[C@H](NC(=O)C(=O)NC1CCN(C2CC2)CC1)C1CC[NH+](C)CC1 ZINC000670783602 548049129 /nfs/dbraw/zinc/04/91/29/548049129.db2.gz UOAHTMZMFCEENK-ZDUSSCGKSA-N 1 3 336.480 0.576 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000672008422 548253161 /nfs/dbraw/zinc/25/31/61/548253161.db2.gz KCGQYOGVGHTKDR-BBRMVZONSA-N 1 3 336.480 0.433 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000672698823 548375578 /nfs/dbraw/zinc/37/55/78/548375578.db2.gz IHGCBAYCTJQDJR-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000672698823 548375583 /nfs/dbraw/zinc/37/55/83/548375583.db2.gz IHGCBAYCTJQDJR-CVEARBPZSA-N 1 3 338.496 0.777 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000674031600 548577301 /nfs/dbraw/zinc/57/73/01/548577301.db2.gz CTOBICNREHXQKM-MRXNPFEDSA-N 1 3 337.512 0.796 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000674031595 548577817 /nfs/dbraw/zinc/57/78/17/548577817.db2.gz CTOBICNREHXQKM-INIZCTEOSA-N 1 3 337.512 0.796 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC000683369335 549482043 /nfs/dbraw/zinc/48/20/43/549482043.db2.gz PBFFHTSGWHGGBZ-GASCZTMLSA-N 1 3 326.485 0.820 20 0 ECADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000683369335 549482047 /nfs/dbraw/zinc/48/20/47/549482047.db2.gz PBFFHTSGWHGGBZ-GASCZTMLSA-N 1 3 326.485 0.820 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC000683369335 549482051 /nfs/dbraw/zinc/48/20/51/549482051.db2.gz PBFFHTSGWHGGBZ-GASCZTMLSA-N 1 3 326.485 0.820 20 0 ECADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000683369335 549482054 /nfs/dbraw/zinc/48/20/54/549482054.db2.gz PBFFHTSGWHGGBZ-GASCZTMLSA-N 1 3 326.485 0.820 20 0 ECADHO C[C@H](CNC(=S)NCC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000760476432 579511099 /nfs/dbraw/zinc/51/10/99/579511099.db2.gz ODEOPAZMIPHKOE-OAHLLOKOSA-N 1 3 341.569 0.676 20 0 ECADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793696096 578935310 /nfs/dbraw/zinc/93/53/10/578935310.db2.gz FHBBUIWWCDNJTL-HZPDHXFCSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)N1CCCCC1 ZINC000793730571 578937924 /nfs/dbraw/zinc/93/79/24/578937924.db2.gz YRZQEUJYZXREJO-INIZCTEOSA-N 1 3 338.496 0.921 20 0 ECADHO CN(C)CCN1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760467368 579510878 /nfs/dbraw/zinc/51/08/78/579510878.db2.gz FEUMLEJHYDRSEC-UHFFFAOYSA-N 1 3 327.542 0.382 20 0 ECADHO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000764271993 579574243 /nfs/dbraw/zinc/57/42/43/579574243.db2.gz WNEUNYMENKEYBE-SJORKVTESA-N 1 3 336.480 0.136 20 0 ECADHO CN(CCCCCC[N@H+](C)[C@@H]1CCN(C)C1=O)[C@@H]1CCN(C)C1=O ZINC000738330043 579621026 /nfs/dbraw/zinc/62/10/26/579621026.db2.gz FYMGCNMVSITHKQ-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CN(CCCCCC[N@@H+](C)[C@@H]1CCN(C)C1=O)[C@@H]1CCN(C)C1=O ZINC000738330043 579621027 /nfs/dbraw/zinc/62/10/27/579621027.db2.gz FYMGCNMVSITHKQ-HZPDHXFCSA-N 1 3 338.496 0.872 20 0 ECADHO CCN1CCN(CC(C)(C)NC(=S)NCCC[NH+](C)C)CC1 ZINC000840828683 588973816 /nfs/dbraw/zinc/97/38/16/588973816.db2.gz UPEYIZZYIRJCNV-UHFFFAOYSA-N 1 3 329.558 0.818 20 0 ECADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000842189050 589019236 /nfs/dbraw/zinc/01/92/36/589019236.db2.gz MHSQHBCIRRUMAZ-LJQANCHMSA-N 1 3 346.475 0.741 20 0 ECADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000842188840 589019306 /nfs/dbraw/zinc/01/93/06/589019306.db2.gz KYIKMJBGYBAJJX-KXBFYZLASA-N 1 3 346.475 0.726 20 0 ECADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cc(N)ccn3)C2)CC1 ZINC000891559617 586177474 /nfs/dbraw/zinc/17/74/74/586177474.db2.gz GHXUBNKYLLNURC-AWEZNQCLSA-N 1 3 332.452 0.632 20 0 ECADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3cc(N)ccn3)C2)CC1 ZINC000891559617 586177477 /nfs/dbraw/zinc/17/74/77/586177477.db2.gz GHXUBNKYLLNURC-AWEZNQCLSA-N 1 3 332.452 0.632 20 0 ECADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891577962 586179018 /nfs/dbraw/zinc/17/90/18/586179018.db2.gz VDVPNFUYHUUPDI-CABCVRRESA-N 1 3 340.468 0.165 20 0 ECADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000891601951 586180510 /nfs/dbraw/zinc/18/05/10/586180510.db2.gz JEFWPVOSWHJZJG-HZPDHXFCSA-N 1 3 325.501 0.653 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)N1CCN(C)CC1 ZINC000891753522 586194441 /nfs/dbraw/zinc/19/44/41/586194441.db2.gz YQKVVBQBCPGRQL-ULQDDVLXSA-N 1 3 337.512 0.604 20 0 ECADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)N1CCN(C)CC1 ZINC000891753522 586194442 /nfs/dbraw/zinc/19/44/42/586194442.db2.gz YQKVVBQBCPGRQL-ULQDDVLXSA-N 1 3 337.512 0.604 20 0 ECADHO O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@H]1CCCN1CCCO ZINC000892332627 586252810 /nfs/dbraw/zinc/25/28/10/586252810.db2.gz WSTJETWYIBZULC-QGZVFWFLSA-N 1 3 346.475 0.978 20 0 ECADHO CC1(C)CC[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)[NH2+]C1 ZINC000892383110 586261556 /nfs/dbraw/zinc/26/15/56/586261556.db2.gz FZMGHULAKNJLBU-GJZGRUSLSA-N 1 3 326.485 0.911 20 0 ECADHO C[NH+](C)C1CCN(CCNC(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000896840478 586273135 /nfs/dbraw/zinc/27/31/35/586273135.db2.gz KIMDIVODWZKUTQ-UHFFFAOYSA-N 1 3 338.496 0.239 20 0 ECADHO CN1CCN(C2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000892584589 586275015 /nfs/dbraw/zinc/27/50/15/586275015.db2.gz MYOKYNLHLGUJOX-BJWYYQGGSA-N 1 3 349.523 0.938 20 0 ECADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000897560854 586345016 /nfs/dbraw/zinc/34/50/16/586345016.db2.gz TXMAGRNFKSVNKI-CABCVRRESA-N 1 3 347.463 0.575 20 0 ECADHO O=C(NC[C@@H]1CCCN1CCCO)C1C[NH+](C2CCOCC2)C1 ZINC000897875354 586377829 /nfs/dbraw/zinc/37/78/29/586377829.db2.gz DRVCRAQSQSVGIW-INIZCTEOSA-N 1 3 325.453 0.060 20 0 ECADHO COC(=O)[C@@H]1[C@H](C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C1(F)F ZINC000894242519 586382089 /nfs/dbraw/zinc/38/20/89/586382089.db2.gz NWEJOHMOXGBHHF-WOPDTQHZSA-N 1 3 333.379 0.218 20 0 ECADHO CC[NH+]1CCN(CCCNCc2nc(Br)nn2C)CC1 ZINC000894383188 586390163 /nfs/dbraw/zinc/39/01/63/586390163.db2.gz BWSVJTGZLBSGAP-UHFFFAOYSA-N 1 3 345.289 0.695 20 0 ECADHO CN1CCN(CCNC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1(C)C ZINC000894601868 586402957 /nfs/dbraw/zinc/40/29/57/586402957.db2.gz NGWJKUKHMJWMJX-QAPCUYQASA-N 1 3 337.512 0.606 20 0 ECADHO CN1CCN(CCNC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1(C)C ZINC000894601868 586402960 /nfs/dbraw/zinc/40/29/60/586402960.db2.gz NGWJKUKHMJWMJX-QAPCUYQASA-N 1 3 337.512 0.606 20 0 ECADHO CC[NH+]1CCC(N2CCC(C(=O)NC3=NCC(=O)N3C)CC2)CC1 ZINC000898773320 586448930 /nfs/dbraw/zinc/44/89/30/586448930.db2.gz SHVDTUSHENVJKN-UHFFFAOYSA-N 1 3 335.452 0.127 20 0 ECADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000899206811 586476619 /nfs/dbraw/zinc/47/66/19/586476619.db2.gz UQVUQLCGDRJUSB-OAHLLOKOSA-N 1 3 336.480 0.661 20 0 ECADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000899206811 586476621 /nfs/dbraw/zinc/47/66/21/586476621.db2.gz UQVUQLCGDRJUSB-OAHLLOKOSA-N 1 3 336.480 0.661 20 0 ECADHO CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)NC(=O)CN(C)C1CCC1 ZINC000900574232 586642642 /nfs/dbraw/zinc/64/26/42/586642642.db2.gz QEELOWYOCUTJLT-AWEZNQCLSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CN(C)C1CCC1 ZINC000900574232 586642644 /nfs/dbraw/zinc/64/26/44/586642644.db2.gz QEELOWYOCUTJLT-AWEZNQCLSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC000900574232 586642646 /nfs/dbraw/zinc/64/26/46/586642646.db2.gz QEELOWYOCUTJLT-AWEZNQCLSA-N 1 3 338.496 0.966 20 0 ECADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000900574232 586642647 /nfs/dbraw/zinc/64/26/47/586642647.db2.gz QEELOWYOCUTJLT-AWEZNQCLSA-N 1 3 338.496 0.966 20 0 ECADHO O=C(Cc1c[nH]cn1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000900688087 586656674 /nfs/dbraw/zinc/65/66/74/586656674.db2.gz XNVDVUNWGZCEIQ-UHFFFAOYSA-N 1 3 347.463 0.793 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000900980997 586680284 /nfs/dbraw/zinc/68/02/84/586680284.db2.gz PVFPOOXUKVUFEJ-NUJGCVRESA-N 1 3 341.496 0.839 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000900980997 586680286 /nfs/dbraw/zinc/68/02/86/586680286.db2.gz PVFPOOXUKVUFEJ-NUJGCVRESA-N 1 3 341.496 0.839 20 0 ECADHO CN1CCC[C@](O)(CC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000901162132 586699787 /nfs/dbraw/zinc/69/97/87/586699787.db2.gz LFCVEVIXTMPVBJ-HPFXQQBRSA-N 1 3 339.480 0.543 20 0 ECADHO CN(C)S(=O)(=O)N1CCC[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902384588 586736246 /nfs/dbraw/zinc/73/62/46/586736246.db2.gz NLFYXEFXUXCMIQ-UONOGXRCSA-N 1 3 332.514 0.625 20 0 ECADHO CCN(CC)CC(=O)N1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903736762 586805915 /nfs/dbraw/zinc/80/59/15/586805915.db2.gz MICWRPMJLLKHGW-FUHWJXTLSA-N 1 3 338.496 0.241 20 0 ECADHO COCCOCCOCCN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000903760938 586808171 /nfs/dbraw/zinc/80/81/71/586808171.db2.gz LKFWXBRTRPGISA-SJORKVTESA-N 1 3 330.469 0.884 20 0 ECADHO CNS(=O)(=O)C[C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903774871 586813819 /nfs/dbraw/zinc/81/38/19/586813819.db2.gz AUGQROBDWFTGQX-ILXRZTDVSA-N 1 3 331.482 0.016 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903777660 586814141 /nfs/dbraw/zinc/81/41/41/586814141.db2.gz CTODHTGPGUZPRF-ZFWWWQNUSA-N 1 3 345.447 0.314 20 0 ECADHO Cc1nc(CC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)no1 ZINC000903988652 586829709 /nfs/dbraw/zinc/82/97/09/586829709.db2.gz WAPBAJQXKLMJMR-HNNXBMFYSA-N 1 3 335.452 0.830 20 0 ECADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(CO)(C(F)(F)F)CC2)C1 ZINC000904429036 586837167 /nfs/dbraw/zinc/83/71/67/586837167.db2.gz VBLHTSBVELXATQ-LBPRGKRZSA-N 1 3 337.386 0.821 20 0 ECADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)C1 ZINC000904948360 586848080 /nfs/dbraw/zinc/84/80/80/586848080.db2.gz CPVFDFZZBFNVKN-HNNXBMFYSA-N 1 3 338.496 0.763 20 0 ECADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCC[C@@]12CC[NH2+]C2 ZINC000905010403 586860907 /nfs/dbraw/zinc/86/09/07/586860907.db2.gz GYCGTDQXIBRCGO-YJBOKZPZSA-N 1 3 334.464 0.428 20 0 ECADHO C[NH+](C)CCOc1cc(CNC[C@H](O)C2(O)CCOCC2)ccn1 ZINC000905188178 586875798 /nfs/dbraw/zinc/87/57/98/586875798.db2.gz DRMYBNZPJNYTGW-HNNXBMFYSA-N 1 3 339.436 0.014 20 0 ECADHO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)C1(O)CCC1 ZINC000905360348 586886486 /nfs/dbraw/zinc/88/64/86/586886486.db2.gz MLPBHQZPEMRJSD-BZSNNMDCSA-N 1 3 334.460 0.735 20 0 ECADHO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)C1(O)CCC1 ZINC000905360348 586886487 /nfs/dbraw/zinc/88/64/87/586886487.db2.gz MLPBHQZPEMRJSD-BZSNNMDCSA-N 1 3 334.460 0.735 20 0 ECADHO CN1CCC(n2cc(NC(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)cn2)CC1 ZINC000906699721 586968175 /nfs/dbraw/zinc/96/81/75/586968175.db2.gz DVFDRVRMLBSDIR-CQSZACIVSA-N 1 3 348.451 0.203 20 0 ECADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000906705354 586968808 /nfs/dbraw/zinc/96/88/08/586968808.db2.gz GGKUMAKTZICUEN-OAHLLOKOSA-N 1 3 348.447 0.810 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1)N1CCCCC1 ZINC000817767259 587383186 /nfs/dbraw/zinc/38/31/86/587383186.db2.gz PDYSJMNZGWAXNM-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO C[C@H](CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1)N1CCCCC1 ZINC000817767259 587383188 /nfs/dbraw/zinc/38/31/88/587383188.db2.gz PDYSJMNZGWAXNM-OAHLLOKOSA-N 1 3 338.496 0.968 20 0 ECADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000817946037 587392920 /nfs/dbraw/zinc/39/29/20/587392920.db2.gz QPDNAXVDRGXIDS-SFHVURJKSA-N 1 3 336.480 0.674 20 0 ECADHO C[C@@H]1CN(CCCCNC(=O)CO[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000844174511 589099028 /nfs/dbraw/zinc/09/90/28/589099028.db2.gz HZKJOBLLNUVKAD-OWCLPIDISA-N 1 3 327.469 0.761 20 0 ECADHO CC(C)OCCN1CCC(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844189312 589101415 /nfs/dbraw/zinc/10/14/15/589101415.db2.gz KWGIJGRABGWGKP-INIZCTEOSA-N 1 3 327.469 0.761 20 0 ECADHO COC(=O)[C@H]1[C@@H]2CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H]21 ZINC000820086377 587508167 /nfs/dbraw/zinc/50/81/67/587508167.db2.gz AXJXGEZVKOYGGQ-BYNSBNAKSA-N 1 3 340.468 0.319 20 0 ECADHO COC(=O)[C@H]1[C@@H]2CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H]21 ZINC000820086377 587508168 /nfs/dbraw/zinc/50/81/68/587508168.db2.gz AXJXGEZVKOYGGQ-BYNSBNAKSA-N 1 3 340.468 0.319 20 0 ECADHO C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821582964 587602188 /nfs/dbraw/zinc/60/21/88/587602188.db2.gz DHACFHYUAWVUKD-UHFFFAOYSA-N 1 3 329.452 0.982 20 0 ECADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000827936572 588147819 /nfs/dbraw/zinc/14/78/19/588147819.db2.gz PAFDLMFYVJLXOL-BZUAXINKSA-N 1 3 333.436 0.401 20 0 ECADHO C[C@H]1CN(C(=[NH2+])NCc2ccccc2CN2CC[C@@H](O)C2)CCO1 ZINC000849093645 589319777 /nfs/dbraw/zinc/31/97/77/589319777.db2.gz DCLDFPYMNDTAFL-WMLDXEAASA-N 1 3 332.448 0.998 20 0 ECADHO NCC12CC(C1)CN2C(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000851686015 589413973 /nfs/dbraw/zinc/41/39/73/589413973.db2.gz IWYOZWNYFNMWEY-UHFFFAOYSA-N 1 3 348.491 0.849 20 0 ECADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000851688605 589414811 /nfs/dbraw/zinc/41/48/11/589414811.db2.gz DPXBZHAJUPFVRD-HOCLYGCPSA-N 1 3 332.448 0.225 20 0 ECADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000851691162 589415391 /nfs/dbraw/zinc/41/53/91/589415391.db2.gz LVRNFCKAJQSIPP-MAUKXSAKSA-N 1 3 336.480 0.578 20 0 ECADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC(C[NH2+]C)CC2)CC1 ZINC000852740642 589509357 /nfs/dbraw/zinc/50/93/57/589509357.db2.gz HKYRVZITAXUFLB-AWEZNQCLSA-N 1 3 340.468 0.607 20 0 ECADHO [NH3+]C[C@@H]1CC(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)=NO1 ZINC000852863932 589519647 /nfs/dbraw/zinc/51/96/47/589519647.db2.gz LOCQAWOMDDBNFK-INIZCTEOSA-N 1 3 346.431 0.933 20 0 ECADHO CC(C)(C)N1CCC([NH2+]C[C@@]23COCCN2C(=O)COC3)CC1 ZINC000866556522 589750934 /nfs/dbraw/zinc/75/09/34/589750934.db2.gz UTCYIRJBTNIMQS-KRWDZBQOSA-N 1 3 325.453 0.467 20 0 ECADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOC(=O)N1 ZINC000859039577 589795027 /nfs/dbraw/zinc/79/50/27/589795027.db2.gz HYJOEAJBEVQJIQ-KBPBESRZSA-N 1 3 326.441 0.359 20 0 ECADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOC(=O)N1 ZINC000859039577 589795030 /nfs/dbraw/zinc/79/50/30/589795030.db2.gz HYJOEAJBEVQJIQ-KBPBESRZSA-N 1 3 326.441 0.359 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867623270 589816889 /nfs/dbraw/zinc/81/68/89/589816889.db2.gz DDDWNQCZFJETGU-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867623270 589816891 /nfs/dbraw/zinc/81/68/91/589816891.db2.gz DDDWNQCZFJETGU-CVEARBPZSA-N 1 3 336.480 0.483 20 0 ECADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000861743111 589885248 /nfs/dbraw/zinc/88/52/48/589885248.db2.gz PHXCKENOMPYQME-CYBMUJFWSA-N 1 3 336.436 0.049 20 0 ECADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000861756026 589888223 /nfs/dbraw/zinc/88/82/23/589888223.db2.gz SJPZZIUMDRHMDC-LSDHHAIUSA-N 1 3 326.485 0.665 20 0 ECADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868380420 589899041 /nfs/dbraw/zinc/89/90/41/589899041.db2.gz CEAAKYRXXJGGIY-GOSISDBHSA-N 1 3 338.496 0.763 20 0 ECADHO CN1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCC1(C)C ZINC000868407256 589902672 /nfs/dbraw/zinc/90/26/72/589902672.db2.gz TXYYQAFZYVURJG-GOSISDBHSA-N 1 3 336.480 0.531 20 0 ECADHO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCCN2CC[C@@H](O)C2)cc1 ZINC000863320306 590003261 /nfs/dbraw/zinc/00/32/61/590003261.db2.gz ARUHJMNGHMEZMH-CTEOGUNLSA-N 1 3 347.459 0.823 20 0 ECADHO Cn1cncc1CCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863548242 590022360 /nfs/dbraw/zinc/02/23/60/590022360.db2.gz OSWSROSUIKDMBG-CVEARBPZSA-N 1 3 333.436 0.610 20 0 ECADHO [NH3+]C[C@@H]1CN(S(=O)(=O)CCCN2CCCC2)C[C@H]1C(F)(F)F ZINC000871813388 590089024 /nfs/dbraw/zinc/08/90/24/590089024.db2.gz RDMPJDVJUGUODZ-VXGBXAGGSA-N 1 3 343.415 0.871 20 0 ECADHO CCN1CCC(NC(=O)CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872151803 590098383 /nfs/dbraw/zinc/09/83/83/590098383.db2.gz NHONHMWWDXOQPU-WCQYABFASA-N 1 3 336.402 0.656 20 0 ECADHO CNS(=O)(=O)c1ccc(CCNC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000872234892 590107150 /nfs/dbraw/zinc/10/71/50/590107150.db2.gz JCGBCLQZZDKIIM-HNNXBMFYSA-N 1 3 341.477 0.182 20 0 ECADHO CNS(=O)(=O)c1ccc(CCNC[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000872234892 590107153 /nfs/dbraw/zinc/10/71/53/590107153.db2.gz JCGBCLQZZDKIIM-HNNXBMFYSA-N 1 3 341.477 0.182 20 0 ECADHO CC(C)CC[C@H](N)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872253726 590108035 /nfs/dbraw/zinc/10/80/35/590108035.db2.gz FFUIQFSIEHXBHO-ZNMIVQPWSA-N 1 3 338.452 0.534 20 0 ECADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000872254422 590108296 /nfs/dbraw/zinc/10/82/96/590108296.db2.gz CPNWIRPSGQXDFO-VNQPRFMTSA-N 1 3 327.388 0.930 20 0 ECADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304592 590112692 /nfs/dbraw/zinc/11/26/92/590112692.db2.gz ZBILPBUYBXQMKZ-XQLPTFJDSA-N 1 3 336.436 0.254 20 0 ECADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000872306148 590113142 /nfs/dbraw/zinc/11/31/42/590113142.db2.gz XZDZFDFCROOTHU-MJQMVNBJSA-N 1 3 329.444 0.997 20 0 ECADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000874991990 590261260 /nfs/dbraw/zinc/26/12/60/590261260.db2.gz UVANNNSTJGTALQ-UHFFFAOYSA-N 1 3 338.496 0.824 20 0 ECADHO COC[C@]1(CN(C)C)COCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000876475651 590379835 /nfs/dbraw/zinc/37/98/35/590379835.db2.gz PLBGOSQGRUYPQN-GOSISDBHSA-N 1 3 341.496 0.912 20 0 ECADHO COc1ccc([C@H](CNC(=O)[C@@H](N)C[NH+](C)C)N2CCCC2)cc1 ZINC000876710609 590401399 /nfs/dbraw/zinc/40/13/99/590401399.db2.gz MILLXZMXRZQOCI-IRXDYDNUSA-N 1 3 334.464 0.837 20 0 ECADHO C[C@H]([NH2+]C1(CNC(=O)[C@@H](N)CN(C)C)CCOCC1)c1ccccc1 ZINC000876766232 590411623 /nfs/dbraw/zinc/41/16/23/590411623.db2.gz FVSRBFFQGDDIOZ-RDJZCZTQSA-N 1 3 348.491 0.892 20 0 ECADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1=NO[C@H](CN)C1 ZINC000877134596 590440167 /nfs/dbraw/zinc/44/01/67/590440167.db2.gz VCNXQAQAKVKOMZ-KBMXLJTQSA-N 1 3 330.432 0.974 20 0 ECADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1=NO[C@H](CN)C1 ZINC000877134596 590440169 /nfs/dbraw/zinc/44/01/69/590440169.db2.gz VCNXQAQAKVKOMZ-KBMXLJTQSA-N 1 3 330.432 0.974 20 0 ECADHO CCO[C@H](CC[NH+](C)C)CNCc1cccc(S(N)(=O)=O)c1 ZINC000877159339 590441628 /nfs/dbraw/zinc/44/16/28/590441628.db2.gz WCSOHBDWXUYOAE-CQSZACIVSA-N 1 3 329.466 0.780 20 0 ECADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000877200955 590444881 /nfs/dbraw/zinc/44/48/81/590444881.db2.gz SLFFBZRTHXGQGX-INIZCTEOSA-N 1 3 326.485 0.713 20 0 ECADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)c2)nn1 ZINC000877207467 590445122 /nfs/dbraw/zinc/44/51/22/590445122.db2.gz XRTWEAYSWVNUOT-IAGOWNOFSA-N 1 3 340.431 0.873 20 0 ECADHO CCN1CCN(CCC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000877331407 590458013 /nfs/dbraw/zinc/45/80/13/590458013.db2.gz OIDDJMBJHWKJRK-MRXNPFEDSA-N 1 3 338.496 0.289 20 0 ECADHO C[NH+]1CCC(NC(=O)CN2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000878559747 590528557 /nfs/dbraw/zinc/52/85/57/590528557.db2.gz QVLKQIQRKHKQGY-INIZCTEOSA-N 1 3 338.496 0.241 20 0 ECADHO NC(=O)[C@@](O)(C[N@@H+]1CCCN(c2ccncc2)CC1)c1ccccc1 ZINC000878748705 590539448 /nfs/dbraw/zinc/53/94/48/590539448.db2.gz XYDVZOSNASKDOT-LJQANCHMSA-N 1 3 340.427 0.967 20 0 ECADHO NC(=O)[C@@](O)(C[N@H+]1CCCN(c2ccncc2)CC1)c1ccccc1 ZINC000878748705 590539449 /nfs/dbraw/zinc/53/94/49/590539449.db2.gz XYDVZOSNASKDOT-LJQANCHMSA-N 1 3 340.427 0.967 20 0 ECADHO C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCN1c1ccncc1 ZINC000883638031 590636680 /nfs/dbraw/zinc/63/66/80/590636680.db2.gz BFDKIKJOZNQXRV-GOEBONIOSA-N 1 3 345.447 0.459 20 0 ECADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC000883639715 590637603 /nfs/dbraw/zinc/63/76/03/590637603.db2.gz XBRYTZQZVZBDGS-GJZGRUSLSA-N 1 3 345.447 0.187 20 0 ECADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCNCCC34CCC4)C2)C1 ZINC000883659129 590646236 /nfs/dbraw/zinc/64/62/36/590646236.db2.gz YAFUANGYUJOKHC-GOSISDBHSA-N 1 3 348.491 0.675 20 0 ECADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCNCCC34CCC4)C2)C1 ZINC000883659129 590646240 /nfs/dbraw/zinc/64/62/40/590646240.db2.gz YAFUANGYUJOKHC-GOSISDBHSA-N 1 3 348.491 0.675 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884969037 590657587 /nfs/dbraw/zinc/65/75/87/590657587.db2.gz YQLMZBIOAUDOQP-HNNXBMFYSA-N 1 3 338.496 0.824 20 0 ECADHO C[C@@H](CNC(=O)c1ccnc(N2CCNCC2)c1)C[NH+]1CCCC1 ZINC000884195275 590770326 /nfs/dbraw/zinc/77/03/26/590770326.db2.gz IARSIVBUVCOPEL-HNNXBMFYSA-N 1 3 331.464 0.953 20 0 ECADHO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccnc(N2CCNCC2)c1 ZINC000884376522 590815696 /nfs/dbraw/zinc/81/56/96/590815696.db2.gz KGTPXVXNXUMFOQ-HNNXBMFYSA-N 1 3 329.448 0.896 20 0 ECADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000884518720 590849013 /nfs/dbraw/zinc/84/90/13/590849013.db2.gz YDJFNJZOVYPHLX-UKRRQHHQSA-N 1 3 348.447 0.191 20 0 ECADHO CCN(CCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000884601661 590868076 /nfs/dbraw/zinc/86/80/76/590868076.db2.gz RVACKDBHIPZGKP-UHFFFAOYSA-N 1 3 344.459 0.549 20 0 ECADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884618012 590873505 /nfs/dbraw/zinc/87/35/05/590873505.db2.gz VQPPRTLWKNQXAB-LSDHHAIUSA-N 1 3 338.496 0.871 20 0 ECADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884656769 590884838 /nfs/dbraw/zinc/88/48/38/590884838.db2.gz STOGJXRVDJSJDH-UHFFFAOYSA-N 1 3 342.484 0.236 20 0 ECADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884659174 590885639 /nfs/dbraw/zinc/88/56/39/590885639.db2.gz KDDSSEZAYLNWLW-CQSZACIVSA-N 1 3 326.485 0.729 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000884694819 590900159 /nfs/dbraw/zinc/90/01/59/590900159.db2.gz YOEXPUXYUYXYHF-CABCVRRESA-N 1 3 345.447 0.377 20 0 ECADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884720923 590908470 /nfs/dbraw/zinc/90/84/70/590908470.db2.gz WSOOEWLHHHDMTA-YCPHGPKFSA-N 1 3 345.447 0.233 20 0 ECADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886957810 590908592 /nfs/dbraw/zinc/90/85/92/590908592.db2.gz ZZWVPQTVEBZNPT-LLVKDONJSA-N 1 3 330.383 0.811 20 0 ECADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000884781249 590921702 /nfs/dbraw/zinc/92/17/02/590921702.db2.gz BUAXXRXDADAKLS-CQSZACIVSA-N 1 3 345.447 0.506 20 0 ECADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000884781248 590921852 /nfs/dbraw/zinc/92/18/52/590921852.db2.gz BUAXXRXDADAKLS-AWEZNQCLSA-N 1 3 345.447 0.506 20 0 ECADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000884786183 590923563 /nfs/dbraw/zinc/92/35/63/590923563.db2.gz LGFCLDQSXXGKFJ-HNNXBMFYSA-N 1 3 338.496 0.953 20 0 ECADHO O=C(C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000887081316 590939700 /nfs/dbraw/zinc/93/97/00/590939700.db2.gz QIECOGKKCFENFC-APWZRJJASA-N 1 3 348.491 0.675 20 0 ECADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cn1 ZINC000887923390 591020270 /nfs/dbraw/zinc/02/02/70/591020270.db2.gz ZESZXQWDKSRHBP-DFEOGRTESA-N 1 3 345.491 0.866 20 0 ECADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cn1 ZINC000887923390 591020274 /nfs/dbraw/zinc/02/02/74/591020274.db2.gz ZESZXQWDKSRHBP-DFEOGRTESA-N 1 3 345.491 0.866 20 0 ECADHO CN(CCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1cc[nH+]cc1 ZINC000889760203 591084631 /nfs/dbraw/zinc/08/46/31/591084631.db2.gz CKSMGNQDNRHMFH-DLBZAZTESA-N 1 3 332.448 0.966 20 0 ECADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623737 611370575 /nfs/dbraw/zinc/37/05/75/611370575.db2.gz PBKBXPBVNWGLAS-HNKHHVNMSA-N 1 3 336.480 0.371 20 0 ECADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623737 611370580 /nfs/dbraw/zinc/37/05/80/611370580.db2.gz PBKBXPBVNWGLAS-HNKHHVNMSA-N 1 3 336.480 0.371 20 0 ECADHO CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCN1CC)C[NH+](C)C ZINC000929956954 611371499 /nfs/dbraw/zinc/37/14/99/611371499.db2.gz XOPWSBXZMIUAQJ-LSDHHAIUSA-N 1 3 342.484 0.060 20 0 ECADHO COCCN1CCC(N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924513648 611410357 /nfs/dbraw/zinc/41/03/57/611410357.db2.gz PFWSQZCBQVFHNB-HNNXBMFYSA-N 1 3 338.452 0.504 20 0 ECADHO CN1C[C@H](O)C[C@H]1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000924983863 611445873 /nfs/dbraw/zinc/44/58/73/611445873.db2.gz KOVRSWUQCLJCBC-LSDHHAIUSA-N 1 3 325.453 0.203 20 0 ECADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000925331306 611470850 /nfs/dbraw/zinc/47/08/50/611470850.db2.gz IIXNGKBRSDWNFQ-SQWLQELKSA-N 1 3 326.485 0.813 20 0 ECADHO C(CN1CC[C@H](C2OCCO2)C1)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000308 611591968 /nfs/dbraw/zinc/59/19/68/611591968.db2.gz CBTPVKDSSDEXLK-GJZGRUSLSA-N 1 3 326.437 0.766 20 0 ECADHO C(CN1CC[C@H](C2OCCO2)C1)C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000308 611591969 /nfs/dbraw/zinc/59/19/69/611591969.db2.gz CBTPVKDSSDEXLK-GJZGRUSLSA-N 1 3 326.437 0.766 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000928104587 608676948 /nfs/dbraw/zinc/67/69/48/608676948.db2.gz PCXUFZCHYOXNKN-QLFBSQMISA-N 1 3 327.494 0.651 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928104587 608676950 /nfs/dbraw/zinc/67/69/50/608676950.db2.gz PCXUFZCHYOXNKN-QLFBSQMISA-N 1 3 327.494 0.651 20 0 ECADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928104587 608676952 /nfs/dbraw/zinc/67/69/52/608676952.db2.gz PCXUFZCHYOXNKN-QLFBSQMISA-N 1 3 327.494 0.651 20 0 ECADHO C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCn1cncn1 ZINC000947497356 608816382 /nfs/dbraw/zinc/81/63/82/608816382.db2.gz HVXYEUJVCJHHGY-JKSUJKDBSA-N 1 3 346.479 0.876 20 0 ECADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000936083509 609071978 /nfs/dbraw/zinc/07/19/78/609071978.db2.gz XXXZDXSQKRXJHM-INIZCTEOSA-N 1 3 338.496 0.728 20 0 ECADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC000937940535 609410462 /nfs/dbraw/zinc/41/04/62/609410462.db2.gz HTKQLIWRJRWOHX-JKSUJKDBSA-N 1 3 338.496 0.776 20 0 ECADHO CN(CC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CCC1 ZINC000938008223 609457044 /nfs/dbraw/zinc/45/70/44/609457044.db2.gz OAZAKKWEUTWNJG-RDJZCZTQSA-N 1 3 348.491 0.530 20 0 ECADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC000907716843 609616659 /nfs/dbraw/zinc/61/66/59/609616659.db2.gz MIWLOBSKVOPHRU-KBPBESRZSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000907716843 609616661 /nfs/dbraw/zinc/61/66/61/609616661.db2.gz MIWLOBSKVOPHRU-KBPBESRZSA-N 1 3 338.496 0.964 20 0 ECADHO C[C@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000938307171 609662202 /nfs/dbraw/zinc/66/22/02/609662202.db2.gz QEBIEBUNGUSKQP-HOTGVXAUSA-N 1 3 348.491 0.674 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000921111999 609698570 /nfs/dbraw/zinc/69/85/70/609698570.db2.gz NAYAVHIAEXEBPC-BZUAXINKSA-N 1 3 327.469 0.306 20 0 ECADHO COCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000921112005 609698779 /nfs/dbraw/zinc/69/87/79/609698779.db2.gz NAYAVHIAEXEBPC-XHSDSOJGSA-N 1 3 327.469 0.306 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000938402540 609779055 /nfs/dbraw/zinc/77/90/55/609779055.db2.gz WNOMNBAOBAAERC-LSDHHAIUSA-N 1 3 336.480 0.672 20 0 ECADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000910961157 609783231 /nfs/dbraw/zinc/78/32/31/609783231.db2.gz AHAOAMDAROVDKO-OIISXLGYSA-N 1 3 346.475 0.329 20 0 ECADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000910969768 609785609 /nfs/dbraw/zinc/78/56/09/609785609.db2.gz GWHWFMJTOXVNDB-IAGOWNOFSA-N 1 3 346.475 0.473 20 0 ECADHO CN(CCNC(=O)C(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1)C1CC1 ZINC000911053170 609795174 /nfs/dbraw/zinc/79/51/74/609795174.db2.gz NFMUNWVPSULVAY-HNNXBMFYSA-N 1 3 336.480 0.707 20 0 ECADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911030232 609796876 /nfs/dbraw/zinc/79/68/76/609796876.db2.gz TZVDSMDGKDSFDM-LVQVYYBASA-N 1 3 338.496 0.666 20 0 ECADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911161785 609817633 /nfs/dbraw/zinc/81/76/33/609817633.db2.gz MKZNXAZJJPLXJD-MAUKXSAKSA-N 1 3 336.480 0.722 20 0 ECADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911161543 609817714 /nfs/dbraw/zinc/81/77/14/609817714.db2.gz LRVUTONHBUGDAN-CRAIPNDOSA-N 1 3 336.480 0.564 20 0 ECADHO C[C@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C(C)(C)C[NH+](C)C ZINC000911197052 609829108 /nfs/dbraw/zinc/82/91/08/609829108.db2.gz DDWDWHWVPRZXDV-APHBMKBZSA-N 1 3 346.475 0.820 20 0 ECADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000911298681 609841396 /nfs/dbraw/zinc/84/13/96/609841396.db2.gz STWQLFYSYGDDDM-OLZOCXBDSA-N 1 3 342.484 0.262 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911324550 609847842 /nfs/dbraw/zinc/84/78/42/609847842.db2.gz FPNZKZUADSWGQE-GJYPPUQNSA-N 1 3 348.491 0.864 20 0 ECADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911325339 609848226 /nfs/dbraw/zinc/84/82/26/609848226.db2.gz RCEZCXHFWXKCSQ-RVKKMQEKSA-N 1 3 334.464 0.474 20 0 ECADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000911357613 609855483 /nfs/dbraw/zinc/85/54/83/609855483.db2.gz GHTKMKNGMDLUKQ-QDMKHBRRSA-N 1 3 336.480 0.481 20 0 ECADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911433367 609871596 /nfs/dbraw/zinc/87/15/96/609871596.db2.gz YLYPUTFFLCINHZ-CRAIPNDOSA-N 1 3 336.480 0.579 20 0 ECADHO CN1CCN(C(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CCC1(C)C ZINC000911432252 609871644 /nfs/dbraw/zinc/87/16/44/609871644.db2.gz MWMNYXHAJBYOSJ-RDTXWAMCSA-N 1 3 336.480 0.578 20 0 ECADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000911441720 609873270 /nfs/dbraw/zinc/87/32/70/609873270.db2.gz RJRKIMRDEQMVGS-CRAIPNDOSA-N 1 3 336.480 0.578 20 0 ECADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911515651 609888628 /nfs/dbraw/zinc/88/86/28/609888628.db2.gz CYPGMJISHLGGBC-HZPDHXFCSA-N 1 3 332.448 0.575 20 0 ECADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517559 609890005 /nfs/dbraw/zinc/89/00/05/609890005.db2.gz VYXQBPYJJYCPRA-IAGOWNOFSA-N 1 3 344.459 0.528 20 0 ECADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000916073031 609930831 /nfs/dbraw/zinc/93/08/31/609930831.db2.gz KMKRBMPQZNUGGH-AWEZNQCLSA-N 1 3 339.484 0.323 20 0 ECADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000938914241 610041316 /nfs/dbraw/zinc/04/13/16/610041316.db2.gz RUUZIMFJGFRGSY-CQSZACIVSA-N 1 3 331.420 0.107 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000939910393 610169843 /nfs/dbraw/zinc/16/98/43/610169843.db2.gz MPYPFRSJCSHUDW-HRCADAONSA-N 1 3 347.463 0.742 20 0 ECADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000939910393 610169845 /nfs/dbraw/zinc/16/98/45/610169845.db2.gz MPYPFRSJCSHUDW-HRCADAONSA-N 1 3 347.463 0.742 20 0 ECADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939547591 610230092 /nfs/dbraw/zinc/23/00/92/610230092.db2.gz YCENOXZKLMGWBA-CZUORRHYSA-N 1 3 331.464 0.761 20 0 ECADHO CCCCN1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941410615 610301683 /nfs/dbraw/zinc/30/16/83/610301683.db2.gz JPDWLGQBJLQYMA-SFHVURJKSA-N 1 3 334.508 0.957 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)CC[N@@H+]1C ZINC000941412533 610302634 /nfs/dbraw/zinc/30/26/34/610302634.db2.gz JQDNVICKXDJRNG-CRAIPNDOSA-N 1 3 334.508 0.955 20 0 ECADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)CC[N@H+]1C ZINC000941412533 610302636 /nfs/dbraw/zinc/30/26/36/610302636.db2.gz JQDNVICKXDJRNG-CRAIPNDOSA-N 1 3 334.508 0.955 20 0 ECADHO C[NH+]1CCC(CC(=O)N2CCN(C3CN(CC4CC4)C3)CC2)CC1 ZINC000941595135 610390321 /nfs/dbraw/zinc/39/03/21/610390321.db2.gz FBDVVALCEYWZBM-UHFFFAOYSA-N 1 3 334.508 0.957 20 0 ECADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000940951611 610444466 /nfs/dbraw/zinc/44/44/66/610444466.db2.gz DNZPYOMPICGGQL-HZPDHXFCSA-N 1 3 348.491 0.674 20 0 ECADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942798984 610626513 /nfs/dbraw/zinc/62/65/13/610626513.db2.gz QVUDESODBNFPDL-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942798984 610626514 /nfs/dbraw/zinc/62/65/14/610626514.db2.gz QVUDESODBNFPDL-JKSUJKDBSA-N 1 3 336.480 0.483 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000942816785 610639134 /nfs/dbraw/zinc/63/91/34/610639134.db2.gz XJXGNSOJULKQSF-FVQBIDKESA-N 1 3 347.463 0.742 20 0 ECADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000942816785 610639136 /nfs/dbraw/zinc/63/91/36/610639136.db2.gz XJXGNSOJULKQSF-FVQBIDKESA-N 1 3 347.463 0.742 20 0 ECADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000944184608 610774527 /nfs/dbraw/zinc/77/45/27/610774527.db2.gz BSQXLAMTWPYBTF-BRWVUGGUSA-N 1 3 348.491 0.530 20 0 ECADHO COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@H]1C ZINC000923200709 611213561 /nfs/dbraw/zinc/21/35/61/611213561.db2.gz BUEQUQONBWEBAG-ILXRZTDVSA-N 1 3 342.484 0.709 20 0 ECADHO COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@H]1C ZINC000923200709 611213562 /nfs/dbraw/zinc/21/35/62/611213562.db2.gz BUEQUQONBWEBAG-ILXRZTDVSA-N 1 3 342.484 0.709 20 0 ECADHO Cc1cc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1C ZINC000923198618 611213629 /nfs/dbraw/zinc/21/36/29/611213629.db2.gz JBQBEIKABUWYQL-AWEZNQCLSA-N 1 3 338.500 0.842 20 0 ECADHO Cc1cc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1C ZINC000923198618 611213631 /nfs/dbraw/zinc/21/36/31/611213631.db2.gz JBQBEIKABUWYQL-AWEZNQCLSA-N 1 3 338.500 0.842 20 0 ECADHO COC(=O)c1cn([C@@H]2CCCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923375993 611234982 /nfs/dbraw/zinc/23/49/82/611234982.db2.gz GYVSMVHHCDXPKT-CHWSQXEVSA-N 1 3 335.408 0.080 20 0 ECADHO CCCCOC[C@@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397472 611238023 /nfs/dbraw/zinc/23/80/23/611238023.db2.gz CANYTLRXYVFCTO-XHSDSOJGSA-N 1 3 341.452 0.421 20 0 ECADHO CC(C)OCC[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413495 611240696 /nfs/dbraw/zinc/24/06/96/611240696.db2.gz GJZQVGIOELAFNC-XQLPTFJDSA-N 1 3 327.425 0.029 20 0 ECADHO COC(=O)c1cncc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000923430819 611242750 /nfs/dbraw/zinc/24/27/50/611242750.db2.gz KRMYXMJJPBXNDH-WBVHZDCISA-N 1 3 346.431 0.605 20 0 ECADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@H]21 ZINC000933855807 611754320 /nfs/dbraw/zinc/75/43/20/611754320.db2.gz OYPLXQXRBGFWFE-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@H]21 ZINC000933855807 611754323 /nfs/dbraw/zinc/75/43/23/611754323.db2.gz OYPLXQXRBGFWFE-HUUCEWRRSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)N1CCCCC1 ZINC000929609955 611770248 /nfs/dbraw/zinc/77/02/48/611770248.db2.gz YHJHODKFIFGKHL-RLFYNMQTSA-N 1 3 336.480 0.387 20 0 ECADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)N1CCCCC1 ZINC000929609955 611770250 /nfs/dbraw/zinc/77/02/50/611770250.db2.gz YHJHODKFIFGKHL-RLFYNMQTSA-N 1 3 336.480 0.387 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2CCN(CC[C@@H]3CCCO3)CC2)C1 ZINC000949840382 611777378 /nfs/dbraw/zinc/77/73/78/611777378.db2.gz AVHBNRBJBKQLSH-IRXDYDNUSA-N 1 3 339.480 0.809 20 0 ECADHO CC(C)N1CCO[C@H](C(=O)N2CC[NH+](CC[C@@H]3CCCO3)CC2)C1 ZINC000949840382 611777382 /nfs/dbraw/zinc/77/73/82/611777382.db2.gz AVHBNRBJBKQLSH-IRXDYDNUSA-N 1 3 339.480 0.809 20 0 ECADHO CC[C@H](C(=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000949112996 611859152 /nfs/dbraw/zinc/85/91/52/611859152.db2.gz FBVPTFOGESIGID-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO CC[C@H](C(=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000949112996 611859154 /nfs/dbraw/zinc/85/91/54/611859154.db2.gz FBVPTFOGESIGID-HZPDHXFCSA-N 1 3 338.496 0.633 20 0 ECADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000949553842 612030209 /nfs/dbraw/zinc/03/02/09/612030209.db2.gz ZGMYBVDMANNRLE-BBRMVZONSA-N 1 3 347.463 0.505 20 0 ECADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000949553842 612030211 /nfs/dbraw/zinc/03/02/11/612030211.db2.gz ZGMYBVDMANNRLE-BBRMVZONSA-N 1 3 347.463 0.505 20 0 ECADHO CN(C)[C@@H](C(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000951239426 612097850 /nfs/dbraw/zinc/09/78/50/612097850.db2.gz VXGPPMLUXBNURY-HUUCEWRRSA-N 1 3 334.464 0.140 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000953905371 612421274 /nfs/dbraw/zinc/42/12/74/612421274.db2.gz YDJATDNDQISIMP-OFQRWUPVSA-N 1 3 336.480 0.480 20 0 ECADHO C[C@H]1C[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000953905371 612421276 /nfs/dbraw/zinc/42/12/76/612421276.db2.gz YDJATDNDQISIMP-OFQRWUPVSA-N 1 3 336.480 0.480 20 0 ECADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000953906861 612426327 /nfs/dbraw/zinc/42/63/27/612426327.db2.gz PFXHSSAGYFMRAD-INIZCTEOSA-N 1 3 336.480 0.626 20 0 ECADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954722885 612603199 /nfs/dbraw/zinc/60/31/99/612603199.db2.gz IHYHVMSELSGCTO-INIZCTEOSA-N 1 3 347.463 0.742 20 0 ECADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954722885 612603202 /nfs/dbraw/zinc/60/32/02/612603202.db2.gz IHYHVMSELSGCTO-INIZCTEOSA-N 1 3 347.463 0.742 20 0 ECADHO CN(C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954286804 612823667 /nfs/dbraw/zinc/82/36/67/612823667.db2.gz VNXPSQRLPJFQSO-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO CN(C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954286804 612823668 /nfs/dbraw/zinc/82/36/68/612823668.db2.gz VNXPSQRLPJFQSO-JKSUJKDBSA-N 1 3 348.491 0.626 20 0 ECADHO